A0A096MSZ8_PAPAN Loading...

Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2

AlphaFold DB (A0A2K5N1I5), UniProt , Accession A0A096MSZ8, Species PAPAN (Papio anubis, Olive baboon), Gene INPPL1, Length 1,258 aa.

						>A0A096MSZ8_PAPAN|A0A096MSZ8|INPPL1
MASACGAPGPGGALGSQAPSWYHRDLSRAAAEELLARAGRDGSFLVRDSESVAGAFALCVLYQKHVHTYRILPDGEDFLAVQTSQGVPVRRFQTLGELIGLYAQPNQGLVCALLLPVEGEREPDPPDDRDASDGEDEKPPLPPRSGSTSISATTGPSSPLSVPETPTTPAAESAPNGLSTVSHEYLKGSYGLDLEAVRGGASHLPHLTRTLATSCRRLHSEVDKVLSGLEILSKVFDQQSSPMVTRLLQQQNLPQTGEQELESLVLKLSVLKDFLSGIQKKALKALQDMSSTAPPAPQPSTRKAKTIPVQAFEVKLDVTLGDLTKIGKSQKFTLSVDVEGGRLVLLRRQRDSQEDWTTFTHDRIRQLIKSQRVQNKLGVVFEKEKDRTQRKDFIFVSARKREAFCQLLQLMKNKHSKQDEPDMISIFIGTWNMGSVPPPKNVTSWFTSKGLGKTLDEVTVTIPHDIYVFGTQENSVGDREWLDLLRGGLKELTDLDYRPIAMQSLWNIKVAVLVKPEHENRISHVSTSSVKTGIANTLGNKGAVGVSFMFNGTSFGFVNCHLTSGNEKTARRNQNYLDILRLLSLGDRQLSAFDISLRFTHLFWFGDLNYRLDMDIQEILNYISRKEFEPLLRVDQLNLEREKHKVFLRFSEEEISFPPTYRYERGSRDTYAWHKQKPTGVRTNVPSWCDRILWKSYPETHIICNSYGCTDDIVTSDHSPVFGTFEVGVTSQFISKKGLSKTSDQAYIEFESIEAIVKTASRTKFFIEFYSTCLEEYKKSFENDAQSSDNINFLKVQWSSRQLPTLKPILADIEYLQDQHLLLTVKSMDGYESYGECVVALKSMIGSTAQQFLTFLSHRGEETGNIRGSMKVRVPTERLGTRERLYEWISIDKDEAGAKSKAPSVSRGIQEPRSGSRKPAFTEASCPLSRLFEEPEKPPPTGRPPAPPRAAPREEPLTPRLKPEGAPEPEGVAAPPPKNSFNNPAYYVLEGVPHQLLPPEPPSPARAPVPPATKNKVAITVPAPQLGRHRPPRVGEGSSSDEESGGTLPPPDFPPPPLPDSAIFLSPSLDPLPGPVVRGRGGGEARGPPPPKAHPRPPLPPGPSPASTFLGEVAGGDDRSCSVLQMAKTLSEVDYAPAGPARSALLPGPLELQPHRGLSSDYGRPLSFPPPRIRESIQEDLAEEAPCPQGGRASGLGEAGMGAWLRAIGLERYEEGLVHNGWDDLEFLSDITEEDLEEAGVQDPAHKRLLLDTLQLSK
					

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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	31.2	Very low	31.6	Very low	248 Å²	248	115.7 Å²	115.7	100%	1.222	85%	0.846	S	S	*	*				0	153.1	0	-59.9	172.5	-178.8	0	0	108
2	A	31.3	Very low	31	Very low	91 Å²	91	113.3 Å²	113.3	75%	0.752	85%	0.85	S	S	*	*			cis	178	115.9	-40.9	0	0	0	0	0	108.5
3	S	31.8	Very low	30.6	Very low	131 Å²	131	112.4 Å²	112.4	92%	0.916	85%	0.849	S	S	*	*			trans	67.1	164.1	169.9	-121.7	0	0	0	0	116.2
4	A	30.3	Very low	30.6	Very low	73 Å²	73	117.3 Å²	117.3	60%	0.603	86%	0.856	S	S	*	*			cis	-152	169.4	3.3	0	0	0	0	0	112.5
5	C	27.4	Very low	31	Very low	134 Å²	134	114.9 Å²	114.9	91%	0.905	86%	0.855	S	S	*	*			trans	66.6	154.4	162.5	-57.4	0	0	0	0	117.1
6	G	26	Very low	31.1	Very low	72 Å²	72	115.1 Å²	115.1	74%	0.742	85%	0.853	S	S	*	*			cis	170.5	137.1	-7.1	0	0	0	0	0	110.4
7	A	31.5	Very low	32	Very low	104 Å²	104	118.5 Å²	118.5	86%	0.86	85%	0.851	S	S	*	*			trans	-87.6	144.2	-172.4	0	0	0	0	0	113.8
8	P	31.1	Very low	33.4	Very low	126 Å²	126	115.7 Å²	115.7	82%	0.818	83%	0.834	S	S	*	*			trans	-90.9	139.6	161.6	34.1	-30	0	0	0	112
9	G	26.6	Very low	35.5	Very low	71 Å²	71	112.5 Å²	112.5	73%	0.732	81%	0.809	S	S	*	*			trans	-84.9	179.6	171.1	0	0	0	0	0	113.8
10	P	55.1	Low	37.5	Very low	141 Å²	141	109.5 Å²	109.5	92%	0.916	79%	0.787	S	S	*	*			trans	-86.9	153	-164.2	34.1	-36.8	0	0	0	115
11	G	25.5	Very low	39.9	Very low	82 Å²	82	106.1 Å²	106.1	85%	0.845	76%	0.757	S	S	*	*			trans	177.4	85.7	170.4	0	0	0	0	0	118
12	G	24.2	Very low	42.7	Very low	86 Å²	86	96 Å²	96	89%	0.887	71%	0.705	S	S	*	*			trans	84.5	95.1	137.6	0	0	0	0	0	121.3
13	A	25.5	Very low	45.5	Very low	102 Å²	102	92.9 Å²	92.9	84%	0.843	68%	0.675	S	S	*	*			trans	-156.1	151.6	138.5	0	0	0	0	0	109.7
14	L	31.1	Very low	47.8	Very low	181 Å²	181	95 Å²	95	95%	0.948	66%	0.663	S	S	*	*			trans	-89.1	153	-176.8	-83.5	68.9	0	0	0	112.5
15	G	36.5	Very low	50	Low	81 Å²	81	98.4 Å²	98.4	84%	0.835	67%	0.671	S	S	*	*			trans	102.6	60.4	134.8	0	0	0	0	0	118.4
16	S	33.1	Very low	52.9	Low	118 Å²	118	93.5 Å²	93.5	83%	0.825	64%	0.636	S	S	*	*			trans	-138.2	111.2	150.4	-172.4	0	0	0	0	109.4
17	Q	45.2	Very low	55.8	Low	174 Å²	174	92.6 Å²	92.6	81%	0.813	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-72.6	133.5	161.6	-80.1	-175.7	-23.7	0	0	107.4
18	A	58.4	Low	58.3	Low	67 Å²	67	94 Å²	94	55%	0.554	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-54.8	132.3	166.8	0	0	0	0	0	108.7	Y22	A18-Y22 HydrophobicContact CB-CD1 4.34Å
19	P	72.4	Confident	60.9	Low	55 Å²	55	91.3 Å²	91.3	36%	0.357	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-63.2	141.3	-178	27.1	-34	0	0	0	109.3	W21 Y22	P19-W21 HydrophobicContact CB-CD2 4.2Å; P19-W21 HydrophobicContact CB-CZ2 3.84Å; P19-W21 HydrophobicContact CG-CD2 4.15Å; P19-W21 HydrophobicContact CG-CE3 4.36Å; P19-W21 HydrophobicContact CG-CH2 3.77Å; P19-W21 HydrophobicContact CG-CZ2 3.53Å; P19-W21 HydrophobicContact CG-CZ3 4.19Å; P19-W21 PolarHBondContact O-N 2.95Å; P19-Y22 PolarHBondContact O-N 3.28Å
20	S	76.7	Confident	63.7	Low	53 Å²	53	89.4 Å²	89.4	37%	0.371	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.9	-8.8	-165	62.4	0	0	0	0	115.9	H23 V117 E118	S20-H23 PolarHBondContact O-CE1 3.47Å; S20-H23 PolarHBondContact O-NE2 2.92Å; S20-V117 VanDerWaalsContact O-O 3.12Å; S20-E118 WeakPolarHBondContact CB-OE1 3.43Å; S20-E118 PolarHBondContact OG-OE1 3.37Å
21	W	86.5	Confident	65.2	Low	38 Å²	38	82.7 Å²	82.7	14%	0.144	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.2	167.6	48.9	-101.9	0	0	0	114.7	P19 H23 F44 L45 V46 L95 I99 P116	P19-W21 HydrophobicContact CB-CD2 4.2Å; P19-W21 HydrophobicContact CB-CZ2 3.84Å; P19-W21 HydrophobicContact CG-CD2 4.15Å; P19-W21 HydrophobicContact CG-CE3 4.36Å; P19-W21 HydrophobicContact CG-CH2 3.77Å; P19-W21 HydrophobicContact CG-CZ2 3.53Å; P19-W21 HydrophobicContact CG-CZ3 4.19Å; P19-W21 PolarHBondContact O-N 2.95Å; W21-H23 PolarHBondContact O-CD2 3.14Å; W21-F44 HydrophobicContact CB-CD2 4.38Å; W21-F44 HydrophobicContact CB-CE2 3.75Å; W21-F44 HydrophobicContact CB-CZ 4.23Å; W21-F44 HydrophobicContact CD2-CE2 4.38Å; W21-F44 AromaticContact CG-CE2 3.87Å; W21-F44 HydrophobicContact CG-CE2 3.87Å; W21-F44 HydrophobicContact CG-CZ 4.27Å; W21-L45 CarbonylContact O-C 3.52Å; W21-L45 WeakPolarHBondContact O-CA 3.24Å; W21-V46 HydrophobicContact CE3-CB 3.85Å; W21-V46 HydrophobicContact CE3-CG2 3.6Å; W21-V46 HydrophobicContact CZ3-CB 3.97Å; W21-V46 HydrophobicContact CZ3-CG2 3.73Å; W21-V46 PolarHBondContact O-N 2.85Å; W21-L95 HydrophobicContact CH2-CB 3.79Å; W21-L95 HydrophobicContact CZ3-CB 4.17Å; W21-I99 HydrophobicContact CD2-CG1 4.46Å; W21-I99 HydrophobicContact CE3-CG1 4.23Å; W21-I99 HydrophobicContact CH2-CG1 3.89Å; W21-I99 HydrophobicContact CZ2-CB 4.31Å; W21-I99 HydrophobicContact CZ2-CG1 4.09Å; W21-I99 HydrophobicContact CZ3-CG1 3.96Å; W21-P116 HydrophobicContact CB-CB 3.76Å; W21-P116 HydrophobicContact CG-CB 4.43Å
22	Y	90.9	Very high	68.2	Low	37 Å²	37	81.9 Å²	81.9	15%	0.145	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.9	-177.2	175.4	-120.7	0	0	0	112	A18 P19 V46 D48 F56	A18-Y22 HydrophobicContact CB-CD1 4.34Å; P19-Y22 PolarHBondContact O-N 3.28Å; Y22-V46 WeakPolarHBondContact CA-O 3.47Å; Y22-V46 HydrophobicContact CD2-CB 4.2Å; Y22-V46 HydrophobicContact CD2-CG1 4.09Å; Y22-D48 PolarHBondContact OH-OD1 3.15Å; Y22-F56 HydrophobicContact CE2-CD1 4.02Å; Y22-F56 HydrophobicContact CE2-CE1 4.08Å
23	H	89.1	Confident	71.3	Confident	24 Å²	24	82.6 Å²	82.6	11%	0.111	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	102.3	-177	-53.6	-79.7	0	0	0	109.7	S20 W21 L26 V46 R47 V117 G119	S20-H23 PolarHBondContact O-CE1 3.47Å; S20-H23 PolarHBondContact O-NE2 2.92Å; W21-H23 PolarHBondContact O-CD2 3.14Å; H23-L26 HydrophobicContact CB-CB 3.62Å; H23-L26 HydrophobicContact CB-CD2 3.63Å; H23-L26 HydrophobicContact CB-CG 4.2Å; H23-V46 PolarHBondContact N-O 2.86Å; H23-R47 WeakPolarHBondContact O-CA 3.29Å; H23-V117 PolarHBondContact CE1-O 2.79Å; H23-V117 PolarHBondContact NE2-O 2.92Å; H23-G119 PolarHBondContact CE1-N 2.58Å; H23-G119 VanDerWaalsContact CE1-N 3.29Å
24	R	79.8	Confident	74.4	Confident	176 Å²	176	79 Å²	79	66%	0.664	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	141.6	171.3	-165.1	178.1	-73	168.8	-1.9	109.7	L26 D48	R24-L26 PolarHBondContact O-N 2.9Å; R24-D48 VanDerWaalsContact CA-OD2 3.26Å; R24-D48 WeakPolarHBondContact CA-OD2 3.27Å; R24-D48 VanDerWaalsContact CG-OD2 3.27Å; R24-D48 WeakPolarHBondContact CG-OD2 3.34Å
25	D	78	Confident	77.1	Confident	144 Å²	144	70.4 Å²	70.4	77%	0.77	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	11.4	176.3	-51.2	-54.5	0	0	0	116.2	S27 D48	D25-S27 PolarHBondContact O-N 3.24Å; D25-D48 PolarHBondContact N-OD2 3.35Å; D25-D48 VanDerWaalsContact N-OD2 3.1Å
26	L	86.9	Confident	79.5	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.168	39%	0.385	C	S	.	.			trans	-75	124.8	177.8	-174.6	69.8	0	0	0	111.9	H23 R24 A30 A31 L34 L45 R47	H23-L26 HydrophobicContact CB-CB 3.62Å; H23-L26 HydrophobicContact CB-CD2 3.63Å; H23-L26 HydrophobicContact CB-CG 4.2Å; R24-L26 PolarHBondContact O-N 2.9Å; L26-A30 HydrophobicContact CD1-CB 3.55Å; L26-A30 HydrophobicContact CG-CB 4.32Å; L26-A31 HydrophobicContact CD2-CB 3.88Å; L26-A31 HydrophobicContact CG-CB 4.3Å; L26-L34 HydrophobicContact CD1-CD1 4.19Å; L26-L34 HydrophobicContact CD2-CD1 4.13Å; L26-L45 HydrophobicContact CD2-CD1 3.97Å; L26-L45 HydrophobicContact CD2-CD2 3.98Å; L26-R47 HydrophobicContact CB-CB 4.16Å; L26-R47 WeakPolarHBondContact O-CD 3.36Å; L26-R47 PolarHBondContact O-NH1 2.8Å
27	S	87.1	Confident	82	Confident	52 Å²	52	71 Å²	71	36%	0.364	37%	0.371	S	S	.	.			trans	-71.1	158.4	178.6	76.3	0	0	0	0	113.1	D25 A29 A30 A31 E50	D25-S27 PolarHBondContact O-N 3.24Å; S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 2.73Å; S27-A30 PolarHBondContact O-N 3.02Å; S27-A30 WeakPolarHBondContact OG-CB 3.18Å; S27-A30 PolarHBondContact OG-N 3.44Å; S27-A31 WeakPolarHBondContact O-CB 3.49Å; S27-A31 PolarHBondContact O-N 3.49Å; S27-E50 WeakPolarHBondContact CA-OE1 3.42Å
28	R	85.5	Confident	84	Confident	135 Å²	135	64.5 Å²	64.5	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-54.2	-46.8	175.9	-175.7	177.2	170.5	161.3	3.2	112.3	A31 E32 E50	R28-A31 PolarHBondContact O-N 3.22Å; R28-E32 IonicContact CZ-OE1 2.95Å; R28-E32 IonicContact NE-OE1 2.65Å; R28-E32 PolarHBondContact NE-OE1 3.48Å; R28-E32 IonicContact NH2-OE1 2.64Å; R28-E32 PolarHBondContact NH2-OE1 3.05Å; R28-E32 WeakPolarHBondContact O-CG 3.28Å; R28-E32 PolarHBondContact O-N 3.11Å; R28-E50 PolarHBondContact N-OE1 3.08Å
29	A	84.8	Confident	85.3	Confident	68 Å²	68	63.9 Å²	63.9	56%	0.562	35%	0.348	S	S	*	.	H	α-helix	trans	-66.9	-41.1	-176.1	0	0	0	0	0	111.8	S27 E32 E33	S27-A29 VanDerWaalsContact C-N 3.31Å; S27-A29 PolarHBondContact O-N 2.73Å; A29-E32 PolarHBondContact O-N 3.32Å; A29-E33 PolarHBondContact O-N 3.43Å
30	A	86	Confident	86.1	Confident	31 Å²	31	69.2 Å²	69.2	26%	0.256	36%	0.361	S	S	.	.	H	α-helix	trans	-67.6	-38.1	176.3	0	0	0	0	0	111.9	L26 S27 E33 L34	L26-A30 HydrophobicContact CD1-CB 3.55Å; L26-A30 HydrophobicContact CG-CB 4.32Å; S27-A30 PolarHBondContact O-N 3.02Å; S27-A30 WeakPolarHBondContact OG-CB 3.18Å; S27-A30 PolarHBondContact OG-N 3.44Å; A30-E33 PolarHBondContact O-N 3.09Å; A30-L34 WeakPolarHBondContact O-CB 3.42Å; A30-L34 WeakPolarHBondContact O-CG 3.45Å; A30-L34 PolarHBondContact O-N 2.93Å
31	A	85.9	Confident	86.7	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-63.3	-43.7	172.6	0	0	0	0	0	112.8	L26 S27 R28 E33 L35 L45	L26-A31 HydrophobicContact CD2-CB 3.88Å; L26-A31 HydrophobicContact CG-CB 4.3Å; S27-A31 WeakPolarHBondContact O-CB 3.49Å; S27-A31 PolarHBondContact O-N 3.49Å; R28-A31 PolarHBondContact O-N 3.22Å; A31-E33 VanDerWaalsContact C-N 3.34Å; A31-L35 WeakPolarHBondContact O-CB 3.42Å; A31-L35 WeakPolarHBondContact O-CG 3.31Å; A31-L35 PolarHBondContact O-N 3.22Å; A31-L35 VanDerWaalsContact O-N 3.11Å; A31-L45 HydrophobicContact CB-CD1 3.96Å; A31-L45 HydrophobicContact CB-CD2 4.29Å
32	E	89.6	Confident	86.8	Confident	66 Å²	66	68.4 Å²	68.4	31%	0.308	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-37.9	175.2	-74.4	178.1	-176.3	0	0	111.7	R28 A29 A36 V66	R28-E32 IonicContact CZ-OE1 2.95Å; R28-E32 IonicContact NE-OE1 2.65Å; R28-E32 PolarHBondContact NE-OE1 3.48Å; R28-E32 IonicContact NH2-OE1 2.64Å; R28-E32 PolarHBondContact NH2-OE1 3.05Å; R28-E32 WeakPolarHBondContact O-CG 3.28Å; R28-E32 PolarHBondContact O-N 3.11Å; A29-E32 PolarHBondContact O-N 3.32Å; E32-A36 VanDerWaalsContact O-CB 3.3Å; E32-A36 WeakPolarHBondContact O-CB 3.45Å; E32-A36 PolarHBondContact O-N 3.26Å; E32-V66 HydrophobicContact CG-CB 4.09Å; E32-V66 HydrophobicContact CG-CG1 4Å; E32-V66 HydrophobicContact CG-CG2 4.37Å
33	E	89.2	Confident	87	Confident	100 Å²	100	66.8 Å²	66.8	47%	0.467	35%	0.35	S	S	.	.	H	α-helix	trans	-69.5	-47.2	175.7	-166.8	-175.8	156.4	0	0	112.8	A29 A30 A31 L35 A36 R37	A29-E33 PolarHBondContact O-N 3.43Å; A30-E33 PolarHBondContact O-N 3.09Å; A31-E33 VanDerWaalsContact C-N 3.34Å; E33-L35 VanDerWaalsContact C-N 3.29Å; E33-L35 PolarHBondContact O-N 3.18Å; E33-A36 CarbonylContact O-C 3.49Å; E33-A36 PolarHBondContact O-N 3.05Å; E33-A36 VanDerWaalsContact O-N 3.1Å; E33-R37 HydrophobicContact CG-CG 4.37Å; E33-R37 WeakPolarHBondContact O-CG 3.15Å; E33-R37 PolarHBondContact O-N 3.16Å; E33-R37 IonicContact OE1-CZ 3.3Å; E33-R37 IonicContact OE1-NE 3.91Å; E33-R37 PolarHBondContact OE1-NE 2.95Å; E33-R37 IonicContact OE1-NH2 3.63Å; E33-R37 PolarHBondContact OE1-NH2 3.42Å
34	L	89.1	Confident	87.2	Confident	27 Å²	27	66.2 Å²	66.2	14%	0.141	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-40.2	178.5	-74.5	171.7	0	0	0	111.7	L26 A30 R37 A38 L45 V117	L26-L34 HydrophobicContact CD1-CD1 4.19Å; L26-L34 HydrophobicContact CD2-CD1 4.13Å; A30-L34 WeakPolarHBondContact O-CB 3.42Å; A30-L34 WeakPolarHBondContact O-CG 3.45Å; A30-L34 PolarHBondContact O-N 2.93Å; L34-R37 PolarHBondContact O-N 3.28Å; L34-A38 WeakPolarHBondContact O-CB 3.2Å; L34-A38 PolarHBondContact O-N 2.97Å; L34-L45 HydrophobicContact CB-CD2 4.44Å; L34-V117 HydrophobicContact CB-CG1 4.2Å
35	L	89.4	Confident	88	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.8	-41.2	173.5	-72.7	168.7	0	0	0	112	A31 E33 R37 A38 G39 S43 L45 C59 L61 V66 V117	A31-L35 WeakPolarHBondContact O-CB 3.42Å; A31-L35 WeakPolarHBondContact O-CG 3.31Å; A31-L35 PolarHBondContact O-N 3.22Å; A31-L35 VanDerWaalsContact O-N 3.11Å; E33-L35 VanDerWaalsContact C-N 3.29Å; E33-L35 PolarHBondContact O-N 3.18Å; L35-R37 PolarHBondContact O-N 2.79Å; L35-A38 PolarHBondContact O-N 3.29Å; L35-G39 PolarHBondContact O-N 3.26Å; L35-G39 VanDerWaalsContact O-N 3.07Å; L35-S43 WeakPolarHBondContact CD2-O 3.46Å; L35-L45 HydrophobicContact CD1-CG 4.36Å; L35-L45 HydrophobicContact CG-CD2 4.19Å; L35-L45 HydrophobicContact CG-CG 4.45Å; L35-C59 HydrophobicContact CD1-CB 3.55Å; L35-L61 HydrophobicContact CB-CB 4.39Å; L35-L61 HydrophobicContact CB-CD1 4.46Å; L35-L61 HydrophobicContact CD2-CB 4.46Å; L35-L61 WeakPolarHBondContact O-CD2 3.49Å; L35-V66 HydrophobicContact CB-CG2 3.87Å; L35-V66 HydrophobicContact CD1-CG1 3.64Å; L35-V66 HydrophobicContact CD1-CG2 4.1Å; L35-V117 HydrophobicContact CD2-CG2 3.93Å
36	A	85.5	Confident	88.7	Confident	66 Å²	66	51 Å²	51	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-37	175	0	0	0	0	0	113	E32 E33 G39	E32-A36 VanDerWaalsContact O-CB 3.3Å; E32-A36 WeakPolarHBondContact O-CB 3.45Å; E32-A36 PolarHBondContact O-N 3.26Å; E33-A36 CarbonylContact O-C 3.49Å; E33-A36 PolarHBondContact O-N 3.05Å; E33-A36 VanDerWaalsContact O-N 3.1Å; A36-G39 PolarHBondContact O-N 3.11Å
37	R	86.6	Confident	89	Confident	145 Å²	145	50 Å²	50	55%	0.547	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-40.3	172.2	-71.8	178.3	-176.6	-165.9	5.9	111.6	E33 L34 L35 G39 E120	E33-R37 HydrophobicContact CG-CG 4.37Å; E33-R37 WeakPolarHBondContact O-CG 3.15Å; E33-R37 PolarHBondContact O-N 3.16Å; E33-R37 IonicContact OE1-CZ 3.3Å; E33-R37 IonicContact OE1-NE 3.91Å; E33-R37 PolarHBondContact OE1-NE 2.95Å; E33-R37 IonicContact OE1-NH2 3.63Å; E33-R37 PolarHBondContact OE1-NH2 3.42Å; L34-R37 PolarHBondContact O-N 3.28Å; L35-R37 PolarHBondContact O-N 2.79Å; R37-G39 VanDerWaalsContact C-N 3.33Å; R37-G39 PolarHBondContact O-N 3.07Å; R37-E120 IonicContact CZ-OE1 3.2Å; R37-E120 IonicContact NH1-OE1 3.73Å; R37-E120 PolarHBondContact NH1-OE1 2.74Å; R37-E120 IonicContact NH1-OE2 2.67Å
38	A	86.1	Confident	89.2	Confident	38 Å²	38	49.4 Å²	49.4	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-33.7	177	0	0	0	0	0	112.9	L34 L35 R40 V117	L34-A38 WeakPolarHBondContact O-CB 3.2Å; L34-A38 PolarHBondContact O-N 2.97Å; L35-A38 PolarHBondContact O-N 3.29Å; A38-R40 VanDerWaalsContact C-N 3.25Å; A38-R40 PolarHBondContact O-N 2.88Å; A38-R40 VanDerWaalsContact O-N 3.08Å; A38-V117 HydrophobicContact CB-CG2 3.83Å
39	G	85.4	Confident	89.1	Confident	55 Å²	55	43.6 Å²	43.6	57%	0.567	25%	0.245	S	C	*	.			trans	64.5	18.3	161.6	0	0	0	0	0	116.5	L35 A36 R37	L35-G39 PolarHBondContact O-N 3.26Å; L35-G39 VanDerWaalsContact O-N 3.07Å; A36-G39 PolarHBondContact O-N 3.11Å; R37-G39 VanDerWaalsContact C-N 3.33Å; R37-G39 PolarHBondContact O-N 3.07Å
40	R	89.4	Confident	89	Confident	166 Å²	166	46.1 Å²	46.1	63%	0.626	25%	0.246	S	C	*	.			trans	-126.1	133.4	-178.4	-73.1	-177.7	165.3	-138.2	-3.7	112	A38 G42 S43 L61 L115	A38-R40 VanDerWaalsContact C-N 3.25Å; A38-R40 PolarHBondContact O-N 2.88Å; A38-R40 VanDerWaalsContact O-N 3.08Å; R40-G42 PolarHBondContact O-N 2.84Å; R40-S43 WeakPolarHBondContact O-CB 3.43Å; R40-S43 PolarHBondContact O-N 3.34Å; R40-S43 PolarHBondContact O-OG 2.91Å; R40-L61 WeakPolarHBondContact O-CD2 3.45Å; R40-L115 HydrophobicContact CB-CD1 3.83Å; R40-L115 HydrophobicContact CG-CD1 4.38Å
41	D	90.9	Very high	88.5	Confident	74 Å²	74	48.7 Å²	48.7	40%	0.396	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	133.9	174.6	-73.6	2.9	0	0	0	110.4	L61 Y62 Q63	D41-L61 WeakPolarHBondContact CA-O 3.28Å; D41-Y62 HydrophobicContact CB-CD2 4Å; D41-Y62 WeakPolarHBondContact OD1-CA 3.43Å; D41-Q63 PolarHBondContact OD1-N 2.99Å; D41-Q63 PolarHBondContact OD2-N 3.43Å; D41-Q63 VanDerWaalsContact OD2-N 3.1Å
42	G	87.8	Confident	88.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	1.7	-170.6	0	0	0	0	0	114.8	R40 L61 L114 L115	R40-G42 PolarHBondContact O-N 2.84Å; G42-L61 PolarHBondContact N-O 3.15Å; G42-L114 PolarHBondContact O-N 3.18Å; G42-L115 PolarHBondContact O-N 3.35Å
43	S	94.4	Very high	87.5	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.028	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	135.1	163.5	-80	0	0	0	0	110.7	L35 R40 V60 L61 L115	L35-S43 WeakPolarHBondContact CD2-O 3.46Å; R40-S43 WeakPolarHBondContact O-CB 3.43Å; R40-S43 PolarHBondContact O-N 3.34Å; R40-S43 PolarHBondContact O-OG 2.91Å; S43-V60 CarbonylContact O-C 3.57Å; S43-V60 WeakPolarHBondContact O-CA 3.36Å; S43-L61 PolarHBondContact O-N 2.99Å; S43-L115 CarbonylContact C-O 3.53Å; S43-L115 VanDerWaalsContact CA-O 3.25Å; S43-L115 WeakPolarHBondContact CA-O 3.49Å
44	F	94.8	Very high	87.1	Confident	11 Å²	11	51.4 Å²	51.4	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	158.8	-175.8	77.6	-81.1	0	0	0	113.7	W21 L58 C59 V60 I99 L113 L115 P116 V117	W21-F44 HydrophobicContact CB-CD2 4.38Å; W21-F44 HydrophobicContact CB-CE2 3.75Å; W21-F44 HydrophobicContact CB-CZ 4.23Å; W21-F44 HydrophobicContact CD2-CE2 4.38Å; W21-F44 AromaticContact CG-CE2 3.87Å; W21-F44 HydrophobicContact CG-CE2 3.87Å; W21-F44 HydrophobicContact CG-CZ 4.27Å; F44-L58 HydrophobicContact CB-CD1 4.35Å; F44-L58 HydrophobicContact CD2-CD1 4Å; F44-C59 CarbonylContact C-O 3.57Å; F44-C59 WeakPolarHBondContact CA-O 3.41Å; F44-V60 HydrophobicContact CB-CG1 4.35Å; F44-V60 HydrophobicContact CB-CG2 4.16Å; F44-I99 HydrophobicContact CD2-CD1 4.37Å; F44-I99 HydrophobicContact CE2-CD1 4.12Å; F44-I99 HydrophobicContact CE2-CG2 3.64Å; F44-I99 HydrophobicContact CZ-CG2 3.82Å; F44-L113 HydrophobicContact CB-CD2 3.78Å; F44-L113 HydrophobicContact CD1-CB 3.7Å; F44-L113 HydrophobicContact CD1-CD2 4.37Å; F44-L113 HydrophobicContact CD2-CB 4.36Å; F44-L113 HydrophobicContact CD2-CD1 4.15Å; F44-L113 HydrophobicContact CD2-CD2 4.25Å; F44-L113 HydrophobicContact CD2-CG 4.49Å; F44-L113 HydrophobicContact CE1-CB 3.8Å; F44-L113 HydrophobicContact CE2-CB 4.45Å; F44-L113 HydrophobicContact CE2-CD1 4.26Å; F44-L113 HydrophobicContact CG-CB 4Å; F44-L113 HydrophobicContact CG-CD1 4.48Å; F44-L113 HydrophobicContact CG-CD2 3.88Å; F44-L113 HydrophobicContact CG-CG 4.33Å; F44-L113 HydrophobicContact CZ-CB 4.18Å; F44-L115 WeakPolarHBondContact CD1-O 3.49Å; F44-L115 PolarHBondContact N-O 2.87Å; F44-P116 HydrophobicContact CE1-CB 4.16Å; F44-P116 HydrophobicContact CZ-CB 4.1Å; F44-V117 PolarHBondContact O-N 3.07Å
45	L	94.9	Very high	86.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	162.1	167.5	68.5	80.1	0	0	0	111	W21 L26 A31 L34 L35 R47 C59	W21-L45 CarbonylContact O-C 3.52Å; W21-L45 WeakPolarHBondContact O-CA 3.24Å; L26-L45 HydrophobicContact CD2-CD1 3.97Å; L26-L45 HydrophobicContact CD2-CD2 3.98Å; A31-L45 HydrophobicContact CB-CD1 3.96Å; A31-L45 HydrophobicContact CB-CD2 4.29Å; L34-L45 HydrophobicContact CB-CD2 4.44Å; L35-L45 HydrophobicContact CD1-CG 4.36Å; L35-L45 HydrophobicContact CG-CD2 4.19Å; L35-L45 HydrophobicContact CG-CG 4.45Å; L45-R47 HydrophobicContact CD1-CB 4.28Å; L45-C59 HydrophobicContact CD1-CB 4.2Å; L45-C59 HydrophobicContact CG-CB 4.39Å; L45-C59 PolarHBondContact N-O 2.76Å; L45-C59 PolarHBondContact O-N 3.22Å
46	V	93.7	Very high	86.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.6	170.7	-176.6	0	0	0	0	108.6	W21 Y22 H23 F56 A57 L58 L95 I99	W21-V46 HydrophobicContact CE3-CB 3.85Å; W21-V46 HydrophobicContact CE3-CG2 3.6Å; W21-V46 HydrophobicContact CZ3-CB 3.97Å; W21-V46 HydrophobicContact CZ3-CG2 3.73Å; W21-V46 PolarHBondContact O-N 2.85Å; Y22-V46 WeakPolarHBondContact CA-O 3.47Å; Y22-V46 HydrophobicContact CD2-CB 4.2Å; Y22-V46 HydrophobicContact CD2-CG1 4.09Å; H23-V46 PolarHBondContact N-O 2.86Å; V46-F56 HydrophobicContact CG1-CB 4Å; V46-A57 WeakPolarHBondContact CA-O 3.47Å; V46-L58 HydrophobicContact CG2-CB 4.34Å; V46-L58 HydrophobicContact CG2-CD1 3.97Å; V46-L95 HydrophobicContact CG1-CD1 4.35Å; V46-L95 HydrophobicContact CG1-CD2 4.42Å; V46-I99 HydrophobicContact CG2-CD1 3.63Å; V46-I99 HydrophobicContact CG2-CG1 4.22Å
47	R	93.3	Very high	87.3	Confident	11 Å²	11	49 Å²	49	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	169.4	175.5	67.8	-171	-166.9	85.1	-1.5	110.7	H23 L26 L45 E50 F56 A57	H23-R47 WeakPolarHBondContact O-CA 3.29Å; L26-R47 HydrophobicContact CB-CB 4.16Å; L26-R47 WeakPolarHBondContact O-CD 3.36Å; L26-R47 PolarHBondContact O-NH1 2.8Å; L45-R47 HydrophobicContact CD1-CB 4.28Å; R47-E50 IonicContact CZ-OE2 3.11Å; R47-E50 IonicContact NH1-OE1 2.75Å; R47-E50 IonicContact NH1-OE2 2.64Å; R47-E50 PolarHBondContact NH1-OE2 3.36Å; R47-E50 IonicContact NH2-OE2 3.73Å; R47-E50 PolarHBondContact NH2-OE2 3.41Å; R47-F56 CarbonylContact O-C 3.47Å; R47-F56 WeakPolarHBondContact O-CA 3.44Å; R47-A57 HydrophobicContact CG-CB 3.99Å; R47-A57 PolarHBondContact N-O 3.35Å; R47-A57 PolarHBondContact O-N 3.01Å
48	D	90.6	Very high	87.6	Confident	40 Å²	40	42.1 Å²	42.1	21%	0.214	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	149.1	171.4	-55.5	-53.2	0	0	0	111.7	Y22 R24 D25 E50 F56	Y22-D48 PolarHBondContact OH-OD1 3.15Å; R24-D48 VanDerWaalsContact CA-OD2 3.26Å; R24-D48 WeakPolarHBondContact CA-OD2 3.27Å; R24-D48 VanDerWaalsContact CG-OD2 3.27Å; R24-D48 WeakPolarHBondContact CG-OD2 3.34Å; D25-D48 PolarHBondContact N-OD2 3.35Å; D25-D48 VanDerWaalsContact N-OD2 3.1Å; D48-E50 PolarHBondContact O-N 3.44Å; D48-F56 WeakPolarHBondContact OD1-CD1 3.45Å; D48-F56 WeakPolarHBondContact OD1-CE1 3.46Å
49	S	84.3	Confident	88	Confident	13 Å²	13	40.4 Å²	40.4	9%	0.091	25%	0.248	C	C	.	.			trans	-83.5	107.4	-179.9	158.9	0	0	0	0	111.6	S51 V52 A55	S49-S51 PolarHBondContact O-N 3.41Å; S49-S51 PolarHBondContact OG-N 3.09Å; S49-S51 PolarHBondContact OG-OG 2.95Å; S49-V52 CarbonylContact O-C 3.57Å; S49-V52 PolarHBondContact O-N 3.49Å; S49-V52 PolarHBondContact OG-N 3.14Å; S49-V52 PolarHBondContact OG-O 2.9Å; S49-A55 VanDerWaalsContact CB-O 3.25Å; S49-A55 WeakPolarHBondContact CB-O 3.43Å; S49-A55 PolarHBondContact N-O 3.03Å
50	E	81.4	Confident	88.4	Confident	121 Å²	121	37.8 Å²	37.8	57%	0.565	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-25.7	171.2	-61.6	139.4	138.3	0	0	113.1	S27 R28 R47 D48	S27-E50 WeakPolarHBondContact CA-OE1 3.42Å; R28-E50 PolarHBondContact N-OE1 3.08Å; R47-E50 IonicContact CZ-OE2 3.11Å; R47-E50 IonicContact NH1-OE1 2.75Å; R47-E50 IonicContact NH1-OE2 2.64Å; R47-E50 PolarHBondContact NH1-OE2 3.36Å; R47-E50 IonicContact NH2-OE2 3.73Å; R47-E50 PolarHBondContact NH2-OE2 3.41Å; D48-E50 PolarHBondContact O-N 3.44Å
51	S	75.8	Confident	88.5	Confident	86 Å²	86	30.2 Å²	30.2	60%	0.601	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-19.3	-173.4	70	0	0	0	0	115.5	S49 R70	S49-S51 PolarHBondContact O-N 3.41Å; S49-S51 PolarHBondContact OG-N 3.09Å; S49-S51 PolarHBondContact OG-OG 2.95Å; S51-R70 PolarHBondContact OG-NH2 3.36Å; S51-R70 VanDerWaalsContact OG-NH2 3.13Å
52	V	80	Confident	88.6	Confident	64 Å²	64	29.9 Å²	29.9	39%	0.388	19%	0.187	S	C	.	.	S	Bend	trans	-158	121.3	-178.3	156.7	0	0	0	0	107.5	S49 A55	S49-V52 CarbonylContact O-C 3.57Å; S49-V52 PolarHBondContact O-N 3.49Å; S49-V52 PolarHBondContact OG-N 3.14Å; S49-V52 PolarHBondContact OG-O 2.9Å; V52-A55 HydrophobicContact CB-CB 4.27Å; V52-A55 HydrophobicContact CG1-CB 3.84Å; V52-A55 PolarHBondContact O-N 2.86Å
53	A	75.8	Confident	88.6	Confident	102 Å²	102	35.7 Å²	35.7	84%	0.843	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	141.6	174.9	0	0	0	0	0	111.5	A55	A53-A55 PolarHBondContact O-N 3.25Å
54	G	79.1	Confident	88.2	Confident	56 Å²	56	44.7 Å²	44.7	58%	0.577	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-4.6	-178.8	0	0	0	0	0	115.4
55	A	85.2	Confident	87.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.008	28%	0.279	C	S	.	.			trans	-96	158.4	170.1	0	0	0	0	0	111.4	S49 V52 A53 I71 L72	S49-A55 VanDerWaalsContact CB-O 3.25Å; S49-A55 WeakPolarHBondContact CB-O 3.43Å; S49-A55 PolarHBondContact N-O 3.03Å; V52-A55 HydrophobicContact CB-CB 4.27Å; V52-A55 HydrophobicContact CG1-CB 3.84Å; V52-A55 PolarHBondContact O-N 2.86Å; A53-A55 PolarHBondContact O-N 3.25Å; A55-I71 WeakPolarHBondContact CA-O 3.29Å; A55-I71 WeakPolarHBondContact CB-O 3.39Å; A55-L72 HydrophobicContact CB-CD2 3.84Å
56	F	91.1	Very high	87.4	Confident	36 Å²	36	52 Å²	52	16%	0.158	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	163.7	177	-50.8	-81.4	0	0	0	111.7	Y22 V46 R47 D48 I71 L79 L95	Y22-F56 HydrophobicContact CE2-CD1 4.02Å; Y22-F56 HydrophobicContact CE2-CE1 4.08Å; V46-F56 HydrophobicContact CG1-CB 4Å; R47-F56 CarbonylContact O-C 3.47Å; R47-F56 WeakPolarHBondContact O-CA 3.44Å; D48-F56 WeakPolarHBondContact OD1-CD1 3.45Å; D48-F56 WeakPolarHBondContact OD1-CE1 3.46Å; F56-I71 HydrophobicContact CB-CB 4.11Å; F56-I71 HydrophobicContact CB-CD1 4.4Å; F56-I71 HydrophobicContact CD2-CG2 4.41Å; F56-I71 PolarHBondContact N-O 3.22Å; F56-I71 PolarHBondContact O-N 3.49Å; F56-L79 HydrophobicContact CD2-CD2 4.24Å; F56-L79 HydrophobicContact CE2-CD1 4.41Å; F56-L79 HydrophobicContact CE2-CD2 4.03Å; F56-L95 HydrophobicContact CB-CD2 4.39Å; F56-L95 HydrophobicContact CD1-CD1 4.08Å; F56-L95 HydrophobicContact CD2-CD1 4.07Å; F56-L95 HydrophobicContact CD2-CD2 3.91Å; F56-L95 HydrophobicContact CD2-CG 4.3Å; F56-L95 HydrophobicContact CE1-CD1 4.1Å; F56-L95 HydrophobicContact CE2-CD1 4.08Å; F56-L95 HydrophobicContact CE2-CD2 4.46Å; F56-L95 HydrophobicContact CE2-CG 4.39Å; F56-L95 HydrophobicContact CG-CD1 4.07Å; F56-L95 HydrophobicContact CG-CD2 4.19Å; F56-L95 HydrophobicContact CZ-CD1 4.1Å
57	A	92.3	Very high	87.2	Confident	6 Å²	6	55 Å²	55	5%	0.05	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	112.5	176.3	0	0	0	0	0	110.4	V46 R47 T68	V46-A57 WeakPolarHBondContact CA-O 3.47Å; R47-A57 HydrophobicContact CG-CB 3.99Å; R47-A57 PolarHBondContact N-O 3.35Å; R47-A57 PolarHBondContact O-N 3.01Å; A57-T68 HydrophobicContact CB-CG2 3.95Å
58	L	93.3	Very high	87.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.4	171.8	165.6	59	0	0	0	108.8	F44 V46 V60 T68 Y69 I71 L98 I99 L109 L113	F44-L58 HydrophobicContact CB-CD1 4.35Å; F44-L58 HydrophobicContact CD2-CD1 4Å; V46-L58 HydrophobicContact CG2-CB 4.34Å; V46-L58 HydrophobicContact CG2-CD1 3.97Å; L58-V60 HydrophobicContact CD1-CG2 3.95Å; L58-V60 HydrophobicContact CG-CG2 3.98Å; L58-T68 CarbonylContact O-C 3.36Å; L58-T68 WeakPolarHBondContact O-CA 3.45Å; L58-Y69 PolarHBondContact N-O 3.28Å; L58-Y69 PolarHBondContact O-N 2.9Å; L58-I71 HydrophobicContact CB-CD1 3.98Å; L58-L98 HydrophobicContact CD2-CD2 4.34Å; L58-I99 HydrophobicContact CD1-CD1 3.79Å; L58-I99 HydrophobicContact CD2-CD1 4.11Å; L58-L109 HydrophobicContact CD2-CD1 3.91Å; L58-L113 HydrophobicContact CD1-CD1 4.18Å; L58-L113 HydrophobicContact CD1-CD2 4.03Å; L58-L113 HydrophobicContact CD2-CD1 4.08Å; L58-L113 HydrophobicContact CD2-CD2 4.34Å
59	C	93.8	Very high	87	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.3	-178.1	-54.4	0	0	0	0	109.3	L35 F44 L45 V66 H67	L35-C59 HydrophobicContact CD1-CB 3.55Å; F44-C59 CarbonylContact C-O 3.57Å; F44-C59 WeakPolarHBondContact CA-O 3.41Å; L45-C59 HydrophobicContact CD1-CB 4.2Å; L45-C59 HydrophobicContact CG-CB 4.39Å; L45-C59 PolarHBondContact N-O 2.76Å; L45-C59 PolarHBondContact O-N 3.22Å; C59-V66 HydrophobicContact CB-CG1 4.15Å; C59-H67 WeakPolarHBondContact CA-O 3.44Å
60	V	93.6	Very high	87.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.7	-173.5	-168.1	0	0	0	0	110.5	S43 F44 L58 V66 H67 Y69 L113	S43-V60 CarbonylContact O-C 3.57Å; S43-V60 WeakPolarHBondContact O-CA 3.36Å; F44-V60 HydrophobicContact CB-CG1 4.35Å; F44-V60 HydrophobicContact CB-CG2 4.16Å; L58-V60 HydrophobicContact CD1-CG2 3.95Å; L58-V60 HydrophobicContact CG-CG2 3.98Å; V60-V66 CarbonylContact O-C 3.37Å; V60-V66 WeakPolarHBondContact O-CA 3.47Å; V60-H67 PolarHBondContact N-O 3.37Å; V60-H67 PolarHBondContact O-N 3.12Å; V60-Y69 HydrophobicContact CG2-CD2 4.25Å; V60-Y69 HydrophobicContact CG2-CE2 4.3Å; V60-L113 HydrophobicContact CB-CD2 4.44Å; V60-L113 HydrophobicContact CG1-CD2 4.06Å; V60-L113 HydrophobicContact CG2-CD2 3.47Å; V60-L113 VanDerWaalsContact CG2-CD2 3.47Å
61	L	93	Very high	87.6	Confident	7 Å²	7	55 Å²	55	4%	0.037	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.5	173.1	-166.4	78.5	0	0	0	110.8	L35 R40 D41 G42 S43 H65 V66	L35-L61 HydrophobicContact CB-CB 4.39Å; L35-L61 HydrophobicContact CB-CD1 4.46Å; L35-L61 HydrophobicContact CD2-CB 4.46Å; L35-L61 WeakPolarHBondContact O-CD2 3.49Å; R40-L61 WeakPolarHBondContact O-CD2 3.45Å; D41-L61 WeakPolarHBondContact CA-O 3.28Å; G42-L61 PolarHBondContact N-O 3.15Å; S43-L61 PolarHBondContact O-N 2.99Å; L61-H65 WeakPolarHBondContact CA-O 3.48Å; L61-V66 HydrophobicContact CD1-CG2 3.66Å
62	Y	91.9	Very high	88.1	Confident	67 Å²	67	53.7 Å²	53.7	26%	0.263	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	134.7	171	-175.1	-108.9	0	0	0	111.2	D41 K64 H65 V110 C111	D41-Y62 HydrophobicContact CB-CD2 4Å; D41-Y62 WeakPolarHBondContact OD1-CA 3.43Å; Y62-K64 PolarHBondContact O-N 3.3Å; Y62-K64 VanDerWaalsContact O-N 3.12Å; Y62-H65 PolarHBondContact N-O 3.46Å; Y62-H65 PolarHBondContact O-N 3.22Å; Y62-H65 VanDerWaalsContact O-O 3.12Å; Y62-V110 HydrophobicContact CD1-CB 4.35Å; Y62-V110 HydrophobicContact CD1-CG1 4.14Å; Y62-V110 HydrophobicContact CD1-CG2 3.4Å; Y62-V110 HydrophobicContact CE1-CG2 3.8Å; Y62-V110 HydrophobicContact CG-CG1 4.04Å; Y62-V110 HydrophobicContact CG-CG2 4.14Å; Y62-C111 HydrophobicContact CD2-CB 3.5Å; Y62-C111 VanDerWaalsContact CD2-CB 3.5Å; Y62-C111 HydrophobicContact CE2-CB 3.84Å; Y62-C111 HydrophobicContact CG-CB 4.16Å
63	Q	88.3	Confident	88.1	Confident	122 Å²	122	53.5 Å²	53.5	57%	0.57	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	42.4	-177.3	-62.8	-176.8	19	0	0	113.2	D41 H65	D41-Q63 PolarHBondContact OD1-N 2.99Å; D41-Q63 PolarHBondContact OD2-N 3.43Å; D41-Q63 VanDerWaalsContact OD2-N 3.1Å; Q63-H65 PolarHBondContact O-N 3.44Å; Q63-H65 PolarHBondContact O-ND1 2.96Å
64	K	85.2	Confident	87.9	Confident	193 Å²	193	51.6 Å²	51.6	84%	0.839	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	11.6	-175.5	-50.1	-177.8	179.6	-177.3	0	116.3	Y62	Y62-K64 PolarHBondContact O-N 3.3Å; Y62-K64 VanDerWaalsContact O-N 3.12Å
65	H	83.5	Confident	87.1	Confident	128 Å²	128	52.7 Å²	52.7	59%	0.593	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.6	174.1	-64.9	76.7	0	0	0	109.9	L61 Y62 Q63	L61-H65 WeakPolarHBondContact CA-O 3.48Å; Y62-H65 PolarHBondContact N-O 3.46Å; Y62-H65 PolarHBondContact O-N 3.22Å; Y62-H65 VanDerWaalsContact O-O 3.12Å; Q63-H65 PolarHBondContact O-N 3.44Å; Q63-H65 PolarHBondContact O-ND1 2.96Å
66	V	90.9	Very high	86.4	Confident	36 Å²	36	58.6 Å²	58.6	22%	0.218	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.9	173.1	176.3	0	0	0	0	108.8	E32 L35 C59 V60 L61	E32-V66 HydrophobicContact CG-CB 4.09Å; E32-V66 HydrophobicContact CG-CG1 4Å; E32-V66 HydrophobicContact CG-CG2 4.37Å; L35-V66 HydrophobicContact CB-CG2 3.87Å; L35-V66 HydrophobicContact CD1-CG1 3.64Å; L35-V66 HydrophobicContact CD1-CG2 4.1Å; C59-V66 HydrophobicContact CB-CG1 4.15Å; V60-V66 CarbonylContact O-C 3.37Å; V60-V66 WeakPolarHBondContact O-CA 3.47Å; L61-V66 HydrophobicContact CD1-CG2 3.66Å
67	H	88.7	Confident	85.4	Confident	65 Å²	65	63.8 Å²	63.8	30%	0.301	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.8	176.5	-66.3	-102.6	0	0	0	109.1	C59 V60 Y69 V110	C59-H67 WeakPolarHBondContact CA-O 3.44Å; V60-H67 PolarHBondContact N-O 3.37Å; V60-H67 PolarHBondContact O-N 3.12Å; H67-Y69 HydrophobicContact CB-CE2 3.75Å; H67-V110 HydrophobicContact CB-CG1 4.13Å
68	T	90.8	Very high	84.9	Confident	59 Å²	59	66.4 Å²	66.4	36%	0.362	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.2	-178	-56.7	0	0	0	0	110.4	A57 L58	A57-T68 HydrophobicContact CB-CG2 3.95Å; L58-T68 CarbonylContact O-C 3.36Å; L58-T68 WeakPolarHBondContact O-CA 3.45Å
69	Y	89.5	Confident	84.4	Confident	46 Å²	46	67.2 Å²	67.2	18%	0.18	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.8	178.4	-63.1	-86.1	0	0	0	109.7	L58 V60 H67 V81 L109 V110	L58-Y69 PolarHBondContact N-O 3.28Å; L58-Y69 PolarHBondContact O-N 2.9Å; V60-Y69 HydrophobicContact CG2-CD2 4.25Å; V60-Y69 HydrophobicContact CG2-CE2 4.3Å; H67-Y69 HydrophobicContact CB-CE2 3.75Å; Y69-V81 HydrophobicContact CD1-CG1 4.42Å; Y69-L109 HydrophobicContact CD1-CD2 3.65Å; Y69-L109 HydrophobicContact CD2-CD2 3.91Å; Y69-L109 HydrophobicContact CE1-CD2 3.65Å; Y69-L109 HydrophobicContact CE2-CB 4.33Å; Y69-L109 HydrophobicContact CE2-CD2 3.91Å; Y69-L109 HydrophobicContact CE2-CG 4.49Å; Y69-L109 HydrophobicContact CG-CD2 3.78Å; Y69-V110 WeakPolarHBondContact OH-CB 3.49Å; Y69-V110 PolarHBondContact OH-N 3.33Å
70	R	88.8	Confident	83.9	Confident	80 Å²	80	67.6 Å²	67.6	30%	0.302	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.1	-179.9	-163	179.3	-165.4	167.9	0.7	110.1	S51 L72 V81 Q82	S51-R70 PolarHBondContact OG-NH2 3.36Å; S51-R70 VanDerWaalsContact OG-NH2 3.13Å; R70-L72 HydrophobicContact CG-CD2 4.09Å; R70-L72 HydrophobicContact CG-CG 4.32Å; R70-V81 WeakPolarHBondContact O-CA 3.29Å; R70-Q82 HydrophobicContact CB-CB 4.22Å; R70-Q82 VanDerWaalsContact CD-OE1 3.3Å; R70-Q82 PolarHBondContact O-N 2.86Å
71	I	89.7	Confident	83.4	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.3	174.2	-58.7	169.2	0	0	0	107.1	A55 F56 L58 L79 A80 V81 L95 L98	A55-I71 WeakPolarHBondContact CA-O 3.29Å; A55-I71 WeakPolarHBondContact CB-O 3.39Å; F56-I71 HydrophobicContact CB-CB 4.11Å; F56-I71 HydrophobicContact CB-CD1 4.4Å; F56-I71 HydrophobicContact CD2-CG2 4.41Å; F56-I71 PolarHBondContact N-O 3.22Å; F56-I71 PolarHBondContact O-N 3.49Å; L58-I71 HydrophobicContact CB-CD1 3.98Å; I71-L79 HydrophobicContact CG2-CB 3.95Å; I71-L79 HydrophobicContact CG2-CD2 4.26Å; I71-A80 CarbonylContact C-O 3.58Å; I71-A80 VanDerWaalsContact CA-O 3.32Å; I71-A80 WeakPolarHBondContact CA-O 3.37Å; I71-V81 HydrophobicContact CG1-CG2 4.19Å; I71-L95 HydrophobicContact CD1-CD2 3.78Å; I71-L95 HydrophobicContact CG2-CD2 4.29Å; I71-L98 HydrophobicContact CD1-CD1 3.84Å; I71-L98 HydrophobicContact CD1-CD2 3.72Å; I71-L98 HydrophobicContact CD1-CG 4.48Å; I71-L98 HydrophobicContact CG1-CD1 4.04Å; I71-L98 HydrophobicContact CG1-CD2 4.47Å; I71-L98 HydrophobicContact CG2-CD1 3.84Å
72	L	85.4	Confident	82.7	Confident	57 Å²	57	73.1 Å²	73.1	30%	0.298	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.6	179.5	-63.4	175.5	0	0	0	110	A55 R70 A80	A55-L72 HydrophobicContact CB-CD2 3.84Å; R70-L72 HydrophobicContact CG-CD2 4.09Å; R70-L72 HydrophobicContact CG-CG 4.32Å; L72-A80 PolarHBondContact N-O 3.39Å; L72-A80 PolarHBondContact O-N 2.87Å
73	P	79.7	Confident	81.6	Confident	61 Å²	61	72.3 Å²	72.3	40%	0.396	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.5	160	31	-32.2	0	0	0	109.9	F78 L79	P73-F78 CarbonylContact C-O 3.5Å; P73-F78 WeakPolarHBondContact CA-O 3.48Å; P73-L79 HydrophobicContact CB-CD2 4.42Å
74	D	72	Confident	80.1	Confident	62 Å²	62	70.6 Å²	70.6	33%	0.332	38%	0.378	S	S	.	.			trans	-84.6	169.3	169.6	-155.8	-24.9	0	0	0	109.8	E76 D77 F78 R91	D74-E76 PolarHBondContact O-N 3.04Å; D74-D77 PolarHBondContact O-N 2.86Å; D74-D77 VanDerWaalsContact O-N 3.07Å; D74-F78 WeakPolarHBondContact CB-O 3.11Å; D74-F78 PolarHBondContact N-O 2.67Å; D74-R91 IonicContact OD1-NH2 3.04Å; D74-R91 IonicContact OD2-CZ 3.42Å; D74-R91 IonicContact OD2-NE 3.01Å; D74-R91 PolarHBondContact OD2-NE 2.95Å; D74-R91 IonicContact OD2-NH2 3.39Å; D74-R91 PolarHBondContact OD2-NH2 3.03Å
75	G	63.1	Low	78.1	Confident	79 Å²	79	70.7 Å²	70.7	81%	0.814	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	4.9	-176.9	0	0	0	0	0	116.2
76	E	70.3	Confident	76.5	Confident	124 Å²	124	68.7 Å²	68.7	58%	0.579	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	23	178.5	-61.2	-179.8	122.5	0	0	111.1	D74 F78 R91	D74-E76 PolarHBondContact O-N 3.04Å; E76-F78 HydrophobicContact CB-CD2 3.81Å; E76-F78 HydrophobicContact CB-CE2 4.17Å; E76-F78 WeakPolarHBondContact O-CD2 3.32Å; E76-F78 PolarHBondContact O-N 3.33Å; E76-F78 VanDerWaalsContact O-N 3.09Å; E76-R91 IonicContact OE2-CZ 2.68Å; E76-R91 IonicContact OE2-NH1 3.68Å; E76-R91 PolarHBondContact OE2-NH1 3.26Å; E76-R91 IonicContact OE2-NH2 2.66Å
77	D	69.9	Low	75	Confident	146 Å²	146	70.4 Å²	70.4	78%	0.781	41%	0.405	S	S	*	.	S	Bend	trans	61.4	5.5	-176.5	-70.3	-38.9	0	0	0	116.4	D74	D74-D77 PolarHBondContact O-N 2.86Å; D74-D77 VanDerWaalsContact O-N 3.07Å
78	F	81.4	Confident	73.6	Confident	60 Å²	60	72.5 Å²	72.5	26%	0.263	43%	0.425	S	S	.	.			trans	-72.6	138.9	172	-72.2	-96.6	0	0	0	112	P73 D74 E76 R91 F92 Q93	P73-F78 CarbonylContact C-O 3.5Å; P73-F78 WeakPolarHBondContact CA-O 3.48Å; D74-F78 WeakPolarHBondContact CB-O 3.11Å; D74-F78 PolarHBondContact N-O 2.67Å; E76-F78 HydrophobicContact CB-CD2 3.81Å; E76-F78 HydrophobicContact CB-CE2 4.17Å; E76-F78 WeakPolarHBondContact O-CD2 3.32Å; E76-F78 PolarHBondContact O-N 3.33Å; E76-F78 VanDerWaalsContact O-N 3.09Å; F78-R91 HydrophobicContact CB-CB 4.02Å; F78-R91 HydrophobicContact CB-CG 4.22Å; F78-R91 HydrophobicContact CD1-CB 4.07Å; F78-R91 HydrophobicContact CG-CB 4.27Å; F78-F92 CarbonylContact C-O 3.56Å; F78-F92 WeakPolarHBondContact CA-O 3.44Å; F78-Q93 HydrophobicContact CD1-CG 3.91Å; F78-Q93 HydrophobicContact CE1-CG 3.48Å; F78-Q93 VanDerWaalsContact CE1-CG 3.48Å; F78-Q93 HydrophobicContact CZ-CG 4.29Å
79	L	83.9	Confident	72.6	Confident	18 Å²	18	73.8 Å²	73.8	9%	0.094	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.3	174	-60.3	176.3	0	0	0	111	F56 I71 P73 R91 F92 L95 L98	F56-L79 HydrophobicContact CD2-CD2 4.24Å; F56-L79 HydrophobicContact CE2-CD1 4.41Å; F56-L79 HydrophobicContact CE2-CD2 4.03Å; I71-L79 HydrophobicContact CG2-CB 3.95Å; I71-L79 HydrophobicContact CG2-CD2 4.26Å; P73-L79 HydrophobicContact CB-CD2 4.42Å; L79-R91 CarbonylContact O-C 3.58Å; L79-R91 WeakPolarHBondContact O-CA 3.48Å; L79-F92 PolarHBondContact N-O 3.28Å; L79-F92 WeakPolarHBondContact O-CD2 2.98Å; L79-F92 PolarHBondContact O-N 3.34Å; L79-L95 HydrophobicContact CD1-CB 4.5Å; L79-L95 HydrophobicContact CD1-CD2 3.79Å; L79-L95 HydrophobicContact CD1-CG 3.71Å; L79-L98 HydrophobicContact CB-CD1 4.45Å
80	A	82.4	Confident	72.1	Confident	10 Å²	10	76.8 Å²	76.8	8%	0.083	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.3	175.9	0	0	0	0	0	111.8	I71 L72 V89	I71-A80 CarbonylContact C-O 3.58Å; I71-A80 VanDerWaalsContact CA-O 3.32Å; I71-A80 WeakPolarHBondContact CA-O 3.37Å; L72-A80 PolarHBondContact N-O 3.39Å; L72-A80 PolarHBondContact O-N 2.87Å; A80-V89 HydrophobicContact CB-CG1 3.59Å
81	V	83.1	Confident	71.9	Confident	7 Å²	7	78.9 Å²	78.9	4%	0.042	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.9	168.7	-179.7	0	0	0	0	108.9	Y69 R70 I71 T83 L98 Y102	Y69-V81 HydrophobicContact CD1-CG1 4.42Å; R70-V81 WeakPolarHBondContact O-CA 3.29Å; I71-V81 HydrophobicContact CG1-CG2 4.19Å; V81-T83 PolarHBondContact O-N 2.84Å; V81-T83 VanDerWaalsContact O-N 3.14Å; V81-L98 HydrophobicContact CG2-CD1 3.96Å; V81-L98 HydrophobicContact CG2-CD2 4.18Å; V81-L98 HydrophobicContact CG2-CG 4.22Å; V81-Y102 HydrophobicContact CB-CE2 4.43Å; V81-Y102 HydrophobicContact CG2-CD2 4.34Å; V81-Y102 HydrophobicContact CG2-CE2 3.48Å; V81-Y102 VanDerWaalsContact CG2-CE2 3.48Å
82	Q	78.6	Confident	71.7	Confident	115 Å²	115	79.7 Å²	79.7	54%	0.537	45%	0.454	S	S	.	.			trans	-67.3	109.5	176.5	-171.6	174.4	12.9	0	0	110.5	R70	R70-Q82 HydrophobicContact CB-CB 4.22Å; R70-Q82 VanDerWaalsContact CD-OE1 3.3Å; R70-Q82 PolarHBondContact O-N 2.86Å
83	T	69.3	Low	71.5	Confident	51 Å²	51	83.4 Å²	83.4	31%	0.313	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-94.7	165.5	176.8	52.6	0	0	0	0	112.3	V81 V87	V81-T83 PolarHBondContact O-N 2.84Å; V81-T83 VanDerWaalsContact O-N 3.14Å; T83-V87 HydrophobicContact CG2-CB 4.39Å; T83-V87 HydrophobicContact CG2-CG1 3.99Å; T83-V87 PolarHBondContact OG1-O 3.02Å
84	S	55.1	Low	71.8	Confident	86 Å²	86	83.9 Å²	83.9	60%	0.601	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-67.5	152.2	165.5	52.4	0	0	0	0	111.2	V87	S84-V87 PolarHBondContact O-N 2.82Å
85	Q	43.2	Very low	72.4	Confident	195 Å²	195	82 Å²	82	91%	0.911	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	141.2	176.1	-67.6	-178.6	-9.3	0	0	111.3
86	G	51.3	Low	73.4	Confident	85 Å²	85	80.3 Å²	80.3	88%	0.876	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-15.1	-176.5	0	0	0	0	0	116
87	V	58.6	Low	74.2	Confident	72 Å²	72	78.8 Å²	78.8	44%	0.436	44%	0.437	S	S	.	.	S	Bend	trans	-91.7	125.2	177.7	-179.9	0	0	0	0	110.5	T83 S84 V89	T83-V87 HydrophobicContact CG2-CB 4.39Å; T83-V87 HydrophobicContact CG2-CG1 3.99Å; T83-V87 PolarHBondContact OG1-O 3.02Å; S84-V87 PolarHBondContact O-N 2.82Å; V87-V89 PolarHBondContact O-N 3.25Å
88	P	60.1	Low	75.1	Confident	110 Å²	110	71.8 Å²	71.8	71%	0.714	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-63.4	119.6	-176.9	24.6	-33.9	0	0	0	112	R90	P88-R90 PolarHBondContact O-N 3.09Å
89	V	70.3	Confident	75.5	Confident	85 Å²	85	69.5 Å²	69.5	52%	0.515	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68	124.7	-177.9	-177.5	0	0	0	0	110.1	A80 V87	A80-V89 HydrophobicContact CB-CG1 3.59Å; V87-V89 PolarHBondContact O-N 3.25Å
90	R	78.7	Confident	75.7	Confident	109 Å²	109	70.8 Å²	70.8	41%	0.411	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-93.1	126.7	174.8	-60.7	-172.6	-172.3	179.7	7.3	109.9	P88 F92	P88-R90 PolarHBondContact O-N 3.09Å; R90-F92 HydrophobicContact CB-CE2 3.81Å; R90-F92 HydrophobicContact CB-CZ 3.89Å; R90-F92 WeakPolarHBondContact O-CE2 3.33Å
91	R	84.3	Confident	75.9	Confident	125 Å²	125	72.3 Å²	72.3	47%	0.472	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	141.3	177	-71	176.9	172.7	-177.3	-6.3	110.4	D74 E76 F78 L79	D74-R91 IonicContact OD1-NH2 3.04Å; D74-R91 IonicContact OD2-CZ 3.42Å; D74-R91 IonicContact OD2-NE 3.01Å; D74-R91 PolarHBondContact OD2-NE 2.95Å; D74-R91 IonicContact OD2-NH2 3.39Å; D74-R91 PolarHBondContact OD2-NH2 3.03Å; E76-R91 IonicContact OE2-CZ 2.68Å; E76-R91 IonicContact OE2-NH1 3.68Å; E76-R91 PolarHBondContact OE2-NH1 3.26Å; E76-R91 IonicContact OE2-NH2 2.66Å; F78-R91 HydrophobicContact CB-CB 4.02Å; F78-R91 HydrophobicContact CB-CG 4.22Å; F78-R91 HydrophobicContact CD1-CB 4.07Å; F78-R91 HydrophobicContact CG-CB 4.27Å; L79-R91 CarbonylContact O-C 3.58Å; L79-R91 WeakPolarHBondContact O-CA 3.48Å
92	F	85.2	Confident	76.1	Confident	16 Å²	16	72.6 Å²	72.6	7%	0.07	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147	-179.6	-55.5	-89.7	0	0	0	109.5	F78 L79 R90 E97 L98 L101 Y102	F78-F92 CarbonylContact C-O 3.56Å; F78-F92 WeakPolarHBondContact CA-O 3.44Å; L79-F92 PolarHBondContact N-O 3.28Å; L79-F92 WeakPolarHBondContact O-CD2 2.98Å; L79-F92 PolarHBondContact O-N 3.34Å; R90-F92 HydrophobicContact CB-CE2 3.81Å; R90-F92 HydrophobicContact CB-CZ 3.89Å; R90-F92 WeakPolarHBondContact O-CE2 3.33Å; F92-E97 HydrophobicContact CB-CB 4.42Å; F92-E97 HydrophobicContact CD1-CB 4.13Å; F92-L98 HydrophobicContact CB-CB 4.14Å; F92-L98 HydrophobicContact CD1-CB 4.12Å; F92-L98 HydrophobicContact CD2-CB 3.97Å; F92-L98 HydrophobicContact CD2-CD1 3.81Å; F92-L98 HydrophobicContact CD2-CG 3.89Å; F92-L98 HydrophobicContact CE2-CB 4.4Å; F92-L98 HydrophobicContact CE2-CD1 4.25Å; F92-L98 HydrophobicContact CE2-CG 4.04Å; F92-L98 HydrophobicContact CG-CB 3.81Å; F92-L98 HydrophobicContact CG-CD1 4.4Å; F92-L98 HydrophobicContact CG-CG 4.27Å; F92-L101 HydrophobicContact CE1-CB 3.9Å; F92-L101 HydrophobicContact CE1-CD1 3.97Å; F92-L101 HydrophobicContact CE1-CG 4.34Å; F92-L101 HydrophobicContact CZ-CB 4.38Å; F92-L101 HydrophobicContact CZ-CD1 4.29Å; F92-L101 HydrophobicContact CZ-CD2 4.25Å; F92-Y102 HydrophobicContact CE2-CE2 4.03Å; F92-Y102 AromaticContact CZ-CE2 3.93Å; F92-Y102 HydrophobicContact CZ-CE2 3.93Å
93	Q	81.2	Confident	76.6	Confident	136 Å²	136	69.2 Å²	69.2	64%	0.636	41%	0.406	S	S	*	.	S	Bend	trans	-84.9	-24.2	176.1	-66.1	-175	-1.6	0	0	112	F78 E97	F78-Q93 HydrophobicContact CD1-CG 3.91Å; F78-Q93 HydrophobicContact CE1-CG 3.48Å; F78-Q93 VanDerWaalsContact CE1-CG 3.48Å; F78-Q93 HydrophobicContact CZ-CG 4.29Å; Q93-E97 WeakPolarHBondContact CA-OE2 3.49Å; Q93-E97 WeakPolarHBondContact CB-OE2 3.41Å; Q93-E97 PolarHBondContact N-OE2 3.43Å
94	T	85.3	Confident	77.2	Confident	71 Å²	71	72 Å²	72	44%	0.436	42%	0.416	S	S	.	.	S	Bend	trans	-138.1	156.4	177.3	70.7	0	0	0	0	113.2	G96 E97 L98	T94-G96 PolarHBondContact O-N 3.49Å; T94-G96 PolarHBondContact OG1-N 3.39Å; T94-E97 PolarHBondContact N-OE2 2.92Å; T94-E97 PolarHBondContact O-N 3.16Å; T94-E97 WeakPolarHBondContact OG1-CG 3.45Å; T94-E97 PolarHBondContact OG1-N 2.93Å; T94-L98 PolarHBondContact O-N 3.3Å
95	L	84.7	Confident	78.3	Confident	23 Å²	23	72.2 Å²	72.2	12%	0.12	42%	0.415	C	S	.	.	H	α-helix	trans	-58.3	-30	168.3	-72	173	0	0	0	111.9	W21 V46 F56 I71 L79 L98 I99	W21-L95 HydrophobicContact CH2-CB 3.79Å; W21-L95 HydrophobicContact CZ3-CB 4.17Å; V46-L95 HydrophobicContact CG1-CD1 4.35Å; V46-L95 HydrophobicContact CG1-CD2 4.42Å; F56-L95 HydrophobicContact CB-CD2 4.39Å; F56-L95 HydrophobicContact CD1-CD1 4.08Å; F56-L95 HydrophobicContact CD2-CD1 4.07Å; F56-L95 HydrophobicContact CD2-CD2 3.91Å; F56-L95 HydrophobicContact CD2-CG 4.3Å; F56-L95 HydrophobicContact CE1-CD1 4.1Å; F56-L95 HydrophobicContact CE2-CD1 4.08Å; F56-L95 HydrophobicContact CE2-CD2 4.46Å; F56-L95 HydrophobicContact CE2-CG 4.39Å; F56-L95 HydrophobicContact CG-CD1 4.07Å; F56-L95 HydrophobicContact CG-CD2 4.19Å; F56-L95 HydrophobicContact CZ-CD1 4.1Å; I71-L95 HydrophobicContact CD1-CD2 3.78Å; I71-L95 HydrophobicContact CG2-CD2 4.29Å; L79-L95 HydrophobicContact CD1-CB 4.5Å; L79-L95 HydrophobicContact CD1-CD2 3.79Å; L79-L95 HydrophobicContact CD1-CG 3.71Å; L95-L98 PolarHBondContact O-N 3.1Å; L95-I99 WeakPolarHBondContact O-CB 3.49Å; L95-I99 VanDerWaalsContact O-CG1 3.25Å; L95-I99 WeakPolarHBondContact O-CG1 3.32Å; L95-I99 PolarHBondContact O-N 2.65Å
96	G	85.4	Confident	79.8	Confident	42 Å²	42	70.9 Å²	70.9	43%	0.433	41%	0.414	S	S	.	.	H	α-helix	trans	-64.7	-42.4	178.2	0	0	0	0	0	113.1	T94 G100	T94-G96 PolarHBondContact O-N 3.49Å; T94-G96 PolarHBondContact OG1-N 3.39Å; G96-G100 PolarHBondContact O-N 3.08Å
97	E	85.6	Confident	81.3	Confident	92 Å²	92	69.1 Å²	69.1	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-42.8	174.4	-68.2	165.9	164.7	0	0	111.9	F92 Q93 T94 G100 L101	F92-E97 HydrophobicContact CB-CB 4.42Å; F92-E97 HydrophobicContact CD1-CB 4.13Å; Q93-E97 WeakPolarHBondContact CA-OE2 3.49Å; Q93-E97 WeakPolarHBondContact CB-OE2 3.41Å; Q93-E97 PolarHBondContact N-OE2 3.43Å; T94-E97 PolarHBondContact N-OE2 2.92Å; T94-E97 PolarHBondContact O-N 3.16Å; T94-E97 WeakPolarHBondContact OG1-CG 3.45Å; T94-E97 PolarHBondContact OG1-N 2.93Å; E97-G100 PolarHBondContact O-N 3.39Å; E97-L101 PolarHBondContact O-N 3.11Å
98	L	89.3	Confident	82	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-58.6	-53.2	177.8	-173.6	155	0	0	0	110.5	L58 I71 L79 V81 F92 T94 L95 G100 L101 Y102	L58-L98 HydrophobicContact CD2-CD2 4.34Å; I71-L98 HydrophobicContact CD1-CD1 3.84Å; I71-L98 HydrophobicContact CD1-CD2 3.72Å; I71-L98 HydrophobicContact CD1-CG 4.48Å; I71-L98 HydrophobicContact CG1-CD1 4.04Å; I71-L98 HydrophobicContact CG1-CD2 4.47Å; I71-L98 HydrophobicContact CG2-CD1 3.84Å; L79-L98 HydrophobicContact CB-CD1 4.45Å; V81-L98 HydrophobicContact CG2-CD1 3.96Å; V81-L98 HydrophobicContact CG2-CD2 4.18Å; V81-L98 HydrophobicContact CG2-CG 4.22Å; F92-L98 HydrophobicContact CB-CB 4.14Å; F92-L98 HydrophobicContact CD1-CB 4.12Å; F92-L98 HydrophobicContact CD2-CB 3.97Å; F92-L98 HydrophobicContact CD2-CD1 3.81Å; F92-L98 HydrophobicContact CD2-CG 3.89Å; F92-L98 HydrophobicContact CE2-CB 4.4Å; F92-L98 HydrophobicContact CE2-CD1 4.25Å; F92-L98 HydrophobicContact CE2-CG 4.04Å; F92-L98 HydrophobicContact CG-CB 3.81Å; F92-L98 HydrophobicContact CG-CD1 4.4Å; F92-L98 HydrophobicContact CG-CG 4.27Å; T94-L98 PolarHBondContact O-N 3.3Å; L95-L98 PolarHBondContact O-N 3.1Å; L98-G100 PolarHBondContact O-N 3.5Å; L98-L101 PolarHBondContact O-N 2.87Å; L98-Y102 HydrophobicContact CD2-CD2 3.81Å; L98-Y102 HydrophobicContact CD2-CE2 4.13Å; L98-Y102 HydrophobicContact CG-CD2 4.06Å; L98-Y102 HydrophobicContact CG-CE2 4.02Å; L98-Y102 WeakPolarHBondContact O-CD2 3.46Å; L98-Y102 PolarHBondContact O-N 2.86Å
99	I	91	Very high	83	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.056	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-39.9	177.4	-63.6	-62.4	0	0	0	111.3	W21 F44 V46 L58 L95 L101 Y102 A103 L113	W21-I99 HydrophobicContact CD2-CG1 4.46Å; W21-I99 HydrophobicContact CE3-CG1 4.23Å; W21-I99 HydrophobicContact CH2-CG1 3.89Å; W21-I99 HydrophobicContact CZ2-CB 4.31Å; W21-I99 HydrophobicContact CZ2-CG1 4.09Å; W21-I99 HydrophobicContact CZ3-CG1 3.96Å; F44-I99 HydrophobicContact CD2-CD1 4.37Å; F44-I99 HydrophobicContact CE2-CD1 4.12Å; F44-I99 HydrophobicContact CE2-CG2 3.64Å; F44-I99 HydrophobicContact CZ-CG2 3.82Å; V46-I99 HydrophobicContact CG2-CD1 3.63Å; V46-I99 HydrophobicContact CG2-CG1 4.22Å; L58-I99 HydrophobicContact CD1-CD1 3.79Å; L58-I99 HydrophobicContact CD2-CD1 4.11Å; L95-I99 WeakPolarHBondContact O-CB 3.49Å; L95-I99 VanDerWaalsContact O-CG1 3.25Å; L95-I99 WeakPolarHBondContact O-CG1 3.32Å; L95-I99 PolarHBondContact O-N 2.65Å; I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 3.13Å; I99-Y102 PolarHBondContact O-N 3.09Å; I99-A103 WeakPolarHBondContact O-CB 3.42Å; I99-A103 PolarHBondContact O-N 3.43Å; I99-L113 HydrophobicContact CB-CD1 4.39Å; I99-L113 HydrophobicContact CD1-CD1 3.53Å; I99-L113 HydrophobicContact CG2-CD1 4.01Å
100	G	86.8	Confident	83.7	Confident	45 Å²	45	63.2 Å²	63.2	46%	0.464	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-33.6	177	0	0	0	0	0	114	G96 E97 L98	G96-G100 PolarHBondContact O-N 3.08Å; E97-G100 PolarHBondContact O-N 3.39Å; L98-G100 PolarHBondContact O-N 3.5Å
101	L	87.5	Confident	84.1	Confident	43 Å²	43	59.2 Å²	59.2	23%	0.225	35%	0.346	C	S	.	.	H	α-helix	trans	-74.1	-49.2	172.5	-175.5	142.7	0	0	0	111.4	F92 E97 L98 I99 A103 Q104 Q107	F92-L101 HydrophobicContact CE1-CB 3.9Å; F92-L101 HydrophobicContact CE1-CD1 3.97Å; F92-L101 HydrophobicContact CE1-CG 4.34Å; F92-L101 HydrophobicContact CZ-CB 4.38Å; F92-L101 HydrophobicContact CZ-CD1 4.29Å; F92-L101 HydrophobicContact CZ-CD2 4.25Å; E97-L101 PolarHBondContact O-N 3.11Å; L98-L101 PolarHBondContact O-N 2.87Å; I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 3.13Å; L101-A103 PolarHBondContact O-N 2.76Å; L101-Q104 WeakPolarHBondContact O-CB 3.5Å; L101-Q104 PolarHBondContact O-N 2.83Å; L101-Q107 HydrophobicContact CD2-CB 3.85Å; L101-Q107 HydrophobicContact CD2-CG 3.95Å
102	Y	87.8	Confident	84.3	Confident	13 Å²	13	54 Å²	54	5%	0.051	33%	0.33	C	S	.	.	H	α-helix	trans	-74.2	-8.9	-176	-71.1	-64.2	0	0	0	114.6	V81 F92 L98 I99 Q104 Q107 L109 L113	V81-Y102 HydrophobicContact CB-CE2 4.43Å; V81-Y102 HydrophobicContact CG2-CD2 4.34Å; V81-Y102 HydrophobicContact CG2-CE2 3.48Å; V81-Y102 VanDerWaalsContact CG2-CE2 3.48Å; F92-Y102 HydrophobicContact CE2-CE2 4.03Å; F92-Y102 AromaticContact CZ-CE2 3.93Å; F92-Y102 HydrophobicContact CZ-CE2 3.93Å; L98-Y102 HydrophobicContact CD2-CD2 3.81Å; L98-Y102 HydrophobicContact CD2-CE2 4.13Å; L98-Y102 HydrophobicContact CG-CD2 4.06Å; L98-Y102 HydrophobicContact CG-CE2 4.02Å; L98-Y102 WeakPolarHBondContact O-CD2 3.46Å; L98-Y102 PolarHBondContact O-N 2.86Å; I99-Y102 PolarHBondContact O-N 3.09Å; Y102-Q104 PolarHBondContact O-N 3.45Å; Y102-Q107 HydrophobicContact CD1-CB 3.82Å; Y102-Q107 HydrophobicContact CE1-CB 4.17Å; Y102-Q107 WeakPolarHBondContact CE1-O 3.35Å; Y102-L109 HydrophobicContact CD1-CD1 3.95Å; Y102-L109 HydrophobicContact CD1-CD2 4.06Å; Y102-L109 HydrophobicContact CD1-CG 3.57Å; Y102-L109 HydrophobicContact CE1-CD2 4.12Å; Y102-L109 HydrophobicContact CE1-CG 4.09Å; Y102-L109 HydrophobicContact CG-CD1 3.9Å; Y102-L109 HydrophobicContact CG-CG 4.04Å; Y102-L113 PolarHBondContact O-N 2.82Å
103	A	87.9	Confident	84.7	Confident	44 Å²	44	53.6 Å²	53.6	36%	0.364	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.5	163.3	0	0	0	0	0	113.6	I99 L101 L113	I99-A103 WeakPolarHBondContact O-CB 3.42Å; I99-A103 PolarHBondContact O-N 3.43Å; L101-A103 PolarHBondContact O-N 2.76Å; A103-L113 WeakPolarHBondContact CA-O 3.3Å; A103-L113 HydrophobicContact CB-CB 4.4Å
104	Q	82.6	Confident	85	Confident	110 Å²	110	52.4 Å²	52.4	51%	0.514	33%	0.326	S	S	.	.	S	Bend	trans	-86.3	145.7	173.6	-56.3	-174.7	14.5	0	0	111.5	L101 Y102 Q107	L101-Q104 WeakPolarHBondContact O-CB 3.5Å; L101-Q104 PolarHBondContact O-N 2.83Å; Y102-Q104 PolarHBondContact O-N 3.45Å; Q104-Q107 HydrophobicContact CB-CG 3.9Å; Q104-Q107 WeakPolarHBondContact O-CG 3.43Å
105	P	77.9	Confident	85.2	Confident	90 Å²	90	52.1 Å²	52.1	58%	0.584	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	156.9	175.8	28	-35.1	0	0	0	112.5	Q107	P105-Q107 PolarHBondContact O-N 3.45Å
106	N	74.8	Confident	85.5	Confident	166 Å²	166	54 Å²	54	89%	0.888	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	20.2	173.8	-57.9	-5.8	0	0	0	116.2	G108	N106-G108 VanDerWaalsContact C-N 3.33Å; N106-G108 PolarHBondContact O-N 2.86Å
107	Q	81.5	Confident	85.7	Confident	49 Å²	49	52.8 Å²	52.8	23%	0.229	32%	0.319	C	S	.	.	S	Bend	trans	-83.7	1.8	179.4	-61.5	-59.1	-25.5	0	0	115.3	L101 Y102 Q104 P105	L101-Q107 HydrophobicContact CD2-CB 3.85Å; L101-Q107 HydrophobicContact CD2-CG 3.95Å; Y102-Q107 HydrophobicContact CD1-CB 3.82Å; Y102-Q107 HydrophobicContact CE1-CB 4.17Å; Y102-Q107 WeakPolarHBondContact CE1-O 3.35Å; Q104-Q107 HydrophobicContact CB-CG 3.9Å; Q104-Q107 WeakPolarHBondContact O-CG 3.43Å; P105-Q107 PolarHBondContact O-N 3.45Å
108	G	73.3	Confident	85.5	Confident	67 Å²	67	54.6 Å²	54.6	69%	0.691	33%	0.328	S	S	*	.	S	Bend	trans	111.1	-2.3	175.1	0	0	0	0	0	116.1	N106	N106-G108 VanDerWaalsContact C-N 3.33Å; N106-G108 PolarHBondContact O-N 2.86Å
109	L	82.9	Confident	84.4	Confident	24 Å²	24	56.4 Å²	56.4	13%	0.126	35%	0.346	C	S	.	.	S	Bend	trans	-85.6	163	164.2	-54	-170.9	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 3.91Å; Y69-L109 HydrophobicContact CE1-CD2 3.65Å; Y69-L109 HydrophobicContact CE2-CB 4.33Å; Y69-L109 HydrophobicContact CE2-CD2 3.91Å; Y69-L109 HydrophobicContact CE2-CG 4.49Å; Y69-L109 HydrophobicContact CG-CD2 3.78Å; Y102-L109 HydrophobicContact CD1-CD1 3.95Å; Y102-L109 HydrophobicContact CD1-CD2 4.06Å; Y102-L109 HydrophobicContact CD1-CG 3.57Å; Y102-L109 HydrophobicContact CE1-CD2 4.12Å; Y102-L109 HydrophobicContact CE1-CG 4.09Å; Y102-L109 HydrophobicContact CG-CD1 3.9Å; Y102-L109 HydrophobicContact CG-CG 4.04Å; L109-C111 WeakPolarHBondContact CB-O 3.46Å; L109-C111 PolarHBondContact O-N 2.87Å; L109-L113 HydrophobicContact CD1-CD1 4.49Å; L109-L113 HydrophobicContact CD1-CD2 3.75Å; L109-L113 HydrophobicContact CD1-CG 4.09Å
110	V	83.5	Confident	82.7	Confident	52 Å²	52	63.1 Å²	63.1	32%	0.315	38%	0.377	S	S	.	.	S	Bend	trans	-60.7	-30	179.1	72.6	0	0	0	0	112.9	Y62 H67 Y69	Y62-V110 HydrophobicContact CD1-CB 4.35Å; Y62-V110 HydrophobicContact CD1-CG1 4.14Å; Y62-V110 HydrophobicContact CD1-CG2 3.4Å; Y62-V110 HydrophobicContact CE1-CG2 3.8Å; Y62-V110 HydrophobicContact CG-CG1 4.04Å; Y62-V110 HydrophobicContact CG-CG2 4.14Å; H67-V110 HydrophobicContact CB-CG1 4.13Å; Y69-V110 WeakPolarHBondContact OH-CB 3.49Å; Y69-V110 PolarHBondContact OH-N 3.33Å
111	C	87.1	Confident	80.5	Confident	24 Å²	24	71.7 Å²	71.7	16%	0.162	40%	0.395	C	S	.	.	S	Bend	trans	-149.9	166.3	167.3	67.7	0	0	0	0	109.8	Y62 L109	Y62-C111 HydrophobicContact CD2-CB 3.5Å; Y62-C111 VanDerWaalsContact CD2-CB 3.5Å; Y62-C111 HydrophobicContact CE2-CB 3.84Å; Y62-C111 HydrophobicContact CG-CB 4.16Å; L109-C111 WeakPolarHBondContact CB-O 3.46Å; L109-C111 PolarHBondContact O-N 2.87Å
112	A	89.1	Confident	78	Confident	17 Å²	17	78.2 Å²	78.2	14%	0.14	43%	0.425	C	S	.	.			trans	-63.9	154.7	170.3	0	0	0	0	0	111.5	L114	A112-L114 HydrophobicContact CB-CD2 3.97Å; A112-L114 HydrophobicContact CB-CG 4.39Å; A112-L114 PolarHBondContact O-N 2.83Å
113	L	92.5	Very high	75.6	Confident	6 Å²	6	82.9 Å²	82.9	3%	0.031	46%	0.457	C	S	.	.			trans	-78.8	111.1	170	-53	-178.5	0	0	0	109.3	F44 L58 V60 I99 Y102 A103 L109	F44-L113 HydrophobicContact CB-CD2 3.78Å; F44-L113 HydrophobicContact CD1-CB 3.7Å; F44-L113 HydrophobicContact CD1-CD2 4.37Å; F44-L113 HydrophobicContact CD2-CB 4.36Å; F44-L113 HydrophobicContact CD2-CD1 4.15Å; F44-L113 HydrophobicContact CD2-CD2 4.25Å; F44-L113 HydrophobicContact CD2-CG 4.49Å; F44-L113 HydrophobicContact CE1-CB 3.8Å; F44-L113 HydrophobicContact CE2-CB 4.45Å; F44-L113 HydrophobicContact CE2-CD1 4.26Å; F44-L113 HydrophobicContact CG-CB 4Å; F44-L113 HydrophobicContact CG-CD1 4.48Å; F44-L113 HydrophobicContact CG-CD2 3.88Å; F44-L113 HydrophobicContact CG-CG 4.33Å; F44-L113 HydrophobicContact CZ-CB 4.18Å; L58-L113 HydrophobicContact CD1-CD1 4.18Å; L58-L113 HydrophobicContact CD1-CD2 4.03Å; L58-L113 HydrophobicContact CD2-CD1 4.08Å; L58-L113 HydrophobicContact CD2-CD2 4.34Å; V60-L113 HydrophobicContact CB-CD2 4.44Å; V60-L113 HydrophobicContact CG1-CD2 4.06Å; V60-L113 HydrophobicContact CG2-CD2 3.47Å; V60-L113 VanDerWaalsContact CG2-CD2 3.47Å; I99-L113 HydrophobicContact CB-CD1 4.39Å; I99-L113 HydrophobicContact CD1-CD1 3.53Å; I99-L113 HydrophobicContact CG2-CD1 4.01Å; Y102-L113 PolarHBondContact O-N 2.82Å; A103-L113 WeakPolarHBondContact CA-O 3.3Å; A103-L113 HydrophobicContact CB-CB 4.4Å; L109-L113 HydrophobicContact CD1-CD1 4.49Å; L109-L113 HydrophobicContact CD1-CD2 3.75Å; L109-L113 HydrophobicContact CD1-CG 4.09Å
114	L	88.1	Confident	72.9	Confident	111 Å²	111	88.4 Å²	88.4	58%	0.581	48%	0.48	S	S	*	.			trans	-114.3	-36.2	-170.5	-61	-179.7	0	0	0	114.2	G42 A112	G42-L114 PolarHBondContact O-N 3.18Å; A112-L114 HydrophobicContact CB-CD2 3.97Å; A112-L114 HydrophobicContact CB-CG 4.39Å; A112-L114 PolarHBondContact O-N 2.83Å
115	L	89.9	Confident	70.7	Confident	65 Å²	65	88.7 Å²	88.7	34%	0.34	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	105.4	-170.2	-67.4	169.7	0	0	0	110.6	R40 G42 S43 F44	R40-L115 HydrophobicContact CB-CD1 3.83Å; R40-L115 HydrophobicContact CG-CD1 4.38Å; G42-L115 PolarHBondContact O-N 3.35Å; S43-L115 CarbonylContact C-O 3.53Å; S43-L115 VanDerWaalsContact CA-O 3.25Å; S43-L115 WeakPolarHBondContact CA-O 3.49Å; F44-L115 WeakPolarHBondContact CD1-O 3.49Å; F44-L115 PolarHBondContact N-O 2.87Å
116	P	90.5	Very high	69.1	Low	63 Å²	63	90.5 Å²	90.5	41%	0.409	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.6	173.8	29.7	-35.1	0	0	0	109.9	W21 F44	W21-P116 HydrophobicContact CB-CB 3.76Å; W21-P116 HydrophobicContact CG-CB 4.43Å; F44-P116 HydrophobicContact CE1-CB 4.16Å; F44-P116 HydrophobicContact CZ-CB 4.1Å
117	V	89.2	Confident	67.1	Low	17 Å²	17	90 Å²	90	10%	0.103	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-100.7	125.8	174.5	-180	0	0	0	0	109.7	S20 H23 L34 L35 A38 F44	S20-V117 VanDerWaalsContact O-O 3.12Å; H23-V117 PolarHBondContact CE1-O 2.79Å; H23-V117 PolarHBondContact NE2-O 2.92Å; L34-V117 HydrophobicContact CB-CG1 4.2Å; L35-V117 HydrophobicContact CD2-CG2 3.93Å; A38-V117 HydrophobicContact CB-CG2 3.83Å; F44-V117 PolarHBondContact O-N 3.07Å
118	E	82.7	Confident	65.2	Low	130 Å²	130	95.4 Å²	95.4	61%	0.607	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-89.9	159.4	-179.9	-47.9	-158.3	139.6	0	0	111.8	S20	S20-E118 WeakPolarHBondContact CB-OE1 3.43Å; S20-E118 PolarHBondContact OG-OE1 3.37Å
119	G	66.4	Low	63.3	Low	37 Å²	37	103.4 Å²	103.4	38%	0.381	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-101.4	142.2	-173.8	0	0	0	0	0	112.5	H23 R121	H23-G119 PolarHBondContact CE1-N 2.58Å; H23-G119 VanDerWaalsContact CE1-N 3.29Å; G119-R121 PolarHBondContact O-N 3.14Å
120	E	54.8	Low	60.9	Low	152 Å²	152	110 Å²	110	71%	0.71	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-65.6	126.9	175.2	-66.8	176.3	-175.4	0	0	109.8	R37	R37-E120 IonicContact CZ-OE1 3.2Å; R37-E120 IonicContact NH1-OE1 3.73Å; R37-E120 PolarHBondContact NH1-OE1 2.74Å; R37-E120 IonicContact NH1-OE2 2.67Å
121	R	40.7	Very low	58.3	Low	225 Å²	225	112.1 Å²	112.1	85%	0.849	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-92.8	130.8	172	-72.5	-173.2	-179.7	177.2	1.9	109.8	G119	G119-R121 PolarHBondContact O-N 3.14Å
122	E	34.9	Very low	55.6	Low	180 Å²	180	116.2 Å²	116.2	84%	0.841	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-55.2	140.9	164.6	-71.9	-86.1	116.9	0	0	110.7
123	P	36.8	Very low	53	Low	112 Å²	112	123.1 Å²	123.1	73%	0.727	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-81.7	138.2	167.2	32.9	-31.7	0	0	0	111.1
124	D	31.5	Very low	50	Low	159 Å²	159	126.7 Å²	126.7	85%	0.85	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-61.2	142.8	179.5	-65.7	-65.9	0	0	0	112.9
125	P	37	Very low	47.4	Very low	117 Å²	117	130.9 Å²	130.9	76%	0.76	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-75.7	144.2	178.1	31.3	-35.2	0	0	0	112.4
126	P	43	Very low	44.8	Very low	128 Å²	128	135 Å²	135	83%	0.831	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-80.1	142.6	176.3	32.3	-34.3	0	0	0	113
127	D	33.6	Very low	41.8	Very low	154 Å²	154	139.6 Å²	139.6	82%	0.824	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-76.6	138.2	173	-106.5	-26.9	0	0	0	112.2
128	D	41.2	Very low	39.2	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-75.5	122.1	171.2	-83.3	-47	0	0	0	112.1
129	R	34.2	Very low	37	Very low	235 Å²	235	146.7 Å²	146.7	89%	0.887	79%	0.794	S	S	*	*			trans	-146.2	150.5	157.5	-67.6	-162.7	-174.3	-159.9	1.3	113.5
130	D	31.5	Very low	35.7	Very low	163 Å²	163	150.7 Å²	150.7	87%	0.872	81%	0.813	S	S	*	*			trans	-74.4	152.2	-166	-77.9	-68.1	0	0	0	118
131	A	29.6	Very low	34.5	Very low	96 Å²	96	151.4 Å²	151.4	79%	0.793	82%	0.821	S	S	*	*			trans	53.5	120.4	141.2	0	0	0	0	0	121.6
132	S	30.3	Very low	34.2	Very low	109 Å²	109	146.2 Å²	146.2	76%	0.762	82%	0.816	S	S	*	*				172	149.9	100.9	-165.1	0	0	0	0	112.8
133	D	34.8	Very low	34.3	Very low	162 Å²	162	143.1 Å²	143.1	87%	0.866	81%	0.812	S	S	*	*			trans	-7.2	137.1	169.9	-56.8	-21.9	0	0	0	121.7
134	G	29.3	Very low	33.9	Very low	81 Å²	81	149.8 Å²	149.8	84%	0.835	82%	0.822	S	S	*	*			trans	169.9	113.3	160.4	0	0	0	0	0	114.5
135	E	33.8	Very low	33.8	Very low	199 Å²	199	148.2 Å²	148.2	93%	0.93	82%	0.824	S	S	*	*			trans	-75.8	146.3	163	-59.1	175.1	123.9	0	0	108.4
136	D	34.9	Very low	33.4	Very low	151 Å²	151	146.1 Å²	146.1	81%	0.807	82%	0.823	S	S	*	*				176.8	178	72.4	-161.7	-0.9	0	0	0	110.9
137	E	28.5	Very low	32.7	Very low	161 Å²	161	145.9 Å²	145.9	75%	0.752	83%	0.825	S	S	*	*			trans	67.9	141	159	-87.4	-79.2	63.5	0	0	121.9
138	K	33.1	Very low	32.3	Very low	189 Å²	189	145.6 Å²	145.6	82%	0.822	83%	0.829	S	S	*	*			trans	-155.1	114.5	-178.4	178.7	-166.4	173.5	178.9	0	114.9
139	P	36.7	Very low	31.7	Very low	107 Å²	107	143.2 Å²	143.2	70%	0.695	83%	0.825	S	S	*	*			trans	-137	173	156.9	40.3	-26.5	0	0	0	113.8
140	P	39.3	Very low	31.4	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	82%	0.824	S	S	*	*				-133	179.4	-52.3	39.1	-24.3	0	0	0	112.7
141	L	30.5	Very low	31.1	Very low	167 Å²	167	138 Å²	138	87%	0.874	82%	0.822	S	S	*	*			trans	-108.9	145.1	171.5	-74.4	168.9	0	0	0	112
142	P	35	Very low	31	Very low	116 Å²	116	137.8 Å²	137.8	75%	0.753	82%	0.821	S	S	*	*			trans	-78.5	160.1	167.8	32.9	-33.4	0	0	0	112.4
143	P	36.2	Very low	30.8	Very low	115 Å²	115	138.9 Å²	138.9	75%	0.747	82%	0.823	S	S	*	*			trans	-102	154.8	-144	36.9	-36.9	0	0	0	117.2
144	R	28.6	Very low	30.5	Very low	253 Å²	253	137.4 Å²	137.4	96%	0.955	82%	0.82	S	S	*	*			trans	-111.2	126.8	147.6	-79.4	-178.3	169.8	171.3	-2.4	108.5
145	S	29.8	Very low	30.2	Very low	125 Å²	125	136.8 Å²	136.8	87%	0.874	81%	0.814	S	S	*	*			trans	-93.7	120	178.2	-59.8	0	0	0	0	111.5
146	G	26.8	Very low	30.8	Very low	73 Å²	73	133.6 Å²	133.6	75%	0.753	81%	0.81	S	S	*	*			trans	-108.9	148.8	164.8	0	0	0	0	0	110.5
147	S	28.7	Very low	30.4	Very low	124 Å²	124	131.6 Å²	131.6	87%	0.867	81%	0.808	S	S	*	*			trans	-72.1	150.2	-169.9	-46.7	0	0	0	0	114.8
148	T	25.8	Very low	30.4	Very low	147 Å²	147	129 Å²	129	90%	0.902	81%	0.808	S	S	*	*			trans	-133.6	156.8	150.9	28.1	0	0	0	0	110.4
149	S	27.7	Very low	31	Very low	115 Å²	115	124.9 Å²	124.9	80%	0.804	80%	0.8	S	S	*	*			trans	-107.8	147.8	-162.7	47.8	0	0	0	0	113.6
150	I	28.1	Very low	30.6	Very low	169 Å²	169	127.5 Å²	127.5	87%	0.867	81%	0.808	S	S	*	*			trans	-134.8	140.8	161.2	-58.8	-176.8	0	0	0	110.5
151	S	26.5	Very low	30	Very low	119 Å²	119	127 Å²	127	83%	0.832	81%	0.807	S	S	*	*			trans	-37.8	159.9	-178.5	-47.3	0	0	0	0	119.9
152	A	27.8	Very low	30.1	Very low	92 Å²	92	125.1 Å²	125.1	76%	0.76	80%	0.802	S	S	*	*			trans	-94.1	158.1	174.3	0	0	0	0	0	113.7
153	T	25.3	Very low	30.2	Very low	131 Å²	131	125 Å²	125	80%	0.804	80%	0.802	S	S	*	*			trans	-164.6	153.8	142.3	13.5	0	0	0	0	113
154	T	28.9	Very low	29.8	Very low	132 Å²	132	127.3 Å²	127.3	81%	0.81	80%	0.802	S	S	*	*			trans	54.6	115.4	154.4	51.4	0	0	0	0	121.6
155	G	22.6	Very low	29.6	Very low	68 Å²	68	121.3 Å²	121.3	70%	0.701	79%	0.794	S	S	*	*			trans	-84	-158.8	137.8	0	0	0	0	0	110.6
156	P	45.4	Very low	30.2	Very low	131 Å²	131	120.4 Å²	120.4	85%	0.851	79%	0.785	S	S	*	*			cis	-105.3	-154.7	7.9	42.3	-31.7	0	0	0	111.3
157	S	27.4	Very low	30.1	Very low	109 Å²	109	124 Å²	124	76%	0.762	79%	0.792	S	S	*	*			cis	-158.8	159.9	11.3	53.1	0	0	0	0	114.1
158	S	28.5	Very low	30	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	79%	0.789	S	S	*	*			trans	-70.8	-172	158.1	-39.9	0	0	0	0	110.9
159	P	45.4	Very low	31	Very low	103 Å²	103	123.2 Å²	123.2	67%	0.669	79%	0.785	S	S	*	*			cis	-148.7	-179.5	13.3	46.4	-26.8	0	0	0	119.1
160	L	27.3	Very low	30.9	Very low	162 Å²	162	122.7 Å²	122.7	85%	0.848	79%	0.787	S	S	*	*			trans	65.2	157.6	153.3	-71.1	158.3	0	0	0	118.2
161	S	27.2	Very low	31.3	Very low	109 Å²	109	119.5 Å²	119.5	76%	0.762	79%	0.786	S	S	*	*			cis	-156	165.3	-3.5	31.1	0	0	0	0	113.4
162	V	33.1	Very low	31.4	Very low	127 Å²	127	123.3 Å²	123.3	77%	0.77	79%	0.791	S	S	*	*			trans	-74.7	152.7	177.5	-176.8	0	0	0	0	109.7
163	P	37.7	Very low	31.7	Very low	115 Å²	115	124.8 Å²	124.8	75%	0.747	80%	0.795	S	S	*	*				-156.3	155.2	57.4	43.5	-20.4	0	0	0	123.6
164	E	27.5	Very low	32	Very low	163 Å²	163	122.9 Å²	122.9	76%	0.762	79%	0.793	S	S	*	*			trans	35.5	128.1	133.9	-60.8	-168.1	129.3	0	0	126.1
165	T	23.9	Very low	32.8	Very low	126 Å²	126	122.1 Å²	122.1	77%	0.773	79%	0.791	S	S	*	*			trans	73.9	165.9	137	63.6	0	0	0	0	121
166	P	42.8	Very low	34	Very low	107 Å²	107	125 Å²	125	70%	0.695	79%	0.79	S	S	*	*			cis	-134.5	157	-44.9	35	-20.5	0	0	0	113.9
167	T	24.9	Very low	34.4	Very low	147 Å²	147	120.6 Å²	120.6	90%	0.902	77%	0.768	S	S	*	*			trans	-162.3	147.4	156.9	-0	0	0	0	0	114
168	T	26.3	Very low	35.6	Very low	131 Å²	131	119.8 Å²	119.8	80%	0.804	76%	0.755	S	S	*	*			trans	-146.8	160.6	170.7	50.2	0	0	0	0	108.3
169	P	47	Very low	36.9	Very low	124 Å²	124	118.8 Å²	118.8	81%	0.805	75%	0.748	S	S	*	*			cis	-126.2	172.6	-15.9	38.3	-23.9	0	0	0	112.9
170	A	26.1	Very low	37.7	Very low	104 Å²	104	117.6 Å²	117.6	86%	0.86	74%	0.739	S	S	*	*			trans	-141.3	147.1	154.3	0	0	0	0	0	108.7
171	A	34.7	Very low	39.5	Very low	103 Å²	103	110.4 Å²	110.4	85%	0.851	70%	0.702	S	S	*	*			trans	-111.5	123.2	-177.5	0	0	0	0	0	110.7
172	E	29.4	Very low	41.3	Very low	199 Å²	199	108.3 Å²	108.3	93%	0.93	69%	0.687	S	S	*	*			trans	-127.1	136.9	164.9	-71	-163.1	145.1	0	0	110.4
173	S	34.2	Very low	43	Very low	122 Å²	122	107.9 Å²	107.9	85%	0.853	68%	0.676	S	S	*	*			trans	-94.8	115.6	-177.9	54.3	0	0	0	0	111.1
174	A	32.2	Very low	44.5	Very low	91 Å²	91	108.7 Å²	108.7	75%	0.752	67%	0.67	S	S	*	*			trans	-122.4	121	173.2	0	0	0	0	0	110.9
175	P	45.4	Very low	47	Very low	117 Å²	117	102 Å²	102	76%	0.76	64%	0.638	S	S	*	*	S	Bend	trans	-73	155.7	173.5	30.2	-33.3	0	0	0	111.7
176	N	47.8	Very low	49.5	Very low	129 Å²	129	101.5 Å²	101.5	69%	0.69	63%	0.63	S	S	*	*			trans	85.1	53.4	-179.9	-54.1	-28.7	0	0	0	118	L178 S179	N176-L178 VanDerWaalsContact C-N 3.28Å; N176-L178 PolarHBondContact O-N 3.1Å; N176-L178 VanDerWaalsContact O-N 3.09Å; N176-S179 PolarHBondContact O-N 2.81Å
177	G	52.8	Low	51	Low	38 Å²	38	104.7 Å²	104.7	39%	0.392	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.9	4.2	-179.4	0	0	0	0	0	119.1
178	L	53.5	Low	53.1	Low	92 Å²	92	99.9 Å²	99.9	48%	0.482	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.8	-31.2	174	-84.1	166.5	0	0	0	113.1	N176 S182	N176-L178 VanDerWaalsContact C-N 3.28Å; N176-L178 PolarHBondContact O-N 3.1Å; N176-L178 VanDerWaalsContact O-N 3.09Å; L178-S182 PolarHBondContact O-N 3.45Å; L178-S182 PolarHBondContact O-OG 2.91Å
179	S	55	Low	55.5	Low	85 Å²	85	95.2 Å²	95.2	59%	0.594	59%	0.585	S	S	*	*	H	α-helix	trans	-67.1	-44.5	176.2	-178.3	0	0	0	0	110.6	N176 V181 S182 H183	N176-S179 PolarHBondContact O-N 2.81Å; S179-V181 PolarHBondContact O-N 2.83Å; S179-S182 PolarHBondContact O-N 3.03Å; S179-H183 WeakPolarHBondContact O-CB 3.38Å; S179-H183 PolarHBondContact O-N 3.3Å
180	T	63.1	Low	57	Low	78 Å²	78	94.6 Å²	94.6	48%	0.479	57%	0.567	S	S	.	*	H	α-helix	trans	-58.9	-49.2	179.4	46.7	0	0	0	0	113	S182 H183 E184	T180-S182 VanDerWaalsContact C-N 3.29Å; T180-S182 PolarHBondContact O-N 3.35Å; T180-H183 CarbonylContact O-C 3.6Å; T180-H183 WeakPolarHBondContact O-CB 3.39Å; T180-H183 PolarHBondContact O-N 3.43Å; T180-H183 VanDerWaalsContact O-N 3.12Å; T180-E184 WeakPolarHBondContact O-CG 3.49Å; T180-E184 PolarHBondContact O-N 3.19Å
181	V	64.9	Low	59.6	Low	12 Å²	12	91.3 Å²	91.3	7%	0.073	54%	0.544	C	S	.	.	H	α-helix	trans	-64.2	-34.6	-179.9	178.6	0	0	0	0	112	S179 Y185 T210 S214	S179-V181 PolarHBondContact O-N 2.83Å; V181-Y185 PolarHBondContact O-N 3.17Å; V181-T210 HydrophobicContact CG1-CG2 3.61Å; V181-S214 VanDerWaalsContact CG1-OG 3.29Å; V181-S214 WeakPolarHBondContact CG1-OG 3.33Å
182	S	65.1	Low	61.8	Low	64 Å²	64	90.8 Å²	90.8	45%	0.448	53%	0.526	S	S	.	.	H	α-helix	trans	-68	-40.4	174.2	-53.5	0	0	0	0	111.6	L178 S179 T180 Y185 L186	L178-S182 PolarHBondContact O-N 3.45Å; L178-S182 PolarHBondContact O-OG 2.91Å; S179-S182 PolarHBondContact O-N 3.03Å; T180-S182 VanDerWaalsContact C-N 3.29Å; T180-S182 PolarHBondContact O-N 3.35Å; S182-Y185 PolarHBondContact O-N 2.92Å; S182-L186 WeakPolarHBondContact O-CG 3.28Å; S182-L186 PolarHBondContact O-N 3.01Å
183	H	68.9	Low	64.5	Low	118 Å²	118	81.4 Å²	81.4	55%	0.546	48%	0.482	S	S	.	.	H	α-helix	trans	-69.7	-36	177.4	-174.6	-94	0	0	0	112.8	S179 T180 L186 K187	S179-H183 WeakPolarHBondContact O-CB 3.38Å; S179-H183 PolarHBondContact O-N 3.3Å; T180-H183 CarbonylContact O-C 3.6Å; T180-H183 WeakPolarHBondContact O-CB 3.39Å; T180-H183 PolarHBondContact O-N 3.43Å; T180-H183 VanDerWaalsContact O-N 3.12Å; H183-L186 PolarHBondContact O-N 2.79Å; H183-K187 VanDerWaalsContact O-CB 3.24Å; H183-K187 WeakPolarHBondContact O-CB 3.32Å; H183-K187 PolarHBondContact O-N 2.68Å
184	E	69.1	Low	66.6	Low	133 Å²	133	78.8 Å²	78.8	62%	0.621	46%	0.459	S	S	*	.	H	α-helix	trans	-61.9	-41.2	172.7	-75.6	-177.5	143.7	0	0	112.4	T180 G188	T180-E184 WeakPolarHBondContact O-CG 3.49Å; T180-E184 PolarHBondContact O-N 3.19Å; E184-G188 PolarHBondContact O-N 3.24Å
185	Y	79.4	Confident	68.8	Low	23 Å²	23	81.1 Å²	81.1	9%	0.09	45%	0.454	C	S	.	.	I	π-helix	trans	-61.7	-51.1	174.3	172.1	-96.4	0	0	0	111.2	V181 S182 K187 G188 S189 Y190 H206 L207	V181-Y185 PolarHBondContact O-N 3.17Å; S182-Y185 PolarHBondContact O-N 2.92Å; Y185-K187 VanDerWaalsContact C-N 3.31Å; Y185-K187 PolarHBondContact O-N 2.67Å; Y185-G188 PolarHBondContact O-N 2.91Å; Y185-S189 VanDerWaalsContact CD2-CB 3.47Å; Y185-S189 PolarHBondContact O-N 3.09Å; Y185-Y190 HydrophobicContact CE1-CD2 4.06Å; Y185-Y190 HydrophobicContact CE1-CG 4.45Å; Y185-Y190 WeakPolarHBondContact O-CB 3.32Å; Y185-Y190 PolarHBondContact O-N 3.31Å; Y185-H206 HydrophobicContact CE2-CB 4.46Å; Y185-L207 HydrophobicContact CD1-CD1 4.13Å; Y185-L207 HydrophobicContact CD2-CB 4.34Å; Y185-L207 HydrophobicContact CD2-CD1 4.29Å; Y185-L207 HydrophobicContact CE1-CD1 3.9Å; Y185-L207 HydrophobicContact CE2-CB 3.61Å; Y185-L207 HydrophobicContact CE2-CD1 4.08Å; Y185-L207 HydrophobicContact CE2-CG 4.41Å; Y185-L207 HydrophobicContact CG-CD1 4.33Å
186	L	75.9	Confident	70.2	Confident	114 Å²	114	77.2 Å²	77.2	60%	0.597	43%	0.431	S	S	*	.	I	π-helix	trans	-63	-34.1	-178.8	-68.7	171.9	0	0	0	113.1	S182 H183	S182-L186 WeakPolarHBondContact O-CG 3.28Å; S182-L186 PolarHBondContact O-N 3.01Å; H183-L186 PolarHBondContact O-N 2.79Å
187	K	75	Confident	71.4	Confident	174 Å²	174	74.4 Å²	74.4	76%	0.757	42%	0.419	S	S	*	.	I	π-helix	trans	-81.4	-23.1	-177.3	-169.9	173.9	179.1	-176.2	0	114.3	H183 Y185	H183-K187 VanDerWaalsContact O-CB 3.24Å; H183-K187 WeakPolarHBondContact O-CB 3.32Å; H183-K187 PolarHBondContact O-N 2.68Å; Y185-K187 VanDerWaalsContact C-N 3.31Å; Y185-K187 PolarHBondContact O-N 2.67Å
188	G	68.8	Low	72.5	Confident	47 Å²	47	82.6 Å²	82.6	49%	0.485	44%	0.438	S	S	.	.	I	π-helix	trans	-138.3	-50.6	-175.4	0	0	0	0	0	115.7	E184 Y185	E184-G188 PolarHBondContact O-N 3.24Å; Y185-G188 PolarHBondContact O-N 2.91Å
189	S	76.4	Confident	73.1	Confident	32 Å²	32	81.7 Å²	81.7	22%	0.224	45%	0.45	C	S	.	.	I	π-helix	trans	-76.8	-26.9	-173.2	-69.5	0	0	0	0	114.3	Y185 G191 L192 D193	Y185-S189 VanDerWaalsContact CD2-CB 3.47Å; Y185-S189 PolarHBondContact O-N 3.09Å; S189-G191 VanDerWaalsContact C-N 3.3Å; S189-G191 PolarHBondContact O-N 3.36Å; S189-L192 PolarHBondContact O-N 3.3Å; S189-D193 PolarHBondContact O-N 3.45Å
190	Y	79.4	Confident	73.2	Confident	111 Å²	111	80.8 Å²	80.8	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-58.4	-38.8	-178.7	170.1	-109.8	0	0	0	113	Y185 L192 L194	Y185-Y190 HydrophobicContact CE1-CD2 4.06Å; Y185-Y190 HydrophobicContact CE1-CG 4.45Å; Y185-Y190 WeakPolarHBondContact O-CB 3.32Å; Y185-Y190 PolarHBondContact O-N 3.31Å; Y190-L192 PolarHBondContact O-N 3.37Å; Y190-L194 HydrophobicContact CE1-CD2 4.19Å; Y190-L194 VanDerWaalsContact O-CB 3.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.49Å; Y190-L194 PolarHBondContact O-N 3.32Å
191	G	80.3	Confident	73.4	Confident	35 Å²	35	78.7 Å²	78.7	36%	0.361	45%	0.445	S	S	.	.	H	α-helix	trans	-62.9	-41.8	177.8	0	0	0	0	0	112.8	S189 L194 E195	S189-G191 VanDerWaalsContact C-N 3.3Å; S189-G191 PolarHBondContact O-N 3.36Å; G191-L194 PolarHBondContact O-N 3.33Å; G191-E195 PolarHBondContact O-N 3.06Å
192	L	80.8	Confident	73.3	Confident	92 Å²	92	84.1 Å²	84.1	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-66	-42.6	-179.4	-57.4	175.7	0	0	0	112	S189 Y190 A196	S189-L192 PolarHBondContact O-N 3.3Å; Y190-L192 PolarHBondContact O-N 3.37Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 3.04Å
193	D	86.1	Confident	73.5	Confident	2 Å²	2	86.8 Å²	86.8	1%	0.011	49%	0.489	C	S	.	.	H	α-helix	trans	-70.8	-32.4	175.9	-83.6	-1.2	0	0	0	111.9	S189 A196 V197 L204 P205 H206 L207	S189-D193 PolarHBondContact O-N 3.45Å; D193-A196 PolarHBondContact O-N 2.63Å; D193-V197 WeakPolarHBondContact O-CG2 3.21Å; D193-V197 PolarHBondContact O-N 2.82Å; D193-L204 HydrophobicContact CB-CB 4.47Å; D193-L204 HydrophobicContact CB-CD2 4.16Å; D193-L204 VanDerWaalsContact OD2-C 3.24Å; D193-P205 WeakPolarHBondContact OD1-CD 3.43Å; D193-H206 IonicContact OD1-CE1 3.87Å; D193-H206 IonicContact OD1-CG 3.47Å; D193-H206 PolarHBondContact OD1-N 2.87Å; D193-H206 VanDerWaalsContact OD1-N 3.11Å; D193-H206 IonicContact OD1-ND1 2.73Å; D193-H206 PolarHBondContact OD1-ND1 3.46Å; D193-H206 WeakPolarHBondContact OD2-CA 3.4Å; D193-H206 WeakPolarHBondContact OD2-CB 3.35Å; D193-H206 PolarHBondContact OD2-N 3.3Å; D193-L207 PolarHBondContact OD2-N 3.34Å
194	L	78.7	Confident	74.1	Confident	68 Å²	68	84.1 Å²	84.1	36%	0.356	48%	0.478	S	S	.	.	H	α-helix	trans	-68.5	-39.4	174.6	-176.8	64.3	0	0	0	112.5	Y190 G191 R198	Y190-L194 HydrophobicContact CE1-CD2 4.19Å; Y190-L194 VanDerWaalsContact O-CB 3.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.49Å; Y190-L194 PolarHBondContact O-N 3.32Å; G191-L194 PolarHBondContact O-N 3.33Å; L194-R198 WeakPolarHBondContact O-CG 3.27Å; L194-R198 PolarHBondContact O-N 3.39Å; L194-R198 VanDerWaalsContact O-N 3.09Å
195	E	78.6	Confident	74.3	Confident	140 Å²	140	80 Å²	80	65%	0.654	46%	0.463	S	S	*	.	H	α-helix	trans	-67.6	-39.5	172.4	-73.8	-172.2	163.2	0	0	111.8	G191 V197 R198 G199	G191-E195 PolarHBondContact O-N 3.06Å; E195-V197 PolarHBondContact O-N 3.29Å; E195-R198 PolarHBondContact O-N 3.02Å; E195-G199 PolarHBondContact O-N 3.47Å
196	A	74.1	Confident	74.2	Confident	34 Å²	34	81 Å²	81	28%	0.281	47%	0.469	S	S	.	.	H	α-helix	trans	-58.9	-44.1	174.5	0	0	0	0	0	112.1	L192 D193 G199 G200 A201	L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 3.04Å; D193-A196 PolarHBondContact O-N 2.63Å; A196-G199 CarbonylContact O-C 3.45Å; A196-G199 WeakPolarHBondContact O-CA 3.09Å; A196-G199 PolarHBondContact O-N 3.37Å; A196-G199 VanDerWaalsContact O-N 3.14Å; A196-G200 PolarHBondContact O-N 3.01Å; A196-A201 HydrophobicContact CB-CB 4.03Å; A196-A201 WeakPolarHBondContact O-CB 3.23Å; A196-A201 PolarHBondContact O-N 3.42Å
197	V	74.3	Confident	74.3	Confident	71 Å²	71	77.9 Å²	77.9	43%	0.43	45%	0.452	S	S	.	.	H	α-helix	trans	-64.9	-39.4	174.9	172.2	0	0	0	0	111.9	D193 E195 G199 G200 L204	D193-V197 WeakPolarHBondContact O-CG2 3.21Å; D193-V197 PolarHBondContact O-N 2.82Å; E195-V197 PolarHBondContact O-N 3.29Å; V197-G199 PolarHBondContact O-N 2.87Å; V197-G200 WeakPolarHBondContact O-CA 3.02Å; V197-G200 PolarHBondContact O-N 2.72Å; V197-L204 HydrophobicContact CG2-CD2 3.38Å
198	R	74.7	Confident	74.4	Confident	210 Å²	210	73.1 Å²	73.1	79%	0.792	44%	0.438	S	S	*	.	H	α-helix	trans	-63.3	-28.9	172.6	-74.8	175.8	176.1	-107.2	1.6	112.6	L194 E195 G200	L194-R198 WeakPolarHBondContact O-CG 3.27Å; L194-R198 PolarHBondContact O-N 3.39Å; L194-R198 VanDerWaalsContact O-N 3.09Å; E195-R198 PolarHBondContact O-N 3.02Å; R198-G200 VanDerWaalsContact C-N 3.25Å; R198-G200 PolarHBondContact O-N 3.08Å
199	G	66.3	Low	74.7	Confident	72 Å²	72	78 Å²	78	74%	0.742	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	2.6	169	0	0	0	0	0	115.1	E195 A196 V197	E195-G199 PolarHBondContact O-N 3.47Å; A196-G199 CarbonylContact O-C 3.45Å; A196-G199 WeakPolarHBondContact O-CA 3.09Å; A196-G199 PolarHBondContact O-N 3.37Å; A196-G199 VanDerWaalsContact O-N 3.14Å; V197-G199 PolarHBondContact O-N 2.87Å
200	G	57.8	Low	74.8	Confident	67 Å²	67	77.7 Å²	77.7	69%	0.691	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	11.5	178.6	0	0	0	0	0	115.6	A196 V197 R198	A196-G200 PolarHBondContact O-N 3.01Å; V197-G200 WeakPolarHBondContact O-CA 3.02Å; V197-G200 PolarHBondContact O-N 2.72Å; R198-G200 VanDerWaalsContact C-N 3.25Å; R198-G200 PolarHBondContact O-N 3.08Å
201	A	66.2	Low	74.3	Confident	33 Å²	33	76.6 Å²	76.6	27%	0.273	44%	0.44	S	S	.	.			trans	-68.8	132.2	176.3	0	0	0	0	0	111.8	A196 H203	A196-A201 HydrophobicContact CB-CB 4.03Å; A196-A201 WeakPolarHBondContact O-CB 3.23Å; A196-A201 PolarHBondContact O-N 3.42Å; A201-H203 VanDerWaalsContact C-N 3.32Å; A201-H203 PolarHBondContact O-N 2.85Å
202	S	63.9	Low	73.8	Confident	126 Å²	126	75.9 Å²	75.9	88%	0.881	43%	0.431	S	S	*	.	S	Bend	trans	-88.4	9.1	180	56	0	0	0	0	114.4
203	H	69.8	Low	73.2	Confident	120 Å²	120	73.8 Å²	73.8	56%	0.556	42%	0.421	S	S	*	.			trans	-143.5	152.5	-176	58.4	38.6	0	0	0	112.1	A201 P205	A201-H203 VanDerWaalsContact C-N 3.32Å; A201-H203 PolarHBondContact O-N 2.85Å; H203-P205 WeakPolarHBondContact O-CD 3.33Å
204	L	80.7	Confident	72.5	Confident	63 Å²	63	74.3 Å²	74.3	33%	0.33	43%	0.426	S	S	.	.			trans	-111.4	77.9	-177	-55.1	-179.8	0	0	0	110.3	D193 V197 H206 L207 T208	D193-L204 HydrophobicContact CB-CB 4.47Å; D193-L204 HydrophobicContact CB-CD2 4.16Å; D193-L204 VanDerWaalsContact OD2-C 3.24Å; V197-L204 HydrophobicContact CG2-CD2 3.38Å; L204-H206 VanDerWaalsContact C-N 3.29Å; L204-H206 PolarHBondContact O-N 2.9Å; L204-L207 HydrophobicContact CB-CB 3.87Å; L204-L207 HydrophobicContact CB-CD2 4.4Å; L204-L207 HydrophobicContact CD1-CD2 3.75Å; L204-L207 PolarHBondContact O-N 3.03Å; L204-T208 PolarHBondContact O-N 3.42Å; L204-T208 PolarHBondContact O-OG1 3.41Å; L204-T208 VanDerWaalsContact O-OG1 3.14Å
205	P	72.6	Confident	71.7	Confident	47 Å²	47	73.6 Å²	73.6	31%	0.305	43%	0.426	S	S	.	.	H	α-helix	trans	-64.9	-28.3	-166.4	25.6	-35.9	0	0	0	113.8	D193 H203 R209	D193-P205 WeakPolarHBondContact OD1-CD 3.43Å; H203-P205 WeakPolarHBondContact O-CD 3.33Å; P205-R209 VanDerWaalsContact O-CB 3.31Å; P205-R209 WeakPolarHBondContact O-CB 3.48Å; P205-R209 PolarHBondContact O-N 2.94Å; P205-R209 VanDerWaalsContact O-N 3.16Å
206	H	78.7	Confident	71.1	Confident	44 Å²	44	73.6 Å²	73.6	20%	0.204	42%	0.42	C	S	.	.	H	α-helix	trans	-79.7	-40.8	177.3	-56.6	84.4	0	0	0	111.2	Y185 D193 L204 T208 R209 T210	Y185-H206 HydrophobicContact CE2-CB 4.46Å; D193-H206 IonicContact OD1-CE1 3.87Å; D193-H206 IonicContact OD1-CG 3.47Å; D193-H206 PolarHBondContact OD1-N 2.87Å; D193-H206 VanDerWaalsContact OD1-N 3.11Å; D193-H206 IonicContact OD1-ND1 2.73Å; D193-H206 PolarHBondContact OD1-ND1 3.46Å; D193-H206 WeakPolarHBondContact OD2-CA 3.4Å; D193-H206 WeakPolarHBondContact OD2-CB 3.35Å; D193-H206 PolarHBondContact OD2-N 3.3Å; L204-H206 VanDerWaalsContact C-N 3.29Å; L204-H206 PolarHBondContact O-N 2.9Å; H206-T208 PolarHBondContact O-N 3.36Å; H206-R209 PolarHBondContact CD2-NH1 2.87Å; H206-R209 PolarHBondContact O-N 2.86Å; H206-T210 PolarHBondContact O-N 3.21Å; H206-T210 PolarHBondContact O-OG1 3.02Å; H206-T210 VanDerWaalsContact O-OG1 3.07Å
207	L	77.9	Confident	70.7	Confident	48 Å²	48	79 Å²	79	25%	0.251	43%	0.433	S	S	.	.	H	α-helix	trans	-59.6	-46.5	172.9	-177.4	57.7	0	0	0	111.4	Y185 D193 L204 R209 T210 L211	Y185-L207 HydrophobicContact CD1-CD1 4.13Å; Y185-L207 HydrophobicContact CD2-CB 4.34Å; Y185-L207 HydrophobicContact CD2-CD1 4.29Å; Y185-L207 HydrophobicContact CE1-CD1 3.9Å; Y185-L207 HydrophobicContact CE2-CB 3.61Å; Y185-L207 HydrophobicContact CE2-CD1 4.08Å; Y185-L207 HydrophobicContact CE2-CG 4.41Å; Y185-L207 HydrophobicContact CG-CD1 4.33Å; D193-L207 PolarHBondContact OD2-N 3.34Å; L204-L207 HydrophobicContact CB-CB 3.87Å; L204-L207 HydrophobicContact CB-CD2 4.4Å; L204-L207 HydrophobicContact CD1-CD2 3.75Å; L204-L207 PolarHBondContact O-N 3.03Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.82Å; L207-T210 PolarHBondContact O-N 2.91Å; L207-L211 HydrophobicContact CD1-CD1 4.1Å; L207-L211 HydrophobicContact CD1-CG 4.14Å; L207-L211 HydrophobicContact CG-CD1 3.93Å; L207-L211 HydrophobicContact CG-CG 4.41Å; L207-L211 WeakPolarHBondContact O-CB 3.2Å; L207-L211 WeakPolarHBondContact O-CG 3.13Å; L207-L211 PolarHBondContact O-N 3.33Å
208	T	75.6	Confident	70.2	Confident	74 Å²	74	80.2 Å²	80.2	45%	0.454	44%	0.436	S	S	.	.	H	α-helix	trans	-60.8	-40.3	176	-59.5	0	0	0	0	111.6	L204 H206 A212	L204-T208 PolarHBondContact O-N 3.42Å; L204-T208 PolarHBondContact O-OG1 3.41Å; L204-T208 VanDerWaalsContact O-OG1 3.14Å; H206-T208 PolarHBondContact O-N 3.36Å; T208-A212 VanDerWaalsContact O-CB 3.27Å; T208-A212 WeakPolarHBondContact O-CB 3.4Å; T208-A212 PolarHBondContact O-N 2.81Å
209	R	76.4	Confident	69.6	Low	148 Å²	148	71.7 Å²	71.7	56%	0.558	41%	0.405	S	S	*	.	H	α-helix	trans	-65	-41.2	175.8	-172.4	-175.1	-62.1	140	4.5	112.4	P205 H206 L207 T213	P205-R209 VanDerWaalsContact O-CB 3.31Å; P205-R209 WeakPolarHBondContact O-CB 3.48Å; P205-R209 PolarHBondContact O-N 2.94Å; P205-R209 VanDerWaalsContact O-N 3.16Å; H206-R209 PolarHBondContact CD2-NH1 2.87Å; H206-R209 PolarHBondContact O-N 2.86Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.82Å; R209-T213 WeakPolarHBondContact O-CB 3.03Å; R209-T213 PolarHBondContact O-N 2.81Å; R209-T213 VanDerWaalsContact O-N 3.15Å; R209-T213 PolarHBondContact O-OG1 2.92Å
210	T	77.4	Confident	69.3	Low	26 Å²	26	70.9 Å²	70.9	16%	0.16	39%	0.388	C	S	.	.	H	α-helix	trans	-63.3	-53.5	174.9	-63.6	0	0	0	0	110.8	V181 H206 L207 A212 T213 S214	V181-T210 HydrophobicContact CG1-CG2 3.61Å; H206-T210 PolarHBondContact O-N 3.21Å; H206-T210 PolarHBondContact O-OG1 3.02Å; H206-T210 VanDerWaalsContact O-OG1 3.07Å; L207-T210 PolarHBondContact O-N 2.91Å; T210-A212 PolarHBondContact O-N 3.06Å; T210-T213 WeakPolarHBondContact O-CA 3.36Å; T210-T213 WeakPolarHBondContact O-CB 3.07Å; T210-T213 PolarHBondContact O-N 2.87Å; T210-S214 PolarHBondContact O-N 3.42Å; T210-S214 PolarHBondContact O-OG 2.89Å
211	L	69.1	Low	69.6	Low	89 Å²	89	72.4 Å²	72.4	47%	0.466	38%	0.377	S	S	.	.	H	α-helix	trans	-57.7	-47.4	179.5	-72.3	170.9	0	0	0	111.7	L207 T213 S214 C215	L207-L211 HydrophobicContact CD1-CD1 4.1Å; L207-L211 HydrophobicContact CD1-CG 4.14Å; L207-L211 HydrophobicContact CG-CD1 3.93Å; L207-L211 HydrophobicContact CG-CG 4.41Å; L207-L211 WeakPolarHBondContact O-CB 3.2Å; L207-L211 WeakPolarHBondContact O-CG 3.13Å; L207-L211 PolarHBondContact O-N 3.33Å; L211-T213 PolarHBondContact O-N 3.32Å; L211-S214 PolarHBondContact O-N 2.89Å; L211-C215 WeakPolarHBondContact O-CB 3.46Å; L211-C215 PolarHBondContact O-N 3.38Å; L211-C215 PolarHBondContact O-SG 3.49Å
212	A	69.8	Low	69.5	Low	20 Å²	20	72.8 Å²	72.8	17%	0.165	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-30.3	175.9	0	0	0	0	0	112.8	T208 T210 R216	T208-A212 VanDerWaalsContact O-CB 3.27Å; T208-A212 WeakPolarHBondContact O-CB 3.4Å; T208-A212 PolarHBondContact O-N 2.81Å; T210-A212 PolarHBondContact O-N 3.06Å; A212-R216 WeakPolarHBondContact O-CG 3.29Å; A212-R216 PolarHBondContact O-N 3.05Å; A212-R216 VanDerWaalsContact O-N 3.08Å; A212-R216 PolarHBondContact O-NE 2.92Å
213	T	69.6	Low	69.5	Low	47 Å²	47	70 Å²	70	29%	0.288	35%	0.352	S	S	.	.	H	α-helix	trans	-77.5	-41.4	177	-56.9	0	0	0	0	111.9	R209 T210 L211 R216 R217	R209-T213 WeakPolarHBondContact O-CB 3.03Å; R209-T213 PolarHBondContact O-N 2.81Å; R209-T213 VanDerWaalsContact O-N 3.15Å; R209-T213 PolarHBondContact O-OG1 2.92Å; T210-T213 WeakPolarHBondContact O-CA 3.36Å; T210-T213 WeakPolarHBondContact O-CB 3.07Å; T210-T213 PolarHBondContact O-N 2.87Å; L211-T213 PolarHBondContact O-N 3.32Å; T213-R216 PolarHBondContact O-N 3.42Å; T213-R216 PolarHBondContact OG1-NH2 3.44Å; T213-R217 PolarHBondContact O-N 2.85Å
214	S	70.1	Confident	69.2	Low	14 Å²	14	69.8 Å²	69.8	10%	0.098	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-45.4	170.1	-65.1	0	0	0	0	111.7	V181 T210 L211 R216 R217 L218	V181-S214 VanDerWaalsContact CG1-OG 3.29Å; V181-S214 WeakPolarHBondContact CG1-OG 3.33Å; T210-S214 PolarHBondContact O-N 3.42Å; T210-S214 PolarHBondContact O-OG 2.89Å; L211-S214 PolarHBondContact O-N 2.89Å; S214-R216 PolarHBondContact O-N 3.32Å; S214-R217 PolarHBondContact O-N 2.81Å; S214-L218 WeakPolarHBondContact O-CB 3.5Å; S214-L218 PolarHBondContact O-N 3.02Å
215	C	62.6	Low	68.4	Low	53 Å²	53	70.9 Å²	70.9	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-40.6	177.1	-67.6	0	0	0	0	112.6	L211 L218 H219 L286	L211-C215 WeakPolarHBondContact O-CB 3.46Å; L211-C215 PolarHBondContact O-N 3.38Å; L211-C215 PolarHBondContact O-SG 3.49Å; C215-L218 PolarHBondContact O-N 3.28Å; C215-H219 WeakPolarHBondContact O-CB 3.41Å; C215-H219 PolarHBondContact O-N 3.25Å; C215-L286 HydrophobicContact CB-CD1 4.33Å; C215-L286 HydrophobicContact CB-CD2 3.92Å
216	R	66.1	Low	68	Low	140 Å²	140	69.6 Å²	69.6	53%	0.528	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-42.2	173.7	-80	-176.4	-66.6	-98	-1.1	112.7	A212 T213 S214 H219 S220	A212-R216 WeakPolarHBondContact O-CG 3.29Å; A212-R216 PolarHBondContact O-N 3.05Å; A212-R216 VanDerWaalsContact O-N 3.08Å; A212-R216 PolarHBondContact O-NE 2.92Å; T213-R216 PolarHBondContact O-N 3.42Å; T213-R216 PolarHBondContact OG1-NH2 3.44Å; S214-R216 PolarHBondContact O-N 3.32Å; R216-H219 PolarHBondContact O-N 3.4Å; R216-S220 PolarHBondContact O-N 2.72Å; R216-S220 VanDerWaalsContact O-N 3.1Å
217	R	65.1	Low	67.3	Low	148 Å²	148	70.7 Å²	70.7	56%	0.558	36%	0.361	S	S	*	.	H	α-helix	trans	-63.2	-46.2	175.3	-74.3	-174.2	175.9	-140.2	1.1	111.4	T213 S214 H219 S220 E221	T213-R217 PolarHBondContact O-N 2.85Å; S214-R217 PolarHBondContact O-N 2.81Å; R217-H219 VanDerWaalsContact C-N 3.31Å; R217-H219 PolarHBondContact O-N 2.74Å; R217-S220 PolarHBondContact O-N 2.92Å; R217-S220 VanDerWaalsContact O-N 3.16Å; R217-E221 PolarHBondContact O-N 3.43Å; R217-E221 VanDerWaalsContact O-N 3.08Å
218	L	63.4	Low	66.4	Low	95 Å²	95	69.9 Å²	69.9	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-40.4	176.3	-176.7	62.1	0	0	0	112.1	S214 C215 S220 E221 V222	S214-L218 WeakPolarHBondContact O-CB 3.5Å; S214-L218 PolarHBondContact O-N 3.02Å; C215-L218 PolarHBondContact O-N 3.28Å; L218-S220 PolarHBondContact O-N 2.82Å; L218-E221 PolarHBondContact O-N 2.72Å; L218-V222 WeakPolarHBondContact O-CG2 3.4Å; L218-V222 PolarHBondContact O-N 3.05Å
219	H	62.8	Low	65.8	Low	32 Å²	32	68.1 Å²	68.1	15%	0.148	35%	0.352	C	S	.	.	H	α-helix	trans	-60.2	-44.4	175.1	-153.3	109.3	0	0	0	111.5	C215 R216 R217 E221 V222 D223 Q279	C215-H219 WeakPolarHBondContact O-CB 3.41Å; C215-H219 PolarHBondContact O-N 3.25Å; R216-H219 PolarHBondContact O-N 3.4Å; R217-H219 VanDerWaalsContact C-N 3.31Å; R217-H219 PolarHBondContact O-N 2.74Å; H219-E221 PolarHBondContact O-N 2.98Å; H219-V222 PolarHBondContact O-N 3.09Å; H219-D223 IonicContact CD2-OD2 3.34Å; H219-D223 PolarHBondContact CD2-OD2 2.76Å; H219-D223 PolarHBondContact O-N 2.81Å; H219-Q279 WeakPolarHBondContact NE2-CG 3.46Å; H219-Q279 PolarHBondContact NE2-NE2 3.31Å
220	S	61	Low	65.1	Low	55 Å²	55	64.5 Å²	64.5	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-65.1	-35.3	177.9	-174.5	0	0	0	0	113.4	R216 R217 L218 K224	R216-S220 PolarHBondContact O-N 2.72Å; R216-S220 VanDerWaalsContact O-N 3.1Å; R217-S220 PolarHBondContact O-N 2.92Å; R217-S220 VanDerWaalsContact O-N 3.16Å; L218-S220 PolarHBondContact O-N 2.82Å; S220-K224 VanDerWaalsContact O-CG 3.29Å; S220-K224 WeakPolarHBondContact O-CG 3.39Å; S220-K224 PolarHBondContact O-N 2.67Å; S220-K224 VanDerWaalsContact O-N 3.11Å
221	E	63.3	Low	64.7	Low	99 Å²	99	68 Å²	68	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-69.8	-38	172.6	-59.7	-47	131.9	0	0	112.1	R217 L218 H219 K224 V225	R217-E221 PolarHBondContact O-N 3.43Å; R217-E221 VanDerWaalsContact O-N 3.08Å; L218-E221 PolarHBondContact O-N 2.72Å; H219-E221 PolarHBondContact O-N 2.98Å; E221-K224 VanDerWaalsContact CD-NZ 3.25Å; E221-K224 PolarHBondContact O-N 3.35Å; E221-K224 IonicContact OE1-NZ 2.65Å; E221-K224 PolarHBondContact OE1-NZ 2.72Å; E221-K224 WeakPolarHBondContact OE2-CD 3.48Å; E221-K224 IonicContact OE2-NZ 3.13Å; E221-K224 PolarHBondContact OE2-NZ 3.22Å; E221-K224 VanDerWaalsContact OE2-NZ 3.13Å; E221-V225 WeakPolarHBondContact O-CG2 3.48Å; E221-V225 PolarHBondContact O-N 3.37Å
222	V	64.9	Low	64.1	Low	41 Å²	41	68 Å²	68	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-41.2	173.9	171	0	0	0	0	111.4	L218 H219 V225 L226	L218-V222 WeakPolarHBondContact O-CG2 3.4Å; L218-V222 PolarHBondContact O-N 3.05Å; H219-V222 PolarHBondContact O-N 3.09Å; V222-V225 PolarHBondContact O-N 3.21Å; V222-L226 HydrophobicContact CG1-CD1 3.97Å; V222-L226 HydrophobicContact CG1-CG 4.49Å; V222-L226 WeakPolarHBondContact O-CB 3.36Å; V222-L226 WeakPolarHBondContact O-CG 3.48Å; V222-L226 PolarHBondContact O-N 3.26Å
223	D	62.4	Low	63.6	Low	68 Å²	68	69 Å²	69	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-40.7	174.7	-80.8	-37.1	0	0	0	112.6	H219 L226 S227 Q279	H219-D223 IonicContact CD2-OD2 3.34Å; H219-D223 PolarHBondContact CD2-OD2 2.76Å; H219-D223 PolarHBondContact O-N 2.81Å; D223-L226 PolarHBondContact O-N 2.46Å; D223-S227 VanDerWaalsContact O-CB 3.3Å; D223-S227 WeakPolarHBondContact O-CB 3.31Å; D223-S227 PolarHBondContact O-N 3.06Å; D223-Q279 PolarHBondContact OD1-NE2 2.93Å
224	K	64.3	Low	63.1	Low	114 Å²	114	71.9 Å²	71.9	50%	0.496	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-43.2	174.6	-70.2	164.6	-173.5	172	0	111.6	S220 E221 S227 G228	S220-K224 VanDerWaalsContact O-CG 3.29Å; S220-K224 WeakPolarHBondContact O-CG 3.39Å; S220-K224 PolarHBondContact O-N 2.67Å; S220-K224 VanDerWaalsContact O-N 3.11Å; E221-K224 VanDerWaalsContact CD-NZ 3.25Å; E221-K224 PolarHBondContact O-N 3.35Å; E221-K224 IonicContact OE1-NZ 2.65Å; E221-K224 PolarHBondContact OE1-NZ 2.72Å; E221-K224 WeakPolarHBondContact OE2-CD 3.48Å; E221-K224 IonicContact OE2-NZ 3.13Å; E221-K224 PolarHBondContact OE2-NZ 3.22Å; E221-K224 VanDerWaalsContact OE2-NZ 3.13Å; K224-S227 PolarHBondContact O-N 2.73Å; K224-G228 PolarHBondContact O-N 2.84Å
225	V	64.2	Low	62.6	Low	86 Å²	86	74.4 Å²	74.4	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-65.8	-42.8	177.5	171	0	0	0	0	111.1	E221 V222 G228 L229	E221-V225 WeakPolarHBondContact O-CG2 3.48Å; E221-V225 PolarHBondContact O-N 3.37Å; V222-V225 PolarHBondContact O-N 3.21Å; V225-G228 PolarHBondContact O-N 2.66Å; V225-L229 HydrophobicContact CG1-CD1 4.05Å; V225-L229 WeakPolarHBondContact O-CB 3.36Å; V225-L229 WeakPolarHBondContact O-CG 3.49Å; V225-L229 PolarHBondContact O-N 3.12Å
226	L	62.9	Low	62.3	Low	20 Å²	20	75.5 Å²	75.5	11%	0.105	39%	0.386	C	S	.	.	H	α-helix	trans	-62.3	-42.2	174.2	-81.7	169.3	0	0	0	112.4	V222 D223 L229 E230 K272 L275	V222-L226 HydrophobicContact CG1-CD1 3.97Å; V222-L226 HydrophobicContact CG1-CG 4.49Å; V222-L226 WeakPolarHBondContact O-CB 3.36Å; V222-L226 WeakPolarHBondContact O-CG 3.48Å; V222-L226 PolarHBondContact O-N 3.26Å; D223-L226 PolarHBondContact O-N 2.46Å; L226-L229 PolarHBondContact O-N 2.71Å; L226-E230 WeakPolarHBondContact O-CB 3.48Å; L226-E230 PolarHBondContact O-N 2.91Å; L226-K272 HydrophobicContact CD2-CG 4.36Å; L226-L275 HydrophobicContact CD1-CB 4.5Å; L226-L275 HydrophobicContact CD2-CB 3.74Å; L226-L275 HydrophobicContact CD2-CD1 4.12Å; L226-L275 HydrophobicContact CG-CB 4.33Å
227	S	64.7	Low	61.7	Low	68 Å²	68	73.5 Å²	73.5	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-63.8	-41.3	174.9	-173.4	0	0	0	0	111.9	D223 K224 E230 I231	D223-S227 VanDerWaalsContact O-CB 3.3Å; D223-S227 WeakPolarHBondContact O-CB 3.31Å; D223-S227 PolarHBondContact O-N 3.06Å; K224-S227 PolarHBondContact O-N 2.73Å; S227-E230 PolarHBondContact O-N 2.72Å; S227-I231 VanDerWaalsContact O-CG1 3.31Å; S227-I231 WeakPolarHBondContact O-CG1 3.44Å; S227-I231 PolarHBondContact O-N 2.96Å
228	G	59.9	Low	61.1	Low	30 Å²	30	74 Å²	74	31%	0.309	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-42.6	173.7	0	0	0	0	0	113.2	K224 V225 I231 L232	K224-G228 PolarHBondContact O-N 2.84Å; V225-G228 PolarHBondContact O-N 2.66Å; G228-I231 PolarHBondContact O-N 2.87Å; G228-L232 WeakPolarHBondContact O-CG 3.34Å; G228-L232 PolarHBondContact O-N 2.66Å
229	L	61.8	Low	60.4	Low	37 Å²	37	75.8 Å²	75.8	19%	0.194	40%	0.4	C	S	.	.	H	α-helix	trans	-64.1	-37.8	173.8	-74.8	165.8	0	0	0	112.2	V225 L226 L232 S233 L268 L271 L275	V225-L229 HydrophobicContact CG1-CD1 4.05Å; V225-L229 WeakPolarHBondContact O-CB 3.36Å; V225-L229 WeakPolarHBondContact O-CG 3.49Å; V225-L229 PolarHBondContact O-N 3.12Å; L226-L229 PolarHBondContact O-N 2.71Å; L229-L232 PolarHBondContact O-N 3.17Å; L229-S233 PolarHBondContact O-N 3.37Å; L229-L268 HydrophobicContact CD2-CD2 3.92Å; L229-L271 HydrophobicContact CD1-CD2 4.34Å; L229-L275 HydrophobicContact CD1-CD1 3.85Å
230	E	62.8	Low	59.8	Low	73 Å²	73	79.5 Å²	79.5	34%	0.341	43%	0.43	S	S	.	.	H	α-helix	trans	-73.5	-31.3	177.1	-166.6	175.2	-90	0	0	112.8	L226 S227 K234 K272	L226-E230 WeakPolarHBondContact O-CB 3.48Å; L226-E230 PolarHBondContact O-N 2.91Å; S227-E230 PolarHBondContact O-N 2.72Å; E230-K234 WeakPolarHBondContact O-CG 3.43Å; E230-K234 PolarHBondContact O-N 2.97Å; E230-K234 VanDerWaalsContact O-N 3.14Å; E230-K234 IonicContact OE2-NZ 2.91Å; E230-K234 PolarHBondContact OE2-NZ 3.19Å; E230-K272 WeakPolarHBondContact OE1-CE 3.49Å; E230-K272 IonicContact OE1-NZ 3.64Å; E230-K272 PolarHBondContact OE1-NZ 3.49Å
231	I	68.8	Low	59.1	Low	100 Å²	100	79.7 Å²	79.7	51%	0.513	43%	0.431	S	S	.	.	H	α-helix	trans	-64.6	-47.2	168.6	-69.8	163.7	0	0	0	110.1	S227 G228 S233 K234 V235	S227-I231 VanDerWaalsContact O-CG1 3.31Å; S227-I231 WeakPolarHBondContact O-CG1 3.44Å; S227-I231 PolarHBondContact O-N 2.96Å; G228-I231 PolarHBondContact O-N 2.87Å; I231-S233 VanDerWaalsContact C-N 3.34Å; I231-S233 PolarHBondContact O-N 2.92Å; I231-K234 PolarHBondContact O-N 3.43Å; I231-V235 HydrophobicContact CG2-CG2 4.46Å; I231-V235 WeakPolarHBondContact O-CG2 3.39Å; I231-V235 PolarHBondContact O-N 3.22Å
232	L	56.4	Low	58.5	Low	88 Å²	88	79.9 Å²	79.9	46%	0.461	44%	0.441	S	S	.	.	H	α-helix	trans	-57.5	-45.5	175.8	-79	163.7	0	0	0	111.9	G228 L229 K234 V235 F236	G228-L232 WeakPolarHBondContact O-CG 3.34Å; G228-L232 PolarHBondContact O-N 2.66Å; L229-L232 PolarHBondContact O-N 3.17Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 3.4Å; L232-V235 PolarHBondContact O-N 2.68Å; L232-V235 VanDerWaalsContact O-N 3.15Å; L232-F236 VanDerWaalsContact O-CD2 3.27Å; L232-F236 WeakPolarHBondContact O-CD2 3.39Å; L232-F236 PolarHBondContact O-N 3.21Å
233	S	57.8	Low	57.5	Low	42 Å²	42	85 Å²	85	29%	0.294	46%	0.464	S	S	.	.	H	α-helix	trans	-53.7	-48.8	174.5	-165.8	0	0	0	0	111.8	L229 I231 V235 F236 D237	L229-S233 PolarHBondContact O-N 3.37Å; I231-S233 VanDerWaalsContact C-N 3.34Å; I231-S233 PolarHBondContact O-N 2.92Å; S233-V235 VanDerWaalsContact C-N 3.32Å; S233-V235 PolarHBondContact O-N 2.86Å; S233-F236 PolarHBondContact O-N 2.99Å; S233-D237 PolarHBondContact O-N 2.9Å
234	K	60.1	Low	56.9	Low	106 Å²	106	85.6 Å²	85.6	46%	0.461	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-29.7	179.7	-70.7	165.9	-173	161.5	0	113.1	E230 I231 L232 Q238	E230-K234 WeakPolarHBondContact O-CG 3.43Å; E230-K234 PolarHBondContact O-N 2.97Å; E230-K234 VanDerWaalsContact O-N 3.14Å; E230-K234 IonicContact OE2-NZ 2.91Å; E230-K234 PolarHBondContact OE2-NZ 3.19Å; I231-K234 PolarHBondContact O-N 3.43Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 3.4Å; K234-Q238 WeakPolarHBondContact O-CB 3.11Å; K234-Q238 WeakPolarHBondContact O-CG 3.29Å; K234-Q238 PolarHBondContact O-N 3.29Å; K234-Q238 VanDerWaalsContact O-N 3.1Å
235	V	60.1	Low	56.1	Low	68 Å²	68	84.8 Å²	84.8	41%	0.412	47%	0.474	S	S	.	.	H	α-helix	trans	-69.7	-39.7	174.2	170.1	0	0	0	0	111.2	I231 L232 S233	I231-V235 HydrophobicContact CG2-CG2 4.46Å; I231-V235 WeakPolarHBondContact O-CG2 3.39Å; I231-V235 PolarHBondContact O-N 3.22Å; L232-V235 PolarHBondContact O-N 2.68Å; L232-V235 VanDerWaalsContact O-N 3.15Å; S233-V235 VanDerWaalsContact C-N 3.32Å; S233-V235 PolarHBondContact O-N 2.86Å
236	F	54.8	Low	55.3	Low	76 Å²	76	90.8 Å²	90.8	33%	0.333	49%	0.488	S	S	.	.	H	α-helix	trans	-70.6	-41.1	174.6	-76.3	-70.1	0	0	0	112.2	L232 S233 Q238 Q239 L261	L232-F236 VanDerWaalsContact O-CD2 3.27Å; L232-F236 WeakPolarHBondContact O-CD2 3.39Å; L232-F236 PolarHBondContact O-N 3.21Å; S233-F236 PolarHBondContact O-N 2.99Å; F236-Q238 VanDerWaalsContact C-N 3.29Å; F236-Q238 PolarHBondContact O-N 2.89Å; F236-Q239 PolarHBondContact O-N 2.72Å; F236-L261 HydrophobicContact CD1-CD1 4.18Å
237	D	53.5	Low	54.7	Low	97 Å²	97	96.8 Å²	96.8	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-55.2	-43.6	172.1	-75.1	-37.9	0	0	0	111.9	S233 Q239 S240	S233-D237 PolarHBondContact O-N 2.9Å; D237-Q239 PolarHBondContact O-N 2.9Å; D237-S240 WeakPolarHBondContact O-CB 3.39Å; D237-S240 PolarHBondContact O-N 3.37Å; D237-S240 PolarHBondContact O-OG 2.95Å
238	Q	53	Low	53.9	Low	160 Å²	160	99.7 Å²	99.7	75%	0.748	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.7	-177.5	-78.9	-172.7	-8.1	0	0	115.2	K234 F236 S240	K234-Q238 WeakPolarHBondContact O-CB 3.11Å; K234-Q238 WeakPolarHBondContact O-CG 3.29Å; K234-Q238 PolarHBondContact O-N 3.29Å; K234-Q238 VanDerWaalsContact O-N 3.1Å; F236-Q238 VanDerWaalsContact C-N 3.29Å; F236-Q238 PolarHBondContact O-N 2.89Å; Q238-S240 PolarHBondContact O-N 3.41Å
239	Q	49.4	Very low	53.3	Low	131 Å²	131	106.5 Å²	106.5	61%	0.612	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-8	173.8	-68.6	-172.9	4.5	0	0	113.3	F236 D237 S241	F236-Q239 PolarHBondContact O-N 2.72Å; D237-Q239 PolarHBondContact O-N 2.9Å; Q239-S241 PolarHBondContact O-N 3.17Å
240	S	49.9	Very low	52.7	Low	110 Å²	110	113.3 Å²	113.3	77%	0.769	58%	0.583	S	S	*	*			trans	-71.7	32.1	173.4	64.5	0	0	0	0	114.9	D237 Q238	D237-S240 WeakPolarHBondContact O-CB 3.39Å; D237-S240 PolarHBondContact O-N 3.37Å; D237-S240 PolarHBondContact O-OG 2.95Å; Q238-S240 PolarHBondContact O-N 3.41Å
241	S	46.7	Very low	51.9	Low	60 Å²	60	118.3 Å²	118.3	42%	0.42	61%	0.607	S	S	.	*			trans	-82.4	133.1	-179.6	178.9	0	0	0	0	112.1	Q239 M243 V244	Q239-S241 PolarHBondContact O-N 3.17Å; S241-M243 PolarHBondContact O-N 3.14Å; S241-V244 PolarHBondContact O-N 3.42Å; S241-V244 VanDerWaalsContact O-N 3.09Å
242	P	49.9	Very low	50.8	Low	102 Å²	102	121.6 Å²	121.6	66%	0.662	63%	0.625	S	S	*	*	H	α-helix	trans	-66.7	-2.1	-173.5	27.7	-36.6	0	0	0	115.1
243	M	45.1	Very low	50.2	Low	150 Å²	150	125.4 Å²	125.4	74%	0.739	65%	0.645	S	S	*	*	H	α-helix	trans	-74.1	-29.4	172.2	-166.4	167.6	-179	0	0	112.4	S241	S241-M243 PolarHBondContact O-N 3.14Å
244	V	48.8	Very low	49.6	Very low	79 Å²	79	128.1 Å²	128.1	48%	0.479	66%	0.662	S	S	.	*	H	α-helix	trans	-71.4	-41.5	177.8	-177.4	0	0	0	0	110.8	S241 R246 L247 L248	S241-V244 PolarHBondContact O-N 3.42Å; S241-V244 VanDerWaalsContact O-N 3.09Å; V244-R246 PolarHBondContact O-N 3.38Å; V244-R246 VanDerWaalsContact O-N 3.15Å; V244-L247 PolarHBondContact O-N 2.91Å; V244-L248 HydrophobicContact CG1-CD1 4.19Å; V244-L248 PolarHBondContact O-N 3.28Å
245	T	48.3	Very low	49.3	Very low	97 Å²	97	131.2 Å²	131.2	60%	0.595	68%	0.678	S	S	*	*	H	α-helix	trans	-58.2	-30.3	-178.9	-35.4	0	0	0	0	113.2
246	R	47.6	Very low	48.8	Very low	212 Å²	212	132.8 Å²	132.8	80%	0.8	69%	0.688	S	S	*	*	H	α-helix	trans	-76.7	-24.7	176.8	-76.6	-171.3	176.3	177.5	0.2	114.4	V244	V244-R246 PolarHBondContact O-N 3.38Å; V244-R246 VanDerWaalsContact O-N 3.15Å
247	L	49.3	Very low	48.6	Very low	146 Å²	146	131.3 Å²	131.3	76%	0.764	69%	0.694	S	S	*	*	H	α-helix	trans	-79.6	-30	176.9	-93.7	159	0	0	0	112.1	V244	V244-L247 PolarHBondContact O-N 2.91Å
248	L	47.3	Very low	48.5	Very low	130 Å²	130	133.7 Å²	133.7	68%	0.681	70%	0.702	S	S	*	*	H	α-helix	trans	-79.3	-17.2	178.1	-72.9	165.4	0	0	0	113.9	V244 Q250	V244-L248 HydrophobicContact CG1-CD1 4.19Å; V244-L248 PolarHBondContact O-N 3.28Å; L248-Q250 PolarHBondContact O-N 2.91Å
249	Q	47.6	Very low	48.5	Very low	172 Å²	172	133 Å²	133	80%	0.804	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	13.9	-177.5	-154.5	168.5	39.4	0	0	114.6
250	Q	49.9	Very low	48.7	Very low	181 Å²	181	133.7 Å²	133.7	85%	0.846	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	2	-178.5	-124	178.8	8.9	0	0	115.8	L248	L248-Q250 PolarHBondContact O-N 2.91Å
251	Q	44.9	Very low	48.9	Very low	178 Å²	178	132.8 Å²	132.8	83%	0.832	69%	0.688	S	S	*	*	S	Bend	trans	-140.7	134	170.6	-71.5	-170.2	-26.2	0	0	111.8
252	N	46.8	Very low	49.4	Very low	168 Å²	168	136.7 Å²	136.7	90%	0.898	70%	0.7	S	S	*	*			trans	-83.3	122.5	179.2	-68.7	-29	0	0	0	111.2
253	L	42.7	Very low	49.5	Very low	168 Å²	168	134 Å²	134	88%	0.88	68%	0.683	S	S	*	*			trans	-146.4	160.6	165.5	-124.8	66.9	0	0	0	108.5
254	P	46.4	Very low	50.1	Low	100 Å²	100	130.6 Å²	130.6	65%	0.649	67%	0.668	S	S	*	*			trans	-86.4	166.4	-166.6	34.7	-33.9	0	0	0	114.6	T256	P254-T256 PolarHBondContact O-N 2.96Å
255	Q	52.3	Low	50.8	Low	171 Å²	171	129.7 Å²	129.7	80%	0.799	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	26.7	-165.8	-58	176	-68.6	0	0	116.1
256	T	50.7	Low	51.4	Low	100 Å²	100	130.9 Å²	130.9	61%	0.613	67%	0.665	S	S	*	*	H	α-helix	trans	-78.5	-31.4	-175.1	45.4	0	0	0	0	114.1	P254 E258	P254-T256 PolarHBondContact O-N 2.96Å; T256-E258 PolarHBondContact O-N 3.32Å
257	G	50.6	Low	51.8	Low	46 Å²	46	127 Å²	127	47%	0.474	65%	0.653	S	S	.	*	H	α-helix	trans	-69.5	-33.1	-170.8	0	0	0	0	0	115.9	E260 L261	G257-E260 PolarHBondContact O-N 3.3Å; G257-L261 PolarHBondContact O-N 3.28Å
258	E	52.3	Low	52.4	Low	146 Å²	146	122 Å²	122	68%	0.682	63%	0.628	S	S	*	*	H	α-helix	trans	-69.3	-41.1	-177.6	-68.2	-177.2	134.9	0	0	111.7	T256 E260 L261 E262	T256-E258 PolarHBondContact O-N 3.32Å; E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.14Å; E258-L261 PolarHBondContact O-N 3.08Å; E258-E262 PolarHBondContact O-N 2.96Å
259	Q	52.5	Low	52.8	Low	145 Å²	145	118.6 Å²	118.6	68%	0.678	61%	0.614	S	S	*	*	H	α-helix	trans	-65.2	-33.8	177.9	-67.4	-170.6	-3.1	0	0	112.8	S263	Q259-S263 WeakPolarHBondContact O-CB 3.38Å; Q259-S263 PolarHBondContact O-N 2.91Å
260	E	52.2	Low	53.3	Low	147 Å²	147	114.8 Å²	114.8	69%	0.687	60%	0.603	S	S	*	*	H	α-helix	trans	-68.9	-38.6	175.2	-67.4	-164.6	142.7	0	0	111.9	G257 E258 S263 L264	G257-E260 PolarHBondContact O-N 3.3Å; E258-E260 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 3.14Å; E260-S263 PolarHBondContact O-N 2.83Å; E260-L264 WeakPolarHBondContact O-CB 3.41Å; E260-L264 PolarHBondContact O-N 2.93Å
261	L	55.9	Low	53.6	Low	90 Å²	90	110.3 Å²	110.3	47%	0.471	58%	0.584	S	S	.	*	H	α-helix	trans	-67.9	-46	176.9	-173.7	61	0	0	0	111.7	F236 G257 E258 S263 L264 V265	F236-L261 HydrophobicContact CD1-CD1 4.18Å; G257-L261 PolarHBondContact O-N 3.28Å; E258-L261 PolarHBondContact O-N 3.08Å; L261-S263 VanDerWaalsContact C-N 3.31Å; L261-S263 PolarHBondContact O-N 2.84Å; L261-L264 PolarHBondContact O-N 2.89Å; L261-L264 VanDerWaalsContact O-N 3.17Å; L261-V265 WeakPolarHBondContact O-CG2 3.33Å; L261-V265 PolarHBondContact O-N 3.35Å
262	E	55.6	Low	54.3	Low	142 Å²	142	105.4 Å²	105.4	66%	0.664	56%	0.56	S	S	*	*	H	α-helix	trans	-59.6	-42.5	172.5	-71.7	-168.5	147.3	0	0	111.5	E258 L264 V265 L266	E258-E262 PolarHBondContact O-N 2.96Å; E262-L264 VanDerWaalsContact C-N 3.29Å; E262-L264 PolarHBondContact O-N 2.86Å; E262-V265 PolarHBondContact O-N 2.79Å; E262-L266 WeakPolarHBondContact O-CB 3.37Å; E262-L266 PolarHBondContact O-N 2.89Å
263	S	52.8	Low	54.8	Low	45 Å²	45	101.9 Å²	101.9	32%	0.315	54%	0.541	S	S	.	.	H	α-helix	trans	-61.2	-37.6	176	-164.4	0	0	0	0	112.2	Q259 E260 L261 K267	Q259-S263 WeakPolarHBondContact O-CB 3.38Å; Q259-S263 PolarHBondContact O-N 2.91Å; E260-S263 PolarHBondContact O-N 2.83Å; L261-S263 VanDerWaalsContact C-N 3.31Å; L261-S263 PolarHBondContact O-N 2.84Å; S263-K267 WeakPolarHBondContact O-CB 3.33Å; S263-K267 WeakPolarHBondContact O-CD 3.47Å; S263-K267 WeakPolarHBondContact O-CG 3.38Å; S263-K267 PolarHBondContact O-N 3.04Å; S263-K267 VanDerWaalsContact O-N 3.08Å; S263-K267 WeakPolarHBondContact OG-CE 3.39Å; S263-K267 PolarHBondContact OG-NZ 2.82Å
264	L	57.7	Low	55.2	Low	79 Å²	79	100.4 Å²	100.4	41%	0.414	53%	0.528	S	S	.	.	H	α-helix	trans	-70.1	-44.5	177.2	-174.9	63	0	0	0	111.9	E260 L261 E262 K267 L268	E260-L264 WeakPolarHBondContact O-CB 3.41Å; E260-L264 PolarHBondContact O-N 2.93Å; L261-L264 PolarHBondContact O-N 2.89Å; L261-L264 VanDerWaalsContact O-N 3.17Å; E262-L264 VanDerWaalsContact C-N 3.29Å; E262-L264 PolarHBondContact O-N 2.86Å; L264-K267 PolarHBondContact O-N 3.08Å; L264-L268 HydrophobicContact CG-CD1 4.25Å; L264-L268 WeakPolarHBondContact O-CB 3.5Å; L264-L268 WeakPolarHBondContact O-CG 3.26Å; L264-L268 PolarHBondContact O-N 3.39Å
265	V	63.5	Low	55.7	Low	61 Å²	61	97.5 Å²	97.5	37%	0.37	51%	0.506	S	S	.	.	H	α-helix	trans	-61.6	-43.6	175.6	172.2	0	0	0	0	110.9	L261 E262 K267 L268 S269	L261-V265 WeakPolarHBondContact O-CG2 3.33Å; L261-V265 PolarHBondContact O-N 3.35Å; E262-V265 PolarHBondContact O-N 2.79Å; V265-K267 PolarHBondContact O-N 3.18Å; V265-L268 PolarHBondContact O-N 3.08Å; V265-S269 PolarHBondContact O-N 3.41Å
266	L	60.9	Low	56	Low	122 Å²	122	90.7 Å²	90.7	64%	0.639	48%	0.478	S	S	*	.	H	α-helix	trans	-62.2	-43.8	176.7	-164.6	75.4	0	0	0	111.7	E262 L268 S269 V270	E262-L266 WeakPolarHBondContact O-CB 3.37Å; E262-L266 PolarHBondContact O-N 2.89Å; L266-L268 PolarHBondContact O-N 2.9Å; L266-S269 PolarHBondContact O-N 2.83Å; L266-V270 WeakPolarHBondContact O-CG2 3.37Å; L266-V270 PolarHBondContact O-N 2.79Å
267	K	55.1	Low	56	Low	129 Å²	129	87.2 Å²	87.2	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-62.3	-39.9	174.9	-73.5	160.4	-174	148.6	0	112	S263 L264 V265 V270 L271	S263-K267 WeakPolarHBondContact O-CB 3.33Å; S263-K267 WeakPolarHBondContact O-CD 3.47Å; S263-K267 WeakPolarHBondContact O-CG 3.38Å; S263-K267 PolarHBondContact O-N 3.04Å; S263-K267 VanDerWaalsContact O-N 3.08Å; S263-K267 WeakPolarHBondContact OG-CE 3.39Å; S263-K267 PolarHBondContact OG-NZ 2.82Å; L264-K267 PolarHBondContact O-N 3.08Å; V265-K267 PolarHBondContact O-N 3.18Å; K267-V270 PolarHBondContact O-N 3.16Å; K267-L271 WeakPolarHBondContact O-CB 3.23Å; K267-L271 PolarHBondContact O-N 3.02Å
268	L	62.2	Low	56.3	Low	43 Å²	43	88.9 Å²	88.9	23%	0.225	46%	0.459	C	S	.	.	H	α-helix	trans	-65.6	-40.8	175.9	-77.2	165.9	0	0	0	112	L229 L264 V265 L266 L271 K272	L229-L268 HydrophobicContact CD2-CD2 3.92Å; L264-L268 HydrophobicContact CG-CD1 4.25Å; L264-L268 WeakPolarHBondContact O-CB 3.5Å; L264-L268 WeakPolarHBondContact O-CG 3.26Å; L264-L268 PolarHBondContact O-N 3.39Å; V265-L268 PolarHBondContact O-N 3.08Å; L266-L268 PolarHBondContact O-N 2.9Å; L268-L271 PolarHBondContact O-N 2.94Å; L268-K272 WeakPolarHBondContact O-CB 3.34Å; L268-K272 PolarHBondContact O-N 3.13Å
269	S	56	Low	56.4	Low	57 Å²	57	84.2 Å²	84.2	40%	0.399	44%	0.438	S	S	.	.	H	α-helix	trans	-62.5	-48.3	174.4	-164.3	0	0	0	0	111.6	V265 L266 L271 K272 D273	V265-S269 PolarHBondContact O-N 3.41Å; L266-S269 PolarHBondContact O-N 2.83Å; S269-L271 VanDerWaalsContact C-N 3.26Å; S269-L271 PolarHBondContact O-N 2.88Å; S269-K272 WeakPolarHBondContact O-CB 3.43Å; S269-K272 PolarHBondContact O-N 3.27Å; S269-K272 VanDerWaalsContact O-N 3.1Å; S269-D273 PolarHBondContact O-N 3.3Å
270	V	58.4	Low	56.7	Low	93 Å²	93	84.3 Å²	84.3	56%	0.564	44%	0.436	S	S	*	.	H	α-helix	trans	-59.1	-37.8	177.4	171.6	0	0	0	0	111.6	L266 K267 F274	L266-V270 WeakPolarHBondContact O-CG2 3.37Å; L266-V270 PolarHBondContact O-N 2.79Å; K267-V270 PolarHBondContact O-N 3.16Å; V270-F274 VanDerWaalsContact O-CB 3.3Å; V270-F274 WeakPolarHBondContact O-CB 3.46Å; V270-F274 PolarHBondContact O-N 3.19Å
271	L	55.4	Low	56.7	Low	86 Å²	86	85.1 Å²	85.1	45%	0.45	44%	0.437	S	S	.	.	H	α-helix	trans	-67.2	-43.1	175.6	-158.7	80.8	0	0	0	112	L229 K267 L268 S269 F274 L275	L229-L271 HydrophobicContact CD1-CD2 4.34Å; K267-L271 WeakPolarHBondContact O-CB 3.23Å; K267-L271 PolarHBondContact O-N 3.02Å; L268-L271 PolarHBondContact O-N 2.94Å; S269-L271 VanDerWaalsContact C-N 3.26Å; S269-L271 PolarHBondContact O-N 2.88Å; L271-F274 PolarHBondContact O-N 2.9Å; L271-L275 HydrophobicContact CG-CD1 4.32Å; L271-L275 WeakPolarHBondContact O-CB 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.1Å; L271-L275 PolarHBondContact O-N 2.92Å
272	K	60.6	Low	56.7	Low	75 Å²	75	82.8 Å²	82.8	33%	0.326	43%	0.43	S	S	.	.	H	α-helix	trans	-60.1	-47.4	175.5	-175.9	-175.6	-175	178.3	0	111.3	L226 E230 L268 S269 L275 S276	L226-K272 HydrophobicContact CD2-CG 4.36Å; E230-K272 WeakPolarHBondContact OE1-CE 3.49Å; E230-K272 IonicContact OE1-NZ 3.64Å; E230-K272 PolarHBondContact OE1-NZ 3.49Å; L268-K272 WeakPolarHBondContact O-CB 3.34Å; L268-K272 PolarHBondContact O-N 3.13Å; S269-K272 WeakPolarHBondContact O-CB 3.43Å; S269-K272 PolarHBondContact O-N 3.27Å; S269-K272 VanDerWaalsContact O-N 3.1Å; K272-L275 PolarHBondContact O-N 3.07Å; K272-S276 WeakPolarHBondContact O-CB 3.2Å; K272-S276 PolarHBondContact O-N 3.31Å
273	D	57.3	Low	56.6	Low	94 Å²	94	79.7 Å²	79.7	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-44.6	179.7	-71.4	-40.3	0	0	0	111.6	S269 S276 G277	S269-D273 PolarHBondContact O-N 3.3Å; D273-S276 PolarHBondContact O-N 3.24Å; D273-S276 PolarHBondContact O-OG 2.65Å; D273-G277 PolarHBondContact O-N 3Å
274	F	51.6	Low	56.8	Low	138 Å²	138	83.6 Å²	83.6	61%	0.605	43%	0.429	S	S	*	.	H	α-helix	trans	-61.5	-45.3	176.5	-175.4	-104.6	0	0	0	112.4	V270 L271 G277 I278	V270-F274 VanDerWaalsContact O-CB 3.3Å; V270-F274 WeakPolarHBondContact O-CB 3.46Å; V270-F274 PolarHBondContact O-N 3.19Å; L271-F274 PolarHBondContact O-N 2.9Å; F274-G277 PolarHBondContact O-N 3.12Å; F274-G277 VanDerWaalsContact O-N 3.17Å; F274-I278 HydrophobicContact CD1-CD1 3.96Å; F274-I278 HydrophobicContact CE1-CD1 3.53Å; F274-I278 HydrophobicContact CE1-CG1 4.48Å; F274-I278 HydrophobicContact CZ-CD1 4.04Å; F274-I278 PolarHBondContact O-N 2.95Å
275	L	55.3	Low	56.5	Low	38 Å²	38	82.1 Å²	82.1	20%	0.199	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-40.8	175.1	-75.2	169.7	0	0	0	111.8	L226 L229 L271 K272 G277 I278 Q279	L226-L275 HydrophobicContact CD1-CB 4.5Å; L226-L275 HydrophobicContact CD2-CB 3.74Å; L226-L275 HydrophobicContact CD2-CD1 4.12Å; L226-L275 HydrophobicContact CG-CB 4.33Å; L229-L275 HydrophobicContact CD1-CD1 3.85Å; L271-L275 HydrophobicContact CG-CD1 4.32Å; L271-L275 WeakPolarHBondContact O-CB 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.1Å; L271-L275 PolarHBondContact O-N 2.92Å; K272-L275 PolarHBondContact O-N 3.07Å; L275-G277 VanDerWaalsContact C-N 3.26Å; L275-G277 PolarHBondContact O-N 3.05Å; L275-I278 PolarHBondContact O-N 3.1Å; L275-Q279 WeakPolarHBondContact O-CB 3.47Å; L275-Q279 PolarHBondContact O-N 2.66Å
276	S	59.1	Low	55.9	Low	29 Å²	29	81.2 Å²	81.2	20%	0.203	42%	0.422	C	S	.	.	H	α-helix	trans	-63.4	-33.1	173.4	90.5	0	0	0	0	112.4	K272 D273 Q279 K280	K272-S276 WeakPolarHBondContact O-CB 3.2Å; K272-S276 PolarHBondContact O-N 3.31Å; D273-S276 PolarHBondContact O-N 3.24Å; D273-S276 PolarHBondContact O-OG 2.65Å; S276-Q279 PolarHBondContact O-N 2.85Å; S276-K280 WeakPolarHBondContact O-CB 3.35Å; S276-K280 WeakPolarHBondContact O-CG 3.35Å; S276-K280 PolarHBondContact O-N 3.21Å
277	G	51.5	Low	55.6	Low	27 Å²	27	80.9 Å²	80.9	28%	0.278	42%	0.417	S	S	.	.	H	α-helix	trans	-67.8	-38.4	174.5	0	0	0	0	0	112.7	D273 F274 L275 K281	D273-G277 PolarHBondContact O-N 3Å; F274-G277 PolarHBondContact O-N 3.12Å; F274-G277 VanDerWaalsContact O-N 3.17Å; L275-G277 VanDerWaalsContact C-N 3.26Å; L275-G277 PolarHBondContact O-N 3.05Å; G277-K281 VanDerWaalsContact O-CG 3.29Å; G277-K281 WeakPolarHBondContact O-CG 3.43Å; G277-K281 PolarHBondContact O-N 2.9Å
278	I	57.4	Low	55.4	Low	81 Å²	81	78.8 Å²	78.8	42%	0.415	41%	0.412	S	S	.	.	H	α-helix	trans	-66.4	-46	170.6	-68.8	171.7	0	0	0	110.1	F274 L275 K280 K281 A282	F274-I278 HydrophobicContact CD1-CD1 3.96Å; F274-I278 HydrophobicContact CE1-CD1 3.53Å; F274-I278 HydrophobicContact CE1-CG1 4.48Å; F274-I278 HydrophobicContact CZ-CD1 4.04Å; F274-I278 PolarHBondContact O-N 2.95Å; L275-I278 PolarHBondContact O-N 3.1Å; I278-K280 PolarHBondContact O-N 3.29Å; I278-K281 PolarHBondContact O-N 3.48Å; I278-A282 WeakPolarHBondContact O-CB 3.46Å; I278-A282 PolarHBondContact O-N 2.87Å
279	Q	54.1	Low	54.7	Low	48 Å²	48	82.6 Å²	82.6	22%	0.224	43%	0.43	C	S	.	.	H	α-helix	trans	-57.3	-48.5	178.8	-170.5	-178.8	17.4	0	0	111.9	H219 D223 L275 S276 K281 A282 L283	H219-Q279 WeakPolarHBondContact NE2-CG 3.46Å; H219-Q279 PolarHBondContact NE2-NE2 3.31Å; D223-Q279 PolarHBondContact OD1-NE2 2.93Å; L275-Q279 WeakPolarHBondContact O-CB 3.47Å; L275-Q279 PolarHBondContact O-N 2.66Å; S276-Q279 PolarHBondContact O-N 2.85Å; Q279-K281 VanDerWaalsContact C-N 3.34Å; Q279-K281 PolarHBondContact O-N 2.62Å; Q279-A282 PolarHBondContact O-N 3.41Å; Q279-L283 WeakPolarHBondContact O-CB 3.44Å; Q279-L283 PolarHBondContact O-N 3.43Å
280	K	58.8	Low	54.2	Low	147 Å²	147	84.9 Å²	84.9	64%	0.639	45%	0.446	S	S	*	.	H	α-helix	trans	-61	-39.6	176.9	-74.5	167.2	-178.2	165	0	112.5	S276 I278 K284	S276-K280 WeakPolarHBondContact O-CB 3.35Å; S276-K280 WeakPolarHBondContact O-CG 3.35Å; S276-K280 PolarHBondContact O-N 3.21Å; I278-K280 PolarHBondContact O-N 3.29Å; K280-K284 WeakPolarHBondContact O-CB 3.31Å; K280-K284 PolarHBondContact O-N 3.49Å
281	K	51.8	Low	53.5	Low	164 Å²	164	84.6 Å²	84.6	71%	0.713	45%	0.448	S	S	*	.	H	α-helix	trans	-67.8	-42	176	-73.2	172.7	-178.1	179.2	0	112.2	G277 I278 Q279 K284 A285	G277-K281 VanDerWaalsContact O-CG 3.29Å; G277-K281 WeakPolarHBondContact O-CG 3.43Å; G277-K281 PolarHBondContact O-N 2.9Å; I278-K281 PolarHBondContact O-N 3.48Å; Q279-K281 VanDerWaalsContact C-N 3.34Å; Q279-K281 PolarHBondContact O-N 2.62Å; K281-K284 PolarHBondContact O-N 3.48Å; K281-A285 PolarHBondContact O-N 2.91Å
282	A	54.7	Low	52.6	Low	40 Å²	40	85.7 Å²	85.7	33%	0.331	46%	0.458	S	S	.	.	H	α-helix	trans	-67.2	-40.2	176.1	0	0	0	0	0	112.3	I278 Q279 A285 L286	I278-A282 WeakPolarHBondContact O-CB 3.46Å; I278-A282 PolarHBondContact O-N 2.87Å; Q279-A282 PolarHBondContact O-N 3.41Å; A282-A285 PolarHBondContact O-N 2.99Å; A282-L286 WeakPolarHBondContact O-CG 3.45Å; A282-L286 PolarHBondContact O-N 3.12Å
283	L	54.3	Low	51.4	Low	78 Å²	78	86.6 Å²	86.6	41%	0.408	48%	0.48	S	S	.	.	H	α-helix	trans	-62.3	-45.2	175.2	-161.5	85.9	0	0	0	110.9	Q279 L286 Q287	Q279-L283 WeakPolarHBondContact O-CB 3.44Å; Q279-L283 PolarHBondContact O-N 3.43Å; L283-L286 PolarHBondContact O-N 3.13Å; L283-Q287 WeakPolarHBondContact O-CG 3.05Å; L283-Q287 PolarHBondContact O-N 3.06Å
284	K	57.6	Low	50.7	Low	126 Å²	126	87.6 Å²	87.6	55%	0.548	49%	0.491	S	S	.	.	H	α-helix	trans	-59.6	-49.1	175.1	-176.4	178.9	175.6	-177.7	0	111.5	K280 K281 L286 Q287 D288	K280-K284 WeakPolarHBondContact O-CB 3.31Å; K280-K284 PolarHBondContact O-N 3.49Å; K281-K284 PolarHBondContact O-N 3.48Å; K284-L286 PolarHBondContact O-N 2.87Å; K284-Q287 WeakPolarHBondContact O-CB 3.32Å; K284-Q287 PolarHBondContact O-N 3.22Å; K284-D288 WeakPolarHBondContact CE-OD2 3.5Å; K284-D288 WeakPolarHBondContact CG-OD2 3.49Å; K284-D288 VanDerWaalsContact O-CG 3.28Å; K284-D288 PolarHBondContact O-N 2.86Å
285	A	51.5	Low	49.9	Very low	49 Å²	49	86.7 Å²	86.7	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-59.4	-34.7	178.5	0	0	0	0	0	112.9	K281 A282 M289	K281-A285 PolarHBondContact O-N 2.91Å; A282-A285 PolarHBondContact O-N 2.99Å; A285-M289 WeakPolarHBondContact O-CB 3.47Å; A285-M289 WeakPolarHBondContact O-CG 3.34Å; A285-M289 PolarHBondContact O-N 2.88Å; A285-M289 VanDerWaalsContact O-N 3.09Å
286	L	51.3	Low	48.9	Very low	42 Å²	42	89.2 Å²	89.2	22%	0.22	53%	0.525	C	S	.	.	H	α-helix	trans	-71.7	-34	173.6	-74.6	166.7	0	0	0	113	C215 A282 L283 K284 S290	C215-L286 HydrophobicContact CB-CD1 4.33Å; C215-L286 HydrophobicContact CB-CD2 3.92Å; A282-L286 WeakPolarHBondContact O-CG 3.45Å; A282-L286 PolarHBondContact O-N 3.12Å; L283-L286 PolarHBondContact O-N 3.13Å; K284-L286 PolarHBondContact O-N 2.87Å; L286-S290 VanDerWaalsContact O-CB 3.29Å; L286-S290 WeakPolarHBondContact O-CB 3.49Å; L286-S290 PolarHBondContact O-N 2.87Å; L286-S290 VanDerWaalsContact O-N 3.09Å
287	Q	54.2	Low	47.9	Very low	115 Å²	115	94 Å²	94	54%	0.537	56%	0.556	S	S	.	*	H	α-helix	trans	-71.1	-43.1	174.1	-72.3	169.9	-22.1	0	0	111.8	L283 K284 M289 S290 S291	L283-Q287 WeakPolarHBondContact O-CG 3.05Å; L283-Q287 PolarHBondContact O-N 3.06Å; K284-Q287 WeakPolarHBondContact O-CB 3.32Å; K284-Q287 PolarHBondContact O-N 3.22Å; Q287-M289 VanDerWaalsContact C-N 3.29Å; Q287-M289 PolarHBondContact O-N 3.35Å; Q287-S290 PolarHBondContact O-N 2.92Å; Q287-S291 WeakPolarHBondContact O-CB 3.41Å; Q287-S291 PolarHBondContact O-N 3.24Å; Q287-S291 VanDerWaalsContact O-N 3.15Å; Q287-S291 PolarHBondContact O-OG 3.41Å
288	D	50.4	Low	46.9	Very low	84 Å²	84	101 Å²	101	45%	0.449	58%	0.582	S	S	.	*	H	α-helix	trans	-60.8	-38.4	174.9	-65.8	-21.1	0	0	0	110.6	K284 S291	K284-D288 WeakPolarHBondContact CE-OD2 3.5Å; K284-D288 WeakPolarHBondContact CG-OD2 3.49Å; K284-D288 VanDerWaalsContact O-CG 3.28Å; K284-D288 PolarHBondContact O-N 2.86Å; D288-S291 PolarHBondContact O-OG 2.97Å
289	M	47.3	Very low	45.9	Very low	124 Å²	124	103 Å²	103	61%	0.611	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-11.4	172.8	-72.5	-145	-75.9	0	0	115.3	A285 Q287	A285-M289 WeakPolarHBondContact O-CB 3.47Å; A285-M289 WeakPolarHBondContact O-CG 3.34Å; A285-M289 PolarHBondContact O-N 2.88Å; A285-M289 VanDerWaalsContact O-N 3.09Å; Q287-M289 VanDerWaalsContact C-N 3.29Å; Q287-M289 PolarHBondContact O-N 3.35Å
290	S	45.1	Very low	44.8	Very low	104 Å²	104	105.6 Å²	105.6	73%	0.727	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-8	178.5	-171.7	0	0	0	0	113.8	L286 Q287	L286-S290 VanDerWaalsContact O-CB 3.29Å; L286-S290 WeakPolarHBondContact O-CB 3.49Å; L286-S290 PolarHBondContact O-N 2.87Å; L286-S290 VanDerWaalsContact O-N 3.09Å; Q287-S290 PolarHBondContact O-N 2.92Å
291	S	43.2	Very low	43.7	Very low	87 Å²	87	104 Å²	104	61%	0.608	63%	0.626	S	S	*	*	S	Bend	trans	-107.3	-0.6	-172	47.9	0	0	0	0	114.2	Q287 D288 A293	Q287-S291 WeakPolarHBondContact O-CB 3.41Å; Q287-S291 PolarHBondContact O-N 3.24Å; Q287-S291 VanDerWaalsContact O-N 3.15Å; Q287-S291 PolarHBondContact O-OG 3.41Å; D288-S291 PolarHBondContact O-OG 2.97Å; S291-A293 PolarHBondContact O-N 3.02Å
292	T	37.4	Very low	43	Very low	109 Å²	109	107.7 Å²	107.7	67%	0.669	64%	0.635	S	S	*	*			trans	-96	70.8	-176.1	42.8	0	0	0	0	113.3	P294	T292-P294 VanDerWaalsContact O-CD 3.28Å; T292-P294 WeakPolarHBondContact O-CD 3.05Å
293	A	35.8	Very low	42.2	Very low	94 Å²	94	113.6 Å²	113.6	78%	0.777	65%	0.654	S	S	*	*			trans	-93	100.2	157.9	0	0	0	0	0	108.8	S291	S291-A293 PolarHBondContact O-N 3.02Å
294	P	41.6	Very low	42	Very low	115 Å²	115	112.6 Å²	112.6	75%	0.747	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-76.4	134.2	-174.6	30	-34.6	0	0	0	111.7	T292	T292-P294 VanDerWaalsContact O-CD 3.28Å; T292-P294 WeakPolarHBondContact O-CD 3.05Å
295	P	34.6	Very low	41.9	Very low	120 Å²	120	112.4 Å²	112.4	78%	0.779	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-66.5	158.1	159.8	30.7	-33.7	0	0	0	110.1
296	A	35.2	Very low	42.5	Very low	90 Å²	90	113.8 Å²	113.8	74%	0.744	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-56.7	144.7	-176.8	0	0	0	0	0	112.7	Q298	A296-Q298 PolarHBondContact O-N 3.47Å; A296-Q298 VanDerWaalsContact O-N 3.11Å
297	P	37.8	Very low	43.7	Very low	131 Å²	131	113.1 Å²	113.1	85%	0.851	66%	0.656	S	S	*	*			trans	-69.5	110.5	-169.6	27.1	-35.2	0	0	0	112.6
298	Q	31.5	Very low	44.9	Very low	174 Å²	174	111.7 Å²	111.7	81%	0.813	66%	0.656	S	S	*	*			trans	-80.1	142	153.1	-69.2	-169.3	-7.7	0	0	109.3	A296 S300	A296-Q298 PolarHBondContact O-N 3.47Å; A296-Q298 VanDerWaalsContact O-N 3.11Å; Q298-S300 PolarHBondContact O-N 3.1Å
299	P	35.2	Very low	46.5	Very low	122 Å²	122	112 Å²	112	79%	0.792	66%	0.661	S	S	*	*			trans	-73.9	85.5	-175	29.7	-35.4	0	0	0	111.7	T301	P299-T301 VanDerWaalsContact C-N 3.3Å; P299-T301 PolarHBondContact O-N 2.94Å
300	S	30.7	Very low	48.4	Very low	103 Å²	103	108.7 Å²	108.7	72%	0.72	64%	0.644	S	S	*	*			trans	-72.2	80.9	178.8	65.4	0	0	0	0	111.7	Q298 R302	Q298-S300 PolarHBondContact O-N 3.1Å; S300-R302 VanDerWaalsContact C-N 3.26Å; S300-R302 PolarHBondContact O-N 3.26Å
301	T	36.7	Very low	50.5	Low	114 Å²	114	106 Å²	106	70%	0.699	63%	0.628	S	S	*	*			trans	-67.5	85	167.2	44.1	0	0	0	0	109.7	P299 K303	P299-T301 VanDerWaalsContact C-N 3.3Å; P299-T301 PolarHBondContact O-N 2.94Å; T301-K303 PolarHBondContact O-N 3.33Å
302	R	37.8	Very low	52.8	Low	240 Å²	240	102.3 Å²	102.3	91%	0.906	60%	0.601	S	S	*	*			trans	-66.7	85.1	165.1	-74.5	-170.1	178.2	-170	0.4	108.3	S300 A304	S300-R302 VanDerWaalsContact C-N 3.26Å; S300-R302 PolarHBondContact O-N 3.26Å; R302-A304 PolarHBondContact O-N 3.05Å
303	K	37.5	Very low	55.2	Low	165 Å²	165	101.8 Å²	101.8	72%	0.717	59%	0.591	S	S	*	*			trans	-59.6	132.2	173.7	-59.7	-178.5	-177.2	-178.3	0	108.4	T301	T301-K303 PolarHBondContact O-N 3.33Å
304	A	49	Very low	57.8	Low	56 Å²	56	97.6 Å²	97.6	46%	0.463	56%	0.555	S	S	.	*			trans	-58.6	165.6	161.9	0	0	0	0	0	109.9	R302 T306	R302-A304 PolarHBondContact O-N 3.05Å; A304-T306 PolarHBondContact O-N 3.42Å
305	K	55.2	Low	60.1	Low	123 Å²	123	97.4 Å²	97.4	54%	0.535	54%	0.543	S	S	.	.			trans	-48.5	100.4	167.3	-79.8	155.8	-177.9	152.4	0	109.3	I307 E491 L492 D494	K305-I307 PolarHBondContact O-N 3.15Å; K305-E491 PolarHBondContact NZ-O 2.75Å; K305-L492 PolarHBondContact NZ-O 2.81Å; K305-D494 WeakPolarHBondContact CD-OD2 3.44Å; K305-D494 WeakPolarHBondContact CE-OD1 3.34Å; K305-D494 WeakPolarHBondContact CE-OD2 3.48Å; K305-D494 VanDerWaalsContact CG-OD2 3.23Å; K305-D494 WeakPolarHBondContact CG-OD2 3.12Å; K305-D494 IonicContact NZ-OD1 3.57Å; K305-D494 PolarHBondContact NZ-OD1 2.9Å; K305-D494 IonicContact NZ-OD2 2.74Å; K305-D494 PolarHBondContact NZ-OD2 2.88Å
306	T	64.9	Low	62.4	Low	78 Å²	78	93.5 Å²	93.5	48%	0.479	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-72.9	128.4	-175.8	26.7	0	0	0	0	109.5	A304 E339	A304-T306 PolarHBondContact O-N 3.42Å; T306-E339 HydrophobicContact CG2-CG 4Å
307	I	75.6	Confident	64.2	Low	28 Å²	28	92.3 Å²	92.3	14%	0.144	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-60.8	123.1	-174.5	-62.8	174.8	0	0	0	108.8	K305 V338 L407 L410 I462	K305-I307 PolarHBondContact O-N 3.15Å; I307-V338 HydrophobicContact CD1-CG1 4.35Å; I307-V338 HydrophobicContact CG2-CG2 4.33Å; I307-L407 HydrophobicContact CG2-CD2 4.22Å; I307-L410 HydrophobicContact CD1-CD2 3.42Å; I307-L410 VanDerWaalsContact CD1-CD2 3.42Å; I307-I462 HydrophobicContact CD1-CG1 4.31Å
308	P	80	Confident	65.6	Low	84 Å²	84	88.7 Å²	88.7	55%	0.545	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-66.6	149.1	-176.9	27.5	-34.5	0	0	0	111.1	Q310	P308-Q310 PolarHBondContact O-N 3.39Å
309	V	83.7	Confident	66.6	Low	90 Å²	90	86 Å²	86	55%	0.545	47%	0.467	S	S	.	.			trans	-65.8	108.1	177.6	179.6	0	0	0	0	109.2	V336 D337	V309-V336 WeakPolarHBondContact CA-O 3.45Å; V309-D337 HydrophobicContact CG1-CB 4.19Å; V309-D337 HydrophobicContact CG2-CB 3.98Å
310	Q	88.6	Confident	67.1	Low	56 Å²	56	87.4 Å²	87.4	26%	0.262	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.4	-171.9	-177.5	58.6	38.9	0	0	112.3	P308 F312 S335 V336 L407 V458	P308-Q310 PolarHBondContact O-N 3.39Å; Q310-F312 HydrophobicContact CB-CE2 4.06Å; Q310-F312 HydrophobicContact CG-CD2 4.17Å; Q310-F312 HydrophobicContact CG-CE2 3.5Å; Q310-F312 HydrophobicContact CG-CZ 3.75Å; Q310-S335 CarbonylContact O-C 3.52Å; Q310-S335 VanDerWaalsContact O-CA 3.28Å; Q310-S335 WeakPolarHBondContact O-CA 3.3Å; Q310-V336 PolarHBondContact N-O 2.86Å; Q310-V336 PolarHBondContact O-N 2.75Å; Q310-L407 HydrophobicContact CB-CD1 3.72Å; Q310-L407 HydrophobicContact CG-CD1 4.19Å; Q310-V458 HydrophobicContact CB-CG1 4.17Å; Q310-V458 VanDerWaalsContact CD-CG2 3.5Å; Q310-V458 HydrophobicContact CG-CB 4.34Å; Q310-V458 HydrophobicContact CG-CG1 3.73Å; Q310-V458 HydrophobicContact CG-CG2 3.61Å
311	A	89.3	Confident	67.8	Low	48 Å²	48	85.2 Å²	85.2	40%	0.397	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142.2	175.8	0	0	0	0	0	113.1	T333 L334	A311-T333 HydrophobicContact CB-CG2 3.81Å; A311-L334 CarbonylContact C-O 3.58Å; A311-L334 WeakPolarHBondContact CA-O 3.14Å
312	F	90.1	Very high	68.3	Low	8 Å²	8	85.4 Å²	85.4	4%	0.035	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.4	177.1	-63.2	-97.3	0	0	0	110	Q310 T333 L334 V336 F395 K400 A403 F404 L407 V458	Q310-F312 HydrophobicContact CB-CE2 4.06Å; Q310-F312 HydrophobicContact CG-CD2 4.17Å; Q310-F312 HydrophobicContact CG-CE2 3.5Å; Q310-F312 HydrophobicContact CG-CZ 3.75Å; F312-T333 WeakPolarHBondContact O-CA 3.49Å; F312-L334 HydrophobicContact CB-CB 4.42Å; F312-L334 PolarHBondContact N-O 2.97Å; F312-L334 PolarHBondContact O-N 3.2Å; F312-V336 HydrophobicContact CE2-CG2 4.23Å; F312-F395 HydrophobicContact CB-CD1 4.44Å; F312-F395 HydrophobicContact CB-CE1 4.05Å; F312-F395 HydrophobicContact CD1-CD1 4.3Å; F312-F395 HydrophobicContact CD1-CE1 4.13Å; F312-F395 HydrophobicContact CG-CE1 4.21Å; F312-K400 HydrophobicContact CD1-CB 4.25Å; F312-K400 HydrophobicContact CE1-CB 4.39Å; F312-K400 WeakPolarHBondContact CE1-O 3.44Å; F312-A403 HydrophobicContact CE1-CB 4.1Å; F312-A403 HydrophobicContact CZ-CB 4.28Å; F312-F404 HydrophobicContact CD1-CB 4.26Å; F312-F404 HydrophobicContact CD2-CB 4.45Å; F312-F404 AromaticContact CD2-CD2 3.71Å; F312-F404 HydrophobicContact CD2-CD2 3.71Å; F312-F404 HydrophobicContact CE1-CB 4Å; F312-F404 HydrophobicContact CE2-CB 4.2Å; F312-F404 AromaticContact CE2-CD2 3.87Å; F312-F404 HydrophobicContact CE2-CD2 3.87Å; F312-F404 HydrophobicContact CG-CB 4.48Å; F312-F404 HydrophobicContact CG-CD2 4.2Å; F312-F404 HydrophobicContact CZ-CB 3.97Å; F312-F404 HydrophobicContact CZ-CD2 4.48Å; F312-L407 HydrophobicContact CE2-CD1 3.91Å; F312-L407 HydrophobicContact CZ-CD1 3.99Å; F312-V458 HydrophobicContact CZ-CG1 4.31Å
313	E	89.3	Confident	68.9	Low	99 Å²	99	78.1 Å²	78.1	46%	0.463	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.1	166.8	-75.6	-153.6	160.6	0	0	110.4	K331 V396	E313-K331 VanDerWaalsContact CD-NZ 3.29Å; E313-K331 IonicContact OE1-NZ 3.54Å; E313-K331 PolarHBondContact OE1-NZ 2.82Å; E313-K331 VanDerWaalsContact OE1-NZ 3.12Å; E313-K331 IonicContact OE2-NZ 3.35Å; E313-K331 PolarHBondContact OE2-NZ 2.83Å; E313-V396 HydrophobicContact CB-CG2 4.48Å
314	V	90.4	Very high	69.3	Low	5 Å²	5	76.1 Å²	76.1	3%	0.03	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.4	175.9	-60.7	0	0	0	0	111.6	F332 L334 F393 I394 F395	V314-F332 HydrophobicContact CG2-CB 4Å; V314-F332 PolarHBondContact N-O 2.75Å; V314-F332 PolarHBondContact O-N 3.32Å; V314-L334 HydrophobicContact CB-CD1 4.46Å; V314-L334 HydrophobicContact CG1-CD1 3.89Å; V314-L334 HydrophobicContact CG2-CD1 3.78Å; V314-L334 HydrophobicContact CG2-CG 3.94Å; V314-F393 HydrophobicContact CB-CB 4.23Å; V314-F393 HydrophobicContact CB-CD1 4.38Å; V314-F393 HydrophobicContact CG1-CB 4.45Å; V314-F393 HydrophobicContact CG2-CB 4.28Å; V314-F393 HydrophobicContact CG2-CD1 3.58Å; V314-F393 HydrophobicContact CG2-CE1 4.24Å; V314-F393 HydrophobicContact CG2-CG 4.2Å; V314-I394 WeakPolarHBondContact CA-O 3.32Å; V314-F395 HydrophobicContact CG1-CD1 3.67Å; V314-F395 HydrophobicContact CG1-CD2 4.04Å; V314-F395 HydrophobicContact CG1-CE1 3.66Å; V314-F395 HydrophobicContact CG1-CE2 4.01Å; V314-F395 HydrophobicContact CG1-CG 3.85Å; V314-F395 HydrophobicContact CG1-CZ 3.82Å
315	K	88.5	Confident	69.4	Low	111 Å²	111	82.7 Å²	82.7	48%	0.483	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.1	165.6	-62.6	171.8	-175.5	171.6	0	108.5	F393 I394	K315-F393 WeakPolarHBondContact O-CA 3.35Å; K315-I394 HydrophobicContact CB-CB 4.46Å; K315-I394 PolarHBondContact N-O 3.37Å; K315-I394 PolarHBondContact O-N 3.16Å
316	L	83.1	Confident	69.2	Low	39 Å²	39	81.2 Å²	81.2	20%	0.204	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.4	167.8	-170.8	74.8	0	0	0	108.9	V318 Q330 F332 K391 F393	L316-V318 HydrophobicContact CD2-CG2 4.03Å; L316-V318 HydrophobicContact CG-CG2 4.19Å; L316-Q330 PolarHBondContact N-O 2.93Å; L316-F332 HydrophobicContact CB-CD2 3.82Å; L316-F332 HydrophobicContact CB-CE2 3.52Å; L316-F332 HydrophobicContact CD2-CE2 3.97Å; L316-F332 HydrophobicContact CD2-CZ 4.22Å; L316-F332 HydrophobicContact CG-CE2 4.32Å; L316-K391 HydrophobicContact CD1-CB 4.02Å; L316-K391 HydrophobicContact CD1-CG 4.5Å; L316-F393 HydrophobicContact CD1-CD1 4.01Å; L316-F393 HydrophobicContact CD1-CE1 3.8Å; L316-F393 HydrophobicContact CD1-CZ 4.42Å
317	D	73.8	Confident	68.2	Low	65 Å²	65	81 Å²	81	35%	0.348	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.5	169.8	-168.1	14.5	0	0	0	108.9	K376 D392 I394	D317-K376 WeakPolarHBondContact OD2-CE 3.42Å; D317-K376 IonicContact OD2-NZ 3.32Å; D317-K376 PolarHBondContact OD2-NZ 3.06Å; D317-D392 HydrophobicContact CB-CB 3.95Å; D317-D392 PolarHBondContact N-O 2.93Å; D317-I394 HydrophobicContact CB-CD1 3.98Å; D317-I394 HydrophobicContact CB-CG1 4.21Å
318	V	65.8	Low	67.1	Low	54 Å²	54	86.6 Å²	86.6	33%	0.327	49%	0.49	S	S	.	.			trans	-123.5	112.1	-172.3	179.7	0	0	0	0	108.2	L316 D322	L316-V318 HydrophobicContact CD2-CG2 4.03Å; L316-V318 HydrophobicContact CG-CG2 4.19Å; V318-D322 HydrophobicContact CG1-CB 3.81Å
319	T	53.2	Low	65.9	Low	117 Å²	117	86.8 Å²	86.8	72%	0.718	49%	0.493	S	S	*	.			trans	-64	154.4	-179.2	29.2	0	0	0	0	112.2	G321 D322	T319-G321 PolarHBondContact O-N 3.41Å; T319-D322 PolarHBondContact O-N 2.9Å
320	L	45.7	Very low	65.3	Low	153 Å²	153	84.9 Å²	84.9	80%	0.801	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.5	-157.1	-145.6	74.3	0	0	0	117	L323	L320-L323 HydrophobicContact CD1-CD1 4.03Å
321	G	45.3	Very low	64.8	Low	57 Å²	57	87.6 Å²	87.6	59%	0.588	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-44.8	179.9	0	0	0	0	0	114.3	T319 L323 T324	T319-G321 PolarHBondContact O-N 3.41Å; G321-L323 VanDerWaalsContact C-N 3.32Å; G321-L323 PolarHBondContact O-N 3.27Å; G321-T324 PolarHBondContact O-OG1 3.37Å
322	D	47.9	Very low	64.7	Low	118 Å²	118	86.1 Å²	86.1	63%	0.631	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-80.9	-13.7	-174.3	-70.7	-30.7	0	0	0	113.3	V318 T319 T324 K325	V318-D322 HydrophobicContact CG1-CB 3.81Å; T319-D322 PolarHBondContact O-N 2.9Å; D322-T324 PolarHBondContact O-N 3.46Å; D322-T324 VanDerWaalsContact O-N 3.08Å; D322-K325 PolarHBondContact O-N 2.85Å
323	L	49.9	Very low	64.6	Low	86 Å²	86	87.3 Å²	87.3	45%	0.45	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-62.9	-15.9	-179.8	-94.6	162.9	0	0	0	113.9	L320 G321 K325	L320-L323 HydrophobicContact CD1-CD1 4.03Å; G321-L323 VanDerWaalsContact C-N 3.32Å; G321-L323 PolarHBondContact O-N 3.27Å; L323-K325 PolarHBondContact O-N 3.12Å; L323-K325 VanDerWaalsContact O-N 3.14Å
324	T	46.8	Very low	64.7	Low	124 Å²	124	82.6 Å²	82.6	76%	0.761	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-65	-10.4	176.5	56.5	0	0	0	0	114.7	G321 D322	G321-T324 PolarHBondContact O-OG1 3.37Å; D322-T324 PolarHBondContact O-N 3.46Å; D322-T324 VanDerWaalsContact O-N 3.08Å
325	K	49.7	Very low	64.7	Low	193 Å²	193	83.5 Å²	83.5	84%	0.839	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	-13.1	177	-71.3	-174.3	177.1	178.5	0	116.4	D322 L323	D322-K325 PolarHBondContact O-N 2.85Å; L323-K325 PolarHBondContact O-N 3.12Å; L323-K325 VanDerWaalsContact O-N 3.14Å
326	I	52	Low	64.8	Low	92 Å²	92	78.2 Å²	78.2	47%	0.472	44%	0.444	S	S	.	.			trans	-135.5	78.2	-173.4	-46.6	-178.8	0	0	0	111.9	K328	I326-K328 PolarHBondContact O-N 2.66Å
327	G	43.2	Very low	65.1	Low	74 Å²	74	77.3 Å²	77.3	76%	0.763	44%	0.439	S	S	*	.			trans	-73.8	37.2	-179.8	0	0	0	0	0	116.3
328	K	53	Low	65.7	Low	146 Å²	146	74.3 Å²	74.3	64%	0.635	42%	0.423	S	S	*	.	S	Bend	trans	-144.2	126	177.9	-67.6	179.6	-177.1	162.5	0	111.1	I326 Q330	I326-K328 PolarHBondContact O-N 2.66Å; K328-Q330 PolarHBondContact O-N 2.83Å
329	S	55.8	Low	66.7	Low	87 Å²	87	74.8 Å²	74.8	61%	0.608	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-59.8	121.9	172.6	-178.2	0	0	0	0	110.1
330	Q	69.4	Low	68.2	Low	50 Å²	50	70.8 Å²	70.8	23%	0.234	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-87.2	120.2	-179.5	-68.4	-177.7	65.1	0	0	109.7	L316 K328 F332	L316-Q330 PolarHBondContact N-O 2.93Å; K328-Q330 PolarHBondContact O-N 2.83Å; Q330-F332 HydrophobicContact CB-CD2 4.28Å; Q330-F332 HydrophobicContact CB-CE2 3.63Å; Q330-F332 HydrophobicContact CB-CZ 4.36Å; Q330-F332 WeakPolarHBondContact O-CD2 3.37Å
331	K	79.5	Confident	70.3	Confident	113 Å²	113	63.6 Å²	63.6	49%	0.491	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.8	166.5	-81	-161.9	173.3	-159.6	0	109.6	E313	E313-K331 VanDerWaalsContact CD-NZ 3.29Å; E313-K331 IonicContact OE1-NZ 3.54Å; E313-K331 PolarHBondContact OE1-NZ 2.82Å; E313-K331 VanDerWaalsContact OE1-NZ 3.12Å; E313-K331 IonicContact OE2-NZ 3.35Å; E313-K331 PolarHBondContact OE2-NZ 2.83Å
332	F	86	Confident	72.4	Confident	18 Å²	18	66.3 Å²	66.3	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.3	169	-69.1	-98.2	0	0	0	109.6	V314 L316 Q330 L345 L346 R347	V314-F332 HydrophobicContact CG2-CB 4Å; V314-F332 PolarHBondContact N-O 2.75Å; V314-F332 PolarHBondContact O-N 3.32Å; L316-F332 HydrophobicContact CB-CD2 3.82Å; L316-F332 HydrophobicContact CB-CE2 3.52Å; L316-F332 HydrophobicContact CD2-CE2 3.97Å; L316-F332 HydrophobicContact CD2-CZ 4.22Å; L316-F332 HydrophobicContact CG-CE2 4.32Å; Q330-F332 HydrophobicContact CB-CD2 4.28Å; Q330-F332 HydrophobicContact CB-CE2 3.63Å; Q330-F332 HydrophobicContact CB-CZ 4.36Å; Q330-F332 WeakPolarHBondContact O-CD2 3.37Å; F332-L345 HydrophobicContact CB-CD1 3.73Å; F332-L345 HydrophobicContact CD1-CD1 3.58Å; F332-L345 HydrophobicContact CD1-CD2 4.48Å; F332-L345 HydrophobicContact CD1-CG 4.02Å; F332-L345 HydrophobicContact CE1-CD1 4.45Å; F332-L345 HydrophobicContact CG-CD1 3.93Å; F332-L346 WeakPolarHBondContact CA-O 3.28Å; F332-R347 HydrophobicContact CD1-CB 3.81Å; F332-R347 HydrophobicContact CD1-CG 4.1Å; F332-R347 HydrophobicContact CE1-CB 3.58Å; F332-R347 HydrophobicContact CE1-CG 3.55Å; F332-R347 HydrophobicContact CZ-CG 4.03Å
333	T	89.3	Confident	74.5	Confident	32 Å²	32	60.7 Å²	60.7	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125	167.4	-53.9	0	0	0	0	108.7	A311 F312 L346	A311-T333 HydrophobicContact CB-CG2 3.81Å; F312-T333 WeakPolarHBondContact O-CA 3.49Å; T333-L346 PolarHBondContact N-O 2.98Å; T333-L346 PolarHBondContact O-N 3.19Å
334	L	91.1	Very high	76.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.3	171.6	-72	168.2	0	0	0	108.1	A311 F312 V314 L343 V344 L345 F393 F395 F404	A311-L334 CarbonylContact C-O 3.58Å; A311-L334 WeakPolarHBondContact CA-O 3.14Å; F312-L334 HydrophobicContact CB-CB 4.42Å; F312-L334 PolarHBondContact N-O 2.97Å; F312-L334 PolarHBondContact O-N 3.2Å; V314-L334 HydrophobicContact CB-CD1 4.46Å; V314-L334 HydrophobicContact CG1-CD1 3.89Å; V314-L334 HydrophobicContact CG2-CD1 3.78Å; V314-L334 HydrophobicContact CG2-CG 3.94Å; L334-L343 HydrophobicContact CB-CD1 4.22Å; L334-L343 HydrophobicContact CD2-CD1 4.04Å; L334-L343 HydrophobicContact CD2-CD2 4.42Å; L334-L343 HydrophobicContact CD2-CG 4.46Å; L334-V344 CarbonylContact C-O 3.59Å; L334-V344 WeakPolarHBondContact CA-O 3.47Å; L334-L345 HydrophobicContact CD2-CB 4.15Å; L334-L345 HydrophobicContact CD2-CD1 3.61Å; L334-L345 HydrophobicContact CD2-CG 4.46Å; L334-L345 HydrophobicContact CG-CD1 4.24Å; L334-F393 HydrophobicContact CD1-CB 4.46Å; L334-F393 HydrophobicContact CD1-CD1 4.25Å; L334-F393 HydrophobicContact CD1-CD2 4.06Å; L334-F393 HydrophobicContact CD1-CE1 4.48Å; L334-F393 HydrophobicContact CD1-CE2 4.3Å; L334-F393 HydrophobicContact CD1-CG 4.01Å; L334-F393 HydrophobicContact CD1-CZ 4.5Å; L334-F393 HydrophobicContact CD2-CE1 4.39Å; L334-F393 HydrophobicContact CD2-CE2 4.25Å; L334-F393 HydrophobicContact CD2-CZ 4.03Å; L334-F395 HydrophobicContact CD1-CZ 3.91Å; L334-F404 HydrophobicContact CB-CE2 3.8Å; L334-F404 HydrophobicContact CB-CZ 4.34Å; L334-F404 HydrophobicContact CD1-CE1 4.35Å; L334-F404 HydrophobicContact CD1-CE2 3.97Å; L334-F404 HydrophobicContact CD1-CZ 3.78Å; L334-F404 HydrophobicContact CD2-CZ 4.46Å; L334-F404 HydrophobicContact CG-CE2 4.38Å; L334-F404 HydrophobicContact CG-CZ 4.44Å
335	S	90.4	Very high	78.4	Confident	25 Å²	25	52.9 Å²	52.9	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.1	178.7	-60.2	0	0	0	0	110.8	Q310 L343 V344	Q310-S335 CarbonylContact O-C 3.52Å; Q310-S335 VanDerWaalsContact O-CA 3.28Å; Q310-S335 WeakPolarHBondContact O-CA 3.3Å; S335-L343 WeakPolarHBondContact O-CA 3.36Å; S335-V344 PolarHBondContact N-O 3.05Å; S335-V344 PolarHBondContact O-N 3.47Å
336	V	90.8	Very high	80.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.5	179.5	-169.5	0	0	0	0	110.1	V309 Q310 F312 V338 L343 F404 L407 L408 M411	V309-V336 WeakPolarHBondContact CA-O 3.45Å; Q310-V336 PolarHBondContact N-O 2.86Å; Q310-V336 PolarHBondContact O-N 2.75Å; F312-V336 HydrophobicContact CE2-CG2 4.23Å; V336-V338 HydrophobicContact CG1-CG2 4.03Å; V336-L343 HydrophobicContact CG2-CD1 4.13Å; V336-F404 HydrophobicContact CG2-CD2 3.62Å; V336-F404 HydrophobicContact CG2-CE2 3.52Å; V336-L407 HydrophobicContact CB-CB 4.35Å; V336-L407 HydrophobicContact CB-CD1 4.24Å; V336-L407 HydrophobicContact CG1-CB 4.02Å; V336-L407 HydrophobicContact CG2-CB 4.43Å; V336-L407 HydrophobicContact CG2-CD1 4.47Å; V336-L408 HydrophobicContact CG1-CD2 3.89Å; V336-L408 HydrophobicContact CG2-CD2 4.01Å; V336-L408 HydrophobicContact CG2-CG 4.48Å; V336-M411 HydrophobicContact CG1-SD 4.11Å
337	D	89.3	Confident	81.5	Confident	20 Å²	20	44.3 Å²	44.3	11%	0.107	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	87.5	174.3	169.3	23.2	0	0	0	108.4	V309 E339 G340 G341 R342	V309-D337 HydrophobicContact CG1-CB 4.19Å; V309-D337 HydrophobicContact CG2-CB 3.98Å; D337-E339 VanDerWaalsContact C-N 3.29Å; D337-E339 PolarHBondContact O-N 2.83Å; D337-G340 PolarHBondContact OD1-N 3.29Å; D337-G340 WeakPolarHBondContact OD2-CA 3.35Å; D337-G341 PolarHBondContact O-N 2.99Å; D337-R342 HydrophobicContact CB-CB 4.25Å; D337-R342 WeakPolarHBondContact CB-O 3.34Å; D337-R342 PolarHBondContact N-O 2.91Å; D337-R342 PolarHBondContact O-N 3.16Å; D337-R342 IonicContact OD2-CZ 3.19Å; D337-R342 IonicContact OD2-NE 2.87Å; D337-R342 PolarHBondContact OD2-NE 3.25Å; D337-R342 IonicContact OD2-NH2 2.67Å; D337-R342 PolarHBondContact OD2-NH2 2.88Å
338	V	85.9	Confident	82.5	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-37.5	-178.5	178.6	0	0	0	0	111.4	I307 V336 L407 L410 M411 K414 H415	I307-V338 HydrophobicContact CD1-CG1 4.35Å; I307-V338 HydrophobicContact CG2-CG2 4.33Å; V336-V338 HydrophobicContact CG1-CG2 4.03Å; V338-L407 HydrophobicContact CG2-CB 4.35Å; V338-L407 HydrophobicContact CG2-CD2 3.86Å; V338-L410 HydrophobicContact CG1-CD2 4.12Å; V338-L410 HydrophobicContact CG1-CG 3.96Å; V338-M411 HydrophobicContact CG1-CB 4.44Å; V338-M411 HydrophobicContact CG2-CB 4.39Å; V338-K414 HydrophobicContact CG1-CD 4.34Å; V338-H415 PolarHBondContact O-NE2 2.77Å
339	E	86.4	Confident	82.9	Confident	64 Å²	64	46.5 Å²	46.5	30%	0.299	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-44	-178.7	-63.4	-56.8	126	0	0	112	T306 D337 K414 H415	T306-E339 HydrophobicContact CG2-CG 4Å; D337-E339 VanDerWaalsContact C-N 3.29Å; D337-E339 PolarHBondContact O-N 2.83Å; E339-K414 IonicContact OE1-NZ 2.83Å; E339-K414 PolarHBondContact OE1-NZ 3.12Å; E339-K414 IonicContact OE2-NZ 3.92Å; E339-K414 PolarHBondContact OE2-NZ 3.09Å; E339-H415 PolarHBondContact O-CE1 2.83Å; E339-H415 PolarHBondContact O-NE2 3.38Å
340	G	85.6	Confident	82.8	Confident	33 Å²	33	52.1 Å²	52.1	34%	0.34	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.9	177.7	0	0	0	0	0	115.5	D337	D337-G340 PolarHBondContact OD1-N 3.29Å; D337-G340 WeakPolarHBondContact OD2-CA 3.35Å
341	G	88	Confident	81.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.01	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	31.8	175.5	0	0	0	0	0	114.2	D337 T360 H361 M411 H415	D337-G341 PolarHBondContact O-N 2.99Å; G341-T360 WeakPolarHBondContact O-CA 2.88Å; G341-H361 PolarHBondContact O-N 2.91Å; G341-M411 VanDerWaalsContact C-SD 3.53Å; G341-H415 WeakPolarHBondContact CA-NE2 3.44Å; G341-H415 PolarHBondContact N-CE1 3.08Å; G341-H415 PolarHBondContact N-NE2 3.31Å
342	R	91.3	Very high	80.6	Confident	115 Å²	115	56 Å²	56	43%	0.434	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.7	-167.4	-66.9	172.3	-62.2	-159.5	2.1	113.5	D337 T358 F359 T360 M411	D337-R342 HydrophobicContact CB-CB 4.25Å; D337-R342 WeakPolarHBondContact CB-O 3.34Å; D337-R342 PolarHBondContact N-O 2.91Å; D337-R342 PolarHBondContact O-N 3.16Å; D337-R342 IonicContact OD2-CZ 3.19Å; D337-R342 IonicContact OD2-NE 2.87Å; D337-R342 PolarHBondContact OD2-NE 3.25Å; D337-R342 IonicContact OD2-NH2 2.67Å; D337-R342 PolarHBondContact OD2-NH2 2.88Å; R342-T358 HydrophobicContact CB-CG2 4.1Å; R342-T358 HydrophobicContact CG-CG2 4.14Å; R342-F359 CarbonylContact C-O 3.55Å; R342-F359 WeakPolarHBondContact CA-O 3.27Å; R342-T360 HydrophobicContact CG-CG2 4.29Å; R342-M411 PolarHBondContact N-SD 3.27Å
343	L	91.2	Very high	79	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.7	165.2	172.5	58.6	0	0	0	109.2	L334 S335 V336 F359 I364 F381 F404 L408	L334-L343 HydrophobicContact CB-CD1 4.22Å; L334-L343 HydrophobicContact CD2-CD1 4.04Å; L334-L343 HydrophobicContact CD2-CD2 4.42Å; L334-L343 HydrophobicContact CD2-CG 4.46Å; S335-L343 WeakPolarHBondContact O-CA 3.36Å; V336-L343 HydrophobicContact CG2-CD1 4.13Å; L343-F359 PolarHBondContact N-O 3.44Å; L343-F359 PolarHBondContact O-N 2.87Å; L343-I364 HydrophobicContact CB-CD1 3.98Å; L343-I364 HydrophobicContact CD2-CD1 3.83Å; L343-F381 HydrophobicContact CD2-CE1 4Å; L343-F381 HydrophobicContact CD2-CZ 4.1Å; L343-F404 HydrophobicContact CD1-CE2 3.77Å; L343-F404 HydrophobicContact CD1-CZ 3.99Å; L343-F404 HydrophobicContact CD2-CZ 3.92Å; L343-L408 HydrophobicContact CB-CD2 4.3Å; L343-L408 HydrophobicContact CD2-CD1 4.38Å; L343-L408 HydrophobicContact CD2-CD2 4.18Å
344	V	89.6	Confident	77.7	Confident	41 Å²	41	63.4 Å²	63.4	25%	0.248	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.5	175.5	-174.4	0	0	0	0	109.6	L334 S335 W356 T358	L334-V344 CarbonylContact C-O 3.59Å; L334-V344 WeakPolarHBondContact CA-O 3.47Å; S335-V344 PolarHBondContact N-O 3.05Å; S335-V344 PolarHBondContact O-N 3.47Å; V344-W356 HydrophobicContact CG1-CB 4.26Å; V344-T358 HydrophobicContact CG2-CG2 4.16Å
345	L	88.6	Confident	76.8	Confident	5 Å²	5	66 Å²	66	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107.4	171.1	172.1	69.2	0	0	0	108.9	F332 L334 W356 T357 F359 K391 F393	F332-L345 HydrophobicContact CB-CD1 3.73Å; F332-L345 HydrophobicContact CD1-CD1 3.58Å; F332-L345 HydrophobicContact CD1-CD2 4.48Å; F332-L345 HydrophobicContact CD1-CG 4.02Å; F332-L345 HydrophobicContact CE1-CD1 4.45Å; F332-L345 HydrophobicContact CG-CD1 3.93Å; L334-L345 HydrophobicContact CD2-CB 4.15Å; L334-L345 HydrophobicContact CD2-CD1 3.61Å; L334-L345 HydrophobicContact CD2-CG 4.46Å; L334-L345 HydrophobicContact CG-CD1 4.24Å; L345-W356 WeakPolarHBondContact O-CA 3.46Å; L345-T357 PolarHBondContact N-O 3.06Å; L345-T357 PolarHBondContact O-N 2.8Å; L345-T357 PolarHBondContact O-OG1 3.39Å; L345-F359 HydrophobicContact CB-CE2 4.35Å; L345-K391 HydrophobicContact CD2-CD 4.04Å; L345-K391 VanDerWaalsContact CD2-NZ 3.28Å; L345-F393 HydrophobicContact CD1-CE1 3.78Å; L345-F393 HydrophobicContact CD1-CZ 3.92Å; L345-F393 HydrophobicContact CD2-CZ 4.17Å
346	L	85.4	Confident	76.1	Confident	39 Å²	39	73.2 Å²	73.2	20%	0.204	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131	177.6	-178.5	68.1	0	0	0	110.9	F332 T333 E354 W356	F332-L346 WeakPolarHBondContact CA-O 3.28Å; T333-L346 PolarHBondContact N-O 2.98Å; T333-L346 PolarHBondContact O-N 3.19Å; L346-E354 HydrophobicContact CD1-CB 3.99Å; L346-W356 HydrophobicContact CD1-CB 4.02Å
347	R	80.8	Confident	75.8	Confident	66 Å²	66	76.1 Å²	76.1	25%	0.249	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.6	176.9	-175.5	179.6	178	-121.8	-4.9	110.3	F332 Q349 D355	F332-R347 HydrophobicContact CD1-CB 3.81Å; F332-R347 HydrophobicContact CD1-CG 4.1Å; F332-R347 HydrophobicContact CE1-CB 3.58Å; F332-R347 HydrophobicContact CE1-CG 3.55Å; F332-R347 HydrophobicContact CZ-CG 4.03Å; R347-Q349 PolarHBondContact O-N 3.36Å; R347-D355 HydrophobicContact CB-CB 4.22Å; R347-D355 WeakPolarHBondContact CB-O 3.21Å; R347-D355 IonicContact CZ-OD2 3.95Å; R347-D355 PolarHBondContact N-O 3.1Å; R347-D355 IonicContact NH1-OD2 3.84Å; R347-D355 PolarHBondContact NH1-OD2 2.76Å; R347-D355 PolarHBondContact O-N 3.4Å
348	R	64.8	Low	75.7	Confident	182 Å²	182	78.4 Å²	78.4	69%	0.687	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	95.5	-178.1	-141.5	171.9	-166.2	-169	-2.6	110.7	E354	R348-E354 IonicContact NE-OE1 3.62Å; R348-E354 PolarHBondContact NE-OE1 2.87Å
349	Q	62.8	Low	75.7	Confident	83 Å²	83	79.5 Å²	79.5	39%	0.388	38%	0.381	S	S	.	.			trans	-76.7	167.7	169.4	-73.7	-156.8	-130.3	0	0	111.4	R347	R347-Q349 PolarHBondContact O-N 3.36Å
350	R	52.8	Low	75.7	Confident	205 Å²	205	78.7 Å²	78.7	77%	0.774	38%	0.38	S	S	*	.	S	Bend	trans	-80.8	-21.1	-176.5	-165.3	174.6	-66.6	-143.4	-5.7	112.9
351	D	49.3	Very low	75.6	Confident	117 Å²	117	79.1 Å²	79.1	63%	0.626	37%	0.373	S	S	*	.	S	Bend	trans	-117.9	59.4	-164.4	-45	-66.7	0	0	0	110.4	Q353	D351-Q353 PolarHBondContact O-N 3.01Å
352	S	52.8	Low	75.4	Confident	127 Å²	127	83 Å²	83	89%	0.888	39%	0.394	S	S	*	.	S	Bend	trans	53.6	-10.5	171.4	53.3	0	0	0	0	120.6
353	Q	52.1	Low	75.1	Confident	126 Å²	126	83.6 Å²	83.6	59%	0.589	40%	0.396	S	S	*	.			trans	-87.5	121.7	172.1	-171.3	178.7	-48.2	0	0	110.9	D351 D355	D351-Q353 PolarHBondContact O-N 3.01Å; Q353-D355 PolarHBondContact NE2-OD1 2.86Å
354	E	62.4	Low	74.9	Confident	81 Å²	81	83.7 Å²	83.7	38%	0.379	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109.1	174.8	-65.8	-163.3	151.2	0	0	110.4	L346 R348 W356	L346-E354 HydrophobicContact CD1-CB 3.99Å; R348-E354 IonicContact NE-OE1 3.62Å; R348-E354 PolarHBondContact NE-OE1 2.87Å; E354-W356 VanDerWaalsContact O-CE3 3.22Å; E354-W356 PolarHBondContact O-N 3.14Å
355	D	72.3	Confident	74.5	Confident	55 Å²	55	86.3 Å²	86.3	29%	0.294	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	115.1	173.7	-53.5	-39.7	0	0	0	109.1	R347 Q353	R347-D355 HydrophobicContact CB-CB 4.22Å; R347-D355 WeakPolarHBondContact CB-O 3.21Å; R347-D355 IonicContact CZ-OD2 3.95Å; R347-D355 PolarHBondContact N-O 3.1Å; R347-D355 IonicContact NH1-OD2 3.84Å; R347-D355 PolarHBondContact NH1-OD2 2.76Å; R347-D355 PolarHBondContact O-N 3.4Å; Q353-D355 PolarHBondContact NE2-OD1 2.86Å
356	W	75.7	Confident	74.3	Confident	175 Å²	175	89.1 Å²	89.1	66%	0.663	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	141	170	60.4	81.1	0	0	0	112.1	V344 L345 L346 E354	V344-W356 HydrophobicContact CG1-CB 4.26Å; L345-W356 WeakPolarHBondContact O-CA 3.46Å; L346-W356 HydrophobicContact CD1-CB 4.02Å; E354-W356 VanDerWaalsContact O-CE3 3.22Å; E354-W356 PolarHBondContact O-N 3.14Å
357	T	84.7	Confident	74.4	Confident	62 Å²	62	87.2 Å²	87.2	38%	0.38	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.1	174.8	49.4	0	0	0	0	110.1	L345	L345-T357 PolarHBondContact N-O 3.06Å; L345-T357 PolarHBondContact O-N 2.8Å; L345-T357 PolarHBondContact O-OG1 3.39Å
358	T	86.4	Confident	74.8	Confident	67 Å²	67	84.7 Å²	84.7	41%	0.411	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.7	-177	-53.9	0	0	0	0	110.7	R342 V344	R342-T358 HydrophobicContact CB-CG2 4.1Å; R342-T358 HydrophobicContact CG-CG2 4.14Å; V344-T358 HydrophobicContact CG2-CG2 4.16Å
359	F	86.8	Confident	75.9	Confident	25 Å²	25	77.2 Å²	77.2	11%	0.11	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.4	174	-58.4	-89.2	0	0	0	108.4	R342 L343 L345 F381	R342-F359 CarbonylContact C-O 3.55Å; R342-F359 WeakPolarHBondContact CA-O 3.27Å; L343-F359 PolarHBondContact N-O 3.44Å; L343-F359 PolarHBondContact O-N 2.87Å; L345-F359 HydrophobicContact CB-CE2 4.35Å; F359-F381 HydrophobicContact CB-CD1 3.99Å; F359-F381 HydrophobicContact CB-CE1 3.92Å; F359-F381 HydrophobicContact CD1-CB 4.08Å; F359-F381 AromaticContact CD1-CD1 3.25Å; F359-F381 HydrophobicContact CD1-CD1 3.25Å; F359-F381 AromaticContact CD1-CE1 3.82Å; F359-F381 HydrophobicContact CD1-CE1 3.82Å; F359-F381 AromaticContact CD1-CG 3.83Å; F359-F381 HydrophobicContact CD1-CG 3.83Å; F359-F381 AromaticContact CD2-CD1 3.97Å; F359-F381 HydrophobicContact CD2-CD1 3.97Å; F359-F381 AromaticContact CD2-CE1 3.64Å; F359-F381 HydrophobicContact CD2-CE1 3.64Å; F359-F381 HydrophobicContact CD2-CZ 4.2Å; F359-F381 HydrophobicContact CE1-CB 3.88Å; F359-F381 AromaticContact CE1-CD1 3.64Å; F359-F381 HydrophobicContact CE1-CD1 3.64Å; F359-F381 HydrophobicContact CE1-CD2 4.47Å; F359-F381 HydrophobicContact CE1-CE1 4.26Å; F359-F381 AromaticContact CE1-CG 3.74Å; F359-F381 HydrophobicContact CE1-CG 3.74Å; F359-F381 HydrophobicContact CE2-CD1 4.32Å; F359-F381 HydrophobicContact CE2-CE1 4.12Å; F359-F381 HydrophobicContact CE2-CZ 4.34Å; F359-F381 AromaticContact CG-CD1 3.44Å; F359-F381 HydrophobicContact CG-CD1 3.44Å; F359-F381 VanDerWaalsContact CG-CD1 3.44Å; F359-F381 AromaticContact CG-CE1 3.49Å; F359-F381 HydrophobicContact CG-CE1 3.49Å; F359-F381 VanDerWaalsContact CG-CE1 3.49Å; F359-F381 HydrophobicContact CG-CG 4.36Å; F359-F381 HydrophobicContact CG-CZ 4.45Å; F359-F381 HydrophobicContact CZ-CD1 4.17Å; F359-F381 HydrophobicContact CZ-CE1 4.41Å; F359-F381 HydrophobicContact CZ-CG 4.22Å
360	T	87.4	Confident	77	Confident	47 Å²	47	74 Å²	74	29%	0.288	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	158.3	170.6	46	0	0	0	0	110	G341 R342 D362 R363	G341-T360 WeakPolarHBondContact O-CA 2.88Å; R342-T360 HydrophobicContact CG-CG2 4.29Å; T360-D362 WeakPolarHBondContact CB-OD1 3.35Å; T360-D362 PolarHBondContact O-N 2.72Å; T360-D362 VanDerWaalsContact O-N 3.14Å; T360-D362 PolarHBondContact OG1-OD1 3.43Å; T360-R363 WeakPolarHBondContact O-CB 3.47Å; T360-R363 PolarHBondContact O-N 2.9Å
361	H	83.2	Confident	78.3	Confident	42 Å²	42	69.8 Å²	69.8	19%	0.194	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-52	-36.3	-174.4	73.1	-77.9	0	0	0	114.3	G341 R363 I364 M411 H415	G341-H361 PolarHBondContact O-N 2.91Å; H361-R363 VanDerWaalsContact C-N 3.27Å; H361-R363 PolarHBondContact O-N 2.85Å; H361-I364 PolarHBondContact O-N 2.71Å; H361-M411 HydrophobicContact CB-CE 3.88Å; H361-M411 HydrophobicContact CB-CG 4.39Å; H361-H415 WeakPolarHBondContact ND1-CB 3.42Å; H361-H415 PolarHBondContact NE2-O 2.81Å
362	D	82.4	Confident	80	Confident	84 Å²	84	72.8 Å²	72.8	45%	0.449	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-61.7	-31.1	176.5	57.1	-63.9	0	0	0	113	T360 I364	T360-D362 WeakPolarHBondContact CB-OD1 3.35Å; T360-D362 PolarHBondContact O-N 2.72Å; T360-D362 VanDerWaalsContact O-N 3.14Å; T360-D362 PolarHBondContact OG1-OD1 3.43Å; D362-I364 VanDerWaalsContact C-N 3.3Å; D362-I364 PolarHBondContact O-N 2.89Å
363	R	86.6	Confident	81.5	Confident	126 Å²	126	69.4 Å²	69.4	48%	0.475	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-84	0	-177.7	-58	-175.1	-178.7	-165.6	-4.6	113.7	T360 H361 F381 E382	T360-R363 WeakPolarHBondContact O-CB 3.47Å; T360-R363 PolarHBondContact O-N 2.9Å; H361-R363 VanDerWaalsContact C-N 3.27Å; H361-R363 PolarHBondContact O-N 2.85Å; R363-F381 CarbonylContact O-C 3.55Å; R363-F381 VanDerWaalsContact O-CA 3.32Å; R363-F381 WeakPolarHBondContact O-CA 3.24Å; R363-E382 PolarHBondContact O-N 2.94Å
364	I	86.5	Confident	83	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	94	178.4	-40.2	-179	0	0	0	108.7	L343 H361 D362 L367 V379 F381 L408 M411 W888	L343-I364 HydrophobicContact CB-CD1 3.98Å; L343-I364 HydrophobicContact CD2-CD1 3.83Å; H361-I364 PolarHBondContact O-N 2.71Å; D362-I364 VanDerWaalsContact C-N 3.3Å; D362-I364 PolarHBondContact O-N 2.89Å; I364-L367 HydrophobicContact CG2-CD2 4.32Å; I364-V379 HydrophobicContact CG2-CG1 3.73Å; I364-F381 HydrophobicContact CG1-CD1 4.39Å; I364-F381 HydrophobicContact CG1-CE1 4.29Å; I364-L408 HydrophobicContact CD1-CD1 4.43Å; I364-L408 HydrophobicContact CD1-CD2 4.04Å; I364-M411 HydrophobicContact CD1-CE 3.81Å; I364-W888 HydrophobicContact CB-CZ3 4.25Å; I364-W888 HydrophobicContact CG2-CZ3 3.78Å
365	R	81.6	Confident	84.3	Confident	96 Å²	96	66.7 Å²	66.7	36%	0.362	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-38.5	-172.4	-70.2	-61.7	-165.6	125.6	8.8	113.2	V380 E382 E883 W888	R365-V380 PolarHBondContact N-O 3.47Å; R365-E382 HydrophobicContact CG-CB 4.09Å; R365-E382 IonicContact CZ-OE2 2.83Å; R365-E382 IonicContact NE-OE2 3.25Å; R365-E382 PolarHBondContact NE-OE2 3.21Å; R365-E382 VanDerWaalsContact NH2-CD 3.27Å; R365-E382 IonicContact NH2-OE1 2.78Å; R365-E382 PolarHBondContact NH2-OE1 2.95Å; R365-E382 VanDerWaalsContact NH2-OE1 3.1Å; R365-E382 IonicContact NH2-OE2 3.13Å; R365-E382 PolarHBondContact NH2-OE2 2.92Å; R365-E883 IonicContact NH1-OE1 3.76Å; R365-W888 WeakPolarHBondContact O-CB 3.49Å
366	Q	83.8	Confident	85.2	Confident	64 Å²	64	65.5 Å²	65.5	30%	0.299	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	146.1	-177.7	-151.6	-178	20.7	0	0	113	I368 V380 W888 S890	Q366-I368 HydrophobicContact CG-CG1 4.24Å; Q366-V380 HydrophobicContact CB-CB 3.87Å; Q366-V380 HydrophobicContact CB-CG2 3.92Å; Q366-V380 PolarHBondContact N-O 2.85Å; Q366-V380 PolarHBondContact O-N 2.94Å; Q366-W888 CarbonylContact C-O 3.57Å; Q366-W888 VanDerWaalsContact CA-O 3.29Å; Q366-W888 WeakPolarHBondContact CA-O 3.43Å; Q366-W888 WeakPolarHBondContact CG-O 3.34Å; Q366-S890 PolarHBondContact NE2-OG 3.43Å
367	L	88.2	Confident	86	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137	159.8	-52.4	-176.7	0	0	0	108.9	I364 L377 G378 V379 C405 L408 W888 I889 S890	I364-L367 HydrophobicContact CG2-CD2 4.32Å; L367-L377 HydrophobicContact CB-CD1 4.2Å; L367-L377 HydrophobicContact CD2-CD2 4.4Å; L367-G378 CarbonylContact C-O 3.6Å; L367-G378 WeakPolarHBondContact CA-O 3.32Å; L367-V379 HydrophobicContact CD2-CB 4.37Å; L367-V379 HydrophobicContact CD2-CG1 3.96Å; L367-V379 HydrophobicContact CD2-CG2 3.91Å; L367-C405 HydrophobicContact CD1-CB 4.23Å; L367-L408 HydrophobicContact CD1-CD1 4.28Å; L367-L408 HydrophobicContact CD2-CD1 3.92Å; L367-W888 HydrophobicContact CD1-CH2 3.65Å; L367-W888 HydrophobicContact CD1-CZ2 4.07Å; L367-W888 HydrophobicContact CD1-CZ3 4.05Å; L367-W888 HydrophobicContact CD2-CH2 4.2Å; L367-W888 HydrophobicContact CD2-CZ3 3.89Å; L367-W888 HydrophobicContact CG-CE3 4.05Å; L367-W888 HydrophobicContact CG-CH2 3.71Å; L367-W888 HydrophobicContact CG-CZ2 4.37Å; L367-W888 HydrophobicContact CG-CZ3 3.55Å; L367-W888 PolarHBondContact N-O 2.64Å; L367-I889 HydrophobicContact CB-CG1 4.2Å; L367-I889 HydrophobicContact CD1-CD1 3.95Å; L367-I889 HydrophobicContact CD1-CG1 4.14Å; L367-I889 HydrophobicContact CG-CG1 4.39Å; L367-I889 WeakPolarHBondContact O-CA 3.49Å; L367-S890 PolarHBondContact O-N 2.92Å; L367-S890 PolarHBondContact O-OG 3.43Å
368	I	87.8	Confident	86.2	Confident	13 Å²	13	54.2 Å²	54.2	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	99.6	-177.7	-50.5	177.9	0	0	0	107.7	Q366 L377 G378 V380 S890 D892	Q366-I368 HydrophobicContact CG-CG1 4.24Å; I368-L377 WeakPolarHBondContact O-CA 3.32Å; I368-G378 PolarHBondContact N-O 3.34Å; I368-G378 PolarHBondContact O-N 2.87Å; I368-V380 HydrophobicContact CD1-CG2 3.81Å; I368-V380 HydrophobicContact CG1-CG2 4.37Å; I368-S890 CarbonylContact C-O 3.55Å; I368-S890 WeakPolarHBondContact CA-O 3.41Å; I368-D892 HydrophobicContact CG2-CB 3.9Å
369	K	88.4	Confident	86.3	Confident	25 Å²	25	51 Å²	51	11%	0.109	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	127.1	177.4	-65.4	-179.4	177.9	-172.1	0	109.1	Q371 L377 E402 I889 S890 I891 D892	K369-Q371 PolarHBondContact O-N 2.82Å; K369-L377 HydrophobicContact CB-CD1 4.47Å; K369-L377 HydrophobicContact CG-CD1 3.75Å; K369-E402 WeakPolarHBondContact CE-OE1 3.43Å; K369-E402 WeakPolarHBondContact CE-OE2 3.27Å; K369-E402 IonicContact NZ-OE1 2.67Å; K369-E402 PolarHBondContact NZ-OE1 3.49Å; K369-E402 IonicContact NZ-OE2 3.06Å; K369-E402 PolarHBondContact NZ-OE2 2.92Å; K369-I889 HydrophobicContact CD-CG2 4.08Å; K369-I889 HydrophobicContact CG-CG2 4.27Å; K369-S890 PolarHBondContact N-O 3.14Å; K369-I891 HydrophobicContact CB-CG1 4.43Å; K369-I891 WeakPolarHBondContact O-CA 3.46Å; K369-D892 PolarHBondContact O-N 3.01Å
370	S	85.4	Confident	86.4	Confident	16 Å²	16	50.6 Å²	50.6	11%	0.112	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123.4	176.1	-172.4	0	0	0	0	110.8	V373 K376	S370-V373 PolarHBondContact OG-N 2.89Å; S370-K376 PolarHBondContact N-O 3.35Å
371	Q	80.8	Confident	86.3	Confident	115 Å²	115	48.4 Å²	48.4	54%	0.537	22%	0.219	S	C	.	.	S	Bend	trans	-66.9	-39.1	175.3	-167.8	174	5.9	0	0	111.9	K369 Q374 I891	K369-Q371 PolarHBondContact O-N 2.82Å; Q371-Q374 PolarHBondContact O-NE2 3.27Å; Q371-I891 HydrophobicContact CB-CG2 3.86Å; Q371-I891 HydrophobicContact CG-CG2 4.45Å
372	R	84.3	Confident	86.3	Confident	180 Å²	180	49 Å²	49	68%	0.679	22%	0.222	S	C	*	.	S	Bend	trans	-74.4	-29.4	-179.3	-64.2	-177	177.4	-160.7	-4.7	114	D894	R372-D894 IonicContact CZ-OD1 3.58Å; R372-D894 IonicContact CZ-OD2 2.75Å; R372-D894 VanDerWaalsContact CZ-OD2 3.27Å; R372-D894 VanDerWaalsContact NE-CG 3.29Å; R372-D894 IonicContact NE-OD1 3.87Å; R372-D894 PolarHBondContact NE-OD1 2.81Å; R372-D894 IonicContact NE-OD2 3.58Å; R372-D894 PolarHBondContact NE-OD2 2.83Å; R372-D894 IonicContact NH2-OD1 3.38Å; R372-D894 PolarHBondContact NH2-OD1 2.97Å; R372-D894 IonicContact NH2-OD2 2.83Å; R372-D894 PolarHBondContact NH2-OD2 2.85Å
373	V	85.5	Confident	85.8	Confident	57 Å²	57	51.3 Å²	51.3	35%	0.345	23%	0.228	S	C	.	.			trans	-129.9	91.6	-173.9	-177	0	0	0	0	108.8	S370 N375 K376	S370-V373 PolarHBondContact OG-N 2.89Å; V373-N375 VanDerWaalsContact CG1-OD1 3.3Å; V373-N375 WeakPolarHBondContact CG1-OD1 3.48Å; V373-N375 PolarHBondContact O-N 3.23Å; V373-K376 HydrophobicContact CB-CB 3.81Å; V373-K376 HydrophobicContact CB-CD 4.48Å; V373-K376 HydrophobicContact CG1-CB 3.62Å; V373-K376 WeakPolarHBondContact O-CB 3.37Å; V373-K376 PolarHBondContact O-N 3.03Å
374	Q	83.8	Confident	84.8	Confident	103 Å²	103	53.1 Å²	53.1	48%	0.481	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.8	-168.5	-70.9	-66.6	-10.5	0	0	115.4	Q371 A398 R401	Q371-Q374 PolarHBondContact O-NE2 3.27Å; Q374-A398 HydrophobicContact CB-CB 4.03Å; Q374-A398 WeakPolarHBondContact O-CA 3.41Å; Q374-A398 VanDerWaalsContact O-CB 3.24Å; Q374-A398 WeakPolarHBondContact O-CB 3.24Å; Q374-R401 WeakPolarHBondContact O-CD 3.43Å; Q374-R401 PolarHBondContact O-NE 3.01Å; Q374-R401 PolarHBondContact O-NH1 2.77Å
375	N	89.4	Confident	83.3	Confident	47 Å²	47	62.3 Å²	62.3	25%	0.251	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	7.6	172.5	63.8	-31	0	0	0	113.9	V373 I394 F395	V373-N375 VanDerWaalsContact CG1-OD1 3.3Å; V373-N375 WeakPolarHBondContact CG1-OD1 3.48Å; V373-N375 PolarHBondContact O-N 3.23Å; N375-I394 VanDerWaalsContact ND2-CG2 3.35Å; N375-I394 WeakPolarHBondContact ND2-CG2 3.44Å; N375-F395 PolarHBondContact ND2-O 3.1Å; N375-F395 PolarHBondContact O-N 3.28Å
376	K	91	Very high	82.1	Confident	29 Å²	29	65 Å²	65	13%	0.126	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.9	179.6	-180	177	171.7	169.9	0	112.2	D317 S370 V373 D392 F393 I394	D317-K376 WeakPolarHBondContact OD2-CE 3.42Å; D317-K376 IonicContact OD2-NZ 3.32Å; D317-K376 PolarHBondContact OD2-NZ 3.06Å; S370-K376 PolarHBondContact N-O 3.35Å; V373-K376 HydrophobicContact CB-CB 3.81Å; V373-K376 HydrophobicContact CB-CD 4.48Å; V373-K376 HydrophobicContact CG1-CB 3.62Å; V373-K376 WeakPolarHBondContact O-CB 3.37Å; V373-K376 PolarHBondContact O-N 3.03Å; K376-D392 VanDerWaalsContact CE-CG 3.47Å; K376-D392 WeakPolarHBondContact CE-OD2 3.41Å; K376-D392 IonicContact NZ-OD2 2.83Å; K376-D392 PolarHBondContact NZ-OD2 3.44Å; K376-F393 CarbonylContact C-O 3.59Å; K376-F393 WeakPolarHBondContact CA-O 3.41Å; K376-I394 HydrophobicContact CB-CG1 4.37Å; K376-I394 HydrophobicContact CG-CG1 4.33Å
377	L	91.4	Very high	81.3	Confident	0 Å²	0	71 Å²	71	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	118.5	179	-166.7	70.9	0	0	0	110.2	L367 I368 K369 V379 F393 F395 R401 F404	L367-L377 HydrophobicContact CB-CD1 4.2Å; L367-L377 HydrophobicContact CD2-CD2 4.4Å; I368-L377 WeakPolarHBondContact O-CA 3.32Å; K369-L377 HydrophobicContact CB-CD1 4.47Å; K369-L377 HydrophobicContact CG-CD1 3.75Å; L377-V379 HydrophobicContact CD2-CG2 4.08Å; L377-V379 HydrophobicContact CG-CG2 4.26Å; L377-F393 PolarHBondContact N-O 2.86Å; L377-F393 PolarHBondContact O-N 2.94Å; L377-F395 HydrophobicContact CB-CD2 4.39Å; L377-F395 HydrophobicContact CB-CE2 3.89Å; L377-F395 HydrophobicContact CD2-CE2 4.06Å; L377-F395 HydrophobicContact CD2-CZ 4.38Å; L377-R401 HydrophobicContact CB-CG 4.26Å; L377-R401 HydrophobicContact CD1-CG 4.3Å; L377-F404 HydrophobicContact CD2-CD1 3.67Å; L377-F404 HydrophobicContact CD2-CE1 3.86Å
378	G	89.5	Confident	80.9	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.4	163	0	0	0	0	0	109.9	L367 I368 D392	L367-G378 CarbonylContact C-O 3.6Å; L367-G378 WeakPolarHBondContact CA-O 3.32Å; I368-G378 PolarHBondContact N-O 3.34Å; I368-G378 PolarHBondContact O-N 2.87Å; G378-D392 WeakPolarHBondContact CA-OD1 3.48Å
379	V	89.6	Confident	80.8	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121	173.1	-175.1	0	0	0	0	108.4	I364 L367 L377 F381 R390 K391 F393 F404	I364-V379 HydrophobicContact CG2-CG1 3.73Å; L367-V379 HydrophobicContact CD2-CB 4.37Å; L367-V379 HydrophobicContact CD2-CG1 3.96Å; L367-V379 HydrophobicContact CD2-CG2 3.91Å; L377-V379 HydrophobicContact CD2-CG2 4.08Å; L377-V379 HydrophobicContact CG-CG2 4.26Å; V379-F381 HydrophobicContact CB-CE2 3.81Å; V379-F381 HydrophobicContact CB-CZ 4Å; V379-F381 HydrophobicContact CG1-CD1 4.36Å; V379-F381 HydrophobicContact CG1-CD2 4.17Å; V379-F381 HydrophobicContact CG1-CE1 3.79Å; V379-F381 HydrophobicContact CG1-CE2 3.55Å; V379-F381 HydrophobicContact CG1-CZ 3.35Å; V379-R390 CarbonylContact O-C 3.58Å; V379-R390 WeakPolarHBondContact O-CA 3.26Å; V379-K391 PolarHBondContact N-O 2.86Å; V379-K391 PolarHBondContact O-N 3.24Å; V379-F393 HydrophobicContact CB-CD2 4.31Å; V379-F393 HydrophobicContact CB-CE2 4.13Å; V379-F393 HydrophobicContact CG2-CD2 3.82Å; V379-F393 HydrophobicContact CG2-CE2 4.06Å; V379-F404 HydrophobicContact CG2-CE1 4.42Å
380	V	87.2	Confident	80.6	Confident	15 Å²	15	83 Å²	83	9%	0.091	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.2	-178.8	-174.1	0	0	0	0	109.1	R365 Q366 I368 T388 R390	R365-V380 PolarHBondContact N-O 3.47Å; Q366-V380 HydrophobicContact CB-CB 3.87Å; Q366-V380 HydrophobicContact CB-CG2 3.92Å; Q366-V380 PolarHBondContact N-O 2.85Å; Q366-V380 PolarHBondContact O-N 2.94Å; I368-V380 HydrophobicContact CD1-CG2 3.81Å; I368-V380 HydrophobicContact CG1-CG2 4.37Å; V380-T388 HydrophobicContact CG1-CG2 4.01Å; V380-R390 HydrophobicContact CG2-CB 4.24Å; V380-R390 HydrophobicContact CG2-CG 4.32Å
381	F	86.3	Confident	80.7	Confident	2 Å²	2	83.8 Å²	83.8	1%	0.009	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144.8	177	-61.6	-79.2	0	0	0	111.3	L343 F359 R363 I364 V379 T388 Q389 K391 F393	L343-F381 HydrophobicContact CD2-CE1 4Å; L343-F381 HydrophobicContact CD2-CZ 4.1Å; F359-F381 HydrophobicContact CB-CD1 3.99Å; F359-F381 HydrophobicContact CB-CE1 3.92Å; F359-F381 HydrophobicContact CD1-CB 4.08Å; F359-F381 AromaticContact CD1-CD1 3.25Å; F359-F381 HydrophobicContact CD1-CD1 3.25Å; F359-F381 AromaticContact CD1-CE1 3.82Å; F359-F381 HydrophobicContact CD1-CE1 3.82Å; F359-F381 AromaticContact CD1-CG 3.83Å; F359-F381 HydrophobicContact CD1-CG 3.83Å; F359-F381 AromaticContact CD2-CD1 3.97Å; F359-F381 HydrophobicContact CD2-CD1 3.97Å; F359-F381 AromaticContact CD2-CE1 3.64Å; F359-F381 HydrophobicContact CD2-CE1 3.64Å; F359-F381 HydrophobicContact CD2-CZ 4.2Å; F359-F381 HydrophobicContact CE1-CB 3.88Å; F359-F381 AromaticContact CE1-CD1 3.64Å; F359-F381 HydrophobicContact CE1-CD1 3.64Å; F359-F381 HydrophobicContact CE1-CD2 4.47Å; F359-F381 HydrophobicContact CE1-CE1 4.26Å; F359-F381 AromaticContact CE1-CG 3.74Å; F359-F381 HydrophobicContact CE1-CG 3.74Å; F359-F381 HydrophobicContact CE2-CD1 4.32Å; F359-F381 HydrophobicContact CE2-CE1 4.12Å; F359-F381 HydrophobicContact CE2-CZ 4.34Å; F359-F381 AromaticContact CG-CD1 3.44Å; F359-F381 HydrophobicContact CG-CD1 3.44Å; F359-F381 VanDerWaalsContact CG-CD1 3.44Å; F359-F381 AromaticContact CG-CE1 3.49Å; F359-F381 HydrophobicContact CG-CE1 3.49Å; F359-F381 VanDerWaalsContact CG-CE1 3.49Å; F359-F381 HydrophobicContact CG-CG 4.36Å; F359-F381 HydrophobicContact CG-CZ 4.45Å; F359-F381 HydrophobicContact CZ-CD1 4.17Å; F359-F381 HydrophobicContact CZ-CE1 4.41Å; F359-F381 HydrophobicContact CZ-CG 4.22Å; R363-F381 CarbonylContact O-C 3.55Å; R363-F381 VanDerWaalsContact O-CA 3.32Å; R363-F381 WeakPolarHBondContact O-CA 3.24Å; I364-F381 HydrophobicContact CG1-CD1 4.39Å; I364-F381 HydrophobicContact CG1-CE1 4.29Å; V379-F381 HydrophobicContact CB-CE2 3.81Å; V379-F381 HydrophobicContact CB-CZ 4Å; V379-F381 HydrophobicContact CG1-CD1 4.36Å; V379-F381 HydrophobicContact CG1-CD2 4.17Å; V379-F381 HydrophobicContact CG1-CE1 3.79Å; V379-F381 HydrophobicContact CG1-CE2 3.55Å; V379-F381 HydrophobicContact CG1-CZ 3.35Å; F381-T388 CarbonylContact O-C 3.58Å; F381-T388 WeakPolarHBondContact O-CA 3.38Å; F381-Q389 PolarHBondContact N-O 3.29Å; F381-Q389 PolarHBondContact O-N 3.03Å; F381-K391 HydrophobicContact CD2-CD 4.19Å; F381-K391 HydrophobicContact CD2-CG 4.34Å; F381-K391 HydrophobicContact CE2-CB 4.23Å; F381-K391 HydrophobicContact CE2-CD 3.92Å; F381-K391 HydrophobicContact CE2-CG 4.28Å; F381-F393 HydrophobicContact CE2-CE2 4.18Å; F381-F393 HydrophobicContact CZ-CE2 4.47Å
382	E	82.6	Confident	81.1	Confident	54 Å²	54	79.5 Å²	79.5	25%	0.252	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130.3	167.3	-175.7	164.2	-165.7	0	0	111	R363 R365	R363-E382 PolarHBondContact O-N 2.94Å; R365-E382 HydrophobicContact CG-CB 4.09Å; R365-E382 IonicContact CZ-OE2 2.83Å; R365-E382 IonicContact NE-OE2 3.25Å; R365-E382 PolarHBondContact NE-OE2 3.21Å; R365-E382 VanDerWaalsContact NH2-CD 3.27Å; R365-E382 IonicContact NH2-OE1 2.78Å; R365-E382 PolarHBondContact NH2-OE1 2.95Å; R365-E382 VanDerWaalsContact NH2-OE1 3.1Å; R365-E382 IonicContact NH2-OE2 3.13Å; R365-E382 PolarHBondContact NH2-OE2 2.92Å
383	K	72.7	Confident	81.4	Confident	133 Å²	133	71 Å²	71	58%	0.578	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	174.7	162.8	-152.7	177	177.7	-179.6	0	108.1	K385 R387	K383-K385 PolarHBondContact O-N 3.17Å; K383-R387 CarbonylContact C-O 3.57Å; K383-R387 WeakPolarHBondContact CA-O 3.44Å; K383-R387 HydrophobicContact CB-CB 4.45Å; K383-R387 WeakPolarHBondContact CB-O 3.39Å; K383-R387 PolarHBondContact N-O 3.39Å
384	E	66.1	Low	81.6	Confident	164 Å²	164	70.4 Å²	70.4	77%	0.766	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	127.2	-173.1	-59.7	165.8	139.3	0	0	113.6
385	K	54.1	Low	82	Confident	195 Å²	195	65.7 Å²	65.7	85%	0.848	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	84.6	173.9	-69.7	-172.5	171.1	-176.3	0	114.2	K383 R387	K383-K385 PolarHBondContact O-N 3.17Å; K385-R387 PolarHBondContact O-N 2.86Å; K385-R387 VanDerWaalsContact O-N 3.07Å
386	D	56.2	Low	82	Confident	151 Å²	151	68.7 Å²	68.7	81%	0.807	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	12.9	172.6	-57.6	-41.8	0	0	0	116.2
387	R	67.4	Low	81.9	Confident	190 Å²	190	69.4 Å²	69.4	72%	0.717	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	101.5	173.5	-72.5	-176.3	168	-175.8	-3.7	110.8	K383 K385	K383-R387 CarbonylContact C-O 3.57Å; K383-R387 WeakPolarHBondContact CA-O 3.44Å; K383-R387 HydrophobicContact CB-CB 4.45Å; K383-R387 WeakPolarHBondContact CB-O 3.39Å; K383-R387 PolarHBondContact N-O 3.39Å; K385-R387 PolarHBondContact O-N 2.86Å; K385-R387 VanDerWaalsContact O-N 3.07Å
388	T	80.3	Confident	81.6	Confident	99 Å²	99	71.1 Å²	71.1	61%	0.607	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	154	174.1	55	0	0	0	0	112.7	V380 F381	V380-T388 HydrophobicContact CG1-CG2 4.01Å; F381-T388 CarbonylContact O-C 3.58Å; F381-T388 WeakPolarHBondContact O-CA 3.38Å
389	Q	83.9	Confident	81.2	Confident	89 Å²	89	76.5 Å²	76.5	42%	0.416	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	106.7	171.2	175.3	171.6	75.5	0	0	109.6	F381 K391	F381-Q389 PolarHBondContact N-O 3.29Å; F381-Q389 PolarHBondContact O-N 3.03Å; Q389-K391 HydrophobicContact CG-CG 4.29Å
390	R	85.8	Confident	81.1	Confident	102 Å²	102	80.4 Å²	80.4	39%	0.385	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	132.4	166.6	-176.5	170.3	166.4	163.6	-4.9	109.4	V379 V380 D392 D892	V379-R390 CarbonylContact O-C 3.58Å; V379-R390 WeakPolarHBondContact O-CA 3.26Å; V380-R390 HydrophobicContact CG2-CB 4.24Å; V380-R390 HydrophobicContact CG2-CG 4.32Å; R390-D392 WeakPolarHBondContact CG-OD1 3.41Å; R390-D392 IonicContact CZ-OD1 2.8Å; R390-D392 IonicContact CZ-OD2 2.7Å; R390-D392 IonicContact NE-OD1 3.16Å; R390-D392 PolarHBondContact NE-OD1 2.74Å; R390-D392 IonicContact NE-OD2 2.76Å; R390-D392 IonicContact NH2-OD1 2.72Å; R390-D392 PolarHBondContact NH2-OD1 2.77Å; R390-D392 IonicContact NH2-OD2 3.68Å; R390-D392 PolarHBondContact NH2-OD2 2.87Å; R390-D892 IonicContact CZ-OD2 3.8Å; R390-D892 IonicContact NH1-OD1 3.87Å; R390-D892 IonicContact NH1-OD2 2.66Å; R390-D892 PolarHBondContact NH1-OD2 3.02Å; R390-D892 IonicContact NH2-OD2 2.66Å; R390-D892 PolarHBondContact NH2-OD2 2.81Å
391	K	87.4	Confident	81.2	Confident	34 Å²	34	80.6 Å²	80.6	15%	0.148	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	166.4	-67.8	-178.6	-173.9	165.6	0	108.4	L316 L345 V379 F381 Q389 F393	L316-K391 HydrophobicContact CD1-CB 4.02Å; L316-K391 HydrophobicContact CD1-CG 4.5Å; L345-K391 HydrophobicContact CD2-CD 4.04Å; L345-K391 VanDerWaalsContact CD2-NZ 3.28Å; V379-K391 PolarHBondContact N-O 2.86Å; V379-K391 PolarHBondContact O-N 3.24Å; F381-K391 HydrophobicContact CD2-CD 4.19Å; F381-K391 HydrophobicContact CD2-CG 4.34Å; F381-K391 HydrophobicContact CE2-CB 4.23Å; F381-K391 HydrophobicContact CE2-CD 3.92Å; F381-K391 HydrophobicContact CE2-CG 4.28Å; Q389-K391 HydrophobicContact CG-CG 4.29Å; K391-F393 HydrophobicContact CB-CD2 4.38Å; K391-F393 HydrophobicContact CB-CE1 4.48Å; K391-F393 HydrophobicContact CB-CE2 3.67Å; K391-F393 HydrophobicContact CB-CZ 3.74Å; K391-F393 HydrophobicContact CD-CE2 4.45Å; K391-F393 HydrophobicContact CD-CZ 3.87Å; K391-F393 HydrophobicContact CG-CZ 4.46Å
392	D	88.9	Confident	81.1	Confident	25 Å²	25	82.4 Å²	82.4	13%	0.134	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.4	179.8	-83.8	15	0	0	0	109.8	D317 K376 G378 R390	D317-D392 HydrophobicContact CB-CB 3.95Å; D317-D392 PolarHBondContact N-O 2.93Å; K376-D392 VanDerWaalsContact CE-CG 3.47Å; K376-D392 WeakPolarHBondContact CE-OD2 3.41Å; K376-D392 IonicContact NZ-OD2 2.83Å; K376-D392 PolarHBondContact NZ-OD2 3.44Å; G378-D392 WeakPolarHBondContact CA-OD1 3.48Å; R390-D392 WeakPolarHBondContact CG-OD1 3.41Å; R390-D392 IonicContact CZ-OD1 2.8Å; R390-D392 IonicContact CZ-OD2 2.7Å; R390-D392 IonicContact NE-OD1 3.16Å; R390-D392 PolarHBondContact NE-OD1 2.74Å; R390-D392 IonicContact NE-OD2 2.76Å; R390-D392 IonicContact NH2-OD1 2.72Å; R390-D392 PolarHBondContact NH2-OD1 2.77Å; R390-D392 IonicContact NH2-OD2 3.68Å; R390-D392 PolarHBondContact NH2-OD2 2.87Å
393	F	90.9	Very high	81.3	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.5	-179.6	-61.6	-72.9	0	0	0	111.3	V314 K315 L316 L334 L345 K376 L377 V379 F381 K391 F395	V314-F393 HydrophobicContact CB-CB 4.23Å; V314-F393 HydrophobicContact CB-CD1 4.38Å; V314-F393 HydrophobicContact CG1-CB 4.45Å; V314-F393 HydrophobicContact CG2-CB 4.28Å; V314-F393 HydrophobicContact CG2-CD1 3.58Å; V314-F393 HydrophobicContact CG2-CE1 4.24Å; V314-F393 HydrophobicContact CG2-CG 4.2Å; K315-F393 WeakPolarHBondContact O-CA 3.35Å; L316-F393 HydrophobicContact CD1-CD1 4.01Å; L316-F393 HydrophobicContact CD1-CE1 3.8Å; L316-F393 HydrophobicContact CD1-CZ 4.42Å; L334-F393 HydrophobicContact CD1-CB 4.46Å; L334-F393 HydrophobicContact CD1-CD1 4.25Å; L334-F393 HydrophobicContact CD1-CD2 4.06Å; L334-F393 HydrophobicContact CD1-CE1 4.48Å; L334-F393 HydrophobicContact CD1-CE2 4.3Å; L334-F393 HydrophobicContact CD1-CG 4.01Å; L334-F393 HydrophobicContact CD1-CZ 4.5Å; L334-F393 HydrophobicContact CD2-CE1 4.39Å; L334-F393 HydrophobicContact CD2-CE2 4.25Å; L334-F393 HydrophobicContact CD2-CZ 4.03Å; L345-F393 HydrophobicContact CD1-CE1 3.78Å; L345-F393 HydrophobicContact CD1-CZ 3.92Å; L345-F393 HydrophobicContact CD2-CZ 4.17Å; K376-F393 CarbonylContact C-O 3.59Å; K376-F393 WeakPolarHBondContact CA-O 3.41Å; L377-F393 PolarHBondContact N-O 2.86Å; L377-F393 PolarHBondContact O-N 2.94Å; V379-F393 HydrophobicContact CB-CD2 4.31Å; V379-F393 HydrophobicContact CB-CE2 4.13Å; V379-F393 HydrophobicContact CG2-CD2 3.82Å; V379-F393 HydrophobicContact CG2-CE2 4.06Å; F381-F393 HydrophobicContact CE2-CE2 4.18Å; F381-F393 HydrophobicContact CZ-CE2 4.47Å; K391-F393 HydrophobicContact CB-CD2 4.38Å; K391-F393 HydrophobicContact CB-CE1 4.48Å; K391-F393 HydrophobicContact CB-CE2 3.67Å; K391-F393 HydrophobicContact CB-CZ 3.74Å; K391-F393 HydrophobicContact CD-CE2 4.45Å; K391-F393 HydrophobicContact CD-CZ 3.87Å; K391-F393 HydrophobicContact CG-CZ 4.46Å; F393-F395 HydrophobicContact CB-CE2 4.03Å
394	I	89.6	Confident	82.1	Confident	45 Å²	45	73.6 Å²	73.6	23%	0.231	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.2	173.4	-57.3	174.3	0	0	0	108.2	V314 K315 D317 N375 K376	V314-I394 WeakPolarHBondContact CA-O 3.32Å; K315-I394 HydrophobicContact CB-CB 4.46Å; K315-I394 PolarHBondContact N-O 3.37Å; K315-I394 PolarHBondContact O-N 3.16Å; D317-I394 HydrophobicContact CB-CD1 3.98Å; D317-I394 HydrophobicContact CB-CG1 4.21Å; N375-I394 VanDerWaalsContact ND2-CG2 3.35Å; N375-I394 WeakPolarHBondContact ND2-CG2 3.44Å; K376-I394 HydrophobicContact CB-CG1 4.37Å; K376-I394 HydrophobicContact CG-CG1 4.33Å
395	F	91.6	Very high	83.1	Confident	5 Å²	5	65.8 Å²	65.8	2%	0.022	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	162.8	178.5	-72.7	-103.4	0	0	0	111.7	F312 V314 L334 N375 L377 F393 S397 R401 F404	F312-F395 HydrophobicContact CB-CD1 4.44Å; F312-F395 HydrophobicContact CB-CE1 4.05Å; F312-F395 HydrophobicContact CD1-CD1 4.3Å; F312-F395 HydrophobicContact CD1-CE1 4.13Å; F312-F395 HydrophobicContact CG-CE1 4.21Å; V314-F395 HydrophobicContact CG1-CD1 3.67Å; V314-F395 HydrophobicContact CG1-CD2 4.04Å; V314-F395 HydrophobicContact CG1-CE1 3.66Å; V314-F395 HydrophobicContact CG1-CE2 4.01Å; V314-F395 HydrophobicContact CG1-CG 3.85Å; V314-F395 HydrophobicContact CG1-CZ 3.82Å; L334-F395 HydrophobicContact CD1-CZ 3.91Å; N375-F395 PolarHBondContact ND2-O 3.1Å; N375-F395 PolarHBondContact O-N 3.28Å; L377-F395 HydrophobicContact CB-CD2 4.39Å; L377-F395 HydrophobicContact CB-CE2 3.89Å; L377-F395 HydrophobicContact CD2-CE2 4.06Å; L377-F395 HydrophobicContact CD2-CZ 4.38Å; F393-F395 HydrophobicContact CB-CE2 4.03Å; F395-S397 PolarHBondContact O-N 2.93Å; F395-R401 HydrophobicContact CB-CB 4.27Å; F395-R401 HydrophobicContact CD2-CB 4.11Å; F395-R401 HydrophobicContact CD2-CG 4.46Å; F395-R401 HydrophobicContact CG-CB 4.07Å; F395-F404 HydrophobicContact CE1-CB 3.57Å; F395-F404 HydrophobicContact CE1-CD1 4.04Å; F395-F404 HydrophobicContact CE1-CD2 4.13Å; F395-F404 AromaticContact CE1-CG 3.65Å; F395-F404 HydrophobicContact CE1-CG 3.65Å; F395-F404 HydrophobicContact CE2-CD1 4.36Å; F395-F404 HydrophobicContact CZ-CB 3.87Å; F395-F404 AromaticContact CZ-CD1 3.44Å; F395-F404 HydrophobicContact CZ-CD1 3.44Å; F395-F404 VanDerWaalsContact CZ-CD1 3.44Å; F395-F404 HydrophobicContact CZ-CD2 4.17Å; F395-F404 AromaticContact CZ-CE1 3.93Å; F395-F404 HydrophobicContact CZ-CE1 3.93Å; F395-F404 AromaticContact CZ-CG 3.55Å; F395-F404 HydrophobicContact CZ-CG 3.55Å; F395-F404 HydrophobicContact CZ-CZ 4.48Å
396	V	89.4	Confident	84.5	Confident	109 Å²	109	57.9 Å²	57.9	66%	0.661	28%	0.283	S	S	*	.	S	Bend	trans	-61.4	-32.9	174.9	-176.2	0	0	0	0	111.9	E313	E313-V396 HydrophobicContact CB-CG2 4.48Å
397	S	88.6	Confident	86	Confident	44 Å²	44	50.8 Å²	50.8	31%	0.308	24%	0.244	S	C	.	.			trans	-152.6	163.4	176.3	69.6	0	0	0	0	111.9	F395 R399 K400 R401	F395-S397 PolarHBondContact O-N 2.93Å; S397-R399 VanDerWaalsContact C-N 3.27Å; S397-R399 PolarHBondContact O-N 3.17Å; S397-K400 PolarHBondContact O-N 3.23Å; S397-K400 PolarHBondContact OG-N 3.03Å; S397-R401 PolarHBondContact O-N 3.49Å; S397-R401 VanDerWaalsContact O-N 3.07Å
398	A	85	Confident	86.9	Confident	36 Å²	36	41.7 Å²	41.7	30%	0.298	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-33.9	172.4	0	0	0	0	0	112.4	Q374 R401 E402	Q374-A398 HydrophobicContact CB-CB 4.03Å; Q374-A398 WeakPolarHBondContact O-CA 3.41Å; Q374-A398 VanDerWaalsContact O-CB 3.24Å; Q374-A398 WeakPolarHBondContact O-CB 3.24Å; A398-R401 WeakPolarHBondContact O-CB 3.36Å; A398-R401 PolarHBondContact O-N 3.33Å; A398-E402 PolarHBondContact O-N 3.34Å
399	R	81.9	Confident	86.9	Confident	115 Å²	115	37.3 Å²	37.3	43%	0.434	18%	0.183	S	C	.	.	H	α-helix	trans	-60.4	-46.9	173.9	-164.2	-172.7	-168.9	139.2	-9	111.6	S397 R401 E402 A403 T454 L455 D456	S397-R399 VanDerWaalsContact C-N 3.27Å; S397-R399 PolarHBondContact O-N 3.17Å; R399-R401 VanDerWaalsContact C-N 3.34Å; R399-R401 PolarHBondContact O-N 3.48Å; R399-E402 PolarHBondContact O-N 3.02Å; R399-E402 VanDerWaalsContact O-N 3.16Å; R399-A403 PolarHBondContact O-N 2.88Å; R399-T454 VanDerWaalsContact CZ-O 3.27Å; R399-T454 PolarHBondContact NE-O 3.28Å; R399-T454 PolarHBondContact NH1-OG1 3.1Å; R399-T454 VanDerWaalsContact NH2-CB 3.32Å; R399-T454 PolarHBondContact NH2-O 2.93Å; R399-T454 VanDerWaalsContact NH2-O 3.11Å; R399-T454 PolarHBondContact NH2-OG1 2.88Å; R399-L455 PolarHBondContact NH2-O 2.89Å; R399-D456 WeakPolarHBondContact CD-OD2 3.29Å; R399-D456 HydrophobicContact CG-CB 4.19Å; R399-D456 WeakPolarHBondContact CG-OD2 3.45Å; R399-D456 IonicContact NE-OD2 3.26Å
400	K	86.8	Confident	86.7	Confident	82 Å²	82	35.3 Å²	35.3	36%	0.357	18%	0.175	S	C	.	.	H	α-helix	trans	-70.9	-26.7	177.1	-68.8	-160.9	174.3	-163.2	0	113.5	F312 S397 F404	F312-K400 HydrophobicContact CD1-CB 4.25Å; F312-K400 HydrophobicContact CE1-CB 4.39Å; F312-K400 WeakPolarHBondContact CE1-O 3.44Å; S397-K400 PolarHBondContact O-N 3.23Å; S397-K400 PolarHBondContact OG-N 3.03Å; K400-F404 WeakPolarHBondContact O-CB 3.27Å; K400-F404 PolarHBondContact O-N 2.66Å; K400-F404 VanDerWaalsContact O-N 3.16Å
401	R	89.5	Confident	86.6	Confident	19 Å²	19	30.6 Å²	30.6	7%	0.072	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-49.4	165.7	173.2	-153.3	68.6	-173.2	-6.3	110.6	Q374 L377 F395 S397 A398 R399 F404 C405	Q374-R401 WeakPolarHBondContact O-CD 3.43Å; Q374-R401 PolarHBondContact O-NE 3.01Å; Q374-R401 PolarHBondContact O-NH1 2.77Å; L377-R401 HydrophobicContact CB-CG 4.26Å; L377-R401 HydrophobicContact CD1-CG 4.3Å; F395-R401 HydrophobicContact CB-CB 4.27Å; F395-R401 HydrophobicContact CD2-CB 4.11Å; F395-R401 HydrophobicContact CD2-CG 4.46Å; F395-R401 HydrophobicContact CG-CB 4.07Å; S397-R401 PolarHBondContact O-N 3.49Å; S397-R401 VanDerWaalsContact O-N 3.07Å; A398-R401 WeakPolarHBondContact O-CB 3.36Å; A398-R401 PolarHBondContact O-N 3.33Å; R399-R401 VanDerWaalsContact C-N 3.34Å; R399-R401 PolarHBondContact O-N 3.48Å; R401-F404 WeakPolarHBondContact O-CB 3.36Å; R401-F404 PolarHBondContact O-N 3.44Å; R401-C405 PolarHBondContact O-N 3.2Å; R401-C405 PolarHBondContact O-SG 3.24Å
402	E	85.5	Confident	86.3	Confident	39 Å²	39	30.5 Å²	30.5	18%	0.182	16%	0.156	C	C	.	.	H	α-helix	trans	-66.2	-41.9	179.9	-68.8	-55.6	157.7	0	0	113	K369 A398 R399 F404 C405 Q406	K369-E402 WeakPolarHBondContact CE-OE1 3.43Å; K369-E402 WeakPolarHBondContact CE-OE2 3.27Å; K369-E402 IonicContact NZ-OE1 2.67Å; K369-E402 PolarHBondContact NZ-OE1 3.49Å; K369-E402 IonicContact NZ-OE2 3.06Å; K369-E402 PolarHBondContact NZ-OE2 2.92Å; A398-E402 PolarHBondContact O-N 3.34Å; R399-E402 PolarHBondContact O-N 3.02Å; R399-E402 VanDerWaalsContact O-N 3.16Å; E402-F404 PolarHBondContact O-N 3.24Å; E402-C405 WeakPolarHBondContact O-CB 3.19Å; E402-C405 PolarHBondContact O-N 2.9Å; E402-C405 VanDerWaalsContact O-N 3.08Å; E402-Q406 WeakPolarHBondContact O-CG 3.24Å; E402-Q406 PolarHBondContact O-N 2.82Å
403	A	85.6	Confident	85.7	Confident	2 Å²	2	31.6 Å²	31.6	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-38	174.3	0	0	0	0	0	112.5	F312 R399 L407 D456 V458 T459	F312-A403 HydrophobicContact CE1-CB 4.1Å; F312-A403 HydrophobicContact CZ-CB 4.28Å; R399-A403 PolarHBondContact O-N 2.88Å; A403-L407 WeakPolarHBondContact O-CG 3.43Å; A403-L407 PolarHBondContact O-N 3.18Å; A403-L407 VanDerWaalsContact O-N 3.08Å; A403-D456 HydrophobicContact CB-CB 3.81Å; A403-V458 HydrophobicContact CB-CB 4.43Å; A403-T459 HydrophobicContact CB-CG2 3.79Å
404	F	89.3	Confident	85.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-42.4	173.4	179.2	-98.1	0	0	0	112.8	F312 L334 V336 L343 L377 V379 F395 K400 R401 E402 L408	F312-F404 HydrophobicContact CD1-CB 4.26Å; F312-F404 HydrophobicContact CD2-CB 4.45Å; F312-F404 AromaticContact CD2-CD2 3.71Å; F312-F404 HydrophobicContact CD2-CD2 3.71Å; F312-F404 HydrophobicContact CE1-CB 4Å; F312-F404 HydrophobicContact CE2-CB 4.2Å; F312-F404 AromaticContact CE2-CD2 3.87Å; F312-F404 HydrophobicContact CE2-CD2 3.87Å; F312-F404 HydrophobicContact CG-CB 4.48Å; F312-F404 HydrophobicContact CG-CD2 4.2Å; F312-F404 HydrophobicContact CZ-CB 3.97Å; F312-F404 HydrophobicContact CZ-CD2 4.48Å; L334-F404 HydrophobicContact CB-CE2 3.8Å; L334-F404 HydrophobicContact CB-CZ 4.34Å; L334-F404 HydrophobicContact CD1-CE1 4.35Å; L334-F404 HydrophobicContact CD1-CE2 3.97Å; L334-F404 HydrophobicContact CD1-CZ 3.78Å; L334-F404 HydrophobicContact CD2-CZ 4.46Å; L334-F404 HydrophobicContact CG-CE2 4.38Å; L334-F404 HydrophobicContact CG-CZ 4.44Å; V336-F404 HydrophobicContact CG2-CD2 3.62Å; V336-F404 HydrophobicContact CG2-CE2 3.52Å; L343-F404 HydrophobicContact CD1-CE2 3.77Å; L343-F404 HydrophobicContact CD1-CZ 3.99Å; L343-F404 HydrophobicContact CD2-CZ 3.92Å; L377-F404 HydrophobicContact CD2-CD1 3.67Å; L377-F404 HydrophobicContact CD2-CE1 3.86Å; V379-F404 HydrophobicContact CG2-CE1 4.42Å; F395-F404 HydrophobicContact CE1-CB 3.57Å; F395-F404 HydrophobicContact CE1-CD1 4.04Å; F395-F404 HydrophobicContact CE1-CD2 4.13Å; F395-F404 AromaticContact CE1-CG 3.65Å; F395-F404 HydrophobicContact CE1-CG 3.65Å; F395-F404 HydrophobicContact CE2-CD1 4.36Å; F395-F404 HydrophobicContact CZ-CB 3.87Å; F395-F404 AromaticContact CZ-CD1 3.44Å; F395-F404 HydrophobicContact CZ-CD1 3.44Å; F395-F404 VanDerWaalsContact CZ-CD1 3.44Å; F395-F404 HydrophobicContact CZ-CD2 4.17Å; F395-F404 AromaticContact CZ-CE1 3.93Å; F395-F404 HydrophobicContact CZ-CE1 3.93Å; F395-F404 AromaticContact CZ-CG 3.55Å; F395-F404 HydrophobicContact CZ-CG 3.55Å; F395-F404 HydrophobicContact CZ-CZ 4.48Å; K400-F404 WeakPolarHBondContact O-CB 3.27Å; K400-F404 PolarHBondContact O-N 2.66Å; K400-F404 VanDerWaalsContact O-N 3.16Å; R401-F404 WeakPolarHBondContact O-CB 3.36Å; R401-F404 PolarHBondContact O-N 3.44Å; E402-F404 PolarHBondContact O-N 3.24Å; F404-L408 HydrophobicContact CD1-CD1 4.02Å; F404-L408 HydrophobicContact CD1-CG 4.47Å; F404-L408 HydrophobicContact CE1-CD1 3.35Å; F404-L408 HydrophobicContact CE1-CG 4.13Å; F404-L408 HydrophobicContact CE2-CD1 4.28Å; F404-L408 HydrophobicContact CE2-CG 4.36Å; F404-L408 HydrophobicContact CZ-CD1 3.51Å; F404-L408 HydrophobicContact CZ-CD2 4.41Å; F404-L408 HydrophobicContact CZ-CG 4.06Å; F404-L408 WeakPolarHBondContact O-CG 3.36Å; F404-L408 PolarHBondContact O-N 3.22Å
405	C	87.3	Confident	84.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-52.3	173.6	-64.8	0	0	0	0	111.2	L367 R401 E402 L407 L408 Q409 I889	L367-C405 HydrophobicContact CD1-CB 4.23Å; R401-C405 PolarHBondContact O-N 3.2Å; R401-C405 PolarHBondContact O-SG 3.24Å; E402-C405 WeakPolarHBondContact O-CB 3.19Å; E402-C405 PolarHBondContact O-N 2.9Å; E402-C405 VanDerWaalsContact O-N 3.08Å; C405-L407 PolarHBondContact O-N 3.07Å; C405-L408 PolarHBondContact O-N 3.44Å; C405-L408 VanDerWaalsContact O-N 3.08Å; C405-Q409 WeakPolarHBondContact O-CG 3.35Å; C405-Q409 PolarHBondContact O-N 3.17Å; C405-Q409 PolarHBondContact O-OE1 3.09Å; C405-I889 HydrophobicContact CB-CD1 4.49Å
406	Q	83.8	Confident	83.7	Confident	30 Å²	30	38.4 Å²	38.4	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-41.2	-178.4	-70.8	174.7	5.6	0	0	111.9	E402 Q409 L410 T459 N705	E402-Q406 WeakPolarHBondContact O-CG 3.24Å; E402-Q406 PolarHBondContact O-N 2.82Å; Q406-Q409 PolarHBondContact O-N 3.35Å; Q406-L410 WeakPolarHBondContact O-CB 3.34Å; Q406-L410 PolarHBondContact O-N 2.82Å; Q406-T459 HydrophobicContact CB-CG2 4.13Å; Q406-T459 VanDerWaalsContact OE1-CG2 3.25Å; Q406-N705 PolarHBondContact NE2-OD1 2.7Å
407	L	86.8	Confident	82.7	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-39.5	173.4	-75.5	-177.9	0	0	0	113	I307 Q310 F312 V336 V338 A403 C405 M411 V458 I462	I307-L407 HydrophobicContact CG2-CD2 4.22Å; Q310-L407 HydrophobicContact CB-CD1 3.72Å; Q310-L407 HydrophobicContact CG-CD1 4.19Å; F312-L407 HydrophobicContact CE2-CD1 3.91Å; F312-L407 HydrophobicContact CZ-CD1 3.99Å; V336-L407 HydrophobicContact CB-CB 4.35Å; V336-L407 HydrophobicContact CB-CD1 4.24Å; V336-L407 HydrophobicContact CG1-CB 4.02Å; V336-L407 HydrophobicContact CG2-CB 4.43Å; V336-L407 HydrophobicContact CG2-CD1 4.47Å; V338-L407 HydrophobicContact CG2-CB 4.35Å; V338-L407 HydrophobicContact CG2-CD2 3.86Å; A403-L407 WeakPolarHBondContact O-CG 3.43Å; A403-L407 PolarHBondContact O-N 3.18Å; A403-L407 VanDerWaalsContact O-N 3.08Å; C405-L407 PolarHBondContact O-N 3.07Å; L407-M411 VanDerWaalsContact O-CB 3.26Å; L407-M411 WeakPolarHBondContact O-CB 3.5Å; L407-M411 PolarHBondContact O-N 3.31Å; L407-V458 HydrophobicContact CD1-CG1 3.45Å; L407-V458 VanDerWaalsContact CD1-CG1 3.45Å; L407-V458 HydrophobicContact CD2-CG1 4.24Å; L407-V458 HydrophobicContact CG-CG1 3.96Å; L407-I462 HydrophobicContact CD2-CD1 4.14Å
408	L	86.5	Confident	81.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.8	-34.4	176.2	-68.6	-175.3	0	0	0	112.5	V336 L343 I364 L367 F404 C405 M411 K412 W888	V336-L408 HydrophobicContact CG1-CD2 3.89Å; V336-L408 HydrophobicContact CG2-CD2 4.01Å; V336-L408 HydrophobicContact CG2-CG 4.48Å; L343-L408 HydrophobicContact CB-CD2 4.3Å; L343-L408 HydrophobicContact CD2-CD1 4.38Å; L343-L408 HydrophobicContact CD2-CD2 4.18Å; I364-L408 HydrophobicContact CD1-CD1 4.43Å; I364-L408 HydrophobicContact CD1-CD2 4.04Å; L367-L408 HydrophobicContact CD1-CD1 4.28Å; L367-L408 HydrophobicContact CD2-CD1 3.92Å; F404-L408 HydrophobicContact CD1-CD1 4.02Å; F404-L408 HydrophobicContact CD1-CG 4.47Å; F404-L408 HydrophobicContact CE1-CD1 3.35Å; F404-L408 HydrophobicContact CE1-CG 4.13Å; F404-L408 HydrophobicContact CE2-CD1 4.28Å; F404-L408 HydrophobicContact CE2-CG 4.36Å; F404-L408 HydrophobicContact CZ-CD1 3.51Å; F404-L408 HydrophobicContact CZ-CD2 4.41Å; F404-L408 HydrophobicContact CZ-CG 4.06Å; F404-L408 WeakPolarHBondContact O-CG 3.36Å; F404-L408 PolarHBondContact O-N 3.22Å; C405-L408 PolarHBondContact O-N 3.44Å; C405-L408 VanDerWaalsContact O-N 3.08Å; L408-M411 HydrophobicContact CD2-CE 3.54Å; L408-M411 HydrophobicContact CD2-SD 4.31Å; L408-K412 WeakPolarHBondContact O-CB 3.21Å; L408-K412 PolarHBondContact O-N 2.84Å; L408-W888 HydrophobicContact CB-CH2 3.91Å
409	Q	80.8	Confident	80.6	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-52.4	170.7	-71	166.4	-87.1	0	0	109.8	C405 Q406 M411 K412 N413 E726 W888 I889	C405-Q409 WeakPolarHBondContact O-CG 3.35Å; C405-Q409 PolarHBondContact O-N 3.17Å; C405-Q409 PolarHBondContact O-OE1 3.09Å; Q406-Q409 PolarHBondContact O-N 3.35Å; Q409-M411 VanDerWaalsContact C-N 3.31Å; Q409-M411 PolarHBondContact O-N 3.16Å; Q409-K412 CarbonylContact O-C 3.59Å; Q409-K412 PolarHBondContact O-N 2.98Å; Q409-N413 WeakPolarHBondContact O-CB 3.44Å; Q409-N413 PolarHBondContact O-N 3.46Å; Q409-N413 PolarHBondContact O-OD1 2.82Å; Q409-E726 VanDerWaalsContact NE2-CD 3.28Å; Q409-E726 PolarHBondContact NE2-OE1 3.46Å; Q409-E726 VanDerWaalsContact NE2-OE1 3.14Å; Q409-E726 PolarHBondContact NE2-OE2 2.83Å; Q409-W888 HydrophobicContact CG-CZ2 3.85Å; Q409-I889 HydrophobicContact CG-CD1 3.64Å
410	L	79.4	Confident	80.4	Confident	47 Å²	47	45.6 Å²	45.6	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-41.3	177.6	-175.7	61.9	0	0	0	112.5	I307 V338 Q406 K414 I462	I307-L410 HydrophobicContact CD1-CD2 3.42Å; I307-L410 VanDerWaalsContact CD1-CD2 3.42Å; V338-L410 HydrophobicContact CG1-CD2 4.12Å; V338-L410 HydrophobicContact CG1-CG 3.96Å; Q406-L410 WeakPolarHBondContact O-CB 3.34Å; Q406-L410 PolarHBondContact O-N 2.82Å; L410-K414 WeakPolarHBondContact O-CB 3.46Å; L410-K414 PolarHBondContact O-N 3.43Å; L410-I462 HydrophobicContact CD2-CD1 3.95Å; L410-I462 HydrophobicContact CD2-CG1 3.92Å; L410-I462 HydrophobicContact CD2-CG2 3.81Å
411	M	85	Confident	80.3	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-41.5	173	-175.9	-171	71.3	0	0	112.1	V336 V338 G341 R342 H361 I364 L407 L408 Q409 H415	V336-M411 HydrophobicContact CG1-SD 4.11Å; V338-M411 HydrophobicContact CG1-CB 4.44Å; V338-M411 HydrophobicContact CG2-CB 4.39Å; G341-M411 VanDerWaalsContact C-SD 3.53Å; R342-M411 PolarHBondContact N-SD 3.27Å; H361-M411 HydrophobicContact CB-CE 3.88Å; H361-M411 HydrophobicContact CB-CG 4.39Å; I364-M411 HydrophobicContact CD1-CE 3.81Å; L407-M411 VanDerWaalsContact O-CB 3.26Å; L407-M411 WeakPolarHBondContact O-CB 3.5Å; L407-M411 PolarHBondContact O-N 3.31Å; L408-M411 HydrophobicContact CD2-CE 3.54Å; L408-M411 HydrophobicContact CD2-SD 4.31Å; Q409-M411 VanDerWaalsContact C-N 3.31Å; Q409-M411 PolarHBondContact O-N 3.16Å; M411-H415 PolarHBondContact O-CD2 2.63Å; M411-H415 VanDerWaalsContact O-CD2 3.24Å; M411-H415 PolarHBondContact O-N 2.72Å
412	K	79.6	Confident	80	Confident	32 Å²	32	42.5 Å²	42.5	14%	0.139	21%	0.207	C	C	.	.	H	α-helix	trans	-68.3	-46.5	177.8	-162.5	172.5	179.5	169.8	0	110.7	L408 Q409 K414 H415 S416 L885 W888	L408-K412 WeakPolarHBondContact O-CB 3.21Å; L408-K412 PolarHBondContact O-N 2.84Å; Q409-K412 CarbonylContact O-C 3.59Å; Q409-K412 PolarHBondContact O-N 2.98Å; K412-K414 PolarHBondContact O-N 2.91Å; K412-H415 PolarHBondContact O-N 2.87Å; K412-S416 VanDerWaalsContact O-CB 3.27Å; K412-S416 WeakPolarHBondContact O-CB 3.34Å; K412-S416 PolarHBondContact O-N 3.16Å; K412-L885 HydrophobicContact CB-CD2 4.2Å; K412-L885 HydrophobicContact CD-CD2 3.89Å; K412-L885 HydrophobicContact CG-CD2 3.67Å; K412-W888 HydrophobicContact CD-CD2 3.97Å; K412-W888 HydrophobicContact CD-CE3 4.25Å; K412-W888 HydrophobicContact CD-CG 4.48Å; K412-W888 HydrophobicContact CD-CH2 4.31Å; K412-W888 HydrophobicContact CD-CZ2 4.01Å; K412-W888 HydrophobicContact CD-CZ3 4.4Å
413	N	76.9	Confident	80.1	Confident	49 Å²	49	41 Å²	41	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-57.8	-45.8	176.3	-63.8	13.6	0	0	0	111.6	Q409 H415 S416 L885	Q409-N413 WeakPolarHBondContact O-CB 3.44Å; Q409-N413 PolarHBondContact O-N 3.46Å; Q409-N413 PolarHBondContact O-OD1 2.82Å; N413-H415 VanDerWaalsContact C-N 3.31Å; N413-H415 PolarHBondContact O-N 2.64Å; N413-S416 PolarHBondContact O-OG 3.28Å; N413-L885 HydrophobicContact CB-CD1 4.48Å; N413-L885 WeakPolarHBondContact OD1-CD1 3.23Å
414	K	79.6	Confident	80.4	Confident	108 Å²	108	41.1 Å²	41.1	47%	0.47	20%	0.201	S	C	.	.	H	α-helix	trans	-68.7	-24.1	-177.5	-178.2	163.2	178.6	161.5	0	114.2	V338 E339 L410 K412	V338-K414 HydrophobicContact CG1-CD 4.34Å; E339-K414 IonicContact OE1-NZ 2.83Å; E339-K414 PolarHBondContact OE1-NZ 3.12Å; E339-K414 IonicContact OE2-NZ 3.92Å; E339-K414 PolarHBondContact OE2-NZ 3.09Å; L410-K414 WeakPolarHBondContact O-CB 3.46Å; L410-K414 PolarHBondContact O-N 3.43Å; K412-K414 PolarHBondContact O-N 2.91Å
415	H	81.3	Confident	80.6	Confident	49 Å²	49	42.5 Å²	42.5	23%	0.227	21%	0.211	C	C	.	.	H	α-helix	trans	-113.7	-4.9	-176.3	-68.7	-99.4	0	0	0	114.5	V338 E339 G341 H361 M411 K412 N413 K417	V338-H415 PolarHBondContact O-NE2 2.77Å; E339-H415 PolarHBondContact O-CE1 2.83Å; E339-H415 PolarHBondContact O-NE2 3.38Å; G341-H415 WeakPolarHBondContact CA-NE2 3.44Å; G341-H415 PolarHBondContact N-CE1 3.08Å; G341-H415 PolarHBondContact N-NE2 3.31Å; H361-H415 WeakPolarHBondContact ND1-CB 3.42Å; H361-H415 PolarHBondContact NE2-O 2.81Å; M411-H415 PolarHBondContact O-CD2 2.63Å; M411-H415 VanDerWaalsContact O-CD2 3.24Å; M411-H415 PolarHBondContact O-N 2.72Å; K412-H415 PolarHBondContact O-N 2.87Å; N413-H415 VanDerWaalsContact C-N 3.31Å; N413-H415 PolarHBondContact O-N 2.64Å; H415-K417 PolarHBondContact O-N 3.46Å; H415-K417 VanDerWaalsContact O-N 3.09Å
416	S	70.1	Confident	81.2	Confident	35 Å²	35	42.5 Å²	42.5	25%	0.245	21%	0.211	C	C	.	.	S	Bend	trans	-63.2	-15.7	-175.3	66.6	0	0	0	0	115.4	K412 N413 Q418	K412-S416 VanDerWaalsContact O-CB 3.27Å; K412-S416 WeakPolarHBondContact O-CB 3.34Å; K412-S416 PolarHBondContact O-N 3.16Å; N413-S416 PolarHBondContact O-OG 3.28Å; S416-Q418 PolarHBondContact O-N 3.17Å; S416-Q418 PolarHBondContact OG-N 3.39Å; S416-Q418 PolarHBondContact OG-OE1 2.68Å
417	K	66.9	Low	81.9	Confident	199 Å²	199	41.1 Å²	41.1	87%	0.865	20%	0.204	S	C	*	.			trans	58.7	25.1	-171.9	-48.6	178.4	-175.5	174.9	0	114.2	H415	H415-K417 PolarHBondContact O-N 3.46Å; H415-K417 VanDerWaalsContact O-N 3.09Å
418	Q	64.3	Low	82.4	Confident	53 Å²	53	41 Å²	41	25%	0.248	20%	0.204	C	C	.	.			trans	-83.1	135.1	172.3	-66.6	169.5	-22.4	0	0	109.9	S416 E420 R882	S416-Q418 PolarHBondContact O-N 3.17Å; S416-Q418 PolarHBondContact OG-N 3.39Å; S416-Q418 PolarHBondContact OG-OE1 2.68Å; Q418-E420 VanDerWaalsContact C-N 3.31Å; Q418-R882 VanDerWaalsContact NE2-CZ 3.33Å
419	D	66.8	Low	83	Confident	149 Å²	149	41 Å²	41	80%	0.797	20%	0.204	S	C	*	.	S	Bend	trans	-71.2	-28.7	178.9	-54.9	-58.8	0	0	0	112.5	R521	D419-R521 PolarHBondContact O-NH2 3.27Å
420	E	77.4	Confident	83.9	Confident	55 Å²	55	40.7 Å²	40.7	26%	0.257	20%	0.202	S	C	.	.	S	Bend	trans	-124.4	140.8	-177.7	-71.8	-56.7	130.6	0	0	111.4	Q418 R521 N551	Q418-E420 VanDerWaalsContact C-N 3.31Å; E420-R521 VanDerWaalsContact CD-NH2 3.33Å; E420-R521 IonicContact OE1-CZ 3.41Å; E420-R521 IonicContact OE1-NE 3.58Å; E420-R521 PolarHBondContact OE1-NE 3.07Å; E420-R521 IonicContact OE1-NH2 3.28Å; E420-R521 PolarHBondContact OE1-NH2 3.44Å; E420-R521 IonicContact OE2-CZ 3.88Å; E420-R521 IonicContact OE2-NE 2.72Å; E420-R521 PolarHBondContact OE2-NE 3.02Å; E420-R521 IonicContact OE2-NH2 3.97Å; E420-R521 PolarHBondContact OE2-NH2 3.23Å; E420-N551 PolarHBondContact OE2-ND2 3.43Å
421	P	84.3	Confident	84.8	Confident	22 Å²	22	38.5 Å²	38.5	14%	0.143	19%	0.19	C	C	.	.			trans	-76.2	142.5	178.7	31.9	-34.1	0	0	0	112.1	I424 F550 V729	P421-I424 HydrophobicContact CG-CG2 4.46Å; P421-F550 HydrophobicContact CG-CE1 4.06Å; P421-F550 HydrophobicContact CG-CZ 4.21Å; P421-V729 WeakPolarHBondContact O-CG2 3.41Å
422	D	83.6	Confident	85.5	Confident	13 Å²	13	38.8 Å²	38.8	7%	0.07	19%	0.192	C	C	.	.	S	Bend	trans	-88.8	-9.3	169	-70.6	-27.6	0	0	0	112.9	G728 V729 R882 L885	D422-G728 WeakPolarHBondContact O-CA 3.4Å; D422-V729 PolarHBondContact O-N 2.73Å; D422-R882 IonicContact OD1-CZ 2.67Å; D422-R882 IonicContact OD1-NH2 2.68Å; D422-R882 PolarHBondContact OD1-NH2 2.64Å; D422-R882 IonicContact OD2-CZ 3.21Å; D422-R882 IonicContact OD2-NE 2.74Å; D422-R882 IonicContact OD2-NH2 2.67Å; D422-R882 PolarHBondContact OD2-NH2 2.9Å; D422-L885 HydrophobicContact CB-CB 4.3Å; D422-L885 HydrophobicContact CB-CD1 4.23Å
423	M	86.5	Confident	86.4	Confident	9 Å²	9	37.2 Å²	37.2	4%	0.044	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.6	178.8	-63.4	-174.3	-58.2	0	0	111.3	E726 V727 L885 Y886	M423-E726 HydrophobicContact SD-CG 3.91Å; M423-V727 CarbonylContact C-O 3.51Å; M423-V727 VanDerWaalsContact CA-O 3.24Å; M423-V727 WeakPolarHBondContact CA-O 3.43Å; M423-L885 HydrophobicContact CE-CB 3.9Å; M423-L885 VanDerWaalsContact CE-O 3.26Å; M423-L885 WeakPolarHBondContact CE-O 3.48Å; M423-Y886 HydrophobicContact CG-CD1 3.62Å; M423-Y886 HydrophobicContact CG-CE1 4.29Å; M423-Y886 HydrophobicContact SD-CD1 3.83Å; M423-Y886 HydrophobicContact SD-CG 4.25Å
424	I	92.1	Very high	87.3	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	157.3	168.6	57	173.7	0	0	0	111.2	P421 I426 D465 I466 F550 F555 V727 V729	P421-I424 HydrophobicContact CG-CG2 4.46Å; I424-I426 HydrophobicContact CD1-CD1 4.02Å; I424-I426 HydrophobicContact CD1-CG1 4.11Å; I424-I426 HydrophobicContact CG1-CD1 4.43Å; I424-I426 HydrophobicContact CG1-CG1 4.25Å; I424-D465 WeakPolarHBondContact CA-OD2 3.5Å; I424-D465 HydrophobicContact CB-CB 4Å; I424-D465 HydrophobicContact CG2-CB 4.19Å; I424-I466 HydrophobicContact CD1-CD1 3.71Å; I424-I466 HydrophobicContact CD1-CG1 4.42Å; I424-F550 HydrophobicContact CD1-CD2 3.99Å; I424-F550 HydrophobicContact CD1-CE2 4.18Å; I424-F550 HydrophobicContact CD1-CG 4.19Å; I424-F550 HydrophobicContact CG2-CE1 4.01Å; I424-F550 HydrophobicContact CG2-CE2 4.03Å; I424-F550 HydrophobicContact CG2-CZ 3.61Å; I424-F555 HydrophobicContact CD1-CE2 4.32Å; I424-F555 HydrophobicContact CD1-CZ 4.04Å; I424-V727 PolarHBondContact N-O 2.96Å; I424-V727 PolarHBondContact O-N 3.14Å; I424-V729 HydrophobicContact CD1-CG1 3.84Å; I424-V729 HydrophobicContact CG1-CG1 3.79Å; I424-V729 HydrophobicContact CG1-CG2 4.46Å; I424-V729 HydrophobicContact CG2-CG2 4.13Å
425	S	94.4	Very high	88	Confident	29 Å²	29	32.6 Å²	32.6	20%	0.203	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.1	170.8	-169.2	0	0	0	0	111.1	H464 D465 I466 F725	S425-H464 PolarHBondContact OG-ND1 2.54Å; S425-D465 PolarHBondContact N-OD2 3.35Å; S425-D465 PolarHBondContact O-N 2.9Å; S425-I466 PolarHBondContact O-N 3.38Å; S425-F725 CarbonylContact C-O 3.54Å; S425-F725 VanDerWaalsContact CA-O 3.26Å; S425-F725 WeakPolarHBondContact CA-O 3.19Å; S425-F725 PolarHBondContact OG-O 3.46Å
426	I	98.3	Very high	88.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.6	-177.6	-52.9	-175.6	0	0	0	109.2	I424 I428 I466 V468 F555 F557 F603 T724 F725 V727	I424-I426 HydrophobicContact CD1-CD1 4.02Å; I424-I426 HydrophobicContact CD1-CG1 4.11Å; I424-I426 HydrophobicContact CG1-CD1 4.43Å; I424-I426 HydrophobicContact CG1-CG1 4.25Å; I426-I428 HydrophobicContact CG2-CG1 4.16Å; I426-I466 WeakPolarHBondContact CA-O 3.26Å; I426-I466 HydrophobicContact CD1-CD1 4.35Å; I426-I466 HydrophobicContact CG1-CB 4.33Å; I426-I466 HydrophobicContact CG1-CD1 4.41Å; I426-I466 HydrophobicContact CG2-CB 4.28Å; I426-I466 HydrophobicContact CG2-CG2 4.43Å; I426-V468 HydrophobicContact CG2-CG2 4.46Å; I426-F555 HydrophobicContact CD1-CD1 3.9Å; I426-F555 HydrophobicContact CD1-CE1 3.37Å; I426-F555 HydrophobicContact CD1-CZ 4.01Å; I426-F557 HydrophobicContact CD1-CZ 4.41Å; I426-F557 HydrophobicContact CG2-CE1 4.11Å; I426-F557 HydrophobicContact CG2-CZ 4.28Å; I426-F603 HydrophobicContact CD1-CE2 4.4Å; I426-T724 CarbonylContact O-C 3.56Å; I426-T724 WeakPolarHBondContact O-CA 3.37Å; I426-F725 PolarHBondContact N-O 3.43Å; I426-F725 PolarHBondContact O-N 2.96Å; I426-V727 HydrophobicContact CD1-CB 4.44Å; I426-V727 HydrophobicContact CD1-CG2 3.95Å; I426-V727 HydrophobicContact CG1-CG2 4.31Å
427	F	98.8	Very high	89.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138	166.5	175.4	-83.6	0	0	0	110.3	G429 W445 H464 I466 Y467 V468 F469 F722 T724	F427-G429 VanDerWaalsContact CE1-N 3.28Å; F427-W445 WeakPolarHBondContact CE2-O 3.5Å; F427-W445 HydrophobicContact CZ-CG 4.5Å; F427-W445 VanDerWaalsContact CZ-O 3.29Å; F427-W445 WeakPolarHBondContact CZ-O 3.35Å; F427-H464 HydrophobicContact CB-CB 4.19Å; F427-I466 PolarHBondContact N-O 3.32Å; F427-Y467 HydrophobicContact CB-CD1 3.53Å; F427-Y467 HydrophobicContact CB-CE1 3.85Å; F427-Y467 HydrophobicContact CB-CG 4.06Å; F427-Y467 AromaticContact CD1-CD1 3.52Å; F427-Y467 HydrophobicContact CD1-CD1 3.52Å; F427-Y467 HydrophobicContact CD1-CE1 4.22Å; F427-Y467 HydrophobicContact CD1-CG 4.38Å; F427-Y467 HydrophobicContact CD2-CD1 4.31Å; F427-Y467 HydrophobicContact CD2-CE1 4.21Å; F427-Y467 HydrophobicContact CE1-CD1 4.33Å; F427-Y467 AromaticContact CG-CD1 3.52Å; F427-Y467 HydrophobicContact CG-CD1 3.52Å; F427-Y467 AromaticContact CG-CE1 3.83Å; F427-Y467 HydrophobicContact CG-CE1 3.83Å; F427-Y467 HydrophobicContact CG-CG 4.44Å; F427-V468 PolarHBondContact O-N 3.2Å; F427-F469 HydrophobicContact CD1-CE1 4.05Å; F427-F469 HydrophobicContact CD1-CZ 4.44Å; F427-F469 AromaticContact CE1-CD1 3.95Å; F427-F469 HydrophobicContact CE1-CD1 3.95Å; F427-F469 AromaticContact CE1-CE1 3.52Å; F427-F469 HydrophobicContact CE1-CE1 3.52Å; F427-F469 HydrophobicContact CE1-CZ 4.31Å; F427-F469 HydrophobicContact CZ-CE1 4.39Å; F427-F722 HydrophobicContact CE2-CB 3.8Å; F427-F722 HydrophobicContact CZ-CB 4.01Å; F427-T724 HydrophobicContact CB-CG2 4.39Å; F427-T724 HydrophobicContact CD2-CG2 3.76Å
428	I	98.9	Very high	91.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.6	170.5	-55	-173.8	0	0	0	108.3	I426 V468 F557 F603 F605 I692 F722 G723 F725	I426-I428 HydrophobicContact CG2-CG1 4.16Å; I428-V468 CarbonylContact C-O 3.59Å; I428-V468 WeakPolarHBondContact CA-O 3.34Å; I428-V468 HydrophobicContact CG1-CB 4.36Å; I428-F557 HydrophobicContact CD1-CD1 4.14Å; I428-F557 HydrophobicContact CD1-CE1 4.02Å; I428-F557 HydrophobicContact CG1-CE1 4.5Å; I428-F603 HydrophobicContact CD1-CB 3.49Å; I428-F603 VanDerWaalsContact CD1-CB 3.49Å; I428-F603 HydrophobicContact CD1-CD1 3.29Å; I428-F603 HydrophobicContact CD1-CD2 4.02Å; I428-F603 HydrophobicContact CD1-CE1 3.95Å; I428-F603 HydrophobicContact CD1-CG 3.32Å; I428-F605 HydrophobicContact CG2-CB 4.3Å; I428-F605 HydrophobicContact CG2-CD1 3.58Å; I428-F605 HydrophobicContact CG2-CD2 3.93Å; I428-F605 HydrophobicContact CG2-CE1 3.83Å; I428-F605 HydrophobicContact CG2-CE2 4.12Å; I428-F605 HydrophobicContact CG2-CG 3.67Å; I428-F605 HydrophobicContact CG2-CZ 4.1Å; I428-I692 HydrophobicContact CB-CD1 4.33Å; I428-I692 HydrophobicContact CB-CG2 4.44Å; I428-I692 HydrophobicContact CG2-CD1 4.11Å; I428-I692 HydrophobicContact CG2-CG1 4.43Å; I428-I692 HydrophobicContact CG2-CG2 4.15Å; I428-I692 WeakPolarHBondContact O-CD1 3.4Å; I428-F722 CarbonylContact O-C 3.58Å; I428-F722 WeakPolarHBondContact O-CA 3.49Å; I428-G723 PolarHBondContact N-O 2.91Å; I428-G723 PolarHBondContact O-N 3.02Å; I428-F725 HydrophobicContact CD1-CD2 4.18Å; I428-F725 HydrophobicContact CD1-CE2 3.92Å; I428-F725 HydrophobicContact CG1-CD2 4.37Å; I428-F725 HydrophobicContact CG1-CE2 4.26Å
429	G	98.8	Very high	92.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.2	169.4	0	0	0	0	0	110.8	F427 V468 G470 V721	F427-G429 VanDerWaalsContact CE1-N 3.28Å; G429-V468 PolarHBondContact N-O 3.17Å; G429-G470 WeakPolarHBondContact O-CA 3.5Å; G429-G470 PolarHBondContact O-N 3.24Å; G429-V721 WeakPolarHBondContact CA-O 3.1Å
430	T	98.9	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138	160.9	-176.4	0	0	0	0	110.2	G470 Q472 G606 D690 I692 V721	T430-G470 WeakPolarHBondContact CA-O 3.48Å; T430-Q472 PolarHBondContact OG1-NE2 2.96Å; T430-G606 VanDerWaalsContact OG1-CA 3.25Å; T430-G606 WeakPolarHBondContact OG1-CA 3.44Å; T430-D690 HydrophobicContact CG2-CB 4.29Å; T430-I692 HydrophobicContact CG2-CG1 4.06Å; T430-V721 HydrophobicContact CG2-CB 3.85Å; T430-V721 HydrophobicContact CG2-CG1 4.19Å; T430-V721 PolarHBondContact N-O 2.83Å; T430-V721 PolarHBondContact O-N 2.84Å
431	W	98.9	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	119.3	176.3	-178.2	30.6	0	0	0	112.7	M433 P438 W445 G470 T471 Q472 I713 T715 H718 P720	W431-M433 HydrophobicContact CD2-CG 3.68Å; W431-M433 HydrophobicContact CE3-CG 3.59Å; W431-M433 HydrophobicContact CE3-SD 4.29Å; W431-M433 HydrophobicContact CG-CG 4.26Å; W431-M433 HydrophobicContact CH2-CG 4.29Å; W431-M433 HydrophobicContact CZ2-CG 4.37Å; W431-M433 HydrophobicContact CZ3-CG 3.91Å; W431-M433 HydrophobicContact CZ3-SD 4.45Å; W431-M433 PolarHBondContact O-N 3.09Å; W431-P438 HydrophobicContact CH2-CB 4.02Å; W431-P438 HydrophobicContact CZ3-CB 3.88Å; W431-W445 HydrophobicContact CB-CH2 4Å; W431-W445 HydrophobicContact CB-CZ2 3.78Å; W431-W445 HydrophobicContact CE3-CH2 4.5Å; W431-W445 HydrophobicContact CE3-CZ3 4.26Å; W431-G470 PolarHBondContact N-O 3.02Å; W431-G470 VanDerWaalsContact N-O 3.16Å; W431-T471 VanDerWaalsContact O-CA 3.28Å; W431-T471 WeakPolarHBondContact O-CA 3.41Å; W431-Q472 PolarHBondContact O-N 2.88Å; W431-Q472 VanDerWaalsContact O-N 3.12Å; W431-Q472 PolarHBondContact O-OE1 2.87Å; W431-I713 HydrophobicContact CH2-CG2 3.66Å; W431-I713 HydrophobicContact CZ2-CG2 3.55Å; W431-I713 HydrophobicContact CZ3-CG2 4.36Å; W431-T715 WeakPolarHBondContact CZ2-OG1 3.35Å; W431-H718 PolarHBondContact NE1-O 2.89Å; W431-P720 HydrophobicContact CB-CB 4.06Å; W431-P720 HydrophobicContact CB-CG 4.38Å; W431-P720 HydrophobicContact CD2-CB 4.28Å; W431-P720 HydrophobicContact CD2-CG 3.65Å; W431-P720 HydrophobicContact CE3-CG 4.2Å; W431-P720 HydrophobicContact CG-CB 3.91Å; W431-P720 HydrophobicContact CG-CG 3.7Å; W431-P720 HydrophobicContact CZ2-CG 4.34Å
432	N	98.7	Very high	94.8	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	109.5	164.8	-177.6	-32.5	0	0	0	109	G434 Q472 E473 D607 S716 H718	N432-G434 VanDerWaalsContact C-N 3.25Å; N432-G434 PolarHBondContact O-N 2.87Å; N432-G434 PolarHBondContact OD1-N 3.44Å; N432-Q472 CarbonylContact C-O 3.56Å; N432-Q472 WeakPolarHBondContact CA-O 3.39Å; N432-Q472 VanDerWaalsContact CA-OE1 3.31Å; N432-Q472 HydrophobicContact CB-CB 4.3Å; N432-E473 WeakPolarHBondContact OD1-CB 3.27Å; N432-E473 WeakPolarHBondContact OD1-CG 3.39Å; N432-D607 HydrophobicContact CB-CB 4.36Å; N432-D607 PolarHBondContact ND2-OD2 2.6Å; N432-S716 WeakPolarHBondContact O-CB 3.44Å; N432-S716 PolarHBondContact O-OG 3.22Å; N432-H718 HydrophobicContact CB-CB 4.06Å; N432-H718 PolarHBondContact ND2-NE2 3.28Å
433	M	98.4	Very high	95.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.			trans	-80	-1.6	-174.7	-70.2	173.1	59	0	0	113.7	W431 S435 V436 P438 T471 Q472 N474 V476 W481	W431-M433 HydrophobicContact CD2-CG 3.68Å; W431-M433 HydrophobicContact CE3-CG 3.59Å; W431-M433 HydrophobicContact CE3-SD 4.29Å; W431-M433 HydrophobicContact CG-CG 4.26Å; W431-M433 HydrophobicContact CH2-CG 4.29Å; W431-M433 HydrophobicContact CZ2-CG 4.37Å; W431-M433 HydrophobicContact CZ3-CG 3.91Å; W431-M433 HydrophobicContact CZ3-SD 4.45Å; W431-M433 PolarHBondContact O-N 3.09Å; M433-S435 PolarHBondContact O-N 2.86Å; M433-V436 VanDerWaalsContact O-CG2 3.28Å; M433-V436 WeakPolarHBondContact O-CG2 3.48Å; M433-V436 PolarHBondContact O-N 3.09Å; M433-P438 HydrophobicContact CE-CB 4.27Å; M433-P438 HydrophobicContact CE-CG 4.24Å; M433-T471 HydrophobicContact CG-CG2 4.39Å; M433-T471 HydrophobicContact SD-CG2 3.71Å; M433-Q472 PolarHBondContact N-O 3.37Å; M433-N474 HydrophobicContact CE-CB 4.47Å; M433-N474 WeakPolarHBondContact CE-OD1 3.35Å; M433-N474 HydrophobicContact SD-CB 3.7Å; M433-V476 HydrophobicContact CE-CG2 3.97Å; M433-W481 HydrophobicContact SD-CH2 4.42Å
434	G	96	Very high	95.6	Very high	9 Å²	9	34 Å²	34	9%	0.093	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	26.4	174.6	0	0	0	0	0	114.5	N432 V436 R665 S716	N432-G434 VanDerWaalsContact C-N 3.25Å; N432-G434 PolarHBondContact O-N 2.87Å; N432-G434 PolarHBondContact OD1-N 3.44Å; G434-V436 PolarHBondContact O-N 3.48Å; G434-R665 PolarHBondContact O-NH1 2.76Å; G434-R665 VanDerWaalsContact O-NH1 3.12Å; G434-R665 PolarHBondContact O-NH2 3.17Å; G434-S716 PolarHBondContact N-OG 2.97Å
435	S	95.6	Very high	95.9	Very high	51 Å²	51	33.9 Å²	33.9	36%	0.357	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	21.7	-177.5	-80	0	0	0	0	115	M433 E473 S475	M433-S435 PolarHBondContact O-N 2.86Å; S435-E473 WeakPolarHBondContact CA-O 3.41Å; S435-E473 PolarHBondContact N-O 2.82Å; S435-E473 PolarHBondContact OG-OE2 2.82Å; S435-S475 PolarHBondContact O-OG 3.5Å
436	V	94.6	Very high	96	Very high	43 Å²	43	32.6 Å²	32.6	26%	0.261	18%	0.184	S	C	.	.	S	Bend	trans	-116.8	155.6	172.6	-71.5	0	0	0	0	112.7	M433 G434 R665 T715	M433-V436 VanDerWaalsContact O-CG2 3.28Å; M433-V436 WeakPolarHBondContact O-CG2 3.48Å; M433-V436 PolarHBondContact O-N 3.09Å; G434-V436 PolarHBondContact O-N 3.48Å; V436-R665 VanDerWaalsContact CG1-NH1 3.28Å; V436-T715 WeakPolarHBondContact CG2-O 3.37Å
437	P	93.7	Very high	95.8	Very high	89 Å²	89	33 Å²	33	58%	0.578	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-58.8	151.7	175.2	-25.4	35.5	0	0	0	113.4
438	P	95.7	Very high	95.7	Very high	26 Å²	26	33 Å²	33	17%	0.169	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-71.6	158.5	174.4	32.7	-35.9	0	0	0	111.4	W431 M433 W481 L484	W431-P438 HydrophobicContact CH2-CB 4.02Å; W431-P438 HydrophobicContact CZ3-CB 3.88Å; M433-P438 HydrophobicContact CE-CB 4.27Å; M433-P438 HydrophobicContact CE-CG 4.24Å; P438-W481 HydrophobicContact CG-CZ3 4.2Å; P438-L484 HydrophobicContact CG-CD1 4.25Å
439	P	94.7	Very high	95.5	Very high	41 Å²	41	37.5 Å²	37.5	27%	0.266	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-67.4	157.6	167.4	31.9	-34.1	0	0	0	110.3	N441 V442 I713 T715	P439-N441 WeakPolarHBondContact CG-O 3.37Å; P439-N441 PolarHBondContact O-N 2.98Å; P439-N441 VanDerWaalsContact O-N 3.17Å; P439-V442 HydrophobicContact CG-CG1 3.88Å; P439-I713 HydrophobicContact CG-CG1 4.42Å; P439-I713 HydrophobicContact CG-CG2 4.06Å; P439-T715 HydrophobicContact CB-CG2 4.16Å; P439-T715 HydrophobicContact CG-CG2 4.31Å
440	K	89.6	Confident	95.4	Very high	226 Å²	226	38.8 Å²	38.8	98%	0.983	22%	0.219	S	C	*	.	S	Bend	trans	-60.4	-26	179.1	-67.8	-173.3	178.6	-177.5	0	114
441	N	90.1	Very high	95.3	Very high	97 Å²	97	41.4 Å²	41.4	52%	0.519	23%	0.233	S	C	.	.			trans	-118	119.8	178.2	-175.9	-2.3	0	0	0	108.9	P439 T443	P439-N441 WeakPolarHBondContact CG-O 3.37Å; P439-N441 PolarHBondContact O-N 2.98Å; P439-N441 VanDerWaalsContact O-N 3.17Å; N441-T443 WeakPolarHBondContact OD1-CB 3.46Å; N441-T443 PolarHBondContact OD1-N 3.26Å; N441-T443 PolarHBondContact OD1-OG1 3.4Å
442	V	94.4	Very high	95.2	Very high	20 Å²	20	42.5 Å²	42.5	12%	0.121	24%	0.243	C	C	.	.			trans	-123.4	20	172.3	-64.7	0	0	0	0	111.8	P439 S444 W445 F446 I713	P439-V442 HydrophobicContact CG-CG1 3.88Å; V442-S444 VanDerWaalsContact C-N 3.26Å; V442-S444 PolarHBondContact O-N 2.98Å; V442-W445 WeakPolarHBondContact O-CB 3.49Å; V442-W445 PolarHBondContact O-N 2.9Å; V442-F446 HydrophobicContact CG2-CD1 4.35Å; V442-F446 HydrophobicContact CG2-CE1 3.69Å; V442-F446 HydrophobicContact CG2-CE2 4.19Å; V442-F446 HydrophobicContact CG2-CZ 3.59Å; V442-F446 PolarHBondContact O-N 2.86Å; V442-I713 HydrophobicContact CB-CD1 3.91Å; V442-I713 HydrophobicContact CG1-CD1 4.02Å
443	T	93.3	Very high	95	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.313	26%	0.257	S	S	.	.	H	α-helix	trans	-56.6	-39	-172.5	-56.7	0	0	0	0	112.2	N441 W445 F446 T447 L492	N441-T443 WeakPolarHBondContact OD1-CB 3.46Å; N441-T443 PolarHBondContact OD1-N 3.26Å; N441-T443 PolarHBondContact OD1-OG1 3.4Å; T443-W445 PolarHBondContact O-N 2.98Å; T443-F446 PolarHBondContact O-N 2.87Å; T443-F446 VanDerWaalsContact O-N 3.14Å; T443-T447 HydrophobicContact CG2-CG2 3.88Å; T443-T447 WeakPolarHBondContact O-CB 3.37Å; T443-T447 WeakPolarHBondContact O-CG2 3.5Å; T443-T447 PolarHBondContact O-N 2.9Å; T443-T447 PolarHBondContact O-OG1 3.11Å; T443-L492 HydrophobicContact CG2-CD1 4.05Å
444	S	94.8	Very high	94.7	Very high	21 Å²	21	46.6 Å²	46.6	15%	0.147	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-32.4	178.6	-58.5	0	0	0	0	113.1	V442 T447 S448 K449 D712	V442-S444 VanDerWaalsContact C-N 3.26Å; V442-S444 PolarHBondContact O-N 2.98Å; S444-T447 WeakPolarHBondContact CA-OG1 3.43Å; S444-T447 PolarHBondContact O-OG1 3Å; S444-S448 PolarHBondContact O-N 2.97Å; S444-S448 VanDerWaalsContact O-N 3.17Å; S444-K449 PolarHBondContact O-N 3.4Å; S444-D712 VanDerWaalsContact CB-OD1 3.27Å; S444-D712 WeakPolarHBondContact CB-OD1 3.21Å; S444-D712 WeakPolarHBondContact CB-OD2 3.44Å; S444-D712 PolarHBondContact OG-OD2 3.09Å
445	W	97.9	Very high	94.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.9	-53.3	173.4	-172.7	36.5	0	0	0	110.8	F427 W431 V442 T443 T447 S448 F469 T471 W481 T710 I713 P720 V721	F427-W445 WeakPolarHBondContact CE2-O 3.5Å; F427-W445 HydrophobicContact CZ-CG 4.5Å; F427-W445 VanDerWaalsContact CZ-O 3.29Å; F427-W445 WeakPolarHBondContact CZ-O 3.35Å; W431-W445 HydrophobicContact CB-CH2 4Å; W431-W445 HydrophobicContact CB-CZ2 3.78Å; W431-W445 HydrophobicContact CE3-CH2 4.5Å; W431-W445 HydrophobicContact CE3-CZ3 4.26Å; V442-W445 WeakPolarHBondContact O-CB 3.49Å; V442-W445 PolarHBondContact O-N 2.9Å; T443-W445 PolarHBondContact O-N 2.98Å; W445-T447 PolarHBondContact O-N 3.15Å; W445-T447 VanDerWaalsContact O-N 3.09Å; W445-S448 PolarHBondContact O-N 2.91Å; W445-S448 VanDerWaalsContact O-N 3.16Å; W445-F469 HydrophobicContact CE3-CD1 4.45Å; W445-F469 AromaticContact CH2-CD1 3.95Å; W445-F469 HydrophobicContact CH2-CD1 3.95Å; W445-F469 HydrophobicContact CZ2-CD1 4.43Å; W445-F469 AromaticContact CZ3-CD1 3.95Å; W445-F469 HydrophobicContact CZ3-CD1 3.95Å; W445-F469 HydrophobicContact CZ3-CE1 4.48Å; W445-T471 HydrophobicContact CH2-CG2 4.25Å; W445-W481 HydrophobicContact CZ3-CH2 4.05Å; W445-W481 HydrophobicContact CZ3-CZ2 4.28Å; W445-T710 HydrophobicContact CB-CG2 3.87Å; W445-I713 HydrophobicContact CB-CD1 3.88Å; W445-P720 HydrophobicContact CB-CB 4.36Å; W445-P720 HydrophobicContact CD2-CB 3.98Å; W445-P720 HydrophobicContact CG-CB 3.75Å; W445-V721 PolarHBondContact NE1-O 2.96Å
446	F	95.2	Very high	93.6	Very high	3 Å²	3	45 Å²	45	1%	0.013	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-15.3	-179.5	-62.2	2.2	0	0	0	113.7	V442 T443 Y467 F469 L485 L489 L492	V442-F446 HydrophobicContact CG2-CD1 4.35Å; V442-F446 HydrophobicContact CG2-CE1 3.69Å; V442-F446 HydrophobicContact CG2-CE2 4.19Å; V442-F446 HydrophobicContact CG2-CZ 3.59Å; V442-F446 PolarHBondContact O-N 2.86Å; T443-F446 PolarHBondContact O-N 2.87Å; T443-F446 VanDerWaalsContact O-N 3.14Å; F446-Y467 HydrophobicContact CB-CE1 4.5Å; F446-F469 AromaticContact CD1-CE1 3.46Å; F446-F469 HydrophobicContact CD1-CE1 3.46Å; F446-F469 VanDerWaalsContact CD1-CE1 3.46Å; F446-F469 AromaticContact CD1-CZ 3.9Å; F446-F469 HydrophobicContact CD1-CZ 3.9Å; F446-F469 HydrophobicContact CE1-CD1 4.13Å; F446-F469 AromaticContact CE1-CE1 3.32Å; F446-F469 HydrophobicContact CE1-CE1 3.32Å; F446-F469 AromaticContact CE1-CZ 3.74Å; F446-F469 HydrophobicContact CE1-CZ 3.74Å; F446-F469 HydrophobicContact CG-CE1 4.34Å; F446-F469 HydrophobicContact CG-CZ 4.4Å; F446-F469 HydrophobicContact CZ-CE1 4.11Å; F446-F469 HydrophobicContact CZ-CZ 4.09Å; F446-L485 HydrophobicContact CE1-CD2 4Å; F446-L485 HydrophobicContact CZ-CD2 3.7Å; F446-L489 HydrophobicContact CD2-CD2 3.79Å; F446-L489 HydrophobicContact CD2-CG 4.2Å; F446-L489 HydrophobicContact CE2-CD2 4.23Å; F446-L489 HydrophobicContact CE2-CG 4.13Å; F446-L489 HydrophobicContact CG-CD2 4.38Å; F446-L492 HydrophobicContact CB-CD2 3.95Å
447	T	94.6	Very high	92.7	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.049	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	6	-177.8	55.6	0	0	0	0	113.6	T443 S444 W445 K449 V460 L492	T443-T447 HydrophobicContact CG2-CG2 3.88Å; T443-T447 WeakPolarHBondContact O-CB 3.37Å; T443-T447 WeakPolarHBondContact O-CG2 3.5Å; T443-T447 PolarHBondContact O-N 2.9Å; T443-T447 PolarHBondContact O-OG1 3.11Å; S444-T447 WeakPolarHBondContact CA-OG1 3.43Å; S444-T447 PolarHBondContact O-OG1 3Å; W445-T447 PolarHBondContact O-N 3.15Å; W445-T447 VanDerWaalsContact O-N 3.09Å; T447-K449 PolarHBondContact O-N 3.24Å; T447-V460 VanDerWaalsContact CB-CG2 3.42Å; T447-V460 HydrophobicContact CG2-CG2 3.87Å; T447-V460 WeakPolarHBondContact O-CG2 3.36Å; T447-L492 HydrophobicContact CG2-CD1 3.66Å; T447-L492 HydrophobicContact CG2-CD2 3.71Å; T447-L492 HydrophobicContact CG2-CG 4.35Å
448	S	96.8	Very high	91.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	51.1	178.6	-59.6	0	0	0	0	113.7	S444 W445 T454 L455 S706 F722 T724	S444-S448 PolarHBondContact O-N 2.97Å; S444-S448 VanDerWaalsContact O-N 3.17Å; W445-S448 PolarHBondContact O-N 2.91Å; W445-S448 VanDerWaalsContact O-N 3.16Å; S448-T454 WeakPolarHBondContact O-CA 3.5Å; S448-T454 WeakPolarHBondContact O-CB 3.19Å; S448-T454 WeakPolarHBondContact O-CG2 3.34Å; S448-L455 PolarHBondContact O-N 2.93Å; S448-L455 VanDerWaalsContact O-N 3.16Å; S448-S706 PolarHBondContact OG-OG 2.96Å; S448-F722 WeakPolarHBondContact OG-CD2 3.47Å; S448-T724 WeakPolarHBondContact OG-CG2 3.17Å
449	K	95.1	Very high	90.7	Very high	95 Å²	95	46.5 Å²	46.5	41%	0.413	24%	0.244	S	C	.	.			trans	-109	153.8	175.7	-65.7	-170.7	-177.2	-170.7	0	111.8	S444 T447 F722	S444-K449 PolarHBondContact O-N 3.4Å; T447-K449 PolarHBondContact O-N 3.24Å; K449-F722 WeakPolarHBondContact O-CE1 3.34Å
450	G	95.7	Very high	89.8	Confident	26 Å²	26	45.8 Å²	45.8	27%	0.268	24%	0.238	S	C	.	.	S	Bend	trans	123	-125.8	-176.7	0	0	0	0	0	110.5	D711	G450-D711 WeakPolarHBondContact CA-OD1 3.42Å
451	L	96.9	Very high	88.9	Confident	56 Å²	56	38.5 Å²	38.5	29%	0.293	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	155.5	-172	-53.7	179.5	0	0	0	112.1	F657 P658 G708 C709 D711	L451-F657 HydrophobicContact CB-CB 4.11Å; L451-P658 HydrophobicContact CD1-CG 3.51Å; L451-G708 WeakPolarHBondContact O-CA 3.35Å; L451-C709 PolarHBondContact N-O 2.65Å; L451-C709 PolarHBondContact O-N 2.73Å; L451-C709 VanDerWaalsContact O-N 3.11Å; L451-D711 HydrophobicContact CD1-CB 4.35Å; L451-D711 HydrophobicContact CG-CB 4.26Å
452	G	96.7	Very high	88.5	Confident	22 Å²	22	35.4 Å²	35.4	23%	0.227	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.4	-157.5	-176.2	0	0	0	0	0	114.3	T454 S656	G452-T454 VanDerWaalsContact C-N 3.34Å; G452-T454 PolarHBondContact O-N 3.49Å; G452-T454 PolarHBondContact O-OG1 3.33Å; G452-S656 WeakPolarHBondContact CA-O 3.39Å; G452-S656 WeakPolarHBondContact CA-OG 3.48Å
453	K	94.8	Very high	88.3	Confident	76 Å²	76	36 Å²	36	33%	0.33	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	87.2	-179.9	-175.2	-176.6	170.5	177.2	0	109.2	E653 S656 C704 N705 S706 Y707	K453-E653 HydrophobicContact CD-CG 4.05Å; K453-E653 IonicContact NZ-OE2 3.76Å; K453-E653 PolarHBondContact NZ-OE2 3.38Å; K453-S656 PolarHBondContact N-OG 3.3Å; K453-C704 PolarHBondContact NZ-O 2.95Å; K453-N705 WeakPolarHBondContact CE-O 3.46Å; K453-S706 CarbonylContact O-C 3.46Å; K453-S706 WeakPolarHBondContact O-CA 3.3Å; K453-S706 WeakPolarHBondContact O-CB 3.22Å; K453-Y707 WeakPolarHBondContact CA-O 3.48Å; K453-Y707 WeakPolarHBondContact CB-O 3.34Å; K453-Y707 PolarHBondContact N-O 2.86Å; K453-Y707 PolarHBondContact O-N 3.43Å
454	T	93.6	Very high	88.4	Confident	18 Å²	18	34.1 Å²	34.1	11%	0.11	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-98.8	153.8	-174.2	37.6	0	0	0	0	112.9	R399 S448 G452 F722	R399-T454 VanDerWaalsContact CZ-O 3.27Å; R399-T454 PolarHBondContact NE-O 3.28Å; R399-T454 PolarHBondContact NH1-OG1 3.1Å; R399-T454 VanDerWaalsContact NH2-CB 3.32Å; R399-T454 PolarHBondContact NH2-O 2.93Å; R399-T454 VanDerWaalsContact NH2-O 3.11Å; R399-T454 PolarHBondContact NH2-OG1 2.88Å; S448-T454 WeakPolarHBondContact O-CA 3.5Å; S448-T454 WeakPolarHBondContact O-CB 3.19Å; S448-T454 WeakPolarHBondContact O-CG2 3.34Å; G452-T454 VanDerWaalsContact C-N 3.34Å; G452-T454 PolarHBondContact O-N 3.49Å; G452-T454 PolarHBondContact O-OG1 3.33Å; T454-F722 HydrophobicContact CG2-CE2 4.03Å; T454-F722 HydrophobicContact CG2-CZ 3.64Å
455	L	86.9	Confident	88.4	Confident	16 Å²	16	34 Å²	34	8%	0.084	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-68.2	152.7	177.4	-69.6	179.1	0	0	0	112	R399 S448 N705 T724	R399-L455 PolarHBondContact NH2-O 2.89Å; S448-L455 PolarHBondContact O-N 2.93Å; S448-L455 VanDerWaalsContact O-N 3.16Å; L455-N705 HydrophobicContact CD2-CB 4.42Å; L455-T724 HydrophobicContact CD1-CG2 4.44Å
456	D	81.2	Confident	88.5	Confident	12 Å²	12	34.1 Å²	34.1	6%	0.064	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-76.2	153.2	178.7	-161.8	-86	0	0	0	110.9	R399 A403 V458 T459 V460	R399-D456 WeakPolarHBondContact CD-OD2 3.29Å; R399-D456 HydrophobicContact CG-CB 4.19Å; R399-D456 WeakPolarHBondContact CG-OD2 3.45Å; R399-D456 IonicContact NE-OD2 3.26Å; A403-D456 HydrophobicContact CB-CB 3.81Å; D456-V458 PolarHBondContact O-N 2.66Å; D456-V458 WeakPolarHBondContact OD1-CG2 3.34Å; D456-V458 PolarHBondContact OD1-N 2.87Å; D456-T459 PolarHBondContact N-OG1 3.15Å; D456-T459 PolarHBondContact O-N 2.91Å; D456-V460 WeakPolarHBondContact O-CB 3.11Å; D456-V460 PolarHBondContact O-N 3.04Å; D456-V460 VanDerWaalsContact O-N 3.09Å
457	E	75.9	Confident	88.6	Confident	166 Å²	166	34.1 Å²	34.1	78%	0.776	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.3	177.8	-63.2	179.3	151.4	0	0	113	V460	E457-V460 VanDerWaalsContact O-CG1 3.24Å; E457-V460 WeakPolarHBondContact O-CG1 3.5Å
458	V	71.9	Confident	88.8	Confident	17 Å²	17	33.8 Å²	33.8	10%	0.103	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-47.9	175.1	174.2	0	0	0	0	112.5	Q310 F312 A403 L407 D456 V460 T461	Q310-V458 HydrophobicContact CB-CG1 4.17Å; Q310-V458 VanDerWaalsContact CD-CG2 3.5Å; Q310-V458 HydrophobicContact CG-CB 4.34Å; Q310-V458 HydrophobicContact CG-CG1 3.73Å; Q310-V458 HydrophobicContact CG-CG2 3.61Å; F312-V458 HydrophobicContact CZ-CG1 4.31Å; A403-V458 HydrophobicContact CB-CB 4.43Å; L407-V458 HydrophobicContact CD1-CG1 3.45Å; L407-V458 VanDerWaalsContact CD1-CG1 3.45Å; L407-V458 HydrophobicContact CD2-CG1 4.24Å; L407-V458 HydrophobicContact CG-CG1 3.96Å; D456-V458 PolarHBondContact O-N 2.66Å; D456-V458 WeakPolarHBondContact OD1-CG2 3.34Å; D456-V458 PolarHBondContact OD1-N 2.87Å; V458-V460 VanDerWaalsContact C-N 3.33Å; V458-T461 PolarHBondContact O-OG1 2.93Å
459	T	74.9	Confident	88.9	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.037	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-84.1	-16.3	-170.3	56.1	0	0	0	0	112.7	A403 Q406 D456 T461 I462	A403-T459 HydrophobicContact CB-CG2 3.79Å; Q406-T459 HydrophobicContact CB-CG2 4.13Å; Q406-T459 VanDerWaalsContact OE1-CG2 3.25Å; D456-T459 PolarHBondContact N-OG1 3.15Å; D456-T459 PolarHBondContact O-N 2.91Å; T459-T461 PolarHBondContact O-N 2.84Å; T459-T461 VanDerWaalsContact O-N 3.1Å; T459-I462 HydrophobicContact CG2-CD1 4.13Å; T459-I462 WeakPolarHBondContact O-CB 3.45Å; T459-I462 WeakPolarHBondContact O-CG1 3.31Å; T459-I462 PolarHBondContact O-N 3.38Å
460	V	75.5	Confident	89.1	Confident	25 Å²	25	29.2 Å²	29.2	15%	0.152	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-58.1	-19.1	173.8	85.6	0	0	0	0	115	T447 D456 E457 V458 I462	T447-V460 VanDerWaalsContact CB-CG2 3.42Å; T447-V460 HydrophobicContact CG2-CG2 3.87Å; T447-V460 WeakPolarHBondContact O-CG2 3.36Å; D456-V460 WeakPolarHBondContact O-CB 3.11Å; D456-V460 PolarHBondContact O-N 3.04Å; D456-V460 VanDerWaalsContact O-N 3.09Å; E457-V460 VanDerWaalsContact O-CG1 3.24Å; E457-V460 WeakPolarHBondContact O-CG1 3.5Å; V458-V460 VanDerWaalsContact C-N 3.33Å; V460-I462 VanDerWaalsContact C-N 3.34Å
461	T	71.3	Confident	89.3	Confident	73 Å²	73	28 Å²	28	45%	0.448	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-87.7	-2.1	177.5	64.7	0	0	0	0	113.3	V458 T459 P463	V458-T461 PolarHBondContact O-OG1 2.93Å; T459-T461 PolarHBondContact O-N 2.84Å; T459-T461 VanDerWaalsContact O-N 3.1Å; T461-P463 WeakPolarHBondContact O-CD 3.4Å
462	I	82.4	Confident	89.4	Confident	33 Å²	33	25.3 Å²	25.3	17%	0.169	14%	0.137	C	C	.	.	S	Bend	trans	-91.4	113.3	-178.2	-55.5	169.5	0	0	0	108.3	I307 L407 L410 T459 V460 H464	I307-I462 HydrophobicContact CD1-CG1 4.31Å; L407-I462 HydrophobicContact CD2-CD1 4.14Å; L410-I462 HydrophobicContact CD2-CD1 3.95Å; L410-I462 HydrophobicContact CD2-CG1 3.92Å; L410-I462 HydrophobicContact CD2-CG2 3.81Å; T459-I462 HydrophobicContact CG2-CD1 4.13Å; T459-I462 WeakPolarHBondContact O-CB 3.45Å; T459-I462 WeakPolarHBondContact O-CG1 3.31Å; T459-I462 PolarHBondContact O-N 3.38Å; V460-I462 VanDerWaalsContact C-N 3.34Å; I462-H464 PolarHBondContact O-N 2.89Å
463	P	89.7	Confident	89.4	Confident	31 Å²	31	25.5 Å²	25.5	20%	0.201	13%	0.132	C	C	.	.			trans	-69.3	130	178.6	-18.4	33.1	0	0	0	111	T461 T493 L495 Y497 K515	T461-P463 WeakPolarHBondContact O-CD 3.4Å; P463-T493 HydrophobicContact CB-CG2 3.79Å; P463-T493 HydrophobicContact CG-CG2 4.03Å; P463-L495 HydrophobicContact CB-CD1 4.15Å; P463-L495 HydrophobicContact CG-CD1 4.27Å; P463-Y497 VanDerWaalsContact CB-OH 3.23Å; P463-Y497 WeakPolarHBondContact CB-OH 3.42Å; P463-K515 WeakPolarHBondContact O-CE 3.34Å; P463-K515 PolarHBondContact O-NZ 2.84Å
464	H	94.4	Very high	89.5	Confident	13 Å²	13	21.9 Å²	21.9	6%	0.06	12%	0.117	C	C	.	.			trans	-66.3	148.1	174.4	-57.8	-67.6	0	0	0	110.9	S425 F427 I462 Y467 Y497 K515	S425-H464 PolarHBondContact OG-ND1 2.54Å; F427-H464 HydrophobicContact CB-CB 4.19Å; I462-H464 PolarHBondContact O-N 2.89Å; H464-Y467 HydrophobicContact CB-CD2 4.17Å; H464-Y467 HydrophobicContact CB-CE1 4.48Å; H464-Y467 HydrophobicContact CB-CE2 3.69Å; H464-Y467 AromaticContact CD2-CE1 3.78Å; H464-Y467 AromaticContact CD2-CZ 3.6Å; H464-Y467 PolarHBondContact CD2-OH 2.95Å; H464-Y497 WeakPolarHBondContact O-CE1 3.21Å; H464-Y497 PolarHBondContact O-OH 2.94Å; H464-K515 WeakPolarHBondContact O-CE 3.2Å
465	D	95.9	Very high	89.6	Confident	19 Å²	19	23.9 Å²	23.9	10%	0.102	13%	0.131	C	C	.	.	S	Bend	trans	-71.4	-37.9	-176.8	-58.4	-54.4	0	0	0	111.4	I424 S425 V514 K515	I424-D465 WeakPolarHBondContact CA-OD2 3.5Å; I424-D465 HydrophobicContact CB-CB 4Å; I424-D465 HydrophobicContact CG2-CB 4.19Å; S425-D465 PolarHBondContact N-OD2 3.35Å; S425-D465 PolarHBondContact O-N 2.9Å; D465-V514 WeakPolarHBondContact O-CA 3.47Å; D465-V514 WeakPolarHBondContact O-CG2 3.37Å; D465-K515 PolarHBondContact O-N 3.08Å; D465-K515 WeakPolarHBondContact OD1-CD 3.41Å; D465-K515 WeakPolarHBondContact OD1-CE 3.5Å; D465-K515 IonicContact OD1-NZ 2.73Å; D465-K515 PolarHBondContact OD1-NZ 2.7Å
466	I	98.6	Very high	90	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.4	175.8	-53.5	178.7	0	0	0	109	I424 S425 I426 F427 V468 V512 L513 V514 F548 F550	I424-I466 HydrophobicContact CD1-CD1 3.71Å; I424-I466 HydrophobicContact CD1-CG1 4.42Å; S425-I466 PolarHBondContact O-N 3.38Å; I426-I466 WeakPolarHBondContact CA-O 3.26Å; I426-I466 HydrophobicContact CD1-CD1 4.35Å; I426-I466 HydrophobicContact CG1-CB 4.33Å; I426-I466 HydrophobicContact CG1-CD1 4.41Å; I426-I466 HydrophobicContact CG2-CB 4.28Å; I426-I466 HydrophobicContact CG2-CG2 4.43Å; F427-I466 PolarHBondContact N-O 3.32Å; I466-V468 HydrophobicContact CG2-CG2 3.97Å; I466-V512 HydrophobicContact CG2-CG1 3.9Å; I466-L513 CarbonylContact C-O 3.56Å; I466-L513 WeakPolarHBondContact CA-O 3.25Å; I466-V514 HydrophobicContact CG1-CG2 4.14Å; I466-F548 HydrophobicContact CD1-CE2 4Å; I466-F548 HydrophobicContact CD1-CZ 3.94Å; I466-F550 HydrophobicContact CD1-CD2 4.13Å
467	Y	98.8	Very high	90.7	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.4	167	-75.3	-100.2	0	0	0	109.9	F427 F446 H464 F469 L489 Y497 V512 L513	F427-Y467 HydrophobicContact CB-CD1 3.53Å; F427-Y467 HydrophobicContact CB-CE1 3.85Å; F427-Y467 HydrophobicContact CB-CG 4.06Å; F427-Y467 AromaticContact CD1-CD1 3.52Å; F427-Y467 HydrophobicContact CD1-CD1 3.52Å; F427-Y467 HydrophobicContact CD1-CE1 4.22Å; F427-Y467 HydrophobicContact CD1-CG 4.38Å; F427-Y467 HydrophobicContact CD2-CD1 4.31Å; F427-Y467 HydrophobicContact CD2-CE1 4.21Å; F427-Y467 HydrophobicContact CE1-CD1 4.33Å; F427-Y467 AromaticContact CG-CD1 3.52Å; F427-Y467 HydrophobicContact CG-CD1 3.52Å; F427-Y467 AromaticContact CG-CE1 3.83Å; F427-Y467 HydrophobicContact CG-CE1 3.83Å; F427-Y467 HydrophobicContact CG-CG 4.44Å; F446-Y467 HydrophobicContact CB-CE1 4.5Å; H464-Y467 HydrophobicContact CB-CD2 4.17Å; H464-Y467 HydrophobicContact CB-CE1 4.48Å; H464-Y467 HydrophobicContact CB-CE2 3.69Å; H464-Y467 AromaticContact CD2-CE1 3.78Å; H464-Y467 AromaticContact CD2-CZ 3.6Å; H464-Y467 PolarHBondContact CD2-OH 2.95Å; Y467-F469 HydrophobicContact CD1-CE1 4.42Å; Y467-F469 HydrophobicContact CD1-CE2 4.33Å; Y467-F469 AromaticContact CD1-CZ 3.7Å; Y467-F469 HydrophobicContact CD1-CZ 3.7Å; Y467-F469 HydrophobicContact CG-CE2 4.31Å; Y467-F469 HydrophobicContact CG-CZ 4.13Å; Y467-L489 HydrophobicContact CD1-CD2 3.76Å; Y467-L489 HydrophobicContact CD2-CD1 4.14Å; Y467-L489 HydrophobicContact CD2-CD2 3.99Å; Y467-L489 HydrophobicContact CE1-CD2 3.59Å; Y467-L489 HydrophobicContact CE2-CD2 3.81Å; Y467-L489 HydrophobicContact CG-CD1 4.07Å; Y467-L489 HydrophobicContact CG-CD2 3.97Å; Y467-Y497 HydrophobicContact CD2-CD1 4.16Å; Y467-Y497 AromaticContact CD2-CE1 3.59Å; Y467-Y497 HydrophobicContact CD2-CE1 3.59Å; Y467-Y497 AromaticContact CD2-CZ 3.99Å; Y467-Y497 AromaticContact CE2-CE1 3.8Å; Y467-Y497 HydrophobicContact CE2-CE1 3.8Å; Y467-Y497 HydrophobicContact CE2-CE2 4.43Å; Y467-Y497 AromaticContact CE2-CZ 3.69Å; Y467-V512 WeakPolarHBondContact O-CA 3.41Å; Y467-L513 PolarHBondContact N-O 2.96Å; Y467-L513 PolarHBondContact O-N 2.9Å
468	V	98.9	Very high	91.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.2	176.1	-173.5	0	0	0	0	109.4	I426 F427 I428 G429 I466 V510 A511 V512 F557 F605	I426-V468 HydrophobicContact CG2-CG2 4.46Å; F427-V468 PolarHBondContact O-N 3.2Å; I428-V468 CarbonylContact C-O 3.59Å; I428-V468 WeakPolarHBondContact CA-O 3.34Å; I428-V468 HydrophobicContact CG1-CB 4.36Å; G429-V468 PolarHBondContact N-O 3.17Å; I466-V468 HydrophobicContact CG2-CG2 3.97Å; V468-V510 HydrophobicContact CG1-CG2 4Å; V468-A511 CarbonylContact C-O 3.56Å; V468-A511 WeakPolarHBondContact CA-O 3.49Å; V468-V512 HydrophobicContact CG1-CG2 4.14Å; V468-V512 HydrophobicContact CG2-CG1 4.38Å; V468-V512 HydrophobicContact CG2-CG2 4.11Å; V468-F557 HydrophobicContact CB-CD1 4.29Å; V468-F557 HydrophobicContact CG1-CB 4.21Å; V468-F557 HydrophobicContact CG1-CD1 4.02Å; V468-F557 HydrophobicContact CG1-CG 4.16Å; V468-F557 HydrophobicContact CG2-CD1 3.78Å; V468-F557 HydrophobicContact CG2-CD2 4.48Å; V468-F557 HydrophobicContact CG2-CE1 3.69Å; V468-F557 HydrophobicContact CG2-CE2 4.4Å; V468-F557 HydrophobicContact CG2-CG 4.19Å; V468-F557 HydrophobicContact CG2-CZ 4.02Å; V468-F605 HydrophobicContact CG1-CE1 4.3Å; V468-F605 HydrophobicContact CG1-CE2 4.25Å; V468-F605 HydrophobicContact CG1-CZ 3.55Å
469	F	98.9	Very high	92.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	103.3	-177.6	-60.5	-76.5	0	0	0	110.5	F427 W445 F446 Y467 L485 L489 V510 A511 L513	F427-F469 HydrophobicContact CD1-CE1 4.05Å; F427-F469 HydrophobicContact CD1-CZ 4.44Å; F427-F469 AromaticContact CE1-CD1 3.95Å; F427-F469 HydrophobicContact CE1-CD1 3.95Å; F427-F469 AromaticContact CE1-CE1 3.52Å; F427-F469 HydrophobicContact CE1-CE1 3.52Å; F427-F469 HydrophobicContact CE1-CZ 4.31Å; F427-F469 HydrophobicContact CZ-CE1 4.39Å; W445-F469 HydrophobicContact CE3-CD1 4.45Å; W445-F469 AromaticContact CH2-CD1 3.95Å; W445-F469 HydrophobicContact CH2-CD1 3.95Å; W445-F469 HydrophobicContact CZ2-CD1 4.43Å; W445-F469 AromaticContact CZ3-CD1 3.95Å; W445-F469 HydrophobicContact CZ3-CD1 3.95Å; W445-F469 HydrophobicContact CZ3-CE1 4.48Å; F446-F469 AromaticContact CD1-CE1 3.46Å; F446-F469 HydrophobicContact CD1-CE1 3.46Å; F446-F469 VanDerWaalsContact CD1-CE1 3.46Å; F446-F469 AromaticContact CD1-CZ 3.9Å; F446-F469 HydrophobicContact CD1-CZ 3.9Å; F446-F469 HydrophobicContact CE1-CD1 4.13Å; F446-F469 AromaticContact CE1-CE1 3.32Å; F446-F469 HydrophobicContact CE1-CE1 3.32Å; F446-F469 AromaticContact CE1-CZ 3.74Å; F446-F469 HydrophobicContact CE1-CZ 3.74Å; F446-F469 HydrophobicContact CG-CE1 4.34Å; F446-F469 HydrophobicContact CG-CZ 4.4Å; F446-F469 HydrophobicContact CZ-CE1 4.11Å; F446-F469 HydrophobicContact CZ-CZ 4.09Å; Y467-F469 HydrophobicContact CD1-CE1 4.42Å; Y467-F469 HydrophobicContact CD1-CE2 4.33Å; Y467-F469 AromaticContact CD1-CZ 3.7Å; Y467-F469 HydrophobicContact CD1-CZ 3.7Å; Y467-F469 HydrophobicContact CG-CE2 4.31Å; Y467-F469 HydrophobicContact CG-CZ 4.13Å; F469-L485 HydrophobicContact CB-CD1 4.01Å; F469-L485 HydrophobicContact CB-CD2 4.3Å; F469-L485 HydrophobicContact CD1-CD2 3.89Å; F469-L485 HydrophobicContact CD2-CD1 3.65Å; F469-L485 HydrophobicContact CD2-CD2 3.7Å; F469-L485 HydrophobicContact CD2-CG 4.19Å; F469-L485 HydrophobicContact CE1-CD2 4.08Å; F469-L485 HydrophobicContact CE2-CD1 4.34Å; F469-L485 HydrophobicContact CE2-CD2 3.86Å; F469-L485 HydrophobicContact CE2-CG 4.47Å; F469-L485 HydrophobicContact CG-CD1 3.98Å; F469-L485 HydrophobicContact CG-CD2 3.69Å; F469-L485 HydrophobicContact CG-CG 4.47Å; F469-L485 HydrophobicContact CZ-CD2 4.05Å; F469-L489 HydrophobicContact CE2-CD1 4.06Å; F469-L489 HydrophobicContact CZ-CD1 4.28Å; F469-L489 HydrophobicContact CZ-CD2 4.46Å; F469-V510 CarbonylContact O-C 3.59Å; F469-V510 VanDerWaalsContact O-CA 3.31Å; F469-V510 WeakPolarHBondContact O-CA 3.38Å; F469-A511 PolarHBondContact N-O 2.85Å; F469-A511 PolarHBondContact O-N 2.92Å; F469-L513 HydrophobicContact CD2-CD1 3.85Å; F469-L513 HydrophobicContact CE2-CD1 4.01Å
470	G	98.8	Very high	93.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	135.6	163.8	0	0	0	0	0	110.9	G429 T430 W431 N559	G429-G470 WeakPolarHBondContact O-CA 3.5Å; G429-G470 PolarHBondContact O-N 3.24Å; T430-G470 WeakPolarHBondContact CA-O 3.48Å; W431-G470 PolarHBondContact N-O 3.02Å; W431-G470 VanDerWaalsContact N-O 3.16Å; G470-N559 WeakPolarHBondContact CA-ND2 3.5Å
471	T	98.8	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.8	170	52.6	0	0	0	0	110.6	W431 M433 W445 N474 W481 I508 K509 N559	W431-T471 VanDerWaalsContact O-CA 3.28Å; W431-T471 WeakPolarHBondContact O-CA 3.41Å; M433-T471 HydrophobicContact CG-CG2 4.39Å; M433-T471 HydrophobicContact SD-CG2 3.71Å; W445-T471 HydrophobicContact CH2-CG2 4.25Å; T471-N474 PolarHBondContact OG1-ND2 2.69Å; T471-W481 HydrophobicContact CG2-CH2 4.25Å; T471-W481 HydrophobicContact CG2-CZ2 3.49Å; T471-W481 VanDerWaalsContact CG2-CZ2 3.49Å; T471-I508 WeakPolarHBondContact O-CA 3.09Å; T471-K509 PolarHBondContact N-O 3.43Å; T471-K509 PolarHBondContact O-N 2.89Å; T471-K509 PolarHBondContact OG1-O 3.15Å; T471-N559 PolarHBondContact N-ND2 2.9Å; T471-N559 VanDerWaalsContact N-ND2 3.18Å; T471-N559 PolarHBondContact O-ND2 2.88Å
472	Q	98.6	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.8	173.4	-45.2	77.2	29.5	0	0	107.8	T430 W431 N432 M433 N474 N507 N559 C560 H561 D607	T430-Q472 PolarHBondContact OG1-NE2 2.96Å; W431-Q472 PolarHBondContact O-N 2.88Å; W431-Q472 VanDerWaalsContact O-N 3.12Å; W431-Q472 PolarHBondContact O-OE1 2.87Å; N432-Q472 CarbonylContact C-O 3.56Å; N432-Q472 WeakPolarHBondContact CA-O 3.39Å; N432-Q472 VanDerWaalsContact CA-OE1 3.31Å; N432-Q472 HydrophobicContact CB-CB 4.3Å; M433-Q472 PolarHBondContact N-O 3.37Å; Q472-N474 PolarHBondContact O-N 3.01Å; Q472-N474 VanDerWaalsContact O-N 3.08Å; Q472-N507 CarbonylContact C-O 3.48Å; Q472-N559 PolarHBondContact NE2-OD1 3.5Å; Q472-C560 WeakPolarHBondContact CG-O 3.41Å; Q472-H561 HydrophobicContact CB-CB 4.11Å; Q472-H561 HydrophobicContact CG-CB 3.91Å; Q472-D607 HydrophobicContact CB-CB 4.39Å; Q472-D607 HydrophobicContact CG-CB 3.91Å
473	E	97.1	Very high	96.8	Very high	26 Å²	26	32.9 Å²	32.9	12%	0.121	17%	0.17	C	C	.	.	S	Bend	trans	49.2	35.1	-172.1	-59.3	-55	120.2	0	0	113.1	N432 S435 S475 N507 N540 H561	N432-E473 WeakPolarHBondContact OD1-CB 3.27Å; N432-E473 WeakPolarHBondContact OD1-CG 3.39Å; S435-E473 WeakPolarHBondContact CA-O 3.41Å; S435-E473 PolarHBondContact N-O 2.82Å; S435-E473 PolarHBondContact OG-OE2 2.82Å; E473-S475 PolarHBondContact O-N 2.99Å; E473-N507 PolarHBondContact N-O 2.88Å; E473-N507 VanDerWaalsContact N-O 3.13Å; E473-N540 PolarHBondContact OE1-ND2 3.1Å; E473-H561 IonicContact OE1-CE1 3.24Å; E473-H561 PolarHBondContact OE1-CE1 3.26Å; E473-H561 IonicContact OE1-ND1 3.7Å; E473-H561 PolarHBondContact OE1-ND1 3.07Å
474	N	97.5	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.			trans	-84.6	103.5	178	-174.5	-12.1	0	0	0	110.4	M433 T471 Q472 V476 N507 K509	M433-N474 HydrophobicContact CE-CB 4.47Å; M433-N474 WeakPolarHBondContact CE-OD1 3.35Å; M433-N474 HydrophobicContact SD-CB 3.7Å; T471-N474 PolarHBondContact OG1-ND2 2.69Å; Q472-N474 PolarHBondContact O-N 3.01Å; Q472-N474 VanDerWaalsContact O-N 3.08Å; N474-V476 VanDerWaalsContact C-N 3.34Å; N474-V476 VanDerWaalsContact OD1-CB 3.32Å; N474-V476 WeakPolarHBondContact OD1-CB 2.94Å; N474-V476 PolarHBondContact OD1-N 3.45Å; N474-N507 PolarHBondContact N-O 2.86Å; N474-K509 HydrophobicContact CB-CD 4.24Å; N474-K509 HydrophobicContact CB-CG 4.39Å; N474-K509 WeakPolarHBondContact O-CE 3.47Å
475	S	95.4	Very high	97.2	Very high	60 Å²	60	34.9 Å²	34.9	42%	0.42	18%	0.18	S	C	.	.			trans	-83.4	-3.2	178.3	51.7	0	0	0	0	114.4	S435 E473	S435-S475 PolarHBondContact O-OG 3.5Å; E473-S475 PolarHBondContact O-N 2.99Å
476	V	96.2	Very high	97.2	Very high	10 Å²	10	38.7 Å²	38.7	6%	0.061	19%	0.192	C	C	.	.	S	Bend	trans	-78.9	139.4	177.5	-173.7	0	0	0	0	110.3	M433 N474 E480 W481 L484 K509	M433-V476 HydrophobicContact CE-CG2 3.97Å; N474-V476 VanDerWaalsContact C-N 3.34Å; N474-V476 VanDerWaalsContact OD1-CB 3.32Å; N474-V476 WeakPolarHBondContact OD1-CB 2.94Å; N474-V476 PolarHBondContact OD1-N 3.45Å; V476-E480 HydrophobicContact CG1-CB 3.85Å; V476-E480 HydrophobicContact CG1-CG 3.63Å; V476-W481 HydrophobicContact CB-CB 4.31Å; V476-W481 HydrophobicContact CG1-CB 4.02Å; V476-L484 HydrophobicContact CG1-CD1 4.3Å; V476-K509 PolarHBondContact O-NZ 2.73Å
477	G	95.7	Very high	97.1	Very high	38 Å²	38	40.1 Å²	40.1	39%	0.392	21%	0.207	S	C	.	.			trans	-66.4	142.8	178.6	0	0	0	0	0	112.7	R479 E480 W481	G477-R479 VanDerWaalsContact C-N 3.34Å; G477-R479 PolarHBondContact O-N 3Å; G477-R479 VanDerWaalsContact O-N 3.15Å; G477-E480 WeakPolarHBondContact O-CA 3.46Å; G477-E480 WeakPolarHBondContact O-CB 3.39Å; G477-E480 PolarHBondContact O-N 3.43Å; G477-W481 PolarHBondContact O-N 2.77Å
478	D	96.3	Very high	96.9	Very high	56 Å²	56	40.8 Å²	40.8	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-50.1	-46.8	-169.2	-69.9	20.9	0	0	0	114.1	L482 M502 S504 K509	D478-L482 WeakPolarHBondContact O-CB 3.45Å; D478-L482 PolarHBondContact O-N 3.08Å; D478-M502 HydrophobicContact CB-SD 3.73Å; D478-S504 VanDerWaalsContact OD2-CB 3.23Å; D478-S504 WeakPolarHBondContact OD2-CB 3.41Å; D478-S504 PolarHBondContact OD2-OG 3.48Å; D478-K509 WeakPolarHBondContact OD1-CD 3.49Å; D478-K509 WeakPolarHBondContact OD1-CE 3.25Å; D478-K509 IonicContact OD1-NZ 2.73Å; D478-K509 PolarHBondContact OD1-NZ 2.91Å
479	R	95.4	Very high	96.7	Very high	203 Å²	203	40.8 Å²	40.8	77%	0.766	22%	0.216	S	C	*	.	H	α-helix	trans	-63.9	-43.5	176.1	-178.6	-178.5	65.3	-170.5	-2.8	112.7	G477 L482 D483	G477-R479 VanDerWaalsContact C-N 3.34Å; G477-R479 PolarHBondContact O-N 3Å; G477-R479 VanDerWaalsContact O-N 3.15Å; R479-L482 PolarHBondContact O-N 2.78Å; R479-D483 WeakPolarHBondContact O-CB 3.11Å; R479-D483 PolarHBondContact O-N 3.31Å
480	E	96.6	Very high	96.4	Very high	122 Å²	122	44.3 Å²	44.3	57%	0.57	23%	0.231	S	C	*	.	H	α-helix	trans	-66.3	-42.4	-180	179.4	179.4	-158.6	0	0	110.7	V476 G477 L482 D483 L484	V476-E480 HydrophobicContact CG1-CB 3.85Å; V476-E480 HydrophobicContact CG1-CG 3.63Å; G477-E480 WeakPolarHBondContact O-CA 3.46Å; G477-E480 WeakPolarHBondContact O-CB 3.39Å; G477-E480 PolarHBondContact O-N 3.43Å; E480-L482 PolarHBondContact O-N 3.45Å; E480-D483 PolarHBondContact O-N 3.49Å; E480-L484 HydrophobicContact CG-CD1 4.33Å; E480-L484 WeakPolarHBondContact O-CB 3.15Å; E480-L484 VanDerWaalsContact O-CG 3.26Å; E480-L484 WeakPolarHBondContact O-CG 3.4Å; E480-L484 PolarHBondContact O-N 3.27Å
481	W	97.1	Very high	96.1	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-44.3	172.8	-179.7	-128.1	0	0	0	111.7	M433 P438 W445 T471 V476 G477 L484 L485	M433-W481 HydrophobicContact SD-CH2 4.42Å; P438-W481 HydrophobicContact CG-CZ3 4.2Å; W445-W481 HydrophobicContact CZ3-CH2 4.05Å; W445-W481 HydrophobicContact CZ3-CZ2 4.28Å; T471-W481 HydrophobicContact CG2-CH2 4.25Å; T471-W481 HydrophobicContact CG2-CZ2 3.49Å; T471-W481 VanDerWaalsContact CG2-CZ2 3.49Å; V476-W481 HydrophobicContact CB-CB 4.31Å; V476-W481 HydrophobicContact CG1-CB 4.02Å; G477-W481 PolarHBondContact O-N 2.77Å; W481-L484 HydrophobicContact CE3-CD1 4.46Å; W481-L484 PolarHBondContact O-N 3.41Å; W481-L485 HydrophobicContact CD2-CD1 4.33Å; W481-L485 HydrophobicContact CD2-CG 4.22Å; W481-L485 HydrophobicContact CH2-CD2 3.83Å; W481-L485 HydrophobicContact CH2-CG 4.36Å; W481-L485 HydrophobicContact CZ2-CD1 4.09Å; W481-L485 HydrophobicContact CZ2-CD2 3.66Å; W481-L485 HydrophobicContact CZ2-CG 4Å; W481-L485 HydrophobicContact CZ3-CD2 4.41Å; W481-L485 WeakPolarHBondContact O-CG 3.28Å; W481-L485 PolarHBondContact O-N 2.82Å
482	L	97.2	Very high	95.6	Very high	30 Å²	30	53.8 Å²	53.8	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-41.7	177.6	-173.8	58.5	0	0	0	112.7	D478 R479 E480 L485 R486 P499 M502 L513	D478-L482 WeakPolarHBondContact O-CB 3.45Å; D478-L482 PolarHBondContact O-N 3.08Å; R479-L482 PolarHBondContact O-N 2.78Å; E480-L482 PolarHBondContact O-N 3.45Å; L482-L485 PolarHBondContact O-N 3.22Å; L482-R486 HydrophobicContact CD1-CG 4.42Å; L482-R486 WeakPolarHBondContact O-CB 3.45Å; L482-R486 WeakPolarHBondContact O-CD 3.39Å; L482-R486 WeakPolarHBondContact O-CG 3.4Å; L482-R486 PolarHBondContact O-N 3.11Å; L482-P499 HydrophobicContact CD1-CB 4.14Å; L482-P499 HydrophobicContact CD2-CB 4.03Å; L482-P499 HydrophobicContact CD2-CG 4.31Å; L482-M502 HydrophobicContact CB-CE 3.76Å; L482-M502 HydrophobicContact CB-SD 4.4Å; L482-M502 HydrophobicContact CD1-CE 4.19Å; L482-M502 HydrophobicContact CG-CE 4.45Å; L482-L513 HydrophobicContact CD1-CD1 4.25Å; L482-L513 HydrophobicContact CD1-CD2 4.12Å; L482-L513 HydrophobicContact CD1-CG 4.38Å
483	D	95.9	Very high	95.2	Very high	74 Å²	74	54.4 Å²	54.4	40%	0.396	28%	0.28	S	S	.	.	H	α-helix	trans	-71.4	-31.4	178.6	-73.5	-31.7	0	0	0	112.1	R479 E480 R486 G487	R479-D483 WeakPolarHBondContact O-CB 3.11Å; R479-D483 PolarHBondContact O-N 3.31Å; E480-D483 PolarHBondContact O-N 3.49Å; D483-R486 IonicContact OD1-CZ 3.76Å; D483-R486 IonicContact OD1-NH1 2.75Å; D483-R486 PolarHBondContact OD1-NH1 2.8Å; D483-G487 PolarHBondContact O-N 2.89Å
484	L	96.6	Very high	94.9	Very high	86 Å²	86	56.3 Å²	56.3	45%	0.45	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-47.6	168.4	-75.3	169.4	0	0	0	112	P438 V476 E480 W481 R486 G487 G488	P438-L484 HydrophobicContact CG-CD1 4.25Å; V476-L484 HydrophobicContact CG1-CD1 4.3Å; E480-L484 HydrophobicContact CG-CD1 4.33Å; E480-L484 WeakPolarHBondContact O-CB 3.15Å; E480-L484 VanDerWaalsContact O-CG 3.26Å; E480-L484 WeakPolarHBondContact O-CG 3.4Å; E480-L484 PolarHBondContact O-N 3.27Å; W481-L484 HydrophobicContact CE3-CD1 4.46Å; W481-L484 PolarHBondContact O-N 3.41Å; L484-R486 PolarHBondContact O-N 3.16Å; L484-G487 PolarHBondContact O-N 2.91Å; L484-G488 PolarHBondContact O-N 2.94Å
485	L	97.2	Very high	94.6	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-45.6	176.1	-72	175.4	0	0	0	111.5	F446 F469 W481 L482 L489 A511 L513	F446-L485 HydrophobicContact CE1-CD2 4Å; F446-L485 HydrophobicContact CZ-CD2 3.7Å; F469-L485 HydrophobicContact CB-CD1 4.01Å; F469-L485 HydrophobicContact CB-CD2 4.3Å; F469-L485 HydrophobicContact CD1-CD2 3.89Å; F469-L485 HydrophobicContact CD2-CD1 3.65Å; F469-L485 HydrophobicContact CD2-CD2 3.7Å; F469-L485 HydrophobicContact CD2-CG 4.19Å; F469-L485 HydrophobicContact CE1-CD2 4.08Å; F469-L485 HydrophobicContact CE2-CD1 4.34Å; F469-L485 HydrophobicContact CE2-CD2 3.86Å; F469-L485 HydrophobicContact CE2-CG 4.47Å; F469-L485 HydrophobicContact CG-CD1 3.98Å; F469-L485 HydrophobicContact CG-CD2 3.69Å; F469-L485 HydrophobicContact CG-CG 4.47Å; F469-L485 HydrophobicContact CZ-CD2 4.05Å; W481-L485 HydrophobicContact CD2-CD1 4.33Å; W481-L485 HydrophobicContact CD2-CG 4.22Å; W481-L485 HydrophobicContact CH2-CD2 3.83Å; W481-L485 HydrophobicContact CH2-CG 4.36Å; W481-L485 HydrophobicContact CZ2-CD1 4.09Å; W481-L485 HydrophobicContact CZ2-CD2 3.66Å; W481-L485 HydrophobicContact CZ2-CG 4Å; W481-L485 HydrophobicContact CZ3-CD2 4.41Å; W481-L485 WeakPolarHBondContact O-CG 3.28Å; W481-L485 PolarHBondContact O-N 2.82Å; L482-L485 PolarHBondContact O-N 3.22Å; L485-L489 WeakPolarHBondContact O-CB 3.41Å; L485-L489 WeakPolarHBondContact O-CG 3.36Å; L485-L489 PolarHBondContact O-N 2.87Å; L485-A511 HydrophobicContact CD1-CB 3.9Å; L485-L513 HydrophobicContact CD1-CD1 4.29Å
486	R	96.7	Very high	94.6	Very high	98 Å²	98	60.1 Å²	60.1	37%	0.37	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-40.6	178.2	-70	168.9	70.1	-132.7	-0.2	112	L482 D483 L484 K490 L513	L482-R486 HydrophobicContact CD1-CG 4.42Å; L482-R486 WeakPolarHBondContact O-CB 3.45Å; L482-R486 WeakPolarHBondContact O-CD 3.39Å; L482-R486 WeakPolarHBondContact O-CG 3.4Å; L482-R486 PolarHBondContact O-N 3.11Å; D483-R486 IonicContact OD1-CZ 3.76Å; D483-R486 IonicContact OD1-NH1 2.75Å; D483-R486 PolarHBondContact OD1-NH1 2.8Å; L484-R486 PolarHBondContact O-N 3.16Å; R486-K490 WeakPolarHBondContact O-CB 3.21Å; R486-K490 PolarHBondContact O-N 3.29Å; R486-L513 HydrophobicContact CG-CD2 3.5Å
487	G	95.3	Very high	94.7	Very high	31 Å²	31	59.8 Å²	59.8	32%	0.32	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-53	174.2	0	0	0	0	0	112.3	D483 L484 L489 K490 E491	D483-G487 PolarHBondContact O-N 2.89Å; L484-G487 PolarHBondContact O-N 2.91Å; G487-L489 PolarHBondContact O-N 2.56Å; G487-K490 WeakPolarHBondContact O-CB 3.15Å; G487-K490 PolarHBondContact O-N 2.94Å; G487-K490 VanDerWaalsContact O-N 3.1Å; G487-E491 WeakPolarHBondContact O-CG 3.3Å; G487-E491 PolarHBondContact O-N 3.46Å
488	G	94.1	Very high	94.8	Very high	19 Å²	19	62.6 Å²	62.6	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-39.7	-179.9	0	0	0	0	0	113.5	L484 L492	L484-G488 PolarHBondContact O-N 2.94Å; G488-L492 VanDerWaalsContact O-CB 3.32Å; G488-L492 WeakPolarHBondContact O-CB 3.37Å; G488-L492 PolarHBondContact O-N 2.58Å
489	L	94.6	Very high	94.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.3	-36.8	172.8	-72.7	177.1	0	0	0	112.2	F446 Y467 F469 L485 G487 T493 Y497 L513	F446-L489 HydrophobicContact CD2-CD2 3.79Å; F446-L489 HydrophobicContact CD2-CG 4.2Å; F446-L489 HydrophobicContact CE2-CD2 4.23Å; F446-L489 HydrophobicContact CE2-CG 4.13Å; F446-L489 HydrophobicContact CG-CD2 4.38Å; Y467-L489 HydrophobicContact CD1-CD2 3.76Å; Y467-L489 HydrophobicContact CD2-CD1 4.14Å; Y467-L489 HydrophobicContact CD2-CD2 3.99Å; Y467-L489 HydrophobicContact CE1-CD2 3.59Å; Y467-L489 HydrophobicContact CE2-CD2 3.81Å; Y467-L489 HydrophobicContact CG-CD1 4.07Å; Y467-L489 HydrophobicContact CG-CD2 3.97Å; F469-L489 HydrophobicContact CE2-CD1 4.06Å; F469-L489 HydrophobicContact CZ-CD1 4.28Å; F469-L489 HydrophobicContact CZ-CD2 4.46Å; L485-L489 WeakPolarHBondContact O-CB 3.41Å; L485-L489 WeakPolarHBondContact O-CG 3.36Å; L485-L489 PolarHBondContact O-N 2.87Å; G487-L489 PolarHBondContact O-N 2.56Å; L489-T493 WeakPolarHBondContact O-CB 3.24Å; L489-T493 WeakPolarHBondContact O-CG2 3.44Å; L489-T493 PolarHBondContact O-N 2.77Å; L489-T493 PolarHBondContact O-OG1 3.33Å; L489-Y497 HydrophobicContact CB-CD2 4Å; L489-Y497 HydrophobicContact CB-CG 4.42Å; L489-Y497 HydrophobicContact CD1-CD1 4.31Å; L489-Y497 HydrophobicContact CD1-CD2 4.32Å; L489-Y497 HydrophobicContact CD1-CG 4Å; L489-L513 HydrophobicContact CD1-CB 4.49Å; L489-L513 HydrophobicContact CD1-CD2 4.32Å
490	K	94.3	Very high	95	Very high	73 Å²	73	54.7 Å²	54.7	32%	0.317	28%	0.279	S	S	.	.	H	α-helix	trans	-65.9	-43.5	176.3	179.6	61.5	176.2	-170.9	0	112	R486 G487 D494 L495 D496	R486-K490 WeakPolarHBondContact O-CB 3.21Å; R486-K490 PolarHBondContact O-N 3.29Å; G487-K490 WeakPolarHBondContact O-CB 3.15Å; G487-K490 PolarHBondContact O-N 2.94Å; G487-K490 VanDerWaalsContact O-N 3.1Å; K490-D494 PolarHBondContact NZ-O 2.7Å; K490-D494 WeakPolarHBondContact O-CA 3.34Å; K490-D494 PolarHBondContact O-N 2.84Å; K490-L495 WeakPolarHBondContact CD-O 3.21Å; K490-D496 VanDerWaalsContact CD-OD1 3.31Å; K490-D496 WeakPolarHBondContact CD-OD1 3.43Å; K490-D496 WeakPolarHBondContact CE-OD1 3.41Å; K490-D496 IonicContact NZ-OD1 3.1Å; K490-D496 PolarHBondContact NZ-OD1 3.31Å; K490-D496 IonicContact NZ-OD2 2.81Å; K490-D496 PolarHBondContact NZ-OD2 2.78Å
491	E	91.3	Very high	95	Very high	155 Å²	155	49.6 Å²	49.6	72%	0.724	26%	0.258	S	S	*	.	H	α-helix	trans	-65	-41	176.9	-71.5	178.8	-176.5	0	0	112.1	K305 G487	K305-E491 PolarHBondContact NZ-O 2.75Å; G487-E491 WeakPolarHBondContact O-CG 3.3Å; G487-E491 PolarHBondContact O-N 3.46Å
492	L	89.2	Confident	95	Very high	45 Å²	45	51.6 Å²	51.6	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-54	176.6	176.2	57.8	0	0	0	111.9	K305 T443 F446 T447 G488	K305-L492 PolarHBondContact NZ-O 2.81Å; T443-L492 HydrophobicContact CG2-CD1 4.05Å; F446-L492 HydrophobicContact CB-CD2 3.95Å; T447-L492 HydrophobicContact CG2-CD1 3.66Å; T447-L492 HydrophobicContact CG2-CD2 3.71Å; T447-L492 HydrophobicContact CG2-CG 4.35Å; G488-L492 VanDerWaalsContact O-CB 3.32Å; G488-L492 WeakPolarHBondContact O-CB 3.37Å; G488-L492 PolarHBondContact O-N 2.58Å
493	T	89.1	Confident	95.1	Very high	12 Å²	12	52.2 Å²	52.2	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-104.8	-13.2	-162.7	69.1	0	0	0	0	115.2	P463 L489 L495 Y497	P463-T493 HydrophobicContact CB-CG2 3.79Å; P463-T493 HydrophobicContact CG-CG2 4.03Å; L489-T493 WeakPolarHBondContact O-CB 3.24Å; L489-T493 WeakPolarHBondContact O-CG2 3.44Å; L489-T493 PolarHBondContact O-N 2.77Å; L489-T493 PolarHBondContact O-OG1 3.33Å; T493-L495 PolarHBondContact O-N 2.8Å; T493-L495 WeakPolarHBondContact OG1-CB 3.35Å; T493-L495 PolarHBondContact OG1-N 2.97Å; T493-Y497 HydrophobicContact CG2-CE2 4.05Å; T493-Y497 WeakPolarHBondContact OG1-CE2 3.35Å
494	D	90.8	Very high	95.1	Very high	66 Å²	66	50.6 Å²	50.6	35%	0.353	26%	0.264	S	S	.	.	S	Bend	trans	60.7	5	-163.1	-55.3	-27.4	0	0	0	115.6	K305 K490	K305-D494 WeakPolarHBondContact CD-OD2 3.44Å; K305-D494 WeakPolarHBondContact CE-OD1 3.34Å; K305-D494 WeakPolarHBondContact CE-OD2 3.48Å; K305-D494 VanDerWaalsContact CG-OD2 3.23Å; K305-D494 WeakPolarHBondContact CG-OD2 3.12Å; K305-D494 IonicContact NZ-OD1 3.57Å; K305-D494 PolarHBondContact NZ-OD1 2.9Å; K305-D494 IonicContact NZ-OD2 2.74Å; K305-D494 PolarHBondContact NZ-OD2 2.88Å; K490-D494 PolarHBondContact NZ-O 2.7Å; K490-D494 WeakPolarHBondContact O-CA 3.34Å; K490-D494 PolarHBondContact O-N 2.84Å
495	L	91.9	Very high	95.1	Very high	44 Å²	44	47.4 Å²	47.4	23%	0.23	25%	0.247	C	C	.	.			trans	-96.6	140.1	-179.5	-55.1	178.7	0	0	0	112.6	P463 K490 T493 Y497 K515	P463-L495 HydrophobicContact CB-CD1 4.15Å; P463-L495 HydrophobicContact CG-CD1 4.27Å; K490-L495 WeakPolarHBondContact CD-O 3.21Å; T493-L495 PolarHBondContact O-N 2.8Å; T493-L495 WeakPolarHBondContact OG1-CB 3.35Å; T493-L495 PolarHBondContact OG1-N 2.97Å; L495-Y497 HydrophobicContact CB-CD2 3.95Å; L495-Y497 HydrophobicContact CB-CE2 3.75Å; L495-Y497 HydrophobicContact CD1-CE2 4.05Å; L495-Y497 HydrophobicContact CG-CE2 4.45Å; L495-Y497 PolarHBondContact O-N 2.8Å; L495-Y497 VanDerWaalsContact O-N 3.12Å; L495-K515 HydrophobicContact CD1-CG 4.25Å
496	D	95.6	Very high	94.9	Very high	96 Å²	96	52.3 Å²	52.3	51%	0.513	27%	0.266	S	S	.	.			trans	-86.8	71.5	177.8	-57.6	-73.9	0	0	0	111.3	K490 R498 P516	K490-D496 VanDerWaalsContact CD-OD1 3.31Å; K490-D496 WeakPolarHBondContact CD-OD1 3.43Å; K490-D496 WeakPolarHBondContact CE-OD1 3.41Å; K490-D496 IonicContact NZ-OD1 3.1Å; K490-D496 PolarHBondContact NZ-OD1 3.31Å; K490-D496 IonicContact NZ-OD2 2.81Å; K490-D496 PolarHBondContact NZ-OD2 2.78Å; D496-R498 PolarHBondContact O-N 2.78Å; D496-P516 WeakPolarHBondContact O-CG 3.23Å
497	Y	97.7	Very high	94.8	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.012	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-50.3	135.4	-177.7	-86.1	-97.5	0	0	0	113.2	P463 H464 Y467 L489 T493 L495 L513 V514 K515	P463-Y497 VanDerWaalsContact CB-OH 3.23Å; P463-Y497 WeakPolarHBondContact CB-OH 3.42Å; H464-Y497 WeakPolarHBondContact O-CE1 3.21Å; H464-Y497 PolarHBondContact O-OH 2.94Å; Y467-Y497 HydrophobicContact CD2-CD1 4.16Å; Y467-Y497 AromaticContact CD2-CE1 3.59Å; Y467-Y497 HydrophobicContact CD2-CE1 3.59Å; Y467-Y497 AromaticContact CD2-CZ 3.99Å; Y467-Y497 AromaticContact CE2-CE1 3.8Å; Y467-Y497 HydrophobicContact CE2-CE1 3.8Å; Y467-Y497 HydrophobicContact CE2-CE2 4.43Å; Y467-Y497 AromaticContact CE2-CZ 3.69Å; L489-Y497 HydrophobicContact CB-CD2 4Å; L489-Y497 HydrophobicContact CB-CG 4.42Å; L489-Y497 HydrophobicContact CD1-CD1 4.31Å; L489-Y497 HydrophobicContact CD1-CD2 4.32Å; L489-Y497 HydrophobicContact CD1-CG 4Å; T493-Y497 HydrophobicContact CG2-CE2 4.05Å; T493-Y497 WeakPolarHBondContact OG1-CE2 3.35Å; L495-Y497 HydrophobicContact CB-CD2 3.95Å; L495-Y497 HydrophobicContact CB-CE2 3.75Å; L495-Y497 HydrophobicContact CD1-CE2 4.05Å; L495-Y497 HydrophobicContact CG-CE2 4.45Å; L495-Y497 PolarHBondContact O-N 2.8Å; L495-Y497 VanDerWaalsContact O-N 3.12Å; Y497-L513 HydrophobicContact CD1-CB 4.46Å; Y497-V514 WeakPolarHBondContact CA-O 3.27Å; Y497-V514 WeakPolarHBondContact CD1-O 3.36Å; Y497-K515 HydrophobicContact CE1-CB 4.48Å; Y497-K515 HydrophobicContact CE1-CG 3.78Å; Y497-K515 WeakPolarHBondContact OH-CG 3.38Å
498	R	97.8	Very high	95	Very high	98 Å²	98	48.7 Å²	48.7	37%	0.37	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.2	-174.4	-61.7	-59.7	-173.3	92	7.5	110.7	D496 I500 L513 V514 P516 E519	D496-R498 PolarHBondContact O-N 2.78Å; R498-I500 PolarHBondContact O-N 3.28Å; R498-L513 CarbonylContact O-C 3.49Å; R498-L513 VanDerWaalsContact O-CA 3.27Å; R498-L513 WeakPolarHBondContact O-CA 3.38Å; R498-V514 HydrophobicContact CB-CG1 4.09Å; R498-V514 PolarHBondContact N-O 3.01Å; R498-V514 PolarHBondContact O-N 2.87Å; R498-P516 HydrophobicContact CG-CB 4.43Å; R498-P516 HydrophobicContact CG-CG 4.32Å; R498-E519 WeakPolarHBondContact CD-OE1 3.4Å; R498-E519 VanDerWaalsContact CG-OE1 3.28Å; R498-E519 WeakPolarHBondContact CG-OE1 3.34Å; R498-E519 IonicContact CZ-OE1 3.48Å; R498-E519 IonicContact CZ-OE2 3.47Å; R498-E519 IonicContact NE-OE1 3.22Å; R498-E519 IonicContact NH1-OE1 2.84Å; R498-E519 PolarHBondContact NH1-OE1 2.84Å; R498-E519 IonicContact NH1-OE2 2.72Å; R498-E519 PolarHBondContact NH1-OE2 2.94Å; R498-E519 IonicContact NH2-OE2 3.35Å
499	P	98.1	Very high	95.2	Very high	57 Å²	57	48.4 Å²	48.4	37%	0.37	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126	172.9	29.2	-32.6	0	0	0	110.3	L482	L482-P499 HydrophobicContact CD1-CB 4.14Å; L482-P499 HydrophobicContact CD2-CB 4.03Å; L482-P499 HydrophobicContact CD2-CG 4.31Å
500	I	97.1	Very high	95.4	Very high	36 Å²	36	48.4 Å²	48.4	19%	0.185	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-46.2	173.1	-68.2	-52.6	0	0	0	110.5	R498 V512 V514 I522 V525 F548	R498-I500 PolarHBondContact O-N 3.28Å; I500-V512 HydrophobicContact CB-CB 4.39Å; I500-V512 HydrophobicContact CB-CG1 4.12Å; I500-V512 PolarHBondContact N-O 3.05Å; I500-V514 HydrophobicContact CD1-CB 4.5Å; I500-V514 HydrophobicContact CD1-CG1 3.62Å; I500-V514 HydrophobicContact CG1-CB 4.04Å; I500-V514 HydrophobicContact CG1-CG1 3.67Å; I500-I522 HydrophobicContact CD1-CB 4.07Å; I500-I522 HydrophobicContact CD1-CG1 3.81Å; I500-I522 HydrophobicContact CD1-CG2 4.04Å; I500-I522 HydrophobicContact CG1-CG1 4.2Å; I500-I522 HydrophobicContact CG1-CG2 4.37Å; I500-I522 HydrophobicContact CG2-CG2 3.82Å; I500-V525 HydrophobicContact CG2-CG1 4.02Å; I500-V525 HydrophobicContact CG2-CG2 3.85Å; I500-F548 HydrophobicContact CG2-CD1 4.23Å
501	A	97.8	Very high	95.6	Very high	15 Å²	15	45 Å²	45	12%	0.124	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156.6	175.3	0	0	0	0	0	111.1	V512 V525 T527 V546	A501-V512 PolarHBondContact O-N 3.4Å; A501-V525 HydrophobicContact CB-CG1 3.97Å; A501-T527 HydrophobicContact CB-CG2 3.82Å; A501-V546 HydrophobicContact CB-CG1 3.71Å; A501-V546 HydrophobicContact CB-CG2 3.92Å
502	M	97.3	Very high	96	Very high	45 Å²	45	37.6 Å²	37.6	22%	0.222	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.8	164	173.8	176.7	-91.4	0	0	107.9	D478 L482 V510 A511	D478-M502 HydrophobicContact CB-SD 3.73Å; L482-M502 HydrophobicContact CB-CE 3.76Å; L482-M502 HydrophobicContact CB-SD 4.4Å; L482-M502 HydrophobicContact CD1-CE 4.19Å; L482-M502 HydrophobicContact CG-CE 4.45Å; M502-V510 CarbonylContact C-O 3.56Å; M502-V510 VanDerWaalsContact CA-O 3.26Å; M502-V510 WeakPolarHBondContact CA-O 3.29Å; M502-V510 WeakPolarHBondContact CG-O 3.46Å; M502-A511 HydrophobicContact CE-CB 3.68Å
503	Q	98.1	Very high	96.4	Very high	43 Å²	43	35.5 Å²	35.5	20%	0.201	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.8	175.4	-178.1	64.8	63.8	0	0	109.6	K509 V510 T527 V544	Q503-K509 WeakPolarHBondContact O-CA 3.46Å; Q503-V510 HydrophobicContact CB-CG1 3.94Å; Q503-V510 PolarHBondContact N-O 2.8Å; Q503-V510 PolarHBondContact O-N 2.92Å; Q503-T527 HydrophobicContact CB-CG2 4.5Å; Q503-T527 VanDerWaalsContact OE1-CB 3.31Å; Q503-T527 PolarHBondContact OE1-OG1 3.48Å; Q503-V544 HydrophobicContact CB-CB 4.26Å; Q503-V544 HydrophobicContact CG-CB 3.85Å; Q503-V544 HydrophobicContact CG-CG1 3.94Å
504	S	97.4	Very high	96.9	Very high	39 Å²	39	35 Å²	35	27%	0.273	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.8	174.2	51.8	0	0	0	0	111.6	D478 I508	D478-S504 VanDerWaalsContact OD2-CB 3.23Å; D478-S504 WeakPolarHBondContact OD2-CB 3.41Å; D478-S504 PolarHBondContact OD2-OG 3.48Å; S504-I508 CarbonylContact C-O 3.59Å; S504-I508 WeakPolarHBondContact CA-O 3.34Å
505	L	95.2	Very high	97.1	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.099	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	101.5	167.6	178.1	63.3	0	0	0	107	N507 I508 V530 K531 V544	L505-N507 PolarHBondContact O-N 2.84Å; L505-I508 PolarHBondContact N-O 2.93Å; L505-I508 WeakPolarHBondContact O-CB 3.06Å; L505-I508 PolarHBondContact O-N 2.74Å; L505-V530 WeakPolarHBondContact CD2-O 3.1Å; L505-K531 HydrophobicContact CD1-CG 4.06Å; L505-K531 HydrophobicContact CD2-CG 4.12Å; L505-V544 HydrophobicContact CB-CG1 3.38Å
506	W	93.3	Very high	97.2	Very high	104 Å²	104	32.9 Å²	32.9	39%	0.394	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-122.1	-163.3	-54.8	-77.4	0	0	0	110.9	I508 K531 G539	W506-I508 VanDerWaalsContact C-N 3.34Å; W506-K531 HydrophobicContact CH2-CB 4.19Å; W506-K531 HydrophobicContact CH2-CD 3.53Å; W506-K531 VanDerWaalsContact CH2-CE 3.5Å; W506-K531 HydrophobicContact CH2-CG 3.58Å; W506-K531 HydrophobicContact CZ2-CD 4.16Å; W506-K531 HydrophobicContact CZ3-CB 4.36Å; W506-K531 HydrophobicContact CZ3-CD 4.25Å; W506-K531 HydrophobicContact CZ3-CG 3.79Å; W506-G539 WeakPolarHBondContact CH2-O 3.5Å; W506-G539 WeakPolarHBondContact CZ3-O 3.24Å
507	N	95.4	Very high	96.9	Very high	54 Å²	54	34 Å²	34	29%	0.289	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	7.3	-178.3	-61.6	-1.2	0	0	0	113.2	Q472 E473 N474 L505	Q472-N507 CarbonylContact C-O 3.48Å; E473-N507 PolarHBondContact N-O 2.88Å; E473-N507 VanDerWaalsContact N-O 3.13Å; N474-N507 PolarHBondContact N-O 2.86Å; L505-N507 PolarHBondContact O-N 2.84Å
508	I	98.3	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.8	173.8	-43.5	172.7	0	0	0	107.8	T471 S504 L505 W506 V544 H561	T471-I508 WeakPolarHBondContact O-CA 3.09Å; S504-I508 CarbonylContact C-O 3.59Å; S504-I508 WeakPolarHBondContact CA-O 3.34Å; L505-I508 PolarHBondContact N-O 2.93Å; L505-I508 WeakPolarHBondContact O-CB 3.06Å; L505-I508 PolarHBondContact O-N 2.74Å; W506-I508 VanDerWaalsContact C-N 3.34Å; I508-V544 HydrophobicContact CG2-CG2 4.02Å; I508-H561 HydrophobicContact CD1-CB 3.66Å; I508-H561 HydrophobicContact CG1-CB 3.86Å
509	K	98.6	Very high	96.5	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.057	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.6	-173.2	-45.5	-170.7	-176.3	-163.8	0	111.8	T471 N474 V476 D478 Q503 N559	T471-K509 PolarHBondContact N-O 3.43Å; T471-K509 PolarHBondContact O-N 2.89Å; T471-K509 PolarHBondContact OG1-O 3.15Å; N474-K509 HydrophobicContact CB-CD 4.24Å; N474-K509 HydrophobicContact CB-CG 4.39Å; N474-K509 WeakPolarHBondContact O-CE 3.47Å; V476-K509 PolarHBondContact O-NZ 2.73Å; D478-K509 WeakPolarHBondContact OD1-CD 3.49Å; D478-K509 WeakPolarHBondContact OD1-CE 3.25Å; D478-K509 IonicContact OD1-NZ 2.73Å; D478-K509 PolarHBondContact OD1-NZ 2.91Å; Q503-K509 WeakPolarHBondContact O-CA 3.46Å; K509-N559 PolarHBondContact O-ND2 3.49Å
510	V	98.8	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.1	170.3	63.7	0	0	0	0	109.9	V468 F469 M502 Q503 V544 V546 N559 F605	V468-V510 HydrophobicContact CG1-CG2 4Å; F469-V510 CarbonylContact O-C 3.59Å; F469-V510 VanDerWaalsContact O-CA 3.31Å; F469-V510 WeakPolarHBondContact O-CA 3.38Å; M502-V510 CarbonylContact C-O 3.56Å; M502-V510 VanDerWaalsContact CA-O 3.26Å; M502-V510 WeakPolarHBondContact CA-O 3.29Å; M502-V510 WeakPolarHBondContact CG-O 3.46Å; Q503-V510 HydrophobicContact CB-CG1 3.94Å; Q503-V510 PolarHBondContact N-O 2.8Å; Q503-V510 PolarHBondContact O-N 2.92Å; V510-V544 HydrophobicContact CB-CG2 3.86Å; V510-V544 HydrophobicContact CG1-CB 4Å; V510-V544 HydrophobicContact CG1-CG2 3.6Å; V510-V546 HydrophobicContact CG1-CG2 3.79Å; V510-N559 HydrophobicContact CB-CB 4.03Å; V510-N559 HydrophobicContact CG2-CB 4.42Å; V510-F605 HydrophobicContact CG2-CE2 4.49Å; V510-F605 HydrophobicContact CG2-CZ 4.24Å
511	A	98.8	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.6	172.6	0	0	0	0	0	110.2	V468 F469 L485 M502 L513	V468-A511 CarbonylContact C-O 3.56Å; V468-A511 WeakPolarHBondContact CA-O 3.49Å; F469-A511 PolarHBondContact N-O 2.85Å; F469-A511 PolarHBondContact O-N 2.92Å; L485-A511 HydrophobicContact CD1-CB 3.9Å; M502-A511 HydrophobicContact CE-CB 3.68Å; A511-L513 HydrophobicContact CB-CD1 4.06Å
512	V	98.8	Very high	95.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.6	173.7	179.7	0	0	0	0	109.2	I466 Y467 V468 I500 A501 V546 F548	I466-V512 HydrophobicContact CG2-CG1 3.9Å; Y467-V512 WeakPolarHBondContact O-CA 3.41Å; V468-V512 HydrophobicContact CG1-CG2 4.14Å; V468-V512 HydrophobicContact CG2-CG1 4.38Å; V468-V512 HydrophobicContact CG2-CG2 4.11Å; I500-V512 HydrophobicContact CB-CB 4.39Å; I500-V512 HydrophobicContact CB-CG1 4.12Å; I500-V512 PolarHBondContact N-O 3.05Å; A501-V512 PolarHBondContact O-N 3.4Å; V512-V546 HydrophobicContact CB-CG1 4.49Å; V512-V546 HydrophobicContact CG2-CB 3.96Å; V512-V546 HydrophobicContact CG2-CG1 3.79Å; V512-V546 HydrophobicContact CG2-CG2 4.17Å; V512-F548 HydrophobicContact CG1-CE1 3.8Å; V512-F548 HydrophobicContact CG1-CZ 4.21Å; V512-F548 HydrophobicContact CG2-CE1 4.49Å
513	L	98.7	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.6	177.9	-63.2	92.9	0	0	0	110.5	I466 Y467 F469 L482 L485 R486 L489 Y497 R498 A511	I466-L513 CarbonylContact C-O 3.56Å; I466-L513 WeakPolarHBondContact CA-O 3.25Å; Y467-L513 PolarHBondContact N-O 2.96Å; Y467-L513 PolarHBondContact O-N 2.9Å; F469-L513 HydrophobicContact CD2-CD1 3.85Å; F469-L513 HydrophobicContact CE2-CD1 4.01Å; L482-L513 HydrophobicContact CD1-CD1 4.25Å; L482-L513 HydrophobicContact CD1-CD2 4.12Å; L482-L513 HydrophobicContact CD1-CG 4.38Å; L485-L513 HydrophobicContact CD1-CD1 4.29Å; R486-L513 HydrophobicContact CG-CD2 3.5Å; L489-L513 HydrophobicContact CD1-CB 4.49Å; L489-L513 HydrophobicContact CD1-CD2 4.32Å; Y497-L513 HydrophobicContact CD1-CB 4.46Å; R498-L513 CarbonylContact O-C 3.49Å; R498-L513 VanDerWaalsContact O-CA 3.27Å; R498-L513 WeakPolarHBondContact O-CA 3.38Å; A511-L513 HydrophobicContact CB-CD1 4.06Å
514	V	98.4	Very high	95.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.3	-176.8	73.5	0	0	0	0	111.8	D465 I466 Y497 R498 I500 H518	D465-V514 WeakPolarHBondContact O-CA 3.47Å; D465-V514 WeakPolarHBondContact O-CG2 3.37Å; I466-V514 HydrophobicContact CG1-CG2 4.14Å; Y497-V514 WeakPolarHBondContact CA-O 3.27Å; Y497-V514 WeakPolarHBondContact CD1-O 3.36Å; R498-V514 HydrophobicContact CB-CG1 4.09Å; R498-V514 PolarHBondContact N-O 3.01Å; R498-V514 PolarHBondContact O-N 2.87Å; I500-V514 HydrophobicContact CD1-CB 4.5Å; I500-V514 HydrophobicContact CD1-CG1 3.62Å; I500-V514 HydrophobicContact CG1-CB 4.04Å; I500-V514 HydrophobicContact CG1-CG1 3.67Å; V514-H518 HydrophobicContact CG2-CB 3.79Å
515	K	96.1	Very high	95.7	Very high	20 Å²	20	44.3 Å²	44.3	9%	0.087	22%	0.221	C	C	.	.			trans	-57.4	141.4	166.3	-71	178.2	-179.5	165.8	0	110.7	P463 H464 D465 L495 Y497 E517 H518	P463-K515 WeakPolarHBondContact O-CE 3.34Å; P463-K515 PolarHBondContact O-NZ 2.84Å; H464-K515 WeakPolarHBondContact O-CE 3.2Å; D465-K515 PolarHBondContact O-N 3.08Å; D465-K515 WeakPolarHBondContact OD1-CD 3.41Å; D465-K515 WeakPolarHBondContact OD1-CE 3.5Å; D465-K515 IonicContact OD1-NZ 2.73Å; D465-K515 PolarHBondContact OD1-NZ 2.7Å; L495-K515 HydrophobicContact CD1-CG 4.25Å; Y497-K515 HydrophobicContact CE1-CB 4.48Å; Y497-K515 HydrophobicContact CE1-CG 3.78Å; Y497-K515 WeakPolarHBondContact OH-CG 3.38Å; K515-E517 HydrophobicContact CB-CG 4.03Å; K515-E517 HydrophobicContact CD-CG 4.47Å; K515-E517 PolarHBondContact O-N 3.06Å; K515-E517 VanDerWaalsContact O-N 3.09Å; K515-H518 PolarHBondContact O-N 2.86Å
516	P	94.4	Very high	95.7	Very high	46 Å²	46	44.9 Å²	44.9	30%	0.299	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-52.7	-33.4	177.5	-28.6	35.5	0	0	0	114.8	D496 R498 H518 E519	D496-P516 WeakPolarHBondContact O-CG 3.23Å; R498-P516 HydrophobicContact CG-CB 4.43Å; R498-P516 HydrophobicContact CG-CG 4.32Å; P516-H518 PolarHBondContact O-N 2.72Å; P516-E519 WeakPolarHBondContact O-CB 3.47Å; P516-E519 PolarHBondContact O-N 3.11Å
517	E	88.9	Confident	96	Very high	119 Å²	119	42.7 Å²	42.7	56%	0.556	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-69.6	-12.2	-179.1	67.6	-162.5	-147.4	0	0	115	K515 R521	K515-E517 HydrophobicContact CB-CG 4.03Å; K515-E517 HydrophobicContact CD-CG 4.47Å; K515-E517 PolarHBondContact O-N 3.06Å; K515-E517 VanDerWaalsContact O-N 3.09Å; E517-R521 PolarHBondContact O-NH1 3.41Å
518	H	94.1	Very high	96.1	Very high	15 Å²	15	40.7 Å²	40.7	7%	0.069	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-108.8	4.9	172.6	-41.5	-57.5	0	0	0	113.5	V514 K515 P516 N520 R521 I522 F550	V514-H518 HydrophobicContact CG2-CB 3.79Å; K515-H518 PolarHBondContact O-N 2.86Å; P516-H518 PolarHBondContact O-N 2.72Å; H518-N520 PolarHBondContact O-N 2.77Å; H518-R521 HydrophobicContact CB-CB 4.3Å; H518-R521 WeakPolarHBondContact CE1-CD 3.31Å; H518-R521 PolarHBondContact CE1-NE 2.79Å; H518-R521 PolarHBondContact CE1-NH1 2.94Å; H518-R521 PolarHBondContact ND1-NH1 3.46Å; H518-R521 WeakPolarHBondContact O-CA 3.46Å; H518-R521 WeakPolarHBondContact O-CB 3.2Å; H518-R521 PolarHBondContact O-N 3.03Å; H518-I522 PolarHBondContact O-N 2.78Å; H518-F550 HydrophobicContact CB-CE2 3.62Å; H518-F550 HydrophobicContact CB-CZ 4.01Å; H518-F550 AromaticContact CE1-CZ 3.92Å; H518-F550 AromaticContact CG-CE2 3.74Å; H518-F550 AromaticContact CG-CZ 3.84Å; H518-F550 AromaticContact ND1-CZ 3.85Å
519	E	93.3	Very high	96	Very high	70 Å²	70	43 Å²	43	33%	0.327	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-54.6	-41	-179.8	-173.4	168.1	-123.7	0	0	111.9	R498 P516 R521	R498-E519 WeakPolarHBondContact CD-OE1 3.4Å; R498-E519 VanDerWaalsContact CG-OE1 3.28Å; R498-E519 WeakPolarHBondContact CG-OE1 3.34Å; R498-E519 IonicContact CZ-OE1 3.48Å; R498-E519 IonicContact CZ-OE2 3.47Å; R498-E519 IonicContact NE-OE1 3.22Å; R498-E519 IonicContact NH1-OE1 2.84Å; R498-E519 PolarHBondContact NH1-OE1 2.84Å; R498-E519 IonicContact NH1-OE2 2.72Å; R498-E519 PolarHBondContact NH1-OE2 2.94Å; R498-E519 IonicContact NH2-OE2 3.35Å; P516-E519 WeakPolarHBondContact O-CB 3.47Å; P516-E519 PolarHBondContact O-N 3.11Å; E519-R521 VanDerWaalsContact C-N 3.27Å; E519-R521 PolarHBondContact O-N 3.49Å
520	N	91.4	Very high	95.8	Very high	154 Å²	154	42.9 Å²	42.9	82%	0.824	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-76.2	-5.6	176.4	-62	-32.2	0	0	0	114.9	H518	H518-N520 PolarHBondContact O-N 2.77Å
521	R	93.3	Very high	95.6	Very high	40 Å²	40	47.1 Å²	47.1	15%	0.151	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-95.6	-13.2	179.4	-63.6	176.8	166.4	116.7	-4.2	112.6	D419 E420 E517 H518 E519 F550 N551	D419-R521 PolarHBondContact O-NH2 3.27Å; E420-R521 VanDerWaalsContact CD-NH2 3.33Å; E420-R521 IonicContact OE1-CZ 3.41Å; E420-R521 IonicContact OE1-NE 3.58Å; E420-R521 PolarHBondContact OE1-NE 3.07Å; E420-R521 IonicContact OE1-NH2 3.28Å; E420-R521 PolarHBondContact OE1-NH2 3.44Å; E420-R521 IonicContact OE2-CZ 3.88Å; E420-R521 IonicContact OE2-NE 2.72Å; E420-R521 PolarHBondContact OE2-NE 3.02Å; E420-R521 IonicContact OE2-NH2 3.97Å; E420-R521 PolarHBondContact OE2-NH2 3.23Å; E517-R521 PolarHBondContact O-NH1 3.41Å; H518-R521 HydrophobicContact CB-CB 4.3Å; H518-R521 WeakPolarHBondContact CE1-CD 3.31Å; H518-R521 PolarHBondContact CE1-NE 2.79Å; H518-R521 PolarHBondContact CE1-NH1 2.94Å; H518-R521 PolarHBondContact ND1-NH1 3.46Å; H518-R521 WeakPolarHBondContact O-CA 3.46Å; H518-R521 WeakPolarHBondContact O-CB 3.2Å; H518-R521 PolarHBondContact O-N 3.03Å; E519-R521 VanDerWaalsContact C-N 3.27Å; E519-R521 PolarHBondContact O-N 3.49Å; R521-F550 HydrophobicContact CB-CE1 4.39Å; R521-F550 HydrophobicContact CB-CE2 4.45Å; R521-F550 HydrophobicContact CB-CZ 4.29Å; R521-N551 WeakPolarHBondContact CB-OD1 3.32Å; R521-N551 WeakPolarHBondContact CG-OD1 3.42Å; R521-N551 PolarHBondContact O-N 3.47Å
522	I	95.8	Very high	95	Very high	23 Å²	23	47.1 Å²	47.1	12%	0.118	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.9	178.7	-52.8	-54.1	0	0	0	109.7	I500 H518 V525 F548 M549 F550	I500-I522 HydrophobicContact CD1-CB 4.07Å; I500-I522 HydrophobicContact CD1-CG1 3.81Å; I500-I522 HydrophobicContact CD1-CG2 4.04Å; I500-I522 HydrophobicContact CG1-CG1 4.2Å; I500-I522 HydrophobicContact CG1-CG2 4.37Å; I500-I522 HydrophobicContact CG2-CG2 3.82Å; H518-I522 PolarHBondContact O-N 2.78Å; I522-V525 HydrophobicContact CG2-CG2 3.73Å; I522-F548 HydrophobicContact CD1-CD2 3.9Å; I522-F548 HydrophobicContact CD1-CE2 3.89Å; I522-F548 HydrophobicContact CG2-CB 3.92Å; I522-F548 HydrophobicContact CG2-CD2 3.99Å; I522-F548 HydrophobicContact CG2-CG 4.03Å; I522-M549 WeakPolarHBondContact CA-O 3.49Å; I522-F550 HydrophobicContact CD1-CB 4.26Å; I522-F550 HydrophobicContact CD1-CD2 3.55Å; I522-F550 HydrophobicContact CD1-CE2 4.32Å; I522-F550 HydrophobicContact CD1-CG 4.25Å
523	S	94.8	Very high	93.3	Very high	38 Å²	38	47.4 Å²	47.4	27%	0.266	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	173.2	173.2	67.6	0	0	0	0	111.2	V525 F548 M549	S523-V525 PolarHBondContact O-N 3.26Å; S523-F548 WeakPolarHBondContact O-CB 3.32Å; S523-M549 PolarHBondContact N-O 3.04Å; S523-M549 PolarHBondContact O-N 3.39Å
524	H	94.9	Very high	91.2	Very high	143 Å²	143	51.6 Å²	51.6	66%	0.662	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.7	38.6	174.9	-56.7	90.4	0	0	0	114.1	S526 M549	H524-S526 PolarHBondContact O-N 3.4Å; H524-M549 HydrophobicContact CB-CG 4.26Å
525	V	97.7	Very high	89	Confident	71 Å²	71	55.4 Å²	55.4	43%	0.43	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.8	179	-173.4	0	0	0	0	109.9	I500 A501 I522 S523 S547 F548	I500-V525 HydrophobicContact CG2-CG1 4.02Å; I500-V525 HydrophobicContact CG2-CG2 3.85Å; A501-V525 HydrophobicContact CB-CG1 3.97Å; I522-V525 HydrophobicContact CG2-CG2 3.73Å; S523-V525 PolarHBondContact O-N 3.26Å; V525-S547 CarbonylContact C-O 3.53Å; V525-S547 WeakPolarHBondContact CA-O 3.44Å; V525-F548 HydrophobicContact CG2-CB 4.1Å
526	S	97.1	Very high	87	Confident	30 Å²	30	57.3 Å²	57.3	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.1	-178.5	167	0	0	0	0	109.5	H524 V546 S547	H524-S526 PolarHBondContact O-N 3.4Å; S526-V546 CarbonylContact O-C 3.43Å; S526-V546 WeakPolarHBondContact O-CA 3.42Å; S526-S547 PolarHBondContact N-O 2.68Å; S526-S547 PolarHBondContact O-N 2.73Å
527	T	98.1	Very high	84.4	Confident	59 Å²	59	58.8 Å²	58.8	36%	0.362	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.5	174.1	71.6	0	0	0	0	110.4	A501 Q503 G545 V546	A501-T527 HydrophobicContact CB-CG2 3.82Å; Q503-T527 HydrophobicContact CB-CG2 4.5Å; Q503-T527 VanDerWaalsContact OE1-CB 3.31Å; Q503-T527 PolarHBondContact OE1-OG1 3.48Å; T527-G545 VanDerWaalsContact CA-O 3.32Å; T527-G545 WeakPolarHBondContact CA-O 3.24Å; T527-V546 HydrophobicContact CG2-CG2 4.11Å
528	S	97.4	Very high	82.5	Confident	11 Å²	11	58.6 Å²	58.6	8%	0.077	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	165.5	178.4	-171.5	0	0	0	0	110.9	V544 G545 S584	S528-V544 WeakPolarHBondContact O-CA 3.32Å; S528-G545 PolarHBondContact N-O 3.29Å; S528-G545 VanDerWaalsContact N-O 3.11Å; S528-G545 PolarHBondContact O-N 3.43Å; S528-S584 PolarHBondContact OG-N 3.22Å; S528-S584 VanDerWaalsContact OG-N 3.1Å; S528-S584 PolarHBondContact OG-OG 3.36Å
529	S	96.8	Very high	80.9	Confident	50 Å²	50	59.8 Å²	59.8	35%	0.35	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	141.2	177.9	67.2	0	0	0	0	111.8	A543	S529-A543 CarbonylContact C-O 3.56Å; S529-A543 WeakPolarHBondContact CA-O 3.4Å; S529-A543 WeakPolarHBondContact CB-O 3.47Å
530	V	95.5	Very high	80.3	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.3	178.9	176.4	0	0	0	0	109.5	L505 T532 G542 A543 I579 L582 L583	L505-V530 WeakPolarHBondContact CD2-O 3.1Å; V530-T532 HydrophobicContact CG1-CG2 3.97Å; V530-G542 CarbonylContact O-C 3.59Å; V530-G542 WeakPolarHBondContact O-CA 3.04Å; V530-A543 PolarHBondContact N-O 3.47Å; V530-A543 PolarHBondContact O-N 3.02Å; V530-I579 HydrophobicContact CB-CG1 4.34Å; V530-I579 HydrophobicContact CG1-CG1 4.31Å; V530-L582 HydrophobicContact CG1-CB 4.05Å; V530-L582 HydrophobicContact CG1-CD1 4.17Å; V530-L582 HydrophobicContact CG2-CB 3.75Å; V530-L583 HydrophobicContact CG2-CB 3.77Å; V530-L583 HydrophobicContact CG2-CD1 3.83Å; V530-L583 HydrophobicContact CG2-CG 4.43Å
531	K	92.8	Very high	80.4	Confident	89 Å²	89	53 Å²	53	39%	0.387	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.8	173.3	-63.8	179.5	169	-172.2	0	109.6	L505 W506 N536	L505-K531 HydrophobicContact CD1-CG 4.06Å; L505-K531 HydrophobicContact CD2-CG 4.12Å; W506-K531 HydrophobicContact CH2-CB 4.19Å; W506-K531 HydrophobicContact CH2-CD 3.53Å; W506-K531 VanDerWaalsContact CH2-CE 3.5Å; W506-K531 HydrophobicContact CH2-CG 3.58Å; W506-K531 HydrophobicContact CZ2-CD 4.16Å; W506-K531 HydrophobicContact CZ3-CB 4.36Å; W506-K531 HydrophobicContact CZ3-CD 4.25Å; W506-K531 HydrophobicContact CZ3-CG 3.79Å; K531-N536 WeakPolarHBondContact CB-O 3.32Å
532	T	86.1	Confident	80.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.302	C	S	.	.			trans	-134.1	14.8	-178.8	69.3	0	0	0	0	114	V530 K541 G542 R571 N575 D578 I579	V530-T532 HydrophobicContact CG1-CG2 3.97Å; T532-K541 PolarHBondContact N-O 3.08Å; T532-G542 WeakPolarHBondContact OG1-CA 3.37Å; T532-G542 PolarHBondContact OG1-N 3.32Å; T532-R571 PolarHBondContact O-NH2 3.12Å; T532-N575 WeakPolarHBondContact CB-ND2 3.35Å; T532-N575 HydrophobicContact CG2-CB 4.31Å; T532-N575 PolarHBondContact O-ND2 3.19Å; T532-N575 VanDerWaalsContact O-ND2 3.17Å; T532-D578 HydrophobicContact CG2-CB 3.97Å; T532-I579 HydrophobicContact CG2-CD1 4.21Å; T532-I579 HydrophobicContact CG2-CG1 3.79Å
533	G	64.9	Low	80.7	Confident	8 Å²	8	50 Å²	50	8%	0.082	30%	0.297	C	S	.	.	S	Bend	trans	-70.8	-158.6	174.6	0	0	0	0	0	113.6	A535 N536 L538 K541 R571	G533-A535 PolarHBondContact O-N 3.49Å; G533-N536 PolarHBondContact O-N 3.12Å; G533-N536 VanDerWaalsContact O-N 3.08Å; G533-N536 PolarHBondContact O-OD1 3.26Å; G533-L538 CarbonylContact C-O 3.22Å; G533-L538 VanDerWaalsContact CA-O 3.24Å; G533-L538 WeakPolarHBondContact CA-O 3.42Å; G533-K541 PolarHBondContact N-O 3.11Å; G533-R571 PolarHBondContact O-NH2 2.75Å
534	I	53.5	Low	80.8	Confident	88 Å²	88	48.2 Å²	48.2	45%	0.451	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-61.5	134.6	179.3	-55.9	174.2	0	0	0	108.9	N536 T537 L538	I534-N536 PolarHBondContact O-N 3.36Å; I534-T537 PolarHBondContact O-N 2.79Å; I534-L538 HydrophobicContact CB-CB 4.2Å; I534-L538 PolarHBondContact N-O 2.99Å; I534-L538 PolarHBondContact O-N 2.92Å
535	A	52.8	Low	81	Confident	81 Å²	81	41.4 Å²	41.4	67%	0.669	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	29.8	-172.7	0	0	0	0	0	114.2	G533 T537	G533-A535 PolarHBondContact O-N 3.49Å; A535-T537 WeakPolarHBondContact O-CG2 3.44Å; A535-T537 PolarHBondContact O-N 3.37Å; A535-T537 PolarHBondContact O-OG1 3.1Å
536	N	52.8	Low	81.1	Confident	59 Å²	59	38 Å²	38	32%	0.316	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	22.2	-172.6	-66.2	-3.9	0	0	0	114.9	K531 G533 I534 R571	K531-N536 WeakPolarHBondContact CB-O 3.32Å; G533-N536 PolarHBondContact O-N 3.12Å; G533-N536 VanDerWaalsContact O-N 3.08Å; G533-N536 PolarHBondContact O-OD1 3.26Å; I534-N536 PolarHBondContact O-N 3.36Å; N536-R571 PolarHBondContact OD1-NH2 3.18Å; N536-R571 VanDerWaalsContact OD1-NH2 3.11Å
537	T	41.1	Very low	81.1	Confident	78 Å²	78	36.7 Å²	36.7	48%	0.479	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-35.1	-171.5	45.3	0	0	0	0	113.5	I534 A535	I534-T537 PolarHBondContact O-N 2.79Å; A535-T537 WeakPolarHBondContact O-CG2 3.44Å; A535-T537 PolarHBondContact O-N 3.37Å; A535-T537 PolarHBondContact O-OG1 3.1Å
538	L	48.3	Very low	81.1	Confident	115 Å²	115	34.1 Å²	34.1	60%	0.602	21%	0.206	S	C	*	.	B	Isolated β-bridge	trans	-100.9	138	179.5	-95.2	65.4	0	0	0	112.6	G533 I534	G533-L538 CarbonylContact C-O 3.22Å; G533-L538 VanDerWaalsContact CA-O 3.24Å; G533-L538 WeakPolarHBondContact CA-O 3.42Å; I534-L538 HydrophobicContact CB-CB 4.2Å; I534-L538 PolarHBondContact N-O 2.99Å; I534-L538 PolarHBondContact O-N 2.92Å
539	G	60.7	Low	81.1	Confident	40 Å²	40	35.7 Å²	35.7	41%	0.412	21%	0.213	S	C	.	.	S	Bend	trans	99.4	158.9	168.6	0	0	0	0	0	116.1	W506 K541	W506-G539 WeakPolarHBondContact CH2-O 3.5Å; W506-G539 WeakPolarHBondContact CZ3-O 3.24Å; G539-K541 PolarHBondContact O-N 2.87Å
540	N	81.4	Confident	81	Confident	62 Å²	62	33.3 Å²	33.3	33%	0.332	20%	0.196	S	C	.	.	S	Bend	trans	-77	43.3	-171.8	65.7	-17	0	0	0	114.8	E473	E473-N540 PolarHBondContact OE1-ND2 3.1Å
541	K	93.1	Very high	80.9	Confident	20 Å²	20	33.1 Å²	33.1	9%	0.087	20%	0.195	C	C	.	.			trans	-132.2	138.2	-173	-63.4	-68.3	174.1	-77.9	0	112.3	T532 G533 G539 H561 L562	T532-K541 PolarHBondContact N-O 3.08Å; G533-K541 PolarHBondContact N-O 3.11Å; G539-K541 PolarHBondContact O-N 2.87Å; K541-H561 HydrophobicContact CD-CB 4.45Å; K541-H561 VanDerWaalsContact CD-O 3.23Å; K541-H561 WeakPolarHBondContact CD-O 3.26Å; K541-H561 VanDerWaalsContact CE-CD2 3.46Å; K541-H561 WeakPolarHBondContact CE-CD2 3.49Å; K541-H561 VanDerWaalsContact CE-NE2 3.3Å; K541-H561 WeakPolarHBondContact CE-NE2 3.49Å; K541-H561 PolarHBondContact NZ-CE1 2.93Å; K541-H561 PolarHBondContact NZ-NE2 2.88Å; K541-L562 WeakPolarHBondContact CD-O 3.49Å; K541-L562 WeakPolarHBondContact CE-O 3.22Å
542	G	95.6	Very high	80.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	-158.9	-173.1	0	0	0	0	0	113.5	V530 T532 C560 H561	V530-G542 CarbonylContact O-C 3.59Å; V530-G542 WeakPolarHBondContact O-CA 3.04Å; T532-G542 WeakPolarHBondContact OG1-CA 3.37Å; T532-G542 PolarHBondContact OG1-N 3.32Å; G542-C560 VanDerWaalsContact O-CA 3.27Å; G542-C560 WeakPolarHBondContact O-CA 3.5Å; G542-C560 VanDerWaalsContact O-CB 3.23Å; G542-C560 WeakPolarHBondContact O-CB 3.43Å; G542-H561 PolarHBondContact N-O 3.16Å; G542-H561 VanDerWaalsContact N-O 3.13Å; G542-H561 PolarHBondContact O-N 3.34Å
543	A	98.5	Very high	81.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.2	177.7	0	0	0	0	0	112.8	S529 V530 V558 N559 C560 I579	S529-A543 CarbonylContact C-O 3.56Å; S529-A543 WeakPolarHBondContact CA-O 3.4Å; S529-A543 WeakPolarHBondContact CB-O 3.47Å; V530-A543 PolarHBondContact N-O 3.47Å; V530-A543 PolarHBondContact O-N 3.02Å; A543-V558 HydrophobicContact CB-CG1 4.11Å; A543-N559 CarbonylContact C-O 3.55Å; A543-N559 VanDerWaalsContact CA-O 3.29Å; A543-N559 WeakPolarHBondContact CA-O 3.38Å; A543-C560 HydrophobicContact CB-CB 3.75Å; A543-I579 HydrophobicContact CB-CB 4.35Å; A543-I579 HydrophobicContact CB-CD1 3.74Å; A543-I579 HydrophobicContact CB-CG1 3.74Å; A543-I579 HydrophobicContact CB-CG2 3.6Å
544	V	98.6	Very high	82.7	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.2	164.3	-67.5	0	0	0	0	108.3	Q503 L505 I508 V510 S528 N559	Q503-V544 HydrophobicContact CB-CB 4.26Å; Q503-V544 HydrophobicContact CG-CB 3.85Å; Q503-V544 HydrophobicContact CG-CG1 3.94Å; L505-V544 HydrophobicContact CB-CG1 3.38Å; I508-V544 HydrophobicContact CG2-CG2 4.02Å; V510-V544 HydrophobicContact CB-CG2 3.86Å; V510-V544 HydrophobicContact CG1-CB 4Å; V510-V544 HydrophobicContact CG1-CG2 3.6Å; S528-V544 WeakPolarHBondContact O-CA 3.32Å; V544-N559 HydrophobicContact CG2-CB 3.98Å; V544-N559 PolarHBondContact N-O 2.83Å; V544-N559 PolarHBondContact O-N 2.93Å; V544-N559 VanDerWaalsContact O-O 3.05Å
545	G	98.6	Very high	84.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164	176.5	0	0	0	0	0	114.3	T527 S528 F557	T527-G545 VanDerWaalsContact CA-O 3.32Å; T527-G545 WeakPolarHBondContact CA-O 3.24Å; S528-G545 PolarHBondContact N-O 3.29Å; S528-G545 VanDerWaalsContact N-O 3.11Å; S528-G545 PolarHBondContact O-N 3.43Å; G545-F557 CarbonylContact C-O 3.58Å; G545-F557 WeakPolarHBondContact CA-O 3.3Å
546	V	98.8	Very high	87	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.5	-179.2	176	0	0	0	0	107.6	A501 V510 V512 S526 T527 F548 F557	A501-V546 HydrophobicContact CB-CG1 3.71Å; A501-V546 HydrophobicContact CB-CG2 3.92Å; V510-V546 HydrophobicContact CG1-CG2 3.79Å; V512-V546 HydrophobicContact CB-CG1 4.49Å; V512-V546 HydrophobicContact CG2-CB 3.96Å; V512-V546 HydrophobicContact CG2-CG1 3.79Å; V512-V546 HydrophobicContact CG2-CG2 4.17Å; S526-V546 CarbonylContact O-C 3.43Å; S526-V546 WeakPolarHBondContact O-CA 3.42Å; T527-V546 HydrophobicContact CG2-CG2 4.11Å; V546-F548 HydrophobicContact CG1-CD1 4.11Å; V546-F548 HydrophobicContact CG1-CE1 4.45Å; V546-F557 PolarHBondContact N-O 2.89Å; V546-F557 PolarHBondContact O-N 3.5Å
547	S	98.5	Very high	89.2	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.7	166.8	59.3	0	0	0	0	111.3	V525 S526 F555 G586	V525-S547 CarbonylContact C-O 3.53Å; V525-S547 WeakPolarHBondContact CA-O 3.44Å; S526-S547 PolarHBondContact N-O 2.68Å; S526-S547 PolarHBondContact O-N 2.73Å; S547-F555 CarbonylContact C-O 3.54Å; S547-F555 WeakPolarHBondContact CA-O 3.23Å; S547-F555 WeakPolarHBondContact CB-O 3.41Å; S547-G586 PolarHBondContact OG-N 2.99Å
548	F	98.1	Very high	92	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.026	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	167.9	174.9	53.2	-90.5	0	0	0	110	I466 I500 V512 I522 S523 V525 V546 F550 F555 F557	I466-F548 HydrophobicContact CD1-CE2 4Å; I466-F548 HydrophobicContact CD1-CZ 3.94Å; I500-F548 HydrophobicContact CG2-CD1 4.23Å; V512-F548 HydrophobicContact CG1-CE1 3.8Å; V512-F548 HydrophobicContact CG1-CZ 4.21Å; V512-F548 HydrophobicContact CG2-CE1 4.49Å; I522-F548 HydrophobicContact CD1-CD2 3.9Å; I522-F548 HydrophobicContact CD1-CE2 3.89Å; I522-F548 HydrophobicContact CG2-CB 3.92Å; I522-F548 HydrophobicContact CG2-CD2 3.99Å; I522-F548 HydrophobicContact CG2-CG 4.03Å; S523-F548 WeakPolarHBondContact O-CB 3.32Å; V525-F548 HydrophobicContact CG2-CB 4.1Å; V546-F548 HydrophobicContact CG1-CD1 4.11Å; V546-F548 HydrophobicContact CG1-CE1 4.45Å; F548-F550 HydrophobicContact CE2-CB 4.41Å; F548-F555 HydrophobicContact CD2-CB 4.5Å; F548-F555 HydrophobicContact CE2-CB 4.14Å; F548-F555 HydrophobicContact CE2-CD2 4.29Å; F548-F555 HydrophobicContact CE2-CG 4.41Å; F548-F555 HydrophobicContact CZ-CB 4.22Å; F548-F555 PolarHBondContact N-O 3.12Å; F548-F555 PolarHBondContact O-N 3.11Å; F548-F557 AromaticContact CE1-CD2 3.92Å; F548-F557 HydrophobicContact CE1-CD2 3.92Å; F548-F557 AromaticContact CE1-CE2 3.5Å; F548-F557 HydrophobicContact CE1-CE2 3.5Å; F548-F557 VanDerWaalsContact CE1-CE2 3.5Å; F548-F557 HydrophobicContact CZ-CD2 4.43Å; F548-F557 AromaticContact CZ-CE2 3.56Å; F548-F557 HydrophobicContact CZ-CE2 3.56Å; F548-F557 HydrophobicContact CZ-CZ 4.33Å
549	M	96.4	Very high	94.4	Very high	43 Å²	43	11 Å²	11	21%	0.212	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.4	163.5	-64.6	-176.8	73.3	0	0	109.7	I522 S523 H524 T553	I522-M549 WeakPolarHBondContact CA-O 3.49Å; S523-M549 PolarHBondContact N-O 3.04Å; S523-M549 PolarHBondContact O-N 3.39Å; H524-M549 HydrophobicContact CB-CG 4.26Å; M549-T553 CarbonylContact C-O 3.54Å; M549-T553 WeakPolarHBondContact CA-O 3.3Å
550	F	95.9	Very high	96.2	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.8	160.6	-173.7	-70.4	0	0	0	106.3	P421 I424 I466 H518 R521 I522 F548 G552 T553 F555 V729	P421-F550 HydrophobicContact CG-CE1 4.06Å; P421-F550 HydrophobicContact CG-CZ 4.21Å; I424-F550 HydrophobicContact CD1-CD2 3.99Å; I424-F550 HydrophobicContact CD1-CE2 4.18Å; I424-F550 HydrophobicContact CD1-CG 4.19Å; I424-F550 HydrophobicContact CG2-CE1 4.01Å; I424-F550 HydrophobicContact CG2-CE2 4.03Å; I424-F550 HydrophobicContact CG2-CZ 3.61Å; I466-F550 HydrophobicContact CD1-CD2 4.13Å; H518-F550 HydrophobicContact CB-CE2 3.62Å; H518-F550 HydrophobicContact CB-CZ 4.01Å; H518-F550 AromaticContact CE1-CZ 3.92Å; H518-F550 AromaticContact CG-CE2 3.74Å; H518-F550 AromaticContact CG-CZ 3.84Å; H518-F550 AromaticContact ND1-CZ 3.85Å; R521-F550 HydrophobicContact CB-CE1 4.39Å; R521-F550 HydrophobicContact CB-CE2 4.45Å; R521-F550 HydrophobicContact CB-CZ 4.29Å; I522-F550 HydrophobicContact CD1-CB 4.26Å; I522-F550 HydrophobicContact CD1-CD2 3.55Å; I522-F550 HydrophobicContact CD1-CE2 4.32Å; I522-F550 HydrophobicContact CD1-CG 4.25Å; F548-F550 HydrophobicContact CE2-CB 4.41Å; F550-G552 PolarHBondContact O-N 2.83Å; F550-T553 PolarHBondContact N-O 3.42Å; F550-T553 PolarHBondContact O-N 3.2Å; F550-F555 HydrophobicContact CB-CD2 4.02Å; F550-F555 HydrophobicContact CB-CE2 3.86Å; F550-V729 HydrophobicContact CD1-CB 4.26Å; F550-V729 HydrophobicContact CD1-CG1 4.15Å; F550-V729 HydrophobicContact CD1-CG2 4.35Å; F550-V729 HydrophobicContact CE1-CG2 4.17Å
551	N	92.4	Very high	97	Very high	5 Å²	5	6.5 Å²	6.5	3%	0.027	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-121.4	-169.7	-68.8	-22.1	0	0	0	112	E420 R521 T730 Q732	E420-N551 PolarHBondContact OE2-ND2 3.43Å; R521-N551 WeakPolarHBondContact CB-OD1 3.32Å; R521-N551 WeakPolarHBondContact CG-OD1 3.42Å; R521-N551 PolarHBondContact O-N 3.47Å; N551-T730 WeakPolarHBondContact CB-O 3.3Å; N551-Q732 HydrophobicContact CB-CG 3.68Å; N551-Q732 PolarHBondContact OD1-NE2 2.91Å
552	G	88.1	Confident	97.1	Very high	29 Å²	29	5.5 Å²	5.5	30%	0.299	4%	0.037	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.2	178.1	0	0	0	0	0	114.9	F550 T730	F550-G552 PolarHBondContact O-N 2.83Å; G552-T730 VanDerWaalsContact CA-OG1 3.27Å; G552-T730 WeakPolarHBondContact CA-OG1 3.45Å; G552-T730 PolarHBondContact N-O 3.07Å; G552-T730 PolarHBondContact O-OG1 2.58Å
553	T	95.9	Very high	97.1	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.012	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.2	-172.9	-52.5	0	0	0	0	110.8	M549 F550 F555 T600 V729 T730	M549-T553 CarbonylContact C-O 3.54Å; M549-T553 WeakPolarHBondContact CA-O 3.3Å; F550-T553 PolarHBondContact N-O 3.42Å; F550-T553 PolarHBondContact O-N 3.2Å; T553-F555 HydrophobicContact CG2-CD2 4.28Å; T553-F555 HydrophobicContact CG2-CE2 3.54Å; T553-F555 HydrophobicContact CG2-CZ 3.87Å; T553-T600 HydrophobicContact CG2-CG2 3.97Å; T553-V729 HydrophobicContact CG2-CG1 4.19Å; T553-V729 WeakPolarHBondContact OG1-CA 3.18Å; T553-T730 PolarHBondContact N-OG1 2.83Å; T553-T730 PolarHBondContact OG1-N 3.17Å; T553-T730 PolarHBondContact OG1-OG1 3.41Å
554	S	97.3	Very high	96.7	Very high	22 Å²	22	9.6 Å²	9.6	15%	0.154	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.3	-178.5	61.5	0	0	0	0	112.4	F599 T600 H601	S554-F599 WeakPolarHBondContact OG-CA 3.34Å; S554-T600 PolarHBondContact N-OG1 2.85Å; S554-T600 VanDerWaalsContact N-OG1 3.15Å; S554-T600 WeakPolarHBondContact O-CB 3.32Å; S554-T600 PolarHBondContact O-N 3.49Å; S554-T600 PolarHBondContact OG-N 2.96Å; S554-T600 PolarHBondContact OG-OG1 2.81Å; S554-H601 PolarHBondContact O-N 2.98Å; S554-H601 VanDerWaalsContact O-N 3.11Å
555	F	98.7	Very high	96.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.7	-177.2	-73.8	-87.6	0	0	0	111.1	I424 I426 S547 F548 F550 T553 F557 H601 F603 V727 V729	I424-F555 HydrophobicContact CD1-CE2 4.32Å; I424-F555 HydrophobicContact CD1-CZ 4.04Å; I426-F555 HydrophobicContact CD1-CD1 3.9Å; I426-F555 HydrophobicContact CD1-CE1 3.37Å; I426-F555 HydrophobicContact CD1-CZ 4.01Å; S547-F555 CarbonylContact C-O 3.54Å; S547-F555 WeakPolarHBondContact CA-O 3.23Å; S547-F555 WeakPolarHBondContact CB-O 3.41Å; F548-F555 HydrophobicContact CD2-CB 4.5Å; F548-F555 HydrophobicContact CE2-CB 4.14Å; F548-F555 HydrophobicContact CE2-CD2 4.29Å; F548-F555 HydrophobicContact CE2-CG 4.41Å; F548-F555 HydrophobicContact CZ-CB 4.22Å; F548-F555 PolarHBondContact N-O 3.12Å; F548-F555 PolarHBondContact O-N 3.11Å; F550-F555 HydrophobicContact CB-CD2 4.02Å; F550-F555 HydrophobicContact CB-CE2 3.86Å; T553-F555 HydrophobicContact CG2-CD2 4.28Å; T553-F555 HydrophobicContact CG2-CE2 3.54Å; T553-F555 HydrophobicContact CG2-CZ 3.87Å; F555-F557 HydrophobicContact CB-CE2 3.68Å; F555-F557 HydrophobicContact CB-CZ 4.15Å; F555-F557 HydrophobicContact CD1-CE2 4.45Å; F555-F557 HydrophobicContact CD1-CZ 4.06Å; F555-F557 HydrophobicContact CG-CE2 4.41Å; F555-F557 HydrophobicContact CG-CZ 4.44Å; F555-H601 WeakPolarHBondContact CA-O 3.49Å; F555-H601 HydrophobicContact CD1-CB 3.89Å; F555-H601 HydrophobicContact CE1-CB 3.85Å; F555-H601 AromaticContact CE1-CD2 3.8Å; F555-H601 AromaticContact CZ-CD2 3.94Å; F555-F603 HydrophobicContact CD1-CE2 4.16Å; F555-F603 HydrophobicContact CE1-CE2 4.34Å; F555-V727 HydrophobicContact CE1-CG1 3.91Å; F555-V727 HydrophobicContact CZ-CG1 3.88Å; F555-V729 HydrophobicContact CE2-CG1 3.93Å; F555-V729 HydrophobicContact CZ-CG1 3.87Å
556	G	98.6	Very high	95.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.6	169.8	0	0	0	0	0	111.3	H601 L602 F603	G556-H601 PolarHBondContact N-O 3.44Å; G556-L602 WeakPolarHBondContact O-CA 3.32Å; G556-F603 PolarHBondContact O-N 2.98Å
557	F	98.9	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123	179	-60.2	-83.6	0	0	0	109.5	I426 I428 V468 G545 V546 F548 F555 F603 F605	I426-F557 HydrophobicContact CD1-CZ 4.41Å; I426-F557 HydrophobicContact CG2-CE1 4.11Å; I426-F557 HydrophobicContact CG2-CZ 4.28Å; I428-F557 HydrophobicContact CD1-CD1 4.14Å; I428-F557 HydrophobicContact CD1-CE1 4.02Å; I428-F557 HydrophobicContact CG1-CE1 4.5Å; V468-F557 HydrophobicContact CB-CD1 4.29Å; V468-F557 HydrophobicContact CG1-CB 4.21Å; V468-F557 HydrophobicContact CG1-CD1 4.02Å; V468-F557 HydrophobicContact CG1-CG 4.16Å; V468-F557 HydrophobicContact CG2-CD1 3.78Å; V468-F557 HydrophobicContact CG2-CD2 4.48Å; V468-F557 HydrophobicContact CG2-CE1 3.69Å; V468-F557 HydrophobicContact CG2-CE2 4.4Å; V468-F557 HydrophobicContact CG2-CG 4.19Å; V468-F557 HydrophobicContact CG2-CZ 4.02Å; G545-F557 CarbonylContact C-O 3.58Å; G545-F557 WeakPolarHBondContact CA-O 3.3Å; V546-F557 PolarHBondContact N-O 2.89Å; V546-F557 PolarHBondContact O-N 3.5Å; F548-F557 AromaticContact CE1-CD2 3.92Å; F548-F557 HydrophobicContact CE1-CD2 3.92Å; F548-F557 AromaticContact CE1-CE2 3.5Å; F548-F557 HydrophobicContact CE1-CE2 3.5Å; F548-F557 VanDerWaalsContact CE1-CE2 3.5Å; F548-F557 HydrophobicContact CZ-CD2 4.43Å; F548-F557 AromaticContact CZ-CE2 3.56Å; F548-F557 HydrophobicContact CZ-CE2 3.56Å; F548-F557 HydrophobicContact CZ-CZ 4.33Å; F555-F557 HydrophobicContact CB-CE2 3.68Å; F555-F557 HydrophobicContact CB-CZ 4.15Å; F555-F557 HydrophobicContact CD1-CE2 4.45Å; F555-F557 HydrophobicContact CD1-CZ 4.06Å; F555-F557 HydrophobicContact CG-CE2 4.41Å; F555-F557 HydrophobicContact CG-CZ 4.44Å; F557-F603 CarbonylContact C-O 3.55Å; F557-F603 WeakPolarHBondContact CA-O 3.15Å; F557-F603 HydrophobicContact CD1-CB 3.87Å; F557-F603 AromaticContact CD1-CD2 3.86Å; F557-F603 HydrophobicContact CD1-CD2 3.86Å; F557-F603 HydrophobicContact CD1-CG 4.18Å; F557-F603 HydrophobicContact CE1-CB 4.23Å; F557-F603 AromaticContact CE1-CD2 3.37Å; F557-F603 HydrophobicContact CE1-CD2 3.37Å; F557-F603 AromaticContact CE1-CE2 3.97Å; F557-F603 HydrophobicContact CE1-CE2 3.97Å; F557-F603 HydrophobicContact CE1-CG 4.02Å; F557-F603 HydrophobicContact CZ-CD2 4.05Å; F557-F603 HydrophobicContact CZ-CE2 4.36Å; F557-F605 HydrophobicContact CB-CE1 3.98Å; F557-F605 HydrophobicContact CB-CZ 4.13Å; F557-F605 HydrophobicContact CD1-CE1 4.17Å
558	V	98.9	Very high	94.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.8	-179.6	-175.9	0	0	0	0	109.2	A543 I579 L583 L585 I595 L602 F603 W604 F605	A543-V558 HydrophobicContact CB-CG1 4.11Å; V558-I579 HydrophobicContact CG1-CG2 4.1Å; V558-L583 HydrophobicContact CB-CD2 4.33Å; V558-L583 HydrophobicContact CG1-CD2 3.83Å; V558-L583 HydrophobicContact CG2-CD2 3.59Å; V558-L585 HydrophobicContact CG2-CD1 4.44Å; V558-I595 HydrophobicContact CG2-CD1 4.08Å; V558-L602 HydrophobicContact CG2-CD1 3.96Å; V558-F603 PolarHBondContact N-O 2.88Å; V558-W604 HydrophobicContact CB-CB 4.39Å; V558-W604 HydrophobicContact CB-CD2 4.11Å; V558-W604 HydrophobicContact CB-CG 3.95Å; V558-W604 HydrophobicContact CG1-CD2 3.99Å; V558-W604 HydrophobicContact CG1-CG 4.14Å; V558-W604 HydrophobicContact CG1-CZ2 4.37Å; V558-W604 WeakPolarHBondContact O-CA 3.27Å; V558-F605 WeakPolarHBondContact O-CD1 3.28Å; V558-F605 WeakPolarHBondContact O-CE1 3.46Å; V558-F605 PolarHBondContact O-N 2.95Å; V558-F605 VanDerWaalsContact O-O 3.09Å
559	N	98.9	Very high	94.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.5	170.2	174.4	31.6	0	0	0	109.5	G470 T471 Q472 K509 V510 A543 V544 F605	G470-N559 WeakPolarHBondContact CA-ND2 3.5Å; T471-N559 PolarHBondContact N-ND2 2.9Å; T471-N559 VanDerWaalsContact N-ND2 3.18Å; T471-N559 PolarHBondContact O-ND2 2.88Å; Q472-N559 PolarHBondContact NE2-OD1 3.5Å; K509-N559 PolarHBondContact O-ND2 3.49Å; V510-N559 HydrophobicContact CB-CB 4.03Å; V510-N559 HydrophobicContact CG2-CB 4.42Å; A543-N559 CarbonylContact C-O 3.55Å; A543-N559 VanDerWaalsContact CA-O 3.29Å; A543-N559 WeakPolarHBondContact CA-O 3.38Å; V544-N559 HydrophobicContact CG2-CB 3.98Å; V544-N559 PolarHBondContact N-O 2.83Å; V544-N559 PolarHBondContact O-N 2.93Å; V544-N559 VanDerWaalsContact O-O 3.05Å; N559-F605 VanDerWaalsContact CA-O 3.29Å; N559-F605 WeakPolarHBondContact CA-O 3.49Å; N559-F605 HydrophobicContact CB-CD2 4.12Å; N559-F605 HydrophobicContact CB-CE2 3.7Å; N559-F605 HydrophobicContact CB-CZ 4.31Å
560	C	98.6	Very high	94	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	165.8	176.7	63.4	0	0	0	0	115.1	Q472 G542 A543 L562 I579 W604 F605 G606 D607 L608	Q472-C560 WeakPolarHBondContact CG-O 3.41Å; G542-C560 VanDerWaalsContact O-CA 3.27Å; G542-C560 WeakPolarHBondContact O-CA 3.5Å; G542-C560 VanDerWaalsContact O-CB 3.23Å; G542-C560 WeakPolarHBondContact O-CB 3.43Å; A543-C560 HydrophobicContact CB-CB 3.75Å; C560-L562 HydrophobicContact CB-CD2 3.96Å; C560-I579 HydrophobicContact CB-CD1 4.03Å; C560-W604 PolarHBondContact SG-NE1 2.95Å; C560-F605 PolarHBondContact N-O 2.88Å; C560-G606 VanDerWaalsContact O-CA 3.27Å; C560-G606 WeakPolarHBondContact O-CA 3.35Å; C560-D607 PolarHBondContact O-N 3.36Å; C560-L608 WeakPolarHBondContact SG-CD2 3.35Å
561	H	98.3	Very high	93.9	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.037	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	103.1	167	-171.8	173.8	0	0	0	106.7	Q472 E473 I508 K541 G542 D607	Q472-H561 HydrophobicContact CB-CB 4.11Å; Q472-H561 HydrophobicContact CG-CB 3.91Å; E473-H561 IonicContact OE1-CE1 3.24Å; E473-H561 PolarHBondContact OE1-CE1 3.26Å; E473-H561 IonicContact OE1-ND1 3.7Å; E473-H561 PolarHBondContact OE1-ND1 3.07Å; I508-H561 HydrophobicContact CD1-CB 3.66Å; I508-H561 HydrophobicContact CG1-CB 3.86Å; K541-H561 HydrophobicContact CD-CB 4.45Å; K541-H561 VanDerWaalsContact CD-O 3.23Å; K541-H561 WeakPolarHBondContact CD-O 3.26Å; K541-H561 VanDerWaalsContact CE-CD2 3.46Å; K541-H561 WeakPolarHBondContact CE-CD2 3.49Å; K541-H561 VanDerWaalsContact CE-NE2 3.3Å; K541-H561 WeakPolarHBondContact CE-NE2 3.49Å; K541-H561 PolarHBondContact NZ-CE1 2.93Å; K541-H561 PolarHBondContact NZ-NE2 2.88Å; G542-H561 PolarHBondContact N-O 3.16Å; G542-H561 VanDerWaalsContact N-O 3.13Å; G542-H561 PolarHBondContact O-N 3.34Å; H561-D607 WeakPolarHBondContact CA-O 3.47Å; H561-D607 IonicContact CD2-OD2 2.74Å; H561-D607 IonicContact NE2-OD2 2.64Å
562	L	96.8	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-89.5	166	-176.2	-52.7	-173.7	0	0	0	112	K541 C560 S564 R572 N575 I579 D607 L608 Y610	K541-L562 WeakPolarHBondContact CD-O 3.49Å; K541-L562 WeakPolarHBondContact CE-O 3.22Å; C560-L562 HydrophobicContact CB-CD2 3.96Å; L562-S564 PolarHBondContact O-N 2.83Å; L562-R572 HydrophobicContact CB-CG 4.11Å; L562-N575 HydrophobicContact CD2-CB 3.85Å; L562-I579 HydrophobicContact CD2-CD1 3.62Å; L562-D607 PolarHBondContact N-O 3.39Å; L562-L608 HydrophobicContact CD1-CB 4.15Å; L562-L608 HydrophobicContact CD1-CD2 4.07Å; L562-L608 HydrophobicContact CG-CD2 4.34Å; L562-Y610 HydrophobicContact CD1-CE2 4.16Å
563	T	94	Very high	94.5	Very high	27 Å²	27	24.5 Å²	24.5	17%	0.166	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-55.7	124.7	-178.2	-69.4	0	0	0	0	112.9	K568 R571 R572 N575	T563-K568 HydrophobicContact CG2-CB 3.85Å; T563-K568 HydrophobicContact CG2-CG 4.42Å; T563-R571 HydrophobicContact CG2-CB 4.23Å; T563-R571 HydrophobicContact CG2-CG 3.93Å; T563-R571 WeakPolarHBondContact OG1-CG 3.03Å; T563-R572 WeakPolarHBondContact O-CD 3.48Å; T563-R572 WeakPolarHBondContact O-CG 3.41Å; T563-R572 PolarHBondContact O-NH1 2.86Å; T563-N575 PolarHBondContact N-OD1 3.02Å; T563-N575 VanDerWaalsContact N-OD1 3.11Å; T563-N575 PolarHBondContact OG1-OD1 2.82Å; T563-N575 VanDerWaalsContact OG1-OD1 3.04Å
564	S	90.4	Very high	94.4	Very high	59 Å²	59	27.9 Å²	27.9	41%	0.413	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-83.9	137.1	-178.6	59	0	0	0	0	113.3	L562 N609	L562-S564 PolarHBondContact O-N 2.83Å; S564-N609 VanDerWaalsContact CA-CG 3.5Å; S564-N609 VanDerWaalsContact CA-OD1 3.32Å; S564-N609 WeakPolarHBondContact CA-OD1 3.15Å; S564-N609 VanDerWaalsContact CB-OD1 3.23Å; S564-N609 WeakPolarHBondContact CB-OD1 3.4Å
565	G	85.4	Confident	94.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	136	138.4	170.4	0	0	0	0	0	113.1	E567 K568 R572	G565-E567 VanDerWaalsContact C-N 3.28Å; G565-E567 PolarHBondContact O-N 2.8Å; G565-K568 PolarHBondContact O-N 2.97Å; G565-R572 VanDerWaalsContact O-CZ 3.28Å; G565-R572 PolarHBondContact O-NH1 2.87Å; G565-R572 PolarHBondContact O-NH2 2.79Å
566	N	83.6	Confident	94.2	Very high	37 Å²	37	26.9 Å²	26.9	20%	0.198	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-45.6	-176.5	-73.4	48.1	0	0	0	112.4	T569 R572 R611 Q636	N566-T569 PolarHBondContact O-OG1 2.84Å; N566-R572 PolarHBondContact O-NH2 2.98Å; N566-R611 HydrophobicContact CB-CB 4.39Å; N566-R611 HydrophobicContact CB-CG 4.36Å; N566-R611 WeakPolarHBondContact OD1-CG 3.38Å; N566-R611 PolarHBondContact OD1-NH1 2.85Å; N566-Q636 PolarHBondContact O-NE2 2.83Å
567	E	85.8	Confident	94.1	Very high	99 Å²	99	28 Å²	28	46%	0.463	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.4	-177.1	73.2	-66.3	166.8	0	0	114.6	G565 T569 R682	G565-E567 VanDerWaalsContact C-N 3.28Å; G565-E567 PolarHBondContact O-N 2.8Å; E567-T569 VanDerWaalsContact C-N 3.26Å; E567-T569 PolarHBondContact O-N 3.32Å; E567-R682 IonicContact OE1-CZ 2.73Å; E567-R682 IonicContact OE1-NH1 2.58Å; E567-R682 PolarHBondContact OE1-NH1 2.94Å; E567-R682 IonicContact OE1-NH2 3.27Å; E567-R682 PolarHBondContact OE1-NH2 3.25Å; E567-R682 IonicContact OE2-CZ 3.63Å; E567-R682 IonicContact OE2-NH1 2.77Å; E567-R682 IonicContact OE2-NH2 2.72Å; E567-R682 PolarHBondContact OE2-NH2 3.03Å
568	K	90.4	Very high	93.9	Very high	66 Å²	66	28.9 Å²	28.9	29%	0.287	16%	0.156	S	C	.	.			trans	-88.3	38.7	-170.8	-56.4	-58.3	-179.7	-178.6	0	114.1	T563 G565 R571 R572 N1220	T563-K568 HydrophobicContact CG2-CB 3.85Å; T563-K568 HydrophobicContact CG2-CG 4.42Å; G565-K568 PolarHBondContact O-N 2.97Å; K568-R571 HydrophobicContact CB-CB 4.36Å; K568-R571 PolarHBondContact O-N 3.06Å; K568-R572 PolarHBondContact O-N 2.96Å; K568-N1220 PolarHBondContact NZ-O 3.45Å
569	T	95.1	Very high	93.8	Very high	20 Å²	20	28.9 Å²	28.9	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-45.9	179	-61.1	0	0	0	0	112.3	N566 E567 R571 R572 N573 Y610 Q636 E640	N566-T569 PolarHBondContact O-OG1 2.84Å; E567-T569 VanDerWaalsContact C-N 3.26Å; E567-T569 PolarHBondContact O-N 3.32Å; T569-R571 VanDerWaalsContact C-N 3.28Å; T569-R571 PolarHBondContact O-N 3.31Å; T569-R572 WeakPolarHBondContact O-CB 3.44Å; T569-R572 PolarHBondContact O-N 3.23Å; T569-R572 PolarHBondContact OG1-NH2 3.11Å; T569-N573 PolarHBondContact O-N 3.01Å; T569-N573 PolarHBondContact O-OD1 3.37Å; T569-Y610 HydrophobicContact CG2-CD1 4.42Å; T569-Y610 HydrophobicContact CG2-CE1 4.16Å; T569-Q636 PolarHBondContact OG1-NE2 3.22Å; T569-Q636 PolarHBondContact OG1-OE1 2.95Å; T569-Q636 VanDerWaalsContact OG1-OE1 3.09Å; T569-E640 HydrophobicContact CG2-CG 3.7Å
570	A	93.4	Very high	93.6	Very high	74 Å²	74	29 Å²	29	61%	0.612	16%	0.156	S	C	*	.	H	α-helix	trans	-57.9	-39	176.8	0	0	0	0	0	112.6	R572 N573 Q574	A570-R572 PolarHBondContact O-N 2.84Å; A570-N573 WeakPolarHBondContact O-CB 3.4Å; A570-N573 PolarHBondContact O-N 2.92Å; A570-Q574 PolarHBondContact O-N 2.98Å
571	R	92.4	Very high	93.3	Very high	85 Å²	85	33.3 Å²	33.3	32%	0.321	17%	0.173	S	C	.	.	H	α-helix	trans	-67.6	-33.9	176.3	-171.6	67.4	-173.8	172.3	12	112.5	T532 G533 N536 T563 K568 T569 Q574 N575	T532-R571 PolarHBondContact O-NH2 3.12Å; G533-R571 PolarHBondContact O-NH2 2.75Å; N536-R571 PolarHBondContact OD1-NH2 3.18Å; N536-R571 VanDerWaalsContact OD1-NH2 3.11Å; T563-R571 HydrophobicContact CG2-CB 4.23Å; T563-R571 HydrophobicContact CG2-CG 3.93Å; T563-R571 WeakPolarHBondContact OG1-CG 3.03Å; K568-R571 HydrophobicContact CB-CB 4.36Å; K568-R571 PolarHBondContact O-N 3.06Å; T569-R571 VanDerWaalsContact C-N 3.28Å; T569-R571 PolarHBondContact O-N 3.31Å; R571-Q574 PolarHBondContact O-N 3.13Å; R571-N575 PolarHBondContact O-N 2.95Å; R571-N575 PolarHBondContact O-ND2 3.09Å; R571-N575 PolarHBondContact O-OD1 2.97Å
572	R	96.7	Very high	93	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-42.1	170.7	-72.6	-176.5	-80.1	-78.3	7.7	111.8	L562 T563 G565 N566 K568 T569 A570 N575 Y576 L608 N609 Y610	L562-R572 HydrophobicContact CB-CG 4.11Å; T563-R572 WeakPolarHBondContact O-CD 3.48Å; T563-R572 WeakPolarHBondContact O-CG 3.41Å; T563-R572 PolarHBondContact O-NH1 2.86Å; G565-R572 VanDerWaalsContact O-CZ 3.28Å; G565-R572 PolarHBondContact O-NH1 2.87Å; G565-R572 PolarHBondContact O-NH2 2.79Å; N566-R572 PolarHBondContact O-NH2 2.98Å; K568-R572 PolarHBondContact O-N 2.96Å; T569-R572 WeakPolarHBondContact O-CB 3.44Å; T569-R572 PolarHBondContact O-N 3.23Å; T569-R572 PolarHBondContact OG1-NH2 3.11Å; A570-R572 PolarHBondContact O-N 2.84Å; R572-N575 PolarHBondContact O-N 2.92Å; R572-Y576 PolarHBondContact O-N 2.88Å; R572-L608 WeakPolarHBondContact CD-O 3.27Å; R572-N609 PolarHBondContact NH1-O 2.97Å; R572-Y610 HydrophobicContact CB-CE1 3.9Å; R572-Y610 HydrophobicContact CB-CE2 4.05Å
573	N	96.4	Very high	92.9	Very high	14 Å²	14	38 Å²	38	8%	0.075	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-46.5	175.6	-58.6	-2.7	0	0	0	110.7	T569 A570 N575 Y576 L577 Y610 E640 V646	T569-N573 PolarHBondContact O-N 3.01Å; T569-N573 PolarHBondContact O-OD1 3.37Å; A570-N573 WeakPolarHBondContact O-CB 3.4Å; A570-N573 PolarHBondContact O-N 2.92Å; N573-N575 PolarHBondContact O-N 3.01Å; N573-Y576 WeakPolarHBondContact O-CB 3.46Å; N573-Y576 PolarHBondContact O-N 2.91Å; N573-L577 PolarHBondContact O-N 3.01Å; N573-Y610 PolarHBondContact OD1-OH 2.97Å; N573-E640 PolarHBondContact ND2-OE2 2.6Å; N573-V646 HydrophobicContact CB-CG1 3.53Å; N573-V646 VanDerWaalsContact CG-CG1 3.44Å; N573-V646 WeakPolarHBondContact OD1-CG1 3.26Å
574	Q	94	Very high	92.9	Very high	73 Å²	73	40.7 Å²	40.7	34%	0.341	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-43.8	176	-173.3	57.1	40.2	0	0	111.9	A570 R571 Y576 L577 D578	A570-Q574 PolarHBondContact O-N 2.98Å; R571-Q574 PolarHBondContact O-N 3.13Å; Q574-Y576 VanDerWaalsContact C-N 3.3Å; Q574-Y576 PolarHBondContact O-N 2.91Å; Q574-L577 PolarHBondContact O-N 2.59Å; Q574-L577 VanDerWaalsContact O-N 3.09Å; Q574-D578 PolarHBondContact NE2-OD1 3.42Å; Q574-D578 PolarHBondContact O-N 2.87Å
575	N	94.9	Very high	93.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.4	-41	175.6	-64.6	168.3	0	0	0	112.2	T532 L562 T563 R571 R572 N573 D578 I579	T532-N575 WeakPolarHBondContact CB-ND2 3.35Å; T532-N575 HydrophobicContact CG2-CB 4.31Å; T532-N575 PolarHBondContact O-ND2 3.19Å; T532-N575 VanDerWaalsContact O-ND2 3.17Å; L562-N575 HydrophobicContact CD2-CB 3.85Å; T563-N575 PolarHBondContact N-OD1 3.02Å; T563-N575 VanDerWaalsContact N-OD1 3.11Å; T563-N575 PolarHBondContact OG1-OD1 2.82Å; T563-N575 VanDerWaalsContact OG1-OD1 3.04Å; R571-N575 PolarHBondContact O-N 2.95Å; R571-N575 PolarHBondContact O-ND2 3.09Å; R571-N575 PolarHBondContact O-OD1 2.97Å; R572-N575 PolarHBondContact O-N 2.92Å; N573-N575 PolarHBondContact O-N 3.01Å; N575-D578 PolarHBondContact O-N 2.85Å; N575-I579 WeakPolarHBondContact O-CB 3.39Å; N575-I579 VanDerWaalsContact O-CD1 3.25Å; N575-I579 WeakPolarHBondContact O-CD1 3.33Å; N575-I579 WeakPolarHBondContact O-CG1 3.23Å; N575-I579 PolarHBondContact O-N 2.85Å
576	Y	97.9	Very high	93.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-46.4	173.6	157.4	-93.5	0	0	0	111.3	R572 N573 Q574 I579 L580 W604 V646 F647	R572-Y576 PolarHBondContact O-N 2.88Å; N573-Y576 WeakPolarHBondContact O-CB 3.46Å; N573-Y576 PolarHBondContact O-N 2.91Å; Q574-Y576 VanDerWaalsContact C-N 3.3Å; Q574-Y576 PolarHBondContact O-N 2.91Å; Y576-I579 PolarHBondContact O-N 2.86Å; Y576-L580 HydrophobicContact CE1-CD2 4.22Å; Y576-L580 VanDerWaalsContact O-CB 3.25Å; Y576-L580 WeakPolarHBondContact O-CB 3.35Å; Y576-L580 PolarHBondContact O-N 2.85Å; Y576-W604 AromaticContact CD2-CH2 3.53Å; Y576-W604 HydrophobicContact CD2-CH2 3.53Å; Y576-W604 AromaticContact CD2-CZ2 3.83Å; Y576-W604 HydrophobicContact CD2-CZ2 3.83Å; Y576-W604 AromaticContact CD2-CZ3 3.93Å; Y576-W604 HydrophobicContact CD2-CZ3 3.93Å; Y576-W604 HydrophobicContact CE2-CE3 4.32Å; Y576-W604 AromaticContact CE2-CH2 3.84Å; Y576-W604 HydrophobicContact CE2-CH2 3.84Å; Y576-W604 HydrophobicContact CE2-CZ2 4.49Å; Y576-W604 AromaticContact CE2-CZ3 3.75Å; Y576-W604 HydrophobicContact CE2-CZ3 3.75Å; Y576-W604 HydrophobicContact CG-CH2 4.44Å; Y576-V646 HydrophobicContact CD1-CB 3.99Å; Y576-V646 HydrophobicContact CD1-CG1 3.91Å; Y576-V646 HydrophobicContact CE1-CB 4.3Å; Y576-V646 HydrophobicContact CG-CB 4.35Å; Y576-V646 HydrophobicContact CG-CG1 4.37Å; Y576-F647 AromaticContact CD2-CD1 3.99Å; Y576-F647 HydrophobicContact CD2-CD1 3.99Å; Y576-F647 HydrophobicContact CD2-CD2 4.02Å; Y576-F647 AromaticContact CD2-CE1 3.8Å; Y576-F647 HydrophobicContact CD2-CE1 3.8Å; Y576-F647 AromaticContact CD2-CE2 3.83Å; Y576-F647 HydrophobicContact CD2-CE2 3.83Å; Y576-F647 HydrophobicContact CD2-CG 4.1Å; Y576-F647 AromaticContact CD2-CZ 3.72Å; Y576-F647 HydrophobicContact CD2-CZ 3.72Å; Y576-F647 HydrophobicContact CE2-CB 4.47Å; Y576-F647 AromaticContact CE2-CD1 3.74Å; Y576-F647 HydrophobicContact CE2-CD1 3.74Å; Y576-F647 HydrophobicContact CE2-CD2 4.26Å; Y576-F647 AromaticContact CE2-CE1 3.97Å; Y576-F647 HydrophobicContact CE2-CE1 3.97Å; Y576-F647 HydrophobicContact CE2-CE2 4.46Å; Y576-F647 AromaticContact CE2-CG 3.9Å; Y576-F647 HydrophobicContact CE2-CG 3.9Å; Y576-F647 HydrophobicContact CE2-CZ 4.33Å; Y576-F647 HydrophobicContact CG-CE2 4.34Å; Y576-F647 PolarHBondContact OH-N 3.46Å
577	L	95.5	Very high	93.2	Very high	23 Å²	23	40.8 Å²	40.8	12%	0.12	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-42.2	177.5	-65.4	175.7	0	0	0	112.1	N573 Q574 L580 R581	N573-L577 PolarHBondContact O-N 3.01Å; Q574-L577 PolarHBondContact O-N 2.59Å; Q574-L577 VanDerWaalsContact O-N 3.09Å; L577-L580 PolarHBondContact O-N 2.87Å; L577-R581 VanDerWaalsContact O-CB 3.32Å; L577-R581 WeakPolarHBondContact O-CB 3.47Å; L577-R581 WeakPolarHBondContact O-CD 3.17Å; L577-R581 WeakPolarHBondContact O-CG 3.37Å; L577-R581 PolarHBondContact O-N 2.88Å
578	D	94.1	Very high	92.8	Very high	18 Å²	18	47 Å²	47	10%	0.096	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-47.4	176.1	-63.7	-30	0	0	0	111	T532 Q574 N575 R581 L582	T532-D578 HydrophobicContact CG2-CB 3.97Å; Q574-D578 PolarHBondContact NE2-OD1 3.42Å; Q574-D578 PolarHBondContact O-N 2.87Å; N575-D578 PolarHBondContact O-N 2.85Å; D578-R581 PolarHBondContact O-N 3.07Å; D578-L582 WeakPolarHBondContact O-CB 3.17Å; D578-L582 VanDerWaalsContact O-CG 3.25Å; D578-L582 WeakPolarHBondContact O-CG 3.38Å; D578-L582 PolarHBondContact O-N 2.81Å
579	I	96.9	Very high	92.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-46	177.8	-64.9	156.7	0	0	0	110.6	V530 T532 A543 V558 C560 L562 N575 Y576 R581 L582 L583 W604	V530-I579 HydrophobicContact CB-CG1 4.34Å; V530-I579 HydrophobicContact CG1-CG1 4.31Å; T532-I579 HydrophobicContact CG2-CD1 4.21Å; T532-I579 HydrophobicContact CG2-CG1 3.79Å; A543-I579 HydrophobicContact CB-CB 4.35Å; A543-I579 HydrophobicContact CB-CD1 3.74Å; A543-I579 HydrophobicContact CB-CG1 3.74Å; A543-I579 HydrophobicContact CB-CG2 3.6Å; V558-I579 HydrophobicContact CG1-CG2 4.1Å; C560-I579 HydrophobicContact CB-CD1 4.03Å; L562-I579 HydrophobicContact CD2-CD1 3.62Å; N575-I579 WeakPolarHBondContact O-CB 3.39Å; N575-I579 VanDerWaalsContact O-CD1 3.25Å; N575-I579 WeakPolarHBondContact O-CD1 3.33Å; N575-I579 WeakPolarHBondContact O-CG1 3.23Å; N575-I579 PolarHBondContact O-N 2.85Å; Y576-I579 PolarHBondContact O-N 2.86Å; I579-R581 VanDerWaalsContact C-N 3.27Å; I579-R581 PolarHBondContact O-N 3.1Å; I579-L582 PolarHBondContact O-N 3.37Å; I579-L583 HydrophobicContact CG2-CB 4.26Å; I579-L583 HydrophobicContact CG2-CD2 4.17Å; I579-L583 WeakPolarHBondContact O-CB 3.32Å; I579-L583 PolarHBondContact O-N 2.83Å; I579-W604 HydrophobicContact CB-CH2 3.84Å; I579-W604 HydrophobicContact CB-CZ2 3.71Å; I579-W604 HydrophobicContact CD1-CZ2 4.15Å; I579-W604 HydrophobicContact CG2-CH2 3.58Å; I579-W604 HydrophobicContact CG2-CZ2 3.41Å; I579-W604 VanDerWaalsContact CG2-CZ2 3.41Å
580	L	96.1	Very high	91.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-56.9	-41.8	179.3	177.4	67.4	0	0	0	111.8	Y576 L577 D594 I595 W604	Y576-L580 HydrophobicContact CE1-CD2 4.22Å; Y576-L580 VanDerWaalsContact O-CB 3.25Å; Y576-L580 WeakPolarHBondContact O-CB 3.35Å; Y576-L580 PolarHBondContact O-N 2.85Å; L577-L580 PolarHBondContact O-N 2.87Å; L580-D594 HydrophobicContact CD1-CB 4.2Å; L580-D594 WeakPolarHBondContact CD1-OD1 3.32Å; L580-D594 HydrophobicContact CG-CB 4.27Å; L580-I595 HydrophobicContact CD1-CG1 3.83Å; L580-W604 HydrophobicContact CB-CH2 4.16Å; L580-W604 HydrophobicContact CB-CZ3 4.31Å; L580-W604 HydrophobicContact CD1-CZ3 4.3Å
581	R	90.8	Very high	90.9	Very high	92 Å²	92	51.1 Å²	51.1	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-82.2	-34	-175.7	-66.5	162.2	-169.8	-158.9	-9	113.1	L577 D578 I579 R859 E861	L577-R581 VanDerWaalsContact O-CB 3.32Å; L577-R581 WeakPolarHBondContact O-CB 3.47Å; L577-R581 WeakPolarHBondContact O-CD 3.17Å; L577-R581 WeakPolarHBondContact O-CG 3.37Å; L577-R581 PolarHBondContact O-N 2.88Å; D578-R581 PolarHBondContact O-N 3.07Å; I579-R581 VanDerWaalsContact C-N 3.27Å; I579-R581 PolarHBondContact O-N 3.1Å; R581-R859 HydrophobicContact CG-CB 4.35Å; R581-R859 HydrophobicContact CG-CG 4.46Å; R581-R859 PolarHBondContact NE-O 2.91Å; R581-R859 PolarHBondContact NH2-O 2.94Å; R581-E861 IonicContact CZ-OE1 2.84Å; R581-E861 IonicContact NH2-OE1 3.01Å; R581-E861 PolarHBondContact NH2-OE1 3.24Å
582	L	92.9	Very high	90.3	Very high	103 Å²	103	48.1 Å²	48.1	54%	0.539	25%	0.247	S	C	.	.	H	α-helix	trans	-105.1	-16	-169.4	-58.5	174.4	0	0	0	114.8	V530 D578 I579 S584	V530-L582 HydrophobicContact CG1-CB 4.05Å; V530-L582 HydrophobicContact CG1-CD1 4.17Å; V530-L582 HydrophobicContact CG2-CB 3.75Å; D578-L582 WeakPolarHBondContact O-CB 3.17Å; D578-L582 VanDerWaalsContact O-CG 3.25Å; D578-L582 WeakPolarHBondContact O-CG 3.38Å; D578-L582 PolarHBondContact O-N 2.81Å; I579-L582 PolarHBondContact O-N 3.37Å; L582-S584 PolarHBondContact O-N 3.08Å
583	L	94.7	Very high	90.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.248	C	C	.	.			trans	-76.4	100.6	-174.9	-169.5	71.8	0	0	0	111.2	V530 V558 I579 L585 I595	V530-L583 HydrophobicContact CG2-CB 3.77Å; V530-L583 HydrophobicContact CG2-CD1 3.83Å; V530-L583 HydrophobicContact CG2-CG 4.43Å; V558-L583 HydrophobicContact CB-CD2 4.33Å; V558-L583 HydrophobicContact CG1-CD2 3.83Å; V558-L583 HydrophobicContact CG2-CD2 3.59Å; I579-L583 HydrophobicContact CG2-CB 4.26Å; I579-L583 HydrophobicContact CG2-CD2 4.17Å; I579-L583 WeakPolarHBondContact O-CB 3.32Å; I579-L583 PolarHBondContact O-N 2.83Å; L583-L585 VanDerWaalsContact C-N 3.29Å; L583-L585 HydrophobicContact CD2-CD1 3.68Å; L583-L585 HydrophobicContact CD2-CG 4.31Å; L583-L585 HydrophobicContact CG-CD1 4.03Å; L583-L585 HydrophobicContact CG-CG 4.09Å; L583-L585 PolarHBondContact O-N 3.27Å; L583-I595 HydrophobicContact CB-CD1 4.33Å; L583-I595 HydrophobicContact CD2-CD1 4Å; L583-I595 WeakPolarHBondContact O-CG2 3.25Å
584	S	93.9	Very high	89.9	Confident	82 Å²	82	48.4 Å²	48.4	57%	0.573	25%	0.248	S	C	*	.			trans	-76.9	60.6	-171.7	51	0	0	0	0	114.9	S528 L582	S528-S584 PolarHBondContact OG-N 3.22Å; S528-S584 VanDerWaalsContact OG-N 3.1Å; S528-S584 PolarHBondContact OG-OG 3.36Å; L582-S584 PolarHBondContact O-N 3.08Å
585	L	93.5	Very high	90	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.			trans	-97.7	160.8	176.8	-68.3	174.8	0	0	0	113.7	V558 L583 I595 R598 F599	V558-L585 HydrophobicContact CG2-CD1 4.44Å; L583-L585 VanDerWaalsContact C-N 3.29Å; L583-L585 HydrophobicContact CD2-CD1 3.68Å; L583-L585 HydrophobicContact CD2-CG 4.31Å; L583-L585 HydrophobicContact CG-CD1 4.03Å; L583-L585 HydrophobicContact CG-CG 4.09Å; L583-L585 PolarHBondContact O-N 3.27Å; L585-I595 HydrophobicContact CB-CG2 4.29Å; L585-R598 VanDerWaalsContact O-CD 3.32Å; L585-R598 WeakPolarHBondContact O-CD 3.49Å; L585-R598 PolarHBondContact O-NH1 3.17Å; L585-F599 HydrophobicContact CB-CE2 4.26Å; L585-F599 HydrophobicContact CB-CZ 3.73Å
586	G	90.6	Very high	89.9	Confident	21 Å²	21	45.4 Å²	45.4	22%	0.216	24%	0.235	C	C	.	.	S	Bend	trans	77.5	-159.4	173.3	0	0	0	0	0	114.7	S547	S547-G586 PolarHBondContact OG-N 2.99Å
587	D	82.3	Confident	89.8	Confident	79 Å²	79	45.5 Å²	45.5	42%	0.422	24%	0.236	S	C	.	.			trans	-67.9	134.7	179.2	-171.9	-0.2	0	0	0	111.4	Q589 L590	D587-Q589 PolarHBondContact OD1-N 2.87Å; D587-L590 HydrophobicContact CB-CD1 4.39Å; D587-L590 HydrophobicContact CB-CG 4.3Å; D587-L590 PolarHBondContact O-N 2.84Å
588	R	76.9	Confident	89.8	Confident	228 Å²	228	46.3 Å²	46.3	86%	0.86	24%	0.237	S	C	*	.	S	Bend	trans	-78.9	-18.1	177.3	-63	-178.5	67.4	166.2	-0.1	112.5	L590 S591	R588-L590 VanDerWaalsContact C-N 3.26Å; R588-S591 PolarHBondContact O-N 2.89Å
589	Q	77.8	Confident	90	Very high	138 Å²	138	45.8 Å²	45.8	65%	0.645	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.3	171.5	-58.4	-171.1	15.8	0	0	111.9	D587 S591	D587-Q589 PolarHBondContact OD1-N 2.87Å; Q589-S591 PolarHBondContact O-N 2.92Å; Q589-S591 VanDerWaalsContact O-N 3.07Å
590	L	83.9	Confident	90	Very high	22 Å²	22	46.7 Å²	46.7	12%	0.115	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	36.4	174.2	-58.8	-179.2	0	0	0	112.4	D587 R588 A592 F593 R598 Y770 L822	D587-L590 HydrophobicContact CB-CD1 4.39Å; D587-L590 HydrophobicContact CB-CG 4.3Å; D587-L590 PolarHBondContact O-N 2.84Å; R588-L590 VanDerWaalsContact C-N 3.26Å; L590-A592 PolarHBondContact O-N 2.76Å; L590-F593 HydrophobicContact CB-CD2 4Å; L590-F593 HydrophobicContact CD2-CD2 4.05Å; L590-F593 HydrophobicContact CD2-CE2 4.12Å; L590-F593 PolarHBondContact O-N 2.66Å; L590-F593 VanDerWaalsContact O-N 3.08Å; L590-R598 HydrophobicContact CB-CG 4.13Å; L590-R598 HydrophobicContact CD1-CG 4.39Å; L590-R598 PolarHBondContact O-NE 2.89Å; L590-R598 PolarHBondContact O-NH2 3.31Å; L590-Y770 HydrophobicContact CD2-CD1 3.86Å; L590-Y770 HydrophobicContact CD2-CG 4.03Å; L590-L822 HydrophobicContact CD1-CD1 3.89Å; L590-L822 HydrophobicContact CD2-CD1 3.99Å
591	S	76.5	Confident	90.1	Very high	88 Å²	88	46.6 Å²	46.6	62%	0.615	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.1	-177.2	58.1	0	0	0	0	113.6	R588 Q589 F593	R588-S591 PolarHBondContact O-N 2.89Å; Q589-S591 PolarHBondContact O-N 2.92Å; Q589-S591 VanDerWaalsContact O-N 3.07Å; S591-F593 PolarHBondContact O-N 3.01Å
592	A	80.4	Confident	90.5	Very high	22 Å²	22	42.3 Å²	42.3	18%	0.182	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14	176.7	0	0	0	0	0	114.3	L590 T824	L590-A592 PolarHBondContact O-N 2.76Å; A592-T824 HydrophobicContact CB-CG2 4.29Å
593	F	91.4	Very high	90.8	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.013	20%	0.198	C	C	.	.	S	Bend	trans	-106.4	138.2	-178.1	-57.9	-91.3	0	0	0	110.3	L590 S591 L597 R598 Y770 L822 T824 E836	L590-F593 HydrophobicContact CB-CD2 4Å; L590-F593 HydrophobicContact CD2-CD2 4.05Å; L590-F593 HydrophobicContact CD2-CE2 4.12Å; L590-F593 PolarHBondContact O-N 2.66Å; L590-F593 VanDerWaalsContact O-N 3.08Å; S591-F593 PolarHBondContact O-N 3.01Å; F593-L597 HydrophobicContact CB-CB 4.39Å; F593-L597 HydrophobicContact CD1-CB 4.17Å; F593-L597 HydrophobicContact CD1-CD1 4.32Å; F593-R598 HydrophobicContact CB-CG 4.3Å; F593-R598 VanDerWaalsContact O-CZ 3.22Å; F593-R598 PolarHBondContact O-NE 3.35Å; F593-R598 PolarHBondContact O-NH2 3.34Å; F593-Y770 AromaticContact CE2-CD2 3.54Å; F593-Y770 HydrophobicContact CE2-CD2 3.54Å; F593-Y770 AromaticContact CE2-CE2 3.87Å; F593-Y770 HydrophobicContact CE2-CE2 3.87Å; F593-Y770 AromaticContact CE2-CG 3.96Å; F593-Y770 HydrophobicContact CE2-CG 3.96Å; F593-Y770 AromaticContact CZ-CD2 3.79Å; F593-Y770 HydrophobicContact CZ-CD2 3.79Å; F593-Y770 HydrophobicContact CZ-CE2 4.31Å; F593-Y770 HydrophobicContact CZ-CG 4.43Å; F593-L822 HydrophobicContact CD1-CD2 4.16Å; F593-L822 HydrophobicContact CE1-CB 3.82Å; F593-L822 HydrophobicContact CE1-CD2 4.11Å; F593-L822 HydrophobicContact CE2-CB 4.33Å; F593-L822 HydrophobicContact CZ-CB 3.71Å; F593-T824 HydrophobicContact CE2-CG2 4.39Å; F593-T824 HydrophobicContact CZ-CG2 3.97Å; F593-E836 HydrophobicContact CD1-CB 3.7Å; F593-E836 HydrophobicContact CD1-CG 3.63Å; F593-E836 HydrophobicContact CE1-CB 3.88Å; F593-E836 HydrophobicContact CE1-CG 3.92Å; F593-E836 HydrophobicContact CG-CG 4.36Å
594	D	92.9	Very high	91	Very high	16 Å²	16	37.2 Å²	37.2	9%	0.086	20%	0.197	C	C	.	.			trans	-72.9	169	165.7	75.1	38.2	0	0	0	111.9	L580 S596 L597	L580-D594 HydrophobicContact CD1-CB 4.2Å; L580-D594 WeakPolarHBondContact CD1-OD1 3.32Å; L580-D594 HydrophobicContact CG-CB 4.27Å; D594-S596 PolarHBondContact O-N 2.89Å; D594-S596 WeakPolarHBondContact OD1-CA 3.36Å; D594-S596 WeakPolarHBondContact OD1-CB 3.3Å; D594-S596 PolarHBondContact OD1-N 2.86Å; D594-S596 PolarHBondContact OD1-OG 3.38Å; D594-L597 PolarHBondContact O-N 2.92Å; D594-L597 VanDerWaalsContact O-N 3.09Å
595	I	95.5	Very high	91.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.5	-23.3	-177	55.8	169	0	0	0	113.7	V558 L580 L583 L585 L597 R598 F599 L602 W604	V558-I595 HydrophobicContact CG2-CD1 4.08Å; L580-I595 HydrophobicContact CD1-CG1 3.83Å; L583-I595 HydrophobicContact CB-CD1 4.33Å; L583-I595 HydrophobicContact CD2-CD1 4Å; L583-I595 WeakPolarHBondContact O-CG2 3.25Å; L585-I595 HydrophobicContact CB-CG2 4.29Å; I595-L597 PolarHBondContact O-N 3.38Å; I595-R598 PolarHBondContact O-N 2.96Å; I595-F599 HydrophobicContact CB-CE2 4.1Å; I595-F599 HydrophobicContact CG2-CE2 4.29Å; I595-F599 VanDerWaalsContact O-CD2 3.32Å; I595-F599 WeakPolarHBondContact O-CD2 3.46Å; I595-L602 HydrophobicContact CG1-CD2 4.49Å; I595-W604 HydrophobicContact CD1-CE3 4.37Å; I595-W604 HydrophobicContact CD1-CZ3 3.92Å
596	S	94.6	Very high	91.5	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.063	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-72.1	-6.2	-179.2	85.9	0	0	0	0	113.6	D594 K695	D594-S596 PolarHBondContact O-N 2.89Å; D594-S596 WeakPolarHBondContact OD1-CA 3.36Å; D594-S596 WeakPolarHBondContact OD1-CB 3.3Å; D594-S596 PolarHBondContact OD1-N 2.86Å; D594-S596 PolarHBondContact OD1-OG 3.38Å; S596-K695 VanDerWaalsContact CB-NZ 3.3Å; S596-K695 WeakPolarHBondContact O-CD 3.45Å; S596-K695 VanDerWaalsContact O-CE 3.27Å; S596-K695 WeakPolarHBondContact O-CE 3.4Å; S596-K695 PolarHBondContact O-NZ 2.87Å; S596-K695 PolarHBondContact OG-NZ 3.3Å
597	L	95.3	Very high	91.9	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-127.8	4.1	173.9	-69.1	174.5	0	0	0	114	F593 D594 I595 Y697 L822 E836 V838	F593-L597 HydrophobicContact CB-CB 4.39Å; F593-L597 HydrophobicContact CD1-CB 4.17Å; F593-L597 HydrophobicContact CD1-CD1 4.32Å; D594-L597 PolarHBondContact O-N 2.92Å; D594-L597 VanDerWaalsContact O-N 3.09Å; I595-L597 PolarHBondContact O-N 3.38Å; L597-Y697 PolarHBondContact O-OH 3.16Å; L597-L822 HydrophobicContact CB-CD2 4.11Å; L597-L822 VanDerWaalsContact O-CD2 3.24Å; L597-L822 WeakPolarHBondContact O-CD2 3.3Å; L597-E836 HydrophobicContact CD1-CB 3.41Å; L597-E836 VanDerWaalsContact CD1-CB 3.41Å; L597-V838 HydrophobicContact CD2-CB 4.28Å; L597-V838 HydrophobicContact CD2-CG1 3.89Å
598	R	95.4	Very high	92.7	Very high	41 Å²	41	28.6 Å²	28.6	16%	0.155	14%	0.139	C	C	.	.	S	Bend	trans	-84	-14.1	177.8	-70.9	-176.8	-170.3	-179.1	3.2	115.1	L585 L590 F593 I595	L585-R598 VanDerWaalsContact O-CD 3.32Å; L585-R598 WeakPolarHBondContact O-CD 3.49Å; L585-R598 PolarHBondContact O-NH1 3.17Å; L590-R598 HydrophobicContact CB-CG 4.13Å; L590-R598 HydrophobicContact CD1-CG 4.39Å; L590-R598 PolarHBondContact O-NE 2.89Å; L590-R598 PolarHBondContact O-NH2 3.31Å; F593-R598 HydrophobicContact CB-CG 4.3Å; F593-R598 VanDerWaalsContact O-CZ 3.22Å; F593-R598 PolarHBondContact O-NE 3.35Å; F593-R598 PolarHBondContact O-NH2 3.34Å; I595-R598 PolarHBondContact O-N 2.96Å
599	F	97.1	Very high	93.7	Very high	7 Å²	7	18 Å²	18	3%	0.031	10%	0.099	C	C	.	.			trans	-126.5	136.8	-169.7	-51.8	-66.9	0	0	0	112.2	S554 L585 I595 H601 L602 Y697	S554-F599 WeakPolarHBondContact OG-CA 3.34Å; L585-F599 HydrophobicContact CB-CE2 4.26Å; L585-F599 HydrophobicContact CB-CZ 3.73Å; I595-F599 HydrophobicContact CB-CE2 4.1Å; I595-F599 HydrophobicContact CG2-CE2 4.29Å; I595-F599 VanDerWaalsContact O-CD2 3.32Å; I595-F599 WeakPolarHBondContact O-CD2 3.46Å; F599-H601 PolarHBondContact O-N 2.98Å; F599-L602 HydrophobicContact CB-CB 4.41Å; F599-L602 HydrophobicContact CD2-CB 4.35Å; F599-L602 HydrophobicContact CD2-CD1 4.09Å; F599-Y697 WeakPolarHBondContact O-CD1 3.38Å; F599-Y697 WeakPolarHBondContact O-CE1 3.25Å
600	T	97.6	Very high	94.7	Very high	18 Å²	18	11.4 Å²	11.4	11%	0.11	7%	0.069	C	C	.	.	S	Bend	trans	-54.7	-39.3	169.9	-41.1	0	0	0	0	110.8	T553 S554 S696 Y697 T700	T553-T600 HydrophobicContact CG2-CG2 3.97Å; S554-T600 PolarHBondContact N-OG1 2.85Å; S554-T600 VanDerWaalsContact N-OG1 3.15Å; S554-T600 WeakPolarHBondContact O-CB 3.32Å; S554-T600 PolarHBondContact O-N 3.49Å; S554-T600 PolarHBondContact OG-N 2.96Å; S554-T600 PolarHBondContact OG-OG1 2.81Å; T600-S696 CarbonylContact O-C 3.46Å; T600-S696 WeakPolarHBondContact O-CA 3.32Å; T600-S696 WeakPolarHBondContact O-CB 3.32Å; T600-Y697 HydrophobicContact CG2-CD2 4.05Å; T600-Y697 HydrophobicContact CG2-CG 4.45Å; T600-Y697 PolarHBondContact O-N 2.81Å; T600-T700 HydrophobicContact CG2-CG2 3.79Å
601	H	98.6	Very high	95.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	116.7	171	-55.4	-77.2	0	0	0	110.9	S554 F555 G556 F599 F603 S696 V727	S554-H601 PolarHBondContact O-N 2.98Å; S554-H601 VanDerWaalsContact O-N 3.11Å; F555-H601 WeakPolarHBondContact CA-O 3.49Å; F555-H601 HydrophobicContact CD1-CB 3.89Å; F555-H601 HydrophobicContact CE1-CB 3.85Å; F555-H601 AromaticContact CE1-CD2 3.8Å; F555-H601 AromaticContact CZ-CD2 3.94Å; G556-H601 PolarHBondContact N-O 3.44Å; F599-H601 PolarHBondContact O-N 2.98Å; H601-F603 HydrophobicContact CB-CE2 3.89Å; H601-F603 HydrophobicContact CB-CZ 4.44Å; H601-S696 WeakPolarHBondContact ND1-CB 3.48Å; H601-S696 PolarHBondContact ND1-OG 3.41Å; H601-V727 VanDerWaalsContact CD2-CG1 3.42Å; H601-V727 WeakPolarHBondContact CD2-CG1 3.36Å; H601-V727 VanDerWaalsContact NE2-CG1 3.31Å; H601-V727 WeakPolarHBondContact NE2-CG1 3.21Å
602	L	98.8	Very high	96.3	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.1	169.7	173.2	64.2	0	0	0	109.3	G556 V558 I595 F599 F650 W694 K695	G556-L602 WeakPolarHBondContact O-CA 3.32Å; V558-L602 HydrophobicContact CG2-CD1 3.96Å; I595-L602 HydrophobicContact CG1-CD2 4.49Å; F599-L602 HydrophobicContact CB-CB 4.41Å; F599-L602 HydrophobicContact CD2-CB 4.35Å; F599-L602 HydrophobicContact CD2-CD1 4.09Å; L602-F650 HydrophobicContact CD2-CE1 3.95Å; L602-F650 HydrophobicContact CD2-CZ 3.71Å; L602-F650 HydrophobicContact CG-CE1 4.29Å; L602-W694 CarbonylContact O-C 3.57Å; L602-W694 VanDerWaalsContact O-CA 3.25Å; L602-W694 WeakPolarHBondContact O-CA 3.12Å; L602-K695 PolarHBondContact N-O 3.34Å; L602-K695 PolarHBondContact O-N 2.67Å
603	F	98.9	Very high	96.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.6	170.7	-62	-87.8	0	0	0	110	I426 I428 F555 G556 F557 V558 H601 F605 W694 I702 F725 V727	I426-F603 HydrophobicContact CD1-CE2 4.4Å; I428-F603 HydrophobicContact CD1-CB 3.49Å; I428-F603 VanDerWaalsContact CD1-CB 3.49Å; I428-F603 HydrophobicContact CD1-CD1 3.29Å; I428-F603 HydrophobicContact CD1-CD2 4.02Å; I428-F603 HydrophobicContact CD1-CE1 3.95Å; I428-F603 HydrophobicContact CD1-CG 3.32Å; F555-F603 HydrophobicContact CD1-CE2 4.16Å; F555-F603 HydrophobicContact CE1-CE2 4.34Å; G556-F603 PolarHBondContact O-N 2.98Å; F557-F603 CarbonylContact C-O 3.55Å; F557-F603 WeakPolarHBondContact CA-O 3.15Å; F557-F603 HydrophobicContact CD1-CB 3.87Å; F557-F603 AromaticContact CD1-CD2 3.86Å; F557-F603 HydrophobicContact CD1-CD2 3.86Å; F557-F603 HydrophobicContact CD1-CG 4.18Å; F557-F603 HydrophobicContact CE1-CB 4.23Å; F557-F603 AromaticContact CE1-CD2 3.37Å; F557-F603 HydrophobicContact CE1-CD2 3.37Å; F557-F603 AromaticContact CE1-CE2 3.97Å; F557-F603 HydrophobicContact CE1-CE2 3.97Å; F557-F603 HydrophobicContact CE1-CG 4.02Å; F557-F603 HydrophobicContact CZ-CD2 4.05Å; F557-F603 HydrophobicContact CZ-CE2 4.36Å; V558-F603 PolarHBondContact N-O 2.88Å; H601-F603 HydrophobicContact CB-CE2 3.89Å; H601-F603 HydrophobicContact CB-CZ 4.44Å; F603-F605 HydrophobicContact CB-CD1 4.28Å; F603-F605 HydrophobicContact CB-CE1 4.28Å; F603-W694 HydrophobicContact CD1-CB 3.59Å; F603-W694 HydrophobicContact CE1-CB 3.82Å; F603-W694 HydrophobicContact CE1-CG 4.38Å; F603-W694 HydrophobicContact CG-CB 4.39Å; F603-I702 HydrophobicContact CE1-CD1 3.9Å; F603-I702 HydrophobicContact CZ-CD1 3.69Å; F603-F725 HydrophobicContact CD1-CD2 4.27Å; F603-F725 HydrophobicContact CD1-CE2 4.04Å; F603-F725 HydrophobicContact CD1-CZ 4.25Å; F603-F725 HydrophobicContact CE1-CB 4.41Å; F603-F725 AromaticContact CE1-CD1 3.9Å; F603-F725 HydrophobicContact CE1-CD1 3.9Å; F603-F725 AromaticContact CE1-CD2 3.61Å; F603-F725 HydrophobicContact CE1-CD2 3.61Å; F603-F725 HydrophobicContact CE1-CE1 4.03Å; F603-F725 AromaticContact CE1-CE2 3.76Å; F603-F725 HydrophobicContact CE1-CE2 3.76Å; F603-F725 AromaticContact CE1-CG 3.68Å; F603-F725 HydrophobicContact CE1-CG 3.68Å; F603-F725 AromaticContact CE1-CZ 3.97Å; F603-F725 HydrophobicContact CE1-CZ 3.97Å; F603-F725 HydrophobicContact CZ-CB 4.42Å; F603-F725 HydrophobicContact CZ-CD2 4.27Å; F603-F725 HydrophobicContact CZ-CG 4.16Å; F603-V727 HydrophobicContact CZ-CG2 4.27Å
604	W	98.9	Very high	97	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.2	177.5	-163.3	-37.1	0	0	0	109.1	V558 C560 Y576 I579 L580 I595 F647 F650 L693	V558-W604 HydrophobicContact CB-CB 4.39Å; V558-W604 HydrophobicContact CB-CD2 4.11Å; V558-W604 HydrophobicContact CB-CG 3.95Å; V558-W604 HydrophobicContact CG1-CD2 3.99Å; V558-W604 HydrophobicContact CG1-CG 4.14Å; V558-W604 HydrophobicContact CG1-CZ2 4.37Å; V558-W604 WeakPolarHBondContact O-CA 3.27Å; C560-W604 PolarHBondContact SG-NE1 2.95Å; Y576-W604 AromaticContact CD2-CH2 3.53Å; Y576-W604 HydrophobicContact CD2-CH2 3.53Å; Y576-W604 AromaticContact CD2-CZ2 3.83Å; Y576-W604 HydrophobicContact CD2-CZ2 3.83Å; Y576-W604 AromaticContact CD2-CZ3 3.93Å; Y576-W604 HydrophobicContact CD2-CZ3 3.93Å; Y576-W604 HydrophobicContact CE2-CE3 4.32Å; Y576-W604 AromaticContact CE2-CH2 3.84Å; Y576-W604 HydrophobicContact CE2-CH2 3.84Å; Y576-W604 HydrophobicContact CE2-CZ2 4.49Å; Y576-W604 AromaticContact CE2-CZ3 3.75Å; Y576-W604 HydrophobicContact CE2-CZ3 3.75Å; Y576-W604 HydrophobicContact CG-CH2 4.44Å; I579-W604 HydrophobicContact CB-CH2 3.84Å; I579-W604 HydrophobicContact CB-CZ2 3.71Å; I579-W604 HydrophobicContact CD1-CZ2 4.15Å; I579-W604 HydrophobicContact CG2-CH2 3.58Å; I579-W604 HydrophobicContact CG2-CZ2 3.41Å; I579-W604 VanDerWaalsContact CG2-CZ2 3.41Å; L580-W604 HydrophobicContact CB-CH2 4.16Å; L580-W604 HydrophobicContact CB-CZ3 4.31Å; L580-W604 HydrophobicContact CD1-CZ3 4.3Å; I595-W604 HydrophobicContact CD1-CE3 4.37Å; I595-W604 HydrophobicContact CD1-CZ3 3.92Å; W604-F647 HydrophobicContact CB-CE1 4.15Å; W604-F647 AromaticContact CD1-CE1 3.92Å; W604-F647 AromaticContact CD2-CE1 3.71Å; W604-F647 HydrophobicContact CD2-CE1 3.71Å; W604-F647 HydrophobicContact CD2-CZ 4.41Å; W604-F647 AromaticContact CE2-CE1 3.96Å; W604-F647 HydrophobicContact CE3-CE1 4.19Å; W604-F647 AromaticContact CG-CE1 3.69Å; W604-F647 HydrophobicContact CG-CE1 3.69Å; W604-F647 HydrophobicContact CG-CZ 4.43Å; W604-F650 HydrophobicContact CB-CE1 4.08Å; W604-F650 HydrophobicContact CE3-CE1 4.3Å; W604-F650 HydrophobicContact CE3-CZ 4.06Å; W604-L693 PolarHBondContact N-O 2.75Å; W604-L693 PolarHBondContact O-N 2.76Å
605	F	98.9	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	169.3	-173.8	47.7	-81.6	0	0	0	110.1	I428 V468 V510 F557 V558 N559 C560 F603 R691 I692	I428-F605 HydrophobicContact CG2-CB 4.3Å; I428-F605 HydrophobicContact CG2-CD1 3.58Å; I428-F605 HydrophobicContact CG2-CD2 3.93Å; I428-F605 HydrophobicContact CG2-CE1 3.83Å; I428-F605 HydrophobicContact CG2-CE2 4.12Å; I428-F605 HydrophobicContact CG2-CG 3.67Å; I428-F605 HydrophobicContact CG2-CZ 4.1Å; V468-F605 HydrophobicContact CG1-CE1 4.3Å; V468-F605 HydrophobicContact CG1-CE2 4.25Å; V468-F605 HydrophobicContact CG1-CZ 3.55Å; V510-F605 HydrophobicContact CG2-CE2 4.49Å; V510-F605 HydrophobicContact CG2-CZ 4.24Å; F557-F605 HydrophobicContact CB-CE1 3.98Å; F557-F605 HydrophobicContact CB-CZ 4.13Å; F557-F605 HydrophobicContact CD1-CE1 4.17Å; V558-F605 WeakPolarHBondContact O-CD1 3.28Å; V558-F605 WeakPolarHBondContact O-CE1 3.46Å; V558-F605 PolarHBondContact O-N 2.95Å; V558-F605 VanDerWaalsContact O-O 3.09Å; N559-F605 VanDerWaalsContact CA-O 3.29Å; N559-F605 WeakPolarHBondContact CA-O 3.49Å; N559-F605 HydrophobicContact CB-CD2 4.12Å; N559-F605 HydrophobicContact CB-CE2 3.7Å; N559-F605 HydrophobicContact CB-CZ 4.31Å; C560-F605 PolarHBondContact N-O 2.88Å; F603-F605 HydrophobicContact CB-CD1 4.28Å; F603-F605 HydrophobicContact CB-CE1 4.28Å; F605-R691 WeakPolarHBondContact CA-O 3.49Å; F605-R691 VanDerWaalsContact CB-O 3.3Å; F605-R691 WeakPolarHBondContact CB-O 3.15Å; F605-I692 HydrophobicContact CB-CB 4.24Å; F605-I692 HydrophobicContact CB-CG1 3.87Å; F605-I692 HydrophobicContact CB-CG2 4.28Å
606	G	98.8	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.1	-169.3	175.3	0	0	0	0	0	113.7	T430 C560 L608 D690 R691	T430-G606 VanDerWaalsContact OG1-CA 3.25Å; T430-G606 WeakPolarHBondContact OG1-CA 3.44Å; C560-G606 VanDerWaalsContact O-CA 3.27Å; C560-G606 WeakPolarHBondContact O-CA 3.35Å; G606-L608 PolarHBondContact O-N 2.81Å; G606-D690 WeakPolarHBondContact O-CA 3.19Å; G606-R691 PolarHBondContact N-O 2.99Å; G606-R691 VanDerWaalsContact N-O 3.13Å; G606-R691 PolarHBondContact O-N 2.83Å
607	D	98.8	Very high	96.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	92.6	157.4	-177.6	-5.9	0	0	0	107.4	N432 Q472 C560 H561 L562 N609 C689 H718	N432-D607 HydrophobicContact CB-CB 4.36Å; N432-D607 PolarHBondContact ND2-OD2 2.6Å; Q472-D607 HydrophobicContact CB-CB 4.39Å; Q472-D607 HydrophobicContact CG-CB 3.91Å; C560-D607 PolarHBondContact O-N 3.36Å; H561-D607 WeakPolarHBondContact CA-O 3.47Å; H561-D607 IonicContact CD2-OD2 2.74Å; H561-D607 IonicContact NE2-OD2 2.64Å; L562-D607 PolarHBondContact N-O 3.39Å; D607-N609 PolarHBondContact O-N 3.38Å; D607-N609 WeakPolarHBondContact OD1-CA 3.36Å; D607-N609 VanDerWaalsContact OD1-CG 3.28Å; D607-N609 PolarHBondContact OD1-N 3.41Å; D607-N609 PolarHBondContact OD1-ND2 2.6Å; D607-N609 PolarHBondContact OD2-ND2 3.13Å; D607-C689 WeakPolarHBondContact OD1-CB 3.25Å; D607-H718 IonicContact OD2-CE1 2.86Å; D607-H718 PolarHBondContact OD2-CE1 2.98Å; D607-H718 VanDerWaalsContact OD2-CE1 3.3Å; D607-H718 IonicContact OD2-NE2 3.78Å
608	L	98.8	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.			trans	-77.7	-10.3	178.5	-51.8	-166.7	0	0	0	111.9	C560 L562 R572 G606 Y610 L637 F647 C689 R691 L693	C560-L608 WeakPolarHBondContact SG-CD2 3.35Å; L562-L608 HydrophobicContact CD1-CB 4.15Å; L562-L608 HydrophobicContact CD1-CD2 4.07Å; L562-L608 HydrophobicContact CG-CD2 4.34Å; R572-L608 WeakPolarHBondContact CD-O 3.27Å; G606-L608 PolarHBondContact O-N 2.81Å; L608-Y610 HydrophobicContact CB-CD2 3.79Å; L608-Y610 HydrophobicContact CB-CE2 4.17Å; L608-Y610 WeakPolarHBondContact O-CD2 3.35Å; L608-Y610 PolarHBondContact O-N 2.89Å; L608-L637 HydrophobicContact CD1-CD2 3.75Å; L608-F647 HydrophobicContact CD1-CE2 4.16Å; L608-F647 HydrophobicContact CD1-CZ 3.91Å; L608-F647 HydrophobicContact CD2-CZ 4.45Å; L608-C689 PolarHBondContact N-O 3.12Å; L608-R691 HydrophobicContact CD1-CB 3.69Å; L608-R691 HydrophobicContact CD1-CG 4.1Å; L608-R691 HydrophobicContact CG-CB 4.01Å; L608-R691 HydrophobicContact CG-CG 4.3Å; L608-L693 HydrophobicContact CD1-CD1 3.62Å
609	N	98.1	Very high	96.8	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	13%	0.13	C	C	.	.			trans	55.2	9.4	173	-112.5	-69.9	0	0	0	117.6	S564 R572 D607 R611 C689	S564-N609 VanDerWaalsContact CA-CG 3.5Å; S564-N609 VanDerWaalsContact CA-OD1 3.32Å; S564-N609 WeakPolarHBondContact CA-OD1 3.15Å; S564-N609 VanDerWaalsContact CB-OD1 3.23Å; S564-N609 WeakPolarHBondContact CB-OD1 3.4Å; R572-N609 PolarHBondContact NH1-O 2.97Å; D607-N609 PolarHBondContact O-N 3.38Å; D607-N609 WeakPolarHBondContact OD1-CA 3.36Å; D607-N609 VanDerWaalsContact OD1-CG 3.28Å; D607-N609 PolarHBondContact OD1-N 3.41Å; D607-N609 PolarHBondContact OD1-ND2 2.6Å; D607-N609 PolarHBondContact OD2-ND2 3.13Å; N609-R611 WeakPolarHBondContact O-CG 3.4Å; N609-R611 PolarHBondContact O-NE 3.43Å; N609-R611 VanDerWaalsContact O-NE 3.13Å; N609-R611 PolarHBondContact OD1-NE 3.26Å; N609-R611 PolarHBondContact OD1-NH2 2.87Å; N609-C689 PolarHBondContact N-O 3.16Å
610	Y	98.5	Very high	96.8	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.141	C	C	.	.			trans	-62.5	148.4	169.3	-70.1	-87.9	0	0	0	110.7	L562 T569 R572 N573 L608 Q636 L637	L562-Y610 HydrophobicContact CD1-CE2 4.16Å; T569-Y610 HydrophobicContact CG2-CD1 4.42Å; T569-Y610 HydrophobicContact CG2-CE1 4.16Å; R572-Y610 HydrophobicContact CB-CE1 3.9Å; R572-Y610 HydrophobicContact CB-CE2 4.05Å; N573-Y610 PolarHBondContact OD1-OH 2.97Å; L608-Y610 HydrophobicContact CB-CD2 3.79Å; L608-Y610 HydrophobicContact CB-CE2 4.17Å; L608-Y610 WeakPolarHBondContact O-CD2 3.35Å; L608-Y610 PolarHBondContact O-N 2.89Å; Y610-Q636 HydrophobicContact CD1-CB 3.81Å; Y610-Q636 HydrophobicContact CG-CB 4.49Å; Y610-L637 HydrophobicContact CD1-CB 4.23Å; Y610-L637 HydrophobicContact CD2-CB 3.89Å; Y610-L637 HydrophobicContact CD2-CD1 4.06Å; Y610-L637 HydrophobicContact CD2-CD2 4.46Å; Y610-L637 HydrophobicContact CD2-CG 4.35Å; Y610-L637 HydrophobicContact CE2-CB 4.49Å; Y610-L637 HydrophobicContact CE2-CD1 3.84Å; Y610-L637 HydrophobicContact CG-CB 3.75Å
611	R	97.4	Very high	96.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.008	16%	0.156	C	C	.	.			trans	-122.4	168.9	-168.4	-55.1	-62.1	-179.9	94.5	-14.2	112.3	N566 N609 Q636 N684 S687	N566-R611 HydrophobicContact CB-CB 4.39Å; N566-R611 HydrophobicContact CB-CG 4.36Å; N566-R611 WeakPolarHBondContact OD1-CG 3.38Å; N566-R611 PolarHBondContact OD1-NH1 2.85Å; N609-R611 WeakPolarHBondContact O-CG 3.4Å; N609-R611 PolarHBondContact O-NE 3.43Å; N609-R611 VanDerWaalsContact O-NE 3.13Å; N609-R611 PolarHBondContact OD1-NE 3.26Å; N609-R611 PolarHBondContact OD1-NH2 2.87Å; R611-Q636 WeakPolarHBondContact O-CB 3.35Å; R611-Q636 WeakPolarHBondContact O-CG 3.49Å; R611-Q636 PolarHBondContact O-N 2.98Å; R611-N684 PolarHBondContact NH1-OD1 3.17Å; R611-S687 VanDerWaalsContact CA-OG 3.29Å; R611-S687 WeakPolarHBondContact CA-OG 3.23Å; R611-S687 WeakPolarHBondContact CD-OG 3.27Å
612	L	97.4	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-82.3	133.4	164.8	-60	-172.1	0	0	0	110.2	M614 I619 L631 V634 D635 V685 P686 S687 W688	L612-M614 PolarHBondContact O-N 2.85Å; L612-I619 HydrophobicContact CB-CD1 3.8Å; L612-I619 HydrophobicContact CD1-CD1 3.99Å; L612-I619 HydrophobicContact CD1-CG1 4.02Å; L612-I619 HydrophobicContact CD1-CG2 3.99Å; L612-L631 HydrophobicContact CD1-CB 3.98Å; L612-L631 HydrophobicContact CD1-CD1 4.26Å; L612-L631 HydrophobicContact CD1-CD2 4.32Å; L612-L631 HydrophobicContact CD1-CG 4.43Å; L612-L631 WeakPolarHBondContact CD2-O 3.21Å; L612-V634 HydrophobicContact CD2-CG2 4.46Å; L612-D635 HydrophobicContact CD2-CB 4.09Å; L612-V685 HydrophobicContact CB-CG2 4.27Å; L612-P686 WeakPolarHBondContact CD1-O 3.29Å; L612-P686 WeakPolarHBondContact CG-O 3.47Å; L612-S687 PolarHBondContact N-OG 2.87Å; L612-S687 VanDerWaalsContact N-OG 3.07Å; L612-W688 HydrophobicContact CD1-CZ3 4.26Å; L612-W688 HydrophobicContact CD2-CE3 3.82Å; L612-W688 HydrophobicContact CD2-CZ3 3.82Å
613	D	92.8	Very high	96.6	Very high	112 Å²	112	34.9 Å²	34.9	60%	0.599	17%	0.173	S	C	*	.			trans	-97.2	66.6	176.4	-154.6	23.8	0	0	0	110	V634	D613-V634 HydrophobicContact CB-CB 4.49Å; D613-V634 PolarHBondContact N-O 2.99Å
614	M	93.6	Very high	96.4	Very high	41 Å²	41	39 Å²	39	20%	0.202	20%	0.202	C	C	.	.	S	Bend	trans	-158.2	156.2	-174.3	175.1	-177.5	-78	0	0	111	L612 E618 I619 Y622 L631 V634	L612-M614 PolarHBondContact O-N 2.85Å; M614-E618 HydrophobicContact CG-CB 3.86Å; M614-E618 HydrophobicContact SD-CB 3.78Å; M614-I619 HydrophobicContact CB-CD1 4.03Å; M614-I619 HydrophobicContact CB-CG1 3.96Å; M614-I619 HydrophobicContact CG-CD1 4.36Å; M614-I619 HydrophobicContact CG-CG1 3.82Å; M614-I619 WeakPolarHBondContact O-CD1 3.35Å; M614-I619 HydrophobicContact SD-CG1 3.84Å; M614-Y622 HydrophobicContact CE-CE2 4.18Å; M614-Y622 HydrophobicContact SD-CD2 4.04Å; M614-Y622 HydrophobicContact SD-CE2 4.1Å; M614-L631 HydrophobicContact CE-CD2 4.31Å; M614-L631 HydrophobicContact SD-CD2 3.45Å; M614-L631 WeakPolarHBondContact SD-CD2 3.43Å; M614-V634 HydrophobicContact CB-CG2 3.95Å; M614-V634 HydrophobicContact CE-CG1 4.33Å; M614-V634 HydrophobicContact CE-CG2 3.97Å; M614-V634 HydrophobicContact SD-CG2 4.48Å
615	D	92.1	Very high	96.3	Very high	120 Å²	120	46 Å²	46	64%	0.642	23%	0.229	S	C	*	.			trans	-67.4	143.9	179.7	-108	-48.1	0	0	0	114	Q617 E618 I619	D615-Q617 VanDerWaalsContact C-N 3.27Å; D615-Q617 PolarHBondContact O-N 2.82Å; D615-E618 HydrophobicContact CB-CG 4.41Å; D615-E618 PolarHBondContact O-N 3.18Å; D615-E618 VanDerWaalsContact O-N 3.09Å; D615-I619 WeakPolarHBondContact O-CG1 3.31Å; D615-I619 PolarHBondContact O-N 3.28Å
616	I	93	Very high	96.2	Very high	16 Å²	16	53.5 Å²	53.5	8%	0.082	26%	0.261	C	S	.	.	H	α-helix	trans	-57.6	-36.9	-174.8	-177.7	58.4	0	0	0	113.2	L620 W673 V685 P686	I616-L620 HydrophobicContact CD1-CD1 3.95Å; I616-L620 HydrophobicContact CD1-CG 3.97Å; I616-L620 HydrophobicContact CG1-CD1 3.95Å; I616-L620 HydrophobicContact CG1-CG 4.39Å; I616-L620 WeakPolarHBondContact O-CB 3.31Å; I616-L620 VanDerWaalsContact O-CG 3.28Å; I616-L620 WeakPolarHBondContact O-CG 3.39Å; I616-L620 PolarHBondContact O-N 3.01Å; I616-W673 HydrophobicContact CD1-CB 3.63Å; I616-W673 HydrophobicContact CD1-CD2 4.18Å; I616-W673 HydrophobicContact CD1-CG 3.64Å; I616-W673 HydrophobicContact CG1-CB 4.19Å; I616-W673 HydrophobicContact CG1-CD2 3.75Å; I616-W673 HydrophobicContact CG1-CE3 4.1Å; I616-W673 HydrophobicContact CG1-CG 3.79Å; I616-V685 HydrophobicContact CB-CG1 4.22Å; I616-V685 HydrophobicContact CD1-CB 4.41Å; I616-V685 HydrophobicContact CD1-CG1 4.35Å; I616-P686 VanDerWaalsContact CD1-CD 3.4Å; I616-P686 HydrophobicContact CD1-CG 4.28Å
617	Q	92.8	Very high	96.1	Very high	115 Å²	115	57.5 Å²	57.5	54%	0.537	28%	0.28	S	S	.	.	H	α-helix	trans	-69.8	-37.5	-179.7	-63.6	-60.4	-31.7	0	0	111.7	D615 N621	D615-Q617 VanDerWaalsContact C-N 3.27Å; D615-Q617 PolarHBondContact O-N 2.82Å; Q617-N621 WeakPolarHBondContact O-CB 3.5Å; Q617-N621 PolarHBondContact O-N 3.44Å; Q617-N621 VanDerWaalsContact O-N 3.08Å; Q617-N621 PolarHBondContact O-ND2 2.62Å
618	E	95.8	Very high	96	Very high	101 Å²	101	58.8 Å²	58.8	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-69.7	-45.3	176.7	-58.3	-159.3	134.2	0	0	110.7	M614 D615 L620 N621 Y622	M614-E618 HydrophobicContact CG-CB 3.86Å; M614-E618 HydrophobicContact SD-CB 3.78Å; D615-E618 HydrophobicContact CB-CG 4.41Å; D615-E618 PolarHBondContact O-N 3.18Å; D615-E618 VanDerWaalsContact O-N 3.09Å; E618-L620 PolarHBondContact O-N 2.64Å; E618-N621 WeakPolarHBondContact O-CB 3.37Å; E618-N621 PolarHBondContact O-N 2.97Å; E618-N621 VanDerWaalsContact O-N 3.16Å; E618-Y622 HydrophobicContact CB-CD2 4.44Å; E618-Y622 HydrophobicContact CB-CE2 4.31Å; E618-Y622 WeakPolarHBondContact O-CD2 3.37Å; E618-Y622 PolarHBondContact O-N 2.98Å
619	I	96.8	Very high	96	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.8	-49.9	176.6	-66.5	168.8	0	0	0	111	L612 M614 D615 N621 Y622 I623 L631 V685 P686	L612-I619 HydrophobicContact CB-CD1 3.8Å; L612-I619 HydrophobicContact CD1-CD1 3.99Å; L612-I619 HydrophobicContact CD1-CG1 4.02Å; L612-I619 HydrophobicContact CD1-CG2 3.99Å; M614-I619 HydrophobicContact CB-CD1 4.03Å; M614-I619 HydrophobicContact CB-CG1 3.96Å; M614-I619 HydrophobicContact CG-CD1 4.36Å; M614-I619 HydrophobicContact CG-CG1 3.82Å; M614-I619 WeakPolarHBondContact O-CD1 3.35Å; M614-I619 HydrophobicContact SD-CG1 3.84Å; D615-I619 WeakPolarHBondContact O-CG1 3.31Å; D615-I619 PolarHBondContact O-N 3.28Å; I619-N621 PolarHBondContact O-N 3.04Å; I619-Y622 PolarHBondContact O-N 3Å; I619-I623 HydrophobicContact CG2-CD1 3.6Å; I619-I623 HydrophobicContact CG2-CG1 4.36Å; I619-I623 WeakPolarHBondContact O-CB 3.17Å; I619-I623 VanDerWaalsContact O-CG1 3.22Å; I619-I623 WeakPolarHBondContact O-CG1 3.08Å; I619-I623 PolarHBondContact O-N 2.74Å; I619-L631 HydrophobicContact CB-CD2 4.49Å; I619-L631 HydrophobicContact CG1-CD2 4.13Å; I619-L631 HydrophobicContact CG2-CD1 4.5Å; I619-V685 HydrophobicContact CD1-CB 3.64Å; I619-V685 HydrophobicContact CD1-CG1 4.08Å; I619-V685 HydrophobicContact CD1-CG2 3.8Å; I619-P686 HydrophobicContact CG2-CB 3.77Å; I619-P686 HydrophobicContact CG2-CG 3.77Å
620	L	95.7	Very high	95.9	Very high	51 Å²	51	65.1 Å²	65.1	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-37.3	178.8	-68.7	173.5	0	0	0	112.4	I616 E618 S624 Y671 P686	I616-L620 HydrophobicContact CD1-CD1 3.95Å; I616-L620 HydrophobicContact CD1-CG 3.97Å; I616-L620 HydrophobicContact CG1-CD1 3.95Å; I616-L620 HydrophobicContact CG1-CG 4.39Å; I616-L620 WeakPolarHBondContact O-CB 3.31Å; I616-L620 VanDerWaalsContact O-CG 3.28Å; I616-L620 WeakPolarHBondContact O-CG 3.39Å; I616-L620 PolarHBondContact O-N 3.01Å; E618-L620 PolarHBondContact O-N 2.64Å; L620-S624 WeakPolarHBondContact O-CB 3.08Å; L620-S624 PolarHBondContact O-N 2.97Å; L620-Y671 HydrophobicContact CD2-CD2 4.31Å; L620-P686 HydrophobicContact CD2-CG 4.24Å
621	N	96.8	Very high	95.9	Very high	80 Å²	80	65 Å²	65	43%	0.428	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-50	174.3	-85.9	-58.4	0	0	0	111.8	Q617 E618 I619 S624 R625	Q617-N621 WeakPolarHBondContact O-CB 3.5Å; Q617-N621 PolarHBondContact O-N 3.44Å; Q617-N621 VanDerWaalsContact O-N 3.08Å; Q617-N621 PolarHBondContact O-ND2 2.62Å; E618-N621 WeakPolarHBondContact O-CB 3.37Å; E618-N621 PolarHBondContact O-N 2.97Å; E618-N621 VanDerWaalsContact O-N 3.16Å; I619-N621 PolarHBondContact O-N 3.04Å; N621-S624 PolarHBondContact O-N 3.4Å; N621-S624 PolarHBondContact O-OG 2.64Å; N621-R625 WeakPolarHBondContact O-CG 3.37Å; N621-R625 PolarHBondContact O-N 3.42Å
622	Y	97.9	Very high	96	Very high	65 Å²	65	66 Å²	66	26%	0.255	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-41.7	178.8	-74.1	-58.9	0	0	0	112.5	M614 E618 I619 S624 R625 K626 E627 P630 L631	M614-Y622 HydrophobicContact CE-CE2 4.18Å; M614-Y622 HydrophobicContact SD-CD2 4.04Å; M614-Y622 HydrophobicContact SD-CE2 4.1Å; E618-Y622 HydrophobicContact CB-CD2 4.44Å; E618-Y622 HydrophobicContact CB-CE2 4.31Å; E618-Y622 WeakPolarHBondContact O-CD2 3.37Å; E618-Y622 PolarHBondContact O-N 2.98Å; I619-Y622 PolarHBondContact O-N 3Å; Y622-S624 PolarHBondContact O-N 3.09Å; Y622-R625 PolarHBondContact O-N 3.35Å; Y622-K626 PolarHBondContact O-N 3.13Å; Y622-K626 VanDerWaalsContact O-N 3.09Å; Y622-E627 HydrophobicContact CD1-CB 3.98Å; Y622-E627 PolarHBondContact O-N 2.97Å; Y622-P630 HydrophobicContact CD1-CB 4.19Å; Y622-P630 HydrophobicContact CD1-CG 3.96Å; Y622-P630 HydrophobicContact CD2-CB 4.41Å; Y622-P630 HydrophobicContact CE1-CB 3.95Å; Y622-P630 HydrophobicContact CE1-CG 3.76Å; Y622-P630 HydrophobicContact CE2-CB 4.18Å; Y622-P630 HydrophobicContact CG-CB 4.43Å; Y622-L631 HydrophobicContact CD2-CD2 3.69Å; Y622-L631 HydrophobicContact CG-CD2 4.12Å; Y622-L631 HydrophobicContact CG-CG 4.48Å
623	I	96.6	Very high	96	Very high	23 Å²	23	73.1 Å²	73.1	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-43.9	174.2	-69.3	169.7	0	0	0	111.2	I619 R625 K626 L631 P659 Y671 P686	I619-I623 HydrophobicContact CG2-CD1 3.6Å; I619-I623 HydrophobicContact CG2-CG1 4.36Å; I619-I623 WeakPolarHBondContact O-CB 3.17Å; I619-I623 VanDerWaalsContact O-CG1 3.22Å; I619-I623 WeakPolarHBondContact O-CG1 3.08Å; I619-I623 PolarHBondContact O-N 2.74Å; I623-R625 PolarHBondContact O-N 2.83Å; I623-K626 PolarHBondContact O-N 3.04Å; I623-L631 HydrophobicContact CG1-CD1 3.85Å; I623-P659 HydrophobicContact CD1-CG 3.85Å; I623-P659 HydrophobicContact CG1-CG 4.3Å; I623-Y671 HydrophobicContact CD1-CE2 4.06Å; I623-Y671 HydrophobicContact CG2-CE2 3.94Å; I623-P686 HydrophobicContact CD1-CB 3.67Å; I623-P686 HydrophobicContact CD1-CG 3.97Å
624	S	95.7	Very high	96.2	Very high	87 Å²	87	69.4 Å²	69.4	61%	0.608	33%	0.331	S	S	*	.	H	α-helix	trans	-59.9	-29.6	-179.5	77.7	0	0	0	0	113.3	L620 N621 Y622	L620-S624 WeakPolarHBondContact O-CB 3.08Å; L620-S624 PolarHBondContact O-N 2.97Å; N621-S624 PolarHBondContact O-N 3.4Å; N621-S624 PolarHBondContact O-OG 2.64Å; Y622-S624 PolarHBondContact O-N 3.09Å
625	R	96.6	Very high	96.5	Very high	146 Å²	146	67.4 Å²	67.4	55%	0.551	32%	0.321	S	S	*	.	H	α-helix	trans	-90	-9.7	176.6	-60.2	170.7	-170.4	175	6.2	113.5	N621 Y622 I623 E627	N621-R625 WeakPolarHBondContact O-CG 3.37Å; N621-R625 PolarHBondContact O-N 3.42Å; Y622-R625 PolarHBondContact O-N 3.35Å; I623-R625 PolarHBondContact O-N 2.83Å; R625-E627 HydrophobicContact CB-CB 4.26Å; R625-E627 HydrophobicContact CB-CG 3.72Å; R625-E627 WeakPolarHBondContact CD-OE2 3.26Å; R625-E627 IonicContact NE-OE2 2.64Å; R625-E627 IonicContact NH1-OE2 2.9Å; R625-E627 PolarHBondContact NH1-OE2 3.25Å; R625-E627 PolarHBondContact O-N 3.36Å
626	K	95.4	Very high	96.8	Very high	159 Å²	159	62.3 Å²	62.3	69%	0.691	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	30.1	-169.1	-50.7	-174.6	-179.3	-171.9	0	113	Y622 I623 F628	Y622-K626 PolarHBondContact O-N 3.13Å; Y622-K626 VanDerWaalsContact O-N 3.09Å; I623-K626 PolarHBondContact O-N 3.04Å; K626-F628 HydrophobicContact CB-CE1 4.35Å; K626-F628 HydrophobicContact CB-CE2 4.43Å; K626-F628 HydrophobicContact CB-CZ 3.97Å; K626-F628 HydrophobicContact CG-CZ 4.35Å; K626-F628 PolarHBondContact O-N 3.38Å
627	E	97	Very high	97.1	Very high	84 Å²	84	61.6 Å²	61.6	39%	0.393	29%	0.289	S	S	.	.			trans	-87.7	75.5	175.8	-71.2	172.8	170.5	0	0	108.9	Y622 R625 P630	Y622-E627 HydrophobicContact CD1-CB 3.98Å; Y622-E627 PolarHBondContact O-N 2.97Å; R625-E627 HydrophobicContact CB-CB 4.26Å; R625-E627 HydrophobicContact CB-CG 3.72Å; R625-E627 WeakPolarHBondContact CD-OE2 3.26Å; R625-E627 IonicContact NE-OE2 2.64Å; R625-E627 IonicContact NH1-OE2 2.9Å; R625-E627 PolarHBondContact NH1-OE2 3.25Å; R625-E627 PolarHBondContact O-N 3.36Å; E627-P630 WeakPolarHBondContact O-CD 3.39Å
628	F	97.9	Very high	97.3	Very high	27 Å²	27	58.1 Å²	58.1	12%	0.118	28%	0.275	C	S	.	.			trans	-77.4	-25.5	-175.4	-53.1	-41	0	0	0	114	K626 L631 L632 P658 W688	K626-F628 HydrophobicContact CB-CE1 4.35Å; K626-F628 HydrophobicContact CB-CE2 4.43Å; K626-F628 HydrophobicContact CB-CZ 3.97Å; K626-F628 HydrophobicContact CG-CZ 4.35Å; K626-F628 PolarHBondContact O-N 3.38Å; F628-L631 WeakPolarHBondContact O-CA 3.25Å; F628-L631 VanDerWaalsContact O-CB 3.31Å; F628-L631 WeakPolarHBondContact O-CB 3.32Å; F628-L631 PolarHBondContact O-N 2.78Å; F628-L632 HydrophobicContact CB-CD1 4.36Å; F628-L632 WeakPolarHBondContact O-CG 3.49Å; F628-L632 PolarHBondContact O-N 3.23Å; F628-P658 HydrophobicContact CE1-CB 3.74Å; F628-P658 HydrophobicContact CZ-CB 3.69Å; F628-P658 HydrophobicContact CZ-CG 4.35Å; F628-W688 HydrophobicContact CB-CH2 3.96Å; F628-W688 HydrophobicContact CB-CZ2 4.04Å; F628-W688 HydrophobicContact CD1-CH2 4.5Å; F628-W688 HydrophobicContact CD1-CZ2 4.25Å; F628-W688 HydrophobicContact CG-CH2 4.45Å; F628-W688 HydrophobicContact CG-CZ2 4.15Å
629	E	97.3	Very high	97.5	Very high	105 Å²	105	55.3 Å²	55.3	49%	0.491	26%	0.263	S	S	.	.	H	α-helix	trans	-55.4	-44.9	-176.3	167.6	62.1	-165	0	0	114.4	L631 L632 R633	E629-L631 VanDerWaalsContact C-N 3.26Å; E629-L631 PolarHBondContact O-N 3.12Å; E629-L632 PolarHBondContact O-N 2.92Å; E629-R633 VanDerWaalsContact CG-NH2 3.28Å; E629-R633 WeakPolarHBondContact O-CG 3.41Å; E629-R633 IonicContact OE1-CZ 2.65Å; E629-R633 IonicContact OE1-NE 2.54Å; E629-R633 PolarHBondContact OE1-NE 2.87Å; E629-R633 IonicContact OE1-NH2 2.81Å; E629-R633 PolarHBondContact OE1-NH2 2.78Å
630	P	98	Very high	97.5	Very high	32 Å²	32	55.9 Å²	55.9	21%	0.208	27%	0.266	C	S	.	.	H	α-helix	trans	-59.7	-33.2	171.9	-25.5	35.8	0	0	0	114	Y622 E627	Y622-P630 HydrophobicContact CD1-CB 4.19Å; Y622-P630 HydrophobicContact CD1-CG 3.96Å; Y622-P630 HydrophobicContact CD2-CB 4.41Å; Y622-P630 HydrophobicContact CE1-CB 3.95Å; Y622-P630 HydrophobicContact CE1-CG 3.76Å; Y622-P630 HydrophobicContact CE2-CB 4.18Å; Y622-P630 HydrophobicContact CG-CB 4.43Å; E627-P630 WeakPolarHBondContact O-CD 3.39Å
631	L	98.4	Very high	97.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-76.2	-37.2	-179.7	-53.7	-177.8	0	0	0	111.7	L612 M614 I619 Y622 I623 F628 E629 R633 V634 D635 W688	L612-L631 HydrophobicContact CD1-CB 3.98Å; L612-L631 HydrophobicContact CD1-CD1 4.26Å; L612-L631 HydrophobicContact CD1-CD2 4.32Å; L612-L631 HydrophobicContact CD1-CG 4.43Å; L612-L631 WeakPolarHBondContact CD2-O 3.21Å; M614-L631 HydrophobicContact CE-CD2 4.31Å; M614-L631 HydrophobicContact SD-CD2 3.45Å; M614-L631 WeakPolarHBondContact SD-CD2 3.43Å; I619-L631 HydrophobicContact CB-CD2 4.49Å; I619-L631 HydrophobicContact CG1-CD2 4.13Å; I619-L631 HydrophobicContact CG2-CD1 4.5Å; Y622-L631 HydrophobicContact CD2-CD2 3.69Å; Y622-L631 HydrophobicContact CG-CD2 4.12Å; Y622-L631 HydrophobicContact CG-CG 4.48Å; I623-L631 HydrophobicContact CG1-CD1 3.85Å; F628-L631 WeakPolarHBondContact O-CA 3.25Å; F628-L631 VanDerWaalsContact O-CB 3.31Å; F628-L631 WeakPolarHBondContact O-CB 3.32Å; F628-L631 PolarHBondContact O-N 2.78Å; E629-L631 VanDerWaalsContact C-N 3.26Å; E629-L631 PolarHBondContact O-N 3.12Å; L631-R633 PolarHBondContact O-N 3.24Å; L631-V634 CarbonylContact O-C 3.52Å; L631-V634 WeakPolarHBondContact O-CG2 3.44Å; L631-V634 PolarHBondContact O-N 3.26Å; L631-D635 PolarHBondContact O-N 3.18Å; L631-D635 VanDerWaalsContact O-N 3.16Å; L631-W688 HydrophobicContact CB-CH2 3.75Å; L631-W688 HydrophobicContact CB-CZ3 3.66Å; L631-W688 HydrophobicContact CD1-CH2 4.17Å
632	L	98.2	Very high	97.6	Very high	22 Å²	22	59.3 Å²	59.3	12%	0.115	28%	0.275	C	S	.	.	H	α-helix	trans	-66.8	-20.6	-179.9	-70.3	168.4	0	0	0	113.4	F628 E629 V634 N638 I655 W688	F628-L632 HydrophobicContact CB-CD1 4.36Å; F628-L632 WeakPolarHBondContact O-CG 3.49Å; F628-L632 PolarHBondContact O-N 3.23Å; E629-L632 PolarHBondContact O-N 2.92Å; L632-V634 VanDerWaalsContact C-N 3.35Å; L632-N638 PolarHBondContact O-ND2 2.95Å; L632-I655 HydrophobicContact CD1-CB 4.16Å; L632-I655 WeakPolarHBondContact CD1-O 3.3Å; L632-I655 HydrophobicContact CD2-CB 3.79Å; L632-I655 HydrophobicContact CD2-CD1 3.99Å; L632-I655 HydrophobicContact CD2-CG1 4.43Å; L632-I655 HydrophobicContact CD2-CG2 3.88Å; L632-W688 HydrophobicContact CD2-CD2 4.15Å; L632-W688 HydrophobicContact CD2-CE3 3.73Å; L632-W688 HydrophobicContact CD2-CH2 3.86Å; L632-W688 HydrophobicContact CD2-CZ2 4.24Å; L632-W688 HydrophobicContact CD2-CZ3 3.57Å; L632-W688 HydrophobicContact CG-CH2 3.93Å; L632-W688 HydrophobicContact CG-CZ3 3.92Å
633	R	97.9	Very high	97.5	Very high	150 Å²	150	61.5 Å²	61.5	57%	0.566	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.6	172.6	-61.5	170.3	-165.6	160.8	-3.6	113.7	E629 L631	E629-R633 VanDerWaalsContact CG-NH2 3.28Å; E629-R633 WeakPolarHBondContact O-CG 3.41Å; E629-R633 IonicContact OE1-CZ 2.65Å; E629-R633 IonicContact OE1-NE 2.54Å; E629-R633 PolarHBondContact OE1-NE 2.87Å; E629-R633 IonicContact OE1-NH2 2.81Å; E629-R633 PolarHBondContact OE1-NH2 2.78Å; L631-R633 PolarHBondContact O-N 3.24Å
634	V	97.9	Very high	97.4	Very high	33 Å²	33	66.2 Å²	66.2	20%	0.2	31%	0.307	C	S	.	.	S	Bend	trans	-110.5	10.8	174.2	-61.4	0	0	0	0	112.3	L612 D613 M614 L631 L632 Q636	L612-V634 HydrophobicContact CD2-CG2 4.46Å; D613-V634 HydrophobicContact CB-CB 4.49Å; D613-V634 PolarHBondContact N-O 2.99Å; M614-V634 HydrophobicContact CB-CG2 3.95Å; M614-V634 HydrophobicContact CE-CG1 4.33Å; M614-V634 HydrophobicContact CE-CG2 3.97Å; M614-V634 HydrophobicContact SD-CG2 4.48Å; L631-V634 CarbonylContact O-C 3.52Å; L631-V634 WeakPolarHBondContact O-CG2 3.44Å; L631-V634 PolarHBondContact O-N 3.26Å; L632-V634 VanDerWaalsContact C-N 3.35Å; V634-Q636 PolarHBondContact O-N 3.29Å
635	D	98.6	Very high	97.3	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-70.7	117	170	177	71.6	0	0	0	109.6	L612 L631 L637 N638 L639 R691	L612-D635 HydrophobicContact CD2-CB 4.09Å; L631-D635 PolarHBondContact O-N 3.18Å; L631-D635 VanDerWaalsContact O-N 3.16Å; D635-L637 PolarHBondContact O-N 2.81Å; D635-L637 VanDerWaalsContact O-N 3.17Å; D635-L637 WeakPolarHBondContact OD2-CB 3.34Å; D635-L637 PolarHBondContact OD2-N 3.02Å; D635-N638 HydrophobicContact CB-CB 4.23Å; D635-N638 PolarHBondContact O-N 2.91Å; D635-N638 VanDerWaalsContact O-N 3.11Å; D635-N638 VanDerWaalsContact OD2-CG 3.29Å; D635-N638 PolarHBondContact OD2-N 3.06Å; D635-N638 PolarHBondContact OD2-OD1 2.91Å; D635-L639 PolarHBondContact O-N 3.08Å; D635-R691 VanDerWaalsContact CG-NH1 3.25Å; D635-R691 IonicContact OD1-CZ 3.11Å; D635-R691 IonicContact OD1-NH1 3.01Å; D635-R691 PolarHBondContact OD1-NH1 3.29Å; D635-R691 IonicContact OD2-CZ 3.24Å; D635-R691 IonicContact OD2-NH1 2.77Å; D635-R691 PolarHBondContact OD2-NH1 2.87Å; D635-R691 IonicContact OD2-NH2 3.19Å; D635-R691 PolarHBondContact OD2-NH2 3.06Å
636	Q	98.6	Very high	97.3	Very high	13 Å²	13	60 Å²	60	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-28.3	-174.8	-71.1	170.1	-14.3	0	0	113.2	N566 T569 Y610 R611 V634 E640	N566-Q636 PolarHBondContact O-NE2 2.83Å; T569-Q636 PolarHBondContact OG1-NE2 3.22Å; T569-Q636 PolarHBondContact OG1-OE1 2.95Å; T569-Q636 VanDerWaalsContact OG1-OE1 3.09Å; Y610-Q636 HydrophobicContact CD1-CB 3.81Å; Y610-Q636 HydrophobicContact CG-CB 4.49Å; R611-Q636 WeakPolarHBondContact O-CB 3.35Å; R611-Q636 WeakPolarHBondContact O-CG 3.49Å; R611-Q636 PolarHBondContact O-N 2.98Å; V634-Q636 PolarHBondContact O-N 3.29Å; Q636-E640 WeakPolarHBondContact O-CB 3.44Å; Q636-E640 VanDerWaalsContact O-CG 3.26Å; Q636-E640 WeakPolarHBondContact O-CG 3.46Å; Q636-E640 PolarHBondContact O-N 2.86Å
637	L	98.8	Very high	97.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70.5	-43.6	176.1	178.2	58	0	0	0	111.1	L608 Y610 D635 R641 V646 F647 R691 L693	L608-L637 HydrophobicContact CD1-CD2 3.75Å; Y610-L637 HydrophobicContact CD1-CB 4.23Å; Y610-L637 HydrophobicContact CD2-CB 3.89Å; Y610-L637 HydrophobicContact CD2-CD1 4.06Å; Y610-L637 HydrophobicContact CD2-CD2 4.46Å; Y610-L637 HydrophobicContact CD2-CG 4.35Å; Y610-L637 HydrophobicContact CE2-CB 4.49Å; Y610-L637 HydrophobicContact CE2-CD1 3.84Å; Y610-L637 HydrophobicContact CG-CB 3.75Å; D635-L637 PolarHBondContact O-N 2.81Å; D635-L637 VanDerWaalsContact O-N 3.17Å; D635-L637 WeakPolarHBondContact OD2-CB 3.34Å; D635-L637 PolarHBondContact OD2-N 3.02Å; L637-R641 HydrophobicContact CD1-CG 4.04Å; L637-R641 HydrophobicContact CG-CG 4.49Å; L637-R641 VanDerWaalsContact O-CB 3.3Å; L637-R641 WeakPolarHBondContact O-CB 3.37Å; L637-R641 WeakPolarHBondContact O-CD 3.44Å; L637-R641 WeakPolarHBondContact O-CG 3.4Å; L637-R641 PolarHBondContact O-N 2.84Å; L637-V646 HydrophobicContact CD1-CG2 4.09Å; L637-F647 HydrophobicContact CD1-CD2 3.62Å; L637-F647 HydrophobicContact CD1-CE2 3.9Å; L637-R691 HydrophobicContact CD2-CB 4.5Å; L637-R691 HydrophobicContact CD2-CG 4.07Å; L637-L693 HydrophobicContact CD2-CD1 4.18Å; L637-L693 HydrophobicContact CD2-CD2 4.48Å
638	N	98.4	Very high	97.4	Very high	43 Å²	43	49.1 Å²	49.1	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-47.7	173.7	-67.6	-16.9	0	0	0	111.2	L632 D635 E640 R641 E642 R691	L632-N638 PolarHBondContact O-ND2 2.95Å; D635-N638 HydrophobicContact CB-CB 4.23Å; D635-N638 PolarHBondContact O-N 2.91Å; D635-N638 VanDerWaalsContact O-N 3.11Å; D635-N638 VanDerWaalsContact OD2-CG 3.29Å; D635-N638 PolarHBondContact OD2-N 3.06Å; D635-N638 PolarHBondContact OD2-OD1 2.91Å; N638-E640 PolarHBondContact O-N 2.82Å; N638-R641 PolarHBondContact O-N 2.84Å; N638-E642 WeakPolarHBondContact O-CB 3.43Å; N638-E642 PolarHBondContact O-N 2.99Å; N638-R691 PolarHBondContact OD1-NH2 3.44Å
639	L	98.3	Very high	97.2	Very high	42 Å²	42	52.1 Å²	52.1	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-42.4	179.6	-72.5	171.3	0	0	0	113.4	D635 K643	D635-L639 PolarHBondContact O-N 3.08Å; L639-K643 WeakPolarHBondContact O-CD 3.34Å; L639-K643 VanDerWaalsContact O-CE 3.25Å; L639-K643 WeakPolarHBondContact O-CE 3.42Å; L639-K643 VanDerWaalsContact O-CG 3.23Å; L639-K643 WeakPolarHBondContact O-CG 3.43Å; L639-K643 PolarHBondContact O-N 2.89Å; L639-K643 VanDerWaalsContact O-N 3.16Å
640	E	98.1	Very high	97.3	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-79.9	-20.9	-179.6	-61.4	-73.5	96.1	0	0	112.5	T569 N573 Q636 N638 K643 K645 V646	T569-E640 HydrophobicContact CG2-CG 3.7Å; N573-E640 PolarHBondContact ND2-OE2 2.6Å; Q636-E640 WeakPolarHBondContact O-CB 3.44Å; Q636-E640 VanDerWaalsContact O-CG 3.26Å; Q636-E640 WeakPolarHBondContact O-CG 3.46Å; Q636-E640 PolarHBondContact O-N 2.86Å; N638-E640 PolarHBondContact O-N 2.82Å; E640-K643 VanDerWaalsContact OE1-CD 3.3Å; E640-K643 WeakPolarHBondContact OE1-CD 3.11Å; E640-K643 WeakPolarHBondContact OE1-CE 3.36Å; E640-K643 IonicContact OE1-NZ 3.99Å; E640-K643 PolarHBondContact OE1-NZ 2.86Å; E640-K645 VanDerWaalsContact CD-NZ 3.31Å; E640-K645 PolarHBondContact O-N 3.37Å; E640-K645 IonicContact OE1-NZ 2.69Å; E640-K645 PolarHBondContact OE1-NZ 2.9Å; E640-K645 WeakPolarHBondContact OE2-CD 3.25Å; E640-K645 IonicContact OE2-NZ 3.2Å; E640-K645 PolarHBondContact OE2-NZ 2.83Å; E640-V646 HydrophobicContact CB-CG2 3.84Å
641	R	97.8	Very high	97.3	Very high	51 Å²	51	49 Å²	49	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-71	-44.3	166.8	-77.4	167.7	69.4	-157.9	8.3	112.2	L637 N638 K643 H644 V646 F647 F650 E652	L637-R641 HydrophobicContact CD1-CG 4.04Å; L637-R641 HydrophobicContact CG-CG 4.49Å; L637-R641 VanDerWaalsContact O-CB 3.3Å; L637-R641 WeakPolarHBondContact O-CB 3.37Å; L637-R641 WeakPolarHBondContact O-CD 3.44Å; L637-R641 WeakPolarHBondContact O-CG 3.4Å; L637-R641 PolarHBondContact O-N 2.84Å; N638-R641 PolarHBondContact O-N 2.84Å; R641-K643 VanDerWaalsContact C-N 3.28Å; R641-K643 PolarHBondContact O-N 2.88Å; R641-H644 WeakPolarHBondContact O-CA 3.45Å; R641-H644 PolarHBondContact O-CD2 3.29Å; R641-H644 PolarHBondContact O-N 3.01Å; R641-V646 HydrophobicContact CG-CG2 4.16Å; R641-F647 HydrophobicContact CG-CB 4.07Å; R641-F650 PolarHBondContact NH2-O 2.82Å; R641-E652 IonicContact NH1-OE2 2.67Å; R641-E652 PolarHBondContact NH1-OE2 3.24Å
642	E	96.3	Very high	97.3	Very high	151 Å²	151	50.4 Å²	50.4	71%	0.706	23%	0.232	S	C	*	.	H	α-helix	trans	-62.1	-36.9	176.3	-175.5	174.2	-148.8	0	0	111.6	N638 H644	N638-E642 WeakPolarHBondContact O-CB 3.43Å; N638-E642 PolarHBondContact O-N 2.99Å; E642-H644 PolarHBondContact O-N 2.92Å
643	K	95.8	Very high	97.3	Very high	112 Å²	112	51.4 Å²	51.4	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	6.8	171.1	-62.4	167.7	-144.2	164.7	0	114	L639 E640 R641 K645	L639-K643 WeakPolarHBondContact O-CD 3.34Å; L639-K643 VanDerWaalsContact O-CE 3.25Å; L639-K643 WeakPolarHBondContact O-CE 3.42Å; L639-K643 VanDerWaalsContact O-CG 3.23Å; L639-K643 WeakPolarHBondContact O-CG 3.43Å; L639-K643 PolarHBondContact O-N 2.89Å; L639-K643 VanDerWaalsContact O-N 3.16Å; E640-K643 VanDerWaalsContact OE1-CD 3.3Å; E640-K643 WeakPolarHBondContact OE1-CD 3.11Å; E640-K643 WeakPolarHBondContact OE1-CE 3.36Å; E640-K643 IonicContact OE1-NZ 3.99Å; E640-K643 PolarHBondContact OE1-NZ 2.86Å; R641-K643 VanDerWaalsContact C-N 3.28Å; R641-K643 PolarHBondContact O-N 2.88Å; K643-K645 HydrophobicContact CB-CD 4.28Å; K643-K645 HydrophobicContact CB-CG 4.21Å; K643-K645 PolarHBondContact O-N 3.24Å; K643-K645 VanDerWaalsContact O-N 3.1Å
644	H	94.1	Very high	97.3	Very high	121 Å²	121	51.4 Å²	51.4	56%	0.56	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	22	-178.3	-60.2	149.8	0	0	0	116.2	R641 E642 L648	R641-H644 WeakPolarHBondContact O-CA 3.45Å; R641-H644 PolarHBondContact O-CD2 3.29Å; R641-H644 PolarHBondContact O-N 3.01Å; E642-H644 PolarHBondContact O-N 2.92Å; H644-L648 HydrophobicContact CB-CD1 4.23Å
645	K	94	Very high	97.3	Very high	102 Å²	102	50.5 Å²	50.5	44%	0.443	24%	0.236	S	C	.	.	S	Bend	trans	-81.8	-28.6	-178.5	-67.9	172.4	173.6	-179.8	0	113.8	E640 K643	E640-K645 VanDerWaalsContact CD-NZ 3.31Å; E640-K645 PolarHBondContact O-N 3.37Å; E640-K645 IonicContact OE1-NZ 2.69Å; E640-K645 PolarHBondContact OE1-NZ 2.9Å; E640-K645 WeakPolarHBondContact OE2-CD 3.25Å; E640-K645 IonicContact OE2-NZ 3.2Å; E640-K645 PolarHBondContact OE2-NZ 2.83Å; K643-K645 HydrophobicContact CB-CD 4.28Å; K643-K645 HydrophobicContact CB-CG 4.21Å; K643-K645 PolarHBondContact O-N 3.24Å; K643-K645 VanDerWaalsContact O-N 3.1Å
646	V	97.6	Very high	97.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	25%	0.253	C	S	.	.	S	Bend	trans	-141.6	156.2	-176	-64	0	0	0	0	111.6	N573 Y576 L637 E640 R641 L648	N573-V646 HydrophobicContact CB-CG1 3.53Å; N573-V646 VanDerWaalsContact CG-CG1 3.44Å; N573-V646 WeakPolarHBondContact OD1-CG1 3.26Å; Y576-V646 HydrophobicContact CD1-CB 3.99Å; Y576-V646 HydrophobicContact CD1-CG1 3.91Å; Y576-V646 HydrophobicContact CE1-CB 4.3Å; Y576-V646 HydrophobicContact CG-CB 4.35Å; Y576-V646 HydrophobicContact CG-CG1 4.37Å; L637-V646 HydrophobicContact CD1-CG2 4.09Å; E640-V646 HydrophobicContact CB-CG2 3.84Å; R641-V646 HydrophobicContact CG-CG2 4.16Å; V646-L648 PolarHBondContact O-N 3Å; V646-L648 VanDerWaalsContact O-N 3.16Å
647	F	97.8	Very high	97.3	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.013	25%	0.25	C	C	.	.	S	Bend	trans	48.8	42.7	176.3	-65.7	-82.6	0	0	0	113.1	Y576 W604 L608 L637 R641 R649 F650 L693	Y576-F647 AromaticContact CD2-CD1 3.99Å; Y576-F647 HydrophobicContact CD2-CD1 3.99Å; Y576-F647 HydrophobicContact CD2-CD2 4.02Å; Y576-F647 AromaticContact CD2-CE1 3.8Å; Y576-F647 HydrophobicContact CD2-CE1 3.8Å; Y576-F647 AromaticContact CD2-CE2 3.83Å; Y576-F647 HydrophobicContact CD2-CE2 3.83Å; Y576-F647 HydrophobicContact CD2-CG 4.1Å; Y576-F647 AromaticContact CD2-CZ 3.72Å; Y576-F647 HydrophobicContact CD2-CZ 3.72Å; Y576-F647 HydrophobicContact CE2-CB 4.47Å; Y576-F647 AromaticContact CE2-CD1 3.74Å; Y576-F647 HydrophobicContact CE2-CD1 3.74Å; Y576-F647 HydrophobicContact CE2-CD2 4.26Å; Y576-F647 AromaticContact CE2-CE1 3.97Å; Y576-F647 HydrophobicContact CE2-CE1 3.97Å; Y576-F647 HydrophobicContact CE2-CE2 4.46Å; Y576-F647 AromaticContact CE2-CG 3.9Å; Y576-F647 HydrophobicContact CE2-CG 3.9Å; Y576-F647 HydrophobicContact CE2-CZ 4.33Å; Y576-F647 HydrophobicContact CG-CE2 4.34Å; Y576-F647 PolarHBondContact OH-N 3.46Å; W604-F647 HydrophobicContact CB-CE1 4.15Å; W604-F647 AromaticContact CD1-CE1 3.92Å; W604-F647 AromaticContact CD2-CE1 3.71Å; W604-F647 HydrophobicContact CD2-CE1 3.71Å; W604-F647 HydrophobicContact CD2-CZ 4.41Å; W604-F647 AromaticContact CE2-CE1 3.96Å; W604-F647 HydrophobicContact CE3-CE1 4.19Å; W604-F647 AromaticContact CG-CE1 3.69Å; W604-F647 HydrophobicContact CG-CE1 3.69Å; W604-F647 HydrophobicContact CG-CZ 4.43Å; L608-F647 HydrophobicContact CD1-CE2 4.16Å; L608-F647 HydrophobicContact CD1-CZ 3.91Å; L608-F647 HydrophobicContact CD2-CZ 4.45Å; L637-F647 HydrophobicContact CD1-CD2 3.62Å; L637-F647 HydrophobicContact CD1-CE2 3.9Å; R641-F647 HydrophobicContact CG-CB 4.07Å; F647-R649 PolarHBondContact O-N 2.93Å; F647-F650 VanDerWaalsContact C-CD2 3.5Å; F647-F650 HydrophobicContact CB-CB 4.08Å; F647-F650 HydrophobicContact CB-CD2 4.17Å; F647-F650 HydrophobicContact CB-CG 4.21Å; F647-F650 HydrophobicContact CD1-CD1 4.21Å; F647-F650 HydrophobicContact CD1-CD2 4.4Å; F647-F650 HydrophobicContact CD1-CE1 4.44Å; F647-F650 HydrophobicContact CD1-CG 4.19Å; F647-F650 WeakPolarHBondContact O-CB 3.31Å; F647-F650 WeakPolarHBondContact O-CD2 3.4Å; F647-F650 PolarHBondContact O-N 2.99Å; F647-L693 HydrophobicContact CB-CD2 4.21Å; F647-L693 HydrophobicContact CD1-CD2 4.19Å; F647-L693 HydrophobicContact CG-CD2 4.13Å
648	L	95.1	Very high	97.3	Very high	11 Å²	11	53 Å²	53	6%	0.058	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	120.8	-176.1	178.7	63.6	0	0	0	111.4	H644 V646 F650 E861 E862	H644-L648 HydrophobicContact CB-CD1 4.23Å; V646-L648 PolarHBondContact O-N 3Å; V646-L648 VanDerWaalsContact O-N 3.16Å; L648-F650 VanDerWaalsContact C-N 3.25Å; L648-F650 PolarHBondContact O-N 2.74Å; L648-E861 VanDerWaalsContact CD2-C 3.45Å; L648-E861 WeakPolarHBondContact CD2-O 3.31Å; L648-E862 HydrophobicContact CD2-CB 4.02Å
649	R	95.2	Very high	97.3	Very high	90 Å²	90	51 Å²	51	34%	0.34	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	22	-176.2	-56.6	178.6	-75.6	175.6	-9.9	114.8	F647 F855 S857	F647-R649 PolarHBondContact O-N 2.93Å; R649-F855 PolarHBondContact NH1-O 3.33Å; R649-F855 PolarHBondContact NH2-O 3.43Å; R649-S857 PolarHBondContact NH2-OG 3.43Å
650	F	98.3	Very high	97.3	Very high	11 Å²	11	49 Å²	49	5%	0.048	23%	0.233	C	C	.	.			trans	-87.4	136.8	167	-74.2	-115	0	0	0	111.6	L602 W604 R641 F647 L648 L693 W694 K695	L602-F650 HydrophobicContact CD2-CE1 3.95Å; L602-F650 HydrophobicContact CD2-CZ 3.71Å; L602-F650 HydrophobicContact CG-CE1 4.29Å; W604-F650 HydrophobicContact CB-CE1 4.08Å; W604-F650 HydrophobicContact CE3-CE1 4.3Å; W604-F650 HydrophobicContact CE3-CZ 4.06Å; R641-F650 PolarHBondContact NH2-O 2.82Å; F647-F650 VanDerWaalsContact C-CD2 3.5Å; F647-F650 HydrophobicContact CB-CB 4.08Å; F647-F650 HydrophobicContact CB-CD2 4.17Å; F647-F650 HydrophobicContact CB-CG 4.21Å; F647-F650 HydrophobicContact CD1-CD1 4.21Å; F647-F650 HydrophobicContact CD1-CD2 4.4Å; F647-F650 HydrophobicContact CD1-CE1 4.44Å; F647-F650 HydrophobicContact CD1-CG 4.19Å; F647-F650 WeakPolarHBondContact O-CB 3.31Å; F647-F650 WeakPolarHBondContact O-CD2 3.4Å; F647-F650 PolarHBondContact O-N 2.99Å; L648-F650 VanDerWaalsContact C-N 3.25Å; L648-F650 PolarHBondContact O-N 2.74Å; F650-L693 HydrophobicContact CB-CB 4.42Å; F650-L693 HydrophobicContact CB-CD2 4.42Å; F650-L693 HydrophobicContact CD1-CB 4.26Å; F650-W694 CarbonylContact C-O 3.57Å; F650-W694 WeakPolarHBondContact CA-O 3.46Å; F650-K695 HydrophobicContact CD1-CB 3.79Å; F650-K695 HydrophobicContact CD2-CB 4.16Å; F650-K695 HydrophobicContact CD2-CD 4.08Å; F650-K695 HydrophobicContact CE1-CB 3.84Å; F650-K695 HydrophobicContact CE2-CB 4.23Å; F650-K695 HydrophobicContact CE2-CD 3.85Å; F650-K695 HydrophobicContact CG-CB 3.95Å; F650-K695 HydrophobicContact CZ-CB 4.08Å; F650-K695 HydrophobicContact CZ-CD 4.25Å
651	S	98.5	Very high	97.3	Very high	60 Å²	60	49.2 Å²	49.2	42%	0.42	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	150.1	168.4	-61.4	0	0	0	0	111.5	L693 W694	S651-L693 WeakPolarHBondContact O-CA 3.32Å; S651-L693 WeakPolarHBondContact O-CB 3.31Å; S651-W694 VanDerWaalsContact CB-CE2 3.42Å; S651-W694 PolarHBondContact N-O 3.06Å; S651-W694 PolarHBondContact O-N 2.54Å
652	E	98.8	Very high	97.2	Very high	31 Å²	31	48.9 Å²	48.9	15%	0.145	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.2	164.6	-176.5	169.4	-153.8	0	0	106.6	R641 R691 L693 Y707	R641-E652 IonicContact NH1-OE2 2.67Å; R641-E652 PolarHBondContact NH1-OE2 3.24Å; E652-R691 WeakPolarHBondContact OE1-CD 3.48Å; E652-R691 IonicContact OE1-CZ 3.13Å; E652-R691 IonicContact OE1-NE 2.69Å; E652-R691 PolarHBondContact OE1-NE 2.8Å; E652-R691 IonicContact OE1-NH2 2.83Å; E652-R691 IonicContact OE2-CZ 3.22Å; E652-R691 IonicContact OE2-NE 4Å; E652-R691 IonicContact OE2-NH2 3.39Å; E652-R691 PolarHBondContact OE2-NH2 2.87Å; E652-L693 HydrophobicContact CB-CD2 4.18Å; E652-L693 HydrophobicContact CB-CG 4.1Å; E652-L693 HydrophobicContact CG-CG 4.35Å; E652-Y707 HydrophobicContact CG-CE1 3.84Å; E652-Y707 PolarHBondContact OE1-OH 2.9Å
653	E	98.3	Very high	97.2	Very high	43 Å²	43	42.1 Å²	42.1	20%	0.201	20%	0.2	C	C	.	.			trans	-86.6	154.9	178.6	178	64.5	-81.5	0	0	111.2	K453 I655 W694 C704 Y707	K453-E653 HydrophobicContact CD-CG 4.05Å; K453-E653 IonicContact NZ-OE2 3.76Å; K453-E653 PolarHBondContact NZ-OE2 3.38Å; E653-I655 PolarHBondContact O-N 2.86Å; E653-I655 VanDerWaalsContact O-N 3.17Å; E653-W694 HydrophobicContact CB-CH2 3.96Å; E653-W694 HydrophobicContact CB-CZ3 4.07Å; E653-C704 HydrophobicContact CB-CB 4.35Å; E653-C704 HydrophobicContact CG-CB 4.32Å; E653-C704 WeakPolarHBondContact OE2-CB 3.31Å; E653-Y707 HydrophobicContact CB-CD1 3.61Å; E653-Y707 HydrophobicContact CB-CE1 4.42Å; E653-Y707 HydrophobicContact CB-CG 4Å; E653-Y707 HydrophobicContact CG-CD1 4.12Å; E653-Y707 HydrophobicContact CG-CG 4.32Å; E653-Y707 WeakPolarHBondContact O-CD1 3.49Å; E653-Y707 WeakPolarHBondContact O-CE1 3.45Å
654	E	97.6	Very high	97.2	Very high	150 Å²	150	41.3 Å²	41.3	70%	0.701	20%	0.199	S	C	*	.			trans	-57.6	116.7	-178.8	-168.7	-171.9	153	0	0	112.4	S656	E654-S656 PolarHBondContact O-N 3.12Å; E654-S656 VanDerWaalsContact O-N 3.13Å; E654-S656 PolarHBondContact O-OG 3.41Å
655	I	98.6	Very high	97.2	Very high	13 Å²	13	41 Å²	41	7%	0.067	19%	0.192	C	C	.	.			trans	-74.3	105.6	-179.6	-64.4	176.6	0	0	0	109.6	L632 E653 F657 W688 Y707	L632-I655 HydrophobicContact CD1-CB 4.16Å; L632-I655 WeakPolarHBondContact CD1-O 3.3Å; L632-I655 HydrophobicContact CD2-CB 3.79Å; L632-I655 HydrophobicContact CD2-CD1 3.99Å; L632-I655 HydrophobicContact CD2-CG1 4.43Å; L632-I655 HydrophobicContact CD2-CG2 3.88Å; E653-I655 PolarHBondContact O-N 2.86Å; E653-I655 VanDerWaalsContact O-N 3.17Å; I655-F657 HydrophobicContact CB-CE1 4.24Å; I655-F657 HydrophobicContact CG1-CE1 4.12Å; I655-F657 HydrophobicContact CG1-CZ 4.27Å; I655-F657 HydrophobicContact CG2-CD1 3.98Å; I655-F657 HydrophobicContact CG2-CD2 4.47Å; I655-F657 HydrophobicContact CG2-CE1 3.84Å; I655-F657 HydrophobicContact CG2-CE2 4.34Å; I655-F657 HydrophobicContact CG2-CG 4.31Å; I655-F657 HydrophobicContact CG2-CZ 4.03Å; I655-W688 HydrophobicContact CD1-CG 4.5Å; I655-W688 HydrophobicContact CG2-CD2 4.18Å; I655-W688 HydrophobicContact CG2-CG 4.28Å; I655-W688 HydrophobicContact CG2-CZ2 4.08Å; I655-W688 VanDerWaalsContact CG2-NE1 3.34Å; I655-Y707 HydrophobicContact CD1-CE1 4.49Å; I655-Y707 HydrophobicContact CG1-CD1 4.39Å; I655-Y707 HydrophobicContact CG1-CE1 3.77Å
656	S	97.6	Very high	97.3	Very high	50 Å²	50	38.9 Å²	38.9	35%	0.35	20%	0.2	S	C	.	.			trans	-114.1	14.8	-179.1	43.7	0	0	0	0	112.9	G452 K453 E654	G452-S656 WeakPolarHBondContact CA-O 3.39Å; G452-S656 WeakPolarHBondContact CA-OG 3.48Å; K453-S656 PolarHBondContact N-OG 3.3Å; E654-S656 PolarHBondContact O-N 3.12Å; E654-S656 VanDerWaalsContact O-N 3.13Å; E654-S656 PolarHBondContact O-OG 3.41Å
657	F	98.5	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-118	150.3	-179.7	54.6	-82.9	0	0	0	110.5	L451 I655 T660 W688 Y707 C709 V721	L451-F657 HydrophobicContact CB-CB 4.11Å; I655-F657 HydrophobicContact CB-CE1 4.24Å; I655-F657 HydrophobicContact CG1-CE1 4.12Å; I655-F657 HydrophobicContact CG1-CZ 4.27Å; I655-F657 HydrophobicContact CG2-CD1 3.98Å; I655-F657 HydrophobicContact CG2-CD2 4.47Å; I655-F657 HydrophobicContact CG2-CE1 3.84Å; I655-F657 HydrophobicContact CG2-CE2 4.34Å; I655-F657 HydrophobicContact CG2-CG 4.31Å; I655-F657 HydrophobicContact CG2-CZ 4.03Å; F657-T660 HydrophobicContact CD2-CG2 4.04Å; F657-T660 HydrophobicContact CE2-CG2 3.72Å; F657-W688 AromaticContact CD2-CD1 3.96Å; F657-W688 AromaticContact CD2-NE1 3.87Å; F657-W688 AromaticContact CE2-CD1 3.64Å; F657-W688 AromaticContact CE2-NE1 4Å; F657-W688 WeakPolarHBondContact O-CZ2 3.29Å; F657-W688 PolarHBondContact O-NE1 2.94Å; F657-Y707 AromaticContact CE1-CD1 3.85Å; F657-Y707 HydrophobicContact CE1-CD1 3.85Å; F657-Y707 HydrophobicContact CE1-CD2 4.39Å; F657-Y707 AromaticContact CE1-CE1 3.97Å; F657-Y707 HydrophobicContact CE1-CE1 3.97Å; F657-Y707 HydrophobicContact CE1-CE2 4.44Å; F657-Y707 HydrophobicContact CE1-CG 4.1Å; F657-Y707 HydrophobicContact CZ-CD1 4.44Å; F657-Y707 HydrophobicContact CZ-CE1 4.14Å; F657-Y707 HydrophobicContact CZ-CE2 4.26Å; F657-C709 HydrophobicContact CD2-CB 3.97Å; F657-C709 HydrophobicContact CE2-CB 4.45Å; F657-V721 HydrophobicContact CE2-CG2 4.28Å
658	P	98.4	Very high	97	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.104	22%	0.215	C	C	.	.			trans	-67.5	164.2	179	31.4	-37.1	0	0	0	111.6	L451 F628 T660 W688	L451-P658 HydrophobicContact CD1-CG 3.51Å; F628-P658 HydrophobicContact CE1-CB 3.74Å; F628-P658 HydrophobicContact CZ-CB 3.69Å; F628-P658 HydrophobicContact CZ-CG 4.35Å; P658-T660 PolarHBondContact O-N 3.42Å; P658-W688 VanDerWaalsContact C-NE1 3.28Å; P658-W688 PolarHBondContact O-NE1 2.75Å
659	P	98.6	Very high	96.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.			trans	-50.3	135.5	177.7	-31.3	38.9	0	0	0	113.5	I623 Y663 Y671 P686 W688	I623-P659 HydrophobicContact CD1-CG 3.85Å; I623-P659 HydrophobicContact CG1-CG 4.3Å; P659-Y663 WeakPolarHBondContact O-CE2 3.48Å; P659-Y663 PolarHBondContact O-OH 2.7Å; P659-Y671 HydrophobicContact CB-CE1 4.24Å; P659-Y671 WeakPolarHBondContact O-CE1 3.29Å; P659-Y671 PolarHBondContact O-OH 3.1Å; P659-P686 HydrophobicContact CB-CB 3.88Å; P659-P686 HydrophobicContact CG-CB 4.14Å; P659-W688 HydrophobicContact CB-CD2 4.46Å; P659-W688 HydrophobicContact CG-CD2 4.12Å; P659-W688 HydrophobicContact CG-CE3 4.35Å; P659-W688 HydrophobicContact CG-CH2 4.04Å; P659-W688 HydrophobicContact CG-CZ2 3.8Å; P659-W688 HydrophobicContact CG-CZ3 4.32Å
660	T	98.6	Very high	96.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.			trans	-83	-22.7	-172.8	56.3	0	0	0	0	113	F657 P658 Y663 S687 D690 C709 H718 S719 V721	F657-T660 HydrophobicContact CD2-CG2 4.04Å; F657-T660 HydrophobicContact CE2-CG2 3.72Å; P658-T660 PolarHBondContact O-N 3.42Å; T660-Y663 VanDerWaalsContact O-CD2 3.31Å; T660-Y663 WeakPolarHBondContact O-CD2 3.41Å; T660-Y663 VanDerWaalsContact O-CE2 3.31Å; T660-Y663 WeakPolarHBondContact O-CE2 3.48Å; T660-S687 PolarHBondContact N-O 2.91Å; T660-D690 VanDerWaalsContact CB-OD2 3.31Å; T660-D690 WeakPolarHBondContact CB-OD2 3.41Å; T660-D690 HydrophobicContact CG2-CB 4.35Å; T660-D690 PolarHBondContact OG1-N 3.05Å; T660-D690 PolarHBondContact OG1-OD2 3.48Å; T660-C709 HydrophobicContact CG2-CB 4.11Å; T660-H718 VanDerWaalsContact O-CA 3.32Å; T660-H718 WeakPolarHBondContact O-CA 3.32Å; T660-S719 PolarHBondContact O-N 2.68Å; T660-V721 HydrophobicContact CG2-CG2 3.46Å; T660-V721 VanDerWaalsContact CG2-CG2 3.46Å
661	Y	98.3	Very high	96.5	Very high	17 Å²	17	47.5 Å²	47.5	7%	0.067	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-121	151.3	175.8	176.7	-103.4	0	0	0	108.6	N684 P686 S687 H718	Y661-N684 HydrophobicContact CE1-CB 4.11Å; Y661-N684 PolarHBondContact OH-OD1 2.8Å; Y661-P686 CarbonylContact O-C 3.55Å; Y661-P686 WeakPolarHBondContact O-CA 3.38Å; Y661-S687 PolarHBondContact N-O 2.88Å; Y661-S687 VanDerWaalsContact N-O 3.12Å; Y661-S687 PolarHBondContact O-N 2.67Å; Y661-H718 AromaticContact CD2-CD2 3.64Å; Y661-H718 AromaticContact CD2-CE1 3.47Å; Y661-H718 VanDerWaalsContact CD2-CE1 3.47Å; Y661-H718 WeakPolarHBondContact CD2-CE1 3.36Å; Y661-H718 AromaticContact CD2-ND1 3.95Å; Y661-H718 AromaticContact CD2-NE2 3.22Å; Y661-H718 WeakPolarHBondContact CD2-NE2 3.49Å; Y661-H718 AromaticContact CE2-NE2 3.54Å
662	R	96	Very high	96.2	Very high	45 Å²	45	45.5 Å²	45.5	17%	0.17	24%	0.241	C	C	.	.			cis	-112.2	114.9	-10.4	-169.9	176.1	-173.9	-116	-9.8	109.7	Y671 A672 D717	R662-Y671 CarbonylContact O-C 3.58Å; R662-Y671 WeakPolarHBondContact O-CA 3.27Å; R662-Y671 WeakPolarHBondContact O-CD1 3.27Å; R662-A672 WeakPolarHBondContact CD-O 3.08Å; R662-A672 HydrophobicContact CG-CB 4.38Å; R662-A672 PolarHBondContact NH1-O 2.86Å; R662-A672 PolarHBondContact O-N 2.72Å; R662-D717 WeakPolarHBondContact CA-O 3.35Å; R662-D717 HydrophobicContact CG-CB 3.96Å; R662-D717 IonicContact CZ-OD2 3.61Å; R662-D717 IonicContact NE-OD2 3.63Å; R662-D717 PolarHBondContact NE-OD2 3.4Å; R662-D717 IonicContact NH2-OD2 2.7Å; R662-D717 PolarHBondContact NH2-OD2 2.81Å
663	Y	96.6	Very high	95.5	Very high	8 Å²	8	47.9 Å²	47.9	3%	0.031	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-86.8	159.6	178.1	-70.4	-81.4	0	0	0	112.7	P659 T660 R668 Y671 D717 S719	P659-Y663 WeakPolarHBondContact O-CE2 3.48Å; P659-Y663 PolarHBondContact O-OH 2.7Å; T660-Y663 VanDerWaalsContact O-CD2 3.31Å; T660-Y663 WeakPolarHBondContact O-CD2 3.41Å; T660-Y663 VanDerWaalsContact O-CE2 3.31Å; T660-Y663 WeakPolarHBondContact O-CE2 3.48Å; Y663-R668 VanDerWaalsContact CB-NH2 3.33Å; Y663-R668 HydrophobicContact CD1-CB 4.15Å; Y663-R668 HydrophobicContact CE1-CB 3.98Å; Y663-R668 VanDerWaalsContact CE1-O 3.3Å; Y663-R668 WeakPolarHBondContact CE1-O 3.38Å; Y663-Y671 HydrophobicContact CD1-CD1 4.35Å; Y663-Y671 HydrophobicContact CD1-CE1 4.21Å; Y663-Y671 HydrophobicContact CD2-CE1 4.43Å; Y663-Y671 HydrophobicContact CE1-CD1 4.39Å; Y663-Y671 AromaticContact CE1-CE1 3.84Å; Y663-Y671 HydrophobicContact CE1-CE1 3.84Å; Y663-Y671 AromaticContact CE1-CE2 3.99Å; Y663-Y671 HydrophobicContact CE1-CE2 3.99Å; Y663-Y671 AromaticContact CE1-CZ 3.65Å; Y663-Y671 HydrophobicContact CE2-CE1 4.06Å; Y663-Y671 AromaticContact CZ-CE1 3.76Å; Y663-Y671 AromaticContact CZ-CZ 3.63Å; Y663-Y671 PolarHBondContact OH-OH 2.79Å; Y663-D717 PolarHBondContact N-O 2.8Å; Y663-D717 WeakPolarHBondContact O-CA 3.18Å; Y663-D717 WeakPolarHBondContact O-CB 3.4Å; Y663-S719 WeakPolarHBondContact CE2-OG 3.3Å
664	E	95	Very high	94.8	Very high	96 Å²	96	50 Å²	50	45%	0.449	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-68.2	149.6	157.3	-67.9	-175.8	162.1	0	0	110.3	R668 T670 A672	E664-R668 PolarHBondContact O-NH2 2.87Å; E664-T670 VanDerWaalsContact CD-CG2 3.46Å; E664-T670 HydrophobicContact CG-CG2 4.09Å; E664-T670 PolarHBondContact N-O 2.79Å; E664-T670 WeakPolarHBondContact OE2-CB 3.39Å; E664-T670 WeakPolarHBondContact OE2-CG2 3.28Å; E664-A672 HydrophobicContact CG-CB 3.8Å
665	R	94.9	Very high	93.5	Very high	114 Å²	114	47.2 Å²	47.2	43%	0.43	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	134.1	178.8	-66.6	-178.3	-179.6	-162.9	5.7	109.6	G434 V436 T715 D717	G434-R665 PolarHBondContact O-NH1 2.76Å; G434-R665 VanDerWaalsContact O-NH1 3.12Å; G434-R665 PolarHBondContact O-NH2 3.17Å; V436-R665 VanDerWaalsContact CG1-NH1 3.28Å; R665-T715 VanDerWaalsContact CD-O 3.29Å; R665-T715 WeakPolarHBondContact CD-O 3.39Å; R665-T715 WeakPolarHBondContact CG-O 3.35Å; R665-D717 HydrophobicContact CG-CB 4.27Å; R665-D717 IonicContact CZ-OD1 3.78Å; R665-D717 VanDerWaalsContact CZ-OD1 3.26Å; R665-D717 IonicContact NE-OD1 2.81Å; R665-D717 PolarHBondContact NE-OD1 3.06Å; R665-D717 IonicContact NH2-OD1 2.83Å; R665-D717 PolarHBondContact NH2-OD1 3.09Å
666	G	94.5	Very high	92	Very high	58 Å²	58	54.1 Å²	54.1	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.3	-10.8	-176	0	0	0	0	0	115.8	V714	G666-V714 PolarHBondContact N-O 3.34Å
667	S	93.1	Very high	90.4	Very high	31 Å²	31	55.7 Å²	55.7	22%	0.217	28%	0.277	C	S	.	.			trans	-147.8	163.2	176.3	159.2	0	0	0	0	110.5	D669	S667-D669 WeakPolarHBondContact OG-CB 3.49Å; S667-D669 VanDerWaalsContact OG-CG 3.25Å; S667-D669 PolarHBondContact OG-N 3.22Å; S667-D669 PolarHBondContact OG-OD2 2.81Å
668	R	95.6	Very high	88	Confident	32 Å²	32	62.6 Å²	62.6	12%	0.121	32%	0.321	C	S	.	.	S	Bend	trans	-112.8	6.7	166.6	-59.2	-66.2	82	151.1	5.1	113	Y663 E664 D711 I713 V714 S716 H718 S719	Y663-R668 VanDerWaalsContact CB-NH2 3.33Å; Y663-R668 HydrophobicContact CD1-CB 4.15Å; Y663-R668 HydrophobicContact CE1-CB 3.98Å; Y663-R668 VanDerWaalsContact CE1-O 3.3Å; Y663-R668 WeakPolarHBondContact CE1-O 3.38Å; E664-R668 PolarHBondContact O-NH2 2.87Å; R668-D711 VanDerWaalsContact CG-O 3.26Å; R668-D711 WeakPolarHBondContact CG-O 3.48Å; R668-I713 PolarHBondContact NH1-O 3.13Å; R668-V714 HydrophobicContact CG-CG1 3.94Å; R668-S716 PolarHBondContact NH1-O 3.49Å; R668-S716 PolarHBondContact NH2-O 2.94Å; R668-H718 PolarHBondContact NH1-O 3.27Å; R668-S719 WeakPolarHBondContact CD-OG 3.38Å; R668-S719 PolarHBondContact NH1-OG 2.95Å
669	D	92.1	Very high	85.8	Confident	150 Å²	150	65.3 Å²	65.3	80%	0.802	34%	0.338	S	S	*	.	S	Bend	trans	-75.3	-27.2	-176.9	-51.9	-63.7	0	0	0	112.3	S667	S667-D669 WeakPolarHBondContact OG-CB 3.49Å; S667-D669 VanDerWaalsContact OG-CG 3.25Å; S667-D669 PolarHBondContact OG-N 3.22Å; S667-D669 PolarHBondContact OG-OD2 2.81Å
670	T	92.4	Very high	84.1	Confident	62 Å²	62	67 Å²	67	38%	0.38	36%	0.356	S	S	.	.			trans	-126.1	137.2	-172.2	-50.3	0	0	0	0	112.4	E664	E664-T670 VanDerWaalsContact CD-CG2 3.46Å; E664-T670 HydrophobicContact CG-CG2 4.09Å; E664-T670 PolarHBondContact N-O 2.79Å; E664-T670 WeakPolarHBondContact OE2-CB 3.39Å; E664-T670 WeakPolarHBondContact OE2-CG2 3.28Å
671	Y	95.3	Very high	82.3	Confident	21 Å²	21	71.2 Å²	71.2	8%	0.082	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-95.1	125.9	171.1	-76	-87.8	0	0	0	112	L620 I623 P659 R662 Y663 W673 P686	L620-Y671 HydrophobicContact CD2-CD2 4.31Å; I623-Y671 HydrophobicContact CD1-CE2 4.06Å; I623-Y671 HydrophobicContact CG2-CE2 3.94Å; P659-Y671 HydrophobicContact CB-CE1 4.24Å; P659-Y671 WeakPolarHBondContact O-CE1 3.29Å; P659-Y671 PolarHBondContact O-OH 3.1Å; R662-Y671 CarbonylContact O-C 3.58Å; R662-Y671 WeakPolarHBondContact O-CA 3.27Å; R662-Y671 WeakPolarHBondContact O-CD1 3.27Å; Y663-Y671 HydrophobicContact CD1-CD1 4.35Å; Y663-Y671 HydrophobicContact CD1-CE1 4.21Å; Y663-Y671 HydrophobicContact CD2-CE1 4.43Å; Y663-Y671 HydrophobicContact CE1-CD1 4.39Å; Y663-Y671 AromaticContact CE1-CE1 3.84Å; Y663-Y671 HydrophobicContact CE1-CE1 3.84Å; Y663-Y671 AromaticContact CE1-CE2 3.99Å; Y663-Y671 HydrophobicContact CE1-CE2 3.99Å; Y663-Y671 AromaticContact CE1-CZ 3.65Å; Y663-Y671 HydrophobicContact CE2-CE1 4.06Å; Y663-Y671 AromaticContact CZ-CE1 3.76Å; Y663-Y671 AromaticContact CZ-CZ 3.63Å; Y663-Y671 PolarHBondContact OH-OH 2.79Å; Y671-W673 VanDerWaalsContact C-N 3.35Å; Y671-W673 VanDerWaalsContact O-CD1 3.27Å; Y671-W673 PolarHBondContact O-N 3.06Å; Y671-W673 VanDerWaalsContact O-N 3.1Å; Y671-P686 HydrophobicContact CD1-CB 3.76Å; Y671-P686 HydrophobicContact CD1-CG 3.71Å; Y671-P686 HydrophobicContact CD2-CG 4.34Å; Y671-P686 HydrophobicContact CE1-CB 3.8Å; Y671-P686 HydrophobicContact CE1-CG 4.22Å; Y671-P686 HydrophobicContact CG-CB 4.27Å; Y671-P686 HydrophobicContact CG-CG 3.77Å
672	A	91.4	Very high	81	Confident	19 Å²	19	73.6 Å²	73.6	16%	0.157	39%	0.39	C	S	.	.			trans	-85.8	62.1	-177.8	0	0	0	0	0	112.8	R662 E664	R662-A672 WeakPolarHBondContact CD-O 3.08Å; R662-A672 HydrophobicContact CG-CB 4.38Å; R662-A672 PolarHBondContact NH1-O 2.86Å; R662-A672 PolarHBondContact O-N 2.72Å; E664-A672 HydrophobicContact CG-CB 3.8Å
673	W	84.7	Confident	80.2	Confident	81 Å²	81	74.5 Å²	74.5	31%	0.307	40%	0.4	S	S	.	.			trans	-73.9	-26.1	-171.2	57.1	-93.2	0	0	0	115.2	I616 Y671 K675 T683 N684	I616-W673 HydrophobicContact CD1-CB 3.63Å; I616-W673 HydrophobicContact CD1-CD2 4.18Å; I616-W673 HydrophobicContact CD1-CG 3.64Å; I616-W673 HydrophobicContact CG1-CB 4.19Å; I616-W673 HydrophobicContact CG1-CD2 3.75Å; I616-W673 HydrophobicContact CG1-CE3 4.1Å; I616-W673 HydrophobicContact CG1-CG 3.79Å; Y671-W673 VanDerWaalsContact C-N 3.35Å; Y671-W673 VanDerWaalsContact O-CD1 3.27Å; Y671-W673 PolarHBondContact O-N 3.06Å; Y671-W673 VanDerWaalsContact O-N 3.1Å; W673-K675 PolarHBondContact O-N 2.77Å; W673-T683 HydrophobicContact CE3-CG2 4.33Å; W673-T683 CarbonylContact O-C 3.57Å; W673-T683 WeakPolarHBondContact O-CA 3.48Å; W673-N684 VanDerWaalsContact CA-O 3.3Å; W673-N684 WeakPolarHBondContact CA-O 3.42Å; W673-N684 PolarHBondContact O-N 3.01Å
674	H	82.3	Confident	79.6	Confident	86 Å²	86	74.5 Å²	74.5	40%	0.398	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	98.4	-177.2	-175.6	-71	0	0	0	111.4	V681	H674-V681 VanDerWaalsContact NE2-CG1 3.31Å; H674-V681 WeakPolarHBondContact NE2-CG1 3.47Å
675	K	71.4	Confident	79.6	Confident	93 Å²	93	70.3 Å²	70.3	40%	0.404	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	110.5	176.7	-171.1	172.4	-178.8	175.3	0	111.2	W673 R682	W673-K675 PolarHBondContact O-N 2.77Å; K675-R682 WeakPolarHBondContact CB-O 3.11Å; K675-R682 PolarHBondContact N-O 3.48Å; K675-R682 VanDerWaalsContact N-O 3.15Å; K675-R682 PolarHBondContact O-N 3.36Å
676	Q	65.9	Low	79.7	Confident	157 Å²	157	64.9 Å²	64.9	73%	0.734	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	137	166.7	-67.5	174.5	-9.2	0	0	110
677	K	64.2	Low	79.9	Confident	84 Å²	84	62.1 Å²	62.1	37%	0.365	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	163	170.4	-90.2	-171.4	159.9	-153.9	0	108.4	T679 G680	K677-T679 PolarHBondContact O-N 3.03Å; K677-G680 WeakPolarHBondContact CA-O 3.43Å; K677-G680 WeakPolarHBondContact CB-O 3.35Å; K677-G680 PolarHBondContact N-O 2.82Å; K677-G680 PolarHBondContact O-N 2.92Å; K677-G680 VanDerWaalsContact O-N 3.11Å; K677-G680 VanDerWaalsContact O-O 3.1Å
678	P	49.6	Very low	80.2	Confident	144 Å²	144	60.7 Å²	60.7	94%	0.935	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-37.6	166.5	-25	35.5	0	0	0	113.1	G680	P678-G680 VanDerWaalsContact C-N 3.27Å; P678-G680 PolarHBondContact O-N 3.27Å
679	T	51.7	Low	80.3	Confident	73 Å²	73	59.1 Å²	59.1	45%	0.448	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	3.6	177.7	61.6	0	0	0	0	114.7	K677	K677-T679 PolarHBondContact O-N 3.03Å
680	G	62	Low	80.6	Confident	36 Å²	36	52 Å²	52	37%	0.371	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	126.8	-155.4	175.6	0	0	0	0	0	114.8	K677 P678	K677-G680 WeakPolarHBondContact CA-O 3.43Å; K677-G680 WeakPolarHBondContact CB-O 3.35Å; K677-G680 PolarHBondContact N-O 2.82Å; K677-G680 PolarHBondContact O-N 2.92Å; K677-G680 VanDerWaalsContact O-N 3.11Å; K677-G680 VanDerWaalsContact O-O 3.1Å; P678-G680 VanDerWaalsContact C-N 3.27Å; P678-G680 PolarHBondContact O-N 3.27Å
681	V	62.5	Low	80.9	Confident	88 Å²	88	49 Å²	49	53%	0.533	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.5	-179.3	174.3	0	0	0	0	110.1	H674	H674-V681 VanDerWaalsContact NE2-CG1 3.31Å; H674-V681 WeakPolarHBondContact NE2-CG1 3.47Å
682	R	70.6	Confident	81.1	Confident	67 Å²	67	48.1 Å²	48.1	25%	0.253	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.2	172.6	-172.1	166.6	171.9	146.1	-3.1	111.5	E567 K675 N684	E567-R682 IonicContact OE1-CZ 2.73Å; E567-R682 IonicContact OE1-NH1 2.58Å; E567-R682 PolarHBondContact OE1-NH1 2.94Å; E567-R682 IonicContact OE1-NH2 3.27Å; E567-R682 PolarHBondContact OE1-NH2 3.25Å; E567-R682 IonicContact OE2-CZ 3.63Å; E567-R682 IonicContact OE2-NH1 2.77Å; E567-R682 IonicContact OE2-NH2 2.72Å; E567-R682 PolarHBondContact OE2-NH2 3.03Å; K675-R682 WeakPolarHBondContact CB-O 3.11Å; K675-R682 PolarHBondContact N-O 3.48Å; K675-R682 VanDerWaalsContact N-O 3.15Å; K675-R682 PolarHBondContact O-N 3.36Å; R682-N684 PolarHBondContact O-N 2.95Å; R682-N684 PolarHBondContact O-ND2 3.09Å
683	T	79.1	Confident	81.5	Confident	64 Å²	64	47.2 Å²	47.2	39%	0.393	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	127.3	169.8	-56.7	0	0	0	0	110	W673 V685	W673-T683 HydrophobicContact CE3-CG2 4.33Å; W673-T683 CarbonylContact O-C 3.57Å; W673-T683 WeakPolarHBondContact O-CA 3.48Å; T683-V685 HydrophobicContact CG2-CG1 3.78Å
684	N	84.3	Confident	82.1	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.048	24%	0.24	C	C	.	.			trans	-122.1	87.3	170.7	-76.2	-93	0	0	0	106.8	R611 Y661 W673 R682	R611-N684 PolarHBondContact NH1-OD1 3.17Å; Y661-N684 HydrophobicContact CE1-CB 4.11Å; Y661-N684 PolarHBondContact OH-OD1 2.8Å; W673-N684 VanDerWaalsContact CA-O 3.3Å; W673-N684 WeakPolarHBondContact CA-O 3.42Å; W673-N684 PolarHBondContact O-N 3.01Å; R682-N684 PolarHBondContact O-N 2.95Å; R682-N684 PolarHBondContact O-ND2 3.09Å
685	V	93.6	Very high	82.9	Confident	8 Å²	8	41.6 Å²	41.6	5%	0.048	23%	0.225	C	C	.	.			trans	-58.7	153.8	-179.3	-56.8	0	0	0	0	111.4	L612 I616 I619 T683 S687	L612-V685 HydrophobicContact CB-CG2 4.27Å; I616-V685 HydrophobicContact CB-CG1 4.22Å; I616-V685 HydrophobicContact CD1-CB 4.41Å; I616-V685 HydrophobicContact CD1-CG1 4.35Å; I619-V685 HydrophobicContact CD1-CB 3.64Å; I619-V685 HydrophobicContact CD1-CG1 4.08Å; I619-V685 HydrophobicContact CD1-CG2 3.8Å; T683-V685 HydrophobicContact CG2-CG1 3.78Å; V685-S687 PolarHBondContact O-N 2.77Å; V685-S687 PolarHBondContact O-OG 2.76Å
686	P	97.8	Very high	84.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.			trans	-50.8	137.4	169.9	-26.5	34	0	0	0	111.4	L612 I616 I619 L620 I623 P659 Y661 Y671	L612-P686 WeakPolarHBondContact CD1-O 3.29Å; L612-P686 WeakPolarHBondContact CG-O 3.47Å; I616-P686 VanDerWaalsContact CD1-CD 3.4Å; I616-P686 HydrophobicContact CD1-CG 4.28Å; I619-P686 HydrophobicContact CG2-CB 3.77Å; I619-P686 HydrophobicContact CG2-CG 3.77Å; L620-P686 HydrophobicContact CD2-CG 4.24Å; I623-P686 HydrophobicContact CD1-CB 3.67Å; I623-P686 HydrophobicContact CD1-CG 3.97Å; P659-P686 HydrophobicContact CB-CB 3.88Å; P659-P686 HydrophobicContact CG-CB 4.14Å; Y661-P686 CarbonylContact O-C 3.55Å; Y661-P686 WeakPolarHBondContact O-CA 3.38Å; Y671-P686 HydrophobicContact CD1-CB 3.76Å; Y671-P686 HydrophobicContact CD1-CG 3.71Å; Y671-P686 HydrophobicContact CD2-CG 4.34Å; Y671-P686 HydrophobicContact CE1-CB 3.8Å; Y671-P686 HydrophobicContact CE1-CG 4.22Å; Y671-P686 HydrophobicContact CG-CB 4.27Å; Y671-P686 HydrophobicContact CG-CG 3.77Å
687	S	98.4	Very high	85.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-155.2	151.9	-175.9	-67.5	0	0	0	0	113	R611 L612 T660 Y661 V685 C689	R611-S687 VanDerWaalsContact CA-OG 3.29Å; R611-S687 WeakPolarHBondContact CA-OG 3.23Å; R611-S687 WeakPolarHBondContact CD-OG 3.27Å; L612-S687 PolarHBondContact N-OG 2.87Å; L612-S687 VanDerWaalsContact N-OG 3.07Å; T660-S687 PolarHBondContact N-O 2.91Å; Y661-S687 PolarHBondContact N-O 2.88Å; Y661-S687 VanDerWaalsContact N-O 3.12Å; Y661-S687 PolarHBondContact O-N 2.67Å; V685-S687 PolarHBondContact O-N 2.77Å; V685-S687 PolarHBondContact O-OG 2.76Å; S687-C689 VanDerWaalsContact C-N 3.28Å; S687-C689 PolarHBondContact O-N 2.82Å; S687-C689 VanDerWaalsContact O-N 3.16Å
688	W	98.8	Very high	87.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.185	C	C	.	.			trans	-86	70.8	170.8	-69.4	-79.3	0	0	0	110.1	L612 F628 L631 L632 I655 F657 P658 P659 R691	L612-W688 HydrophobicContact CD1-CZ3 4.26Å; L612-W688 HydrophobicContact CD2-CE3 3.82Å; L612-W688 HydrophobicContact CD2-CZ3 3.82Å; F628-W688 HydrophobicContact CB-CH2 3.96Å; F628-W688 HydrophobicContact CB-CZ2 4.04Å; F628-W688 HydrophobicContact CD1-CH2 4.5Å; F628-W688 HydrophobicContact CD1-CZ2 4.25Å; F628-W688 HydrophobicContact CG-CH2 4.45Å; F628-W688 HydrophobicContact CG-CZ2 4.15Å; L631-W688 HydrophobicContact CB-CH2 3.75Å; L631-W688 HydrophobicContact CB-CZ3 3.66Å; L631-W688 HydrophobicContact CD1-CH2 4.17Å; L632-W688 HydrophobicContact CD2-CD2 4.15Å; L632-W688 HydrophobicContact CD2-CE3 3.73Å; L632-W688 HydrophobicContact CD2-CH2 3.86Å; L632-W688 HydrophobicContact CD2-CZ2 4.24Å; L632-W688 HydrophobicContact CD2-CZ3 3.57Å; L632-W688 HydrophobicContact CG-CH2 3.93Å; L632-W688 HydrophobicContact CG-CZ3 3.92Å; I655-W688 HydrophobicContact CD1-CG 4.5Å; I655-W688 HydrophobicContact CG2-CD2 4.18Å; I655-W688 HydrophobicContact CG2-CG 4.28Å; I655-W688 HydrophobicContact CG2-CZ2 4.08Å; I655-W688 VanDerWaalsContact CG2-NE1 3.34Å; F657-W688 AromaticContact CD2-CD1 3.96Å; F657-W688 AromaticContact CD2-NE1 3.87Å; F657-W688 AromaticContact CE2-CD1 3.64Å; F657-W688 AromaticContact CE2-NE1 4Å; F657-W688 WeakPolarHBondContact O-CZ2 3.29Å; F657-W688 PolarHBondContact O-NE1 2.94Å; P658-W688 VanDerWaalsContact C-NE1 3.28Å; P658-W688 PolarHBondContact O-NE1 2.75Å; P659-W688 HydrophobicContact CB-CD2 4.46Å; P659-W688 HydrophobicContact CG-CD2 4.12Å; P659-W688 HydrophobicContact CG-CE3 4.35Å; P659-W688 HydrophobicContact CG-CH2 4.04Å; P659-W688 HydrophobicContact CG-CZ2 3.8Å; P659-W688 HydrophobicContact CG-CZ3 4.32Å; W688-R691 VanDerWaalsContact O-CD 3.3Å; W688-R691 WeakPolarHBondContact O-CD 3.25Å; W688-R691 PolarHBondContact O-NH1 3.46Å
689	C	98.7	Very high	89.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.			trans	-71.2	-37.6	177.8	-64.7	0	0	0	0	111.9	D607 L608 N609 S687	D607-C689 WeakPolarHBondContact OD1-CB 3.25Å; L608-C689 PolarHBondContact N-O 3.12Å; N609-C689 PolarHBondContact N-O 3.16Å; S687-C689 VanDerWaalsContact C-N 3.28Å; S687-C689 PolarHBondContact O-N 2.82Å; S687-C689 VanDerWaalsContact O-N 3.16Å
690	D	98.9	Very high	91.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117	-175	-50.1	-101.9	0	0	0	109.9	T430 G606 T660 H718 V721	T430-D690 HydrophobicContact CG2-CB 4.29Å; G606-D690 WeakPolarHBondContact O-CA 3.19Å; T660-D690 VanDerWaalsContact CB-OD2 3.31Å; T660-D690 WeakPolarHBondContact CB-OD2 3.41Å; T660-D690 HydrophobicContact CG2-CB 4.35Å; T660-D690 PolarHBondContact OG1-N 3.05Å; T660-D690 PolarHBondContact OG1-OD2 3.48Å; D690-H718 IonicContact OD1-CG 3.91Å; D690-H718 IonicContact OD1-ND1 2.77Å; D690-H718 PolarHBondContact OD1-ND1 3.25Å; D690-H718 IonicContact OD2-CE1 3.85Å; D690-H718 IonicContact OD2-CG 3.6Å; D690-H718 IonicContact OD2-ND1 3.23Å; D690-H718 PolarHBondContact OD2-ND1 2.98Å; D690-V721 HydrophobicContact CB-CB 4.36Å; D690-V721 HydrophobicContact CB-CG2 3.67Å
691	R	98.9	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.6	-168	-54	-68.9	-90.9	-93.3	1.6	113.6	F605 G606 L608 D635 L637 N638 E652 W688 L693 Y707	F605-R691 WeakPolarHBondContact CA-O 3.49Å; F605-R691 VanDerWaalsContact CB-O 3.3Å; F605-R691 WeakPolarHBondContact CB-O 3.15Å; G606-R691 PolarHBondContact N-O 2.99Å; G606-R691 VanDerWaalsContact N-O 3.13Å; G606-R691 PolarHBondContact O-N 2.83Å; L608-R691 HydrophobicContact CD1-CB 3.69Å; L608-R691 HydrophobicContact CD1-CG 4.1Å; L608-R691 HydrophobicContact CG-CB 4.01Å; L608-R691 HydrophobicContact CG-CG 4.3Å; D635-R691 VanDerWaalsContact CG-NH1 3.25Å; D635-R691 IonicContact OD1-CZ 3.11Å; D635-R691 IonicContact OD1-NH1 3.01Å; D635-R691 PolarHBondContact OD1-NH1 3.29Å; D635-R691 IonicContact OD2-CZ 3.24Å; D635-R691 IonicContact OD2-NH1 2.77Å; D635-R691 PolarHBondContact OD2-NH1 2.87Å; D635-R691 IonicContact OD2-NH2 3.19Å; D635-R691 PolarHBondContact OD2-NH2 3.06Å; L637-R691 HydrophobicContact CD2-CB 4.5Å; L637-R691 HydrophobicContact CD2-CG 4.07Å; N638-R691 PolarHBondContact OD1-NH2 3.44Å; E652-R691 WeakPolarHBondContact OE1-CD 3.48Å; E652-R691 IonicContact OE1-CZ 3.13Å; E652-R691 IonicContact OE1-NE 2.69Å; E652-R691 PolarHBondContact OE1-NE 2.8Å; E652-R691 IonicContact OE1-NH2 2.83Å; E652-R691 IonicContact OE2-CZ 3.22Å; E652-R691 IonicContact OE2-NE 4Å; E652-R691 IonicContact OE2-NH2 3.39Å; E652-R691 PolarHBondContact OE2-NH2 2.87Å; W688-R691 VanDerWaalsContact O-CD 3.3Å; W688-R691 WeakPolarHBondContact O-CD 3.25Å; W688-R691 PolarHBondContact O-NH1 3.46Å; R691-L693 HydrophobicContact CB-CD1 4.03Å; R691-Y707 WeakPolarHBondContact CA-OH 3.32Å
692	I	98.9	Very high	94.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	114.2	174.2	-54.6	173.5	0	0	0	109.8	I428 T430 F605 Y707 V721 G723 F725	I428-I692 HydrophobicContact CB-CD1 4.33Å; I428-I692 HydrophobicContact CB-CG2 4.44Å; I428-I692 HydrophobicContact CG2-CD1 4.11Å; I428-I692 HydrophobicContact CG2-CG1 4.43Å; I428-I692 HydrophobicContact CG2-CG2 4.15Å; I428-I692 WeakPolarHBondContact O-CD1 3.4Å; T430-I692 HydrophobicContact CG2-CG1 4.06Å; F605-I692 HydrophobicContact CB-CB 4.24Å; F605-I692 HydrophobicContact CB-CG1 3.87Å; F605-I692 HydrophobicContact CB-CG2 4.28Å; I692-Y707 HydrophobicContact CB-CD2 4.49Å; I692-Y707 HydrophobicContact CB-CE2 3.79Å; I692-Y707 HydrophobicContact CD1-CE2 4.23Å; I692-Y707 HydrophobicContact CG1-CE2 4.06Å; I692-Y707 PolarHBondContact N-OH 2.84Å; I692-V721 HydrophobicContact CD1-CG1 3.97Å; I692-V721 HydrophobicContact CG1-CG1 4.2Å; I692-G723 VanDerWaalsContact CD1-N 3.29Å; I692-F725 HydrophobicContact CG2-CE2 4.18Å; I692-F725 HydrophobicContact CG2-CZ 4.13Å
693	L	98.9	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	158.7	177.1	-60.5	94.1	0	0	0	110.5	W604 L608 L637 F647 F650 S651 E652 R691	W604-L693 PolarHBondContact N-O 2.75Å; W604-L693 PolarHBondContact O-N 2.76Å; L608-L693 HydrophobicContact CD1-CD1 3.62Å; L637-L693 HydrophobicContact CD2-CD1 4.18Å; L637-L693 HydrophobicContact CD2-CD2 4.48Å; F647-L693 HydrophobicContact CB-CD2 4.21Å; F647-L693 HydrophobicContact CD1-CD2 4.19Å; F647-L693 HydrophobicContact CG-CD2 4.13Å; F650-L693 HydrophobicContact CB-CB 4.42Å; F650-L693 HydrophobicContact CB-CD2 4.42Å; F650-L693 HydrophobicContact CD1-CB 4.26Å; S651-L693 WeakPolarHBondContact O-CA 3.32Å; S651-L693 WeakPolarHBondContact O-CB 3.31Å; E652-L693 HydrophobicContact CB-CD2 4.18Å; E652-L693 HydrophobicContact CB-CG 4.1Å; E652-L693 HydrophobicContact CG-CG 4.35Å; R691-L693 HydrophobicContact CB-CD1 4.03Å
694	W	98.8	Very high	96.1	Very high	29 Å²	29	21.4 Å²	21.4	11%	0.11	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	152.7	174.5	69.8	98	0	0	0	112.9	L602 F603 F650 S651 E653 I702 C704 F725	L602-W694 CarbonylContact O-C 3.57Å; L602-W694 VanDerWaalsContact O-CA 3.25Å; L602-W694 WeakPolarHBondContact O-CA 3.12Å; F603-W694 HydrophobicContact CD1-CB 3.59Å; F603-W694 HydrophobicContact CE1-CB 3.82Å; F603-W694 HydrophobicContact CE1-CG 4.38Å; F603-W694 HydrophobicContact CG-CB 4.39Å; F650-W694 CarbonylContact C-O 3.57Å; F650-W694 WeakPolarHBondContact CA-O 3.46Å; S651-W694 VanDerWaalsContact CB-CE2 3.42Å; S651-W694 PolarHBondContact N-O 3.06Å; S651-W694 PolarHBondContact O-N 2.54Å; E653-W694 HydrophobicContact CB-CH2 3.96Å; E653-W694 HydrophobicContact CB-CZ3 4.07Å; W694-I702 HydrophobicContact CG-CD1 4.2Å; W694-C704 HydrophobicContact CH2-CB 4.04Å; W694-C704 HydrophobicContact CZ2-CB 4.47Å; W694-F725 AromaticContact CD2-CE1 3.78Å; W694-F725 HydrophobicContact CD2-CE1 3.78Å; W694-F725 HydrophobicContact CD2-CZ 4.38Å; W694-F725 AromaticContact CE3-CE1 3.53Å; W694-F725 HydrophobicContact CE3-CE1 3.53Å; W694-F725 AromaticContact CE3-CZ 3.81Å; W694-F725 HydrophobicContact CE3-CZ 3.81Å; W694-F725 HydrophobicContact CG-CE1 4.41Å; W694-F725 HydrophobicContact CH2-CE1 4.25Å; W694-F725 HydrophobicContact CZ2-CE1 4.45Å; W694-F725 AromaticContact CZ3-CE1 3.78Å; W694-F725 HydrophobicContact CZ3-CE1 3.78Å; W694-F725 HydrophobicContact CZ3-CZ 4.15Å
695	K	98.5	Very high	96.5	Very high	20 Å²	20	22.3 Å²	22.3	9%	0.087	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.5	168.3	-170.7	-179.7	177.7	-160.3	0	107.5	S596 L602 F650	S596-K695 VanDerWaalsContact CB-NZ 3.3Å; S596-K695 WeakPolarHBondContact O-CD 3.45Å; S596-K695 VanDerWaalsContact O-CE 3.27Å; S596-K695 WeakPolarHBondContact O-CE 3.4Å; S596-K695 PolarHBondContact O-NZ 2.87Å; S596-K695 PolarHBondContact OG-NZ 3.3Å; L602-K695 PolarHBondContact N-O 3.34Å; L602-K695 PolarHBondContact O-N 2.67Å; F650-K695 HydrophobicContact CD1-CB 3.79Å; F650-K695 HydrophobicContact CD2-CB 4.16Å; F650-K695 HydrophobicContact CD2-CD 4.08Å; F650-K695 HydrophobicContact CE1-CB 3.84Å; F650-K695 HydrophobicContact CE2-CB 4.23Å; F650-K695 HydrophobicContact CE2-CD 3.85Å; F650-K695 HydrophobicContact CG-CB 3.95Å; F650-K695 HydrophobicContact CZ-CB 4.08Å; F650-K695 HydrophobicContact CZ-CD 4.25Å
696	S	98.3	Very high	96.6	Very high	33 Å²	33	21.9 Å²	21.9	23%	0.231	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.7	-179.1	-57.8	0	0	0	0	110.8	T600 H601	T600-S696 CarbonylContact O-C 3.46Å; T600-S696 WeakPolarHBondContact O-CA 3.32Å; T600-S696 WeakPolarHBondContact O-CB 3.32Å; H601-S696 WeakPolarHBondContact ND1-CB 3.48Å; H601-S696 PolarHBondContact ND1-OG 3.41Å
697	Y	97.9	Very high	96.6	Very high	22 Å²	22	22.1 Å²	22.1	9%	0.086	12%	0.115	C	C	.	.			trans	-64.1	150.6	177	-72.5	-4.3	0	0	0	111.7	L597 F599 T600 T700 H820 V838	L597-Y697 PolarHBondContact O-OH 3.16Å; F599-Y697 WeakPolarHBondContact O-CD1 3.38Å; F599-Y697 WeakPolarHBondContact O-CE1 3.25Å; T600-Y697 HydrophobicContact CG2-CD2 4.05Å; T600-Y697 HydrophobicContact CG2-CG 4.45Å; T600-Y697 PolarHBondContact O-N 2.81Å; Y697-T700 WeakPolarHBondContact O-CB 3.1Å; Y697-T700 WeakPolarHBondContact O-CG2 3.38Å; Y697-T700 PolarHBondContact O-N 3.47Å; Y697-T700 PolarHBondContact O-OG1 2.8Å; Y697-H820 HydrophobicContact CD2-CB 3.83Å; Y697-H820 AromaticContact CD2-CG 3.5Å; Y697-H820 AromaticContact CD2-ND1 3.53Å; Y697-H820 HydrophobicContact CE2-CB 4.15Å; Y697-V838 HydrophobicContact CD1-CG1 4.23Å; Y697-V838 HydrophobicContact CD1-CG2 4.01Å; Y697-V838 HydrophobicContact CD2-CG2 4.28Å; Y697-V838 HydrophobicContact CE1-CG2 4.25Å; Y697-V838 HydrophobicContact CG-CG2 4.04Å
698	P	95.9	Very high	96.6	Very high	52 Å²	52	22.1 Å²	22.1	34%	0.338	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	151	178.9	23.1	-33	0	0	0	112.4	T700 H820 V838 A840	P698-T700 PolarHBondContact O-N 2.67Å; P698-T700 VanDerWaalsContact O-N 3.09Å; P698-H820 PolarHBondContact O-NE2 3.11Å; P698-V838 HydrophobicContact CG-CG1 4.23Å; P698-A840 HydrophobicContact CB-CB 4.4Å; P698-A840 HydrophobicContact CG-CB 4.14Å
699	E	94	Very high	96.6	Very high	92 Å²	92	22.1 Å²	22.1	43%	0.43	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	11.9	-179.8	-56.8	-176.7	-112.1	0	0	115.7	A840 K842 S843	E699-A840 HydrophobicContact CB-CB 4.02Å; E699-A840 HydrophobicContact CG-CB 4.14Å; E699-K842 HydrophobicContact CB-CB 4.39Å; E699-S843 WeakPolarHBondContact OE2-CB 3.09Å; E699-S843 PolarHBondContact OE2-OG 3Å
700	T	93.8	Very high	96.6	Very high	40 Å²	40	22.1 Å²	22.1	25%	0.245	12%	0.116	C	C	.	.			trans	-81.7	156.2	171.6	62.4	0	0	0	0	112.5	T600 Y697 P698	T600-T700 HydrophobicContact CG2-CG2 3.79Å; Y697-T700 WeakPolarHBondContact O-CB 3.1Å; Y697-T700 WeakPolarHBondContact O-CG2 3.38Å; Y697-T700 PolarHBondContact O-N 3.47Å; Y697-T700 PolarHBondContact O-OG1 2.8Å; P698-T700 PolarHBondContact O-N 2.67Å; P698-T700 VanDerWaalsContact O-N 3.09Å
701	H	91.8	Very high	96.5	Very high	35 Å²	35	25.8 Å²	25.8	16%	0.162	14%	0.135	C	C	.	.			trans	-92.9	116.4	175.8	-178.1	77.3	0	0	0	110.7	I703 E726 V727 G728 Y886	H701-I703 VanDerWaalsContact CE1-CD1 3.5Å; H701-I703 WeakPolarHBondContact CE1-CD1 3.21Å; H701-E726 IonicContact CD2-OE1 3.38Å; H701-E726 IonicContact CE1-OE1 3.88Å; H701-E726 IonicContact NE2-OE1 2.99Å; H701-E726 PolarHBondContact NE2-OE1 2.83Å; H701-V727 WeakPolarHBondContact O-CA 3.47Å; H701-G728 PolarHBondContact O-N 2.97Å; H701-Y886 HydrophobicContact CB-CD1 4.35Å; H701-Y886 HydrophobicContact CB-CD2 3.79Å; H701-Y886 HydrophobicContact CB-CE1 4.35Å; H701-Y886 HydrophobicContact CB-CE2 3.81Å; H701-Y886 HydrophobicContact CB-CG 4.07Å; H701-Y886 AromaticContact CD2-CG 3.96Å; H701-Y886 VanDerWaalsContact CE1-CB 3.48Å; H701-Y886 WeakPolarHBondContact CE1-CB 3.5Å; H701-Y886 AromaticContact CG-CD2 3.79Å; H701-Y886 AromaticContact CG-CG 3.71Å; H701-Y886 AromaticContact ND1-CD2 3.83Å; H701-Y886 AromaticContact ND1-CG 3.88Å
702	I	95.2	Very high	96.4	Very high	38 Å²	38	29.3 Å²	29.3	20%	0.195	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	129.6	170.5	-179.3	159.8	0	0	0	110.2	F603 W694 F725 E726 V727	F603-I702 HydrophobicContact CE1-CD1 3.9Å; F603-I702 HydrophobicContact CZ-CD1 3.69Å; W694-I702 HydrophobicContact CG-CD1 4.2Å; I702-F725 HydrophobicContact CD1-CD1 4.21Å; I702-F725 HydrophobicContact CG1-CD1 4.24Å; I702-E726 CarbonylContact C-O 3.6Å; I702-E726 WeakPolarHBondContact CA-O 3.22Å; I702-V727 HydrophobicContact CD1-CG2 4.18Å; I702-V727 HydrophobicContact CG1-CG2 4.25Å
703	I	91.9	Very high	96.4	Very high	64 Å²	64	29.4 Å²	29.4	33%	0.328	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.9	178.4	-63.1	-179.1	0	0	0	109	H701 N705 F725 E726	H701-I703 VanDerWaalsContact CE1-CD1 3.5Å; H701-I703 WeakPolarHBondContact CE1-CD1 3.21Å; I703-N705 PolarHBondContact O-N 2.9Å; I703-F725 CarbonylContact O-C 3.59Å; I703-F725 VanDerWaalsContact O-CA 3.29Å; I703-F725 WeakPolarHBondContact O-CA 3.48Å; I703-E726 PolarHBondContact N-O 3.43Å; I703-E726 PolarHBondContact O-N 3.37Å
704	C	95.6	Very high	96.4	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122	167	-173.7	0	0	0	0	109.9	K453 E653 W694 S706 T724 F725	K453-C704 PolarHBondContact NZ-O 2.95Å; E653-C704 HydrophobicContact CB-CB 4.35Å; E653-C704 HydrophobicContact CG-CB 4.32Å; E653-C704 WeakPolarHBondContact OE2-CB 3.31Å; W694-C704 HydrophobicContact CH2-CB 4.04Å; W694-C704 HydrophobicContact CZ2-CB 4.47Å; C704-S706 PolarHBondContact SG-O 3Å; C704-T724 CarbonylContact C-O 3.58Å; C704-T724 WeakPolarHBondContact CA-O 3.27Å; C704-F725 HydrophobicContact CB-CD1 3.97Å; C704-F725 HydrophobicContact CB-CE1 3.76Å
705	N	91.3	Very high	96.3	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.144	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-30.2	-179.3	-77.7	-49.6	0	0	0	112.4	Q406 K453 L455 I703 T724 E726	Q406-N705 PolarHBondContact NE2-OD1 2.7Å; K453-N705 WeakPolarHBondContact CE-O 3.46Å; L455-N705 HydrophobicContact CD2-CB 4.42Å; I703-N705 PolarHBondContact O-N 2.9Å; N705-T724 PolarHBondContact N-O 2.98Å; N705-E726 WeakPolarHBondContact ND2-CB 3.44Å; N705-E726 PolarHBondContact ND2-N 3.26Å
706	S	96.1	Very high	96.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.2	173	65.8	0	0	0	0	111.8	S448 K453 C704 G723 T724	S448-S706 PolarHBondContact OG-OG 2.96Å; K453-S706 CarbonylContact O-C 3.46Å; K453-S706 WeakPolarHBondContact O-CA 3.3Å; K453-S706 WeakPolarHBondContact O-CB 3.22Å; C704-S706 PolarHBondContact SG-O 3Å; S706-G723 CarbonylContact O-C 3.49Å; S706-G723 VanDerWaalsContact O-CA 3.24Å; S706-G723 WeakPolarHBondContact O-CA 3.38Å; S706-T724 PolarHBondContact N-OG1 3.29Å; S706-T724 PolarHBondContact O-N 3.47Å; S706-T724 WeakPolarHBondContact OG-CB 3.26Å; S706-T724 WeakPolarHBondContact OG-CG2 3.44Å; S706-T724 PolarHBondContact OG-N 3.33Å; S706-T724 PolarHBondContact OG-OG1 3.48Å
707	Y	98.6	Very high	96.2	Very high	4 Å²	4	30 Å²	30	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	122.5	166.3	-171.7	-143.6	0	0	0	109.1	K453 E652 E653 I655 F657 R691 I692 V721 F722	K453-Y707 WeakPolarHBondContact CA-O 3.48Å; K453-Y707 WeakPolarHBondContact CB-O 3.34Å; K453-Y707 PolarHBondContact N-O 2.86Å; K453-Y707 PolarHBondContact O-N 3.43Å; E652-Y707 HydrophobicContact CG-CE1 3.84Å; E652-Y707 PolarHBondContact OE1-OH 2.9Å; E653-Y707 HydrophobicContact CB-CD1 3.61Å; E653-Y707 HydrophobicContact CB-CE1 4.42Å; E653-Y707 HydrophobicContact CB-CG 4Å; E653-Y707 HydrophobicContact CG-CD1 4.12Å; E653-Y707 HydrophobicContact CG-CG 4.32Å; E653-Y707 WeakPolarHBondContact O-CD1 3.49Å; E653-Y707 WeakPolarHBondContact O-CE1 3.45Å; I655-Y707 HydrophobicContact CD1-CE1 4.49Å; I655-Y707 HydrophobicContact CG1-CD1 4.39Å; I655-Y707 HydrophobicContact CG1-CE1 3.77Å; F657-Y707 AromaticContact CE1-CD1 3.85Å; F657-Y707 HydrophobicContact CE1-CD1 3.85Å; F657-Y707 HydrophobicContact CE1-CD2 4.39Å; F657-Y707 AromaticContact CE1-CE1 3.97Å; F657-Y707 HydrophobicContact CE1-CE1 3.97Å; F657-Y707 HydrophobicContact CE1-CE2 4.44Å; F657-Y707 HydrophobicContact CE1-CG 4.1Å; F657-Y707 HydrophobicContact CZ-CD1 4.44Å; F657-Y707 HydrophobicContact CZ-CE1 4.14Å; F657-Y707 HydrophobicContact CZ-CE2 4.26Å; R691-Y707 WeakPolarHBondContact CA-OH 3.32Å; I692-Y707 HydrophobicContact CB-CD2 4.49Å; I692-Y707 HydrophobicContact CB-CE2 3.79Å; I692-Y707 HydrophobicContact CD1-CE2 4.23Å; I692-Y707 HydrophobicContact CG1-CE2 4.06Å; I692-Y707 PolarHBondContact N-OH 2.84Å; Y707-V721 HydrophobicContact CD2-CG1 4.26Å; Y707-V721 HydrophobicContact CE2-CG1 3.74Å; Y707-F722 WeakPolarHBondContact CA-O 3.22Å
708	G	98.5	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-178.4	-169.2	0	0	0	0	0	113.9	L451 V721 F722	L451-G708 WeakPolarHBondContact O-CA 3.35Å; G708-V721 CarbonylContact O-C 3.59Å; G708-V721 VanDerWaalsContact O-CA 3.32Å; G708-V721 WeakPolarHBondContact O-CA 3.33Å; G708-F722 VanDerWaalsContact CA-CE2 3.42Å; G708-F722 PolarHBondContact N-O 3.07Å; G708-F722 VanDerWaalsContact N-O 3.12Å; G708-F722 PolarHBondContact O-N 2.87Å
709	C	98.7	Very high	96.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.3	177.9	71.7	0	0	0	0	112.5	L451 F657 T660 P720 V721 F722	L451-C709 PolarHBondContact N-O 2.65Å; L451-C709 PolarHBondContact O-N 2.73Å; L451-C709 VanDerWaalsContact O-N 3.11Å; F657-C709 HydrophobicContact CD2-CB 3.97Å; F657-C709 HydrophobicContact CE2-CB 4.45Å; T660-C709 HydrophobicContact CG2-CB 4.11Å; C709-P720 CarbonylContact C-O 3.54Å; C709-P720 WeakPolarHBondContact CA-O 3.44Å; C709-P720 WeakPolarHBondContact CB-O 3.33Å; C709-V721 HydrophobicContact CB-CG2 4.08Å; C709-F722 VanDerWaalsContact C-CE1 3.46Å
710	T	98.4	Very high	96.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.			trans	-83	142.8	177.1	58.9	0	0	0	0	111.7	W445 I713 S719 P720 F722	W445-T710 HydrophobicContact CB-CG2 3.87Å; T710-I713 HydrophobicContact CG2-CD1 4.15Å; T710-S719 WeakPolarHBondContact O-CB 3.46Å; T710-S719 PolarHBondContact O-OG 3.22Å; T710-P720 HydrophobicContact CG2-CB 4.41Å; T710-P720 PolarHBondContact N-O 2.75Å; T710-P720 VanDerWaalsContact OG1-CD 3.23Å; T710-P720 WeakPolarHBondContact OG1-CD 3.34Å; T710-P720 WeakPolarHBondContact OG1-CG 3.48Å; T710-F722 HydrophobicContact CG2-CD1 4.18Å; T710-F722 HydrophobicContact CG2-CE1 4.1Å
711	D	97.2	Very high	96.9	Very high	76 Å²	76	20.6 Å²	20.6	41%	0.406	11%	0.111	S	C	.	.	S	Bend	trans	-104.3	-8.2	177.5	47.5	3	0	0	0	114.2	G450 L451 R668	G450-D711 WeakPolarHBondContact CA-OD1 3.42Å; L451-D711 HydrophobicContact CD1-CB 4.35Å; L451-D711 HydrophobicContact CG-CB 4.26Å; R668-D711 VanDerWaalsContact CG-O 3.26Å; R668-D711 WeakPolarHBondContact CG-O 3.48Å
712	D	97.1	Very high	97.2	Very high	75 Å²	75	19 Å²	19	40%	0.401	10%	0.103	S	C	.	.	S	Bend	trans	-100.1	-19.3	-178.9	64.2	-21.3	0	0	0	115	S444 V714	S444-D712 VanDerWaalsContact CB-OD1 3.27Å; S444-D712 WeakPolarHBondContact CB-OD1 3.21Å; S444-D712 WeakPolarHBondContact CB-OD2 3.44Å; S444-D712 PolarHBondContact OG-OD2 3.09Å; D712-V714 PolarHBondContact O-N 3.39Å
713	I	98	Very high	97.4	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	9%	0.094	C	C	.	.			trans	-89.8	102	179.2	-64.4	165.6	0	0	0	110.1	W431 P439 V442 W445 R668 T710 P720	W431-I713 HydrophobicContact CH2-CG2 3.66Å; W431-I713 HydrophobicContact CZ2-CG2 3.55Å; W431-I713 HydrophobicContact CZ3-CG2 4.36Å; P439-I713 HydrophobicContact CG-CG1 4.42Å; P439-I713 HydrophobicContact CG-CG2 4.06Å; V442-I713 HydrophobicContact CB-CD1 3.91Å; V442-I713 HydrophobicContact CG1-CD1 4.02Å; W445-I713 HydrophobicContact CB-CD1 3.88Å; R668-I713 PolarHBondContact NH1-O 3.13Å; T710-I713 HydrophobicContact CG2-CD1 4.15Å; I713-P720 HydrophobicContact CB-CG 3.84Å; I713-P720 HydrophobicContact CD1-CG 3.91Å; I713-P720 HydrophobicContact CG1-CG 4.5Å; I713-P720 HydrophobicContact CG2-CG 3.58Å
714	V	98.1	Very high	97.7	Very high	39 Å²	39	14.1 Å²	14.1	24%	0.236	8%	0.079	C	C	.	.			trans	-115.2	7.8	-166.6	-61	0	0	0	0	116	G666 R668 D712	G666-V714 PolarHBondContact N-O 3.34Å; R668-V714 HydrophobicContact CG-CG1 3.94Å; D712-V714 PolarHBondContact O-N 3.39Å
715	T	97.7	Very high	97.7	Very high	41 Å²	41	13.9 Å²	13.9	25%	0.252	8%	0.077	S	C	.	.	S	Bend	trans	-70.1	-33.5	-176.8	56	0	0	0	0	113.3	W431 V436 P439 R665	W431-T715 WeakPolarHBondContact CZ2-OG1 3.35Å; V436-T715 WeakPolarHBondContact CG2-O 3.37Å; P439-T715 HydrophobicContact CB-CG2 4.16Å; P439-T715 HydrophobicContact CG-CG2 4.31Å; R665-T715 VanDerWaalsContact CD-O 3.29Å; R665-T715 WeakPolarHBondContact CD-O 3.39Å; R665-T715 WeakPolarHBondContact CG-O 3.35Å
716	S	98	Very high	97.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-96.8	157.1	178.1	-179	0	0	0	0	112	N432 G434 R668 H718	N432-S716 WeakPolarHBondContact O-CB 3.44Å; N432-S716 PolarHBondContact O-OG 3.22Å; G434-S716 PolarHBondContact N-OG 2.97Å; R668-S716 PolarHBondContact NH1-O 3.49Å; R668-S716 PolarHBondContact NH2-O 2.94Å; S716-H718 WeakPolarHBondContact CB-O 3.42Å; S716-H718 PolarHBondContact O-N 2.99Å; S716-H718 PolarHBondContact OG-N 3.43Å; S716-H718 VanDerWaalsContact OG-N 3.09Å
717	D	97.2	Very high	97.7	Very high	15 Å²	15	13.7 Å²	13.7	8%	0.08	8%	0.075	C	C	.	.	S	Bend	trans	-76.1	1.6	166.2	47.8	-39.3	0	0	0	113.3	R662 Y663 R665	R662-D717 WeakPolarHBondContact CA-O 3.35Å; R662-D717 HydrophobicContact CG-CB 3.96Å; R662-D717 IonicContact CZ-OD2 3.61Å; R662-D717 IonicContact NE-OD2 3.63Å; R662-D717 PolarHBondContact NE-OD2 3.4Å; R662-D717 IonicContact NH2-OD2 2.7Å; R662-D717 PolarHBondContact NH2-OD2 2.81Å; Y663-D717 PolarHBondContact N-O 2.8Å; Y663-D717 WeakPolarHBondContact O-CA 3.18Å; Y663-D717 WeakPolarHBondContact O-CB 3.4Å; R665-D717 HydrophobicContact CG-CB 4.27Å; R665-D717 IonicContact CZ-OD1 3.78Å; R665-D717 VanDerWaalsContact CZ-OD1 3.26Å; R665-D717 IonicContact NE-OD1 2.81Å; R665-D717 PolarHBondContact NE-OD1 3.06Å; R665-D717 IonicContact NH2-OD1 2.83Å; R665-D717 PolarHBondContact NH2-OD1 3.09Å
718	H	98.6	Very high	97.4	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.037	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-109.7	150.2	159.8	-64.1	-122.9	0	0	0	111.3	W431 N432 D607 T660 Y661 R668 D690 S716	W431-H718 PolarHBondContact NE1-O 2.89Å; N432-H718 HydrophobicContact CB-CB 4.06Å; N432-H718 PolarHBondContact ND2-NE2 3.28Å; D607-H718 IonicContact OD2-CE1 2.86Å; D607-H718 PolarHBondContact OD2-CE1 2.98Å; D607-H718 VanDerWaalsContact OD2-CE1 3.3Å; D607-H718 IonicContact OD2-NE2 3.78Å; T660-H718 VanDerWaalsContact O-CA 3.32Å; T660-H718 WeakPolarHBondContact O-CA 3.32Å; Y661-H718 AromaticContact CD2-CD2 3.64Å; Y661-H718 AromaticContact CD2-CE1 3.47Å; Y661-H718 VanDerWaalsContact CD2-CE1 3.47Å; Y661-H718 WeakPolarHBondContact CD2-CE1 3.36Å; Y661-H718 AromaticContact CD2-ND1 3.95Å; Y661-H718 AromaticContact CD2-NE2 3.22Å; Y661-H718 WeakPolarHBondContact CD2-NE2 3.49Å; Y661-H718 AromaticContact CE2-NE2 3.54Å; R668-H718 PolarHBondContact NH1-O 3.27Å; D690-H718 IonicContact OD1-CG 3.91Å; D690-H718 IonicContact OD1-ND1 2.77Å; D690-H718 PolarHBondContact OD1-ND1 3.25Å; D690-H718 IonicContact OD2-CE1 3.85Å; D690-H718 IonicContact OD2-CG 3.6Å; D690-H718 IonicContact OD2-ND1 3.23Å; D690-H718 PolarHBondContact OD2-ND1 2.98Å; S716-H718 WeakPolarHBondContact CB-O 3.42Å; S716-H718 PolarHBondContact O-N 2.99Å; S716-H718 PolarHBondContact OG-N 3.43Å; S716-H718 VanDerWaalsContact OG-N 3.09Å
719	S	98.8	Very high	97	Very high	1 Å²	1	14 Å²	14	1%	0.007	8%	0.079	C	C	.	.			trans	-95.3	134.1	167.8	-70.4	0	0	0	0	111.8	T660 Y663 R668 T710 V721	T660-S719 PolarHBondContact O-N 2.68Å; Y663-S719 WeakPolarHBondContact CE2-OG 3.3Å; R668-S719 WeakPolarHBondContact CD-OG 3.38Å; R668-S719 PolarHBondContact NH1-OG 2.95Å; T710-S719 WeakPolarHBondContact O-CB 3.46Å; T710-S719 PolarHBondContact O-OG 3.22Å; S719-V721 PolarHBondContact O-N 2.89Å
720	P	98.8	Very high	96.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.			trans	-53	135.5	174.1	-20.5	23.3	0	0	0	113.6	W431 W445 C709 T710 I713	W431-P720 HydrophobicContact CB-CB 4.06Å; W431-P720 HydrophobicContact CB-CG 4.38Å; W431-P720 HydrophobicContact CD2-CB 4.28Å; W431-P720 HydrophobicContact CD2-CG 3.65Å; W431-P720 HydrophobicContact CE3-CG 4.2Å; W431-P720 HydrophobicContact CG-CB 3.91Å; W431-P720 HydrophobicContact CG-CG 3.7Å; W431-P720 HydrophobicContact CZ2-CG 4.34Å; W445-P720 HydrophobicContact CB-CB 4.36Å; W445-P720 HydrophobicContact CD2-CB 3.98Å; W445-P720 HydrophobicContact CG-CB 3.75Å; C709-P720 CarbonylContact C-O 3.54Å; C709-P720 WeakPolarHBondContact CA-O 3.44Å; C709-P720 WeakPolarHBondContact CB-O 3.33Å; T710-P720 HydrophobicContact CG2-CB 4.41Å; T710-P720 PolarHBondContact N-O 2.75Å; T710-P720 VanDerWaalsContact OG1-CD 3.23Å; T710-P720 WeakPolarHBondContact OG1-CD 3.34Å; T710-P720 WeakPolarHBondContact OG1-CG 3.48Å; I713-P720 HydrophobicContact CB-CG 3.84Å; I713-P720 HydrophobicContact CD1-CG 3.91Å; I713-P720 HydrophobicContact CG1-CG 4.5Å; I713-P720 HydrophobicContact CG2-CG 3.58Å
721	V	98.9	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.6	175	171.4	0	0	0	0	110.1	G429 T430 W445 F657 T660 D690 I692 Y707 G708 C709 S719	G429-V721 WeakPolarHBondContact CA-O 3.1Å; T430-V721 HydrophobicContact CG2-CB 3.85Å; T430-V721 HydrophobicContact CG2-CG1 4.19Å; T430-V721 PolarHBondContact N-O 2.83Å; T430-V721 PolarHBondContact O-N 2.84Å; W445-V721 PolarHBondContact NE1-O 2.96Å; F657-V721 HydrophobicContact CE2-CG2 4.28Å; T660-V721 HydrophobicContact CG2-CG2 3.46Å; T660-V721 VanDerWaalsContact CG2-CG2 3.46Å; D690-V721 HydrophobicContact CB-CB 4.36Å; D690-V721 HydrophobicContact CB-CG2 3.67Å; I692-V721 HydrophobicContact CD1-CG1 3.97Å; I692-V721 HydrophobicContact CG1-CG1 4.2Å; Y707-V721 HydrophobicContact CD2-CG1 4.26Å; Y707-V721 HydrophobicContact CE2-CG1 3.74Å; G708-V721 CarbonylContact O-C 3.59Å; G708-V721 VanDerWaalsContact O-CA 3.32Å; G708-V721 WeakPolarHBondContact O-CA 3.33Å; C709-V721 HydrophobicContact CB-CG2 4.08Å; S719-V721 PolarHBondContact O-N 2.89Å
722	F	98.8	Very high	94.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.6	176.7	50.6	-100.6	0	0	0	111.3	F427 I428 S448 K449 T454 Y707 G708 C709 T710	F427-F722 HydrophobicContact CE2-CB 3.8Å; F427-F722 HydrophobicContact CZ-CB 4.01Å; I428-F722 CarbonylContact O-C 3.58Å; I428-F722 WeakPolarHBondContact O-CA 3.49Å; S448-F722 WeakPolarHBondContact OG-CD2 3.47Å; K449-F722 WeakPolarHBondContact O-CE1 3.34Å; T454-F722 HydrophobicContact CG2-CE2 4.03Å; T454-F722 HydrophobicContact CG2-CZ 3.64Å; Y707-F722 WeakPolarHBondContact CA-O 3.22Å; G708-F722 VanDerWaalsContact CA-CE2 3.42Å; G708-F722 PolarHBondContact N-O 3.07Å; G708-F722 VanDerWaalsContact N-O 3.12Å; G708-F722 PolarHBondContact O-N 2.87Å; C709-F722 VanDerWaalsContact C-CE1 3.46Å; T710-F722 HydrophobicContact CG2-CD1 4.18Å; T710-F722 HydrophobicContact CG2-CE1 4.1Å
723	G	98.6	Very high	93.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.4	169.7	0	0	0	0	0	109	I428 I692 S706	I428-G723 PolarHBondContact N-O 2.91Å; I428-G723 PolarHBondContact O-N 3.02Å; I692-G723 VanDerWaalsContact CD1-N 3.29Å; S706-G723 CarbonylContact O-C 3.49Å; S706-G723 VanDerWaalsContact O-CA 3.24Å; S706-G723 WeakPolarHBondContact O-CA 3.38Å
724	T	98.2	Very high	91.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.2	170.4	65.8	0	0	0	0	111	I426 F427 S448 L455 C704 N705 S706	I426-T724 CarbonylContact O-C 3.56Å; I426-T724 WeakPolarHBondContact O-CA 3.37Å; F427-T724 HydrophobicContact CB-CG2 4.39Å; F427-T724 HydrophobicContact CD2-CG2 3.76Å; S448-T724 WeakPolarHBondContact OG-CG2 3.17Å; L455-T724 HydrophobicContact CD1-CG2 4.44Å; C704-T724 CarbonylContact C-O 3.58Å; C704-T724 WeakPolarHBondContact CA-O 3.27Å; N705-T724 PolarHBondContact N-O 2.98Å; S706-T724 PolarHBondContact N-OG1 3.29Å; S706-T724 PolarHBondContact O-N 3.47Å; S706-T724 WeakPolarHBondContact OG-CB 3.26Å; S706-T724 WeakPolarHBondContact OG-CG2 3.44Å; S706-T724 PolarHBondContact OG-N 3.33Å; S706-T724 PolarHBondContact OG-OG1 3.48Å
725	F	97.2	Very high	88.9	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.9	-173.8	-58.7	-87.7	0	0	0	110	S425 I426 I428 F603 I692 W694 I702 I703 C704 V727	S425-F725 CarbonylContact C-O 3.54Å; S425-F725 VanDerWaalsContact CA-O 3.26Å; S425-F725 WeakPolarHBondContact CA-O 3.19Å; S425-F725 PolarHBondContact OG-O 3.46Å; I426-F725 PolarHBondContact N-O 3.43Å; I426-F725 PolarHBondContact O-N 2.96Å; I428-F725 HydrophobicContact CD1-CD2 4.18Å; I428-F725 HydrophobicContact CD1-CE2 3.92Å; I428-F725 HydrophobicContact CG1-CD2 4.37Å; I428-F725 HydrophobicContact CG1-CE2 4.26Å; F603-F725 HydrophobicContact CD1-CD2 4.27Å; F603-F725 HydrophobicContact CD1-CE2 4.04Å; F603-F725 HydrophobicContact CD1-CZ 4.25Å; F603-F725 HydrophobicContact CE1-CB 4.41Å; F603-F725 AromaticContact CE1-CD1 3.9Å; F603-F725 HydrophobicContact CE1-CD1 3.9Å; F603-F725 AromaticContact CE1-CD2 3.61Å; F603-F725 HydrophobicContact CE1-CD2 3.61Å; F603-F725 HydrophobicContact CE1-CE1 4.03Å; F603-F725 AromaticContact CE1-CE2 3.76Å; F603-F725 HydrophobicContact CE1-CE2 3.76Å; F603-F725 AromaticContact CE1-CG 3.68Å; F603-F725 HydrophobicContact CE1-CG 3.68Å; F603-F725 AromaticContact CE1-CZ 3.97Å; F603-F725 HydrophobicContact CE1-CZ 3.97Å; F603-F725 HydrophobicContact CZ-CB 4.42Å; F603-F725 HydrophobicContact CZ-CD2 4.27Å; F603-F725 HydrophobicContact CZ-CG 4.16Å; I692-F725 HydrophobicContact CG2-CE2 4.18Å; I692-F725 HydrophobicContact CG2-CZ 4.13Å; W694-F725 AromaticContact CD2-CE1 3.78Å; W694-F725 HydrophobicContact CD2-CE1 3.78Å; W694-F725 HydrophobicContact CD2-CZ 4.38Å; W694-F725 AromaticContact CE3-CE1 3.53Å; W694-F725 HydrophobicContact CE3-CE1 3.53Å; W694-F725 AromaticContact CE3-CZ 3.81Å; W694-F725 HydrophobicContact CE3-CZ 3.81Å; W694-F725 HydrophobicContact CG-CE1 4.41Å; W694-F725 HydrophobicContact CH2-CE1 4.25Å; W694-F725 HydrophobicContact CZ2-CE1 4.45Å; W694-F725 AromaticContact CZ3-CE1 3.78Å; W694-F725 HydrophobicContact CZ3-CE1 3.78Å; W694-F725 HydrophobicContact CZ3-CZ 4.15Å; I702-F725 HydrophobicContact CD1-CD1 4.21Å; I702-F725 HydrophobicContact CG1-CD1 4.24Å; I703-F725 CarbonylContact O-C 3.59Å; I703-F725 VanDerWaalsContact O-CA 3.29Å; I703-F725 WeakPolarHBondContact O-CA 3.48Å; C704-F725 HydrophobicContact CB-CD1 3.97Å; C704-F725 HydrophobicContact CB-CE1 3.76Å; F725-V727 HydrophobicContact CB-CG2 3.89Å
726	E	91.9	Very high	86.4	Confident	22 Å²	22	32.7 Å²	32.7	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.1	155.6	176.7	-179.8	97.6	0	0	107.3	Q409 M423 H701 I702 I703 N705	Q409-E726 VanDerWaalsContact NE2-CD 3.28Å; Q409-E726 PolarHBondContact NE2-OE1 3.46Å; Q409-E726 VanDerWaalsContact NE2-OE1 3.14Å; Q409-E726 PolarHBondContact NE2-OE2 2.83Å; M423-E726 HydrophobicContact SD-CG 3.91Å; H701-E726 IonicContact CD2-OE1 3.38Å; H701-E726 IonicContact CE1-OE1 3.88Å; H701-E726 IonicContact NE2-OE1 2.99Å; H701-E726 PolarHBondContact NE2-OE1 2.83Å; I702-E726 CarbonylContact C-O 3.6Å; I702-E726 WeakPolarHBondContact CA-O 3.22Å; I703-E726 PolarHBondContact N-O 3.43Å; I703-E726 PolarHBondContact O-N 3.37Å; N705-E726 WeakPolarHBondContact ND2-CB 3.44Å; N705-E726 PolarHBondContact ND2-N 3.26Å
727	V	95.2	Very high	83.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.4	-175.5	-171.7	0	0	0	0	109.4	M423 I424 I426 F555 H601 F603 H701 I702 F725	M423-V727 CarbonylContact C-O 3.51Å; M423-V727 VanDerWaalsContact CA-O 3.24Å; M423-V727 WeakPolarHBondContact CA-O 3.43Å; I424-V727 PolarHBondContact N-O 2.96Å; I424-V727 PolarHBondContact O-N 3.14Å; I426-V727 HydrophobicContact CD1-CB 4.44Å; I426-V727 HydrophobicContact CD1-CG2 3.95Å; I426-V727 HydrophobicContact CG1-CG2 4.31Å; F555-V727 HydrophobicContact CE1-CG1 3.91Å; F555-V727 HydrophobicContact CZ-CG1 3.88Å; H601-V727 VanDerWaalsContact CD2-CG1 3.42Å; H601-V727 WeakPolarHBondContact CD2-CG1 3.36Å; H601-V727 VanDerWaalsContact NE2-CG1 3.31Å; H601-V727 WeakPolarHBondContact NE2-CG1 3.21Å; F603-V727 HydrophobicContact CZ-CG2 4.27Å; H701-V727 WeakPolarHBondContact O-CA 3.47Å; I702-V727 HydrophobicContact CD1-CG2 4.18Å; I702-V727 HydrophobicContact CG1-CG2 4.25Å; F725-V727 HydrophobicContact CB-CG2 3.89Å
728	G	91.1	Very high	81.1	Confident	8 Å²	8	42.5 Å²	42.5	8%	0.082	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135.4	172.5	0	0	0	0	0	110.9	D422 H701	D422-G728 WeakPolarHBondContact O-CA 3.4Å; H701-G728 PolarHBondContact O-N 2.97Å
729	V	91.3	Very high	78.7	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	27%	0.274	C	S	.	.			trans	-127.7	154.5	178.6	-73.2	0	0	0	0	111.4	P421 D422 I424 F550 T553 F555	P421-V729 WeakPolarHBondContact O-CG2 3.41Å; D422-V729 PolarHBondContact O-N 2.73Å; I424-V729 HydrophobicContact CD1-CG1 3.84Å; I424-V729 HydrophobicContact CG1-CG1 3.79Å; I424-V729 HydrophobicContact CG1-CG2 4.46Å; I424-V729 HydrophobicContact CG2-CG2 4.13Å; F550-V729 HydrophobicContact CD1-CB 4.26Å; F550-V729 HydrophobicContact CD1-CG1 4.15Å; F550-V729 HydrophobicContact CD1-CG2 4.35Å; F550-V729 HydrophobicContact CE1-CG2 4.17Å; T553-V729 HydrophobicContact CG2-CG1 4.19Å; T553-V729 WeakPolarHBondContact OG1-CA 3.18Å; F555-V729 HydrophobicContact CE2-CG1 3.93Å; F555-V729 HydrophobicContact CZ-CG1 3.87Å
730	T	87.6	Confident	76.1	Confident	19 Å²	19	53.9 Å²	53.9	12%	0.117	30%	0.295	C	S	.	.			trans	-110.2	135.8	-170.3	64.1	0	0	0	0	109.5	N551 G552 T553 D818	N551-T730 WeakPolarHBondContact CB-O 3.3Å; G552-T730 VanDerWaalsContact CA-OG1 3.27Å; G552-T730 WeakPolarHBondContact CA-OG1 3.45Å; G552-T730 PolarHBondContact N-O 3.07Å; G552-T730 PolarHBondContact O-OG1 2.58Å; T553-T730 PolarHBondContact N-OG1 2.83Å; T553-T730 PolarHBondContact OG1-N 3.17Å; T553-T730 PolarHBondContact OG1-OG1 3.41Å; T730-D818 HydrophobicContact CG2-CB 3.67Å
731	S	81.2	Confident	73.8	Confident	24 Å²	24	61.8 Å²	61.8	17%	0.168	33%	0.329	C	S	.	.			trans	-66.5	157.6	-177.8	-71.2	0	0	0	0	112.4	F733	S731-F733 WeakPolarHBondContact O-CD2 3.37Å; S731-F733 PolarHBondContact O-N 2.87Å; S731-F733 VanDerWaalsContact O-N 3.12Å
732	Q	73.8	Confident	71.6	Confident	99 Å²	99	68 Å²	68	46%	0.463	37%	0.368	S	S	.	.			trans	-74.8	99.7	168.7	-63.1	-173.9	41.7	0	0	109.5	N551 I734	N551-Q732 HydrophobicContact CB-CG 3.68Å; N551-Q732 PolarHBondContact OD1-NE2 2.91Å; Q732-I734 PolarHBondContact O-N 3.02Å; Q732-I734 VanDerWaalsContact O-N 3.12Å
733	F	65.6	Low	69.2	Low	71 Å²	71	71.9 Å²	71.9	31%	0.311	39%	0.394	S	S	.	.			trans	-78.2	96.8	-179.6	-73.1	-95.9	0	0	0	111.5	S731 L810 E814 Y815	S731-F733 WeakPolarHBondContact O-CD2 3.37Å; S731-F733 PolarHBondContact O-N 2.87Å; S731-F733 VanDerWaalsContact O-N 3.12Å; F733-L810 HydrophobicContact CB-CD1 3.51Å; F733-L810 HydrophobicContact CG-CD1 4.44Å; F733-E814 HydrophobicContact CE1-CB 4.44Å; F733-E814 HydrophobicContact CZ-CB 4.4Å; F733-Y815 HydrophobicContact CB-CD2 3.86Å; F733-Y815 HydrophobicContact CB-CE2 4.28Å; F733-Y815 HydrophobicContact CD1-CD2 4.28Å; F733-Y815 HydrophobicContact CD1-CG 4.45Å; F733-Y815 AromaticContact CD2-CD2 3.46Å; F733-Y815 HydrophobicContact CD2-CD2 3.46Å; F733-Y815 VanDerWaalsContact CD2-CD2 3.46Å; F733-Y815 HydrophobicContact CD2-CE2 4.26Å; F733-Y815 HydrophobicContact CD2-CG 4.32Å; F733-Y815 AromaticContact CE2-CD2 3.97Å; F733-Y815 HydrophobicContact CE2-CD2 3.97Å; F733-Y815 AromaticContact CG-CD2 3.62Å; F733-Y815 HydrophobicContact CG-CD2 3.62Å; F733-Y815 HydrophobicContact CG-CE2 4.45Å; F733-Y815 HydrophobicContact CG-CG 4.21Å
734	I	60	Low	67.7	Low	136 Å²	136	74.2 Å²	74.2	70%	0.697	41%	0.407	S	S	*	.			trans	-87.6	127.7	170.1	-56.7	174.3	0	0	0	108.9	Q732 K736	Q732-I734 PolarHBondContact O-N 3.02Å; Q732-I734 VanDerWaalsContact O-N 3.12Å; I734-K736 PolarHBondContact O-N 2.91Å
735	S	48.8	Very low	66.9	Low	71 Å²	71	77.2 Å²	77.2	50%	0.497	42%	0.421	S	S	.	.			trans	-61.5	111.3	173.8	-173.2	0	0	0	0	110.8	K737	S735-K737 PolarHBondContact O-N 3.45Å; S735-K737 PolarHBondContact OG-O 2.81Å
736	K	44.8	Very low	66.5	Low	207 Å²	207	77.1 Å²	77.1	90%	0.9	42%	0.421	S	S	*	.	S	Bend	trans	-74.4	9.1	179.1	-65.8	-175.7	178.5	177	0	113.9	I734	I734-K736 PolarHBondContact O-N 2.91Å
737	K	41.8	Very low	66.5	Low	145 Å²	145	79.2 Å²	79.2	63%	0.63	43%	0.428	S	S	*	.	S	Bend	trans	-141.8	133.7	169.7	-65.7	-178.8	-179	174.9	0	109.2	S735	S735-K737 PolarHBondContact O-N 3.45Å; S735-K737 PolarHBondContact OG-O 2.81Å
738	G	41.9	Very low	66.6	Low	76 Å²	76	79.2 Å²	79.2	78%	0.784	43%	0.428	S	S	*	.	S	Bend	trans	-66.1	136.3	168	0	0	0	0	0	110.4	S740	G738-S740 PolarHBondContact O-N 3.2Å
739	L	48.2	Very low	66.8	Low	182 Å²	182	80.7 Å²	80.7	95%	0.953	43%	0.433	S	S	*	.	S	Bend	trans	28	80.8	169.7	-71.4	163.6	0	0	0	114.7
740	S	43.7	Very low	67.1	Low	65 Å²	65	81.1 Å²	81.1	46%	0.455	43%	0.434	S	S	.	.			trans	-67.7	163.4	173.4	-151.1	0	0	0	0	111.6	G738 D744	G738-S740 PolarHBondContact O-N 3.2Å; S740-D744 VanDerWaalsContact OG-CG 3.24Å; S740-D744 PolarHBondContact OG-OD2 3.06Å
741	K	50.9	Low	67.6	Low	167 Å²	167	84 Å²	84	73%	0.726	45%	0.446	S	S	*	.			trans	-64.8	157.9	-179.8	-64	177	-178.3	177.9	0	110.8	S743 D744	K741-S743 PolarHBondContact O-N 2.93Å; K741-D744 WeakPolarHBondContact O-CB 3.34Å; K741-D744 PolarHBondContact O-N 3.31Å
742	T	52.3	Low	68.4	Low	131 Å²	131	85.6 Å²	85.6	80%	0.804	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-59	-12.2	179.3	47.7	0	0	0	0	114.9	D744	T742-D744 VanDerWaalsContact C-N 3.3Å
743	S	50.3	Low	69.5	Low	80 Å²	80	81 Å²	81	56%	0.559	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-67.2	-24.1	170	47.4	0	0	0	0	114.6	K741	K741-S743 PolarHBondContact O-N 2.93Å
744	D	66.9	Low	71.1	Confident	50 Å²	50	79 Å²	79	27%	0.267	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-99.2	2.3	-165.5	-67.6	31.7	0	0	0	113.1	S740 K741 T742 A811 R878	S740-D744 VanDerWaalsContact OG-CG 3.24Å; S740-D744 PolarHBondContact OG-OD2 3.06Å; K741-D744 WeakPolarHBondContact O-CB 3.34Å; K741-D744 PolarHBondContact O-N 3.31Å; T742-D744 VanDerWaalsContact C-N 3.3Å; D744-A811 WeakPolarHBondContact O-CB 3.3Å; D744-R878 IonicContact OD2-NH2 3.21Å
745	Q	80.2	Confident	72.9	Confident	64 Å²	64	72.6 Å²	72.6	30%	0.299	40%	0.395	S	S	.	.			trans	-84.7	139.9	-173.5	-178.9	163.1	69.6	0	0	112	Y747	Q745-Y747 HydrophobicContact CB-CE1 4.48Å; Q745-Y747 HydrophobicContact CB-CE2 4.34Å; Q745-Y747 HydrophobicContact CG-CD1 4.47Å; Q745-Y747 HydrophobicContact CG-CE1 3.75Å; Q745-Y747 HydrophobicContact CG-CE2 4.37Å; Q745-Y747 WeakPolarHBondContact O-CE2 3.46Å; Q745-Y747 VanDerWaalsContact OE1-CE1 3.3Å; Q745-Y747 PolarHBondContact OE1-OH 3.38Å
746	A	89.3	Confident	75.2	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.384	C	S	.	.			trans	-86.8	157.1	169.2	0	0	0	0	0	111	P808 A811 L816 R873 V874	A746-P808 WeakPolarHBondContact O-CD 3.22Å; A746-A811 HydrophobicContact CB-CB 3.76Å; A746-L816 HydrophobicContact CB-CD1 3.81Å; A746-R873 VanDerWaalsContact CA-O 3.24Å; A746-R873 WeakPolarHBondContact CA-O 3.46Å; A746-R873 WeakPolarHBondContact CB-O 3.48Å; A746-V874 HydrophobicContact CB-CG2 4.36Å
747	Y	93	Very high	77.7	Confident	66 Å²	66	61.8 Å²	61.8	26%	0.259	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136	-179.8	-61.4	-69.8	0	0	0	111	Q745 T805 L806 K807 V872 R873	Q745-Y747 HydrophobicContact CB-CE1 4.48Å; Q745-Y747 HydrophobicContact CB-CE2 4.34Å; Q745-Y747 HydrophobicContact CG-CD1 4.47Å; Q745-Y747 HydrophobicContact CG-CE1 3.75Å; Q745-Y747 HydrophobicContact CG-CE2 4.37Å; Q745-Y747 WeakPolarHBondContact O-CE2 3.46Å; Q745-Y747 VanDerWaalsContact OE1-CE1 3.3Å; Q745-Y747 PolarHBondContact OE1-OH 3.38Å; Y747-T805 HydrophobicContact CD1-CG2 4Å; Y747-T805 HydrophobicContact CG-CG2 4.38Å; Y747-L806 WeakPolarHBondContact CA-O 3.49Å; Y747-K807 HydrophobicContact CD1-CG 4.02Å; Y747-K807 HydrophobicContact CE1-CD 4.27Å; Y747-K807 HydrophobicContact CE1-CG 3.94Å; Y747-V872 CarbonylContact O-C 3.49Å; Y747-V872 WeakPolarHBondContact O-CA 3.44Å; Y747-R873 PolarHBondContact N-O 3.09Å; Y747-R873 PolarHBondContact O-N 2.86Å
748	I	96.2	Very high	80.2	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.9	168.1	-44.6	177.3	0	0	0	107.4	F750 T805 L806 P808 L821 L841 M870 K871 V872	I748-F750 HydrophobicContact CG2-CE2 4.34Å; I748-F750 HydrophobicContact CG2-CZ 4.38Å; I748-T805 WeakPolarHBondContact O-CA 3.07Å; I748-L806 HydrophobicContact CB-CB 4.01Å; I748-L806 HydrophobicContact CB-CD1 4.38Å; I748-L806 HydrophobicContact CB-CG 4.4Å; I748-L806 HydrophobicContact CD1-CB 4.3Å; I748-L806 HydrophobicContact CD1-CD1 4.26Å; I748-L806 HydrophobicContact CG1-CB 4.35Å; I748-L806 PolarHBondContact N-O 3.48Å; I748-L806 PolarHBondContact O-N 3.32Å; I748-P808 HydrophobicContact CD1-CG 3.98Å; I748-P808 HydrophobicContact CG1-CG 3.92Å; I748-L821 HydrophobicContact CD1-CD1 4.18Å; I748-L821 HydrophobicContact CD1-CD2 4.05Å; I748-L821 HydrophobicContact CG2-CD1 4.36Å; I748-L841 HydrophobicContact CD1-CD1 3.57Å; I748-L841 HydrophobicContact CD1-CD2 4.23Å; I748-M870 HydrophobicContact CG2-SD 4.23Å; I748-K871 WeakPolarHBondContact CA-O 3.28Å; I748-V872 HydrophobicContact CG1-CG1 4.26Å; I748-V872 HydrophobicContact CG1-CG2 4.19Å; I748-V872 HydrophobicContact CG2-CG2 4.24Å
749	E	96	Very high	82.6	Confident	39 Å²	39	57 Å²	57	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.6	-177.6	-61.4	170.7	145.7	0	0	109.7	T805 M870 K871 R873	E749-T805 HydrophobicContact CG-CG2 4.05Å; E749-M870 CarbonylContact O-C 3.52Å; E749-M870 VanDerWaalsContact O-CA 3.25Å; E749-M870 WeakPolarHBondContact O-CA 3.38Å; E749-K871 HydrophobicContact CB-CG 3.97Å; E749-K871 PolarHBondContact N-O 3.15Å; E749-K871 PolarHBondContact O-N 2.98Å; E749-K871 WeakPolarHBondContact OE2-CE 3.21Å; E749-R873 IonicContact OE1-CZ 3.12Å; E749-R873 IonicContact OE1-NH1 3.47Å; E749-R873 PolarHBondContact OE1-NH1 3.31Å; E749-R873 WeakPolarHBondContact OE2-CD 3.39Å; E749-R873 IonicContact OE2-CZ 3.93Å; E749-R873 IonicContact OE2-NE 3.71Å; E749-R873 PolarHBondContact OE2-NE 2.89Å; E749-R873 IonicContact OE2-NH1 2.66Å; E749-R873 PolarHBondContact OE2-NH1 3.27Å
750	F	97.8	Very high	84.4	Confident	11 Å²	11	52.4 Å²	52.4	5%	0.048	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.4	173.9	-57.6	-95.3	0	0	0	110.4	I748 I753 F769 S800 L803 L806 L821 F852 S869 M870	I748-F750 HydrophobicContact CG2-CE2 4.34Å; I748-F750 HydrophobicContact CG2-CZ 4.38Å; F750-I753 HydrophobicContact CD1-CD1 3.76Å; F750-I753 HydrophobicContact CD1-CG1 4.14Å; F750-I753 HydrophobicContact CE1-CD1 4.03Å; F750-I753 HydrophobicContact CG-CD1 4.31Å; F750-F769 HydrophobicContact CD2-CE1 4.47Å; F750-F769 AromaticContact CE1-CE1 3.99Å; F750-F769 HydrophobicContact CE1-CE1 3.99Å; F750-F769 HydrophobicContact CE2-CD1 4.08Å; F750-F769 AromaticContact CE2-CE1 3.71Å; F750-F769 HydrophobicContact CE2-CE1 3.71Å; F750-F769 HydrophobicContact CE2-CZ 4.32Å; F750-F769 AromaticContact CZ-CD1 3.78Å; F750-F769 HydrophobicContact CZ-CD1 3.78Å; F750-F769 AromaticContact CZ-CE1 3.44Å; F750-F769 HydrophobicContact CZ-CE1 3.44Å; F750-F769 VanDerWaalsContact CZ-CE1 3.44Å; F750-F769 HydrophobicContact CZ-CZ 4.4Å; F750-S800 WeakPolarHBondContact O-CB 3.46Å; F750-L803 HydrophobicContact CB-CB 4.09Å; F750-L803 HydrophobicContact CB-CD1 3.58Å; F750-L803 HydrophobicContact CB-CG 4.43Å; F750-L803 HydrophobicContact CG-CD1 4.43Å; F750-L806 HydrophobicContact CE2-CD1 3.85Å; F750-L806 HydrophobicContact CE2-CG 4.06Å; F750-L806 HydrophobicContact CZ-CD1 4.14Å; F750-L821 HydrophobicContact CZ-CD1 3.91Å; F750-F852 HydrophobicContact CD1-CE1 4.34Å; F750-F852 HydrophobicContact CE1-CE1 4.31Å; F750-S869 WeakPolarHBondContact CA-O 3.47Å; F750-M870 HydrophobicContact CD1-CB 3.79Å; F750-M870 HydrophobicContact CE1-CB 4.1Å; F750-M870 HydrophobicContact CE1-CE 3.76Å; F750-M870 HydrophobicContact CE1-SD 4.37Å; F750-M870 HydrophobicContact CG-CB 4.45Å
751	E	96.8	Very high	86.3	Confident	80 Å²	80	52.4 Å²	52.4	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-35.8	177.9	-57.7	179.5	152.9	0	0	111.5	S800 A849 S869 K871	E751-S800 WeakPolarHBondContact O-CB 3.37Å; E751-S800 PolarHBondContact O-N 3.48Å; E751-S800 VanDerWaalsContact O-N 3.11Å; E751-A849 HydrophobicContact CG-CB 4.28Å; E751-A849 WeakPolarHBondContact OE1-CB 3.42Å; E751-A849 WeakPolarHBondContact OE2-CB 3.43Å; E751-S869 PolarHBondContact N-O 3.42Å; E751-S869 PolarHBondContact OE2-OG 3.46Å; E751-K871 IonicContact OE1-NZ 2.75Å; E751-K871 PolarHBondContact OE1-NZ 3.06Å
752	S	97.6	Very high	87.8	Confident	58 Å²	58	52.5 Å²	52.5	41%	0.406	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	156	168	59.2	0	0	0	0	110.8	W798 G868 S869	S752-W798 WeakPolarHBondContact CA-O 3.4Å; S752-G868 CarbonylContact O-C 3.44Å; S752-G868 WeakPolarHBondContact O-CA 3.44Å; S752-S869 PolarHBondContact O-N 3.18Å
753	I	98.6	Very high	89.7	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.5	165.2	-67.2	177.5	0	0	0	108.4	F750 I767 F769 Q797 W798 L803 F852 I866 R867	F750-I753 HydrophobicContact CD1-CD1 3.76Å; F750-I753 HydrophobicContact CD1-CG1 4.14Å; F750-I753 HydrophobicContact CE1-CD1 4.03Å; F750-I753 HydrophobicContact CG-CD1 4.31Å; I753-I767 HydrophobicContact CB-CD1 4.25Å; I753-I767 HydrophobicContact CD1-CD1 3.86Å; I753-I767 HydrophobicContact CG2-CD1 3.68Å; I753-F769 HydrophobicContact CD1-CE1 4.1Å; I753-F769 HydrophobicContact CD1-CZ 4.07Å; I753-Q797 WeakPolarHBondContact O-CA 3.15Å; I753-W798 HydrophobicContact CB-CE3 4.22Å; I753-W798 HydrophobicContact CG2-CE3 3.9Å; I753-W798 HydrophobicContact CG2-CZ3 4.15Å; I753-W798 PolarHBondContact N-O 3.32Å; I753-W798 PolarHBondContact O-N 3.16Å; I753-L803 HydrophobicContact CB-CD1 4.11Å; I753-L803 HydrophobicContact CD1-CD1 4.08Å; I753-L803 HydrophobicContact CD1-CD2 3.94Å; I753-L803 HydrophobicContact CG1-CD1 3.78Å; I753-L803 HydrophobicContact CG1-CD2 4.4Å; I753-F852 HydrophobicContact CD1-CZ 4.25Å; I753-F852 HydrophobicContact CG1-CZ 4.12Å; I753-I866 HydrophobicContact CG2-CD1 3.79Å; I753-I866 HydrophobicContact CG2-CG1 3.75Å; I753-R867 CarbonylContact C-O 3.58Å; I753-R867 WeakPolarHBondContact CA-O 3.31Å
754	E	98.3	Very high	91.8	Very high	30 Å²	30	46.2 Å²	46.2	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.1	172.2	-177.8	-172	97.4	0	0	108.6	K795 V796 Q797 I866 R867	E754-K795 VanDerWaalsContact CD-NZ 3.34Å; E754-K795 HydrophobicContact CG-CG 4.42Å; E754-K795 WeakPolarHBondContact OE1-CE 3.26Å; E754-K795 IonicContact OE1-NZ 3.88Å; E754-K795 WeakPolarHBondContact OE2-CE 3.37Å; E754-K795 IonicContact OE2-NZ 2.7Å; E754-K795 PolarHBondContact OE2-NZ 3.11Å; E754-V796 CarbonylContact C-O 3.58Å; E754-V796 WeakPolarHBondContact CA-O 2.96Å; E754-Q797 HydrophobicContact CB-CG 4.22Å; E754-Q797 HydrophobicContact CG-CG 3.79Å; E754-I866 WeakPolarHBondContact O-CA 3.4Å; E754-R867 HydrophobicContact CB-CG 4.17Å; E754-R867 PolarHBondContact N-O 3.02Å; E754-R867 PolarHBondContact O-N 3.16Å; E754-R867 VanDerWaalsContact O-O 3.08Å; E754-R867 IonicContact OE1-CZ 2.71Å; E754-R867 IonicContact OE1-NE 3.56Å; E754-R867 PolarHBondContact OE1-NE 3.41Å; E754-R867 IonicContact OE1-NH2 2.77Å; E754-R867 PolarHBondContact OE1-NH2 3.04Å; E754-R867 IonicContact OE2-NH2 2.74Å
755	A	98	Very high	93.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.4	172.9	0	0	0	0	0	111.2	V757 K795 V796 W798 L856 N865 I866	A755-V757 HydrophobicContact CB-CG2 4.1Å; A755-K795 CarbonylContact O-C 3.6Å; A755-K795 WeakPolarHBondContact O-CA 3.14Å; A755-V796 HydrophobicContact CB-CG2 3.96Å; A755-V796 PolarHBondContact N-O 2.94Å; A755-V796 PolarHBondContact O-N 3.37Å; A755-W798 HydrophobicContact CB-CH2 4.31Å; A755-W798 HydrophobicContact CB-CZ3 3.93Å; A755-L856 HydrophobicContact CB-CD1 4.3Å; A755-N865 CarbonylContact C-O 3.57Å; A755-N865 VanDerWaalsContact CA-O 3.31Å; A755-N865 WeakPolarHBondContact CA-O 3.44Å; A755-I866 HydrophobicContact CB-CB 4.09Å; A755-I866 HydrophobicContact CB-CD1 4.32Å; A755-I866 HydrophobicContact CB-CG1 4.01Å
756	I	96.9	Very high	94.2	Very high	52 Å²	52	41 Å²	41	27%	0.267	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.8	167.1	-61	174.9	0	0	0	105.8	F793 K795 G864 N865	I756-F793 HydrophobicContact CG2-CB 4Å; I756-F793 HydrophobicContact CG2-CD1 3.96Å; I756-F793 HydrophobicContact CG2-CG 4.31Å; I756-K795 HydrophobicContact CG1-CG 4.16Å; I756-G864 WeakPolarHBondContact O-CA 3.49Å; I756-N865 PolarHBondContact N-O 2.78Å; I756-N865 PolarHBondContact O-N 3.23Å; I756-N865 VanDerWaalsContact O-N 3.07Å
757	V	96.5	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127	-171	-178.4	0	0	0	0	109.6	A755 T759 F765 F793 L794 V796 V825 Y834 L856	A755-V757 HydrophobicContact CB-CG2 4.1Å; V757-T759 PolarHBondContact O-N 3.32Å; V757-T759 VanDerWaalsContact O-N 3.17Å; V757-F765 HydrophobicContact CG1-CE1 4.25Å; V757-F765 HydrophobicContact CG1-CZ 4.27Å; V757-F793 CarbonylContact O-C 3.6Å; V757-F793 WeakPolarHBondContact O-CA 3.42Å; V757-L794 PolarHBondContact N-O 3.41Å; V757-L794 PolarHBondContact O-N 2.94Å; V757-V796 HydrophobicContact CG2-CG2 4.16Å; V757-V825 HydrophobicContact CG2-CG1 4.19Å; V757-Y834 HydrophobicContact CG1-CD1 4.04Å; V757-Y834 HydrophobicContact CG1-CG 4.2Å; V757-L856 HydrophobicContact CG2-CD1 4.19Å
758	K	94.1	Very high	94.8	Very high	107 Å²	107	38.4 Å²	38.4	47%	0.465	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	106.3	173.6	-175	-175.3	177	-170.5	0	109.6	N792 F793 T863	K758-N792 CarbonylContact C-O 3.6Å; K758-N792 WeakPolarHBondContact CA-O 3.47Å; K758-F793 HydrophobicContact CB-CD1 4.02Å; K758-F793 HydrophobicContact CB-CE1 3.71Å; K758-F793 HydrophobicContact CB-CZ 4.43Å; K758-F793 HydrophobicContact CG-CE1 4.15Å; K758-F793 HydrophobicContact CG-CZ 4.39Å; K758-T863 VanDerWaalsContact CB-O 3.25Å; K758-T863 WeakPolarHBondContact CB-O 3.25Å; K758-T863 PolarHBondContact N-O 3.26Å
759	T	92.3	Very high	94.9	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.086	20%	0.201	C	C	.	.			trans	-162.3	144.5	178.3	-175.8	0	0	0	0	110.6	V757 S761 F765 N792 L794	V757-T759 PolarHBondContact O-N 3.32Å; V757-T759 VanDerWaalsContact O-N 3.17Å; T759-S761 WeakPolarHBondContact CG2-O 3.23Å; T759-S761 PolarHBondContact OG1-N 3.2Å; T759-S761 PolarHBondContact OG1-O 3.38Å; T759-F765 HydrophobicContact CG2-CE2 4.5Å; T759-F765 HydrophobicContact CG2-CZ 4.25Å; T759-N792 PolarHBondContact N-O 2.89Å; T759-N792 CarbonylContact O-C 3.58Å; T759-N792 VanDerWaalsContact O-C 3.22Å; T759-L794 HydrophobicContact CG2-CB 3.61Å
760	A	87.4	Confident	94.9	Very high	84 Å²	84	37.5 Å²	37.5	69%	0.694	20%	0.196	S	C	*	.	S	Bend	trans	-87.3	-15	167.7	0	0	0	0	0	112.3
761	S	82	Confident	94.8	Very high	66 Å²	66	38 Å²	38	46%	0.462	20%	0.201	S	C	.	.	S	Bend	trans	-95.4	124.6	-175.7	-66.5	0	0	0	0	111.2	T759 T763	T759-S761 WeakPolarHBondContact CG2-O 3.23Å; T759-S761 PolarHBondContact OG1-N 3.2Å; T759-S761 PolarHBondContact OG1-O 3.38Å; S761-T763 PolarHBondContact O-N 2.7Å
762	R	83.8	Confident	94.4	Very high	169 Å²	169	38.7 Å²	38.7	64%	0.638	21%	0.211	S	C	*	.			trans	-79.3	42.5	178.3	-59.6	-176.4	68	167	2.3	112.9	L794	R762-L794 HydrophobicContact CG-CD1 4.34Å
763	T	91.2	Very high	94.1	Very high	20 Å²	20	35.9 Å²	35.9	12%	0.123	19%	0.191	C	C	.	.			trans	-75	169.9	-178.8	-165.5	0	0	0	0	112.4	S761 F765 L794 D829	S761-T763 PolarHBondContact O-N 2.7Å; T763-F765 HydrophobicContact CG2-CD2 4.18Å; T763-F765 HydrophobicContact CG2-CE1 4.26Å; T763-F765 HydrophobicContact CG2-CE2 3.43Å; T763-F765 VanDerWaalsContact CG2-CE2 3.43Å; T763-F765 HydrophobicContact CG2-CZ 3.49Å; T763-F765 VanDerWaalsContact CG2-CZ 3.49Å; T763-F765 WeakPolarHBondContact O-CD2 3.43Å; T763-F765 WeakPolarHBondContact O-CE2 3.13Å; T763-L794 WeakPolarHBondContact O-CD2 3.4Å; T763-D829 WeakPolarHBondContact CB-OD2 3.44Å; T763-D829 VanDerWaalsContact OG1-CG 3.24Å; T763-D829 PolarHBondContact OG1-OD2 2.96Å
764	K	95.9	Very high	93.8	Very high	58 Å²	58	36.8 Å²	36.8	25%	0.252	20%	0.196	S	C	.	.			trans	-90.7	149.3	175.1	-76.5	-73	-170.8	141	0	110.4	E782 N783 S827 M828	K764-E782 HydrophobicContact CB-CB 4.39Å; K764-E782 HydrophobicContact CD-CB 4.4Å; K764-E782 WeakPolarHBondContact CE-OE1 3.42Å; K764-E782 IonicContact NZ-OE1 3.88Å; K764-E782 PolarHBondContact NZ-OE1 2.83Å; K764-N783 WeakPolarHBondContact CA-OD1 3.29Å; K764-N783 VanDerWaalsContact CD-OD1 3.29Å; K764-N783 WeakPolarHBondContact CD-OD1 3.47Å; K764-N783 PolarHBondContact NZ-O 3.37Å; K764-S827 CarbonylContact O-C 3.57Å; K764-S827 WeakPolarHBondContact O-CA 3.45Å; K764-M828 HydrophobicContact CB-CB 3.97Å; K764-M828 HydrophobicContact CB-CG 3.69Å; K764-M828 WeakPolarHBondContact O-CG 3.41Å; K764-M828 PolarHBondContact O-N 2.95Å
765	F	97.9	Very high	93.3	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	-130.4	146.7	-175.2	-69.4	-92.1	0	0	0	112.3	V757 T759 T763 E782 N783 L794 V796 W798 V825 K826 Y834	V757-F765 HydrophobicContact CG1-CE1 4.25Å; V757-F765 HydrophobicContact CG1-CZ 4.27Å; T759-F765 HydrophobicContact CG2-CE2 4.5Å; T759-F765 HydrophobicContact CG2-CZ 4.25Å; T763-F765 HydrophobicContact CG2-CD2 4.18Å; T763-F765 HydrophobicContact CG2-CE1 4.26Å; T763-F765 HydrophobicContact CG2-CE2 3.43Å; T763-F765 VanDerWaalsContact CG2-CE2 3.43Å; T763-F765 HydrophobicContact CG2-CZ 3.49Å; T763-F765 VanDerWaalsContact CG2-CZ 3.49Å; T763-F765 WeakPolarHBondContact O-CD2 3.43Å; T763-F765 WeakPolarHBondContact O-CE2 3.13Å; F765-E782 CarbonylContact O-C 3.39Å; F765-E782 VanDerWaalsContact O-CA 3.3Å; F765-E782 WeakPolarHBondContact O-CA 3.25Å; F765-N783 PolarHBondContact N-OD1 3.1Å; F765-N783 PolarHBondContact O-N 3.44Å; F765-N783 PolarHBondContact O-OD1 3.33Å; F765-L794 HydrophobicContact CD2-CD2 4.19Å; F765-L794 HydrophobicContact CE2-CD2 3.76Å; F765-V796 HydrophobicContact CD2-CG1 3.94Å; F765-W798 HydrophobicContact CB-CH2 4.28Å; F765-W798 HydrophobicContact CB-CZ2 3.8Å; F765-W798 WeakPolarHBondContact O-CZ2 3.25Å; F765-W798 PolarHBondContact O-NE1 3.48Å; F765-W798 VanDerWaalsContact O-NE1 3.12Å; F765-V825 HydrophobicContact CB-CG1 4.14Å; F765-V825 HydrophobicContact CD1-CG1 3.86Å; F765-V825 HydrophobicContact CG-CG1 4.31Å; F765-K826 CarbonylContact C-O 3.55Å; F765-K826 VanDerWaalsContact CA-O 3.22Å; F765-K826 WeakPolarHBondContact CA-O 3.5Å; F765-K826 WeakPolarHBondContact CD1-O 3.11Å; F765-Y834 HydrophobicContact CE1-CD1 4.07Å; F765-Y834 AromaticContact CE1-CD2 3.69Å; F765-Y834 HydrophobicContact CE1-CD2 3.69Å; F765-Y834 HydrophobicContact CE1-CE2 4.17Å; F765-Y834 AromaticContact CE1-CG 3.63Å; F765-Y834 HydrophobicContact CE1-CG 3.63Å; F765-Y834 HydrophobicContact CZ-CD1 4.2Å; F765-Y834 HydrophobicContact CZ-CD2 4.44Å; F765-Y834 HydrophobicContact CZ-CE1 4.37Å; F765-Y834 HydrophobicContact CZ-CG 4.23Å
766	F	98.1	Very high	92.9	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	167.2	168.9	72	-80.1	0	0	0	110.3	E768 K779 K826 M828 Y831	F766-E768 HydrophobicContact CD2-CG 4.19Å; F766-E768 HydrophobicContact CE2-CG 3.65Å; F766-K779 HydrophobicContact CD2-CB 4.21Å; F766-K779 HydrophobicContact CE2-CB 4.46Å; F766-K826 HydrophobicContact CD1-CB 4.06Å; F766-K826 WeakPolarHBondContact CD1-O 3.25Å; F766-K826 HydrophobicContact CE1-CB 3.52Å; F766-K826 HydrophobicContact CE2-CB 4.16Å; F766-K826 HydrophobicContact CE2-CD 4.16Å; F766-K826 HydrophobicContact CZ-CB 3.58Å; F766-K826 HydrophobicContact CZ-CD 3.77Å; F766-K826 HydrophobicContact CZ-CG 4.33Å; F766-K826 PolarHBondContact N-O 2.82Å; F766-K826 PolarHBondContact O-N 3.49Å; F766-M828 HydrophobicContact CB-SD 4.11Å; F766-M828 HydrophobicContact CD1-CG 4.25Å; F766-M828 HydrophobicContact CD1-SD 3.53Å; F766-M828 VanDerWaalsContact CD1-SD 3.53Å; F766-M828 HydrophobicContact CE1-SD 4.3Å; F766-M828 HydrophobicContact CG-SD 4.13Å; F766-Y831 AromaticContact CE1-CD1 3.88Å; F766-Y831 HydrophobicContact CE1-CD1 3.88Å; F766-Y831 HydrophobicContact CE1-CE1 4.01Å; F766-Y831 HydrophobicContact CE1-CG 4.46Å; F766-Y831 AromaticContact CZ-CD1 3.61Å; F766-Y831 HydrophobicContact CZ-CD1 3.61Å; F766-Y831 AromaticContact CZ-CE1 3.87Å; F766-Y831 HydrophobicContact CZ-CE1 3.87Å; F766-Y831 HydrophobicContact CZ-CG 4.49Å
767	I	98.4	Very high	92.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.5	-179.1	-53.5	175.3	0	0	0	108.6	I753 F769 K779 S780 W798 L803 L823 T824 V825 I866	I753-I767 HydrophobicContact CB-CD1 4.25Å; I753-I767 HydrophobicContact CD1-CD1 3.86Å; I753-I767 HydrophobicContact CG2-CD1 3.68Å; I767-F769 HydrophobicContact CB-CE2 3.81Å; I767-F769 HydrophobicContact CB-CZ 3.89Å; I767-F769 HydrophobicContact CD1-CZ 4.44Å; I767-F769 HydrophobicContact CG2-CD1 4.41Å; I767-F769 HydrophobicContact CG2-CD2 4.2Å; I767-F769 HydrophobicContact CG2-CE1 3.95Å; I767-F769 HydrophobicContact CG2-CE2 3.7Å; I767-F769 HydrophobicContact CG2-CZ 3.55Å; I767-K779 CarbonylContact O-C 3.6Å; I767-K779 VanDerWaalsContact O-CA 3.26Å; I767-K779 WeakPolarHBondContact O-CA 3.48Å; I767-S780 PolarHBondContact N-OG 2.96Å; I767-S780 PolarHBondContact O-N 3.24Å; I767-W798 HydrophobicContact CD1-CD2 3.88Å; I767-W798 HydrophobicContact CD1-CE3 3.81Å; I767-W798 HydrophobicContact CD1-CH2 3.97Å; I767-W798 HydrophobicContact CD1-CZ2 4.04Å; I767-W798 HydrophobicContact CD1-CZ3 3.86Å; I767-W798 HydrophobicContact CG1-CD2 4.29Å; I767-W798 HydrophobicContact CG1-CE3 4.5Å; I767-W798 HydrophobicContact CG1-CH2 3.9Å; I767-W798 HydrophobicContact CG1-CZ2 3.66Å; I767-W798 HydrophobicContact CG1-CZ3 4.32Å; I767-L803 HydrophobicContact CD1-CD2 4.46Å; I767-L823 HydrophobicContact CG2-CB 4.22Å; I767-L823 HydrophobicContact CG2-CD2 4.08Å; I767-L823 HydrophobicContact CG2-CG 3.93Å; I767-T824 WeakPolarHBondContact CA-O 3.18Å; I767-V825 HydrophobicContact CG1-CG2 4.48Å; I767-I866 HydrophobicContact CD1-CD1 4.29Å
768	E	97.8	Very high	92.7	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.2	164.1	-60.9	171.6	166.8	0	0	110.7	F766 Y770 Y777 K778 K779 L823 T824 K826	F766-E768 HydrophobicContact CD2-CG 4.19Å; F766-E768 HydrophobicContact CE2-CG 3.65Å; E768-Y770 HydrophobicContact CB-CD2 4.17Å; E768-Y770 HydrophobicContact CB-CE2 3.56Å; E768-Y770 HydrophobicContact CG-CE2 4.49Å; E768-Y770 WeakPolarHBondContact OE2-CE2 3.2Å; E768-Y770 PolarHBondContact OE2-OH 3.18Å; E768-Y777 HydrophobicContact CB-CD2 4.28Å; E768-Y777 HydrophobicContact CG-CD2 4.36Å; E768-Y777 HydrophobicContact CG-CE2 4.24Å; E768-K778 CarbonylContact C-O 3.52Å; E768-K778 VanDerWaalsContact CA-O 3.3Å; E768-K778 WeakPolarHBondContact CA-O 3.45Å; E768-K779 HydrophobicContact CG-CB 4.23Å; E768-L823 WeakPolarHBondContact O-CA 3.46Å; E768-T824 HydrophobicContact CB-CG2 3.78Å; E768-T824 HydrophobicContact CG-CG2 4.48Å; E768-T824 PolarHBondContact N-O 3.3Å; E768-T824 PolarHBondContact O-N 3.25Å; E768-K826 HydrophobicContact CG-CD 4.36Å; E768-K826 IonicContact OE1-NZ 2.8Å; E768-K826 PolarHBondContact OE1-NZ 3.44Å; E768-K826 WeakPolarHBondContact OE2-CE 3.21Å; E768-K826 IonicContact OE2-NZ 3.77Å; E768-K826 PolarHBondContact OE2-NZ 2.94Å
769	F	97.5	Very high	92.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.1	-175.1	-57.4	-97.2	0	0	0	108.9	F750 I753 I767 Y777 K778 L803 P804 L806 L823	F750-F769 HydrophobicContact CD2-CE1 4.47Å; F750-F769 AromaticContact CE1-CE1 3.99Å; F750-F769 HydrophobicContact CE1-CE1 3.99Å; F750-F769 HydrophobicContact CE2-CD1 4.08Å; F750-F769 AromaticContact CE2-CE1 3.71Å; F750-F769 HydrophobicContact CE2-CE1 3.71Å; F750-F769 HydrophobicContact CE2-CZ 4.32Å; F750-F769 AromaticContact CZ-CD1 3.78Å; F750-F769 HydrophobicContact CZ-CD1 3.78Å; F750-F769 AromaticContact CZ-CE1 3.44Å; F750-F769 HydrophobicContact CZ-CE1 3.44Å; F750-F769 VanDerWaalsContact CZ-CE1 3.44Å; F750-F769 HydrophobicContact CZ-CZ 4.4Å; I753-F769 HydrophobicContact CD1-CE1 4.1Å; I753-F769 HydrophobicContact CD1-CZ 4.07Å; I767-F769 HydrophobicContact CB-CE2 3.81Å; I767-F769 HydrophobicContact CB-CZ 3.89Å; I767-F769 HydrophobicContact CD1-CZ 4.44Å; I767-F769 HydrophobicContact CG2-CD1 4.41Å; I767-F769 HydrophobicContact CG2-CD2 4.2Å; I767-F769 HydrophobicContact CG2-CE1 3.95Å; I767-F769 HydrophobicContact CG2-CE2 3.7Å; I767-F769 HydrophobicContact CG2-CZ 3.55Å; F769-Y777 WeakPolarHBondContact O-CA 3.32Å; F769-Y777 WeakPolarHBondContact O-CB 3.25Å; F769-K778 PolarHBondContact N-O 3.32Å; F769-K778 PolarHBondContact O-N 3.39Å; F769-L803 HydrophobicContact CZ-CD2 4.24Å; F769-P804 HydrophobicContact CD2-CG 3.83Å; F769-P804 HydrophobicContact CE2-CG 3.72Å; F769-P804 HydrophobicContact CZ-CG 4.47Å; F769-L806 HydrophobicContact CB-CD1 4.11Å; F769-L806 HydrophobicContact CB-CD2 4.06Å; F769-L806 HydrophobicContact CD1-CD1 4.21Å; F769-L806 HydrophobicContact CG-CD1 4.34Å; F769-L806 HydrophobicContact CG-CD2 4.25Å; F769-L823 HydrophobicContact CD1-CD1 3.81Å; F769-L823 HydrophobicContact CD1-CD2 4.28Å; F769-L823 HydrophobicContact CD1-CG 3.82Å; F769-L823 HydrophobicContact CE1-CD1 4.28Å; F769-L823 HydrophobicContact CE1-CD2 3.92Å; F769-L823 HydrophobicContact CE1-CG 3.96Å
770	Y	96.5	Very high	93.1	Very high	20 Å²	20	56.5 Å²	56.5	8%	0.078	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.9	178.7	-65.7	-100.5	0	0	0	110.2	L590 F593 E768 Y777 L822 T824	L590-Y770 HydrophobicContact CD2-CD1 3.86Å; L590-Y770 HydrophobicContact CD2-CG 4.03Å; F593-Y770 AromaticContact CE2-CD2 3.54Å; F593-Y770 HydrophobicContact CE2-CD2 3.54Å; F593-Y770 AromaticContact CE2-CE2 3.87Å; F593-Y770 HydrophobicContact CE2-CE2 3.87Å; F593-Y770 AromaticContact CE2-CG 3.96Å; F593-Y770 HydrophobicContact CE2-CG 3.96Å; F593-Y770 AromaticContact CZ-CD2 3.79Å; F593-Y770 HydrophobicContact CZ-CD2 3.79Å; F593-Y770 HydrophobicContact CZ-CE2 4.31Å; F593-Y770 HydrophobicContact CZ-CG 4.43Å; E768-Y770 HydrophobicContact CB-CD2 4.17Å; E768-Y770 HydrophobicContact CB-CE2 3.56Å; E768-Y770 HydrophobicContact CG-CE2 4.49Å; E768-Y770 WeakPolarHBondContact OE2-CE2 3.2Å; E768-Y770 PolarHBondContact OE2-OH 3.18Å; Y770-Y777 HydrophobicContact CD1-CG 4.18Å; Y770-Y777 HydrophobicContact CE1-CD1 4.25Å; Y770-Y777 AromaticContact CE1-CD2 3.98Å; Y770-Y777 HydrophobicContact CE1-CD2 3.98Å; Y770-Y777 AromaticContact CE1-CG 3.69Å; Y770-Y777 HydrophobicContact CE1-CG 3.69Å; Y770-Y777 HydrophobicContact CE2-CD2 4.13Å; Y770-Y777 AromaticContact CZ-CD2 3.68Å; Y770-Y777 AromaticContact CZ-CG 3.91Å; Y770-L822 PolarHBondContact N-O 3.17Å; Y770-L822 PolarHBondContact O-N 3.41Å; Y770-T824 HydrophobicContact CD2-CG2 4.47Å; Y770-T824 HydrophobicContact CE2-CG2 3.96Å
771	S	94.4	Very high	93.6	Very high	22 Å²	22	59.5 Å²	59.5	15%	0.154	28%	0.279	C	S	.	.			trans	-166.4	151.2	169.1	-171.2	0	0	0	0	110.7	C773 L774 H820	S771-C773 PolarHBondContact O-N 2.94Å; S771-C773 VanDerWaalsContact O-N 3.1Å; S771-C773 PolarHBondContact OG-N 3.38Å; S771-C773 PolarHBondContact OG-SG 2.93Å; S771-C773 VanDerWaalsContact OG-SG 3.37Å; S771-L774 PolarHBondContact O-N 3.46Å; S771-H820 VanDerWaalsContact CB-O 3.28Å; S771-H820 WeakPolarHBondContact CB-O 3.5Å; S771-H820 PolarHBondContact OG-O 3.04Å
772	T	90.1	Very high	94.4	Very high	94 Å²	94	59.9 Å²	59.9	58%	0.577	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.7	166.2	44.8	0	0	0	0	113.5	Q819	T772-Q819 PolarHBondContact OG1-OE1 2.67Å
773	C	90.9	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.4	179	83.2	0	0	0	0	115.5	S771 P808 I809 Y815 Q819	S771-C773 PolarHBondContact O-N 2.94Å; S771-C773 VanDerWaalsContact O-N 3.1Å; S771-C773 PolarHBondContact OG-N 3.38Å; S771-C773 PolarHBondContact OG-SG 2.93Å; S771-C773 VanDerWaalsContact OG-SG 3.37Å; C773-P808 CarbonylContact O-C 3.56Å; C773-P808 WeakPolarHBondContact O-CA 3.22Å; C773-I809 PolarHBondContact O-N 3.38Å; C773-Y815 VanDerWaalsContact CA-OH 3.23Å; C773-Y815 WeakPolarHBondContact CA-OH 3.44Å; C773-Y815 HydrophobicContact CB-CE1 3.95Å; C773-Y815 WeakPolarHBondContact CB-OH 3.46Å; C773-Q819 HydrophobicContact CB-CB 4.04Å; C773-Q819 HydrophobicContact CB-CG 3.6Å
774	L	91.3	Very high	95.3	Very high	20 Å²	20	54.3 Å²	54.3	11%	0.105	26%	0.255	C	S	.	.	S	Bend	trans	-112.2	146.9	179.9	-55.2	175.3	0	0	0	110.3	S771 E776 L806	S771-L774 PolarHBondContact O-N 3.46Å; L774-E776 VanDerWaalsContact C-N 3.27Å; L774-E776 WeakPolarHBondContact CB-O 3.12Å; L774-L806 HydrophobicContact CD1-CD1 4.36Å; L774-L806 HydrophobicContact CD2-CB 3.95Å
775	E	87.6	Confident	95.3	Very high	176 Å²	176	53.5 Å²	53.5	82%	0.822	26%	0.259	S	S	*	.	S	Bend	trans	-67.9	-31.7	175.1	-58.4	179.6	150.6	0	0	111.9	I809	E775-I809 HydrophobicContact CG-CG2 3.51Å
776	E	89.6	Confident	95.2	Very high	113 Å²	113	56.5 Å²	56.5	53%	0.528	27%	0.274	S	S	.	.	S	Bend	trans	-150.6	155.7	177.2	58.5	177.7	175.7	0	0	109.3	L774 K778	L774-E776 VanDerWaalsContact C-N 3.27Å; L774-E776 WeakPolarHBondContact CB-O 3.12Å; E776-K778 IonicContact OE1-NZ 3.85Å; E776-K778 PolarHBondContact OE1-NZ 2.96Å
777	Y	93.1	Very high	94.9	Very high	116 Å²	116	57.7 Å²	57.7	46%	0.455	28%	0.283	S	S	.	.			trans	-65.2	154.8	171.4	80.8	-74.1	0	0	0	111.1	E768 F769 Y770	E768-Y777 HydrophobicContact CB-CD2 4.28Å; E768-Y777 HydrophobicContact CG-CD2 4.36Å; E768-Y777 HydrophobicContact CG-CE2 4.24Å; F769-Y777 WeakPolarHBondContact O-CA 3.32Å; F769-Y777 WeakPolarHBondContact O-CB 3.25Å; Y770-Y777 HydrophobicContact CD1-CG 4.18Å; Y770-Y777 HydrophobicContact CE1-CD1 4.25Å; Y770-Y777 AromaticContact CE1-CD2 3.98Å; Y770-Y777 HydrophobicContact CE1-CD2 3.98Å; Y770-Y777 AromaticContact CE1-CG 3.69Å; Y770-Y777 HydrophobicContact CE1-CG 3.69Å; Y770-Y777 HydrophobicContact CE2-CD2 4.13Å; Y770-Y777 AromaticContact CZ-CD2 3.68Å; Y770-Y777 AromaticContact CZ-CG 3.91Å
778	K	96.6	Very high	94.4	Very high	74 Å²	74	59.9 Å²	59.9	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	157.1	176.4	-63.4	-62.1	179.4	-177.4	0	110.8	E768 F769 E776 P804 L806	E768-K778 CarbonylContact C-O 3.52Å; E768-K778 VanDerWaalsContact CA-O 3.3Å; E768-K778 WeakPolarHBondContact CA-O 3.45Å; F769-K778 PolarHBondContact N-O 3.32Å; F769-K778 PolarHBondContact O-N 3.39Å; E776-K778 IonicContact OE1-NZ 3.85Å; E776-K778 PolarHBondContact OE1-NZ 2.96Å; K778-P804 HydrophobicContact CB-CB 4.35Å; K778-P804 HydrophobicContact CB-CG 4.19Å; K778-L806 HydrophobicContact CB-CD2 3.65Å; K778-L806 HydrophobicContact CG-CD2 3.79Å
779	K	96.9	Very high	93.6	Very high	131 Å²	131	65.3 Å²	65.3	57%	0.57	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.2	172.2	65.9	178.9	-179.7	179.3	0	111.9	F766 I767 E768	F766-K779 HydrophobicContact CD2-CB 4.21Å; F766-K779 HydrophobicContact CE2-CB 4.46Å; I767-K779 CarbonylContact O-C 3.6Å; I767-K779 VanDerWaalsContact O-CA 3.26Å; I767-K779 WeakPolarHBondContact O-CA 3.48Å; E768-K779 HydrophobicContact CG-CB 4.23Å
780	S	98.1	Very high	92.9	Very high	7 Å²	7	69.2 Å²	69.2	5%	0.049	35%	0.348	C	S	.	.			trans	-79	171.1	164.3	73.9	0	0	0	0	111.3	I767 Q802	I767-S780 PolarHBondContact N-OG 2.96Å; I767-S780 PolarHBondContact O-N 3.24Å; S780-Q802 CarbonylContact C-O 3.52Å; S780-Q802 VanDerWaalsContact CA-O 3.32Å; S780-Q802 WeakPolarHBondContact CA-O 3.42Å; S780-Q802 VanDerWaalsContact CB-O 3.25Å; S780-Q802 WeakPolarHBondContact CB-O 3.41Å
781	F	97.9	Very high	92.1	Very high	147 Å²	147	75.2 Å²	75.2	65%	0.645	38%	0.38	S	S	*	.			trans	-76.7	-179.6	155.2	-62.5	-74.2	0	0	0	110.6	W798 Q802	F781-W798 PolarHBondContact O-NE1 3.22Å; F781-Q802 HydrophobicContact CB-CB 4.19Å; F781-Q802 PolarHBondContact N-O 3.13Å
782	E	97.6	Very high	92	Very high	75 Å²	75	78.7 Å²	78.7	35%	0.35	40%	0.397	S	S	.	.			trans	-65.4	160.9	176.2	60.7	160.7	-124.5	0	0	113.2	K764 F765 D784 Q802 M828	K764-E782 HydrophobicContact CB-CB 4.39Å; K764-E782 HydrophobicContact CD-CB 4.4Å; K764-E782 WeakPolarHBondContact CE-OE1 3.42Å; K764-E782 IonicContact NZ-OE1 3.88Å; K764-E782 PolarHBondContact NZ-OE1 2.83Å; F765-E782 CarbonylContact O-C 3.39Å; F765-E782 VanDerWaalsContact O-CA 3.3Å; F765-E782 WeakPolarHBondContact O-CA 3.25Å; E782-D784 PolarHBondContact O-N 3.16Å; E782-Q802 WeakPolarHBondContact O-CG 3.39Å; E782-M828 HydrophobicContact CB-CE 4.45Å; E782-M828 HydrophobicContact CB-CG 4.17Å; E782-M828 HydrophobicContact CB-SD 4.23Å
783	N	97.9	Very high	92.1	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	38%	0.38	C	S	.	.			trans	-66.4	124.7	177.1	66.5	-74.6	0	0	0	111.4	K764 F765 A785 Q786 V796 Q797 W798	K764-N783 WeakPolarHBondContact CA-OD1 3.29Å; K764-N783 VanDerWaalsContact CD-OD1 3.29Å; K764-N783 WeakPolarHBondContact CD-OD1 3.47Å; K764-N783 PolarHBondContact NZ-O 3.37Å; F765-N783 PolarHBondContact N-OD1 3.1Å; F765-N783 PolarHBondContact O-N 3.44Å; F765-N783 PolarHBondContact O-OD1 3.33Å; N783-A785 PolarHBondContact ND2-O 3.04Å; N783-Q786 PolarHBondContact ND2-OE1 3.25Å; N783-V796 HydrophobicContact CB-CB 4.04Å; N783-Q797 CarbonylContact C-O 3.53Å; N783-Q797 WeakPolarHBondContact CA-O 3.34Å; N783-Q797 VanDerWaalsContact CB-O 3.32Å; N783-Q797 WeakPolarHBondContact CB-O 3.43Å; N783-W798 HydrophobicContact CB-CD2 4.02Å; N783-W798 HydrophobicContact CB-CG 4.31Å; N783-W798 HydrophobicContact CB-CZ2 4.06Å
784	D	97	Very high	92.3	Very high	71 Å²	71	76.7 Å²	76.7	38%	0.38	38%	0.38	S	S	.	.	S	Bend	trans	-85	-11.4	-176.9	50.4	-6.3	0	0	0	114.5	E782 Q797 W798 S799 Q802	E782-D784 PolarHBondContact O-N 3.16Å; D784-Q797 PolarHBondContact N-O 3.01Å; D784-W798 WeakPolarHBondContact OD1-CA 3.36Å; D784-S799 PolarHBondContact OD1-N 3.28Å; D784-S799 VanDerWaalsContact OD2-CB 3.31Å; D784-S799 WeakPolarHBondContact OD2-CB 3.46Å; D784-S799 PolarHBondContact OD2-OG 3.01Å; D784-Q802 HydrophobicContact CB-CG 3.97Å; D784-Q802 VanDerWaalsContact CG-CG 3.43Å; D784-Q802 WeakPolarHBondContact OD2-CG 3.01Å; D784-Q802 PolarHBondContact OD2-NE2 2.91Å
785	A	96.3	Very high	92.6	Very high	41 Å²	41	78 Å²	78	34%	0.339	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.5	165.7	0	0	0	0	0	112.7	N783 Q797	N783-A785 PolarHBondContact ND2-O 3.04Å; A785-Q797 HydrophobicContact CB-CB 4.09Å; A785-Q797 PolarHBondContact N-O 2.93Å; A785-Q797 PolarHBondContact O-N 3.17Å
786	Q	95	Very high	93.1	Very high	64 Å²	64	69.6 Å²	69.6	30%	0.299	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	142.8	173	59.9	-163.5	38.1	0	0	113	N783 K795 V796	N783-Q786 PolarHBondContact ND2-OE1 3.25Å; Q786-K795 CarbonylContact C-O 3.57Å; Q786-K795 WeakPolarHBondContact CA-O 3.44Å; Q786-K795 WeakPolarHBondContact CB-O 3.38Å; Q786-V796 HydrophobicContact CB-CG1 4.14Å
787	S	93.3	Very high	93.5	Very high	31 Å²	31	67.1 Å²	67.1	22%	0.217	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	159.5	167.3	62.5	0	0	0	0	110.8	D789 L794 K795	S787-D789 WeakPolarHBondContact CB-OD2 3.09Å; S787-D789 PolarHBondContact OG-OD2 3.11Å; S787-L794 WeakPolarHBondContact O-CD1 3.21Å; S787-K795 PolarHBondContact N-O 2.96Å; S787-K795 PolarHBondContact O-N 3.42Å; S787-K795 WeakPolarHBondContact OG-CD 3.27Å
788	S	86.4	Confident	93.7	Very high	46 Å²	46	61.7 Å²	61.7	32%	0.322	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	81.9	175.5	176.4	0	0	0	0	106	N790	S788-N790 VanDerWaalsContact C-N 3.27Å; S788-N790 PolarHBondContact OG-O 3.32Å
789	D	81.9	Confident	93.8	Very high	123 Å²	123	59.8 Å²	59.8	66%	0.658	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	-9.5	-178.9	-46.4	-61.7	0	0	0	110.8	S787	S787-D789 WeakPolarHBondContact CB-OD2 3.09Å; S787-D789 PolarHBondContact OG-OD2 3.11Å
790	N	82.9	Confident	93.8	Very high	83 Å²	83	57 Å²	57	44%	0.444	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.7	169.6	-174.9	-58.3	0	0	0	108	S788 N792 F793	S788-N790 VanDerWaalsContact C-N 3.27Å; S788-N790 PolarHBondContact OG-O 3.32Å; N790-N792 VanDerWaalsContact C-N 3.34Å; N790-N792 PolarHBondContact O-N 3.07Å; N790-N792 PolarHBondContact OD1-N 3.31Å; N790-F793 HydrophobicContact CB-CB 4.35Å; N790-F793 VanDerWaalsContact O-O 3.13Å
791	I	80.2	Confident	93.7	Very high	145 Å²	145	66.9 Å²	66.9	74%	0.744	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.9	-176	-61.4	173.8	0	0	0	112.1
792	N	90.6	Very high	93.7	Very high	96 Å²	96	61.9 Å²	61.9	51%	0.513	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	2.2	-175.2	-65.7	-24.2	0	0	0	113.8	K758 T759 N790	K758-N792 CarbonylContact C-O 3.6Å; K758-N792 WeakPolarHBondContact CA-O 3.47Å; T759-N792 PolarHBondContact N-O 2.89Å; T759-N792 CarbonylContact O-C 3.58Å; T759-N792 VanDerWaalsContact O-C 3.22Å; N790-N792 VanDerWaalsContact C-N 3.34Å; N790-N792 PolarHBondContact O-N 3.07Å; N790-N792 PolarHBondContact OD1-N 3.31Å
793	F	93.3	Very high	93.7	Very high	49 Å²	49	59 Å²	59	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.1	-179.8	-68.8	-88.6	0	0	0	111.2	I756 V757 K758 N790 L989	I756-F793 HydrophobicContact CG2-CB 4Å; I756-F793 HydrophobicContact CG2-CD1 3.96Å; I756-F793 HydrophobicContact CG2-CG 4.31Å; V757-F793 CarbonylContact O-C 3.6Å; V757-F793 WeakPolarHBondContact O-CA 3.42Å; K758-F793 HydrophobicContact CB-CD1 4.02Å; K758-F793 HydrophobicContact CB-CE1 3.71Å; K758-F793 HydrophobicContact CB-CZ 4.43Å; K758-F793 HydrophobicContact CG-CE1 4.15Å; K758-F793 HydrophobicContact CG-CZ 4.39Å; N790-F793 HydrophobicContact CB-CB 4.35Å; N790-F793 VanDerWaalsContact O-O 3.13Å; F793-L989 HydrophobicContact CE2-CD1 4.39Å; F793-L989 HydrophobicContact CZ-CD1 4.44Å
794	L	95.7	Very high	93.7	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.4	171.5	-167.3	73.2	0	0	0	109.5	V757 T759 R762 T763 F765 S787 V796	V757-L794 PolarHBondContact N-O 3.41Å; V757-L794 PolarHBondContact O-N 2.94Å; T759-L794 HydrophobicContact CG2-CB 3.61Å; R762-L794 HydrophobicContact CG-CD1 4.34Å; T763-L794 WeakPolarHBondContact O-CD2 3.4Å; F765-L794 HydrophobicContact CD2-CD2 4.19Å; F765-L794 HydrophobicContact CE2-CD2 3.76Å; S787-L794 WeakPolarHBondContact O-CD1 3.21Å; L794-V796 HydrophobicContact CD2-CG1 3.58Å; L794-V796 HydrophobicContact CG-CG1 3.85Å
795	K	96.8	Very high	93.7	Very high	48 Å²	48	60.4 Å²	60.4	21%	0.209	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.9	173.2	-174.6	-174.6	-174.1	-146.5	0	108.8	E754 A755 I756 Q786 S787	E754-K795 VanDerWaalsContact CD-NZ 3.34Å; E754-K795 HydrophobicContact CG-CG 4.42Å; E754-K795 WeakPolarHBondContact OE1-CE 3.26Å; E754-K795 IonicContact OE1-NZ 3.88Å; E754-K795 WeakPolarHBondContact OE2-CE 3.37Å; E754-K795 IonicContact OE2-NZ 2.7Å; E754-K795 PolarHBondContact OE2-NZ 3.11Å; A755-K795 CarbonylContact O-C 3.6Å; A755-K795 WeakPolarHBondContact O-CA 3.14Å; I756-K795 HydrophobicContact CG1-CG 4.16Å; Q786-K795 CarbonylContact C-O 3.57Å; Q786-K795 WeakPolarHBondContact CA-O 3.44Å; Q786-K795 WeakPolarHBondContact CB-O 3.38Å; S787-K795 PolarHBondContact N-O 2.96Å; S787-K795 PolarHBondContact O-N 3.42Å; S787-K795 WeakPolarHBondContact OG-CD 3.27Å
796	V	97.4	Very high	93.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.1	-174.8	-68.3	0	0	0	0	111.5	E754 A755 V757 F765 N783 Q786 L794 W798	E754-V796 CarbonylContact C-O 3.58Å; E754-V796 WeakPolarHBondContact CA-O 2.96Å; A755-V796 HydrophobicContact CB-CG2 3.96Å; A755-V796 PolarHBondContact N-O 2.94Å; A755-V796 PolarHBondContact O-N 3.37Å; V757-V796 HydrophobicContact CG2-CG2 4.16Å; F765-V796 HydrophobicContact CD2-CG1 3.94Å; N783-V796 HydrophobicContact CB-CB 4.04Å; Q786-V796 HydrophobicContact CB-CG1 4.14Å; L794-V796 HydrophobicContact CD2-CG1 3.58Å; L794-V796 HydrophobicContact CG-CG1 3.85Å; V796-W798 HydrophobicContact CB-CH2 4.19Å; V796-W798 HydrophobicContact CB-CZ3 4.3Å; V796-W798 HydrophobicContact CG2-CH2 3.43Å; V796-W798 VanDerWaalsContact CG2-CH2 3.43Å; V796-W798 HydrophobicContact CG2-CZ2 4.32Å; V796-W798 HydrophobicContact CG2-CZ3 3.66Å
797	Q	98.1	Very high	93.7	Very high	61 Å²	61	60.9 Å²	60.9	29%	0.285	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.5	-170.6	-70.7	153.2	55.5	0	0	110.5	I753 E754 N783 D784 A785	I753-Q797 WeakPolarHBondContact O-CA 3.15Å; E754-Q797 HydrophobicContact CB-CG 4.22Å; E754-Q797 HydrophobicContact CG-CG 3.79Å; N783-Q797 CarbonylContact C-O 3.53Å; N783-Q797 WeakPolarHBondContact CA-O 3.34Å; N783-Q797 VanDerWaalsContact CB-O 3.32Å; N783-Q797 WeakPolarHBondContact CB-O 3.43Å; D784-Q797 PolarHBondContact N-O 3.01Å; A785-Q797 HydrophobicContact CB-CB 4.09Å; A785-Q797 PolarHBondContact N-O 2.93Å; A785-Q797 PolarHBondContact O-N 3.17Å
798	W	98.6	Very high	93.7	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.2	174.1	-61.7	-98.6	0	0	0	109.3	S752 I753 A755 F765 I767 F781 N783 D784 V796 Q802 L803 V825	S752-W798 WeakPolarHBondContact CA-O 3.4Å; I753-W798 HydrophobicContact CB-CE3 4.22Å; I753-W798 HydrophobicContact CG2-CE3 3.9Å; I753-W798 HydrophobicContact CG2-CZ3 4.15Å; I753-W798 PolarHBondContact N-O 3.32Å; I753-W798 PolarHBondContact O-N 3.16Å; A755-W798 HydrophobicContact CB-CH2 4.31Å; A755-W798 HydrophobicContact CB-CZ3 3.93Å; F765-W798 HydrophobicContact CB-CH2 4.28Å; F765-W798 HydrophobicContact CB-CZ2 3.8Å; F765-W798 WeakPolarHBondContact O-CZ2 3.25Å; F765-W798 PolarHBondContact O-NE1 3.48Å; F765-W798 VanDerWaalsContact O-NE1 3.12Å; I767-W798 HydrophobicContact CD1-CD2 3.88Å; I767-W798 HydrophobicContact CD1-CE3 3.81Å; I767-W798 HydrophobicContact CD1-CH2 3.97Å; I767-W798 HydrophobicContact CD1-CZ2 4.04Å; I767-W798 HydrophobicContact CD1-CZ3 3.86Å; I767-W798 HydrophobicContact CG1-CD2 4.29Å; I767-W798 HydrophobicContact CG1-CE3 4.5Å; I767-W798 HydrophobicContact CG1-CH2 3.9Å; I767-W798 HydrophobicContact CG1-CZ2 3.66Å; I767-W798 HydrophobicContact CG1-CZ3 4.32Å; F781-W798 PolarHBondContact O-NE1 3.22Å; N783-W798 HydrophobicContact CB-CD2 4.02Å; N783-W798 HydrophobicContact CB-CG 4.31Å; N783-W798 HydrophobicContact CB-CZ2 4.06Å; D784-W798 WeakPolarHBondContact OD1-CA 3.36Å; V796-W798 HydrophobicContact CB-CH2 4.19Å; V796-W798 HydrophobicContact CB-CZ3 4.3Å; V796-W798 HydrophobicContact CG2-CH2 3.43Å; V796-W798 VanDerWaalsContact CG2-CH2 3.43Å; V796-W798 HydrophobicContact CG2-CZ2 4.32Å; V796-W798 HydrophobicContact CG2-CZ3 3.66Å; W798-Q802 HydrophobicContact CB-CB 4.21Å; W798-L803 HydrophobicContact CB-CD1 4.17Å; W798-L803 HydrophobicContact CB-CD2 3.68Å; W798-L803 HydrophobicContact CB-CG 3.88Å; W798-L803 HydrophobicContact CG-CD2 4.1Å; W798-V825 HydrophobicContact CH2-CG1 4.03Å; W798-V825 HydrophobicContact CZ2-CG1 4.47Å
799	S	97.8	Very high	93.7	Very high	34 Å²	34	61.4 Å²	61.4	24%	0.238	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	163.7	166.9	77.2	0	0	0	0	111.7	D784 R801 Q802	D784-S799 PolarHBondContact OD1-N 3.28Å; D784-S799 VanDerWaalsContact OD2-CB 3.31Å; D784-S799 WeakPolarHBondContact OD2-CB 3.46Å; D784-S799 PolarHBondContact OD2-OG 3.01Å; S799-R801 PolarHBondContact O-N 2.8Å; S799-R801 PolarHBondContact OG-N 3.49Å; S799-Q802 PolarHBondContact O-N 3.05Å
800	S	96.6	Very high	93.9	Very high	72 Å²	72	56.4 Å²	56.4	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-13.5	173.5	59.3	0	0	0	0	115.5	F750 E751	F750-S800 WeakPolarHBondContact O-CB 3.46Å; E751-S800 WeakPolarHBondContact O-CB 3.37Å; E751-S800 PolarHBondContact O-N 3.48Å; E751-S800 VanDerWaalsContact O-N 3.11Å
801	R	96.7	Very high	94	Very high	214 Å²	214	53 Å²	53	81%	0.808	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-27.6	173.8	-62.1	-178.3	-179.9	-179	0.4	113.1	S799	S799-R801 PolarHBondContact O-N 2.8Å; S799-R801 PolarHBondContact OG-N 3.49Å
802	Q	97.7	Very high	94.2	Very high	42 Å²	42	48.5 Å²	48.5	20%	0.196	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-18.1	179.7	-45.4	-51.8	-21.2	0	0	112.3	S780 F781 E782 D784 W798 S799	S780-Q802 CarbonylContact C-O 3.52Å; S780-Q802 VanDerWaalsContact CA-O 3.32Å; S780-Q802 WeakPolarHBondContact CA-O 3.42Å; S780-Q802 VanDerWaalsContact CB-O 3.25Å; S780-Q802 WeakPolarHBondContact CB-O 3.41Å; F781-Q802 HydrophobicContact CB-CB 4.19Å; F781-Q802 PolarHBondContact N-O 3.13Å; E782-Q802 WeakPolarHBondContact O-CG 3.39Å; D784-Q802 HydrophobicContact CB-CG 3.97Å; D784-Q802 VanDerWaalsContact CG-CG 3.43Å; D784-Q802 WeakPolarHBondContact OD2-CG 3.01Å; D784-Q802 PolarHBondContact OD2-NE2 2.91Å; W798-Q802 HydrophobicContact CB-CB 4.21Å; S799-Q802 PolarHBondContact O-N 3.05Å
803	L	98.2	Very high	93.8	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.084	22%	0.224	C	C	.	.	S	Bend	trans	-97.5	137	-169.5	-62.4	174.1	0	0	0	112.1	F750 I753 I767 F769 W798	F750-L803 HydrophobicContact CB-CB 4.09Å; F750-L803 HydrophobicContact CB-CD1 3.58Å; F750-L803 HydrophobicContact CB-CG 4.43Å; F750-L803 HydrophobicContact CG-CD1 4.43Å; I753-L803 HydrophobicContact CB-CD1 4.11Å; I753-L803 HydrophobicContact CD1-CD1 4.08Å; I753-L803 HydrophobicContact CD1-CD2 3.94Å; I753-L803 HydrophobicContact CG1-CD1 3.78Å; I753-L803 HydrophobicContact CG1-CD2 4.4Å; I767-L803 HydrophobicContact CD1-CD2 4.46Å; F769-L803 HydrophobicContact CZ-CD2 4.24Å; W798-L803 HydrophobicContact CB-CD1 4.17Å; W798-L803 HydrophobicContact CB-CD2 3.68Å; W798-L803 HydrophobicContact CB-CG 3.88Å; W798-L803 HydrophobicContact CG-CD2 4.1Å
804	P	97.6	Very high	93.1	Very high	26 Å²	26	45.7 Å²	45.7	17%	0.169	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-76.1	150.3	-179.6	32.5	-35.2	0	0	0	111.5	F769 K778 L806	F769-P804 HydrophobicContact CD2-CG 3.83Å; F769-P804 HydrophobicContact CE2-CG 3.72Å; F769-P804 HydrophobicContact CZ-CG 4.47Å; K778-P804 HydrophobicContact CB-CB 4.35Å; K778-P804 HydrophobicContact CB-CG 4.19Å; P804-L806 HydrophobicContact CB-CD2 4.29Å; P804-L806 HydrophobicContact CG-CD2 3.9Å
805	T	96.7	Very high	92.6	Very high	74 Å²	74	46.4 Å²	46.4	45%	0.454	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-84.1	118.4	160.8	-57.8	0	0	0	0	108.7	Y747 I748 E749	Y747-T805 HydrophobicContact CD1-CG2 4Å; Y747-T805 HydrophobicContact CG-CG2 4.38Å; I748-T805 WeakPolarHBondContact O-CA 3.07Å; E749-T805 HydrophobicContact CG-CG2 4.05Å
806	L	97.1	Very high	92.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-85.6	148.1	178.2	-41.9	174.8	0	0	0	110	Y747 I748 F750 F769 L774 K778 P804 L821	Y747-L806 WeakPolarHBondContact CA-O 3.49Å; I748-L806 HydrophobicContact CB-CB 4.01Å; I748-L806 HydrophobicContact CB-CD1 4.38Å; I748-L806 HydrophobicContact CB-CG 4.4Å; I748-L806 HydrophobicContact CD1-CB 4.3Å; I748-L806 HydrophobicContact CD1-CD1 4.26Å; I748-L806 HydrophobicContact CG1-CB 4.35Å; I748-L806 PolarHBondContact N-O 3.48Å; I748-L806 PolarHBondContact O-N 3.32Å; F750-L806 HydrophobicContact CE2-CD1 3.85Å; F750-L806 HydrophobicContact CE2-CG 4.06Å; F750-L806 HydrophobicContact CZ-CD1 4.14Å; F769-L806 HydrophobicContact CB-CD1 4.11Å; F769-L806 HydrophobicContact CB-CD2 4.06Å; F769-L806 HydrophobicContact CD1-CD1 4.21Å; F769-L806 HydrophobicContact CG-CD1 4.34Å; F769-L806 HydrophobicContact CG-CD2 4.25Å; L774-L806 HydrophobicContact CD1-CD1 4.36Å; L774-L806 HydrophobicContact CD2-CB 3.95Å; K778-L806 HydrophobicContact CB-CD2 3.65Å; K778-L806 HydrophobicContact CG-CD2 3.79Å; P804-L806 HydrophobicContact CB-CD2 4.29Å; P804-L806 HydrophobicContact CG-CD2 3.9Å; L806-L821 HydrophobicContact CD1-CD1 3.78Å; L806-L821 HydrophobicContact CD1-CD2 4.05Å
807	K	94.5	Very high	91.8	Very high	115 Å²	115	46.3 Å²	46.3	50%	0.5	23%	0.231	S	C	.	.			trans	-122.7	99.8	-177.2	-62.5	-176.8	179.6	-174	0	109.7	Y747	Y747-K807 HydrophobicContact CD1-CG 4.02Å; Y747-K807 HydrophobicContact CE1-CD 4.27Å; Y747-K807 HydrophobicContact CE1-CG 3.94Å
808	P	91.9	Very high	91.4	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.026	23%	0.225	C	C	.	.			trans	-64.5	145.4	175.4	-25.5	36.8	0	0	0	113	A746 I748 C773 L810 L816	A746-P808 WeakPolarHBondContact O-CD 3.22Å; I748-P808 HydrophobicContact CD1-CG 3.98Å; I748-P808 HydrophobicContact CG1-CG 3.92Å; C773-P808 CarbonylContact O-C 3.56Å; C773-P808 WeakPolarHBondContact O-CA 3.22Å; P808-L810 PolarHBondContact O-N 2.91Å; P808-L816 HydrophobicContact CB-CD2 3.53Å; P808-L816 HydrophobicContact CG-CD2 3.74Å
809	I	88	Confident	91.1	Very high	83 Å²	83	45.2 Å²	45.2	43%	0.426	23%	0.227	S	C	.	.	S	Bend	trans	-64.3	-21.6	179.6	58.8	173	0	0	0	114	C773 E775 Y815	C773-I809 PolarHBondContact O-N 3.38Å; E775-I809 HydrophobicContact CG-CG2 3.51Å; I809-Y815 WeakPolarHBondContact CD1-OH 3.41Å; I809-Y815 HydrophobicContact CG1-CE1 4.23Å; I809-Y815 WeakPolarHBondContact CG1-OH 3.48Å
810	L	84.7	Confident	91.1	Very high	18 Å²	18	44.5 Å²	44.5	9%	0.094	22%	0.22	C	C	.	.			trans	-137.2	143.7	177.1	-64.1	172	0	0	0	109.7	F733 P808 Y815	F733-L810 HydrophobicContact CB-CD1 3.51Å; F733-L810 HydrophobicContact CG-CD1 4.44Å; P808-L810 PolarHBondContact O-N 2.91Å; L810-Y815 HydrophobicContact CB-CD1 3.6Å; L810-Y815 HydrophobicContact CB-CE1 3.8Å; L810-Y815 HydrophobicContact CB-CG 4.24Å; L810-Y815 HydrophobicContact CD1-CD1 4.2Å; L810-Y815 HydrophobicContact CD1-CD2 4.27Å; L810-Y815 HydrophobicContact CD1-CE1 4.28Å; L810-Y815 HydrophobicContact CD1-CE2 4.35Å; L810-Y815 HydrophobicContact CD1-CG 4.15Å; L810-Y815 HydrophobicContact CG-CD1 4.45Å; L810-Y815 HydrophobicContact CG-CE1 4.4Å
811	A	86.3	Confident	91.1	Very high	12 Å²	12	41 Å²	41	10%	0.099	20%	0.196	C	C	.	.			trans	-100	1.1	-179.1	0	0	0	0	0	114.2	D744 A746 I813 V874	D744-A811 WeakPolarHBondContact O-CB 3.3Å; A746-A811 HydrophobicContact CB-CB 3.76Å; A811-I813 PolarHBondContact O-N 2.98Å; A811-V874 WeakPolarHBondContact O-CG1 3.44Å
812	D	82.9	Confident	91.2	Very high	50 Å²	50	31.2 Å²	31.2	27%	0.267	16%	0.159	S	C	.	.			trans	-70.4	129.8	-177.7	-69.2	-70.1	0	0	0	111.4	E814 Y815 L816 R878	D812-E814 VanDerWaalsContact C-N 3.3Å; D812-E814 PolarHBondContact O-N 3.44Å; D812-Y815 WeakPolarHBondContact O-CB 3.31Å; D812-Y815 PolarHBondContact O-N 2.72Å; D812-Y815 VanDerWaalsContact O-N 3.13Å; D812-L816 PolarHBondContact O-N 3.01Å; D812-R878 WeakPolarHBondContact OD1-CD 3Å; D812-R878 IonicContact OD1-CZ 2.72Å; D812-R878 IonicContact OD1-NE 3.72Å; D812-R878 IonicContact OD1-NH1 2.67Å; D812-R878 PolarHBondContact OD1-NH1 3.04Å; D812-R878 IonicContact OD2-NH1 2.92Å; D812-R878 PolarHBondContact OD2-NH1 2.74Å
813	I	83.7	Confident	91.2	Very high	21 Å²	21	29.3 Å²	29.3	11%	0.108	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-43	-174.3	-61.3	-178.4	0	0	0	111.1	A811 Y815 L816 Q817 I845 V874 R878 L879 T881	A811-I813 PolarHBondContact O-N 2.98Å; I813-Y815 VanDerWaalsContact C-N 3.26Å; I813-Y815 PolarHBondContact O-N 2.96Å; I813-L816 PolarHBondContact O-N 3.1Å; I813-Q817 HydrophobicContact CG2-CG 4.07Å; I813-Q817 WeakPolarHBondContact O-CB 3.45Å; I813-Q817 VanDerWaalsContact O-CG 3.31Å; I813-Q817 WeakPolarHBondContact O-CG 3.42Å; I813-Q817 PolarHBondContact O-N 2.93Å; I813-I845 HydrophobicContact CG2-CD1 4.32Å; I813-V874 HydrophobicContact CD1-CG1 4.38Å; I813-V874 HydrophobicContact CG1-CB 4.42Å; I813-V874 HydrophobicContact CG1-CG1 3.81Å; I813-V874 HydrophobicContact CG1-CG2 4.46Å; I813-R878 WeakPolarHBondContact CD1-O 3.3Å; I813-L879 HydrophobicContact CD1-CD2 4.21Å; I813-T881 HydrophobicContact CB-CG2 4.38Å; I813-T881 HydrophobicContact CG2-CG2 3.86Å
814	E	78.8	Confident	91.2	Very high	66 Å²	66	28.5 Å²	28.5	31%	0.308	15%	0.146	S	C	.	.	H	α-helix	trans	-57.3	-38.6	179.4	-60.4	-176.1	164.8	0	0	112.7	F733 D812 T881 R882 R884	F733-E814 HydrophobicContact CE1-CB 4.44Å; F733-E814 HydrophobicContact CZ-CB 4.4Å; D812-E814 VanDerWaalsContact C-N 3.3Å; D812-E814 PolarHBondContact O-N 3.44Å; E814-T881 HydrophobicContact CG-CG2 4.48Å; E814-T881 WeakPolarHBondContact OE1-CA 3.37Å; E814-R882 WeakPolarHBondContact OE1-CB 3.44Å; E814-R882 PolarHBondContact OE1-N 2.95Å; E814-R884 PolarHBondContact O-NH2 2.84Å
815	Y	84.7	Confident	91.2	Very high	16 Å²	16	27.3 Å²	27.3	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-70.5	-50.3	175.7	170.1	-109	0	0	0	111.4	F733 C773 I809 L810 D812 I813 Q817 D818 Q819	F733-Y815 HydrophobicContact CB-CD2 3.86Å; F733-Y815 HydrophobicContact CB-CE2 4.28Å; F733-Y815 HydrophobicContact CD1-CD2 4.28Å; F733-Y815 HydrophobicContact CD1-CG 4.45Å; F733-Y815 AromaticContact CD2-CD2 3.46Å; F733-Y815 HydrophobicContact CD2-CD2 3.46Å; F733-Y815 VanDerWaalsContact CD2-CD2 3.46Å; F733-Y815 HydrophobicContact CD2-CE2 4.26Å; F733-Y815 HydrophobicContact CD2-CG 4.32Å; F733-Y815 AromaticContact CE2-CD2 3.97Å; F733-Y815 HydrophobicContact CE2-CD2 3.97Å; F733-Y815 AromaticContact CG-CD2 3.62Å; F733-Y815 HydrophobicContact CG-CD2 3.62Å; F733-Y815 HydrophobicContact CG-CE2 4.45Å; F733-Y815 HydrophobicContact CG-CG 4.21Å; C773-Y815 VanDerWaalsContact CA-OH 3.23Å; C773-Y815 WeakPolarHBondContact CA-OH 3.44Å; C773-Y815 HydrophobicContact CB-CE1 3.95Å; C773-Y815 WeakPolarHBondContact CB-OH 3.46Å; I809-Y815 WeakPolarHBondContact CD1-OH 3.41Å; I809-Y815 HydrophobicContact CG1-CE1 4.23Å; I809-Y815 WeakPolarHBondContact CG1-OH 3.48Å; L810-Y815 HydrophobicContact CB-CD1 3.6Å; L810-Y815 HydrophobicContact CB-CE1 3.8Å; L810-Y815 HydrophobicContact CB-CG 4.24Å; L810-Y815 HydrophobicContact CD1-CD1 4.2Å; L810-Y815 HydrophobicContact CD1-CD2 4.27Å; L810-Y815 HydrophobicContact CD1-CE1 4.28Å; L810-Y815 HydrophobicContact CD1-CE2 4.35Å; L810-Y815 HydrophobicContact CD1-CG 4.15Å; L810-Y815 HydrophobicContact CG-CD1 4.45Å; L810-Y815 HydrophobicContact CG-CE1 4.4Å; D812-Y815 WeakPolarHBondContact O-CB 3.31Å; D812-Y815 PolarHBondContact O-N 2.72Å; D812-Y815 VanDerWaalsContact O-N 3.13Å; I813-Y815 VanDerWaalsContact C-N 3.26Å; I813-Y815 PolarHBondContact O-N 2.96Å; Y815-Q817 VanDerWaalsContact C-N 3.28Å; Y815-Q817 PolarHBondContact O-N 3.04Å; Y815-D818 PolarHBondContact O-N 3.21Å; Y815-Q819 HydrophobicContact CD1-CG 4.34Å; Y815-Q819 HydrophobicContact CE1-CG 4.04Å; Y815-Q819 HydrophobicContact CE2-CG 4.32Å; Y815-Q819 VanDerWaalsContact CE2-NE2 3.3Å; Y815-Q819 WeakPolarHBondContact O-CG 3.14Å; Y815-Q819 PolarHBondContact O-NE2 2.65Å
816	L	89.4	Confident	91.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-31.5	-175.5	-68.8	172.3	0	0	0	112.6	A746 P808 D812 I813 D818 Q819 L841 I845 V872 V874	A746-L816 HydrophobicContact CB-CD1 3.81Å; P808-L816 HydrophobicContact CB-CD2 3.53Å; P808-L816 HydrophobicContact CG-CD2 3.74Å; D812-L816 PolarHBondContact O-N 3.01Å; I813-L816 PolarHBondContact O-N 3.1Å; L816-D818 PolarHBondContact O-N 3.05Å; L816-Q819 PolarHBondContact O-N 3.06Å; L816-L841 WeakPolarHBondContact O-CB 3.21Å; L816-I845 HydrophobicContact CB-CD1 3.64Å; L816-V872 HydrophobicContact CD1-CG1 4.11Å; L816-V874 HydrophobicContact CD1-CG2 3.61Å
817	Q	88.5	Confident	91.1	Very high	47 Å²	47	25.1 Å²	25.1	22%	0.22	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.1	174.3	-75.1	178.4	-28.4	0	0	113.5	I813 Y815 K842 I845	I813-Q817 HydrophobicContact CG2-CG 4.07Å; I813-Q817 WeakPolarHBondContact O-CB 3.45Å; I813-Q817 VanDerWaalsContact O-CG 3.31Å; I813-Q817 WeakPolarHBondContact O-CG 3.42Å; I813-Q817 PolarHBondContact O-N 2.93Å; Y815-Q817 VanDerWaalsContact C-N 3.28Å; Y815-Q817 PolarHBondContact O-N 3.04Å; Q817-K842 HydrophobicContact CB-CG 4.33Å; Q817-K842 VanDerWaalsContact O-CB 3.32Å; Q817-K842 WeakPolarHBondContact O-CB 3.33Å; Q817-I845 HydrophobicContact CB-CD1 4.49Å; Q817-I845 HydrophobicContact CG-CD1 3.6Å; Q817-I845 HydrophobicContact CG-CG1 4.49Å
818	D	88.8	Confident	91.1	Very high	28 Å²	28	23 Å²	23	15%	0.15	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.4	-179.8	-76.8	-19.2	0	0	0	114.4	T730 Y815 L816 R884	T730-D818 HydrophobicContact CG2-CB 3.67Å; Y815-D818 PolarHBondContact O-N 3.21Å; L816-D818 PolarHBondContact O-N 3.05Å; D818-R884 IonicContact OD1-CZ 2.72Å; D818-R884 IonicContact OD1-NH1 3Å; D818-R884 PolarHBondContact OD1-NH1 3.23Å; D818-R884 IonicContact OD1-NH2 2.76Å; D818-R884 PolarHBondContact OD1-NH2 3.23Å; D818-R884 IonicContact OD2-CZ 2.68Å; D818-R884 IonicContact OD2-NH1 2.65Å; D818-R884 IonicContact OD2-NH2 3.18Å; D818-R884 PolarHBondContact OD2-NH2 3.28Å
819	Q	93.3	Very high	91.1	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.051	14%	0.14	C	C	.	.			trans	-93.9	150.5	-177.5	-50.5	-52	-64.2	0	0	111.9	T772 C773 Y815 L816 L841	T772-Q819 PolarHBondContact OG1-OE1 2.67Å; C773-Q819 HydrophobicContact CB-CB 4.04Å; C773-Q819 HydrophobicContact CB-CG 3.6Å; Y815-Q819 HydrophobicContact CD1-CG 4.34Å; Y815-Q819 HydrophobicContact CE1-CG 4.04Å; Y815-Q819 HydrophobicContact CE2-CG 4.32Å; Y815-Q819 VanDerWaalsContact CE2-NE2 3.3Å; Y815-Q819 WeakPolarHBondContact O-CG 3.14Å; Y815-Q819 PolarHBondContact O-NE2 2.65Å; L816-Q819 PolarHBondContact O-N 3.06Å; Q819-L841 HydrophobicContact CB-CD1 4.07Å; Q819-L841 WeakPolarHBondContact O-CB 3.45Å; Q819-L841 PolarHBondContact O-N 3.35Å
820	H	97	Very high	91.1	Very high	19 Å²	19	25.8 Å²	25.8	9%	0.088	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.1	175.6	-59.6	81.2	0	0	0	109.8	Y697 P698 S771 V838 V839 A840	Y697-H820 HydrophobicContact CD2-CB 3.83Å; Y697-H820 AromaticContact CD2-CG 3.5Å; Y697-H820 AromaticContact CD2-ND1 3.53Å; Y697-H820 HydrophobicContact CE2-CB 4.15Å; P698-H820 PolarHBondContact O-NE2 3.11Å; S771-H820 VanDerWaalsContact CB-O 3.28Å; S771-H820 WeakPolarHBondContact CB-O 3.5Å; S771-H820 PolarHBondContact OG-O 3.04Å; H820-V838 HydrophobicContact CB-CG2 3.75Å; H820-V839 CarbonylContact C-O 3.53Å; H820-V839 VanDerWaalsContact CA-O 3.27Å; H820-V839 WeakPolarHBondContact CA-O 3.38Å; H820-A840 VanDerWaalsContact CD2-CA 3.5Å; H820-A840 WeakPolarHBondContact CD2-CA 3.45Å
821	L	97.5	Very high	91.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.8	168.9	-58.8	-176.9	0	0	0	108.9	I748 F750 L806 L823 V838 V839 L841	I748-L821 HydrophobicContact CD1-CD1 4.18Å; I748-L821 HydrophobicContact CD1-CD2 4.05Å; I748-L821 HydrophobicContact CG2-CD1 4.36Å; F750-L821 HydrophobicContact CZ-CD1 3.91Å; L806-L821 HydrophobicContact CD1-CD1 3.78Å; L806-L821 HydrophobicContact CD1-CD2 4.05Å; L821-L823 HydrophobicContact CB-CD1 3.67Å; L821-V838 CarbonylContact O-C 3.51Å; L821-V838 WeakPolarHBondContact O-CA 3.32Å; L821-V839 PolarHBondContact N-O 3.04Å; L821-V839 PolarHBondContact O-N 2.79Å; L821-L841 HydrophobicContact CD1-CD2 3.99Å; L821-L841 HydrophobicContact CG-CD2 3.92Å; L821-L841 HydrophobicContact CG-CG 4.44Å
822	L	97.9	Very high	91.6	Very high	8 Å²	8	36 Å²	36	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	122	169.2	-75.8	163.6	0	0	0	108	L590 F593 L597 Y770 V838	L590-L822 HydrophobicContact CD1-CD1 3.89Å; L590-L822 HydrophobicContact CD2-CD1 3.99Å; F593-L822 HydrophobicContact CD1-CD2 4.16Å; F593-L822 HydrophobicContact CE1-CB 3.82Å; F593-L822 HydrophobicContact CE1-CD2 4.11Å; F593-L822 HydrophobicContact CE2-CB 4.33Å; F593-L822 HydrophobicContact CZ-CB 3.71Å; L597-L822 HydrophobicContact CB-CD2 4.11Å; L597-L822 VanDerWaalsContact O-CD2 3.24Å; L597-L822 WeakPolarHBondContact O-CD2 3.3Å; Y770-L822 PolarHBondContact N-O 3.17Å; Y770-L822 PolarHBondContact O-N 3.41Å; L822-V838 HydrophobicContact CD2-CB 3.99Å; L822-V838 HydrophobicContact CD2-CG2 4.16Å
823	L	98.1	Very high	92.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.3	-179.8	-84.6	64.5	0	0	0	109.4	I767 E768 F769 L821 E836 C837 I866	I767-L823 HydrophobicContact CG2-CB 4.22Å; I767-L823 HydrophobicContact CG2-CD2 4.08Å; I767-L823 HydrophobicContact CG2-CG 3.93Å; E768-L823 WeakPolarHBondContact O-CA 3.46Å; F769-L823 HydrophobicContact CD1-CD1 3.81Å; F769-L823 HydrophobicContact CD1-CD2 4.28Å; F769-L823 HydrophobicContact CD1-CG 3.82Å; F769-L823 HydrophobicContact CE1-CD1 4.28Å; F769-L823 HydrophobicContact CE1-CD2 3.92Å; F769-L823 HydrophobicContact CE1-CG 3.96Å; L821-L823 HydrophobicContact CB-CD1 3.67Å; L823-E836 CarbonylContact O-C 3.58Å; L823-E836 VanDerWaalsContact O-CA 3.31Å; L823-E836 WeakPolarHBondContact O-CA 3.29Å; L823-C837 PolarHBondContact N-O 3.46Å; L823-C837 PolarHBondContact O-N 3.47Å; L823-I866 HydrophobicContact CD2-CD1 4.14Å
824	T	97.7	Very high	92.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.1	166.3	165.9	0	0	0	0	109.3	A592 F593 I767 E768 Y770 S833 G835	A592-T824 HydrophobicContact CB-CG2 4.29Å; F593-T824 HydrophobicContact CE2-CG2 4.39Å; F593-T824 HydrophobicContact CZ-CG2 3.97Å; I767-T824 WeakPolarHBondContact CA-O 3.18Å; E768-T824 HydrophobicContact CB-CG2 3.78Å; E768-T824 HydrophobicContact CG-CG2 4.48Å; E768-T824 PolarHBondContact N-O 3.3Å; E768-T824 PolarHBondContact O-N 3.25Å; Y770-T824 HydrophobicContact CD2-CG2 4.47Å; Y770-T824 HydrophobicContact CE2-CG2 3.96Å; T824-S833 VanDerWaalsContact OG1-CB 3.31Å; T824-S833 WeakPolarHBondContact OG1-CB 3.26Å; T824-S833 PolarHBondContact OG1-OG 2.83Å; T824-G835 WeakPolarHBondContact CA-O 3.38Å
825	V	97.7	Very high	93.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.9	176.1	-176.9	0	0	0	0	108	V757 F765 I767 W798 Y834 G835 L856 I866	V757-V825 HydrophobicContact CG2-CG1 4.19Å; F765-V825 HydrophobicContact CB-CG1 4.14Å; F765-V825 HydrophobicContact CD1-CG1 3.86Å; F765-V825 HydrophobicContact CG-CG1 4.31Å; I767-V825 HydrophobicContact CG1-CG2 4.48Å; W798-V825 HydrophobicContact CH2-CG1 4.03Å; W798-V825 HydrophobicContact CZ2-CG1 4.47Å; V825-Y834 PolarHBondContact O-N 2.9Å; V825-G835 PolarHBondContact N-O 3.02Å; V825-L856 HydrophobicContact CG2-CD1 4.28Å; V825-L856 HydrophobicContact CG2-CD2 3.98Å; V825-I866 HydrophobicContact CG2-CD1 4Å
826	K	96.5	Very high	94.1	Very high	28 Å²	28	31.9 Å²	31.9	12%	0.122	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147	-174.4	-74.8	178.7	168.4	178.3	0	112.4	F765 F766 E768 Y831 E832	F765-K826 CarbonylContact C-O 3.55Å; F765-K826 VanDerWaalsContact CA-O 3.22Å; F765-K826 WeakPolarHBondContact CA-O 3.5Å; F765-K826 WeakPolarHBondContact CD1-O 3.11Å; F766-K826 HydrophobicContact CD1-CB 4.06Å; F766-K826 WeakPolarHBondContact CD1-O 3.25Å; F766-K826 HydrophobicContact CE1-CB 3.52Å; F766-K826 HydrophobicContact CE2-CB 4.16Å; F766-K826 HydrophobicContact CE2-CD 4.16Å; F766-K826 HydrophobicContact CZ-CB 3.58Å; F766-K826 HydrophobicContact CZ-CD 3.77Å; F766-K826 HydrophobicContact CZ-CG 4.33Å; F766-K826 PolarHBondContact N-O 2.82Å; F766-K826 PolarHBondContact O-N 3.49Å; E768-K826 HydrophobicContact CG-CD 4.36Å; E768-K826 IonicContact OE1-NZ 2.8Å; E768-K826 PolarHBondContact OE1-NZ 3.44Å; E768-K826 WeakPolarHBondContact OE2-CE 3.21Å; E768-K826 IonicContact OE2-NZ 3.77Å; E768-K826 PolarHBondContact OE2-NZ 2.94Å; K826-Y831 WeakPolarHBondContact CD-O 3.49Å; K826-E832 VanDerWaalsContact CA-O 3.22Å; K826-E832 WeakPolarHBondContact CA-O 3.42Å
827	S	95.7	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	148.5	174.7	72.3	0	0	0	0	112.3	K764 D829 Y831 E832	K764-S827 CarbonylContact O-C 3.57Å; K764-S827 WeakPolarHBondContact O-CA 3.45Å; S827-D829 VanDerWaalsContact C-N 3.3Å; S827-D829 WeakPolarHBondContact CB-OD1 3.23Å; S827-D829 PolarHBondContact O-N 3.49Å; S827-D829 PolarHBondContact OG-OD1 3.17Å; S827-Y831 VanDerWaalsContact O-CA 3.26Å; S827-Y831 WeakPolarHBondContact O-CA 3.48Å; S827-Y831 PolarHBondContact O-N 2.69Å; S827-E832 PolarHBondContact N-O 2.88Å
828	M	94.4	Very high	94.9	Very high	72 Å²	72	30.3 Å²	30.3	36%	0.355	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.1	-178.4	-72	-69.4	-65.3	0	0	113.8	K764 F766 E782	K764-M828 HydrophobicContact CB-CB 3.97Å; K764-M828 HydrophobicContact CB-CG 3.69Å; K764-M828 WeakPolarHBondContact O-CG 3.41Å; K764-M828 PolarHBondContact O-N 2.95Å; F766-M828 HydrophobicContact CB-SD 4.11Å; F766-M828 HydrophobicContact CD1-CG 4.25Å; F766-M828 HydrophobicContact CD1-SD 3.53Å; F766-M828 VanDerWaalsContact CD1-SD 3.53Å; F766-M828 HydrophobicContact CE1-SD 4.3Å; F766-M828 HydrophobicContact CG-SD 4.13Å; E782-M828 HydrophobicContact CB-CE 4.45Å; E782-M828 HydrophobicContact CB-CG 4.17Å; E782-M828 HydrophobicContact CB-SD 4.23Å
829	D	91	Very high	95.3	Very high	101 Å²	101	29.3 Å²	29.3	54%	0.54	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-49	-178.1	45.1	20.7	0	0	0	112.9	T763 S827	T763-D829 WeakPolarHBondContact CB-OD2 3.44Å; T763-D829 VanDerWaalsContact OG1-CG 3.24Å; T763-D829 PolarHBondContact OG1-OD2 2.96Å; S827-D829 VanDerWaalsContact C-N 3.3Å; S827-D829 WeakPolarHBondContact CB-OD1 3.23Å; S827-D829 PolarHBondContact O-N 3.49Å; S827-D829 PolarHBondContact OG-OD1 3.17Å
830	G	88	Confident	95.5	Very high	44 Å²	44	28.9 Å²	28.9	45%	0.454	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-11.4	-177.6	0	0	0	0	0	115.5	E832	G830-E832 PolarHBondContact O-N 2.89Å
831	Y	90.9	Very high	95.4	Very high	129 Å²	129	28 Å²	28	51%	0.506	14%	0.143	S	C	.	.			trans	58.4	12.6	-172.1	-70.2	-107.5	0	0	0	114.4	F766 K826 S827	F766-Y831 AromaticContact CE1-CD1 3.88Å; F766-Y831 HydrophobicContact CE1-CD1 3.88Å; F766-Y831 HydrophobicContact CE1-CE1 4.01Å; F766-Y831 HydrophobicContact CE1-CG 4.46Å; F766-Y831 AromaticContact CZ-CD1 3.61Å; F766-Y831 HydrophobicContact CZ-CD1 3.61Å; F766-Y831 AromaticContact CZ-CE1 3.87Å; F766-Y831 HydrophobicContact CZ-CE1 3.87Å; F766-Y831 HydrophobicContact CZ-CG 4.49Å; K826-Y831 WeakPolarHBondContact CD-O 3.49Å; S827-Y831 VanDerWaalsContact O-CA 3.26Å; S827-Y831 WeakPolarHBondContact O-CA 3.48Å; S827-Y831 PolarHBondContact O-N 2.69Å
832	E	91.3	Very high	95	Very high	115 Å²	115	30.3 Å²	30.3	54%	0.537	15%	0.153	S	C	.	.			trans	-74.6	144.6	177.2	-58.7	-162.7	120.3	0	0	110.9	K826 S827 G830 Y834	K826-E832 VanDerWaalsContact CA-O 3.22Å; K826-E832 WeakPolarHBondContact CA-O 3.42Å; S827-E832 PolarHBondContact N-O 2.88Å; G830-E832 PolarHBondContact O-N 2.89Å; E832-Y834 HydrophobicContact CB-CE2 4.46Å
833	S	94.3	Very high	94.6	Very high	13 Å²	13	33.3 Å²	33.3	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.9	172.3	-173.9	0	0	0	0	110.1	T824 G835 E836 H858	T824-S833 VanDerWaalsContact OG1-CB 3.31Å; T824-S833 WeakPolarHBondContact OG1-CB 3.26Å; T824-S833 PolarHBondContact OG1-OG 2.83Å; S833-G835 PolarHBondContact OG-N 3Å; S833-E836 VanDerWaalsContact CB-OE1 3.27Å; S833-E836 WeakPolarHBondContact CB-OE1 3.23Å; S833-E836 PolarHBondContact OG-OE1 3.11Å; S833-H858 PolarHBondContact O-CD2 3.25Å; S833-H858 PolarHBondContact O-CE1 2.87Å; S833-H858 PolarHBondContact O-ND1 3Å; S833-H858 PolarHBondContact O-NE2 2.84Å
834	Y	95.3	Very high	94.2	Very high	51 Å²	51	33.9 Å²	33.9	20%	0.2	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-0.7	169.6	-79	-112.9	0	0	0	111.6	V757 F765 V825 E832 T863	V757-Y834 HydrophobicContact CG1-CD1 4.04Å; V757-Y834 HydrophobicContact CG1-CG 4.2Å; F765-Y834 HydrophobicContact CE1-CD1 4.07Å; F765-Y834 AromaticContact CE1-CD2 3.69Å; F765-Y834 HydrophobicContact CE1-CD2 3.69Å; F765-Y834 HydrophobicContact CE1-CE2 4.17Å; F765-Y834 AromaticContact CE1-CG 3.63Å; F765-Y834 HydrophobicContact CE1-CG 3.63Å; F765-Y834 HydrophobicContact CZ-CD1 4.2Å; F765-Y834 HydrophobicContact CZ-CD2 4.44Å; F765-Y834 HydrophobicContact CZ-CE1 4.37Å; F765-Y834 HydrophobicContact CZ-CG 4.23Å; V825-Y834 PolarHBondContact O-N 2.9Å; E832-Y834 HydrophobicContact CB-CE2 4.46Å; Y834-T863 WeakPolarHBondContact O-CB 3.49Å; Y834-T863 PolarHBondContact O-OG1 2.77Å
835	G	95.9	Very high	93.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	131.4	179.2	0	0	0	0	0	113.7	T824 V825 S833 T863	T824-G835 WeakPolarHBondContact CA-O 3.38Å; V825-G835 PolarHBondContact N-O 3.02Å; S833-G835 PolarHBondContact OG-N 3Å; G835-T863 WeakPolarHBondContact CA-OG1 3.41Å
836	E	96.9	Very high	93	Very high	2 Å²	2	37 Å²	37	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.8	172.6	-56.8	89.4	-111.7	0	0	111.4	F593 L597 L823 S833 L856 S857 H858	F593-E836 HydrophobicContact CD1-CB 3.7Å; F593-E836 HydrophobicContact CD1-CG 3.63Å; F593-E836 HydrophobicContact CE1-CB 3.88Å; F593-E836 HydrophobicContact CE1-CG 3.92Å; F593-E836 HydrophobicContact CG-CG 4.36Å; L597-E836 HydrophobicContact CD1-CB 3.41Å; L597-E836 VanDerWaalsContact CD1-CB 3.41Å; L823-E836 CarbonylContact O-C 3.58Å; L823-E836 VanDerWaalsContact O-CA 3.31Å; L823-E836 WeakPolarHBondContact O-CA 3.29Å; S833-E836 VanDerWaalsContact CB-OE1 3.27Å; S833-E836 WeakPolarHBondContact CB-OE1 3.23Å; S833-E836 PolarHBondContact OG-OE1 3.11Å; E836-L856 WeakPolarHBondContact O-CA 3.39Å; E836-S857 PolarHBondContact N-O 3.39Å; E836-S857 PolarHBondContact O-N 3.2Å; E836-H858 IonicContact OE1-CE1 2.74Å; E836-H858 IonicContact OE1-CG 3.21Å; E836-H858 IonicContact OE1-ND1 3.45Å; E836-H858 PolarHBondContact OE1-ND1 3.08Å; E836-H858 IonicContact OE2-ND1 3.04Å
837	C	97.3	Very high	92.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	176.5	168.7	74.2	0	0	0	0	112.4	L823 T854 L856 I866	L823-C837 PolarHBondContact N-O 3.46Å; L823-C837 PolarHBondContact O-N 3.47Å; C837-T854 HydrophobicContact CB-CG2 3.68Å; C837-T854 VanDerWaalsContact SG-CG2 3.52Å; C837-L856 HydrophobicContact CB-CD2 4.18Å; C837-I866 HydrophobicContact CB-CG2 4.34Å; C837-I866 VanDerWaalsContact SG-CG2 3.51Å
838	V	97.5	Very high	91.8	Very high	14 Å²	14	44.5 Å²	44.5	9%	0.085	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.6	176.1	60.6	0	0	0	0	110.3	L597 Y697 P698 H820 L821 L822	L597-V838 HydrophobicContact CD2-CB 4.28Å; L597-V838 HydrophobicContact CD2-CG1 3.89Å; Y697-V838 HydrophobicContact CD1-CG1 4.23Å; Y697-V838 HydrophobicContact CD1-CG2 4.01Å; Y697-V838 HydrophobicContact CD2-CG2 4.28Å; Y697-V838 HydrophobicContact CE1-CG2 4.25Å; Y697-V838 HydrophobicContact CG-CG2 4.04Å; P698-V838 HydrophobicContact CG-CG1 4.23Å; H820-V838 HydrophobicContact CB-CG2 3.75Å; L821-V838 CarbonylContact O-C 3.51Å; L821-V838 WeakPolarHBondContact O-CA 3.32Å; L822-V838 HydrophobicContact CD2-CB 3.99Å; L822-V838 HydrophobicContact CD2-CG2 4.16Å
839	V	97.7	Very high	91.7	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.1	179	-172.7	0	0	0	0	109.4	H820 L821 F852 T854 M870	H820-V839 CarbonylContact C-O 3.53Å; H820-V839 VanDerWaalsContact CA-O 3.27Å; H820-V839 WeakPolarHBondContact CA-O 3.38Å; L821-V839 PolarHBondContact N-O 3.04Å; L821-V839 PolarHBondContact O-N 2.79Å; V839-F852 HydrophobicContact CG1-CB 3.95Å; V839-F852 HydrophobicContact CG1-CD2 4.17Å; V839-F852 HydrophobicContact CG1-CG 4.04Å; V839-F852 HydrophobicContact CG2-CD2 3.77Å; V839-F852 HydrophobicContact CG2-CE2 3.98Å; V839-F852 HydrophobicContact CG2-CG 4.45Å; V839-T854 HydrophobicContact CG2-CG2 4.13Å; V839-M870 HydrophobicContact CB-CE 4.46Å; V839-M870 HydrophobicContact CG1-CE 3.7Å
840	A	96.6	Very high	91.9	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	144	175.6	0	0	0	0	0	111.4	P698 E699 H820 M844	P698-A840 HydrophobicContact CB-CB 4.4Å; P698-A840 HydrophobicContact CG-CB 4.14Å; E699-A840 HydrophobicContact CB-CB 4.02Å; E699-A840 HydrophobicContact CG-CB 4.14Å; H820-A840 VanDerWaalsContact CD2-CA 3.5Å; H820-A840 WeakPolarHBondContact CD2-CA 3.45Å; A840-M844 WeakPolarHBondContact O-CG 3.34Å
841	L	95	Very high	92.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-87	-13.7	174.1	-64	-169.2	0	0	0	113.7	I748 L816 Q819 L821 S843 M844 I845 M870 V872	I748-L841 HydrophobicContact CD1-CD1 3.57Å; I748-L841 HydrophobicContact CD1-CD2 4.23Å; L816-L841 WeakPolarHBondContact O-CB 3.21Å; Q819-L841 HydrophobicContact CB-CD1 4.07Å; Q819-L841 WeakPolarHBondContact O-CB 3.45Å; Q819-L841 PolarHBondContact O-N 3.35Å; L821-L841 HydrophobicContact CD1-CD2 3.99Å; L821-L841 HydrophobicContact CG-CD2 3.92Å; L821-L841 HydrophobicContact CG-CG 4.44Å; L841-S843 PolarHBondContact O-N 2.89Å; L841-M844 WeakPolarHBondContact O-CB 3.16Å; L841-M844 PolarHBondContact O-N 2.93Å; L841-I845 WeakPolarHBondContact O-CG1 3.43Å; L841-M870 HydrophobicContact CD2-SD 4.03Å; L841-V872 HydrophobicContact CB-CG2 4.41Å; L841-V872 HydrophobicContact CD1-CG2 4.27Å; L841-V872 HydrophobicContact CD2-CG2 3.94Å; L841-V872 HydrophobicContact CG-CG2 4.44Å
842	K	89.2	Confident	92.5	Very high	48 Å²	48	42 Å²	42	21%	0.209	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-51.1	-49.5	-173.5	-171.6	160.7	-176	162.3	0	113.6	E699 Q817 E887	E699-K842 HydrophobicContact CB-CB 4.39Å; Q817-K842 HydrophobicContact CB-CG 4.33Å; Q817-K842 VanDerWaalsContact O-CB 3.32Å; Q817-K842 WeakPolarHBondContact O-CB 3.33Å; K842-E887 IonicContact NZ-OE1 2.87Å; K842-E887 PolarHBondContact NZ-OE1 3.5Å
843	S	88.9	Confident	92.8	Very high	71 Å²	71	42.5 Å²	42.5	50%	0.497	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-87.4	2.8	178.4	-71.4	0	0	0	0	114.3	E699 L841	E699-S843 WeakPolarHBondContact OE2-CB 3.09Å; E699-S843 PolarHBondContact OE2-OG 3Å; L841-S843 PolarHBondContact O-N 2.89Å
844	M	89.7	Confident	93	Very high	14 Å²	14	43 Å²	43	7%	0.069	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-104	-0.8	-175.8	-54.6	-63.5	156.5	0	0	114.1	A840 L841 Q850 F852 M870 V872	A840-M844 WeakPolarHBondContact O-CG 3.34Å; L841-M844 WeakPolarHBondContact O-CB 3.16Å; L841-M844 PolarHBondContact O-N 2.93Å; M844-Q850 HydrophobicContact SD-CB 3.71Å; M844-F852 HydrophobicContact CE-CB 3.76Å; M844-M870 HydrophobicContact CB-CG 4.06Å; M844-M870 HydrophobicContact CB-SD 3.94Å; M844-M870 HydrophobicContact CG-CG 4.01Å; M844-M870 HydrophobicContact CG-SD 3.8Å; M844-M870 HydrophobicContact SD-CG 3.85Å; M844-M870 HydrophobicContact SD-SD 4.32Å; M844-V872 HydrophobicContact CB-CG2 4.12Å; M844-V872 PolarHBondContact O-N 2.96Å
845	I	87.8	Confident	93	Very high	41 Å²	41	45.6 Å²	45.6	21%	0.21	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-81.9	122.9	-177.3	-48.6	-162.9	0	0	0	111.9	I813 L816 Q817 L841 V872 V874	I813-I845 HydrophobicContact CG2-CD1 4.32Å; L816-I845 HydrophobicContact CB-CD1 3.64Å; Q817-I845 HydrophobicContact CB-CD1 4.49Å; Q817-I845 HydrophobicContact CG-CD1 3.6Å; Q817-I845 HydrophobicContact CG-CG1 4.49Å; L841-I845 WeakPolarHBondContact O-CG1 3.43Å; I845-V872 HydrophobicContact CB-CB 4.47Å; I845-V872 HydrophobicContact CG1-CB 4.15Å; I845-V872 HydrophobicContact CG1-CG1 4.49Å; I845-V872 HydrophobicContact CG1-CG2 4.49Å; I845-V874 HydrophobicContact CG2-CG2 4Å
846	G	83.8	Confident	93	Very high	24 Å²	24	45.6 Å²	45.6	25%	0.247	26%	0.255	C	S	.	.	S	Bend	trans	162	173.2	179.2	0	0	0	0	0	113.3	V872	G846-V872 PolarHBondContact N-O 3.38Å
847	S	78.9	Confident	92.9	Very high	98 Å²	98	45.6 Å²	45.6	69%	0.685	26%	0.255	S	S	*	.	S	Bend	trans	-81.5	-20.6	171.2	53.8	0	0	0	0	113.1
848	T	87.7	Confident	92.8	Very high	87 Å²	87	47.6 Å²	47.6	53%	0.534	26%	0.264	S	S	.	.	S	Bend	trans	-90.5	138.4	173.7	54.2	0	0	0	0	110.3	Q850	T848-Q850 PolarHBondContact OG1-NE2 2.56Å
849	A	91.9	Very high	92.3	Very high	28 Å²	28	52.9 Å²	52.9	23%	0.231	28%	0.282	C	S	.	.			trans	-70.6	145.7	172.6	0	0	0	0	0	112	E751 S869 M870 K871	E751-A849 HydrophobicContact CG-CB 4.28Å; E751-A849 WeakPolarHBondContact OE1-CB 3.42Å; E751-A849 WeakPolarHBondContact OE2-CB 3.43Å; A849-S869 VanDerWaalsContact CB-OG 3.23Å; A849-S869 WeakPolarHBondContact CB-OG 3.14Å; A849-M870 CarbonylContact C-O 3.52Å; A849-M870 VanDerWaalsContact CA-O 3.25Å; A849-M870 WeakPolarHBondContact CA-O 3.44Å; A849-K871 HydrophobicContact CB-CB 4.38Å; A849-K871 HydrophobicContact CB-CD 4.26Å
850	Q	94.9	Very high	91.7	Very high	83 Å²	83	52.6 Å²	52.6	39%	0.388	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.8	179.4	-60.2	-60.6	-16.3	0	0	109	M844 T848 S869 M870	M844-Q850 HydrophobicContact SD-CB 3.71Å; T848-Q850 PolarHBondContact OG1-NE2 2.56Å; Q850-S869 WeakPolarHBondContact O-CA 3.43Å; Q850-M870 PolarHBondContact N-O 2.81Å; Q850-M870 PolarHBondContact O-N 2.91Å
851	Q	96.2	Very high	91.4	Very high	171 Å²	171	56.6 Å²	56.6	80%	0.799	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.6	-178.8	-68	-177.7	-6.9	0	0	111.1	G868	Q851-G868 VanDerWaalsContact CA-O 3.32Å; Q851-G868 WeakPolarHBondContact CA-O 3.45Å
852	F	96.9	Very high	91.4	Very high	13 Å²	13	60.2 Å²	60.2	6%	0.057	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	152	168.2	72.7	-87.6	0	0	0	110.7	F750 I753 V839 M844 R867 G868 M870	F750-F852 HydrophobicContact CD1-CE1 4.34Å; F750-F852 HydrophobicContact CE1-CE1 4.31Å; I753-F852 HydrophobicContact CD1-CZ 4.25Å; I753-F852 HydrophobicContact CG1-CZ 4.12Å; V839-F852 HydrophobicContact CG1-CB 3.95Å; V839-F852 HydrophobicContact CG1-CD2 4.17Å; V839-F852 HydrophobicContact CG1-CG 4.04Å; V839-F852 HydrophobicContact CG2-CD2 3.77Å; V839-F852 HydrophobicContact CG2-CE2 3.98Å; V839-F852 HydrophobicContact CG2-CG 4.45Å; M844-F852 HydrophobicContact CE-CB 3.76Å; F852-R867 CarbonylContact O-C 3.56Å; F852-R867 WeakPolarHBondContact O-CA 3.33Å; F852-R867 VanDerWaalsContact O-CB 3.27Å; F852-R867 WeakPolarHBondContact O-CB 3.42Å; F852-G868 WeakPolarHBondContact CD1-O 3.38Å; F852-G868 VanDerWaalsContact CE1-CA 3.46Å; F852-G868 PolarHBondContact N-O 3.09Å; F852-G868 PolarHBondContact O-N 3.13Å; F852-M870 HydrophobicContact CD1-CE 3.42Å; F852-M870 VanDerWaalsContact CD1-CE 3.42Å; F852-M870 HydrophobicContact CD1-CG 4.35Å; F852-M870 HydrophobicContact CE1-CE 3.55Å; F852-M870 HydrophobicContact CG-CE 4.07Å; F852-M870 HydrophobicContact CZ-CE 4.29Å
853	L	97.2	Very high	91.7	Very high	124 Å²	124	58.7 Å²	58.7	65%	0.649	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	131.3	172.5	170.1	65	0	0	0	107.6	I866 R867	L853-I866 WeakPolarHBondContact CA-O 3.47Å; L853-R867 HydrophobicContact CB-CB 4.32Å; L853-R867 HydrophobicContact CD1-CB 3.91Å
854	T	96.9	Very high	92	Very high	25 Å²	25	55.6 Å²	55.6	15%	0.153	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	164	178.1	-171.7	0	0	0	0	111.1	C837 V839 N865 I866	C837-T854 HydrophobicContact CB-CG2 3.68Å; C837-T854 VanDerWaalsContact SG-CG2 3.52Å; V839-T854 HydrophobicContact CG2-CG2 4.13Å; T854-N865 WeakPolarHBondContact O-CA 3.24Å; T854-I866 HydrophobicContact CG2-CG2 3.62Å; T854-I866 PolarHBondContact N-O 2.95Å; T854-I866 PolarHBondContact O-N 3.08Å
855	F	95.9	Very high	92.4	Very high	105 Å²	105	57 Å²	57	46%	0.461	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.5	-177.3	-54.8	-97.1	0	0	0	111.2	R649 E862	R649-F855 PolarHBondContact NH1-O 3.33Å; R649-F855 PolarHBondContact NH2-O 3.43Å; F855-E862 WeakPolarHBondContact CD1-OE1 3.41Å
856	L	97.1	Very high	92.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.6	172.1	-66	173.8	0	0	0	109.5	A755 V757 V825 E836 C837 E862 T863 G864 I866	A755-L856 HydrophobicContact CB-CD1 4.3Å; V757-L856 HydrophobicContact CG2-CD1 4.19Å; V825-L856 HydrophobicContact CG2-CD1 4.28Å; V825-L856 HydrophobicContact CG2-CD2 3.98Å; E836-L856 WeakPolarHBondContact O-CA 3.39Å; C837-L856 HydrophobicContact CB-CD2 4.18Å; L856-E862 WeakPolarHBondContact O-CG 3.45Å; L856-T863 PolarHBondContact O-N 3.3Å; L856-G864 PolarHBondContact N-O 3.32Å; L856-G864 PolarHBondContact O-N 3.06Å; L856-I866 HydrophobicContact CD1-CB 4.32Å; L856-I866 HydrophobicContact CD2-CB 4.09Å; L856-I866 HydrophobicContact CD2-CG2 3.69Å; L856-I866 HydrophobicContact CG-CB 4.13Å; L856-I866 HydrophobicContact CG-CG2 3.99Å
857	S	94.9	Very high	93.5	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.014	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-132.4	140.4	169.5	50.4	0	0	0	0	109.5	R649 E836 E861	R649-S857 PolarHBondContact NH2-OG 3.43Å; E836-S857 PolarHBondContact N-O 3.39Å; E836-S857 PolarHBondContact O-N 3.2Å; S857-E861 WeakPolarHBondContact CA-O 3.32Å; S857-E861 WeakPolarHBondContact CB-O 3.46Å
858	H	93.8	Very high	94.4	Very high	41 Å²	41	55.4 Å²	55.4	19%	0.19	27%	0.27	C	S	.	.	S	Bend	trans	-130.9	124.3	170.1	-177.6	62.4	0	0	0	108.1	S833 E836 G860 E861 T863	S833-H858 PolarHBondContact O-CD2 3.25Å; S833-H858 PolarHBondContact O-CE1 2.87Å; S833-H858 PolarHBondContact O-ND1 3Å; S833-H858 PolarHBondContact O-NE2 2.84Å; E836-H858 IonicContact OE1-CE1 2.74Å; E836-H858 IonicContact OE1-CG 3.21Å; E836-H858 IonicContact OE1-ND1 3.45Å; E836-H858 PolarHBondContact OE1-ND1 3.08Å; E836-H858 IonicContact OE2-ND1 3.04Å; H858-G860 PolarHBondContact O-N 3.34Å; H858-E861 WeakPolarHBondContact O-CB 3.2Å; H858-T863 HydrophobicContact CB-CG2 3.85Å
859	R	88.4	Confident	94.9	Very high	125 Å²	125	52 Å²	52	47%	0.472	25%	0.25	S	C	.	.	S	Bend	trans	57.3	0.8	-179	-58.3	177.4	-165.8	-139.9	5.4	116.3	R581	R581-R859 HydrophobicContact CG-CB 4.35Å; R581-R859 HydrophobicContact CG-CG 4.46Å; R581-R859 PolarHBondContact NE-O 2.91Å; R581-R859 PolarHBondContact NH2-O 2.94Å
860	G	83.8	Confident	95	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.021	24%	0.239	C	C	.	.	S	Bend	trans	84.7	55.9	141	0	0	0	0	0	120.4	H858	H858-G860 PolarHBondContact O-N 3.34Å
861	E	90.6	Very high	94.9	Very high	86 Å²	86	48.1 Å²	48.1	40%	0.402	23%	0.226	S	C	.	.	S	Bend	cis	55.7	126.3	5.2	-54.7	-172.4	-113.2	0	0	119.4	R581 L648 S857 H858	R581-E861 IonicContact CZ-OE1 2.84Å; R581-E861 IonicContact NH2-OE1 3.01Å; R581-E861 PolarHBondContact NH2-OE1 3.24Å; L648-E861 VanDerWaalsContact CD2-C 3.45Å; L648-E861 WeakPolarHBondContact CD2-O 3.31Å; S857-E861 WeakPolarHBondContact CA-O 3.32Å; S857-E861 WeakPolarHBondContact CB-O 3.46Å; H858-E861 WeakPolarHBondContact O-CB 3.2Å
862	E	94.1	Very high	94.8	Very high	76 Å²	76	40 Å²	40	36%	0.355	19%	0.188	S	C	.	.			trans	-102.3	135.3	169.9	-170.9	175.9	131.8	0	0	110.4	L648 F855 L856	L648-E862 HydrophobicContact CD2-CB 4.02Å; F855-E862 WeakPolarHBondContact CD1-OE1 3.41Å; L856-E862 WeakPolarHBondContact O-CG 3.45Å
863	T	95.6	Very high	94.4	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.098	21%	0.206	C	C	.	.			trans	-118.7	3.6	-176.7	56.3	0	0	0	0	114.1	K758 Y834 G835 L856 H858	K758-T863 VanDerWaalsContact CB-O 3.25Å; K758-T863 WeakPolarHBondContact CB-O 3.25Å; K758-T863 PolarHBondContact N-O 3.26Å; Y834-T863 WeakPolarHBondContact O-CB 3.49Å; Y834-T863 PolarHBondContact O-OG1 2.77Å; G835-T863 WeakPolarHBondContact CA-OG1 3.41Å; L856-T863 PolarHBondContact O-N 3.3Å; H858-T863 HydrophobicContact CB-CG2 3.85Å
864	G	95.9	Very high	93.7	Very high	6 Å²	6	40.5 Å²	40.5	6%	0.062	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137	-144.8	171.3	0	0	0	0	0	112.7	I756 L856	I756-G864 WeakPolarHBondContact O-CA 3.49Å; L856-G864 PolarHBondContact N-O 3.32Å; L856-G864 PolarHBondContact O-N 3.06Å
865	N	97.3	Very high	92.6	Very high	45 Å²	45	41.3 Å²	41.3	24%	0.241	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161	-176.6	61.8	77.1	0	0	0	112.7	A755 I756 T854	A755-N865 CarbonylContact C-O 3.57Å; A755-N865 VanDerWaalsContact CA-O 3.31Å; A755-N865 WeakPolarHBondContact CA-O 3.44Å; I756-N865 PolarHBondContact N-O 2.78Å; I756-N865 PolarHBondContact O-N 3.23Å; I756-N865 VanDerWaalsContact O-N 3.07Å; T854-N865 WeakPolarHBondContact O-CA 3.24Å
866	I	98.4	Very high	90.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.3	-179.6	-174.5	169.3	0	0	0	110.1	I753 E754 A755 I767 L823 V825 C837 L853 T854 L856	I753-I866 HydrophobicContact CG2-CD1 3.79Å; I753-I866 HydrophobicContact CG2-CG1 3.75Å; E754-I866 WeakPolarHBondContact O-CA 3.4Å; A755-I866 HydrophobicContact CB-CB 4.09Å; A755-I866 HydrophobicContact CB-CD1 4.32Å; A755-I866 HydrophobicContact CB-CG1 4.01Å; I767-I866 HydrophobicContact CD1-CD1 4.29Å; L823-I866 HydrophobicContact CD2-CD1 4.14Å; V825-I866 HydrophobicContact CG2-CD1 4Å; C837-I866 HydrophobicContact CB-CG2 4.34Å; C837-I866 VanDerWaalsContact SG-CG2 3.51Å; L853-I866 WeakPolarHBondContact CA-O 3.47Å; T854-I866 HydrophobicContact CG2-CG2 3.62Å; T854-I866 PolarHBondContact N-O 2.95Å; T854-I866 PolarHBondContact O-N 3.08Å; L856-I866 HydrophobicContact CD1-CB 4.32Å; L856-I866 HydrophobicContact CD2-CB 4.09Å; L856-I866 HydrophobicContact CD2-CG2 3.69Å; L856-I866 HydrophobicContact CG-CB 4.13Å; L856-I866 HydrophobicContact CG-CG2 3.99Å
867	R	97.9	Very high	88.7	Confident	121 Å²	121	51 Å²	51	46%	0.457	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158	178.9	60.5	-177.5	-177.9	161.3	1.7	111.4	I753 E754 F852 L853	I753-R867 CarbonylContact C-O 3.58Å; I753-R867 WeakPolarHBondContact CA-O 3.31Å; E754-R867 HydrophobicContact CB-CG 4.17Å; E754-R867 PolarHBondContact N-O 3.02Å; E754-R867 PolarHBondContact O-N 3.16Å; E754-R867 VanDerWaalsContact O-O 3.08Å; E754-R867 IonicContact OE1-CZ 2.71Å; E754-R867 IonicContact OE1-NE 3.56Å; E754-R867 PolarHBondContact OE1-NE 3.41Å; E754-R867 IonicContact OE1-NH2 2.77Å; E754-R867 PolarHBondContact OE1-NH2 3.04Å; E754-R867 IonicContact OE2-NH2 2.74Å; F852-R867 CarbonylContact O-C 3.56Å; F852-R867 WeakPolarHBondContact O-CA 3.33Å; F852-R867 VanDerWaalsContact O-CB 3.27Å; F852-R867 WeakPolarHBondContact O-CB 3.42Å; L853-R867 HydrophobicContact CB-CB 4.32Å; L853-R867 HydrophobicContact CD1-CB 3.91Å
868	G	97.2	Very high	86.7	Confident	8 Å²	8	55.3 Å²	55.3	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	175	177.1	0	0	0	0	0	113.6	S752 Q851 F852	S752-G868 CarbonylContact O-C 3.44Å; S752-G868 WeakPolarHBondContact O-CA 3.44Å; Q851-G868 VanDerWaalsContact CA-O 3.32Å; Q851-G868 WeakPolarHBondContact CA-O 3.45Å; F852-G868 WeakPolarHBondContact CD1-O 3.38Å; F852-G868 VanDerWaalsContact CE1-CA 3.46Å; F852-G868 PolarHBondContact N-O 3.09Å; F852-G868 PolarHBondContact O-N 3.13Å
869	S	97.3	Very high	84.6	Confident	16 Å²	16	58.9 Å²	58.9	11%	0.112	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.3	173.8	-176.1	0	0	0	0	108.8	F750 E751 S752 A849 Q850	F750-S869 WeakPolarHBondContact CA-O 3.47Å; E751-S869 PolarHBondContact N-O 3.42Å; E751-S869 PolarHBondContact OE2-OG 3.46Å; S752-S869 PolarHBondContact O-N 3.18Å; A849-S869 VanDerWaalsContact CB-OG 3.23Å; A849-S869 WeakPolarHBondContact CB-OG 3.14Å; Q850-S869 WeakPolarHBondContact O-CA 3.43Å
870	M	95.8	Very high	82.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.7	179.1	79.5	163.7	82.9	0	0	113	I748 E749 F750 V839 L841 M844 A849 Q850 F852	I748-M870 HydrophobicContact CG2-SD 4.23Å; E749-M870 CarbonylContact O-C 3.52Å; E749-M870 VanDerWaalsContact O-CA 3.25Å; E749-M870 WeakPolarHBondContact O-CA 3.38Å; F750-M870 HydrophobicContact CD1-CB 3.79Å; F750-M870 HydrophobicContact CE1-CB 4.1Å; F750-M870 HydrophobicContact CE1-CE 3.76Å; F750-M870 HydrophobicContact CE1-SD 4.37Å; F750-M870 HydrophobicContact CG-CB 4.45Å; V839-M870 HydrophobicContact CB-CE 4.46Å; V839-M870 HydrophobicContact CG1-CE 3.7Å; L841-M870 HydrophobicContact CD2-SD 4.03Å; M844-M870 HydrophobicContact CB-CG 4.06Å; M844-M870 HydrophobicContact CB-SD 3.94Å; M844-M870 HydrophobicContact CG-CG 4.01Å; M844-M870 HydrophobicContact CG-SD 3.8Å; M844-M870 HydrophobicContact SD-CG 3.85Å; M844-M870 HydrophobicContact SD-SD 4.32Å; A849-M870 CarbonylContact C-O 3.52Å; A849-M870 VanDerWaalsContact CA-O 3.25Å; A849-M870 WeakPolarHBondContact CA-O 3.44Å; Q850-M870 PolarHBondContact N-O 2.81Å; Q850-M870 PolarHBondContact O-N 2.91Å; F852-M870 HydrophobicContact CD1-CE 3.42Å; F852-M870 VanDerWaalsContact CD1-CE 3.42Å; F852-M870 HydrophobicContact CD1-CG 4.35Å; F852-M870 HydrophobicContact CE1-CE 3.55Å; F852-M870 HydrophobicContact CG-CE 4.07Å; F852-M870 HydrophobicContact CZ-CE 4.29Å
871	K	92.1	Very high	81.1	Confident	28 Å²	28	59.1 Å²	59.1	12%	0.122	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135	170.6	52.8	-156	167.9	-150.3	0	111.1	I748 E749 E751 A849	I748-K871 WeakPolarHBondContact CA-O 3.28Å; E749-K871 HydrophobicContact CB-CG 3.97Å; E749-K871 PolarHBondContact N-O 3.15Å; E749-K871 PolarHBondContact O-N 2.98Å; E749-K871 WeakPolarHBondContact OE2-CE 3.21Å; E751-K871 IonicContact OE1-NZ 2.75Å; E751-K871 PolarHBondContact OE1-NZ 3.06Å; A849-K871 HydrophobicContact CB-CB 4.38Å; A849-K871 HydrophobicContact CB-CD 4.26Å
872	V	92.9	Very high	79.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	102.3	167.5	-170.8	0	0	0	0	108.6	Y747 I748 L816 L841 M844 I845 G846 V874	Y747-V872 CarbonylContact O-C 3.49Å; Y747-V872 WeakPolarHBondContact O-CA 3.44Å; I748-V872 HydrophobicContact CG1-CG1 4.26Å; I748-V872 HydrophobicContact CG1-CG2 4.19Å; I748-V872 HydrophobicContact CG2-CG2 4.24Å; L816-V872 HydrophobicContact CD1-CG1 4.11Å; L841-V872 HydrophobicContact CB-CG2 4.41Å; L841-V872 HydrophobicContact CD1-CG2 4.27Å; L841-V872 HydrophobicContact CD2-CG2 3.94Å; L841-V872 HydrophobicContact CG-CG2 4.44Å; M844-V872 HydrophobicContact CB-CG2 4.12Å; M844-V872 PolarHBondContact O-N 2.96Å; I845-V872 HydrophobicContact CB-CB 4.47Å; I845-V872 HydrophobicContact CG1-CB 4.15Å; I845-V872 HydrophobicContact CG1-CG1 4.49Å; I845-V872 HydrophobicContact CG1-CG2 4.49Å; G846-V872 PolarHBondContact N-O 3.38Å; V872-V874 HydrophobicContact CG1-CG2 4.4Å
873	R	88.4	Confident	77.7	Confident	112 Å²	112	61.7 Å²	61.7	42%	0.423	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.7	175.9	-75.6	-177.3	161.1	161.7	-12.2	110.4	A746 Y747 E749	A746-R873 VanDerWaalsContact CA-O 3.24Å; A746-R873 WeakPolarHBondContact CA-O 3.46Å; A746-R873 WeakPolarHBondContact CB-O 3.48Å; Y747-R873 PolarHBondContact N-O 3.09Å; Y747-R873 PolarHBondContact O-N 2.86Å; E749-R873 IonicContact OE1-CZ 3.12Å; E749-R873 IonicContact OE1-NH1 3.47Å; E749-R873 PolarHBondContact OE1-NH1 3.31Å; E749-R873 WeakPolarHBondContact OE2-CD 3.39Å; E749-R873 IonicContact OE2-CZ 3.93Å; E749-R873 IonicContact OE2-NE 3.71Å; E749-R873 PolarHBondContact OE2-NE 2.89Å; E749-R873 IonicContact OE2-NH1 2.66Å; E749-R873 PolarHBondContact OE2-NH1 3.27Å
874	V	84.4	Confident	76.2	Confident	35 Å²	35	61.8 Å²	61.8	21%	0.212	31%	0.313	C	S	.	.			trans	-131.5	138.5	180	178.5	0	0	0	0	109.8	A746 A811 I813 L816 I845 V872	A746-V874 HydrophobicContact CB-CG2 4.36Å; A811-V874 WeakPolarHBondContact O-CG1 3.44Å; I813-V874 HydrophobicContact CD1-CG1 4.38Å; I813-V874 HydrophobicContact CG1-CB 4.42Å; I813-V874 HydrophobicContact CG1-CG1 3.81Å; I813-V874 HydrophobicContact CG1-CG2 4.46Å; L816-V874 HydrophobicContact CD1-CG2 3.61Å; I845-V874 HydrophobicContact CG2-CG2 4Å; V872-V874 HydrophobicContact CG1-CG2 4.4Å
875	P	72.6	Confident	74.5	Confident	42 Å²	42	61.8 Å²	61.8	27%	0.273	31%	0.311	S	S	.	.			trans	-58.6	139.9	175.2	-26.3	35.7	0	0	0	113.8	E877	P875-E877 PolarHBondContact O-N 3.42Å
876	T	58	Low	72.7	Confident	119 Å²	119	61 Å²	61	73%	0.73	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.7	-163.9	-35.2	0	0	0	0	115.7	R878 L879	T876-R878 PolarHBondContact O-N 2.77Å; T876-L879 HydrophobicContact CG2-CD1 4.42Å
877	E	54	Low	71.2	Confident	189 Å²	189	65.1 Å²	65.1	88%	0.883	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.3	-169	-60.4	-168.1	161	0	0	115	P875	P875-E877 PolarHBondContact O-N 3.42Å
878	R	53.3	Low	70	Confident	94 Å²	94	59.9 Å²	59.9	36%	0.355	31%	0.305	S	S	.	.			trans	-116.7	44.4	-173.8	-54.9	-165.1	-163.5	176.6	12.3	114.2	D744 D812 I813 T876 G880	D744-R878 IonicContact OD2-NH2 3.21Å; D812-R878 WeakPolarHBondContact OD1-CD 3Å; D812-R878 IonicContact OD1-CZ 2.72Å; D812-R878 IonicContact OD1-NE 3.72Å; D812-R878 IonicContact OD1-NH1 2.67Å; D812-R878 PolarHBondContact OD1-NH1 3.04Å; D812-R878 IonicContact OD2-NH1 2.92Å; D812-R878 PolarHBondContact OD2-NH1 2.74Å; I813-R878 WeakPolarHBondContact CD1-O 3.3Å; T876-R878 PolarHBondContact O-N 2.77Å; R878-G880 PolarHBondContact O-N 2.78Å
879	L	49.7	Very low	69	Low	116 Å²	116	61.1 Å²	61.1	61%	0.607	31%	0.309	S	S	*	.			trans	-76.7	34.7	178.4	-75.8	164.5	0	0	0	114.5	I813 T876	I813-L879 HydrophobicContact CD1-CD2 4.21Å; T876-L879 HydrophobicContact CG2-CD1 4.42Å
880	G	47.3	Very low	68.1	Low	48 Å²	48	62 Å²	62	50%	0.495	32%	0.315	S	S	.	.			trans	-106.5	133.2	172.6	0	0	0	0	0	110.6	R878	R878-G880 PolarHBondContact O-N 2.78Å
881	T	50.8	Low	67.3	Low	84 Å²	84	66.9 Å²	66.9	52%	0.515	34%	0.34	S	S	.	.			trans	-136.8	122.6	174.4	53.4	0	0	0	0	110.1	I813 E814	I813-T881 HydrophobicContact CB-CG2 4.38Å; I813-T881 HydrophobicContact CG2-CG2 3.86Å; E814-T881 HydrophobicContact CG-CG2 4.48Å; E814-T881 WeakPolarHBondContact OE1-CA 3.37Å
882	R	57.4	Low	66.6	Low	93 Å²	93	68.2 Å²	68.2	35%	0.351	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-64.5	127	175.1	-176.7	169.9	107.1	177	7.7	111.4	Q418 D422 E814 R884	Q418-R882 VanDerWaalsContact NE2-CZ 3.33Å; D422-R882 IonicContact OD1-CZ 2.67Å; D422-R882 IonicContact OD1-NH2 2.68Å; D422-R882 PolarHBondContact OD1-NH2 2.64Å; D422-R882 IonicContact OD2-CZ 3.21Å; D422-R882 IonicContact OD2-NE 2.74Å; D422-R882 IonicContact OD2-NH2 2.67Å; D422-R882 PolarHBondContact OD2-NH2 2.9Å; E814-R882 WeakPolarHBondContact OE1-CB 3.44Å; E814-R882 PolarHBondContact OE1-N 2.95Å; R882-R884 PolarHBondContact O-N 2.65Å
883	E	56.3	Low	64.5	Low	123 Å²	123	77 Å²	77	58%	0.575	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-60.4	122.2	168.9	-68.6	-178.6	173.2	0	0	109.7	R365	R365-E883 IonicContact NH1-OE1 3.76Å
884	R	64.2	Low	62.2	Low	18 Å²	18	75.9 Å²	75.9	7%	0.068	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-85.2	154.3	-177.2	-57.7	-179.1	-178.2	-176.4	-4.8	112.7	E814 D818 R882 Y886 E887	E814-R884 PolarHBondContact O-NH2 2.84Å; D818-R884 IonicContact OD1-CZ 2.72Å; D818-R884 IonicContact OD1-NH1 3Å; D818-R884 PolarHBondContact OD1-NH1 3.23Å; D818-R884 IonicContact OD1-NH2 2.76Å; D818-R884 PolarHBondContact OD1-NH2 3.23Å; D818-R884 IonicContact OD2-CZ 2.68Å; D818-R884 IonicContact OD2-NH1 2.65Å; D818-R884 IonicContact OD2-NH2 3.18Å; D818-R884 PolarHBondContact OD2-NH2 3.28Å; R882-R884 PolarHBondContact O-N 2.65Å; R884-Y886 HydrophobicContact CB-CD1 4.28Å; R884-Y886 HydrophobicContact CB-CE1 4.05Å; R884-Y886 HydrophobicContact CB-CE2 4.46Å; R884-Y886 WeakPolarHBondContact CD-OH 3.47Å; R884-Y886 PolarHBondContact NH1-OH 2.96Å; R884-Y886 PolarHBondContact O-N 3.31Å; R884-Y886 VanDerWaalsContact O-N 3.07Å; R884-E887 HydrophobicContact CB-CB 4.44Å; R884-E887 HydrophobicContact CB-CG 4.05Å; R884-E887 WeakPolarHBondContact CB-OE2 3.31Å; R884-E887 WeakPolarHBondContact CG-OE2 3.46Å; R884-E887 PolarHBondContact N-OE2 3.05Å; R884-E887 PolarHBondContact O-N 3.22Å; R884-E887 VanDerWaalsContact O-N 3.13Å
885	L	59.6	Low	59.8	Low	6 Å²	6	82.2 Å²	82.2	3%	0.031	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.9	-175.1	-68.9	164.7	0	0	0	115.5	K412 N413 D422 M423 W888	K412-L885 HydrophobicContact CB-CD2 4.2Å; K412-L885 HydrophobicContact CD-CD2 3.89Å; K412-L885 HydrophobicContact CG-CD2 3.67Å; N413-L885 HydrophobicContact CB-CD1 4.48Å; N413-L885 WeakPolarHBondContact OD1-CD1 3.23Å; D422-L885 HydrophobicContact CB-CB 4.3Å; D422-L885 HydrophobicContact CB-CD1 4.23Å; M423-L885 HydrophobicContact CE-CB 3.9Å; M423-L885 VanDerWaalsContact CE-O 3.26Å; M423-L885 WeakPolarHBondContact CE-O 3.48Å; L885-W888 VanDerWaalsContact C-CD1 3.45Å; L885-W888 PolarHBondContact O-NE1 3.21Å
886	Y	59.8	Low	57.9	Low	28 Å²	28	84.4 Å²	84.4	11%	0.11	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-32.9	165.9	42.9	-83.5	0	0	0	113.8	M423 H701 R884 W888 I889	M423-Y886 HydrophobicContact CG-CD1 3.62Å; M423-Y886 HydrophobicContact CG-CE1 4.29Å; M423-Y886 HydrophobicContact SD-CD1 3.83Å; M423-Y886 HydrophobicContact SD-CG 4.25Å; H701-Y886 HydrophobicContact CB-CD1 4.35Å; H701-Y886 HydrophobicContact CB-CD2 3.79Å; H701-Y886 HydrophobicContact CB-CE1 4.35Å; H701-Y886 HydrophobicContact CB-CE2 3.81Å; H701-Y886 HydrophobicContact CB-CG 4.07Å; H701-Y886 AromaticContact CD2-CG 3.96Å; H701-Y886 VanDerWaalsContact CE1-CB 3.48Å; H701-Y886 WeakPolarHBondContact CE1-CB 3.5Å; H701-Y886 AromaticContact CG-CD2 3.79Å; H701-Y886 AromaticContact CG-CG 3.71Å; H701-Y886 AromaticContact ND1-CD2 3.83Å; H701-Y886 AromaticContact ND1-CG 3.88Å; R884-Y886 HydrophobicContact CB-CD1 4.28Å; R884-Y886 HydrophobicContact CB-CE1 4.05Å; R884-Y886 HydrophobicContact CB-CE2 4.46Å; R884-Y886 WeakPolarHBondContact CD-OH 3.47Å; R884-Y886 PolarHBondContact NH1-OH 2.96Å; R884-Y886 PolarHBondContact O-N 3.31Å; R884-Y886 VanDerWaalsContact O-N 3.07Å; Y886-W888 PolarHBondContact O-N 3.03Å; Y886-W888 VanDerWaalsContact O-N 3.16Å; Y886-I889 PolarHBondContact O-N 3.3Å
887	E	67.3	Low	57	Low	87 Å²	87	82.4 Å²	82.4	41%	0.407	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.7	-172	-65.9	175.6	152	0	0	113.5	K842 R884 I889	K842-E887 IonicContact NZ-OE1 2.87Å; K842-E887 PolarHBondContact NZ-OE1 3.5Å; R884-E887 HydrophobicContact CB-CB 4.44Å; R884-E887 HydrophobicContact CB-CG 4.05Å; R884-E887 WeakPolarHBondContact CB-OE2 3.31Å; R884-E887 WeakPolarHBondContact CG-OE2 3.46Å; R884-E887 PolarHBondContact N-OE2 3.05Å; R884-E887 PolarHBondContact O-N 3.22Å; R884-E887 VanDerWaalsContact O-N 3.13Å; E887-I889 PolarHBondContact O-N 3.23Å
888	W	71.8	Confident	55.6	Low	11 Å²	11	76.6 Å²	76.6	4%	0.042	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.3	168.4	80.9	-62.5	0	0	0	114.3	I364 R365 Q366 L367 L408 Q409 K412 L885 Y886	I364-W888 HydrophobicContact CB-CZ3 4.25Å; I364-W888 HydrophobicContact CG2-CZ3 3.78Å; R365-W888 WeakPolarHBondContact O-CB 3.49Å; Q366-W888 CarbonylContact C-O 3.57Å; Q366-W888 VanDerWaalsContact CA-O 3.29Å; Q366-W888 WeakPolarHBondContact CA-O 3.43Å; Q366-W888 WeakPolarHBondContact CG-O 3.34Å; L367-W888 HydrophobicContact CD1-CH2 3.65Å; L367-W888 HydrophobicContact CD1-CZ2 4.07Å; L367-W888 HydrophobicContact CD1-CZ3 4.05Å; L367-W888 HydrophobicContact CD2-CH2 4.2Å; L367-W888 HydrophobicContact CD2-CZ3 3.89Å; L367-W888 HydrophobicContact CG-CE3 4.05Å; L367-W888 HydrophobicContact CG-CH2 3.71Å; L367-W888 HydrophobicContact CG-CZ2 4.37Å; L367-W888 HydrophobicContact CG-CZ3 3.55Å; L367-W888 PolarHBondContact N-O 2.64Å; L408-W888 HydrophobicContact CB-CH2 3.91Å; Q409-W888 HydrophobicContact CG-CZ2 3.85Å; K412-W888 HydrophobicContact CD-CD2 3.97Å; K412-W888 HydrophobicContact CD-CE3 4.25Å; K412-W888 HydrophobicContact CD-CG 4.48Å; K412-W888 HydrophobicContact CD-CH2 4.31Å; K412-W888 HydrophobicContact CD-CZ2 4.01Å; K412-W888 HydrophobicContact CD-CZ3 4.4Å; L885-W888 VanDerWaalsContact C-CD1 3.45Å; L885-W888 PolarHBondContact O-NE1 3.21Å; Y886-W888 PolarHBondContact O-N 3.03Å; Y886-W888 VanDerWaalsContact O-N 3.16Å
889	I	75.9	Confident	55	Low	34 Å²	34	83 Å²	83	17%	0.174	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.8	169.8	-55.2	-167.5	0	0	0	108.8	L367 K369 C405 Q409 Y886 E887	L367-I889 HydrophobicContact CB-CG1 4.2Å; L367-I889 HydrophobicContact CD1-CD1 3.95Å; L367-I889 HydrophobicContact CD1-CG1 4.14Å; L367-I889 HydrophobicContact CG-CG1 4.39Å; L367-I889 WeakPolarHBondContact O-CA 3.49Å; K369-I889 HydrophobicContact CD-CG2 4.08Å; K369-I889 HydrophobicContact CG-CG2 4.27Å; C405-I889 HydrophobicContact CB-CD1 4.49Å; Q409-I889 HydrophobicContact CG-CD1 3.64Å; Y886-I889 PolarHBondContact O-N 3.3Å; E887-I889 PolarHBondContact O-N 3.23Å
890	S	79.1	Confident	53.9	Low	33 Å²	33	82.3 Å²	82.3	23%	0.231	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	163.5	176.1	61.3	0	0	0	0	112	Q366 L367 I368 K369	Q366-S890 PolarHBondContact NE2-OG 3.43Å; L367-S890 PolarHBondContact O-N 2.92Å; L367-S890 PolarHBondContact O-OG 3.43Å; I368-S890 CarbonylContact C-O 3.55Å; I368-S890 WeakPolarHBondContact CA-O 3.41Å; K369-S890 PolarHBondContact N-O 3.14Å
891	I	78.1	Confident	53.2	Low	104 Å²	104	89.9 Å²	89.9	53%	0.533	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.5	167.6	-60.3	176.2	0	0	0	107.3	K369 Q371 K893	K369-I891 HydrophobicContact CB-CG1 4.43Å; K369-I891 WeakPolarHBondContact O-CA 3.46Å; Q371-I891 HydrophobicContact CB-CG2 3.86Å; Q371-I891 HydrophobicContact CG-CG2 4.45Å; I891-K893 PolarHBondContact O-N 2.91Å; I891-K893 VanDerWaalsContact O-N 3.12Å
892	D	77.8	Confident	51.9	Low	57 Å²	57	90.2 Å²	90.2	31%	0.305	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	109.9	177.5	-129.3	-21.5	0	0	0	108.6	I368 K369 R390	I368-D892 HydrophobicContact CG2-CB 3.9Å; K369-D892 PolarHBondContact O-N 3.01Å; R390-D892 IonicContact CZ-OD2 3.8Å; R390-D892 IonicContact NH1-OD1 3.87Å; R390-D892 IonicContact NH1-OD2 2.66Å; R390-D892 PolarHBondContact NH1-OD2 3.02Å; R390-D892 IonicContact NH2-OD2 2.66Å; R390-D892 PolarHBondContact NH2-OD2 2.81Å
893	K	47.9	Very low	50.6	Low	184 Å²	184	91.3 Å²	91.3	80%	0.8	51%	0.51	S	S	*	.			trans	-84.1	137.3	180	-69.9	-172.8	177.7	-176.6	0	110.3	I891 E895	I891-K893 PolarHBondContact O-N 2.91Å; I891-K893 VanDerWaalsContact O-N 3.12Å; K893-E895 PolarHBondContact O-N 3.34Å; K893-E895 VanDerWaalsContact O-N 3.08Å
894	D	42	Very low	49.1	Very low	88 Å²	88	90.7 Å²	90.7	47%	0.471	52%	0.52	S	S	.	.			trans	-67.6	104	-171.8	-100.6	13.7	0	0	0	113.9	R372 A896	R372-D894 IonicContact CZ-OD1 3.58Å; R372-D894 IonicContact CZ-OD2 2.75Å; R372-D894 VanDerWaalsContact CZ-OD2 3.27Å; R372-D894 VanDerWaalsContact NE-CG 3.29Å; R372-D894 IonicContact NE-OD1 3.87Å; R372-D894 PolarHBondContact NE-OD1 2.81Å; R372-D894 IonicContact NE-OD2 3.58Å; R372-D894 PolarHBondContact NE-OD2 2.83Å; R372-D894 IonicContact NH2-OD1 3.38Å; R372-D894 PolarHBondContact NH2-OD1 2.97Å; R372-D894 IonicContact NH2-OD2 2.83Å; R372-D894 PolarHBondContact NH2-OD2 2.85Å; D894-A896 VanDerWaalsContact C-N 3.25Å; D894-A896 PolarHBondContact O-N 2.79Å
895	E	33.9	Very low	47.3	Very low	168 Å²	168	96.2 Å²	96.2	79%	0.785	56%	0.555	S	S	*	*			trans	-69.2	78.4	165.7	-102.4	-74	147.4	0	0	110.5	K893 G897	K893-E895 PolarHBondContact O-N 3.34Å; K893-E895 VanDerWaalsContact O-N 3.08Å; E895-G897 PolarHBondContact O-N 3.11Å
896	A	31.3	Very low	45.7	Very low	89 Å²	89	100.7 Å²	100.7	74%	0.736	59%	0.587	S	S	*	*			trans	-76.9	57.8	179.1	0	0	0	0	0	113.2	D894 A898	D894-A896 VanDerWaalsContact C-N 3.25Å; D894-A896 PolarHBondContact O-N 2.79Å; A896-A898 PolarHBondContact O-N 2.81Å
897	G	39	Very low	44.3	Very low	77 Å²	77	110 Å²	110	79%	0.794	62%	0.622	S	S	*	*	S	Bend	trans	72.7	33	153	0	0	0	0	0	118.1	E895	E895-G897 PolarHBondContact O-N 3.11Å
898	A	26.2	Very low	42.3	Very low	67 Å²	67	109.1 Å²	109.1	55%	0.554	64%	0.636	S	S	*	*			trans	-114	103.2	176.5	0	0	0	0	0	112.6	A896 S900	A896-A898 PolarHBondContact O-N 2.81Å; A898-S900 PolarHBondContact O-N 3.36Å
899	K	38.9	Very low	40.4	Very low	227 Å²	227	116.5 Å²	116.5	99%	0.987	68%	0.675	S	S	*	*			trans	-71.4	71.6	172	-77.4	-172.7	176.7	177.6	0	112.3
900	S	27.9	Very low	38	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	71%	0.708	S	S	*	*			trans	-95	148.6	162.4	74.1	0	0	0	0	110.2	A898 A902	A898-S900 PolarHBondContact O-N 3.36Å; S900-A902 PolarHBondContact O-N 3.31Å
901	K	31.3	Very low	35.6	Very low	207 Å²	207	130.7 Å²	130.7	90%	0.9	74%	0.737	S	S	*	*			trans	-86.2	104.6	176.7	-76.4	-177.2	176.6	178.8	0	109.9
902	A	24.7	Very low	33.4	Very low	91 Å²	91	131.3 Å²	131.3	75%	0.752	75%	0.748	S	S	*	*			trans	-63.7	133.6	162	0	0	0	0	0	109.9	S900	S900-A902 PolarHBondContact O-N 3.31Å
903	P	29.6	Very low	31	Very low	115 Å²	115	140.8 Å²	140.8	75%	0.747	78%	0.779	S	S	*	*			trans	-77.5	126.5	177.3	30.2	-33	0	0	0	110.9	V905	P903-V905 PolarHBondContact O-N 3.14Å
904	S	24.4	Very low	30.2	Very low	110 Å²	110	137.5 Å²	137.5	77%	0.769	78%	0.78	S	S	*	*			trans	-75.2	102.6	174.9	55.4	0	0	0	0	110.9	S906	S904-S906 VanDerWaalsContact C-N 3.27Å; S904-S906 PolarHBondContact O-N 3.36Å
905	V	27.1	Very low	29.5	Very low	135 Å²	135	136.4 Å²	136.4	82%	0.818	79%	0.789	S	S	*	*			trans	-77.9	77	175.9	-173.1	0	0	0	0	110.3	P903 R907	P903-V905 PolarHBondContact O-N 3.14Å; V905-R907 PolarHBondContact O-N 3.2Å
906	S	26.1	Very low	29.2	Very low	100 Å²	100	134 Å²	134	70%	0.699	79%	0.791	S	S	*	*			trans	-74.6	111.7	169.7	54.1	0	0	0	0	110.3	S904 G908	S904-S906 VanDerWaalsContact C-N 3.27Å; S904-S906 PolarHBondContact O-N 3.36Å; S906-G908 VanDerWaalsContact C-N 3.31Å; S906-G908 PolarHBondContact O-N 3.04Å
907	R	29.5	Very low	29.2	Very low	222 Å²	222	141.5 Å²	141.5	84%	0.838	80%	0.8	S	S	*	*			trans	-66.8	87.6	168.6	-92	-176.1	166.7	172.7	-3.4	110.2	V905	V905-R907 PolarHBondContact O-N 3.2Å
908	G	25.1	Very low	28.6	Very low	69 Å²	69	147.3 Å²	147.3	71%	0.711	80%	0.804	S	S	*	*			trans	-89.9	116.9	170.4	0	0	0	0	0	111.2	S906	S906-G908 VanDerWaalsContact C-N 3.31Å; S906-G908 PolarHBondContact O-N 3.04Å
909	I	31.5	Very low	29.6	Very low	166 Å²	166	149.7 Å²	149.7	85%	0.851	81%	0.814	S	S	*	*			trans	-84.1	124.2	164.8	-62.4	172.5	0	0	0	107.6
910	Q	27	Very low	29	Very low	185 Å²	185	143.7 Å²	143.7	86%	0.864	81%	0.806	S	S	*	*			trans	-141	120.3	163.3	-74.8	-167.7	-0.3	0	0	110.5
911	E	27.8	Very low	28.9	Very low	180 Å²	180	148 Å²	148	84%	0.841	81%	0.812	S	S	*	*			trans	-74	152.7	154.3	-68.4	-169.8	124.9	0	0	110
912	P	32.5	Very low	28.8	Very low	118 Å²	118	143.6 Å²	143.6	77%	0.766	80%	0.802	S	S	*	*			trans	-86.9	127.9	-178.8	32.8	-32.9	0	0	0	112.6
913	R	27.4	Very low	28.8	Very low	255 Å²	255	148.1 Å²	148.1	96%	0.962	81%	0.808	S	S	*	*			trans	-164	163.6	139.9	-108.2	151	-164.6	-157.6	2.8	114.3
914	S	30.6	Very low	28.7	Very low	116 Å²	116	146.9 Å²	146.9	81%	0.811	81%	0.807	S	S	*	*			trans	-95.4	152.5	-162.6	52.5	0	0	0	0	114.9
915	G	26.8	Very low	28.7	Very low	65 Å²	65	146.4 Å²	146.4	67%	0.67	80%	0.804	S	S	*	*				118	106.3	127.6	0	0	0	0	0	119.5
916	S	28.9	Very low	28.6	Very low	117 Å²	117	145.8 Å²	145.8	82%	0.818	80%	0.804	S	S	*	*			trans	67.9	119.3	142.9	59.5	0	0	0	0	123.4
917	R	29.9	Very low	29.5	Very low	247 Å²	247	146.1 Å²	146.1	93%	0.932	80%	0.804	S	S	*	*			trans	53.1	107.2	135.9	-69.6	-177.1	170.5	171.4	-3.3	122.3
918	K	27.1	Very low	29.3	Very low	199 Å²	199	143 Å²	143	87%	0.865	80%	0.803	S	S	*	*				-5.5	164.5	128.6	-74.8	-173	177.3	-175.3	0	119
919	P	47.2	Very low	29.3	Very low	117 Å²	117	143.9 Å²	143.9	76%	0.76	80%	0.799	S	S	*	*			cis	-143.4	173	-30.4	40.2	-23.6	0	0	0	115
920	A	26.6	Very low	29	Very low	100 Å²	100	146.7 Å²	146.7	83%	0.826	80%	0.799	S	S	*	*			trans	177.8	161.9	135.8	0	0	0	0	0	115.7
921	F	26.3	Very low	28.9	Very low	195 Å²	195	143.6 Å²	143.6	86%	0.855	79%	0.787	S	S	*	*			trans	-46.4	170.9	-177.2	-83	-97.4	0	0	0	123.8
922	T	27.9	Very low	28.8	Very low	113 Å²	113	143.1 Å²	143.1	69%	0.693	78%	0.783	S	S	*	*			trans	77.3	104.1	147.5	36	0	0	0	0	122.7
923	E	26.2	Very low	28.3	Very low	187 Å²	187	146.5 Å²	146.5	87%	0.874	79%	0.788	S	S	*	*				59.4	158.2	123.3	-64.9	-166.5	131	0	0	124.8
924	A	26.1	Very low	28.3	Very low	88 Å²	88	143 Å²	143	73%	0.727	78%	0.783	S	S	*	*			trans	75.5	86.6	154.5	0	0	0	0	0	121.3
925	S	24.3	Very low	28.8	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	78%	0.777	S	S	*	*				45.8	121	122.4	63.4	0	0	0	0	123.1
926	C	24.9	Very low	28.7	Very low	122 Å²	122	148.4 Å²	148.4	82%	0.824	79%	0.787	S	S	*	*			trans	72	174.9	136.2	-55.4	0	0	0	0	116.9
927	P	46.3	Very low	28.7	Very low	107 Å²	107	152.1 Å²	152.1	70%	0.695	79%	0.789	S	S	*	*				-137.4	174	-85.7	40.3	-22.5	0	0	0	116.2
928	L	25.3	Very low	29.6	Very low	156 Å²	156	145.8 Å²	145.8	82%	0.817	78%	0.779	S	S	*	*			trans	48.4	109.4	144.8	-84.5	163.1	0	0	0	119.5
929	S	24.1	Very low	31.1	Very low	89 Å²	89	141.5 Å²	141.5	62%	0.622	77%	0.772	S	S	*	*				152.1	133.7	107.2	-72.4	0	0	0	0	114.8
930	R	26.4	Very low	31.5	Very low	224 Å²	224	140.8 Å²	140.8	85%	0.845	77%	0.767	S	S	*	*			trans	59.1	152.8	134.1	-60.8	176.9	-179.5	-168.6	-0	119
931	L	23.6	Very low	31.9	Very low	120 Å²	120	142.8 Å²	142.8	63%	0.628	77%	0.769	S	S	*	*			cis	-165.6	164.1	-12.5	-112.9	169.2	0	0	0	109.4
932	F	25.6	Very low	32.1	Very low	171 Å²	171	137 Å²	137	75%	0.75	77%	0.765	S	S	*	*			trans	74.3	138.7	154.7	-75.9	-59	0	0	0	123.9
933	E	23.4	Very low	32.4	Very low	188 Å²	188	143.9 Å²	143.9	88%	0.879	78%	0.778	S	S	*	*			trans	82.9	148.8	143.9	-74.5	175.1	139.9	0	0	124.2
934	E	27.1	Very low	33.9	Very low	183 Å²	183	140.4 Å²	140.4	86%	0.855	77%	0.772	S	S	*	*			trans	-88	-174.5	-177.2	-101.4	-163.2	137.4	0	0	111.1
935	P	40.2	Very low	35.3	Very low	105 Å²	105	142.2 Å²	142.2	68%	0.682	78%	0.776	S	S	*	*			cis	-146.7	-174.9	20.9	41.7	-19.4	0	0	0	119.3
936	E	24.5	Very low	35.9	Very low	188 Å²	188	141.6 Å²	141.6	88%	0.879	78%	0.777	S	S	*	*			trans	85.9	-179.9	141.7	-93.4	-175.8	159.5	0	0	124
937	K	29.5	Very low	37.7	Very low	196 Å²	196	141.5 Å²	141.5	85%	0.852	78%	0.775	S	S	*	*			trans	-147.6	-170.4	-146.1	-112.9	175.4	-176.1	168.3	0	109.2
938	P	48.3	Very low	38.2	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	78%	0.777	S	S	*	*			cis	-126.1	-114	-23.8	28.4	-6.1	0	0	0	114.8
939	P	59.5	Low	38.8	Very low	110 Å²	110	146.1 Å²	146.1	71%	0.714	78%	0.782	S	S	*	*				-106.1	-150.1	-104.2	39.9	-20.9	0	0	0	113.4
940	P	56.4	Low	39.1	Very low	102 Å²	102	147 Å²	147	66%	0.662	80%	0.795	S	S	*	*			cis	-143.3	169.9	-4.3	41.7	-21.4	0	0	0	120.3
941	T	33.5	Very low	39.5	Very low	142 Å²	142	141 Å²	141	87%	0.871	79%	0.793	S	S	*	*			trans	59	148	147.8	48.5	0	0	0	0	123.2
942	G	31.3	Very low	41.2	Very low	74 Å²	74	141 Å²	141	76%	0.763	80%	0.8	S	S	*	*			cis	162.7	156.9	-13.3	0	0	0	0	0	118
943	R	33.9	Very low	41.5	Very low	256 Å²	256	142.6 Å²	142.6	97%	0.966	80%	0.801	S	S	*	*			trans	99.3	144	161.3	-77.8	-166.4	162.6	-168.1	-5.1	123.7
944	P	57.5	Low	41.7	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	79%	0.792	S	S	*	*			trans	-111.6	-165.4	-170.3	49.3	-37.6	0	0	0	113.1
945	P	56.8	Low	41.9	Very low	126 Å²	126	140 Å²	140	82%	0.818	79%	0.79	S	S	*	*			cis	-134.5	-149.5	33.7	34.1	-6.2	0	0	0	114.3
946	A	36.3	Very low	42.2	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	79%	0.787	S	S	*	*			cis	-160.9	173.8	10.5	0	0	0	0	0	114.9
947	P	61.9	Low	42.4	Very low	120 Å²	120	138.3 Å²	138.3	78%	0.779	79%	0.785	S	S	*	*			trans	-112.5	-158.6	178.7	45.4	-34.8	0	0	0	113.1
948	P	58.2	Low	42.5	Very low	114 Å²	114	134.9 Å²	134.9	74%	0.74	78%	0.781	S	S	*	*			cis	-144.4	170.6	-0.7	44.7	-24.8	0	0	0	120.7
949	R	37.8	Very low	42.3	Very low	246 Å²	246	135 Å²	135	93%	0.928	78%	0.782	S	S	*	*			trans	21.7	143.3	144.2	-66.5	179.1	165.2	176.3	-5.5	126.3
950	A	29.8	Very low	40.8	Very low	108 Å²	108	140.6 Å²	140.6	89%	0.893	79%	0.788	S	S	*	*				-176.3	167.3	124	0	0	0	0	0	115
951	A	34.5	Very low	39.5	Very low	98 Å²	98	143 Å²	143	81%	0.81	80%	0.795	S	S	*	*			trans	-169.4	-172.3	177.5	0	0	0	0	0	110.1
952	P	58.4	Low	39.4	Very low	119 Å²	119	144.3 Å²	144.3	77%	0.773	79%	0.789	S	S	*	*			cis	-139.2	-140.5	-2.7	43.5	-20.5	0	0	0	114.5
953	R	32.3	Very low	40	Very low	205 Å²	205	146.6 Å²	146.6	77%	0.774	79%	0.79	S	S	*	*			trans	80.5	153.9	164.6	-89.4	-173.3	152.6	-164.3	-24.1	119.7
954	E	29.1	Very low	39.8	Very low	148 Å²	148	143 Å²	143	69%	0.692	78%	0.784	S	S	*	*			cis	-157.3	-143.7	-14.9	-155.4	149.2	-118.9	0	0	113.3
955	E	29.9	Very low	38.3	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	79%	0.789	S	S	*	*			trans	-135.1	-158.3	-169.9	-134.7	-152.2	98.7	0	0	111.7
956	P	47.3	Very low	37.1	Very low	98 Å²	98	140.3 Å²	140.3	64%	0.636	79%	0.79	S	S	*	*			cis	-143.2	-166.8	1.7	44.9	-23.3	0	0	0	119.6
957	L	28.6	Very low	37.2	Very low	158 Å²	158	142.3 Å²	142.3	83%	0.827	80%	0.795	S	S	*	*			trans	90.4	158.1	150.3	-77.2	173.1	0	0	0	125
958	T	31.2	Very low	35.7	Very low	124 Å²	124	145.1 Å²	145.1	76%	0.761	80%	0.798	S	S	*	*			trans	-136	160.8	175.6	71.3	0	0	0	0	110.4
959	P	44.8	Very low	35.1	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	80%	0.796	S	S	*	*				-166.5	170.3	84.5	44.8	-23.1	0	0	0	120.9
960	R	27.4	Very low	34.7	Very low	227 Å²	227	142.2 Å²	142.2	86%	0.857	80%	0.795	S	S	*	*			trans	53.5	132.6	141	-87.3	-174.2	164.8	-176	-3	126.6
961	L	30	Very low	34.5	Very low	152 Å²	152	140.6 Å²	140.6	80%	0.796	79%	0.788	S	S	*	*				108.3	155.3	127.5	-81.6	169.9	0	0	0	124.1
962	K	30.2	Very low	34.4	Very low	171 Å²	171	143.4 Å²	143.4	74%	0.743	80%	0.795	S	S	*	*			trans	-74.3	166.7	-170.1	-108.9	-176.2	-178.4	-165.9	0	114.3
963	P	43.4	Very low	32.9	Very low	122 Å²	122	142.6 Å²	142.6	79%	0.792	80%	0.799	S	S	*	*				-148.7	-157.3	67.5	42.8	-21.3	0	0	0	117
964	E	30.1	Very low	32.8	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	80%	0.798	S	S	*	*			trans	-96.3	167.4	-161.2	-60.3	154.9	115.3	0	0	115.2
965	G	27.3	Very low	32.9	Very low	82 Å²	82	136.4 Å²	136.4	85%	0.845	81%	0.805	S	S	*	*			trans	159.4	112.5	163.3	0	0	0	0	0	115.2
966	A	30.7	Very low	32.9	Very low	101 Å²	101	133.7 Å²	133.7	84%	0.835	80%	0.803	S	S	*	*			trans	-100.6	157.1	162	0	0	0	0	0	108.5
967	P	38.8	Very low	32.2	Very low	128 Å²	128	135.2 Å²	135.2	83%	0.831	81%	0.813	S	S	*	*				-143.2	179.4	62.7	39.6	-20.6	0	0	0	116.6
968	E	30.6	Very low	32.2	Very low	179 Å²	179	137.5 Å²	137.5	84%	0.836	82%	0.816	S	S	*	*			trans	-72.9	173.9	167.7	-97.6	-170.6	171.4	0	0	112.9
969	P	44.5	Very low	32	Very low	108 Å²	108	139 Å²	139	70%	0.701	82%	0.819	S	S	*	*			cis	-142.6	169.4	29.1	41.7	-21.6	0	0	0	120.5
970	E	29.5	Very low	31.1	Very low	192 Å²	192	138.4 Å²	138.4	90%	0.897	82%	0.817	S	S	*	*			trans	49.1	126.1	150.2	-69.3	-173.2	150.7	0	0	122.3
971	G	27	Very low	31.1	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	82%	0.819	S	S	*	*			trans	176.3	51.6	172.6	0	0	0	0	0	119.8
972	V	30.7	Very low	31.1	Very low	157 Å²	157	137.3 Å²	137.3	95%	0.952	82%	0.82	S	S	*	*			trans	63.1	120.8	163	-172.4	0	0	0	0	118.3
973	A	28.5	Very low	30.9	Very low	103 Å²	103	135.4 Å²	135.4	85%	0.851	82%	0.818	S	S	*	*			trans	-143	153.8	167.7	0	0	0	0	0	112.6
974	A	28.9	Very low	30.1	Very low	92 Å²	92	135.8 Å²	135.8	76%	0.76	82%	0.821	S	S	*	*			trans	-100.4	154.2	-177.1	0	0	0	0	0	113.1	P976	A974-P976 WeakPolarHBondContact O-CD 3.32Å
975	P	32.7	Very low	30	Very low	130 Å²	130	130.6 Å²	130.6	84%	0.844	81%	0.809	S	S	*	*			trans	-95.6	127.2	-170.8	34.7	-33.9	0	0	0	115.7
976	P	29.8	Very low	30.1	Very low	114 Å²	114	136.4 Å²	136.4	74%	0.74	81%	0.807	S	S	*	*			trans	-98	174.8	156.8	34.8	-27.8	0	0	0	112.2	A974	A974-P976 WeakPolarHBondContact O-CD 3.32Å
977	P	32	Very low	30.1	Very low	130 Å²	130	141.8 Å²	141.8	84%	0.844	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.2	154.5	-154.5	-14.1	29.1	0	0	0	116.9
978	K	27.9	Very low	29.7	Very low	206 Å²	206	142.5 Å²	142.5	90%	0.896	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-86.9	127.2	170.8	-66.3	-176.4	177	-176.5	0	111.7
979	N	26.9	Very low	29.8	Very low	156 Å²	156	141 Å²	141	83%	0.834	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72	148.6	158.5	-76.8	-25.6	0	0	0	109.9
980	S	27.1	Very low	29.1	Very low	102 Å²	102	144.3 Å²	144.3	71%	0.713	81%	0.812	S	S	*	*			trans	-129.3	116.3	172.7	-175.7	0	0	0	0	110
981	F	27.6	Very low	29	Very low	201 Å²	201	139 Å²	139	88%	0.882	81%	0.808	S	S	*	*			trans	-131.2	95.1	168.4	-87.2	-81.1	0	0	0	107.6
982	N	28.8	Very low	29.1	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	81%	0.809	S	S	*	*			trans	-84.4	129.2	168.2	-83.2	-1.1	0	0	0	109.2
983	N	26.4	Very low	29.2	Very low	132 Å²	132	139.8 Å²	139.8	71%	0.706	80%	0.801	S	S	*	*			trans	-115.7	103.8	-174	177	24.3	0	0	0	110.4	A985	N983-A985 PolarHBondContact O-N 2.57Å; N983-A985 VanDerWaalsContact O-N 3.11Å
984	P	27.4	Very low	29.3	Very low	130 Å²	130	144 Å²	144	84%	0.844	80%	0.802	S	S	*	*			trans	-86.1	75.5	-178.1	34.9	-33.8	0	0	0	111.3
985	A	27.1	Very low	29.3	Very low	72 Å²	72	148.9 Å²	148.9	60%	0.595	81%	0.81	S	S	*	*			trans	-142	34.2	-177	0	0	0	0	0	113.6	N983	N983-A985 PolarHBondContact O-N 2.57Å; N983-A985 VanDerWaalsContact O-N 3.11Å
986	Y	28.4	Very low	29.4	Very low	203 Å²	203	150.9 Å²	150.9	80%	0.796	81%	0.812	S	S	*	*	S	Bend	trans	-131.3	11.3	-173.2	-127.3	-88.5	0	0	0	115.4
987	Y	31	Very low	29.1	Very low	215 Å²	215	153.6 Å²	153.6	84%	0.843	82%	0.819	S	S	*	*			trans	-134.4	66.8	-176	-74.8	-69.2	0	0	0	113
988	V	31.1	Very low	29	Very low	142 Å²	142	152.6 Å²	152.6	86%	0.861	81%	0.813	S	S	*	*	S	Bend	trans	-145	41.2	163.7	-156.3	0	0	0	0	111.7
989	L	32	Very low	29.3	Very low	147 Å²	147	148.8 Å²	148.8	77%	0.77	81%	0.81	S	S	*	*	S	Bend	trans	-140.2	8	173.3	-83.4	-176.3	0	0	0	114.9	F793	F793-L989 HydrophobicContact CE2-CD1 4.39Å; F793-L989 HydrophobicContact CZ-CD1 4.44Å
990	E	29.6	Very low	29.2	Very low	179 Å²	179	150.3 Å²	150.3	84%	0.836	81%	0.812	S	S	*	*			trans	-128.2	132.7	171.8	-67.9	-174.8	152.3	0	0	109.5
991	G	28.7	Very low	29.4	Very low	80 Å²	80	150.2 Å²	150.2	83%	0.825	81%	0.809	S	S	*	*			trans	-123.4	108.3	-179.1	0	0	0	0	0	111.4
992	V	29.2	Very low	29.7	Very low	125 Å²	125	146.9 Å²	146.9	76%	0.758	81%	0.807	S	S	*	*			trans	-137.6	134.6	173.1	-178.7	0	0	0	0	107.1
993	P	32.8	Very low	29.7	Very low	122 Å²	122	145.1 Å²	145.1	79%	0.792	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79.3	145	-163.7	30.3	-36.2	0	0	0	113.9
994	H	30.1	Very low	30.3	Very low	190 Å²	190	144.9 Å²	144.9	88%	0.88	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-100.8	121.5	171.6	-78	-33.3	0	0	0	112.4
995	Q	28	Very low	30.4	Very low	196 Å²	196	143.6 Å²	143.6	92%	0.916	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.8	141.8	164.8	-66.2	176.4	-11.1	0	0	110.2
996	L	34.6	Very low	30.4	Very low	171 Å²	171	151.8 Å²	151.8	90%	0.895	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-86.6	125.3	176.3	-70.8	165.1	0	0	0	111.2
997	L	24.9	Very low	30.5	Very low	171 Å²	171	146.6 Å²	146.6	90%	0.895	83%	0.828	S	S	*	*			trans	-153.5	171.4	157.5	-97.3	-176.7	0	0	0	109.5
998	P	30.2	Very low	30.6	Very low	109 Å²	109	142.5 Å²	142.5	71%	0.708	83%	0.827	S	S	*	*	P	Polyproline II helix		-99.9	166.2	-129.7	38.6	-39.7	0	0	0	116.5
999	P	32.4	Very low	30.6	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80.2	140.6	175.2	32.6	-35.3	0	0	0	113.9
1000	E	26.5	Very low	30.8	Very low	187 Å²	187	140.5 Å²	140.5	87%	0.874	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-98.4	165.7	167.9	-100.1	-133.6	119.4	0	0	112.6
1001	P	30.7	Very low	31.2	Very low	101 Å²	101	138.1 Å²	138.1	66%	0.656	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-97.1	156.9	-151.2	36.4	-37.2	0	0	0	116.6
1002	P	33.7	Very low	31.5	Very low	131 Å²	131	138.5 Å²	138.5	85%	0.851	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77.5	151.9	169.4	33.1	-35	0	0	0	112.7
1003	S	28	Very low	31.7	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	81%	0.813	S	S	*	*			trans	-111.5	158.2	176.2	48	0	0	0	0	112.5
1004	P	40.2	Very low	31.6	Very low	127 Å²	127	140.4 Å²	140.4	83%	0.825	81%	0.813	S	S	*	*			trans	-118.3	146.9	-138.6	39.5	-31.8	0	0	0	117.8
1005	A	28.3	Very low	31.8	Very low	103 Å²	103	137.6 Å²	137.6	85%	0.851	81%	0.805	S	S	*	*			trans	-163.5	149.5	157.6	0	0	0	0	0	110.3
1006	R	28.1	Very low	31.8	Very low	244 Å²	244	137.2 Å²	137.2	92%	0.921	80%	0.8	S	S	*	*			cis	-163.5	121.1	-23.2	-177.3	-179	-172.4	-173	3.8	107.1
1007	A	30.5	Very low	32	Very low	95 Å²	95	135.1 Å²	135.1	79%	0.785	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-90.6	146.8	-170.6	0	0	0	0	0	114.7
1008	P	32.8	Very low	32.3	Very low	128 Å²	128	131.1 Å²	131.1	83%	0.831	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99	160.5	163.2	28.2	-15.9	0	0	0	113.7
1009	V	30.8	Very low	32.8	Very low	137 Å²	137	133.3 Å²	133.3	83%	0.83	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-101.7	147.8	-160.7	174.3	0	0	0	0	113.3
1010	P	37.9	Very low	32.8	Very low	111 Å²	111	133 Å²	133	72%	0.721	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-91	163	175.4	36.9	-37.1	0	0	0	114.5
1011	P	37.7	Very low	33.3	Very low	128 Å²	128	130.2 Å²	130.2	83%	0.831	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-89.4	127.7	179.8	33.1	-33	0	0	0	115.7
1012	A	33.5	Very low	34.6	Very low	88 Å²	88	130.8 Å²	130.8	73%	0.727	79%	0.785	S	S	*	*			trans	-9.1	152.4	149.3	0	0	0	0	0	119.4
1013	T	34.1	Very low	34.6	Very low	106 Å²	106	128.7 Å²	128.7	65%	0.65	78%	0.778	S	S	*	*			cis	-164.3	-162.5	6.9	13.4	0	0	0	0	108.2
1014	K	31.2	Very low	36.2	Very low	181 Å²	181	128.4 Å²	128.4	79%	0.787	77%	0.774	S	S	*	*			cis	-163.3	168.6	16.1	-112.9	123.8	-159.3	151.5	0	105.8
1015	N	34.5	Very low	36.2	Very low	131 Å²	131	130.6 Å²	130.6	70%	0.701	77%	0.773	S	S	*	*			cis	-171.5	172.4	-14.4	-171	14.1	0	0	0	109
1016	K	28	Very low	36.5	Very low	189 Å²	189	133.5 Å²	133.5	82%	0.822	77%	0.773	S	S	*	*			trans	75.2	148.9	170.8	-67	-168.9	172.2	-173.1	0	118.8
1017	V	37.3	Very low	36.7	Very low	127 Å²	127	125.3 Å²	125.3	77%	0.77	77%	0.765	S	S	*	*				-179.9	128.9	-69.2	152	0	0	0	0	112.3
1018	A	31.9	Very low	36.9	Very low	86 Å²	86	131.4 Å²	131.4	71%	0.711	77%	0.767	S	S	*	*			trans	160.1	114.7	152.4	0	0	0	0	0	109.9
1019	I	40.4	Very low	37	Very low	156 Å²	156	133.3 Å²	133.3	80%	0.8	77%	0.765	S	S	*	*				75.9	131.5	73.5	-66.2	165.5	0	0	0	112
1020	T	33.8	Very low	37.1	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	77%	0.765	S	S	*	*			cis	-134.9	173.6	18.4	22.7	0	0	0	0	112
1021	V	35.1	Very low	37.7	Very low	127 Å²	127	137.1 Å²	137.1	77%	0.77	76%	0.764	S	S	*	*			cis	89.3	135.6	24.9	167.4	0	0	0	0	114.9
1022	P	58.2	Low	38.7	Very low	114 Å²	114	136 Å²	136	74%	0.74	76%	0.757	S	S	*	*			cis	-146.8	-172	-15.1	42.9	-22.1	0	0	0	119.4
1023	A	34.8	Very low	38.5	Very low	86 Å²	86	143.1 Å²	143.1	71%	0.711	77%	0.765	S	S	*	*			trans	85.7	154.2	136.3	0	0	0	0	0	125.3
1024	P	61.8	Low	38.4	Very low	111 Å²	111	145 Å²	145	72%	0.721	78%	0.776	S	S	*	*			cis	-151.3	168	-37.3	43.7	-25.4	0	0	0	121.4
1025	Q	39.8	Very low	38.2	Very low	174 Å²	174	139.5 Å²	139.5	81%	0.813	77%	0.771	S	S	*	*			trans	75	161.8	162.7	-44.4	-161.2	17.6	0	0	119.9
1026	L	35	Very low	37.9	Very low	164 Å²	164	142.9 Å²	142.9	86%	0.859	78%	0.782	S	S	*	*			cis	-147.5	-157.7	-11.5	-146.3	68.8	0	0	0	108.9
1027	G	31.2	Very low	37.8	Very low	72 Å²	72	137.9 Å²	137.9	74%	0.742	79%	0.785	S	S	*	*			cis	139.1	141.2	1.8	0	0	0	0	0	110.9
1028	R	35.9	Very low	37.3	Very low	222 Å²	222	137 Å²	137	84%	0.838	78%	0.784	S	S	*	*			cis	-157.7	-170.5	-1.3	-139.4	176.7	-172	-168.5	7.3	107
1029	H	34.1	Very low	37.1	Very low	168 Å²	168	137.2 Å²	137.2	78%	0.778	78%	0.781	S	S	*	*			cis	-153.4	-133.3	3.9	-143.8	-23.1	0	0	0	113.6
1030	R	32.6	Very low	36.4	Very low	219 Å²	219	134 Å²	134	83%	0.826	77%	0.772	S	S	*	*			trans	-164.7	-171.8	179	-126.4	-169.9	175.9	170.3	1.4	113
1031	P	51.6	Low	36.3	Very low	110 Å²	110	135.3 Å²	135.3	71%	0.714	77%	0.774	S	S	*	*			cis	-137	-97.2	31.8	28.6	2.3	0	0	0	123.5
1032	P	57.8	Low	36.1	Very low	103 Å²	103	136.8 Å²	136.8	67%	0.669	77%	0.773	S	S	*	*			trans	-148.9	148	-138.8	44.3	-20.9	0	0	0	125.6
1033	R	29.7	Very low	34.8	Very low	238 Å²	238	139.1 Å²	139.1	90%	0.898	77%	0.774	S	S	*	*			trans	68.4	152.5	130.9	-64.6	178.2	164.9	-167.7	-4.1	128.8
1034	V	30.9	Very low	34.5	Very low	145 Å²	145	140.5 Å²	140.5	88%	0.879	78%	0.779	S	S	*	*			trans	100.3	139.1	148.1	-163.1	0	0	0	0	121.1
1035	G	28.7	Very low	32.9	Very low	66 Å²	66	138.9 Å²	138.9	68%	0.68	78%	0.782	S	S	*	*			trans	113.5	123.2	166.3	0	0	0	0	0	113.4
1036	E	27.6	Very low	32.3	Very low	202 Å²	202	134 Å²	134	94%	0.944	78%	0.779	S	S	*	*			cis	64.1	124.8	31	-69.3	-168	143.3	0	0	115.8
1037	G	26.6	Very low	32.1	Very low	85 Å²	85	132.1 Å²	132.1	88%	0.876	77%	0.774	S	S	*	*			trans	156.2	103.1	171.3	0	0	0	0	0	117.2
1038	S	26.5	Very low	32	Very low	107 Å²	107	136.1 Å²	136.1	75%	0.748	78%	0.777	S	S	*	*			trans	-58.3	152.7	176.9	-169.9	0	0	0	0	118.6
1039	S	26.5	Very low	32.6	Very low	92 Å²	92	130.8 Å²	130.8	64%	0.643	77%	0.772	S	S	*	*			trans	57.4	149.7	135.8	62.7	0	0	0	0	124.7
1040	S	27.3	Very low	33.6	Very low	89 Å²	89	127.4 Å²	127.4	62%	0.622	76%	0.764	S	S	*	*			trans	63.6	146.3	137.3	58.5	0	0	0	0	120.7
1041	D	30	Very low	34.3	Very low	147 Å²	147	123.1 Å²	123.1	79%	0.786	77%	0.765	S	S	*	*			cis	-166.3	162	-11.3	-99.2	-21.1	0	0	0	109.1
1042	E	32	Very low	33.3	Very low	159 Å²	159	123.9 Å²	123.9	74%	0.743	76%	0.763	S	S	*	*			trans	54.7	142.3	145.7	-64.3	-66.7	73.7	0	0	125.5
1043	E	30.9	Very low	32.1	Very low	162 Å²	162	127.8 Å²	127.8	76%	0.757	77%	0.77	S	S	*	*			trans	56.9	107.2	144.4	-67.2	-157.9	107.5	0	0	125
1044	S	28.5	Very low	32.5	Very low	116 Å²	116	122.2 Å²	122.2	81%	0.811	77%	0.765	S	S	*	*				67	135.2	101.7	-151	0	0	0	0	123.2
1045	G	27.4	Very low	33	Very low	77 Å²	77	120 Å²	120	79%	0.794	75%	0.753	S	S	*	*			trans	86.2	128.9	171.8	0	0	0	0	0	114.4
1046	G	28.4	Very low	33.4	Very low	72 Å²	72	122.8 Å²	122.8	74%	0.742	76%	0.759	S	S	*	*			cis	105.6	106.4	20.6	0	0	0	0	0	108.8
1047	T	29	Very low	34	Very low	124 Å²	124	118.5 Å²	118.5	76%	0.761	75%	0.749	S	S	*	*				-175.3	139.1	75.9	41	0	0	0	0	114.8
1048	L	31.1	Very low	34.4	Very low	156 Å²	156	122.1 Å²	122.1	82%	0.817	75%	0.747	S	S	*	*			trans	66.7	170.9	133.6	-59.6	175.6	0	0	0	120.2
1049	P	48.5	Very low	35.2	Very low	110 Å²	110	122.4 Å²	122.4	71%	0.714	75%	0.747	S	S	*	*				-129	-141.3	-78.7	34.9	-12.6	0	0	0	113.9
1050	P	53.7	Low	35.2	Very low	96 Å²	96	123.5 Å²	123.5	62%	0.623	75%	0.745	S	S	*	*				-113.2	-163.2	-94.9	45.9	-28.3	0	0	0	112
1051	P	47.3	Very low	35.2	Very low	129 Å²	129	124.5 Å²	124.5	84%	0.838	75%	0.752	S	S	*	*				-131.8	179.7	53.5	29.8	-6.6	0	0	0	115.3
1052	D	30.6	Very low	35.2	Very low	126 Å²	126	121.5 Å²	121.5	67%	0.674	75%	0.748	S	S	*	*			trans	-113.2	174.6	-150.8	-57.6	-83.1	0	0	0	118.9
1053	F	33	Very low	35.1	Very low	186 Å²	186	119.7 Å²	119.7	82%	0.816	74%	0.742	S	S	*	*			trans	81.5	150.1	165	-70.7	-85.1	0	0	0	120.1
1054	P	37.3	Very low	35	Very low	121 Å²	121	120.5 Å²	120.5	79%	0.786	74%	0.743	S	S	*	*			cis	-123.9	157.3	-0.6	39.7	-26.4	0	0	0	116.7
1055	P	42.4	Very low	34.9	Very low	98 Å²	98	122.7 Å²	122.7	64%	0.636	75%	0.745	S	S	*	*			trans	-108.2	165.1	169.3	40	-33	0	0	0	114.1
1056	P	38.1	Very low	35.1	Very low	125 Å²	125	124.3 Å²	124.3	81%	0.812	74%	0.744	S	S	*	*			trans	-105.8	127.8	163.1	34.8	-25.7	0	0	0	112.6
1057	P	39.7	Very low	36	Very low	112 Å²	112	126.5 Å²	126.5	73%	0.727	75%	0.745	S	S	*	*			trans	-112	172.6	-176.5	41.3	-35	0	0	0	115.4
1058	L	35.1	Very low	36	Very low	161 Å²	161	125.1 Å²	125.1	84%	0.843	74%	0.741	S	S	*	*			trans	15.1	160.8	142	-58.8	172.1	0	0	0	121.6
1059	P	42.5	Very low	35.9	Very low	113 Å²	113	125.7 Å²	125.7	73%	0.734	74%	0.744	S	S	*	*				-127.9	149.4	113.8	37.3	-31.6	0	0	0	113
1060	D	26.1	Very low	35.2	Very low	114 Å²	114	127.7 Å²	127.7	61%	0.61	75%	0.748	S	S	*	*				-174.9	138.2	129.1	-106.8	-53.5	0	0	0	113.9
1061	S	28.6	Very low	35.3	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	75%	0.752	S	S	*	*			trans	56	160.4	169.5	76.2	0	0	0	0	119.6
1062	A	28.5	Very low	34.8	Very low	83 Å²	83	130 Å²	130	69%	0.686	75%	0.754	S	S	*	*			cis	-164.7	178.1	-36	0	0	0	0	0	110.4
1063	I	30.8	Very low	36	Very low	122 Å²	122	129.8 Å²	129.8	63%	0.626	76%	0.759	S	S	*	*			trans	87.5	124.3	158.7	-63.3	169.8	0	0	0	120.7
1064	F	28.7	Very low	35.8	Very low	179 Å²	179	124.1 Å²	124.1	79%	0.785	75%	0.753	S	S	*	*			trans	-0.5	159.3	154.6	-60.2	-96.6	0	0	0	122.3
1065	L	26.6	Very low	36.5	Very low	162 Å²	162	124.1 Å²	124.1	85%	0.848	75%	0.753	S	S	*	*			cis	-144.4	171	32.7	-86.4	172	0	0	0	114.5
1066	S	31.2	Very low	36.1	Very low	111 Å²	111	125.9 Å²	125.9	78%	0.776	76%	0.761	S	S	*	*			trans	-99	173.9	178.6	-40.9	0	0	0	0	113.8
1067	P	47	Very low	35.9	Very low	118 Å²	118	125.4 Å²	125.4	77%	0.766	76%	0.756	S	S	*	*				-157.1	163.7	83.9	41.3	-21.1	0	0	0	120.3
1068	S	28.7	Very low	35.5	Very low	95 Å²	95	131.4 Å²	131.4	66%	0.664	76%	0.764	S	S	*	*			trans	76.1	120.7	136.8	59.7	0	0	0	0	126.4
1069	L	30.7	Very low	35.2	Very low	168 Å²	168	127.3 Å²	127.3	88%	0.88	76%	0.76	S	S	*	*			trans	95.5	134.4	130.3	-70.6	165.1	0	0	0	124.4
1070	D	33.7	Very low	34.9	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	77%	0.774	S	S	*	*			trans	-87.6	-163.1	173.6	-57.2	-81.2	0	0	0	112.8
1071	P	55.8	Low	34.9	Very low	107 Å²	107	133.1 Å²	133.1	70%	0.695	78%	0.784	S	S	*	*			cis	-146.9	156.8	-0.2	41	-20.1	0	0	0	121
1072	L	37	Very low	35	Very low	167 Å²	167	132 Å²	132	87%	0.874	79%	0.791	S	S	*	*			trans	57	176.6	142.1	-65.7	175.1	0	0	0	120.5
1073	P	54.2	Low	35	Very low	120 Å²	120	131.5 Å²	131.5	78%	0.779	79%	0.793	S	S	*	*			cis	-126.6	-176.6	-5.6	41.2	-24.2	0	0	0	116.3
1074	G	28.8	Very low	35.1	Very low	67 Å²	67	135.6 Å²	135.6	69%	0.691	81%	0.81	S	S	*	*			trans	-93.6	-173	175.8	0	0	0	0	0	115.6
1075	P	52.3	Low	35.3	Very low	122 Å²	122	131.9 Å²	131.9	79%	0.792	81%	0.812	S	S	*	*				-162.3	145.7	86.9	43.5	-22.2	0	0	0	121.3
1076	V	33.3	Very low	35.6	Very low	134 Å²	134	136.5 Å²	136.5	81%	0.812	82%	0.818	S	S	*	*				70.2	120.9	119.9	179.3	0	0	0	0	125.4
1077	V	34.8	Very low	35.7	Very low	115 Å²	115	134.6 Å²	134.6	70%	0.697	82%	0.816	S	S	*	*			trans	106.8	127	134.4	137.1	0	0	0	0	126.8
1078	R	30.9	Very low	35.9	Very low	239 Å²	239	135 Å²	135	90%	0.902	82%	0.818	S	S	*	*			trans	49.7	152.2	151	-62	166.7	-172.6	171.6	1	122.7
1079	G	30.1	Very low	36.9	Very low	74 Å²	74	135.8 Å²	135.8	76%	0.763	82%	0.821	S	S	*	*			cis	151.1	145.9	-17.3	0	0	0	0	0	118.9
1080	R	36	Very low	38	Very low	268 Å²	268	133.2 Å²	133.2	100%	1.011	82%	0.815	S	S	*	*			trans	84.9	143.2	156.8	-85.2	-169.5	171.5	-144.9	-2	124.3
1081	G	26.3	Very low	38.8	Very low	81 Å²	81	131.3 Å²	131.3	84%	0.835	81%	0.811	S	S	*	*			trans	122.7	123.6	172.6	0	0	0	0	0	110.8
1082	G	28.8	Very low	37.8	Very low	88 Å²	88	135.9 Å²	135.9	91%	0.907	82%	0.82	S	S	*	*			cis	110.1	119.2	18	0	0	0	0	0	109.6
1083	G	29.2	Very low	37.8	Very low	72 Å²	72	131.9 Å²	131.9	74%	0.742	81%	0.81	S	S	*	*			cis	-170.7	-154.8	-0	0	0	0	0	0	111.6
1084	E	32.6	Very low	37.1	Very low	209 Å²	209	134.9 Å²	134.9	98%	0.977	81%	0.814	S	S	*	*			trans	70.7	150.7	179.7	-56	-158.4	130.9	0	0	118.8
1085	A	33	Very low	38.3	Very low	100 Å²	100	138 Å²	138	83%	0.826	82%	0.822	S	S	*	*			trans	-150.3	146.6	-178	0	0	0	0	0	113.2
1086	R	34.3	Very low	37.5	Very low	260 Å²	260	142.1 Å²	142.1	98%	0.981	82%	0.822	S	S	*	*			trans	-150.7	156.6	175.7	-80.6	-174.5	171.3	-168.8	-1.4	112
1087	G	32.5	Very low	38.3	Very low	70 Å²	70	141.2 Å²	141.2	72%	0.722	82%	0.818	S	S	*	*			trans	-162.5	-171.9	163.8	0	0	0	0	0	110.3
1088	P	51.4	Low	39	Very low	126 Å²	126	141.5 Å²	141.5	82%	0.818	82%	0.822	S	S	*	*			cis	-102.2	-111.4	-14.1	36.7	-19.2	0	0	0	109.3
1089	P	48.4	Very low	39.2	Very low	112 Å²	112	137.5 Å²	137.5	73%	0.727	82%	0.818	S	S	*	*			cis	-123.2	173.3	-11.2	43.4	-28.5	0	0	0	115.9
1090	P	55.4	Low	40.5	Very low	114 Å²	114	139.4 Å²	139.4	74%	0.74	82%	0.817	S	S	*	*			trans	-105.1	170	179.6	40.2	-36.1	0	0	0	116.7
1091	P	49.4	Very low	41.2	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	81%	0.807	S	S	*	*			trans	-115.9	143.5	164.4	35.6	-23.1	0	0	0	113.5
1092	K	34.3	Very low	41.4	Very low	203 Å²	203	131.9 Å²	131.9	88%	0.883	80%	0.801	S	S	*	*				81.2	150.1	55.7	-68.7	174.1	179.9	179.4	0	115.5
1093	A	37.4	Very low	42.1	Very low	82 Å²	82	134.1 Å²	134.1	68%	0.678	80%	0.799	S	S	*	*			cis	178	144.9	-42.8	0	0	0	0	0	112.9
1094	H	39.2	Very low	42.1	Very low	183 Å²	183	136.1 Å²	136.1	85%	0.847	80%	0.802	S	S	*	*			trans	67.4	157	155.4	-73.4	-44	0	0	0	120.4
1095	P	54.8	Low	42.8	Very low	132 Å²	132	132.2 Å²	132.2	86%	0.857	80%	0.795	S	S	*	*				-139.4	-176	62.8	39.4	-18.8	0	0	0	118.3
1096	R	34.8	Very low	42.5	Very low	210 Å²	210	131.7 Å²	131.7	79%	0.792	79%	0.791	S	S	*	*			trans	-151.7	154.7	179.7	-166.7	-137.3	-83.1	-151.2	-5.3	111.3
1097	P	50	Low	42.3	Very low	115 Å²	115	123.8 Å²	123.8	75%	0.747	78%	0.775	S	S	*	*			trans	-137.5	-168.9	144.9	41.4	-26.5	0	0	0	112.7
1098	P	50.5	Low	42.1	Very low	120 Å²	120	125.8 Å²	125.8	78%	0.779	77%	0.773	S	S	*	*				-124.8	-173.2	-80.2	39.6	-23.2	0	0	0	115.5
1099	L	35.2	Very low	41	Very low	155 Å²	155	128.1 Å²	128.1	81%	0.812	77%	0.771	S	S	*	*			trans	-117.5	-177.2	171.5	-77	165.2	0	0	0	109
1100	P	58.2	Low	40.2	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	78%	0.776	S	S	*	*			cis	-129.4	-147.6	4.4	45	-25.2	0	0	0	111.3
1101	P	50.1	Low	38.9	Very low	122 Å²	122	127.7 Å²	127.7	79%	0.792	77%	0.769	S	S	*	*			cis	-130.3	-173.6	-11.2	42.1	-23.3	0	0	0	116.1
1102	G	29.8	Very low	38	Very low	69 Å²	69	131 Å²	131	71%	0.711	78%	0.775	S	S	*	*			trans	-86.3	-173.6	174.9	0	0	0	0	0	115.3
1103	P	43	Very low	37.9	Very low	135 Å²	135	127.5 Å²	127.5	88%	0.877	77%	0.77	S	S	*	*				-146.5	179.7	70.9	42.2	-25.4	0	0	0	117.4
1104	S	30.5	Very low	37.6	Very low	113 Å²	113	128.1 Å²	128.1	79%	0.79	78%	0.775	S	S	*	*			trans	-83.6	-168.5	166.3	-24.2	0	0	0	0	111.4
1105	P	46.3	Very low	37.1	Very low	127 Å²	127	122.9 Å²	122.9	83%	0.825	77%	0.771	S	S	*	*			cis	-114.9	-168.9	9.2	43.5	-28.6	0	0	0	112.3
1106	A	28.3	Very low	35.8	Very low	90 Å²	90	120.1 Å²	120.1	74%	0.744	77%	0.766	S	S	*	*			cis	-176.3	168.1	35.9	0	0	0	0	0	107.4
1107	S	28.6	Very low	35.6	Very low	93 Å²	93	117.4 Å²	117.4	65%	0.65	77%	0.768	S	S	*	*			cis	-169.5	145.4	-5.5	44.3	0	0	0	0	111.3
1108	T	29	Very low	34.7	Very low	112 Å²	112	116.8 Å²	116.8	69%	0.687	76%	0.758	S	S	*	*			trans	63.6	156.4	145.7	53.9	0	0	0	0	120.2
1109	F	28.1	Very low	33.7	Very low	176 Å²	176	120.4 Å²	120.4	77%	0.772	76%	0.756	S	S	*	*			cis	-152.8	147	-1.5	-125.5	-48.7	0	0	0	111.6
1110	L	30.9	Very low	33.5	Very low	157 Å²	157	117.8 Å²	117.8	82%	0.822	75%	0.751	S	S	*	*			trans	88	129.3	160.5	-58.4	165.1	0	0	0	116.6
1111	G	28.2	Very low	32	Very low	59 Å²	59	118.7 Å²	118.7	61%	0.608	76%	0.758	S	S	*	*			cis	89.6	140.7	3	0	0	0	0	0	113.6
1112	E	32	Very low	31.3	Very low	182 Å²	182	117.8 Å²	117.8	85%	0.85	76%	0.755	S	S	*	*			cis	-172.2	160.9	-7.9	-131.1	169	-79.5	0	0	107.1
1113	V	31.9	Very low	31.3	Very low	130 Å²	130	120.4 Å²	120.4	79%	0.788	76%	0.757	S	S	*	*			cis	-128.4	-148.2	4.7	-148.5	0	0	0	0	106.6
1114	A	30.8	Very low	30.8	Very low	95 Å²	95	121.7 Å²	121.7	79%	0.785	76%	0.756	S	S	*	*			cis	-163.6	167.5	-11	0	0	0	0	0	107.1
1115	G	27.9	Very low	30.6	Very low	73 Å²	73	124.6 Å²	124.6	75%	0.753	76%	0.757	S	S	*	*			cis	162	126.5	-10.1	0	0	0	0	0	113.1
1116	G	26.9	Very low	29.7	Very low	74 Å²	74	125.9 Å²	125.9	76%	0.763	75%	0.754	S	S	*	*			trans	71.7	155.8	166	0	0	0	0	0	118.3
1117	D	31.1	Very low	29.6	Very low	154 Å²	154	126.2 Å²	126.2	82%	0.824	76%	0.756	S	S	*	*			cis	-163.1	173.2	-22.8	-138.7	-29.5	0	0	0	111.3
1118	D	31.5	Very low	29.6	Very low	102 Å²	102	131.1 Å²	131.1	55%	0.545	77%	0.766	S	S	.	*			trans	62.3	118.1	156.1	-92.4	-18.6	0	0	0	123
1119	R	29.3	Very low	29.6	Very low	195 Å²	195	131 Å²	131	74%	0.736	77%	0.765	S	S	*	*				79.3	90.4	126.2	-71.5	175	-145	179.8	26.2	123.3
1120	S	30.1	Very low	29.4	Very low	101 Å²	101	129.8 Å²	129.8	71%	0.706	77%	0.766	S	S	*	*				81.1	151.4	101.7	75.8	0	0	0	0	123.1
1121	C	28.6	Very low	29.4	Very low	133 Å²	133	127.4 Å²	127.4	90%	0.899	76%	0.763	S	S	*	*			trans	80	135	151.4	-74	0	0	0	0	119.8
1122	S	35	Very low	29.5	Very low	104 Å²	104	131.9 Å²	131.9	73%	0.727	77%	0.768	S	S	*	*			trans	-109.8	148.8	-169.1	53.6	0	0	0	0	112.3
1123	V	28.9	Very low	29.4	Very low	124 Å²	124	129.9 Å²	129.9	75%	0.752	77%	0.768	S	S	*	*			trans	76	114.2	146.7	172.1	0	0	0	0	119
1124	L	31.9	Very low	29.2	Very low	162 Å²	162	130.1 Å²	130.1	85%	0.848	77%	0.765	S	S	*	*			trans	47.9	112	147.5	-69.1	169.4	0	0	0	120.9
1125	Q	27.6	Very low	29	Very low	173 Å²	173	136.9 Å²	136.9	81%	0.808	77%	0.771	S	S	*	*			trans	-158.9	142.1	140.5	-114.1	174.9	4.5	0	0	114.5
1126	M	26	Very low	28.8	Very low	154 Å²	154	137.6 Å²	137.6	76%	0.759	77%	0.77	S	S	*	*			trans	58.4	92.2	152.5	-67.4	-177	-85.2	0	0	122.4
1127	A	27.6	Very low	30.2	Very low	97 Å²	97	140.1 Å²	140.1	80%	0.802	77%	0.773	S	S	*	*				45	157.4	107.5	0	0	0	0	0	124
1128	K	27.4	Very low	30	Very low	197 Å²	197	137.7 Å²	137.7	86%	0.857	77%	0.774	S	S	*	*			trans	85.5	141.2	178.5	-68.3	-163.4	169.4	-175	0	115.6
1129	T	28.9	Very low	29.8	Very low	108 Å²	108	136.1 Å²	136.1	66%	0.663	78%	0.782	S	S	*	*			cis	-157.1	156.1	0.4	2.1	0	0	0	0	113.7
1130	L	25.2	Very low	30.4	Very low	151 Å²	151	132.9 Å²	132.9	79%	0.791	79%	0.786	S	S	*	*			trans	71	117.8	147.1	-71.8	165	0	0	0	122.5
1131	S	30.7	Very low	30.2	Very low	108 Å²	108	132 Å²	132	76%	0.755	79%	0.786	S	S	*	*			trans	117.8	95	150.8	-151.6	0	0	0	0	111.8
1132	E	30.9	Very low	30.2	Very low	153 Å²	153	137.1 Å²	137.1	72%	0.715	79%	0.786	S	S	*	*				55.3	125.8	60.8	-54.6	-179.4	-165.1	0	0	111.3
1133	V	28.5	Very low	29.7	Very low	140 Å²	140	137.3 Å²	137.3	85%	0.848	79%	0.787	S	S	*	*			cis	-135.1	144.7	30.1	176.8	0	0	0	0	113.7
1134	D	28.3	Very low	29.6	Very low	135 Å²	135	135.3 Å²	135.3	72%	0.722	78%	0.784	S	S	*	*			trans	-92.3	153.4	171.3	-64.3	-78.5	0	0	0	113.8
1135	Y	26.2	Very low	29.4	Very low	237 Å²	237	135.9 Å²	135.9	93%	0.929	79%	0.787	S	S	*	*				-179.4	166.9	109	-116	-94.9	0	0	0	113.4
1136	A	24.7	Very low	29.4	Very low	87 Å²	87	135 Å²	135	72%	0.719	79%	0.787	S	S	*	*			trans	-112.9	-135.8	-169.2	0	0	0	0	0	115.2
1137	P	55.9	Low	30.2	Very low	128 Å²	128	133.6 Å²	133.6	83%	0.831	79%	0.789	S	S	*	*				-121.4	158.7	-113.5	37.7	-22.2	0	0	0	116.1
1138	A	26.5	Very low	30	Very low	103 Å²	103	132 Å²	132	85%	0.851	78%	0.782	S	S	*	*			trans	-159.2	146.3	169.5	0	0	0	0	0	114.3
1139	G	27.3	Very low	31.1	Very low	69 Å²	69	128.1 Å²	128.1	71%	0.711	78%	0.777	S	S	*	*			trans	-94.5	-162.8	147.8	0	0	0	0	0	110.2
1140	P	42	Very low	31	Very low	126 Å²	126	130 Å²	130	82%	0.818	78%	0.782	S	S	*	*			cis	-145	-171.7	15.5	43.4	-23.6	0	0	0	116.3
1141	A	26.7	Very low	31	Very low	84 Å²	84	130.2 Å²	130.2	69%	0.694	78%	0.779	S	S	*	*			trans	75	131.4	139.9	0	0	0	0	0	124.1
1142	R	27.2	Very low	30.8	Very low	239 Å²	239	132.3 Å²	132.3	90%	0.902	78%	0.781	S	S	*	*			trans	78.7	104.6	136.8	-77.1	178.1	176.4	-172.5	-1.3	122.8
1143	S	26.2	Very low	30.5	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	79%	0.787	S	S	*	*				97.3	121.5	100.3	-162.6	0	0	0	0	122.2
1144	A	27	Very low	31.5	Very low	81 Å²	81	131.1 Å²	131.1	67%	0.669	77%	0.774	S	S	*	*			trans	65.5	124.7	140.4	0	0	0	0	0	122.4
1145	L	27	Very low	31.5	Very low	175 Å²	175	132.3 Å²	132.3	92%	0.916	78%	0.775	S	S	*	*				-176.9	156.4	94.9	-96.3	167.5	0	0	0	114.1
1146	L	27.8	Very low	31.6	Very low	155 Å²	155	132.5 Å²	132.5	81%	0.812	77%	0.774	S	S	*	*			trans	-96.8	164.3	174.1	-95.9	169.3	0	0	0	110
1147	P	41.9	Very low	31.6	Very low	123 Å²	123	131.8 Å²	131.8	80%	0.799	77%	0.774	S	S	*	*				-150.3	178.6	59.5	40.5	-18.7	0	0	0	118.5
1148	G	24.1	Very low	30.2	Very low	63 Å²	63	134.3 Å²	134.3	65%	0.649	78%	0.78	S	S	*	*			trans	-91.2	-138	166.2	0	0	0	0	0	112.6
1149	P	49.4	Very low	30.2	Very low	117 Å²	117	134.7 Å²	134.7	76%	0.76	78%	0.776	S	S	*	*			cis	-140	-152.7	4.1	36.9	-12.7	0	0	0	114.3
1150	L	26.8	Very low	30.4	Very low	148 Å²	148	136 Å²	136	78%	0.775	78%	0.775	S	S	*	*			trans	85	155.1	165.6	-51.7	176.3	0	0	0	119.1
1151	E	26.4	Very low	29.8	Very low	154 Å²	154	135.5 Å²	135.5	72%	0.72	77%	0.765	S	S	*	*			cis	-168.5	172.3	-46.8	-139.7	-169.1	154.3	0	0	111
1152	L	25.7	Very low	29.9	Very low	152 Å²	152	141.9 Å²	141.9	80%	0.796	77%	0.773	S	S	*	*			trans	77.2	137.6	156.8	-67.2	161.7	0	0	0	122
1153	Q	24.2	Very low	29.9	Very low	180 Å²	180	134 Å²	134	84%	0.841	77%	0.767	S	S	*	*			trans	-98.6	-149.7	165.1	-55.1	-173.5	-10.1	0	0	108.8
1154	P	50.8	Low	29.9	Very low	88 Å²	88	140.5 Å²	140.5	57%	0.571	77%	0.774	S	S	*	*			cis	-145.1	-176.3	-8.8	29.3	-2.6	0	0	0	118.6
1155	H	27.3	Very low	30.3	Very low	160 Å²	160	142.8 Å²	142.8	74%	0.741	78%	0.782	S	S	*	*			trans	106.6	111.2	142.3	-68.4	-32.4	0	0	0	123.6
1156	R	28.6	Very low	30.3	Very low	242 Å²	242	141.8 Å²	141.8	91%	0.913	78%	0.777	S	S	*	*				50	135.2	125.8	-69.7	-177.2	166.3	-169.8	-2.8	122.5
1157	G	24.9	Very low	30.2	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	78%	0.777	S	S	*	*			trans	172.8	78.4	148.3	0	0	0	0	0	121.5
1158	L	26.9	Very low	29.8	Very low	182 Å²	182	142.7 Å²	142.7	95%	0.953	78%	0.777	S	S	*	*			trans	70.1	154.7	147.8	-64.4	165.2	0	0	0	122.6
1159	S	26.7	Very low	30.1	Very low	110 Å²	110	145.2 Å²	145.2	77%	0.769	78%	0.782	S	S	*	*			trans	-82.8	176.2	179.9	-30.1	0	0	0	0	112.6
1160	S	30.7	Very low	29.4	Very low	97 Å²	97	145 Å²	145	68%	0.678	78%	0.78	S	S	*	*			cis	-166	-175.5	12.8	-132	0	0	0	0	108.5
1161	D	28.9	Very low	29.5	Very low	116 Å²	116	143.6 Å²	143.6	62%	0.62	78%	0.78	S	S	*	*			cis	-162.2	-176.2	4.8	-136.6	-51.7	0	0	0	113
1162	Y	29.2	Very low	29.5	Very low	217 Å²	217	148.2 Å²	148.2	85%	0.851	79%	0.791	S	S	*	*			trans	40.7	118.5	155.9	-73.8	-66.9	0	0	0	122.9
1163	G	26.5	Very low	29.7	Very low	75 Å²	75	148.6 Å²	148.6	77%	0.773	79%	0.792	S	S	*	*				132.4	76.9	116.6	0	0	0	0	0	119.9
1164	R	28	Very low	29.7	Very low	245 Å²	245	150.8 Å²	150.8	93%	0.925	79%	0.793	S	S	*	*			trans	-147.8	143.8	155.4	-89.5	-166.7	179.5	-147.9	-1.3	112.9
1165	P	33.4	Very low	28.7	Very low	129 Å²	129	154.6 Å²	154.6	84%	0.838	80%	0.803	S	S	*	*			trans	-80.3	157.7	173.8	33.7	-35	0	0	0	112.7
1166	L	28.3	Very low	28.6	Very low	154 Å²	154	152.6 Å²	152.6	81%	0.806	81%	0.807	S	S	*	*			trans	-97.3	143.3	-173.6	-71.3	161.1	0	0	0	113.2
1167	S	26.3	Very low	28.6	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	80%	0.802	S	S	*	*			trans	-146.8	108.3	160.8	61.9	0	0	0	0	110.6
1168	F	31.8	Very low	28.5	Very low	181 Å²	181	152.8 Å²	152.8	79%	0.794	80%	0.802	S	S	*	*			trans	-71.2	147.8	171.8	-70	-91	0	0	0	110.2
1169	P	30.5	Very low	28.6	Very low	117 Å²	117	151.3 Å²	151.3	76%	0.76	79%	0.791	S	S	*	*				-148.3	-158.2	83.2	39	-17	0	0	0	112.6
1170	P	34.5	Very low	28.5	Very low	112 Å²	112	153.2 Å²	153.2	73%	0.727	79%	0.793	S	S	*	*				-127.8	160.5	-77.7	39.4	-25.3	0	0	0	113.5
1171	P	30.8	Very low	28.2	Very low	119 Å²	119	156.2 Å²	156.2	77%	0.773	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-99.8	137.7	166.7	34.6	-28.3	0	0	0	112.8
1172	R	26.1	Very low	28.1	Very low	250 Å²	250	154.9 Å²	154.9	94%	0.943	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.4	134.9	150.4	-75	-179.9	173.1	-179.9	-3.3	107.4
1173	I	28.2	Very low	28	Very low	160 Å²	160	153.7 Å²	153.7	82%	0.821	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-90.5	140.1	168.3	-62	173.1	0	0	0	108.4
1174	R	25.1	Very low	28.2	Very low	227 Å²	227	159.2 Å²	159.2	86%	0.857	81%	0.813	S	S	*	*			trans	-131.6	147	154.8	-167.2	178.7	-172.8	-161.1	0.5	107
1175	E	30.4	Very low	28	Very low	167 Å²	167	152.2 Å²	152.2	78%	0.78	81%	0.807	S	S	*	*			trans	-68.6	146.5	-169.7	-51.9	93.5	145.7	0	0	113.2
1176	S	25.1	Very low	27.9	Very low	119 Å²	119	152 Å²	152	83%	0.832	81%	0.806	S	S	*	*			trans	-140.8	143.5	147.2	-169.1	0	0	0	0	108.7
1177	I	27.6	Very low	27.8	Very low	157 Å²	157	150 Å²	150	81%	0.805	80%	0.804	S	S	*	*			trans	-91.9	167.1	174.3	-67	163.3	0	0	0	108.6
1178	Q	22.7	Very low	27.9	Very low	159 Å²	159	150.8 Å²	150.8	74%	0.743	81%	0.806	S	S	*	*			trans	134.2	97.7	147.6	-156.5	148.6	24.5	0	0	111.7
1179	E	29.8	Very low	27.8	Very low	152 Å²	152	151.6 Å²	151.6	71%	0.71	81%	0.812	S	S	*	*				85.9	127.7	89.1	-73.7	-176.8	140.9	0	0	115.5
1180	D	24.3	Very low	27.5	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	82%	0.815	S	S	*	*			trans	-168.7	126.9	149.6	-93.6	-34.8	0	0	0	104.7
1181	L	23.9	Very low	27.1	Very low	159 Å²	159	148.3 Å²	148.3	83%	0.832	82%	0.82	S	S	*	*				66.4	126.9	57	-60.8	174	0	0	0	112.5
1182	A	28.5	Very low	27.2	Very low	88 Å²	88	154.3 Å²	154.3	73%	0.727	83%	0.828	S	S	*	*			cis	-148.2	-164.1	-3.5	0	0	0	0	0	108.3
1183	E	26.3	Very low	27.3	Very low	192 Å²	192	147.3 Å²	147.3	90%	0.897	82%	0.823	S	S	*	*			cis	-145.9	-169.6	15.4	-63.3	-176	95	0	0	110.7
1184	E	29.6	Very low	27.5	Very low	192 Å²	192	145.2 Å²	145.2	90%	0.897	82%	0.823	S	S	*	*			trans	-123.4	159.1	176.8	-81.7	-162.8	147.3	0	0	114.4
1185	A	25.5	Very low	27.8	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	82%	0.821	S	S	*	*			trans	-146.1	156.3	161.6	0	0	0	0	0	110
1186	P	31.5	Very low	28.1	Very low	125 Å²	125	137.3 Å²	137.3	81%	0.812	82%	0.821	S	S	*	*				-108.8	168.6	-120.3	38.7	-38	0	0	0	118.1
1187	C	25.3	Very low	28.6	Very low	112 Å²	112	135.2 Å²	135.2	76%	0.757	82%	0.818	S	S	*	*			trans	-66.8	169.1	-173.6	-41	0	0	0	0	116.1
1188	P	28.6	Very low	29.3	Very low	131 Å²	131	137.5 Å²	137.5	85%	0.851	83%	0.825	S	S	*	*				-116.6	168.4	110.2	34.7	-35.1	0	0	0	114
1189	Q	29.6	Very low	30.5	Very low	198 Å²	198	131.7 Å²	131.7	93%	0.925	81%	0.805	S	S	*	*			trans	-90.6	149.8	-165.2	-62.3	171.4	-17	0	0	114.4
1190	G	24.7	Very low	32	Very low	79 Å²	79	126.7 Å²	126.7	81%	0.814	79%	0.794	S	S	*	*			trans	-176.2	92.7	166.3	0	0	0	0	0	115.7
1191	G	26.2	Very low	34.4	Very low	82 Å²	82	120.2 Å²	120.2	85%	0.845	76%	0.759	S	S	*	*			trans	67	114.2	156.4	0	0	0	0	0	119
1192	R	31.4	Very low	36.8	Very low	245 Å²	245	113 Å²	113	93%	0.925	72%	0.723	S	S	*	*			trans	-77.8	140	164	-79.4	-177.9	172.1	178.5	-4.6	111.4
1193	A	28.7	Very low	39.1	Very low	103 Å²	103	111.3 Å²	111.3	85%	0.851	71%	0.709	S	S	*	*			trans	-126.9	131.7	145.9	0	0	0	0	0	108.4
1194	S	31.9	Very low	41.8	Very low	116 Å²	116	103.1 Å²	103.1	81%	0.811	67%	0.67	S	S	*	*			trans	-140.8	120.4	175.2	-55.8	0	0	0	0	107.7
1195	G	32	Very low	44.4	Very low	80 Å²	80	94 Å²	94	83%	0.825	63%	0.627	S	S	*	*			trans	145	65.1	-177.1	0	0	0	0	0	114.2
1196	L	37.5	Very low	47.1	Very low	147 Å²	147	96.2 Å²	96.2	77%	0.77	62%	0.615	S	S	*	*			trans	-133.4	83.9	164.4	-101.9	165.1	0	0	0	107.5	A1199	L1196-A1199 HydrophobicContact CD2-CB 4.32Å
1197	G	35.5	Very low	49.4	Very low	75 Å²	75	94.1 Å²	94.1	77%	0.773	61%	0.608	S	S	*	*	S	Bend	trans	-165.1	18.4	-173.2	0	0	0	0	0	114.2
1198	E	41.4	Very low	52.3	Low	205 Å²	205	90.6 Å²	90.6	96%	0.958	58%	0.582	S	S	*	*	S	Bend	trans	-163.2	40.3	173.6	-128.1	172	-156.5	0	0	110.8
1199	A	48.8	Very low	55	Low	38 Å²	38	86.8 Å²	86.8	31%	0.314	57%	0.566	S	S	.	*			trans	-119.9	122.4	-176.3	0	0	0	0	0	110.8	L1196 A1203 L1225	L1196-A1199 HydrophobicContact CD2-CB 4.32Å; A1199-A1203 HydrophobicContact CB-CB 4.15Å; A1199-L1225 VanDerWaalsContact O-CD1 3.27Å; A1199-L1225 WeakPolarHBondContact O-CD1 3.49Å
1200	G	60.9	Low	57.9	Low	47 Å²	47	77.5 Å²	77.5	49%	0.485	52%	0.523	S	S	.	.			trans	-76.7	170.4	173.9	0	0	0	0	0	113	G1202 A1203 W1204	G1200-G1202 PolarHBondContact O-N 2.93Å; G1200-A1203 WeakPolarHBondContact O-CA 3.34Å; G1200-A1203 WeakPolarHBondContact O-CB 3.23Å; G1200-A1203 PolarHBondContact O-N 2.82Å; G1200-W1204 PolarHBondContact O-N 3.38Å
1201	M	75.4	Confident	60.9	Low	13 Å²	13	76.2 Å²	76.2	6%	0.064	50%	0.495	C	S	.	.	H	α-helix	trans	-48.4	-49.3	-175.8	179.6	-83.9	-156.2	0	0	114.1	A1203 W1204 L1205 E1214 L1217 V1218 L1228	M1201-A1203 VanDerWaalsContact C-N 3.31Å; M1201-A1203 PolarHBondContact O-N 2.75Å; M1201-W1204 WeakPolarHBondContact O-CB 3.18Å; M1201-W1204 PolarHBondContact O-N 3.04Å; M1201-W1204 VanDerWaalsContact O-N 3.17Å; M1201-L1205 HydrophobicContact CE-CD1 3.68Å; M1201-L1205 PolarHBondContact O-N 3.03Å; M1201-L1205 HydrophobicContact SD-CD1 3.55Å; M1201-L1205 VanDerWaalsContact SD-CD1 3.55Å; M1201-L1205 HydrophobicContact SD-CG 4.23Å; M1201-E1214 HydrophobicContact SD-CB 4.5Å; M1201-E1214 HydrophobicContact SD-CG 3.92Å; M1201-L1217 HydrophobicContact CE-CB 3.32Å; M1201-L1217 HydrophobicContact CE-CD1 4.01Å; M1201-L1217 HydrophobicContact CE-CG 4.3Å; M1201-V1218 HydrophobicContact CE-CG2 3.83Å; M1201-V1218 HydrophobicContact SD-CG2 4.18Å; M1201-L1228 HydrophobicContact CB-CD1 4.33Å; M1201-L1228 HydrophobicContact CE-CD1 4.47Å; M1201-L1228 HydrophobicContact CG-CD1 3.44Å; M1201-L1228 VanDerWaalsContact CG-CD1 3.44Å
1202	G	74.4	Confident	63.7	Low	8 Å²	8	78.9 Å²	78.9	8%	0.082	48%	0.48	C	S	.	.	H	α-helix	trans	-65.8	-25.7	175.8	0	0	0	0	0	115.6	G1200 R1206 E1214	G1200-G1202 PolarHBondContact O-N 2.93Å; G1202-R1206 VanDerWaalsContact O-CB 3.23Å; G1202-R1206 WeakPolarHBondContact O-CB 3.21Å; G1202-R1206 PolarHBondContact O-N 3.41Å; G1202-E1214 VanDerWaalsContact CA-OE1 3.27Å; G1202-E1214 WeakPolarHBondContact CA-OE1 3.36Å; G1202-E1214 WeakPolarHBondContact CA-OE2 3.5Å
1203	A	75.7	Confident	66.4	Low	52 Å²	52	68.1 Å²	68.1	43%	0.43	44%	0.44	S	S	.	.	H	α-helix	trans	-78	-33.7	173.1	0	0	0	0	0	111.6	A1199 G1200 M1201 A1207	A1199-A1203 HydrophobicContact CB-CB 4.15Å; G1200-A1203 WeakPolarHBondContact O-CA 3.34Å; G1200-A1203 WeakPolarHBondContact O-CB 3.23Å; G1200-A1203 PolarHBondContact O-N 2.82Å; M1201-A1203 VanDerWaalsContact C-N 3.31Å; M1201-A1203 PolarHBondContact O-N 2.75Å; A1203-A1207 WeakPolarHBondContact O-CB 3.41Å; A1203-A1207 PolarHBondContact O-N 3.4Å; A1203-A1207 VanDerWaalsContact O-N 3.1Å
1204	W	83.9	Confident	69	Low	21 Å²	21	66.4 Å²	66.4	8%	0.08	41%	0.414	C	S	.	.	H	α-helix	trans	-67.8	-49.9	172	173.5	79.1	0	0	0	111.6	G1200 M1201 R1206 A1207 I1208 L1225 L1228 L1250 T1253 L1254	G1200-W1204 PolarHBondContact O-N 3.38Å; M1201-W1204 WeakPolarHBondContact O-CB 3.18Å; M1201-W1204 PolarHBondContact O-N 3.04Å; M1201-W1204 VanDerWaalsContact O-N 3.17Å; W1204-R1206 VanDerWaalsContact C-N 3.28Å; W1204-R1206 PolarHBondContact O-N 2.76Å; W1204-A1207 WeakPolarHBondContact O-CB 3.39Å; W1204-A1207 PolarHBondContact O-N 2.7Å; W1204-I1208 HydrophobicContact CD2-CD1 4.42Å; W1204-I1208 HydrophobicContact CE3-CD1 4.44Å; W1204-I1208 HydrophobicContact CH2-CD1 3.8Å; W1204-I1208 HydrophobicContact CZ2-CD1 3.76Å; W1204-I1208 HydrophobicContact CZ3-CD1 4.16Å; W1204-I1208 PolarHBondContact O-N 2.88Å; W1204-L1225 HydrophobicContact CB-CD1 4.29Å; W1204-L1225 HydrophobicContact CB-CD2 3.95Å; W1204-L1225 HydrophobicContact CD2-CD2 3.79Å; W1204-L1225 HydrophobicContact CE3-CD2 3.89Å; W1204-L1225 HydrophobicContact CG-CD2 3.81Å; W1204-L1228 HydrophobicContact CZ3-CD1 4.38Å; W1204-L1250 HydrophobicContact CH2-CD2 3.53Å; W1204-L1250 HydrophobicContact CZ3-CD2 3.74Å; W1204-T1253 WeakPolarHBondContact CZ2-OG1 3.14Å; W1204-L1254 HydrophobicContact CH2-CD1 3.97Å; W1204-L1254 HydrophobicContact CH2-CD2 3.61Å; W1204-L1254 HydrophobicContact CH2-CG 3.56Å; W1204-L1254 HydrophobicContact CZ2-CD1 4.48Å; W1204-L1254 HydrophobicContact CZ2-CD2 3.58Å; W1204-L1254 HydrophobicContact CZ2-CG 3.6Å; W1204-L1254 HydrophobicContact CZ3-CD2 4.31Å
1205	L	83.3	Confident	71.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-56.1	-41.7	175.3	-74.9	178.4	0	0	0	112.2	M1201 A1207 I1208 G1209 L1210 E1214 L1217 L1250	M1201-L1205 HydrophobicContact CE-CD1 3.68Å; M1201-L1205 PolarHBondContact O-N 3.03Å; M1201-L1205 HydrophobicContact SD-CD1 3.55Å; M1201-L1205 VanDerWaalsContact SD-CD1 3.55Å; M1201-L1205 HydrophobicContact SD-CG 4.23Å; L1205-A1207 VanDerWaalsContact C-N 3.31Å; L1205-A1207 PolarHBondContact O-N 2.81Å; L1205-I1208 HydrophobicContact CD2-CD1 4.4Å; L1205-I1208 CarbonylContact O-C 3.51Å; L1205-I1208 WeakPolarHBondContact O-CG1 3.46Å; L1205-I1208 PolarHBondContact O-N 3.07Å; L1205-G1209 PolarHBondContact O-N 3.06Å; L1205-L1210 HydrophobicContact CD2-CB 4.12Å; L1205-L1210 PolarHBondContact O-N 3.06Å; L1205-E1214 VanDerWaalsContact CD1-CA 3.43Å; L1205-E1214 HydrophobicContact CD1-CB 3.77Å; L1205-E1214 HydrophobicContact CD1-CG 4.41Å; L1205-L1217 HydrophobicContact CD1-CD1 4.07Å; L1205-L1217 HydrophobicContact CD2-CD1 4.09Å; L1205-L1250 HydrophobicContact CD2-CD2 3.57Å
1206	R	83.3	Confident	73.2	Confident	143 Å²	143	64.1 Å²	64.1	54%	0.54	38%	0.376	S	S	.	.	H	α-helix	trans	-70.2	-24.2	177.2	-162.9	174.2	-55.6	150.4	13.6	113.7	G1202 W1204 I1208 E1211 E1214	G1202-R1206 VanDerWaalsContact O-CB 3.23Å; G1202-R1206 WeakPolarHBondContact O-CB 3.21Å; G1202-R1206 PolarHBondContact O-N 3.41Å; W1204-R1206 VanDerWaalsContact C-N 3.28Å; W1204-R1206 PolarHBondContact O-N 2.76Å; R1206-I1208 VanDerWaalsContact C-N 3.29Å; R1206-E1211 HydrophobicContact CB-CB 4.22Å; R1206-E1211 HydrophobicContact CG-CB 4.49Å; R1206-E1214 IonicContact NH2-OE2 3Å
1207	A	79.1	Confident	75.2	Confident	82 Å²	82	57.2 Å²	57.2	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-73.1	-22.5	172.7	0	0	0	0	0	112.7	A1203 W1204 L1205	A1203-A1207 WeakPolarHBondContact O-CB 3.41Å; A1203-A1207 PolarHBondContact O-N 3.4Å; A1203-A1207 VanDerWaalsContact O-N 3.1Å; W1204-A1207 WeakPolarHBondContact O-CB 3.39Å; W1204-A1207 PolarHBondContact O-N 2.7Å; L1205-A1207 VanDerWaalsContact C-N 3.31Å; L1205-A1207 PolarHBondContact O-N 2.81Å
1208	I	86.4	Confident	77.2	Confident	38 Å²	38	56.9 Å²	56.9	20%	0.195	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	2.9	176.3	63.6	178.3	0	0	0	113.4	W1204 L1205 R1206 L1210 L1250 T1253	W1204-I1208 HydrophobicContact CD2-CD1 4.42Å; W1204-I1208 HydrophobicContact CE3-CD1 4.44Å; W1204-I1208 HydrophobicContact CH2-CD1 3.8Å; W1204-I1208 HydrophobicContact CZ2-CD1 3.76Å; W1204-I1208 HydrophobicContact CZ3-CD1 4.16Å; W1204-I1208 PolarHBondContact O-N 2.88Å; L1205-I1208 HydrophobicContact CD2-CD1 4.4Å; L1205-I1208 CarbonylContact O-C 3.51Å; L1205-I1208 WeakPolarHBondContact O-CG1 3.46Å; L1205-I1208 PolarHBondContact O-N 3.07Å; R1206-I1208 VanDerWaalsContact C-N 3.29Å; I1208-L1210 HydrophobicContact CD1-CB 4.42Å; I1208-L1210 HydrophobicContact CD1-CD1 3.86Å; I1208-L1210 HydrophobicContact CD1-CG 4.28Å; I1208-L1210 HydrophobicContact CG1-CB 4.1Å; I1208-L1210 HydrophobicContact CG1-CD1 4.11Å; I1208-L1210 HydrophobicContact CG1-CG 3.98Å; I1208-L1250 HydrophobicContact CD1-CD2 3.71Å; I1208-T1253 HydrophobicContact CG2-CG2 4.05Å
1209	G	85.3	Confident	78.3	Confident	51 Å²	51	54.6 Å²	54.6	53%	0.526	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	23	176.3	0	0	0	0	0	115.3	L1205 E1211	L1205-G1209 PolarHBondContact O-N 3.06Å; G1209-E1211 WeakPolarHBondContact CA-OE2 3.31Å
1210	L	91.2	Very high	79	Confident	3 Å²	3	55 Å²	55	2%	0.016	31%	0.309	C	S	.	.			trans	-118.2	19	-171.7	-57.6	-172.6	0	0	0	113.7	L1205 I1208 R1212 Y1213 H1246 L1249 L1250	L1205-L1210 HydrophobicContact CD2-CB 4.12Å; L1205-L1210 PolarHBondContact O-N 3.06Å; I1208-L1210 HydrophobicContact CD1-CB 4.42Å; I1208-L1210 HydrophobicContact CD1-CD1 3.86Å; I1208-L1210 HydrophobicContact CD1-CG 4.28Å; I1208-L1210 HydrophobicContact CG1-CB 4.1Å; I1208-L1210 HydrophobicContact CG1-CD1 4.11Å; I1208-L1210 HydrophobicContact CG1-CG 3.98Å; L1210-R1212 PolarHBondContact O-N 2.83Å; L1210-Y1213 HydrophobicContact CB-CD2 4.18Å; L1210-Y1213 HydrophobicContact CD2-CE2 4.43Å; L1210-Y1213 PolarHBondContact O-N 3.2Å; L1210-H1246 HydrophobicContact CD2-CB 4.25Å; L1210-H1246 WeakPolarHBondContact CD2-CD2 3.29Å; L1210-L1249 HydrophobicContact CD1-CB 4.39Å; L1210-L1249 HydrophobicContact CD1-CD2 4.1Å; L1210-L1249 HydrophobicContact CD1-CG 4.26Å; L1210-L1249 HydrophobicContact CD2-CD2 4.48Å; L1210-L1249 HydrophobicContact CG-CD2 4.41Å; L1210-L1250 HydrophobicContact CD1-CD1 4.2Å; L1210-L1250 HydrophobicContact CD1-CD2 3.68Å; L1210-L1250 HydrophobicContact CD1-CG 3.56Å
1211	E	86.6	Confident	78.9	Confident	51 Å²	51	53.8 Å²	53.8	24%	0.238	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-55.1	-22.6	-179.7	61.2	-95.2	-137.2	0	0	114.2	R1206 G1209 Y1213 E1214	R1206-E1211 HydrophobicContact CB-CB 4.22Å; R1206-E1211 HydrophobicContact CG-CB 4.49Å; G1209-E1211 WeakPolarHBondContact CA-OE2 3.31Å; E1211-Y1213 PolarHBondContact O-N 3.09Å; E1211-Y1213 VanDerWaalsContact O-N 3.11Å; E1211-E1214 WeakPolarHBondContact O-CB 3.39Å; E1211-E1214 PolarHBondContact O-N 3.06Å
1212	R	85.7	Confident	79	Confident	139 Å²	139	54.9 Å²	54.9	53%	0.525	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64.5	-12	176.1	80.9	-176.2	-157.8	-95.2	9.8	114.6	L1210 H1246	L1210-R1212 PolarHBondContact O-N 2.83Å; R1212-H1246 PolarHBondContact NH1-CE1 2.96Å; R1212-H1246 VanDerWaalsContact NH1-CE1 3.3Å; R1212-H1246 PolarHBondContact NH1-NE2 3.41Å; R1212-H1246 PolarHBondContact NH2-CE1 2.9Å; R1212-H1246 VanDerWaalsContact NH2-CE1 3.31Å; R1212-H1246 PolarHBondContact NH2-ND1 3.4Å
1213	Y	87.4	Confident	78.7	Confident	19 Å²	19	57.9 Å²	57.9	8%	0.075	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-101.9	1.3	175	-59.1	-65	0	0	0	113	L1210 E1211 E1215 G1216 L1217 G1240 V1241 H1246	L1210-Y1213 HydrophobicContact CB-CD2 4.18Å; L1210-Y1213 HydrophobicContact CD2-CE2 4.43Å; L1210-Y1213 PolarHBondContact O-N 3.2Å; E1211-Y1213 PolarHBondContact O-N 3.09Å; E1211-Y1213 VanDerWaalsContact O-N 3.11Å; Y1213-E1215 VanDerWaalsContact C-N 3.33Å; Y1213-E1215 PolarHBondContact O-N 3.38Å; Y1213-G1216 PolarHBondContact O-N 3.32Å; Y1213-L1217 WeakPolarHBondContact O-CB 3.41Å; Y1213-L1217 WeakPolarHBondContact O-CG 3.22Å; Y1213-L1217 PolarHBondContact O-N 3.39Å; Y1213-G1240 WeakPolarHBondContact CE1-O 3.2Å; Y1213-V1241 HydrophobicContact CD1-CB 4.4Å; Y1213-V1241 HydrophobicContact CD1-CG2 3.75Å; Y1213-V1241 HydrophobicContact CD2-CG1 4.38Å; Y1213-V1241 HydrophobicContact CD2-CG2 4.25Å; Y1213-V1241 HydrophobicContact CE1-CB 4.15Å; Y1213-V1241 HydrophobicContact CE1-CG1 4.19Å; Y1213-V1241 HydrophobicContact CE1-CG2 4.02Å; Y1213-V1241 HydrophobicContact CE2-CG1 3.92Å; Y1213-V1241 HydrophobicContact CE2-CG2 4.5Å; Y1213-V1241 HydrophobicContact CG-CG2 3.84Å; Y1213-H1246 HydrophobicContact CE2-CB 3.82Å; Y1213-H1246 AromaticContact CE2-CG 4Å; Y1213-H1246 PolarHBondContact OH-ND1 2.87Å
1214	E	83.9	Confident	78.3	Confident	66 Å²	66	57.2 Å²	57.2	31%	0.308	30%	0.302	S	S	.	.	H	α-helix	trans	-54.1	-48.8	-179	-178.1	167.4	178.6	0	0	111.2	M1201 G1202 L1205 R1206 E1211 V1218	M1201-E1214 HydrophobicContact SD-CB 4.5Å; M1201-E1214 HydrophobicContact SD-CG 3.92Å; G1202-E1214 VanDerWaalsContact CA-OE1 3.27Å; G1202-E1214 WeakPolarHBondContact CA-OE1 3.36Å; G1202-E1214 WeakPolarHBondContact CA-OE2 3.5Å; L1205-E1214 VanDerWaalsContact CD1-CA 3.43Å; L1205-E1214 HydrophobicContact CD1-CB 3.77Å; L1205-E1214 HydrophobicContact CD1-CG 4.41Å; R1206-E1214 IonicContact NH2-OE2 3Å; E1211-E1214 WeakPolarHBondContact O-CB 3.39Å; E1211-E1214 PolarHBondContact O-N 3.06Å; E1214-V1218 WeakPolarHBondContact O-CB 3.38Å; E1214-V1218 WeakPolarHBondContact O-CG2 3.38Å; E1214-V1218 PolarHBondContact O-N 3.05Å
1215	E	75.9	Confident	77.1	Confident	123 Å²	123	58.9 Å²	58.9	58%	0.575	31%	0.313	S	S	*	.	H	α-helix	trans	-66.3	-47.8	179.8	-164.3	-166.8	171.4	0	0	112.8	Y1213 L1217 V1218 H1219	Y1213-E1215 VanDerWaalsContact C-N 3.33Å; Y1213-E1215 PolarHBondContact O-N 3.38Å; E1215-L1217 VanDerWaalsContact C-N 3.34Å; E1215-L1217 PolarHBondContact O-N 3.43Å; E1215-V1218 PolarHBondContact O-N 3.44Å; E1215-H1219 VanDerWaalsContact O-CB 3.29Å; E1215-H1219 WeakPolarHBondContact O-CB 3.29Å; E1215-H1219 PolarHBondContact O-N 3.09Å
1216	G	75.9	Confident	75.8	Confident	26 Å²	26	66.1 Å²	66.1	27%	0.268	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-36.5	-178	0	0	0	0	0	113.5	Y1213 N1220	Y1213-G1216 PolarHBondContact O-N 3.32Å; G1216-N1220 PolarHBondContact O-N 3.07Å; G1216-N1220 PolarHBondContact O-ND2 3.05Å
1217	L	80	Confident	74.5	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-70.8	-45.5	173.5	-75.6	165.2	0	0	0	111.5	M1201 L1205 Y1213 E1215 H1219 N1220 G1221 W1222 L1228 I1231 L1236 A1239	M1201-L1217 HydrophobicContact CE-CB 3.32Å; M1201-L1217 HydrophobicContact CE-CD1 4.01Å; M1201-L1217 HydrophobicContact CE-CG 4.3Å; L1205-L1217 HydrophobicContact CD1-CD1 4.07Å; L1205-L1217 HydrophobicContact CD2-CD1 4.09Å; Y1213-L1217 WeakPolarHBondContact O-CB 3.41Å; Y1213-L1217 WeakPolarHBondContact O-CG 3.22Å; Y1213-L1217 PolarHBondContact O-N 3.39Å; E1215-L1217 VanDerWaalsContact C-N 3.34Å; E1215-L1217 PolarHBondContact O-N 3.43Å; L1217-H1219 VanDerWaalsContact C-N 3.35Å; L1217-H1219 PolarHBondContact O-N 3.46Å; L1217-N1220 PolarHBondContact O-N 3.32Å; L1217-G1221 PolarHBondContact O-N 3.24Å; L1217-W1222 HydrophobicContact CB-CB 4.24Å; L1217-W1222 HydrophobicContact CD2-CB 4.24Å; L1217-W1222 HydrophobicContact CD2-CG 4.31Å; L1217-W1222 WeakPolarHBondContact O-CB 3.33Å; L1217-W1222 PolarHBondContact O-N 3.11Å; L1217-L1228 HydrophobicContact CD2-CD2 4.21Å; L1217-I1231 HydrophobicContact CD2-CD1 3.42Å; L1217-I1231 VanDerWaalsContact CD2-CD1 3.42Å; L1217-L1236 HydrophobicContact CD2-CD2 4.25Å; L1217-A1239 HydrophobicContact CD2-CB 3.6Å; L1217-A1239 HydrophobicContact CG-CB 3.98Å
1218	V	75.7	Confident	73.7	Confident	68 Å²	68	60 Å²	60	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-40.9	175.9	168.3	0	0	0	0	111.6	M1201 E1214 E1215 N1220 G1221 D1223	M1201-V1218 HydrophobicContact CE-CG2 3.83Å; M1201-V1218 HydrophobicContact SD-CG2 4.18Å; E1214-V1218 WeakPolarHBondContact O-CB 3.38Å; E1214-V1218 WeakPolarHBondContact O-CG2 3.38Å; E1214-V1218 PolarHBondContact O-N 3.05Å; E1215-V1218 PolarHBondContact O-N 3.44Å; V1218-N1220 VanDerWaalsContact C-N 3.33Å; V1218-N1220 PolarHBondContact O-N 3.22Å; V1218-G1221 WeakPolarHBondContact O-CA 3.34Å; V1218-G1221 PolarHBondContact O-N 3.01Å; V1218-D1223 HydrophobicContact CG2-CB 4.43Å
1219	H	65.8	Low	72.6	Confident	158 Å²	158	59.8 Å²	59.8	73%	0.731	31%	0.311	S	S	*	.	H	α-helix	trans	-62.6	-38.5	180	-164.9	98.6	0	0	0	112.3	E1215 L1217 G1221	E1215-H1219 VanDerWaalsContact O-CB 3.29Å; E1215-H1219 WeakPolarHBondContact O-CB 3.29Å; E1215-H1219 PolarHBondContact O-N 3.09Å; L1217-H1219 VanDerWaalsContact C-N 3.35Å; L1217-H1219 PolarHBondContact O-N 3.46Å; H1219-G1221 PolarHBondContact O-N 2.7Å
1220	N	63.7	Low	71.5	Confident	47 Å²	47	61.4 Å²	61.4	25%	0.251	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2	174.2	-72.3	-71.1	0	0	0	113.4	K568 G1216 L1217 V1218 E1238 A1239	K568-N1220 PolarHBondContact NZ-O 3.45Å; G1216-N1220 PolarHBondContact O-N 3.07Å; G1216-N1220 PolarHBondContact O-ND2 3.05Å; L1217-N1220 PolarHBondContact O-N 3.32Å; V1218-N1220 VanDerWaalsContact C-N 3.33Å; V1218-N1220 PolarHBondContact O-N 3.22Å; N1220-E1238 PolarHBondContact ND2-O 3.44Å; N1220-A1239 WeakPolarHBondContact ND2-CA 3.21Å
1221	G	58	Low	70.8	Confident	20 Å²	20	61.8 Å²	61.8	21%	0.206	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	41.6	174	0	0	0	0	0	113.7	L1217 V1218 H1219	L1217-G1221 PolarHBondContact O-N 3.24Å; V1218-G1221 WeakPolarHBondContact O-CA 3.34Å; V1218-G1221 PolarHBondContact O-N 3.01Å; H1219-G1221 PolarHBondContact O-N 2.7Å
1222	W	77.4	Confident	70.5	Confident	37 Å²	37	62.4 Å²	62.4	14%	0.14	32%	0.316	C	S	.	.			trans	-105.6	48.4	166.6	-56.4	102	0	0	0	110.1	L1217 D1224 F1227 L1228 I1231 D1235	L1217-W1222 HydrophobicContact CB-CB 4.24Å; L1217-W1222 HydrophobicContact CD2-CB 4.24Å; L1217-W1222 HydrophobicContact CD2-CG 4.31Å; L1217-W1222 WeakPolarHBondContact O-CB 3.33Å; L1217-W1222 PolarHBondContact O-N 3.11Å; W1222-D1224 VanDerWaalsContact C-N 3.31Å; W1222-D1224 PolarHBondContact O-N 2.8Å; W1222-F1227 VanDerWaalsContact CZ3-O 3.32Å; W1222-F1227 WeakPolarHBondContact CZ3-O 3.45Å; W1222-L1228 HydrophobicContact CB-CD2 3.78Å; W1222-L1228 HydrophobicContact CB-CG 4.02Å; W1222-L1228 HydrophobicContact CG-CD2 4.46Å; W1222-I1231 HydrophobicContact CD2-CB 4.34Å; W1222-I1231 HydrophobicContact CD2-CD1 3.71Å; W1222-I1231 HydrophobicContact CD2-CG1 3.89Å; W1222-I1231 HydrophobicContact CE3-CB 4.02Å; W1222-I1231 HydrophobicContact CE3-CD1 4.23Å; W1222-I1231 HydrophobicContact CE3-CG1 4.08Å; W1222-I1231 HydrophobicContact CG-CD1 3.82Å; W1222-I1231 HydrophobicContact CH2-CB 4.16Å; W1222-I1231 HydrophobicContact CH2-CG1 4.06Å; W1222-I1231 HydrophobicContact CZ2-CB 4.48Å; W1222-I1231 HydrophobicContact CZ2-CD1 4.47Å; W1222-I1231 HydrophobicContact CZ2-CG1 3.89Å; W1222-I1231 HydrophobicContact CZ3-CB 3.9Å; W1222-I1231 HydrophobicContact CZ3-CG1 4.15Å; W1222-D1235 HydrophobicContact CZ2-CB 3.62Å; W1222-D1235 WeakPolarHBondContact CZ2-OD1 3.35Å
1223	D	69.4	Low	70.1	Confident	71 Å²	71	60.7 Å²	60.7	38%	0.38	31%	0.314	S	S	.	.			trans	-80.5	-4	-172	60.5	-54.8	0	0	0	114.9	V1218	V1218-D1223 HydrophobicContact CG2-CB 4.43Å
1224	D	67.2	Low	69.4	Low	38 Å²	38	67.3 Å²	67.3	20%	0.203	35%	0.346	C	S	.	.	S	Bend	trans	-143.9	135.1	-168.1	-178.3	-21.2	0	0	0	110.4	W1222 E1226 F1227 L1228	W1222-D1224 VanDerWaalsContact C-N 3.31Å; W1222-D1224 PolarHBondContact O-N 2.8Å; D1224-E1226 VanDerWaalsContact C-N 3.32Å; D1224-E1226 PolarHBondContact O-N 3.46Å; D1224-E1226 PolarHBondContact OD1-N 3.27Å; D1224-F1227 HydrophobicContact CB-CD2 3.66Å; D1224-F1227 HydrophobicContact CB-CE2 4.15Å; D1224-F1227 PolarHBondContact O-N 3.02Å; D1224-F1227 VanDerWaalsContact O-N 3.14Å; D1224-L1228 PolarHBondContact O-N 3.37Å
1225	L	57.9	Low	69.1	Low	56 Å²	56	66.3 Å²	66.3	29%	0.293	34%	0.343	S	S	.	.	H	α-helix	trans	-67.6	-28	-171	-73.9	168.8	0	0	0	113.3	A1199 W1204 F1227 L1228 S1229	A1199-L1225 VanDerWaalsContact O-CD1 3.27Å; A1199-L1225 WeakPolarHBondContact O-CD1 3.49Å; W1204-L1225 HydrophobicContact CB-CD1 4.29Å; W1204-L1225 HydrophobicContact CB-CD2 3.95Å; W1204-L1225 HydrophobicContact CD2-CD2 3.79Å; W1204-L1225 HydrophobicContact CE3-CD2 3.89Å; W1204-L1225 HydrophobicContact CG-CD2 3.81Å; L1225-F1227 PolarHBondContact O-N 3.34Å; L1225-L1228 HydrophobicContact CD2-CD1 3.93Å; L1225-S1229 PolarHBondContact O-N 3.01Å
1226	E	56.2	Low	69.5	Low	152 Å²	152	60.5 Å²	60.5	71%	0.71	32%	0.315	S	S	*	.	H	α-helix	trans	-60.9	-37.2	173.9	-68.2	-170.9	173.2	0	0	110.9	D1224 S1229	D1224-E1226 VanDerWaalsContact C-N 3.32Å; D1224-E1226 PolarHBondContact O-N 3.46Å; D1224-E1226 PolarHBondContact OD1-N 3.27Å; E1226-S1229 PolarHBondContact O-OG 3.4Å
1227	F	55.5	Low	69.9	Low	95 Å²	95	64.1 Å²	64.1	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-85.6	-40.6	-176.8	-58.5	-93.9	0	0	0	112.3	W1222 D1224 L1225 S1229 D1230	W1222-F1227 VanDerWaalsContact CZ3-O 3.32Å; W1222-F1227 WeakPolarHBondContact CZ3-O 3.45Å; D1224-F1227 HydrophobicContact CB-CD2 3.66Å; D1224-F1227 HydrophobicContact CB-CE2 4.15Å; D1224-F1227 PolarHBondContact O-N 3.02Å; D1224-F1227 VanDerWaalsContact O-N 3.14Å; L1225-F1227 PolarHBondContact O-N 3.34Å; F1227-S1229 PolarHBondContact O-N 3.37Å; F1227-D1230 PolarHBondContact O-N 3.32Å
1228	L	62.5	Low	69.6	Low	2 Å²	2	71.1 Å²	71.1	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-50.6	-31.9	172.5	-89.9	162.4	0	0	0	112.4	M1201 W1204 L1217 W1222 D1224 L1225 D1230 I1231 L1254	M1201-L1228 HydrophobicContact CB-CD1 4.33Å; M1201-L1228 HydrophobicContact CE-CD1 4.47Å; M1201-L1228 HydrophobicContact CG-CD1 3.44Å; M1201-L1228 VanDerWaalsContact CG-CD1 3.44Å; W1204-L1228 HydrophobicContact CZ3-CD1 4.38Å; L1217-L1228 HydrophobicContact CD2-CD2 4.21Å; W1222-L1228 HydrophobicContact CB-CD2 3.78Å; W1222-L1228 HydrophobicContact CB-CG 4.02Å; W1222-L1228 HydrophobicContact CG-CD2 4.46Å; D1224-L1228 PolarHBondContact O-N 3.37Å; L1225-L1228 HydrophobicContact CD2-CD1 3.93Å; L1228-D1230 PolarHBondContact O-N 3.42Å; L1228-I1231 HydrophobicContact CD2-CD1 4.12Å; L1228-I1231 WeakPolarHBondContact O-CB 3.38Å; L1228-I1231 WeakPolarHBondContact O-CG2 3.37Å; L1228-I1231 PolarHBondContact O-N 2.94Å; L1228-L1254 HydrophobicContact CB-CD2 3.98Å; L1228-L1254 VanDerWaalsContact O-CD1 3.31Å; L1228-L1254 WeakPolarHBondContact O-CD1 3.27Å
1229	S	63.7	Low	69.8	Low	33 Å²	33	68 Å²	68	23%	0.231	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.2	179.7	90.7	0	0	0	0	115	L1225 E1226 F1227 K1258	L1225-S1229 PolarHBondContact O-N 3.01Å; E1226-S1229 PolarHBondContact O-OG 3.4Å; F1227-S1229 PolarHBondContact O-N 3.37Å; S1229-K1258 WeakPolarHBondContact O-CE 3.43Å; S1229-K1258 PolarHBondContact O-NZ 2.9Å; S1229-K1258 WeakPolarHBondContact OG-CE 3.42Å; S1229-K1258 PolarHBondContact OG-NZ 2.94Å
1230	D	63	Low	70.7	Confident	85 Å²	85	62.4 Å²	62.4	46%	0.455	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	15.1	177.2	-71.4	-10.1	0	0	0	113.5	F1227 L1228 K1258	F1227-D1230 PolarHBondContact O-N 3.32Å; L1228-D1230 PolarHBondContact O-N 3.42Å; D1230-K1258 IonicContact OD1-NZ 3.73Å; D1230-K1258 PolarHBondContact OD1-NZ 3.44Å
1231	I	76.3	Confident	71.9	Confident	10 Å²	10	60.1 Å²	60.1	5%	0.051	31%	0.312	C	S	.	.			trans	-65.7	136.2	179.2	-161.6	169.5	0	0	0	112.2	L1217 W1222 L1228 D1235 L1236 L1251 L1254	L1217-I1231 HydrophobicContact CD2-CD1 3.42Å; L1217-I1231 VanDerWaalsContact CD2-CD1 3.42Å; W1222-I1231 HydrophobicContact CD2-CB 4.34Å; W1222-I1231 HydrophobicContact CD2-CD1 3.71Å; W1222-I1231 HydrophobicContact CD2-CG1 3.89Å; W1222-I1231 HydrophobicContact CE3-CB 4.02Å; W1222-I1231 HydrophobicContact CE3-CD1 4.23Å; W1222-I1231 HydrophobicContact CE3-CG1 4.08Å; W1222-I1231 HydrophobicContact CG-CD1 3.82Å; W1222-I1231 HydrophobicContact CH2-CB 4.16Å; W1222-I1231 HydrophobicContact CH2-CG1 4.06Å; W1222-I1231 HydrophobicContact CZ2-CB 4.48Å; W1222-I1231 HydrophobicContact CZ2-CD1 4.47Å; W1222-I1231 HydrophobicContact CZ2-CG1 3.89Å; W1222-I1231 HydrophobicContact CZ3-CB 3.9Å; W1222-I1231 HydrophobicContact CZ3-CG1 4.15Å; L1228-I1231 HydrophobicContact CD2-CD1 4.12Å; L1228-I1231 WeakPolarHBondContact O-CB 3.38Å; L1228-I1231 WeakPolarHBondContact O-CG2 3.37Å; L1228-I1231 PolarHBondContact O-N 2.94Å; I1231-D1235 HydrophobicContact CD1-CB 4.3Å; I1231-D1235 HydrophobicContact CG1-CB 3.6Å; I1231-L1236 HydrophobicContact CD1-CD2 3.76Å; I1231-L1236 HydrophobicContact CD1-CG 3.94Å; I1231-L1236 HydrophobicContact CG1-CD2 4.46Å; I1231-L1236 HydrophobicContact CG1-CG 4.13Å; I1231-L1236 HydrophobicContact CG2-CD1 4.46Å; I1231-L1236 HydrophobicContact CG2-CG 4.4Å; I1231-L1251 HydrophobicContact CG2-CD2 4.12Å; I1231-L1251 WeakPolarHBondContact O-CD2 3.27Å; I1231-L1254 HydrophobicContact CG2-CD1 3.7Å
1232	T	79.1	Confident	73.2	Confident	65 Å²	65	66.7 Å²	66.7	40%	0.399	34%	0.337	S	S	.	.			trans	-94.2	171	176.9	74.7	0	0	0	0	112.7	E1234 D1235 L1236	T1232-E1234 VanDerWaalsContact C-N 3.28Å; T1232-E1234 PolarHBondContact O-N 3Å; T1232-E1234 PolarHBondContact OG1-N 2.88Å; T1232-D1235 VanDerWaalsContact CB-OD2 3.23Å; T1232-D1235 WeakPolarHBondContact CB-OD2 3.35Å; T1232-D1235 WeakPolarHBondContact CG2-OD2 3.49Å; T1232-D1235 PolarHBondContact N-OD2 3.15Å; T1232-D1235 PolarHBondContact O-N 3.34Å; T1232-D1235 VanDerWaalsContact OG1-CG 3.25Å; T1232-D1235 PolarHBondContact OG1-N 3.17Å; T1232-D1235 PolarHBondContact OG1-OD2 2.8Å; T1232-L1236 WeakPolarHBondContact O-CB 3.49Å; T1232-L1236 WeakPolarHBondContact O-CG 3.46Å; T1232-L1236 PolarHBondContact O-N 2.64Å
1233	E	78	Confident	73.8	Confident	102 Å²	102	67.7 Å²	67.7	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-67.9	-28.2	175.4	-157.5	-178	157	0	0	112.7	E1237 K1247	E1233-E1237 PolarHBondContact O-N 3.49Å; E1233-E1237 VanDerWaalsContact O-N 3.15Å; E1233-K1247 HydrophobicContact CG-CD 3.81Å; E1233-K1247 HydrophobicContact CG-CG 4.42Å; E1233-K1247 WeakPolarHBondContact OE1-CD 3.15Å; E1233-K1247 WeakPolarHBondContact OE1-CE 3.48Å; E1233-K1247 IonicContact OE1-NZ 3.51Å; E1233-K1247 PolarHBondContact OE1-NZ 3.04Å
1234	E	73.2	Confident	74.4	Confident	159 Å²	159	68.8 Å²	68.8	74%	0.743	36%	0.357	S	S	*	.	H	α-helix	trans	-72	-44	174.3	-62.7	-178.6	157.4	0	0	110.9	T1232 L1236 E1237 E1238	T1232-E1234 VanDerWaalsContact C-N 3.28Å; T1232-E1234 PolarHBondContact O-N 3Å; T1232-E1234 PolarHBondContact OG1-N 2.88Å; E1234-L1236 PolarHBondContact O-N 2.74Å; E1234-E1237 PolarHBondContact O-N 3.25Å; E1234-E1237 VanDerWaalsContact O-N 3.09Å; E1234-E1238 PolarHBondContact O-N 2.9Å
1235	D	76.6	Confident	75.1	Confident	44 Å²	44	70 Å²	70	24%	0.235	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-34.2	174.1	-59.5	-66	0	0	0	111.9	W1222 I1231 T1232 A1239	W1222-D1235 HydrophobicContact CZ2-CB 3.62Å; W1222-D1235 WeakPolarHBondContact CZ2-OD1 3.35Å; I1231-D1235 HydrophobicContact CD1-CB 4.3Å; I1231-D1235 HydrophobicContact CG1-CB 3.6Å; T1232-D1235 VanDerWaalsContact CB-OD2 3.23Å; T1232-D1235 WeakPolarHBondContact CB-OD2 3.35Å; T1232-D1235 WeakPolarHBondContact CG2-OD2 3.49Å; T1232-D1235 PolarHBondContact N-OD2 3.15Å; T1232-D1235 PolarHBondContact O-N 3.34Å; T1232-D1235 VanDerWaalsContact OG1-CG 3.25Å; T1232-D1235 PolarHBondContact OG1-N 3.17Å; T1232-D1235 PolarHBondContact OG1-OD2 2.8Å; D1235-A1239 VanDerWaalsContact O-CB 3.29Å; D1235-A1239 WeakPolarHBondContact O-CB 3.22Å; D1235-A1239 PolarHBondContact O-N 2.89Å
1236	L	84.6	Confident	76.7	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-67.5	-37.4	174.2	-78.7	168.5	0	0	0	112.1	L1217 I1231 T1232 E1234 A1239 G1240 V1241 K1247 L1250 L1251	L1217-L1236 HydrophobicContact CD2-CD2 4.25Å; I1231-L1236 HydrophobicContact CD1-CD2 3.76Å; I1231-L1236 HydrophobicContact CD1-CG 3.94Å; I1231-L1236 HydrophobicContact CG1-CD2 4.46Å; I1231-L1236 HydrophobicContact CG1-CG 4.13Å; I1231-L1236 HydrophobicContact CG2-CD1 4.46Å; I1231-L1236 HydrophobicContact CG2-CG 4.4Å; T1232-L1236 WeakPolarHBondContact O-CB 3.49Å; T1232-L1236 WeakPolarHBondContact O-CG 3.46Å; T1232-L1236 PolarHBondContact O-N 2.64Å; E1234-L1236 PolarHBondContact O-N 2.74Å; L1236-A1239 CarbonylContact O-C 3.53Å; L1236-A1239 PolarHBondContact O-N 3.28Å; L1236-G1240 PolarHBondContact O-N 3.33Å; L1236-V1241 HydrophobicContact CB-CB 4.18Å; L1236-V1241 HydrophobicContact CD2-CB 4.19Å; L1236-V1241 HydrophobicContact CD2-CG2 3.84Å; L1236-V1241 WeakPolarHBondContact O-CA 3.37Å; L1236-V1241 VanDerWaalsContact O-CB 3.22Å; L1236-V1241 WeakPolarHBondContact O-CB 3.44Å; L1236-V1241 WeakPolarHBondContact O-CG2 3.27Å; L1236-V1241 PolarHBondContact O-N 3.4Å; L1236-K1247 HydrophobicContact CB-CG 4.3Å; L1236-K1247 HydrophobicContact CD1-CB 4.35Å; L1236-K1247 HydrophobicContact CD1-CG 4.45Å; L1236-L1250 HydrophobicContact CD2-CB 4.46Å; L1236-L1250 HydrophobicContact CD2-CD1 3.54Å; L1236-L1251 HydrophobicContact CD1-CD1 4.06Å; L1236-L1251 HydrophobicContact CD1-CD2 3.94Å; L1236-L1251 HydrophobicContact CD1-CG 3.8Å
1237	E	83.6	Confident	78.2	Confident	103 Å²	103	62.5 Å²	62.5	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-66.9	-42.5	172.8	-72.2	-174.7	179.3	0	0	112.2	E1233 E1234 A1239 G1240 K1247	E1233-E1237 PolarHBondContact O-N 3.49Å; E1233-E1237 VanDerWaalsContact O-N 3.15Å; E1234-E1237 PolarHBondContact O-N 3.25Å; E1234-E1237 VanDerWaalsContact O-N 3.09Å; E1237-A1239 VanDerWaalsContact C-N 3.26Å; E1237-A1239 PolarHBondContact O-N 2.67Å; E1237-G1240 WeakPolarHBondContact O-CA 3.48Å; E1237-G1240 PolarHBondContact O-N 3.03Å; E1237-K1247 VanDerWaalsContact CG-CE 3.41Å; E1237-K1247 IonicContact OE1-NZ 2.98Å; E1237-K1247 PolarHBondContact OE1-NZ 2.99Å
1238	E	75.4	Confident	79.5	Confident	147 Å²	147	66 Å²	66	69%	0.687	35%	0.346	S	S	*	.	H	α-helix	trans	-65.9	-30	176	-163.4	169.4	-148.2	0	0	111.9	N1220 E1234 G1240	N1220-E1238 PolarHBondContact ND2-O 3.44Å; E1234-E1238 PolarHBondContact O-N 2.9Å; E1238-G1240 PolarHBondContact O-N 3.47Å
1239	A	79.9	Confident	80.6	Confident	4 Å²	4	69.3 Å²	69.3	3%	0.033	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	3.9	168.4	0	0	0	0	0	115.1	L1217 N1220 D1235 L1236 E1237	L1217-A1239 HydrophobicContact CD2-CB 3.6Å; L1217-A1239 HydrophobicContact CG-CB 3.98Å; N1220-A1239 WeakPolarHBondContact ND2-CA 3.21Å; D1235-A1239 VanDerWaalsContact O-CB 3.29Å; D1235-A1239 WeakPolarHBondContact O-CB 3.22Å; D1235-A1239 PolarHBondContact O-N 2.89Å; L1236-A1239 CarbonylContact O-C 3.53Å; L1236-A1239 PolarHBondContact O-N 3.28Å; E1237-A1239 VanDerWaalsContact C-N 3.26Å; E1237-A1239 PolarHBondContact O-N 2.67Å
1240	G	84	Confident	81.6	Confident	39 Å²	39	67.9 Å²	67.9	40%	0.402	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	5.3	176.7	0	0	0	0	0	115.4	Y1213 L1236 E1237 E1238 Q1242	Y1213-G1240 WeakPolarHBondContact CE1-O 3.2Å; L1236-G1240 PolarHBondContact O-N 3.33Å; E1237-G1240 WeakPolarHBondContact O-CA 3.48Å; E1237-G1240 PolarHBondContact O-N 3.03Å; E1238-G1240 PolarHBondContact O-N 3.47Å; G1240-Q1242 PolarHBondContact O-N 3.31Å
1241	V	88.9	Confident	82.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.341	C	S	.	.			trans	-80.5	65.9	177	-162.9	0	0	0	0	110.4	Y1213 L1236 D1243 H1246 K1247 L1250	Y1213-V1241 HydrophobicContact CD1-CB 4.4Å; Y1213-V1241 HydrophobicContact CD1-CG2 3.75Å; Y1213-V1241 HydrophobicContact CD2-CG1 4.38Å; Y1213-V1241 HydrophobicContact CD2-CG2 4.25Å; Y1213-V1241 HydrophobicContact CE1-CB 4.15Å; Y1213-V1241 HydrophobicContact CE1-CG1 4.19Å; Y1213-V1241 HydrophobicContact CE1-CG2 4.02Å; Y1213-V1241 HydrophobicContact CE2-CG1 3.92Å; Y1213-V1241 HydrophobicContact CE2-CG2 4.5Å; Y1213-V1241 HydrophobicContact CG-CG2 3.84Å; L1236-V1241 HydrophobicContact CB-CB 4.18Å; L1236-V1241 HydrophobicContact CD2-CB 4.19Å; L1236-V1241 HydrophobicContact CD2-CG2 3.84Å; L1236-V1241 WeakPolarHBondContact O-CA 3.37Å; L1236-V1241 VanDerWaalsContact O-CB 3.22Å; L1236-V1241 WeakPolarHBondContact O-CB 3.44Å; L1236-V1241 WeakPolarHBondContact O-CG2 3.27Å; L1236-V1241 PolarHBondContact O-N 3.4Å; V1241-D1243 PolarHBondContact O-N 2.82Å; V1241-H1246 HydrophobicContact CG1-CB 3.94Å; V1241-K1247 HydrophobicContact CB-CG 4.38Å; V1241-K1247 HydrophobicContact CG1-CG 3.93Å; V1241-K1247 WeakPolarHBondContact O-CD 3.36Å; V1241-K1247 VanDerWaalsContact O-CE 3.28Å; V1241-K1247 WeakPolarHBondContact O-CE 3.36Å; V1241-K1247 WeakPolarHBondContact O-CG 3.47Å; V1241-L1250 HydrophobicContact CG1-CD1 3.89Å; V1241-L1250 HydrophobicContact CG2-CD1 4.11Å
1242	Q	84.8	Confident	82.7	Confident	157 Å²	157	68.3 Å²	68.3	73%	0.734	36%	0.355	S	S	*	.			trans	-74.3	-8.7	-178.1	-63.9	-176.3	-2.7	0	0	114.3	G1240 P1244	G1240-Q1242 PolarHBondContact O-N 3.31Å; Q1242-P1244 WeakPolarHBondContact O-CD 3.28Å
1243	D	89.9	Confident	82.5	Confident	58 Å²	58	66.5 Å²	66.5	31%	0.31	34%	0.343	S	S	.	.			trans	-90.2	118.3	-176	-175.9	-35.2	0	0	0	111.2	V1241 A1245 H1246 K1247	V1241-D1243 PolarHBondContact O-N 2.82Å; D1243-A1245 VanDerWaalsContact C-N 3.25Å; D1243-A1245 PolarHBondContact O-N 3.04Å; D1243-A1245 WeakPolarHBondContact OD1-CB 3.31Å; D1243-A1245 PolarHBondContact OD1-N 3.42Å; D1243-H1246 HydrophobicContact CB-CB 4.13Å; D1243-H1246 VanDerWaalsContact CB-ND1 3.27Å; D1243-H1246 WeakPolarHBondContact CB-ND1 3.33Å; D1243-H1246 PolarHBondContact O-N 3.3Å; D1243-H1246 VanDerWaalsContact O-N 3.11Å; D1243-H1246 IonicContact OD1-ND1 2.74Å; D1243-H1246 IonicContact OD2-CE1 3.64Å; D1243-H1246 PolarHBondContact OD2-CE1 3.11Å; D1243-H1246 IonicContact OD2-CG 3.74Å; D1243-H1246 IonicContact OD2-ND1 3.68Å; D1243-H1246 PolarHBondContact OD2-ND1 3.01Å; D1243-K1247 WeakPolarHBondContact O-CG 3.27Å; D1243-K1247 PolarHBondContact O-N 3.19Å
1244	P	81.9	Confident	82.3	Confident	94 Å²	94	62 Å²	62	61%	0.61	32%	0.323	S	S	*	.	H	α-helix	trans	-58.8	-30	-177.8	-25.7	35.4	0	0	0	114.9	Q1242 R1248	Q1242-P1244 WeakPolarHBondContact O-CD 3.28Å; P1244-R1248 VanDerWaalsContact O-CB 3.27Å; P1244-R1248 WeakPolarHBondContact O-CB 3.23Å; P1244-R1248 PolarHBondContact O-N 3.45Å; P1244-R1248 VanDerWaalsContact O-N 3.12Å
1245	A	82.2	Confident	81.8	Confident	63 Å²	63	60.5 Å²	60.5	52%	0.521	32%	0.316	S	S	.	.	H	α-helix	trans	-73.1	-39.2	177.9	0	0	0	0	0	111.1	D1243 L1249	D1243-A1245 VanDerWaalsContact C-N 3.25Å; D1243-A1245 PolarHBondContact O-N 3.04Å; D1243-A1245 WeakPolarHBondContact OD1-CB 3.31Å; D1243-A1245 PolarHBondContact OD1-N 3.42Å; A1245-L1249 WeakPolarHBondContact O-CB 3.28Å; A1245-L1249 PolarHBondContact O-N 2.94Å
1246	H	91.3	Very high	80.5	Confident	43 Å²	43	65.5 Å²	65.5	20%	0.199	34%	0.342	C	S	.	.	H	α-helix	trans	-72.4	-41.8	177.3	-61.8	124.2	0	0	0	112.2	L1210 R1212 Y1213 V1241 D1243 R1248 L1249 L1250	L1210-H1246 HydrophobicContact CD2-CB 4.25Å; L1210-H1246 WeakPolarHBondContact CD2-CD2 3.29Å; R1212-H1246 PolarHBondContact NH1-CE1 2.96Å; R1212-H1246 VanDerWaalsContact NH1-CE1 3.3Å; R1212-H1246 PolarHBondContact NH1-NE2 3.41Å; R1212-H1246 PolarHBondContact NH2-CE1 2.9Å; R1212-H1246 VanDerWaalsContact NH2-CE1 3.31Å; R1212-H1246 PolarHBondContact NH2-ND1 3.4Å; Y1213-H1246 HydrophobicContact CE2-CB 3.82Å; Y1213-H1246 AromaticContact CE2-CG 4Å; Y1213-H1246 PolarHBondContact OH-ND1 2.87Å; V1241-H1246 HydrophobicContact CG1-CB 3.94Å; D1243-H1246 HydrophobicContact CB-CB 4.13Å; D1243-H1246 VanDerWaalsContact CB-ND1 3.27Å; D1243-H1246 WeakPolarHBondContact CB-ND1 3.33Å; D1243-H1246 PolarHBondContact O-N 3.3Å; D1243-H1246 VanDerWaalsContact O-N 3.11Å; D1243-H1246 IonicContact OD1-ND1 2.74Å; D1243-H1246 IonicContact OD2-CE1 3.64Å; D1243-H1246 PolarHBondContact OD2-CE1 3.11Å; D1243-H1246 IonicContact OD2-CG 3.74Å; D1243-H1246 IonicContact OD2-ND1 3.68Å; D1243-H1246 PolarHBondContact OD2-ND1 3.01Å; H1246-R1248 VanDerWaalsContact C-N 3.34Å; H1246-R1248 PolarHBondContact O-N 3.12Å; H1246-L1249 PolarHBondContact O-N 3.49Å; H1246-L1250 WeakPolarHBondContact O-CG 3.48Å; H1246-L1250 PolarHBondContact O-N 3.24Å
1247	K	88.1	Confident	78.8	Confident	8 Å²	8	69.1 Å²	69.1	4%	0.035	37%	0.367	C	S	.	.	H	α-helix	trans	-51.8	-53.3	170.2	-74.6	167.8	146.7	-169.3	0	111.4	E1233 L1236 E1237 V1241 D1243 L1249 L1250 L1251	E1233-K1247 HydrophobicContact CG-CD 3.81Å; E1233-K1247 HydrophobicContact CG-CG 4.42Å; E1233-K1247 WeakPolarHBondContact OE1-CD 3.15Å; E1233-K1247 WeakPolarHBondContact OE1-CE 3.48Å; E1233-K1247 IonicContact OE1-NZ 3.51Å; E1233-K1247 PolarHBondContact OE1-NZ 3.04Å; L1236-K1247 HydrophobicContact CB-CG 4.3Å; L1236-K1247 HydrophobicContact CD1-CB 4.35Å; L1236-K1247 HydrophobicContact CD1-CG 4.45Å; E1237-K1247 VanDerWaalsContact CG-CE 3.41Å; E1237-K1247 IonicContact OE1-NZ 2.98Å; E1237-K1247 PolarHBondContact OE1-NZ 2.99Å; V1241-K1247 HydrophobicContact CB-CG 4.38Å; V1241-K1247 HydrophobicContact CG1-CG 3.93Å; V1241-K1247 WeakPolarHBondContact O-CD 3.36Å; V1241-K1247 VanDerWaalsContact O-CE 3.28Å; V1241-K1247 WeakPolarHBondContact O-CE 3.36Å; V1241-K1247 WeakPolarHBondContact O-CG 3.47Å; D1243-K1247 WeakPolarHBondContact O-CG 3.27Å; D1243-K1247 PolarHBondContact O-N 3.19Å; K1247-L1249 PolarHBondContact O-N 3.29Å; K1247-L1250 PolarHBondContact O-N 3.29Å; K1247-L1251 WeakPolarHBondContact O-CG 3.5Å; K1247-L1251 PolarHBondContact O-N 3.31Å
1248	R	83.6	Confident	76.8	Confident	170 Å²	170	72.6 Å²	72.6	64%	0.642	38%	0.381	S	S	*	.	H	α-helix	trans	-62.7	-43.1	-179.1	-178	171.5	-176.1	154.5	7.2	112.1	P1244 H1246 L1250 L1251 D1252	P1244-R1248 VanDerWaalsContact O-CB 3.27Å; P1244-R1248 WeakPolarHBondContact O-CB 3.23Å; P1244-R1248 PolarHBondContact O-N 3.45Å; P1244-R1248 VanDerWaalsContact O-N 3.12Å; H1246-R1248 VanDerWaalsContact C-N 3.34Å; H1246-R1248 PolarHBondContact O-N 3.12Å; R1248-L1250 VanDerWaalsContact C-N 3.32Å; R1248-L1250 PolarHBondContact O-N 3.1Å; R1248-L1251 PolarHBondContact O-N 3.45Å; R1248-D1252 VanDerWaalsContact CG-OD2 3.28Å; R1248-D1252 WeakPolarHBondContact CG-OD2 3.37Å; R1248-D1252 IonicContact NE-OD2 3.99Å; R1248-D1252 PolarHBondContact NE-OD2 3.01Å; R1248-D1252 VanDerWaalsContact O-CB 3.27Å; R1248-D1252 WeakPolarHBondContact O-CB 3.47Å; R1248-D1252 VanDerWaalsContact O-CG 3.28Å; R1248-D1252 PolarHBondContact O-N 3Å
1249	L	84.9	Confident	76.8	Confident	70 Å²	70	68.9 Å²	68.9	37%	0.366	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-39	178	-177.8	59.2	0	0	0	112.2	L1210 A1245 H1246 K1247 T1253	L1210-L1249 HydrophobicContact CD1-CB 4.39Å; L1210-L1249 HydrophobicContact CD1-CD2 4.1Å; L1210-L1249 HydrophobicContact CD1-CG 4.26Å; L1210-L1249 HydrophobicContact CD2-CD2 4.48Å; L1210-L1249 HydrophobicContact CG-CD2 4.41Å; A1245-L1249 WeakPolarHBondContact O-CB 3.28Å; A1245-L1249 PolarHBondContact O-N 2.94Å; H1246-L1249 PolarHBondContact O-N 3.49Å; K1247-L1249 PolarHBondContact O-N 3.29Å; L1249-T1253 HydrophobicContact CD1-CG2 3.94Å; L1249-T1253 WeakPolarHBondContact O-CB 3.2Å; L1249-T1253 WeakPolarHBondContact O-CG2 3.21Å; L1249-T1253 PolarHBondContact O-N 2.86Å; L1249-T1253 PolarHBondContact O-OG1 3.45Å
1250	L	84.1	Confident	76.7	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-62.3	-53.3	173.2	-70.5	162.5	0	0	0	111	W1204 L1205 I1208 L1210 L1236 V1241 H1246 K1247 R1248 D1252 T1253 L1254	W1204-L1250 HydrophobicContact CH2-CD2 3.53Å; W1204-L1250 HydrophobicContact CZ3-CD2 3.74Å; L1205-L1250 HydrophobicContact CD2-CD2 3.57Å; I1208-L1250 HydrophobicContact CD1-CD2 3.71Å; L1210-L1250 HydrophobicContact CD1-CD1 4.2Å; L1210-L1250 HydrophobicContact CD1-CD2 3.68Å; L1210-L1250 HydrophobicContact CD1-CG 3.56Å; L1236-L1250 HydrophobicContact CD2-CB 4.46Å; L1236-L1250 HydrophobicContact CD2-CD1 3.54Å; V1241-L1250 HydrophobicContact CG1-CD1 3.89Å; V1241-L1250 HydrophobicContact CG2-CD1 4.11Å; H1246-L1250 WeakPolarHBondContact O-CG 3.48Å; H1246-L1250 PolarHBondContact O-N 3.24Å; K1247-L1250 PolarHBondContact O-N 3.29Å; R1248-L1250 VanDerWaalsContact C-N 3.32Å; R1248-L1250 PolarHBondContact O-N 3.1Å; L1250-D1252 PolarHBondContact O-N 3.2Å; L1250-T1253 PolarHBondContact O-N 2.93Å; L1250-T1253 PolarHBondContact O-OG1 3.11Å; L1250-L1254 WeakPolarHBondContact O-CB 3.47Å; L1250-L1254 WeakPolarHBondContact O-CD1 3.47Å; L1250-L1254 WeakPolarHBondContact O-CG 3.34Å; L1250-L1254 PolarHBondContact O-N 3.2Å
1251	L	82.7	Confident	76.3	Confident	40 Å²	40	74.2 Å²	74.2	21%	0.209	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-43	-178.2	-65.8	170.8	0	0	0	112.6	I1231 L1236 K1247 R1248 Q1255	I1231-L1251 HydrophobicContact CG2-CD2 4.12Å; I1231-L1251 WeakPolarHBondContact O-CD2 3.27Å; L1236-L1251 HydrophobicContact CD1-CD1 4.06Å; L1236-L1251 HydrophobicContact CD1-CD2 3.94Å; L1236-L1251 HydrophobicContact CD1-CG 3.8Å; K1247-L1251 WeakPolarHBondContact O-CG 3.5Å; K1247-L1251 PolarHBondContact O-N 3.31Å; R1248-L1251 PolarHBondContact O-N 3.45Å; L1251-Q1255 WeakPolarHBondContact O-CG 3.13Å; L1251-Q1255 PolarHBondContact O-N 3.2Å
1252	D	79.8	Confident	75.5	Confident	64 Å²	64	78.5 Å²	78.5	34%	0.342	40%	0.404	S	S	.	.	H	α-helix	trans	-67.4	-38.6	178.8	-71.4	-12.1	0	0	0	110.9	R1248 L1250 L1256	R1248-D1252 VanDerWaalsContact CG-OD2 3.28Å; R1248-D1252 WeakPolarHBondContact CG-OD2 3.37Å; R1248-D1252 IonicContact NE-OD2 3.99Å; R1248-D1252 PolarHBondContact NE-OD2 3.01Å; R1248-D1252 VanDerWaalsContact O-CB 3.27Å; R1248-D1252 WeakPolarHBondContact O-CB 3.47Å; R1248-D1252 VanDerWaalsContact O-CG 3.28Å; R1248-D1252 PolarHBondContact O-N 3Å; L1250-D1252 PolarHBondContact O-N 3.2Å; D1252-L1256 VanDerWaalsContact O-CG 3.31Å; D1252-L1256 WeakPolarHBondContact O-CG 3.27Å; D1252-L1256 PolarHBondContact O-N 3.43Å; D1252-L1256 VanDerWaalsContact O-N 3.11Å
1253	T	75.7	Confident	74.9	Confident	27 Å²	27	73.6 Å²	73.6	17%	0.166	38%	0.384	C	S	.	.	H	α-helix	trans	-78.8	-27	178.1	54.5	0	0	0	0	114.1	W1204 I1208 L1249 L1250 L1256 S1257	W1204-T1253 WeakPolarHBondContact CZ2-OG1 3.14Å; I1208-T1253 HydrophobicContact CG2-CG2 4.05Å; L1249-T1253 HydrophobicContact CD1-CG2 3.94Å; L1249-T1253 WeakPolarHBondContact O-CB 3.2Å; L1249-T1253 WeakPolarHBondContact O-CG2 3.21Å; L1249-T1253 PolarHBondContact O-N 2.86Å; L1249-T1253 PolarHBondContact O-OG1 3.45Å; L1250-T1253 PolarHBondContact O-N 2.93Å; L1250-T1253 PolarHBondContact O-OG1 3.11Å; T1253-L1256 PolarHBondContact O-N 3.32Å; T1253-S1257 PolarHBondContact O-N 3.01Å
1254	L	72.3	Confident	73.9	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.037	39%	0.389	C	S	.	.	H	α-helix	trans	-68.2	-41.3	168.8	-72.5	163.1	0	0	0	111.1	W1204 L1228 I1231 L1250 L1256 S1257	W1204-L1254 HydrophobicContact CH2-CD1 3.97Å; W1204-L1254 HydrophobicContact CH2-CD2 3.61Å; W1204-L1254 HydrophobicContact CH2-CG 3.56Å; W1204-L1254 HydrophobicContact CZ2-CD1 4.48Å; W1204-L1254 HydrophobicContact CZ2-CD2 3.58Å; W1204-L1254 HydrophobicContact CZ2-CG 3.6Å; W1204-L1254 HydrophobicContact CZ3-CD2 4.31Å; L1228-L1254 HydrophobicContact CB-CD2 3.98Å; L1228-L1254 VanDerWaalsContact O-CD1 3.31Å; L1228-L1254 WeakPolarHBondContact O-CD1 3.27Å; I1231-L1254 HydrophobicContact CG2-CD1 3.7Å; L1250-L1254 WeakPolarHBondContact O-CB 3.47Å; L1250-L1254 WeakPolarHBondContact O-CD1 3.47Å; L1250-L1254 WeakPolarHBondContact O-CG 3.34Å; L1250-L1254 PolarHBondContact O-N 3.2Å; L1254-L1256 VanDerWaalsContact C-N 3.32Å; L1254-L1256 PolarHBondContact O-N 2.97Å; L1254-S1257 PolarHBondContact O-N 3.31Å; L1254-S1257 PolarHBondContact O-OG 3.01Å
1255	Q	62.7	Low	73.4	Confident	128 Å²	128	73.3 Å²	73.3	60%	0.598	37%	0.373	S	S	*	.	H	α-helix	trans	-63	-36.2	173.4	-75.3	174.6	50.4	0	0	112.8	L1251 S1257 K1258	L1251-Q1255 WeakPolarHBondContact O-CG 3.13Å; L1251-Q1255 PolarHBondContact O-N 3.2Å; Q1255-S1257 PolarHBondContact O-N 3.3Å; Q1255-K1258 PolarHBondContact O-N 2.84Å
1256	L	49.9	Very low	72.7	Confident	149 Å²	149	74.1 Å²	74.1	78%	0.78	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-1	173.7	-71.7	166.4	0	0	0	114.3	D1252 T1253 L1254	D1252-L1256 VanDerWaalsContact O-CG 3.31Å; D1252-L1256 WeakPolarHBondContact O-CG 3.27Å; D1252-L1256 PolarHBondContact O-N 3.43Å; D1252-L1256 VanDerWaalsContact O-N 3.11Å; T1253-L1256 PolarHBondContact O-N 3.32Å; L1254-L1256 VanDerWaalsContact C-N 3.32Å; L1254-L1256 PolarHBondContact O-N 2.97Å
1257	S	49.1	Very low	71.1	Confident	77 Å²	77	76.7 Å²	76.7	54%	0.538	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-0	177	73.1	0	0	0	0	114.5	T1253 L1254 Q1255	T1253-S1257 PolarHBondContact O-N 3.01Å; L1254-S1257 PolarHBondContact O-N 3.31Å; L1254-S1257 PolarHBondContact O-OG 3.01Å; Q1255-S1257 PolarHBondContact O-N 3.3Å
1258	K	40.8	Very low	69.6	Low	177 Å²	177	82.9 Å²	82.9	77%	0.77	41%	0.406	S	S	*	.			trans	-96.1	0	173.1	-67.1	-169.4	178	-174	0	111.8	S1229 D1230 Q1255	S1229-K1258 WeakPolarHBondContact O-CE 3.43Å; S1229-K1258 PolarHBondContact O-NZ 2.9Å; S1229-K1258 WeakPolarHBondContact OG-CE 3.42Å; S1229-K1258 PolarHBondContact OG-NZ 2.94Å; D1230-K1258 IonicContact OD1-NZ 3.73Å; D1230-K1258 PolarHBondContact OD1-NZ 3.44Å; Q1255-K1258 PolarHBondContact O-N 2.84Å

Retrieved 1,258 of 1,258 residues in 714.5 ms (Link to these results)

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