A0A087YAX9_POEFO Loading...

U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase

RNA N6-methyltransferase that methylates adenosine residues at the N(6) position of a subset of RNAs and is involved in S-adenosyl-L-methionine homeostasis by regulating expression of MAT2A transcripts. Able to N6-methylate a subset of mRNAs and U6 small nuclear RNAs (U6 snRNAs). In contrast to the METTL3-METTL14 heterodimer, only able to methylate a limited number of RNAs: requires both a 5'UACAGAGAA-3' nonamer sequence and a specific RNA structure.

AlphaFold DB , UniProt , Accession A0A087YAX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 551 aa.

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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	44.1	Very low	74.2	Confident	162 Å²	162	66.1 Å²	66.1	80%	0.798	35%	0.349	S	S	*	.				0	167.5	0	-58.8	-177.9	-173.7	0	0	109.5	L3 N4	M1-L3 PolarHBondContact O-N 3.01Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-N4 WeakPolarHBondContact CB-OD1 3.39Å; M1-N4 VanDerWaalsContact N-CG 3.3Å; M1-N4 PolarHBondContact N-OD1 3.39Å; M1-N4 WeakPolarHBondContact O-CB 3.25Å; M1-N4 PolarHBondContact O-N 3.31Å; M1-N4 PolarHBondContact O-OD1 2.95Å
2	A	45.6	Very low	75.9	Confident	77 Å²	77	69.8 Å²	69.8	64%	0.636	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-54.6	-32.9	-179.1	0	0	0	0	0	114.5	N4	A2-N4 VanDerWaalsContact C-N 3.35Å
3	L	58.7	Low	77.3	Confident	50 Å²	50	64.8 Å²	64.8	26%	0.262	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-76.1	-14.7	177.5	-76.9	158.2	0	0	0	114.2	M1 K5 S6 G274 L301	M1-L3 PolarHBondContact O-N 3.01Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-K5 PolarHBondContact O-N 2.65Å; L3-S6 WeakPolarHBondContact O-CB 3.42Å; L3-S6 PolarHBondContact O-N 3.2Å; L3-S6 VanDerWaalsContact O-N 3.1Å; L3-G274 WeakPolarHBondContact CB-O 2.84Å; L3-G274 WeakPolarHBondContact CD1-O 3.43Å; L3-L301 HydrophobicContact CD2-CD1 3.69Å; L3-L301 HydrophobicContact CD2-CD2 3.88Å; L3-L301 HydrophobicContact CD2-CG 4.45Å; L3-L301 HydrophobicContact CG-CD1 4.45Å; L3-L301 HydrophobicContact CG-CD2 4.45Å
4	N	63.3	Low	78.3	Confident	18 Å²	18	62.8 Å²	62.8	10%	0.096	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-66.6	-25.2	176	-61.6	39.1	0	0	0	112	M1 A2 S6 M7 K14	M1-N4 WeakPolarHBondContact CB-OD1 3.39Å; M1-N4 VanDerWaalsContact N-CG 3.3Å; M1-N4 PolarHBondContact N-OD1 3.39Å; M1-N4 WeakPolarHBondContact O-CB 3.25Å; M1-N4 PolarHBondContact O-N 3.31Å; M1-N4 PolarHBondContact O-OD1 2.95Å; A2-N4 VanDerWaalsContact C-N 3.35Å; N4-S6 PolarHBondContact O-N 2.66Å; N4-M7 HydrophobicContact CB-SD 4.25Å; N4-M7 VanDerWaalsContact O-CB 3.3Å; N4-M7 WeakPolarHBondContact O-CB 3.48Å; N4-M7 WeakPolarHBondContact O-CG 3.19Å; N4-M7 PolarHBondContact O-N 3.2Å; N4-K14 VanDerWaalsContact CB-O 3.25Å; N4-K14 WeakPolarHBondContact CB-O 3.23Å
5	K	63.4	Low	78.8	Confident	144 Å²	144	66.5 Å²	66.5	63%	0.626	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-53.1	-24.9	171	-72.6	-165.7	173.2	-167.8	0	112.6	L3 K14	L3-K5 PolarHBondContact O-N 2.65Å; K5-K14 PolarHBondContact O-NZ 2.64Å
6	S	75.3	Confident	79.5	Confident	22 Å²	22	72.8 Å²	72.8	15%	0.154	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-87.2	-6.5	177.9	-61.7	0	0	0	0	115.2	L3 N4 C272 R299	L3-S6 WeakPolarHBondContact O-CB 3.42Å; L3-S6 PolarHBondContact O-N 3.2Å; L3-S6 VanDerWaalsContact O-N 3.1Å; N4-S6 PolarHBondContact O-N 2.66Å; S6-C272 VanDerWaalsContact CB-CB 3.49Å; S6-R299 PolarHBondContact O-NH2 2.78Å
7	M	89.4	Confident	80.2	Confident	7 Å²	7	73.2 Å²	73.2	3%	0.034	37%	0.371	C	S	.	.	S	Bend	trans	-58.5	156.7	168.7	-71.5	177	170.1	0	0	111	N4 K14 P80 C272 Q273	N4-M7 HydrophobicContact CB-SD 4.25Å; N4-M7 VanDerWaalsContact O-CB 3.3Å; N4-M7 WeakPolarHBondContact O-CB 3.48Å; N4-M7 WeakPolarHBondContact O-CG 3.19Å; N4-M7 PolarHBondContact O-N 3.2Å; M7-K14 HydrophobicContact CB-CB 4.16Å; M7-K14 HydrophobicContact CB-CG 4.19Å; M7-K14 PolarHBondContact O-NZ 3.18Å; M7-K14 VanDerWaalsContact SD-CA 3.59Å; M7-K14 HydrophobicContact SD-CB 4.49Å; M7-P80 HydrophobicContact CE-CB 3.81Å; M7-C272 WeakPolarHBondContact CG-O 3.35Å; M7-Q273 HydrophobicContact CE-CB 3.53Å
8	H	92.9	Very high	80.9	Confident	26 Å²	26	71.3 Å²	71.3	12%	0.12	37%	0.365	C	S	.	.			trans	-53.9	137.6	177.5	-173	-85.5	0	0	0	111.4	R10 N11 N84 H87 D91	H8-R10 VanDerWaalsContact C-N 3.28Å; H8-R10 VanDerWaalsContact CE1-CZ 3.5Å; H8-R10 PolarHBondContact ND1-N 2.67Å; H8-R10 VanDerWaalsContact ND1-N 3.12Å; H8-R10 PolarHBondContact O-N 2.69Å; H8-N11 HydrophobicContact CB-CB 4.22Å; H8-N11 VanDerWaalsContact O-CB 3.28Å; H8-N11 WeakPolarHBondContact O-CB 3.45Å; H8-N11 PolarHBondContact O-N 3.45Å; H8-N84 WeakPolarHBondContact CB-OD1 3.15Å; H8-N84 PolarHBondContact N-OD1 3.26Å; H8-H87 HydrophobicContact CB-CB 4.34Å; H8-H87 WeakPolarHBondContact ND1-CB 3.22Å; H8-H87 AromaticContact ND1-CG 3.76Å; H8-D91 IonicContact CD2-OD2 2.8Å; H8-D91 IonicContact NE2-OD1 2.74Å; H8-D91 IonicContact NE2-OD2 3.56Å; H8-D91 PolarHBondContact NE2-OD2 3.44Å; H8-D91 VanDerWaalsContact NE2-OD2 3.08Å
9	P	92.4	Very high	81.6	Confident	100 Å²	100	72.4 Å²	72.4	65%	0.649	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.9	-177.2	-30.5	36.9	0	0	0	115.7
10	R	94.9	Very high	82.2	Confident	118 Å²	118	70.8 Å²	70.8	45%	0.445	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.3	178.5	-61.4	-169	-64.4	-80.1	-5.4	115	H8 R12 H87 E90 D91	H8-R10 VanDerWaalsContact C-N 3.28Å; H8-R10 VanDerWaalsContact CE1-CZ 3.5Å; H8-R10 PolarHBondContact ND1-N 2.67Å; H8-R10 VanDerWaalsContact ND1-N 3.12Å; H8-R10 PolarHBondContact O-N 2.69Å; R10-R12 PolarHBondContact O-N 2.92Å; R10-H87 PolarHBondContact NH2-O 2.84Å; R10-H87 PolarHBondContact O-NE2 2.78Å; R10-E90 IonicContact CZ-OE2 3.54Å; R10-E90 IonicContact NE-OE2 2.71Å; R10-E90 PolarHBondContact NE-OE2 3.43Å; R10-E90 IonicContact NH2-OE2 3.58Å; R10-E90 PolarHBondContact NH2-OE2 2.92Å; R10-D91 IonicContact CZ-OD1 2.67Å; R10-D91 IonicContact NH1-OD1 3.89Å; R10-D91 PolarHBondContact NH1-OD1 3.05Å; R10-D91 IonicContact NH2-OD1 3.38Å; R10-D91 PolarHBondContact NH2-OD1 2.87Å
11	N	95.9	Very high	82.8	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.016	36%	0.364	C	S	.	.			trans	-71.3	114.7	-177.6	-174.2	-25.4	0	0	0	110.9	H8 Y13 K14 P80 N84	H8-N11 HydrophobicContact CB-CB 4.22Å; H8-N11 VanDerWaalsContact O-CB 3.28Å; H8-N11 WeakPolarHBondContact O-CB 3.45Å; H8-N11 PolarHBondContact O-N 3.45Å; N11-Y13 PolarHBondContact O-N 3.2Å; N11-Y13 PolarHBondContact OD1-N 2.74Å; N11-Y13 VanDerWaalsContact OD1-N 3.15Å; N11-K14 WeakPolarHBondContact O-CB 3.5Å; N11-K14 PolarHBondContact O-N 3.41Å; N11-P80 PolarHBondContact ND2-O 3.39Å; N11-N84 PolarHBondContact ND2-OD1 2.85Å
12	R	94.8	Very high	85.2	Confident	110 Å²	110	67.1 Å²	67.1	42%	0.415	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.4	-176.5	64	170.9	72	-166.4	13.8	114.5	R10 K14 D63 L83	R10-R12 PolarHBondContact O-N 2.92Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.07Å; R12-D63 WeakPolarHBondContact CD-OD1 3.17Å; R12-D63 IonicContact CZ-OD1 3.95Å; R12-D63 IonicContact NE-OD1 2.78Å; R12-D63 VanDerWaalsContact NH1-CB 3.27Å; R12-D63 PolarHBondContact NH1-O 3.02Å; R12-D63 IonicContact NH1-OD1 3.81Å; R12-D63 PolarHBondContact NH1-OD1 2.92Å; R12-D63 PolarHBondContact NH2-O 3.39Å; R12-L83 HydrophobicContact CG-CD1 4.5Å
13	Y	94	Very high	87.7	Confident	6 Å²	6	63.7 Å²	63.7	2%	0.024	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	0.4	-178.3	-54.2	-62.8	0	0	0	115.2	N11 K16 P18 L59 D63 V79 P80 L83	N11-Y13 PolarHBondContact O-N 3.2Å; N11-Y13 PolarHBondContact OD1-N 2.74Å; N11-Y13 VanDerWaalsContact OD1-N 3.15Å; Y13-K16 WeakPolarHBondContact CA-O 3.4Å; Y13-P18 HydrophobicContact CD1-CG 3.91Å; Y13-P18 HydrophobicContact CE1-CG 3.99Å; Y13-L59 HydrophobicContact CE1-CD2 4.07Å; Y13-D63 WeakPolarHBondContact CE1-OD2 3.38Å; Y13-D63 PolarHBondContact OH-OD2 3.07Å; Y13-V79 HydrophobicContact CE2-CB 4.3Å; Y13-V79 HydrophobicContact CE2-CG1 4.06Å; Y13-P80 HydrophobicContact CD2-CB 3.86Å; Y13-P80 HydrophobicContact CD2-CG 3.63Å; Y13-P80 HydrophobicContact CE2-CG 4.11Å; Y13-P80 HydrophobicContact CG-CB 4.39Å; Y13-P80 HydrophobicContact CG-CG 4.07Å; Y13-L83 HydrophobicContact CD2-CD1 3.7Å; Y13-L83 HydrophobicContact CE2-CD1 3.44Å; Y13-L83 VanDerWaalsContact CE2-CD1 3.44Å
14	K	90.9	Very high	89.5	Confident	36 Å²	36	61.8 Å²	61.8	16%	0.157	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-61.1	-178.7	-179.7	-174.1	-177.9	61.8	0	112.1	N4 K5 M7 N11 R12	N4-K14 VanDerWaalsContact CB-O 3.25Å; N4-K14 WeakPolarHBondContact CB-O 3.23Å; K5-K14 PolarHBondContact O-NZ 2.64Å; M7-K14 HydrophobicContact CB-CB 4.16Å; M7-K14 HydrophobicContact CB-CG 4.19Å; M7-K14 PolarHBondContact O-NZ 3.18Å; M7-K14 VanDerWaalsContact SD-CA 3.59Å; M7-K14 HydrophobicContact SD-CB 4.49Å; N11-K14 WeakPolarHBondContact O-CB 3.5Å; N11-K14 PolarHBondContact O-N 3.41Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.07Å
15	D	87	Confident	91.1	Very high	118 Å²	118	65.6 Å²	65.6	63%	0.631	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-15.2	-176.9	-57.4	-63.1	0	0	0	112.1	P17	D15-P17 VanDerWaalsContact O-CD 3.32Å; D15-P17 WeakPolarHBondContact O-CD 3.47Å
16	K	89.4	Confident	92.7	Very high	167 Å²	167	63.2 Å²	63.2	73%	0.726	33%	0.326	S	S	*	.	S	Bend	trans	-112.3	81.7	174.3	-61.3	-179.8	-178.2	-179.4	0	110.6	Y13	Y13-K16 WeakPolarHBondContact CA-O 3.4Å
17	P	90.7	Very high	93.8	Very high	80 Å²	80	63.8 Å²	63.8	52%	0.519	33%	0.325	S	S	.	.			trans	-63.6	152.1	172.7	30.1	-35.4	0	0	0	110.4	D15 D19	D15-P17 VanDerWaalsContact O-CD 3.32Å; D15-P17 WeakPolarHBondContact O-CD 3.47Å; P17-D19 PolarHBondContact O-N 2.75Å
18	P	92.8	Very high	94.1	Very high	39 Å²	39	67.5 Å²	67.5	25%	0.253	35%	0.35	S	S	.	.			trans	-55	134.7	176.4	-28.6	36.5	0	0	0	113.4	Y13 F20 L23 L59	Y13-P18 HydrophobicContact CD1-CG 3.91Å; Y13-P18 HydrophobicContact CE1-CG 3.99Å; P18-F20 HydrophobicContact CB-CD1 4.29Å; P18-F20 HydrophobicContact CB-CE1 3.91Å; P18-L23 HydrophobicContact CB-CD1 4.16Å; P18-L59 HydrophobicContact CB-CD2 3.89Å; P18-L59 HydrophobicContact CG-CD1 4.18Å; P18-L59 HydrophobicContact CG-CD2 3.7Å
19	D	94.2	Very high	94.1	Very high	93 Å²	93	71.8 Å²	71.8	50%	0.497	37%	0.374	S	S	.	.			trans	-87.7	105.4	171.7	-173.3	-33.1	0	0	0	109.5	P17 A21 Y22 L23	P17-D19 PolarHBondContact O-N 2.75Å; D19-A21 VanDerWaalsContact C-N 3.31Å; D19-A21 PolarHBondContact O-N 3.26Å; D19-A21 WeakPolarHBondContact OD1-CA 3.38Å; D19-A21 WeakPolarHBondContact OD1-CB 3.37Å; D19-A21 PolarHBondContact OD1-N 3.49Å; D19-Y22 PolarHBondContact OD1-N 2.77Å; D19-L23 WeakPolarHBondContact O-CB 3.39Å; D19-L23 VanDerWaalsContact O-CG 3.31Å; D19-L23 WeakPolarHBondContact O-CG 3.33Å; D19-L23 PolarHBondContact O-N 3.13Å
20	F	95	Very high	94.3	Very high	39 Å²	39	67 Å²	67	17%	0.171	34%	0.343	C	S	.	.	H	α-helix	trans	-71.3	-20.3	-179.4	-58.2	-34	0	0	0	113.8	P18 A24 F30 P42 V44 F46 L55	P18-F20 HydrophobicContact CB-CD1 4.29Å; P18-F20 HydrophobicContact CB-CE1 3.91Å; F20-A24 WeakPolarHBondContact O-CB 3.5Å; F20-A24 PolarHBondContact O-N 3.03Å; F20-F30 HydrophobicContact CB-CZ 4.48Å; F20-F30 HydrophobicContact CD1-CE1 4.4Å; F20-F30 AromaticContact CD1-CZ 3.91Å; F20-F30 HydrophobicContact CD1-CZ 3.91Å; F20-F30 HydrophobicContact CG-CZ 4.4Å; F20-P42 HydrophobicContact CB-CB 3.87Å; F20-P42 HydrophobicContact CB-CG 4.02Å; F20-V44 HydrophobicContact CD1-CG2 4.06Å; F20-V44 HydrophobicContact CD2-CG2 3.88Å; F20-V44 HydrophobicContact CE1-CG2 4.14Å; F20-V44 HydrophobicContact CE2-CB 4.47Å; F20-V44 HydrophobicContact CE2-CG2 3.95Å; F20-V44 HydrophobicContact CG-CG2 3.95Å; F20-V44 HydrophobicContact CZ-CG2 4.1Å; F20-F46 HydrophobicContact CE2-CZ 4.21Å; F20-F46 AromaticContact CZ-CZ 3.92Å; F20-F46 HydrophobicContact CZ-CZ 3.92Å; F20-L55 HydrophobicContact CD1-CD1 4.15Å; F20-L55 HydrophobicContact CE1-CD1 3.67Å; F20-L55 HydrophobicContact CE1-CD2 4.03Å; F20-L55 HydrophobicContact CZ-CD2 4.29Å
21	A	93.4	Very high	94.4	Very high	50 Å²	50	66.7 Å²	66.7	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-75.1	-47.3	173.7	0	0	0	0	0	110.2	D19 A24 S25 P42	D19-A21 VanDerWaalsContact C-N 3.31Å; D19-A21 PolarHBondContact O-N 3.26Å; D19-A21 WeakPolarHBondContact OD1-CA 3.38Å; D19-A21 WeakPolarHBondContact OD1-CB 3.37Å; D19-A21 PolarHBondContact OD1-N 3.49Å; A21-A24 PolarHBondContact O-N 3.43Å; A21-S25 WeakPolarHBondContact O-CB 3.39Å; A21-S25 PolarHBondContact O-N 2.91Å; A21-S25 PolarHBondContact O-OG 2.87Å; A21-P42 HydrophobicContact CB-CG 3.97Å
22	Y	95.9	Very high	94.4	Very high	106 Å²	106	72.8 Å²	72.8	42%	0.416	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-50.8	175	168.1	-105	0	0	0	111.4	D19 A24 S25 K26 E62	D19-Y22 PolarHBondContact OD1-N 2.77Å; Y22-A24 PolarHBondContact O-N 2.79Å; Y22-S25 PolarHBondContact O-N 3.41Å; Y22-S25 PolarHBondContact O-OG 2.91Å; Y22-K26 HydrophobicContact CE1-CD 4.4Å; Y22-K26 HydrophobicContact CE2-CD 4.31Å; Y22-K26 PolarHBondContact O-N 2.9Å; Y22-K26 WeakPolarHBondContact OH-CD 3.5Å; Y22-K26 PolarHBondContact OH-NZ 2.87Å; Y22-E62 HydrophobicContact CE1-CG 4.46Å; Y22-E62 VanDerWaalsContact CE1-OE1 3.23Å; Y22-E62 WeakPolarHBondContact CE1-OE1 3.35Å; Y22-E62 VanDerWaalsContact CZ-OE1 3.31Å; Y22-E62 PolarHBondContact OH-OE1 2.98Å
23	L	97.3	Very high	94.4	Very high	5 Å²	5	68.4 Å²	68.4	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-62.4	-40.9	178.9	-67.5	177.9	0	0	0	112.3	P18 D19 S25 K26 Y27 F30 L55 T58 L59 E62	P18-L23 HydrophobicContact CB-CD1 4.16Å; D19-L23 WeakPolarHBondContact O-CB 3.39Å; D19-L23 VanDerWaalsContact O-CG 3.31Å; D19-L23 WeakPolarHBondContact O-CG 3.33Å; D19-L23 PolarHBondContact O-N 3.13Å; L23-S25 VanDerWaalsContact C-N 3.34Å; L23-S25 PolarHBondContact O-N 3.28Å; L23-K26 PolarHBondContact O-N 2.93Å; L23-Y27 HydrophobicContact CD2-CD2 4.36Å; L23-Y27 HydrophobicContact CD2-CE2 4.32Å; L23-Y27 WeakPolarHBondContact O-CB 3.34Å; L23-Y27 PolarHBondContact O-N 3.42Å; L23-F30 HydrophobicContact CB-CD1 3.77Å; L23-F30 HydrophobicContact CB-CE1 3.61Å; L23-L55 HydrophobicContact CD1-CD1 4.49Å; L23-T58 HydrophobicContact CB-CG2 4.26Å; L23-T58 HydrophobicContact CD1-CG2 4.36Å; L23-T58 HydrophobicContact CD2-CG2 4.01Å; L23-T58 HydrophobicContact CG-CG2 4.43Å; L23-L59 HydrophobicContact CD1-CD2 3.87Å; L23-E62 HydrophobicContact CD2-CB 4.17Å; L23-E62 HydrophobicContact CD2-CG 3.93Å
24	A	95.8	Very high	94.3	Very high	11 Å²	11	69.3 Å²	69.3	9%	0.091	37%	0.365	C	S	.	.	H	α-helix	trans	-66.2	-33.6	176.7	0	0	0	0	0	112.9	F20 A21 Y22 K26 F30 Q31 V34	F20-A24 WeakPolarHBondContact O-CB 3.5Å; F20-A24 PolarHBondContact O-N 3.03Å; A21-A24 PolarHBondContact O-N 3.43Å; Y22-A24 PolarHBondContact O-N 2.79Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 2.91Å; A24-F30 HydrophobicContact CB-CD1 4.47Å; A24-Q31 HydrophobicContact CB-CB 4.35Å; A24-Q31 HydrophobicContact CB-CG 4.25Å; A24-Q31 WeakPolarHBondContact O-CB 3.24Å; A24-V34 HydrophobicContact CB-CB 4.22Å; A24-V34 HydrophobicContact CB-CG1 4.28Å; A24-V34 HydrophobicContact CB-CG2 4.08Å
25	S	96.6	Very high	94.2	Very high	97 Å²	97	72.3 Å²	72.3	68%	0.678	38%	0.379	S	S	*	.	H	α-helix	trans	-72.2	-20.4	176.1	70.3	0	0	0	0	113.9	A21 Y22 L23	A21-S25 WeakPolarHBondContact O-CB 3.39Å; A21-S25 PolarHBondContact O-N 2.91Å; A21-S25 PolarHBondContact O-OG 2.87Å; Y22-S25 PolarHBondContact O-N 3.41Å; Y22-S25 PolarHBondContact O-OG 2.91Å; L23-S25 VanDerWaalsContact C-N 3.34Å; L23-S25 PolarHBondContact O-N 3.28Å
26	K	97.8	Very high	94.2	Very high	94 Å²	94	72 Å²	72	41%	0.409	38%	0.382	S	S	.	.	H	α-helix	trans	-102.2	-26.4	-176.4	-171.1	173.4	-179.2	-179	0	113.9	Y22 L23 A24 E62	Y22-K26 HydrophobicContact CE1-CD 4.4Å; Y22-K26 HydrophobicContact CE2-CD 4.31Å; Y22-K26 PolarHBondContact O-N 2.9Å; Y22-K26 WeakPolarHBondContact OH-CD 3.5Å; Y22-K26 PolarHBondContact OH-NZ 2.87Å; L23-K26 PolarHBondContact O-N 2.93Å; A24-K26 VanDerWaalsContact C-N 3.28Å; A24-K26 PolarHBondContact O-N 2.91Å; K26-E62 VanDerWaalsContact CE-OE2 3.3Å; K26-E62 WeakPolarHBondContact CE-OE2 3.13Å; K26-E62 IonicContact NZ-OE1 2.75Å; K26-E62 PolarHBondContact NZ-OE1 3.3Å; K26-E62 IonicContact NZ-OE2 3.6Å; K26-E62 PolarHBondContact NZ-OE2 3.08Å
27	Y	97.6	Very high	93.8	Very high	34 Å²	34	65.6 Å²	65.6	13%	0.133	36%	0.358	C	S	.	.			trans	-128.5	96.5	-173.3	-66.7	-78.1	0	0	0	111.5	L23 D29 F30 Q31 T58 K61 E62	L23-Y27 HydrophobicContact CD2-CD2 4.36Å; L23-Y27 HydrophobicContact CD2-CE2 4.32Å; L23-Y27 WeakPolarHBondContact O-CB 3.34Å; L23-Y27 PolarHBondContact O-N 3.42Å; Y27-D29 VanDerWaalsContact C-N 3.29Å; Y27-D29 PolarHBondContact O-N 3.49Å; Y27-F30 PolarHBondContact O-N 2.98Å; Y27-Q31 PolarHBondContact O-N 2.93Å; Y27-T58 HydrophobicContact CD2-CG2 3.49Å; Y27-T58 VanDerWaalsContact CD2-CG2 3.49Å; Y27-T58 HydrophobicContact CE2-CG2 4Å; Y27-T58 HydrophobicContact CG-CG2 3.8Å; Y27-K61 HydrophobicContact CE1-CD 3.99Å; Y27-K61 HydrophobicContact CE1-CG 4.35Å; Y27-E62 HydrophobicContact CE2-CB 4.14Å; Y27-E62 PolarHBondContact OH-OE2 3.14Å
28	P	95.8	Very high	93.1	Very high	86 Å²	86	70.9 Å²	70.9	56%	0.558	38%	0.381	S	S	*	.	H	α-helix	trans	-55.1	-40.6	-180	-28.3	36.4	0	0	0	113.8	F30 Q31 Q32	P28-F30 PolarHBondContact O-N 3.31Å; P28-F30 VanDerWaalsContact O-N 3.09Å; P28-Q31 WeakPolarHBondContact O-CB 3.48Å; P28-Q31 PolarHBondContact O-N 2.89Å; P28-Q32 PolarHBondContact O-N 3.17Å
29	D	93.7	Very high	92.5	Very high	115 Å²	115	74.2 Å²	74.2	62%	0.615	40%	0.401	S	S	*	.	H	α-helix	trans	-60.3	-21.5	177.8	-48.5	-27.3	0	0	0	113.2	Y27 Q32 H33	Y27-D29 VanDerWaalsContact C-N 3.29Å; Y27-D29 PolarHBondContact O-N 3.49Å; D29-Q32 WeakPolarHBondContact O-CG 3.21Å; D29-Q32 PolarHBondContact O-NE2 3.29Å; D29-H33 PolarHBondContact O-CD2 2.86Å
30	F	97.1	Very high	91.7	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-98.2	-33	173	174.9	-115.2	0	0	0	112.4	F20 L23 A24 Y27 P28 Q32 H33 V34 V44 A54 L55 T58	F20-F30 HydrophobicContact CB-CZ 4.48Å; F20-F30 HydrophobicContact CD1-CE1 4.4Å; F20-F30 AromaticContact CD1-CZ 3.91Å; F20-F30 HydrophobicContact CD1-CZ 3.91Å; F20-F30 HydrophobicContact CG-CZ 4.4Å; L23-F30 HydrophobicContact CB-CD1 3.77Å; L23-F30 HydrophobicContact CB-CE1 3.61Å; A24-F30 HydrophobicContact CB-CD1 4.47Å; Y27-F30 PolarHBondContact O-N 2.98Å; P28-F30 PolarHBondContact O-N 3.31Å; P28-F30 VanDerWaalsContact O-N 3.09Å; F30-Q32 PolarHBondContact O-N 3.19Å; F30-H33 PolarHBondContact O-N 3.04Å; F30-V34 HydrophobicContact CD1-CG2 3.96Å; F30-V34 HydrophobicContact CD2-CG2 4.29Å; F30-V34 HydrophobicContact CE1-CG2 3.45Å; F30-V34 VanDerWaalsContact CE1-CG2 3.45Å; F30-V34 HydrophobicContact CE2-CG2 3.82Å; F30-V34 HydrophobicContact CG-CG2 4.35Å; F30-V34 HydrophobicContact CZ-CG2 3.38Å; F30-V34 WeakPolarHBondContact O-CG2 3.42Å; F30-V44 HydrophobicContact CE2-CG2 3.78Å; F30-V44 HydrophobicContact CZ-CG2 3.61Å; F30-A54 HydrophobicContact CD2-CB 4.18Å; F30-L55 HydrophobicContact CD2-CB 4.29Å; F30-L55 HydrophobicContact CE2-CB 3.76Å; F30-L55 HydrophobicContact CE2-CD1 3.86Å; F30-L55 HydrophobicContact CE2-CG 4.36Å; F30-L55 HydrophobicContact CZ-CD1 3.83Å; F30-T58 HydrophobicContact CB-CG2 4.39Å; F30-T58 WeakPolarHBondContact CB-OG1 3.34Å; F30-T58 HydrophobicContact CD1-CG2 4.39Å; F30-T58 HydrophobicContact CG-CG2 4.4Å
31	Q	96.1	Very high	90.9	Very high	111 Å²	111	79.1 Å²	79.1	52%	0.519	43%	0.43	S	S	.	.	H	α-helix	trans	-52.1	-42.3	176.9	-167.5	-177.4	1.9	0	0	112.4	A24 Y27 P28 H33 V34	A24-Q31 HydrophobicContact CB-CB 4.35Å; A24-Q31 HydrophobicContact CB-CG 4.25Å; A24-Q31 WeakPolarHBondContact O-CB 3.24Å; Y27-Q31 PolarHBondContact O-N 2.93Å; P28-Q31 WeakPolarHBondContact O-CB 3.48Å; P28-Q31 PolarHBondContact O-N 2.89Å; Q31-H33 PolarHBondContact O-N 3.45Å; Q31-H33 VanDerWaalsContact O-N 3.16Å; Q31-V34 PolarHBondContact O-N 3.34Å; Q31-V34 VanDerWaalsContact O-N 3.1Å
32	Q	95.8	Very high	90.6	Very high	131 Å²	131	79 Å²	79	61%	0.612	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.1	178.2	66.9	-171	-16.9	0	0	114.3	P28 D29 F30	P28-Q32 PolarHBondContact O-N 3.17Å; D29-Q32 WeakPolarHBondContact O-CG 3.21Å; D29-Q32 PolarHBondContact O-NE2 3.29Å; F30-Q32 PolarHBondContact O-N 3.19Å
33	H	94.7	Very high	90.3	Very high	18 Å²	18	77.2 Å²	77.2	8%	0.083	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	10	179.3	-60.5	-69.1	0	0	0	113.8	D29 F30 Q31 E48 E50 A51 A54	D29-H33 PolarHBondContact O-CD2 2.86Å; F30-H33 PolarHBondContact O-N 3.04Å; Q31-H33 PolarHBondContact O-N 3.45Å; Q31-H33 VanDerWaalsContact O-N 3.16Å; H33-E48 IonicContact ND1-OE2 3.13Å; H33-E48 PolarHBondContact ND1-OE2 3.33Å; H33-E50 WeakPolarHBondContact CE1-CB 3.35Å; H33-E50 IonicContact CE1-OE2 3.3Å; H33-A51 HydrophobicContact CB-CB 3.73Å; H33-A54 VanDerWaalsContact CD2-CB 3.48Å; H33-A54 WeakPolarHBondContact CD2-CB 3.28Å
34	V	92.6	Very high	90	Very high	25 Å²	25	77.1 Å²	77.1	15%	0.152	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.5	179.2	176.3	0	0	0	0	109.3	A24 F30 Q31 P42 V44	A24-V34 HydrophobicContact CB-CB 4.22Å; A24-V34 HydrophobicContact CB-CG1 4.28Å; A24-V34 HydrophobicContact CB-CG2 4.08Å; F30-V34 HydrophobicContact CD1-CG2 3.96Å; F30-V34 HydrophobicContact CD2-CG2 4.29Å; F30-V34 HydrophobicContact CE1-CG2 3.45Å; F30-V34 VanDerWaalsContact CE1-CG2 3.45Å; F30-V34 HydrophobicContact CE2-CG2 3.82Å; F30-V34 HydrophobicContact CG-CG2 4.35Å; F30-V34 HydrophobicContact CZ-CG2 3.38Å; F30-V34 WeakPolarHBondContact O-CG2 3.42Å; Q31-V34 PolarHBondContact O-N 3.34Å; Q31-V34 VanDerWaalsContact O-N 3.1Å; V34-P42 HydrophobicContact CG1-CB 3.65Å; V34-V44 HydrophobicContact CG2-CG2 4.17Å
35	H	89.2	Confident	89.6	Confident	99 Å²	99	79.7 Å²	79.7	46%	0.458	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	151.2	179.2	-49.7	-44.9	0	0	0	111.1	P42 V43	H35-P42 CarbonylContact O-C 3.4Å; H35-V43 PolarHBondContact N-O 3.08Å; H35-V43 PolarHBondContact O-N 3.23Å
36	T	86.3	Confident	89.4	Confident	113 Å²	113	79.2 Å²	79.2	69%	0.693	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.7	174.5	-56.1	0	0	0	0	110.4
37	S	81.8	Confident	89	Confident	32 Å²	32	80.2 Å²	80.2	22%	0.224	43%	0.427	C	S	.	.			trans	-69.8	164.4	174.4	70.7	0	0	0	0	112.3	T39 G40 R41	S37-T39 PolarHBondContact O-N 3.15Å; S37-T39 PolarHBondContact OG-N 3.27Å; S37-T39 VanDerWaalsContact OG-N 3.11Å; S37-T39 PolarHBondContact OG-OG1 2.85Å; S37-G40 PolarHBondContact O-N 2.99Å; S37-G40 PolarHBondContact OG-N 3.16Å; S37-R41 PolarHBondContact N-O 2.67Å; S37-R41 PolarHBondContact OG-N 3.33Å; S37-R41 PolarHBondContact OG-O 3.09Å
38	L	76.5	Confident	88.8	Confident	191 Å²	191	81.4 Å²	81.4	100%	1	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-8.3	165.9	-59.2	177.4	0	0	0	114
39	T	78.6	Confident	88.7	Confident	109 Å²	109	79.2 Å²	79.2	67%	0.669	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	17.2	176.8	51.9	0	0	0	0	112.9	S37 R41	S37-T39 PolarHBondContact O-N 3.15Å; S37-T39 PolarHBondContact OG-N 3.27Å; S37-T39 VanDerWaalsContact OG-N 3.11Å; S37-T39 PolarHBondContact OG-OG1 2.85Å; T39-R41 VanDerWaalsContact C-N 3.32Å; T39-R41 PolarHBondContact O-N 2.84Å
40	G	77.6	Confident	88.8	Confident	61 Å²	61	78 Å²	78	63%	0.629	41%	0.41	S	S	*	.	S	Bend	trans	71.3	18.5	174.8	0	0	0	0	0	115.2	S37	S37-G40 PolarHBondContact O-N 2.99Å; S37-G40 PolarHBondContact OG-N 3.16Å
41	R	79.8	Confident	88.7	Confident	174 Å²	174	78 Å²	78	66%	0.657	41%	0.41	S	S	*	.			trans	-108.7	144	-176.1	-63.1	-176	-178.3	-172	-1.4	111.7	S37 T39	S37-R41 PolarHBondContact N-O 2.67Å; S37-R41 PolarHBondContact OG-N 3.33Å; S37-R41 PolarHBondContact OG-O 3.09Å; T39-R41 VanDerWaalsContact C-N 3.32Å; T39-R41 PolarHBondContact O-N 2.84Å
42	P	86	Confident	88.7	Confident	46 Å²	46	73.4 Å²	73.4	30%	0.299	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.1	172.5	32.1	-38.7	0	0	0	110.7	F20 A21 V34 H35	F20-P42 HydrophobicContact CB-CB 3.87Å; F20-P42 HydrophobicContact CB-CG 4.02Å; A21-P42 HydrophobicContact CB-CG 3.97Å; V34-P42 HydrophobicContact CG1-CB 3.65Å; H35-P42 CarbonylContact O-C 3.4Å
43	V	89.2	Confident	88.8	Confident	70 Å²	70	71 Å²	71	42%	0.424	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	134.8	-179.3	179.3	0	0	0	0	109.7	H35	H35-V43 PolarHBondContact N-O 3.08Å; H35-V43 PolarHBondContact O-N 3.23Å
44	V	90.9	Very high	88.9	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.018	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.1	173.8	-178.5	0	0	0	0	109.5	F20 F30 V34 F46 A51	F20-V44 HydrophobicContact CD1-CG2 4.06Å; F20-V44 HydrophobicContact CD2-CG2 3.88Å; F20-V44 HydrophobicContact CE1-CG2 4.14Å; F20-V44 HydrophobicContact CE2-CB 4.47Å; F20-V44 HydrophobicContact CE2-CG2 3.95Å; F20-V44 HydrophobicContact CG-CG2 3.95Å; F20-V44 HydrophobicContact CZ-CG2 4.1Å; F30-V44 HydrophobicContact CE2-CG2 3.78Å; F30-V44 HydrophobicContact CZ-CG2 3.61Å; V34-V44 HydrophobicContact CG2-CG2 4.17Å; V44-F46 HydrophobicContact CB-CE1 4.46Å; V44-F46 HydrophobicContact CB-CE2 4.32Å; V44-F46 HydrophobicContact CB-CZ 4.15Å; V44-F46 HydrophobicContact CG1-CE1 4.48Å; V44-F46 VanDerWaalsContact O-CD2 3.26Å; V44-F46 WeakPolarHBondContact O-CD2 3.18Å; V44-F46 WeakPolarHBondContact O-CE2 3.43Å; V44-F46 PolarHBondContact O-N 3.11Å; V44-F46 VanDerWaalsContact O-N 3.14Å; V44-A51 HydrophobicContact CG1-CB 3.86Å
45	N	89.1	Confident	89.2	Confident	64 Å²	64	70.3 Å²	70.3	34%	0.342	37%	0.373	S	S	.	.			trans	-80	88.7	174.6	-178.2	13.7	0	0	0	111.4	K47 E48	N45-K47 PolarHBondContact O-N 3.22Å; N45-K47 PolarHBondContact OD1-N 2.9Å; N45-E48 HydrophobicContact CB-CB 4.25Å; N45-E48 WeakPolarHBondContact O-CB 3.35Å; N45-E48 PolarHBondContact O-N 3.35Å
46	F	90.8	Very high	89.6	Confident	87 Å²	87	65.8 Å²	65.8	38%	0.382	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-3.8	-179.1	-61.7	-79.6	0	0	0	115.9	F20 V44 V52 L55 S204 S205 V206	F20-F46 HydrophobicContact CE2-CZ 4.21Å; F20-F46 AromaticContact CZ-CZ 3.92Å; F20-F46 HydrophobicContact CZ-CZ 3.92Å; V44-F46 HydrophobicContact CB-CE1 4.46Å; V44-F46 HydrophobicContact CB-CE2 4.32Å; V44-F46 HydrophobicContact CB-CZ 4.15Å; V44-F46 HydrophobicContact CG1-CE1 4.48Å; V44-F46 VanDerWaalsContact O-CD2 3.26Å; V44-F46 WeakPolarHBondContact O-CD2 3.18Å; V44-F46 WeakPolarHBondContact O-CE2 3.43Å; V44-F46 PolarHBondContact O-N 3.11Å; V44-F46 VanDerWaalsContact O-N 3.14Å; F46-V52 HydrophobicContact CB-CG2 4.45Å; F46-V52 HydrophobicContact CD1-CG2 4.45Å; F46-V52 WeakPolarHBondContact O-CG2 3.3Å; F46-L55 HydrophobicContact CE1-CD2 3.73Å; F46-L55 HydrophobicContact CZ-CD2 4.4Å; F46-S204 VanDerWaalsContact CB-O 3.27Å; F46-S204 WeakPolarHBondContact CB-O 3.45Å; F46-S205 VanDerWaalsContact O-CA 3.31Å; F46-S205 WeakPolarHBondContact O-CA 3.34Å; F46-V206 PolarHBondContact O-N 3.06Å
47	K	90.4	Very high	90.1	Very high	115 Å²	115	61.8 Å²	61.8	50%	0.5	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-10.4	170.5	-67.3	-174.6	175.7	-175.8	0	113.7	N45 P203 V206	N45-K47 PolarHBondContact O-N 3.22Å; N45-K47 PolarHBondContact OD1-N 2.9Å; K47-P203 WeakPolarHBondContact CE-O 3.27Å; K47-V206 WeakPolarHBondContact O-CB 3.43Å
48	E	92.8	Very high	90.9	Very high	59 Å²	59	60.7 Å²	60.7	28%	0.276	32%	0.32	S	S	.	.	S	Bend	trans	-93.2	119	179	-177.8	170	-78.4	0	0	109.6	H33 N45 E50 A51 V52	H33-E48 IonicContact ND1-OE2 3.13Å; H33-E48 PolarHBondContact ND1-OE2 3.33Å; N45-E48 HydrophobicContact CB-CB 4.25Å; N45-E48 WeakPolarHBondContact O-CB 3.35Å; N45-E48 PolarHBondContact O-N 3.35Å; E48-E50 VanDerWaalsContact C-N 3.26Å; E48-E50 HydrophobicContact CG-CB 4.35Å; E48-E50 PolarHBondContact O-N 2.79Å; E48-A51 HydrophobicContact CB-CB 3.93Å; E48-A51 HydrophobicContact CG-CB 4.13Å; E48-A51 PolarHBondContact O-N 2.97Å; E48-A51 WeakPolarHBondContact OE2-CB 3.4Å; E48-V52 WeakPolarHBondContact O-CG2 3.34Å; E48-V52 PolarHBondContact O-N 3.41Å; E48-V52 VanDerWaalsContact O-N 3.14Å
49	P	94.2	Very high	92	Very high	41 Å²	41	51.9 Å²	51.9	27%	0.266	28%	0.275	S	S	.	.	H	α-helix	trans	-52.7	-43.6	178.8	-30.9	38.1	0	0	0	113	V52 R53 L72 I76 V206 T208	P49-V52 PolarHBondContact O-N 2.66Å; P49-R53 WeakPolarHBondContact O-CB 3.32Å; P49-R53 PolarHBondContact O-N 3.05Å; P49-L72 HydrophobicContact CB-CD2 3.97Å; P49-I76 HydrophobicContact CB-CD1 4.25Å; P49-I76 WeakPolarHBondContact O-CD1 3.22Å; P49-V206 HydrophobicContact CG-CG1 4.24Å; P49-V206 HydrophobicContact CG-CG2 4.26Å; P49-T208 HydrophobicContact CB-CG2 3.87Å; P49-T208 HydrophobicContact CG-CG2 3.91Å
50	E	95.9	Very high	92.9	Very high	88 Å²	88	46.9 Å²	46.9	41%	0.411	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-46.8	-176.8	-60.6	-179.9	174.4	0	0	111.9	H33 E48 V52 R53 A54 L72	H33-E50 WeakPolarHBondContact CE1-CB 3.35Å; H33-E50 IonicContact CE1-OE2 3.3Å; E48-E50 VanDerWaalsContact C-N 3.26Å; E48-E50 HydrophobicContact CG-CB 4.35Å; E48-E50 PolarHBondContact O-N 2.79Å; E50-V52 VanDerWaalsContact C-N 3.32Å; E50-V52 PolarHBondContact O-N 2.91Å; E50-R53 PolarHBondContact O-N 3.13Å; E50-A54 VanDerWaalsContact O-CB 3.32Å; E50-A54 WeakPolarHBondContact O-CB 3.37Å; E50-A54 PolarHBondContact O-N 3.4Å; E50-L72 HydrophobicContact CG-CD1 3.75Å; E50-L72 HydrophobicContact CG-CD2 4.1Å
51	A	95.4	Very high	93.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-39.9	174.6	0	0	0	0	0	113.2	H33 V44 E48 L55	H33-A51 HydrophobicContact CB-CB 3.73Å; V44-A51 HydrophobicContact CG1-CB 3.86Å; E48-A51 HydrophobicContact CB-CB 3.93Å; E48-A51 HydrophobicContact CG-CB 4.13Å; E48-A51 PolarHBondContact O-N 2.97Å; E48-A51 WeakPolarHBondContact OE2-CB 3.4Å; A51-L55 VanDerWaalsContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.38Å; A51-L55 PolarHBondContact O-N 2.96Å
52	V	95.2	Very high	94.8	Very high	16 Å²	16	43 Å²	43	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-71.7	-36.8	177.5	-179.6	0	0	0	0	111.3	F46 E48 P49 E50 T56 I76	F46-V52 HydrophobicContact CB-CG2 4.45Å; F46-V52 HydrophobicContact CD1-CG2 4.45Å; F46-V52 WeakPolarHBondContact O-CG2 3.3Å; E48-V52 WeakPolarHBondContact O-CG2 3.34Å; E48-V52 PolarHBondContact O-N 3.41Å; E48-V52 VanDerWaalsContact O-N 3.14Å; P49-V52 PolarHBondContact O-N 2.66Å; E50-V52 VanDerWaalsContact C-N 3.32Å; E50-V52 PolarHBondContact O-N 2.91Å; V52-T56 VanDerWaalsContact O-CB 3.32Å; V52-T56 WeakPolarHBondContact O-CB 3.31Å; V52-T56 PolarHBondContact O-N 2.97Å; V52-T56 PolarHBondContact O-OG1 3.44Å; V52-I76 HydrophobicContact CG1-CB 4.38Å; V52-I76 HydrophobicContact CG1-CG2 3.88Å
53	R	97.6	Very high	95.4	Very high	81 Å²	81	43 Å²	43	31%	0.306	21%	0.213	S	C	.	.	H	α-helix	trans	-64.8	-52.5	172.7	179.6	176.8	64.4	177.5	-2.7	111	P49 E50 L55 T56 C57 I70 L72 I76	P49-R53 WeakPolarHBondContact O-CB 3.32Å; P49-R53 PolarHBondContact O-N 3.05Å; E50-R53 PolarHBondContact O-N 3.13Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 2.86Å; R53-T56 WeakPolarHBondContact O-CB 3.46Å; R53-T56 PolarHBondContact O-N 3.38Å; R53-C57 PolarHBondContact O-N 2.97Å; R53-C57 PolarHBondContact O-SG 3.36Å; R53-C57 VanDerWaalsContact O-SG 3.41Å; R53-I70 WeakPolarHBondContact CD-O 3.42Å; R53-I70 PolarHBondContact NH1-O 3.33Å; R53-L72 HydrophobicContact CB-CD2 4.37Å; R53-L72 VanDerWaalsContact CZ-CD2 3.5Å; R53-I76 HydrophobicContact CB-CD1 3.92Å; R53-I76 HydrophobicContact CB-CG1 4.39Å; R53-I76 HydrophobicContact CB-CG2 4.4Å
54	A	97.8	Very high	95.8	Very high	13 Å²	13	40.8 Å²	40.8	11%	0.107	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-45.2	-179.5	0	0	0	0	0	111.3	F30 H33 E50 T56 T58	F30-A54 HydrophobicContact CD2-CB 4.18Å; H33-A54 VanDerWaalsContact CD2-CB 3.48Å; H33-A54 WeakPolarHBondContact CD2-CB 3.28Å; E50-A54 VanDerWaalsContact O-CB 3.32Å; E50-A54 WeakPolarHBondContact O-CB 3.37Å; E50-A54 PolarHBondContact O-N 3.4Å; A54-T56 PolarHBondContact O-N 2.8Å; A54-T58 WeakPolarHBondContact O-CB 3.07Å; A54-T58 PolarHBondContact O-N 2.84Å; A54-T58 PolarHBondContact O-OG1 2.91Å
55	L	97.4	Very high	96.2	Very high	15 Å²	15	43.3 Å²	43.3	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-44.6	172.9	178.5	59.3	0	0	0	112	F20 L23 F30 F46 A51 R53 T58 L59	F20-L55 HydrophobicContact CD1-CD1 4.15Å; F20-L55 HydrophobicContact CE1-CD1 3.67Å; F20-L55 HydrophobicContact CE1-CD2 4.03Å; F20-L55 HydrophobicContact CZ-CD2 4.29Å; L23-L55 HydrophobicContact CD1-CD1 4.49Å; F30-L55 HydrophobicContact CD2-CB 4.29Å; F30-L55 HydrophobicContact CE2-CB 3.76Å; F30-L55 HydrophobicContact CE2-CD1 3.86Å; F30-L55 HydrophobicContact CE2-CG 4.36Å; F30-L55 HydrophobicContact CZ-CD1 3.83Å; F46-L55 HydrophobicContact CE1-CD2 3.73Å; F46-L55 HydrophobicContact CZ-CD2 4.4Å; A51-L55 VanDerWaalsContact O-CB 3.31Å; A51-L55 WeakPolarHBondContact O-CB 3.38Å; A51-L55 PolarHBondContact O-N 2.96Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 2.86Å; L55-T58 PolarHBondContact O-N 2.81Å; L55-L59 HydrophobicContact CD1-CD1 3.93Å; L55-L59 HydrophobicContact CD1-CD2 4.48Å; L55-L59 HydrophobicContact CD1-CG 3.94Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 HydrophobicContact CG-CG 4.41Å; L55-L59 WeakPolarHBondContact O-CB 3.08Å; L55-L59 VanDerWaalsContact O-CG 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 3.31Å
56	T	97.9	Very high	96.6	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-48	-177.5	-62.1	0	0	0	0	111.9	V52 R53 A54 T58 L59 L60 I70 I76 P77 V79	V52-T56 VanDerWaalsContact O-CB 3.32Å; V52-T56 WeakPolarHBondContact O-CB 3.31Å; V52-T56 PolarHBondContact O-N 2.97Å; V52-T56 PolarHBondContact O-OG1 3.44Å; R53-T56 WeakPolarHBondContact O-CB 3.46Å; R53-T56 PolarHBondContact O-N 3.38Å; A54-T56 PolarHBondContact O-N 2.8Å; T56-T58 VanDerWaalsContact C-N 3.35Å; T56-L59 PolarHBondContact O-N 2.81Å; T56-L60 HydrophobicContact CG2-CD1 4.17Å; T56-L60 WeakPolarHBondContact O-CG 3.36Å; T56-L60 PolarHBondContact O-N 3.07Å; T56-I70 HydrophobicContact CG2-CD1 4.43Å; T56-I76 HydrophobicContact CG2-CG2 4.46Å; T56-P77 HydrophobicContact CG2-CG 4.07Å; T56-P77 WeakPolarHBondContact CG2-O 3.21Å; T56-P77 PolarHBondContact OG1-O 3.34Å; T56-P77 VanDerWaalsContact OG1-O 3.13Å; T56-V79 HydrophobicContact CG2-CG2 4.05Å
57	C	98.4	Very high	97	Very high	28 Å²	28	39 Å²	39	19%	0.189	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-40.1	176.4	-63.1	0	0	0	0	111.4	R53 L60 K61 I68	R53-C57 PolarHBondContact O-N 2.97Å; R53-C57 PolarHBondContact O-SG 3.36Å; R53-C57 VanDerWaalsContact O-SG 3.41Å; C57-L60 PolarHBondContact O-N 2.97Å; C57-K61 VanDerWaalsContact O-CB 3.32Å; C57-K61 WeakPolarHBondContact O-CB 3.41Å; C57-K61 PolarHBondContact O-N 2.63Å; C57-I68 PolarHBondContact SG-O 2.97Å; C57-I68 VanDerWaalsContact SG-O 3.36Å
58	T	98.6	Very high	97.4	Very high	9 Å²	9	34 Å²	34	6%	0.055	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-44.3	177.4	-62.1	0	0	0	0	112.1	L23 Y27 F30 A54 L55 T56 K61 E62	L23-T58 HydrophobicContact CB-CG2 4.26Å; L23-T58 HydrophobicContact CD1-CG2 4.36Å; L23-T58 HydrophobicContact CD2-CG2 4.01Å; L23-T58 HydrophobicContact CG-CG2 4.43Å; Y27-T58 HydrophobicContact CD2-CG2 3.49Å; Y27-T58 VanDerWaalsContact CD2-CG2 3.49Å; Y27-T58 HydrophobicContact CE2-CG2 4Å; Y27-T58 HydrophobicContact CG-CG2 3.8Å; F30-T58 HydrophobicContact CB-CG2 4.39Å; F30-T58 WeakPolarHBondContact CB-OG1 3.34Å; F30-T58 HydrophobicContact CD1-CG2 4.39Å; F30-T58 HydrophobicContact CG-CG2 4.4Å; A54-T58 WeakPolarHBondContact O-CB 3.07Å; A54-T58 PolarHBondContact O-N 2.84Å; A54-T58 PolarHBondContact O-OG1 2.91Å; L55-T58 PolarHBondContact O-N 2.81Å; T56-T58 VanDerWaalsContact C-N 3.35Å; T58-K61 PolarHBondContact O-N 2.92Å; T58-E62 WeakPolarHBondContact O-CB 3.26Å; T58-E62 PolarHBondContact O-N 2.9Å
59	L	98.4	Very high	97.6	Very high	7 Å²	7	35 Å²	35	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-43.5	175.6	-73.5	176.5	0	0	0	111.9	Y13 P18 L23 L55 T56 K61 D63 V79	Y13-L59 HydrophobicContact CE1-CD2 4.07Å; P18-L59 HydrophobicContact CB-CD2 3.89Å; P18-L59 HydrophobicContact CG-CD1 4.18Å; P18-L59 HydrophobicContact CG-CD2 3.7Å; L23-L59 HydrophobicContact CD1-CD2 3.87Å; L55-L59 HydrophobicContact CD1-CD1 3.93Å; L55-L59 HydrophobicContact CD1-CD2 4.48Å; L55-L59 HydrophobicContact CD1-CG 3.94Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 HydrophobicContact CG-CG 4.41Å; L55-L59 WeakPolarHBondContact O-CB 3.08Å; L55-L59 VanDerWaalsContact O-CG 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.48Å; L55-L59 PolarHBondContact O-N 3.31Å; T56-L59 PolarHBondContact O-N 2.81Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 3.47Å; L59-D63 VanDerWaalsContact O-CB 3.31Å; L59-D63 WeakPolarHBondContact O-CB 3.49Å; L59-D63 PolarHBondContact O-N 3.39Å; L59-V79 HydrophobicContact CB-CG2 4.14Å; L59-V79 HydrophobicContact CD1-CG2 4.42Å
60	L	98.7	Very high	97.7	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-38.3	177.2	-72.5	168.7	0	0	0	111.9	T56 C57 F64 G65 L66 I68 V79 I112 L116	T56-L60 HydrophobicContact CG2-CD1 4.17Å; T56-L60 WeakPolarHBondContact O-CG 3.36Å; T56-L60 PolarHBondContact O-N 3.07Å; C57-L60 PolarHBondContact O-N 2.97Å; L60-F64 HydrophobicContact CD2-CD2 4.3Å; L60-F64 CarbonylContact O-C 3.55Å; L60-F64 WeakPolarHBondContact O-CA 3.16Å; L60-F64 WeakPolarHBondContact O-CB 3.47Å; L60-F64 PolarHBondContact O-N 2.72Å; L60-F64 VanDerWaalsContact O-N 3.14Å; L60-G65 PolarHBondContact O-N 2.97Å; L60-G65 VanDerWaalsContact O-N 3.11Å; L60-L66 CarbonylContact C-O 3.42Å; L60-L66 HydrophobicContact CB-CB 4.08Å; L60-L66 HydrophobicContact CD2-CD1 4.25Å; L60-L66 PolarHBondContact O-N 3.48Å; L60-I68 HydrophobicContact CD1-CD1 3.33Å; L60-I68 HydrophobicContact CD1-CG1 3.8Å; L60-V79 HydrophobicContact CD2-CG1 4.06Å; L60-V79 HydrophobicContact CD2-CG2 4.22Å; L60-V79 HydrophobicContact CG-CG2 4Å; L60-I112 HydrophobicContact CD1-CD1 4Å; L60-I112 HydrophobicContact CD2-CD1 4.28Å; L60-L116 HydrophobicContact CD2-CD2 3.92Å
61	K	98.5	Very high	97.8	Very high	99 Å²	99	29.3 Å²	29.3	43%	0.43	16%	0.161	S	C	.	.	H	α-helix	trans	-71.1	-43.7	178.6	-166.8	169.7	-175.5	174.9	0	113	Y27 C57 T58 L59 G65 L66	Y27-K61 HydrophobicContact CE1-CD 3.99Å; Y27-K61 HydrophobicContact CE1-CG 4.35Å; C57-K61 VanDerWaalsContact O-CB 3.32Å; C57-K61 WeakPolarHBondContact O-CB 3.41Å; C57-K61 PolarHBondContact O-N 2.63Å; T58-K61 PolarHBondContact O-N 2.92Å; L59-K61 VanDerWaalsContact C-N 3.3Å; L59-K61 PolarHBondContact O-N 3.47Å; K61-G65 WeakPolarHBondContact O-CA 3.3Å; K61-G65 PolarHBondContact O-N 2.79Å; K61-L66 WeakPolarHBondContact CA-O 3.3Å; K61-L66 PolarHBondContact N-O 2.85Å; K61-L66 VanDerWaalsContact N-O 3.13Å
62	E	98.1	Very high	97.7	Very high	54 Å²	54	31.4 Å²	31.4	25%	0.252	17%	0.172	S	C	.	.	H	α-helix	trans	-75.1	-49.8	-179.7	-180	67.6	175.8	0	0	112.7	Y22 L23 K26 Y27 T58	Y22-E62 HydrophobicContact CE1-CG 4.46Å; Y22-E62 VanDerWaalsContact CE1-OE1 3.23Å; Y22-E62 WeakPolarHBondContact CE1-OE1 3.35Å; Y22-E62 VanDerWaalsContact CZ-OE1 3.31Å; Y22-E62 PolarHBondContact OH-OE1 2.98Å; L23-E62 HydrophobicContact CD2-CB 4.17Å; L23-E62 HydrophobicContact CD2-CG 3.93Å; K26-E62 VanDerWaalsContact CE-OE2 3.3Å; K26-E62 WeakPolarHBondContact CE-OE2 3.13Å; K26-E62 IonicContact NZ-OE1 2.75Å; K26-E62 PolarHBondContact NZ-OE1 3.3Å; K26-E62 IonicContact NZ-OE2 3.6Å; K26-E62 PolarHBondContact NZ-OE2 3.08Å; Y27-E62 HydrophobicContact CE2-CB 4.14Å; Y27-E62 PolarHBondContact OH-OE2 3.14Å; T58-E62 WeakPolarHBondContact O-CB 3.26Å; T58-E62 PolarHBondContact O-N 2.9Å
63	D	97.9	Very high	97.5	Very high	47 Å²	47	36.3 Å²	36.3	25%	0.251	19%	0.193	S	C	.	.	H	α-helix	trans	-85.5	-24	-171.4	-85.4	-75.6	0	0	0	113.4	R12 Y13 L59	R12-D63 WeakPolarHBondContact CD-OD1 3.17Å; R12-D63 IonicContact CZ-OD1 3.95Å; R12-D63 IonicContact NE-OD1 2.78Å; R12-D63 VanDerWaalsContact NH1-CB 3.27Å; R12-D63 PolarHBondContact NH1-O 3.02Å; R12-D63 IonicContact NH1-OD1 3.81Å; R12-D63 PolarHBondContact NH1-OD1 2.92Å; R12-D63 PolarHBondContact NH2-O 3.39Å; Y13-D63 WeakPolarHBondContact CE1-OD2 3.38Å; Y13-D63 PolarHBondContact OH-OD2 3.07Å; L59-D63 VanDerWaalsContact O-CB 3.31Å; L59-D63 WeakPolarHBondContact O-CB 3.49Å; L59-D63 PolarHBondContact O-N 3.39Å
64	F	98.4	Very high	97.3	Very high	23 Å²	23	34 Å²	34	10%	0.101	19%	0.185	C	C	.	.	H	α-helix	trans	-131.4	-3.9	-171.9	-56.7	-88.9	0	0	0	114.6	L60 L66 V79 L83 L116 M120	L60-F64 HydrophobicContact CD2-CD2 4.3Å; L60-F64 CarbonylContact O-C 3.55Å; L60-F64 WeakPolarHBondContact O-CA 3.16Å; L60-F64 WeakPolarHBondContact O-CB 3.47Å; L60-F64 PolarHBondContact O-N 2.72Å; L60-F64 VanDerWaalsContact O-N 3.14Å; F64-L66 HydrophobicContact CB-CB 4.46Å; F64-L66 HydrophobicContact CB-CD1 3.99Å; F64-L66 HydrophobicContact CB-CG 4.18Å; F64-L66 PolarHBondContact O-N 2.75Å; F64-V79 HydrophobicContact CE2-CG1 4.14Å; F64-L83 HydrophobicContact CE1-CD2 4.07Å; F64-L83 HydrophobicContact CE2-CD1 4.29Å; F64-L83 HydrophobicContact CZ-CD1 3.74Å; F64-L83 HydrophobicContact CZ-CD2 3.81Å; F64-L83 HydrophobicContact CZ-CG 4.35Å; F64-L116 HydrophobicContact CD1-CD2 3.88Å; F64-L116 HydrophobicContact CD2-CD2 4.26Å; F64-L116 HydrophobicContact CE1-CD2 4Å; F64-L116 HydrophobicContact CE2-CD2 4.36Å; F64-L116 HydrophobicContact CG-CD2 4.04Å; F64-L116 HydrophobicContact CZ-CD2 4.25Å; F64-M120 HydrophobicContact CD1-CG 4.08Å; F64-M120 HydrophobicContact CD1-SD 4.15Å; F64-M120 HydrophobicContact CE1-CG 3.98Å; F64-M120 HydrophobicContact CE1-SD 3.57Å; F64-M120 VanDerWaalsContact CE1-SD 3.57Å
65	G	98.4	Very high	97.1	Very high	56 Å²	56	34.9 Å²	34.9	58%	0.577	19%	0.188	S	C	*	.			trans	70.6	2.6	-175.2	0	0	0	0	0	114.9	L60 K61	L60-G65 PolarHBondContact O-N 2.97Å; L60-G65 VanDerWaalsContact O-N 3.11Å; K61-G65 WeakPolarHBondContact O-CA 3.3Å; K61-G65 PolarHBondContact O-N 2.79Å
66	L	98.7	Very high	97.1	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	19%	0.187	C	C	.	.			trans	-82.3	118.6	-174.3	-75.5	169.4	0	0	0	111	L60 K61 F64 L115 L116 N145 L147	L60-L66 CarbonylContact C-O 3.42Å; L60-L66 HydrophobicContact CB-CB 4.08Å; L60-L66 HydrophobicContact CD2-CD1 4.25Å; L60-L66 PolarHBondContact O-N 3.48Å; K61-L66 WeakPolarHBondContact CA-O 3.3Å; K61-L66 PolarHBondContact N-O 2.85Å; K61-L66 VanDerWaalsContact N-O 3.13Å; F64-L66 HydrophobicContact CB-CB 4.46Å; F64-L66 HydrophobicContact CB-CD1 3.99Å; F64-L66 HydrophobicContact CB-CG 4.18Å; F64-L66 PolarHBondContact O-N 2.75Å; L66-L115 HydrophobicContact CD1-CB 3.99Å; L66-L115 HydrophobicContact CD2-CB 4.24Å; L66-L115 HydrophobicContact CD2-CD2 4.38Å; L66-L116 HydrophobicContact CD1-CD2 4.36Å; L66-N145 WeakPolarHBondContact CA-OD1 3.41Å; L66-N145 HydrophobicContact CD2-CB 3.95Å; L66-L147 HydrophobicContact CD2-CD1 4.01Å
67	T	98.4	Very high	97	Very high	57 Å²	57	34.7 Å²	34.7	35%	0.35	19%	0.186	S	C	.	.			trans	-99.7	117.5	172.8	-62	0	0	0	0	109	Q144 N145	T67-Q144 WeakPolarHBondContact O-CG 3.43Å; T67-Q144 PolarHBondContact O-NE2 3.16Å; T67-N145 PolarHBondContact N-OD1 2.85Å; T67-N145 PolarHBondContact O-ND2 2.72Å; T67-N145 PolarHBondContact O-OD1 3.06Å
68	I	98.3	Very high	96.8	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.051	20%	0.197	C	C	.	.			trans	-132.7	151.8	179.8	65.8	162.2	0	0	0	112.5	C57 L60 I70 L115 N141	C57-I68 PolarHBondContact SG-O 2.97Å; C57-I68 VanDerWaalsContact SG-O 3.36Å; L60-I68 HydrophobicContact CD1-CD1 3.33Å; L60-I68 HydrophobicContact CD1-CG1 3.8Å; I68-I70 HydrophobicContact CD1-CD1 3.77Å; I68-I70 HydrophobicContact CD1-CG1 3.93Å; I68-I70 HydrophobicContact CG1-CG1 4.47Å; I68-L115 HydrophobicContact CG2-CD1 3.62Å; I68-N141 VanDerWaalsContact CA-OD1 3.27Å; I68-N141 WeakPolarHBondContact CA-OD1 3.22Å; I68-N141 HydrophobicContact CB-CB 4.47Å; I68-N141 WeakPolarHBondContact CB-OD1 3.36Å; I68-N141 HydrophobicContact CG2-CB 4.11Å
69	E	97.5	Very high	96.7	Very high	79 Å²	79	36.1 Å²	36.1	37%	0.369	19%	0.194	S	C	.	.			trans	-108.2	144.5	169	-67.1	175.6	-146.2	0	0	110.2	Y137 K140 N141	E69-Y137 HydrophobicContact CB-CD1 4.15Å; E69-Y137 HydrophobicContact CB-CE1 3.99Å; E69-K140 VanDerWaalsContact OE1-CE 3.25Å; E69-K140 WeakPolarHBondContact OE1-CE 3.46Å; E69-K140 IonicContact OE1-NZ 2.66Å; E69-K140 PolarHBondContact OE1-NZ 3.24Å; E69-K140 IonicContact OE2-NZ 2.65Å; E69-K140 PolarHBondContact OE2-NZ 3.11Å; E69-N141 PolarHBondContact N-OD1 2.8Å; E69-N141 PolarHBondContact O-ND2 3.1Å
70	I	96.8	Very high	96.5	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	20%	0.2	C	C	.	.			trans	-139.5	131.4	176.3	-45.9	179	0	0	0	108.8	R53 T56 I68 P77 A109	R53-I70 WeakPolarHBondContact CD-O 3.42Å; R53-I70 PolarHBondContact NH1-O 3.33Å; T56-I70 HydrophobicContact CG2-CD1 4.43Å; I68-I70 HydrophobicContact CD1-CD1 3.77Å; I68-I70 HydrophobicContact CD1-CG1 3.93Å; I68-I70 HydrophobicContact CG1-CG1 4.47Å; I70-P77 HydrophobicContact CD1-CG 4.33Å; I70-A109 HydrophobicContact CG2-CB 4.35Å
71	P	96.5	Very high	96.4	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.039	20%	0.202	C	C	.	.			trans	-68.2	151.1	170.5	28.5	-31.1	0	0	0	110.5	E73 R74 A109 I133 Y137	P71-E73 VanDerWaalsContact CB-OE2 3.26Å; P71-E73 WeakPolarHBondContact CB-OE2 3.19Å; P71-E73 PolarHBondContact O-N 3.11Å; P71-R74 HydrophobicContact CG-CB 4.01Å; P71-R74 HydrophobicContact CG-CG 3.85Å; P71-A109 HydrophobicContact CG-CB 4.04Å; P71-I133 HydrophobicContact CB-CG2 4.45Å; P71-I133 HydrophobicContact CG-CG2 3.9Å; P71-Y137 HydrophobicContact CB-CE2 4Å; P71-Y137 HydrophobicContact CG-CD2 3.93Å; P71-Y137 HydrophobicContact CG-CE2 3.82Å; P71-Y137 HydrophobicContact CG-CG 4.31Å
72	L	93.8	Very high	96.3	Very high	44 Å²	44	33.2 Å²	33.2	23%	0.23	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-14.3	179.4	-64.3	177.5	0	0	0	112.1	P49 E50 R53 R74 I76 T208	P49-L72 HydrophobicContact CB-CD2 3.97Å; E50-L72 HydrophobicContact CG-CD1 3.75Å; E50-L72 HydrophobicContact CG-CD2 4.1Å; R53-L72 HydrophobicContact CB-CD2 4.37Å; R53-L72 VanDerWaalsContact CZ-CD2 3.5Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-I76 HydrophobicContact CD2-CD1 4.45Å; L72-T208 WeakPolarHBondContact O-CB 3.49Å
73	E	91.2	Very high	96.3	Very high	119 Å²	119	30.7 Å²	30.7	56%	0.556	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	6.1	-178.1	-55.1	73.1	-162.6	0	0	112.9	P71 T208	P71-E73 VanDerWaalsContact CB-OE2 3.26Å; P71-E73 WeakPolarHBondContact CB-OE2 3.19Å; P71-E73 PolarHBondContact O-N 3.11Å; E73-T208 CarbonylContact C-O 3.59Å
74	R	93.4	Very high	96.2	Very high	32 Å²	32	28.5 Å²	28.5	12%	0.121	16%	0.16	C	C	.	.	S	Bend	trans	-134.9	169.8	178.5	-62.8	-63.4	-177.8	-86.9	5	112.2	P71 L72 I76 A109 D131 I133 C134 T208 E213	P71-R74 HydrophobicContact CG-CB 4.01Å; P71-R74 HydrophobicContact CG-CG 3.85Å; L72-R74 VanDerWaalsContact C-N 3.3Å; R74-I76 PolarHBondContact O-N 2.98Å; R74-I76 VanDerWaalsContact O-N 3.1Å; R74-A109 HydrophobicContact CB-CB 4.23Å; R74-A109 HydrophobicContact CG-CB 4.46Å; R74-D131 IonicContact CZ-OD1 2.66Å; R74-D131 VanDerWaalsContact CZ-OD1 3.3Å; R74-D131 IonicContact CZ-OD2 3.89Å; R74-D131 IonicContact NE-OD1 3.51Å; R74-D131 PolarHBondContact NE-OD1 3.12Å; R74-D131 IonicContact NE-OD2 2.83Å; R74-D131 IonicContact NH2-OD1 3.59Å; R74-D131 PolarHBondContact NH2-OD1 3.38Å; R74-D131 IonicContact NH2-OD2 2.72Å; R74-D131 PolarHBondContact NH2-OD2 2.8Å; R74-I133 HydrophobicContact CG-CG2 4.46Å; R74-C134 WeakPolarHBondContact CD-SG 2.8Å; R74-T208 CarbonylContact C-O 3.59Å; R74-T208 WeakPolarHBondContact CA-O 3.16Å; R74-T208 PolarHBondContact N-O 2.95Å; R74-T208 WeakPolarHBondContact O-CB 3.37Å; R74-T208 PolarHBondContact O-OG1 3.38Å; R74-E213 WeakPolarHBondContact CA-OE2 3.37Å; R74-E213 WeakPolarHBondContact CB-OE2 3.32Å; R74-E213 WeakPolarHBondContact CD-OE2 3.31Å
75	L	93.7	Very high	96.2	Very high	33 Å²	33	27.4 Å²	27.4	17%	0.173	16%	0.156	C	C	.	.			trans	-72.5	105.7	-168.4	-178.9	61.2	0	0	0	111.8	P77 E213	L75-P77 VanDerWaalsContact O-CD 3.29Å; L75-P77 WeakPolarHBondContact O-CD 3.32Å; L75-E213 HydrophobicContact CB-CB 4.48Å; L75-E213 VanDerWaalsContact CB-OE1 3.3Å; L75-E213 WeakPolarHBondContact CB-OE1 3.37Å; L75-E213 PolarHBondContact N-OE1 3.25Å; L75-E213 PolarHBondContact N-OE2 3.12Å
76	I	96.9	Very high	96.2	Very high	13 Å²	13	24.8 Å²	24.8	7%	0.067	13%	0.128	C	C	.	.			trans	-69.8	116.8	174	-55.5	160.9	0	0	0	108.6	P49 V52 R53 T56 L72 R74 T208	P49-I76 HydrophobicContact CB-CD1 4.25Å; P49-I76 WeakPolarHBondContact O-CD1 3.22Å; V52-I76 HydrophobicContact CG1-CB 4.38Å; V52-I76 HydrophobicContact CG1-CG2 3.88Å; R53-I76 HydrophobicContact CB-CD1 3.92Å; R53-I76 HydrophobicContact CB-CG1 4.39Å; R53-I76 HydrophobicContact CB-CG2 4.4Å; T56-I76 HydrophobicContact CG2-CG2 4.46Å; L72-I76 HydrophobicContact CD2-CD1 4.45Å; R74-I76 PolarHBondContact O-N 2.98Å; R74-I76 VanDerWaalsContact O-N 3.1Å; I76-T208 HydrophobicContact CD1-CG2 4.03Å; I76-T208 PolarHBondContact N-OG1 2.89Å
77	P	95.6	Very high	96.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.13	C	C	.	.			trans	-80.7	145.6	-175.8	34.8	-36.9	0	0	0	111.3	T56 I70 L75 R82 I112	T56-P77 HydrophobicContact CG2-CG 4.07Å; T56-P77 WeakPolarHBondContact CG2-O 3.21Å; T56-P77 PolarHBondContact OG1-O 3.34Å; T56-P77 VanDerWaalsContact OG1-O 3.13Å; I70-P77 HydrophobicContact CD1-CG 4.33Å; L75-P77 VanDerWaalsContact O-CD 3.29Å; L75-P77 WeakPolarHBondContact O-CD 3.32Å; P77-R82 HydrophobicContact CB-CG 4.08Å; P77-I112 HydrophobicContact CB-CD1 3.88Å; P77-I112 HydrophobicContact CB-CG2 3.87Å; P77-I112 HydrophobicContact CG-CB 4.22Å; P77-I112 HydrophobicContact CG-CD1 3.53Å; P77-I112 HydrophobicContact CG-CG1 4.47Å; P77-I112 HydrophobicContact CG-CG2 4.08Å
78	T	94.6	Very high	96.2	Very high	66 Å²	66	22.9 Å²	22.9	41%	0.405	12%	0.115	S	C	.	.			trans	-96.6	108.1	173.3	42.5	0	0	0	0	110.7	P80 L81 R82	T78-P80 VanDerWaalsContact C-CD 3.42Å; T78-P80 VanDerWaalsContact C-N 3.34Å; T78-P80 VanDerWaalsContact O-N 3.13Å; T78-L81 WeakPolarHBondContact O-CB 3.34Å; T78-L81 PolarHBondContact O-N 3.14Å; T78-R82 PolarHBondContact O-N 2.67Å
79	V	96.6	Very high	96.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-46.5	-45.2	-172.9	-163.2	0	0	0	0	113.9	Y13 T56 L59 L60 F64 L81 R82 L83 I112	Y13-V79 HydrophobicContact CE2-CB 4.3Å; Y13-V79 HydrophobicContact CE2-CG1 4.06Å; T56-V79 HydrophobicContact CG2-CG2 4.05Å; L59-V79 HydrophobicContact CB-CG2 4.14Å; L59-V79 HydrophobicContact CD1-CG2 4.42Å; L60-V79 HydrophobicContact CD2-CG1 4.06Å; L60-V79 HydrophobicContact CD2-CG2 4.22Å; L60-V79 HydrophobicContact CG-CG2 4Å; F64-V79 HydrophobicContact CE2-CG1 4.14Å; V79-L81 VanDerWaalsContact C-N 3.29Å; V79-L81 PolarHBondContact O-N 2.92Å; V79-R82 PolarHBondContact O-N 3.11Å; V79-R82 VanDerWaalsContact O-N 3.11Å; V79-L83 HydrophobicContact CG1-CD1 3.99Å; V79-L83 HydrophobicContact CG1-CG 4.24Å; V79-L83 WeakPolarHBondContact O-CG 3.32Å; V79-L83 PolarHBondContact O-N 3.25Å; V79-I112 HydrophobicContact CG2-CD1 4.44Å
80	P	95.6	Very high	96.1	Very high	24 Å²	24	20.2 Å²	20.2	16%	0.156	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-26.5	-179.7	-20.8	32.7	0	0	0	114.9	M7 N11 Y13 T78 N84	M7-P80 HydrophobicContact CE-CB 3.81Å; N11-P80 PolarHBondContact ND2-O 3.39Å; Y13-P80 HydrophobicContact CD2-CB 3.86Å; Y13-P80 HydrophobicContact CD2-CG 3.63Å; Y13-P80 HydrophobicContact CE2-CG 4.11Å; Y13-P80 HydrophobicContact CG-CB 4.39Å; Y13-P80 HydrophobicContact CG-CG 4.07Å; T78-P80 VanDerWaalsContact C-CD 3.42Å; T78-P80 VanDerWaalsContact C-N 3.34Å; T78-P80 VanDerWaalsContact O-N 3.13Å; P80-N84 PolarHBondContact O-N 2.99Å; P80-N84 PolarHBondContact O-ND2 3.22Å
81	L	94.9	Very high	96.1	Very high	10 Å²	10	22.5 Å²	22.5	5%	0.052	12%	0.115	C	C	.	.	H	α-helix	trans	-75.7	-43.7	171.8	170.6	57.6	0	0	0	110.8	T78 V79 L83 N84 Y85 M244 F271 Q273 R278	T78-L81 WeakPolarHBondContact O-CB 3.34Å; T78-L81 PolarHBondContact O-N 3.14Å; V79-L81 VanDerWaalsContact C-N 3.29Å; V79-L81 PolarHBondContact O-N 2.92Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 2.84Å; L81-N84 WeakPolarHBondContact O-CB 3.45Å; L81-N84 PolarHBondContact O-N 3.45Å; L81-Y85 PolarHBondContact O-N 2.89Å; L81-M244 HydrophobicContact CD1-SD 3.81Å; L81-M244 HydrophobicContact CD2-CE 4.31Å; L81-M244 HydrophobicContact CD2-SD 4.33Å; L81-M244 HydrophobicContact CG-SD 4.23Å; L81-F271 HydrophobicContact CD1-CB 3.93Å; L81-F271 HydrophobicContact CD1-CD2 4.02Å; L81-F271 HydrophobicContact CD1-CG 4.38Å; L81-Q273 HydrophobicContact CB-CG 4.05Å; L81-R278 HydrophobicContact CD1-CB 4.14Å; L81-R278 HydrophobicContact CD1-CG 3.88Å; L81-R278 HydrophobicContact CD2-CG 4Å
82	R	97.6	Very high	96.1	Very high	15 Å²	15	22.5 Å²	22.5	6%	0.057	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-41.4	-178.4	-55.4	-59.7	-171.9	-162.6	6.3	111.2	P77 T78 V79 N84 Y85 I86 I112 Y113 L116 N180	P77-R82 HydrophobicContact CB-CG 4.08Å; T78-R82 PolarHBondContact O-N 2.67Å; V79-R82 PolarHBondContact O-N 3.11Å; V79-R82 VanDerWaalsContact O-N 3.11Å; R82-N84 PolarHBondContact O-N 3.22Å; R82-Y85 WeakPolarHBondContact O-CB 3.2Å; R82-Y85 PolarHBondContact O-N 2.8Å; R82-Y85 VanDerWaalsContact O-N 3.1Å; R82-I86 PolarHBondContact O-N 2.97Å; R82-I112 HydrophobicContact CB-CD1 4.48Å; R82-I112 HydrophobicContact CG-CD1 4.09Å; R82-I112 HydrophobicContact CG-CG1 4.38Å; R82-I112 HydrophobicContact CG-CG2 3.89Å; R82-Y113 HydrophobicContact CB-CD1 4.2Å; R82-Y113 HydrophobicContact CB-CE1 3.86Å; R82-Y113 VanDerWaalsContact CD-CE1 3.47Å; R82-Y113 VanDerWaalsContact CD-CZ 3.47Å; R82-Y113 WeakPolarHBondContact CD-OH 3.32Å; R82-Y113 HydrophobicContact CG-CE1 4.22Å; R82-Y113 PolarHBondContact NH1-OH 2.87Å; R82-L116 HydrophobicContact CB-CD1 4.07Å; R82-N180 VanDerWaalsContact NH1-CG 3.33Å; R82-N180 PolarHBondContact NH1-OD1 2.98Å
83	L	97.5	Very high	96.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-62.1	-37.3	173.2	-70.5	169.5	0	0	0	114	R12 Y13 F64 V79 L81 Y85 I86 H87 L116 M120	R12-L83 HydrophobicContact CG-CD1 4.5Å; Y13-L83 HydrophobicContact CD2-CD1 3.7Å; Y13-L83 HydrophobicContact CE2-CD1 3.44Å; Y13-L83 VanDerWaalsContact CE2-CD1 3.44Å; F64-L83 HydrophobicContact CE1-CD2 4.07Å; F64-L83 HydrophobicContact CE2-CD1 4.29Å; F64-L83 HydrophobicContact CZ-CD1 3.74Å; F64-L83 HydrophobicContact CZ-CD2 3.81Å; F64-L83 HydrophobicContact CZ-CG 4.35Å; V79-L83 HydrophobicContact CG1-CD1 3.99Å; V79-L83 HydrophobicContact CG1-CG 4.24Å; V79-L83 WeakPolarHBondContact O-CG 3.32Å; V79-L83 PolarHBondContact O-N 3.25Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 2.84Å; L83-Y85 PolarHBondContact O-N 3.3Å; L83-I86 PolarHBondContact O-N 2.93Å; L83-H87 PolarHBondContact O-CD2 3.37Å; L83-H87 PolarHBondContact O-N 2.73Å; L83-L116 HydrophobicContact CD2-CD1 4.05Å; L83-L116 HydrophobicContact CD2-CD2 4.17Å; L83-L116 HydrophobicContact CG-CD1 4.31Å; L83-M120 HydrophobicContact CD2-CE 3.97Å; L83-M120 HydrophobicContact CD2-SD 3.5Å; L83-M120 WeakPolarHBondContact CD2-SD 3.5Å
84	N	96.8	Very high	96	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-58.4	-31	174.5	-79.7	-28.7	0	0	0	111.7	H8 N11 P80 L81 R82 W88 F271	H8-N84 WeakPolarHBondContact CB-OD1 3.15Å; H8-N84 PolarHBondContact N-OD1 3.26Å; N11-N84 PolarHBondContact ND2-OD1 2.85Å; P80-N84 PolarHBondContact O-N 2.99Å; P80-N84 PolarHBondContact O-ND2 3.22Å; L81-N84 WeakPolarHBondContact O-CB 3.45Å; L81-N84 PolarHBondContact O-N 3.45Å; R82-N84 PolarHBondContact O-N 3.22Å; N84-W88 PolarHBondContact O-N 2.93Å; N84-F271 HydrophobicContact CB-CB 4.02Å; N84-F271 HydrophobicContact CB-CD1 3.75Å; N84-F271 HydrophobicContact CB-CE1 4.36Å; N84-F271 HydrophobicContact CB-CG 3.9Å; N84-F271 WeakPolarHBondContact O-CE1 3.48Å
85	Y	98.3	Very high	95.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-82.5	-46.7	177.5	-162.2	179.9	0	0	0	111.9	L81 R82 L83 H87 W88 V89 Y113 M178 C179 S242 C243 M244 F271 A280	L81-Y85 PolarHBondContact O-N 2.89Å; R82-Y85 WeakPolarHBondContact O-CB 3.2Å; R82-Y85 PolarHBondContact O-N 2.8Å; R82-Y85 VanDerWaalsContact O-N 3.1Å; L83-Y85 PolarHBondContact O-N 3.3Å; Y85-H87 VanDerWaalsContact C-N 3.29Å; Y85-H87 PolarHBondContact O-N 2.93Å; Y85-W88 HydrophobicContact CD2-CE3 4.12Å; Y85-W88 HydrophobicContact CE2-CE3 4.04Å; Y85-W88 HydrophobicContact CE2-CZ3 4.34Å; Y85-W88 WeakPolarHBondContact O-CA 3.47Å; Y85-W88 PolarHBondContact O-N 3.02Å; Y85-V89 HydrophobicContact CD2-CG2 3.96Å; Y85-V89 HydrophobicContact CE2-CG2 3.94Å; Y85-V89 PolarHBondContact O-N 2.92Å; Y85-Y113 AromaticContact CD1-CE1 3.85Å; Y85-Y113 HydrophobicContact CD1-CE1 3.85Å; Y85-Y113 AromaticContact CD1-CZ 3.8Å; Y85-Y113 HydrophobicContact CG-CE1 4.4Å; Y85-M178 HydrophobicContact CD1-CE 3.74Å; Y85-M178 HydrophobicContact CD2-CE 4.12Å; Y85-M178 HydrophobicContact CE1-CB 4.15Å; Y85-M178 HydrophobicContact CE1-CE 3.95Å; Y85-M178 HydrophobicContact CE2-CB 4.29Å; Y85-M178 HydrophobicContact CE2-CE 4.3Å; Y85-M178 HydrophobicContact CG-CE 3.83Å; Y85-C179 PolarHBondContact OH-N 3.35Å; Y85-S242 PolarHBondContact OH-O 2.91Å; Y85-S242 PolarHBondContact OH-OG 3.38Å; Y85-C243 VanDerWaalsContact OH-CA 3.27Å; Y85-C243 WeakPolarHBondContact OH-CA 3.39Å; Y85-C243 PolarHBondContact OH-N 3.43Å; Y85-M244 HydrophobicContact CD1-CB 4.04Å; Y85-M244 HydrophobicContact CD1-SD 4.48Å; Y85-M244 HydrophobicContact CE1-CB 3.7Å; Y85-F271 HydrophobicContact CD1-CE2 4.27Å; Y85-F271 HydrophobicContact CD2-CE2 4.04Å; Y85-F271 AromaticContact CD2-CZ 3.72Å; Y85-F271 HydrophobicContact CD2-CZ 3.72Å; Y85-F271 AromaticContact CG-CE2 3.74Å; Y85-F271 HydrophobicContact CG-CE2 3.74Å; Y85-F271 AromaticContact CG-CZ 3.82Å; Y85-F271 HydrophobicContact CG-CZ 3.82Å; Y85-A280 HydrophobicContact CE2-CB 4.49Å
86	I	98.4	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-51.9	-48.7	174.2	-66.3	-68.5	0	0	0	110.7	R82 L83 W88 V89 E90 Y113 L116 M120 W123 M178	R82-I86 PolarHBondContact O-N 2.97Å; L83-I86 PolarHBondContact O-N 2.93Å; I86-W88 VanDerWaalsContact C-N 3.29Å; I86-W88 PolarHBondContact O-N 3.41Å; I86-V89 WeakPolarHBondContact O-CB 3.49Å; I86-V89 PolarHBondContact O-N 3.11Å; I86-V89 VanDerWaalsContact O-N 3.11Å; I86-E90 PolarHBondContact O-N 2.9Å; I86-Y113 HydrophobicContact CD1-CD1 4.15Å; I86-Y113 HydrophobicContact CG1-CD1 4.28Å; I86-L116 HydrophobicContact CD1-CB 4.48Å; I86-L116 HydrophobicContact CG1-CB 4.21Å; I86-M120 HydrophobicContact CG2-CE 3.91Å; I86-W123 HydrophobicContact CD1-CZ3 4.34Å; I86-W123 HydrophobicContact CG2-CH2 4.37Å; I86-W123 HydrophobicContact CG2-CZ3 4.2Å; I86-M178 HydrophobicContact CD1-CE 4.06Å; I86-M178 HydrophobicContact CD1-SD 4.21Å
87	H	97.8	Very high	93.3	Very high	13 Å²	13	31.8 Å²	31.8	6%	0.06	18%	0.178	C	C	.	.	H	α-helix	trans	-67.7	-25.3	178.2	-62	-55.2	0	0	0	114.4	H8 R10 L83 Y85 E90 D91 M120	H8-H87 HydrophobicContact CB-CB 4.34Å; H8-H87 WeakPolarHBondContact ND1-CB 3.22Å; H8-H87 AromaticContact ND1-CG 3.76Å; R10-H87 PolarHBondContact NH2-O 2.84Å; R10-H87 PolarHBondContact O-NE2 2.78Å; L83-H87 PolarHBondContact O-CD2 3.37Å; L83-H87 PolarHBondContact O-N 2.73Å; Y85-H87 VanDerWaalsContact C-N 3.29Å; Y85-H87 PolarHBondContact O-N 2.93Å; H87-E90 WeakPolarHBondContact CA-OE2 3.24Å; H87-E90 IonicContact CE1-OE1 3.19Å; H87-E90 IonicContact CE1-OE2 2.79Å; H87-E90 IonicContact CG-OE2 3.84Å; H87-E90 VanDerWaalsContact ND1-CD 3.31Å; H87-E90 IonicContact ND1-OE1 2.78Å; H87-E90 PolarHBondContact ND1-OE1 3.45Å; H87-E90 IonicContact ND1-OE2 3.65Å; H87-E90 PolarHBondContact ND1-OE2 3.49Å; H87-E90 WeakPolarHBondContact O-CB 3.34Å; H87-D91 PolarHBondContact O-N 2.84Å; H87-M120 VanDerWaalsContact CE1-CE 3.47Å; H87-M120 WeakPolarHBondContact CE1-CE 3.41Å
88	W	97.8	Very high	92.6	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.038	20%	0.203	C	C	.	.	H	α-helix	trans	-77.9	-28.5	172.4	-171.7	56	0	0	0	112.4	N84 Y85 I86 D91 L92 T267 T269 F271 A280 A282	N84-W88 PolarHBondContact O-N 2.93Å; Y85-W88 HydrophobicContact CD2-CE3 4.12Å; Y85-W88 HydrophobicContact CE2-CE3 4.04Å; Y85-W88 HydrophobicContact CE2-CZ3 4.34Å; Y85-W88 WeakPolarHBondContact O-CA 3.47Å; Y85-W88 PolarHBondContact O-N 3.02Å; I86-W88 VanDerWaalsContact C-N 3.29Å; I86-W88 PolarHBondContact O-N 3.41Å; W88-D91 PolarHBondContact O-N 3.4Å; W88-L92 HydrophobicContact CD2-CD1 3.94Å; W88-L92 HydrophobicContact CE3-CD1 3.82Å; W88-L92 HydrophobicContact CH2-CD1 4.18Å; W88-L92 HydrophobicContact CZ2-CD1 4.26Å; W88-L92 HydrophobicContact CZ3-CD1 3.93Å; W88-L92 WeakPolarHBondContact O-CD1 3.48Å; W88-L92 VanDerWaalsContact O-CG 3.29Å; W88-L92 WeakPolarHBondContact O-CG 3.45Å; W88-L92 PolarHBondContact O-N 3.06Å; W88-T267 HydrophobicContact CZ2-CG2 4.06Å; W88-T269 HydrophobicContact CD2-CG2 3.44Å; W88-T269 VanDerWaalsContact CD2-CG2 3.44Å; W88-T269 VanDerWaalsContact CE2-CG2 3.45Å; W88-T269 HydrophobicContact CE3-CG2 3.89Å; W88-T269 HydrophobicContact CG-CG2 3.76Å; W88-T269 HydrophobicContact CH2-CG2 4.24Å; W88-T269 HydrophobicContact CZ2-CG2 3.85Å; W88-T269 HydrophobicContact CZ3-CG2 4.27Å; W88-F271 HydrophobicContact CB-CE1 3.88Å; W88-F271 HydrophobicContact CB-CZ 4.19Å; W88-F271 HydrophobicContact CD2-CZ 4.45Å; W88-F271 HydrophobicContact CE3-CZ 4.07Å; W88-F271 HydrophobicContact CG-CE1 4.25Å; W88-A280 HydrophobicContact CE3-CB 3.79Å; W88-A280 HydrophobicContact CH2-CB 4.05Å; W88-A280 HydrophobicContact CZ3-CB 3.37Å; W88-A282 HydrophobicContact CH2-CB 3.41Å; W88-A282 VanDerWaalsContact CH2-CB 3.41Å; W88-A282 HydrophobicContact CZ2-CB 4.19Å; W88-A282 HydrophobicContact CZ3-CB 3.83Å
89	V	98.2	Very high	92.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-41.1	168.6	175.7	0	0	0	0	110.5	Y85 I86 D91 L92 I93 W123 F176 M178	Y85-V89 HydrophobicContact CD2-CG2 3.96Å; Y85-V89 HydrophobicContact CE2-CG2 3.94Å; Y85-V89 PolarHBondContact O-N 2.92Å; I86-V89 WeakPolarHBondContact O-CB 3.49Å; I86-V89 PolarHBondContact O-N 3.11Å; I86-V89 VanDerWaalsContact O-N 3.11Å; V89-D91 VanDerWaalsContact C-N 3.31Å; V89-D91 PolarHBondContact O-N 2.99Å; V89-L92 PolarHBondContact O-N 3.28Å; V89-L92 VanDerWaalsContact O-N 3.12Å; V89-I93 HydrophobicContact CG1-CD1 4.38Å; V89-I93 HydrophobicContact CG1-CG2 4.29Å; V89-I93 WeakPolarHBondContact O-CG1 3.34Å; V89-I93 PolarHBondContact O-N 2.95Å; V89-W123 HydrophobicContact CB-CH2 4.08Å; V89-W123 HydrophobicContact CB-CZ3 4.33Å; V89-W123 HydrophobicContact CG1-CH2 3.75Å; V89-W123 HydrophobicContact CG1-CZ3 3.91Å; V89-F176 HydrophobicContact CG1-CB 4.21Å; V89-F176 HydrophobicContact CG1-CD1 3.66Å; V89-F176 HydrophobicContact CG1-CD2 3.69Å; V89-F176 HydrophobicContact CG1-CE1 3.87Å; V89-F176 HydrophobicContact CG1-CE2 3.91Å; V89-F176 HydrophobicContact CG1-CG 3.57Å; V89-F176 HydrophobicContact CG1-CZ 3.99Å; V89-M178 HydrophobicContact CG2-CE 4.28Å; V89-M178 HydrophobicContact CG2-SD 4.44Å
90	E	96.9	Very high	92.1	Very high	31 Å²	31	39.6 Å²	39.6	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-52.3	-48	169.5	-66.9	168	172.5	0	0	111.3	R10 I86 H87 L92 I93 D94 N121 W123	R10-E90 IonicContact CZ-OE2 3.54Å; R10-E90 IonicContact NE-OE2 2.71Å; R10-E90 PolarHBondContact NE-OE2 3.43Å; R10-E90 IonicContact NH2-OE2 3.58Å; R10-E90 PolarHBondContact NH2-OE2 2.92Å; I86-E90 PolarHBondContact O-N 2.9Å; H87-E90 WeakPolarHBondContact CA-OE2 3.24Å; H87-E90 IonicContact CE1-OE1 3.19Å; H87-E90 IonicContact CE1-OE2 2.79Å; H87-E90 IonicContact CG-OE2 3.84Å; H87-E90 VanDerWaalsContact ND1-CD 3.31Å; H87-E90 IonicContact ND1-OE1 2.78Å; H87-E90 PolarHBondContact ND1-OE1 3.45Å; H87-E90 IonicContact ND1-OE2 3.65Å; H87-E90 PolarHBondContact ND1-OE2 3.49Å; H87-E90 WeakPolarHBondContact O-CB 3.34Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 2.83Å; E90-I93 PolarHBondContact O-N 2.93Å; E90-D94 PolarHBondContact O-N 3.34Å; E90-N121 PolarHBondContact OE1-ND2 2.69Å; E90-W123 HydrophobicContact CG-CH2 3.83Å; E90-W123 HydrophobicContact CG-CZ2 3.83Å
91	D	96	Very high	92.2	Very high	52 Å²	52	42.8 Å²	42.8	28%	0.278	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-33.4	178.4	-66.2	-18.9	0	0	0	113.1	H8 R10 H87 W88 V89 P292	H8-D91 IonicContact CD2-OD2 2.8Å; H8-D91 IonicContact NE2-OD1 2.74Å; H8-D91 IonicContact NE2-OD2 3.56Å; H8-D91 PolarHBondContact NE2-OD2 3.44Å; H8-D91 VanDerWaalsContact NE2-OD2 3.08Å; R10-D91 IonicContact CZ-OD1 2.67Å; R10-D91 IonicContact NH1-OD1 3.89Å; R10-D91 PolarHBondContact NH1-OD1 3.05Å; R10-D91 IonicContact NH2-OD1 3.38Å; R10-D91 PolarHBondContact NH2-OD1 2.87Å; H87-D91 PolarHBondContact O-N 2.84Å; W88-D91 PolarHBondContact O-N 3.4Å; V89-D91 VanDerWaalsContact C-N 3.31Å; V89-D91 PolarHBondContact O-N 2.99Å; D91-P292 HydrophobicContact CB-CG 4.27Å; D91-P292 WeakPolarHBondContact O-CG 3.23Å
92	L	96.3	Very high	92.3	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-72.6	-38.9	179.2	-75.5	163	0	0	0	112	W88 V89 E90 W240 T267 A282 P292	W88-L92 HydrophobicContact CD2-CD1 3.94Å; W88-L92 HydrophobicContact CE3-CD1 3.82Å; W88-L92 HydrophobicContact CH2-CD1 4.18Å; W88-L92 HydrophobicContact CZ2-CD1 4.26Å; W88-L92 HydrophobicContact CZ3-CD1 3.93Å; W88-L92 WeakPolarHBondContact O-CD1 3.48Å; W88-L92 VanDerWaalsContact O-CG 3.29Å; W88-L92 WeakPolarHBondContact O-CG 3.45Å; W88-L92 PolarHBondContact O-N 3.06Å; V89-L92 PolarHBondContact O-N 3.28Å; V89-L92 VanDerWaalsContact O-N 3.12Å; E90-L92 VanDerWaalsContact C-N 3.33Å; E90-L92 PolarHBondContact O-N 2.83Å; L92-W240 HydrophobicContact CB-CD2 4.37Å; L92-W240 HydrophobicContact CB-CG 4.3Å; L92-W240 HydrophobicContact CD2-CD2 3.88Å; L92-W240 HydrophobicContact CD2-CE3 3.88Å; L92-W240 HydrophobicContact CD2-CH2 3.83Å; L92-W240 HydrophobicContact CD2-CZ2 3.8Å; L92-W240 HydrophobicContact CD2-CZ3 3.87Å; L92-W240 PolarHBondContact O-NE1 2.92Å; L92-T267 HydrophobicContact CD2-CG2 3.82Å; L92-A282 HydrophobicContact CD1-CB 3.74Å; L92-A282 HydrophobicContact CD2-CB 3.98Å; L92-P292 HydrophobicContact CD2-CG 3.89Å; L92-P292 HydrophobicContact CG-CG 4.26Å
93	I	94.8	Very high	92.3	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-98.4	6.9	-172.6	78.5	180	0	0	0	113.8	V89 E90 R100 W123 D175 F176	V89-I93 HydrophobicContact CG1-CD1 4.38Å; V89-I93 HydrophobicContact CG1-CG2 4.29Å; V89-I93 WeakPolarHBondContact O-CG1 3.34Å; V89-I93 PolarHBondContact O-N 2.95Å; E90-I93 PolarHBondContact O-N 2.93Å; I93-R100 HydrophobicContact CD1-CG 4.12Å; I93-R100 PolarHBondContact O-NH1 2.72Å; I93-R100 PolarHBondContact O-NH2 3.04Å; I93-W123 HydrophobicContact CD1-CH2 4.25Å; I93-W123 HydrophobicContact CD1-CZ2 3.6Å; I93-W123 HydrophobicContact CG1-CZ2 4.41Å; I93-D175 HydrophobicContact CD1-CB 4.48Å; I93-D175 HydrophobicContact CG2-CB 4.38Å; I93-F176 HydrophobicContact CD1-CD1 3.86Å; I93-F176 HydrophobicContact CD1-CE1 3.94Å; I93-F176 HydrophobicContact CG2-CB 4.17Å; I93-F176 HydrophobicContact CG2-CD1 4.07Å
94	D	88	Confident	92.4	Very high	133 Å²	133	41.6 Å²	41.6	71%	0.711	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	156.5	-176.1	-166.4	21.4	0	0	0	113.8	E90 Q96	E90-D94 PolarHBondContact O-N 3.34Å; D94-Q96 PolarHBondContact O-N 2.81Å
95	G	77.1	Confident	92.4	Very high	74 Å²	74	41.8 Å²	41.8	76%	0.763	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	-12.9	-179.7	0	0	0	0	0	116.2
96	Q	74.1	Confident	92.2	Very high	39 Å²	39	43.3 Å²	43.3	18%	0.182	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-84	154.8	-179.6	-60.8	160	39.7	0	0	112	D94 R100 R239	D94-Q96 PolarHBondContact O-N 2.81Å; Q96-R100 VanDerWaalsContact O-CZ 3.26Å; Q96-R100 PolarHBondContact O-NE 3.29Å; Q96-R100 PolarHBondContact O-NH2 3.09Å; Q96-R239 VanDerWaalsContact CD-NE 3.3Å
97	K	76.9	Confident	92.2	Very high	187 Å²	187	43.6 Å²	43.6	81%	0.813	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-78.2	144.5	-172.1	-64.7	-178.9	179.2	179.2	0	112.6	R100	K97-R100 WeakPolarHBondContact O-CD 3.48Å; K97-R100 PolarHBondContact O-NE 3.25Å; K97-R100 VanDerWaalsContact O-NE 3.12Å
98	Q	80.1	Confident	92.2	Very high	115 Å²	115	43.2 Å²	43.2	54%	0.537	24%	0.24	S	C	.	.	S	Bend	trans	-74.6	156.3	168.9	-72.4	-78.1	21.9	0	0	111.2	N121	Q98-N121 PolarHBondContact NE2-O 2.9Å; Q98-N121 VanDerWaalsContact NE2-O 3.11Å
99	P	87	Confident	92.2	Very high	102 Å²	102	42.9 Å²	42.9	66%	0.662	24%	0.239	S	C	*	.	S	Bend	cis	-79.8	144.8	-1.5	33	-35.1	0	0	0	112.9
100	R	94.7	Very high	92.2	Very high	16 Å²	16	43 Å²	43	6%	0.06	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-90.3	150.5	177.3	-52.1	-35.7	-165.1	74.1	18.7	113.3	I93 Q96 K97 W123 F124 D175	I93-R100 HydrophobicContact CD1-CG 4.12Å; I93-R100 PolarHBondContact O-NH1 2.72Å; I93-R100 PolarHBondContact O-NH2 3.04Å; Q96-R100 VanDerWaalsContact O-CZ 3.26Å; Q96-R100 PolarHBondContact O-NE 3.29Å; Q96-R100 PolarHBondContact O-NH2 3.09Å; K97-R100 WeakPolarHBondContact O-CD 3.48Å; K97-R100 PolarHBondContact O-NE 3.25Å; K97-R100 VanDerWaalsContact O-NE 3.12Å; R100-W123 HydrophobicContact CB-CG 4.15Å; R100-F124 WeakPolarHBondContact O-CB 3.47Å; R100-F124 PolarHBondContact O-N 3.04Å; R100-D175 WeakPolarHBondContact CA-OD2 3.48Å; R100-D175 WeakPolarHBondContact CB-OD2 3.32Å; R100-D175 WeakPolarHBondContact CD-OD1 3.15Å; R100-D175 IonicContact CZ-OD1 3.09Å; R100-D175 IonicContact NE-OD1 3.55Å; R100-D175 IonicContact NH1-OD1 2.78Å; R100-D175 PolarHBondContact NH1-OD1 3.03Å
101	R	96.6	Very high	92.3	Very high	90 Å²	90	41.6 Å²	41.6	34%	0.34	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.8	176.2	-59.2	-172	174.3	-158.7	-4.1	111	F124 I172 Y174 D175	R101-F124 CarbonylContact C-O 3.33Å; R101-F124 WeakPolarHBondContact CA-O 3.48Å; R101-F124 HydrophobicContact CB-CD1 4.14Å; R101-F124 HydrophobicContact CG-CB 4.24Å; R101-F124 HydrophobicContact CG-CD1 3.93Å; R101-F124 HydrophobicContact CG-CG 4.43Å; R101-I172 VanDerWaalsContact NH1-CD1 3.28Å; R101-Y174 HydrophobicContact CB-CD1 3.63Å; R101-Y174 HydrophobicContact CB-CE1 3.96Å; R101-Y174 HydrophobicContact CB-CG 4.19Å; R101-D175 PolarHBondContact N-OD2 3.39Å; R101-D175 PolarHBondContact O-N 2.84Å
102	G	97.4	Very high	92.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	160.9	173.8	0	0	0	0	0	113.2	F124 F125 L126 Y174 F176	G102-F124 PolarHBondContact N-O 3.04Å; G102-F125 WeakPolarHBondContact O-CA 3.31Å; G102-L126 PolarHBondContact O-N 2.93Å; G102-Y174 WeakPolarHBondContact O-CE1 3.29Å; G102-F176 CarbonylContact C-O 3.52Å; G102-F176 VanDerWaalsContact CA-CZ 3.42Å; G102-F176 WeakPolarHBondContact CA-O 3.47Å
103	I	97.9	Very high	92.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130	164.3	-48.6	-179.8	0	0	0	108.4	I105 L126 L162 L166 Y174 F176 C177 M178 L238	I103-I105 HydrophobicContact CG2-CG1 4.38Å; I103-L126 CarbonylContact C-O 3.57Å; I103-L126 VanDerWaalsContact CA-O 3.28Å; I103-L126 WeakPolarHBondContact CA-O 3.4Å; I103-L126 HydrophobicContact CG1-CB 4.4Å; I103-L126 HydrophobicContact CG2-CB 4.49Å; I103-L126 WeakPolarHBondContact CG2-O 3.44Å; I103-L162 HydrophobicContact CB-CD2 4.41Å; I103-L162 HydrophobicContact CD1-CD2 3.94Å; I103-L162 HydrophobicContact CG2-CD2 3.98Å; I103-L166 HydrophobicContact CD1-CD1 3.76Å; I103-L166 HydrophobicContact CD1-CD2 3.84Å; I103-L166 HydrophobicContact CD1-CG 4.06Å; I103-Y174 HydrophobicContact CD1-CD1 3.94Å; I103-Y174 HydrophobicContact CD1-CD2 4.24Å; I103-Y174 HydrophobicContact CD1-CE1 4.17Å; I103-Y174 HydrophobicContact CD1-CE2 4.47Å; I103-Y174 HydrophobicContact CD1-CG 3.98Å; I103-Y174 HydrophobicContact CG1-CD1 3.37Å; I103-Y174 HydrophobicContact CG1-CE1 3.59Å; I103-Y174 HydrophobicContact CG1-CG 3.91Å; I103-F176 PolarHBondContact N-O 2.74Å; I103-C177 HydrophobicContact CB-CB 3.9Å; I103-C177 CarbonylContact O-C 3.21Å; I103-C177 VanDerWaalsContact O-CA 3.24Å; I103-C177 WeakPolarHBondContact O-CA 3.47Å; I103-M178 PolarHBondContact O-N 3.47Å; I103-L238 HydrophobicContact CD1-CD2 4.19Å
104	D	98.4	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.7	171.6	-172	32.8	0	0	0	109.8	T107 Y113 P114 F125 L126 T128 M178	D104-T107 VanDerWaalsContact OD2-CA 3.27Å; D104-T107 WeakPolarHBondContact OD2-CA 3.27Å; D104-T107 WeakPolarHBondContact OD2-CB 3.46Å; D104-T107 PolarHBondContact OD2-OG1 3.02Å; D104-Y113 WeakPolarHBondContact OD1-CD2 3.43Å; D104-P114 HydrophobicContact CB-CG 3.92Å; D104-P114 VanDerWaalsContact OD2-CD 3.22Å; D104-P114 WeakPolarHBondContact OD2-CD 3.33Å; D104-F125 HydrophobicContact CB-CD1 4.15Å; D104-F125 HydrophobicContact CB-CE1 4.36Å; D104-L126 PolarHBondContact N-O 2.74Å; D104-T128 PolarHBondContact O-N 3.07Å; D104-T128 PolarHBondContact O-OG1 3.18Å; D104-M178 HydrophobicContact CB-CG 4.42Å
105	I	96.8	Very high	93.3	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	109	-173.8	-49.4	168.6	0	0	0	109.4	I103 L161 L162 C177 M178 C179 I227	I103-I105 HydrophobicContact CG2-CG1 4.38Å; I105-L161 HydrophobicContact CG2-CD2 4.04Å; I105-L162 HydrophobicContact CD1-CD1 4.18Å; I105-L162 HydrophobicContact CD1-CD2 3.68Å; I105-L162 HydrophobicContact CD1-CG 3.78Å; I105-L162 HydrophobicContact CG1-CD2 3.98Å; I105-C177 HydrophobicContact CD1-CB 4.38Å; I105-M178 PolarHBondContact N-O 2.81Å; I105-C179 HydrophobicContact CB-CB 3.99Å; I105-C179 HydrophobicContact CD1-CB 4.31Å; I105-C179 PolarHBondContact O-SG 2.78Å; I105-I227 HydrophobicContact CD1-CD1 4.42Å; I105-I227 HydrophobicContact CD1-CG2 4.43Å
106	G	95.6	Very high	94.3	Very high	32 Å²	32	29.3 Å²	29.3	33%	0.33	15%	0.15	S	C	.	.	S	Bend	trans	76	63.7	-174.3	0	0	0	0	0	110.8	G108 T128	G106-G108 PolarHBondContact O-N 3.38Å; G106-T128 VanDerWaalsContact CA-O 3.31Å; G106-T128 WeakPolarHBondContact CA-O 3.47Å; G106-T128 PolarHBondContact N-O 2.55Å
107	T	97.8	Very high	95.5	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.037	14%	0.141	C	C	.	.			trans	-68.2	-21.5	-172	-155.9	0	0	0	0	113.7	D104 C111 P114 A127 T128 E129 A138	D104-T107 VanDerWaalsContact OD2-CA 3.27Å; D104-T107 WeakPolarHBondContact OD2-CA 3.27Å; D104-T107 WeakPolarHBondContact OD2-CB 3.46Å; D104-T107 PolarHBondContact OD2-OG1 3.02Å; T107-C111 HydrophobicContact CG2-CB 4.38Å; T107-C111 WeakPolarHBondContact OG1-CA 3.18Å; T107-C111 PolarHBondContact OG1-SG 2.91Å; T107-P114 WeakPolarHBondContact OG1-CD 3.38Å; T107-A127 HydrophobicContact CG2-CB 4.14Å; T107-T128 PolarHBondContact N-O 2.7Å; T107-T128 VanDerWaalsContact N-O 3.07Å; T107-E129 HydrophobicContact CG2-CB 4.48Å; T107-E129 PolarHBondContact N-OE2 3.41Å; T107-A138 HydrophobicContact CG2-CB 3.9Å
108	G	97.6	Very high	96.5	Very high	6 Å²	6	18.8 Å²	18.8	6%	0.062	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	167.2	-179.1	0	0	0	0	0	113.3	G106 S110 C111 E129	G106-G108 PolarHBondContact O-N 3.38Å; G108-S110 PolarHBondContact O-N 2.98Å; G108-C111 PolarHBondContact O-N 3.24Å; G108-E129 WeakPolarHBondContact CA-OE2 3.38Å; G108-E129 PolarHBondContact N-OE2 3.29Å
109	A	98.2	Very high	97.3	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.017	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-31.1	-178.5	0	0	0	0	0	114.3	I70 P71 R74 C134 Y137 A138 N141	I70-A109 HydrophobicContact CG2-CB 4.35Å; P71-A109 HydrophobicContact CG-CB 4.04Å; R74-A109 HydrophobicContact CB-CB 4.23Å; R74-A109 HydrophobicContact CG-CB 4.46Å; A109-C134 WeakPolarHBondContact CA-O 3.23Å; A109-C134 PolarHBondContact N-SG 2.94Å; A109-C134 VanDerWaalsContact N-SG 3.39Å; A109-Y137 HydrophobicContact CB-CG 4.36Å; A109-Y137 CarbonylContact O-C 3.51Å; A109-A138 PolarHBondContact O-N 3.38Å; A109-N141 PolarHBondContact O-ND2 2.71Å
110	S	98.4	Very high	97.8	Very high	5 Å²	5	14 Å²	14	4%	0.035	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21	179.6	68.3	0	0	0	0	116.2	G108 I112 L115	G108-S110 PolarHBondContact O-N 2.98Å; S110-I112 PolarHBondContact O-N 3.19Å; S110-I112 WeakPolarHBondContact OG-CB 3.3Å; S110-I112 WeakPolarHBondContact OG-CG2 3.48Å; S110-I112 PolarHBondContact OG-N 3.42Å; S110-L115 WeakPolarHBondContact O-CD1 3.28Å
111	C	98.7	Very high	97.9	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	33.6	-168.9	-153	0	0	0	0	114.5	T107 G108 Y113 P114 L115 A138 V142	T107-C111 HydrophobicContact CG2-CB 4.38Å; T107-C111 WeakPolarHBondContact OG1-CA 3.18Å; T107-C111 PolarHBondContact OG1-SG 2.91Å; G108-C111 PolarHBondContact O-N 3.24Å; C111-Y113 PolarHBondContact O-N 2.88Å; C111-P114 VanDerWaalsContact O-CD 3.32Å; C111-P114 WeakPolarHBondContact O-CD 3.43Å; C111-L115 HydrophobicContact CB-CD1 4.26Å; C111-L115 HydrophobicContact CB-CG 4.28Å; C111-L115 VanDerWaalsContact O-CG 3.3Å; C111-L115 WeakPolarHBondContact O-CG 3.19Å; C111-L115 PolarHBondContact O-N 3.2Å; C111-A138 HydrophobicContact CB-CB 3.83Å; C111-V142 HydrophobicContact CB-CG2 4.47Å
112	I	98.8	Very high	98	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.015	9%	0.088	C	C	.	.	H	α-helix	trans	-71.2	-30	-158	-169.6	160.7	0	0	0	114.8	L60 P77 V79 R82 S110 L116	L60-I112 HydrophobicContact CD1-CD1 4Å; L60-I112 HydrophobicContact CD2-CD1 4.28Å; P77-I112 HydrophobicContact CB-CD1 3.88Å; P77-I112 HydrophobicContact CB-CG2 3.87Å; P77-I112 HydrophobicContact CG-CB 4.22Å; P77-I112 HydrophobicContact CG-CD1 3.53Å; P77-I112 HydrophobicContact CG-CG1 4.47Å; P77-I112 HydrophobicContact CG-CG2 4.08Å; V79-I112 HydrophobicContact CG2-CD1 4.44Å; R82-I112 HydrophobicContact CB-CD1 4.48Å; R82-I112 HydrophobicContact CG-CD1 4.09Å; R82-I112 HydrophobicContact CG-CG1 4.38Å; R82-I112 HydrophobicContact CG-CG2 3.89Å; S110-I112 PolarHBondContact O-N 3.19Å; S110-I112 WeakPolarHBondContact OG-CB 3.3Å; S110-I112 WeakPolarHBondContact OG-CG2 3.48Å; S110-I112 PolarHBondContact OG-N 3.42Å; I112-L116 HydrophobicContact CD1-CD1 4.41Å; I112-L116 HydrophobicContact CG1-CD1 3.79Å; I112-L116 HydrophobicContact CG1-CG 4.13Å; I112-L116 VanDerWaalsContact O-CB 3.32Å; I112-L116 WeakPolarHBondContact O-CB 3.47Å; I112-L116 VanDerWaalsContact O-CG 3.22Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.1Å; I112-L116 VanDerWaalsContact O-N 3.11Å
113	Y	98.8	Very high	98	Very high	4 Å²	4	13 Å²	13	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-72.8	-47.5	176.7	-56.9	-67.7	0	0	0	112	R82 Y85 I86 D104 C111 L116 G117 M178 N180	R82-Y113 HydrophobicContact CB-CD1 4.2Å; R82-Y113 HydrophobicContact CB-CE1 3.86Å; R82-Y113 VanDerWaalsContact CD-CE1 3.47Å; R82-Y113 VanDerWaalsContact CD-CZ 3.47Å; R82-Y113 WeakPolarHBondContact CD-OH 3.32Å; R82-Y113 HydrophobicContact CG-CE1 4.22Å; R82-Y113 PolarHBondContact NH1-OH 2.87Å; Y85-Y113 AromaticContact CD1-CE1 3.85Å; Y85-Y113 HydrophobicContact CD1-CE1 3.85Å; Y85-Y113 AromaticContact CD1-CZ 3.8Å; Y85-Y113 HydrophobicContact CG-CE1 4.4Å; I86-Y113 HydrophobicContact CD1-CD1 4.15Å; I86-Y113 HydrophobicContact CG1-CD1 4.28Å; D104-Y113 WeakPolarHBondContact OD1-CD2 3.43Å; C111-Y113 PolarHBondContact O-N 2.88Å; Y113-L116 PolarHBondContact O-N 2.84Å; Y113-G117 PolarHBondContact O-N 3.2Å; Y113-M178 HydrophobicContact CD1-CE 3.35Å; Y113-M178 HydrophobicContact CD1-SD 4.42Å; Y113-M178 HydrophobicContact CD2-CE 4.12Å; Y113-M178 HydrophobicContact CE1-CE 3.75Å; Y113-M178 HydrophobicContact CE2-CE 4.45Å; Y113-M178 HydrophobicContact CG-CE 3.54Å; Y113-M178 HydrophobicContact CG-SD 4.12Å; Y113-N180 HydrophobicContact CE2-CB 4.01Å
114	P	98.8	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.2	-49.6	170.8	-29.3	34.9	0	0	0	113.9	D104 T107 C111 L116 G117 A118 F125 A127 V151	D104-P114 HydrophobicContact CB-CG 3.92Å; D104-P114 VanDerWaalsContact OD2-CD 3.22Å; D104-P114 WeakPolarHBondContact OD2-CD 3.33Å; T107-P114 WeakPolarHBondContact OG1-CD 3.38Å; C111-P114 VanDerWaalsContact O-CD 3.32Å; C111-P114 WeakPolarHBondContact O-CD 3.43Å; P114-L116 PolarHBondContact O-N 3.37Å; P114-G117 PolarHBondContact O-N 3.19Å; P114-A118 WeakPolarHBondContact O-CB 3.44Å; P114-A118 PolarHBondContact O-N 3.29Å; P114-F125 HydrophobicContact CB-CB 3.81Å; P114-F125 HydrophobicContact CB-CD1 4.05Å; P114-F125 HydrophobicContact CB-CD2 4.08Å; P114-F125 HydrophobicContact CB-CG 3.74Å; P114-F125 HydrophobicContact CG-CB 4.06Å; P114-F125 HydrophobicContact CG-CD1 3.74Å; P114-F125 HydrophobicContact CG-CE1 4.27Å; P114-F125 HydrophobicContact CG-CG 3.93Å; P114-A127 HydrophobicContact CG-CB 3.73Å; P114-V151 HydrophobicContact CB-CB 4.35Å; P114-V151 HydrophobicContact CB-CG1 3.53Å; P114-V151 HydrophobicContact CB-CG2 3.81Å; P114-V151 HydrophobicContact CG-CG1 4.3Å
115	L	98.9	Very high	98	Very high	2 Å²	2	15 Å²	15	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-61.3	-43	-179	-66.8	174.7	0	0	0	112	L66 I68 S110 C111 T119 N141 V142 L147	L66-L115 HydrophobicContact CD1-CB 3.99Å; L66-L115 HydrophobicContact CD2-CB 4.24Å; L66-L115 HydrophobicContact CD2-CD2 4.38Å; I68-L115 HydrophobicContact CG2-CD1 3.62Å; S110-L115 WeakPolarHBondContact O-CD1 3.28Å; C111-L115 HydrophobicContact CB-CD1 4.26Å; C111-L115 HydrophobicContact CB-CG 4.28Å; C111-L115 VanDerWaalsContact O-CG 3.3Å; C111-L115 WeakPolarHBondContact O-CG 3.19Å; C111-L115 PolarHBondContact O-N 3.2Å; L115-T119 WeakPolarHBondContact O-CB 3.23Å; L115-T119 PolarHBondContact O-N 3.3Å; L115-T119 VanDerWaalsContact O-N 3.11Å; L115-T119 PolarHBondContact O-OG1 2.78Å; L115-N141 HydrophobicContact CD1-CB 4.22Å; L115-V142 HydrophobicContact CD2-CG2 4.09Å; L115-L147 HydrophobicContact CD2-CD1 3.66Å
116	L	98.8	Very high	98	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.5	-49.5	176.8	-73.7	174.1	0	0	0	111.9	L60 F64 L66 R82 L83 I86 I112 Y113 P114 T119 M120	L60-L116 HydrophobicContact CD2-CD2 3.92Å; F64-L116 HydrophobicContact CD1-CD2 3.88Å; F64-L116 HydrophobicContact CD2-CD2 4.26Å; F64-L116 HydrophobicContact CE1-CD2 4Å; F64-L116 HydrophobicContact CE2-CD2 4.36Å; F64-L116 HydrophobicContact CG-CD2 4.04Å; F64-L116 HydrophobicContact CZ-CD2 4.25Å; L66-L116 HydrophobicContact CD1-CD2 4.36Å; R82-L116 HydrophobicContact CB-CD1 4.07Å; L83-L116 HydrophobicContact CD2-CD1 4.05Å; L83-L116 HydrophobicContact CD2-CD2 4.17Å; L83-L116 HydrophobicContact CG-CD1 4.31Å; I86-L116 HydrophobicContact CD1-CB 4.48Å; I86-L116 HydrophobicContact CG1-CB 4.21Å; I112-L116 HydrophobicContact CD1-CD1 4.41Å; I112-L116 HydrophobicContact CG1-CD1 3.79Å; I112-L116 HydrophobicContact CG1-CG 4.13Å; I112-L116 VanDerWaalsContact O-CB 3.32Å; I112-L116 WeakPolarHBondContact O-CB 3.47Å; I112-L116 VanDerWaalsContact O-CG 3.22Å; I112-L116 WeakPolarHBondContact O-CG 3.41Å; I112-L116 PolarHBondContact O-N 3.1Å; I112-L116 VanDerWaalsContact O-N 3.11Å; Y113-L116 PolarHBondContact O-N 2.84Å; P114-L116 PolarHBondContact O-N 3.37Å; L116-T119 PolarHBondContact O-N 2.66Å; L116-M120 HydrophobicContact CB-SD 4.28Å; L116-M120 HydrophobicContact CD2-SD 4.25Å; L116-M120 WeakPolarHBondContact O-CB 3.09Å; L116-M120 VanDerWaalsContact O-CG 3.3Å; L116-M120 WeakPolarHBondContact O-CG 3.47Å; L116-M120 PolarHBondContact O-N 3.13Å
117	G	98.4	Very high	98.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.1	-34.6	-176.8	0	0	0	0	0	113.9	Y113 P114 N121 G122 W123	Y113-G117 PolarHBondContact O-N 3.2Å; P114-G117 PolarHBondContact O-N 3.19Å; G117-N121 CarbonylContact O-C 3.55Å; G117-N121 WeakPolarHBondContact O-CA 3.4Å; G117-N121 WeakPolarHBondContact O-CB 3.23Å; G117-N121 PolarHBondContact O-N 3.13Å; G117-G122 PolarHBondContact O-N 2.79Å; G117-W123 PolarHBondContact O-N 2.74Å
118	A	98.4	Very high	98	Very high	6 Å²	6	13.1 Å²	13.1	5%	0.05	8%	0.081	C	C	.	.	H	α-helix	trans	-64.4	-49	171.1	0	0	0	0	0	110.9	P114 G122 L147 L150 V151	P114-A118 WeakPolarHBondContact O-CB 3.44Å; P114-A118 PolarHBondContact O-N 3.29Å; A118-G122 WeakPolarHBondContact O-CA 3.44Å; A118-G122 PolarHBondContact O-N 3.22Å; A118-L147 HydrophobicContact CB-CD1 4.37Å; A118-L147 HydrophobicContact CB-CD2 4.19Å; A118-L150 HydrophobicContact CB-CB 4.05Å; A118-L150 HydrophobicContact CB-CD1 3.95Å; A118-V151 HydrophobicContact CB-CG2 4.12Å
119	T	98.3	Very high	97.9	Very high	60 Å²	60	13.2 Å²	13.2	37%	0.368	8%	0.079	S	C	.	.	H	α-helix	trans	-67.7	-39.2	-178.1	-55.3	0	0	0	0	113.2	L115 L116	L115-T119 WeakPolarHBondContact O-CB 3.23Å; L115-T119 PolarHBondContact O-N 3.3Å; L115-T119 VanDerWaalsContact O-N 3.11Å; L115-T119 PolarHBondContact O-OG1 2.78Å; L116-T119 PolarHBondContact O-N 2.66Å
120	M	97.6	Very high	97.7	Very high	57 Å²	57	15.5 Å²	15.5	28%	0.281	9%	0.093	S	C	.	.	H	α-helix	trans	-88.9	-32.8	-174.8	-70.3	169.4	44.2	0	0	113.7	F64 L83 I86 H87 L116	F64-M120 HydrophobicContact CD1-CG 4.08Å; F64-M120 HydrophobicContact CD1-SD 4.15Å; F64-M120 HydrophobicContact CE1-CG 3.98Å; F64-M120 HydrophobicContact CE1-SD 3.57Å; F64-M120 VanDerWaalsContact CE1-SD 3.57Å; L83-M120 HydrophobicContact CD2-CE 3.97Å; L83-M120 HydrophobicContact CD2-SD 3.5Å; L83-M120 WeakPolarHBondContact CD2-SD 3.5Å; I86-M120 HydrophobicContact CG2-CE 3.91Å; H87-M120 VanDerWaalsContact CE1-CE 3.47Å; H87-M120 WeakPolarHBondContact CE1-CE 3.41Å; L116-M120 HydrophobicContact CB-SD 4.28Å; L116-M120 HydrophobicContact CD2-SD 4.25Å; L116-M120 WeakPolarHBondContact O-CB 3.09Å; L116-M120 VanDerWaalsContact O-CG 3.3Å; L116-M120 WeakPolarHBondContact O-CG 3.47Å; L116-M120 PolarHBondContact O-N 3.13Å
121	N	96.8	Very high	97.5	Very high	36 Å²	36	16.4 Å²	16.4	19%	0.193	10%	0.098	C	C	.	.	H	α-helix	trans	-130.9	-1.7	-165.4	-48.2	93.6	0	0	0	113.8	E90 Q98 G117 W123	E90-N121 PolarHBondContact OE1-ND2 2.69Å; Q98-N121 PolarHBondContact NE2-O 2.9Å; Q98-N121 VanDerWaalsContact NE2-O 3.11Å; G117-N121 CarbonylContact O-C 3.55Å; G117-N121 WeakPolarHBondContact O-CA 3.4Å; G117-N121 WeakPolarHBondContact O-CB 3.23Å; G117-N121 PolarHBondContact O-N 3.13Å; N121-W123 HydrophobicContact CB-CD2 3.75Å; N121-W123 VanDerWaalsContact CB-CE2 3.43Å; N121-W123 HydrophobicContact CB-CG 3.86Å; N121-W123 HydrophobicContact CB-CZ2 3.98Å; N121-W123 VanDerWaalsContact CB-NE1 3.33Å; N121-W123 PolarHBondContact O-N 2.85Å
122	G	96.8	Very high	97.4	Very high	39 Å²	39	20.7 Å²	20.7	40%	0.402	12%	0.12	S	C	.	.			trans	66.6	22.6	-177.7	0	0	0	0	0	113.9	G117 A118	G117-G122 PolarHBondContact O-N 2.79Å; A118-G122 WeakPolarHBondContact O-CA 3.44Å; A118-G122 PolarHBondContact O-N 3.22Å
123	W	97.8	Very high	97.3	Very high	9 Å²	9	24 Å²	24	3%	0.034	14%	0.137	C	C	.	.			trans	-75	136.4	-177.1	-64.4	-12.6	0	0	0	111.9	I86 V89 E90 I93 R100 G117 N121 F125 F176	I86-W123 HydrophobicContact CD1-CZ3 4.34Å; I86-W123 HydrophobicContact CG2-CH2 4.37Å; I86-W123 HydrophobicContact CG2-CZ3 4.2Å; V89-W123 HydrophobicContact CB-CH2 4.08Å; V89-W123 HydrophobicContact CB-CZ3 4.33Å; V89-W123 HydrophobicContact CG1-CH2 3.75Å; V89-W123 HydrophobicContact CG1-CZ3 3.91Å; E90-W123 HydrophobicContact CG-CH2 3.83Å; E90-W123 HydrophobicContact CG-CZ2 3.83Å; I93-W123 HydrophobicContact CD1-CH2 4.25Å; I93-W123 HydrophobicContact CD1-CZ2 3.6Å; I93-W123 HydrophobicContact CG1-CZ2 4.41Å; R100-W123 HydrophobicContact CB-CG 4.15Å; G117-W123 PolarHBondContact O-N 2.74Å; N121-W123 HydrophobicContact CB-CD2 3.75Å; N121-W123 VanDerWaalsContact CB-CE2 3.43Å; N121-W123 HydrophobicContact CB-CG 3.86Å; N121-W123 HydrophobicContact CB-CZ2 3.98Å; N121-W123 VanDerWaalsContact CB-NE1 3.33Å; N121-W123 PolarHBondContact O-N 2.85Å; W123-F125 HydrophobicContact CB-CD2 4.14Å; W123-F125 HydrophobicContact CB-CE2 3.76Å; W123-F125 AromaticContact CE3-CE2 3.91Å; W123-F125 HydrophobicContact CE3-CE2 3.91Å; W123-F125 AromaticContact CE3-CZ 3.88Å; W123-F125 HydrophobicContact CE3-CZ 3.88Å; W123-F176 HydrophobicContact CD2-CE1 4.04Å; W123-F176 HydrophobicContact CD2-CZ 4.13Å; W123-F176 AromaticContact CE3-CE1 3.8Å; W123-F176 HydrophobicContact CE3-CE1 3.8Å; W123-F176 AromaticContact CE3-CZ 3.47Å; W123-F176 HydrophobicContact CE3-CZ 3.47Å; W123-F176 VanDerWaalsContact CE3-CZ 3.47Å; W123-F176 HydrophobicContact CZ3-CE1 4.09Å; W123-F176 AromaticContact CZ3-CZ 3.77Å; W123-F176 HydrophobicContact CZ3-CZ 3.77Å
124	F	98.1	Very high	97.2	Very high	42 Å²	42	23.8 Å²	23.8	18%	0.184	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	145.8	163.3	174.3	-90	0	0	0	110.1	R100 R101 G102 L150 K152 Y174	R100-F124 WeakPolarHBondContact O-CB 3.47Å; R100-F124 PolarHBondContact O-N 3.04Å; R101-F124 CarbonylContact C-O 3.33Å; R101-F124 WeakPolarHBondContact CA-O 3.48Å; R101-F124 HydrophobicContact CB-CD1 4.14Å; R101-F124 HydrophobicContact CG-CB 4.24Å; R101-F124 HydrophobicContact CG-CD1 3.93Å; R101-F124 HydrophobicContact CG-CG 4.43Å; G102-F124 PolarHBondContact N-O 3.04Å; F124-L150 CarbonylContact C-O 3.4Å; F124-L150 WeakPolarHBondContact CA-O 3.23Å; F124-L150 WeakPolarHBondContact CD2-O 3.34Å; F124-K152 HydrophobicContact CE2-CB 4.42Å; F124-K152 HydrophobicContact CZ-CB 4.07Å; F124-Y174 HydrophobicContact CE1-CE1 4.41Å
125	F	98.4	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.2	177.8	-83.9	-96.7	0	0	0	112.3	G102 D104 P114 W123 L150 V151 K152 F176 M178	G102-F125 WeakPolarHBondContact O-CA 3.31Å; D104-F125 HydrophobicContact CB-CD1 4.15Å; D104-F125 HydrophobicContact CB-CE1 4.36Å; P114-F125 HydrophobicContact CB-CB 3.81Å; P114-F125 HydrophobicContact CB-CD1 4.05Å; P114-F125 HydrophobicContact CB-CD2 4.08Å; P114-F125 HydrophobicContact CB-CG 3.74Å; P114-F125 HydrophobicContact CG-CB 4.06Å; P114-F125 HydrophobicContact CG-CD1 3.74Å; P114-F125 HydrophobicContact CG-CE1 4.27Å; P114-F125 HydrophobicContact CG-CG 3.93Å; W123-F125 HydrophobicContact CB-CD2 4.14Å; W123-F125 HydrophobicContact CB-CE2 3.76Å; W123-F125 AromaticContact CE3-CE2 3.91Å; W123-F125 HydrophobicContact CE3-CE2 3.91Å; W123-F125 AromaticContact CE3-CZ 3.88Å; W123-F125 HydrophobicContact CE3-CZ 3.88Å; F125-L150 PolarHBondContact N-O 3.32Å; F125-V151 HydrophobicContact CB-CG1 4.36Å; F125-V151 HydrophobicContact CB-CG2 4.45Å; F125-K152 PolarHBondContact O-N 3Å; F125-F176 AromaticContact CE1-CE2 3.75Å; F125-F176 HydrophobicContact CE1-CE2 3.75Å; F125-F176 AromaticContact CE1-CZ 3.88Å; F125-F176 HydrophobicContact CE1-CZ 3.88Å; F125-F176 HydrophobicContact CE2-CZ 4.34Å; F125-F176 AromaticContact CZ-CE2 3.97Å; F125-F176 HydrophobicContact CZ-CE2 3.97Å; F125-F176 AromaticContact CZ-CZ 3.69Å; F125-F176 HydrophobicContact CZ-CZ 3.69Å; F125-M178 HydrophobicContact CE1-SD 4.05Å; F125-M178 HydrophobicContact CZ-SD 4.38Å
126	L	97.2	Very high	97.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.2	153.8	178.7	63.2	0	0	0	107.9	G102 I103 D104 T128 K152 V154 A165 L166 Y174	G102-L126 PolarHBondContact O-N 2.93Å; I103-L126 CarbonylContact C-O 3.57Å; I103-L126 VanDerWaalsContact CA-O 3.28Å; I103-L126 WeakPolarHBondContact CA-O 3.4Å; I103-L126 HydrophobicContact CG1-CB 4.4Å; I103-L126 HydrophobicContact CG2-CB 4.49Å; I103-L126 WeakPolarHBondContact CG2-O 3.44Å; D104-L126 PolarHBondContact N-O 2.74Å; L126-T128 HydrophobicContact CG-CG2 4.36Å; L126-K152 HydrophobicContact CD1-CB 4.47Å; L126-K152 HydrophobicContact CD1-CD 4.04Å; L126-K152 HydrophobicContact CD1-CG 4.15Å; L126-V154 HydrophobicContact CD1-CB 4.35Å; L126-V154 HydrophobicContact CD1-CG2 3.6Å; L126-A165 HydrophobicContact CD2-CB 4.18Å; L126-L166 HydrophobicContact CD2-CD2 4.1Å; L126-Y174 HydrophobicContact CB-CE1 4.04Å
127	A	97.8	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.6	-175.5	0	0	0	0	0	109.7	T107 P114 V151 K152 V153 V154	T107-A127 HydrophobicContact CG2-CB 4.14Å; P114-A127 HydrophobicContact CG-CB 3.73Å; A127-V151 HydrophobicContact CB-CG1 4.15Å; A127-K152 PolarHBondContact N-O 3.46Å; A127-V153 HydrophobicContact CB-CG2 4.42Å; A127-V153 CarbonylContact O-C 3.58Å; A127-V153 WeakPolarHBondContact O-CA 2.89Å; A127-V154 PolarHBondContact O-N 2.92Å
128	T	96.3	Very high	97.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.3	-175.4	68.9	0	0	0	0	112.1	D104 G106 T107 L126 V154 V156 A165	D104-T128 PolarHBondContact O-N 3.07Å; D104-T128 PolarHBondContact O-OG1 3.18Å; G106-T128 VanDerWaalsContact CA-O 3.31Å; G106-T128 WeakPolarHBondContact CA-O 3.47Å; G106-T128 PolarHBondContact N-O 2.55Å; T107-T128 PolarHBondContact N-O 2.7Å; T107-T128 VanDerWaalsContact N-O 3.07Å; L126-T128 HydrophobicContact CG-CG2 4.36Å; T128-V154 WeakPolarHBondContact CA-O 3.45Å; T128-V156 HydrophobicContact CG2-CG1 4.09Å; T128-A165 HydrophobicContact CG2-CB 3.78Å
129	E	95.6	Very high	97.2	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.033	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.3	178.4	-171.1	46.8	-106.6	0	0	111.9	T107 G108 D131 C134 F135 V154 K155 V156	T107-E129 HydrophobicContact CG2-CB 4.48Å; T107-E129 PolarHBondContact N-OE2 3.41Å; G108-E129 WeakPolarHBondContact CA-OE2 3.38Å; G108-E129 PolarHBondContact N-OE2 3.29Å; E129-D131 PolarHBondContact OE1-N 2.86Å; E129-D131 VanDerWaalsContact OE1-N 3.07Å; E129-C134 VanDerWaalsContact CD-CB 3.48Å; E129-C134 HydrophobicContact CG-CB 3.41Å; E129-C134 VanDerWaalsContact CG-CB 3.41Å; E129-F135 HydrophobicContact CB-CB 4.34Å; E129-F135 HydrophobicContact CG-CB 4.25Å; E129-V154 PolarHBondContact N-O 3.16Å; E129-K155 CarbonylContact O-C 3.57Å; E129-K155 WeakPolarHBondContact O-CA 3.31Å; E129-V156 PolarHBondContact O-N 3.31Å
130	V	93.6	Very high	97.2	Very high	50 Å²	50	39.1 Å²	39.1	30%	0.303	20%	0.2	S	C	.	.			trans	-108.6	-24.4	-178.7	-59.5	0	0	0	0	112.7	V156	V130-V156 HydrophobicContact CG1-CG2 3.91Å
131	D	94.2	Very high	97.2	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.134	19%	0.187	C	C	.	.	S	Bend	trans	-94	127	-179.1	176.9	-97.5	0	0	0	111.9	R74 E129 I133 C134 F135	R74-D131 IonicContact CZ-OD1 2.66Å; R74-D131 VanDerWaalsContact CZ-OD1 3.3Å; R74-D131 IonicContact CZ-OD2 3.89Å; R74-D131 IonicContact NE-OD1 3.51Å; R74-D131 PolarHBondContact NE-OD1 3.12Å; R74-D131 IonicContact NE-OD2 2.83Å; R74-D131 IonicContact NH2-OD1 3.59Å; R74-D131 PolarHBondContact NH2-OD1 3.38Å; R74-D131 IonicContact NH2-OD2 2.72Å; R74-D131 PolarHBondContact NH2-OD2 2.8Å; E129-D131 PolarHBondContact OE1-N 2.86Å; E129-D131 VanDerWaalsContact OE1-N 3.07Å; D131-I133 PolarHBondContact O-N 2.93Å; D131-I133 PolarHBondContact OD1-N 3.39Å; D131-C134 HydrophobicContact CB-CB 4.03Å; D131-C134 PolarHBondContact O-N 3.01Å; D131-C134 VanDerWaalsContact O-N 3.16Å; D131-C134 PolarHBondContact OD1-N 2.78Å; D131-F135 PolarHBondContact O-N 3.38Å
132	D	95.7	Very high	97.3	Very high	89 Å²	89	34.9 Å²	34.9	48%	0.476	18%	0.179	S	C	.	.	H	α-helix	trans	-52.5	-47.8	-177.7	-71	43.9	0	0	0	113.2	F135 D136 K155	D132-F135 PolarHBondContact O-N 3.01Å; D132-D136 PolarHBondContact O-N 3.43Å; D132-K155 WeakPolarHBondContact OD1-CE 3.32Å; D132-K155 IonicContact OD1-NZ 2.67Å; D132-K155 PolarHBondContact OD1-NZ 3.18Å; D132-K155 IonicContact OD2-NZ 2.69Å; D132-K155 PolarHBondContact OD2-NZ 3.14Å
133	I	96.4	Very high	97.4	Very high	73 Å²	73	37.8 Å²	37.8	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-67.8	-42	-178.7	-56.2	-173.7	0	0	0	110	P71 R74 D131 Y137	P71-I133 HydrophobicContact CB-CG2 4.45Å; P71-I133 HydrophobicContact CG-CG2 3.9Å; R74-I133 HydrophobicContact CG-CG2 4.46Å; D131-I133 PolarHBondContact O-N 2.93Å; D131-I133 PolarHBondContact OD1-N 3.39Å; I133-Y137 HydrophobicContact CG2-CD2 3.81Å; I133-Y137 HydrophobicContact CG2-CE2 3.93Å; I133-Y137 WeakPolarHBondContact O-CB 3.39Å; I133-Y137 WeakPolarHBondContact O-CD2 3.06Å; I133-Y137 PolarHBondContact O-N 3.22Å; I133-Y137 VanDerWaalsContact O-N 3.15Å
134	C	97.6	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-41.7	173.7	-74.2	0	0	0	0	112.5	R74 A109 E129 D131 A138	R74-C134 WeakPolarHBondContact CD-SG 2.8Å; A109-C134 WeakPolarHBondContact CA-O 3.23Å; A109-C134 PolarHBondContact N-SG 2.94Å; A109-C134 VanDerWaalsContact N-SG 3.39Å; E129-C134 VanDerWaalsContact CD-CB 3.48Å; E129-C134 HydrophobicContact CG-CB 3.41Å; E129-C134 VanDerWaalsContact CG-CB 3.41Å; D131-C134 HydrophobicContact CB-CB 4.03Å; D131-C134 PolarHBondContact O-N 3.01Å; D131-C134 VanDerWaalsContact O-N 3.16Å; D131-C134 PolarHBondContact OD1-N 2.78Å; C134-A138 WeakPolarHBondContact O-CB 3.25Å; C134-A138 PolarHBondContact O-N 3.04Å
135	F	97.9	Very high	97.5	Very high	37 Å²	37	40.4 Å²	40.4	16%	0.162	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-49.9	179	170.3	-99.1	0	0	0	112.1	E129 D131 D132 A138 K139 V153 K155	E129-F135 HydrophobicContact CB-CB 4.34Å; E129-F135 HydrophobicContact CG-CB 4.25Å; D131-F135 PolarHBondContact O-N 3.38Å; D132-F135 PolarHBondContact O-N 3.01Å; F135-A138 PolarHBondContact O-N 2.98Å; F135-K139 HydrophobicContact CZ-CD 4.41Å; F135-K139 WeakPolarHBondContact O-CB 3.41Å; F135-K139 PolarHBondContact O-N 2.59Å; F135-V153 HydrophobicContact CD2-CG1 3.82Å; F135-V153 HydrophobicContact CE2-CG1 3.96Å; F135-K155 HydrophobicContact CD1-CB 4.41Å; F135-K155 HydrophobicContact CD1-CD 4.37Å; F135-K155 HydrophobicContact CD2-CB 3.69Å; F135-K155 HydrophobicContact CD2-CG 4.43Å; F135-K155 HydrophobicContact CE2-CB 3.85Å; F135-K155 HydrophobicContact CG-CB 4Å; F135-K155 HydrophobicContact CG-CD 4.42Å; F135-K155 HydrophobicContact CG-CG 4.31Å; F135-K155 HydrophobicContact CZ-CB 4.27Å
136	D	98.4	Very high	97.5	Very high	100 Å²	100	49.1 Å²	49.1	54%	0.535	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-44	-177.4	-72.6	-23.8	0	0	0	111.8	D132 K140	D132-D136 PolarHBondContact O-N 3.43Å; D136-K140 WeakPolarHBondContact O-CB 3.48Å; D136-K140 PolarHBondContact O-N 3.47Å
137	Y	98.7	Very high	97.6	Very high	73 Å²	73	50.2 Å²	50.2	29%	0.286	24%	0.24	S	C	.	.	H	α-helix	trans	-67.5	-39.9	174.9	-87	-91.1	0	0	0	112.3	E69 P71 A109 I133 K139 K140 N141	E69-Y137 HydrophobicContact CB-CD1 4.15Å; E69-Y137 HydrophobicContact CB-CE1 3.99Å; P71-Y137 HydrophobicContact CB-CE2 4Å; P71-Y137 HydrophobicContact CG-CD2 3.93Å; P71-Y137 HydrophobicContact CG-CE2 3.82Å; P71-Y137 HydrophobicContact CG-CG 4.31Å; A109-Y137 HydrophobicContact CB-CG 4.36Å; A109-Y137 CarbonylContact O-C 3.51Å; I133-Y137 HydrophobicContact CG2-CD2 3.81Å; I133-Y137 HydrophobicContact CG2-CE2 3.93Å; I133-Y137 WeakPolarHBondContact O-CB 3.39Å; I133-Y137 WeakPolarHBondContact O-CD2 3.06Å; I133-Y137 PolarHBondContact O-N 3.22Å; I133-Y137 VanDerWaalsContact O-N 3.15Å; Y137-K139 PolarHBondContact O-N 3Å; Y137-K140 PolarHBondContact O-N 3.11Å; Y137-N141 VanDerWaalsContact O-CB 3.23Å; Y137-N141 WeakPolarHBondContact O-CB 3.48Å; Y137-N141 PolarHBondContact O-N 2.98Å; Y137-N141 PolarHBondContact O-ND2 3.32Å; Y137-N141 VanDerWaalsContact O-ND2 3.08Å
138	A	98.8	Very high	97.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-46.3	177.3	0	0	0	0	0	111.2	T107 A109 C111 C134 F135 N141 V142 V153	T107-A138 HydrophobicContact CG2-CB 3.9Å; A109-A138 PolarHBondContact O-N 3.38Å; C111-A138 HydrophobicContact CB-CB 3.83Å; C134-A138 WeakPolarHBondContact O-CB 3.25Å; C134-A138 PolarHBondContact O-N 3.04Å; F135-A138 PolarHBondContact O-N 2.98Å; A138-N141 PolarHBondContact O-N 3.44Å; A138-V142 WeakPolarHBondContact O-CG2 3.27Å; A138-V142 PolarHBondContact O-N 3.03Å; A138-V153 HydrophobicContact CB-CG1 4.01Å
139	K	98.7	Very high	97.7	Very high	93 Å²	93	60.2 Å²	60.2	40%	0.404	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-51.2	176	-178.8	178.3	170.1	-177.2	0	111.6	F135 Y137 N141 V142 E143	F135-K139 HydrophobicContact CZ-CD 4.41Å; F135-K139 WeakPolarHBondContact O-CB 3.41Å; F135-K139 PolarHBondContact O-N 2.59Å; Y137-K139 PolarHBondContact O-N 3Å; K139-N141 VanDerWaalsContact C-N 3.25Å; K139-N141 PolarHBondContact O-N 3.04Å; K139-V142 PolarHBondContact O-N 3.19Å; K139-V142 VanDerWaalsContact O-N 3.13Å; K139-E143 WeakPolarHBondContact CE-OE1 3.34Å; K139-E143 HydrophobicContact CG-CG 4.49Å; K139-E143 IonicContact NZ-OE1 3.08Å; K139-E143 WeakPolarHBondContact O-CG 3.29Å; K139-E143 PolarHBondContact O-N 3.25Å
140	K	98.8	Very high	97.8	Very high	86 Å²	86	62.4 Å²	62.4	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-55.4	-41.2	175.6	-180	179.8	175.1	-176.1	0	111.9	E69 D136 Y137 E143 Q144	E69-K140 VanDerWaalsContact OE1-CE 3.25Å; E69-K140 WeakPolarHBondContact OE1-CE 3.46Å; E69-K140 IonicContact OE1-NZ 2.66Å; E69-K140 PolarHBondContact OE1-NZ 3.24Å; E69-K140 IonicContact OE2-NZ 2.65Å; E69-K140 PolarHBondContact OE2-NZ 3.11Å; D136-K140 WeakPolarHBondContact O-CB 3.48Å; D136-K140 PolarHBondContact O-N 3.47Å; Y137-K140 PolarHBondContact O-N 3.11Å; K140-E143 PolarHBondContact O-N 3.07Å; K140-Q144 WeakPolarHBondContact O-CG 3.19Å; K140-Q144 PolarHBondContact O-N 3.36Å
141	N	98.8	Very high	98	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-33.9	179.5	-77.5	-33.4	0	0	0	113.2	I68 E69 A109 L115 Y137 A138 K139 Q144 N145	I68-N141 VanDerWaalsContact CA-OD1 3.27Å; I68-N141 WeakPolarHBondContact CA-OD1 3.22Å; I68-N141 HydrophobicContact CB-CB 4.47Å; I68-N141 WeakPolarHBondContact CB-OD1 3.36Å; I68-N141 HydrophobicContact CG2-CB 4.11Å; E69-N141 PolarHBondContact N-OD1 2.8Å; E69-N141 PolarHBondContact O-ND2 3.1Å; A109-N141 PolarHBondContact O-ND2 2.71Å; L115-N141 HydrophobicContact CD1-CB 4.22Å; Y137-N141 VanDerWaalsContact O-CB 3.23Å; Y137-N141 WeakPolarHBondContact O-CB 3.48Å; Y137-N141 PolarHBondContact O-N 2.98Å; Y137-N141 PolarHBondContact O-ND2 3.32Å; Y137-N141 VanDerWaalsContact O-ND2 3.08Å; A138-N141 PolarHBondContact O-N 3.44Å; K139-N141 VanDerWaalsContact C-N 3.25Å; K139-N141 PolarHBondContact O-N 3.04Å; N141-Q144 PolarHBondContact OD1-NE2 3.1Å; N141-N145 PolarHBondContact O-ND2 3.13Å
142	V	98.8	Very high	98.2	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-46.8	171.6	168.4	0	0	0	0	111.4	C111 L115 A138 K139 N145 K146 L147 V151 V153	C111-V142 HydrophobicContact CB-CG2 4.47Å; L115-V142 HydrophobicContact CD2-CG2 4.09Å; A138-V142 WeakPolarHBondContact O-CG2 3.27Å; A138-V142 PolarHBondContact O-N 3.03Å; K139-V142 PolarHBondContact O-N 3.19Å; K139-V142 VanDerWaalsContact O-N 3.13Å; V142-N145 PolarHBondContact O-N 2.98Å; V142-K146 PolarHBondContact O-N 2.79Å; V142-L147 HydrophobicContact CG1-CB 4.34Å; V142-L147 PolarHBondContact O-N 2.92Å; V142-V151 HydrophobicContact CB-CB 4.5Å; V142-V151 HydrophobicContact CG1-CB 3.84Å; V142-V151 HydrophobicContact CG1-CG1 4.38Å; V142-V151 HydrophobicContact CG2-CB 3.78Å; V142-V151 HydrophobicContact CG2-CG1 3.51Å; V142-V151 HydrophobicContact CG2-CG2 4.46Å; V142-V153 HydrophobicContact CB-CG2 4.4Å; V142-V153 HydrophobicContact CG2-CG2 3.78Å
143	E	98.6	Very high	98.3	Very high	100 Å²	100	60.1 Å²	60.1	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-46.2	-177.2	-71.3	172.7	165.5	0	0	111.9	K139 K140 N145 K146	K139-E143 WeakPolarHBondContact CE-OE1 3.34Å; K139-E143 HydrophobicContact CG-CG 4.49Å; K139-E143 IonicContact NZ-OE1 3.08Å; K139-E143 WeakPolarHBondContact O-CG 3.29Å; K139-E143 PolarHBondContact O-N 3.25Å; K140-E143 PolarHBondContact O-N 3.07Å; E143-N145 VanDerWaalsContact C-N 3.28Å; E143-N145 PolarHBondContact O-N 3.41Å; E143-K146 PolarHBondContact O-N 2.89Å
144	Q	98.4	Very high	98.2	Very high	74 Å²	74	58.7 Å²	58.7	35%	0.346	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-26.5	-178.7	74.7	177	-44.7	0	0	113.9	T67 K140 N141 K146	T67-Q144 WeakPolarHBondContact O-CG 3.43Å; T67-Q144 PolarHBondContact O-NE2 3.16Å; K140-Q144 WeakPolarHBondContact O-CG 3.19Å; K140-Q144 PolarHBondContact O-N 3.36Å; N141-Q144 PolarHBondContact OD1-NE2 3.1Å; Q144-K146 VanDerWaalsContact C-N 3.34Å
145	N	98.8	Very high	98	Very high	32 Å²	32	63.3 Å²	63.3	17%	0.171	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.9	173.6	-67.5	-72.2	0	0	0	113.2	L66 T67 N141 V142 E143 L147	L66-N145 WeakPolarHBondContact CA-OD1 3.41Å; L66-N145 HydrophobicContact CD2-CB 3.95Å; T67-N145 PolarHBondContact N-OD1 2.85Å; T67-N145 PolarHBondContact O-ND2 2.72Å; T67-N145 PolarHBondContact O-OD1 3.06Å; N141-N145 PolarHBondContact O-ND2 3.13Å; V142-N145 PolarHBondContact O-N 2.98Å; E143-N145 VanDerWaalsContact C-N 3.28Å; E143-N145 PolarHBondContact O-N 3.41Å; N145-L147 VanDerWaalsContact C-N 3.3Å; N145-L147 HydrophobicContact CB-CD1 4.1Å; N145-L147 HydrophobicContact CB-CG 4.31Å; N145-L147 PolarHBondContact O-N 3.01Å
146	K	98.6	Very high	97.7	Very high	184 Å²	184	62.2 Å²	62.2	80%	0.8	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	35.8	-180	-50.7	176.9	-176.4	177.2	0	113.5	V142 E143 Q144	V142-K146 PolarHBondContact O-N 2.79Å; E143-K146 PolarHBondContact O-N 2.89Å; Q144-K146 VanDerWaalsContact C-N 3.34Å
147	L	98.6	Very high	97.2	Very high	24 Å²	24	61.5 Å²	61.5	13%	0.126	31%	0.305	C	S	.	.			trans	-102.3	11.2	-177.5	-71.4	172.2	0	0	0	113.7	L66 L115 A118 V142 N145 D149 L150 V151	L66-L147 HydrophobicContact CD2-CD1 4.01Å; L115-L147 HydrophobicContact CD2-CD1 3.66Å; A118-L147 HydrophobicContact CB-CD1 4.37Å; A118-L147 HydrophobicContact CB-CD2 4.19Å; V142-L147 HydrophobicContact CG1-CB 4.34Å; V142-L147 PolarHBondContact O-N 2.92Å; N145-L147 VanDerWaalsContact C-N 3.3Å; N145-L147 HydrophobicContact CB-CD1 4.1Å; N145-L147 HydrophobicContact CB-CG 4.31Å; N145-L147 PolarHBondContact O-N 3.01Å; L147-D149 PolarHBondContact O-N 2.98Å; L147-L150 HydrophobicContact CD2-CD1 4.29Å; L147-L150 CarbonylContact O-C 3.52Å; L147-L150 WeakPolarHBondContact O-CA 3.49Å; L147-L150 PolarHBondContact O-N 3.02Å; L147-V151 HydrophobicContact CB-CG2 4.4Å; L147-V151 PolarHBondContact O-N 2.63Å
148	S	98.4	Very high	96.2	Very high	62 Å²	62	64.7 Å²	64.7	43%	0.434	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.1	-176.4	-48.8	0	0	0	0	114.4	L150	S148-L150 PolarHBondContact O-N 3.11Å
149	D	97.8	Very high	95.1	Very high	151 Å²	151	73.9 Å²	73.9	81%	0.807	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.9	175	-59.7	-30.1	0	0	0	112.8	L147	L147-D149 PolarHBondContact O-N 2.98Å
150	L	98.3	Very high	93.9	Very high	53 Å²	53	70.4 Å²	70.4	28%	0.277	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-22.8	178.3	-67	178.7	0	0	0	113.1	A118 F124 F125 L147 S148	A118-L150 HydrophobicContact CB-CB 4.05Å; A118-L150 HydrophobicContact CB-CD1 3.95Å; F124-L150 CarbonylContact C-O 3.4Å; F124-L150 WeakPolarHBondContact CA-O 3.23Å; F124-L150 WeakPolarHBondContact CD2-O 3.34Å; F125-L150 PolarHBondContact N-O 3.32Å; L147-L150 HydrophobicContact CD2-CD1 4.29Å; L147-L150 CarbonylContact O-C 3.52Å; L147-L150 WeakPolarHBondContact O-CA 3.49Å; L147-L150 PolarHBondContact O-N 3.02Å; S148-L150 PolarHBondContact O-N 3.11Å
151	V	98.6	Very high	93.1	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	105.1	-174	-173.2	0	0	0	0	111.6	P114 A118 F125 A127 V142 L147 V153	P114-V151 HydrophobicContact CB-CB 4.35Å; P114-V151 HydrophobicContact CB-CG1 3.53Å; P114-V151 HydrophobicContact CB-CG2 3.81Å; P114-V151 HydrophobicContact CG-CG1 4.3Å; A118-V151 HydrophobicContact CB-CG2 4.12Å; F125-V151 HydrophobicContact CB-CG1 4.36Å; F125-V151 HydrophobicContact CB-CG2 4.45Å; A127-V151 HydrophobicContact CB-CG1 4.15Å; V142-V151 HydrophobicContact CB-CB 4.5Å; V142-V151 HydrophobicContact CG1-CB 3.84Å; V142-V151 HydrophobicContact CG1-CG1 4.38Å; V142-V151 HydrophobicContact CG2-CB 3.78Å; V142-V151 HydrophobicContact CG2-CG1 3.51Å; V142-V151 HydrophobicContact CG2-CG2 4.46Å; L147-V151 HydrophobicContact CB-CG2 4.4Å; L147-V151 PolarHBondContact O-N 2.63Å; V151-V153 HydrophobicContact CG1-CG2 4.07Å
152	K	97.6	Very high	92.4	Very high	86 Å²	86	66.9 Å²	66.9	37%	0.374	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	98.3	174	-179	-179.8	168.3	-177.8	0	109.4	F124 F125 L126 A127 V154 E169	F124-K152 HydrophobicContact CE2-CB 4.42Å; F124-K152 HydrophobicContact CZ-CB 4.07Å; F125-K152 PolarHBondContact O-N 3Å; L126-K152 HydrophobicContact CD1-CB 4.47Å; L126-K152 HydrophobicContact CD1-CD 4.04Å; L126-K152 HydrophobicContact CD1-CG 4.15Å; A127-K152 PolarHBondContact N-O 3.46Å; K152-V154 HydrophobicContact CD-CG2 4.44Å; K152-V154 HydrophobicContact CG-CG2 3.91Å; K152-E169 IonicContact NZ-OE1 3.84Å; K152-E169 PolarHBondContact NZ-OE1 3.21Å
153	V	97.8	Very high	91.5	Very high	26 Å²	26	69.1 Å²	69.1	16%	0.158	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.7	175.6	-172.2	0	0	0	0	110.1	A127 F135 A138 V142 V151	A127-V153 HydrophobicContact CB-CG2 4.42Å; A127-V153 CarbonylContact O-C 3.58Å; A127-V153 WeakPolarHBondContact O-CA 2.89Å; F135-V153 HydrophobicContact CD2-CG1 3.82Å; F135-V153 HydrophobicContact CE2-CG1 3.96Å; A138-V153 HydrophobicContact CB-CG1 4.01Å; V142-V153 HydrophobicContact CB-CG2 4.4Å; V142-V153 HydrophobicContact CG2-CG2 3.78Å; V151-V153 HydrophobicContact CG1-CG2 4.07Å
154	V	94.5	Very high	90.4	Very high	43 Å²	43	67.2 Å²	67.2	26%	0.261	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.5	-175.2	-177.7	0	0	0	0	111.2	L126 A127 T128 E129 K152 V156	L126-V154 HydrophobicContact CD1-CB 4.35Å; L126-V154 HydrophobicContact CD1-CG2 3.6Å; A127-V154 PolarHBondContact O-N 2.92Å; T128-V154 WeakPolarHBondContact CA-O 3.45Å; E129-V154 PolarHBondContact N-O 3.16Å; K152-V154 HydrophobicContact CD-CG2 4.44Å; K152-V154 HydrophobicContact CG-CG2 3.91Å; V154-V156 HydrophobicContact CG1-CG1 4.08Å
155	K	93.3	Very high	89.5	Confident	96 Å²	96	64.5 Å²	64.5	42%	0.417	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	128	172	-164.9	177.9	-177.5	-175.4	0	109.9	E129 D132 F135	E129-K155 CarbonylContact O-C 3.57Å; E129-K155 WeakPolarHBondContact O-CA 3.31Å; D132-K155 WeakPolarHBondContact OD1-CE 3.32Å; D132-K155 IonicContact OD1-NZ 2.67Å; D132-K155 PolarHBondContact OD1-NZ 3.18Å; D132-K155 IonicContact OD2-NZ 2.69Å; D132-K155 PolarHBondContact OD2-NZ 3.14Å; F135-K155 HydrophobicContact CD1-CB 4.41Å; F135-K155 HydrophobicContact CD1-CD 4.37Å; F135-K155 HydrophobicContact CD2-CB 3.69Å; F135-K155 HydrophobicContact CD2-CG 4.43Å; F135-K155 HydrophobicContact CE2-CB 3.85Å; F135-K155 HydrophobicContact CG-CB 4Å; F135-K155 HydrophobicContact CG-CD 4.42Å; F135-K155 HydrophobicContact CG-CG 4.31Å; F135-K155 HydrophobicContact CZ-CB 4.27Å
156	V	91.3	Very high	88.8	Confident	15 Å²	15	63 Å²	63	9%	0.091	32%	0.32	C	S	.	.			trans	-126.7	150.8	-176.8	-58.7	0	0	0	0	112.2	T128 E129 V130 V154	T128-V156 HydrophobicContact CG2-CG1 4.09Å; E129-V156 PolarHBondContact O-N 3.31Å; V130-V156 HydrophobicContact CG1-CG2 3.91Å; V154-V156 HydrophobicContact CG1-CG1 4.08Å
157	P	88.3	Confident	87.7	Confident	85 Å²	85	60.5 Å²	60.5	55%	0.552	31%	0.309	S	S	*	.			trans	-68.4	139	177.3	-18.3	31.4	0	0	0	112.4	K159 T160	P157-K159 PolarHBondContact O-N 2.87Å; P157-T160 HydrophobicContact CB-CG2 4.14Å; P157-T160 HydrophobicContact CG-CG2 4.32Å; P157-T160 WeakPolarHBondContact O-CB 3.44Å; P157-T160 PolarHBondContact O-N 3.35Å; P157-T160 PolarHBondContact O-OG1 3Å
158	Q	78.3	Confident	86.5	Confident	139 Å²	139	67.8 Å²	67.8	65%	0.65	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-25.8	-174.7	-165.2	-173.7	15.8	0	0	116	T160 R226	Q158-T160 VanDerWaalsContact C-N 3.27Å; Q158-T160 PolarHBondContact O-N 3.14Å; Q158-R226 PolarHBondContact O-NH2 3.37Å
159	K	74.6	Confident	85.4	Confident	194 Å²	194	66.2 Å²	66.2	84%	0.843	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.2	176.3	-66.3	-172.4	177.4	-176.5	0	113.1	P157 R226	P157-K159 PolarHBondContact O-N 2.87Å; K159-R226 VanDerWaalsContact C-NH2 3.3Å; K159-R226 PolarHBondContact O-NH2 3.16Å
160	T	73.3	Confident	84.4	Confident	19 Å²	19	63.5 Å²	63.5	12%	0.117	32%	0.317	C	S	.	.			trans	-99.2	157.2	-170.7	74.6	0	0	0	0	111.6	P157 Q158 D164	P157-T160 HydrophobicContact CB-CG2 4.14Å; P157-T160 HydrophobicContact CG-CG2 4.32Å; P157-T160 WeakPolarHBondContact O-CB 3.44Å; P157-T160 PolarHBondContact O-N 3.35Å; P157-T160 PolarHBondContact O-OG1 3Å; Q158-T160 VanDerWaalsContact C-N 3.27Å; Q158-T160 PolarHBondContact O-N 3.14Å; T160-D164 HydrophobicContact CG2-CB 3.76Å; T160-D164 WeakPolarHBondContact CG2-OD2 2.97Å
161	L	83.3	Confident	83.6	Confident	12 Å²	12	69.7 Å²	69.7	6%	0.063	35%	0.345	C	S	.	.	S	Bend	trans	-133.5	-89.2	175.7	-66.7	175.2	0	0	0	111.2	I105 F223 R226 I227	I105-L161 HydrophobicContact CG2-CD2 4.04Å; L161-F223 HydrophobicContact CD2-CE1 4.26Å; L161-F223 HydrophobicContact CD2-CE2 4.18Å; L161-F223 HydrophobicContact CD2-CZ 3.68Å; L161-R226 HydrophobicContact CD1-CB 3.46Å; L161-R226 VanDerWaalsContact CD1-CB 3.46Å; L161-I227 HydrophobicContact CD1-CG1 4.01Å
162	L	82.7	Confident	83.1	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	35%	0.354	C	S	.	.	S	Bend	trans	-96.2	-35.1	-178.3	-72.8	171.2	0	0	0	112.2	I103 I105 L166 C177 I227 D230 L234 L238 Y241	I103-L162 HydrophobicContact CB-CD2 4.41Å; I103-L162 HydrophobicContact CD1-CD2 3.94Å; I103-L162 HydrophobicContact CG2-CD2 3.98Å; I105-L162 HydrophobicContact CD1-CD1 4.18Å; I105-L162 HydrophobicContact CD1-CD2 3.68Å; I105-L162 HydrophobicContact CD1-CG 3.78Å; I105-L162 HydrophobicContact CG1-CD2 3.98Å; L162-L166 WeakPolarHBondContact O-CB 3.47Å; L162-L166 WeakPolarHBondContact O-CG 3.49Å; L162-L166 PolarHBondContact O-N 2.85Å; L162-C177 HydrophobicContact CD2-CB 4.13Å; L162-I227 HydrophobicContact CD1-CG2 4.23Å; L162-D230 HydrophobicContact CB-CB 4.23Å; L162-D230 PolarHBondContact N-OD2 3.24Å; L162-L234 HydrophobicContact CB-CD1 3.51Å; L162-L234 HydrophobicContact CD1-CD1 4.16Å; L162-L234 HydrophobicContact CG-CD1 4.44Å; L162-L238 HydrophobicContact CD1-CD2 4.33Å; L162-L238 HydrophobicContact CD2-CD2 4.43Å; L162-Y241 HydrophobicContact CD1-CD1 3.93Å; L162-Y241 HydrophobicContact CD1-CE1 3.98Å
163	M	80	Confident	82.9	Confident	51 Å²	51	72 Å²	72	25%	0.251	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-54.5	-174.9	-86.7	-61.3	-173.6	0	0	113.8	A165 L166 K167 D230 Q233 L234	M163-A165 PolarHBondContact O-N 3.22Å; M163-L166 CarbonylContact O-C 3.56Å; M163-L166 PolarHBondContact O-N 3.41Å; M163-L166 VanDerWaalsContact O-N 3.08Å; M163-K167 PolarHBondContact O-N 3.22Å; M163-K167 VanDerWaalsContact O-N 3.17Å; M163-D230 PolarHBondContact N-OD2 2.95Å; M163-D230 VanDerWaalsContact N-OD2 3.14Å; M163-Q233 HydrophobicContact CE-CB 3.22Å; M163-Q233 HydrophobicContact CE-CG 4.32Å; M163-L234 HydrophobicContact CE-CD2 3.89Å; M163-L234 HydrophobicContact CE-CG 3.72Å; M163-L234 HydrophobicContact SD-CD2 3.66Å; M163-L234 HydrophobicContact SD-CG 3.93Å
164	D	76.1	Confident	82.8	Confident	60 Å²	60	70.8 Å²	70.8	32%	0.321	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-67.6	-36.2	-176.3	-76.2	44.3	0	0	0	112.8	T160 L166 K167	T160-D164 HydrophobicContact CG2-CB 3.76Å; T160-D164 WeakPolarHBondContact CG2-OD2 2.97Å; D164-L166 PolarHBondContact O-N 3.03Å; D164-K167 HydrophobicContact CB-CD 4.28Å; D164-K167 VanDerWaalsContact CG-CE 3.4Å; D164-K167 PolarHBondContact O-N 3.45Å; D164-K167 VanDerWaalsContact OD1-CE 3.24Å; D164-K167 WeakPolarHBondContact OD1-CE 3.42Å; D164-K167 IonicContact OD1-NZ 2.67Å; D164-K167 PolarHBondContact OD1-NZ 3.31Å; D164-K167 VanDerWaalsContact OD1-NZ 3.09Å; D164-K167 WeakPolarHBondContact OD2-CE 3.36Å; D164-K167 IonicContact OD2-NZ 2.78Å; D164-K167 PolarHBondContact OD2-NZ 3.02Å
165	A	80.1	Confident	82.9	Confident	17 Å²	17	69.5 Å²	69.5	14%	0.14	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-62.3	-20.8	173.8	0	0	0	0	0	113	L126 T128 M163	L126-A165 HydrophobicContact CD2-CB 4.18Å; T128-A165 HydrophobicContact CG2-CB 3.78Å; M163-A165 PolarHBondContact O-N 3.22Å
166	L	83.5	Confident	83.1	Confident	1 Å²	1	65 Å²	65	1%	0.005	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-116.1	16.6	-176.7	-66.3	178.6	0	0	0	113.6	I103 L126 L162 M163 D164 Y174 L234 R237 L238	I103-L166 HydrophobicContact CD1-CD1 3.76Å; I103-L166 HydrophobicContact CD1-CD2 3.84Å; I103-L166 HydrophobicContact CD1-CG 4.06Å; L126-L166 HydrophobicContact CD2-CD2 4.1Å; L162-L166 WeakPolarHBondContact O-CB 3.47Å; L162-L166 WeakPolarHBondContact O-CG 3.49Å; L162-L166 PolarHBondContact O-N 2.85Å; M163-L166 CarbonylContact O-C 3.56Å; M163-L166 PolarHBondContact O-N 3.41Å; M163-L166 VanDerWaalsContact O-N 3.08Å; D164-L166 PolarHBondContact O-N 3.03Å; L166-Y174 HydrophobicContact CD2-CD2 4.03Å; L166-Y174 HydrophobicContact CD2-CE2 3.52Å; L166-L234 HydrophobicContact CD1-CD1 4.12Å; L166-L234 HydrophobicContact CD1-CD2 4.19Å; L166-R237 PolarHBondContact O-NH1 3.34Å; L166-R237 PolarHBondContact O-NH2 2.85Å; L166-L238 HydrophobicContact CD1-CD1 3.86Å
167	K	75.9	Confident	83.4	Confident	130 Å²	130	64.3 Å²	64.3	57%	0.565	32%	0.32	S	S	*	.	S	Bend	trans	-65.3	-42.7	177	-86.1	173.3	-178.8	175.2	0	113.1	M163 D164	M163-K167 PolarHBondContact O-N 3.22Å; M163-K167 VanDerWaalsContact O-N 3.17Å; D164-K167 HydrophobicContact CB-CD 4.28Å; D164-K167 VanDerWaalsContact CG-CE 3.4Å; D164-K167 PolarHBondContact O-N 3.45Å; D164-K167 VanDerWaalsContact OD1-CE 3.24Å; D164-K167 WeakPolarHBondContact OD1-CE 3.42Å; D164-K167 IonicContact OD1-NZ 2.67Å; D164-K167 PolarHBondContact OD1-NZ 3.31Å; D164-K167 VanDerWaalsContact OD1-NZ 3.09Å; D164-K167 WeakPolarHBondContact OD2-CE 3.36Å; D164-K167 IonicContact OD2-NZ 2.78Å; D164-K167 PolarHBondContact OD2-NZ 3.02Å
168	E	72.4	Confident	83.9	Confident	178 Å²	178	60.3 Å²	60.3	83%	0.832	29%	0.294	S	S	*	.	S	Bend	trans	-87.7	-29.2	-175.3	-63.8	174.3	-179.3	0	0	112.6	T170	E168-T170 VanDerWaalsContact C-N 3.32Å; E168-T170 PolarHBondContact O-N 2.88Å
169	E	75.4	Confident	84.9	Confident	28 Å²	28	53.7 Å²	53.7	13%	0.131	26%	0.263	C	S	.	.			trans	-92.9	45.8	-173.7	-68.2	-171.3	-154.3	0	0	112.9	K152 E171 I172 Y174 R237	K152-E169 IonicContact NZ-OE1 3.84Å; K152-E169 PolarHBondContact NZ-OE1 3.21Å; E169-E171 VanDerWaalsContact C-N 3.35Å; E169-E171 PolarHBondContact O-N 3.37Å; E169-I172 HydrophobicContact CB-CB 4.43Å; E169-I172 HydrophobicContact CB-CD1 3.94Å; E169-I172 HydrophobicContact CG-CD1 4.02Å; E169-I172 PolarHBondContact O-N 3.4Å; E169-I172 WeakPolarHBondContact OE2-CD1 3.49Å; E169-Y174 PolarHBondContact OE2-OH 3.35Å; E169-R237 VanDerWaalsContact C-NH2 3.29Å; E169-R237 PolarHBondContact O-NH2 3.07Å
170	T	76.3	Confident	85.9	Confident	94 Å²	94	45.4 Å²	45.4	58%	0.577	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-42.5	-169.9	48	0	0	0	0	114.6	E168 R237	E168-T170 VanDerWaalsContact C-N 3.32Å; E168-T170 PolarHBondContact O-N 2.88Å; T170-R237 PolarHBondContact O-NE 3.03Å
171	E	82.1	Confident	86.7	Confident	183 Å²	183	44.5 Å²	44.5	86%	0.855	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.7	-176.2	-58.2	-173.3	160.7	0	0	114.1	E169 I173	E169-E171 VanDerWaalsContact C-N 3.35Å; E169-E171 PolarHBondContact O-N 3.37Å; E171-I173 PolarHBondContact O-N 3.36Å
172	I	88.6	Confident	86.9	Confident	46 Å²	46	44.4 Å²	44.4	24%	0.236	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-83.3	120.4	-172.9	-65.1	163.6	0	0	0	109.8	R101 E169 Y174	R101-I172 VanDerWaalsContact NH1-CD1 3.28Å; E169-I172 HydrophobicContact CB-CB 4.43Å; E169-I172 HydrophobicContact CB-CD1 3.94Å; E169-I172 HydrophobicContact CG-CD1 4.02Å; E169-I172 PolarHBondContact O-N 3.4Å; E169-I172 WeakPolarHBondContact OE2-CD1 3.49Å; I172-Y174 HydrophobicContact CB-CE2 4.18Å; I172-Y174 HydrophobicContact CG2-CD2 3.74Å; I172-Y174 HydrophobicContact CG2-CE2 3.45Å; I172-Y174 VanDerWaalsContact CG2-CE2 3.45Å
173	I	92.5	Very high	86.9	Confident	93 Å²	93	45.5 Å²	45.5	48%	0.477	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-89.9	129.2	166.7	-60.1	168.6	0	0	0	108.5	E171 R237 R239	E171-I173 PolarHBondContact O-N 3.36Å; I173-R237 WeakPolarHBondContact CA-O 3.41Å; I173-R239 HydrophobicContact CG2-CG 4.18Å
174	Y	95.6	Very high	87	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	146	176.8	-79.1	-104.7	0	0	0	111	R101 G102 I103 F124 L126 L166 E169 I172 R237 L238 R239	R101-Y174 HydrophobicContact CB-CD1 3.63Å; R101-Y174 HydrophobicContact CB-CE1 3.96Å; R101-Y174 HydrophobicContact CB-CG 4.19Å; G102-Y174 WeakPolarHBondContact O-CE1 3.29Å; I103-Y174 HydrophobicContact CD1-CD1 3.94Å; I103-Y174 HydrophobicContact CD1-CD2 4.24Å; I103-Y174 HydrophobicContact CD1-CE1 4.17Å; I103-Y174 HydrophobicContact CD1-CE2 4.47Å; I103-Y174 HydrophobicContact CD1-CG 3.98Å; I103-Y174 HydrophobicContact CG1-CD1 3.37Å; I103-Y174 HydrophobicContact CG1-CE1 3.59Å; I103-Y174 HydrophobicContact CG1-CG 3.91Å; F124-Y174 HydrophobicContact CE1-CE1 4.41Å; L126-Y174 HydrophobicContact CB-CE1 4.04Å; L166-Y174 HydrophobicContact CD2-CD2 4.03Å; L166-Y174 HydrophobicContact CD2-CE2 3.52Å; E169-Y174 PolarHBondContact OE2-OH 3.35Å; I172-Y174 HydrophobicContact CB-CE2 4.18Å; I172-Y174 HydrophobicContact CG2-CD2 3.74Å; I172-Y174 HydrophobicContact CG2-CE2 3.45Å; I172-Y174 VanDerWaalsContact CG2-CE2 3.45Å; Y174-R237 PolarHBondContact N-O 3.24Å; Y174-L238 CarbonylContact O-C 3.54Å; Y174-L238 WeakPolarHBondContact O-CA 3.49Å; Y174-R239 PolarHBondContact O-N 3Å
175	D	97.3	Very high	87.2	Confident	17 Å²	17	44.2 Å²	44.2	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-40.8	176.4	-66.5	-99.6	0	0	0	111.7	I93 R100 R101 R239 W240	I93-D175 HydrophobicContact CD1-CB 4.48Å; I93-D175 HydrophobicContact CG2-CB 4.38Å; R100-D175 WeakPolarHBondContact CA-OD2 3.48Å; R100-D175 WeakPolarHBondContact CB-OD2 3.32Å; R100-D175 WeakPolarHBondContact CD-OD1 3.15Å; R100-D175 IonicContact CZ-OD1 3.09Å; R100-D175 IonicContact NE-OD1 3.55Å; R100-D175 IonicContact NH1-OD1 2.78Å; R100-D175 PolarHBondContact NH1-OD1 3.03Å; R101-D175 PolarHBondContact N-OD2 3.39Å; R101-D175 PolarHBondContact O-N 2.84Å; D175-R239 WeakPolarHBondContact O-CB 3.39Å; D175-W240 PolarHBondContact O-N 3.32Å
176	F	98.1	Very high	87.3	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	157.5	-177.8	64.4	-86.8	0	0	0	113.4	V89 I93 G102 I103 W123 F125 M178 W240	V89-F176 HydrophobicContact CG1-CB 4.21Å; V89-F176 HydrophobicContact CG1-CD1 3.66Å; V89-F176 HydrophobicContact CG1-CD2 3.69Å; V89-F176 HydrophobicContact CG1-CE1 3.87Å; V89-F176 HydrophobicContact CG1-CE2 3.91Å; V89-F176 HydrophobicContact CG1-CG 3.57Å; V89-F176 HydrophobicContact CG1-CZ 3.99Å; I93-F176 HydrophobicContact CD1-CD1 3.86Å; I93-F176 HydrophobicContact CD1-CE1 3.94Å; I93-F176 HydrophobicContact CG2-CB 4.17Å; I93-F176 HydrophobicContact CG2-CD1 4.07Å; G102-F176 CarbonylContact C-O 3.52Å; G102-F176 VanDerWaalsContact CA-CZ 3.42Å; G102-F176 WeakPolarHBondContact CA-O 3.47Å; I103-F176 PolarHBondContact N-O 2.74Å; W123-F176 HydrophobicContact CD2-CE1 4.04Å; W123-F176 HydrophobicContact CD2-CZ 4.13Å; W123-F176 AromaticContact CE3-CE1 3.8Å; W123-F176 HydrophobicContact CE3-CE1 3.8Å; W123-F176 AromaticContact CE3-CZ 3.47Å; W123-F176 HydrophobicContact CE3-CZ 3.47Å; W123-F176 VanDerWaalsContact CE3-CZ 3.47Å; W123-F176 HydrophobicContact CZ3-CE1 4.09Å; W123-F176 AromaticContact CZ3-CZ 3.77Å; W123-F176 HydrophobicContact CZ3-CZ 3.77Å; F125-F176 AromaticContact CE1-CE2 3.75Å; F125-F176 HydrophobicContact CE1-CE2 3.75Å; F125-F176 AromaticContact CE1-CZ 3.88Å; F125-F176 HydrophobicContact CE1-CZ 3.88Å; F125-F176 HydrophobicContact CE2-CZ 4.34Å; F125-F176 AromaticContact CZ-CE2 3.97Å; F125-F176 HydrophobicContact CZ-CE2 3.97Å; F125-F176 AromaticContact CZ-CZ 3.69Å; F125-F176 HydrophobicContact CZ-CZ 3.69Å; F176-M178 HydrophobicContact CD2-CB 4.49Å; F176-M178 HydrophobicContact CD2-CG 4.39Å; F176-M178 HydrophobicContact CD2-SD 4.41Å; F176-M178 HydrophobicContact CE2-CG 4.18Å; F176-M178 HydrophobicContact CE2-SD 3.81Å; F176-W240 CarbonylContact C-O 3.56Å; F176-W240 WeakPolarHBondContact CA-O 3.4Å; F176-W240 HydrophobicContact CB-CB 4.35Å
177	C	98.3	Very high	86.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	154.2	146.4	73.7	0	0	0	0	111.6	I103 I105 L162 L238 W240 S242	I103-C177 HydrophobicContact CB-CB 3.9Å; I103-C177 CarbonylContact O-C 3.21Å; I103-C177 VanDerWaalsContact O-CA 3.24Å; I103-C177 WeakPolarHBondContact O-CA 3.47Å; I105-C177 HydrophobicContact CD1-CB 4.38Å; L162-C177 HydrophobicContact CD2-CB 4.13Å; C177-L238 HydrophobicContact CB-CD2 3.54Å; C177-W240 PolarHBondContact N-O 2.77Å; C177-S242 WeakPolarHBondContact O-CB 3.45Å; C177-S242 PolarHBondContact O-N 2.73Å; C177-S242 PolarHBondContact O-OG 3.04Å
178	M	98.6	Very high	87	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.6	170.9	63.9	-169.1	-55.4	0	0	110.7	Y85 I86 V89 I103 D104 I105 Y113 F125 F176 S242	Y85-M178 HydrophobicContact CD1-CE 3.74Å; Y85-M178 HydrophobicContact CD2-CE 4.12Å; Y85-M178 HydrophobicContact CE1-CB 4.15Å; Y85-M178 HydrophobicContact CE1-CE 3.95Å; Y85-M178 HydrophobicContact CE2-CB 4.29Å; Y85-M178 HydrophobicContact CE2-CE 4.3Å; Y85-M178 HydrophobicContact CG-CE 3.83Å; I86-M178 HydrophobicContact CD1-CE 4.06Å; I86-M178 HydrophobicContact CD1-SD 4.21Å; V89-M178 HydrophobicContact CG2-CE 4.28Å; V89-M178 HydrophobicContact CG2-SD 4.44Å; I103-M178 PolarHBondContact O-N 3.47Å; D104-M178 HydrophobicContact CB-CG 4.42Å; I105-M178 PolarHBondContact N-O 2.81Å; Y113-M178 HydrophobicContact CD1-CE 3.35Å; Y113-M178 HydrophobicContact CD1-SD 4.42Å; Y113-M178 HydrophobicContact CD2-CE 4.12Å; Y113-M178 HydrophobicContact CE1-CE 3.75Å; Y113-M178 HydrophobicContact CE2-CE 4.45Å; Y113-M178 HydrophobicContact CG-CE 3.54Å; Y113-M178 HydrophobicContact CG-SD 4.12Å; F125-M178 HydrophobicContact CE1-SD 4.05Å; F125-M178 HydrophobicContact CZ-SD 4.38Å; F176-M178 HydrophobicContact CD2-CB 4.49Å; F176-M178 HydrophobicContact CD2-CG 4.39Å; F176-M178 HydrophobicContact CD2-SD 4.41Å; F176-M178 HydrophobicContact CE2-CG 4.18Å; F176-M178 HydrophobicContact CE2-SD 3.81Å; M178-S242 WeakPolarHBondContact CA-O 3.34Å
179	C	97.8	Very high	87.4	Confident	1 Å²	1	45 Å²	45	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	142.6	-177.8	-177.7	0	0	0	0	111.7	Y85 I105 I227 C243 M244	Y85-C179 PolarHBondContact OH-N 3.35Å; I105-C179 HydrophobicContact CB-CB 3.99Å; I105-C179 HydrophobicContact CD1-CB 4.31Å; I105-C179 PolarHBondContact O-SG 2.78Å; C179-I227 HydrophobicContact CB-CD1 4.13Å; C179-C243 HydrophobicContact CB-CB 4.44Å; C179-M244 PolarHBondContact O-N 2.83Å
180	N	95.9	Very high	87.5	Confident	20 Å²	20	44.9 Å²	44.9	11%	0.107	24%	0.237	C	C	.	.			trans	-109.7	91.8	163	172	92.4	0	0	0	108	R82 Y113 M244	R82-N180 VanDerWaalsContact NH1-CG 3.33Å; R82-N180 PolarHBondContact NH1-OD1 2.98Å; Y113-N180 HydrophobicContact CE2-CB 4.01Å; N180-M244 HydrophobicContact CB-CE 4.29Å; N180-M244 WeakPolarHBondContact OD1-CE 3.13Å
181	P	91.4	Very high	87.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.			trans	-74.5	154.3	-169.6	32.8	-36.7	0	0	0	111.4	F183 E220 F223 V224 C243 M244	P181-F183 HydrophobicContact CG-CD1 4.47Å; P181-F183 HydrophobicContact CG-CE1 4.39Å; P181-F183 WeakPolarHBondContact O-CD1 3.44Å; P181-F183 WeakPolarHBondContact O-CE1 3.38Å; P181-F183 PolarHBondContact O-N 3.18Å; P181-F183 VanDerWaalsContact O-N 3.16Å; P181-E220 HydrophobicContact CG-CG 4.35Å; P181-F223 HydrophobicContact CB-CD1 3.48Å; P181-F223 VanDerWaalsContact CB-CD1 3.48Å; P181-F223 HydrophobicContact CB-CE1 3.88Å; P181-F223 HydrophobicContact CB-CG 4.17Å; P181-V224 HydrophobicContact CB-CG2 4.34Å; P181-V224 HydrophobicContact CG-CG2 4.15Å; P181-C243 VanDerWaalsContact CD-SG 3.55Å; P181-M244 WeakPolarHBondContact CD-O 3.09Å; P181-M244 WeakPolarHBondContact CG-O 3.32Å
182	P	86.8	Confident	87.1	Confident	10 Å²	10	40.5 Å²	40.5	7%	0.065	22%	0.22	C	C	.	.			trans	-58.6	117.5	167.9	22.8	-32.5	0	0	0	110.8	E213 A216 E220 F223	P182-E213 WeakPolarHBondContact CA-O 3.47Å; P182-A216 HydrophobicContact CB-CB 4.09Å; P182-A216 HydrophobicContact CG-CB 3.56Å; P182-E220 PolarHBondContact O-N 3.2Å; P182-F223 HydrophobicContact CG-CD2 3.56Å; P182-F223 HydrophobicContact CG-CE2 3.72Å; P182-F223 HydrophobicContact CG-CG 4.1Å; P182-F223 HydrophobicContact CG-CZ 4.38Å
183	F	81.9	Confident	86.4	Confident	24 Å²	24	42.9 Å²	42.9	11%	0.105	24%	0.237	C	C	.	.			trans	-73.9	-35.6	-167.6	-61.2	-38.1	0	0	0	113.8	P181 I214 E220 M244 K247	P181-F183 HydrophobicContact CG-CD1 4.47Å; P181-F183 HydrophobicContact CG-CE1 4.39Å; P181-F183 WeakPolarHBondContact O-CD1 3.44Å; P181-F183 WeakPolarHBondContact O-CE1 3.38Å; P181-F183 PolarHBondContact O-N 3.18Å; P181-F183 VanDerWaalsContact O-N 3.16Å; F183-I214 PolarHBondContact N-O 2.8Å; F183-E220 WeakPolarHBondContact CD1-OE2 3.5Å; F183-E220 PolarHBondContact O-N 3.43Å; F183-M244 HydrophobicContact CZ-CE 4.36Å; F183-K247 WeakPolarHBondContact O-CE 3.23Å; F183-K247 PolarHBondContact O-NZ 3.43Å
184	F	81.9	Confident	85.3	Confident	44 Å²	44	43.4 Å²	43.4	19%	0.193	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-100.9	141.5	-161.9	-55.7	-63.3	0	0	0	113.7	E189 A190 I214 M215 A216	F184-E189 VanDerWaalsContact CA-OE2 3.31Å; F184-E189 WeakPolarHBondContact CA-OE2 3.45Å; F184-E189 HydrophobicContact CB-CB 4.32Å; F184-E189 HydrophobicContact CD1-CB 4.07Å; F184-E189 HydrophobicContact CD1-CG 3.82Å; F184-A190 HydrophobicContact CB-CB 4.07Å; F184-A190 HydrophobicContact CD2-CB 3.57Å; F184-A190 HydrophobicContact CE2-CB 4.12Å; F184-A190 HydrophobicContact CG-CB 3.81Å; F184-I214 WeakPolarHBondContact CB-O 3.18Å; F184-I214 HydrophobicContact CD2-CB 4.17Å; F184-I214 VanDerWaalsContact CD2-O 3.23Å; F184-I214 WeakPolarHBondContact CD2-O 3.5Å; F184-I214 PolarHBondContact N-O 2.94Å; F184-M215 HydrophobicContact CB-CG 3.82Å; F184-M215 VanDerWaalsContact O-CA 3.25Å; F184-M215 WeakPolarHBondContact O-CA 3.29Å; F184-A216 PolarHBondContact O-N 2.76Å
185	A	80.8	Confident	84.2	Confident	40 Å²	40	45.3 Å²	45.3	33%	0.331	25%	0.254	S	S	.	.	S	Bend	trans	-80.8	-22.2	175.6	0	0	0	0	0	113.2	E189	A185-E189 PolarHBondContact N-OE2 3.01Å
186	N	81.8	Confident	83.1	Confident	73 Å²	73	57.2 Å²	57.2	39%	0.39	30%	0.298	S	S	.	.	S	Bend	trans	-163.4	171.7	-177.5	58.4	61.7	0	0	0	111.9	L188 E189 A190	N186-L188 VanDerWaalsContact C-N 3.33Å; N186-L188 PolarHBondContact O-N 2.78Å; N186-L188 WeakPolarHBondContact OD1-CB 3.42Å; N186-L188 PolarHBondContact OD1-N 2.73Å; N186-L188 VanDerWaalsContact OD1-N 3.15Å; N186-E189 PolarHBondContact O-N 3.06Å; N186-E189 PolarHBondContact OD1-N 3.38Å; N186-A190 PolarHBondContact O-N 2.84Å; N186-A190 VanDerWaalsContact O-N 3.1Å
187	Q	76.8	Confident	82.1	Confident	115 Å²	115	61.4 Å²	61.4	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-68.1	-25.3	-176	-155.2	-166.5	76.7	0	0	113.9	K191 M215	Q187-K191 WeakPolarHBondContact O-CB 3.49Å; Q187-K191 VanDerWaalsContact O-CG 3.29Å; Q187-K191 WeakPolarHBondContact O-CG 3.25Å; Q187-K191 PolarHBondContact O-N 3.43Å; Q187-M215 HydrophobicContact CB-SD 4.32Å
188	L	77.9	Confident	81	Confident	107 Å²	107	67.2 Å²	67.2	56%	0.56	36%	0.361	S	S	*	.	H	α-helix	trans	-68.3	-42.5	174.1	-78	79.3	0	0	0	110.6	N186 K191 G192 V193	N186-L188 VanDerWaalsContact C-N 3.33Å; N186-L188 PolarHBondContact O-N 2.78Å; N186-L188 WeakPolarHBondContact OD1-CB 3.42Å; N186-L188 PolarHBondContact OD1-N 2.73Å; N186-L188 VanDerWaalsContact OD1-N 3.15Å; L188-K191 PolarHBondContact O-N 3.15Å; L188-G192 PolarHBondContact O-N 3.19Å; L188-V193 HydrophobicContact CB-CG2 4.43Å
189	E	79.5	Confident	80.1	Confident	47 Å²	47	77.7 Å²	77.7	22%	0.22	40%	0.401	C	S	.	.	H	α-helix	trans	-65.2	-41.2	176.1	-155.9	-170.9	-162.1	0	0	111.4	F184 A185 N186 K191 G192 K247	F184-E189 VanDerWaalsContact CA-OE2 3.31Å; F184-E189 WeakPolarHBondContact CA-OE2 3.45Å; F184-E189 HydrophobicContact CB-CB 4.32Å; F184-E189 HydrophobicContact CD1-CB 4.07Å; F184-E189 HydrophobicContact CD1-CG 3.82Å; A185-E189 PolarHBondContact N-OE2 3.01Å; N186-E189 PolarHBondContact O-N 3.06Å; N186-E189 PolarHBondContact OD1-N 3.38Å; E189-K191 VanDerWaalsContact C-N 3.32Å; E189-K191 PolarHBondContact O-N 2.94Å; E189-G192 WeakPolarHBondContact O-CA 3.24Å; E189-G192 PolarHBondContact O-N 3.46Å; E189-K247 VanDerWaalsContact OE1-CE 3.28Å; E189-K247 WeakPolarHBondContact OE1-CE 3.49Å; E189-K247 IonicContact OE1-NZ 2.67Å; E189-K247 PolarHBondContact OE1-NZ 3.32Å; E189-K247 IonicContact OE2-NZ 2.73Å; E189-K247 PolarHBondContact OE2-NZ 2.98Å
190	A	78.5	Confident	79.1	Confident	25 Å²	25	85.4 Å²	85.4	21%	0.207	43%	0.43	C	S	.	.	H	α-helix	trans	-62.2	-34.7	175.3	0	0	0	0	0	113.4	F184 N186 G192 I214 M215	F184-A190 HydrophobicContact CB-CB 4.07Å; F184-A190 HydrophobicContact CD2-CB 3.57Å; F184-A190 HydrophobicContact CE2-CB 4.12Å; F184-A190 HydrophobicContact CG-CB 3.81Å; N186-A190 PolarHBondContact O-N 2.84Å; N186-A190 VanDerWaalsContact O-N 3.1Å; A190-G192 PolarHBondContact O-N 3.44Å; A190-I214 HydrophobicContact CB-CD1 4.38Å; A190-M215 HydrophobicContact CB-SD 4.34Å
191	K	77	Confident	78.3	Confident	137 Å²	137	89.5 Å²	89.5	60%	0.596	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.6	172.1	-73.8	170.8	-178.2	171.4	0	113.5	Q187 L188 E189 V193	Q187-K191 WeakPolarHBondContact O-CB 3.49Å; Q187-K191 VanDerWaalsContact O-CG 3.29Å; Q187-K191 WeakPolarHBondContact O-CG 3.25Å; Q187-K191 PolarHBondContact O-N 3.43Å; L188-K191 PolarHBondContact O-N 3.15Å; E189-K191 VanDerWaalsContact C-N 3.32Å; E189-K191 PolarHBondContact O-N 2.94Å; K191-V193 HydrophobicContact CB-CG1 4.2Å; K191-V193 PolarHBondContact O-N 2.86Å
192	G	72.1	Confident	77.7	Confident	48 Å²	48	94 Å²	94	50%	0.495	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	10.4	175.2	0	0	0	0	0	115.6	L188 E189 A190 N194	L188-G192 PolarHBondContact O-N 3.19Å; E189-G192 WeakPolarHBondContact O-CA 3.24Å; E189-G192 PolarHBondContact O-N 3.46Å; A190-G192 PolarHBondContact O-N 3.44Å; G192-N194 PolarHBondContact O-N 3.46Å
193	V	74.3	Confident	77.5	Confident	96 Å²	96	98 Å²	98	58%	0.582	51%	0.512	S	S	*	.			trans	-70	-11.9	-174.5	-65.5	0	0	0	0	114.1	L188 K191 S195	L188-V193 HydrophobicContact CB-CG2 4.43Å; K191-V193 HydrophobicContact CB-CG1 4.2Å; K191-V193 PolarHBondContact O-N 2.86Å; V193-S195 PolarHBondContact O-N 3.21Å
194	N	68.8	Low	77.5	Confident	105 Å²	105	100.1 Å²	100.1	56%	0.561	53%	0.53	S	S	*	.			trans	-73.4	61.6	-178.5	-62.1	-10.5	0	0	0	112.1	G192	G192-N194 PolarHBondContact O-N 3.46Å
195	S	72.8	Confident	77.5	Confident	41 Å²	41	100.9 Å²	100.9	29%	0.287	54%	0.541	S	S	.	.			trans	-118	128.1	-179.5	-166.4	0	0	0	0	112.4	V193 N197 R200	V193-S195 PolarHBondContact O-N 3.21Å; S195-N197 PolarHBondContact O-N 2.9Å; S195-N197 PolarHBondContact OG-O 2.98Å; S195-R200 WeakPolarHBondContact OG-CD 3.38Å
196	R	75.1	Confident	77.7	Confident	267 Å²	267	101.6 Å²	101.6	100%	1.008	54%	0.541	S	S	*	.	S	Bend	trans	-61	-8.1	172.3	-65.7	-175	178.6	-175.5	-2	114.6
197	N	76.5	Confident	77.8	Confident	90 Å²	90	101.8 Å²	101.8	48%	0.481	54%	0.542	S	S	.	.			trans	-135.3	114.8	175.2	-179.9	-6.4	0	0	0	108.7	S195 R199 R200	S195-N197 PolarHBondContact O-N 2.9Å; S195-N197 PolarHBondContact OG-O 2.98Å; N197-R199 PolarHBondContact O-N 2.95Å; N197-R199 WeakPolarHBondContact OD1-CB 3.35Å; N197-R199 PolarHBondContact OD1-N 3.41Å; N197-R200 VanDerWaalsContact O-CB 3.28Å; N197-R200 WeakPolarHBondContact O-CB 3.42Å; N197-R200 PolarHBondContact O-N 3.3Å; N197-R200 VanDerWaalsContact O-N 3.11Å
198	S	74.5	Confident	78.2	Confident	122 Å²	122	97.2 Å²	97.2	85%	0.853	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.8	178.8	52.4	0	0	0	0	113.6	R200	S198-R200 VanDerWaalsContact C-N 3.25Å; S198-R200 PolarHBondContact O-N 3.29Å
199	R	79.4	Confident	78.2	Confident	219 Å²	219	92.7 Å²	92.7	83%	0.826	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	10.6	176.1	-45.4	-172.8	-159.1	179.9	6.1	113.4	N197 P201	N197-R199 PolarHBondContact O-N 2.95Å; N197-R199 WeakPolarHBondContact OD1-CB 3.35Å; N197-R199 PolarHBondContact OD1-N 3.41Å; R199-P201 WeakPolarHBondContact O-CD 3.44Å
200	R	77.6	Confident	78.2	Confident	164 Å²	164	91 Å²	91	62%	0.619	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-61.5	124	176.1	177.4	177.1	178.4	-180	2.7	109.3	S195 N197 S198	S195-R200 WeakPolarHBondContact OG-CD 3.38Å; N197-R200 VanDerWaalsContact O-CB 3.28Å; N197-R200 WeakPolarHBondContact O-CB 3.42Å; N197-R200 PolarHBondContact O-N 3.3Å; N197-R200 VanDerWaalsContact O-N 3.11Å; S198-R200 VanDerWaalsContact C-N 3.25Å; S198-R200 PolarHBondContact O-N 3.29Å
201	P	78.3	Confident	78.3	Confident	106 Å²	106	95 Å²	95	69%	0.688	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-58.6	140.5	178	-26.3	35.4	0	0	0	112.1	R199	R199-P201 WeakPolarHBondContact O-CD 3.44Å
202	P	80.3	Confident	78.5	Confident	94 Å²	94	90.5 Å²	90.5	61%	0.61	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.4	161	176.1	27.7	-35.3	0	0	0	111.3
203	P	81.7	Confident	79	Confident	93 Å²	93	89.5 Å²	89.5	60%	0.604	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-58	148.4	175	26	-34.9	0	0	0	111.6	K47 S205	K47-P203 WeakPolarHBondContact CE-O 3.27Å; P203-S205 PolarHBondContact O-N 2.97Å
204	S	82	Confident	79.5	Confident	70 Å²	70	86.1 Å²	86.1	49%	0.49	46%	0.463	S	S	.	.	S	Bend	trans	-83.8	6.7	173	57.8	0	0	0	0	113	F46	F46-S204 VanDerWaalsContact CB-O 3.27Å; F46-S204 WeakPolarHBondContact CB-O 3.45Å
205	S	81.5	Confident	80.4	Confident	59 Å²	59	83.6 Å²	83.6	41%	0.413	45%	0.448	S	S	.	.	S	Bend	trans	-134.1	144.6	-179.3	57.9	0	0	0	0	110.4	F46 P203	F46-S205 VanDerWaalsContact O-CA 3.31Å; F46-S205 WeakPolarHBondContact O-CA 3.34Å; P203-S205 PolarHBondContact O-N 2.97Å
206	V	85.6	Confident	80.9	Confident	56 Å²	56	82.7 Å²	82.7	34%	0.339	44%	0.443	S	S	.	.			trans	-73.5	160.2	167.4	61.7	0	0	0	0	111.3	F46 K47 P49 T208	F46-V206 PolarHBondContact O-N 3.06Å; K47-V206 WeakPolarHBondContact O-CB 3.43Å; P49-V206 HydrophobicContact CG-CG1 4.24Å; P49-V206 HydrophobicContact CG-CG2 4.26Å; V206-T208 HydrophobicContact CG1-CG2 4.04Å; V206-T208 HydrophobicContact CG2-CG2 4.09Å
207	N	84.1	Confident	81.2	Confident	76 Å²	76	78.8 Å²	78.8	41%	0.406	44%	0.437	S	S	.	.			trans	-118	120.4	165	179	24.8	0	0	0	107.8	G209	N207-G209 PolarHBondContact OD1-N 3.33Å
208	T	84	Confident	81.6	Confident	20 Å²	20	76.4 Å²	76.4	12%	0.123	43%	0.433	C	S	.	.			trans	-110.8	-1.1	-175.8	59.1	0	0	0	0	113.2	P49 L72 E73 R74 I76 V206	P49-T208 HydrophobicContact CB-CG2 3.87Å; P49-T208 HydrophobicContact CG-CG2 3.91Å; L72-T208 WeakPolarHBondContact O-CB 3.49Å; E73-T208 CarbonylContact C-O 3.59Å; R74-T208 CarbonylContact C-O 3.59Å; R74-T208 WeakPolarHBondContact CA-O 3.16Å; R74-T208 PolarHBondContact N-O 2.95Å; R74-T208 WeakPolarHBondContact O-CB 3.37Å; R74-T208 PolarHBondContact O-OG1 3.38Å; I76-T208 HydrophobicContact CD1-CG2 4.03Å; I76-T208 PolarHBondContact N-OG1 2.89Å; V206-T208 HydrophobicContact CG1-CG2 4.04Å; V206-T208 HydrophobicContact CG2-CG2 4.09Å
209	G	78.3	Confident	82.3	Confident	12 Å²	12	70.6 Å²	70.6	12%	0.124	39%	0.392	C	S	.	.			trans	-64.4	139.1	-173.2	0	0	0	0	0	113.7	N207 E213	N207-G209 PolarHBondContact OD1-N 3.33Å; G209-E213 VanDerWaalsContact CA-OE2 3.28Å; G209-E213 WeakPolarHBondContact CA-OE2 3.49Å
210	G	79.3	Confident	82.9	Confident	11 Å²	11	60.1 Å²	60.1	11%	0.113	35%	0.353	C	S	.	.			trans	-62.2	162.1	172.2	0	0	0	0	0	111.5	T212 E213 I214	G210-T212 PolarHBondContact O-N 3.27Å; G210-T212 VanDerWaalsContact O-N 3.13Å; G210-E213 PolarHBondContact N-OE2 2.91Å; G210-E213 WeakPolarHBondContact O-CB 3.46Å; G210-E213 PolarHBondContact O-N 3.45Å; G210-I214 PolarHBondContact O-N 2.89Å; G210-I214 VanDerWaalsContact O-N 3.13Å
211	V	81.3	Confident	83.7	Confident	108 Å²	108	54.7 Å²	54.7	66%	0.655	34%	0.336	S	S	*	.	H	α-helix	trans	-53.3	-41.8	-172.1	-178.1	0	0	0	0	112.1	I214 M215	V211-I214 PolarHBondContact O-N 2.87Å; V211-M215 HydrophobicContact CG1-CB 4.48Å; V211-M215 WeakPolarHBondContact O-CA 3.17Å; V211-M215 WeakPolarHBondContact O-CB 3.42Å; V211-M215 PolarHBondContact O-N 2.91Å
212	T	80.9	Confident	84.4	Confident	44 Å²	44	53 Å²	53	27%	0.27	32%	0.319	S	S	.	.	H	α-helix	trans	-68.7	-29.1	176.9	42.2	0	0	0	0	114.5	G210	G210-T212 PolarHBondContact O-N 3.27Å; G210-T212 VanDerWaalsContact O-N 3.13Å
213	E	82.8	Confident	85.1	Confident	26 Å²	26	49.8 Å²	49.8	12%	0.121	30%	0.295	C	S	.	.	H	α-helix	trans	-80.3	-23.1	177.2	-61.3	179.8	106.4	0	0	112.8	R74 L75 P182 G209 G210	R74-E213 WeakPolarHBondContact CA-OE2 3.37Å; R74-E213 WeakPolarHBondContact CB-OE2 3.32Å; R74-E213 WeakPolarHBondContact CD-OE2 3.31Å; L75-E213 HydrophobicContact CB-CB 4.48Å; L75-E213 VanDerWaalsContact CB-OE1 3.3Å; L75-E213 WeakPolarHBondContact CB-OE1 3.37Å; L75-E213 PolarHBondContact N-OE1 3.25Å; L75-E213 PolarHBondContact N-OE2 3.12Å; P182-E213 WeakPolarHBondContact CA-O 3.47Å; G209-E213 VanDerWaalsContact CA-OE2 3.28Å; G209-E213 WeakPolarHBondContact CA-OE2 3.49Å; G210-E213 PolarHBondContact N-OE2 2.91Å; G210-E213 WeakPolarHBondContact O-CB 3.46Å; G210-E213 PolarHBondContact O-N 3.45Å
214	I	85.3	Confident	85.8	Confident	25 Å²	25	45.3 Å²	45.3	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-114	-24.2	-173.2	72.4	168.8	0	0	0	113.9	F183 F184 A190 G210 V211	F183-I214 PolarHBondContact N-O 2.8Å; F184-I214 WeakPolarHBondContact CB-O 3.18Å; F184-I214 HydrophobicContact CD2-CB 4.17Å; F184-I214 VanDerWaalsContact CD2-O 3.23Å; F184-I214 WeakPolarHBondContact CD2-O 3.5Å; F184-I214 PolarHBondContact N-O 2.94Å; A190-I214 HydrophobicContact CB-CD1 4.38Å; G210-I214 PolarHBondContact O-N 2.89Å; G210-I214 VanDerWaalsContact O-N 3.13Å; V211-I214 PolarHBondContact O-N 2.87Å
215	M	86.4	Confident	86.5	Confident	52 Å²	52	45.2 Å²	45.2	26%	0.256	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-130.4	140.9	-174.2	-83.1	170.4	46.2	0	0	113.3	F184 Q187 A190 V211	F184-M215 HydrophobicContact CB-CG 3.82Å; F184-M215 VanDerWaalsContact O-CA 3.25Å; F184-M215 WeakPolarHBondContact O-CA 3.29Å; Q187-M215 HydrophobicContact CB-SD 4.32Å; A190-M215 HydrophobicContact CB-SD 4.34Å; V211-M215 HydrophobicContact CG1-CB 4.48Å; V211-M215 WeakPolarHBondContact O-CA 3.17Å; V211-M215 WeakPolarHBondContact O-CB 3.42Å; V211-M215 PolarHBondContact O-N 2.91Å
216	A	83.8	Confident	87.1	Confident	22 Å²	22	46.8 Å²	46.8	18%	0.182	25%	0.254	C	S	.	.			trans	-144.9	160.9	169.6	0	0	0	0	0	110.2	P182 F184 G218 G219 F223	P182-A216 HydrophobicContact CB-CB 4.09Å; P182-A216 HydrophobicContact CG-CB 3.56Å; F184-A216 PolarHBondContact O-N 2.76Å; A216-G218 PolarHBondContact O-N 3.14Å; A216-G219 WeakPolarHBondContact O-CA 3.44Å; A216-G219 PolarHBondContact O-N 2.92Å; A216-F223 HydrophobicContact CB-CD2 4.04Å
217	E	82.3	Confident	87.6	Confident	186 Å²	186	44.1 Å²	44.1	87%	0.869	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	128.5	170.5	-172.6	171.6	-165.8	0	0	110.3	G219	E217-G219 PolarHBondContact O-N 2.91Å
218	G	83.3	Confident	88.2	Confident	39 Å²	39	40.6 Å²	40.6	40%	0.402	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	-4.6	-169.9	0	0	0	0	0	115.6	A216	A216-G218 PolarHBondContact O-N 3.14Å
219	G	90.4	Very high	88.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	61.5	-154.4	-177	0	0	0	0	0	113.6	A216 E217 L221 E222 F223	A216-G219 WeakPolarHBondContact O-CA 3.44Å; A216-G219 PolarHBondContact O-N 2.92Å; E217-G219 PolarHBondContact O-N 2.91Å; G219-L221 PolarHBondContact O-N 3.06Å; G219-E222 PolarHBondContact O-N 3.25Å; G219-F223 WeakPolarHBondContact O-CB 3.33Å; G219-F223 PolarHBondContact O-N 2.81Å
220	E	92.1	Very high	89.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-45.5	-39.5	-179.3	-179.2	172	104.4	0	0	114.8	P181 P182 F183 V224 L245 G246 K247 S250	P181-E220 HydrophobicContact CG-CG 4.35Å; P182-E220 PolarHBondContact O-N 3.2Å; F183-E220 WeakPolarHBondContact CD1-OE2 3.5Å; F183-E220 PolarHBondContact O-N 3.43Å; E220-V224 VanDerWaalsContact O-CG2 3.29Å; E220-V224 WeakPolarHBondContact O-CG2 3.15Å; E220-V224 PolarHBondContact O-N 2.77Å; E220-L245 HydrophobicContact CG-CD2 3.88Å; E220-G246 VanDerWaalsContact OE2-CA 3.29Å; E220-G246 WeakPolarHBondContact OE2-CA 3.48Å; E220-G246 PolarHBondContact OE2-N 2.67Å; E220-K247 PolarHBondContact OE1-N 3.21Å; E220-K247 VanDerWaalsContact OE1-N 3.13Å; E220-S250 WeakPolarHBondContact OE1-CB 3.05Å; E220-S250 PolarHBondContact OE1-OG 3.34Å
221	L	93.7	Very high	90.4	Very high	49 Å²	49	44.7 Å²	44.7	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-67.9	-51	-173.8	179.3	59.6	0	0	0	111.8	G219 K225 P253 L254	G219-L221 PolarHBondContact O-N 3.06Å; L221-K225 WeakPolarHBondContact O-CG 3.43Å; L221-K225 PolarHBondContact O-N 3.27Å; L221-P253 HydrophobicContact CD1-CB 3.88Å; L221-L254 HydrophobicContact CD1-CD2 3.82Å; L221-L254 HydrophobicContact CD1-CG 3.77Å
222	E	94.1	Very high	91.1	Very high	72 Å²	72	41.2 Å²	41.2	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-75.8	-30.5	179.9	-53.6	-50.8	125.2	0	0	111.5	G219 K225 R226	G219-E222 PolarHBondContact O-N 3.25Å; E222-K225 PolarHBondContact O-N 3.05Å; E222-K225 IonicContact OE1-NZ 3.52Å; E222-K225 PolarHBondContact OE1-NZ 3.39Å; E222-K225 WeakPolarHBondContact OE2-CD 3.49Å; E222-K225 IonicContact OE2-NZ 2.89Å; E222-K225 PolarHBondContact OE2-NZ 3.31Å; E222-R226 WeakPolarHBondContact O-CG 3.15Å; E222-R226 PolarHBondContact O-N 2.69Å
223	F	94.4	Very high	91.7	Very high	25 Å²	25	44.6 Å²	44.6	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-46.7	171.8	-166.4	-81	0	0	0	111.8	L161 P181 P182 A216 G219 R226 I227	L161-F223 HydrophobicContact CD2-CE1 4.26Å; L161-F223 HydrophobicContact CD2-CE2 4.18Å; L161-F223 HydrophobicContact CD2-CZ 3.68Å; P181-F223 HydrophobicContact CB-CD1 3.48Å; P181-F223 VanDerWaalsContact CB-CD1 3.48Å; P181-F223 HydrophobicContact CB-CE1 3.88Å; P181-F223 HydrophobicContact CB-CG 4.17Å; P182-F223 HydrophobicContact CG-CD2 3.56Å; P182-F223 HydrophobicContact CG-CE2 3.72Å; P182-F223 HydrophobicContact CG-CG 4.1Å; P182-F223 HydrophobicContact CG-CZ 4.38Å; A216-F223 HydrophobicContact CB-CD2 4.04Å; G219-F223 WeakPolarHBondContact O-CB 3.33Å; G219-F223 PolarHBondContact O-N 2.81Å; F223-R226 WeakPolarHBondContact O-CB 3.27Å; F223-R226 PolarHBondContact O-N 3.31Å; F223-I227 HydrophobicContact CD1-CD1 4.16Å; F223-I227 HydrophobicContact CE1-CD1 4.04Å; F223-I227 HydrophobicContact CE1-CG1 4.46Å; F223-I227 PolarHBondContact O-N 3.4Å
224	V	96.6	Very high	92.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-73.4	-30.5	178.8	-177.3	0	0	0	0	112	P181 E220 R226 I227 I228 C243 L245 L254 W283	P181-V224 HydrophobicContact CB-CG2 4.34Å; P181-V224 HydrophobicContact CG-CG2 4.15Å; E220-V224 VanDerWaalsContact O-CG2 3.29Å; E220-V224 WeakPolarHBondContact O-CG2 3.15Å; E220-V224 PolarHBondContact O-N 2.77Å; V224-R226 VanDerWaalsContact C-N 3.3Å; V224-R226 PolarHBondContact O-N 2.73Å; V224-I227 WeakPolarHBondContact O-CB 3.48Å; V224-I227 PolarHBondContact O-N 3.33Å; V224-I227 VanDerWaalsContact O-N 3.14Å; V224-I228 WeakPolarHBondContact O-CG1 3.4Å; V224-I228 PolarHBondContact O-N 3.02Å; V224-C243 HydrophobicContact CG1-CB 4.12Å; V224-C243 HydrophobicContact CG2-CB 4.18Å; V224-C243 WeakPolarHBondContact CG2-SG 3.48Å; V224-L245 HydrophobicContact CG2-CD2 3.99Å; V224-L254 HydrophobicContact CB-CD1 3.89Å; V224-L254 HydrophobicContact CB-CD2 3.87Å; V224-L254 HydrophobicContact CG1-CD1 3.85Å; V224-L254 HydrophobicContact CG1-CD2 3.89Å; V224-L254 HydrophobicContact CG1-CG 4.47Å; V224-L254 HydrophobicContact CG2-CD1 4.45Å; V224-W283 HydrophobicContact CG1-CH2 4.33Å
225	K	96.1	Very high	92.8	Very high	67 Å²	67	48.1 Å²	48.1	29%	0.291	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-37.9	167.5	-81.3	165.1	157.2	-177.9	0	113	L221 E222 I228 H229 L254	L221-K225 WeakPolarHBondContact O-CG 3.43Å; L221-K225 PolarHBondContact O-N 3.27Å; E222-K225 PolarHBondContact O-N 3.05Å; E222-K225 IonicContact OE1-NZ 3.52Å; E222-K225 PolarHBondContact OE1-NZ 3.39Å; E222-K225 WeakPolarHBondContact OE2-CD 3.49Å; E222-K225 IonicContact OE2-NZ 2.89Å; E222-K225 PolarHBondContact OE2-NZ 3.31Å; K225-I228 WeakPolarHBondContact O-CB 3.16Å; K225-I228 PolarHBondContact O-N 3.37Å; K225-H229 PolarHBondContact O-N 3.15Å; K225-L254 HydrophobicContact CG-CD2 4.18Å
226	R	94.2	Very high	93.2	Very high	92 Å²	92	49.9 Å²	49.9	35%	0.347	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-42.2	172.9	-69.7	168.4	61.4	-159.6	-0.1	111.6	Q158 K159 L161 E222 F223 V224 I228 H229 D230	Q158-R226 PolarHBondContact O-NH2 3.37Å; K159-R226 VanDerWaalsContact C-NH2 3.3Å; K159-R226 PolarHBondContact O-NH2 3.16Å; L161-R226 HydrophobicContact CD1-CB 3.46Å; L161-R226 VanDerWaalsContact CD1-CB 3.46Å; E222-R226 WeakPolarHBondContact O-CG 3.15Å; E222-R226 PolarHBondContact O-N 2.69Å; F223-R226 WeakPolarHBondContact O-CB 3.27Å; F223-R226 PolarHBondContact O-N 3.31Å; V224-R226 VanDerWaalsContact C-N 3.3Å; V224-R226 PolarHBondContact O-N 2.73Å; R226-I228 VanDerWaalsContact C-N 3.33Å; R226-I228 PolarHBondContact O-N 3.1Å; R226-H229 PolarHBondContact O-N 3.36Å; R226-D230 PolarHBondContact O-N 2.98Å
227	I	96	Very high	93.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-40.3	173.9	-52.8	172.1	0	0	0	111	I105 L161 L162 C179 F223 V224 S231 C243 W283	I105-I227 HydrophobicContact CD1-CD1 4.42Å; I105-I227 HydrophobicContact CD1-CG2 4.43Å; L161-I227 HydrophobicContact CD1-CG1 4.01Å; L162-I227 HydrophobicContact CD1-CG2 4.23Å; C179-I227 HydrophobicContact CB-CD1 4.13Å; F223-I227 HydrophobicContact CD1-CD1 4.16Å; F223-I227 HydrophobicContact CE1-CD1 4.04Å; F223-I227 HydrophobicContact CE1-CG1 4.46Å; F223-I227 PolarHBondContact O-N 3.4Å; V224-I227 WeakPolarHBondContact O-CB 3.48Å; V224-I227 PolarHBondContact O-N 3.33Å; V224-I227 VanDerWaalsContact O-N 3.14Å; I227-S231 WeakPolarHBondContact O-CB 3.27Å; I227-S231 PolarHBondContact O-N 2.99Å; I227-C243 HydrophobicContact CD1-CB 4.28Å; I227-W283 HydrophobicContact CB-CH2 4.37Å; I227-W283 HydrophobicContact CG2-CH2 3.93Å; I227-W283 HydrophobicContact CG2-CZ2 3.98Å
228	I	97.1	Very high	94.3	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-46.4	174.3	-66	168	0	0	0	110.2	V224 K225 R226 S231 L232 L254 L258 W283	V224-I228 WeakPolarHBondContact O-CG1 3.4Å; V224-I228 PolarHBondContact O-N 3.02Å; K225-I228 WeakPolarHBondContact O-CB 3.16Å; K225-I228 PolarHBondContact O-N 3.37Å; R226-I228 VanDerWaalsContact C-N 3.33Å; R226-I228 PolarHBondContact O-N 3.1Å; I228-S231 WeakPolarHBondContact O-CA 3.47Å; I228-S231 WeakPolarHBondContact O-CB 3.41Å; I228-S231 PolarHBondContact O-N 3.03Å; I228-S231 VanDerWaalsContact O-N 3.11Å; I228-S231 PolarHBondContact O-OG 3.08Å; I228-L232 HydrophobicContact CG2-CD1 4.38Å; I228-L232 WeakPolarHBondContact O-CG 2.98Å; I228-L232 PolarHBondContact O-N 2.93Å; I228-L254 HydrophobicContact CD1-CD2 3.89Å; I228-L258 HydrophobicContact CD1-CD2 4.08Å; I228-L258 HydrophobicContact CD1-CG 3.99Å; I228-L258 HydrophobicContact CG1-CD2 3.94Å; I228-L258 HydrophobicContact CG1-CG 4.4Å; I228-L258 HydrophobicContact CG2-CD2 3.96Å; I228-W283 HydrophobicContact CB-CZ2 4.33Å; I228-W283 HydrophobicContact CG1-CH2 3.81Å; I228-W283 HydrophobicContact CG1-CZ2 3.6Å; I228-W283 HydrophobicContact CG1-CZ3 4.49Å
229	H	95.4	Very high	94.9	Very high	106 Å²	106	42.6 Å²	42.6	49%	0.491	19%	0.19	S	C	.	.	H	α-helix	trans	-61.1	-48.2	178.7	-178	-91.4	0	0	0	112.8	K225 R226 S231 L232 Q233	K225-H229 PolarHBondContact O-N 3.15Å; R226-H229 PolarHBondContact O-N 3.36Å; H229-S231 PolarHBondContact O-N 3.12Å; H229-L232 PolarHBondContact O-N 3.37Å; H229-L232 VanDerWaalsContact O-N 3.16Å; H229-Q233 PolarHBondContact CE1-NE2 2.73Å
230	D	94.8	Very high	95.3	Very high	22 Å²	22	42.7 Å²	42.7	12%	0.118	19%	0.19	C	C	.	.	H	α-helix	trans	-55.4	-41.7	171.8	-83.4	34	0	0	0	111	L162 M163 R226 L232 Q233 L234	L162-D230 HydrophobicContact CB-CB 4.23Å; L162-D230 PolarHBondContact N-OD2 3.24Å; M163-D230 PolarHBondContact N-OD2 2.95Å; M163-D230 VanDerWaalsContact N-OD2 3.14Å; R226-D230 PolarHBondContact O-N 2.98Å; D230-L232 VanDerWaalsContact C-N 3.34Å; D230-L232 PolarHBondContact O-N 3.25Å; D230-Q233 PolarHBondContact O-N 2.95Å; D230-L234 WeakPolarHBondContact O-CB 3.26Å; D230-L234 WeakPolarHBondContact O-CG 3.31Å; D230-L234 PolarHBondContact O-N 3.42Å
231	S	96.8	Very high	95.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.4	-30.4	179.6	83.8	0	0	0	0	114	I227 I228 H229 Q233 K235 W283 F285	I227-S231 WeakPolarHBondContact O-CB 3.27Å; I227-S231 PolarHBondContact O-N 2.99Å; I228-S231 WeakPolarHBondContact O-CA 3.47Å; I228-S231 WeakPolarHBondContact O-CB 3.41Å; I228-S231 PolarHBondContact O-N 3.03Å; I228-S231 VanDerWaalsContact O-N 3.11Å; I228-S231 PolarHBondContact O-OG 3.08Å; H229-S231 PolarHBondContact O-N 3.12Å; S231-Q233 PolarHBondContact O-N 3.18Å; S231-K235 WeakPolarHBondContact O-CA 3.09Å; S231-K235 PolarHBondContact O-N 3.03Å; S231-W283 PolarHBondContact OG-NE1 3.04Å; S231-F285 WeakPolarHBondContact O-CE2 3.07Å; S231-F285 WeakPolarHBondContact O-CZ 3.47Å
232	L	96.4	Very high	95.9	Very high	36 Å²	36	40.4 Å²	40.4	19%	0.188	18%	0.178	C	C	.	.	H	α-helix	trans	-69.4	-21.9	176.2	-68	167.7	0	0	0	112.6	I228 H229 D230 K235 Q261 V263 F285	I228-L232 HydrophobicContact CG2-CD1 4.38Å; I228-L232 WeakPolarHBondContact O-CG 2.98Å; I228-L232 PolarHBondContact O-N 2.93Å; H229-L232 PolarHBondContact O-N 3.37Å; H229-L232 VanDerWaalsContact O-N 3.16Å; D230-L232 VanDerWaalsContact C-N 3.34Å; D230-L232 PolarHBondContact O-N 3.25Å; L232-K235 WeakPolarHBondContact O-CE 3.29Å; L232-K235 VanDerWaalsContact O-CG 3.23Å; L232-K235 WeakPolarHBondContact O-CG 3.29Å; L232-Q261 HydrophobicContact CD1-CB 3.91Å; L232-Q261 HydrophobicContact CD1-CG 3.79Å; L232-Q261 HydrophobicContact CD2-CB 3.78Å; L232-Q261 HydrophobicContact CG-CB 4.45Å; L232-V263 HydrophobicContact CD2-CG2 4.12Å; L232-F285 HydrophobicContact CD2-CE1 3.94Å; L232-F285 HydrophobicContact CD2-CZ 3.87Å
233	Q	94.5	Very high	96.1	Very high	114 Å²	114	37 Å²	37	53%	0.533	16%	0.162	S	C	.	.	H	α-helix	trans	-93.9	-42.6	176	-61.5	-178.7	1.5	0	0	111.3	M163 H229 D230 S231	M163-Q233 HydrophobicContact CE-CB 3.22Å; M163-Q233 HydrophobicContact CE-CG 4.32Å; H229-Q233 PolarHBondContact CE1-NE2 2.73Å; D230-Q233 PolarHBondContact O-N 2.95Å; S231-Q233 PolarHBondContact O-N 3.18Å
234	L	94.1	Very high	96.2	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-71.5	-30.4	177.3	-71.7	168.7	0	0	0	113.7	L162 M163 L166 D230 K236 R237 L238 Y241	L162-L234 HydrophobicContact CB-CD1 3.51Å; L162-L234 HydrophobicContact CD1-CD1 4.16Å; L162-L234 HydrophobicContact CG-CD1 4.44Å; M163-L234 HydrophobicContact CE-CD2 3.89Å; M163-L234 HydrophobicContact CE-CG 3.72Å; M163-L234 HydrophobicContact SD-CD2 3.66Å; M163-L234 HydrophobicContact SD-CG 3.93Å; L166-L234 HydrophobicContact CD1-CD1 4.12Å; L166-L234 HydrophobicContact CD1-CD2 4.19Å; D230-L234 WeakPolarHBondContact O-CB 3.26Å; D230-L234 WeakPolarHBondContact O-CG 3.31Å; D230-L234 PolarHBondContact O-N 3.42Å; L234-K236 PolarHBondContact O-N 2.82Å; L234-R237 HydrophobicContact CB-CB 4.44Å; L234-R237 HydrophobicContact CD2-CB 4.39Å; L234-R237 WeakPolarHBondContact O-CB 2.95Å; L234-R237 PolarHBondContact O-N 2.95Å; L234-L238 HydrophobicContact CB-CD1 4.34Å; L234-L238 HydrophobicContact CD1-CD1 4.04Å; L234-Y241 HydrophobicContact CB-CE1 4.44Å; L234-Y241 VanDerWaalsContact CB-OH 3.23Å; L234-Y241 WeakPolarHBondContact CB-OH 3.31Å
235	K	95.5	Very high	96.2	Very high	118 Å²	118	35.8 Å²	35.8	51%	0.513	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	42.5	-105.6	179.6	-58.2	-175.6	-175.4	-179.8	0	113.1	S231 L232 R237 Y241 F285	S231-K235 WeakPolarHBondContact O-CA 3.09Å; S231-K235 PolarHBondContact O-N 3.03Å; L232-K235 WeakPolarHBondContact O-CE 3.29Å; L232-K235 VanDerWaalsContact O-CG 3.23Å; L232-K235 WeakPolarHBondContact O-CG 3.29Å; K235-R237 PolarHBondContact O-N 3.11Å; K235-Y241 PolarHBondContact N-OH 2.82Å; K235-Y241 WeakPolarHBondContact O-CE2 3.02Å; K235-Y241 PolarHBondContact O-OH 3.35Å; K235-F285 HydrophobicContact CB-CB 4.45Å; K235-F285 HydrophobicContact CB-CD2 4.44Å; K235-F285 HydrophobicContact CB-CG 4.24Å; K235-F285 HydrophobicContact CG-CD1 4.49Å; K235-F285 WeakPolarHBondContact O-CD2 3.43Å
236	K	95.4	Very high	96	Very high	89 Å²	89	33.2 Å²	33.2	39%	0.387	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-84	3.8	-175.8	-69.1	-173.8	174	-175.2	0	114.3	L234 L238 F285 Y286 D287	L234-K236 PolarHBondContact O-N 2.82Å; K236-L238 PolarHBondContact O-N 2.86Å; K236-F285 WeakPolarHBondContact CE-O 3.46Å; K236-F285 HydrophobicContact CG-CB 4.19Å; K236-Y286 HydrophobicContact CB-CD2 4.29Å; K236-Y286 HydrophobicContact CB-CE1 4.37Å; K236-Y286 HydrophobicContact CB-CE2 3.64Å; K236-Y286 HydrophobicContact CD-CD1 4.11Å; K236-Y286 HydrophobicContact CD-CE1 4.07Å; K236-Y286 HydrophobicContact CD-CG 4.4Å; K236-Y286 HydrophobicContact CG-CD1 4.41Å; K236-Y286 HydrophobicContact CG-CD2 3.98Å; K236-Y286 HydrophobicContact CG-CE1 4.3Å; K236-Y286 HydrophobicContact CG-CE2 3.84Å; K236-Y286 HydrophobicContact CG-CG 4.29Å; K236-Y286 WeakPolarHBondContact O-CE2 3.43Å; K236-Y286 PolarHBondContact O-OH 2.71Å; K236-D287 IonicContact NZ-OD2 2.97Å; K236-D287 PolarHBondContact NZ-OD2 2.95Å
237	R	94.4	Very high	95.8	Very high	54 Å²	54	30.7 Å²	30.7	20%	0.204	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-67	-20.8	169.9	-72.9	-170.5	70.7	-161	1.1	113.5	L166 E169 T170 I173 Y174 L234 K235	L166-R237 PolarHBondContact O-NH1 3.34Å; L166-R237 PolarHBondContact O-NH2 2.85Å; E169-R237 VanDerWaalsContact C-NH2 3.29Å; E169-R237 PolarHBondContact O-NH2 3.07Å; T170-R237 PolarHBondContact O-NE 3.03Å; I173-R237 WeakPolarHBondContact CA-O 3.41Å; Y174-R237 PolarHBondContact N-O 3.24Å; L234-R237 HydrophobicContact CB-CB 4.44Å; L234-R237 HydrophobicContact CD2-CB 4.39Å; L234-R237 WeakPolarHBondContact O-CB 2.95Å; L234-R237 PolarHBondContact O-N 2.95Å; K235-R237 PolarHBondContact O-N 3.11Å
238	L	95.6	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.6	167.3	-65.6	74	0	0	0	108.9	I103 L162 L166 Y174 C177 L234 K236 Y241	I103-L238 HydrophobicContact CD1-CD2 4.19Å; L162-L238 HydrophobicContact CD1-CD2 4.33Å; L162-L238 HydrophobicContact CD2-CD2 4.43Å; L166-L238 HydrophobicContact CD1-CD1 3.86Å; Y174-L238 CarbonylContact O-C 3.54Å; Y174-L238 WeakPolarHBondContact O-CA 3.49Å; C177-L238 HydrophobicContact CB-CD2 3.54Å; L234-L238 HydrophobicContact CB-CD1 4.34Å; L234-L238 HydrophobicContact CD1-CD1 4.04Å; K236-L238 PolarHBondContact O-N 2.86Å; L238-Y241 HydrophobicContact CB-CD1 4.47Å; L238-Y241 HydrophobicContact CB-CD2 4.45Å; L238-Y241 HydrophobicContact CB-CE1 3.97Å; L238-Y241 HydrophobicContact CB-CE2 3.91Å; L238-Y241 HydrophobicContact CD1-CE1 3.84Å; L238-Y241 HydrophobicContact CD2-CD1 3.9Å; L238-Y241 HydrophobicContact CD2-CE1 3.73Å; L238-Y241 HydrophobicContact CG-CE1 4.06Å
239	R	96.1	Very high	95.4	Very high	40 Å²	40	40.8 Å²	40.8	15%	0.151	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-34	176.3	-65.9	-176.4	57.6	76.4	-2.2	112.4	Q96 I173 Y174 D175 S284 Y286 D288	Q96-R239 VanDerWaalsContact CD-NE 3.3Å; I173-R239 HydrophobicContact CG2-CG 4.18Å; Y174-R239 PolarHBondContact O-N 3Å; D175-R239 WeakPolarHBondContact O-CB 3.39Å; R239-S284 VanDerWaalsContact O-CB 3.23Å; R239-S284 WeakPolarHBondContact O-CB 3.41Å; R239-S284 PolarHBondContact O-OG 3.06Å; R239-Y286 HydrophobicContact CB-CD2 4.26Å; R239-Y286 HydrophobicContact CB-CE2 4.19Å; R239-Y286 HydrophobicContact CG-CD2 4.08Å; R239-Y286 HydrophobicContact CG-CE2 3.61Å; R239-D288 IonicContact CZ-OD2 3.49Å; R239-D288 IonicContact NH1-OD2 2.71Å; R239-D288 PolarHBondContact NH1-OD2 2.94Å; R239-D288 VanDerWaalsContact NH1-OD2 3.07Å; R239-D288 IonicContact NH2-OD2 3.54Å; R239-D288 PolarHBondContact NH2-OD2 2.86Å
240	W	98.3	Very high	95.3	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.6	169.1	-77.1	102.4	0	0	0	112.4	L92 D175 F176 C177 T267 A282 W283 V289 V291	L92-W240 HydrophobicContact CB-CD2 4.37Å; L92-W240 HydrophobicContact CB-CG 4.3Å; L92-W240 HydrophobicContact CD2-CD2 3.88Å; L92-W240 HydrophobicContact CD2-CE3 3.88Å; L92-W240 HydrophobicContact CD2-CH2 3.83Å; L92-W240 HydrophobicContact CD2-CZ2 3.8Å; L92-W240 HydrophobicContact CD2-CZ3 3.87Å; L92-W240 PolarHBondContact O-NE1 2.92Å; D175-W240 PolarHBondContact O-N 3.32Å; F176-W240 CarbonylContact C-O 3.56Å; F176-W240 WeakPolarHBondContact CA-O 3.4Å; F176-W240 HydrophobicContact CB-CB 4.35Å; C177-W240 PolarHBondContact N-O 2.77Å; W240-T267 HydrophobicContact CH2-CG2 4.24Å; W240-T267 HydrophobicContact CZ3-CG2 4.26Å; W240-A282 HydrophobicContact CE3-CB 4.05Å; W240-A282 HydrophobicContact CZ3-CB 4.26Å; W240-W283 VanDerWaalsContact CE3-C 3.49Å; W240-V289 HydrophobicContact CH2-CG2 4.33Å; W240-V289 HydrophobicContact CZ2-CB 3.96Å; W240-V289 HydrophobicContact CZ2-CG2 3.8Å; W240-V291 HydrophobicContact CH2-CG1 4.39Å; W240-V291 HydrophobicContact CH2-CG2 4.22Å
241	Y	98.6	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.2	163.8	-57.9	-99.8	0	0	0	107.4	L162 L234 K235 L238 A282 W283 F285	L162-Y241 HydrophobicContact CD1-CD1 3.93Å; L162-Y241 HydrophobicContact CD1-CE1 3.98Å; L234-Y241 HydrophobicContact CB-CE1 4.44Å; L234-Y241 VanDerWaalsContact CB-OH 3.23Å; L234-Y241 WeakPolarHBondContact CB-OH 3.31Å; K235-Y241 PolarHBondContact N-OH 2.82Å; K235-Y241 WeakPolarHBondContact O-CE2 3.02Å; K235-Y241 PolarHBondContact O-OH 3.35Å; L238-Y241 HydrophobicContact CB-CD1 4.47Å; L238-Y241 HydrophobicContact CB-CD2 4.45Å; L238-Y241 HydrophobicContact CB-CE1 3.97Å; L238-Y241 HydrophobicContact CB-CE2 3.91Å; L238-Y241 HydrophobicContact CD1-CE1 3.84Å; L238-Y241 HydrophobicContact CD2-CD1 3.9Å; L238-Y241 HydrophobicContact CD2-CE1 3.73Å; L238-Y241 HydrophobicContact CG-CE1 4.06Å; Y241-A282 CarbonylContact O-C 3.55Å; Y241-A282 WeakPolarHBondContact O-CA 3.25Å; Y241-W283 AromaticContact CD2-NE1 3.89Å; Y241-W283 HydrophobicContact CG-CZ2 4.33Å; Y241-W283 AromaticContact CG-NE1 3.76Å; Y241-W283 PolarHBondContact N-O 2.91Å; Y241-W283 PolarHBondContact O-N 2.66Å; Y241-F285 HydrophobicContact CD2-CD2 4.34Å; Y241-F285 HydrophobicContact CD2-CE2 4.19Å; Y241-F285 AromaticContact CE2-CD2 3.76Å; Y241-F285 HydrophobicContact CE2-CD2 3.76Å; Y241-F285 AromaticContact CE2-CE2 3.79Å; Y241-F285 HydrophobicContact CE2-CE2 3.79Å
242	S	98.6	Very high	95.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.5	176.5	78.3	0	0	0	0	113	Y85 C177 M178 L281	Y85-S242 PolarHBondContact OH-O 2.91Å; Y85-S242 PolarHBondContact OH-OG 3.38Å; C177-S242 WeakPolarHBondContact O-CB 3.45Å; C177-S242 PolarHBondContact O-N 2.73Å; C177-S242 PolarHBondContact O-OG 3.04Å; M178-S242 WeakPolarHBondContact CA-O 3.34Å; S242-L281 CarbonylContact C-O 3.51Å; S242-L281 VanDerWaalsContact CA-O 3.29Å; S242-L281 WeakPolarHBondContact CA-O 3.29Å
243	C	98.3	Very high	95.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.6	175.4	-165	0	0	0	0	111.8	Y85 C179 P181 V224 I227 A280 L281	Y85-C243 VanDerWaalsContact OH-CA 3.27Å; Y85-C243 WeakPolarHBondContact OH-CA 3.39Å; Y85-C243 PolarHBondContact OH-N 3.43Å; C179-C243 HydrophobicContact CB-CB 4.44Å; P181-C243 VanDerWaalsContact CD-SG 3.55Å; V224-C243 HydrophobicContact CG1-CB 4.12Å; V224-C243 HydrophobicContact CG2-CB 4.18Å; V224-C243 WeakPolarHBondContact CG2-SG 3.48Å; I227-C243 HydrophobicContact CD1-CB 4.28Å; C243-A280 WeakPolarHBondContact O-CA 3.41Å; C243-L281 PolarHBondContact N-O 2.78Å; C243-L281 PolarHBondContact O-N 3.38Å
244	M	97.6	Very high	95.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142.6	173.9	-170.3	174.7	60.2	0	0	111.1	L81 Y85 C179 N180 P181 F183 F271 R278 W279	L81-M244 HydrophobicContact CD1-SD 3.81Å; L81-M244 HydrophobicContact CD2-CE 4.31Å; L81-M244 HydrophobicContact CD2-SD 4.33Å; L81-M244 HydrophobicContact CG-SD 4.23Å; Y85-M244 HydrophobicContact CD1-CB 4.04Å; Y85-M244 HydrophobicContact CD1-SD 4.48Å; Y85-M244 HydrophobicContact CE1-CB 3.7Å; C179-M244 PolarHBondContact O-N 2.83Å; N180-M244 HydrophobicContact CB-CE 4.29Å; N180-M244 WeakPolarHBondContact OD1-CE 3.13Å; P181-M244 WeakPolarHBondContact CD-O 3.09Å; P181-M244 WeakPolarHBondContact CG-O 3.32Å; F183-M244 HydrophobicContact CZ-CE 4.36Å; M244-F271 HydrophobicContact CG-CD2 4.22Å; M244-F271 HydrophobicContact CG-CE2 4.11Å; M244-F271 HydrophobicContact SD-CD2 3.87Å; M244-F271 HydrophobicContact SD-CE2 4.05Å; M244-R278 HydrophobicContact CG-CB 4.04Å; M244-R278 HydrophobicContact CG-CG 4.44Å; M244-R278 HydrophobicContact SD-CB 3.9Å; M244-R278 HydrophobicContact SD-CG 3.91Å; M244-W279 CarbonylContact C-O 3.55Å; M244-W279 WeakPolarHBondContact CA-O 3.48Å; M244-W279 VanDerWaalsContact CG-O 3.27Å; M244-W279 WeakPolarHBondContact CG-O 3.28Å
245	L	95.9	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.7	-179.4	-53.2	174.5	0	0	0	110.7	E220 V224 L251 L254 R278 W279 L281	E220-L245 HydrophobicContact CG-CD2 3.88Å; V224-L245 HydrophobicContact CG2-CD2 3.99Å; L245-L251 HydrophobicContact CD1-CB 4.03Å; L245-L251 HydrophobicContact CD1-CD1 4.02Å; L245-L254 HydrophobicContact CD1-CD1 4Å; L245-L254 HydrophobicContact CD2-CD1 3.61Å; L245-L254 HydrophobicContact CG-CD1 4.48Å; L245-R278 WeakPolarHBondContact O-CD 3.35Å; L245-W279 HydrophobicContact CB-CB 4.16Å; L245-W279 PolarHBondContact N-O 3.02Å; L245-W279 PolarHBondContact O-N 3.12Å; L245-L281 HydrophobicContact CD1-CB 4.31Å
246	G	91.6	Very high	95.9	Very high	14 Å²	14	35.8 Å²	35.8	14%	0.144	19%	0.19	C	C	.	.	S	Bend	trans	-66.6	-31.8	169.8	0	0	0	0	0	113.7	E220	E220-G246 VanDerWaalsContact OE2-CA 3.29Å; E220-G246 WeakPolarHBondContact OE2-CA 3.48Å; E220-G246 PolarHBondContact OE2-N 2.67Å
247	K	90.6	Very high	96	Very high	39 Å²	39	33.5 Å²	33.5	17%	0.17	18%	0.18	C	C	.	.			trans	-120.9	130.8	-170.6	-42.8	172.8	-163.5	171.3	0	111.9	F183 E189 E220 C249 S250	F183-K247 WeakPolarHBondContact O-CE 3.23Å; F183-K247 PolarHBondContact O-NZ 3.43Å; E189-K247 VanDerWaalsContact OE1-CE 3.28Å; E189-K247 WeakPolarHBondContact OE1-CE 3.49Å; E189-K247 IonicContact OE1-NZ 2.67Å; E189-K247 PolarHBondContact OE1-NZ 3.32Å; E189-K247 IonicContact OE2-NZ 2.73Å; E189-K247 PolarHBondContact OE2-NZ 2.98Å; E220-K247 PolarHBondContact OE1-N 3.21Å; E220-K247 VanDerWaalsContact OE1-N 3.13Å; K247-C249 PolarHBondContact O-N 2.9Å; K247-S250 PolarHBondContact O-N 3.08Å; K247-S250 PolarHBondContact O-OG 3.47Å
248	K	92.1	Very high	96.2	Very high	120 Å²	120	30.9 Å²	30.9	52%	0.522	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.6	177.6	-165.6	163.1	-172	147.7	0	113.3	E270 W279	K248-E270 IonicContact NZ-OE1 2.6Å; K248-E270 PolarHBondContact NZ-OE1 3.1Å; K248-W279 HydrophobicContact CB-CD2 4.05Å; K248-W279 HydrophobicContact CB-CE3 4.04Å; K248-W279 HydrophobicContact CB-CH2 3.76Å; K248-W279 HydrophobicContact CB-CZ2 3.73Å; K248-W279 HydrophobicContact CB-CZ3 3.9Å; K248-W279 HydrophobicContact CD-CH2 4.41Å; K248-W279 HydrophobicContact CD-CZ2 3.62Å; K248-W279 HydrophobicContact CG-CD2 4.2Å; K248-W279 HydrophobicContact CG-CH2 4.44Å; K248-W279 HydrophobicContact CG-CZ2 3.89Å
249	C	92	Very high	96.3	Very high	94 Å²	94	38.3 Å²	38.3	64%	0.635	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-29.2	178.2	48.2	0	0	0	0	113.6	K247 L251 P253	K247-C249 PolarHBondContact O-N 2.9Å; C249-L251 VanDerWaalsContact C-N 3.27Å; C249-L251 PolarHBondContact O-N 3.27Å; C249-P253 WeakPolarHBondContact O-CD 3.3Å
250	S	94.6	Very high	96.4	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.049	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-30.3	178.7	-45.3	0	0	0	0	112.9	E220 K247 A252 P253 L254	E220-S250 WeakPolarHBondContact OE1-CB 3.05Å; E220-S250 PolarHBondContact OE1-OG 3.34Å; K247-S250 PolarHBondContact O-N 3.08Å; K247-S250 PolarHBondContact O-OG 3.47Å; S250-A252 PolarHBondContact O-N 3.07Å; S250-P253 WeakPolarHBondContact O-CD 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.11Å; S250-L254 WeakPolarHBondContact O-CD1 3.29Å; S250-L254 VanDerWaalsContact O-CG 3.27Å; S250-L254 WeakPolarHBondContact O-CG 3.35Å; S250-L254 PolarHBondContact O-N 3.46Å; S250-L254 VanDerWaalsContact O-N 3.13Å
251	L	95.8	Very high	96.4	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-34	-171.9	179.4	64.1	0	0	0	113.9	L245 C249 K255 H268 W279 L281	L245-L251 HydrophobicContact CD1-CB 4.03Å; L245-L251 HydrophobicContact CD1-CD1 4.02Å; C249-L251 VanDerWaalsContact C-N 3.27Å; C249-L251 PolarHBondContact O-N 3.27Å; L251-K255 HydrophobicContact CD1-CD 3.92Å; L251-K255 HydrophobicContact CD1-CG 4.28Å; L251-K255 HydrophobicContact CG-CD 4.16Å; L251-K255 WeakPolarHBondContact O-CB 3.46Å; L251-K255 VanDerWaalsContact O-CG 3.24Å; L251-K255 WeakPolarHBondContact O-CG 3.46Å; L251-K255 PolarHBondContact O-N 3.27Å; L251-H268 HydrophobicContact CD1-CB 3.92Å; L251-W279 HydrophobicContact CD2-CB 4.47Å; L251-W279 HydrophobicContact CD2-CG 4.29Å; L251-L281 HydrophobicContact CD1-CB 4.41Å; L251-L281 HydrophobicContact CD1-CD1 4.2Å
252	A	96.5	Very high	96.3	Very high	70 Å²	70	49.6 Å²	49.6	58%	0.579	27%	0.267	S	S	*	.	H	α-helix	trans	-75.9	-50.2	-179.3	0	0	0	0	0	112.4	S250 L254 K255 E256	S250-A252 PolarHBondContact O-N 3.07Å; A252-L254 PolarHBondContact O-N 3.26Å; A252-K255 PolarHBondContact O-N 3.49Å; A252-E256 PolarHBondContact O-N 2.96Å
253	P	97.7	Very high	96.3	Very high	60 Å²	60	50.1 Å²	50.1	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-57.5	-42.1	172.7	-27.2	36.6	0	0	0	113.8	L221 C249 S250 K255 E256 E257	L221-P253 HydrophobicContact CD1-CB 3.88Å; C249-P253 WeakPolarHBondContact O-CD 3.3Å; S250-P253 WeakPolarHBondContact O-CD 3.3Å; P253-K255 PolarHBondContact O-N 2.97Å; P253-E256 PolarHBondContact O-N 3.18Å; P253-E257 PolarHBondContact O-N 3.33Å
254	L	98.3	Very high	96.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-35.2	-179.7	-69.9	169.2	0	0	0	113	L221 V224 K225 I228 L245 S250 A252 E257 L258 L281	L221-L254 HydrophobicContact CD1-CD2 3.82Å; L221-L254 HydrophobicContact CD1-CG 3.77Å; V224-L254 HydrophobicContact CB-CD1 3.89Å; V224-L254 HydrophobicContact CB-CD2 3.87Å; V224-L254 HydrophobicContact CG1-CD1 3.85Å; V224-L254 HydrophobicContact CG1-CD2 3.89Å; V224-L254 HydrophobicContact CG1-CG 4.47Å; V224-L254 HydrophobicContact CG2-CD1 4.45Å; K225-L254 HydrophobicContact CG-CD2 4.18Å; I228-L254 HydrophobicContact CD1-CD2 3.89Å; L245-L254 HydrophobicContact CD1-CD1 4Å; L245-L254 HydrophobicContact CD2-CD1 3.61Å; L245-L254 HydrophobicContact CG-CD1 4.48Å; S250-L254 WeakPolarHBondContact O-CB 3.11Å; S250-L254 WeakPolarHBondContact O-CD1 3.29Å; S250-L254 VanDerWaalsContact O-CG 3.27Å; S250-L254 WeakPolarHBondContact O-CG 3.35Å; S250-L254 PolarHBondContact O-N 3.46Å; S250-L254 VanDerWaalsContact O-N 3.13Å; A252-L254 PolarHBondContact O-N 3.26Å; L254-E257 PolarHBondContact O-N 3.4Å; L254-L258 WeakPolarHBondContact O-CG 3.32Å; L254-L258 PolarHBondContact O-N 3.13Å; L254-L258 VanDerWaalsContact O-N 3.08Å; L254-L281 HydrophobicContact CB-CD2 3.54Å; L254-L281 HydrophobicContact CD1-CD2 4.33Å
255	K	98.1	Very high	96.2	Very high	75 Å²	75	55.9 Å²	55.9	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-70.1	-34.9	172.7	-75.3	177	65.7	179.9	0	112.7	L251 A252 P253 R259 V266 H268 L281	L251-K255 HydrophobicContact CD1-CD 3.92Å; L251-K255 HydrophobicContact CD1-CG 4.28Å; L251-K255 HydrophobicContact CG-CD 4.16Å; L251-K255 WeakPolarHBondContact O-CB 3.46Å; L251-K255 VanDerWaalsContact O-CG 3.24Å; L251-K255 WeakPolarHBondContact O-CG 3.46Å; L251-K255 PolarHBondContact O-N 3.27Å; A252-K255 PolarHBondContact O-N 3.49Å; P253-K255 PolarHBondContact O-N 2.97Å; K255-R259 WeakPolarHBondContact O-CB 3.5Å; K255-R259 PolarHBondContact O-N 3.08Å; K255-V266 HydrophobicContact CG-CG1 4.41Å; K255-H268 PolarHBondContact NZ-CE1 2.84Å; K255-L281 HydrophobicContact CD-CD1 4.32Å; K255-L281 HydrophobicContact CG-CD1 3.63Å
256	E	97.9	Very high	96.3	Very high	70 Å²	70	58.1 Å²	58.1	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-68.6	-36.1	174	174.8	55.7	-161.6	0	0	111.5	A252 P253 R259 K260	A252-E256 PolarHBondContact O-N 2.96Å; P253-E256 PolarHBondContact O-N 3.18Å; E256-R259 WeakPolarHBondContact O-CB 3.4Å; E256-R259 PolarHBondContact O-N 3.37Å; E256-R259 IonicContact OE1-CZ 3.39Å; E256-R259 IonicContact OE1-NE 3.07Å; E256-R259 PolarHBondContact OE1-NE 2.56Å; E256-R259 IonicContact OE1-NH2 2.7Å; E256-R259 PolarHBondContact OE1-NH2 3.23Å; E256-R259 IonicContact OE2-CZ 3.66Å; E256-R259 IonicContact OE2-NE 2.74Å; E256-R259 PolarHBondContact OE2-NE 3.25Å; E256-R259 IonicContact OE2-NH2 3.56Å; E256-K260 WeakPolarHBondContact O-CG 3.45Å; E256-K260 PolarHBondContact O-N 3.13Å; E256-K260 VanDerWaalsContact OE1-CE 3.25Å; E256-K260 WeakPolarHBondContact OE1-CE 3.25Å
257	E	98.1	Very high	96.6	Very high	41 Å²	41	57.6 Å²	57.6	19%	0.192	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-51.4	173	-166.4	56.9	-140.6	0	0	111.3	P253 L254 R259 K260 Q261	P253-E257 PolarHBondContact O-N 3.33Å; L254-E257 PolarHBondContact O-N 3.4Å; E257-R259 PolarHBondContact O-N 3.46Å; E257-K260 PolarHBondContact O-N 3.43Å; E257-K260 VanDerWaalsContact O-N 3.08Å; E257-Q261 HydrophobicContact CG-CG 4.42Å; E257-Q261 VanDerWaalsContact O-CG 3.25Å; E257-Q261 WeakPolarHBondContact O-CG 3.36Å; E257-Q261 PolarHBondContact O-N 3.36Å; E257-Q261 PolarHBondContact OE1-NE2 3.45Å
258	L	98.4	Very high	96.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-55.5	-35.4	174.6	-71.3	169.1	0	0	0	112.9	I228 L254 G262 V263 V266 L281 W283	I228-L258 HydrophobicContact CD1-CD2 4.08Å; I228-L258 HydrophobicContact CD1-CG 3.99Å; I228-L258 HydrophobicContact CG1-CD2 3.94Å; I228-L258 HydrophobicContact CG1-CG 4.4Å; I228-L258 HydrophobicContact CG2-CD2 3.96Å; L254-L258 WeakPolarHBondContact O-CG 3.32Å; L254-L258 PolarHBondContact O-N 3.13Å; L254-L258 VanDerWaalsContact O-N 3.08Å; L258-G262 PolarHBondContact O-N 2.72Å; L258-V263 HydrophobicContact CB-CB 4.41Å; L258-V263 HydrophobicContact CB-CG2 4.48Å; L258-V263 HydrophobicContact CD2-CB 4.17Å; L258-V263 HydrophobicContact CD2-CG1 4.31Å; L258-V263 HydrophobicContact CD2-CG2 3.79Å; L258-V263 PolarHBondContact O-N 2.96Å; L258-V266 HydrophobicContact CB-CG2 3.95Å; L258-V266 HydrophobicContact CD1-CG1 3.75Å; L258-V266 HydrophobicContact CD1-CG2 4.06Å; L258-L281 HydrophobicContact CD1-CD1 4.08Å; L258-L281 HydrophobicContact CD1-CD2 3.86Å; L258-L281 HydrophobicContact CD1-CG 4.07Å; L258-W283 HydrophobicContact CD1-CB 4.07Å; L258-W283 HydrophobicContact CD1-CD2 4.09Å; L258-W283 HydrophobicContact CD1-CE3 4Å; L258-W283 HydrophobicContact CD1-CG 4.16Å; L258-W283 HydrophobicContact CD2-CB 4.08Å; L258-W283 HydrophobicContact CD2-CD2 3.73Å; L258-W283 HydrophobicContact CD2-CE3 4.38Å; L258-W283 HydrophobicContact CD2-CG 3.59Å
259	R	97.9	Very high	97.1	Very high	156 Å²	156	53.1 Å²	53.1	59%	0.589	29%	0.293	S	S	*	.	H	α-helix	trans	-68	-45.2	175.5	-170	-160.9	67.5	74.4	-0.3	112.1	K255 E256 E257 Q261 G262	K255-R259 WeakPolarHBondContact O-CB 3.5Å; K255-R259 PolarHBondContact O-N 3.08Å; E256-R259 WeakPolarHBondContact O-CB 3.4Å; E256-R259 PolarHBondContact O-N 3.37Å; E256-R259 IonicContact OE1-CZ 3.39Å; E256-R259 IonicContact OE1-NE 3.07Å; E256-R259 PolarHBondContact OE1-NE 2.56Å; E256-R259 IonicContact OE1-NH2 2.7Å; E256-R259 PolarHBondContact OE1-NH2 3.23Å; E256-R259 IonicContact OE2-CZ 3.66Å; E256-R259 IonicContact OE2-NE 2.74Å; E256-R259 PolarHBondContact OE2-NE 3.25Å; E256-R259 IonicContact OE2-NH2 3.56Å; E257-R259 PolarHBondContact O-N 3.46Å; R259-Q261 VanDerWaalsContact C-N 3.31Å; R259-Q261 PolarHBondContact O-N 2.87Å; R259-G262 PolarHBondContact O-N 2.83Å
260	K	97.9	Very high	97.2	Very high	128 Å²	128	50.9 Å²	50.9	56%	0.557	27%	0.273	S	S	*	.	H	α-helix	trans	-61.8	-40.1	176.7	-72.8	170	179.4	178.1	0	112.1	E256 E257 G262	E256-K260 WeakPolarHBondContact O-CG 3.45Å; E256-K260 PolarHBondContact O-N 3.13Å; E256-K260 VanDerWaalsContact OE1-CE 3.25Å; E256-K260 WeakPolarHBondContact OE1-CE 3.25Å; E257-K260 PolarHBondContact O-N 3.43Å; E257-K260 VanDerWaalsContact O-N 3.08Å; K260-G262 PolarHBondContact O-N 3.2Å
261	Q	97.8	Very high	97.1	Very high	91 Å²	91	50.9 Å²	50.9	43%	0.425	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	8.2	-179.7	-56.2	-68.6	-10.4	0	0	113.3	L232 E257 R259 V263	L232-Q261 HydrophobicContact CD1-CB 3.91Å; L232-Q261 HydrophobicContact CD1-CG 3.79Å; L232-Q261 HydrophobicContact CD2-CB 3.78Å; L232-Q261 HydrophobicContact CG-CB 4.45Å; E257-Q261 HydrophobicContact CG-CG 4.42Å; E257-Q261 VanDerWaalsContact O-CG 3.25Å; E257-Q261 WeakPolarHBondContact O-CG 3.36Å; E257-Q261 PolarHBondContact O-N 3.36Å; E257-Q261 PolarHBondContact OE1-NE2 3.45Å; R259-Q261 VanDerWaalsContact C-N 3.31Å; R259-Q261 PolarHBondContact O-N 2.87Å; Q261-V263 VanDerWaalsContact C-N 3.33Å; Q261-V263 HydrophobicContact CB-CG2 4.3Å; Q261-V263 PolarHBondContact O-N 3.31Å
262	G	96.9	Very high	96.6	Very high	58 Å²	58	50.4 Å²	50.4	60%	0.598	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	22.3	172.7	0	0	0	0	0	115.6	L258 R259 K260 P264	L258-G262 PolarHBondContact O-N 2.72Å; R259-G262 PolarHBondContact O-N 2.83Å; K260-G262 PolarHBondContact O-N 3.2Å; G262-P264 WeakPolarHBondContact O-CD 3.17Å
263	V	98.2	Very high	95.8	Very high	12 Å²	12	48 Å²	48	7%	0.073	25%	0.247	C	C	.	.			trans	-71.6	119.3	-174.6	-175.2	0	0	0	0	110.6	L232 L258 Q261 K265 V266 W283 F285	L232-V263 HydrophobicContact CD2-CG2 4.12Å; L258-V263 HydrophobicContact CB-CB 4.41Å; L258-V263 HydrophobicContact CB-CG2 4.48Å; L258-V263 HydrophobicContact CD2-CB 4.17Å; L258-V263 HydrophobicContact CD2-CG1 4.31Å; L258-V263 HydrophobicContact CD2-CG2 3.79Å; L258-V263 PolarHBondContact O-N 2.96Å; Q261-V263 VanDerWaalsContact C-N 3.33Å; Q261-V263 HydrophobicContact CB-CG2 4.3Å; Q261-V263 PolarHBondContact O-N 3.31Å; V263-K265 PolarHBondContact O-N 2.82Å; V263-V266 HydrophobicContact CB-CG2 4.45Å; V263-V266 HydrophobicContact CG1-CG2 4.39Å; V263-W283 HydrophobicContact CG1-CB 3.93Å; V263-W283 HydrophobicContact CG1-CG 4.21Å; V263-F285 HydrophobicContact CB-CE1 4.42Å; V263-F285 HydrophobicContact CG1-CD1 4.5Å; V263-F285 HydrophobicContact CG1-CE1 4.14Å; V263-F285 HydrophobicContact CG1-CZ 4.19Å; V263-F285 HydrophobicContact CG2-CE1 3.86Å; V263-F285 HydrophobicContact CG2-CZ 3.94Å
264	P	96.8	Very high	95.1	Very high	71 Å²	71	46 Å²	46	46%	0.461	24%	0.237	S	C	.	.	S	Bend	trans	-75.8	-25.5	-162.4	28	-35.7	0	0	0	114.5	G262 S284	G262-P264 WeakPolarHBondContact O-CD 3.17Å; P264-S284 WeakPolarHBondContact CD-O 3.42Å; P264-S284 WeakPolarHBondContact CG-O 3.34Å
265	K	97.8	Very high	94.3	Very high	50 Å²	50	55.8 Å²	55.8	22%	0.217	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.1	179.3	-50.2	-71.1	-174.5	151.6	0	109.5	V263 W283 S284 Y286 D287 V289 V291	V263-K265 PolarHBondContact O-N 2.82Å; K265-W283 CarbonylContact O-C 3.52Å; K265-W283 WeakPolarHBondContact O-CA 3.29Å; K265-W283 WeakPolarHBondContact O-CB 3.29Å; K265-S284 PolarHBondContact N-O 2.78Å; K265-S284 PolarHBondContact O-N 3.23Å; K265-Y286 WeakPolarHBondContact CE-O 3.24Å; K265-Y286 WeakPolarHBondContact CG-O 3.15Å; K265-D287 WeakPolarHBondContact CE-O 3.43Å; K265-D287 PolarHBondContact NZ-O 3.21Å; K265-V289 HydrophobicContact CB-CG2 4.45Å; K265-V289 HydrophobicContact CD-CG2 4.48Å; K265-V289 HydrophobicContact CG-CG2 3.93Å; K265-V291 HydrophobicContact CB-CG2 4.15Å; K265-V291 HydrophobicContact CD-CG2 3.8Å; K265-V291 HydrophobicContact CG-CG2 4.37Å
266	V	97.9	Very high	93.5	Very high	48 Å²	48	54.7 Å²	54.7	29%	0.291	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	126.8	176.5	-176.5	0	0	0	0	110.2	K255 L258 V263 L281 A282 W283	K255-V266 HydrophobicContact CG-CG1 4.41Å; L258-V266 HydrophobicContact CB-CG2 3.95Å; L258-V266 HydrophobicContact CD1-CG1 3.75Å; L258-V266 HydrophobicContact CD1-CG2 4.06Å; V263-V266 HydrophobicContact CB-CG2 4.45Å; V263-V266 HydrophobicContact CG1-CG2 4.39Å; V266-L281 HydrophobicContact CG1-CD1 3.88Å; V266-A282 WeakPolarHBondContact CA-O 3.35Å; V266-W283 HydrophobicContact CG2-CB 4.19Å
267	T	97.7	Very high	93.1	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	168.5	172	-168.8	0	0	0	0	112.1	W88 L92 W240 A282 V291 P292	W88-T267 HydrophobicContact CZ2-CG2 4.06Å; L92-T267 HydrophobicContact CD2-CG2 3.82Å; W240-T267 HydrophobicContact CH2-CG2 4.24Å; W240-T267 HydrophobicContact CZ3-CG2 4.26Å; T267-A282 HydrophobicContact CG2-CB 4.38Å; T267-A282 PolarHBondContact N-O 2.75Å; T267-A282 PolarHBondContact O-N 3.11Å; T267-A282 VanDerWaalsContact O-O 3.08Å; T267-V291 HydrophobicContact CG2-CG1 3.91Å; T267-P292 PolarHBondContact OG1-O 3.39Å
268	H	97.2	Very high	92.9	Very high	42 Å²	42	56.2 Å²	56.2	19%	0.194	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	153.8	-174.1	61.1	-59.2	0	0	0	111.4	L251 K255 A280 L281 P294 P295	L251-H268 HydrophobicContact CD1-CB 3.92Å; K255-H268 PolarHBondContact NZ-CE1 2.84Å; H268-A280 CarbonylContact C-O 3.56Å; H268-A280 WeakPolarHBondContact CA-O 3.28Å; H268-A280 VanDerWaalsContact CB-O 3.3Å; H268-A280 WeakPolarHBondContact CB-O 3.48Å; H268-L281 HydrophobicContact CB-CD1 4.32Å; H268-P294 WeakPolarHBondContact CE1-CB 3.28Å; H268-P294 WeakPolarHBondContact O-CA 3.14Å; H268-P294 VanDerWaalsContact O-CB 3.29Å; H268-P294 WeakPolarHBondContact O-CB 3.39Å; H268-P295 VanDerWaalsContact O-CD 3.29Å; H268-P295 WeakPolarHBondContact O-CD 3.42Å
269	T	95.6	Very high	92.8	Very high	22 Å²	22	57 Å²	57	14%	0.135	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	173.3	179.4	-164	0	0	0	0	113.2	W88 F271 W279 A280	W88-T269 HydrophobicContact CD2-CG2 3.44Å; W88-T269 VanDerWaalsContact CD2-CG2 3.44Å; W88-T269 VanDerWaalsContact CE2-CG2 3.45Å; W88-T269 HydrophobicContact CE3-CG2 3.89Å; W88-T269 HydrophobicContact CG-CG2 3.76Å; W88-T269 HydrophobicContact CH2-CG2 4.24Å; W88-T269 HydrophobicContact CZ2-CG2 3.85Å; W88-T269 HydrophobicContact CZ3-CG2 4.27Å; T269-F271 HydrophobicContact CG2-CD1 3.9Å; T269-F271 HydrophobicContact CG2-CE1 3.32Å; T269-F271 HydrophobicContact CG2-CZ 3.81Å; T269-W279 VanDerWaalsContact O-CA 3.29Å; T269-W279 WeakPolarHBondContact O-CA 3.46Å; T269-A280 HydrophobicContact CG2-CB 4.15Å; T269-A280 PolarHBondContact N-O 3.24Å; T269-A280 PolarHBondContact O-N 3Å; T269-A280 VanDerWaalsContact O-N 3.11Å
270	E	94.1	Very high	92.8	Very high	47 Å²	47	49.6 Å²	49.6	22%	0.22	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.6	176.1	-55.6	-160.7	125.2	0	0	109.6	K248 R278 W279 P295	K248-E270 IonicContact NZ-OE1 2.6Å; K248-E270 PolarHBondContact NZ-OE1 3.1Å; E270-R278 CarbonylContact C-O 3.57Å; E270-R278 WeakPolarHBondContact CA-O 3.27Å; E270-W279 PolarHBondContact OE1-NE1 2.93Å; E270-P295 HydrophobicContact CB-CG 4.41Å; E270-P295 HydrophobicContact CG-CG 4.27Å
271	F	92.4	Very high	92.8	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.5	171.7	-51.9	-38.7	0	0	0	109.8	L81 N84 Y85 W88 M244 T269 M277 R278 A280	L81-F271 HydrophobicContact CD1-CB 3.93Å; L81-F271 HydrophobicContact CD1-CD2 4.02Å; L81-F271 HydrophobicContact CD1-CG 4.38Å; N84-F271 HydrophobicContact CB-CB 4.02Å; N84-F271 HydrophobicContact CB-CD1 3.75Å; N84-F271 HydrophobicContact CB-CE1 4.36Å; N84-F271 HydrophobicContact CB-CG 3.9Å; N84-F271 WeakPolarHBondContact O-CE1 3.48Å; Y85-F271 HydrophobicContact CD1-CE2 4.27Å; Y85-F271 HydrophobicContact CD2-CE2 4.04Å; Y85-F271 AromaticContact CD2-CZ 3.72Å; Y85-F271 HydrophobicContact CD2-CZ 3.72Å; Y85-F271 AromaticContact CG-CE2 3.74Å; Y85-F271 HydrophobicContact CG-CE2 3.74Å; Y85-F271 AromaticContact CG-CZ 3.82Å; Y85-F271 HydrophobicContact CG-CZ 3.82Å; W88-F271 HydrophobicContact CB-CE1 3.88Å; W88-F271 HydrophobicContact CB-CZ 4.19Å; W88-F271 HydrophobicContact CD2-CZ 4.45Å; W88-F271 HydrophobicContact CE3-CZ 4.07Å; W88-F271 HydrophobicContact CG-CE1 4.25Å; M244-F271 HydrophobicContact CG-CD2 4.22Å; M244-F271 HydrophobicContact CG-CE2 4.11Å; M244-F271 HydrophobicContact SD-CD2 3.87Å; M244-F271 HydrophobicContact SD-CE2 4.05Å; T269-F271 HydrophobicContact CG2-CD1 3.9Å; T269-F271 HydrophobicContact CG2-CE1 3.32Å; T269-F271 HydrophobicContact CG2-CZ 3.81Å; F271-M277 CarbonylContact O-C 3.5Å; F271-M277 VanDerWaalsContact O-CA 3.32Å; F271-M277 WeakPolarHBondContact O-CA 3.42Å; F271-R278 HydrophobicContact CB-CB 4.26Å; F271-R278 HydrophobicContact CD2-CB 4.18Å; F271-R278 PolarHBondContact N-O 3.33Å; F271-R278 PolarHBondContact O-N 2.98Å; F271-A280 HydrophobicContact CE2-CB 3.61Å; F271-A280 HydrophobicContact CZ-CB 3.61Å
272	C	85.8	Confident	92.9	Very high	7 Å²	7	39.1 Å²	39.1	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.9	-176.9	-69.3	0	0	0	0	110.7	S6 M7	S6-C272 VanDerWaalsContact CB-CB 3.49Å; M7-C272 WeakPolarHBondContact CG-O 3.35Å
273	Q	79.8	Confident	92.9	Very high	19 Å²	19	36.4 Å²	36.4	9%	0.089	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	116.6	176.2	62.6	-68	-26.7	0	0	110.4	M7 L81 R275 T276	M7-Q273 HydrophobicContact CE-CB 3.53Å; L81-Q273 HydrophobicContact CB-CG 4.05Å; Q273-R275 PolarHBondContact O-N 3.45Å; Q273-T276 PolarHBondContact N-O 2.91Å; Q273-T276 PolarHBondContact NE2-O 3.28Å; Q273-T276 PolarHBondContact O-N 3.31Å
274	G	82.7	Confident	92.9	Very high	18 Å²	18	35.8 Å²	35.8	19%	0.186	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-123.5	-170.8	0	0	0	0	0	111.1	L3	L3-G274 WeakPolarHBondContact CB-O 2.84Å; L3-G274 WeakPolarHBondContact CD1-O 3.43Å
275	R	80.8	Confident	93	Very high	207 Å²	207	33.6 Å²	33.6	78%	0.781	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.3	176.2	-65.6	-179.9	178.9	174.7	0	114	Q273	Q273-R275 PolarHBondContact O-N 3.45Å
276	T	82.8	Confident	92.9	Very high	52 Å²	52	32.6 Å²	32.6	32%	0.319	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.4	-175.3	-56.7	0	0	0	0	109.5	Q273	Q273-T276 PolarHBondContact N-O 2.91Å; Q273-T276 PolarHBondContact NE2-O 3.28Å; Q273-T276 PolarHBondContact O-N 3.31Å
277	M	89.5	Confident	92.7	Very high	87 Å²	87	35.1 Å²	35.1	43%	0.429	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	147.7	169.9	-63.2	-174.3	-66.5	0	0	109.8	F271 W279	F271-M277 CarbonylContact O-C 3.5Å; F271-M277 VanDerWaalsContact O-CA 3.32Å; F271-M277 WeakPolarHBondContact O-CA 3.42Å; M277-W279 HydrophobicContact CB-CH2 3.78Å; M277-W279 HydrophobicContact CB-CZ2 4Å; M277-W279 HydrophobicContact CE-CH2 4.49Å; M277-W279 HydrophobicContact CE-CZ2 4.42Å
278	R	93.7	Very high	92.4	Very high	56 Å²	56	39.6 Å²	39.6	21%	0.211	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	159.6	167.5	-67.5	-67.7	178.7	-100.5	10.3	108.4	L81 M244 L245 E270 F271	L81-R278 HydrophobicContact CD1-CB 4.14Å; L81-R278 HydrophobicContact CD1-CG 3.88Å; L81-R278 HydrophobicContact CD2-CG 4Å; M244-R278 HydrophobicContact CG-CB 4.04Å; M244-R278 HydrophobicContact CG-CG 4.44Å; M244-R278 HydrophobicContact SD-CB 3.9Å; M244-R278 HydrophobicContact SD-CG 3.91Å; L245-R278 WeakPolarHBondContact O-CD 3.35Å; E270-R278 CarbonylContact C-O 3.57Å; E270-R278 WeakPolarHBondContact CA-O 3.27Å; F271-R278 HydrophobicContact CB-CB 4.26Å; F271-R278 HydrophobicContact CD2-CB 4.18Å; F271-R278 PolarHBondContact N-O 3.33Å; F271-R278 PolarHBondContact O-N 2.98Å
279	W	95.8	Very high	92.1	Very high	16 Å²	16	37.9 Å²	37.9	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	163	168.6	-60.8	-92.3	0	0	0	108	M244 L245 K248 L251 T269 E270 M277	M244-W279 CarbonylContact C-O 3.55Å; M244-W279 WeakPolarHBondContact CA-O 3.48Å; M244-W279 VanDerWaalsContact CG-O 3.27Å; M244-W279 WeakPolarHBondContact CG-O 3.28Å; L245-W279 HydrophobicContact CB-CB 4.16Å; L245-W279 PolarHBondContact N-O 3.02Å; L245-W279 PolarHBondContact O-N 3.12Å; K248-W279 HydrophobicContact CB-CD2 4.05Å; K248-W279 HydrophobicContact CB-CE3 4.04Å; K248-W279 HydrophobicContact CB-CH2 3.76Å; K248-W279 HydrophobicContact CB-CZ2 3.73Å; K248-W279 HydrophobicContact CB-CZ3 3.9Å; K248-W279 HydrophobicContact CD-CH2 4.41Å; K248-W279 HydrophobicContact CD-CZ2 3.62Å; K248-W279 HydrophobicContact CG-CD2 4.2Å; K248-W279 HydrophobicContact CG-CH2 4.44Å; K248-W279 HydrophobicContact CG-CZ2 3.89Å; L251-W279 HydrophobicContact CD2-CB 4.47Å; L251-W279 HydrophobicContact CD2-CG 4.29Å; T269-W279 VanDerWaalsContact O-CA 3.29Å; T269-W279 WeakPolarHBondContact O-CA 3.46Å; E270-W279 PolarHBondContact OE1-NE1 2.93Å; M277-W279 HydrophobicContact CB-CH2 3.78Å; M277-W279 HydrophobicContact CB-CZ2 4Å; M277-W279 HydrophobicContact CE-CH2 4.49Å; M277-W279 HydrophobicContact CE-CZ2 4.42Å
280	A	97.6	Very high	91.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.9	160.6	0	0	0	0	0	109.2	Y85 W88 C243 H268 T269 F271	Y85-A280 HydrophobicContact CE2-CB 4.49Å; W88-A280 HydrophobicContact CE3-CB 3.79Å; W88-A280 HydrophobicContact CH2-CB 4.05Å; W88-A280 HydrophobicContact CZ3-CB 3.37Å; C243-A280 WeakPolarHBondContact O-CA 3.41Å; H268-A280 CarbonylContact C-O 3.56Å; H268-A280 WeakPolarHBondContact CA-O 3.28Å; H268-A280 VanDerWaalsContact CB-O 3.3Å; H268-A280 WeakPolarHBondContact CB-O 3.48Å; T269-A280 HydrophobicContact CG2-CB 4.15Å; T269-A280 PolarHBondContact N-O 3.24Å; T269-A280 PolarHBondContact O-N 3Å; T269-A280 VanDerWaalsContact O-N 3.11Å; F271-A280 HydrophobicContact CE2-CB 3.61Å; F271-A280 HydrophobicContact CZ-CB 3.61Å
281	L	98.4	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.1	-179.1	179	65	0	0	0	107.2	S242 C243 L245 L251 L254 K255 L258 V266 H268 W283	S242-L281 CarbonylContact C-O 3.51Å; S242-L281 VanDerWaalsContact CA-O 3.29Å; S242-L281 WeakPolarHBondContact CA-O 3.29Å; C243-L281 PolarHBondContact N-O 2.78Å; C243-L281 PolarHBondContact O-N 3.38Å; L245-L281 HydrophobicContact CD1-CB 4.31Å; L251-L281 HydrophobicContact CD1-CB 4.41Å; L251-L281 HydrophobicContact CD1-CD1 4.2Å; L254-L281 HydrophobicContact CB-CD2 3.54Å; L254-L281 HydrophobicContact CD1-CD2 4.33Å; K255-L281 HydrophobicContact CD-CD1 4.32Å; K255-L281 HydrophobicContact CG-CD1 3.63Å; L258-L281 HydrophobicContact CD1-CD1 4.08Å; L258-L281 HydrophobicContact CD1-CD2 3.86Å; L258-L281 HydrophobicContact CD1-CG 4.07Å; V266-L281 HydrophobicContact CG1-CD1 3.88Å; H268-L281 HydrophobicContact CB-CD1 4.32Å; L281-W283 HydrophobicContact CD2-CZ3 4.48Å; L281-W283 HydrophobicContact CG-CE3 4.2Å; L281-W283 HydrophobicContact CG-CZ3 4.34Å
282	A	98.6	Very high	91.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.3	177.5	0	0	0	0	0	110.8	W88 L92 W240 Y241 V266 T267	W88-A282 HydrophobicContact CH2-CB 3.41Å; W88-A282 VanDerWaalsContact CH2-CB 3.41Å; W88-A282 HydrophobicContact CZ2-CB 4.19Å; W88-A282 HydrophobicContact CZ3-CB 3.83Å; L92-A282 HydrophobicContact CD1-CB 3.74Å; L92-A282 HydrophobicContact CD2-CB 3.98Å; W240-A282 HydrophobicContact CE3-CB 4.05Å; W240-A282 HydrophobicContact CZ3-CB 4.26Å; Y241-A282 CarbonylContact O-C 3.55Å; Y241-A282 WeakPolarHBondContact O-CA 3.25Å; V266-A282 WeakPolarHBondContact CA-O 3.35Å; T267-A282 HydrophobicContact CG2-CB 4.38Å; T267-A282 PolarHBondContact N-O 2.75Å; T267-A282 PolarHBondContact O-N 3.11Å; T267-A282 VanDerWaalsContact O-O 3.08Å
283	W	98.6	Very high	91.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.6	-178.1	65.6	96.3	0	0	0	112.4	V224 I227 I228 S231 W240 Y241 L258 V263 K265 V266 L281	V224-W283 HydrophobicContact CG1-CH2 4.33Å; I227-W283 HydrophobicContact CB-CH2 4.37Å; I227-W283 HydrophobicContact CG2-CH2 3.93Å; I227-W283 HydrophobicContact CG2-CZ2 3.98Å; I228-W283 HydrophobicContact CB-CZ2 4.33Å; I228-W283 HydrophobicContact CG1-CH2 3.81Å; I228-W283 HydrophobicContact CG1-CZ2 3.6Å; I228-W283 HydrophobicContact CG1-CZ3 4.49Å; S231-W283 PolarHBondContact OG-NE1 3.04Å; W240-W283 VanDerWaalsContact CE3-C 3.49Å; Y241-W283 AromaticContact CD2-NE1 3.89Å; Y241-W283 HydrophobicContact CG-CZ2 4.33Å; Y241-W283 AromaticContact CG-NE1 3.76Å; Y241-W283 PolarHBondContact N-O 2.91Å; Y241-W283 PolarHBondContact O-N 2.66Å; L258-W283 HydrophobicContact CD1-CB 4.07Å; L258-W283 HydrophobicContact CD1-CD2 4.09Å; L258-W283 HydrophobicContact CD1-CE3 4Å; L258-W283 HydrophobicContact CD1-CG 4.16Å; L258-W283 HydrophobicContact CD2-CB 4.08Å; L258-W283 HydrophobicContact CD2-CD2 3.73Å; L258-W283 HydrophobicContact CD2-CE3 4.38Å; L258-W283 HydrophobicContact CD2-CG 3.59Å; V263-W283 HydrophobicContact CG1-CB 3.93Å; V263-W283 HydrophobicContact CG1-CG 4.21Å; K265-W283 CarbonylContact O-C 3.52Å; K265-W283 WeakPolarHBondContact O-CA 3.29Å; K265-W283 WeakPolarHBondContact O-CB 3.29Å; V266-W283 HydrophobicContact CG2-CB 4.19Å; L281-W283 HydrophobicContact CD2-CZ3 4.48Å; L281-W283 HydrophobicContact CG-CE3 4.2Å; L281-W283 HydrophobicContact CG-CZ3 4.34Å
284	S	98.4	Very high	91.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.9	-179.6	-174.5	0	0	0	0	111.5	R239 P264 K265 Y286	R239-S284 VanDerWaalsContact O-CB 3.23Å; R239-S284 WeakPolarHBondContact O-CB 3.41Å; R239-S284 PolarHBondContact O-OG 3.06Å; P264-S284 WeakPolarHBondContact CD-O 3.42Å; P264-S284 WeakPolarHBondContact CG-O 3.34Å; K265-S284 PolarHBondContact N-O 2.78Å; K265-S284 PolarHBondContact O-N 3.23Å; S284-Y286 PolarHBondContact OG-N 3.49Å
285	F	97.8	Very high	91.7	Very high	24 Å²	24	51.7 Å²	51.7	11%	0.105	28%	0.275	C	S	.	.	S	Bend	trans	-99	-0.4	170.4	-60.3	-88.2	0	0	0	112.4	S231 L232 K235 K236 Y241 V263	S231-F285 WeakPolarHBondContact O-CE2 3.07Å; S231-F285 WeakPolarHBondContact O-CZ 3.47Å; L232-F285 HydrophobicContact CD2-CE1 3.94Å; L232-F285 HydrophobicContact CD2-CZ 3.87Å; K235-F285 HydrophobicContact CB-CB 4.45Å; K235-F285 HydrophobicContact CB-CD2 4.44Å; K235-F285 HydrophobicContact CB-CG 4.24Å; K235-F285 HydrophobicContact CG-CD1 4.49Å; K235-F285 WeakPolarHBondContact O-CD2 3.43Å; K236-F285 WeakPolarHBondContact CE-O 3.46Å; K236-F285 HydrophobicContact CG-CB 4.19Å; Y241-F285 HydrophobicContact CD2-CD2 4.34Å; Y241-F285 HydrophobicContact CD2-CE2 4.19Å; Y241-F285 AromaticContact CE2-CD2 3.76Å; Y241-F285 HydrophobicContact CE2-CD2 3.76Å; Y241-F285 AromaticContact CE2-CE2 3.79Å; Y241-F285 HydrophobicContact CE2-CE2 3.79Å; V263-F285 HydrophobicContact CB-CE1 4.42Å; V263-F285 HydrophobicContact CG1-CD1 4.5Å; V263-F285 HydrophobicContact CG1-CE1 4.14Å; V263-F285 HydrophobicContact CG1-CZ 4.19Å; V263-F285 HydrophobicContact CG2-CE1 3.86Å; V263-F285 HydrophobicContact CG2-CZ 3.94Å
286	Y	96.1	Very high	91.3	Very high	30 Å²	30	46 Å²	46	12%	0.118	27%	0.267	C	S	.	.			trans	-85.6	147.7	175.8	-81.3	-88.5	0	0	0	111.9	K236 R239 K265 S284 D288	K236-Y286 HydrophobicContact CB-CD2 4.29Å; K236-Y286 HydrophobicContact CB-CE1 4.37Å; K236-Y286 HydrophobicContact CB-CE2 3.64Å; K236-Y286 HydrophobicContact CD-CD1 4.11Å; K236-Y286 HydrophobicContact CD-CE1 4.07Å; K236-Y286 HydrophobicContact CD-CG 4.4Å; K236-Y286 HydrophobicContact CG-CD1 4.41Å; K236-Y286 HydrophobicContact CG-CD2 3.98Å; K236-Y286 HydrophobicContact CG-CE1 4.3Å; K236-Y286 HydrophobicContact CG-CE2 3.84Å; K236-Y286 HydrophobicContact CG-CG 4.29Å; K236-Y286 WeakPolarHBondContact O-CE2 3.43Å; K236-Y286 PolarHBondContact O-OH 2.71Å; R239-Y286 HydrophobicContact CB-CD2 4.26Å; R239-Y286 HydrophobicContact CB-CE2 4.19Å; R239-Y286 HydrophobicContact CG-CD2 4.08Å; R239-Y286 HydrophobicContact CG-CE2 3.61Å; K265-Y286 WeakPolarHBondContact CE-O 3.24Å; K265-Y286 WeakPolarHBondContact CG-O 3.15Å; S284-Y286 PolarHBondContact OG-N 3.49Å; Y286-D288 WeakPolarHBondContact CB-OD1 3.47Å; Y286-D288 VanDerWaalsContact CD1-OD1 3.23Å; Y286-D288 WeakPolarHBondContact CD1-OD1 3.02Å
287	D	92.9	Very high	90	Very high	100 Å²	100	54 Å²	54	54%	0.535	30%	0.297	S	S	.	.	S	Bend	trans	-97.5	-29.5	-172.8	-52.1	-76.3	0	0	0	110.9	K236 K265	K236-D287 IonicContact NZ-OD2 2.97Å; K236-D287 PolarHBondContact NZ-OD2 2.95Å; K265-D287 WeakPolarHBondContact CE-O 3.43Å; K265-D287 PolarHBondContact NZ-O 3.21Å
288	D	90.9	Very high	87.9	Confident	98 Å²	98	59.6 Å²	59.6	52%	0.524	32%	0.319	S	S	.	.	S	Bend	trans	-77.9	-14.1	177.6	56.3	-65.9	0	0	0	114.8	R239 Y286 T290	R239-D288 IonicContact CZ-OD2 3.49Å; R239-D288 IonicContact NH1-OD2 2.71Å; R239-D288 PolarHBondContact NH1-OD2 2.94Å; R239-D288 VanDerWaalsContact NH1-OD2 3.07Å; R239-D288 IonicContact NH2-OD2 3.54Å; R239-D288 PolarHBondContact NH2-OD2 2.86Å; Y286-D288 WeakPolarHBondContact CB-OD1 3.47Å; Y286-D288 VanDerWaalsContact CD1-OD1 3.23Å; Y286-D288 WeakPolarHBondContact CD1-OD1 3.02Å; D288-T290 PolarHBondContact O-N 2.77Å
289	V	91.5	Very high	85.7	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.03	33%	0.331	C	S	.	.			trans	-72.2	125	178.9	-64.9	0	0	0	0	111.5	W240 K265	W240-V289 HydrophobicContact CH2-CG2 4.33Å; W240-V289 HydrophobicContact CZ2-CB 3.96Å; W240-V289 HydrophobicContact CZ2-CG2 3.8Å; K265-V289 HydrophobicContact CB-CG2 4.45Å; K265-V289 HydrophobicContact CD-CG2 4.48Å; K265-V289 HydrophobicContact CG-CG2 3.93Å
290	T	90.8	Very high	83.3	Confident	123 Å²	123	71.1 Å²	71.1	76%	0.755	37%	0.367	S	S	*	.			trans	-65.9	132.9	165.4	-63.5	0	0	0	0	108.9	D288 P292	D288-T290 PolarHBondContact O-N 2.77Å; T290-P292 WeakPolarHBondContact O-CD 3.25Å
291	V	90.9	Very high	80.9	Confident	53 Å²	53	75.6 Å²	75.6	32%	0.321	39%	0.391	S	S	.	.			trans	-102.1	113.7	-175.7	-177	0	0	0	0	109.7	W240 K265 T267 S293	W240-V291 HydrophobicContact CH2-CG1 4.39Å; W240-V291 HydrophobicContact CH2-CG2 4.22Å; K265-V291 HydrophobicContact CB-CG2 4.15Å; K265-V291 HydrophobicContact CD-CG2 3.8Å; K265-V291 HydrophobicContact CG-CG2 4.37Å; T267-V291 HydrophobicContact CG2-CG1 3.91Å; V291-S293 PolarHBondContact O-N 3.43Å
292	P	88.5	Confident	78.5	Confident	22 Å²	22	83.4 Å²	83.4	14%	0.143	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-56.4	132.3	175	-28.1	36.5	0	0	0	111.9	D91 L92 T267 T290	D91-P292 HydrophobicContact CB-CG 4.27Å; D91-P292 WeakPolarHBondContact O-CG 3.23Å; L92-P292 HydrophobicContact CD2-CG 3.89Å; L92-P292 HydrophobicContact CG-CG 4.26Å; T267-P292 PolarHBondContact OG1-O 3.39Å; T290-P292 WeakPolarHBondContact O-CD 3.25Å
293	S	86.3	Confident	76	Confident	115 Å²	115	91.8 Å²	91.8	80%	0.804	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-66.3	129.9	-178.2	-76.9	0	0	0	0	111.5	V291	V291-S293 PolarHBondContact O-N 3.43Å
294	P	85.2	Confident	73.7	Confident	59 Å²	59	96.6 Å²	96.6	38%	0.383	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-68.2	156.1	179.1	29.2	-35.8	0	0	0	111.8	H268 S296	H268-P294 WeakPolarHBondContact CE1-CB 3.28Å; H268-P294 WeakPolarHBondContact O-CA 3.14Å; H268-P294 VanDerWaalsContact O-CB 3.29Å; H268-P294 WeakPolarHBondContact O-CB 3.39Å; P294-S296 PolarHBondContact O-N 3.11Å
295	P	80.8	Confident	72	Confident	38 Å²	38	103.3 Å²	103.3	25%	0.247	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-51.9	128.6	-177.3	-29.8	35.9	0	0	0	113.9	H268 E270 K297	H268-P295 VanDerWaalsContact O-CD 3.29Å; H268-P295 WeakPolarHBondContact O-CD 3.42Å; E270-P295 HydrophobicContact CB-CG 4.41Å; E270-P295 HydrophobicContact CG-CG 4.27Å; P295-K297 PolarHBondContact O-N 3.22Å
296	S	71.4	Confident	70.9	Confident	88 Å²	88	110.9 Å²	110.9	62%	0.615	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63.3	131.9	-173.2	-35.3	0	0	0	0	111.8	P294 K298 R299	P294-S296 PolarHBondContact O-N 3.11Å; S296-K298 PolarHBondContact O-N 3.23Å; S296-R299 PolarHBondContact O-N 2.91Å
297	K	56.1	Low	70.4	Confident	221 Å²	221	111 Å²	111	96%	0.961	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-17.3	176.7	-64.4	-177.7	-178.5	176.5	0	114.2	P295 R299	P295-K297 PolarHBondContact O-N 3.22Å; K297-R299 VanDerWaalsContact C-N 3.3Å; K297-R299 PolarHBondContact O-N 2.78Å
298	K	45.5	Very low	70.3	Confident	203 Å²	203	108.1 Å²	108.1	88%	0.883	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-2	174.5	-70.7	-173.7	177.4	179.4	0	114.9	S296 K300	S296-K298 PolarHBondContact O-N 3.23Å; K298-K300 PolarHBondContact O-N 3.01Å
299	R	48.7	Very low	70.3	Confident	125 Å²	125	105.9 Å²	105.9	47%	0.472	55%	0.549	S	S	.	.			trans	-67.1	55.5	167.4	-92.3	-174.8	164.9	-168.6	-3	112.4	S6 S296 K297 L301	S6-R299 PolarHBondContact O-NH2 2.78Å; S296-R299 PolarHBondContact O-N 2.91Å; K297-R299 VanDerWaalsContact C-N 3.3Å; K297-R299 PolarHBondContact O-N 2.78Å; R299-L301 PolarHBondContact O-N 3.13Å
300	K	44	Very low	70.4	Confident	189 Å²	189	106 Å²	106	82%	0.822	55%	0.548	S	S	*	.			trans	-60.7	116.8	150.7	-88.1	-176.4	176.2	175.5	0	105.5	K298 E302	K298-K300 PolarHBondContact O-N 3.01Å; K300-E302 PolarHBondContact O-N 3.46Å
301	L	46.7	Very low	70.5	Confident	95 Å²	95	102.7 Å²	102.7	50%	0.497	53%	0.528	S	S	.	.			trans	-52.5	118.4	173.7	-178.9	71	0	0	0	108.4	L3 R299 K303	L3-L301 HydrophobicContact CD2-CD1 3.69Å; L3-L301 HydrophobicContact CD2-CD2 3.88Å; L3-L301 HydrophobicContact CD2-CG 4.45Å; L3-L301 HydrophobicContact CG-CD1 4.45Å; L3-L301 HydrophobicContact CG-CD2 4.45Å; R299-L301 PolarHBondContact O-N 3.13Å; L301-K303 PolarHBondContact O-N 2.76Å
302	E	48	Very low	70.4	Confident	163 Å²	163	100.2 Å²	100.2	76%	0.762	51%	0.513	S	S	*	.			trans	-64.8	88.7	173.6	-68.1	-173.4	147.1	0	0	108.6	K300 A304	K300-E302 PolarHBondContact O-N 3.46Å; E302-A304 PolarHBondContact O-N 3.09Å; E302-A304 VanDerWaalsContact O-N 3.09Å
303	K	47.4	Very low	70.4	Confident	177 Å²	177	102.3 Å²	102.3	77%	0.77	53%	0.527	S	S	*	.			trans	-56.2	117.1	165	-69.3	-176.3	177.5	-177.8	0	106	L301 Q305	L301-K303 PolarHBondContact O-N 2.76Å; K303-Q305 WeakPolarHBondContact O-CA 3.28Å; K303-Q305 PolarHBondContact O-N 2.77Å
304	A	49.2	Very low	70.4	Confident	100 Å²	100	100 Å²	100	83%	0.826	50%	0.504	S	S	*	.			trans	-45.6	107.6	174	0	0	0	0	0	108.2	E302 K306	E302-A304 PolarHBondContact O-N 3.09Å; E302-A304 VanDerWaalsContact O-N 3.09Å; A304-K306 PolarHBondContact O-N 3.06Å
305	Q	62.9	Low	70.3	Confident	141 Å²	141	100.9 Å²	100.9	66%	0.659	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-84.4	116.3	-156.7	-142.6	179.5	29.2	0	0	107.5	K303	K303-Q305 WeakPolarHBondContact O-CA 3.28Å; K303-Q305 PolarHBondContact O-N 2.77Å
306	K	75.8	Confident	70.4	Confident	184 Å²	184	99.4 Å²	99.4	80%	0.8	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-48.9	136.9	-177.3	-69.7	-167.7	173.3	-165.1	0	110.4	A304	A304-K306 PolarHBondContact O-N 3.06Å
307	P	85.4	Confident	71.1	Confident	31 Å²	31	95.3 Å²	95.3	20%	0.201	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-59.9	157.7	174.9	25.1	-33.5	0	0	0	111.1	S309 E521 M522	P307-S309 PolarHBondContact O-N 3.19Å; P307-E521 HydrophobicContact CB-CB 4.12Å; P307-E521 HydrophobicContact CG-CB 4.39Å; P307-E521 VanDerWaalsContact CG-CD 3.46Å; P307-E521 HydrophobicContact CG-CG 4.34Å; P307-E521 WeakPolarHBondContact CG-OE1 3.35Å; P307-M522 WeakPolarHBondContact CA-O 3.35Å
308	L	90.1	Very high	72.4	Confident	41 Å²	41	90.4 Å²	90.4	22%	0.215	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	91.4	170.7	-58.5	-173.5	0	0	0	108.2	M522 M533 N534 R537	L308-M522 HydrophobicContact CB-CB 4.45Å; L308-M522 PolarHBondContact N-O 3.14Å; L308-M522 PolarHBondContact O-N 3.41Å; L308-M522 VanDerWaalsContact O-N 3.07Å; L308-M533 HydrophobicContact CB-CE 4.24Å; L308-M533 HydrophobicContact CD1-CE 3.49Å; L308-M533 VanDerWaalsContact CD1-CE 3.49Å; L308-M533 HydrophobicContact CG-CE 3.68Å; L308-N534 HydrophobicContact CD1-CB 3.59Å; L308-R537 HydrophobicContact CB-CG 4.12Å
309	S	91.8	Very high	74.3	Confident	51 Å²	51	82.7 Å²	82.7	36%	0.357	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	161.5	-176.4	63.2	0	0	0	0	114.1	P307 V520 R537	P307-S309 PolarHBondContact O-N 3.19Å; S309-V520 CarbonylContact C-O 3.35Å; S309-V520 WeakPolarHBondContact CA-O 3.2Å; S309-R537 PolarHBondContact O-NE 3.5Å; S309-R537 VanDerWaalsContact O-NE 3.12Å; S309-R537 PolarHBondContact O-NH2 3.29Å
310	F	92.4	Very high	76	Confident	6 Å²	6	76.8 Å²	76.8	3%	0.026	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	140.6	159.2	63.9	-88.8	0	0	0	110.9	L312 V520 R537 L540 R541 L544	F310-L312 HydrophobicContact CD2-CD2 4.23Å; F310-L312 HydrophobicContact CD2-CG 4.24Å; F310-L312 HydrophobicContact CE2-CD1 4.24Å; F310-L312 HydrophobicContact CE2-CD2 3.99Å; F310-L312 HydrophobicContact CE2-CG 4.03Å; F310-V520 HydrophobicContact CD1-CB 4.17Å; F310-V520 HydrophobicContact CD1-CG1 4.45Å; F310-V520 HydrophobicContact CD2-CB 4.29Å; F310-V520 HydrophobicContact CE1-CB 3.77Å; F310-V520 HydrophobicContact CE1-CG1 3.71Å; F310-V520 HydrophobicContact CE2-CB 3.89Å; F310-V520 HydrophobicContact CE2-CG1 4.49Å; F310-V520 HydrophobicContact CE2-CG2 3.88Å; F310-V520 HydrophobicContact CG-CB 4.43Å; F310-V520 HydrophobicContact CZ-CB 3.63Å; F310-V520 HydrophobicContact CZ-CG1 3.74Å; F310-V520 HydrophobicContact CZ-CG2 3.9Å; F310-V520 PolarHBondContact N-O 2.94Å; F310-V520 PolarHBondContact O-N 3.2Å; F310-R537 HydrophobicContact CD1-CG 3.99Å; F310-R537 HydrophobicContact CE1-CG 4.35Å; F310-L540 HydrophobicContact CE1-CB 4.49Å; F310-L540 HydrophobicContact CZ-CB 4.38Å; F310-R541 HydrophobicContact CB-CB 4.44Å; F310-R541 HydrophobicContact CB-CG 4.02Å; F310-R541 HydrophobicContact CD1-CB 3.88Å; F310-R541 HydrophobicContact CD1-CG 4.35Å; F310-R541 HydrophobicContact CD2-CB 3.85Å; F310-R541 HydrophobicContact CD2-CG 3.65Å; F310-R541 HydrophobicContact CE1-CB 3.99Å; F310-R541 HydrophobicContact CE2-CB 3.98Å; F310-R541 HydrophobicContact CE2-CG 4.17Å; F310-R541 HydrophobicContact CG-CB 3.79Å; F310-R541 HydrophobicContact CG-CG 3.75Å; F310-R541 HydrophobicContact CZ-CB 4.04Å; F310-L544 HydrophobicContact CE2-CD1 4.27Å; F310-L544 HydrophobicContact CZ-CD1 4.37Å
311	T	92.3	Very high	78	Confident	54 Å²	54	70.2 Å²	70.2	33%	0.331	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	146.1	175.1	-48	0	0	0	0	110.8	E514 D517	T311-E514 WeakPolarHBondContact CB-OE2 3.24Å; T311-E514 WeakPolarHBondContact CG2-OE2 3.48Å; T311-E514 PolarHBondContact OG1-OE2 3.44Å; T311-D517 HydrophobicContact CG2-CB 3.56Å
312	L	89.4	Confident	79.7	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.3	172.7	-65.5	166.4	0	0	0	108.4	F310 V317 L320 I340 D517 V518 V520 L544 L545	F310-L312 HydrophobicContact CD2-CD2 4.23Å; F310-L312 HydrophobicContact CD2-CG 4.24Å; F310-L312 HydrophobicContact CE2-CD1 4.24Å; F310-L312 HydrophobicContact CE2-CD2 3.99Å; F310-L312 HydrophobicContact CE2-CG 4.03Å; L312-V317 HydrophobicContact CB-CG2 4.06Å; L312-V317 VanDerWaalsContact O-CG2 3.3Å; L312-V317 WeakPolarHBondContact O-CG2 3.25Å; L312-L320 HydrophobicContact CD1-CD1 4.36Å; L312-L320 HydrophobicContact CD2-CD1 4.44Å; L312-I340 HydrophobicContact CD1-CD1 3.84Å; L312-I340 HydrophobicContact CD1-CG1 4.29Å; L312-I340 HydrophobicContact CD1-CG2 3.86Å; L312-D517 WeakPolarHBondContact O-CA 3.41Å; L312-D517 WeakPolarHBondContact O-CB 3.42Å; L312-V518 WeakPolarHBondContact CB-O 3.49Å; L312-V518 PolarHBondContact N-O 2.99Å; L312-V518 PolarHBondContact O-N 2.98Å; L312-V520 HydrophobicContact CD1-CG2 4.17Å; L312-L544 HydrophobicContact CD1-CD1 3.82Å; L312-L544 HydrophobicContact CD2-CB 4.1Å; L312-L544 HydrophobicContact CD2-CD1 4.43Å; L312-L545 HydrophobicContact CD2-CD2 3.78Å; L312-L545 HydrophobicContact CD2-CG 4.19Å
313	P	88.7	Confident	81.3	Confident	67 Å²	67	64.1 Å²	64.1	44%	0.435	35%	0.353	S	S	.	.			trans	-63.6	146	-179.2	-25.2	35.5	0	0	0	113.6	A315 G316 V317 D517	P313-A315 PolarHBondContact O-N 3.3Å; P313-G316 WeakPolarHBondContact O-CA 3.24Å; P313-G316 PolarHBondContact O-N 2.67Å; P313-V317 PolarHBondContact O-N 2.72Å; P313-D517 VanDerWaalsContact CA-OD1 3.3Å; P313-D517 WeakPolarHBondContact CA-OD1 3.21Å
314	E	85.8	Confident	83	Confident	66 Å²	66	55.7 Å²	55.7	31%	0.308	32%	0.316	S	S	.	.	H	α-helix	trans	-41.2	-45.4	-179	-171.6	-163.6	138.4	0	0	114	G316 V317 K318 N516 D517	E314-G316 VanDerWaalsContact C-N 3.33Å; E314-G316 PolarHBondContact O-N 2.92Å; E314-V317 WeakPolarHBondContact O-CB 3.48Å; E314-V317 PolarHBondContact O-N 3.25Å; E314-K318 HydrophobicContact CG-CD 4.48Å; E314-K318 PolarHBondContact O-N 3.38Å; E314-K318 WeakPolarHBondContact OE1-CE 3.34Å; E314-K318 IonicContact OE1-NZ 2.81Å; E314-K318 PolarHBondContact OE1-NZ 2.61Å; E314-N516 HydrophobicContact CB-CB 4.07Å; E314-N516 HydrophobicContact CG-CB 3.96Å; E314-N516 VanDerWaalsContact OE2-CB 3.31Å; E314-N516 WeakPolarHBondContact OE2-CB 3.41Å; E314-N516 PolarHBondContact OE2-ND2 3.05Å; E314-D517 PolarHBondContact N-OD1 3.21Å
315	A	83	Confident	84.5	Confident	78 Å²	78	53.5 Å²	53.5	65%	0.645	30%	0.295	S	S	*	.	H	α-helix	trans	-60.2	-40.6	179.1	0	0	0	0	0	112.8	P313	P313-A315 PolarHBondContact O-N 3.3Å
316	G	83.9	Confident	85.3	Confident	7 Å²	7	51.2 Å²	51.2	7%	0.072	30%	0.3	C	S	.	.	H	α-helix	trans	-76.6	-32.3	174.6	0	0	0	0	0	113	P313 E314 K318 E319 L320	P313-G316 WeakPolarHBondContact O-CA 3.24Å; P313-G316 PolarHBondContact O-N 2.67Å; E314-G316 VanDerWaalsContact C-N 3.33Å; E314-G316 PolarHBondContact O-N 2.92Å; G316-K318 VanDerWaalsContact C-N 3.34Å; G316-K318 PolarHBondContact O-N 2.95Å; G316-E319 PolarHBondContact O-N 3.27Å; G316-L320 WeakPolarHBondContact O-CB 3.37Å; G316-L320 WeakPolarHBondContact O-CG 3.44Å; G316-L320 PolarHBondContact O-N 2.85Å
317	V	85.7	Confident	85.2	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-46.8	174.3	174.2	0	0	0	0	110.5	L312 P313 E314 E319 L320 Q321 I340 V518	L312-V317 HydrophobicContact CB-CG2 4.06Å; L312-V317 VanDerWaalsContact O-CG2 3.3Å; L312-V317 WeakPolarHBondContact O-CG2 3.25Å; P313-V317 PolarHBondContact O-N 2.72Å; E314-V317 WeakPolarHBondContact O-CB 3.48Å; E314-V317 PolarHBondContact O-N 3.25Å; V317-E319 PolarHBondContact O-N 3.38Å; V317-L320 PolarHBondContact O-N 3.29Å; V317-Q321 HydrophobicContact CG1-CG 4.49Å; V317-Q321 WeakPolarHBondContact O-CG 3.41Å; V317-Q321 PolarHBondContact O-N 3.13Å; V317-I340 HydrophobicContact CB-CD1 4.44Å; V317-I340 HydrophobicContact CG1-CD1 4.04Å; V317-I340 HydrophobicContact CG2-CD1 4.02Å; V317-V518 HydrophobicContact CG1-CG2 4.2Å; V317-V518 HydrophobicContact CG2-CB 4.2Å; V317-V518 HydrophobicContact CG2-CG2 4.02Å
318	K	84.6	Confident	84.6	Confident	118 Å²	118	46.2 Å²	46.2	51%	0.513	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-43.2	179.3	-74.1	169.5	171.3	173.4	0	113.1	E314 G316 Q321 A322	E314-K318 HydrophobicContact CG-CD 4.48Å; E314-K318 PolarHBondContact O-N 3.38Å; E314-K318 WeakPolarHBondContact OE1-CE 3.34Å; E314-K318 IonicContact OE1-NZ 2.81Å; E314-K318 PolarHBondContact OE1-NZ 2.61Å; G316-K318 VanDerWaalsContact C-N 3.34Å; G316-K318 PolarHBondContact O-N 2.95Å; K318-Q321 PolarHBondContact O-N 3.31Å; K318-A322 PolarHBondContact O-N 2.79Å; K318-A322 VanDerWaalsContact O-N 3.17Å
319	E	84.3	Confident	83.5	Confident	40 Å²	40	46.4 Å²	46.4	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-69.8	-36.2	176.9	-164.7	-176.8	155.8	0	0	112.2	G316 V317 A322 K323 S547 V548	G316-E319 PolarHBondContact O-N 3.27Å; V317-E319 PolarHBondContact O-N 3.38Å; E319-A322 PolarHBondContact O-N 3.14Å; E319-K323 HydrophobicContact CG-CD 4.34Å; E319-K323 PolarHBondContact O-N 3.03Å; E319-K323 IonicContact OE1-NZ 2.73Å; E319-K323 PolarHBondContact OE1-NZ 3.48Å; E319-S547 VanDerWaalsContact OE1-O 3.12Å; E319-V548 WeakPolarHBondContact OE2-CA 3.36Å; E319-V548 WeakPolarHBondContact OE2-CG1 3.43Å
320	L	84.8	Confident	82.2	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-36.9	174.1	-69.7	169.7	0	0	0	111.8	L312 G316 V317 K323 A324 L343 L544 V548	L312-L320 HydrophobicContact CD1-CD1 4.36Å; L312-L320 HydrophobicContact CD2-CD1 4.44Å; G316-L320 WeakPolarHBondContact O-CB 3.37Å; G316-L320 WeakPolarHBondContact O-CG 3.44Å; G316-L320 PolarHBondContact O-N 2.85Å; V317-L320 PolarHBondContact O-N 3.29Å; L320-K323 CarbonylContact O-C 3.59Å; L320-K323 PolarHBondContact O-N 2.78Å; L320-A324 WeakPolarHBondContact O-CB 3.35Å; L320-A324 PolarHBondContact O-N 3.27Å; L320-L343 HydrophobicContact CB-CD1 3.98Å; L320-L343 HydrophobicContact CD2-CD1 4Å; L320-L343 WeakPolarHBondContact O-CD1 3.36Å; L320-L544 HydrophobicContact CD1-CB 4.13Å; L320-L544 HydrophobicContact CD1-CD2 4.42Å; L320-L544 HydrophobicContact CD2-CB 4.47Å; L320-L544 HydrophobicContact CD2-CD2 4.05Å; L320-V548 HydrophobicContact CG-CG2 4.26Å
321	Q	85.5	Confident	80.8	Confident	50 Å²	50	47.9 Å²	47.9	23%	0.234	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-45.7	172.1	-72.5	175.9	-76.3	0	0	111.7	V317 K318 K323 A324 S325 S336	V317-Q321 HydrophobicContact CG1-CG 4.49Å; V317-Q321 WeakPolarHBondContact O-CG 3.41Å; V317-Q321 PolarHBondContact O-N 3.13Å; K318-Q321 PolarHBondContact O-N 3.31Å; Q321-K323 VanDerWaalsContact C-N 3.28Å; Q321-K323 PolarHBondContact O-N 2.77Å; Q321-A324 PolarHBondContact O-N 3.1Å; Q321-S325 PolarHBondContact O-N 2.96Å; Q321-S325 PolarHBondContact O-OG 2.86Å; Q321-S325 VanDerWaalsContact O-OG 3.1Å; Q321-S336 PolarHBondContact NE2-OG 2.84Å
322	A	82.8	Confident	79.2	Confident	60 Å²	60	51.4 Å²	51.4	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-59.3	-39.9	174.5	0	0	0	0	0	112	K318 E319 S325 A326	K318-A322 PolarHBondContact O-N 2.79Å; K318-A322 VanDerWaalsContact O-N 3.17Å; E319-A322 PolarHBondContact O-N 3.14Å; A322-S325 PolarHBondContact O-N 2.81Å; A322-A326 WeakPolarHBondContact O-CB 3.45Å; A322-A326 PolarHBondContact O-N 2.81Å
323	K	81.3	Confident	78	Confident	71 Å²	71	56.3 Å²	56.3	31%	0.309	38%	0.378	S	S	.	.	H	α-helix	trans	-73.5	-30.6	177.6	-78.3	167	171.5	161.9	0	113.6	E319 L320 Q321 A327 S547 K550	E319-K323 HydrophobicContact CG-CD 4.34Å; E319-K323 PolarHBondContact O-N 3.03Å; E319-K323 IonicContact OE1-NZ 2.73Å; E319-K323 PolarHBondContact OE1-NZ 3.48Å; L320-K323 CarbonylContact O-C 3.59Å; L320-K323 PolarHBondContact O-N 2.78Å; Q321-K323 VanDerWaalsContact C-N 3.28Å; Q321-K323 PolarHBondContact O-N 2.77Å; K323-A327 WeakPolarHBondContact O-CB 3.19Å; K323-A327 PolarHBondContact O-N 2.83Å; K323-S547 PolarHBondContact NZ-O 2.9Å; K323-K550 PolarHBondContact NZ-O 2.8Å
324	A	82.4	Confident	77.2	Confident	0 Å²	0	55 Å²	55	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.6	-43.9	170.8	0	0	0	0	0	111.5	L320 Q321 A327 G328 C329 C330 L343	L320-A324 WeakPolarHBondContact O-CB 3.35Å; L320-A324 PolarHBondContact O-N 3.27Å; Q321-A324 PolarHBondContact O-N 3.1Å; A324-A327 PolarHBondContact O-N 2.77Å; A324-G328 PolarHBondContact O-N 2.81Å; A324-C329 PolarHBondContact O-N 2.86Å; A324-C330 HydrophobicContact CB-CB 4.48Å; A324-L343 HydrophobicContact CB-CD1 4.1Å; A324-L343 HydrophobicContact CB-CD2 4.3Å; A324-L343 HydrophobicContact CB-CG 3.95Å
325	S	81.8	Confident	77.2	Confident	54 Å²	54	54.3 Å²	54.3	38%	0.378	37%	0.373	S	S	.	.	H	α-helix	trans	-63.3	-49.4	174.8	-58	0	0	0	0	111.9	Q321 A322 A327 G328	Q321-S325 PolarHBondContact O-N 2.96Å; Q321-S325 PolarHBondContact O-OG 2.86Å; Q321-S325 VanDerWaalsContact O-OG 3.1Å; A322-S325 PolarHBondContact O-N 2.81Å; S325-A327 PolarHBondContact O-N 2.88Å; S325-G328 PolarHBondContact O-N 3.48Å
326	A	78.8	Confident	77.3	Confident	92 Å²	92	52.5 Å²	52.5	76%	0.76	36%	0.356	S	S	*	.	H	α-helix	trans	-65.2	-24.4	178.6	0	0	0	0	0	113.6	A322 G328	A322-A326 WeakPolarHBondContact O-CB 3.45Å; A322-A326 PolarHBondContact O-N 2.81Å; A326-G328 VanDerWaalsContact C-N 3.3Å
327	A	74.2	Confident	77.5	Confident	42 Å²	42	52.7 Å²	52.7	35%	0.347	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.3	173.9	0	0	0	0	0	113.9	K323 A324 S325 C329	K323-A327 WeakPolarHBondContact O-CB 3.19Å; K323-A327 PolarHBondContact O-N 2.83Å; A324-A327 PolarHBondContact O-N 2.77Å; S325-A327 PolarHBondContact O-N 2.88Å; A327-C329 PolarHBondContact O-N 2.74Å; A327-C329 PolarHBondContact O-SG 2.96Å
328	G	73.9	Confident	77.6	Confident	69 Å²	69	54.7 Å²	54.7	71%	0.711	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	17.4	-176.3	0	0	0	0	0	114.1	A324 S325 A326	A324-G328 PolarHBondContact O-N 2.81Å; S325-G328 PolarHBondContact O-N 3.48Å; A326-G328 VanDerWaalsContact C-N 3.3Å
329	C	66.4	Low	77.8	Confident	45 Å²	45	49.2 Å²	49.2	30%	0.304	34%	0.343	S	S	.	.	S	Bend	trans	-87.6	-22.6	-173.3	-60.3	0	0	0	0	113.4	A324 A327 A342	A324-C329 PolarHBondContact O-N 2.86Å; A327-C329 PolarHBondContact O-N 2.74Å; A327-C329 PolarHBondContact O-SG 2.96Å; C329-A342 HydrophobicContact CB-CB 3.95Å
330	C	64.3	Low	78.1	Confident	23 Å²	23	47.3 Å²	47.3	16%	0.155	33%	0.334	C	S	.	.	S	Bend	trans	-143.6	155.4	179.8	-74.8	0	0	0	0	111.4	A324 C334	A324-C330 HydrophobicContact CB-CB 4.48Å; C330-C334 HydrophobicContact CB-CB 3.81Å
331	S	63.6	Low	78.4	Confident	64 Å²	64	47.2 Å²	47.2	45%	0.448	33%	0.333	S	S	.	.			trans	-80.8	162.6	166.2	59	0	0	0	0	111	S333 C334	S331-S333 PolarHBondContact O-N 2.79Å; S331-S333 PolarHBondContact OG-OG 2.71Å; S331-C334 PolarHBondContact N-SG 2.83Å; S331-C334 WeakPolarHBondContact O-CB 3.46Å; S331-C334 PolarHBondContact O-N 3.37Å; S331-C334 VanDerWaalsContact O-N 3.08Å; S331-C334 PolarHBondContact OG-SG 2.8Å; S331-C334 VanDerWaalsContact OG-SG 3.36Å
332	S	59	Low	78.6	Confident	128 Å²	128	45.3 Å²	45.3	90%	0.895	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-4.9	175.5	49.2	0	0	0	0	115
333	S	62.4	Low	79	Confident	104 Å²	104	43.4 Å²	43.4	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.4	176.1	55.1	0	0	0	0	114.4	S331	S331-S333 PolarHBondContact O-N 2.79Å; S331-S333 PolarHBondContact OG-OG 2.71Å
334	C	72.4	Confident	79.5	Confident	39 Å²	39	40 Å²	40	26%	0.264	29%	0.293	S	S	.	.			trans	-73.8	147.3	178.1	-70.9	0	0	0	0	112.2	C330 S331 D338	C330-C334 HydrophobicContact CB-CB 3.81Å; S331-C334 PolarHBondContact N-SG 2.83Å; S331-C334 WeakPolarHBondContact O-CB 3.46Å; S331-C334 PolarHBondContact O-N 3.37Å; S331-C334 VanDerWaalsContact O-N 3.08Å; S331-C334 PolarHBondContact OG-SG 2.8Å; S331-C334 VanDerWaalsContact OG-SG 3.36Å; C334-D338 HydrophobicContact CB-CB 4.06Å
335	S	85.3	Confident	80	Confident	52 Å²	52	41.6 Å²	41.6	36%	0.364	30%	0.3	S	S	.	.			trans	-71.3	167.1	175.9	75.1	0	0	0	0	112.2	V337 D338 S339	S335-V337 PolarHBondContact O-N 2.81Å; S335-V337 PolarHBondContact OG-N 2.93Å; S335-D338 VanDerWaalsContact CB-OD2 3.25Å; S335-D338 WeakPolarHBondContact CB-OD2 3.43Å; S335-D338 PolarHBondContact N-OD2 2.69Å; S335-D338 PolarHBondContact O-N 2.91Å; S335-D338 PolarHBondContact OG-N 3.08Å; S335-D338 VanDerWaalsContact OG-N 3.09Å; S335-D338 PolarHBondContact OG-OD2 2.83Å; S335-S339 WeakPolarHBondContact O-CB 3.46Å; S335-S339 PolarHBondContact O-N 3.09Å; S335-S339 PolarHBondContact O-OG 3.07Å
336	S	85.6	Confident	80.5	Confident	41 Å²	41	43.2 Å²	43.2	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-56	-38.3	170.8	-51.6	0	0	0	0	112.2	Q321 I340	Q321-S336 PolarHBondContact NE2-OG 2.84Å; S336-I340 WeakPolarHBondContact O-CB 3.4Å; S336-I340 WeakPolarHBondContact O-CG1 3.24Å; S336-I340 PolarHBondContact O-N 2.58Å
337	V	88.8	Confident	81.1	Confident	11 Å²	11	39.4 Å²	39.4	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-47.7	179	179.2	0	0	0	0	110.4	S335 S339 I340 T341 Q365 V511 P513	S335-V337 PolarHBondContact O-N 2.81Å; S335-V337 PolarHBondContact OG-N 2.93Å; V337-S339 PolarHBondContact O-N 3.33Å; V337-I340 PolarHBondContact O-N 2.98Å; V337-T341 WeakPolarHBondContact O-CB 3.35Å; V337-T341 PolarHBondContact O-N 3.31Å; V337-T341 PolarHBondContact O-OG1 3.33Å; V337-Q365 HydrophobicContact CG1-CB 3.98Å; V337-Q365 HydrophobicContact CG1-CG 3.76Å; V337-V511 HydrophobicContact CB-CG1 4.49Å; V337-V511 HydrophobicContact CG1-CB 4.01Å; V337-V511 HydrophobicContact CG1-CG1 3.88Å; V337-V511 WeakPolarHBondContact CG1-O 3.47Å; V337-P513 HydrophobicContact CG2-CB 4.34Å
338	D	88.1	Confident	82	Confident	43 Å²	43	37.4 Å²	37.4	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-44.4	176.7	-56.1	-52.5	0	0	0	111.4	C334 S335 I340 T341 A342 Q365	C334-D338 HydrophobicContact CB-CB 4.06Å; S335-D338 VanDerWaalsContact CB-OD2 3.25Å; S335-D338 WeakPolarHBondContact CB-OD2 3.43Å; S335-D338 PolarHBondContact N-OD2 2.69Å; S335-D338 PolarHBondContact O-N 2.91Å; S335-D338 PolarHBondContact OG-N 3.08Å; S335-D338 VanDerWaalsContact OG-N 3.09Å; S335-D338 PolarHBondContact OG-OD2 2.83Å; D338-I340 PolarHBondContact O-N 2.86Å; D338-T341 WeakPolarHBondContact O-CB 3.14Å; D338-T341 PolarHBondContact O-N 3.45Å; D338-A342 PolarHBondContact O-N 3.19Å; D338-Q365 PolarHBondContact OD1-NE2 3.42Å
339	S	88.3	Confident	82.8	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.028	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-44	-179.1	-56.2	0	0	0	0	112.2	S335 V337 L343	S335-S339 WeakPolarHBondContact O-CB 3.46Å; S335-S339 PolarHBondContact O-N 3.09Å; S335-S339 PolarHBondContact O-OG 3.07Å; V337-S339 PolarHBondContact O-N 3.33Å; S339-L343 WeakPolarHBondContact O-CG 3.2Å; S339-L343 PolarHBondContact O-N 2.77Å
340	I	90.1	Very high	84	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-72	-35.9	176.8	-73.9	163.1	0	0	0	110.8	L312 V317 S336 V337 D338 L343 L344 V511 V518 V520 L544	L312-I340 HydrophobicContact CD1-CD1 3.84Å; L312-I340 HydrophobicContact CD1-CG1 4.29Å; L312-I340 HydrophobicContact CD1-CG2 3.86Å; V317-I340 HydrophobicContact CB-CD1 4.44Å; V317-I340 HydrophobicContact CG1-CD1 4.04Å; V317-I340 HydrophobicContact CG2-CD1 4.02Å; S336-I340 WeakPolarHBondContact O-CB 3.4Å; S336-I340 WeakPolarHBondContact O-CG1 3.24Å; S336-I340 PolarHBondContact O-N 2.58Å; V337-I340 PolarHBondContact O-N 2.98Å; D338-I340 PolarHBondContact O-N 2.86Å; I340-L343 PolarHBondContact O-N 3.46Å; I340-L344 HydrophobicContact CG2-CD1 3.96Å; I340-L344 HydrophobicContact CG2-CG 4.5Å; I340-L344 WeakPolarHBondContact O-CB 3.37Å; I340-L344 VanDerWaalsContact O-CG 3.3Å; I340-L344 WeakPolarHBondContact O-CG 3.4Å; I340-L344 PolarHBondContact O-N 3.11Å; I340-V511 HydrophobicContact CB-CG1 4.29Å; I340-V511 HydrophobicContact CG2-CG1 3.88Å; I340-V518 HydrophobicContact CD1-CB 3.71Å; I340-V518 HydrophobicContact CD1-CG1 3.8Å; I340-V518 HydrophobicContact CD1-CG2 3.86Å; I340-V518 HydrophobicContact CG2-CG1 4.47Å; I340-V520 HydrophobicContact CG2-CG2 4.31Å; I340-L544 HydrophobicContact CG2-CD1 4.41Å
341	T	91.2	Very high	85.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-47.5	174.4	-58.6	0	0	0	0	111.4	V337 D338 L343 L344 E345 Q365 L367 V511	V337-T341 WeakPolarHBondContact O-CB 3.35Å; V337-T341 PolarHBondContact O-N 3.31Å; V337-T341 PolarHBondContact O-OG1 3.33Å; D338-T341 WeakPolarHBondContact O-CB 3.14Å; D338-T341 PolarHBondContact O-N 3.45Å; T341-L343 VanDerWaalsContact C-N 3.35Å; T341-L343 PolarHBondContact O-N 3.06Å; T341-L344 CarbonylContact O-C 3.5Å; T341-L344 WeakPolarHBondContact O-CA 3.15Å; T341-L344 WeakPolarHBondContact O-CB 3.5Å; T341-L344 PolarHBondContact O-N 3.14Å; T341-L344 VanDerWaalsContact O-N 3.08Å; T341-E345 HydrophobicContact CG2-CG 4.39Å; T341-E345 WeakPolarHBondContact O-CG 3.36Å; T341-E345 PolarHBondContact O-N 2.83Å; T341-Q365 HydrophobicContact CG2-CB 3.94Å; T341-Q365 HydrophobicContact CG2-CG 4.41Å; T341-Q365 VanDerWaalsContact OG1-CB 3.24Å; T341-Q365 WeakPolarHBondContact OG1-CB 3.43Å; T341-L367 HydrophobicContact CG2-CD1 4.24Å; T341-L367 HydrophobicContact CG2-CD2 4.14Å; T341-L367 HydrophobicContact CG2-CG 4.28Å; T341-V511 WeakPolarHBondContact OG1-CG2 3.49Å
342	A	90.4	Very high	86.5	Confident	10 Å²	10	46.4 Å²	46.4	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-36.5	179.7	0	0	0	0	0	112.6	C329 D338 L344 E345 K346	C329-A342 HydrophobicContact CB-CB 3.95Å; D338-A342 PolarHBondContact O-N 3.19Å; A342-L344 VanDerWaalsContact C-N 3.35Å; A342-E345 PolarHBondContact O-N 2.84Å; A342-K346 WeakPolarHBondContact O-CB 3.47Å; A342-K346 PolarHBondContact O-N 3.23Å
343	L	90.2	Very high	88.1	Confident	20 Å²	20	40.4 Å²	40.4	11%	0.105	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-35.2	171.4	-72.3	175.7	0	0	0	112.7	L320 A324 S339 I340 T341 T347 L544	L320-L343 HydrophobicContact CB-CD1 3.98Å; L320-L343 HydrophobicContact CD2-CD1 4Å; L320-L343 WeakPolarHBondContact O-CD1 3.36Å; A324-L343 HydrophobicContact CB-CD1 4.1Å; A324-L343 HydrophobicContact CB-CD2 4.3Å; A324-L343 HydrophobicContact CB-CG 3.95Å; S339-L343 WeakPolarHBondContact O-CG 3.2Å; S339-L343 PolarHBondContact O-N 2.77Å; I340-L343 PolarHBondContact O-N 3.46Å; T341-L343 VanDerWaalsContact C-N 3.35Å; T341-L343 PolarHBondContact O-N 3.06Å; L343-T347 WeakPolarHBondContact O-CB 3.3Å; L343-T347 PolarHBondContact O-N 2.87Å; L343-T347 PolarHBondContact O-OG1 3.4Å; L343-L544 HydrophobicContact CB-CD2 4.19Å; L343-L544 HydrophobicContact CD1-CD2 4.49Å
344	L	92.6	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.2	-46.6	173.2	-74.1	168.1	0	0	0	111.4	I340 T341 A342 K346 T347 L348 L509 V511 V520 L540 L544	I340-L344 HydrophobicContact CG2-CD1 3.96Å; I340-L344 HydrophobicContact CG2-CG 4.5Å; I340-L344 WeakPolarHBondContact O-CB 3.37Å; I340-L344 VanDerWaalsContact O-CG 3.3Å; I340-L344 WeakPolarHBondContact O-CG 3.4Å; I340-L344 PolarHBondContact O-N 3.11Å; T341-L344 CarbonylContact O-C 3.5Å; T341-L344 WeakPolarHBondContact O-CA 3.15Å; T341-L344 WeakPolarHBondContact O-CB 3.5Å; T341-L344 PolarHBondContact O-N 3.14Å; T341-L344 VanDerWaalsContact O-N 3.08Å; A342-L344 VanDerWaalsContact C-N 3.35Å; L344-K346 VanDerWaalsContact C-N 3.33Å; L344-K346 PolarHBondContact O-N 3.41Å; L344-T347 CarbonylContact O-C 3.55Å; L344-T347 PolarHBondContact O-N 2.84Å; L344-T347 VanDerWaalsContact O-N 3.12Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 WeakPolarHBondContact O-CD1 3.44Å; L344-L348 WeakPolarHBondContact O-CG 3.34Å; L344-L348 PolarHBondContact O-N 3.27Å; L344-L509 HydrophobicContact CD1-CD2 4.06Å; L344-V511 HydrophobicContact CD1-CG2 3.76Å; L344-V520 HydrophobicContact CD1-CG1 4.15Å; L344-V520 HydrophobicContact CD1-CG2 4.23Å; L344-L540 HydrophobicContact CD2-CB 4.08Å; L344-L540 HydrophobicContact CD2-CD1 4.22Å; L344-L540 HydrophobicContact CD2-CD2 3.94Å; L344-L540 HydrophobicContact CD2-CG 4.29Å; L344-L544 HydrophobicContact CD2-CD1 3.89Å; L344-L544 HydrophobicContact CG-CD1 4.21Å
345	E	92.8	Very high	90.6	Very high	32 Å²	32	40.2 Å²	40.2	15%	0.15	20%	0.204	C	C	.	.	H	α-helix	trans	-56	-45.1	174.3	-70.9	177.5	134.7	0	0	111.3	T341 A342 L348 T349 H355 R357 L367	T341-E345 HydrophobicContact CG2-CG 4.39Å; T341-E345 WeakPolarHBondContact O-CG 3.36Å; T341-E345 PolarHBondContact O-N 2.83Å; A342-E345 PolarHBondContact O-N 2.84Å; E345-L348 PolarHBondContact O-N 3.07Å; E345-T349 WeakPolarHBondContact O-CB 3.25Å; E345-T349 PolarHBondContact O-N 2.76Å; E345-T349 PolarHBondContact O-OG1 2.96Å; E345-H355 PolarHBondContact O-CE1 2.87Å; E345-R357 WeakPolarHBondContact OE1-CG 3.47Å; E345-R357 IonicContact OE1-CZ 2.74Å; E345-R357 IonicContact OE1-NE 2.73Å; E345-R357 PolarHBondContact OE1-NE 3.29Å; E345-R357 IonicContact OE1-NH2 3.84Å; E345-R357 IonicContact OE2-CZ 3.22Å; E345-R357 IonicContact OE2-NE 3.18Å; E345-R357 IonicContact OE2-NH2 2.77Å; E345-R357 PolarHBondContact OE2-NH2 3Å; E345-L367 HydrophobicContact CG-CD1 3.7Å; E345-L367 HydrophobicContact CG-CD2 3.88Å; E345-L367 HydrophobicContact CG-CG 4.47Å; E345-L367 WeakPolarHBondContact OE1-CD2 3.05Å
346	K	91.9	Very high	90.9	Very high	88 Å²	88	45.6 Å²	45.6	38%	0.383	22%	0.221	S	C	.	.	H	α-helix	trans	-59.4	-49	172.2	-178.2	173.6	-179.8	173	0	112.3	A342 L344 L348 T349 E350	A342-K346 WeakPolarHBondContact O-CB 3.47Å; A342-K346 PolarHBondContact O-N 3.23Å; L344-K346 VanDerWaalsContact C-N 3.33Å; L344-K346 PolarHBondContact O-N 3.41Å; K346-L348 VanDerWaalsContact C-N 3.31Å; K346-L348 PolarHBondContact O-N 3.05Å; K346-T349 WeakPolarHBondContact O-CB 3.25Å; K346-T349 PolarHBondContact O-N 2.94Å; K346-E350 WeakPolarHBondContact CE-OE1 3.4Å; K346-E350 PolarHBondContact O-N 3.4Å
347	T	91	Very high	91.1	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-37.7	179.6	-55	0	0	0	0	111.8	L343 L344 E350 L351 Y539 L540 T543	L343-T347 WeakPolarHBondContact O-CB 3.3Å; L343-T347 PolarHBondContact O-N 2.87Å; L343-T347 PolarHBondContact O-OG1 3.4Å; L344-T347 CarbonylContact O-C 3.55Å; L344-T347 PolarHBondContact O-N 2.84Å; L344-T347 VanDerWaalsContact O-N 3.12Å; T347-E350 PolarHBondContact O-N 3.21Å; T347-L351 HydrophobicContact CG2-CD1 4.28Å; T347-L351 WeakPolarHBondContact O-CB 3.34Å; T347-L351 VanDerWaalsContact O-CG 3.25Å; T347-L351 WeakPolarHBondContact O-CG 3.43Å; T347-L351 PolarHBondContact O-N 3.46Å; T347-Y539 HydrophobicContact CG2-CE1 4.1Å; T347-L540 HydrophobicContact CG2-CD2 3.67Å; T347-T543 HydrophobicContact CG2-CG2 4.12Å
348	L	93.5	Very high	90.9	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-37.8	176.1	-69.8	162.2	0	0	0	111.2	L344 E345 K346 L351 R352 V353 H355 L367 L369 L536 L540	L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 WeakPolarHBondContact O-CD1 3.44Å; L344-L348 WeakPolarHBondContact O-CG 3.34Å; L344-L348 PolarHBondContact O-N 3.27Å; E345-L348 PolarHBondContact O-N 3.07Å; K346-L348 VanDerWaalsContact C-N 3.31Å; K346-L348 PolarHBondContact O-N 3.05Å; L348-L351 CarbonylContact O-C 3.58Å; L348-L351 PolarHBondContact O-N 2.63Å; L348-R352 PolarHBondContact O-N 2.73Å; L348-V353 HydrophobicContact CB-CB 4.32Å; L348-V353 HydrophobicContact CD2-CB 3.79Å; L348-V353 HydrophobicContact CD2-CG1 3.8Å; L348-V353 HydrophobicContact CD2-CG2 4.28Å; L348-V353 PolarHBondContact O-N 2.73Å; L348-H355 HydrophobicContact CD1-CB 4.31Å; L348-L367 HydrophobicContact CD1-CD1 3.93Å; L348-L369 HydrophobicContact CD1-CD1 4.31Å; L348-L369 HydrophobicContact CD1-CD2 3.61Å; L348-L369 HydrophobicContact CD2-CD1 3.96Å; L348-L369 HydrophobicContact CD2-CD2 4.31Å; L348-L536 HydrophobicContact CD2-CD2 4.35Å; L348-L540 HydrophobicContact CD2-CD1 4.41Å; L348-L540 HydrophobicContact CD2-CD2 4.42Å
349	T	91.8	Very high	90.6	Very high	87 Å²	87	55.5 Å²	55.5	53%	0.534	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-49.4	171.8	-52.9	0	0	0	0	111.4	E345 K346 L351 R352 H355	E345-T349 WeakPolarHBondContact O-CB 3.25Å; E345-T349 PolarHBondContact O-N 2.76Å; E345-T349 PolarHBondContact O-OG1 2.96Å; K346-T349 WeakPolarHBondContact O-CB 3.25Å; K346-T349 PolarHBondContact O-N 2.94Å; T349-L351 PolarHBondContact O-N 3.36Å; T349-R352 PolarHBondContact O-N 3.49Å; T349-H355 PolarHBondContact OG1-CE1 3.13Å
350	E	89.8	Confident	90.1	Very high	126 Å²	126	57.9 Å²	57.9	59%	0.589	29%	0.287	S	S	*	.	H	α-helix	trans	-59.8	-33.1	175.9	-71.7	178.4	-157	0	0	112.4	K346 T347 R352	K346-E350 WeakPolarHBondContact CE-OE1 3.4Å; K346-E350 PolarHBondContact O-N 3.4Å; T347-E350 PolarHBondContact O-N 3.21Å; E350-R352 VanDerWaalsContact C-N 3.34Å
351	L	89.9	Confident	89.3	Confident	8 Å²	8	61 Å²	61	4%	0.042	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.4	173.9	-69	175.4	0	0	0	114	T347 L348 T349 V353 T375 W376 L536 Y539 L540	T347-L351 HydrophobicContact CG2-CD1 4.28Å; T347-L351 WeakPolarHBondContact O-CB 3.34Å; T347-L351 VanDerWaalsContact O-CG 3.25Å; T347-L351 WeakPolarHBondContact O-CG 3.43Å; T347-L351 PolarHBondContact O-N 3.46Å; L348-L351 CarbonylContact O-C 3.58Å; L348-L351 PolarHBondContact O-N 2.63Å; T349-L351 PolarHBondContact O-N 3.36Å; L351-V353 HydrophobicContact CB-CG2 4.03Å; L351-V353 PolarHBondContact O-N 2.87Å; L351-V353 VanDerWaalsContact O-N 3.13Å; L351-T375 WeakPolarHBondContact CA-OG1 3.44Å; L351-T375 WeakPolarHBondContact CB-OG1 3.46Å; L351-T375 WeakPolarHBondContact O-CB 3.44Å; L351-T375 VanDerWaalsContact O-CG2 3.31Å; L351-T375 WeakPolarHBondContact O-CG2 3.48Å; L351-T375 PolarHBondContact O-OG1 2.92Å; L351-W376 HydrophobicContact CD1-CB 4.25Å; L351-W376 HydrophobicContact CD2-CB 3.89Å; L351-L536 HydrophobicContact CD1-CD1 3.62Å; L351-Y539 HydrophobicContact CD1-CD1 3.74Å; L351-Y539 HydrophobicContact CD1-CE1 3.78Å; L351-Y539 HydrophobicContact CD2-CD1 4.46Å; L351-Y539 HydrophobicContact CD2-CE1 3.95Å; L351-Y539 HydrophobicContact CG-CE1 4.17Å; L351-L540 HydrophobicContact CD1-CD2 4.47Å
352	R	91.7	Very high	88.3	Confident	168 Å²	168	71 Å²	71	63%	0.634	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	25.4	-174.7	-54.7	165	171.8	-174.8	-5.7	114	L348 T349 E350 L354 E373	L348-R352 PolarHBondContact O-N 2.73Å; T349-R352 PolarHBondContact O-N 3.49Å; E350-R352 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 3.19Å; R352-E373 WeakPolarHBondContact CD-OE1 3.18Å; R352-E373 IonicContact CZ-OE1 2.6Å; R352-E373 IonicContact NE-OE1 2.69Å; R352-E373 IonicContact NH1-OE1 3.62Å; R352-E373 PolarHBondContact NH1-OE1 3.18Å; R352-E373 IonicContact NH1-OE2 2.73Å
353	V	92.7	Very high	87.7	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.012	39%	0.386	C	S	.	.			trans	-79.5	115.9	171.1	178.8	0	0	0	0	107.3	L348 L351 H355 L369 A371 W376 L536	L348-V353 HydrophobicContact CB-CB 4.32Å; L348-V353 HydrophobicContact CD2-CB 3.79Å; L348-V353 HydrophobicContact CD2-CG1 3.8Å; L348-V353 HydrophobicContact CD2-CG2 4.28Å; L348-V353 PolarHBondContact O-N 2.73Å; L351-V353 HydrophobicContact CB-CG2 4.03Å; L351-V353 PolarHBondContact O-N 2.87Å; L351-V353 VanDerWaalsContact O-N 3.13Å; V353-H355 PolarHBondContact O-N 3.38Å; V353-H355 PolarHBondContact O-ND1 3.42Å; V353-L369 HydrophobicContact CG1-CB 4.18Å; V353-A371 HydrophobicContact CG1-CB 4.37Å; V353-W376 HydrophobicContact CG2-CE3 4.21Å; V353-W376 HydrophobicContact CG2-CZ3 3.86Å; V353-L536 HydrophobicContact CG1-CD2 4.46Å; V353-L536 HydrophobicContact CG2-CD2 4.23Å
354	L	92.7	Very high	87.6	Confident	90 Å²	90	79 Å²	79	47%	0.471	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	131.2	177.3	-54.8	178.1	0	0	0	108.4	R352 L369 T370 V372 V500	R352-L354 PolarHBondContact O-N 3.19Å; L354-L369 CarbonylContact O-C 3.58Å; L354-L369 WeakPolarHBondContact O-CA 3.44Å; L354-T370 WeakPolarHBondContact CB-O 3.32Å; L354-T370 PolarHBondContact N-O 2.86Å; L354-T370 PolarHBondContact O-N 3.3Å; L354-V372 HydrophobicContact CD1-CG2 3.88Å; L354-V372 HydrophobicContact CG-CG2 4.43Å; L354-V500 HydrophobicContact CD1-CG2 4.31Å
355	H	93.5	Very high	87.4	Confident	50 Å²	50	80.8 Å²	80.8	23%	0.231	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146	-177.8	56.3	-78.1	0	0	0	110	E345 L348 T349 V353 F368 L369	E345-H355 PolarHBondContact O-CE1 2.87Å; L348-H355 HydrophobicContact CD1-CB 4.31Å; T349-H355 PolarHBondContact OG1-CE1 3.13Å; V353-H355 PolarHBondContact O-N 3.38Å; V353-H355 PolarHBondContact O-ND1 3.42Å; H355-F368 WeakPolarHBondContact CA-O 3.31Å; H355-L369 HydrophobicContact CB-CD2 3.47Å; H355-L369 VanDerWaalsContact CB-CD2 3.47Å
356	K	92.4	Very high	87.3	Confident	164 Å²	164	79.5 Å²	79.5	71%	0.713	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	139	174.8	-65.3	-174.7	177.9	-176.3	0	108.9	L367 F368	K356-L367 CarbonylContact O-C 3.49Å; K356-L367 WeakPolarHBondContact O-CA 3.4Å; K356-F368 PolarHBondContact N-O 2.78Å; K356-F368 PolarHBondContact O-N 2.99Å
357	R	90.1	Very high	87.4	Confident	139 Å²	139	75.3 Å²	75.3	53%	0.525	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139	171.5	-65.6	-172.9	-179.4	-157.9	3.3	110.2	E345 S366 L367	E345-R357 WeakPolarHBondContact OE1-CG 3.47Å; E345-R357 IonicContact OE1-CZ 2.74Å; E345-R357 IonicContact OE1-NE 2.73Å; E345-R357 PolarHBondContact OE1-NE 3.29Å; E345-R357 IonicContact OE1-NH2 3.84Å; E345-R357 IonicContact OE2-CZ 3.22Å; E345-R357 IonicContact OE2-NE 3.18Å; E345-R357 IonicContact OE2-NH2 2.77Å; E345-R357 PolarHBondContact OE2-NH2 3Å; R357-S366 CarbonylContact C-O 3.4Å; R357-S366 WeakPolarHBondContact CA-O 3.45Å; R357-L367 HydrophobicContact CG-CD2 3.74Å
358	A	85	Confident	87.5	Confident	26 Å²	26	78.3 Å²	78.3	22%	0.215	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.9	179.6	0	0	0	0	0	110.3	C360 S366 L508	A358-C360 PolarHBondContact O-N 3.48Å; A358-C360 PolarHBondContact O-SG 2.94Å; A358-S366 PolarHBondContact N-O 3.24Å; A358-L508 HydrophobicContact CB-CD1 4.03Å
359	P	80.2	Confident	87.5	Confident	138 Å²	138	78.3 Å²	78.3	90%	0.896	39%	0.388	S	S	*	.			trans	-59.5	130.9	176.2	-23.1	34.4	0	0	0	111.9
360	C	78.9	Confident	87.6	Confident	54 Å²	54	75.1 Å²	75.1	37%	0.365	37%	0.368	S	S	.	.			trans	-150.2	173	-173.8	44.9	0	0	0	0	110.5	A358 E364	A358-C360 PolarHBondContact O-N 3.48Å; A358-C360 PolarHBondContact O-SG 2.94Å; C360-E364 HydrophobicContact CB-CG 3.65Å
361	S	73.8	Confident	87.7	Confident	67 Å²	67	69.1 Å²	69.1	47%	0.469	34%	0.34	S	S	.	.			trans	-75.7	163.1	177.4	69.6	0	0	0	0	112.7	Q363 E364	S361-Q363 PolarHBondContact O-N 2.94Å; S361-E364 VanDerWaalsContact CB-OE1 3.25Å; S361-E364 WeakPolarHBondContact CB-OE1 3.44Å; S361-E364 PolarHBondContact N-OE1 3.49Å; S361-E364 PolarHBondContact O-N 2.81Å; S361-E364 VanDerWaalsContact OG-CD 3.31Å; S361-E364 PolarHBondContact OG-OE1 3.08Å
362	Q	69.6	Low	87.7	Confident	209 Å²	209	71 Å²	71	98%	0.977	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-7.4	-175	-70.7	-174.9	-15.9	0	0	115.7
363	Q	77.7	Confident	87.6	Confident	152 Å²	152	67 Å²	67	71%	0.71	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-4.4	-175.8	-66.3	-177	-13.8	0	0	113.6	S361 P513	S361-Q363 PolarHBondContact O-N 2.94Å; Q363-P513 WeakPolarHBondContact O-CD 3.48Å
364	E	87.7	Confident	87.3	Confident	46 Å²	46	70 Å²	70	22%	0.215	36%	0.357	C	S	.	.			trans	-125.1	166.9	179.9	81.1	-160	130.1	0	0	110.2	C360 S361 V511 I512	C360-E364 HydrophobicContact CB-CG 3.65Å; S361-E364 VanDerWaalsContact CB-OE1 3.25Å; S361-E364 WeakPolarHBondContact CB-OE1 3.44Å; S361-E364 PolarHBondContact N-OE1 3.49Å; S361-E364 PolarHBondContact O-N 2.81Å; S361-E364 VanDerWaalsContact OG-CD 3.31Å; S361-E364 PolarHBondContact OG-OE1 3.08Å; E364-V511 WeakPolarHBondContact CA-O 3.46Å; E364-V511 WeakPolarHBondContact CB-O 3.35Å; E364-I512 HydrophobicContact CB-CG1 4.34Å
365	Q	89.1	Confident	87	Confident	37 Å²	37	67.4 Å²	67.4	17%	0.173	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.1	171.3	-70.7	-71.2	-7.1	0	0	110	V337 D338 T341 N510 V511	V337-Q365 HydrophobicContact CG1-CB 3.98Å; V337-Q365 HydrophobicContact CG1-CG 3.76Å; D338-Q365 PolarHBondContact OD1-NE2 3.42Å; T341-Q365 HydrophobicContact CG2-CB 3.94Å; T341-Q365 HydrophobicContact CG2-CG 4.41Å; T341-Q365 VanDerWaalsContact OG1-CB 3.24Å; T341-Q365 WeakPolarHBondContact OG1-CB 3.43Å; Q365-N510 CarbonylContact O-C 3.6Å; Q365-N510 WeakPolarHBondContact O-CA 3.24Å; Q365-V511 PolarHBondContact N-O 3.06Å; Q365-V511 PolarHBondContact O-N 3.34Å
366	S	91.4	Very high	86.5	Confident	5 Å²	5	65.7 Å²	65.7	4%	0.035	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.9	-177.7	-70.8	0	0	0	0	112.2	R357 A358 L509 N510	R357-S366 CarbonylContact C-O 3.4Å; R357-S366 WeakPolarHBondContact CA-O 3.45Å; A358-S366 PolarHBondContact N-O 3.24Å; S366-L509 CarbonylContact C-O 3.44Å; S366-L509 WeakPolarHBondContact CA-O 3.48Å; S366-N510 WeakPolarHBondContact CB-OD1 3.16Å; S366-N510 PolarHBondContact OG-OD1 3.42Å
367	L	92.5	Very high	85.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118	174.8	-57.4	179.8	0	0	0	110.2	T341 E345 L348 K356 R357 L369 L509	T341-L367 HydrophobicContact CG2-CD1 4.24Å; T341-L367 HydrophobicContact CG2-CD2 4.14Å; T341-L367 HydrophobicContact CG2-CG 4.28Å; E345-L367 HydrophobicContact CG-CD1 3.7Å; E345-L367 HydrophobicContact CG-CD2 3.88Å; E345-L367 HydrophobicContact CG-CG 4.47Å; E345-L367 WeakPolarHBondContact OE1-CD2 3.05Å; L348-L367 HydrophobicContact CD1-CD1 3.93Å; K356-L367 CarbonylContact O-C 3.49Å; K356-L367 WeakPolarHBondContact O-CA 3.4Å; R357-L367 HydrophobicContact CG-CD2 3.74Å; L367-L369 HydrophobicContact CB-CD2 3.81Å; L367-L369 PolarHBondContact O-N 2.9Å; L367-L509 HydrophobicContact CB-CB 4.42Å; L367-L509 HydrophobicContact CD1-CD2 4.4Å; L367-L509 PolarHBondContact N-O 3.17Å; L367-L509 PolarHBondContact O-N 3.01Å
368	F	93.5	Very high	84.5	Confident	76 Å²	76	60.2 Å²	60.2	33%	0.333	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.1	168	-171	-87.2	0	0	0	109.6	H355 K356 K506 L508 V525	H355-F368 WeakPolarHBondContact CA-O 3.31Å; K356-F368 PolarHBondContact N-O 2.78Å; K356-F368 PolarHBondContact O-N 2.99Å; F368-K506 HydrophobicContact CE1-CB 4.28Å; F368-K506 HydrophobicContact CE1-CD 4.04Å; F368-K506 HydrophobicContact CZ-CB 4.02Å; F368-K506 HydrophobicContact CZ-CD 4.05Å; F368-L508 HydrophobicContact CB-CD1 4.37Å; F368-L508 HydrophobicContact CD2-CD1 4.47Å; F368-V525 HydrophobicContact CE2-CG1 4.33Å; F368-V525 HydrophobicContact CE2-CG2 4.12Å
369	L	94.6	Very high	83.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.9	-175.7	-49.6	-171.8	0	0	0	111.5	L348 V353 L354 H355 L367 K506 C507 L509 M522	L348-L369 HydrophobicContact CD1-CD1 4.31Å; L348-L369 HydrophobicContact CD1-CD2 3.61Å; L348-L369 HydrophobicContact CD2-CD1 3.96Å; L348-L369 HydrophobicContact CD2-CD2 4.31Å; V353-L369 HydrophobicContact CG1-CB 4.18Å; L354-L369 CarbonylContact O-C 3.58Å; L354-L369 WeakPolarHBondContact O-CA 3.44Å; H355-L369 HydrophobicContact CB-CD2 3.47Å; H355-L369 VanDerWaalsContact CB-CD2 3.47Å; L367-L369 HydrophobicContact CB-CD2 3.81Å; L367-L369 PolarHBondContact O-N 2.9Å; L369-K506 WeakPolarHBondContact O-CA 3.47Å; L369-K506 WeakPolarHBondContact O-CB 3.12Å; L369-C507 PolarHBondContact N-O 3.41Å; L369-C507 PolarHBondContact O-N 3.12Å; L369-C507 VanDerWaalsContact O-N 3.14Å; L369-L509 HydrophobicContact CD1-CB 3.91Å; L369-L509 HydrophobicContact CD1-CD1 4.04Å; L369-L509 HydrophobicContact CG-CB 4.19Å; L369-M522 HydrophobicContact CD1-CE 4.04Å
370	T	93.3	Very high	82.4	Confident	20 Å²	20	61.9 Å²	61.9	12%	0.123	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	108.5	169.9	-65.1	0	0	0	0	108.9	L354 V372 F503 K506	L354-T370 WeakPolarHBondContact CB-O 3.32Å; L354-T370 PolarHBondContact N-O 2.86Å; L354-T370 PolarHBondContact O-N 3.3Å; T370-V372 HydrophobicContact CG2-CG2 4.31Å; T370-F503 HydrophobicContact CG2-CB 4.08Å; T370-K506 HydrophobicContact CG2-CD 4.26Å; T370-K506 HydrophobicContact CG2-CG 4.04Å; T370-K506 WeakPolarHBondContact OG1-CD 3.48Å; T370-K506 WeakPolarHBondContact OG1-CG 3.43Å
371	A	91.7	Very high	81.5	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.6	179.8	0	0	0	0	0	109.9	V353 W376 L504 F505	V353-A371 HydrophobicContact CG1-CB 4.37Å; A371-W376 HydrophobicContact CB-CH2 3.89Å; A371-W376 HydrophobicContact CB-CZ3 4.29Å; A371-L504 WeakPolarHBondContact O-CB 3.33Å; A371-L504 PolarHBondContact O-N 3Å; A371-F505 HydrophobicContact CB-CD1 4.1Å; A371-F505 HydrophobicContact CB-CD2 4.42Å; A371-F505 HydrophobicContact CB-CE1 3.73Å; A371-F505 HydrophobicContact CB-CE2 4.08Å; A371-F505 HydrophobicContact CB-CG 4.42Å; A371-F505 HydrophobicContact CB-CZ 3.72Å; A371-F505 PolarHBondContact N-O 2.85Å
372	V	90.4	Very high	80.8	Confident	48 Å²	48	67.9 Å²	67.9	29%	0.291	32%	0.32	S	S	.	.			trans	-92.1	-42.2	-178.1	179.4	0	0	0	0	111.7	L354 T370 V500	L354-V372 HydrophobicContact CD1-CG2 3.88Å; L354-V372 HydrophobicContact CG-CG2 4.43Å; T370-V372 HydrophobicContact CG2-CG2 4.31Å; V372-V500 HydrophobicContact CG1-CG1 4.39Å; V372-V500 HydrophobicContact CG2-CG1 4.12Å
373	E	88.4	Confident	80.5	Confident	84 Å²	84	64.1 Å²	64.1	39%	0.393	30%	0.296	S	S	.	.	S	Bend	trans	-124.8	161.8	174.5	56.2	163	-173.8	0	0	111.9	R352 T375 W376 L504	R352-E373 WeakPolarHBondContact CD-OE1 3.18Å; R352-E373 IonicContact CZ-OE1 2.6Å; R352-E373 IonicContact NE-OE1 2.69Å; R352-E373 IonicContact NH1-OE1 3.62Å; R352-E373 PolarHBondContact NH1-OE1 3.18Å; R352-E373 IonicContact NH1-OE2 2.73Å; E373-T375 HydrophobicContact CG-CG2 3.9Å; E373-W376 WeakPolarHBondContact O-CH2 3.34Å; E373-W376 WeakPolarHBondContact O-CZ3 3.45Å; E373-L504 VanDerWaalsContact C-CD1 3.48Å
374	N	87.2	Confident	79.9	Confident	66 Å²	66	64.6 Å²	64.6	35%	0.353	29%	0.292	S	S	.	.			trans	-100.9	97.7	-177.2	-176.3	-6.1	0	0	0	111.1	W376 I377 L504 L532	N374-W376 HydrophobicContact CB-CH2 4.33Å; N374-W376 HydrophobicContact CB-CZ2 4.34Å; N374-I377 WeakPolarHBondContact ND2-CD1 3.44Å; N374-I377 WeakPolarHBondContact OD1-CG1 3.42Å; N374-L504 HydrophobicContact CB-CD1 3.84Å; N374-L532 WeakPolarHBondContact ND2-CD2 3.44Å
375	T	85.6	Confident	78.9	Confident	35 Å²	35	66.5 Å²	66.5	22%	0.215	30%	0.3	C	S	.	.			trans	-105	-21	-173.5	55.8	0	0	0	0	113.7	L351 E373	L351-T375 WeakPolarHBondContact CA-OG1 3.44Å; L351-T375 WeakPolarHBondContact CB-OG1 3.46Å; L351-T375 WeakPolarHBondContact O-CB 3.44Å; L351-T375 VanDerWaalsContact O-CG2 3.31Å; L351-T375 WeakPolarHBondContact O-CG2 3.48Å; L351-T375 PolarHBondContact O-OG1 2.92Å; E373-T375 HydrophobicContact CG-CG2 3.9Å
376	W	83.3	Confident	77.8	Confident	13 Å²	13	69.9 Å²	69.9	5%	0.049	32%	0.316	C	S	.	.	S	Bend	trans	-81.4	-24.7	-174.7	51.8	94.8	0	0	0	113.3	L351 V353 A371 E373 N374 L504 F505 L532 L536 Y539	L351-W376 HydrophobicContact CD1-CB 4.25Å; L351-W376 HydrophobicContact CD2-CB 3.89Å; V353-W376 HydrophobicContact CG2-CE3 4.21Å; V353-W376 HydrophobicContact CG2-CZ3 3.86Å; A371-W376 HydrophobicContact CB-CH2 3.89Å; A371-W376 HydrophobicContact CB-CZ3 4.29Å; E373-W376 WeakPolarHBondContact O-CH2 3.34Å; E373-W376 WeakPolarHBondContact O-CZ3 3.45Å; N374-W376 HydrophobicContact CB-CH2 4.33Å; N374-W376 HydrophobicContact CB-CZ2 4.34Å; W376-L504 HydrophobicContact CH2-CD1 4.26Å; W376-F505 AromaticContact CH2-CE1 3.95Å; W376-F505 HydrophobicContact CH2-CE1 3.95Å; W376-F505 HydrophobicContact CH2-CZ 4.31Å; W376-F505 AromaticContact CZ2-CE1 3.81Å; W376-F505 HydrophobicContact CZ2-CE1 3.81Å; W376-F505 HydrophobicContact CZ2-CZ 4.28Å; W376-L532 HydrophobicContact CZ2-CB 4.33Å; W376-L532 PolarHBondContact NE1-O 3.2Å; W376-L536 HydrophobicContact CB-CD1 4.46Å; W376-L536 HydrophobicContact CD2-CB 4.2Å; W376-L536 HydrophobicContact CD2-CD1 4Å; W376-L536 HydrophobicContact CE3-CD1 4.06Å; W376-L536 HydrophobicContact CG-CB 4.44Å; W376-L536 HydrophobicContact CG-CD1 4.16Å; W376-L536 HydrophobicContact CZ2-CB 4.47Å; W376-Y539 HydrophobicContact CB-CD1 4.41Å; W376-Y539 HydrophobicContact CB-CD2 3.75Å; W376-Y539 HydrophobicContact CB-CE2 4.35Å; W376-Y539 HydrophobicContact CB-CG 3.79Å; W376-Y539 WeakPolarHBondContact O-CD2 3.07Å
377	I	74.1	Confident	76.7	Confident	52 Å²	52	73.2 Å²	73.2	27%	0.267	34%	0.337	S	S	.	.	S	Bend	trans	-85.8	146.4	172.4	-46.6	179.5	0	0	0	109.8	N374 G379 L532 Q535	N374-I377 WeakPolarHBondContact ND2-CD1 3.44Å; N374-I377 WeakPolarHBondContact OD1-CG1 3.42Å; I377-G379 PolarHBondContact O-N 2.94Å; I377-L532 HydrophobicContact CD1-CD2 4.42Å; I377-Q535 HydrophobicContact CD1-CB 4.36Å; I377-Q535 HydrophobicContact CD1-CG 4.42Å
378	H	66.2	Low	75.7	Confident	137 Å²	137	80.9 Å²	80.9	63%	0.634	37%	0.365	S	S	*	.	S	Bend	trans	57.3	-5.5	-177.7	-53.6	118.8	0	0	0	116.6	R380 Q381 K382	H378-R380 PolarHBondContact O-N 3.15Å; H378-Q381 WeakPolarHBondContact O-CA 3.4Å; H378-Q381 WeakPolarHBondContact O-CB 3.47Å; H378-Q381 PolarHBondContact O-N 3.34Å; H378-K382 PolarHBondContact O-N 3.37Å
379	G	61.1	Low	74.7	Confident	13 Å²	13	83.1 Å²	83.1	13%	0.134	38%	0.377	C	S	.	.	H	α-helix	trans	-58.9	-14.9	178.9	0	0	0	0	0	115.5	I377 R383	I377-G379 PolarHBondContact O-N 2.94Å; G379-R383 WeakPolarHBondContact O-CB 3.43Å; G379-R383 WeakPolarHBondContact O-CG 3.39Å; G379-R383 PolarHBondContact O-NE 2.81Å
380	R	59.8	Low	73.5	Confident	186 Å²	186	89 Å²	89	70%	0.702	41%	0.408	S	S	*	.	H	α-helix	trans	-81.2	-33.3	169.1	-163	-176.8	-163.4	-165.8	5.7	112.6	H378 R384	H378-R380 PolarHBondContact O-N 3.15Å; R380-R384 WeakPolarHBondContact O-CD 3.16Å; R380-R384 VanDerWaalsContact O-CG 3.3Å; R380-R384 WeakPolarHBondContact O-CG 3.39Å; R380-R384 PolarHBondContact O-N 3.42Å
381	Q	59.7	Low	72.3	Confident	103 Å²	103	98.1 Å²	98.1	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-76	-50	175.8	172.6	171.7	-7.5	0	0	110.2	H378 R383 R384 E385	H378-Q381 WeakPolarHBondContact O-CA 3.4Å; H378-Q381 WeakPolarHBondContact O-CB 3.47Å; H378-Q381 PolarHBondContact O-N 3.34Å; Q381-R383 VanDerWaalsContact C-N 3.27Å; Q381-R383 PolarHBondContact O-N 3.34Å; Q381-R384 CarbonylContact O-C 3.56Å; Q381-R384 WeakPolarHBondContact O-CA 3.17Å; Q381-R384 WeakPolarHBondContact O-CB 3.37Å; Q381-R384 PolarHBondContact O-N 2.93Å; Q381-E385 HydrophobicContact CG-CG 4.45Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.3Å; Q381-E385 PolarHBondContact NE2-OE1 2.97Å; Q381-E385 PolarHBondContact O-N 3.12Å
382	K	59.4	Low	71	Confident	144 Å²	144	103.7 Å²	103.7	63%	0.626	47%	0.466	S	S	*	.	H	α-helix	trans	-56.6	-38.1	177.9	-147.9	171.9	-171.6	176.4	0	112.9	H378 E385 Q386	H378-K382 PolarHBondContact O-N 3.37Å; K382-E385 WeakPolarHBondContact CA-OE2 3.37Å; K382-E385 PolarHBondContact O-N 3.44Å; K382-Q386 WeakPolarHBondContact O-CG 3.45Å; K382-Q386 PolarHBondContact O-N 2.78Å
383	R	64.1	Low	70	Confident	130 Å²	130	106.7 Å²	106.7	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-68.4	-36.3	172.2	-82.5	-178.5	-80.8	-157	-6.7	113.7	G379 Q381 T387 Y539	G379-R383 WeakPolarHBondContact O-CB 3.43Å; G379-R383 WeakPolarHBondContact O-CG 3.39Å; G379-R383 PolarHBondContact O-NE 2.81Å; Q381-R383 VanDerWaalsContact C-N 3.27Å; Q381-R383 PolarHBondContact O-N 3.34Å; R383-T387 WeakPolarHBondContact O-CB 3.48Å; R383-T387 PolarHBondContact O-N 2.6Å; R383-T387 PolarHBondContact O-OG1 3.03Å; R383-Y539 PolarHBondContact NH2-OH 3.3Å
384	R	65.3	Low	68.3	Low	162 Å²	162	108.4 Å²	108.4	61%	0.611	50%	0.498	S	S	*	.	H	α-helix	trans	-67.1	-41.4	173.6	-77.1	169	167.1	-171.9	-8.1	111.3	R380 Q381 T387 R388	R380-R384 WeakPolarHBondContact O-CD 3.16Å; R380-R384 VanDerWaalsContact O-CG 3.3Å; R380-R384 WeakPolarHBondContact O-CG 3.39Å; R380-R384 PolarHBondContact O-N 3.42Å; Q381-R384 CarbonylContact O-C 3.56Å; Q381-R384 WeakPolarHBondContact O-CA 3.17Å; Q381-R384 WeakPolarHBondContact O-CB 3.37Å; Q381-R384 PolarHBondContact O-N 2.93Å; R384-T387 PolarHBondContact O-N 3.4Å; R384-R388 WeakPolarHBondContact O-CB 3.22Å; R384-R388 PolarHBondContact O-N 2.73Å
385	E	65.5	Low	67.1	Low	85 Å²	85	116.8 Å²	116.8	40%	0.397	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-45.2	175.7	-71.7	156.8	176.1	0	0	111.1	Q381 K382 T387 R388 Q389	Q381-E385 HydrophobicContact CG-CG 4.45Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.3Å; Q381-E385 PolarHBondContact NE2-OE1 2.97Å; Q381-E385 PolarHBondContact O-N 3.12Å; K382-E385 WeakPolarHBondContact CA-OE2 3.37Å; K382-E385 PolarHBondContact O-N 3.44Å; E385-T387 PolarHBondContact O-N 2.81Å; E385-R388 WeakPolarHBondContact O-CB 3.5Å; E385-R388 PolarHBondContact O-N 3.02Å; E385-Q389 WeakPolarHBondContact O-CG 3.3Å; E385-Q389 PolarHBondContact O-N 2.97Å
386	Q	66.5	Low	65.5	Low	108 Å²	108	119.2 Å²	119.2	51%	0.505	55%	0.549	S	S	.	.	H	α-helix	trans	-62	-42.2	172.3	-76	178.6	-41.1	0	0	112.9	K382 R388 Q389 L390	K382-Q386 WeakPolarHBondContact O-CG 3.45Å; K382-Q386 PolarHBondContact O-N 2.78Å; Q386-R388 PolarHBondContact O-N 3.42Å; Q386-Q389 PolarHBondContact O-N 2.94Å; Q386-L390 WeakPolarHBondContact O-CB 2.9Å; Q386-L390 VanDerWaalsContact O-CG 3.26Å; Q386-L390 WeakPolarHBondContact O-CG 3.43Å; Q386-L390 PolarHBondContact O-N 3.4Å
387	T	69.2	Low	64	Low	76 Å²	76	124.2 Å²	124.2	47%	0.466	58%	0.583	S	S	.	*	H	α-helix	trans	-66.4	-29.4	176.2	-58.5	0	0	0	0	111.9	R383 R384 E385 R391	R383-T387 WeakPolarHBondContact O-CB 3.48Å; R383-T387 PolarHBondContact O-N 2.6Å; R383-T387 PolarHBondContact O-OG1 3.03Å; R384-T387 PolarHBondContact O-N 3.4Å; E385-T387 PolarHBondContact O-N 2.81Å; T387-R391 VanDerWaalsContact O-CG 3.31Å; T387-R391 WeakPolarHBondContact O-CG 3.39Å; T387-R391 PolarHBondContact O-N 2.82Å
388	R	71	Confident	62.7	Low	160 Å²	160	127.7 Å²	127.7	60%	0.604	61%	0.609	S	S	*	*	H	α-helix	trans	-71	-50.7	173.1	-178.9	175.9	178.5	168.3	4.2	110.9	R384 E385 Q386 L390 R391 E392	R384-R388 WeakPolarHBondContact O-CB 3.22Å; R384-R388 PolarHBondContact O-N 2.73Å; E385-R388 WeakPolarHBondContact O-CB 3.5Å; E385-R388 PolarHBondContact O-N 3.02Å; Q386-R388 PolarHBondContact O-N 3.42Å; R388-L390 VanDerWaalsContact C-N 3.31Å; R388-L390 PolarHBondContact O-N 2.62Å; R388-R391 CarbonylContact O-C 3.57Å; R388-R391 WeakPolarHBondContact O-CA 3.35Å; R388-R391 WeakPolarHBondContact O-CB 3.3Å; R388-R391 PolarHBondContact O-N 3.49Å; R388-E392 HydrophobicContact CG-CG 4.46Å; R388-E392 WeakPolarHBondContact CG-OE1 3.35Å; R388-E392 IonicContact CZ-OE1 3.43Å; R388-E392 IonicContact NE-OE1 2.74Å; R388-E392 PolarHBondContact NE-OE1 3.04Å; R388-E392 IonicContact NE-OE2 3.76Å; R388-E392 IonicContact NH2-OE1 3.2Å; R388-E392 PolarHBondContact NH2-OE1 3.1Å; R388-E392 WeakPolarHBondContact O-CG 3.43Å; R388-E392 PolarHBondContact O-N 3.37Å
389	Q	72	Confident	61.5	Low	124 Å²	124	127.2 Å²	127.2	58%	0.579	62%	0.62	S	S	*	*	H	α-helix	trans	-56.4	-43.2	175	-71.8	169.3	-16.2	0	0	112	E385 Q386 R391 E392 L393	E385-Q389 WeakPolarHBondContact O-CG 3.3Å; E385-Q389 PolarHBondContact O-N 2.97Å; Q386-Q389 PolarHBondContact O-N 2.94Å; Q389-R391 PolarHBondContact O-N 3.48Å; Q389-E392 CarbonylContact O-C 3.58Å; Q389-E392 PolarHBondContact O-N 2.93Å; Q389-E392 VanDerWaalsContact O-N 3.1Å; Q389-L393 PolarHBondContact O-N 3.29Å; Q389-L393 VanDerWaalsContact O-N 3.16Å
390	L	69.5	Low	60.6	Low	123 Å²	123	131.8 Å²	131.8	64%	0.644	66%	0.656	S	S	*	*	H	α-helix	trans	-65.4	-22	175.1	-73.4	166.5	0	0	0	114	Q386 R388 L393	Q386-L390 WeakPolarHBondContact O-CB 2.9Å; Q386-L390 VanDerWaalsContact O-CG 3.26Å; Q386-L390 WeakPolarHBondContact O-CG 3.43Å; Q386-L390 PolarHBondContact O-N 3.4Å; R388-L390 VanDerWaalsContact C-N 3.31Å; R388-L390 PolarHBondContact O-N 2.62Å; L390-L393 HydrophobicContact CD2-CD1 4.02Å
391	R	67.5	Low	59.7	Low	212 Å²	212	126.2 Å²	126.2	80%	0.8	66%	0.657	S	S	*	*	H	α-helix	trans	-88.2	-21	171.8	-76.1	175.3	173.2	-158.1	-2.7	113.4	T387 R388 Q389	T387-R391 VanDerWaalsContact O-CG 3.31Å; T387-R391 WeakPolarHBondContact O-CG 3.39Å; T387-R391 PolarHBondContact O-N 2.82Å; R388-R391 CarbonylContact O-C 3.57Å; R388-R391 WeakPolarHBondContact O-CA 3.35Å; R388-R391 WeakPolarHBondContact O-CB 3.3Å; R388-R391 PolarHBondContact O-N 3.49Å; Q389-R391 PolarHBondContact O-N 3.48Å
392	E	66.3	Low	58.4	Low	117 Å²	117	127.9 Å²	127.9	55%	0.547	67%	0.674	S	S	.	*	H	α-helix	trans	-91.8	-1.2	178.9	-70.5	168.3	170.7	0	0	112.1	R388 Q389	R388-E392 HydrophobicContact CG-CG 4.46Å; R388-E392 WeakPolarHBondContact CG-OE1 3.35Å; R388-E392 IonicContact CZ-OE1 3.43Å; R388-E392 IonicContact NE-OE1 2.74Å; R388-E392 PolarHBondContact NE-OE1 3.04Å; R388-E392 IonicContact NE-OE2 3.76Å; R388-E392 IonicContact NH2-OE1 3.2Å; R388-E392 PolarHBondContact NH2-OE1 3.1Å; R388-E392 WeakPolarHBondContact O-CG 3.43Å; R388-E392 PolarHBondContact O-N 3.37Å; Q389-E392 CarbonylContact O-C 3.58Å; Q389-E392 PolarHBondContact O-N 2.93Å; Q389-E392 VanDerWaalsContact O-N 3.1Å
393	L	67.4	Low	57.2	Low	110 Å²	110	126.4 Å²	126.4	58%	0.576	68%	0.682	S	S	*	*	S	Bend	trans	-64.7	141	166.5	-72.5	174.9	0	0	0	111.4	Q389 L390 R395	Q389-L393 PolarHBondContact O-N 3.29Å; Q389-L393 VanDerWaalsContact O-N 3.16Å; L390-L393 HydrophobicContact CD2-CD1 4.02Å; L393-R395 PolarHBondContact O-N 3.27Å
394	P	54.7	Low	56	Low	121 Å²	121	127.6 Å²	127.6	79%	0.786	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-59.8	129.3	176.8	-23.1	33.5	0	0	0	112.1
395	R	61.4	Low	54.6	Low	241 Å²	241	128.5 Å²	128.5	91%	0.909	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-69.6	145.8	162.6	-71.3	-176.6	177.2	179.3	-1.4	109	L393	L393-R395 PolarHBondContact O-N 3.27Å
396	A	52.3	Low	53	Low	87 Å²	87	131 Å²	131	72%	0.719	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-56.2	147.2	173.3	0	0	0	0	0	110.9
397	P	52.1	Low	51.5	Low	118 Å²	118	131.1 Å²	131.1	77%	0.766	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-57.6	138.5	175.9	-22	32.9	0	0	0	110.7	C399	P397-C399 PolarHBondContact O-N 3.49Å
398	P	45.9	Very low	49.7	Very low	124 Å²	124	134 Å²	134	81%	0.805	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.3	128.9	175.6	27.5	-33.1	0	0	0	110	A400	P398-A400 PolarHBondContact O-N 3.41Å
399	C	41	Very low	47.9	Very low	128 Å²	128	131.5 Å²	131.5	87%	0.865	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-58.6	138.6	166	-73.2	0	0	0	0	109.7	P397 G401	P397-C399 PolarHBondContact O-N 3.49Å; C399-G401 PolarHBondContact O-N 3.04Å
400	A	41.2	Very low	46	Very low	109 Å²	109	132.3 Å²	132.3	90%	0.901	79%	0.786	S	S	*	*	S	Bend	trans	-67.9	131.5	178.7	0	0	0	0	0	110.8	P398	P398-A400 PolarHBondContact O-N 3.41Å
401	G	41.7	Very low	44.3	Very low	69 Å²	69	131.4 Å²	131.4	71%	0.711	80%	0.797	S	S	*	*			trans	114.6	82.6	169.8	0	0	0	0	0	115.6	C399	C399-G401 PolarHBondContact O-N 3.04Å
402	T	32.7	Very low	42.7	Very low	137 Å²	137	125.6 Å²	125.6	84%	0.84	79%	0.794	S	S	*	*				-174.9	122.1	125	-71.1	0	0	0	0	107.9
403	S	34.6	Very low	41.4	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	81%	0.808	S	S	*	*			trans	-99.7	119.9	179.6	54.7	0	0	0	0	111.6
404	I	39	Very low	39.6	Very low	155 Å²	155	127.7 Å²	127.7	80%	0.795	82%	0.821	S	S	*	*			trans	-131.6	131.6	158.6	-61	-176.6	0	0	0	108
405	Q	35.7	Very low	38.6	Very low	181 Å²	181	127 Å²	127	85%	0.846	82%	0.82	S	S	*	*			trans	-91.4	144.9	179.5	-59.4	169.8	-12.3	0	0	110.4
406	T	32.1	Very low	37.1	Very low	136 Å²	136	122.4 Å²	122.4	83%	0.834	82%	0.818	S	S	*	*			trans	-152.4	125.3	143.8	4.8	0	0	0	0	112.6
407	S	33.9	Very low	36.1	Very low	112 Å²	112	126.1 Å²	126.1	78%	0.783	82%	0.821	S	S	*	*			trans	-13.3	134.5	165.1	52.2	0	0	0	0	120.3
408	T	32.1	Very low	35	Very low	137 Å²	137	127.6 Å²	127.6	84%	0.84	82%	0.822	S	S	*	*			trans	-71.4	151.7	155.2	48	0	0	0	0	112.8
409	A	32.7	Very low	34.3	Very low	107 Å²	107	132.5 Å²	132.5	88%	0.884	83%	0.825	S	S	*	*			trans	-144.9	139.3	158.8	0	0	0	0	0	110.5
410	T	32.8	Very low	33.7	Very low	141 Å²	141	129.9 Å²	129.9	87%	0.865	82%	0.819	S	S	*	*			trans	-133.2	136	-175.8	-34.1	0	0	0	0	109.2
411	A	33.1	Very low	33.2	Very low	104 Å²	104	131.5 Å²	131.5	86%	0.86	81%	0.813	S	S	*	*			trans	-149.5	148.3	172.5	0	0	0	0	0	111.3
412	A	34	Very low	32.6	Very low	89 Å²	89	134.5 Å²	134.5	74%	0.736	81%	0.812	S	S	*	*			trans	-114.6	162.2	179.5	0	0	0	0	0	110.3
413	P	39.1	Very low	32.6	Very low	131 Å²	131	136.3 Å²	136.3	85%	0.851	81%	0.811	S	S	*	*			trans	-80	153.4	-175.3	33.1	-35.4	0	0	0	112.9
414	V	30.7	Very low	32.5	Very low	141 Å²	141	134.6 Å²	134.6	86%	0.855	80%	0.8	S	S	*	*			trans	-132	143.4	171.4	178	0	0	0	0	109.3
415	S	32.1	Very low	32.1	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	80%	0.8	S	S	*	*			trans	-113.5	141.1	-178.4	54	0	0	0	0	111.9
416	T	30	Very low	31.8	Very low	144 Å²	144	133.4 Å²	133.4	88%	0.883	80%	0.795	S	S	*	*			trans	-153.1	159.9	161.9	-4.1	0	0	0	0	112.5
417	E	31.5	Very low	31.8	Very low	165 Å²	165	133 Å²	133	77%	0.771	79%	0.792	S	S	*	*			trans	-107.7	165.9	-171.4	-48.4	172	122.9	0	0	113.1
418	N	29.5	Very low	31.6	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	79%	0.785	S	S	*	*			trans	-164.8	134.4	139.3	-93.4	-34	0	0	0	107.3
419	R	32	Very low	31.5	Very low	227 Å²	227	133.7 Å²	133.7	86%	0.857	78%	0.781	S	S	*	*			cis	92.9	138.2	37.6	-78.3	-170.6	164.4	-139.6	-2.9	114.3
420	G	27.9	Very low	31.3	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	78%	0.776	S	S	*	*			trans	100.6	95.8	-176.1	0	0	0	0	0	111.7
421	N	29.7	Very low	31.1	Very low	143 Å²	143	134 Å²	134	77%	0.765	77%	0.772	S	S	*	*			cis	89.2	117	27	-149.9	97.3	0	0	0	114.4
422	D	29.1	Very low	30.8	Very low	131 Å²	131	138.7 Å²	138.7	70%	0.701	77%	0.773	S	S	*	*			trans	163.3	117.6	141.1	-83.9	6.1	0	0	0	108.1
423	E	33.3	Very low	30.5	Very low	175 Å²	175	139.3 Å²	139.3	82%	0.818	77%	0.772	S	S	*	*				77.2	137.3	89.1	-78.1	-156.6	174.7	0	0	114.4
424	S	31.7	Very low	30.1	Very low	79 Å²	79	139.3 Å²	139.3	55%	0.552	77%	0.769	S	S	*	*			cis	-161.2	174.6	-1	53.7	0	0	0	0	112.8
425	Q	30.6	Very low	30.4	Very low	173 Å²	173	138.6 Å²	138.6	81%	0.808	77%	0.767	S	S	*	*			trans	69.3	145.5	159.5	-65.8	168.9	32	0	0	120.6
426	D	30.1	Very low	30.1	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	77%	0.766	S	S	*	*			cis	-161.7	173.2	-36.6	-133.5	-34.6	0	0	0	113.7
427	V	32.1	Very low	30	Very low	126 Å²	126	138.9 Å²	138.9	76%	0.764	76%	0.756	S	S	*	*			trans	-23.7	158.4	171.7	-77.2	0	0	0	0	121.7
428	D	29	Very low	29.8	Very low	121 Å²	121	138.4 Å²	138.4	65%	0.647	75%	0.754	S	S	*	*			cis	-142.9	-125.7	-17.1	-169.3	13.9	0	0	0	106.5
429	L	30.6	Very low	29.7	Very low	143 Å²	143	136.3 Å²	136.3	75%	0.749	75%	0.751	S	S	*	*			cis	-146	164.7	-7.2	-136.4	-170.6	0	0	0	110.1
430	K	29.4	Very low	29.4	Very low	180 Å²	180	130.7 Å²	130.7	78%	0.783	75%	0.746	S	S	*	*			trans	-79.4	151.5	-172.2	-60.5	146.2	-175.5	151	0	114
431	G	27.1	Very low	29.3	Very low	76 Å²	76	133 Å²	133	78%	0.784	75%	0.746	S	S	*	*			trans	-149.5	153.3	163.1	0	0	0	0	0	111.8
432	K	28.3	Very low	29.2	Very low	202 Å²	202	134.7 Å²	134.7	88%	0.878	75%	0.749	S	S	*	*			trans	-125.2	153	-176	-75.1	-176.3	174.6	179.1	0	113.2
433	S	26.5	Very low	29.1	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	75%	0.752	S	S	*	*			trans	58.7	126	141.5	59.1	0	0	0	0	122.6
434	V	30	Very low	28.7	Very low	131 Å²	131	134.3 Å²	134.3	79%	0.794	75%	0.752	S	S	*	*			trans	21.9	132.4	134	-148.1	0	0	0	0	119.3
435	P	38.1	Very low	28.4	Very low	125 Å²	125	136.3 Å²	136.3	81%	0.812	76%	0.761	S	S	*	*				-133.3	-171.4	118	39.3	-30.5	0	0	0	114.3
436	S	25.6	Very low	28.3	Very low	104 Å²	104	133 Å²	133	73%	0.727	76%	0.757	S	S	*	*			trans	-134.9	-162.4	-167.5	58.4	0	0	0	0	112.5
437	K	28.4	Very low	28.2	Very low	154 Å²	154	130.7 Å²	130.7	67%	0.67	76%	0.757	S	S	*	*			trans	84.7	125.1	171.6	-67.6	-175.4	157.9	-75	0	116.2
438	E	26.8	Very low	28	Very low	155 Å²	155	132.3 Å²	132.3	72%	0.724	76%	0.756	S	S	*	*				78.3	160.2	85.8	-68.4	161.9	-165.5	0	0	114
439	S	26.6	Very low	27.9	Very low	105 Å²	105	130.2 Å²	130.2	73%	0.734	76%	0.763	S	S	*	*			cis	176.1	117.6	-28.4	173	0	0	0	0	110
440	S	27.5	Very low	27.8	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	77%	0.765	S	S	*	*			trans	-170.6	138	164.6	41.3	0	0	0	0	109.4
441	T	25.3	Very low	27.7	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	77%	0.769	S	S	*	*			cis	93.8	115.1	29	62.2	0	0	0	0	115.8
442	E	27.1	Very low	27.7	Very low	180 Å²	180	136.8 Å²	136.8	84%	0.841	76%	0.764	S	S	*	*			trans	179.9	118.1	139.3	-95.2	162.5	-153.7	0	0	106.6
443	T	26	Very low	27.7	Very low	124 Å²	124	134.3 Å²	134.3	76%	0.761	75%	0.753	S	S	*	*				56.3	136.4	92.8	45.7	0	0	0	0	114.6
444	E	25.9	Very low	27.6	Very low	174 Å²	174	137.3 Å²	137.3	81%	0.813	76%	0.756	S	S	*	*			cis	-143.5	139.4	42.5	-83	-172.2	153.9	0	0	112.1
445	T	25.9	Very low	27.5	Very low	121 Å²	121	135.2 Å²	135.2	74%	0.742	75%	0.752	S	S	*	*				55	140.2	90.3	46.4	0	0	0	0	117
446	S	27.4	Very low	26.9	Very low	103 Å²	103	138 Å²	138	72%	0.72	76%	0.759	S	S	*	*			cis	-173.1	162	-1.5	44.6	0	0	0	0	113.3
447	A	28.7	Very low	27.1	Very low	89 Å²	89	136.9 Å²	136.9	74%	0.736	76%	0.756	S	S	*	*			trans	61.6	161.2	144.3	0	0	0	0	0	120.8
448	E	28.5	Very low	27	Very low	160 Å²	160	137.3 Å²	137.3	75%	0.748	77%	0.766	S	S	*	*			cis	-157.8	166.5	-30.4	-110.5	-163.6	130.8	0	0	108.5	R450	E448-R450 IonicContact OE1-NE 3.75Å; E448-R450 IonicContact OE1-NH2 3.7Å
449	G	26	Very low	27.1	Very low	78 Å²	78	134 Å²	134	80%	0.804	77%	0.765	S	S	*	*			trans	177.7	125.9	170.1	0	0	0	0	0	112.7
450	R	28.2	Very low	27.1	Very low	208 Å²	208	132.9 Å²	132.9	79%	0.785	77%	0.77	S	S	*	*			trans	-129.3	155.4	-173.8	-66	179.9	-177	176.4	1.6	112.2	E448	E448-R450 IonicContact OE1-NE 3.75Å; E448-R450 IonicContact OE1-NH2 3.7Å
451	E	26.9	Very low	27	Very low	187 Å²	187	131.3 Å²	131.3	87%	0.874	77%	0.771	S	S	*	*			trans	163.7	123.3	136.3	-89.6	163.4	-169.7	0	0	106.8
452	E	28.7	Very low	27.2	Very low	141 Å²	141	134.9 Å²	134.9	66%	0.659	78%	0.779	S	S	*	*			cis	97.8	112.4	44.4	-83.3	-108.8	105.3	0	0	113.8
453	K	27.4	Very low	27.2	Very low	150 Å²	150	133.7 Å²	133.7	65%	0.652	78%	0.779	S	S	*	*			trans	64	161.1	149.7	-70.5	162.9	-176.8	144.9	0	118.7
454	E	25.6	Very low	27.4	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	79%	0.785	S	S	*	*			cis	-141	149.4	-1.8	-120.2	145.5	-142.2	0	0	105.9
455	A	26.5	Very low	27.5	Very low	87 Å²	87	133.7 Å²	133.7	72%	0.719	78%	0.784	S	S	*	*			cis	81.7	100.1	35.2	0	0	0	0	0	115.9
456	L	26.5	Very low	27.6	Very low	182 Å²	182	136.1 Å²	136.1	95%	0.953	79%	0.789	S	S	*	*			trans	-162.6	156.4	155.7	-114.8	161.1	0	0	0	110.5
457	A	29.4	Very low	27.5	Very low	81 Å²	81	137.8 Å²	137.8	67%	0.669	79%	0.791	S	S	*	*			trans	-153.3	160.4	-166.9	0	0	0	0	0	113.4
458	N	26.7	Very low	27.4	Very low	163 Å²	163	138.1 Å²	138.1	87%	0.872	79%	0.787	S	S	*	*			trans	159.8	166.7	148.3	-87.8	-12.7	0	0	0	111.2
459	A	28.8	Very low	27.3	Very low	87 Å²	87	136.4 Å²	136.4	72%	0.719	79%	0.793	S	S	*	*			cis	-179.1	148	-39.5	0	0	0	0	0	109
460	G	25.3	Very low	27.2	Very low	80 Å²	80	137.5 Å²	137.5	83%	0.825	80%	0.795	S	S	*	*			trans	80.1	135.6	173.4	0	0	0	0	0	115.4
461	G	26.9	Very low	27.1	Very low	76 Å²	76	133.7 Å²	133.7	78%	0.784	80%	0.8	S	S	*	*			cis	104.1	122.6	-11.7	0	0	0	0	0	115.7
462	E	29.3	Very low	27.1	Very low	196 Å²	196	129.4 Å²	129.4	92%	0.916	80%	0.797	S	S	*	*			trans	-167.7	148	146.1	-113.5	171.9	-170	0	0	110.2
463	D	27.1	Very low	26.9	Very low	155 Å²	155	129.7 Å²	129.7	83%	0.829	80%	0.798	S	S	*	*			trans	-112.7	161.4	-171.8	-61.1	-76.4	0	0	0	112.3
464	V	30.1	Very low	26.8	Very low	148 Å²	148	128.5 Å²	128.5	90%	0.897	80%	0.803	S	S	*	*			trans	-142.9	109.6	156.5	-174.4	0	0	0	0	110.4
465	D	27.9	Very low	26.8	Very low	149 Å²	149	130.3 Å²	130.3	80%	0.797	80%	0.803	S	S	*	*			trans	-77.1	150.5	163.3	-85.9	-55.7	0	0	0	111.4
466	M	27.4	Very low	26.7	Very low	172 Å²	172	133.3 Å²	133.3	85%	0.847	80%	0.802	S	S	*	*			trans	-161	98.1	140.9	-154.3	61.3	165.5	0	0	115.3
467	D	25.5	Very low	26.7	Very low	139 Å²	139	132.6 Å²	132.6	74%	0.743	79%	0.794	S	S	*	*			trans	60.6	-170	141	-146.1	-9.5	0	0	0	119.4
468	S	26.2	Very low	26.5	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	80%	0.801	S	S	*	*			trans	-143.7	170.8	-138.9	66.9	0	0	0	0	114.5
469	S	26	Very low	26.4	Very low	124 Å²	124	132.1 Å²	132.1	87%	0.867	79%	0.794	S	S	*	*			trans	-174.3	154.3	133	36.5	0	0	0	0	111
470	A	25.1	Very low	26.3	Very low	102 Å²	102	134.4 Å²	134.4	84%	0.843	80%	0.798	S	S	*	*			trans	-114	148.5	172.8	0	0	0	0	0	110.1
471	S	26.1	Very low	26.3	Very low	128 Å²	128	139.1 Å²	139.1	90%	0.895	80%	0.796	S	S	*	*			trans	-152.1	138.1	158.5	49.6	0	0	0	0	110.2
472	A	26.5	Very low	26.3	Very low	97 Å²	97	141.6 Å²	141.6	80%	0.802	80%	0.797	S	S	*	*			trans	-121.8	129.9	170.8	0	0	0	0	0	107.6
473	E	25.6	Very low	26.4	Very low	146 Å²	146	138.3 Å²	138.3	68%	0.682	79%	0.792	S	S	*	*			trans	-122	116	163.7	-83.3	-140.9	160.8	0	0	110.1	R475	E473-R475 IonicContact OE1-NH2 3.18Å; E473-R475 PolarHBondContact OE1-NH2 3.26Å; E473-R475 VanDerWaalsContact OE1-NH2 3.13Å; E473-R475 IonicContact OE2-CZ 3.18Å; E473-R475 IonicContact OE2-NE 3.85Å; E473-R475 PolarHBondContact OE2-NE 2.8Å; E473-R475 IonicContact OE2-NH2 2.8Å; E473-R475 PolarHBondContact OE2-NH2 3.02Å
474	T	23.3	Very low	26.4	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	79%	0.791	S	S	*	*			trans	-83.9	128.5	163.4	-55	0	0	0	0	108.3
475	R	26.9	Very low	26.2	Very low	203 Å²	203	133.4 Å²	133.4	77%	0.766	79%	0.789	S	S	*	*			trans	-133.5	138.9	161.9	-64.8	-168.7	-171.3	-136.8	-3.3	110.8	E473	E473-R475 IonicContact OE1-NH2 3.18Å; E473-R475 PolarHBondContact OE1-NH2 3.26Å; E473-R475 VanDerWaalsContact OE1-NH2 3.13Å; E473-R475 IonicContact OE2-CZ 3.18Å; E473-R475 IonicContact OE2-NE 3.85Å; E473-R475 PolarHBondContact OE2-NE 2.8Å; E473-R475 IonicContact OE2-NH2 2.8Å; E473-R475 PolarHBondContact OE2-NH2 3.02Å
476	Q	24.9	Very low	26.2	Very low	151 Å²	151	135.7 Å²	135.7	71%	0.706	80%	0.795	S	S	*	*			trans	-93.6	165.4	-175.5	-82.9	163.5	-108.6	0	0	112.3
477	E	24.7	Very low	26.3	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	80%	0.796	S	S	*	*			trans	55.7	118.1	144.2	-74	154.5	-135.3	0	0	120.7
478	A	26.2	Very low	26.5	Very low	98 Å²	98	132 Å²	132	81%	0.81	80%	0.803	S	S	*	*				-150.6	134.6	109.7	0	0	0	0	0	110.3
479	D	25.2	Very low	26.6	Very low	136 Å²	136	131.3 Å²	131.3	73%	0.727	81%	0.811	S	S	*	*			trans	-99.3	132.6	170.1	-176.9	11	0	0	0	109
480	V	26.6	Very low	26.8	Very low	135 Å²	135	132.4 Å²	132.4	82%	0.818	81%	0.807	S	S	*	*			trans	-136.4	107.7	170.6	-177.2	0	0	0	0	109.4
481	K	25.5	Very low	27	Very low	179 Å²	179	134.2 Å²	134.2	78%	0.778	81%	0.808	S	S	*	*			trans	-130.3	112.2	-172.7	-155.4	-175.2	-163.3	173.5	0	109
482	T	25.8	Very low	27.1	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	80%	0.797	S	S	*	*			trans	-157.6	159.3	170.4	12.3	0	0	0	0	109.5
483	P	32.6	Very low	27.3	Very low	126 Å²	126	137.9 Å²	137.9	82%	0.818	80%	0.801	S	S	*	*				-124	-172.2	-115.9	41.2	-27.5	0	0	0	114.8
484	A	26.6	Very low	27.5	Very low	98 Å²	98	137.2 Å²	137.2	81%	0.81	81%	0.809	S	S	*	*			trans	-67.3	159.7	178.1	0	0	0	0	0	113.8
485	A	26.7	Very low	28	Very low	103 Å²	103	142.2 Å²	142.2	85%	0.851	81%	0.814	S	S	*	*			trans	-128.5	123.7	161	0	0	0	0	0	108.8
486	E	27.6	Very low	28.3	Very low	196 Å²	196	138.5 Å²	138.5	92%	0.916	81%	0.814	S	S	*	*			trans	-85.1	148.2	169.8	-61.6	-179.5	139.5	0	0	109.8
487	S	29.4	Very low	29.1	Very low	125 Å²	125	137.7 Å²	137.7	87%	0.874	82%	0.822	S	S	*	*			trans	-146.7	137.4	158.2	60.8	0	0	0	0	110.2
488	A	29.8	Very low	29.6	Very low	109 Å²	109	133.3 Å²	133.3	90%	0.901	82%	0.822	S	S	*	*			trans	-106.5	150.3	-178.3	0	0	0	0	0	110.9
489	G	27.3	Very low	30.5	Very low	80 Å²	80	131.9 Å²	131.9	83%	0.825	82%	0.816	S	S	*	*			trans	-171.8	90.3	178.1	0	0	0	0	0	111.2
490	D	29.6	Very low	31.7	Very low	148 Å²	148	129.1 Å²	129.1	79%	0.791	80%	0.804	S	S	*	*			trans	-86.3	141.5	176.5	176.7	40.6	0	0	0	111.8
491	T	30.1	Very low	33.3	Very low	139 Å²	139	131.4 Å²	131.4	85%	0.853	81%	0.806	S	S	*	*			trans	-144.8	109.1	156.6	48.9	0	0	0	0	108.7
492	G	28.8	Very low	35.9	Very low	64 Å²	64	128.5 Å²	128.5	66%	0.66	80%	0.795	S	S	*	*			trans	-79.3	155.5	-165.4	0	0	0	0	0	117.2
493	R	29.4	Very low	38.8	Very low	239 Å²	239	124.1 Å²	124.1	90%	0.902	77%	0.765	S	S	*	*			trans	-125.7	148.8	152.2	-95.8	-174.1	171.6	-174.5	-1.6	108.8	R495	R493-R495 PolarHBondContact O-N 2.72Å
494	P	31.3	Very low	41.6	Very low	131 Å²	131	119.4 Å²	119.4	85%	0.851	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-66.3	123	-168.4	25.5	-34.4	0	0	0	112.2
495	R	32.5	Very low	44.7	Very low	231 Å²	231	114.7 Å²	114.7	87%	0.872	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-81.9	134.9	170.8	-77	-178.5	167.3	-168.8	-4.2	110.5	R493	R493-R495 PolarHBondContact O-N 2.72Å
496	T	34.3	Very low	47.8	Very low	125 Å²	125	111.6 Å²	111.6	77%	0.767	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-62.9	160.6	167.1	44	0	0	0	0	111.8	G498	T496-G498 PolarHBondContact O-N 2.97Å
497	P	40.9	Very low	50.9	Low	134 Å²	134	102.3 Å²	102.3	87%	0.87	62%	0.618	S	S	*	*	S	Bend	trans	-51.4	128.2	-174.6	-28.9	36.2	0	0	0	113.4
498	G	34.8	Very low	54	Low	75 Å²	75	98.6 Å²	98.6	77%	0.773	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-64.3	137.2	-167.9	0	0	0	0	0	114.1	T496	T496-G498 PolarHBondContact O-N 2.97Å
499	G	45.7	Very low	57.1	Low	67 Å²	67	93.4 Å²	93.4	69%	0.691	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-69.7	147.5	160.6	0	0	0	0	0	110.3	E501	G499-E501 PolarHBondContact O-N 3.36Å; G499-E501 VanDerWaalsContact O-N 3.13Å
500	V	51.3	Low	60.2	Low	78 Å²	78	90.5 Å²	90.5	47%	0.473	51%	0.51	S	S	.	.			trans	-70.9	109.3	178.1	-169.2	0	0	0	0	109.2	L354 V372 H502	L354-V500 HydrophobicContact CD1-CG2 4.31Å; V372-V500 HydrophobicContact CG1-CG1 4.39Å; V372-V500 HydrophobicContact CG2-CG1 4.12Å; V500-H502 WeakPolarHBondContact CG1-O 3.31Å; V500-H502 PolarHBondContact O-N 3.25Å
501	E	59.3	Low	63.2	Low	184 Å²	184	83.4 Å²	83.4	86%	0.86	47%	0.473	S	S	*	.	S	Bend	trans	-69.8	-17.7	-175.1	-64.2	-172	153.3	0	0	113.6	G499	G499-E501 PolarHBondContact O-N 3.36Å; G499-E501 VanDerWaalsContact O-N 3.13Å
502	H	79.4	Confident	66.1	Low	118 Å²	118	79 Å²	79	55%	0.546	44%	0.444	S	S	.	.			trans	-117	123.2	176.2	-164.2	87.2	0	0	0	112.2	V500	V500-H502 WeakPolarHBondContact CG1-O 3.31Å; V500-H502 PolarHBondContact O-N 3.25Å
503	F	87.7	Confident	69	Low	36 Å²	36	78.7 Å²	78.7	16%	0.158	43%	0.43	C	S	.	.			trans	-151	151.9	174	59	-88.4	0	0	0	111.4	T370 K506 E526 Q528	T370-F503 HydrophobicContact CG2-CB 4.08Å; F503-K506 HydrophobicContact CD2-CD 4.41Å; F503-K506 HydrophobicContact CD2-CG 3.8Å; F503-K506 VanDerWaalsContact CE1-CE 3.43Å; F503-K506 HydrophobicContact CE2-CD 4.29Å; F503-K506 HydrophobicContact CE2-CG 3.93Å; F503-K506 HydrophobicContact CG-CG 4.35Å; F503-K506 HydrophobicContact CZ-CD 4.45Å; F503-E526 HydrophobicContact CE2-CG 3.82Å; F503-E526 HydrophobicContact CZ-CG 4.07Å; F503-Q528 PolarHBondContact O-NE2 3Å
504	L	90.1	Very high	71.7	Confident	27 Å²	27	71.7 Å²	71.7	14%	0.141	41%	0.407	C	S	.	.	S	Bend	trans	-78.4	-47.5	177.5	-60.9	173.4	0	0	0	111.2	A371 E373 N374 W376 G527 Q528 L532	A371-L504 WeakPolarHBondContact O-CB 3.33Å; A371-L504 PolarHBondContact O-N 3Å; E373-L504 VanDerWaalsContact C-CD1 3.48Å; N374-L504 HydrophobicContact CB-CD1 3.84Å; W376-L504 HydrophobicContact CH2-CD1 4.26Å; L504-G527 CarbonylContact O-C 3.56Å; L504-G527 WeakPolarHBondContact O-CA 3.32Å; L504-Q528 PolarHBondContact O-N 2.76Å; L504-L532 HydrophobicContact CB-CD1 3.97Å; L504-L532 HydrophobicContact CD1-CD1 4.34Å; L504-L532 HydrophobicContact CD2-CD1 4.18Å; L504-L532 HydrophobicContact CG-CD1 4.4Å
505	F	91.9	Very high	74.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	162.7	171.8	63.6	-89.7	0	0	0	112.3	A371 W376 C507 W524 E526 L532 M533 L536	A371-F505 HydrophobicContact CB-CD1 4.1Å; A371-F505 HydrophobicContact CB-CD2 4.42Å; A371-F505 HydrophobicContact CB-CE1 3.73Å; A371-F505 HydrophobicContact CB-CE2 4.08Å; A371-F505 HydrophobicContact CB-CG 4.42Å; A371-F505 HydrophobicContact CB-CZ 3.72Å; A371-F505 PolarHBondContact N-O 2.85Å; W376-F505 AromaticContact CH2-CE1 3.95Å; W376-F505 HydrophobicContact CH2-CE1 3.95Å; W376-F505 HydrophobicContact CH2-CZ 4.31Å; W376-F505 AromaticContact CZ2-CE1 3.81Å; W376-F505 HydrophobicContact CZ2-CE1 3.81Å; W376-F505 HydrophobicContact CZ2-CZ 4.28Å; F505-C507 HydrophobicContact CD2-CB 4.39Å; F505-W524 HydrophobicContact CB-CE3 4.39Å; F505-W524 HydrophobicContact CB-CH2 3.72Å; F505-W524 HydrophobicContact CB-CZ3 3.48Å; F505-W524 VanDerWaalsContact CB-CZ3 3.48Å; F505-W524 HydrophobicContact CG-CZ3 4.1Å; F505-E526 CarbonylContact C-O 3.52Å; F505-E526 VanDerWaalsContact CA-O 3.3Å; F505-E526 WeakPolarHBondContact CA-O 3.44Å; F505-E526 WeakPolarHBondContact CB-O 3.37Å; F505-L532 HydrophobicContact CD1-CB 3.83Å; F505-L532 HydrophobicContact CE1-CB 3.72Å; F505-M533 HydrophobicContact CD1-CB 4.46Å; F505-M533 HydrophobicContact CD2-CB 4.01Å; F505-M533 HydrophobicContact CD2-CG 4.1Å; F505-M533 HydrophobicContact CE1-CB 4.34Å; F505-M533 HydrophobicContact CE2-CB 3.89Å; F505-M533 HydrophobicContact CE2-CG 3.81Å; F505-M533 HydrophobicContact CG-CB 4.31Å; F505-M533 HydrophobicContact CZ-CB 4.06Å; F505-M533 HydrophobicContact CZ-CG 4.34Å; F505-L536 HydrophobicContact CE2-CD2 4.15Å; F505-L536 HydrophobicContact CZ-CB 4.15Å; F505-L536 HydrophobicContact CZ-CD2 3.72Å
506	K	92.2	Very high	76.5	Confident	38 Å²	38	63.2 Å²	63.2	17%	0.165	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.2	166.3	-50.9	-172.8	-164.9	147.6	0	109.4	F368 L369 T370 F503 V525 E526	F368-K506 HydrophobicContact CE1-CB 4.28Å; F368-K506 HydrophobicContact CE1-CD 4.04Å; F368-K506 HydrophobicContact CZ-CB 4.02Å; F368-K506 HydrophobicContact CZ-CD 4.05Å; L369-K506 WeakPolarHBondContact O-CA 3.47Å; L369-K506 WeakPolarHBondContact O-CB 3.12Å; T370-K506 HydrophobicContact CG2-CD 4.26Å; T370-K506 HydrophobicContact CG2-CG 4.04Å; T370-K506 WeakPolarHBondContact OG1-CD 3.48Å; T370-K506 WeakPolarHBondContact OG1-CG 3.43Å; F503-K506 HydrophobicContact CD2-CD 4.41Å; F503-K506 HydrophobicContact CD2-CG 3.8Å; F503-K506 VanDerWaalsContact CE1-CE 3.43Å; F503-K506 HydrophobicContact CE2-CD 4.29Å; F503-K506 HydrophobicContact CE2-CG 3.93Å; F503-K506 HydrophobicContact CG-CG 4.35Å; F503-K506 HydrophobicContact CZ-CD 4.45Å; K506-V525 HydrophobicContact CB-CB 4.48Å; K506-V525 WeakPolarHBondContact O-CB 3.21Å; K506-V525 PolarHBondContact O-N 3.38Å; K506-V525 VanDerWaalsContact O-N 3.1Å; K506-E526 HydrophobicContact CB-CG 3.99Å; K506-E526 HydrophobicContact CD-CG 4.11Å; K506-E526 VanDerWaalsContact CD-OE1 3.24Å; K506-E526 WeakPolarHBondContact CD-OE1 3.5Å; K506-E526 VanDerWaalsContact CE-OE1 3.28Å; K506-E526 WeakPolarHBondContact CE-OE1 3.31Å; K506-E526 HydrophobicContact CG-CG 4.07Å; K506-E526 PolarHBondContact N-O 3.17Å; K506-E526 IonicContact NZ-OE1 3.83Å; K506-E526 PolarHBondContact NZ-OE1 3.31Å; K506-E526 PolarHBondContact O-N 2.81Å
507	C	93.8	Very high	79.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154.3	179.7	61.3	0	0	0	0	110.9	L369 F505 H523 M533	L369-C507 PolarHBondContact N-O 3.41Å; L369-C507 PolarHBondContact O-N 3.12Å; L369-C507 VanDerWaalsContact O-N 3.14Å; F505-C507 HydrophobicContact CD2-CB 4.39Å; C507-H523 CarbonylContact C-O 3.4Å; C507-H523 WeakPolarHBondContact CA-O 3.48Å; C507-H523 WeakPolarHBondContact CB-O 3.45Å; C507-M533 HydrophobicContact CB-CG 4.35Å; C507-M533 HydrophobicContact CB-SD 3.43Å; C507-M533 WeakPolarHBondContact CB-SD 3.18Å
508	L	93.8	Very high	81.5	Confident	48 Å²	48	53.4 Å²	53.4	25%	0.251	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.2	169.1	-172.2	74.4	0	0	0	107.8	A358 F368 N510 H523	A358-L508 HydrophobicContact CB-CD1 4.03Å; F368-L508 HydrophobicContact CB-CD1 4.37Å; F368-L508 HydrophobicContact CD2-CD1 4.47Å; L508-N510 WeakPolarHBondContact CG-OD1 3.4Å; L508-H523 HydrophobicContact CB-CB 4.3Å; L508-H523 PolarHBondContact N-O 2.86Å; L508-H523 PolarHBondContact O-N 2.83Å
509	L	94.7	Very high	84.2	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.8	171.1	-177.9	158.4	0	0	0	108.3	L344 S366 L367 L369 V511 V520 E521 M522 L540	L344-L509 HydrophobicContact CD1-CD2 4.06Å; S366-L509 CarbonylContact C-O 3.44Å; S366-L509 WeakPolarHBondContact CA-O 3.48Å; L367-L509 HydrophobicContact CB-CB 4.42Å; L367-L509 HydrophobicContact CD1-CD2 4.4Å; L367-L509 PolarHBondContact N-O 3.17Å; L367-L509 PolarHBondContact O-N 3.01Å; L369-L509 HydrophobicContact CD1-CB 3.91Å; L369-L509 HydrophobicContact CD1-CD1 4.04Å; L369-L509 HydrophobicContact CG-CB 4.19Å; L509-V511 HydrophobicContact CD2-CG2 3.75Å; L509-V520 HydrophobicContact CD1-CG1 4.2Å; L509-V520 HydrophobicContact CD2-CG1 3.99Å; L509-V520 HydrophobicContact CG-CG1 4.05Å; L509-E521 CarbonylContact C-O 3.5Å; L509-E521 VanDerWaalsContact CA-O 3.25Å; L509-E521 WeakPolarHBondContact CA-O 3.48Å; L509-M522 HydrophobicContact CB-CG 4.25Å; L509-M522 HydrophobicContact CD1-CE 4.46Å; L509-M522 HydrophobicContact CD1-CG 4.01Å; L509-M522 HydrophobicContact CD1-SD 4.14Å; L509-M522 HydrophobicContact CG-CG 4.03Å; L509-L540 HydrophobicContact CD1-CD1 3.97Å
510	N	92.9	Very high	86.5	Confident	18 Å²	18	46.8 Å²	46.8	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.5	173.9	-68.5	-4.4	0	0	0	109.8	Q365 S366 L508 I512 V520 E521	Q365-N510 CarbonylContact O-C 3.6Å; Q365-N510 WeakPolarHBondContact O-CA 3.24Å; S366-N510 WeakPolarHBondContact CB-OD1 3.16Å; S366-N510 PolarHBondContact OG-OD1 3.42Å; L508-N510 WeakPolarHBondContact CG-OD1 3.4Å; N510-I512 HydrophobicContact CB-CD1 3.97Å; N510-I512 HydrophobicContact CB-CG1 3.98Å; N510-V520 CarbonylContact O-C 3.33Å; N510-V520 WeakPolarHBondContact O-CA 3.25Å; N510-E521 HydrophobicContact CB-CB 4.49Å; N510-E521 PolarHBondContact N-O 3.02Å; N510-E521 PolarHBondContact O-N 2.82Å
511	V	92.2	Very high	88.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.2	169.4	-170.6	0	0	0	0	107	V337 I340 T341 L344 E364 Q365 L509 V518 G519 V520	V337-V511 HydrophobicContact CB-CG1 4.49Å; V337-V511 HydrophobicContact CG1-CB 4.01Å; V337-V511 HydrophobicContact CG1-CG1 3.88Å; V337-V511 WeakPolarHBondContact CG1-O 3.47Å; I340-V511 HydrophobicContact CB-CG1 4.29Å; I340-V511 HydrophobicContact CG2-CG1 3.88Å; T341-V511 WeakPolarHBondContact OG1-CG2 3.49Å; L344-V511 HydrophobicContact CD1-CG2 3.76Å; E364-V511 WeakPolarHBondContact CA-O 3.46Å; E364-V511 WeakPolarHBondContact CB-O 3.35Å; Q365-V511 PolarHBondContact N-O 3.06Å; Q365-V511 PolarHBondContact O-N 3.34Å; L509-V511 HydrophobicContact CD2-CG2 3.75Å; V511-V518 HydrophobicContact CG1-CG1 3.43Å; V511-V518 VanDerWaalsContact CG1-CG1 3.43Å; V511-G519 WeakPolarHBondContact CA-O 3.42Å; V511-V520 HydrophobicContact CG1-CG2 4.44Å
512	I	91.6	Very high	90.2	Very high	47 Å²	47	36.6 Å²	36.6	24%	0.241	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.8	-164.8	-53	176.4	0	0	0	108.8	E364 N510 E514 G519 E521	E364-I512 HydrophobicContact CB-CG1 4.34Å; N510-I512 HydrophobicContact CB-CD1 3.97Å; N510-I512 HydrophobicContact CB-CG1 3.98Å; I512-E514 PolarHBondContact O-N 3.49Å; I512-G519 PolarHBondContact N-O 3.16Å; I512-G519 PolarHBondContact O-N 2.84Å; I512-E521 HydrophobicContact CD1-CG 4.26Å
513	P	89	Confident	90.7	Very high	56 Å²	56	34 Å²	34	36%	0.364	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.8	174.3	28.4	-33	0	0	0	111	V337 Q363	V337-P513 HydrophobicContact CG2-CB 4.34Å; Q363-P513 WeakPolarHBondContact O-CD 3.48Å
514	E	86.3	Confident	90.8	Very high	93 Å²	93	35.9 Å²	35.9	44%	0.435	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	61	176.4	-68.9	-169.4	135.1	0	0	109.4	T311 I512 N516 D517 G519	T311-E514 WeakPolarHBondContact CB-OE2 3.24Å; T311-E514 WeakPolarHBondContact CG2-OE2 3.48Å; T311-E514 PolarHBondContact OG1-OE2 3.44Å; I512-E514 PolarHBondContact O-N 3.49Å; E514-N516 PolarHBondContact O-N 3.4Å; E514-D517 CarbonylContact C-O 3.58Å; E514-D517 HydrophobicContact CB-CB 4.27Å; E514-D517 PolarHBondContact N-O 3.35Å; E514-D517 PolarHBondContact O-N 3.47Å; E514-G519 VanDerWaalsContact OE2-CA 3.24Å; E514-G519 WeakPolarHBondContact OE2-CA 3.49Å
515	G	84.3	Confident	90.6	Very high	70 Å²	70	38.1 Å²	38.1	72%	0.722	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	-115.3	-171.4	0	0	0	0	0	110.9
516	N	81	Confident	90.4	Very high	114 Å²	114	42 Å²	42	61%	0.61	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-16.8	172	-68.7	13.9	0	0	0	112.7	E314 E514	E314-N516 HydrophobicContact CB-CB 4.07Å; E314-N516 HydrophobicContact CG-CB 3.96Å; E314-N516 VanDerWaalsContact OE2-CB 3.31Å; E314-N516 WeakPolarHBondContact OE2-CB 3.41Å; E314-N516 PolarHBondContact OE2-ND2 3.05Å; E514-N516 PolarHBondContact O-N 3.4Å
517	D	88.9	Confident	90	Very high	50 Å²	50	41.8 Å²	41.8	27%	0.267	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	169	177.9	-73.4	3.8	0	0	0	110.8	T311 L312 P313 E314 E514	T311-D517 HydrophobicContact CG2-CB 3.56Å; L312-D517 WeakPolarHBondContact O-CA 3.41Å; L312-D517 WeakPolarHBondContact O-CB 3.42Å; P313-D517 VanDerWaalsContact CA-OD1 3.3Å; P313-D517 WeakPolarHBondContact CA-OD1 3.21Å; E314-D517 PolarHBondContact N-OD1 3.21Å; E514-D517 CarbonylContact C-O 3.58Å; E514-D517 HydrophobicContact CB-CB 4.27Å; E514-D517 PolarHBondContact N-O 3.35Å; E514-D517 PolarHBondContact O-N 3.47Å
518	V	90.9	Very high	89.4	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.7	173	177.1	0	0	0	0	110.6	L312 V317 I340 V511	L312-V518 WeakPolarHBondContact CB-O 3.49Å; L312-V518 PolarHBondContact N-O 2.99Å; L312-V518 PolarHBondContact O-N 2.98Å; V317-V518 HydrophobicContact CG1-CG2 4.2Å; V317-V518 HydrophobicContact CG2-CB 4.2Å; V317-V518 HydrophobicContact CG2-CG2 4.02Å; I340-V518 HydrophobicContact CD1-CB 3.71Å; I340-V518 HydrophobicContact CD1-CG1 3.8Å; I340-V518 HydrophobicContact CD1-CG2 3.86Å; I340-V518 HydrophobicContact CG2-CG1 4.47Å; V511-V518 HydrophobicContact CG1-CG1 3.43Å; V511-V518 VanDerWaalsContact CG1-CG1 3.43Å
519	G	91.6	Very high	88.7	Confident	2 Å²	2	49 Å²	49	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.2	173.1	0	0	0	0	0	111.7	V511 I512 E514	V511-G519 WeakPolarHBondContact CA-O 3.42Å; I512-G519 PolarHBondContact N-O 3.16Å; I512-G519 PolarHBondContact O-N 2.84Å; E514-G519 VanDerWaalsContact OE2-CA 3.24Å; E514-G519 WeakPolarHBondContact OE2-CA 3.49Å
520	V	93.6	Very high	88.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.6	170.4	-178.4	0	0	0	0	108.4	S309 F310 L312 I340 L344 L509 N510 V511	S309-V520 CarbonylContact C-O 3.35Å; S309-V520 WeakPolarHBondContact CA-O 3.2Å; F310-V520 HydrophobicContact CD1-CB 4.17Å; F310-V520 HydrophobicContact CD1-CG1 4.45Å; F310-V520 HydrophobicContact CD2-CB 4.29Å; F310-V520 HydrophobicContact CE1-CB 3.77Å; F310-V520 HydrophobicContact CE1-CG1 3.71Å; F310-V520 HydrophobicContact CE2-CB 3.89Å; F310-V520 HydrophobicContact CE2-CG1 4.49Å; F310-V520 HydrophobicContact CE2-CG2 3.88Å; F310-V520 HydrophobicContact CG-CB 4.43Å; F310-V520 HydrophobicContact CZ-CB 3.63Å; F310-V520 HydrophobicContact CZ-CG1 3.74Å; F310-V520 HydrophobicContact CZ-CG2 3.9Å; F310-V520 PolarHBondContact N-O 2.94Å; F310-V520 PolarHBondContact O-N 3.2Å; L312-V520 HydrophobicContact CD1-CG2 4.17Å; I340-V520 HydrophobicContact CG2-CG2 4.31Å; L344-V520 HydrophobicContact CD1-CG1 4.15Å; L344-V520 HydrophobicContact CD1-CG2 4.23Å; L509-V520 HydrophobicContact CD1-CG1 4.2Å; L509-V520 HydrophobicContact CD2-CG1 3.99Å; L509-V520 HydrophobicContact CG-CG1 4.05Å; N510-V520 CarbonylContact O-C 3.33Å; N510-V520 WeakPolarHBondContact O-CA 3.25Å; V511-V520 HydrophobicContact CG1-CG2 4.44Å
521	E	94.3	Very high	87.9	Confident	48 Å²	48	55 Å²	55	22%	0.224	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.5	179	-62.5	-151.7	124.4	0	0	112	P307 L509 N510 I512 H523	P307-E521 HydrophobicContact CB-CB 4.12Å; P307-E521 HydrophobicContact CG-CB 4.39Å; P307-E521 VanDerWaalsContact CG-CD 3.46Å; P307-E521 HydrophobicContact CG-CG 4.34Å; P307-E521 WeakPolarHBondContact CG-OE1 3.35Å; L509-E521 CarbonylContact C-O 3.5Å; L509-E521 VanDerWaalsContact CA-O 3.25Å; L509-E521 WeakPolarHBondContact CA-O 3.48Å; N510-E521 HydrophobicContact CB-CB 4.49Å; N510-E521 PolarHBondContact N-O 3.02Å; N510-E521 PolarHBondContact O-N 2.82Å; I512-E521 HydrophobicContact CD1-CG 4.26Å; E521-H523 IonicContact OE2-CD2 2.84Å; E521-H523 IonicContact OE2-CE1 3.97Å; E521-H523 PolarHBondContact OE2-CE1 2.94Å; E521-H523 IonicContact OE2-NE2 3.56Å; E521-H523 PolarHBondContact OE2-NE2 3.45Å
522	M	93.6	Very high	87.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.4	170.6	-64.3	-178.6	70.5	0	0	111.4	P307 L308 L369 L509 M533 L536 R537 L540	P307-M522 WeakPolarHBondContact CA-O 3.35Å; L308-M522 HydrophobicContact CB-CB 4.45Å; L308-M522 PolarHBondContact N-O 3.14Å; L308-M522 PolarHBondContact O-N 3.41Å; L308-M522 VanDerWaalsContact O-N 3.07Å; L369-M522 HydrophobicContact CD1-CE 4.04Å; L509-M522 HydrophobicContact CB-CG 4.25Å; L509-M522 HydrophobicContact CD1-CE 4.46Å; L509-M522 HydrophobicContact CD1-CG 4.01Å; L509-M522 HydrophobicContact CD1-SD 4.14Å; L509-M522 HydrophobicContact CG-CG 4.03Å; M522-M533 HydrophobicContact CB-CE 4.28Å; M522-M533 HydrophobicContact CB-SD 4.42Å; M522-M533 HydrophobicContact CE-CG 3.92Å; M522-M533 WeakPolarHBondContact O-CE 3.46Å; M522-L536 HydrophobicContact CE-CD2 4.13Å; M522-L536 HydrophobicContact CE-CG 4.35Å; M522-R537 HydrophobicContact SD-CB 3.56Å; M522-R537 VanDerWaalsContact SD-CB 3.56Å; M522-R537 HydrophobicContact SD-CG 4.16Å; M522-L540 HydrophobicContact SD-CD1 4.17Å
523	H	90.3	Very high	87.7	Confident	63 Å²	63	53.9 Å²	53.9	29%	0.292	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.8	-179.9	-66.9	-93.6	0	0	0	110.4	C507 L508 E521	C507-H523 CarbonylContact C-O 3.4Å; C507-H523 WeakPolarHBondContact CA-O 3.48Å; C507-H523 WeakPolarHBondContact CB-O 3.45Å; L508-H523 HydrophobicContact CB-CB 4.3Å; L508-H523 PolarHBondContact N-O 2.86Å; L508-H523 PolarHBondContact O-N 2.83Å; E521-H523 IonicContact OE2-CD2 2.84Å; E521-H523 IonicContact OE2-CE1 3.97Å; E521-H523 PolarHBondContact OE2-CE1 2.94Å; E521-H523 IonicContact OE2-NE2 3.56Å; E521-H523 PolarHBondContact OE2-NE2 3.45Å
524	W	89.3	Confident	87.8	Confident	77 Å²	77	54.2 Å²	54.2	29%	0.292	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	130.5	-180	176.9	-88.9	0	0	0	111.4	F505 K530 M533	F505-W524 HydrophobicContact CB-CE3 4.39Å; F505-W524 HydrophobicContact CB-CH2 3.72Å; F505-W524 HydrophobicContact CB-CZ3 3.48Å; F505-W524 VanDerWaalsContact CB-CZ3 3.48Å; F505-W524 HydrophobicContact CG-CZ3 4.1Å; W524-K530 HydrophobicContact CB-CD 4.36Å; W524-K530 HydrophobicContact CD2-CB 4.49Å; W524-K530 HydrophobicContact CD2-CD 3.99Å; W524-K530 HydrophobicContact CD2-CG 4.23Å; W524-K530 HydrophobicContact CE3-CB 4.01Å; W524-K530 HydrophobicContact CE3-CD 4.02Å; W524-K530 HydrophobicContact CE3-CG 3.75Å; W524-K530 HydrophobicContact CG-CD 4.17Å; W524-K530 HydrophobicContact CH2-CB 4.1Å; W524-K530 VanDerWaalsContact CZ3-CA 3.47Å; W524-K530 HydrophobicContact CZ3-CB 3.83Å; W524-K530 HydrophobicContact CZ3-CG 4.05Å; W524-M533 HydrophobicContact CB-CE 4.2Å; W524-M533 HydrophobicContact CB-SD 4.29Å; W524-M533 HydrophobicContact CE3-CB 4.23Å; W524-M533 HydrophobicContact CE3-CE 4.39Å; W524-M533 HydrophobicContact CE3-SD 3.77Å; W524-M533 HydrophobicContact CZ3-CB 4.19Å
525	V	86.9	Confident	88	Confident	73 Å²	73	53.6 Å²	53.6	44%	0.442	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-63.6	174.3	179.6	0	0	0	0	109.5	F368 K506	F368-V525 HydrophobicContact CE2-CG1 4.33Å; F368-V525 HydrophobicContact CE2-CG2 4.12Å; K506-V525 HydrophobicContact CB-CB 4.48Å; K506-V525 WeakPolarHBondContact O-CB 3.21Å; K506-V525 PolarHBondContact O-N 3.38Å; K506-V525 VanDerWaalsContact O-N 3.1Å
526	E	86.8	Confident	88.4	Confident	82 Å²	82	50.3 Å²	50.3	38%	0.383	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	165.4	-179.9	57.5	174.7	167.1	0	0	111.5	F503 F505 K506	F503-E526 HydrophobicContact CE2-CG 3.82Å; F503-E526 HydrophobicContact CZ-CG 4.07Å; F505-E526 CarbonylContact C-O 3.52Å; F505-E526 VanDerWaalsContact CA-O 3.3Å; F505-E526 WeakPolarHBondContact CA-O 3.44Å; F505-E526 WeakPolarHBondContact CB-O 3.37Å; K506-E526 HydrophobicContact CB-CG 3.99Å; K506-E526 HydrophobicContact CD-CG 4.11Å; K506-E526 VanDerWaalsContact CD-OE1 3.24Å; K506-E526 WeakPolarHBondContact CD-OE1 3.5Å; K506-E526 VanDerWaalsContact CE-OE1 3.28Å; K506-E526 WeakPolarHBondContact CE-OE1 3.31Å; K506-E526 HydrophobicContact CG-CG 4.07Å; K506-E526 PolarHBondContact N-O 3.17Å; K506-E526 IonicContact NZ-OE1 3.83Å; K506-E526 PolarHBondContact NZ-OE1 3.31Å; K506-E526 PolarHBondContact O-N 2.81Å
527	G	85.1	Confident	89	Confident	34 Å²	34	47.1 Å²	47.1	35%	0.351	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	152.1	174.6	177.7	0	0	0	0	0	115.1	L504	L504-G527 CarbonylContact O-C 3.56Å; L504-G527 WeakPolarHBondContact O-CA 3.32Å
528	Q	79.9	Confident	89.1	Confident	128 Å²	128	47.1 Å²	47.1	60%	0.598	24%	0.24	S	C	*	.	S	Bend	trans	-83.9	-38.8	-177.1	-55.6	177.5	23.6	0	0	112.4	F503 L504	F503-Q528 PolarHBondContact O-NE2 3Å; L504-Q528 PolarHBondContact O-N 2.76Å
529	N	79.6	Confident	89.1	Confident	70 Å²	70	49.5 Å²	49.5	37%	0.374	25%	0.249	S	C	.	.			trans	-146.3	127.2	-177.7	-175.1	-11.8	0	0	0	111.9	D531 L532	N529-D531 WeakPolarHBondContact OD1-CB 3.43Å; N529-D531 PolarHBondContact OD1-N 3.43Å; N529-L532 HydrophobicContact CB-CD1 3.96Å; N529-L532 HydrophobicContact CB-CG 4.07Å
530	K	84.4	Confident	89.1	Confident	50 Å²	50	49.4 Å²	49.4	22%	0.217	25%	0.248	C	C	.	.	H	α-helix	trans	-81.5	-20.2	-178.9	-171.2	159.5	-178.8	161	0	114.4	W524 L532 M533 N534	W524-K530 HydrophobicContact CB-CD 4.36Å; W524-K530 HydrophobicContact CD2-CB 4.49Å; W524-K530 HydrophobicContact CD2-CD 3.99Å; W524-K530 HydrophobicContact CD2-CG 4.23Å; W524-K530 HydrophobicContact CE3-CB 4.01Å; W524-K530 HydrophobicContact CE3-CD 4.02Å; W524-K530 HydrophobicContact CE3-CG 3.75Å; W524-K530 HydrophobicContact CG-CD 4.17Å; W524-K530 HydrophobicContact CH2-CB 4.1Å; W524-K530 VanDerWaalsContact CZ3-CA 3.47Å; W524-K530 HydrophobicContact CZ3-CB 3.83Å; W524-K530 HydrophobicContact CZ3-CG 4.05Å; K530-L532 PolarHBondContact O-N 2.6Å; K530-M533 WeakPolarHBondContact O-CB 3.42Å; K530-M533 PolarHBondContact O-N 2.72Å; K530-M533 VanDerWaalsContact O-N 3.14Å; K530-N534 PolarHBondContact O-N 3.31Å; K530-N534 VanDerWaalsContact O-N 3.11Å
531	D	86.4	Confident	89	Confident	95 Å²	95	54.2 Å²	54.2	51%	0.508	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-30.9	174.3	-65.8	-36.8	0	0	0	111.5	N529 M533 N534 Q535	N529-D531 WeakPolarHBondContact OD1-CB 3.43Å; N529-D531 PolarHBondContact OD1-N 3.43Å; D531-M533 VanDerWaalsContact C-N 3.31Å; D531-M533 PolarHBondContact O-N 3Å; D531-N534 WeakPolarHBondContact O-CB 3.28Å; D531-N534 PolarHBondContact O-N 2.82Å; D531-N534 VanDerWaalsContact O-N 3.15Å; D531-Q535 WeakPolarHBondContact O-CB 3.11Å; D531-Q535 VanDerWaalsContact O-CD 3.24Å; D531-Q535 WeakPolarHBondContact O-CG 3.16Å; D531-Q535 PolarHBondContact O-N 3.45Å; D531-Q535 PolarHBondContact O-OE1 2.91Å
532	L	88.4	Confident	88.7	Confident	24 Å²	24	55 Å²	55	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-40.6	171.9	-62.1	177.4	0	0	0	111.7	N374 W376 I377 L504 F505 N529 K530 Q535 L536	N374-L532 WeakPolarHBondContact ND2-CD2 3.44Å; W376-L532 HydrophobicContact CZ2-CB 4.33Å; W376-L532 PolarHBondContact NE1-O 3.2Å; I377-L532 HydrophobicContact CD1-CD2 4.42Å; L504-L532 HydrophobicContact CB-CD1 3.97Å; L504-L532 HydrophobicContact CD1-CD1 4.34Å; L504-L532 HydrophobicContact CD2-CD1 4.18Å; L504-L532 HydrophobicContact CG-CD1 4.4Å; F505-L532 HydrophobicContact CD1-CB 3.83Å; F505-L532 HydrophobicContact CE1-CB 3.72Å; N529-L532 HydrophobicContact CB-CD1 3.96Å; N529-L532 HydrophobicContact CB-CG 4.07Å; K530-L532 PolarHBondContact O-N 2.6Å; L532-Q535 PolarHBondContact O-N 3.36Å; L532-L536 PolarHBondContact O-N 3.37Å
533	M	91.6	Very high	88.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.4	-39	174.5	-169.2	-175.2	83.9	0	0	111.7	L308 F505 C507 M522 W524 K530 D531 Q535 L536 R537	L308-M533 HydrophobicContact CB-CE 4.24Å; L308-M533 HydrophobicContact CD1-CE 3.49Å; L308-M533 VanDerWaalsContact CD1-CE 3.49Å; L308-M533 HydrophobicContact CG-CE 3.68Å; F505-M533 HydrophobicContact CD1-CB 4.46Å; F505-M533 HydrophobicContact CD2-CB 4.01Å; F505-M533 HydrophobicContact CD2-CG 4.1Å; F505-M533 HydrophobicContact CE1-CB 4.34Å; F505-M533 HydrophobicContact CE2-CB 3.89Å; F505-M533 HydrophobicContact CE2-CG 3.81Å; F505-M533 HydrophobicContact CG-CB 4.31Å; F505-M533 HydrophobicContact CZ-CB 4.06Å; F505-M533 HydrophobicContact CZ-CG 4.34Å; C507-M533 HydrophobicContact CB-CG 4.35Å; C507-M533 HydrophobicContact CB-SD 3.43Å; C507-M533 WeakPolarHBondContact CB-SD 3.18Å; M522-M533 HydrophobicContact CB-CE 4.28Å; M522-M533 HydrophobicContact CB-SD 4.42Å; M522-M533 HydrophobicContact CE-CG 3.92Å; M522-M533 WeakPolarHBondContact O-CE 3.46Å; W524-M533 HydrophobicContact CB-CE 4.2Å; W524-M533 HydrophobicContact CB-SD 4.29Å; W524-M533 HydrophobicContact CE3-CB 4.23Å; W524-M533 HydrophobicContact CE3-CE 4.39Å; W524-M533 HydrophobicContact CE3-SD 3.77Å; W524-M533 HydrophobicContact CZ3-CB 4.19Å; K530-M533 WeakPolarHBondContact O-CB 3.42Å; K530-M533 PolarHBondContact O-N 2.72Å; K530-M533 VanDerWaalsContact O-N 3.14Å; D531-M533 VanDerWaalsContact C-N 3.31Å; D531-M533 PolarHBondContact O-N 3Å; M533-Q535 VanDerWaalsContact C-N 3.33Å; M533-L536 PolarHBondContact O-N 2.95Å; M533-R537 WeakPolarHBondContact O-CB 3.44Å; M533-R537 PolarHBondContact O-N 2.94Å
534	N	90.4	Very high	88.2	Confident	63 Å²	63	54.1 Å²	54.1	34%	0.337	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-35.8	175.6	-170.3	24.2	0	0	0	112.4	L308 K530 D531 T538	L308-N534 HydrophobicContact CD1-CB 3.59Å; K530-N534 PolarHBondContact O-N 3.31Å; K530-N534 VanDerWaalsContact O-N 3.11Å; D531-N534 WeakPolarHBondContact O-CB 3.28Å; D531-N534 PolarHBondContact O-N 2.82Å; D531-N534 VanDerWaalsContact O-N 3.15Å; N534-T538 VanDerWaalsContact O-CB 3.22Å; N534-T538 WeakPolarHBondContact O-CB 3.41Å; N534-T538 PolarHBondContact O-N 2.85Å; N534-T538 PolarHBondContact O-OG1 2.87Å
535	Q	90.5	Very high	87.8	Confident	80 Å²	80	53.3 Å²	53.3	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-40	174.3	-71	155.9	-7.1	0	0	111.1	I377 D531 L532 M533 T538 Y539	I377-Q535 HydrophobicContact CD1-CB 4.36Å; I377-Q535 HydrophobicContact CD1-CG 4.42Å; D531-Q535 WeakPolarHBondContact O-CB 3.11Å; D531-Q535 VanDerWaalsContact O-CD 3.24Å; D531-Q535 WeakPolarHBondContact O-CG 3.16Å; D531-Q535 PolarHBondContact O-N 3.45Å; D531-Q535 PolarHBondContact O-OE1 2.91Å; L532-Q535 PolarHBondContact O-N 3.36Å; M533-Q535 VanDerWaalsContact C-N 3.33Å; Q535-T538 PolarHBondContact O-N 3.21Å; Q535-Y539 PolarHBondContact O-N 2.89Å
536	L	92.5	Very high	87.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-50.5	171.7	179.7	59.8	0	0	0	111.3	L348 L351 V353 W376 F505 M522 L532 M533 T538 Y539 L540	L348-L536 HydrophobicContact CD2-CD2 4.35Å; L351-L536 HydrophobicContact CD1-CD1 3.62Å; V353-L536 HydrophobicContact CG1-CD2 4.46Å; V353-L536 HydrophobicContact CG2-CD2 4.23Å; W376-L536 HydrophobicContact CB-CD1 4.46Å; W376-L536 HydrophobicContact CD2-CB 4.2Å; W376-L536 HydrophobicContact CD2-CD1 4Å; W376-L536 HydrophobicContact CE3-CD1 4.06Å; W376-L536 HydrophobicContact CG-CB 4.44Å; W376-L536 HydrophobicContact CG-CD1 4.16Å; W376-L536 HydrophobicContact CZ2-CB 4.47Å; F505-L536 HydrophobicContact CE2-CD2 4.15Å; F505-L536 HydrophobicContact CZ-CB 4.15Å; F505-L536 HydrophobicContact CZ-CD2 3.72Å; M522-L536 HydrophobicContact CE-CD2 4.13Å; M522-L536 HydrophobicContact CE-CG 4.35Å; L532-L536 PolarHBondContact O-N 3.37Å; M533-L536 PolarHBondContact O-N 2.95Å; L536-T538 PolarHBondContact O-N 2.81Å; L536-Y539 WeakPolarHBondContact O-CA 3.48Å; L536-Y539 WeakPolarHBondContact O-CB 3.3Å; L536-Y539 PolarHBondContact O-N 3.49Å; L536-L540 HydrophobicContact CD1-CD1 4.25Å; L536-L540 HydrophobicContact CD1-CD2 4.38Å; L536-L540 HydrophobicContact CD1-CG 4.07Å; L536-L540 HydrophobicContact CG-CD1 4.04Å; L536-L540 HydrophobicContact CG-CG 4.31Å; L536-L540 WeakPolarHBondContact O-CG 3.4Å; L536-L540 PolarHBondContact O-N 3.35Å
537	R	93.9	Very high	85.9	Confident	48 Å²	48	54.7 Å²	54.7	18%	0.181	28%	0.277	C	S	.	.	H	α-helix	trans	-49.1	-44.3	172.8	175.5	-90.6	-176.5	-176.9	3.7	111.4	L308 S309 F310 M522 M533 R541	L308-R537 HydrophobicContact CB-CG 4.12Å; S309-R537 PolarHBondContact O-NE 3.5Å; S309-R537 VanDerWaalsContact O-NE 3.12Å; S309-R537 PolarHBondContact O-NH2 3.29Å; F310-R537 HydrophobicContact CD1-CG 3.99Å; F310-R537 HydrophobicContact CE1-CG 4.35Å; M522-R537 HydrophobicContact SD-CB 3.56Å; M522-R537 VanDerWaalsContact SD-CB 3.56Å; M522-R537 HydrophobicContact SD-CG 4.16Å; M533-R537 WeakPolarHBondContact O-CB 3.44Å; M533-R537 PolarHBondContact O-N 2.94Å; R537-R541 WeakPolarHBondContact O-CB 3.35Å; R537-R541 PolarHBondContact O-N 2.95Å
538	T	90.2	Very high	84.7	Confident	50 Å²	50	55.2 Å²	55.2	31%	0.307	27%	0.273	S	S	.	.	H	α-helix	trans	-75.3	-30.2	-178.4	-60.4	0	0	0	0	112.2	N534 Q535 L536 N542	N534-T538 VanDerWaalsContact O-CB 3.22Å; N534-T538 WeakPolarHBondContact O-CB 3.41Å; N534-T538 PolarHBondContact O-N 2.85Å; N534-T538 PolarHBondContact O-OG1 2.87Å; Q535-T538 PolarHBondContact O-N 3.21Å; L536-T538 PolarHBondContact O-N 2.81Å; T538-N542 WeakPolarHBondContact O-CB 3.26Å; T538-N542 PolarHBondContact O-N 3.34Å; T538-N542 VanDerWaalsContact O-N 3.14Å; T538-N542 PolarHBondContact O-ND2 2.88Å
539	Y	91.4	Very high	83.3	Confident	52 Å²	52	52.2 Å²	52.2	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-65.9	-51	168.2	-174.5	-81.5	0	0	0	111	T347 L351 W376 R383 Q535 L536 R541 N542 T543	T347-Y539 HydrophobicContact CG2-CE1 4.1Å; L351-Y539 HydrophobicContact CD1-CD1 3.74Å; L351-Y539 HydrophobicContact CD1-CE1 3.78Å; L351-Y539 HydrophobicContact CD2-CD1 4.46Å; L351-Y539 HydrophobicContact CD2-CE1 3.95Å; L351-Y539 HydrophobicContact CG-CE1 4.17Å; W376-Y539 HydrophobicContact CB-CD1 4.41Å; W376-Y539 HydrophobicContact CB-CD2 3.75Å; W376-Y539 HydrophobicContact CB-CE2 4.35Å; W376-Y539 HydrophobicContact CB-CG 3.79Å; W376-Y539 WeakPolarHBondContact O-CD2 3.07Å; R383-Y539 PolarHBondContact NH2-OH 3.3Å; Q535-Y539 PolarHBondContact O-N 2.89Å; L536-Y539 WeakPolarHBondContact O-CA 3.48Å; L536-Y539 WeakPolarHBondContact O-CB 3.3Å; L536-Y539 PolarHBondContact O-N 3.49Å; Y539-R541 PolarHBondContact O-N 2.85Å; Y539-N542 PolarHBondContact O-N 3.16Å; Y539-N542 VanDerWaalsContact O-N 3.16Å; Y539-T543 WeakPolarHBondContact CD1-OG1 3.4Å; Y539-T543 WeakPolarHBondContact CE1-OG1 3.39Å; Y539-T543 WeakPolarHBondContact O-CB 3.35Å; Y539-T543 PolarHBondContact O-N 3.37Å; Y539-T543 PolarHBondContact O-OG1 3.1Å; Y539-T543 VanDerWaalsContact O-OG1 3.06Å
540	L	91.9	Very high	81.6	Confident	1 Å²	1	57 Å²	57	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-57.9	-51.2	-179.5	-64.8	173.2	0	0	0	111.2	F310 L344 T347 L348 L351 L509 M522 L536 N542 T543 L544	F310-L540 HydrophobicContact CE1-CB 4.49Å; F310-L540 HydrophobicContact CZ-CB 4.38Å; L344-L540 HydrophobicContact CD2-CB 4.08Å; L344-L540 HydrophobicContact CD2-CD1 4.22Å; L344-L540 HydrophobicContact CD2-CD2 3.94Å; L344-L540 HydrophobicContact CD2-CG 4.29Å; T347-L540 HydrophobicContact CG2-CD2 3.67Å; L348-L540 HydrophobicContact CD2-CD1 4.41Å; L348-L540 HydrophobicContact CD2-CD2 4.42Å; L351-L540 HydrophobicContact CD1-CD2 4.47Å; L509-L540 HydrophobicContact CD1-CD1 3.97Å; M522-L540 HydrophobicContact SD-CD1 4.17Å; L536-L540 HydrophobicContact CD1-CD1 4.25Å; L536-L540 HydrophobicContact CD1-CD2 4.38Å; L536-L540 HydrophobicContact CD1-CG 4.07Å; L536-L540 HydrophobicContact CG-CD1 4.04Å; L536-L540 HydrophobicContact CG-CG 4.31Å; L536-L540 WeakPolarHBondContact O-CG 3.4Å; L536-L540 PolarHBondContact O-N 3.35Å; L540-N542 VanDerWaalsContact C-N 3.32Å; L540-N542 PolarHBondContact O-N 3.27Å; L540-T543 PolarHBondContact O-N 2.86Å; L540-L544 PolarHBondContact O-N 2.95Å
541	R	91.6	Very high	79.3	Confident	100 Å²	100	63.9 Å²	63.9	38%	0.377	34%	0.34	S	S	.	.	H	α-helix	trans	-53.7	-47.4	174	-174.4	-176.9	-169.6	-145.2	2.8	112	F310 R537 Y539 L545	F310-R541 HydrophobicContact CB-CB 4.44Å; F310-R541 HydrophobicContact CB-CG 4.02Å; F310-R541 HydrophobicContact CD1-CB 3.88Å; F310-R541 HydrophobicContact CD1-CG 4.35Å; F310-R541 HydrophobicContact CD2-CB 3.85Å; F310-R541 HydrophobicContact CD2-CG 3.65Å; F310-R541 HydrophobicContact CE1-CB 3.99Å; F310-R541 HydrophobicContact CE2-CB 3.98Å; F310-R541 HydrophobicContact CE2-CG 4.17Å; F310-R541 HydrophobicContact CG-CB 3.79Å; F310-R541 HydrophobicContact CG-CG 3.75Å; F310-R541 HydrophobicContact CZ-CB 4.04Å; R537-R541 WeakPolarHBondContact O-CB 3.35Å; R537-R541 PolarHBondContact O-N 2.95Å; Y539-R541 PolarHBondContact O-N 2.85Å; R541-L545 HydrophobicContact CG-CD1 3.79Å; R541-L545 HydrophobicContact CG-CG 4.4Å; R541-L545 WeakPolarHBondContact O-CB 3.43Å; R541-L545 WeakPolarHBondContact O-CG 3.4Å; R541-L545 PolarHBondContact O-N 2.87Å
542	N	88.4	Confident	78.9	Confident	65 Å²	65	62.4 Å²	62.4	35%	0.348	33%	0.331	S	S	.	.	H	α-helix	trans	-70.1	-31.1	-178.5	-80.7	-43	0	0	0	113.1	T538 Y539 L540 K546	T538-N542 WeakPolarHBondContact O-CB 3.26Å; T538-N542 PolarHBondContact O-N 3.34Å; T538-N542 VanDerWaalsContact O-N 3.14Å; T538-N542 PolarHBondContact O-ND2 2.88Å; Y539-N542 PolarHBondContact O-N 3.16Å; Y539-N542 VanDerWaalsContact O-N 3.16Å; L540-N542 VanDerWaalsContact C-N 3.32Å; L540-N542 PolarHBondContact O-N 3.27Å; N542-K546 WeakPolarHBondContact O-CB 3.44Å; N542-K546 VanDerWaalsContact O-CD 3.28Å; N542-K546 WeakPolarHBondContact O-CD 3.41Å; N542-K546 WeakPolarHBondContact O-CG 3.42Å; N542-K546 PolarHBondContact O-N 3.34Å
543	T	86.9	Confident	78.4	Confident	40 Å²	40	64.4 Å²	64.4	25%	0.245	34%	0.342	C	S	.	.	H	α-helix	trans	-72.8	-43.8	178.2	-66.7	0	0	0	0	110.8	T347 Y539 L540 S547	T347-T543 HydrophobicContact CG2-CG2 4.12Å; Y539-T543 WeakPolarHBondContact CD1-OG1 3.4Å; Y539-T543 WeakPolarHBondContact CE1-OG1 3.39Å; Y539-T543 WeakPolarHBondContact O-CB 3.35Å; Y539-T543 PolarHBondContact O-N 3.37Å; Y539-T543 PolarHBondContact O-OG1 3.1Å; Y539-T543 VanDerWaalsContact O-OG1 3.06Å; L540-T543 PolarHBondContact O-N 2.86Å; T543-S547 WeakPolarHBondContact O-CB 3.38Å; T543-S547 PolarHBondContact O-N 2.96Å; T543-S547 PolarHBondContact O-OG 2.74Å
544	L	86.3	Confident	77.7	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-64.5	-52	172.8	-63.6	178.4	0	0	0	111.6	F310 L312 L320 I340 L343 L344 L540 K546 S547	F310-L544 HydrophobicContact CE2-CD1 4.27Å; F310-L544 HydrophobicContact CZ-CD1 4.37Å; L312-L544 HydrophobicContact CD1-CD1 3.82Å; L312-L544 HydrophobicContact CD2-CB 4.1Å; L312-L544 HydrophobicContact CD2-CD1 4.43Å; L320-L544 HydrophobicContact CD1-CB 4.13Å; L320-L544 HydrophobicContact CD1-CD2 4.42Å; L320-L544 HydrophobicContact CD2-CB 4.47Å; L320-L544 HydrophobicContact CD2-CD2 4.05Å; I340-L544 HydrophobicContact CG2-CD1 4.41Å; L343-L544 HydrophobicContact CB-CD2 4.19Å; L343-L544 HydrophobicContact CD1-CD2 4.49Å; L344-L544 HydrophobicContact CD2-CD1 3.89Å; L344-L544 HydrophobicContact CG-CD1 4.21Å; L540-L544 PolarHBondContact O-N 2.95Å; L544-K546 PolarHBondContact O-N 3.38Å; L544-S547 WeakPolarHBondContact O-CA 3.31Å; L544-S547 VanDerWaalsContact O-CB 3.31Å; L544-S547 WeakPolarHBondContact O-CB 3.33Å; L544-S547 PolarHBondContact O-N 3.18Å
545	L	81.2	Confident	76.9	Confident	59 Å²	59	68.2 Å²	68.2	31%	0.309	36%	0.363	S	S	.	.	H	α-helix	trans	-68	-32.3	-177.7	-67.3	178.7	0	0	0	114.1	L312 R541 S547 V548	L312-L545 HydrophobicContact CD2-CD2 3.78Å; L312-L545 HydrophobicContact CD2-CG 4.19Å; R541-L545 HydrophobicContact CG-CD1 3.79Å; R541-L545 HydrophobicContact CG-CG 4.4Å; R541-L545 WeakPolarHBondContact O-CB 3.43Å; R541-L545 WeakPolarHBondContact O-CG 3.4Å; R541-L545 PolarHBondContact O-N 2.87Å; L545-S547 PolarHBondContact O-N 3.2Å; L545-V548 PolarHBondContact O-N 3.37Å
546	K	73.4	Confident	76.1	Confident	138 Å²	138	67.5 Å²	67.5	60%	0.6	36%	0.362	S	S	*	.	H	α-helix	trans	-70.4	-18.5	172	-72.9	168	-170	165.2	0	112.9	N542 L544 V548 G549	N542-K546 WeakPolarHBondContact O-CB 3.44Å; N542-K546 VanDerWaalsContact O-CD 3.28Å; N542-K546 WeakPolarHBondContact O-CD 3.41Å; N542-K546 WeakPolarHBondContact O-CG 3.42Å; N542-K546 PolarHBondContact O-N 3.34Å; L544-K546 PolarHBondContact O-N 3.38Å; K546-V548 PolarHBondContact O-N 3.5Å; K546-G549 PolarHBondContact O-N 3.47Å
547	S	59.8	Low	75	Confident	46 Å²	46	72 Å²	72	32%	0.322	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-1.7	174.5	-56.8	0	0	0	0	112.9	E319 K323 T543 L544 L545	E319-S547 VanDerWaalsContact OE1-O 3.12Å; K323-S547 PolarHBondContact NZ-O 2.9Å; T543-S547 WeakPolarHBondContact O-CB 3.38Å; T543-S547 PolarHBondContact O-N 2.96Å; T543-S547 PolarHBondContact O-OG 2.74Å; L544-S547 WeakPolarHBondContact O-CA 3.31Å; L544-S547 VanDerWaalsContact O-CB 3.31Å; L544-S547 WeakPolarHBondContact O-CB 3.33Å; L544-S547 PolarHBondContact O-N 3.18Å; L545-S547 PolarHBondContact O-N 3.2Å
548	V	59.8	Low	73.7	Confident	46 Å²	46	73.7 Å²	73.7	28%	0.279	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-5.1	173	-176.5	0	0	0	0	111.9	E319 L320 L545 K546	E319-V548 WeakPolarHBondContact OE2-CA 3.36Å; E319-V548 WeakPolarHBondContact OE2-CG1 3.43Å; L320-V548 HydrophobicContact CG-CG2 4.26Å; L545-V548 PolarHBondContact O-N 3.37Å; K546-V548 PolarHBondContact O-N 3.5Å
549	G	50	Low	72.4	Confident	64 Å²	64	75.5 Å²	75.5	66%	0.66	41%	0.408	S	S	*	.	S	Bend	trans	-107.5	26.7	-178.1	0	0	0	0	0	113.9	K546	K546-G549 PolarHBondContact O-N 3.47Å
550	K	44.6	Very low	70.8	Confident	170 Å²	170	77.5 Å²	77.5	74%	0.739	43%	0.425	S	S	*	.			trans	-147.1	88.9	-179.3	-79.8	-162.2	169.7	-159.2	0	111.1	K323	K323-K550 PolarHBondContact NZ-O 2.8Å
551	V	35.5	Very low	68.9	Low	196 Å²	196	84.5 Å²	84.5	100%	1.188	46%	0.463	S	S	*	.			trans	-126.5	0	157.9	-179.8	0	0	0	0	105.5

Retrieved 551 of 551 residues in 114.3 ms (Link to these results)

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