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N-alpha-acetyltransferase 60

N-alpha-acetyltransferase that specifically mediates the acetylation of N-terminal residues of the transmembrane proteins, with a strong preference for N-termini facing the cytosol. Displays N-terminal acetyltransferase activity towards a range of N-terminal sequences including those starting with Met-Lys, Met-Val, Met-Ala and Met-Met. Required for normal chromosomal segregation during anaphase. May also show histone acetyltransferase activity; such results are however unclear in vivo and would require additional experimental evidences.

AlphaFold DB , UniProt , Accession A0A2K5ZY65, Species MANLE (Mandrillus leucophaeus, Drill), Gene NAA60, Length 242 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	68.1	Low	242 Å²	242	97.1 Å²	97.1	100%	1.192	56%	0.564	S	S	*	*				0	96.3	0	-168.6	166.7	168.8	0	0	105.9	E3	M1-E3 PolarHBondContact O-N 3.27Å
2	T	47.2	Very low	70.1	Confident	126 Å²	126	95.8 Å²	95.8	77%	0.773	55%	0.549	S	S	*	.			trans	-71.6	110.9	179.2	41.3	0	0	0	0	107.7	V4	T2-V4 PolarHBondContact O-N 3.2Å
3	E	58.3	Low	72	Confident	152 Å²	152	89.9 Å²	89.9	71%	0.71	52%	0.516	S	S	*	.			trans	-55.8	123	169.4	-78.8	-163.8	147.3	0	0	108.3	M1 V5 R60	M1-E3 PolarHBondContact O-N 3.27Å; E3-V5 PolarHBondContact O-N 3.42Å; E3-R60 IonicContact OE2-NH1 3.16Å
4	V	69.4	Low	73.8	Confident	131 Å²	131	88.6 Å²	88.6	79%	0.794	52%	0.515	S	S	*	.			trans	-68	116	173.7	177.4	0	0	0	0	106.6	T2 P6	T2-V4 PolarHBondContact O-N 3.2Å; V4-P6 WeakPolarHBondContact O-CD 3.49Å
5	V	72.1	Confident	75.5	Confident	25 Å²	25	87.4 Å²	87.4	15%	0.152	51%	0.505	C	S	.	.			trans	-59.7	119.5	176.6	177.6	0	0	0	0	108	E3 A9 E106 F107	E3-V5 PolarHBondContact O-N 3.42Å; V5-A9 HydrophobicContact CG1-CB 3.44Å; V5-A9 VanDerWaalsContact CG1-CB 3.44Å; V5-E106 HydrophobicContact CG2-CB 3.93Å; V5-F107 HydrophobicContact CG1-CD1 3.79Å; V5-F107 HydrophobicContact CG1-CE1 3.73Å; V5-F107 HydrophobicContact CG1-CG 4.44Å; V5-F107 HydrophobicContact CG1-CZ 4.34Å; V5-F107 HydrophobicContact CG2-CD1 4.33Å; V5-F107 HydrophobicContact CG2-CD2 4.17Å; V5-F107 HydrophobicContact CG2-CE1 4.1Å; V5-F107 HydrophobicContact CG2-CE2 3.93Å; V5-F107 HydrophobicContact CG2-CG 4.37Å; V5-F107 HydrophobicContact CG2-CZ 3.88Å
6	P	77	Confident	76.9	Confident	48 Å²	48	87.3 Å²	87.3	31%	0.312	49%	0.494	S	S	.	.			trans	-69	152.4	-177	24.2	-29.1	0	0	0	110.7	V4 S8 A9	V4-P6 WeakPolarHBondContact O-CD 3.49Å; P6-S8 PolarHBondContact O-N 2.94Å; P6-A9 WeakPolarHBondContact O-CB 3.45Å; P6-A9 PolarHBondContact O-N 3.23Å
7	S	70.1	Confident	78.2	Confident	118 Å²	118	88.4 Å²	88.4	83%	0.825	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.6	176.5	56.4	0	0	0	0	113.2	A9	S7-A9 VanDerWaalsContact C-N 3.29Å
8	S	76.4	Confident	79.3	Confident	51 Å²	51	84.3 Å²	84.3	36%	0.357	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	3.6	172.9	60.6	0	0	0	0	114.2	P6 L10 S11	P6-S8 PolarHBondContact O-N 2.94Å; S8-L10 PolarHBondContact O-N 2.78Å; S8-L10 VanDerWaalsContact O-N 3.09Å; S8-S11 PolarHBondContact O-N 3.21Å; S8-S11 PolarHBondContact O-OG 2.9Å
9	A	75.9	Confident	80.3	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-54.6	-36.4	-175.5	0	0	0	0	0	112.8	V5 P6 S7 S11 E12 V13 Y59 F107	V5-A9 HydrophobicContact CG1-CB 3.44Å; V5-A9 VanDerWaalsContact CG1-CB 3.44Å; P6-A9 WeakPolarHBondContact O-CB 3.45Å; P6-A9 PolarHBondContact O-N 3.23Å; S7-A9 VanDerWaalsContact C-N 3.29Å; A9-S11 VanDerWaalsContact C-N 3.33Å; A9-S11 PolarHBondContact O-N 2.87Å; A9-E12 PolarHBondContact O-N 2.96Å; A9-V13 WeakPolarHBondContact O-CG2 3.01Å; A9-V13 PolarHBondContact O-N 3.45Å; A9-Y59 HydrophobicContact CB-CD2 4.48Å; A9-Y59 HydrophobicContact CB-CE2 4.18Å; A9-F107 HydrophobicContact CB-CD1 4.47Å; A9-F107 HydrophobicContact CB-CE1 4.37Å
10	L	81.9	Confident	81.2	Confident	74 Å²	74	83.9 Å²	83.9	39%	0.387	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-63.2	-34.3	179	-170.8	65	0	0	0	113.2	S8 E12 V13 I112 L115	S8-L10 PolarHBondContact O-N 2.78Å; S8-L10 VanDerWaalsContact O-N 3.09Å; L10-E12 VanDerWaalsContact C-N 3.25Å; L10-E12 PolarHBondContact O-N 3.06Å; L10-V13 PolarHBondContact O-N 3.16Å; L10-I112 HydrophobicContact CD1-CG1 4.02Å; L10-L115 HydrophobicContact CD1-CD2 4.07Å
11	S	85.3	Confident	82	Confident	101 Å²	101	86.4 Å²	86.4	71%	0.706	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-72.4	-19.1	179.2	49.9	0	0	0	0	113.7	S8 A9	S8-S11 PolarHBondContact O-N 3.21Å; S8-S11 PolarHBondContact O-OG 2.9Å; A9-S11 VanDerWaalsContact C-N 3.33Å; A9-S11 PolarHBondContact O-N 2.87Å
12	E	91.7	Very high	85	Confident	82 Å²	82	75.5 Å²	75.5	38%	0.383	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-97	-4	176.1	-71.1	172.4	-139.5	0	0	112.2	A9 L10 Y59 R60	A9-E12 PolarHBondContact O-N 2.96Å; L10-E12 VanDerWaalsContact C-N 3.25Å; L10-E12 PolarHBondContact O-N 3.06Å; E12-Y59 HydrophobicContact CB-CD2 3.86Å; E12-Y59 HydrophobicContact CB-CE2 3.56Å; E12-Y59 HydrophobicContact CG-CE2 4.3Å; E12-Y59 WeakPolarHBondContact OE2-CE2 3.26Å; E12-Y59 VanDerWaalsContact OE2-CZ 3.28Å; E12-Y59 PolarHBondContact OE2-OH 2.92Å; E12-R60 IonicContact OE2-NE 3.97Å
13	V	95.9	Very high	87.4	Confident	19 Å²	19	70.3 Å²	70.3	12%	0.115	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.3	176.9	166.8	0	0	0	0	109.7	A9 L10 A57 T58 Y59 I112 L115	A9-V13 WeakPolarHBondContact O-CG2 3.01Å; A9-V13 PolarHBondContact O-N 3.45Å; L10-V13 PolarHBondContact O-N 3.16Å; V13-A57 HydrophobicContact CG1-CB 3.86Å; V13-T58 WeakPolarHBondContact CA-O 3.14Å; V13-Y59 HydrophobicContact CG2-CD2 4.47Å; V13-I112 HydrophobicContact CG2-CD1 4.02Å; V13-I112 HydrophobicContact CG2-CG1 4.15Å; V13-L115 HydrophobicContact CG1-CD2 4.07Å
14	S	97.3	Very high	89.3	Confident	72 Å²	72	68.9 Å²	68.9	50%	0.503	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	154.4	170	-59.8	0	0	0	0	110.3	A57 T58	S14-A57 WeakPolarHBondContact O-CA 3.36Å; S14-T58 PolarHBondContact N-O 3.17Å; S14-T58 PolarHBondContact O-N 3.34Å; S14-T58 PolarHBondContact O-OG1 2.66Å
15	L	98.4	Very high	90.7	Very high	70 Å²	70	65.8 Å²	65.8	37%	0.366	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.9	177.8	-61	175.2	0	0	0	110	L55 A56 A57 L115 L116 S119	L15-L55 HydrophobicContact CB-CD1 4.27Å; L15-L55 HydrophobicContact CB-CD2 4.49Å; L15-L55 HydrophobicContact CD1-CD2 4.29Å; L15-L55 HydrophobicContact CD2-CD2 4.28Å; L15-A56 WeakPolarHBondContact CA-O 3.04Å; L15-A57 HydrophobicContact CD2-CB 3.99Å; L15-L115 HydrophobicContact CD1-CD1 4.21Å; L15-L115 HydrophobicContact CD1-CD2 4.27Å; L15-L115 HydrophobicContact CD1-CG 4.11Å; L15-L115 HydrophobicContact CD2-CD2 4.05Å; L15-L115 HydrophobicContact CD2-CG 4.33Å; L15-L115 HydrophobicContact CG-CD2 4.33Å; L15-L116 HydrophobicContact CD2-CD2 4.19Å; L15-S119 WeakPolarHBondContact CD1-OG 3.44Å
16	R	98.5	Very high	91.9	Very high	86 Å²	86	64.6 Å²	64.6	33%	0.325	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.4	171.9	65.5	170.7	-176.7	80.6	-6	111.2	D22 A56 T58	R16-D22 IonicContact CZ-OD1 2.9Å; R16-D22 IonicContact CZ-OD2 3.95Å; R16-D22 IonicContact NH1-OD1 3.17Å; R16-D22 IonicContact NH1-OD2 3.45Å; R16-D22 PolarHBondContact NH1-OD2 3.46Å; R16-D22 IonicContact NH2-OD1 3.8Å; R16-D22 PolarHBondContact NH2-OD1 3.21Å; R16-D22 IonicContact NH2-OD2 3.96Å; R16-D22 PolarHBondContact NH2-OD2 2.98Å; R16-A56 PolarHBondContact N-O 3.04Å; R16-A56 PolarHBondContact O-N 2.87Å; R16-T58 HydrophobicContact CG-CG2 4.2Å
17	L	98.6	Very high	92.9	Very high	105 Å²	105	64.9 Å²	64.9	55%	0.55	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	149.5	170.9	-63.7	176.8	0	0	0	110.6	F53 S54 L55	L17-F53 HydrophobicContact CD2-CD2 4.49Å; L17-F53 HydrophobicContact CD2-CE2 4.45Å; L17-S54 CarbonylContact C-O 3.59Å; L17-S54 VanDerWaalsContact CA-O 3.27Å; L17-S54 WeakPolarHBondContact CA-O 3.37Å; L17-S54 WeakPolarHBondContact CD2-O 3.36Å; L17-L55 HydrophobicContact CD2-CD1 4.15Å
18	L	98.6	Very high	94.2	Very high	15 Å²	15	65.3 Å²	65.3	8%	0.079	35%	0.352	C	S	.	.			trans	-65.2	146.7	167.5	-67.5	-177.2	0	0	0	110.1	D22 V26 T47 S54 A56 I63 M66 V68	L18-D22 WeakPolarHBondContact CA-OD2 3.3Å; L18-D22 HydrophobicContact CD2-CB 4.05Å; L18-V26 HydrophobicContact CD1-CG2 4.01Å; L18-V26 HydrophobicContact CD2-CG2 3.91Å; L18-T47 HydrophobicContact CB-CG2 4.4Å; L18-T47 HydrophobicContact CD1-CG2 4.41Å; L18-S54 PolarHBondContact N-O 2.85Å; L18-A56 HydrophobicContact CD2-CB 3.74Å; L18-I63 HydrophobicContact CD2-CD1 3.92Å; L18-M66 HydrophobicContact CD1-SD 4.18Å; L18-V68 HydrophobicContact CD1-CG2 4.41Å
19	C	98.2	Very high	95.2	Very high	52 Å²	52	63.5 Å²	63.5	35%	0.351	34%	0.338	S	S	.	.			trans	-127.5	172.3	171	68.2	0	0	0	0	110.8	D21 D22 T47	C19-D21 PolarHBondContact O-N 3.36Å; C19-D22 PolarHBondContact N-OD2 3.41Å; C19-D22 WeakPolarHBondContact O-CB 3.37Å; C19-D22 PolarHBondContact O-N 3.28Å; C19-D22 PolarHBondContact SG-OD2 3.35Å; C19-T47 CarbonylContact C-O 3.59Å; C19-T47 VanDerWaalsContact C-O 3.29Å; C19-T47 WeakPolarHBondContact CA-O 3.41Å; C19-T47 WeakPolarHBondContact O-CB 3.07Å
20	H	97.6	Very high	96.2	Very high	108 Å²	108	63.5 Å²	63.5	50%	0.5	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-53.8	-36.6	-178.7	-172.9	76	0	0	0	113.3	D22 I23 T47 S48	H20-D22 PolarHBondContact O-N 2.88Å; H20-I23 WeakPolarHBondContact O-CD1 3.49Å; H20-I23 WeakPolarHBondContact O-CG1 3.43Å; H20-I23 PolarHBondContact O-N 3.48Å; H20-T47 PolarHBondContact N-O 3.07Å; H20-S48 PolarHBondContact ND1-OG 3.25Å
21	D	98.1	Very high	96.8	Very high	138 Å²	138	62.5 Å²	62.5	74%	0.738	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-69	-13.7	-178.4	-57.8	-23.5	0	0	0	112.9	C19 I23	C19-D21 PolarHBondContact O-N 3.36Å; D21-I23 VanDerWaalsContact C-N 3.33Å
22	D	98.4	Very high	97.3	Very high	12 Å²	12	63 Å²	63	6%	0.064	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-82.1	-7.9	179.1	-63.5	-46.3	0	0	0	113.5	R16 L18 C19 H20 D24 T25 V26 I63	R16-D22 IonicContact CZ-OD1 2.9Å; R16-D22 IonicContact CZ-OD2 3.95Å; R16-D22 IonicContact NH1-OD1 3.17Å; R16-D22 IonicContact NH1-OD2 3.45Å; R16-D22 PolarHBondContact NH1-OD2 3.46Å; R16-D22 IonicContact NH2-OD1 3.8Å; R16-D22 PolarHBondContact NH2-OD1 3.21Å; R16-D22 IonicContact NH2-OD2 3.96Å; R16-D22 PolarHBondContact NH2-OD2 2.98Å; L18-D22 WeakPolarHBondContact CA-OD2 3.3Å; L18-D22 HydrophobicContact CD2-CB 4.05Å; C19-D22 PolarHBondContact N-OD2 3.41Å; C19-D22 WeakPolarHBondContact O-CB 3.37Å; C19-D22 PolarHBondContact O-N 3.28Å; C19-D22 PolarHBondContact SG-OD2 3.35Å; H20-D22 PolarHBondContact O-N 2.88Å; D22-D24 VanDerWaalsContact C-N 3.34Å; D22-D24 PolarHBondContact O-N 3Å; D22-T25 PolarHBondContact O-N 3.08Å; D22-T25 VanDerWaalsContact O-N 3.12Å; D22-V26 HydrophobicContact CB-CG2 4.03Å; D22-V26 WeakPolarHBondContact O-CB 3.48Å; D22-V26 VanDerWaalsContact O-CG2 3.28Å; D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.11Å; D22-I63 HydrophobicContact CB-CD1 4.09Å
23	I	98.3	Very high	97.4	Very high	18 Å²	18	60.4 Å²	60.4	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-50.7	-50.5	-171.4	-75.2	167.3	0	0	0	112.2	H20 D21 V26 K27 R44 T47	H20-I23 WeakPolarHBondContact O-CD1 3.49Å; H20-I23 WeakPolarHBondContact O-CG1 3.43Å; H20-I23 PolarHBondContact O-N 3.48Å; D21-I23 VanDerWaalsContact C-N 3.33Å; I23-V26 PolarHBondContact O-N 2.6Å; I23-K27 HydrophobicContact CG2-CD 3.99Å; I23-K27 HydrophobicContact CG2-CG 4.42Å; I23-K27 WeakPolarHBondContact O-CB 3.49Å; I23-K27 VanDerWaalsContact O-CG 3.31Å; I23-K27 WeakPolarHBondContact O-CG 3.39Å; I23-K27 PolarHBondContact O-N 3.24Å; I23-R44 HydrophobicContact CD1-CG 3.91Å; I23-T47 HydrophobicContact CG1-CG2 3.82Å; I23-T47 VanDerWaalsContact CG1-OG1 3.26Å; I23-T47 WeakPolarHBondContact CG1-OG1 3.36Å
24	D	98.1	Very high	97.2	Very high	122 Å²	122	61.3 Å²	61.3	65%	0.652	33%	0.33	S	S	*	.	H	α-helix	trans	-69.8	-37.3	-175.2	-68.1	-26.4	0	0	0	111.9	D22 K27 H28	D22-D24 VanDerWaalsContact C-N 3.34Å; D22-D24 PolarHBondContact O-N 3Å; D24-K27 PolarHBondContact O-N 3.07Å; D24-H28 WeakPolarHBondContact O-CB 3.43Å; D24-H28 PolarHBondContact O-N 2.97Å
25	T	98.2	Very high	96.8	Very high	65 Å²	65	61.1 Å²	61.1	40%	0.399	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-45.4	174.6	-60.3	0	0	0	0	110.6	D22 H28 L29 I63	D22-T25 PolarHBondContact O-N 3.08Å; D22-T25 VanDerWaalsContact O-N 3.12Å; T25-H28 PolarHBondContact O-N 3.07Å; T25-L29 HydrophobicContact CG2-CD1 3.97Å; T25-L29 HydrophobicContact CG2-CG 4.47Å; T25-L29 WeakPolarHBondContact O-CB 3.49Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.45Å; T25-L29 PolarHBondContact O-N 3.3Å; T25-I63 HydrophobicContact CG2-CB 4.2Å; T25-I63 HydrophobicContact CG2-CD1 4.13Å; T25-I63 HydrophobicContact CG2-CG1 4.47Å
26	V	98.1	Very high	96.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.6	-40.6	179.9	173.5	0	0	0	0	111.1	L18 D22 I23 L29 C30 Y43 I46 M66	L18-V26 HydrophobicContact CD1-CG2 4.01Å; L18-V26 HydrophobicContact CD2-CG2 3.91Å; D22-V26 HydrophobicContact CB-CG2 4.03Å; D22-V26 WeakPolarHBondContact O-CB 3.48Å; D22-V26 VanDerWaalsContact O-CG2 3.28Å; D22-V26 WeakPolarHBondContact O-CG2 3.45Å; D22-V26 PolarHBondContact O-N 3.11Å; I23-V26 PolarHBondContact O-N 2.6Å; V26-L29 PolarHBondContact O-N 2.88Å; V26-C30 VanDerWaalsContact O-CB 3.28Å; V26-C30 WeakPolarHBondContact O-CB 3.4Å; V26-C30 PolarHBondContact O-N 3.49Å; V26-C30 PolarHBondContact O-SG 2.82Å; V26-Y43 HydrophobicContact CG1-CD1 3.9Å; V26-Y43 HydrophobicContact CG1-CE1 4.09Å; V26-I46 HydrophobicContact CG1-CD1 3.99Å; V26-M66 HydrophobicContact CG1-CE 3.79Å; V26-M66 HydrophobicContact CG1-SD 3.73Å; V26-M66 HydrophobicContact CG2-SD 4.2Å
27	K	97.7	Very high	95.7	Very high	54 Å²	54	63.5 Å²	63.5	24%	0.235	34%	0.341	C	S	.	.	H	α-helix	trans	-57.2	-48.8	173.3	-82.2	177.7	170.7	-171.9	0	111.6	I23 D24 C30 G31 D40 Y43	I23-K27 HydrophobicContact CG2-CD 3.99Å; I23-K27 HydrophobicContact CG2-CG 4.42Å; I23-K27 WeakPolarHBondContact O-CB 3.49Å; I23-K27 VanDerWaalsContact O-CG 3.31Å; I23-K27 WeakPolarHBondContact O-CG 3.39Å; I23-K27 PolarHBondContact O-N 3.24Å; D24-K27 PolarHBondContact O-N 3.07Å; K27-C30 PolarHBondContact O-N 2.94Å; K27-G31 PolarHBondContact O-N 2.94Å; K27-G31 VanDerWaalsContact O-N 3.07Å; K27-D40 WeakPolarHBondContact CE-OD1 3.38Å; K27-D40 IonicContact NZ-OD1 2.82Å; K27-D40 PolarHBondContact NZ-OD1 2.77Å; K27-D40 IonicContact NZ-OD2 3.6Å; K27-D40 PolarHBondContact NZ-OD2 3.49Å; K27-Y43 HydrophobicContact CB-CE1 4.27Å; K27-Y43 HydrophobicContact CD-CD2 4.21Å; K27-Y43 HydrophobicContact CD-CG 4.38Å; K27-Y43 HydrophobicContact CG-CD1 3.65Å; K27-Y43 HydrophobicContact CG-CD2 3.55Å; K27-Y43 HydrophobicContact CG-CE1 3.75Å; K27-Y43 HydrophobicContact CG-CE2 3.64Å; K27-Y43 HydrophobicContact CG-CG 3.54Å
28	H	97.4	Very high	95.5	Very high	127 Å²	127	61.1 Å²	61.1	59%	0.588	33%	0.325	S	S	*	.	H	α-helix	trans	-60.7	-51.7	179	-178.2	60.8	0	0	0	111.6	D24 T25 C30 G31 D32	D24-H28 WeakPolarHBondContact O-CB 3.43Å; D24-H28 PolarHBondContact O-N 2.97Å; T25-H28 PolarHBondContact O-N 3.07Å; H28-C30 PolarHBondContact O-N 3.19Å; H28-G31 PolarHBondContact O-N 3.07Å; H28-G31 VanDerWaalsContact O-N 3.16Å; H28-D32 IonicContact NE2-OD2 3.87Å; H28-D32 PolarHBondContact O-N 3.38Å
29	L	97.5	Very high	95.3	Very high	14 Å²	14	64.2 Å²	64.2	7%	0.073	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-41.4	179.8	-71	175.3	0	0	0	112.8	T25 V26 G31 D32 W33 I63 V104	T25-L29 HydrophobicContact CG2-CD1 3.97Å; T25-L29 HydrophobicContact CG2-CG 4.47Å; T25-L29 WeakPolarHBondContact O-CB 3.49Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.45Å; T25-L29 PolarHBondContact O-N 3.3Å; V26-L29 PolarHBondContact O-N 2.88Å; L29-G31 VanDerWaalsContact C-N 3.31Å; L29-G31 PolarHBondContact O-N 3.27Å; L29-D32 PolarHBondContact O-N 3.4Å; L29-W33 HydrophobicContact CB-CD2 4.31Å; L29-W33 HydrophobicContact CB-CE3 4.35Å; L29-W33 HydrophobicContact CB-CH2 3.79Å; L29-W33 HydrophobicContact CB-CZ2 3.71Å; L29-W33 HydrophobicContact CB-CZ3 4.09Å; L29-W33 HydrophobicContact CD1-CH2 3.92Å; L29-W33 HydrophobicContact CD1-CZ2 3.96Å; L29-W33 HydrophobicContact CD2-CZ2 3.93Å; L29-W33 HydrophobicContact CG-CH2 4.35Å; L29-W33 HydrophobicContact CG-CZ2 4.09Å; L29-W33 WeakPolarHBondContact O-CB 3.14Å; L29-W33 VanDerWaalsContact O-CD1 3.31Å; L29-W33 VanDerWaalsContact O-CD2 3.25Å; L29-W33 PolarHBondContact O-N 2.85Å; L29-I63 HydrophobicContact CD1-CB 3.98Å; L29-I63 HydrophobicContact CD1-CG2 3.64Å; L29-V104 HydrophobicContact CD2-CG2 3.54Å
30	C	96.8	Very high	95.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-37.7	176.7	-71.9	0	0	0	0	112.1	V26 K27 H28 D32 W33 F34 Y43 M66	V26-C30 VanDerWaalsContact O-CB 3.28Å; V26-C30 WeakPolarHBondContact O-CB 3.4Å; V26-C30 PolarHBondContact O-N 3.49Å; V26-C30 PolarHBondContact O-SG 2.82Å; K27-C30 PolarHBondContact O-N 2.94Å; H28-C30 PolarHBondContact O-N 3.19Å; C30-D32 PolarHBondContact O-N 3.19Å; C30-W33 PolarHBondContact O-N 3.18Å; C30-F34 HydrophobicContact CB-CD2 4.12Å; C30-F34 PolarHBondContact O-N 2.93Å; C30-Y43 HydrophobicContact CB-CE1 4.01Å; C30-Y43 WeakPolarHBondContact CB-OH 3.48Å; C30-M66 WeakPolarHBondContact SG-CE 3.2Å
31	G	94.5	Very high	95.2	Very high	53 Å²	53	63.4 Å²	63.4	55%	0.546	35%	0.346	S	S	.	.	H	α-helix	trans	-61.5	-31.4	175.5	0	0	0	0	0	113.4	K27 H28 L29	K27-G31 PolarHBondContact O-N 2.94Å; K27-G31 VanDerWaalsContact O-N 3.07Å; H28-G31 PolarHBondContact O-N 3.07Å; H28-G31 VanDerWaalsContact O-N 3.16Å; L29-G31 VanDerWaalsContact C-N 3.31Å; L29-G31 PolarHBondContact O-N 3.27Å
32	D	94.6	Very high	95.2	Very high	110 Å²	110	58.6 Å²	58.6	59%	0.588	32%	0.317	S	S	*	.	H	α-helix	trans	-81.5	-33.9	175.7	-70.9	-16.6	0	0	0	112.9	H28 L29 C30	H28-D32 IonicContact NE2-OD2 3.87Å; H28-D32 PolarHBondContact O-N 3.38Å; L29-D32 PolarHBondContact O-N 3.4Å; C30-D32 PolarHBondContact O-N 3.19Å
33	W	94.1	Very high	95.2	Very high	28 Å²	28	58.7 Å²	58.7	11%	0.106	32%	0.317	C	S	.	.	H	α-helix	trans	-83.9	-36.8	-174.4	-61.8	-12.3	0	0	0	113.3	L29 C30 M66 V104	L29-W33 HydrophobicContact CB-CD2 4.31Å; L29-W33 HydrophobicContact CB-CE3 4.35Å; L29-W33 HydrophobicContact CB-CH2 3.79Å; L29-W33 HydrophobicContact CB-CZ2 3.71Å; L29-W33 HydrophobicContact CB-CZ3 4.09Å; L29-W33 HydrophobicContact CD1-CH2 3.92Å; L29-W33 HydrophobicContact CD1-CZ2 3.96Å; L29-W33 HydrophobicContact CD2-CZ2 3.93Å; L29-W33 HydrophobicContact CG-CH2 4.35Å; L29-W33 HydrophobicContact CG-CZ2 4.09Å; L29-W33 WeakPolarHBondContact O-CB 3.14Å; L29-W33 VanDerWaalsContact O-CD1 3.31Å; L29-W33 VanDerWaalsContact O-CD2 3.25Å; L29-W33 PolarHBondContact O-N 2.85Å; C30-W33 PolarHBondContact O-N 3.18Å; W33-M66 HydrophobicContact CH2-CG 4.18Å; W33-M66 HydrophobicContact CZ3-CE 4Å; W33-M66 HydrophobicContact CZ3-CG 3.74Å; W33-M66 HydrophobicContact CZ3-SD 3.97Å; W33-V104 HydrophobicContact CZ2-CG2 4.05Å
34	F	92	Very high	95.2	Very high	39 Å²	39	63.6 Å²	63.6	17%	0.171	34%	0.335	C	S	.	.			trans	-124.2	132.7	-170.3	-49.3	-63.4	0	0	0	110.3	C30 I36 Y38 S100	C30-F34 HydrophobicContact CB-CD2 4.12Å; C30-F34 PolarHBondContact O-N 2.93Å; F34-I36 PolarHBondContact O-N 3.19Å; F34-Y38 HydrophobicContact CD2-CE2 4.12Å; F34-S100 WeakPolarHBondContact CE2-OG 3.44Å; F34-S100 VanDerWaalsContact CZ-OG 3.31Å; F34-S100 WeakPolarHBondContact CZ-OG 3.4Å
35	P	88.8	Confident	95.1	Very high	68 Å²	68	61.3 Å²	61.3	44%	0.442	32%	0.322	S	S	.	.	S	Bend	trans	-76.8	14.6	175.7	34.4	-37.9	0	0	0	113.1	L140 I167	P35-L140 HydrophobicContact CG-CD1 3.8Å; P35-I167 HydrophobicContact CB-CD1 3.92Å; P35-I167 HydrophobicContact CB-CG1 4.25Å; P35-I167 HydrophobicContact CB-CG2 3.91Å; P35-I167 HydrophobicContact CG-CD1 3.45Å; P35-I167 VanDerWaalsContact CG-CD1 3.45Å; P35-I167 HydrophobicContact CG-CG1 4.13Å; P35-I167 WeakPolarHBondContact O-CG2 3.49Å
36	I	89.1	Confident	95.1	Very high	34 Å²	34	58.3 Å²	58.3	17%	0.174	30%	0.304	C	S	.	.	S	Bend	trans	-114.2	136.6	-173.6	-58.1	160.4	0	0	0	108.2	F34 Y165 I167	F34-I36 PolarHBondContact O-N 3.19Å; I36-Y165 HydrophobicContact CD1-CD1 3.27Å; I36-Y165 HydrophobicContact CD1-CE1 3.58Å; I36-Y165 HydrophobicContact CD1-CG 4.06Å; I36-Y165 HydrophobicContact CG1-CD1 4.33Å; I36-I167 HydrophobicContact CG1-CG1 4.09Å
37	E	85.1	Confident	95.1	Very high	172 Å²	172	58.6 Å²	58.6	80%	0.804	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-92.2	117.5	177	-69.8	173.6	-167.3	0	0	110.1
38	Y	93.6	Very high	95.1	Very high	55 Å²	55	59.3 Å²	59.3	22%	0.216	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-88.6	144	171.7	-61.1	-73.8	0	0	0	110.7	F34 W42 Y43	F34-Y38 HydrophobicContact CD2-CE2 4.12Å; Y38-W42 HydrophobicContact CD1-CD2 4.01Å; Y38-W42 HydrophobicContact CD1-CE3 4.27Å; Y38-W42 HydrophobicContact CD1-CG 4.36Å; Y38-W42 HydrophobicContact CD1-CZ2 4.43Å; Y38-W42 HydrophobicContact CD2-CE3 4.14Å; Y38-W42 HydrophobicContact CD2-CH2 4.22Å; Y38-W42 AromaticContact CD2-CZ3 3.9Å; Y38-W42 HydrophobicContact CD2-CZ3 3.9Å; Y38-W42 HydrophobicContact CE1-CZ2 4.41Å; Y38-W42 HydrophobicContact CE2-CH2 4.29Å; Y38-W42 HydrophobicContact CE2-CZ3 4.42Å; Y38-W42 AromaticContact CG-CD2 3.96Å; Y38-W42 HydrophobicContact CG-CD2 3.96Å; Y38-W42 AromaticContact CG-CE3 3.76Å; Y38-W42 HydrophobicContact CG-CE3 3.76Å; Y38-W42 HydrophobicContact CG-CH2 4.4Å; Y38-W42 AromaticContact CG-CZ3 3.99Å; Y38-W42 HydrophobicContact CG-CZ3 3.99Å; Y38-Y43 WeakPolarHBondContact O-CE2 3.31Å
39	P	95.5	Very high	95.1	Very high	80 Å²	80	56.4 Å²	56.4	52%	0.519	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-70.2	153.7	176.2	29.9	-34.7	0	0	0	111.3	S41 W42	P39-S41 PolarHBondContact O-N 3.05Å; P39-S41 VanDerWaalsContact O-N 3.11Å; P39-W42 HydrophobicContact CG-CB 4Å; P39-W42 VanDerWaalsContact O-CB 3.24Å; P39-W42 WeakPolarHBondContact O-CB 3.31Å; P39-W42 PolarHBondContact O-N 2.82Å
40	D	96.4	Very high	95	Very high	83 Å²	83	65.6 Å²	65.6	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-55	-31.8	178.2	-91.7	20	0	0	0	114.8	K27 W42 Y43 R44	K27-D40 WeakPolarHBondContact CE-OD1 3.38Å; K27-D40 IonicContact NZ-OD1 2.82Å; K27-D40 PolarHBondContact NZ-OD1 2.77Å; K27-D40 IonicContact NZ-OD2 3.6Å; K27-D40 PolarHBondContact NZ-OD2 3.49Å; D40-W42 VanDerWaalsContact C-N 3.29Å; D40-W42 PolarHBondContact O-N 2.89Å; D40-Y43 PolarHBondContact O-N 3.06Å; D40-R44 PolarHBondContact O-N 2.98Å
41	S	97.3	Very high	95	Very high	59 Å²	59	70.3 Å²	70.3	41%	0.413	37%	0.366	S	S	.	.	H	α-helix	trans	-63.3	-35.7	174.4	53.7	0	0	0	0	112.4	P39 R44 D45	P39-S41 PolarHBondContact O-N 3.05Å; P39-S41 VanDerWaalsContact O-N 3.11Å; S41-R44 PolarHBondContact O-N 3.23Å; S41-D45 WeakPolarHBondContact O-CB 3.49Å; S41-D45 PolarHBondContact O-N 3.35Å
42	W	97.7	Very high	95.2	Very high	37 Å²	37	68.7 Å²	68.7	14%	0.14	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-45.6	178.6	-178.1	87.6	0	0	0	111	Y38 P39 D40 R44 D45 I46 L99	Y38-W42 HydrophobicContact CD1-CD2 4.01Å; Y38-W42 HydrophobicContact CD1-CE3 4.27Å; Y38-W42 HydrophobicContact CD1-CG 4.36Å; Y38-W42 HydrophobicContact CD1-CZ2 4.43Å; Y38-W42 HydrophobicContact CD2-CE3 4.14Å; Y38-W42 HydrophobicContact CD2-CH2 4.22Å; Y38-W42 AromaticContact CD2-CZ3 3.9Å; Y38-W42 HydrophobicContact CD2-CZ3 3.9Å; Y38-W42 HydrophobicContact CE1-CZ2 4.41Å; Y38-W42 HydrophobicContact CE2-CH2 4.29Å; Y38-W42 HydrophobicContact CE2-CZ3 4.42Å; Y38-W42 AromaticContact CG-CD2 3.96Å; Y38-W42 HydrophobicContact CG-CD2 3.96Å; Y38-W42 AromaticContact CG-CE3 3.76Å; Y38-W42 HydrophobicContact CG-CE3 3.76Å; Y38-W42 HydrophobicContact CG-CH2 4.4Å; Y38-W42 AromaticContact CG-CZ3 3.99Å; Y38-W42 HydrophobicContact CG-CZ3 3.99Å; P39-W42 HydrophobicContact CG-CB 4Å; P39-W42 VanDerWaalsContact O-CB 3.24Å; P39-W42 WeakPolarHBondContact O-CB 3.31Å; P39-W42 PolarHBondContact O-N 2.82Å; D40-W42 VanDerWaalsContact C-N 3.29Å; D40-W42 PolarHBondContact O-N 2.89Å; W42-R44 PolarHBondContact O-N 2.87Å; W42-D45 WeakPolarHBondContact O-CB 3.08Å; W42-D45 PolarHBondContact O-N 2.85Å; W42-I46 HydrophobicContact CD2-CG2 4.2Å; W42-I46 HydrophobicContact CE3-CD1 4Å; W42-I46 HydrophobicContact CE3-CG1 4.33Å; W42-I46 HydrophobicContact CH2-CD1 3.55Å; W42-I46 HydrophobicContact CZ2-CD1 4.17Å; W42-I46 HydrophobicContact CZ2-CG2 4.05Å; W42-I46 HydrophobicContact CZ3-CD1 3.45Å; W42-I46 VanDerWaalsContact CZ3-CD1 3.45Å; W42-I46 HydrophobicContact CZ3-CG1 4.26Å; W42-I46 WeakPolarHBondContact O-CG1 3.5Å; W42-I46 PolarHBondContact O-N 3.49Å; W42-L99 HydrophobicContact CZ2-CB 4.34Å
43	Y	98.1	Very high	95.3	Very high	15 Å²	15	64.6 Å²	64.6	6%	0.059	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-46.8	176.8	-68	-74	0	0	0	111.9	V26 K27 C30 Y38 D40 D45 I46 T47	V26-Y43 HydrophobicContact CG1-CD1 3.9Å; V26-Y43 HydrophobicContact CG1-CE1 4.09Å; K27-Y43 HydrophobicContact CB-CE1 4.27Å; K27-Y43 HydrophobicContact CD-CD2 4.21Å; K27-Y43 HydrophobicContact CD-CG 4.38Å; K27-Y43 HydrophobicContact CG-CD1 3.65Å; K27-Y43 HydrophobicContact CG-CD2 3.55Å; K27-Y43 HydrophobicContact CG-CE1 3.75Å; K27-Y43 HydrophobicContact CG-CE2 3.64Å; K27-Y43 HydrophobicContact CG-CG 3.54Å; C30-Y43 HydrophobicContact CB-CE1 4.01Å; C30-Y43 WeakPolarHBondContact CB-OH 3.48Å; Y38-Y43 WeakPolarHBondContact O-CE2 3.31Å; D40-Y43 PolarHBondContact O-N 3.06Å; Y43-D45 VanDerWaalsContact C-N 3.3Å; Y43-D45 PolarHBondContact O-N 2.84Å; Y43-I46 VanDerWaalsContact O-CG1 3.32Å; Y43-I46 WeakPolarHBondContact O-CG1 3.28Å; Y43-I46 PolarHBondContact O-N 3.08Å; Y43-T47 WeakPolarHBondContact O-CG2 3.34Å; Y43-T47 PolarHBondContact O-N 3.46Å; Y43-T47 VanDerWaalsContact O-N 3.14Å; Y43-T47 PolarHBondContact O-OG1 3.15Å
44	R	97.9	Very high	95.6	Very high	121 Å²	121	63.5 Å²	63.5	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-57.1	-45.4	175.1	-74	-170.9	-67.1	-89.9	2.4	111.9	I23 D40 S41 W42 T47 S48	I23-R44 HydrophobicContact CD1-CG 3.91Å; D40-R44 PolarHBondContact O-N 2.98Å; S41-R44 PolarHBondContact O-N 3.23Å; W42-R44 PolarHBondContact O-N 2.87Å; R44-T47 PolarHBondContact O-N 2.83Å; R44-T47 PolarHBondContact O-OG1 3.12Å; R44-T47 VanDerWaalsContact O-OG1 3.08Å; R44-S48 VanDerWaalsContact O-CB 3.28Å; R44-S48 WeakPolarHBondContact O-CB 3.23Å; R44-S48 PolarHBondContact O-N 3.18Å; R44-S48 PolarHBondContact O-OG 2.86Å
45	D	97.5	Very high	95.9	Very high	73 Å²	73	62.4 Å²	62.4	39%	0.39	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-50.8	-179.5	-92.4	3.1	0	0	0	111.6	S41 W42 Y43 T47 S48 N49 F52	S41-D45 WeakPolarHBondContact O-CB 3.49Å; S41-D45 PolarHBondContact O-N 3.35Å; W42-D45 WeakPolarHBondContact O-CB 3.08Å; W42-D45 PolarHBondContact O-N 2.85Å; Y43-D45 VanDerWaalsContact C-N 3.3Å; Y43-D45 PolarHBondContact O-N 2.84Å; D45-T47 VanDerWaalsContact C-N 3.28Å; D45-T47 PolarHBondContact O-N 2.8Å; D45-S48 PolarHBondContact O-N 3.25Å; D45-N49 WeakPolarHBondContact O-CA 3.31Å; D45-N49 WeakPolarHBondContact O-CB 3.21Å; D45-N49 PolarHBondContact O-N 2.78Å; D45-F52 HydrophobicContact CB-CE2 3.97Å; D45-F52 WeakPolarHBondContact O-CD2 3.25Å
46	I	98.1	Very high	96.4	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-70	-24.4	-177	64.9	156.7	0	0	0	112.9	V26 W42 Y43 F52 S54 M66 V68	V26-I46 HydrophobicContact CG1-CD1 3.99Å; W42-I46 HydrophobicContact CD2-CG2 4.2Å; W42-I46 HydrophobicContact CE3-CD1 4Å; W42-I46 HydrophobicContact CE3-CG1 4.33Å; W42-I46 HydrophobicContact CH2-CD1 3.55Å; W42-I46 HydrophobicContact CZ2-CD1 4.17Å; W42-I46 HydrophobicContact CZ2-CG2 4.05Å; W42-I46 HydrophobicContact CZ3-CD1 3.45Å; W42-I46 VanDerWaalsContact CZ3-CD1 3.45Å; W42-I46 HydrophobicContact CZ3-CG1 4.26Å; W42-I46 WeakPolarHBondContact O-CG1 3.5Å; W42-I46 PolarHBondContact O-N 3.49Å; Y43-I46 VanDerWaalsContact O-CG1 3.32Å; Y43-I46 WeakPolarHBondContact O-CG1 3.28Å; Y43-I46 PolarHBondContact O-N 3.08Å; I46-F52 HydrophobicContact CG2-CD2 4.42Å; I46-F52 HydrophobicContact CG2-CE2 4.35Å; I46-F52 HydrophobicContact CG2-CZ 4.47Å; I46-S54 WeakPolarHBondContact O-CB 3.42Å; I46-S54 PolarHBondContact O-OG 3.35Å; I46-M66 HydrophobicContact CD1-CE 4.48Å; I46-V68 HydrophobicContact CB-CG1 3.89Å; I46-V68 HydrophobicContact CB-CG2 4.49Å; I46-V68 HydrophobicContact CD1-CG2 3.98Å; I46-V68 HydrophobicContact CG2-CG1 3.67Å
47	T	98.1	Very high	96.8	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.043	28%	0.284	C	S	.	.	H	α-helix	trans	-90.5	-16.2	179.2	55.8	0	0	0	0	114.4	L18 C19 H20 I23 Y43 R44 D45	L18-T47 HydrophobicContact CB-CG2 4.4Å; L18-T47 HydrophobicContact CD1-CG2 4.41Å; C19-T47 CarbonylContact C-O 3.59Å; C19-T47 VanDerWaalsContact C-O 3.29Å; C19-T47 WeakPolarHBondContact CA-O 3.41Å; C19-T47 WeakPolarHBondContact O-CB 3.07Å; H20-T47 PolarHBondContact N-O 3.07Å; I23-T47 HydrophobicContact CG1-CG2 3.82Å; I23-T47 VanDerWaalsContact CG1-OG1 3.26Å; I23-T47 WeakPolarHBondContact CG1-OG1 3.36Å; Y43-T47 WeakPolarHBondContact O-CG2 3.34Å; Y43-T47 PolarHBondContact O-N 3.46Å; Y43-T47 VanDerWaalsContact O-N 3.14Å; Y43-T47 PolarHBondContact O-OG1 3.15Å; R44-T47 PolarHBondContact O-N 2.83Å; R44-T47 PolarHBondContact O-OG1 3.12Å; R44-T47 VanDerWaalsContact O-OG1 3.08Å; D45-T47 VanDerWaalsContact C-N 3.28Å; D45-T47 PolarHBondContact O-N 2.8Å
48	S	96.5	Very high	97.5	Very high	68 Å²	68	50 Å²	50	48%	0.476	25%	0.25	S	C	.	.	H	α-helix	trans	-130.9	-21	-169.3	-55.4	0	0	0	0	114.1	H20 R44 D45	H20-S48 PolarHBondContact ND1-OG 3.25Å; R44-S48 VanDerWaalsContact O-CB 3.28Å; R44-S48 WeakPolarHBondContact O-CB 3.23Å; R44-S48 PolarHBondContact O-N 3.18Å; R44-S48 PolarHBondContact O-OG 2.86Å; D45-S48 PolarHBondContact O-N 3.25Å
49	N	97.3	Very high	97.6	Very high	67 Å²	67	48.2 Å²	48.2	36%	0.358	24%	0.243	S	C	.	.			trans	-90.5	118.2	-179.2	-167.2	-25.6	0	0	0	111.5	D45 K51 F52	D45-N49 WeakPolarHBondContact O-CA 3.31Å; D45-N49 WeakPolarHBondContact O-CB 3.21Å; D45-N49 PolarHBondContact O-N 2.78Å; N49-K51 HydrophobicContact CB-CG 4.41Å; N49-K51 PolarHBondContact O-N 3.5Å; N49-K51 VanDerWaalsContact O-N 3.08Å; N49-K51 WeakPolarHBondContact OD1-CB 3.5Å; N49-K51 WeakPolarHBondContact OD1-CG 3.12Å; N49-K51 PolarHBondContact OD1-N 2.97Å; N49-F52 HydrophobicContact CB-CD2 3.99Å; N49-F52 HydrophobicContact CB-CE2 4.19Å; N49-F52 PolarHBondContact O-N 3.04Å; N49-F52 VanDerWaalsContact O-N 3.15Å
50	K	95.5	Very high	97.5	Very high	206 Å²	206	52.2 Å²	52.2	90%	0.896	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.2	-179.4	-63.1	-174.1	179.3	-177.7	0	114.8	F52	K50-F52 PolarHBondContact O-N 2.9Å
51	K	96.8	Very high	97.3	Very high	99 Å²	99	51.3 Å²	51.3	43%	0.43	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.6	172	80	-179.8	-178.2	161.8	0	112.4	N49 E70	N49-K51 HydrophobicContact CB-CG 4.41Å; N49-K51 PolarHBondContact O-N 3.5Å; N49-K51 VanDerWaalsContact O-N 3.08Å; N49-K51 WeakPolarHBondContact OD1-CB 3.5Å; N49-K51 WeakPolarHBondContact OD1-CG 3.12Å; N49-K51 PolarHBondContact OD1-N 2.97Å; K51-E70 IonicContact NZ-OE1 3.63Å
52	F	98.4	Very high	97.3	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.088	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.5	178.6	-60.8	-70.7	0	0	0	111	D45 I46 N49 K50 S54 V68 A69 E70 L99	D45-F52 HydrophobicContact CB-CE2 3.97Å; D45-F52 WeakPolarHBondContact O-CD2 3.25Å; I46-F52 HydrophobicContact CG2-CD2 4.42Å; I46-F52 HydrophobicContact CG2-CE2 4.35Å; I46-F52 HydrophobicContact CG2-CZ 4.47Å; N49-F52 HydrophobicContact CB-CD2 3.99Å; N49-F52 HydrophobicContact CB-CE2 4.19Å; N49-F52 PolarHBondContact O-N 3.04Å; N49-F52 VanDerWaalsContact O-N 3.15Å; K50-F52 PolarHBondContact O-N 2.9Å; F52-S54 WeakPolarHBondContact CB-OG 3.49Å; F52-S54 PolarHBondContact O-N 3.28Å; F52-V68 HydrophobicContact CD1-CG1 4.49Å; F52-A69 CarbonylContact C-O 3.54Å; F52-A69 WeakPolarHBondContact CA-O 3.32Å; F52-E70 HydrophobicContact CD1-CB 3.82Å; F52-E70 HydrophobicContact CD1-CG 4.26Å; F52-E70 HydrophobicContact CE1-CB 3.92Å; F52-E70 HydrophobicContact CE1-CG 4.22Å; F52-L99 HydrophobicContact CD1-CD1 4.14Å; F52-L99 HydrophobicContact CD1-CD2 4.38Å; F52-L99 HydrophobicContact CE1-CD1 4.07Å; F52-L99 HydrophobicContact CE1-CD2 3.7Å; F52-L99 HydrophobicContact CZ-CD2 4.33Å
53	F	98.6	Very high	97.3	Very high	23 Å²	23	50.1 Å²	50.1	10%	0.101	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	94.5	158.7	-178.6	-101.9	0	0	0	108.1	L17 L55 I67 V68 A69 L120 H123	L17-F53 HydrophobicContact CD2-CD2 4.49Å; L17-F53 HydrophobicContact CD2-CE2 4.45Å; F53-L55 HydrophobicContact CD1-CB 4.41Å; F53-L55 HydrophobicContact CE1-CB 3.8Å; F53-L55 HydrophobicContact CE1-CD2 4.08Å; F53-L55 HydrophobicContact CZ-CB 3.94Å; F53-L55 HydrophobicContact CZ-CD1 4.38Å; F53-L55 HydrophobicContact CZ-CD2 3.85Å; F53-L55 HydrophobicContact CZ-CG 4.29Å; F53-I67 HydrophobicContact CE1-CG2 4.17Å; F53-V68 WeakPolarHBondContact O-CA 3.45Å; F53-A69 PolarHBondContact N-O 3.37Å; F53-A69 PolarHBondContact O-N 3.22Å; F53-L120 HydrophobicContact CD1-CB 4.36Å; F53-L120 HydrophobicContact CD1-CD1 3.71Å; F53-L120 HydrophobicContact CE1-CB 4.07Å; F53-L120 HydrophobicContact CE1-CD1 4.21Å; F53-L120 HydrophobicContact CG-CD1 4.35Å; F53-H123 HydrophobicContact CD2-CB 3.98Å; F53-H123 AromaticContact CD2-CD2 3.33Å; F53-H123 WeakPolarHBondContact CD2-CD2 3.43Å; F53-H123 AromaticContact CD2-CE1 3.73Å; F53-H123 AromaticContact CD2-CG 3.37Å; F53-H123 AromaticContact CD2-ND1 3.63Å; F53-H123 AromaticContact CD2-NE2 3.56Å; F53-H123 HydrophobicContact CE1-CB 4.42Å; F53-H123 HydrophobicContact CE2-CB 3.61Å; F53-H123 AromaticContact CE2-CD2 3.91Å; F53-H123 AromaticContact CE2-CG 3.44Å; F53-H123 VanDerWaalsContact CE2-CG 3.44Å; F53-H123 AromaticContact CE2-ND1 3.68Å; F53-H123 AromaticContact CG-CD2 3.63Å; F53-H123 HydrophobicContact CZ-CB 3.83Å
54	S	98.8	Very high	97.4	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	97.4	-178.1	-65.5	0	0	0	0	109.8	L17 L18 I46 F52	L17-S54 CarbonylContact C-O 3.59Å; L17-S54 VanDerWaalsContact CA-O 3.27Å; L17-S54 WeakPolarHBondContact CA-O 3.37Å; L17-S54 WeakPolarHBondContact CD2-O 3.36Å; L18-S54 PolarHBondContact N-O 2.85Å; I46-S54 WeakPolarHBondContact O-CB 3.42Å; I46-S54 PolarHBondContact O-OG 3.35Å; F52-S54 WeakPolarHBondContact CB-OG 3.49Å; F52-S54 PolarHBondContact O-N 3.28Å
55	L	98.8	Very high	97.4	Very high	15 Å²	15	44 Å²	44	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	-172.3	-172.6	77.9	0	0	0	110.8	L15 L17 F53 M66 I67 L116 S119	L15-L55 HydrophobicContact CB-CD1 4.27Å; L15-L55 HydrophobicContact CB-CD2 4.49Å; L15-L55 HydrophobicContact CD1-CD2 4.29Å; L15-L55 HydrophobicContact CD2-CD2 4.28Å; L17-L55 HydrophobicContact CD2-CD1 4.15Å; F53-L55 HydrophobicContact CD1-CB 4.41Å; F53-L55 HydrophobicContact CE1-CB 3.8Å; F53-L55 HydrophobicContact CE1-CD2 4.08Å; F53-L55 HydrophobicContact CZ-CB 3.94Å; F53-L55 HydrophobicContact CZ-CD1 4.38Å; F53-L55 HydrophobicContact CZ-CD2 3.85Å; F53-L55 HydrophobicContact CZ-CG 4.29Å; L55-M66 CarbonylContact O-C 3.53Å; L55-M66 WeakPolarHBondContact O-CA 3.21Å; L55-M66 WeakPolarHBondContact O-CB 3.26Å; L55-I67 HydrophobicContact CB-CG2 3.98Å; L55-I67 PolarHBondContact N-O 3.09Å; L55-I67 PolarHBondContact O-N 3.3Å; L55-L116 HydrophobicContact CD2-CD2 4.2Å; L55-L116 HydrophobicContact CG-CD2 4.46Å; L55-S119 VanDerWaalsContact CD2-CB 3.5Å
56	A	98.8	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.7	172.8	0	0	0	0	0	111.6	L15 R16 L18 I63 G65	L15-A56 WeakPolarHBondContact CA-O 3.04Å; R16-A56 PolarHBondContact N-O 3.04Å; R16-A56 PolarHBondContact O-N 2.87Å; L18-A56 HydrophobicContact CD2-CB 3.74Å; A56-I63 HydrophobicContact CB-CD1 4.27Å; A56-I63 HydrophobicContact CB-CG1 4.15Å; A56-I63 HydrophobicContact CB-CG2 4.15Å; A56-G65 CarbonylContact C-O 3.46Å; A56-G65 WeakPolarHBondContact CA-O 3.34Å
57	A	98.7	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.3	160.8	0	0	0	0	0	108.8	V13 S14 L15 V64 G65 I112 L116	V13-A57 HydrophobicContact CG1-CB 3.86Å; S14-A57 WeakPolarHBondContact O-CA 3.36Å; L15-A57 HydrophobicContact CD2-CB 3.99Å; A57-V64 HydrophobicContact CB-CG2 4.47Å; A57-V64 WeakPolarHBondContact O-CG2 3.39Å; A57-V64 PolarHBondContact O-N 3.07Å; A57-G65 PolarHBondContact N-O 3.24Å; A57-G65 PolarHBondContact O-N 2.77Å; A57-I112 HydrophobicContact CB-CG2 3.69Å; A57-L116 HydrophobicContact CB-CD1 4.38Å; A57-L116 HydrophobicContact CB-CD2 4.04Å; A57-L116 HydrophobicContact CB-CG 4.33Å
58	T	98.3	Very high	97.5	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.08	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.1	-178.3	61.6	0	0	0	0	111.4	V13 S14 R16 A62 I63	V13-T58 WeakPolarHBondContact CA-O 3.14Å; S14-T58 PolarHBondContact N-O 3.17Å; S14-T58 PolarHBondContact O-N 3.34Å; S14-T58 PolarHBondContact O-OG1 2.66Å; R16-T58 HydrophobicContact CG-CG2 4.2Å; T58-A62 CarbonylContact C-O 3.46Å; T58-A62 WeakPolarHBondContact CA-O 3.24Å; T58-I63 HydrophobicContact CG2-CG1 4.18Å
59	Y	96.8	Very high	97.6	Very high	18 Å²	18	36.9 Å²	36.9	7%	0.071	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.1	171.8	179.6	-100	0	0	0	108.4	A9 E12 V13 G61 A62 F107	A9-Y59 HydrophobicContact CB-CD2 4.48Å; A9-Y59 HydrophobicContact CB-CE2 4.18Å; E12-Y59 HydrophobicContact CB-CD2 3.86Å; E12-Y59 HydrophobicContact CB-CE2 3.56Å; E12-Y59 HydrophobicContact CG-CE2 4.3Å; E12-Y59 WeakPolarHBondContact OE2-CE2 3.26Å; E12-Y59 VanDerWaalsContact OE2-CZ 3.28Å; E12-Y59 PolarHBondContact OE2-OH 2.92Å; V13-Y59 HydrophobicContact CG2-CD2 4.47Å; Y59-G61 PolarHBondContact O-N 3.47Å; Y59-G61 VanDerWaalsContact O-N 3.17Å; Y59-A62 PolarHBondContact N-O 3.07Å; Y59-A62 PolarHBondContact O-N 3.16Å; Y59-F107 AromaticContact CD1-CE1 3.65Å; Y59-F107 HydrophobicContact CD1-CE1 3.65Å; Y59-F107 AromaticContact CD1-CZ 3.57Å; Y59-F107 HydrophobicContact CD1-CZ 3.57Å; Y59-F107 HydrophobicContact CD2-CE1 4.14Å; Y59-F107 HydrophobicContact CE1-CE1 4.21Å; Y59-F107 HydrophobicContact CE1-CZ 4.14Å; Y59-F107 AromaticContact CG-CE1 3.63Å; Y59-F107 HydrophobicContact CG-CE1 3.63Å; Y59-F107 AromaticContact CG-CZ 4Å; Y59-F107 HydrophobicContact CG-CZ 4Å
60	R	94.2	Very high	97.7	Very high	165 Å²	165	35 Å²	35	62%	0.623	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	39.5	-174.9	-60.1	-179.5	179.2	177.4	-1	113.3	E3 E12 A62	E3-R60 IonicContact OE2-NH1 3.16Å; E12-R60 IonicContact OE2-NE 3.97Å; R60-A62 VanDerWaalsContact C-N 3.29Å; R60-A62 PolarHBondContact O-N 3.26Å
61	G	91.5	Very high	97.8	Very high	64 Å²	64	27 Å²	27	66%	0.66	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	-15.1	179.5	0	0	0	0	0	115.8	Y59	Y59-G61 PolarHBondContact O-N 3.47Å; Y59-G61 VanDerWaalsContact O-N 3.17Å
62	A	97.1	Very high	97.9	Very high	58 Å²	58	22.9 Å²	22.9	48%	0.479	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.4	178.1	0	0	0	0	0	111.6	T58 Y59 R60 V64	T58-A62 CarbonylContact C-O 3.46Å; T58-A62 WeakPolarHBondContact CA-O 3.24Å; Y59-A62 PolarHBondContact N-O 3.07Å; Y59-A62 PolarHBondContact O-N 3.16Å; R60-A62 VanDerWaalsContact C-N 3.29Å; R60-A62 PolarHBondContact O-N 3.26Å; A62-V64 PolarHBondContact O-N 2.93Å
63	I	98.5	Very high	97.9	Very high	13 Å²	13	23.8 Å²	23.8	7%	0.067	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	122	174.7	-60.9	175	0	0	0	109.1	L18 D22 T25 L29 A56 T58	L18-I63 HydrophobicContact CD2-CD1 3.92Å; D22-I63 HydrophobicContact CB-CD1 4.09Å; T25-I63 HydrophobicContact CG2-CB 4.2Å; T25-I63 HydrophobicContact CG2-CD1 4.13Å; T25-I63 HydrophobicContact CG2-CG1 4.47Å; L29-I63 HydrophobicContact CD1-CB 3.98Å; L29-I63 HydrophobicContact CD1-CG2 3.64Å; A56-I63 HydrophobicContact CB-CD1 4.27Å; A56-I63 HydrophobicContact CB-CG1 4.15Å; A56-I63 HydrophobicContact CB-CG2 4.15Å; T58-I63 HydrophobicContact CG2-CG1 4.18Å
64	V	98.3	Very high	97.8	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.042	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-8.5	177.9	-64.5	0	0	0	0	113.1	A57 A62 V103 V104 F107 I112	A57-V64 HydrophobicContact CB-CG2 4.47Å; A57-V64 WeakPolarHBondContact O-CG2 3.39Å; A57-V64 PolarHBondContact O-N 3.07Å; A62-V64 PolarHBondContact O-N 2.93Å; V64-V103 CarbonylContact O-C 3.57Å; V64-V103 WeakPolarHBondContact O-CA 3.14Å; V64-V103 WeakPolarHBondContact O-CG1 3.32Å; V64-V104 HydrophobicContact CB-CG2 4.46Å; V64-V104 WeakPolarHBondContact O-CB 3.37Å; V64-V104 WeakPolarHBondContact O-CG2 3.16Å; V64-V104 PolarHBondContact O-N 3.08Å; V64-F107 HydrophobicContact CB-CB 4.46Å; V64-F107 HydrophobicContact CB-CD1 4.28Å; V64-F107 HydrophobicContact CB-CD2 4.07Å; V64-F107 HydrophobicContact CB-CE2 4.4Å; V64-F107 HydrophobicContact CB-CG 4.01Å; V64-F107 HydrophobicContact CG1-CD1 4.29Å; V64-F107 HydrophobicContact CG1-CD2 3.88Å; V64-F107 HydrophobicContact CG1-CE1 4.13Å; V64-F107 HydrophobicContact CG1-CE2 3.7Å; V64-F107 HydrophobicContact CG1-CG 4.17Å; V64-F107 HydrophobicContact CG1-CZ 3.84Å; V64-F107 HydrophobicContact CG2-CD1 4.36Å; V64-F107 HydrophobicContact CG2-CG 4.48Å; V64-I112 HydrophobicContact CG2-CD1 4.24Å
65	G	98.6	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	164	171.5	0	0	0	0	0	111.2	A56 A57 G102	A56-G65 CarbonylContact C-O 3.46Å; A56-G65 WeakPolarHBondContact CA-O 3.34Å; A57-G65 PolarHBondContact N-O 3.24Å; A57-G65 PolarHBondContact O-N 2.77Å; G65-G102 CarbonylContact C-O 3.6Å; G65-G102 WeakPolarHBondContact CA-O 3.44Å
66	M	98.8	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.2	174.1	79.2	-169.7	-170.8	0	0	111.7	L18 V26 C30 W33 I46 L55 V68 S100 L101 G102	L18-M66 HydrophobicContact CD1-SD 4.18Å; V26-M66 HydrophobicContact CG1-CE 3.79Å; V26-M66 HydrophobicContact CG1-SD 3.73Å; V26-M66 HydrophobicContact CG2-SD 4.2Å; C30-M66 WeakPolarHBondContact SG-CE 3.2Å; W33-M66 HydrophobicContact CH2-CG 4.18Å; W33-M66 HydrophobicContact CZ3-CE 4Å; W33-M66 HydrophobicContact CZ3-CG 3.74Å; W33-M66 HydrophobicContact CZ3-SD 3.97Å; I46-M66 HydrophobicContact CD1-CE 4.48Å; L55-M66 CarbonylContact O-C 3.53Å; L55-M66 WeakPolarHBondContact O-CA 3.21Å; L55-M66 WeakPolarHBondContact O-CB 3.26Å; M66-V68 HydrophobicContact CE-CG2 4.21Å; M66-V68 HydrophobicContact CG-CG2 4.49Å; M66-V68 HydrophobicContact SD-CG2 4.41Å; M66-S100 WeakPolarHBondContact CE-OG 3.17Å; M66-L101 WeakPolarHBondContact O-CA 3.44Å; M66-G102 PolarHBondContact N-O 3.17Å; M66-G102 PolarHBondContact O-N 3.42Å
67	I	98.9	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.8	163.3	-168.2	165.9	0	0	0	109	F53 L55 I98 S100 L101 L116 L117 L120	F53-I67 HydrophobicContact CE1-CG2 4.17Å; L55-I67 HydrophobicContact CB-CG2 3.98Å; L55-I67 PolarHBondContact N-O 3.09Å; L55-I67 PolarHBondContact O-N 3.3Å; I67-I98 HydrophobicContact CD1-CD1 4.29Å; I67-I98 HydrophobicContact CD1-CG2 4.44Å; I67-I98 HydrophobicContact CG1-CG2 4.17Å; I67-S100 CarbonylContact C-O 3.6Å; I67-S100 WeakPolarHBondContact CA-O 3.22Å; I67-L101 HydrophobicContact CB-CD1 3.95Å; I67-L101 HydrophobicContact CD1-CD1 4.24Å; I67-L101 HydrophobicContact CG1-CB 4.5Å; I67-L101 HydrophobicContact CG1-CD1 4.19Å; I67-L116 HydrophobicContact CB-CB 4.08Å; I67-L116 HydrophobicContact CG2-CB 3.98Å; I67-L116 HydrophobicContact CG2-CD2 4.07Å; I67-L117 HydrophobicContact CD1-CD1 4.35Å; I67-L120 HydrophobicContact CD1-CB 3.97Å; I67-L120 HydrophobicContact CD1-CD2 3.67Å; I67-L120 HydrophobicContact CD1-CG 4.45Å; I67-L120 HydrophobicContact CG1-CD2 4.46Å
68	V	98.8	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.5	175.4	-179.5	0	0	0	0	107.7	L18 I46 F52 F53 M66 L99 S100	L18-V68 HydrophobicContact CD1-CG2 4.41Å; I46-V68 HydrophobicContact CB-CG1 3.89Å; I46-V68 HydrophobicContact CB-CG2 4.49Å; I46-V68 HydrophobicContact CD1-CG2 3.98Å; I46-V68 HydrophobicContact CG2-CG1 3.67Å; F52-V68 HydrophobicContact CD1-CG1 4.49Å; F53-V68 WeakPolarHBondContact O-CA 3.45Å; M66-V68 HydrophobicContact CE-CG2 4.21Å; M66-V68 HydrophobicContact CG-CG2 4.49Å; M66-V68 HydrophobicContact SD-CG2 4.41Å; V68-L99 HydrophobicContact CB-CB 4.42Å; V68-L99 HydrophobicContact CG1-CB 4.18Å; V68-L99 HydrophobicContact CG1-CD1 4.38Å; V68-L99 PolarHBondContact O-N 3.33Å; V68-S100 PolarHBondContact N-O 3.27Å; V68-S100 PolarHBondContact O-N 3.27Å
69	A	98.8	Very high	97.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.5	179	0	0	0	0	0	112.4	F52 F53 Y97 L120	F52-A69 CarbonylContact C-O 3.54Å; F52-A69 WeakPolarHBondContact CA-O 3.32Å; F53-A69 PolarHBondContact N-O 3.37Å; F53-A69 PolarHBondContact O-N 3.22Å; A69-Y97 CarbonylContact C-O 3.5Å; A69-Y97 WeakPolarHBondContact CA-O 3.5Å; A69-Y97 WeakPolarHBondContact CB-O 3.46Å; A69-L120 HydrophobicContact CB-CD1 3.62Å; A69-L120 HydrophobicContact CB-CD2 3.85Å; A69-L120 HydrophobicContact CB-CG 4.42Å
70	E	98.6	Very high	97.1	Very high	29 Å²	29	52.3 Å²	52.3	14%	0.136	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.4	171.4	-171.7	178.8	-169.5	0	0	109.1	K51 F52 K72 A96 Y97 L99	K51-E70 IonicContact NZ-OE1 3.63Å; F52-E70 HydrophobicContact CD1-CB 3.82Å; F52-E70 HydrophobicContact CD1-CG 4.26Å; F52-E70 HydrophobicContact CE1-CB 3.92Å; F52-E70 HydrophobicContact CE1-CG 4.22Å; E70-K72 HydrophobicContact CG-CB 4.26Å; E70-A96 WeakPolarHBondContact O-CA 3.28Å; E70-Y97 PolarHBondContact N-O 3.17Å; E70-Y97 PolarHBondContact O-N 3.38Å; E70-L99 HydrophobicContact CB-CD1 3.93Å
71	I	98.6	Very high	97.3	Very high	38 Å²	38	44.5 Å²	44.5	20%	0.195	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.1	166.4	-58.6	174.9	0	0	0	107	Q94 V95 A96 I124 A128	I71-Q94 HydrophobicContact CG2-CB 4.2Å; I71-V95 WeakPolarHBondContact CA-O 3.44Å; I71-A96 HydrophobicContact CG1-CB 4.31Å; I71-I124 HydrophobicContact CD1-CG1 3.88Å; I71-I124 HydrophobicContact CG1-CG1 4.31Å; I71-A128 HydrophobicContact CD1-CB 4.3Å; I71-A128 HydrophobicContact CG2-CB 4.15Å
72	K	98	Very high	97.4	Very high	12 Å²	12	43.7 Å²	43.7	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.2	-175.3	62.4	-177.6	-177.8	172.1	0	111.6	E70 K76 Q94 V95 Y136	E70-K72 HydrophobicContact CG-CB 4.26Å; K72-K76 HydrophobicContact CB-CB 4.26Å; K72-K76 HydrophobicContact CB-CD 4.13Å; K72-K76 HydrophobicContact CD-CB 3.87Å; K72-K76 WeakPolarHBondContact CE-O 3.36Å; K72-K76 HydrophobicContact CG-CB 4.27Å; K72-K76 PolarHBondContact NZ-O 3.3Å; K72-Q94 CarbonylContact O-C 3.48Å; K72-Q94 VanDerWaalsContact O-CA 3.24Å; K72-Q94 WeakPolarHBondContact O-CA 3.44Å; K72-Q94 WeakPolarHBondContact O-CB 3.38Å; K72-V95 HydrophobicContact CG-CG2 4.08Å; K72-V95 PolarHBondContact N-O 3.01Å; K72-V95 PolarHBondContact O-N 2.93Å; K72-Y136 WeakPolarHBondContact CE-OH 3.35Å; K72-Y136 PolarHBondContact NZ-OH 3Å
73	N	97.9	Very high	97.4	Very high	38 Å²	38	44 Å²	44	20%	0.203	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	145.2	173.3	-173.1	-77.2	0	0	0	110.7	T75 K76 V91	N73-T75 PolarHBondContact O-N 3.41Å; N73-T75 VanDerWaalsContact O-N 3.08Å; N73-T75 WeakPolarHBondContact OD1-CB 3.35Å; N73-T75 WeakPolarHBondContact OD1-CG2 3.33Å; N73-T75 PolarHBondContact OD1-N 3.39Å; N73-T75 PolarHBondContact OD1-OG1 3.14Å; N73-K76 WeakPolarHBondContact O-CB 3.42Å; N73-K76 PolarHBondContact O-N 2.89Å; N73-V91 PolarHBondContact ND2-O 2.71Å; N73-V91 PolarHBondContact OD1-O 3.11Å
74	R	96.9	Very high	97.3	Very high	43 Å²	43	43.4 Å²	43.4	16%	0.162	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-54.3	-28.6	179.5	68.1	173.8	-60.6	178	12.3	113.7	K76 I77 L85 A86 F89 S90 T93	R74-K76 PolarHBondContact O-N 3.21Å; R74-I77 HydrophobicContact CB-CD1 4.14Å; R74-I77 WeakPolarHBondContact O-CB 3.35Å; R74-I77 WeakPolarHBondContact O-CD1 3.31Å; R74-I77 VanDerWaalsContact O-CG1 3.23Å; R74-I77 WeakPolarHBondContact O-CG1 3.41Å; R74-I77 PolarHBondContact O-N 3.17Å; R74-I77 VanDerWaalsContact O-N 3.13Å; R74-L85 HydrophobicContact CB-CD1 4.25Å; R74-L85 PolarHBondContact NH2-O 3.47Å; R74-A86 VanDerWaalsContact CZ-O 3.31Å; R74-A86 PolarHBondContact NH1-O 3.46Å; R74-A86 PolarHBondContact NH2-O 3.48Å; R74-F89 PolarHBondContact NH1-O 2.94Å; R74-S90 VanDerWaalsContact CD-O 3.31Å; R74-S90 WeakPolarHBondContact CD-O 3.36Å; R74-T93 WeakPolarHBondContact CB-O 3.46Å; R74-T93 PolarHBondContact N-O 2.88Å
75	T	96.1	Very high	97.2	Very high	106 Å²	106	43.2 Å²	43.2	65%	0.65	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-66.9	-17.3	176.9	57.3	0	0	0	0	113.3	N73	N73-T75 PolarHBondContact O-N 3.41Å; N73-T75 VanDerWaalsContact O-N 3.08Å; N73-T75 WeakPolarHBondContact OD1-CB 3.35Å; N73-T75 WeakPolarHBondContact OD1-CG2 3.33Å; N73-T75 PolarHBondContact OD1-N 3.39Å; N73-T75 PolarHBondContact OD1-OG1 3.14Å
76	K	97.3	Very high	97	Very high	128 Å²	128	43.4 Å²	43.4	56%	0.557	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-93.6	5.8	175.6	-61.3	-176.8	172.7	-177.6	0	113.2	K72 N73 R74	K72-K76 HydrophobicContact CB-CB 4.26Å; K72-K76 HydrophobicContact CB-CD 4.13Å; K72-K76 HydrophobicContact CD-CB 3.87Å; K72-K76 WeakPolarHBondContact CE-O 3.36Å; K72-K76 HydrophobicContact CG-CB 4.27Å; K72-K76 PolarHBondContact NZ-O 3.3Å; N73-K76 WeakPolarHBondContact O-CB 3.42Å; N73-K76 PolarHBondContact O-N 2.89Å; R74-K76 PolarHBondContact O-N 3.21Å
77	I	97	Very high	96.7	Very high	22 Å²	22	48.7 Å²	48.7	11%	0.113	26%	0.258	C	S	.	.	S	Bend	trans	-68.2	138.1	168.3	-61.4	169.8	0	0	0	107.4	R74 D81 V95	R74-I77 HydrophobicContact CB-CD1 4.14Å; R74-I77 WeakPolarHBondContact O-CB 3.35Å; R74-I77 WeakPolarHBondContact O-CD1 3.31Å; R74-I77 VanDerWaalsContact O-CG1 3.23Å; R74-I77 WeakPolarHBondContact O-CG1 3.41Å; R74-I77 PolarHBondContact O-N 3.17Å; R74-I77 VanDerWaalsContact O-N 3.13Å; I77-D81 HydrophobicContact CG2-CB 3.6Å; I77-D81 WeakPolarHBondContact CG2-O 3.42Å; I77-V95 HydrophobicContact CD1-CB 4.41Å; I77-V95 HydrophobicContact CD1-CG1 3.78Å; I77-V95 HydrophobicContact CD1-CG2 3.78Å; I77-V95 HydrophobicContact CG1-CG2 3.62Å
78	H	94.6	Very high	96.4	Very high	102 Å²	102	52.5 Å²	52.5	47%	0.472	29%	0.285	S	S	.	.			trans	-68.9	159.8	177.7	-66	-173.8	0	0	0	110.5	E80 D81 G82	H78-E80 VanDerWaalsContact C-N 3.26Å; H78-E80 HydrophobicContact CB-CG 4.28Å; H78-E80 WeakPolarHBondContact CB-OE1 3.43Å; H78-E80 WeakPolarHBondContact CB-OE2 3.41Å; H78-E80 IonicContact CG-OE1 2.77Å; H78-E80 IonicContact ND1-OE1 3.57Å; H78-E80 PolarHBondContact ND1-OE1 2.88Å; H78-E80 VanDerWaalsContact ND1-OE1 3.16Å; H78-E80 PolarHBondContact O-N 2.89Å; H78-D81 PolarHBondContact O-N 3.17Å; H78-D81 VanDerWaalsContact O-N 3.12Å; H78-G82 PolarHBondContact O-N 3.08Å
79	K	95.1	Very high	96.2	Very high	202 Å²	202	54.3 Å²	54.3	88%	0.878	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.1	-34.4	-170.2	-71	-175.7	177.2	-179.6	0	112.6	D81 G82	K79-D81 PolarHBondContact O-N 3.15Å; K79-G82 PolarHBondContact O-N 3.45Å
80	E	96.3	Very high	96	Very high	72 Å²	72	57.3 Å²	57.3	34%	0.336	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-55.6	-35.7	176.7	58.1	-87.3	-156.9	0	0	112.3	H78 H159 L161 Y164	H78-E80 VanDerWaalsContact C-N 3.26Å; H78-E80 HydrophobicContact CB-CG 4.28Å; H78-E80 WeakPolarHBondContact CB-OE1 3.43Å; H78-E80 WeakPolarHBondContact CB-OE2 3.41Å; H78-E80 IonicContact CG-OE1 2.77Å; H78-E80 IonicContact ND1-OE1 3.57Å; H78-E80 PolarHBondContact ND1-OE1 2.88Å; H78-E80 VanDerWaalsContact ND1-OE1 3.16Å; H78-E80 PolarHBondContact O-N 2.89Å; E80-H159 PolarHBondContact O-CE1 3.07Å; E80-H159 PolarHBondContact O-ND1 2.87Å; E80-L161 HydrophobicContact CB-CD2 4.11Å; E80-L161 HydrophobicContact CG-CD2 4.47Å; E80-Y164 HydrophobicContact CG-CE2 4.44Å
81	D	97.4	Very high	95.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-106.5	16.4	-176.3	-64.2	-45.9	0	0	0	113.1	I77 H78 K79 D83 I84 Y136 H138 H159 T176	I77-D81 HydrophobicContact CG2-CB 3.6Å; I77-D81 WeakPolarHBondContact CG2-O 3.42Å; H78-D81 PolarHBondContact O-N 3.17Å; H78-D81 VanDerWaalsContact O-N 3.12Å; K79-D81 PolarHBondContact O-N 3.15Å; D81-D83 PolarHBondContact O-N 3.45Å; D81-I84 HydrophobicContact CB-CD1 3.62Å; D81-I84 HydrophobicContact CB-CG1 4.01Å; D81-I84 VanDerWaalsContact O-CG1 3.28Å; D81-I84 WeakPolarHBondContact O-CG1 3.38Å; D81-I84 PolarHBondContact O-N 3.48Å; D81-Y136 HydrophobicContact CB-CE2 4.45Å; D81-Y136 WeakPolarHBondContact OD2-CE2 3.5Å; D81-H138 IonicContact OD1-NE2 2.98Å; D81-H138 IonicContact OD2-CE1 3.63Å; D81-H138 PolarHBondContact OD2-CE1 2.71Å; D81-H138 IonicContact OD2-NE2 3.73Å; D81-H138 PolarHBondContact OD2-NE2 3.39Å; D81-H159 IonicContact OD1-ND1 3.45Å; D81-T176 WeakPolarHBondContact OD1-CB 3.16Å; D81-T176 WeakPolarHBondContact OD1-CG2 3.42Å; D81-T176 PolarHBondContact OD1-OG1 3.03Å
82	G	94.9	Very high	95.5	Very high	47 Å²	47	63.9 Å²	63.9	49%	0.485	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.8	-169.5	0	0	0	0	0	114.9	H78 K79	H78-G82 PolarHBondContact O-N 3.08Å; K79-G82 PolarHBondContact O-N 3.45Å
83	D	95.6	Very high	95.5	Very high	66 Å²	66	63.6 Å²	63.6	35%	0.353	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	11.8	178.8	69.7	-9.5	0	0	0	113.2	D81 L85 H158 H159 P187	D81-D83 PolarHBondContact O-N 3.45Å; D83-L85 PolarHBondContact O-N 2.72Å; D83-H158 IonicContact OD1-CD2 3.71Å; D83-H158 IonicContact OD1-CE1 3.71Å; D83-H158 IonicContact OD1-NE2 2.75Å; D83-H158 PolarHBondContact OD1-NE2 3Å; D83-H158 IonicContact OD2-NE2 3.57Å; D83-H159 VanDerWaalsContact CG-CE1 3.47Å; D83-H159 VanDerWaalsContact CG-NE2 3.32Å; D83-H159 IonicContact OD1-CE1 2.77Å; D83-H159 PolarHBondContact OD1-CE1 2.98Å; D83-H159 IonicContact OD1-ND1 3.54Å; D83-H159 IonicContact OD1-NE2 3Å; D83-H159 PolarHBondContact OD1-NE2 3.41Å; D83-H159 IonicContact OD2-CE1 2.71Å; D83-H159 PolarHBondContact OD2-CE1 2.69Å; D83-H159 IonicContact OD2-NE2 3.51Å; D83-H159 PolarHBondContact OD2-NE2 2.85Å; D83-P187 HydrophobicContact CB-CG 4.17Å; D83-P187 WeakPolarHBondContact O-CD 3.33Å
84	I	96.8	Very high	95.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-57.6	-40.1	173.1	-75	179	0	0	0	110.5	D81 A134 Y136 T176 V178 Y180 P186	D81-I84 HydrophobicContact CB-CD1 3.62Å; D81-I84 HydrophobicContact CB-CG1 4.01Å; D81-I84 VanDerWaalsContact O-CG1 3.28Å; D81-I84 WeakPolarHBondContact O-CG1 3.38Å; D81-I84 PolarHBondContact O-N 3.48Å; I84-A134 HydrophobicContact CG2-CB 3.99Å; I84-Y136 HydrophobicContact CD1-CD1 4.25Å; I84-Y136 HydrophobicContact CD1-CD2 3.44Å; I84-Y136 VanDerWaalsContact CD1-CD2 3.44Å; I84-Y136 HydrophobicContact CD1-CE2 4.07Å; I84-Y136 HydrophobicContact CD1-CG 3.54Å; I84-T176 HydrophobicContact CD1-CG2 4.1Å; I84-V178 HydrophobicContact CD1-CG2 3.92Å; I84-V178 HydrophobicContact CG1-CG2 3.89Å; I84-V178 HydrophobicContact CG2-CG1 3.93Å; I84-V178 HydrophobicContact CG2-CG2 4.19Å; I84-Y180 HydrophobicContact CG2-CE1 4.34Å; I84-Y180 WeakPolarHBondContact O-CE1 3.32Å; I84-Y180 VanDerWaalsContact O-CZ 3.29Å; I84-Y180 PolarHBondContact O-OH 3.42Å; I84-P186 WeakPolarHBondContact O-CA 3.41Å
85	L	96.9	Very high	95.6	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.016	35%	0.347	C	S	.	.	S	Bend	trans	-116.1	138.6	-178.7	-73.2	176.7	0	0	0	111.9	R74 D83 F89 T93 V95 K133 A134 Y180	R74-L85 HydrophobicContact CB-CD1 4.25Å; R74-L85 PolarHBondContact NH2-O 3.47Å; D83-L85 PolarHBondContact O-N 2.72Å; L85-F89 HydrophobicContact CB-CD2 4.29Å; L85-F89 HydrophobicContact CD2-CD2 4.27Å; L85-F89 HydrophobicContact CD2-CE2 4.27Å; L85-T93 HydrophobicContact CD1-CG2 3.59Å; L85-V95 HydrophobicContact CD1-CG1 3.44Å; L85-V95 VanDerWaalsContact CD1-CG1 3.44Å; L85-V95 HydrophobicContact CG-CG1 4.15Å; L85-K133 HydrophobicContact CD1-CB 4.3Å; L85-K133 HydrophobicContact CD2-CB 3.77Å; L85-A134 HydrophobicContact CD2-CB 4.17Å; L85-Y180 HydrophobicContact CD2-CD1 4.37Å; L85-Y180 HydrophobicContact CD2-CE1 4.12Å
86	A	94.8	Very high	95.8	Very high	3 Å²	3	57.1 Å²	57.1	3%	0.025	32%	0.316	C	S	.	.			trans	-51.9	140.4	172.5	0	0	0	0	0	112.3	R74 S88 F89 H185	R74-A86 VanDerWaalsContact CZ-O 3.31Å; R74-A86 PolarHBondContact NH1-O 3.46Å; R74-A86 PolarHBondContact NH2-O 3.48Å; A86-S88 WeakPolarHBondContact CB-OG 3.49Å; A86-S88 PolarHBondContact O-N 2.84Å; A86-S88 VanDerWaalsContact O-N 3.17Å; A86-F89 HydrophobicContact CB-CD2 3.9Å; A86-F89 HydrophobicContact CB-CE2 3.98Å; A86-F89 WeakPolarHBondContact O-CD2 3.38Å; A86-F89 PolarHBondContact O-N 3.3Å; A86-H185 VanDerWaalsContact CB-CE1 3.45Å; A86-H185 WeakPolarHBondContact CB-CE1 3.47Å; A86-H185 PolarHBondContact N-O 2.66Å; A86-H185 VanDerWaalsContact N-O 3.07Å
87	S	91.9	Very high	95.8	Very high	111 Å²	111	53 Å²	53	78%	0.776	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.2	178	53.2	0	0	0	0	113.2	F89	S87-F89 VanDerWaalsContact C-N 3.31Å; S87-F89 PolarHBondContact O-N 2.98Å
88	S	92	Very high	95.9	Very high	81 Å²	81	52.3 Å²	52.3	57%	0.566	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.2	175.1	54.1	0	0	0	0	114.2	A86	A86-S88 WeakPolarHBondContact CB-OG 3.49Å; A86-S88 PolarHBondContact O-N 2.84Å; A86-S88 VanDerWaalsContact O-N 3.17Å
89	F	94.8	Very high	96.1	Very high	37 Å²	37	48.9 Å²	48.9	16%	0.162	28%	0.278	C	S	.	.	S	Bend	trans	-66.7	146.2	175.2	-74.3	-69.6	0	0	0	111.7	R74 L85 A86 S87 T93 K133 G183 H185	R74-F89 PolarHBondContact NH1-O 2.94Å; L85-F89 HydrophobicContact CB-CD2 4.29Å; L85-F89 HydrophobicContact CD2-CD2 4.27Å; L85-F89 HydrophobicContact CD2-CE2 4.27Å; A86-F89 HydrophobicContact CB-CD2 3.9Å; A86-F89 HydrophobicContact CB-CE2 3.98Å; A86-F89 WeakPolarHBondContact O-CD2 3.38Å; A86-F89 PolarHBondContact O-N 3.3Å; S87-F89 VanDerWaalsContact C-N 3.31Å; S87-F89 PolarHBondContact O-N 2.98Å; F89-T93 HydrophobicContact CB-CG2 4.16Å; F89-T93 HydrophobicContact CG-CG2 4.46Å; F89-K133 HydrophobicContact CD1-CG 4.33Å; F89-K133 HydrophobicContact CE1-CD 4.41Å; F89-K133 HydrophobicContact CE1-CG 4.26Å; F89-G183 WeakPolarHBondContact CZ-O 3.33Å; F89-H185 AromaticContact CE2-CD2 3.77Å; F89-H185 AromaticContact CE2-NE2 3.75Å; F89-H185 AromaticContact CZ-CD2 3.54Å; F89-H185 AromaticContact CZ-NE2 3.67Å
90	S	94.5	Very high	96.2	Very high	64 Å²	64	39.5 Å²	39.5	45%	0.448	24%	0.238	S	C	.	.			trans	-54.3	154	178.3	179.3	0	0	0	0	112.3	R74 D92 T93	R74-S90 VanDerWaalsContact CD-O 3.31Å; R74-S90 WeakPolarHBondContact CD-O 3.36Å; S90-D92 PolarHBondContact O-N 2.9Å; S90-D92 PolarHBondContact OG-N 2.87Å; S90-T93 PolarHBondContact N-OG1 2.81Å; S90-T93 WeakPolarHBondContact O-CB 3.27Å; S90-T93 PolarHBondContact O-N 2.78Å; S90-T93 VanDerWaalsContact O-N 3.08Å; S90-T93 PolarHBondContact O-OG1 3.31Å; S90-T93 VanDerWaalsContact O-OG1 3.13Å
91	V	92.4	Very high	96.3	Very high	102 Å²	102	37.3 Å²	37.3	62%	0.618	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.6	170.1	-65.4	0	0	0	0	112	N73 T93	N73-V91 PolarHBondContact ND2-O 2.71Å; N73-V91 PolarHBondContact OD1-O 3.11Å; V91-T93 PolarHBondContact O-N 2.8Å
92	D	94.9	Very high	96.4	Very high	102 Å²	102	37.7 Å²	37.7	55%	0.545	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.4	177.8	-59.6	-41.6	0	0	0	113.2	S90	S90-D92 PolarHBondContact O-N 2.9Å; S90-D92 PolarHBondContact OG-N 2.87Å
93	T	98.1	Very high	96.5	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.043	21%	0.214	C	C	.	.			trans	-61.6	139.4	177.6	-66.8	0	0	0	0	111.2	R74 L85 F89 S90 V91 K133	R74-T93 WeakPolarHBondContact CB-O 3.46Å; R74-T93 PolarHBondContact N-O 2.88Å; L85-T93 HydrophobicContact CD1-CG2 3.59Å; F89-T93 HydrophobicContact CB-CG2 4.16Å; F89-T93 HydrophobicContact CG-CG2 4.46Å; S90-T93 PolarHBondContact N-OG1 2.81Å; S90-T93 WeakPolarHBondContact O-CB 3.27Å; S90-T93 PolarHBondContact O-N 2.78Å; S90-T93 VanDerWaalsContact O-N 3.08Å; S90-T93 PolarHBondContact O-OG1 3.31Å; S90-T93 VanDerWaalsContact O-OG1 3.13Å; V91-T93 PolarHBondContact O-N 2.8Å; T93-K133 HydrophobicContact CG2-CB 4Å; T93-K133 HydrophobicContact CG2-CG 3.54Å
94	Q	98.6	Very high	96.6	Very high	51 Å²	51	34.2 Å²	34.2	24%	0.238	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	161.2	-177	-64.9	176.1	-46.4	0	0	111.6	I71 K72 H131 C132 K133	I71-Q94 HydrophobicContact CG2-CB 4.2Å; K72-Q94 CarbonylContact O-C 3.48Å; K72-Q94 VanDerWaalsContact O-CA 3.24Å; K72-Q94 WeakPolarHBondContact O-CA 3.44Å; K72-Q94 WeakPolarHBondContact O-CB 3.38Å; Q94-H131 HydrophobicContact CB-CB 4.41Å; Q94-H131 HydrophobicContact CG-CB 4.14Å; Q94-H131 PolarHBondContact N-O 3.21Å; Q94-C132 HydrophobicContact CB-CB 4.38Å; Q94-C132 WeakPolarHBondContact O-CA 3.33Å; Q94-K133 PolarHBondContact O-N 3.03Å
95	V	98.7	Very high	96.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154	168.9	-64.7	0	0	0	0	109.5	I71 K72 I77 L85 A134 Y136	I71-V95 WeakPolarHBondContact CA-O 3.44Å; K72-V95 HydrophobicContact CG-CG2 4.08Å; K72-V95 PolarHBondContact N-O 3.01Å; K72-V95 PolarHBondContact O-N 2.93Å; I77-V95 HydrophobicContact CD1-CB 4.41Å; I77-V95 HydrophobicContact CD1-CG1 3.78Å; I77-V95 HydrophobicContact CD1-CG2 3.78Å; I77-V95 HydrophobicContact CG1-CG2 3.62Å; L85-V95 HydrophobicContact CD1-CG1 3.44Å; L85-V95 VanDerWaalsContact CD1-CG1 3.44Å; L85-V95 HydrophobicContact CG-CG1 4.15Å; V95-A134 CarbonylContact C-O 3.56Å; V95-A134 WeakPolarHBondContact CA-O 3.44Å; V95-A134 HydrophobicContact CG1-CB 4.14Å; V95-Y136 HydrophobicContact CB-CD1 4.28Å; V95-Y136 HydrophobicContact CB-CE1 4.3Å; V95-Y136 HydrophobicContact CG2-CD1 4.24Å; V95-Y136 HydrophobicContact CG2-CE1 3.75Å
96	A	98.8	Very high	96.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.9	168.2	0	0	0	0	0	109.4	E70 I71 I124 A134 I135 Y136	E70-A96 WeakPolarHBondContact O-CA 3.28Å; I71-A96 HydrophobicContact CG1-CB 4.31Å; A96-I124 HydrophobicContact CB-CD1 3.49Å; A96-I124 VanDerWaalsContact CB-CD1 3.49Å; A96-I124 HydrophobicContact CB-CG1 4.23Å; A96-A134 PolarHBondContact N-O 3.12Å; A96-I135 HydrophobicContact CB-CG1 4.26Å; A96-I135 HydrophobicContact CB-CG2 4.32Å; A96-I135 CarbonylContact O-C 3.53Å; A96-I135 VanDerWaalsContact O-CA 3.28Å; A96-I135 WeakPolarHBondContact O-CA 2.87Å; A96-Y136 PolarHBondContact O-N 2.98Å
97	Y	98.8	Very high	96.6	Very high	42 Å²	42	47.5 Å²	47.5	17%	0.165	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.1	172.3	-178.5	-130.7	0	0	0	109.4	A69 E70 L99 Y136 H138	A69-Y97 CarbonylContact C-O 3.5Å; A69-Y97 WeakPolarHBondContact CA-O 3.5Å; A69-Y97 WeakPolarHBondContact CB-O 3.46Å; E70-Y97 PolarHBondContact N-O 3.17Å; E70-Y97 PolarHBondContact O-N 3.38Å; Y97-L99 HydrophobicContact CD1-CD1 3.92Å; Y97-L99 HydrophobicContact CD1-CG 3.82Å; Y97-L99 HydrophobicContact CE1-CG 3.91Å; Y97-L99 WeakPolarHBondContact O-CD1 3.34Å; Y97-L99 PolarHBondContact O-N 3.2Å; Y97-Y136 WeakPolarHBondContact CA-O 3.1Å; Y97-Y136 VanDerWaalsContact CB-CE1 3.47Å; Y97-Y136 HydrophobicContact CD2-CD1 4.06Å; Y97-Y136 AromaticContact CD2-CD2 3.72Å; Y97-Y136 HydrophobicContact CD2-CD2 3.72Å; Y97-Y136 AromaticContact CD2-CE1 3.69Å; Y97-Y136 HydrophobicContact CD2-CE1 3.69Å; Y97-Y136 AromaticContact CD2-CE2 3.32Å; Y97-Y136 HydrophobicContact CD2-CE2 3.32Å; Y97-Y136 HydrophobicContact CD2-CG 4.08Å; Y97-Y136 AromaticContact CD2-CZ 3.29Å; Y97-Y136 WeakPolarHBondContact CD2-O 3.28Å; Y97-Y136 HydrophobicContact CE2-CD2 4.12Å; Y97-Y136 AromaticContact CE2-CE2 3.71Å; Y97-Y136 HydrophobicContact CE2-CE2 3.71Å; Y97-Y136 AromaticContact CG-CE1 3.91Å; Y97-Y136 HydrophobicContact CG-CE1 3.91Å; Y97-Y136 HydrophobicContact CG-CE2 4.17Å; Y97-Y136 AromaticContact CG-CZ 3.67Å; Y97-H138 AromaticContact CE2-CE1 3.78Å; Y97-H138 AromaticContact CE2-ND1 3.41Å; Y97-H138 WeakPolarHBondContact CE2-ND1 3.28Å; Y97-H138 AromaticContact CZ-ND1 3.55Å; Y97-H138 PolarHBondContact OH-ND1 2.96Å
98	I	98.9	Very high	96.7	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.6	170.6	-57.9	174.1	0	0	0	107.8	I67 L101 L117 L120 I135 Y136 L137 F155	I67-I98 HydrophobicContact CD1-CD1 4.29Å; I67-I98 HydrophobicContact CD1-CG2 4.44Å; I67-I98 HydrophobicContact CG1-CG2 4.17Å; I98-L101 HydrophobicContact CG2-CB 4.24Å; I98-L117 HydrophobicContact CD1-CD1 3.84Å; I98-L120 HydrophobicContact CD1-CD2 3.91Å; I98-L120 HydrophobicContact CG1-CD2 3.7Å; I98-I135 HydrophobicContact CD1-CG2 3.73Å; I98-I135 HydrophobicContact CG1-CG2 3.86Å; I98-Y136 PolarHBondContact N-O 3.31Å; I98-L137 HydrophobicContact CB-CB 4Å; I98-L137 HydrophobicContact CD1-CD2 4.03Å; I98-F155 HydrophobicContact CD1-CZ 4.47Å
99	L	98.1	Very high	96.9	Very high	31 Å²	31	53.4 Å²	53.4	16%	0.162	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-38.8	177.5	-68.6	85.3	0	0	0	111.1	W42 F52 V68 E70 Y97	W42-L99 HydrophobicContact CZ2-CB 4.34Å; F52-L99 HydrophobicContact CD1-CD1 4.14Å; F52-L99 HydrophobicContact CD1-CD2 4.38Å; F52-L99 HydrophobicContact CE1-CD1 4.07Å; F52-L99 HydrophobicContact CE1-CD2 3.7Å; F52-L99 HydrophobicContact CZ-CD2 4.33Å; V68-L99 HydrophobicContact CB-CB 4.42Å; V68-L99 HydrophobicContact CG1-CB 4.18Å; V68-L99 HydrophobicContact CG1-CD1 4.38Å; V68-L99 PolarHBondContact O-N 3.33Å; E70-L99 HydrophobicContact CB-CD1 3.93Å; Y97-L99 HydrophobicContact CD1-CD1 3.92Å; Y97-L99 HydrophobicContact CD1-CG 3.82Å; Y97-L99 HydrophobicContact CE1-CG 3.91Å; Y97-L99 WeakPolarHBondContact O-CD1 3.34Å; Y97-L99 PolarHBondContact O-N 3.2Å
100	S	97.7	Very high	96.9	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.028	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	136.6	-177.6	176.5	0	0	0	0	110.8	F34 M66 I67 V68	F34-S100 WeakPolarHBondContact CE2-OG 3.44Å; F34-S100 VanDerWaalsContact CZ-OG 3.31Å; F34-S100 WeakPolarHBondContact CZ-OG 3.4Å; M66-S100 WeakPolarHBondContact CE-OG 3.17Å; I67-S100 CarbonylContact C-O 3.6Å; I67-S100 WeakPolarHBondContact CA-O 3.22Å; V68-S100 PolarHBondContact N-O 3.27Å; V68-S100 PolarHBondContact O-N 3.27Å
101	L	98.6	Very high	96.9	Very high	26 Å²	26	52.8 Å²	52.8	14%	0.136	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	119.8	166.1	174	61.8	0	0	0	108.1	M66 I67 I98 L116 F149 Y150	M66-L101 WeakPolarHBondContact O-CA 3.44Å; I67-L101 HydrophobicContact CB-CD1 3.95Å; I67-L101 HydrophobicContact CD1-CD1 4.24Å; I67-L101 HydrophobicContact CG1-CB 4.5Å; I67-L101 HydrophobicContact CG1-CD1 4.19Å; I98-L101 HydrophobicContact CG2-CB 4.24Å; L101-L116 HydrophobicContact CD1-CB 4.02Å; L101-L116 HydrophobicContact CD1-CD1 3.99Å; L101-F149 HydrophobicContact CD2-CD1 4.45Å; L101-F149 HydrophobicContact CD2-CE1 3.64Å; L101-F149 HydrophobicContact CD2-CZ 4.08Å; L101-Y150 HydrophobicContact CD2-CE1 4Å; L101-Y150 WeakPolarHBondContact CD2-OH 3.37Å
102	G	98	Very high	97.2	Very high	8 Å²	8	48 Å²	48	8%	0.082	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.2	-177.4	0	0	0	0	0	112.2	G65 M66	G65-G102 CarbonylContact C-O 3.6Å; G65-G102 WeakPolarHBondContact CA-O 3.44Å; M66-G102 PolarHBondContact N-O 3.17Å; M66-G102 PolarHBondContact O-N 3.42Å
103	V	98.4	Very high	97.4	Very high	15 Å²	15	43.8 Å²	43.8	9%	0.091	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.5	175.3	-176.5	0	0	0	0	107.6	V64 K105 F107 R108 I112 L116	V64-V103 CarbonylContact O-C 3.57Å; V64-V103 WeakPolarHBondContact O-CA 3.14Å; V64-V103 WeakPolarHBondContact O-CG1 3.32Å; V103-K105 PolarHBondContact O-N 2.78Å; V103-F107 HydrophobicContact CG1-CB 3.92Å; V103-R108 HydrophobicContact CB-CG 4.17Å; V103-R108 HydrophobicContact CG1-CG 4.26Å; V103-R108 PolarHBondContact O-NE 3.37Å; V103-R108 PolarHBondContact O-NH2 2.97Å; V103-I112 HydrophobicContact CG1-CB 4.23Å; V103-I112 HydrophobicContact CG1-CD1 4.48Å; V103-I112 HydrophobicContact CG1-CG2 4.15Å; V103-I112 HydrophobicContact CG2-CB 4.4Å; V103-I112 HydrophobicContact CG2-CG2 3.99Å; V103-L116 HydrophobicContact CG2-CD1 4.37Å
104	V	97.6	Very high	97.4	Very high	26 Å²	26	45.1 Å²	45.1	16%	0.158	22%	0.221	C	C	.	.			trans	-50.4	135.5	172.5	171.1	0	0	0	0	109.5	L29 W33 V64 E106 F107 R108	L29-V104 HydrophobicContact CD2-CG2 3.54Å; W33-V104 HydrophobicContact CZ2-CG2 4.05Å; V64-V104 HydrophobicContact CB-CG2 4.46Å; V64-V104 WeakPolarHBondContact O-CB 3.37Å; V64-V104 WeakPolarHBondContact O-CG2 3.16Å; V64-V104 PolarHBondContact O-N 3.08Å; V104-E106 VanDerWaalsContact C-N 3.25Å; V104-E106 WeakPolarHBondContact CG1-OE2 3.39Å; V104-E106 PolarHBondContact O-N 3.14Å; V104-F107 HydrophobicContact CB-CD2 4.06Å; V104-F107 HydrophobicContact CG1-CD2 3.86Å; V104-F107 CarbonylContact O-C 3.48Å; V104-F107 WeakPolarHBondContact O-CA 3.46Å; V104-F107 PolarHBondContact O-N 3.41Å; V104-R108 PolarHBondContact O-N 2.93Å
105	K	95.5	Very high	97.4	Very high	152 Å²	152	45.5 Å²	45.5	66%	0.661	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-55.9	-41	-166	-176.1	-179	176.3	-176	0	112.7	V103 F107 R108	V103-K105 PolarHBondContact O-N 2.78Å; K105-F107 VanDerWaalsContact C-N 3.25Å; K105-F107 PolarHBondContact O-N 2.77Å; K105-R108 WeakPolarHBondContact O-CB 3.42Å; K105-R108 PolarHBondContact O-N 3.39Å
106	E	95.4	Very high	97.4	Very high	107 Å²	107	45.5 Å²	45.5	50%	0.5	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-66.5	-28	-179.3	-62.6	67.5	-147.2	0	0	111.9	V5 V104	V5-E106 HydrophobicContact CG2-CB 3.93Å; V104-E106 VanDerWaalsContact C-N 3.25Å; V104-E106 WeakPolarHBondContact CG1-OE2 3.39Å; V104-E106 PolarHBondContact O-N 3.14Å
107	F	96.3	Very high	97.4	Very high	26 Å²	26	45.5 Å²	45.5	11%	0.114	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-95.5	-3	-179.9	-72.8	-91.5	0	0	0	113.1	V5 A9 Y59 V64 V103 V104 K105 H110 I112	V5-F107 HydrophobicContact CG1-CD1 3.79Å; V5-F107 HydrophobicContact CG1-CE1 3.73Å; V5-F107 HydrophobicContact CG1-CG 4.44Å; V5-F107 HydrophobicContact CG1-CZ 4.34Å; V5-F107 HydrophobicContact CG2-CD1 4.33Å; V5-F107 HydrophobicContact CG2-CD2 4.17Å; V5-F107 HydrophobicContact CG2-CE1 4.1Å; V5-F107 HydrophobicContact CG2-CE2 3.93Å; V5-F107 HydrophobicContact CG2-CG 4.37Å; V5-F107 HydrophobicContact CG2-CZ 3.88Å; A9-F107 HydrophobicContact CB-CD1 4.47Å; A9-F107 HydrophobicContact CB-CE1 4.37Å; Y59-F107 AromaticContact CD1-CE1 3.65Å; Y59-F107 HydrophobicContact CD1-CE1 3.65Å; Y59-F107 AromaticContact CD1-CZ 3.57Å; Y59-F107 HydrophobicContact CD1-CZ 3.57Å; Y59-F107 HydrophobicContact CD2-CE1 4.14Å; Y59-F107 HydrophobicContact CE1-CE1 4.21Å; Y59-F107 HydrophobicContact CE1-CZ 4.14Å; Y59-F107 AromaticContact CG-CE1 3.63Å; Y59-F107 HydrophobicContact CG-CE1 3.63Å; Y59-F107 AromaticContact CG-CZ 4Å; Y59-F107 HydrophobicContact CG-CZ 4Å; V64-F107 HydrophobicContact CB-CB 4.46Å; V64-F107 HydrophobicContact CB-CD1 4.28Å; V64-F107 HydrophobicContact CB-CD2 4.07Å; V64-F107 HydrophobicContact CB-CE2 4.4Å; V64-F107 HydrophobicContact CB-CG 4.01Å; V64-F107 HydrophobicContact CG1-CD1 4.29Å; V64-F107 HydrophobicContact CG1-CD2 3.88Å; V64-F107 HydrophobicContact CG1-CE1 4.13Å; V64-F107 HydrophobicContact CG1-CE2 3.7Å; V64-F107 HydrophobicContact CG1-CG 4.17Å; V64-F107 HydrophobicContact CG1-CZ 3.84Å; V64-F107 HydrophobicContact CG2-CD1 4.36Å; V64-F107 HydrophobicContact CG2-CG 4.48Å; V103-F107 HydrophobicContact CG1-CB 3.92Å; V104-F107 HydrophobicContact CB-CD2 4.06Å; V104-F107 HydrophobicContact CG1-CD2 3.86Å; V104-F107 CarbonylContact O-C 3.48Å; V104-F107 WeakPolarHBondContact O-CA 3.46Å; V104-F107 PolarHBondContact O-N 3.41Å; K105-F107 VanDerWaalsContact C-N 3.25Å; K105-F107 PolarHBondContact O-N 2.77Å; F107-H110 PolarHBondContact O-ND1 2.89Å; F107-I112 HydrophobicContact CB-CD1 3.83Å; F107-I112 HydrophobicContact CD1-CD1 4Å; F107-I112 HydrophobicContact CG-CD1 4.36Å
108	R	95.6	Very high	97.4	Very high	102 Å²	102	47.1 Å²	47.1	39%	0.385	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	157	176	-67.4	177	-171.2	172.3	2.7	110.8	V103 V104 K105 H110	V103-R108 HydrophobicContact CB-CG 4.17Å; V103-R108 HydrophobicContact CG1-CG 4.26Å; V103-R108 PolarHBondContact O-NE 3.37Å; V103-R108 PolarHBondContact O-NH2 2.97Å; V104-R108 PolarHBondContact O-N 2.93Å; K105-R108 WeakPolarHBondContact O-CB 3.42Å; K105-R108 PolarHBondContact O-N 3.39Å; R108-H110 PolarHBondContact O-N 2.96Å; R108-H110 PolarHBondContact O-ND1 3.45Å
109	K	94.6	Very high	97.3	Very high	214 Å²	214	47.8 Å²	47.8	93%	0.93	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	13.9	-178.4	-53.3	-176	176.9	-176.5	0	115.3
110	H	94.8	Very high	97.4	Very high	59 Å²	59	46.3 Å²	46.3	27%	0.273	23%	0.231	S	C	.	.	S	Bend	trans	-103.9	18.7	172.3	-62.9	85.1	0	0	0	113	F107 R108 I112	F107-H110 PolarHBondContact O-ND1 2.89Å; R108-H110 PolarHBondContact O-N 2.96Å; R108-H110 PolarHBondContact O-ND1 3.45Å; H110-I112 VanDerWaalsContact C-N 3.31Å; H110-I112 PolarHBondContact O-N 3.22Å
111	G	96.2	Very high	97.4	Very high	29 Å²	29	48.2 Å²	48.2	30%	0.299	24%	0.238	S	C	.	.	S	Bend	trans	81.6	-7.4	177.2	0	0	0	0	0	116.3	G113 S114 L115	G111-G113 PolarHBondContact O-N 3.06Å; G111-S114 WeakPolarHBondContact O-CA 3.4Å; G111-S114 VanDerWaalsContact O-CB 3.27Å; G111-S114 WeakPolarHBondContact O-CB 3.11Å; G111-S114 PolarHBondContact O-N 3.34Å; G111-L115 PolarHBondContact O-N 3.36Å
112	I	98	Very high	97.4	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-43.2	-178.5	-66.2	163.2	0	0	0	112.5	L10 V13 A57 V64 V103 F107 H110 S114 L115 L116	L10-I112 HydrophobicContact CD1-CG1 4.02Å; V13-I112 HydrophobicContact CG2-CD1 4.02Å; V13-I112 HydrophobicContact CG2-CG1 4.15Å; A57-I112 HydrophobicContact CB-CG2 3.69Å; V64-I112 HydrophobicContact CG2-CD1 4.24Å; V103-I112 HydrophobicContact CG1-CB 4.23Å; V103-I112 HydrophobicContact CG1-CD1 4.48Å; V103-I112 HydrophobicContact CG1-CG2 4.15Å; V103-I112 HydrophobicContact CG2-CB 4.4Å; V103-I112 HydrophobicContact CG2-CG2 3.99Å; F107-I112 HydrophobicContact CB-CD1 3.83Å; F107-I112 HydrophobicContact CD1-CD1 4Å; F107-I112 HydrophobicContact CG-CD1 4.36Å; H110-I112 VanDerWaalsContact C-N 3.31Å; H110-I112 PolarHBondContact O-N 3.22Å; I112-S114 VanDerWaalsContact C-N 3.28Å; I112-S114 PolarHBondContact O-N 3.42Å; I112-L115 WeakPolarHBondContact O-CB 3.39Å; I112-L115 PolarHBondContact O-N 3.41Å; I112-L116 HydrophobicContact CG2-CD1 4.03Å; I112-L116 HydrophobicContact CG2-CG 4.45Å; I112-L116 WeakPolarHBondContact O-CG 3.44Å; I112-L116 PolarHBondContact O-N 3.08Å
113	G	98.2	Very high	97.4	Very high	13 Å²	13	54.1 Å²	54.1	13%	0.134	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-37.4	176	0	0	0	0	0	112.5	G111 L117 F149	G111-G113 PolarHBondContact O-N 3.06Å; G113-L117 PolarHBondContact O-N 2.88Å; G113-L117 VanDerWaalsContact O-N 3.17Å; G113-F149 WeakPolarHBondContact O-CZ 3.43Å
114	S	98.3	Very high	97.4	Very high	34 Å²	34	53.4 Å²	53.4	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-49	172.9	-46.9	0	0	0	0	110.7	G111 I112 L116 L117 E118 R153	G111-S114 WeakPolarHBondContact O-CA 3.4Å; G111-S114 VanDerWaalsContact O-CB 3.27Å; G111-S114 WeakPolarHBondContact O-CB 3.11Å; G111-S114 PolarHBondContact O-N 3.34Å; I112-S114 VanDerWaalsContact C-N 3.28Å; I112-S114 PolarHBondContact O-N 3.42Å; S114-L116 VanDerWaalsContact C-N 3.28Å; S114-L116 PolarHBondContact O-N 3.43Å; S114-L117 PolarHBondContact O-N 3.26Å; S114-L117 VanDerWaalsContact O-N 3.11Å; S114-E118 WeakPolarHBondContact O-CG 3.44Å; S114-E118 PolarHBondContact O-N 2.62Å; S114-R153 PolarHBondContact OG-NH2 2.89Å
115	L	98.4	Very high	97.4	Very high	59 Å²	59	54.7 Å²	54.7	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-55.2	-44.9	-179.6	176.5	64	0	0	0	111.5	L10 V13 L15 G111 I112 S119	L10-L115 HydrophobicContact CD1-CD2 4.07Å; V13-L115 HydrophobicContact CG1-CD2 4.07Å; L15-L115 HydrophobicContact CD1-CD1 4.21Å; L15-L115 HydrophobicContact CD1-CD2 4.27Å; L15-L115 HydrophobicContact CD1-CG 4.11Å; L15-L115 HydrophobicContact CD2-CD2 4.05Å; L15-L115 HydrophobicContact CD2-CG 4.33Å; L15-L115 HydrophobicContact CG-CD2 4.33Å; G111-L115 PolarHBondContact O-N 3.36Å; I112-L115 WeakPolarHBondContact O-CB 3.39Å; I112-L115 PolarHBondContact O-N 3.41Å; L115-S119 WeakPolarHBondContact O-CB 3.21Å; L115-S119 PolarHBondContact O-N 3.07Å; L115-S119 PolarHBondContact O-OG 3.04Å
116	L	98.8	Very high	97.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-44	177.3	-71.9	167.2	0	0	0	112.3	L15 L55 A57 I67 L101 V103 I112 S114 S119 L120	L15-L116 HydrophobicContact CD2-CD2 4.19Å; L55-L116 HydrophobicContact CD2-CD2 4.2Å; L55-L116 HydrophobicContact CG-CD2 4.46Å; A57-L116 HydrophobicContact CB-CD1 4.38Å; A57-L116 HydrophobicContact CB-CD2 4.04Å; A57-L116 HydrophobicContact CB-CG 4.33Å; I67-L116 HydrophobicContact CB-CB 4.08Å; I67-L116 HydrophobicContact CG2-CB 3.98Å; I67-L116 HydrophobicContact CG2-CD2 4.07Å; L101-L116 HydrophobicContact CD1-CB 4.02Å; L101-L116 HydrophobicContact CD1-CD1 3.99Å; V103-L116 HydrophobicContact CG2-CD1 4.37Å; I112-L116 HydrophobicContact CG2-CD1 4.03Å; I112-L116 HydrophobicContact CG2-CG 4.45Å; I112-L116 WeakPolarHBondContact O-CG 3.44Å; I112-L116 PolarHBondContact O-N 3.08Å; S114-L116 VanDerWaalsContact C-N 3.28Å; S114-L116 PolarHBondContact O-N 3.43Å; L116-S119 PolarHBondContact O-N 2.82Å; L116-L120 PolarHBondContact O-N 3.29Å; L116-L120 VanDerWaalsContact O-N 3.1Å
117	L	98.8	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-42.5	178.6	-177.8	68.4	0	0	0	112.3	I67 I98 G113 S114 S119 L120 K121 F149 R153 F155	I67-L117 HydrophobicContact CD1-CD1 4.35Å; I98-L117 HydrophobicContact CD1-CD1 3.84Å; G113-L117 PolarHBondContact O-N 2.88Å; G113-L117 VanDerWaalsContact O-N 3.17Å; S114-L117 PolarHBondContact O-N 3.26Å; S114-L117 VanDerWaalsContact O-N 3.11Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-L120 WeakPolarHBondContact O-CB 3.36Å; L117-L120 PolarHBondContact O-N 3.29Å; L117-K121 PolarHBondContact O-N 3.16Å; L117-K121 VanDerWaalsContact O-N 3.07Å; L117-F149 HydrophobicContact CD2-CE1 4.3Å; L117-F149 HydrophobicContact CD2-CZ 4.46Å; L117-R153 HydrophobicContact CD2-CB 4.32Å; L117-R153 HydrophobicContact CD2-CG 4.5Å; L117-F155 HydrophobicContact CD1-CE2 4.31Å; L117-F155 HydrophobicContact CD1-CZ 4.21Å; L117-F155 HydrophobicContact CD2-CE2 4.04Å
118	E	98.6	Very high	97.4	Very high	77 Å²	77	50.9 Å²	50.9	36%	0.36	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-39.4	175.9	-64.3	-49.6	125.5	0	0	110.8	S114 L120 K121 D122	S114-E118 WeakPolarHBondContact O-CG 3.44Å; S114-E118 PolarHBondContact O-N 2.62Å; E118-L120 PolarHBondContact O-N 3.17Å; E118-K121 WeakPolarHBondContact O-CA 3.48Å; E118-K121 WeakPolarHBondContact O-CB 3.41Å; E118-K121 PolarHBondContact O-N 2.92Å; E118-K121 IonicContact OE1-NZ 2.98Å; E118-K121 PolarHBondContact OE1-NZ 2.91Å; E118-K121 WeakPolarHBondContact OE2-CD 3.27Å; E118-K121 IonicContact OE2-NZ 2.72Å; E118-D122 PolarHBondContact O-N 2.86Å
119	S	98.7	Very high	97.2	Very high	19 Å²	19	51.2 Å²	51.2	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-35.6	173.9	-57.1	0	0	0	0	112.6	L15 L55 L115 L116 L117 H123	L15-S119 WeakPolarHBondContact CD1-OG 3.44Å; L55-S119 VanDerWaalsContact CD2-CB 3.5Å; L115-S119 WeakPolarHBondContact O-CB 3.21Å; L115-S119 PolarHBondContact O-N 3.07Å; L115-S119 PolarHBondContact O-OG 3.04Å; L116-S119 PolarHBondContact O-N 2.82Å; L117-S119 VanDerWaalsContact C-N 3.33Å; S119-H123 WeakPolarHBondContact O-CB 3.35Å; S119-H123 PolarHBondContact O-N 3.45Å
120	L	98.8	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-43.8	172.6	171.1	63.4	0	0	0	111.6	F53 I67 A69 I98 L116 L117 E118 D122 H123 I124 I135	F53-L120 HydrophobicContact CD1-CB 4.36Å; F53-L120 HydrophobicContact CD1-CD1 3.71Å; F53-L120 HydrophobicContact CE1-CB 4.07Å; F53-L120 HydrophobicContact CE1-CD1 4.21Å; F53-L120 HydrophobicContact CG-CD1 4.35Å; I67-L120 HydrophobicContact CD1-CB 3.97Å; I67-L120 HydrophobicContact CD1-CD2 3.67Å; I67-L120 HydrophobicContact CD1-CG 4.45Å; I67-L120 HydrophobicContact CG1-CD2 4.46Å; A69-L120 HydrophobicContact CB-CD1 3.62Å; A69-L120 HydrophobicContact CB-CD2 3.85Å; A69-L120 HydrophobicContact CB-CG 4.42Å; I98-L120 HydrophobicContact CD1-CD2 3.91Å; I98-L120 HydrophobicContact CG1-CD2 3.7Å; L116-L120 PolarHBondContact O-N 3.29Å; L116-L120 VanDerWaalsContact O-N 3.1Å; L117-L120 WeakPolarHBondContact O-CB 3.36Å; L117-L120 PolarHBondContact O-N 3.29Å; E118-L120 PolarHBondContact O-N 3.17Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.49Å; L120-H123 PolarHBondContact O-N 2.82Å; L120-I124 HydrophobicContact CD1-CD1 3.91Å; L120-I124 HydrophobicContact CD1-CG1 4.14Å; L120-I124 HydrophobicContact CG-CD1 3.89Å; L120-I124 VanDerWaalsContact O-CG1 3.29Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 2.88Å; L120-I135 HydrophobicContact CD2-CG2 4.37Å
121	K	98.6	Very high	97.3	Very high	44 Å²	44	48.7 Å²	48.7	19%	0.191	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-40.4	176.8	-69.1	173.4	179.8	172.5	0	111.8	L117 E118 I124 S125 I135	L117-K121 PolarHBondContact O-N 3.16Å; L117-K121 VanDerWaalsContact O-N 3.07Å; E118-K121 WeakPolarHBondContact O-CA 3.48Å; E118-K121 WeakPolarHBondContact O-CB 3.41Å; E118-K121 PolarHBondContact O-N 2.92Å; E118-K121 IonicContact OE1-NZ 2.98Å; E118-K121 PolarHBondContact OE1-NZ 2.91Å; E118-K121 WeakPolarHBondContact OE2-CD 3.27Å; E118-K121 IonicContact OE2-NZ 2.72Å; K121-I124 PolarHBondContact O-N 2.9Å; K121-S125 WeakPolarHBondContact O-CB 3.34Å; K121-S125 PolarHBondContact O-N 2.89Å; K121-S125 PolarHBondContact O-OG 2.86Å; K121-I135 HydrophobicContact CG-CD1 3.92Å
122	D	98.5	Very high	97.4	Very high	99 Å²	99	47.3 Å²	47.3	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-42.7	176	-69.2	-18.3	0	0	0	111.2	E118 L120 I124 S125 T126	E118-D122 PolarHBondContact O-N 2.86Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 3.49Å; D122-I124 PolarHBondContact O-N 3Å; D122-S125 PolarHBondContact O-N 3.46Å; D122-T126 PolarHBondContact O-N 3.07Å; D122-T126 PolarHBondContact O-OG1 3.23Å
123	H	98.4	Very high	97.4	Very high	59 Å²	59	48.8 Å²	48.8	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-44.7	174.8	-180	69.4	0	0	0	111.9	F53 S119 L120 T126 T127	F53-H123 HydrophobicContact CD2-CB 3.98Å; F53-H123 AromaticContact CD2-CD2 3.33Å; F53-H123 WeakPolarHBondContact CD2-CD2 3.43Å; F53-H123 AromaticContact CD2-CE1 3.73Å; F53-H123 AromaticContact CD2-CG 3.37Å; F53-H123 AromaticContact CD2-ND1 3.63Å; F53-H123 AromaticContact CD2-NE2 3.56Å; F53-H123 HydrophobicContact CE1-CB 4.42Å; F53-H123 HydrophobicContact CE2-CB 3.61Å; F53-H123 AromaticContact CE2-CD2 3.91Å; F53-H123 AromaticContact CE2-CG 3.44Å; F53-H123 VanDerWaalsContact CE2-CG 3.44Å; F53-H123 AromaticContact CE2-ND1 3.68Å; F53-H123 AromaticContact CG-CD2 3.63Å; F53-H123 HydrophobicContact CZ-CB 3.83Å; S119-H123 WeakPolarHBondContact O-CB 3.35Å; S119-H123 PolarHBondContact O-N 3.45Å; L120-H123 PolarHBondContact O-N 2.82Å; H123-T126 PolarHBondContact O-N 2.86Å; H123-T127 VanDerWaalsContact CE1-CG2 3.48Å; H123-T127 WeakPolarHBondContact CE1-CG2 3.42Å; H123-T127 WeakPolarHBondContact O-CB 3.36Å; H123-T127 WeakPolarHBondContact O-CG2 3.43Å; H123-T127 PolarHBondContact O-N 2.79Å; H123-T127 PolarHBondContact O-OG1 3.11Å
124	I	98.3	Very high	97.4	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-44	175.9	-68	162.8	0	0	0	110.6	I71 A96 L120 K121 D122 T126 T127 A128 Q129 C132 I135 I181	I71-I124 HydrophobicContact CD1-CG1 3.88Å; I71-I124 HydrophobicContact CG1-CG1 4.31Å; A96-I124 HydrophobicContact CB-CD1 3.49Å; A96-I124 VanDerWaalsContact CB-CD1 3.49Å; A96-I124 HydrophobicContact CB-CG1 4.23Å; L120-I124 HydrophobicContact CD1-CD1 3.91Å; L120-I124 HydrophobicContact CD1-CG1 4.14Å; L120-I124 HydrophobicContact CG-CD1 3.89Å; L120-I124 VanDerWaalsContact O-CG1 3.29Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 2.88Å; K121-I124 PolarHBondContact O-N 2.9Å; D122-I124 PolarHBondContact O-N 3Å; I124-T126 PolarHBondContact O-N 2.88Å; I124-T127 PolarHBondContact O-N 2.81Å; I124-A128 CarbonylContact O-C 3.58Å; I124-A128 WeakPolarHBondContact O-CA 3.46Å; I124-A128 PolarHBondContact O-N 3.04Å; I124-Q129 PolarHBondContact O-N 2.85Å; I124-Q129 VanDerWaalsContact O-N 3.16Å; I124-C132 HydrophobicContact CG2-CB 3.63Å; I124-I135 HydrophobicContact CD1-CD1 3.61Å; I124-I135 HydrophobicContact CD1-CG1 3.86Å; I124-I181 HydrophobicContact CG2-CD1 3.78Å
125	S	97.3	Very high	97.5	Very high	52 Å²	52	46.5 Å²	46.5	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-28.2	177.3	-56.3	0	0	0	0	112.1	K121 D122 Q129	K121-S125 WeakPolarHBondContact O-CB 3.34Å; K121-S125 PolarHBondContact O-N 2.89Å; K121-S125 PolarHBondContact O-OG 2.86Å; D122-S125 PolarHBondContact O-N 3.46Å; S125-Q129 WeakPolarHBondContact O-CB 3.19Å; S125-Q129 PolarHBondContact O-OE1 3.42Å
126	T	96.8	Very high	97.5	Very high	120 Å²	120	43.8 Å²	43.8	74%	0.736	23%	0.233	S	C	*	.	H	α-helix	trans	-84.7	-34.4	178	-54.1	0	0	0	0	112.6	D122 H123 I124	D122-T126 PolarHBondContact O-N 3.07Å; D122-T126 PolarHBondContact O-OG1 3.23Å; H123-T126 PolarHBondContact O-N 2.86Å; I124-T126 PolarHBondContact O-N 2.88Å
127	T	95.8	Very high	97.5	Very high	81 Å²	81	43.9 Å²	43.9	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-106.7	-22.6	-167.4	57.3	0	0	0	0	114.7	H123 I124	H123-T127 VanDerWaalsContact CE1-CG2 3.48Å; H123-T127 WeakPolarHBondContact CE1-CG2 3.42Å; H123-T127 WeakPolarHBondContact O-CB 3.36Å; H123-T127 WeakPolarHBondContact O-CG2 3.43Å; H123-T127 PolarHBondContact O-N 2.79Å; H123-T127 PolarHBondContact O-OG1 3.11Å; I124-T127 PolarHBondContact O-N 2.81Å
128	A	94.1	Very high	97.5	Very high	5 Å²	5	45 Å²	45	4%	0.041	24%	0.239	C	C	.	.	S	Bend	trans	-151.5	24.6	-168.1	0	0	0	0	0	113.4	I71 I124 D130 H131 C132	I71-A128 HydrophobicContact CD1-CB 4.3Å; I71-A128 HydrophobicContact CG2-CB 4.15Å; I124-A128 CarbonylContact O-C 3.58Å; I124-A128 WeakPolarHBondContact O-CA 3.46Å; I124-A128 PolarHBondContact O-N 3.04Å; A128-D130 VanDerWaalsContact C-N 3.3Å; A128-D130 PolarHBondContact O-N 2.69Å; A128-H131 PolarHBondContact O-N 2.91Å; A128-H131 VanDerWaalsContact O-N 3.13Å; A128-C132 HydrophobicContact CB-CB 3.95Å; A128-C132 VanDerWaalsContact O-CB 3.29Å; A128-C132 WeakPolarHBondContact O-CB 3.34Å; A128-C132 PolarHBondContact O-N 3.11Å
129	Q	92.2	Very high	97.5	Very high	109 Å²	109	41.7 Å²	41.7	51%	0.509	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-45.1	-174	-171.2	172.3	-20	0	0	113.6	I124 S125 H131 N182	I124-Q129 PolarHBondContact O-N 2.85Å; I124-Q129 VanDerWaalsContact O-N 3.16Å; S125-Q129 WeakPolarHBondContact O-CB 3.19Å; S125-Q129 PolarHBondContact O-OE1 3.42Å; Q129-H131 VanDerWaalsContact C-N 3.33Å; Q129-H131 PolarHBondContact O-N 3.1Å; Q129-N182 VanDerWaalsContact O-CG 3.3Å; Q129-N182 PolarHBondContact O-ND2 3.31Å
130	D	93.6	Very high	97.4	Very high	124 Å²	124	41.7 Å²	41.7	66%	0.663	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-28.2	-175	-63.8	-33.4	0	0	0	112.6	A128 K133	A128-D130 VanDerWaalsContact C-N 3.3Å; A128-D130 PolarHBondContact O-N 2.69Å; D130-K133 WeakPolarHBondContact O-CE 3.28Å; D130-K133 PolarHBondContact O-NZ 3.33Å
131	H	96.9	Very high	97.4	Very high	96 Å²	96	43.2 Å²	43.2	44%	0.444	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-30.4	-168.7	-59.1	-62.8	0	0	0	114.1	Q94 A128 Q129	Q94-H131 HydrophobicContact CB-CB 4.41Å; Q94-H131 HydrophobicContact CG-CB 4.14Å; Q94-H131 PolarHBondContact N-O 3.21Å; A128-H131 PolarHBondContact O-N 2.91Å; A128-H131 VanDerWaalsContact O-N 3.13Å; Q129-H131 VanDerWaalsContact C-N 3.33Å; Q129-H131 PolarHBondContact O-N 3.1Å
132	C	98.3	Very high	97.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.3	-176.8	-165.5	0	0	0	0	110.9	Q94 I124 A128 I181 N182	Q94-C132 HydrophobicContact CB-CB 4.38Å; Q94-C132 WeakPolarHBondContact O-CA 3.33Å; I124-C132 HydrophobicContact CG2-CB 3.63Å; A128-C132 HydrophobicContact CB-CB 3.95Å; A128-C132 VanDerWaalsContact O-CB 3.29Å; A128-C132 WeakPolarHBondContact O-CB 3.34Å; A128-C132 PolarHBondContact O-N 3.11Å; C132-I181 HydrophobicContact CB-CD1 4.43Å; C132-N182 WeakPolarHBondContact O-CB 3.33Å; C132-N182 PolarHBondContact O-ND2 2.77Å
133	K	98.5	Very high	97.4	Very high	32 Å²	32	44.4 Å²	44.4	14%	0.139	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-12.4	-171.4	-60.6	-56.3	-178.8	-165.1	0	114.6	L85 F89 T93 Q94 D130 I181 N182 G184	L85-K133 HydrophobicContact CD1-CB 4.3Å; L85-K133 HydrophobicContact CD2-CB 3.77Å; F89-K133 HydrophobicContact CD1-CG 4.33Å; F89-K133 HydrophobicContact CE1-CD 4.41Å; F89-K133 HydrophobicContact CE1-CG 4.26Å; T93-K133 HydrophobicContact CG2-CB 4Å; T93-K133 HydrophobicContact CG2-CG 3.54Å; Q94-K133 PolarHBondContact O-N 3.03Å; D130-K133 WeakPolarHBondContact O-CE 3.28Å; D130-K133 PolarHBondContact O-NZ 3.33Å; K133-I181 CarbonylContact C-O 3.59Å; K133-I181 WeakPolarHBondContact CA-O 3.43Å; K133-I181 PolarHBondContact O-N 3.43Å; K133-N182 HydrophobicContact CD-CB 4.08Å; K133-N182 WeakPolarHBondContact CD-O 3.49Å; K133-N182 WeakPolarHBondContact CE-O 3.34Å; K133-N182 PolarHBondContact NZ-O 2.93Å; K133-G184 WeakPolarHBondContact O-CA 3.26Å
134	A	98.7	Very high	97.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148.2	176.9	0	0	0	0	0	111.5	I84 L85 V95 A96 V178 L179 Y180	I84-A134 HydrophobicContact CG2-CB 3.99Å; L85-A134 HydrophobicContact CD2-CB 4.17Å; V95-A134 CarbonylContact C-O 3.56Å; V95-A134 WeakPolarHBondContact CA-O 3.44Å; V95-A134 HydrophobicContact CG1-CB 4.14Å; A96-A134 PolarHBondContact N-O 3.12Å; A134-V178 HydrophobicContact CB-CG1 4.06Å; A134-L179 CarbonylContact C-O 3.35Å; A134-L179 WeakPolarHBondContact CA-O 3.44Å; A134-Y180 HydrophobicContact CB-CD1 4.02Å; A134-Y180 HydrophobicContact CB-CE1 4.23Å
135	I	98.9	Very high	97.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.9	163.9	-49.3	-178	0	0	0	106.7	A96 I98 L120 K121 I124 F155 V178 L179 I181	A96-I135 HydrophobicContact CB-CG1 4.26Å; A96-I135 HydrophobicContact CB-CG2 4.32Å; A96-I135 CarbonylContact O-C 3.53Å; A96-I135 VanDerWaalsContact O-CA 3.28Å; A96-I135 WeakPolarHBondContact O-CA 2.87Å; I98-I135 HydrophobicContact CD1-CG2 3.73Å; I98-I135 HydrophobicContact CG1-CG2 3.86Å; L120-I135 HydrophobicContact CD2-CG2 4.37Å; K121-I135 HydrophobicContact CG-CD1 3.92Å; I124-I135 HydrophobicContact CD1-CD1 3.61Å; I124-I135 HydrophobicContact CD1-CG1 3.86Å; I135-F155 HydrophobicContact CB-CE1 4.23Å; I135-F155 HydrophobicContact CB-CZ 4.19Å; I135-F155 HydrophobicContact CG2-CE1 4.12Å; I135-F155 HydrophobicContact CG2-CZ 3.99Å; I135-V178 CarbonylContact O-C 3.29Å; I135-V178 WeakPolarHBondContact O-CA 3.12Å; I135-L179 HydrophobicContact CB-CB 4.45Å; I135-L179 HydrophobicContact CD1-CD2 4.46Å; I135-L179 PolarHBondContact N-O 3.13Å; I135-L179 PolarHBondContact O-N 2.91Å; I135-I181 HydrophobicContact CD1-CD1 4.41Å; I135-I181 HydrophobicContact CG1-CD1 4.03Å
136	Y	98.9	Very high	97.4	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	158.1	-179.7	82.4	-73.9	0	0	0	112.6	K72 D81 I84 V95 A96 Y97 I98 T176 Y177	K72-Y136 WeakPolarHBondContact CE-OH 3.35Å; K72-Y136 PolarHBondContact NZ-OH 3Å; D81-Y136 HydrophobicContact CB-CE2 4.45Å; D81-Y136 WeakPolarHBondContact OD2-CE2 3.5Å; I84-Y136 HydrophobicContact CD1-CD1 4.25Å; I84-Y136 HydrophobicContact CD1-CD2 3.44Å; I84-Y136 VanDerWaalsContact CD1-CD2 3.44Å; I84-Y136 HydrophobicContact CD1-CE2 4.07Å; I84-Y136 HydrophobicContact CD1-CG 3.54Å; V95-Y136 HydrophobicContact CB-CD1 4.28Å; V95-Y136 HydrophobicContact CB-CE1 4.3Å; V95-Y136 HydrophobicContact CG2-CD1 4.24Å; V95-Y136 HydrophobicContact CG2-CE1 3.75Å; A96-Y136 PolarHBondContact O-N 2.98Å; Y97-Y136 WeakPolarHBondContact CA-O 3.1Å; Y97-Y136 VanDerWaalsContact CB-CE1 3.47Å; Y97-Y136 HydrophobicContact CD2-CD1 4.06Å; Y97-Y136 AromaticContact CD2-CD2 3.72Å; Y97-Y136 HydrophobicContact CD2-CD2 3.72Å; Y97-Y136 AromaticContact CD2-CE1 3.69Å; Y97-Y136 HydrophobicContact CD2-CE1 3.69Å; Y97-Y136 AromaticContact CD2-CE2 3.32Å; Y97-Y136 HydrophobicContact CD2-CE2 3.32Å; Y97-Y136 HydrophobicContact CD2-CG 4.08Å; Y97-Y136 AromaticContact CD2-CZ 3.29Å; Y97-Y136 WeakPolarHBondContact CD2-O 3.28Å; Y97-Y136 HydrophobicContact CE2-CD2 4.12Å; Y97-Y136 AromaticContact CE2-CE2 3.71Å; Y97-Y136 HydrophobicContact CE2-CE2 3.71Å; Y97-Y136 AromaticContact CG-CE1 3.91Å; Y97-Y136 HydrophobicContact CG-CE1 3.91Å; Y97-Y136 HydrophobicContact CG-CE2 4.17Å; Y97-Y136 AromaticContact CG-CZ 3.67Å; I98-Y136 PolarHBondContact N-O 3.31Å; Y136-T176 HydrophobicContact CD2-CG2 4.33Å; Y136-Y177 CarbonylContact C-O 3.31Å; Y136-Y177 WeakPolarHBondContact CA-O 3.43Å
137	L	98.8	Very high	97.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	166.2	-176.6	67.3	95.7	0	0	0	111.6	I98 V139 Y150 F155 T176 Y177	I98-L137 HydrophobicContact CB-CB 4Å; I98-L137 HydrophobicContact CD1-CD2 4.03Å; L137-V139 HydrophobicContact CD1-CB 4.19Å; L137-Y150 HydrophobicContact CD1-CD2 3.84Å; L137-Y150 HydrophobicContact CD1-CE2 3.52Å; L137-Y150 HydrophobicContact CD1-CG 4.48Å; L137-Y150 HydrophobicContact CD2-CD1 3.54Å; L137-Y150 HydrophobicContact CD2-CD2 4.03Å; L137-Y150 HydrophobicContact CD2-CE1 3.22Å; L137-Y150 HydrophobicContact CD2-CE2 3.75Å; L137-Y150 HydrophobicContact CD2-CG 3.95Å; L137-Y150 HydrophobicContact CG-CE2 4.31Å; L137-F155 HydrophobicContact CD2-CD1 3.99Å; L137-F155 HydrophobicContact CD2-CE1 3.76Å; L137-F155 HydrophobicContact CD2-CZ 4.4Å; L137-T176 WeakPolarHBondContact O-CA 3.42Å; L137-Y177 PolarHBondContact N-O 3.38Å; L137-Y177 PolarHBondContact O-N 3.46Å
138	H	98.6	Very high	97.6	Very high	23 Å²	23	44.2 Å²	44.2	11%	0.106	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.4	171.7	-60.7	105.8	0	0	0	111.4	D81 Y97 L161 Y164 Y165 F175 T176	D81-H138 IonicContact OD1-NE2 2.98Å; D81-H138 IonicContact OD2-CE1 3.63Å; D81-H138 PolarHBondContact OD2-CE1 2.71Å; D81-H138 IonicContact OD2-NE2 3.73Å; D81-H138 PolarHBondContact OD2-NE2 3.39Å; Y97-H138 AromaticContact CE2-CE1 3.78Å; Y97-H138 AromaticContact CE2-ND1 3.41Å; Y97-H138 WeakPolarHBondContact CE2-ND1 3.28Å; Y97-H138 AromaticContact CZ-ND1 3.55Å; Y97-H138 PolarHBondContact OH-ND1 2.96Å; H138-L161 WeakPolarHBondContact CD2-CD1 3.42Å; H138-Y164 HydrophobicContact CB-CE1 3.84Å; H138-Y164 AromaticContact CD2-CE1 3.82Å; H138-Y164 AromaticContact CD2-CZ 3.93Å; H138-Y164 AromaticContact CE1-CZ 3.93Å; H138-Y164 PolarHBondContact CE1-OH 3.19Å; H138-Y164 AromaticContact CG-CE1 3.6Å; H138-Y164 AromaticContact CG-CZ 3.92Å; H138-Y164 AromaticContact ND1-CE1 3.97Å; H138-Y164 AromaticContact ND1-CZ 3.92Å; H138-Y164 PolarHBondContact ND1-OH 2.94Å; H138-Y164 VanDerWaalsContact ND1-OH 3.15Å; H138-Y164 AromaticContact NE2-CZ 3.9Å; H138-Y164 PolarHBondContact NE2-OH 3.16Å; H138-Y165 WeakPolarHBondContact CB-OH 3.24Å; H138-Y165 PolarHBondContact O-OH 3.14Å; H138-F175 VanDerWaalsContact CA-O 3.31Å; H138-F175 WeakPolarHBondContact CA-O 3.49Å; H138-T176 PolarHBondContact CD2-OG1 3.49Å; H138-T176 PolarHBondContact NE2-OG1 2.88Å
139	V	98.4	Very high	97.8	Very high	7 Å²	7	46 Å²	46	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.3	176.1	65.9	0	0	0	0	110.3	L137 T141 N143 A146 I147 Y165 G174 F175 Y177	L137-V139 HydrophobicContact CD1-CB 4.19Å; V139-T141 PolarHBondContact O-N 3.39Å; V139-N143 HydrophobicContact CG2-CB 3.85Å; V139-A146 HydrophobicContact CG2-CB 3.69Å; V139-I147 HydrophobicContact CG1-CG1 4.01Å; V139-I147 HydrophobicContact CG2-CG1 4.3Å; V139-Y165 PolarHBondContact N-OH 3.15Å; V139-G174 CarbonylContact O-C 3.58Å; V139-G174 VanDerWaalsContact O-CA 3.23Å; V139-G174 WeakPolarHBondContact O-CA 3.29Å; V139-F175 HydrophobicContact CG1-CB 4Å; V139-F175 PolarHBondContact N-O 3.15Å; V139-F175 PolarHBondContact O-N 2.87Å; V139-Y177 HydrophobicContact CG1-CD2 3.61Å; V139-Y177 HydrophobicContact CG1-CE2 3.73Å
140	L	98.1	Very high	98.1	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.099	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	137.9	169.6	-77	161.8	0	0	0	110.1	P35 T142 N143 Y165 I167 K172	P35-L140 HydrophobicContact CG-CD1 3.8Å; L140-T142 PolarHBondContact O-N 3.08Å; L140-T142 VanDerWaalsContact O-N 3.07Å; L140-N143 HydrophobicContact CB-CB 4.1Å; L140-N143 WeakPolarHBondContact O-CB 3.34Å; L140-N143 PolarHBondContact O-N 2.75Å; L140-Y165 HydrophobicContact CD2-CD2 3.34Å; L140-Y165 HydrophobicContact CD2-CE2 3.95Å; L140-Y165 HydrophobicContact CD2-CG 3.82Å; L140-Y165 HydrophobicContact CG-CD2 3.88Å; L140-Y165 HydrophobicContact CG-CE2 3.97Å; L140-Y165 HydrophobicContact CG-CG 4.41Å; L140-I167 HydrophobicContact CD1-CD1 3.86Å; L140-I167 HydrophobicContact CD2-CD1 3.92Å; L140-K172 HydrophobicContact CD2-CB 3.85Å
141	T	98.3	Very high	98.3	Very high	33 Å²	33	39.6 Å²	39.6	20%	0.202	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.4	177.2	58.6	0	0	0	0	113.1	V139 Y160 D173 F175	V139-T141 PolarHBondContact O-N 3.39Å; T141-Y160 HydrophobicContact CG2-CD2 4.06Å; T141-Y160 HydrophobicContact CG2-CE2 3.99Å; T141-D173 HydrophobicContact CG2-CB 3.63Å; T141-D173 PolarHBondContact N-O 2.88Å; T141-F175 HydrophobicContact CG2-CD1 4.14Å; T141-F175 HydrophobicContact CG2-CD2 3.76Å; T141-F175 HydrophobicContact CG2-CE1 3.94Å; T141-F175 HydrophobicContact CG2-CE2 3.54Å; T141-F175 HydrophobicContact CG2-CG 4.04Å; T141-F175 HydrophobicContact CG2-CZ 3.63Å
142	T	97.8	Very high	98.4	Very high	106 Å²	106	41.3 Å²	41.3	65%	0.65	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.1	178.2	60.4	0	0	0	0	113.9	L140 N144	L140-T142 PolarHBondContact O-N 3.08Å; L140-T142 VanDerWaalsContact O-N 3.07Å; T142-N144 VanDerWaalsContact C-N 3.3Å; T142-N144 PolarHBondContact O-N 3Å; T142-N144 VanDerWaalsContact O-N 3.07Å
143	N	97.9	Very high	98.4	Very high	61 Å²	61	44.1 Å²	44.1	33%	0.326	24%	0.24	S	C	.	.			trans	-88.4	67.8	-176.7	-170.3	-6	0	0	0	111.5	V139 L140 T145 A146 I147	V139-N143 HydrophobicContact CG2-CB 3.85Å; L140-N143 HydrophobicContact CB-CB 4.1Å; L140-N143 WeakPolarHBondContact O-CB 3.34Å; L140-N143 PolarHBondContact O-N 2.75Å; N143-T145 PolarHBondContact O-N 3.02Å; N143-T145 VanDerWaalsContact O-N 3.11Å; N143-A146 HydrophobicContact CB-CB 4.37Å; N143-A146 WeakPolarHBondContact ND2-CB 3.43Å; N143-A146 PolarHBondContact O-N 3.03Å; N143-A146 VanDerWaalsContact O-N 3.08Å; N143-A146 PolarHBondContact OD1-N 2.82Å; N143-I147 WeakPolarHBondContact O-CG1 3.29Å; N143-I147 PolarHBondContact O-N 2.9Å
144	N	98.3	Very high	98.4	Very high	112 Å²	112	47.8 Å²	47.8	60%	0.599	26%	0.261	S	S	*	.	H	α-helix	trans	-55.8	-30.7	-178.9	-66.7	-36.7	0	0	0	113.1	T142 S148	T142-N144 VanDerWaalsContact C-N 3.3Å; T142-N144 PolarHBondContact O-N 3Å; T142-N144 VanDerWaalsContact O-N 3.07Å; N144-S148 WeakPolarHBondContact O-CB 3.39Å; N144-S148 PolarHBondContact O-N 3.32Å; N144-S148 PolarHBondContact O-OG 2.63Å; N144-S148 VanDerWaalsContact O-OG 3.07Å
145	T	97.8	Very high	98.4	Very high	104 Å²	104	47.8 Å²	47.8	64%	0.638	26%	0.261	S	S	*	.	H	α-helix	trans	-66.5	-45	178.5	-60.4	0	0	0	0	111.5	N143 F149	N143-T145 PolarHBondContact O-N 3.02Å; N143-T145 VanDerWaalsContact O-N 3.11Å; T145-F149 WeakPolarHBondContact O-CB 3.34Å; T145-F149 PolarHBondContact O-N 3.49Å; T145-F149 VanDerWaalsContact O-N 3.07Å
146	A	97.9	Very high	98.4	Very high	19 Å²	19	53.8 Å²	53.8	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-71.4	-42.1	176.9	0	0	0	0	0	111.5	V139 N143 S148 F149 Y150	V139-A146 HydrophobicContact CG2-CB 3.69Å; N143-A146 HydrophobicContact CB-CB 4.37Å; N143-A146 WeakPolarHBondContact ND2-CB 3.43Å; N143-A146 PolarHBondContact O-N 3.03Å; N143-A146 VanDerWaalsContact O-N 3.08Å; N143-A146 PolarHBondContact OD1-N 2.82Å; A146-S148 PolarHBondContact O-N 3.28Å; A146-F149 WeakPolarHBondContact O-CA 3.33Å; A146-F149 WeakPolarHBondContact O-CB 3.3Å; A146-F149 PolarHBondContact O-N 2.65Å; A146-F149 VanDerWaalsContact O-N 3.07Å; A146-Y150 HydrophobicContact CB-CD2 4.36Å; A146-Y150 HydrophobicContact CB-CE2 4.13Å; A146-Y150 WeakPolarHBondContact O-CD2 3.33Å; A146-Y150 PolarHBondContact O-N 2.83Å
147	I	98.7	Very high	98.4	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.077	31%	0.308	C	S	.	.	H	α-helix	trans	-53.3	-56	175	-72.8	165.8	0	0	0	110.4	V139 N143 F149 Y150 E151 F175 Y177	V139-I147 HydrophobicContact CG1-CG1 4.01Å; V139-I147 HydrophobicContact CG2-CG1 4.3Å; N143-I147 WeakPolarHBondContact O-CG1 3.29Å; N143-I147 PolarHBondContact O-N 2.9Å; I147-F149 VanDerWaalsContact C-N 3.26Å; I147-F149 PolarHBondContact O-N 2.88Å; I147-Y150 PolarHBondContact O-N 2.91Å; I147-Y150 VanDerWaalsContact O-N 3.16Å; I147-E151 HydrophobicContact CG2-CG 4.43Å; I147-E151 WeakPolarHBondContact O-CG 3.5Å; I147-E151 PolarHBondContact O-N 3.46Å; I147-F175 HydrophobicContact CD1-CD2 4.11Å; I147-F175 HydrophobicContact CD1-CE2 4.22Å; I147-Y177 HydrophobicContact CG1-CE2 4.23Å; I147-Y177 VanDerWaalsContact CG2-OH 3.32Å; I147-Y177 WeakPolarHBondContact CG2-OH 3.41Å
148	S	98.6	Very high	98.3	Very high	60 Å²	60	60.5 Å²	60.5	42%	0.42	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-31.6	177.7	-59.8	0	0	0	0	112.7	N144 A146 N152	N144-S148 WeakPolarHBondContact O-CB 3.39Å; N144-S148 PolarHBondContact O-N 3.32Å; N144-S148 PolarHBondContact O-OG 2.63Å; N144-S148 VanDerWaalsContact O-OG 3.07Å; A146-S148 PolarHBondContact O-N 3.28Å; S148-N152 VanDerWaalsContact O-CB 3.26Å; S148-N152 WeakPolarHBondContact O-CB 3.45Å; S148-N152 PolarHBondContact O-N 3.3Å; S148-N152 PolarHBondContact O-ND2 3.08Å
149	F	98.7	Very high	98.3	Very high	41 Å²	41	61.5 Å²	61.5	18%	0.18	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-45.7	175.2	171	-88.7	0	0	0	111.6	L101 G113 L117 T145 A146 I147 R153	L101-F149 HydrophobicContact CD2-CD1 4.45Å; L101-F149 HydrophobicContact CD2-CE1 3.64Å; L101-F149 HydrophobicContact CD2-CZ 4.08Å; G113-F149 WeakPolarHBondContact O-CZ 3.43Å; L117-F149 HydrophobicContact CD2-CE1 4.3Å; L117-F149 HydrophobicContact CD2-CZ 4.46Å; T145-F149 WeakPolarHBondContact O-CB 3.34Å; T145-F149 PolarHBondContact O-N 3.49Å; T145-F149 VanDerWaalsContact O-N 3.07Å; A146-F149 WeakPolarHBondContact O-CA 3.33Å; A146-F149 WeakPolarHBondContact O-CB 3.3Å; A146-F149 PolarHBondContact O-N 2.65Å; A146-F149 VanDerWaalsContact O-N 3.07Å; I147-F149 VanDerWaalsContact C-N 3.26Å; I147-F149 PolarHBondContact O-N 2.88Å; F149-R153 VanDerWaalsContact CD2-NH1 3.28Å; F149-R153 VanDerWaalsContact CE2-NE 3.25Å; F149-R153 WeakPolarHBondContact O-CD 3.23Å; F149-R153 PolarHBondContact O-NH1 3.25Å
150	Y	98.8	Very high	98.3	Very high	15 Å²	15	67 Å²	67	6%	0.059	34%	0.344	C	S	.	.	H	α-helix	trans	-74.8	-42	-177.8	-69.4	-58.1	0	0	0	112.5	L101 L137 A146 I147 N152 R153 D154 F155	L101-Y150 HydrophobicContact CD2-CE1 4Å; L101-Y150 WeakPolarHBondContact CD2-OH 3.37Å; L137-Y150 HydrophobicContact CD1-CD2 3.84Å; L137-Y150 HydrophobicContact CD1-CE2 3.52Å; L137-Y150 HydrophobicContact CD1-CG 4.48Å; L137-Y150 HydrophobicContact CD2-CD1 3.54Å; L137-Y150 HydrophobicContact CD2-CD2 4.03Å; L137-Y150 HydrophobicContact CD2-CE1 3.22Å; L137-Y150 HydrophobicContact CD2-CE2 3.75Å; L137-Y150 HydrophobicContact CD2-CG 3.95Å; L137-Y150 HydrophobicContact CG-CE2 4.31Å; A146-Y150 HydrophobicContact CB-CD2 4.36Å; A146-Y150 HydrophobicContact CB-CE2 4.13Å; A146-Y150 WeakPolarHBondContact O-CD2 3.33Å; A146-Y150 PolarHBondContact O-N 2.83Å; I147-Y150 PolarHBondContact O-N 2.91Å; I147-Y150 VanDerWaalsContact O-N 3.16Å; Y150-N152 VanDerWaalsContact C-N 3.34Å; Y150-N152 PolarHBondContact O-N 2.91Å; Y150-R153 CarbonylContact O-C 3.55Å; Y150-R153 VanDerWaalsContact O-C 3.31Å; Y150-R153 WeakPolarHBondContact O-CA 3.49Å; Y150-R153 PolarHBondContact O-N 2.83Å; Y150-D154 PolarHBondContact O-N 2.86Å; Y150-F155 HydrophobicContact CD1-CD2 4.12Å; Y150-F155 HydrophobicContact CD1-CE2 4.29Å; Y150-F155 HydrophobicContact CD1-CG 4.3Å; Y150-F155 WeakPolarHBondContact O-CB 3.33Å; Y150-F155 PolarHBondContact O-N 3Å; Y150-F155 VanDerWaalsContact O-N 3.14Å
151	E	98.6	Very high	98.3	Very high	85 Å²	85	66.7 Å²	66.7	40%	0.397	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-40.5	177.8	-73.5	179.6	169.1	0	0	112.8	I147 R153 D154 Y177	I147-E151 HydrophobicContact CG2-CG 4.43Å; I147-E151 WeakPolarHBondContact O-CG 3.5Å; I147-E151 PolarHBondContact O-N 3.46Å; E151-R153 PolarHBondContact O-N 3.25Å; E151-R153 VanDerWaalsContact O-N 3.08Å; E151-D154 PolarHBondContact O-N 3.01Å; E151-Y177 HydrophobicContact CG-CE1 3.53Å; E151-Y177 PolarHBondContact OE1-OH 2.88Å
152	N	98.4	Very high	98.3	Very high	132 Å²	132	69 Å²	69	71%	0.706	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.8	174.1	-71.7	-38.3	0	0	0	113.5	S148 Y150	S148-N152 VanDerWaalsContact O-CB 3.26Å; S148-N152 WeakPolarHBondContact O-CB 3.45Å; S148-N152 PolarHBondContact O-N 3.3Å; S148-N152 PolarHBondContact O-ND2 3.08Å; Y150-N152 VanDerWaalsContact C-N 3.34Å; Y150-N152 PolarHBondContact O-N 2.91Å
153	R	98.4	Very high	98.2	Very high	58 Å²	58	71.4 Å²	71.4	22%	0.219	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	29	176.9	-69.8	166.7	-178.9	67	4.6	111.1	S114 L117 F149 Y150 E151 F155	S114-R153 PolarHBondContact OG-NH2 2.89Å; L117-R153 HydrophobicContact CD2-CB 4.32Å; L117-R153 HydrophobicContact CD2-CG 4.5Å; F149-R153 VanDerWaalsContact CD2-NH1 3.28Å; F149-R153 VanDerWaalsContact CE2-NE 3.25Å; F149-R153 WeakPolarHBondContact O-CD 3.23Å; F149-R153 PolarHBondContact O-NH1 3.25Å; Y150-R153 CarbonylContact O-C 3.55Å; Y150-R153 VanDerWaalsContact O-C 3.31Å; Y150-R153 WeakPolarHBondContact O-CA 3.49Å; Y150-R153 PolarHBondContact O-N 2.83Å; E151-R153 PolarHBondContact O-N 3.25Å; E151-R153 VanDerWaalsContact O-N 3.08Å; R153-F155 HydrophobicContact CB-CD2 4.4Å; R153-F155 WeakPolarHBondContact O-CD2 3.39Å; R153-F155 PolarHBondContact O-N 2.85Å; R153-F155 VanDerWaalsContact O-N 3.11Å
154	D	98.5	Very high	98.2	Very high	109 Å²	109	71.9 Å²	71.9	58%	0.583	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	5.4	173.4	-57.5	-52.7	0	0	0	116.5	Y150 E151 K156 L179	Y150-D154 PolarHBondContact O-N 2.86Å; E151-D154 PolarHBondContact O-N 3.01Å; D154-K156 PolarHBondContact O-N 2.92Å; D154-L179 HydrophobicContact CB-CD1 3.93Å
155	F	98.8	Very high	98.1	Very high	1 Å²	1	68.1 Å²	68.1	0%	0.004	33%	0.331	C	S	.	.			trans	-63.7	139.1	166.5	-73.6	-106.5	0	0	0	109.2	I98 L117 I135 L137 Y150 R153 Y177 V178 L179	I98-F155 HydrophobicContact CD1-CZ 4.47Å; L117-F155 HydrophobicContact CD1-CE2 4.31Å; L117-F155 HydrophobicContact CD1-CZ 4.21Å; L117-F155 HydrophobicContact CD2-CE2 4.04Å; I135-F155 HydrophobicContact CB-CE1 4.23Å; I135-F155 HydrophobicContact CB-CZ 4.19Å; I135-F155 HydrophobicContact CG2-CE1 4.12Å; I135-F155 HydrophobicContact CG2-CZ 3.99Å; L137-F155 HydrophobicContact CD2-CD1 3.99Å; L137-F155 HydrophobicContact CD2-CE1 3.76Å; L137-F155 HydrophobicContact CD2-CZ 4.4Å; Y150-F155 HydrophobicContact CD1-CD2 4.12Å; Y150-F155 HydrophobicContact CD1-CE2 4.29Å; Y150-F155 HydrophobicContact CD1-CG 4.3Å; Y150-F155 WeakPolarHBondContact O-CB 3.33Å; Y150-F155 PolarHBondContact O-N 3Å; Y150-F155 VanDerWaalsContact O-N 3.14Å; R153-F155 HydrophobicContact CB-CD2 4.4Å; R153-F155 WeakPolarHBondContact O-CD2 3.39Å; R153-F155 PolarHBondContact O-N 2.85Å; R153-F155 VanDerWaalsContact O-N 3.11Å; F155-Y177 HydrophobicContact CB-CD1 3.87Å; F155-V178 CarbonylContact C-O 3.5Å; F155-V178 WeakPolarHBondContact CA-O 3.37Å; F155-L179 HydrophobicContact CD1-CB 3.7Å; F155-L179 HydrophobicContact CD2-CB 3.86Å; F155-L179 HydrophobicContact CD2-CD2 4.27Å; F155-L179 HydrophobicContact CE1-CB 3.58Å; F155-L179 HydrophobicContact CE2-CB 3.72Å; F155-L179 HydrophobicContact CE2-CD2 3.68Å; F155-L179 HydrophobicContact CE2-CG 4.28Å; F155-L179 HydrophobicContact CG-CB 3.83Å; F155-L179 HydrophobicContact CZ-CB 3.59Å; F155-L179 HydrophobicContact CZ-CD2 3.99Å; F155-L179 HydrophobicContact CZ-CG 4.45Å
156	K	98.4	Very high	97.9	Very high	126 Å²	126	66.4 Å²	66.4	55%	0.548	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.1	176.4	-54.4	-57.2	172.5	-167.8	0	109.4	D154 H158 Y177 V178	D154-K156 PolarHBondContact O-N 2.92Å; K156-H158 PolarHBondContact O-N 2.84Å; K156-Y177 VanDerWaalsContact C-CD1 3.48Å; K156-Y177 WeakPolarHBondContact O-CA 3.48Å; K156-V178 PolarHBondContact N-O 2.84Å; K156-V178 PolarHBondContact O-N 3.4Å
157	Q	98.5	Very high	97.7	Very high	95 Å²	95	66.9 Å²	66.9	44%	0.444	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	123.9	170.2	-168.7	-171.8	-62.1	0	0	108.2	F175 Y177	Q157-F175 VanDerWaalsContact CD-CD1 3.47Å; Q157-F175 HydrophobicContact CG-CB 4.15Å; Q157-F175 HydrophobicContact CG-CD1 3.9Å; Q157-F175 HydrophobicContact CG-CE1 4.49Å; Q157-F175 HydrophobicContact CG-CG 4.05Å; Q157-Y177 HydrophobicContact CB-CD1 4.45Å; Q157-Y177 HydrophobicContact CB-CE1 3.89Å; Q157-Y177 HydrophobicContact CB-CE2 4.11Å; Q157-Y177 HydrophobicContact CG-CE2 4.07Å
158	H	97.4	Very high	97.3	Very high	50 Å²	50	77 Å²	77	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-54.8	-176.6	-174.8	73	0	0	0	111	D83 K156 T176 V178	D83-H158 IonicContact OD1-CD2 3.71Å; D83-H158 IonicContact OD1-CE1 3.71Å; D83-H158 IonicContact OD1-NE2 2.75Å; D83-H158 PolarHBondContact OD1-NE2 3Å; D83-H158 IonicContact OD2-NE2 3.57Å; K156-H158 PolarHBondContact O-N 2.84Å; H158-T176 HydrophobicContact CB-CG2 4.31Å; H158-T176 PolarHBondContact N-O 3.21Å; H158-V178 HydrophobicContact CB-CB 4.44Å; H158-V178 HydrophobicContact CB-CG2 3.62Å
159	H	98.1	Very high	97	Very high	43 Å²	43	77.3 Å²	77.3	20%	0.199	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.6	-179.9	-70.9	165.5	0	0	0	112.9	E80 D81 D83 L161 F175 T176	E80-H159 PolarHBondContact O-CE1 3.07Å; E80-H159 PolarHBondContact O-ND1 2.87Å; D81-H159 IonicContact OD1-ND1 3.45Å; D83-H159 VanDerWaalsContact CG-CE1 3.47Å; D83-H159 VanDerWaalsContact CG-NE2 3.32Å; D83-H159 IonicContact OD1-CE1 2.77Å; D83-H159 PolarHBondContact OD1-CE1 2.98Å; D83-H159 IonicContact OD1-ND1 3.54Å; D83-H159 IonicContact OD1-NE2 3Å; D83-H159 PolarHBondContact OD1-NE2 3.41Å; D83-H159 IonicContact OD2-CE1 2.71Å; D83-H159 PolarHBondContact OD2-CE1 2.69Å; D83-H159 IonicContact OD2-NE2 3.51Å; D83-H159 PolarHBondContact OD2-NE2 2.85Å; H159-L161 HydrophobicContact CB-CD2 4.1Å; H159-F175 CarbonylContact O-C 3.46Å; H159-F175 VanDerWaalsContact O-CA 3.25Å; H159-F175 WeakPolarHBondContact O-CA 3.45Å; H159-T176 PolarHBondContact O-N 2.83Å
160	Y	98.4	Very high	96.8	Very high	122 Å²	122	79.1 Å²	79.1	48%	0.478	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.3	160.1	168.6	-101.7	0	0	0	109.1	T141 P162 D173 F175	T141-Y160 HydrophobicContact CG2-CD2 4.06Å; T141-Y160 HydrophobicContact CG2-CE2 3.99Å; Y160-P162 HydrophobicContact CE1-CB 3.89Å; Y160-P162 HydrophobicContact CE1-CG 4.38Å; Y160-D173 HydrophobicContact CD2-CB 4.44Å; Y160-D173 HydrophobicContact CE2-CB 3.53Å; Y160-D173 PolarHBondContact OH-OD2 3.29Å; Y160-F175 HydrophobicContact CD2-CD1 4.09Å; Y160-F175 AromaticContact CD2-CE1 3.6Å; Y160-F175 HydrophobicContact CD2-CE1 3.6Å; Y160-F175 HydrophobicContact CD2-CZ 4.36Å; Y160-F175 HydrophobicContact CG-CE1 4.25Å
161	L	98.3	Very high	96.7	Very high	14 Å²	14	82.8 Å²	82.8	7%	0.073	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	97.1	-175.5	-56.4	178.6	0	0	0	109.1	E80 H138 H159 Y163 Y164 D173 G174 T176	E80-L161 HydrophobicContact CB-CD2 4.11Å; E80-L161 HydrophobicContact CG-CD2 4.47Å; H138-L161 WeakPolarHBondContact CD2-CD1 3.42Å; H159-L161 HydrophobicContact CB-CD2 4.1Å; L161-Y163 PolarHBondContact O-N 3.35Å; L161-Y164 HydrophobicContact CB-CD2 4.09Å; L161-Y164 HydrophobicContact CB-CG 3.93Å; L161-Y164 HydrophobicContact CD1-CD1 4.06Å; L161-Y164 HydrophobicContact CD1-CD2 3.74Å; L161-Y164 HydrophobicContact CD1-CE1 4.15Å; L161-Y164 HydrophobicContact CD1-CE2 3.87Å; L161-Y164 HydrophobicContact CD1-CG 3.84Å; L161-D173 CarbonylContact O-C 3.59Å; L161-D173 WeakPolarHBondContact O-CA 3.37Å; L161-G174 PolarHBondContact N-O 3.32Å; L161-G174 PolarHBondContact O-N 3.16Å; L161-T176 WeakPolarHBondContact CD1-OG1 3.44Å
162	P	97.9	Very high	96.7	Very high	80 Å²	80	83.3 Å²	83.3	52%	0.519	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.9	-179.4	26.8	-33.4	0	0	0	110.7	Y160 Y164 D173	Y160-P162 HydrophobicContact CE1-CB 3.89Å; Y160-P162 HydrophobicContact CE1-CG 4.38Å; P162-Y164 PolarHBondContact O-N 3.29Å; P162-Y164 VanDerWaalsContact O-N 3.08Å; P162-D173 WeakPolarHBondContact CA-OD1 3.34Å
163	Y	96.7	Very high	96.7	Very high	157 Å²	157	78.8 Å²	78.8	62%	0.616	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.4	27.3	175.6	-57.6	-47.6	0	0	0	115.7	L161 Y165 L171 K172 D173	L161-Y163 PolarHBondContact O-N 3.35Å; Y163-Y165 PolarHBondContact O-N 3.27Å; Y163-L171 HydrophobicContact CD1-CB 3.59Å; Y163-L171 HydrophobicContact CD1-CD1 4.49Å; Y163-L171 HydrophobicContact CG-CB 4Å; Y163-L171 HydrophobicContact CG-CD1 4.23Å; Y163-K172 CarbonylContact C-O 3.26Å; Y163-K172 VanDerWaalsContact C-O 3.26Å; Y163-K172 WeakPolarHBondContact CA-O 3.45Å; Y163-D173 PolarHBondContact N-OD1 3.49Å
164	Y	97	Very high	96.7	Very high	72 Å²	72	76 Å²	76	28%	0.282	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-34.8	-175.4	-172	-111.6	0	0	0	114.6	E80 H138 L161 P162 K172	E80-Y164 HydrophobicContact CG-CE2 4.44Å; H138-Y164 HydrophobicContact CB-CE1 3.84Å; H138-Y164 AromaticContact CD2-CE1 3.82Å; H138-Y164 AromaticContact CD2-CZ 3.93Å; H138-Y164 AromaticContact CE1-CZ 3.93Å; H138-Y164 PolarHBondContact CE1-OH 3.19Å; H138-Y164 AromaticContact CG-CE1 3.6Å; H138-Y164 AromaticContact CG-CZ 3.92Å; H138-Y164 AromaticContact ND1-CE1 3.97Å; H138-Y164 AromaticContact ND1-CZ 3.92Å; H138-Y164 PolarHBondContact ND1-OH 2.94Å; H138-Y164 VanDerWaalsContact ND1-OH 3.15Å; H138-Y164 AromaticContact NE2-CZ 3.9Å; H138-Y164 PolarHBondContact NE2-OH 3.16Å; L161-Y164 HydrophobicContact CB-CD2 4.09Å; L161-Y164 HydrophobicContact CB-CG 3.93Å; L161-Y164 HydrophobicContact CD1-CD1 4.06Å; L161-Y164 HydrophobicContact CD1-CD2 3.74Å; L161-Y164 HydrophobicContact CD1-CE1 4.15Å; L161-Y164 HydrophobicContact CD1-CE2 3.87Å; L161-Y164 HydrophobicContact CD1-CG 3.84Å; P162-Y164 PolarHBondContact O-N 3.29Å; P162-Y164 VanDerWaalsContact O-N 3.08Å; Y164-K172 PolarHBondContact N-O 2.94Å
165	Y	95.4	Very high	96.7	Very high	33 Å²	33	72.3 Å²	72.3	13%	0.129	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.7	-178	-64.2	-73.3	0	0	0	111.8	I36 H138 V139 L140 Y163 L171 K172	I36-Y165 HydrophobicContact CD1-CD1 3.27Å; I36-Y165 HydrophobicContact CD1-CE1 3.58Å; I36-Y165 HydrophobicContact CD1-CG 4.06Å; I36-Y165 HydrophobicContact CG1-CD1 4.33Å; H138-Y165 WeakPolarHBondContact CB-OH 3.24Å; H138-Y165 PolarHBondContact O-OH 3.14Å; V139-Y165 PolarHBondContact N-OH 3.15Å; L140-Y165 HydrophobicContact CD2-CD2 3.34Å; L140-Y165 HydrophobicContact CD2-CE2 3.95Å; L140-Y165 HydrophobicContact CD2-CG 3.82Å; L140-Y165 HydrophobicContact CG-CD2 3.88Å; L140-Y165 HydrophobicContact CG-CE2 3.97Å; L140-Y165 HydrophobicContact CG-CG 4.41Å; Y163-Y165 PolarHBondContact O-N 3.27Å; Y165-L171 CarbonylContact O-C 3.59Å; Y165-L171 VanDerWaalsContact O-CA 3.3Å; Y165-L171 WeakPolarHBondContact O-CA 3.46Å; Y165-K172 PolarHBondContact N-O 2.82Å; Y165-K172 PolarHBondContact O-N 3.06Å
166	S	94.6	Very high	96.7	Very high	67 Å²	67	72.3 Å²	72.3	47%	0.469	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.3	167.7	-176.1	0	0	0	0	109.8
167	I	93.6	Very high	96.7	Very high	30 Å²	30	66.3 Å²	66.3	15%	0.154	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	106.8	178.9	-65.7	174.6	0	0	0	107.6	P35 I36 L140 G169 V170 K172	P35-I167 HydrophobicContact CB-CD1 3.92Å; P35-I167 HydrophobicContact CB-CG1 4.25Å; P35-I167 HydrophobicContact CB-CG2 3.91Å; P35-I167 HydrophobicContact CG-CD1 3.45Å; P35-I167 VanDerWaalsContact CG-CD1 3.45Å; P35-I167 HydrophobicContact CG-CG1 4.13Å; P35-I167 WeakPolarHBondContact O-CG2 3.49Å; I36-I167 HydrophobicContact CG1-CG1 4.09Å; L140-I167 HydrophobicContact CD1-CD1 3.86Å; L140-I167 HydrophobicContact CD2-CD1 3.92Å; I167-G169 PolarHBondContact O-N 2.89Å; I167-V170 PolarHBondContact N-O 2.94Å; I167-V170 WeakPolarHBondContact O-CB 3.44Å; I167-V170 PolarHBondContact O-N 3.06Å; I167-K172 HydrophobicContact CD1-CB 4.5Å; I167-K172 HydrophobicContact CD1-CG 4.05Å
168	R	90.8	Very high	96.7	Very high	227 Å²	227	62 Å²	62	86%	0.857	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	42	-178.2	-56.1	-179	-178.8	-169.8	-0.8	112.5	V170	R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 2.98Å
169	G	91.3	Very high	96.8	Very high	67 Å²	67	60.5 Å²	60.5	69%	0.691	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-2.2	-178.9	0	0	0	0	0	115.4	I167	I167-G169 PolarHBondContact O-N 2.89Å
170	V	95.4	Very high	96.8	Very high	78 Å²	78	61.5 Å²	61.5	47%	0.473	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.4	176.5	-176.3	0	0	0	0	110	I167 R168 K172	I167-V170 PolarHBondContact N-O 2.94Å; I167-V170 WeakPolarHBondContact O-CB 3.44Å; I167-V170 PolarHBondContact O-N 3.06Å; R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 2.98Å; V170-K172 HydrophobicContact CG1-CD 4.5Å
171	L	96.9	Very high	96.8	Very high	93 Å²	93	57.3 Å²	57.3	49%	0.487	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.7	177.1	-58.9	177.1	0	0	0	111.4	Y163 Y165	Y163-L171 HydrophobicContact CD1-CB 3.59Å; Y163-L171 HydrophobicContact CD1-CD1 4.49Å; Y163-L171 HydrophobicContact CG-CB 4Å; Y163-L171 HydrophobicContact CG-CD1 4.23Å; Y165-L171 CarbonylContact O-C 3.59Å; Y165-L171 VanDerWaalsContact O-CA 3.3Å; Y165-L171 WeakPolarHBondContact O-CA 3.46Å
172	K	97.4	Very high	96.7	Very high	95 Å²	95	59.7 Å²	59.7	41%	0.413	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.8	-178.5	-62.2	-64.3	-178.4	-174	0	110.6	L140 Y163 Y164 Y165 I167 V170	L140-K172 HydrophobicContact CD2-CB 3.85Å; Y163-K172 CarbonylContact C-O 3.26Å; Y163-K172 VanDerWaalsContact C-O 3.26Å; Y163-K172 WeakPolarHBondContact CA-O 3.45Å; Y164-K172 PolarHBondContact N-O 2.94Å; Y165-K172 PolarHBondContact N-O 2.82Å; Y165-K172 PolarHBondContact O-N 3.06Å; I167-K172 HydrophobicContact CD1-CB 4.5Å; I167-K172 HydrophobicContact CD1-CG 4.05Å; V170-K172 HydrophobicContact CG1-CD 4.5Å
173	D	98.3	Very high	96.5	Very high	37 Å²	37	58.9 Å²	58.9	20%	0.198	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	155.2	-177.3	-50.9	-28.6	0	0	0	112	T141 Y160 L161 P162 Y163	T141-D173 HydrophobicContact CG2-CB 3.63Å; T141-D173 PolarHBondContact N-O 2.88Å; Y160-D173 HydrophobicContact CD2-CB 4.44Å; Y160-D173 HydrophobicContact CE2-CB 3.53Å; Y160-D173 PolarHBondContact OH-OD2 3.29Å; L161-D173 CarbonylContact O-C 3.59Å; L161-D173 WeakPolarHBondContact O-CA 3.37Å; P162-D173 WeakPolarHBondContact CA-OD1 3.34Å; Y163-D173 PolarHBondContact N-OD1 3.49Å
174	G	98.4	Very high	96.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	166.5	173.1	0	0	0	0	0	112.8	V139 L161	V139-G174 CarbonylContact O-C 3.58Å; V139-G174 VanDerWaalsContact O-CA 3.23Å; V139-G174 WeakPolarHBondContact O-CA 3.29Å; L161-G174 PolarHBondContact N-O 3.32Å; L161-G174 PolarHBondContact O-N 3.16Å
175	F	98.8	Very high	96.5	Very high	32 Å²	32	50.2 Å²	50.2	14%	0.14	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.6	163.5	-67.7	-55.2	0	0	0	109.7	H138 V139 T141 I147 Q157 H159 Y160 Y177	H138-F175 VanDerWaalsContact CA-O 3.31Å; H138-F175 WeakPolarHBondContact CA-O 3.49Å; V139-F175 HydrophobicContact CG1-CB 4Å; V139-F175 PolarHBondContact N-O 3.15Å; V139-F175 PolarHBondContact O-N 2.87Å; T141-F175 HydrophobicContact CG2-CD1 4.14Å; T141-F175 HydrophobicContact CG2-CD2 3.76Å; T141-F175 HydrophobicContact CG2-CE1 3.94Å; T141-F175 HydrophobicContact CG2-CE2 3.54Å; T141-F175 HydrophobicContact CG2-CG 4.04Å; T141-F175 HydrophobicContact CG2-CZ 3.63Å; I147-F175 HydrophobicContact CD1-CD2 4.11Å; I147-F175 HydrophobicContact CD1-CE2 4.22Å; Q157-F175 VanDerWaalsContact CD-CD1 3.47Å; Q157-F175 HydrophobicContact CG-CB 4.15Å; Q157-F175 HydrophobicContact CG-CD1 3.9Å; Q157-F175 HydrophobicContact CG-CE1 4.49Å; Q157-F175 HydrophobicContact CG-CG 4.05Å; H159-F175 CarbonylContact O-C 3.46Å; H159-F175 VanDerWaalsContact O-CA 3.25Å; H159-F175 WeakPolarHBondContact O-CA 3.45Å; Y160-F175 HydrophobicContact CD2-CD1 4.09Å; Y160-F175 AromaticContact CD2-CE1 3.6Å; Y160-F175 HydrophobicContact CD2-CE1 3.6Å; Y160-F175 HydrophobicContact CD2-CZ 4.36Å; Y160-F175 HydrophobicContact CG-CE1 4.25Å; F175-Y177 HydrophobicContact CB-CD2 4.01Å; F175-Y177 HydrophobicContact CB-CE2 3.81Å; F175-Y177 HydrophobicContact CD2-CE2 4.34Å; F175-Y177 HydrophobicContact CG-CE2 4.37Å
176	T	98.8	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.7	161.5	-54.8	0	0	0	0	108.3	D81 I84 Y136 L137 H138 H158 H159 L161 V178	D81-T176 WeakPolarHBondContact OD1-CB 3.16Å; D81-T176 WeakPolarHBondContact OD1-CG2 3.42Å; D81-T176 PolarHBondContact OD1-OG1 3.03Å; I84-T176 HydrophobicContact CD1-CG2 4.1Å; Y136-T176 HydrophobicContact CD2-CG2 4.33Å; L137-T176 WeakPolarHBondContact O-CA 3.42Å; H138-T176 PolarHBondContact CD2-OG1 3.49Å; H138-T176 PolarHBondContact NE2-OG1 2.88Å; H158-T176 HydrophobicContact CB-CG2 4.31Å; H158-T176 PolarHBondContact N-O 3.21Å; H159-T176 PolarHBondContact O-N 2.83Å; L161-T176 WeakPolarHBondContact CD1-OG1 3.44Å; T176-V178 HydrophobicContact CG2-CG2 4.12Å
177	Y	98.8	Very high	96.3	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.1	170.1	-89.2	-97.5	0	0	0	110.3	Y136 L137 V139 I147 E151 F155 K156 Q157 F175	Y136-Y177 CarbonylContact C-O 3.31Å; Y136-Y177 WeakPolarHBondContact CA-O 3.43Å; L137-Y177 PolarHBondContact N-O 3.38Å; L137-Y177 PolarHBondContact O-N 3.46Å; V139-Y177 HydrophobicContact CG1-CD2 3.61Å; V139-Y177 HydrophobicContact CG1-CE2 3.73Å; I147-Y177 HydrophobicContact CG1-CE2 4.23Å; I147-Y177 VanDerWaalsContact CG2-OH 3.32Å; I147-Y177 WeakPolarHBondContact CG2-OH 3.41Å; E151-Y177 HydrophobicContact CG-CE1 3.53Å; E151-Y177 PolarHBondContact OE1-OH 2.88Å; F155-Y177 HydrophobicContact CB-CD1 3.87Å; K156-Y177 VanDerWaalsContact C-CD1 3.48Å; K156-Y177 WeakPolarHBondContact O-CA 3.48Å; Q157-Y177 HydrophobicContact CB-CD1 4.45Å; Q157-Y177 HydrophobicContact CB-CE1 3.89Å; Q157-Y177 HydrophobicContact CB-CE2 4.11Å; Q157-Y177 HydrophobicContact CG-CE2 4.07Å; F175-Y177 HydrophobicContact CB-CD2 4.01Å; F175-Y177 HydrophobicContact CB-CE2 3.81Å; F175-Y177 HydrophobicContact CD2-CE2 4.34Å; F175-Y177 HydrophobicContact CG-CE2 4.37Å
178	V	98.8	Very high	95.8	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.4	-176.2	-175.7	0	0	0	0	110.7	I84 A134 I135 F155 K156 H158 T176 Y180	I84-V178 HydrophobicContact CD1-CG2 3.92Å; I84-V178 HydrophobicContact CG1-CG2 3.89Å; I84-V178 HydrophobicContact CG2-CG1 3.93Å; I84-V178 HydrophobicContact CG2-CG2 4.19Å; A134-V178 HydrophobicContact CB-CG1 4.06Å; I135-V178 CarbonylContact O-C 3.29Å; I135-V178 WeakPolarHBondContact O-CA 3.12Å; F155-V178 CarbonylContact C-O 3.5Å; F155-V178 WeakPolarHBondContact CA-O 3.37Å; K156-V178 PolarHBondContact N-O 2.84Å; K156-V178 PolarHBondContact O-N 3.4Å; H158-V178 HydrophobicContact CB-CB 4.44Å; H158-V178 HydrophobicContact CB-CG2 3.62Å; T176-V178 HydrophobicContact CG2-CG2 4.12Å; V178-Y180 HydrophobicContact CB-CE2 4.45Å; V178-Y180 HydrophobicContact CG1-CD1 4.2Å; V178-Y180 HydrophobicContact CG1-CD2 4.2Å; V178-Y180 HydrophobicContact CG1-CE1 3.83Å; V178-Y180 HydrophobicContact CG1-CE2 3.81Å; V178-Y180 HydrophobicContact CG1-CG 4.38Å
179	L	98.8	Very high	95.3	Very high	20 Å²	20	45.1 Å²	45.1	11%	0.105	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.5	164.8	175.3	66.8	0	0	0	108.6	A134 I135 D154 F155 I181	A134-L179 CarbonylContact C-O 3.35Å; A134-L179 WeakPolarHBondContact CA-O 3.44Å; I135-L179 HydrophobicContact CB-CB 4.45Å; I135-L179 HydrophobicContact CD1-CD2 4.46Å; I135-L179 PolarHBondContact N-O 3.13Å; I135-L179 PolarHBondContact O-N 2.91Å; D154-L179 HydrophobicContact CB-CD1 3.93Å; F155-L179 HydrophobicContact CD1-CB 3.7Å; F155-L179 HydrophobicContact CD2-CB 3.86Å; F155-L179 HydrophobicContact CD2-CD2 4.27Å; F155-L179 HydrophobicContact CE1-CB 3.58Å; F155-L179 HydrophobicContact CE2-CB 3.72Å; F155-L179 HydrophobicContact CE2-CD2 3.68Å; F155-L179 HydrophobicContact CE2-CG 4.28Å; F155-L179 HydrophobicContact CG-CB 3.83Å; F155-L179 HydrophobicContact CZ-CB 3.59Å; F155-L179 HydrophobicContact CZ-CD2 3.99Å; F155-L179 HydrophobicContact CZ-CG 4.45Å; L179-I181 HydrophobicContact CD2-CG2 4.37Å; L179-I181 HydrophobicContact CG-CG2 4.21Å
180	Y	98.4	Very high	94.8	Very high	63 Å²	63	48.5 Å²	48.5	25%	0.247	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	137.3	174.4	-67.1	-71.4	0	0	0	111.4	I84 L85 A134 V178 G184 P186	I84-Y180 HydrophobicContact CG2-CE1 4.34Å; I84-Y180 WeakPolarHBondContact O-CE1 3.32Å; I84-Y180 VanDerWaalsContact O-CZ 3.29Å; I84-Y180 PolarHBondContact O-OH 3.42Å; L85-Y180 HydrophobicContact CD2-CD1 4.37Å; L85-Y180 HydrophobicContact CD2-CE1 4.12Å; A134-Y180 HydrophobicContact CB-CD1 4.02Å; A134-Y180 HydrophobicContact CB-CE1 4.23Å; V178-Y180 HydrophobicContact CB-CE2 4.45Å; V178-Y180 HydrophobicContact CG1-CD1 4.2Å; V178-Y180 HydrophobicContact CG1-CD2 4.2Å; V178-Y180 HydrophobicContact CG1-CE1 3.83Å; V178-Y180 HydrophobicContact CG1-CE2 3.81Å; V178-Y180 HydrophobicContact CG1-CG 4.38Å; Y180-G184 VanDerWaalsContact CB-O 3.3Å; Y180-G184 WeakPolarHBondContact CB-O 3.49Å; Y180-G184 VanDerWaalsContact CD1-C 3.47Å; Y180-P186 HydrophobicContact CE2-CG 4.31Å; Y180-P186 VanDerWaalsContact CZ-CD 3.46Å; Y180-P186 WeakPolarHBondContact OH-CB 3.42Å
181	I	98.1	Very high	94	Very high	34 Å²	34	50.4 Å²	50.4	17%	0.174	28%	0.275	C	S	.	.			trans	-135.2	160	-179.5	58.6	170.9	0	0	0	109.7	I124 C132 K133 I135 L179 G183 G184	I124-I181 HydrophobicContact CG2-CD1 3.78Å; C132-I181 HydrophobicContact CB-CD1 4.43Å; K133-I181 CarbonylContact C-O 3.59Å; K133-I181 WeakPolarHBondContact CA-O 3.43Å; K133-I181 PolarHBondContact O-N 3.43Å; I135-I181 HydrophobicContact CD1-CD1 4.41Å; I135-I181 HydrophobicContact CG1-CD1 4.03Å; L179-I181 HydrophobicContact CD2-CG2 4.37Å; L179-I181 HydrophobicContact CG-CG2 4.21Å; I181-G183 PolarHBondContact O-N 3.31Å; I181-G184 PolarHBondContact O-N 3.08Å
182	N	96.5	Very high	93.3	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	36.6	172.6	-53.9	-39.7	0	0	0	114.4	Q129 C132 K133	Q129-N182 VanDerWaalsContact O-CG 3.3Å; Q129-N182 PolarHBondContact O-ND2 3.31Å; C132-N182 WeakPolarHBondContact O-CB 3.33Å; C132-N182 PolarHBondContact O-ND2 2.77Å; K133-N182 HydrophobicContact CD-CB 4.08Å; K133-N182 WeakPolarHBondContact CD-O 3.49Å; K133-N182 WeakPolarHBondContact CE-O 3.34Å; K133-N182 PolarHBondContact NZ-O 2.93Å
183	G	94.6	Very high	92.4	Very high	62 Å²	62	49 Å²	49	64%	0.639	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	11.3	-179.3	0	0	0	0	0	115.2	F89 I181	F89-G183 WeakPolarHBondContact CZ-O 3.33Å; I181-G183 PolarHBondContact O-N 3.31Å
184	G	96.6	Very high	91.7	Very high	11 Å²	11	52.2 Å²	52.2	11%	0.113	28%	0.282	C	S	.	.			trans	-61.2	150.2	171.2	0	0	0	0	0	112.8	K133 Y180 I181	K133-G184 WeakPolarHBondContact O-CA 3.26Å; Y180-G184 VanDerWaalsContact CB-O 3.3Å; Y180-G184 WeakPolarHBondContact CB-O 3.49Å; Y180-G184 VanDerWaalsContact CD1-C 3.47Å; I181-G184 PolarHBondContact O-N 3.08Å
185	H	95.4	Very high	90.8	Very high	36 Å²	36	58.7 Å²	58.7	17%	0.167	31%	0.312	C	S	.	.			trans	-159.7	158.7	175.7	63	82.4	0	0	0	110.5	A86 F89 W188	A86-H185 VanDerWaalsContact CB-CE1 3.45Å; A86-H185 WeakPolarHBondContact CB-CE1 3.47Å; A86-H185 PolarHBondContact N-O 2.66Å; A86-H185 VanDerWaalsContact N-O 3.07Å; F89-H185 AromaticContact CE2-CD2 3.77Å; F89-H185 AromaticContact CE2-NE2 3.75Å; F89-H185 AromaticContact CZ-CD2 3.54Å; F89-H185 AromaticContact CZ-NE2 3.67Å; H185-W188 HydrophobicContact CB-CZ2 4.43Å; H185-W188 AromaticContact ND1-CD1 3.98Å; H185-W188 AromaticContact ND1-CE2 3.9Å; H185-W188 AromaticContact ND1-NE1 3.74Å
186	P	95.1	Very high	90	Very high	39 Å²	39	61.6 Å²	61.6	25%	0.253	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-69	166.8	173.5	28.5	-31.1	0	0	0	110.8	I84 Y180 W188	I84-P186 WeakPolarHBondContact O-CA 3.41Å; Y180-P186 HydrophobicContact CE2-CG 4.31Å; Y180-P186 VanDerWaalsContact CZ-CD 3.46Å; Y180-P186 WeakPolarHBondContact OH-CB 3.42Å; P186-W188 VanDerWaalsContact O-CD1 3.31Å; P186-W188 PolarHBondContact O-N 3.31Å; P186-W188 VanDerWaalsContact O-N 3.15Å
187	P	91.5	Very high	89.3	Confident	59 Å²	59	66.3 Å²	66.3	38%	0.383	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-53.1	120.2	165.8	-19.5	29.2	0	0	0	110.1	D83	D83-P187 HydrophobicContact CB-CG 4.17Å; D83-P187 WeakPolarHBondContact O-CD 3.33Å
188	W	83.6	Confident	88.4	Confident	76 Å²	76	68.1 Å²	68.1	29%	0.288	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-85.5	139.4	175.4	-74.9	-2.5	0	0	0	110.3	H185 P186 D192 Y193 H196	H185-W188 HydrophobicContact CB-CZ2 4.43Å; H185-W188 AromaticContact ND1-CD1 3.98Å; H185-W188 AromaticContact ND1-CE2 3.9Å; H185-W188 AromaticContact ND1-NE1 3.74Å; P186-W188 VanDerWaalsContact O-CD1 3.31Å; P186-W188 PolarHBondContact O-N 3.31Å; P186-W188 VanDerWaalsContact O-N 3.15Å; W188-D192 HydrophobicContact CB-CB 3.92Å; W188-D192 HydrophobicContact CG-CB 4.05Å; W188-Y193 HydrophobicContact CB-CD2 3.6Å; W188-Y193 HydrophobicContact CB-CE2 3.55Å; W188-Y193 HydrophobicContact CB-CG 4.5Å; W188-Y193 HydrophobicContact CD2-CE2 4.41Å; W188-Y193 AromaticContact CE3-CD1 3.65Å; W188-Y193 HydrophobicContact CE3-CD1 3.65Å; W188-Y193 AromaticContact CE3-CD2 3.93Å; W188-Y193 HydrophobicContact CE3-CD2 3.93Å; W188-Y193 AromaticContact CE3-CE1 3.57Å; W188-Y193 HydrophobicContact CE3-CE1 3.57Å; W188-Y193 AromaticContact CE3-CE2 3.88Å; W188-Y193 HydrophobicContact CE3-CE2 3.88Å; W188-Y193 AromaticContact CE3-CG 3.82Å; W188-Y193 HydrophobicContact CE3-CG 3.82Å; W188-Y193 AromaticContact CE3-CZ 3.68Å; W188-Y193 HydrophobicContact CG-CE2 4.35Å; W188-Y193 HydrophobicContact CZ3-CD1 4Å; W188-Y193 AromaticContact CZ3-CE1 3.88Å; W188-Y193 HydrophobicContact CZ3-CE1 3.88Å; W188-H196 HydrophobicContact CH2-CB 4.18Å; W188-H196 AromaticContact CH2-CD2 3.42Å; W188-H196 VanDerWaalsContact CH2-CD2 3.42Å; W188-H196 WeakPolarHBondContact CH2-CD2 3.31Å; W188-H196 AromaticContact CH2-CG 3.59Å; W188-H196 AromaticContact CH2-ND1 3.96Å; W188-H196 AromaticContact CH2-NE2 3.73Å; W188-H196 HydrophobicContact CZ3-CB 3.96Å; W188-H196 AromaticContact CZ3-CG 3.71Å; W188-H196 AromaticContact CZ3-ND1 3.97Å
189	T	80.9	Confident	87.5	Confident	76 Å²	76	71.4 Å²	71.4	47%	0.466	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-71	165.3	163.9	71.4	0	0	0	0	109.8	L191 D192 Y193	T189-L191 PolarHBondContact O-N 2.68Å; T189-L191 PolarHBondContact OG1-N 3.46Å; T189-D192 WeakPolarHBondContact CB-OD2 3.19Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.48Å; T189-D192 PolarHBondContact N-OD2 3.23Å; T189-D192 PolarHBondContact O-N 3.15Å; T189-D192 VanDerWaalsContact O-N 3.16Å; T189-D192 PolarHBondContact OG1-N 3.42Å; T189-D192 PolarHBondContact OG1-OD2 3.13Å; T189-Y193 PolarHBondContact O-N 2.72Å; T189-Y193 VanDerWaalsContact O-N 3.14Å
190	I	79.6	Confident	86.6	Confident	139 Å²	139	72.3 Å²	72.3	71%	0.713	40%	0.403	S	S	*	.	H	α-helix	trans	-58.3	-36.1	175.1	-64.4	169.4	0	0	0	110.8	Y193 I194	I190-Y193 PolarHBondContact O-N 3.26Å; I190-I194 HydrophobicContact CG2-CD1 3.92Å; I190-I194 HydrophobicContact CG2-CG1 4.5Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 2.82Å
191	L	79.6	Confident	85.7	Confident	117 Å²	117	74 Å²	74	61%	0.613	42%	0.416	S	S	*	.	H	α-helix	trans	-65.3	-41.3	177.9	-67.8	175	0	0	0	111.6	T189 Y193 I194 Q195	T189-L191 PolarHBondContact O-N 2.68Å; T189-L191 PolarHBondContact OG1-N 3.46Å; L191-Y193 VanDerWaalsContact C-N 3.32Å; L191-Y193 PolarHBondContact O-N 3.08Å; L191-I194 PolarHBondContact O-N 3.13Å; L191-Q195 WeakPolarHBondContact O-CB 3.21Å; L191-Q195 WeakPolarHBondContact O-CG 3.38Å; L191-Q195 PolarHBondContact O-N 2.8Å
192	D	82.1	Confident	84.6	Confident	61 Å²	61	76.5 Å²	76.5	33%	0.326	44%	0.441	S	S	.	.	H	α-helix	trans	-62.8	-41.6	177.3	-56.1	-42.7	0	0	0	111	W188 T189 I194 Q195 H196	W188-D192 HydrophobicContact CB-CB 3.92Å; W188-D192 HydrophobicContact CG-CB 4.05Å; T189-D192 WeakPolarHBondContact CB-OD2 3.19Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.48Å; T189-D192 PolarHBondContact N-OD2 3.23Å; T189-D192 PolarHBondContact O-N 3.15Å; T189-D192 VanDerWaalsContact O-N 3.16Å; T189-D192 PolarHBondContact OG1-N 3.42Å; T189-D192 PolarHBondContact OG1-OD2 3.13Å; D192-I194 PolarHBondContact O-N 3.45Å; D192-Q195 PolarHBondContact O-N 2.93Å; D192-H196 VanDerWaalsContact O-CB 3.26Å; D192-H196 WeakPolarHBondContact O-CB 3.38Å; D192-H196 PolarHBondContact O-N 2.84Å
193	Y	78.9	Confident	83.6	Confident	98 Å²	98	78 Å²	78	38%	0.384	46%	0.457	S	S	.	.	H	α-helix	trans	-60.4	-45	173.6	-94.1	-74.8	0	0	0	112.4	W188 T189 I190 L191 H196 L197	W188-Y193 HydrophobicContact CB-CD2 3.6Å; W188-Y193 HydrophobicContact CB-CE2 3.55Å; W188-Y193 HydrophobicContact CB-CG 4.5Å; W188-Y193 HydrophobicContact CD2-CE2 4.41Å; W188-Y193 AromaticContact CE3-CD1 3.65Å; W188-Y193 HydrophobicContact CE3-CD1 3.65Å; W188-Y193 AromaticContact CE3-CD2 3.93Å; W188-Y193 HydrophobicContact CE3-CD2 3.93Å; W188-Y193 AromaticContact CE3-CE1 3.57Å; W188-Y193 HydrophobicContact CE3-CE1 3.57Å; W188-Y193 AromaticContact CE3-CE2 3.88Å; W188-Y193 HydrophobicContact CE3-CE2 3.88Å; W188-Y193 AromaticContact CE3-CG 3.82Å; W188-Y193 HydrophobicContact CE3-CG 3.82Å; W188-Y193 AromaticContact CE3-CZ 3.68Å; W188-Y193 HydrophobicContact CG-CE2 4.35Å; W188-Y193 HydrophobicContact CZ3-CD1 4Å; W188-Y193 AromaticContact CZ3-CE1 3.88Å; W188-Y193 HydrophobicContact CZ3-CE1 3.88Å; T189-Y193 PolarHBondContact O-N 2.72Å; T189-Y193 VanDerWaalsContact O-N 3.14Å; I190-Y193 PolarHBondContact O-N 3.26Å; L191-Y193 VanDerWaalsContact C-N 3.32Å; L191-Y193 PolarHBondContact O-N 3.08Å; Y193-H196 PolarHBondContact O-N 3.17Å; Y193-L197 WeakPolarHBondContact O-CB 3.29Å; Y193-L197 VanDerWaalsContact O-CG 3.29Å; Y193-L197 WeakPolarHBondContact O-CG 3.39Å; Y193-L197 PolarHBondContact O-N 3.47Å
194	I	82.9	Confident	82.3	Confident	105 Å²	105	79 Å²	79	54%	0.538	45%	0.448	S	S	.	.	H	α-helix	trans	-64.8	-44.2	179.2	-68.5	167.4	0	0	0	110.6	I190 L191 D192 L197 G198	I190-I194 HydrophobicContact CG2-CD1 3.92Å; I190-I194 HydrophobicContact CG2-CG1 4.5Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 2.82Å; L191-I194 PolarHBondContact O-N 3.13Å; D192-I194 PolarHBondContact O-N 3.45Å; I194-L197 PolarHBondContact O-N 3.22Å; I194-G198 PolarHBondContact O-N 2.84Å
195	Q	80	Confident	80.6	Confident	135 Å²	135	82 Å²	82	63%	0.631	47%	0.466	S	S	*	.	H	α-helix	trans	-63.2	-43.1	177.8	-72.7	178.4	5.7	0	0	111.5	L191 D192 G198 S199	L191-Q195 WeakPolarHBondContact O-CB 3.21Å; L191-Q195 WeakPolarHBondContact O-CG 3.38Å; L191-Q195 PolarHBondContact O-N 2.8Å; D192-Q195 PolarHBondContact O-N 2.93Å; Q195-G198 PolarHBondContact O-N 2.95Å; Q195-S199 PolarHBondContact O-N 3.17Å; Q195-S199 PolarHBondContact O-OG 2.89Å
196	H	82	Confident	78.9	Confident	94 Å²	94	86 Å²	86	44%	0.435	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-42.8	177.5	-175.8	-82.4	0	0	0	112.2	W188 D192 Y193 G198 S199 A200	W188-H196 HydrophobicContact CH2-CB 4.18Å; W188-H196 AromaticContact CH2-CD2 3.42Å; W188-H196 VanDerWaalsContact CH2-CD2 3.42Å; W188-H196 WeakPolarHBondContact CH2-CD2 3.31Å; W188-H196 AromaticContact CH2-CG 3.59Å; W188-H196 AromaticContact CH2-ND1 3.96Å; W188-H196 AromaticContact CH2-NE2 3.73Å; W188-H196 HydrophobicContact CZ3-CB 3.96Å; W188-H196 AromaticContact CZ3-CG 3.71Å; W188-H196 AromaticContact CZ3-ND1 3.97Å; D192-H196 VanDerWaalsContact O-CB 3.26Å; D192-H196 WeakPolarHBondContact O-CB 3.38Å; D192-H196 PolarHBondContact O-N 2.84Å; Y193-H196 PolarHBondContact O-N 3.17Å; H196-G198 VanDerWaalsContact C-N 3.35Å; H196-S199 PolarHBondContact O-OG 3.44Å; H196-A200 VanDerWaalsContact O-CB 3.27Å; H196-A200 WeakPolarHBondContact O-CB 3.27Å; H196-A200 PolarHBondContact O-N 2.98Å
197	L	82.5	Confident	77.2	Confident	98 Å²	98	89.8 Å²	89.8	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-41.8	173.9	-73.5	170.6	0	0	0	111.1	Y193 I194 A200 L201	Y193-L197 WeakPolarHBondContact O-CB 3.29Å; Y193-L197 VanDerWaalsContact O-CG 3.29Å; Y193-L197 WeakPolarHBondContact O-CG 3.39Å; Y193-L197 PolarHBondContact O-N 3.47Å; I194-L197 PolarHBondContact O-N 3.22Å; L197-A200 PolarHBondContact O-N 2.68Å; L197-L201 VanDerWaalsContact O-CB 3.24Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 WeakPolarHBondContact O-CD1 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.24Å; L197-L201 PolarHBondContact O-N 3.42Å
198	G	81.3	Confident	75.6	Confident	39 Å²	39	90.3 Å²	90.3	40%	0.402	53%	0.527	S	S	.	.	H	α-helix	trans	-59.8	-46.1	177.2	0	0	0	0	0	112.6	I194 Q195 H196 A202	I194-G198 PolarHBondContact O-N 2.84Å; Q195-G198 PolarHBondContact O-N 2.95Å; H196-G198 VanDerWaalsContact C-N 3.35Å; G198-A202 VanDerWaalsContact O-CB 3.28Å; G198-A202 WeakPolarHBondContact O-CB 3.12Å; G198-A202 PolarHBondContact O-N 3.02Å
199	S	79.8	Confident	74.8	Confident	73 Å²	73	89.6 Å²	89.6	51%	0.51	53%	0.528	S	S	.	.	H	α-helix	trans	-69.1	-41.3	177.9	64.4	0	0	0	0	112.5	Q195 H196 A202 S203	Q195-S199 PolarHBondContact O-N 3.17Å; Q195-S199 PolarHBondContact O-OG 2.89Å; H196-S199 PolarHBondContact O-OG 3.44Å; S199-A202 PolarHBondContact O-N 2.85Å; S199-S203 PolarHBondContact O-N 3.3Å; S199-S203 VanDerWaalsContact O-N 3.08Å
200	A	79	Confident	74.3	Confident	39 Å²	39	90 Å²	90	32%	0.322	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-43.8	175.1	0	0	0	0	0	111.7	H196 L197 S203	H196-A200 VanDerWaalsContact O-CB 3.27Å; H196-A200 WeakPolarHBondContact O-CB 3.27Å; H196-A200 PolarHBondContact O-N 2.98Å; L197-A200 PolarHBondContact O-N 2.68Å; A200-S203 PolarHBondContact O-N 3.43Å; A200-S203 PolarHBondContact O-OG 2.9Å
201	L	79.3	Confident	73.5	Confident	99 Å²	99	89.1 Å²	89.1	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-68.2	-35.5	176.7	-70.1	169.6	0	0	0	112.3	L197 S203 L204	L197-L201 VanDerWaalsContact O-CB 3.24Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 WeakPolarHBondContact O-CD1 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.24Å; L197-L201 PolarHBondContact O-N 3.42Å; L201-S203 VanDerWaalsContact C-N 3.26Å; L201-S203 PolarHBondContact O-N 3.2Å; L201-L204 HydrophobicContact CD2-CD1 4.2Å; L201-L204 WeakPolarHBondContact O-CB 3.49Å; L201-L204 PolarHBondContact O-N 3.18Å
202	A	76.1	Confident	72.5	Confident	85 Å²	85	93.8 Å²	93.8	70%	0.702	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-26.8	175.4	0	0	0	0	0	112.9	G198 S199 L204	G198-A202 VanDerWaalsContact O-CB 3.28Å; G198-A202 WeakPolarHBondContact O-CB 3.12Å; G198-A202 PolarHBondContact O-N 3.02Å; S199-A202 PolarHBondContact O-N 2.85Å; A202-L204 VanDerWaalsContact C-N 3.27Å
203	S	74	Confident	71.9	Confident	97 Å²	97	94.6 Å²	94.6	68%	0.678	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.5	174.3	76.7	0	0	0	0	113.9	S199 A200 L201	S199-S203 PolarHBondContact O-N 3.3Å; S199-S203 VanDerWaalsContact O-N 3.08Å; A200-S203 PolarHBondContact O-N 3.43Å; A200-S203 PolarHBondContact O-OG 2.9Å; L201-S203 VanDerWaalsContact C-N 3.26Å; L201-S203 PolarHBondContact O-N 3.2Å
204	L	68.3	Low	71.5	Confident	84 Å²	84	96.8 Å²	96.8	44%	0.44	55%	0.55	S	S	.	.	S	Bend	trans	-87	122.7	175.3	-67.4	168.3	0	0	0	110	L201 A202	L201-L204 HydrophobicContact CD2-CD1 4.2Å; L201-L204 WeakPolarHBondContact O-CB 3.49Å; L201-L204 PolarHBondContact O-N 3.18Å; A202-L204 VanDerWaalsContact C-N 3.27Å
205	S	61.9	Low	70.6	Confident	72 Å²	72	99.7 Å²	99.7	50%	0.503	55%	0.554	S	S	.	*			trans	-56.7	136.9	172.6	-51.9	0	0	0	0	110.4	C207 S208	S205-C207 WeakPolarHBondContact CB-SG 3.46Å; S205-C207 PolarHBondContact O-N 3.39Å; S205-S208 PolarHBondContact O-N 2.94Å; S205-S208 PolarHBondContact O-OG 3.41Å
206	P	59.1	Low	69.9	Low	122 Å²	122	99.4 Å²	99.4	79%	0.792	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-20.6	-179.3	-28	34.1	0	0	0	115
207	C	59.3	Low	69.6	Low	118 Å²	118	97.2 Å²	97.2	80%	0.797	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-8.5	178.7	44.5	0	0	0	0	115.4	S205	S205-C207 WeakPolarHBondContact CB-SG 3.46Å; S205-C207 PolarHBondContact O-N 3.39Å
208	S	58.1	Low	69	Low	70 Å²	70	97 Å²	97	49%	0.49	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-12.9	177.9	61.1	0	0	0	0	114.2	S205 P210	S205-S208 PolarHBondContact O-N 2.94Å; S205-S208 PolarHBondContact O-OG 3.41Å; S208-P210 WeakPolarHBondContact O-CD 3.4Å
209	I	65.4	Low	68.2	Low	61 Å²	61	98.8 Å²	98.8	31%	0.313	55%	0.553	S	S	.	*	S	Bend	trans	-74.3	121.9	172	-59.2	177.3	0	0	0	107.5	H211 V213	I209-H211 PolarHBondContact O-N 3.25Å; I209-H211 VanDerWaalsContact O-N 3.08Å; I209-V213 HydrophobicContact CG2-CB 4.25Å; I209-V213 HydrophobicContact CG2-CG1 4.45Å
210	P	71.1	Confident	67.7	Low	85 Å²	85	100.2 Å²	100.2	55%	0.552	55%	0.554	S	S	*	*			trans	-53.1	124.3	179.5	-24.9	32.8	0	0	0	109.6	S208 R212 V213 Y214	S208-P210 WeakPolarHBondContact O-CD 3.4Å; P210-R212 CarbonylContact O-C 3.6Å; P210-R212 PolarHBondContact O-N 3.43Å; P210-V213 HydrophobicContact CB-CG2 4.23Å; P210-V213 HydrophobicContact CG-CG2 4.45Å; P210-V213 PolarHBondContact O-N 3.32Å; P210-Y214 PolarHBondContact O-N 2.97Å
211	H	62.5	Low	67.3	Low	120 Å²	120	104.1 Å²	104.1	56%	0.556	57%	0.569	S	S	*	*	H	α-helix	trans	-53.3	-23.8	-173.1	-160.4	-37	0	0	0	112.9	I209 R215	I209-H211 PolarHBondContact O-N 3.25Å; I209-H211 VanDerWaalsContact O-N 3.08Å; H211-R215 PolarHBondContact CE1-NE 3.11Å; H211-R215 PolarHBondContact ND1-NE 3.05Å; H211-R215 WeakPolarHBondContact O-CB 3.35Å; H211-R215 WeakPolarHBondContact O-CG 3.46Å; H211-R215 PolarHBondContact O-N 3.46Å
212	R	58	Low	66.5	Low	214 Å²	214	102.4 Å²	102.4	81%	0.808	57%	0.565	S	S	*	*	H	α-helix	trans	-65.3	-44	171.6	-82.9	-175.1	171.7	176.5	-2	114	P210 R215 Q216	P210-R212 CarbonylContact O-C 3.6Å; P210-R212 PolarHBondContact O-N 3.43Å; R212-R215 PolarHBondContact O-N 2.65Å; R212-Q216 WeakPolarHBondContact O-CB 3.09Å; R212-Q216 PolarHBondContact O-N 3.39Å
213	V	70.9	Confident	65.8	Low	79 Å²	79	102.2 Å²	102.2	48%	0.479	56%	0.558	S	S	.	*	H	α-helix	trans	-67.7	-43.2	-180	178.9	0	0	0	0	109.9	I209 P210 R215 Q216 A217	I209-V213 HydrophobicContact CG2-CB 4.25Å; I209-V213 HydrophobicContact CG2-CG1 4.45Å; P210-V213 HydrophobicContact CB-CG2 4.23Å; P210-V213 HydrophobicContact CG-CG2 4.45Å; P210-V213 PolarHBondContact O-N 3.32Å; V213-R215 PolarHBondContact O-N 2.93Å; V213-Q216 PolarHBondContact O-N 2.87Å; V213-A217 WeakPolarHBondContact O-CB 3.5Å; V213-A217 PolarHBondContact O-N 3.37Å
214	Y	69.9	Low	65	Low	143 Å²	143	105.8 Å²	105.8	56%	0.561	56%	0.562	S	S	*	*	H	α-helix	trans	-59.1	-47.6	173	178.8	-97.9	0	0	0	111.9	P210 Q216 A217 H218	P210-Y214 PolarHBondContact O-N 2.97Å; Y214-Q216 VanDerWaalsContact C-N 3.35Å; Y214-Q216 PolarHBondContact O-N 3.27Å; Y214-A217 PolarHBondContact O-N 2.91Å; Y214-H218 WeakPolarHBondContact O-CB 3.28Å; Y214-H218 PolarHBondContact O-N 3.42Å
215	R	64.2	Low	64.1	Low	166 Å²	166	107.3 Å²	107.3	63%	0.626	57%	0.57	S	S	*	*	H	α-helix	trans	-63	-38.5	177.5	-79.4	-175.7	-165.6	-170	4.9	112.7	H211 R212 V213 S219	H211-R215 PolarHBondContact CE1-NE 3.11Å; H211-R215 PolarHBondContact ND1-NE 3.05Å; H211-R215 WeakPolarHBondContact O-CB 3.35Å; H211-R215 WeakPolarHBondContact O-CG 3.46Å; H211-R215 PolarHBondContact O-N 3.46Å; R212-R215 PolarHBondContact O-N 2.65Å; V213-R215 PolarHBondContact O-N 2.93Å; R215-S219 WeakPolarHBondContact O-CB 3.43Å; R215-S219 PolarHBondContact O-N 3.31Å
216	Q	66.1	Low	63.7	Low	130 Å²	130	109.8 Å²	109.8	61%	0.607	58%	0.584	S	S	*	*	H	α-helix	trans	-69.5	-44.6	177.2	-82.8	177.5	-26.9	0	0	112	R212 V213 Y214 H218 S219 L220	R212-Q216 WeakPolarHBondContact O-CB 3.09Å; R212-Q216 PolarHBondContact O-N 3.39Å; V213-Q216 PolarHBondContact O-N 2.87Å; Y214-Q216 VanDerWaalsContact C-N 3.35Å; Y214-Q216 PolarHBondContact O-N 3.27Å; Q216-H218 PolarHBondContact O-N 2.86Å; Q216-S219 PolarHBondContact O-N 3.36Å; Q216-L220 WeakPolarHBondContact O-CB 3.36Å; Q216-L220 VanDerWaalsContact O-CG 3.28Å; Q216-L220 WeakPolarHBondContact O-CG 3.37Å; Q216-L220 PolarHBondContact O-N 3.5Å
217	A	74	Confident	63.2	Low	47 Å²	47	115.7 Å²	115.7	39%	0.388	59%	0.591	S	S	.	*	H	α-helix	trans	-62.5	-43.3	175.5	0	0	0	0	0	111.5	V213 Y214 L220 L221	V213-A217 WeakPolarHBondContact O-CB 3.5Å; V213-A217 PolarHBondContact O-N 3.37Å; Y214-A217 PolarHBondContact O-N 2.91Å; A217-L220 PolarHBondContact O-N 2.87Å; A217-L221 WeakPolarHBondContact O-CB 3.2Å; A217-L221 WeakPolarHBondContact O-CG 3.44Å; A217-L221 PolarHBondContact O-N 3.5Å
218	H	70.1	Confident	62.4	Low	95 Å²	95	115.2 Å²	115.2	44%	0.44	59%	0.589	S	S	.	*	H	α-helix	trans	-62.7	-45	174.2	-176.5	-79.5	0	0	0	111.9	Y214 Q216 L220 L221 C222	Y214-H218 WeakPolarHBondContact O-CB 3.28Å; Y214-H218 PolarHBondContact O-N 3.42Å; Q216-H218 PolarHBondContact O-N 2.86Å; H218-L220 VanDerWaalsContact C-N 3.31Å; H218-L220 PolarHBondContact O-N 3.42Å; H218-L221 PolarHBondContact O-N 3.43Å; H218-C222 PolarHBondContact CE1-SG 2.86Å; H218-C222 WeakPolarHBondContact O-CB 3.45Å; H218-C222 PolarHBondContact O-N 2.86Å; H218-C222 PolarHBondContact O-SG 2.85Å
219	S	65.6	Low	61.9	Low	76 Å²	76	115.1 Å²	115.1	53%	0.531	60%	0.599	S	S	.	*	H	α-helix	trans	-59.9	-41.3	176.2	179.7	0	0	0	0	112.1	R215 Q216 S223	R215-S219 WeakPolarHBondContact O-CB 3.43Å; R215-S219 PolarHBondContact O-N 3.31Å; Q216-S219 PolarHBondContact O-N 3.36Å; S219-S223 WeakPolarHBondContact O-CB 3.18Å; S219-S223 PolarHBondContact O-N 3.37Å; S219-S223 VanDerWaalsContact O-N 3.11Å
220	L	69	Low	60.7	Low	103 Å²	103	120.7 Å²	120.7	54%	0.539	63%	0.628	S	S	.	*	H	α-helix	trans	-69.1	-46.9	177.3	-71.9	167.9	0	0	0	110.7	Q216 A217 H218 C222 S223 F224	Q216-L220 WeakPolarHBondContact O-CB 3.36Å; Q216-L220 VanDerWaalsContact O-CG 3.28Å; Q216-L220 WeakPolarHBondContact O-CG 3.37Å; Q216-L220 PolarHBondContact O-N 3.5Å; A217-L220 PolarHBondContact O-N 2.87Å; H218-L220 VanDerWaalsContact C-N 3.31Å; H218-L220 PolarHBondContact O-N 3.42Å; L220-C222 VanDerWaalsContact C-N 3.34Å; L220-C222 PolarHBondContact O-N 3.31Å; L220-S223 PolarHBondContact O-N 3.05Å; L220-S223 PolarHBondContact O-OG 3.44Å; L220-F224 WeakPolarHBondContact O-CD2 3.36Å; L220-F224 PolarHBondContact O-N 3.39Å
221	L	70.2	Confident	59	Low	120 Å²	120	121.1 Å²	121.1	63%	0.628	63%	0.633	S	S	*	*	H	α-helix	trans	-58.3	-43	175.9	-81.9	161	0	0	0	112.4	A217 H218 S223 F224 L225	A217-L221 WeakPolarHBondContact O-CB 3.2Å; A217-L221 WeakPolarHBondContact O-CG 3.44Å; A217-L221 PolarHBondContact O-N 3.5Å; H218-L221 PolarHBondContact O-N 3.43Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 3.34Å; L221-F224 PolarHBondContact O-N 3.27Å; L221-L225 PolarHBondContact O-N 2.9Å
222	C	62.8	Low	58.2	Low	64 Å²	64	120.7 Å²	120.7	43%	0.432	64%	0.643	S	S	.	*	H	α-helix	trans	-66.2	-30.1	175.3	-70.5	0	0	0	0	113	H218 L220 F224 L225	H218-C222 PolarHBondContact CE1-SG 2.86Å; H218-C222 WeakPolarHBondContact O-CB 3.45Å; H218-C222 PolarHBondContact O-N 2.86Å; H218-C222 PolarHBondContact O-SG 2.85Å; L220-C222 VanDerWaalsContact C-N 3.34Å; L220-C222 PolarHBondContact O-N 3.31Å; C222-F224 VanDerWaalsContact C-N 3.27Å; C222-F224 PolarHBondContact O-N 3.08Å; C222-L225 PolarHBondContact O-N 2.79Å
223	S	61.7	Low	57.2	Low	81 Å²	81	119.4 Å²	119.4	57%	0.566	64%	0.643	S	S	*	*	H	α-helix	trans	-72.9	-19	176.4	72.9	0	0	0	0	113.9	S219 L220 L221	S219-S223 WeakPolarHBondContact O-CB 3.18Å; S219-S223 PolarHBondContact O-N 3.37Å; S219-S223 VanDerWaalsContact O-N 3.11Å; L220-S223 PolarHBondContact O-N 3.05Å; L220-S223 PolarHBondContact O-OG 3.44Å; L221-S223 VanDerWaalsContact C-N 3.3Å; L221-S223 PolarHBondContact O-N 3.34Å
224	F	57	Low	55.6	Low	171 Å²	171	121 Å²	121	75%	0.75	66%	0.658	S	S	*	*	H	α-helix	trans	-94	-7.9	175.4	-73.1	-70.3	0	0	0	113.5	L220 L221 C222 P226	L220-F224 WeakPolarHBondContact O-CD2 3.36Å; L220-F224 PolarHBondContact O-N 3.39Å; L221-F224 PolarHBondContact O-N 3.27Å; C222-F224 VanDerWaalsContact C-N 3.27Å; C222-F224 PolarHBondContact O-N 3.08Å; F224-P226 WeakPolarHBondContact O-CD 3.44Å
225	L	49.8	Very low	53.9	Low	117 Å²	117	117.7 Å²	117.7	61%	0.613	67%	0.667	S	S	*	*	S	Bend	trans	-90.7	115	173.3	-73.6	166.8	0	0	0	109.3	L221 C222 W227	L221-L225 PolarHBondContact O-N 2.9Å; C222-L225 PolarHBondContact O-N 2.79Å; L225-W227 VanDerWaalsContact C-N 3.31Å; L225-W227 PolarHBondContact O-N 2.85Å
226	P	52.3	Low	52.7	Low	123 Å²	123	118.4 Å²	118.4	80%	0.799	68%	0.682	S	S	*	*			trans	-79.5	83.2	177.7	31.9	-30.6	0	0	0	108.8	F224 S228	F224-P226 WeakPolarHBondContact O-CD 3.44Å; P226-S228 PolarHBondContact O-N 3.23Å
227	W	50	Low	51.3	Low	246 Å²	246	120.4 Å²	120.4	93%	0.932	69%	0.691	S	S	*	*			trans	-89.4	89.6	167.4	-131.9	-24.9	0	0	0	109.8	L225 G229	L225-W227 VanDerWaalsContact C-N 3.31Å; L225-W227 PolarHBondContact O-N 2.85Å; W227-G229 PolarHBondContact O-N 3.25Å
228	S	41.6	Very low	49.8	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	71%	0.712	S	S	*	*			trans	-73.8	114.2	163	51.6	0	0	0	0	109.9	P226	P226-S228 PolarHBondContact O-N 3.23Å
229	G	48.4	Very low	48	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	73%	0.734	S	S	*	*			trans	83.3	105.8	139.6	0	0	0	0	0	118.2	W227	W227-G229 PolarHBondContact O-N 3.25Å
230	I	39.9	Very low	46.9	Very low	177 Å²	177	136.9 Å²	136.9	91%	0.908	75%	0.749	S	S	*	*			trans	-129.2	116.6	132.1	-62	-178.1	0	0	0	108
231	S	35.9	Very low	45.5	Very low	95 Å²	95	137.8 Å²	137.8	66%	0.664	76%	0.759	S	S	*	*			trans	-57.4	134.9	-178.2	-173.8	0	0	0	0	112.4
232	S	45.3	Very low	43.9	Very low	111 Å²	111	144.8 Å²	144.8	78%	0.776	79%	0.792	S	S	*	*			trans	-61	130.1	154.7	49.7	0	0	0	0	109.6
233	K	37.5	Very low	42.9	Very low	186 Å²	186	148.8 Å²	148.8	81%	0.809	81%	0.81	S	S	*	*			trans	-147.2	117.3	154.4	-86.2	-160.8	179	178.1	0	110.5
234	S	35.5	Very low	41.9	Very low	113 Å²	113	152.4 Å²	152.4	79%	0.79	82%	0.822	S	S	*	*			trans	34.7	122.1	140	59	0	0	0	0	117.5
235	G	36	Very low	41.1	Very low	73 Å²	73	151.3 Å²	151.3	75%	0.753	83%	0.827	S	S	*	*				101.8	107.9	50.5	0	0	0	0	0	108.8
236	I	37.1	Very low	40.6	Very low	181 Å²	181	153.4 Å²	153.4	93%	0.928	84%	0.839	S	S	*	*			trans	-139.7	132.7	155.8	-61.8	-175.2	0	0	0	108
237	E	37.5	Very low	39.8	Very low	172 Å²	172	155.3 Å²	155.3	80%	0.804	84%	0.842	S	S	*	*			trans	-95.6	156.1	-166.7	-159.5	171.9	-171	0	0	112
238	Y	42	Very low	39.2	Very low	210 Å²	210	149.2 Å²	149.2	82%	0.824	84%	0.836	S	S	*	*			trans	-16.1	147.6	172.1	-74.8	-95.6	0	0	0	121.9
239	S	33.4	Very low	39	Very low	130 Å²	130	152.1 Å²	152.1	91%	0.909	84%	0.841	S	S	*	*				-157.9	153	119.6	-86.7	0	0	0	0	114
240	R	42.9	Very low	38.3	Very low	225 Å²	225	158.5 Å²	158.5	85%	0.849	85%	0.852	S	S	*	*			trans	-93.2	152	-162.6	-116.1	178.8	172.4	167.5	-3.3	113
241	T	38.3	Very low	38.1	Very low	121 Å²	121	157 Å²	157	74%	0.742	85%	0.847	S	S	*	*			trans	53.3	122	144	53.9	0	0	0	0	121.3
242	M	36.3	Very low	38.3	Very low	267 Å²	267	162.6 Å²	162.6	100%	1.315	86%	0.864	S	S	*	*				-136.4	0	91.6	-86.9	-160.5	-172.3	0	0	109.6

Retrieved 242 of 242 residues in 522.1 ms (Link to these results)

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