A0A2K5Y394_MANLE Loading...

3-oxoacyl-[acyl-carrier-protein] reductase

Component of the heterotetramer complex KAR (3-ketoacyl-[acyl carrier protein] reductase or 3-ketoacyl-[ACP] reductase) that forms part of the mitochondrial fatty acid synthase (mtFAS). Beta-subunit of the KAR heterotetramer complex, responsible for the 3-ketoacyl-ACP reductase activity of the mtFAS, reduces 3-oxoacyl-[ACP] to (3R)-hydroxyacyl-[ACP] in a NADPH-dependent manner with no chain length preference, thereby participating in mitochondrial fatty acid biosynthesis. The homotetramer has NADPH-dependent quinone reductase activity (in vitro), hence could play a role in protection against cytotoxicity of exogenous quinones. As a heterotetramer, it can also reduce 9,10-phenanthrenequinone, 1,4-benzoquinone and various other o-quinones and p-quinones (in vitro).

AlphaFold DB , UniProt , Accession A0A2K5Y394, Species MANLE (Mandrillus leucophaeus, Drill), Gene CBR4, Length 237 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	57.4	Low	92.6	Very high	192 Å²	192	42 Å²	42	95%	0.946	22%	0.219	S	C	*	.				0	127.2	0	-82.6	-179.1	178	0	0	107.1	K3	M1-K3 PolarHBondContact O-N 3.05Å
2	D	82	Confident	93	Very high	135 Å²	135	51.4 Å²	51.4	72%	0.722	25%	0.25	S	C	*	.			trans	-60.4	129.1	174.8	-56.3	-40.2	0	0	0	109.2	V4 N78	D2-V4 HydrophobicContact CB-CG2 4.25Å; D2-V4 PolarHBondContact O-N 3.25Å; D2-N78 PolarHBondContact O-ND2 2.94Å; D2-N78 PolarHBondContact O-OD1 3.26Å
3	K	92.1	Very high	93.3	Very high	95 Å²	95	49.5 Å²	49.5	41%	0.413	25%	0.252	S	S	.	.			trans	-89.7	79.3	-176.4	-67.3	-177.9	178.8	-177.3	0	109.8	M1 Y27 R28 F79	M1-K3 PolarHBondContact O-N 3.05Å; K3-Y27 HydrophobicContact CB-CD1 3.58Å; K3-Y27 HydrophobicContact CB-CE1 3.89Å; K3-Y27 HydrophobicContact CB-CG 4.06Å; K3-Y27 HydrophobicContact CD-CD1 4.25Å; K3-Y27 HydrophobicContact CD-CD2 4.35Å; K3-Y27 HydrophobicContact CD-CE1 3.94Å; K3-Y27 HydrophobicContact CD-CE2 4.04Å; K3-Y27 HydrophobicContact CD-CG 4.44Å; K3-Y27 HydrophobicContact CG-CD1 4.43Å; K3-Y27 HydrophobicContact CG-CE1 4.28Å; K3-Y27 CarbonylContact O-C 3.57Å; K3-Y27 WeakPolarHBondContact O-CA 3.39Å; K3-R28 PolarHBondContact O-N 3.35Å; K3-F79 HydrophobicContact CB-CE2 4.12Å; K3-F79 HydrophobicContact CG-CE2 4.17Å
4	V	97.1	Very high	93.7	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.6	-178.6	-176	0	0	0	0	109.9	D2 R28 L74 V77 N78 F79	D2-V4 HydrophobicContact CB-CG2 4.25Å; D2-V4 PolarHBondContact O-N 3.25Å; V4-R28 CarbonylContact C-O 3.54Å; V4-R28 WeakPolarHBondContact CA-O 3.42Å; V4-R28 HydrophobicContact CG2-CB 4.43Å; V4-L74 HydrophobicContact CG1-CB 3.81Å; V4-L74 HydrophobicContact CG1-CD1 4.22Å; V4-L74 WeakPolarHBondContact CG2-O 3.38Å; V4-V77 HydrophobicContact CG1-CG2 4.31Å; V4-N78 PolarHBondContact N-OD1 3.32Å; V4-N78 PolarHBondContact O-N 3.15Å; V4-N78 PolarHBondContact O-OD1 3.32Å; V4-F79 PolarHBondContact O-N 3.25Å; V4-F79 VanDerWaalsContact O-N 3.07Å
5	C	98.4	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.5	178.3	-171.2	0	0	0	0	112.9	M22 Y27 R28 L29 A30 F79	C5-M22 HydrophobicContact CB-CE 3.55Å; C5-M22 HydrophobicContact CB-SD 4.39Å; C5-M22 VanDerWaalsContact SG-CE 3.56Å; C5-Y27 HydrophobicContact CB-CD1 4.42Å; C5-R28 PolarHBondContact N-O 3.22Å; C5-L29 HydrophobicContact CB-CD2 3.65Å; C5-L29 WeakPolarHBondContact O-CA 3.45Å; C5-A30 PolarHBondContact O-N 3Å; C5-F79 CarbonylContact C-O 3.55Å; C5-F79 VanDerWaalsContact CA-O 3.25Å; C5-F79 WeakPolarHBondContact CA-O 3.37Å; C5-F79 HydrophobicContact CB-CB 3.67Å
6	A	98.7	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.4	168.2	0	0	0	0	0	110.2	F8 I32 M70 V77 F79 L80 V81	A6-F8 HydrophobicContact CB-CE2 4.2Å; A6-I32 HydrophobicContact CB-CD1 4.04Å; A6-M70 HydrophobicContact CB-CE 3.78Å; A6-M70 HydrophobicContact CB-SD 3.58Å; A6-M70 VanDerWaalsContact CB-SD 3.58Å; A6-V77 HydrophobicContact CB-CG1 4Å; A6-F79 PolarHBondContact N-O 3.05Å; A6-L80 HydrophobicContact CB-CD1 3.96Å; A6-V81 PolarHBondContact O-N 2.96Å
7	I	98.9	Very high	94.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	96.1	180	-52.9	174.7	0	0	0	109.4	G10 V18 A19 M22 L29 A30 I31 I32 V81	I7-G10 PolarHBondContact O-N 3.14Å; I7-V18 HydrophobicContact CD1-CG1 4.04Å; I7-A19 VanDerWaalsContact CD1-CA 3.49Å; I7-A19 HydrophobicContact CD1-CB 3.69Å; I7-M22 HydrophobicContact CD1-SD 4.39Å; I7-L29 HydrophobicContact CD1-CD2 4.04Å; I7-A30 PolarHBondContact N-O 2.96Å; I7-I31 HydrophobicContact CD1-CD1 4.45Å; I7-I32 PolarHBondContact O-N 3.27Å; I7-V81 HydrophobicContact CB-CB 4.5Å; I7-V81 HydrophobicContact CG1-CB 4.23Å; I7-V81 HydrophobicContact CG1-CG2 4.47Å; I7-V81 HydrophobicContact CG2-CB 4.21Å; I7-V81 HydrophobicContact CG2-CG1 4.28Å
8	F	98.9	Very high	94.8	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.6	172.1	-71	-93.4	0	0	0	109.6	A6 I32 C55 V57 F67 L80 V81 A83 A84 T114	A6-F8 HydrophobicContact CB-CE2 4.2Å; F8-I32 HydrophobicContact CD1-CB 3.96Å; F8-I32 HydrophobicContact CD1-CG2 3.63Å; F8-I32 HydrophobicContact CD2-CD1 4.25Å; F8-I32 HydrophobicContact CE1-CB 4.21Å; F8-I32 HydrophobicContact CE1-CG1 4.45Å; F8-I32 HydrophobicContact CE1-CG2 3.69Å; F8-I32 HydrophobicContact CE2-CD1 4.19Å; F8-I32 HydrophobicContact CG-CB 4.34Å; F8-I32 HydrophobicContact CG-CD1 4.47Å; F8-I32 HydrophobicContact CG-CG2 4.49Å; F8-I32 HydrophobicContact CZ-CD1 4.35Å; F8-C55 HydrophobicContact CE1-CB 4.26Å; F8-V57 HydrophobicContact CB-CG1 4.16Å; F8-V57 HydrophobicContact CD1-CG1 3.43Å; F8-V57 VanDerWaalsContact CD1-CG1 3.43Å; F8-V57 HydrophobicContact CE1-CG1 4.17Å; F8-V57 HydrophobicContact CG-CG1 4.09Å; F8-F67 AromaticContact CE2-CE2 3.61Å; F8-F67 HydrophobicContact CE2-CE2 3.61Å; F8-F67 AromaticContact CE2-CZ 3.97Å; F8-F67 HydrophobicContact CE2-CZ 3.97Å; F8-F67 HydrophobicContact CZ-CD2 4.07Å; F8-F67 AromaticContact CZ-CE2 3.48Å; F8-F67 HydrophobicContact CZ-CE2 3.48Å; F8-F67 VanDerWaalsContact CZ-CE2 3.48Å; F8-F67 HydrophobicContact CZ-CZ 4.28Å; F8-L80 HydrophobicContact CD2-CD1 3.64Å; F8-L80 HydrophobicContact CE2-CD1 3.68Å; F8-V81 PolarHBondContact N-O 3.36Å; F8-A83 CarbonylContact O-C 3.56Å; F8-A83 VanDerWaalsContact O-CA 3.31Å; F8-A83 WeakPolarHBondContact O-CA 3.42Å; F8-A83 WeakPolarHBondContact O-CB 3.32Å; F8-A83 PolarHBondContact O-N 3.4Å; F8-A84 HydrophobicContact CB-CB 4.27Å; F8-A84 PolarHBondContact O-N 2.96Å; F8-T114 HydrophobicContact CD1-CG2 3.83Å; F8-T114 HydrophobicContact CD2-CG2 3.89Å; F8-T114 HydrophobicContact CE1-CG2 3.7Å; F8-T114 HydrophobicContact CE2-CG2 3.79Å; F8-T114 HydrophobicContact CG-CG2 3.92Å; F8-T114 HydrophobicContact CZ-CG2 3.7Å
9	G	98.3	Very high	95	Very high	16 Å²	16	37.7 Å²	37.7	17%	0.165	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	19.8	-168.9	0	0	0	0	0	113.4	S11 I32	G9-S11 VanDerWaalsContact C-N 3.25Å; G9-S11 PolarHBondContact O-N 3.35Å; G9-I32 WeakPolarHBondContact CA-O 3.38Å; G9-I32 PolarHBondContact N-O 3.43Å
10	G	98.3	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-6.5	-174.8	0	0	0	0	0	116	I7 R16 I32	I7-G10 PolarHBondContact O-N 3.14Å; G10-R16 VanDerWaalsContact O-CA 3.24Å; G10-R16 WeakPolarHBondContact O-CA 3.34Å; G10-R16 PolarHBondContact O-N 2.91Å; G10-I32 PolarHBondContact N-O 2.98Å
11	S	98.3	Very high	95.4	Very high	22 Å²	22	38.2 Å²	38.2	15%	0.154	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-19.4	-175.2	62.2	0	0	0	0	114.5	G9 A33 G38	G9-S11 VanDerWaalsContact C-N 3.25Å; G9-S11 PolarHBondContact O-N 3.35Å; S11-A33 VanDerWaalsContact OG-CB 3.27Å; S11-A33 WeakPolarHBondContact OG-CB 3.47Å; S11-G38 WeakPolarHBondContact CB-O 3.49Å
12	R	97.5	Very high	97.3	Very high	155 Å²	155	29.1 Å²	29.1	59%	0.585	15%	0.146	S	C	*	.	S	Bend	trans	-150.7	169.4	-177.6	62.2	177.7	68.3	-150.4	3.6	113.1	G15 R16 D184	R12-G15 PolarHBondContact O-N 3.45Å; R12-R16 PolarHBondContact O-N 3.13Å; R12-R16 VanDerWaalsContact O-N 3.17Å; R12-D184 IonicContact CZ-OD2 4Å; R12-D184 IonicContact NE-OD2 3.32Å; R12-D184 IonicContact NH1-OD2 3.32Å; R12-D184 PolarHBondContact NH1-OD2 2.97Å
13	G	97.8	Very high	98.1	Very high	27 Å²	27	23.6 Å²	23.6	28%	0.278	12%	0.119	S	C	.	.	H	α-helix	trans	54.9	-137.8	172.7	0	0	0	0	0	113.8	G15 R16 A17	G13-G15 PolarHBondContact O-N 3.04Å; G13-R16 PolarHBondContact O-N 3.38Å; G13-A17 PolarHBondContact O-N 3.06Å; G13-A17 VanDerWaalsContact O-N 3.15Å
14	I	98.6	Very high	98.3	Very high	28 Å²	28	28.9 Å²	28.9	14%	0.144	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-45.1	-178.9	-65.7	163.8	0	0	0	111.5	R16 A17 V18 V133 P178 V181 T183 T206 V209	I14-R16 VanDerWaalsContact C-N 3.27Å; I14-R16 PolarHBondContact O-N 3.34Å; I14-A17 PolarHBondContact O-N 3.22Å; I14-V18 HydrophobicContact CG2-CG2 4.23Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.34Å; I14-V18 PolarHBondContact O-N 2.95Å; I14-V133 HydrophobicContact CD1-CG1 4.27Å; I14-P178 HydrophobicContact CD1-CG 4.16Å; I14-V181 HydrophobicContact CG1-CG1 4.38Å; I14-T183 HydrophobicContact CG1-CG2 4.36Å; I14-T206 HydrophobicContact CG1-CG2 4.49Å; I14-V209 HydrophobicContact CD1-CG1 4.13Å; I14-V209 HydrophobicContact CD1-CG2 4.47Å; I14-V209 HydrophobicContact CG1-CB 4.31Å; I14-V209 HydrophobicContact CG1-CG1 4.27Å; I14-V209 HydrophobicContact CG2-CB 4.18Å; I14-V209 HydrophobicContact CG2-CG1 3.65Å
15	G	98.6	Very high	98.3	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-38.5	179.9	0	0	0	0	0	112.5	R12 G13 V18 A19	R12-G15 PolarHBondContact O-N 3.45Å; G13-G15 PolarHBondContact O-N 3.04Å; G15-V18 PolarHBondContact O-N 3.4Å; G15-A19 PolarHBondContact O-N 2.73Å
16	R	98.6	Very high	98.2	Very high	41 Å²	41	35.7 Å²	35.7	16%	0.155	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-43.3	175.3	-178.1	65.3	-165.8	-96.7	-4.4	112.8	G10 R12 G13 I14 V18 A19 Q20 A42 D45	G10-R16 VanDerWaalsContact O-CA 3.24Å; G10-R16 WeakPolarHBondContact O-CA 3.34Å; G10-R16 PolarHBondContact O-N 2.91Å; R12-R16 PolarHBondContact O-N 3.13Å; R12-R16 VanDerWaalsContact O-N 3.17Å; G13-R16 PolarHBondContact O-N 3.38Å; I14-R16 VanDerWaalsContact C-N 3.27Å; I14-R16 PolarHBondContact O-N 3.34Å; R16-V18 VanDerWaalsContact C-N 3.33Å; R16-A19 WeakPolarHBondContact O-CB 3.43Å; R16-A19 PolarHBondContact O-N 2.69Å; R16-Q20 WeakPolarHBondContact O-CG 3.25Å; R16-Q20 PolarHBondContact O-N 3.08Å; R16-A42 VanDerWaalsContact NH1-CA 3.28Å; R16-D45 IonicContact CZ-OD2 2.89Å; R16-D45 IonicContact NH1-OD2 2.7Å; R16-D45 PolarHBondContact NH1-OD2 3.1Å; R16-D45 VanDerWaalsContact NH2-CG 3.31Å; R16-D45 IonicContact NH2-OD2 2.69Å; R16-D45 PolarHBondContact NH2-OD2 2.85Å
17	A	98.8	Very high	98.1	Very high	2 Å²	2	36 Å²	36	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-38.6	176.9	0	0	0	0	0	111.7	G13 I14 Q20 L21 A210	G13-A17 PolarHBondContact O-N 3.06Å; G13-A17 VanDerWaalsContact O-N 3.15Å; I14-A17 PolarHBondContact O-N 3.22Å; A17-Q20 PolarHBondContact O-N 3.17Å; A17-L21 WeakPolarHBondContact O-CB 3.37Å; A17-L21 PolarHBondContact O-N 2.83Å; A17-A210 HydrophobicContact CB-CB 3.91Å
18	V	98.9	Very high	98	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-47.9	172.4	174.4	0	0	0	0	110.6	I7 I14 G15 R16 Q20 L21 M22 V81 A210 V213	I7-V18 HydrophobicContact CD1-CG1 4.04Å; I14-V18 HydrophobicContact CG2-CG2 4.23Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.34Å; I14-V18 PolarHBondContact O-N 2.95Å; G15-V18 PolarHBondContact O-N 3.4Å; R16-V18 VanDerWaalsContact C-N 3.33Å; V18-Q20 PolarHBondContact O-N 3.23Å; V18-L21 PolarHBondContact O-N 3.05Å; V18-M22 HydrophobicContact CG1-CG 4.17Å; V18-M22 HydrophobicContact CG1-SD 3.65Å; V18-M22 WeakPolarHBondContact O-CB 3.33Å; V18-M22 WeakPolarHBondContact O-CG 3.4Å; V18-M22 PolarHBondContact O-N 3.01Å; V18-V81 HydrophobicContact CG1-CG1 4.32Å; V18-V81 HydrophobicContact CG1-CG2 4.13Å; V18-A210 HydrophobicContact CB-CB 4.43Å; V18-A210 HydrophobicContact CG2-CB 3.84Å; V18-V213 HydrophobicContact CG1-CG1 3.92Å; V18-V213 HydrophobicContact CG2-CB 3.91Å; V18-V213 HydrophobicContact CG2-CG1 3.94Å; V18-V213 HydrophobicContact CG2-CG2 3.98Å
19	A	98.8	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-48	177.8	0	0	0	0	0	112.3	I7 G15 R16 L21 M22 A23 L29 I31 L46	I7-A19 VanDerWaalsContact CD1-CA 3.49Å; I7-A19 HydrophobicContact CD1-CB 3.69Å; G15-A19 PolarHBondContact O-N 2.73Å; R16-A19 WeakPolarHBondContact O-CB 3.43Å; R16-A19 PolarHBondContact O-N 2.69Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-L21 PolarHBondContact O-N 3.42Å; A19-M22 PolarHBondContact O-N 3.32Å; A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 3.42Å; A19-L29 HydrophobicContact CB-CD1 4.22Å; A19-L29 WeakPolarHBondContact O-CD1 3.4Å; A19-I31 HydrophobicContact CB-CD1 3.46Å; A19-I31 VanDerWaalsContact CB-CD1 3.46Å; A19-L46 HydrophobicContact CB-CD1 4.07Å
20	Q	98.6	Very high	98	Very high	71 Å²	71	39.6 Å²	39.6	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-59	-44	177	-72.6	172.6	-17.5	0	0	112.6	R16 A17 V18 R24 L46	R16-Q20 WeakPolarHBondContact O-CG 3.25Å; R16-Q20 PolarHBondContact O-N 3.08Å; A17-Q20 PolarHBondContact O-N 3.17Å; V18-Q20 PolarHBondContact O-N 3.23Å; Q20-R24 WeakPolarHBondContact O-CG 3.41Å; Q20-R24 PolarHBondContact O-N 2.96Å; Q20-L46 VanDerWaalsContact CA-CD2 3.5Å; Q20-L46 HydrophobicContact CB-CD2 4.18Å; Q20-L46 HydrophobicContact CG-CD2 3.7Å
21	L	98.6	Very high	98	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-41.1	180	-178	59.2	0	0	0	112.2	A17 V18 A19 K25 I207 A210 H211 V214	A17-L21 WeakPolarHBondContact O-CB 3.37Å; A17-L21 PolarHBondContact O-N 2.83Å; V18-L21 PolarHBondContact O-N 3.05Å; A19-L21 VanDerWaalsContact C-N 3.35Å; A19-L21 PolarHBondContact O-N 3.42Å; L21-K25 HydrophobicContact CG-CD 4.5Å; L21-K25 PolarHBondContact O-N 3.22Å; L21-I207 HydrophobicContact CB-CD1 4.31Å; L21-I207 HydrophobicContact CD2-CD1 4.42Å; L21-A210 HydrophobicContact CD2-CB 4.16Å; L21-H211 HydrophobicContact CD2-CB 4.43Å; L21-V214 HydrophobicContact CD2-CB 4.18Å; L21-V214 HydrophobicContact CD2-CG2 3.77Å; L21-V214 HydrophobicContact CG-CG2 4.1Å
22	M	98.3	Very high	98.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.1	-36.5	179.7	-69.3	-173.9	71.7	0	0	112.3	C5 I7 V18 A19 R24 K25 G26 Y27 L29 V214 L217	C5-M22 HydrophobicContact CB-CE 3.55Å; C5-M22 HydrophobicContact CB-SD 4.39Å; C5-M22 VanDerWaalsContact SG-CE 3.56Å; I7-M22 HydrophobicContact CD1-SD 4.39Å; V18-M22 HydrophobicContact CG1-CG 4.17Å; V18-M22 HydrophobicContact CG1-SD 3.65Å; V18-M22 WeakPolarHBondContact O-CB 3.33Å; V18-M22 WeakPolarHBondContact O-CG 3.4Å; V18-M22 PolarHBondContact O-N 3.01Å; A19-M22 PolarHBondContact O-N 3.32Å; M22-R24 VanDerWaalsContact C-N 3.34Å; M22-R24 PolarHBondContact O-N 2.88Å; M22-K25 CarbonylContact O-C 3.48Å; M22-K25 WeakPolarHBondContact O-CA 3.26Å; M22-K25 WeakPolarHBondContact O-CB 3.49Å; M22-K25 PolarHBondContact O-N 3.12Å; M22-G26 PolarHBondContact O-N 3.49Å; M22-Y27 HydrophobicContact CB-CD2 4.17Å; M22-Y27 HydrophobicContact CB-CG 4.14Å; M22-Y27 HydrophobicContact CE-CD1 3.22Å; M22-Y27 HydrophobicContact CE-CD2 4.17Å; M22-Y27 HydrophobicContact CE-CE1 3.45Å; M22-Y27 VanDerWaalsContact CE-CE1 3.45Å; M22-Y27 HydrophobicContact CE-CE2 4.37Å; M22-Y27 HydrophobicContact CE-CG 3.62Å; M22-Y27 WeakPolarHBondContact O-CB 3.43Å; M22-Y27 WeakPolarHBondContact O-CD2 3.4Å; M22-Y27 PolarHBondContact O-N 2.82Å; M22-Y27 VanDerWaalsContact O-N 3.13Å; M22-L29 HydrophobicContact CB-CD1 4.33Å; M22-L29 HydrophobicContact CB-CD2 3.93Å; M22-V214 HydrophobicContact CG-CG2 3.57Å; M22-V214 HydrophobicContact SD-CG2 4.31Å; M22-L217 HydrophobicContact CE-CD1 3.72Å; M22-L217 HydrophobicContact SD-CD1 3.69Å
23	A	98	Very high	98.1	Very high	19 Å²	19	31.7 Å²	31.7	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-47.4	174	0	0	0	0	0	111	A19 K25 G26 L29 L46	A19-A23 WeakPolarHBondContact O-CB 3.34Å; A19-A23 PolarHBondContact O-N 3.42Å; A23-K25 PolarHBondContact O-N 2.79Å; A23-K25 VanDerWaalsContact O-N 3.14Å; A23-G26 PolarHBondContact O-N 2.87Å; A23-L29 HydrophobicContact CB-CD1 3.81Å; A23-L46 HydrophobicContact CB-CB 4.22Å; A23-L46 HydrophobicContact CB-CD2 3.99Å; A23-L46 HydrophobicContact CB-CG 4.48Å
24	R	96.9	Very high	98.1	Very high	206 Å²	206	38.1 Å²	38.1	78%	0.777	18%	0.179	S	C	*	.	H	α-helix	trans	-60.9	-22.9	175.8	-68.5	174.1	-175.4	177.6	2.1	113.8	Q20 M22 G26	Q20-R24 WeakPolarHBondContact O-CG 3.41Å; Q20-R24 PolarHBondContact O-N 2.96Å; M22-R24 VanDerWaalsContact C-N 3.34Å; M22-R24 PolarHBondContact O-N 2.88Å; R24-G26 VanDerWaalsContact C-N 3.34Å
25	K	96.8	Very high	98.1	Very high	83 Å²	83	41.5 Å²	41.5	36%	0.361	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6.8	176.7	-76.9	169.4	157.6	-90.1	0	113.4	L21 M22 A23 Y27 V214 E218	L21-K25 HydrophobicContact CG-CD 4.5Å; L21-K25 PolarHBondContact O-N 3.22Å; M22-K25 CarbonylContact O-C 3.48Å; M22-K25 WeakPolarHBondContact O-CA 3.26Å; M22-K25 WeakPolarHBondContact O-CB 3.49Å; M22-K25 PolarHBondContact O-N 3.12Å; A23-K25 PolarHBondContact O-N 2.79Å; A23-K25 VanDerWaalsContact O-N 3.14Å; K25-Y27 HydrophobicContact CB-CD2 3.77Å; K25-Y27 HydrophobicContact CB-CE2 3.83Å; K25-V214 HydrophobicContact CD-CG1 3.7Å; K25-E218 VanDerWaalsContact NZ-CD 3.34Å; K25-E218 IonicContact NZ-OE1 2.93Å; K25-E218 PolarHBondContact NZ-OE1 3.2Å; K25-E218 IonicContact NZ-OE2 2.81Å; K25-E218 PolarHBondContact NZ-OE2 3.4Å
26	G	95.6	Very high	98.1	Very high	62 Å²	62	44.3 Å²	44.3	64%	0.639	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	22.2	177.2	0	0	0	0	0	114.3	M22 A23 R24	M22-G26 PolarHBondContact O-N 3.49Å; A23-G26 PolarHBondContact O-N 2.87Å; R24-G26 VanDerWaalsContact C-N 3.34Å
27	Y	97.3	Very high	98	Very high	7 Å²	7	48 Å²	48	3%	0.027	23%	0.23	C	C	.	.			trans	-79	141.1	170.4	-71.7	-107.4	0	0	0	109.9	K3 C5 M22 K25 H50 F79 E218	K3-Y27 HydrophobicContact CB-CD1 3.58Å; K3-Y27 HydrophobicContact CB-CE1 3.89Å; K3-Y27 HydrophobicContact CB-CG 4.06Å; K3-Y27 HydrophobicContact CD-CD1 4.25Å; K3-Y27 HydrophobicContact CD-CD2 4.35Å; K3-Y27 HydrophobicContact CD-CE1 3.94Å; K3-Y27 HydrophobicContact CD-CE2 4.04Å; K3-Y27 HydrophobicContact CD-CG 4.44Å; K3-Y27 HydrophobicContact CG-CD1 4.43Å; K3-Y27 HydrophobicContact CG-CE1 4.28Å; K3-Y27 CarbonylContact O-C 3.57Å; K3-Y27 WeakPolarHBondContact O-CA 3.39Å; C5-Y27 HydrophobicContact CB-CD1 4.42Å; M22-Y27 HydrophobicContact CB-CD2 4.17Å; M22-Y27 HydrophobicContact CB-CG 4.14Å; M22-Y27 HydrophobicContact CE-CD1 3.22Å; M22-Y27 HydrophobicContact CE-CD2 4.17Å; M22-Y27 HydrophobicContact CE-CE1 3.45Å; M22-Y27 VanDerWaalsContact CE-CE1 3.45Å; M22-Y27 HydrophobicContact CE-CE2 4.37Å; M22-Y27 HydrophobicContact CE-CG 3.62Å; M22-Y27 WeakPolarHBondContact O-CB 3.43Å; M22-Y27 WeakPolarHBondContact O-CD2 3.4Å; M22-Y27 PolarHBondContact O-N 2.82Å; M22-Y27 VanDerWaalsContact O-N 3.13Å; K25-Y27 HydrophobicContact CB-CD2 3.77Å; K25-Y27 HydrophobicContact CB-CE2 3.83Å; Y27-H50 PolarHBondContact O-CE1 2.75Å; Y27-F79 HydrophobicContact CD1-CD2 4.04Å; Y27-F79 HydrophobicContact CD1-CE2 4.32Å; Y27-F79 HydrophobicContact CD1-CG 4.46Å; Y27-F79 HydrophobicContact CE1-CD1 4.18Å; Y27-F79 AromaticContact CE1-CD2 3.69Å; Y27-F79 HydrophobicContact CE1-CD2 3.69Å; Y27-F79 HydrophobicContact CE1-CE1 4.15Å; Y27-F79 AromaticContact CE1-CE2 3.67Å; Y27-F79 HydrophobicContact CE1-CE2 3.67Å; Y27-F79 AromaticContact CE1-CG 3.98Å; Y27-F79 HydrophobicContact CE1-CG 3.98Å; Y27-F79 AromaticContact CE1-CZ 3.91Å; Y27-F79 HydrophobicContact CE1-CZ 3.91Å; Y27-E218 WeakPolarHBondContact OH-CG 3.5Å; Y27-E218 PolarHBondContact OH-OE1 3.18Å
28	R	97.4	Very high	98	Very high	91 Å²	91	49.1 Å²	49.1	34%	0.343	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.9	166.8	-164	176.3	-172.6	-161.6	-5.2	108.5	K3 V4 C5 D49 H73 L74	K3-R28 PolarHBondContact O-N 3.35Å; V4-R28 CarbonylContact C-O 3.54Å; V4-R28 WeakPolarHBondContact CA-O 3.42Å; V4-R28 HydrophobicContact CG2-CB 4.43Å; C5-R28 PolarHBondContact N-O 3.22Å; R28-D49 PolarHBondContact NE-O 3.33Å; R28-H73 PolarHBondContact NH1-O 2.81Å; R28-H73 PolarHBondContact NH2-O 2.89Å; R28-L74 HydrophobicContact CG-CD2 4.04Å; R28-L74 VanDerWaalsContact CZ-CD2 3.5Å; R28-L74 VanDerWaalsContact NE-CD2 3.31Å; R28-L74 PolarHBondContact NH1-O 2.93Å
29	L	98.5	Very high	98	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.1	-166.8	-58.2	178	0	0	0	112.4	C5 I7 A19 M22 A23 I31 L46 H50 L51	C5-L29 HydrophobicContact CB-CD2 3.65Å; C5-L29 WeakPolarHBondContact O-CA 3.45Å; I7-L29 HydrophobicContact CD1-CD2 4.04Å; A19-L29 HydrophobicContact CB-CD1 4.22Å; A19-L29 WeakPolarHBondContact O-CD1 3.4Å; M22-L29 HydrophobicContact CB-CD1 4.33Å; M22-L29 HydrophobicContact CB-CD2 3.93Å; A23-L29 HydrophobicContact CB-CD1 3.81Å; L29-I31 HydrophobicContact CB-CD1 4.11Å; L29-L46 HydrophobicContact CD1-CD1 3.95Å; L29-H50 HydrophobicContact CB-CB 4.4Å; L29-H50 PolarHBondContact N-ND1 2.92Å; L29-H50 WeakPolarHBondContact O-CA 3.25Å; L29-L51 PolarHBondContact O-N 3.43Å
30	A	98.6	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.3	157	0	0	0	0	0	109.1	C5 I7 I32 L51 F53 M70 L74	C5-A30 PolarHBondContact O-N 3Å; I7-A30 PolarHBondContact N-O 2.96Å; A30-I32 HydrophobicContact CB-CD1 3.8Å; A30-I32 HydrophobicContact CB-CG1 4.4Å; A30-I32 VanDerWaalsContact O-CD1 3.3Å; A30-I32 WeakPolarHBondContact O-CD1 3.5Å; A30-L51 CarbonylContact C-O 3.57Å; A30-L51 WeakPolarHBondContact CA-O 3.3Å; A30-F53 HydrophobicContact CB-CD2 3.85Å; A30-F53 HydrophobicContact CB-CE2 3.71Å; A30-M70 HydrophobicContact CB-CG 3.92Å; A30-M70 HydrophobicContact CB-SD 3.3Å; A30-M70 WeakPolarHBondContact CB-SD 3.42Å; A30-L74 HydrophobicContact CB-CD1 3.62Å
31	I	98.8	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.7	175	-52.2	-53.1	0	0	0	108.2	I7 A19 L29 A39 A42 A43 L46 L51 A52 F53	I7-I31 HydrophobicContact CD1-CD1 4.45Å; A19-I31 HydrophobicContact CB-CD1 3.46Å; A19-I31 VanDerWaalsContact CB-CD1 3.46Å; L29-I31 HydrophobicContact CB-CD1 4.11Å; I31-A39 HydrophobicContact CG2-CB 4.33Å; I31-A42 HydrophobicContact CG2-CB 3.95Å; I31-A43 HydrophobicContact CB-CB 4.3Å; I31-A43 HydrophobicContact CG1-CB 3.91Å; I31-L46 HydrophobicContact CD1-CD1 3.83Å; I31-L46 HydrophobicContact CG1-CD1 4.03Å; I31-L51 PolarHBondContact N-O 3.18Å; I31-A52 CarbonylContact O-C 3.56Å; I31-A52 VanDerWaalsContact O-CA 3.28Å; I31-A52 WeakPolarHBondContact O-CA 3.44Å; I31-F53 PolarHBondContact O-N 3.41Å
32	I	98.8	Very high	98	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.7	-174.3	-52.2	104.2	0	0	0	110.8	A6 I7 F8 G9 G10 A30 F53 C55 T66	A6-I32 HydrophobicContact CB-CD1 4.04Å; I7-I32 PolarHBondContact O-N 3.27Å; F8-I32 HydrophobicContact CD1-CB 3.96Å; F8-I32 HydrophobicContact CD1-CG2 3.63Å; F8-I32 HydrophobicContact CD2-CD1 4.25Å; F8-I32 HydrophobicContact CE1-CB 4.21Å; F8-I32 HydrophobicContact CE1-CG1 4.45Å; F8-I32 HydrophobicContact CE1-CG2 3.69Å; F8-I32 HydrophobicContact CE2-CD1 4.19Å; F8-I32 HydrophobicContact CG-CB 4.34Å; F8-I32 HydrophobicContact CG-CD1 4.47Å; F8-I32 HydrophobicContact CG-CG2 4.49Å; F8-I32 HydrophobicContact CZ-CD1 4.35Å; G9-I32 WeakPolarHBondContact CA-O 3.38Å; G9-I32 PolarHBondContact N-O 3.43Å; G10-I32 PolarHBondContact N-O 2.98Å; A30-I32 HydrophobicContact CB-CD1 3.8Å; A30-I32 HydrophobicContact CB-CG1 4.4Å; A30-I32 VanDerWaalsContact O-CD1 3.3Å; A30-I32 WeakPolarHBondContact O-CD1 3.5Å; I32-F53 WeakPolarHBondContact CA-O 3.45Å; I32-F53 HydrophobicContact CG1-CB 4.1Å; I32-F53 HydrophobicContact CG1-CD2 4.36Å; I32-C55 HydrophobicContact CG2-CB 3.3Å; I32-T66 HydrophobicContact CG1-CG2 4.24Å; I32-T66 HydrophobicContact CG2-CG2 4.24Å
33	A	98.5	Very high	98	Very high	11 Å²	11	52.6 Å²	52.6	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	167.5	171.8	0	0	0	0	0	111	S11 N35 A39 F53 S54 C55	S11-A33 VanDerWaalsContact OG-CB 3.27Å; S11-A33 WeakPolarHBondContact OG-CB 3.47Å; A33-N35 VanDerWaalsContact C-N 3.33Å; A33-N35 PolarHBondContact O-N 2.98Å; A33-A39 HydrophobicContact CB-CB 4.28Å; A33-F53 PolarHBondContact N-O 3.22Å; A33-S54 VanDerWaalsContact O-CA 3.29Å; A33-S54 WeakPolarHBondContact O-CA 3.42Å; A33-C55 CarbonylContact C-O 3.53Å; A33-C55 PolarHBondContact O-N 3.48Å
34	R	97.6	Very high	97.9	Very high	163 Å²	163	54.3 Å²	54.3	62%	0.615	29%	0.287	S	S	*	.	S	Bend	trans	-65.9	-34.1	174.4	-67.7	-178.1	-62.2	169.3	2	113.3	S54 C55 D56	R34-S54 PolarHBondContact O-OG 2.87Å; R34-C55 WeakPolarHBondContact CG-O 3.36Å; R34-C55 PolarHBondContact N-O 3.46Å; R34-D56 HydrophobicContact CG-CB 4.16Å
35	N	97.8	Very high	97.9	Very high	99 Å²	99	49.8 Å²	49.8	53%	0.529	28%	0.278	S	S	.	.	S	Bend	trans	-93.4	107.2	176.9	-177.6	-60.9	0	0	0	108.6	A33 E37 G38 A39	A33-N35 VanDerWaalsContact C-N 3.33Å; A33-N35 PolarHBondContact O-N 2.98Å; N35-E37 PolarHBondContact O-N 3.27Å; N35-E37 PolarHBondContact OD1-N 3.36Å; N35-G38 PolarHBondContact O-N 2.89Å; N35-G38 PolarHBondContact OD1-N 2.94Å; N35-A39 PolarHBondContact O-N 3.07Å; N35-A39 VanDerWaalsContact O-N 3.11Å
36	L	98.4	Very high	98	Very high	60 Å²	60	47.4 Å²	47.4	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-42.3	-177.1	-178	56.8	0	0	0	112.5	G38 A39 K40	L36-G38 VanDerWaalsContact C-N 3.34Å; L36-G38 PolarHBondContact O-N 3.25Å; L36-A39 CarbonylContact O-C 3.35Å; L36-A39 WeakPolarHBondContact O-CB 3.42Å; L36-A39 PolarHBondContact O-N 3.46Å; L36-A39 VanDerWaalsContact O-N 3.1Å; L36-K40 HydrophobicContact CD1-CG 4.2Å; L36-K40 HydrophobicContact CG-CD 4.18Å; L36-K40 HydrophobicContact CG-CG 4.3Å; L36-K40 WeakPolarHBondContact O-CG 3.42Å; L36-K40 PolarHBondContact O-N 2.95Å
37	E	98.3	Very high	97.7	Very high	118 Å²	118	46.2 Å²	46.2	55%	0.551	26%	0.257	S	S	*	.	H	α-helix	trans	-64.6	-39.9	-178.2	-64.5	-53	122.6	0	0	111.7	N35 A39 K40 A41	N35-E37 PolarHBondContact O-N 3.27Å; N35-E37 PolarHBondContact OD1-N 3.36Å; E37-A39 VanDerWaalsContact C-N 3.33Å; E37-A39 PolarHBondContact O-N 2.89Å; E37-K40 PolarHBondContact O-N 3.48Å; E37-K40 IonicContact OE1-NZ 3.05Å; E37-K40 PolarHBondContact OE1-NZ 3.29Å; E37-A41 WeakPolarHBondContact O-CB 3.12Å; E37-A41 PolarHBondContact O-N 3.12Å
38	G	98.3	Very high	97.1	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-35.3	172.2	0	0	0	0	0	113	S11 N35 L36 A42	S11-G38 WeakPolarHBondContact CB-O 3.49Å; N35-G38 PolarHBondContact O-N 2.89Å; N35-G38 PolarHBondContact OD1-N 2.94Å; L36-G38 VanDerWaalsContact C-N 3.34Å; L36-G38 PolarHBondContact O-N 3.25Å; G38-A42 VanDerWaalsContact O-CB 3.3Å; G38-A42 WeakPolarHBondContact O-CB 3.32Å; G38-A42 PolarHBondContact O-N 3.4Å; G38-A42 VanDerWaalsContact O-N 3.12Å
39	A	98.6	Very high	96.7	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-42.9	173.4	0	0	0	0	0	111.7	I31 A33 N35 L36 E37 A42 A43 A52	I31-A39 HydrophobicContact CG2-CB 4.33Å; A33-A39 HydrophobicContact CB-CB 4.28Å; N35-A39 PolarHBondContact O-N 3.07Å; N35-A39 VanDerWaalsContact O-N 3.11Å; L36-A39 CarbonylContact O-C 3.35Å; L36-A39 WeakPolarHBondContact O-CB 3.42Å; L36-A39 PolarHBondContact O-N 3.46Å; L36-A39 VanDerWaalsContact O-N 3.1Å; E37-A39 VanDerWaalsContact C-N 3.33Å; E37-A39 PolarHBondContact O-N 2.89Å; A39-A42 PolarHBondContact O-N 2.82Å; A39-A43 PolarHBondContact O-N 2.91Å; A39-A52 VanDerWaalsContact C-CB 3.4Å; A39-A52 HydrophobicContact CB-CB 3.93Å; A39-A52 WeakPolarHBondContact O-CB 3.32Å
40	K	98.4	Very high	96.7	Very high	98 Å²	98	52.6 Å²	52.6	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-47	176.8	-75.4	175.9	-178.5	164.4	0	112	L36 E37 A42 A43 G44 A52	L36-K40 HydrophobicContact CD1-CG 4.2Å; L36-K40 HydrophobicContact CG-CD 4.18Å; L36-K40 HydrophobicContact CG-CG 4.3Å; L36-K40 WeakPolarHBondContact O-CG 3.42Å; L36-K40 PolarHBondContact O-N 2.95Å; E37-K40 PolarHBondContact O-N 3.48Å; E37-K40 IonicContact OE1-NZ 3.05Å; E37-K40 PolarHBondContact OE1-NZ 3.29Å; K40-A42 VanDerWaalsContact C-N 3.27Å; K40-A42 PolarHBondContact O-N 2.95Å; K40-A43 PolarHBondContact O-N 3.46Å; K40-G44 PolarHBondContact O-N 3.5Å; K40-A52 HydrophobicContact CB-CB 4.31Å; K40-A52 HydrophobicContact CG-CB 3.91Å
41	A	98.3	Very high	96.6	Very high	53 Å²	53	55.5 Å²	55.5	44%	0.438	33%	0.329	S	S	.	.	H	α-helix	trans	-57.2	-46.1	174.5	0	0	0	0	0	110.4	E37 A43 G44 D45	E37-A41 WeakPolarHBondContact O-CB 3.12Å; E37-A41 PolarHBondContact O-N 3.12Å; A41-A43 PolarHBondContact O-N 3.41Å; A41-G44 PolarHBondContact O-N 3.32Å; A41-D45 WeakPolarHBondContact O-CB 3.5Å; A41-D45 PolarHBondContact O-N 2.8Å
42	A	98.4	Very high	96.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.5	-35.8	178.2	0	0	0	0	0	114.4	R16 I31 G38 A39 K40 L46	R16-A42 VanDerWaalsContact NH1-CA 3.28Å; I31-A42 HydrophobicContact CG2-CB 3.95Å; G38-A42 VanDerWaalsContact O-CB 3.3Å; G38-A42 WeakPolarHBondContact O-CB 3.32Å; G38-A42 PolarHBondContact O-N 3.4Å; G38-A42 VanDerWaalsContact O-N 3.12Å; A39-A42 PolarHBondContact O-N 2.82Å; K40-A42 VanDerWaalsContact C-N 3.27Å; K40-A42 PolarHBondContact O-N 2.95Å; A42-L46 VanDerWaalsContact O-CG 3.25Å; A42-L46 WeakPolarHBondContact O-CG 3.43Å
43	A	98.2	Very high	96.6	Very high	7 Å²	7	57.3 Å²	57.3	6%	0.058	34%	0.342	C	S	.	.	H	α-helix	trans	-72.2	-42.5	173.6	0	0	0	0	0	112.1	I31 A39 K40 A41 D45 L46 A52	I31-A43 HydrophobicContact CB-CB 4.3Å; I31-A43 HydrophobicContact CG1-CB 3.91Å; A39-A43 PolarHBondContact O-N 2.91Å; K40-A43 PolarHBondContact O-N 3.46Å; A41-A43 PolarHBondContact O-N 3.41Å; A43-D45 VanDerWaalsContact C-N 3.34Å; A43-D45 PolarHBondContact O-N 3.47Å; A43-L46 WeakPolarHBondContact O-CB 3.47Å; A43-L46 PolarHBondContact O-N 3.11Å; A43-L46 VanDerWaalsContact O-N 3.08Å; A43-A52 HydrophobicContact CB-CB 3.95Å
44	G	97.6	Very high	96.6	Very high	55 Å²	55	59.9 Å²	59.9	57%	0.567	36%	0.359	S	S	*	.	H	α-helix	trans	-60.9	-40.9	179.4	0	0	0	0	0	112.8	K40 A41 L46 G47	K40-G44 PolarHBondContact O-N 3.5Å; A41-G44 PolarHBondContact O-N 3.32Å; G44-L46 PolarHBondContact O-N 3.44Å; G44-G47 PolarHBondContact O-N 3.41Å
45	D	97.2	Very high	96.7	Very high	112 Å²	112	52.2 Å²	52.2	60%	0.599	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.1	176	-70.6	-17.6	0	0	0	114	R16 A41 A43	R16-D45 IonicContact CZ-OD2 2.89Å; R16-D45 IonicContact NH1-OD2 2.7Å; R16-D45 PolarHBondContact NH1-OD2 3.1Å; R16-D45 VanDerWaalsContact NH2-CG 3.31Å; R16-D45 IonicContact NH2-OD2 2.69Å; R16-D45 PolarHBondContact NH2-OD2 2.85Å; A41-D45 WeakPolarHBondContact O-CB 3.5Å; A41-D45 PolarHBondContact O-N 2.8Å; A43-D45 VanDerWaalsContact C-N 3.34Å; A43-D45 PolarHBondContact O-N 3.47Å
46	L	97.1	Very high	96.7	Very high	33 Å²	33	49 Å²	49	17%	0.173	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-20.5	177.2	-58.6	168.9	0	0	0	111.6	A19 Q20 A23 L29 I31 A42 A43 G44 H50	A19-L46 HydrophobicContact CB-CD1 4.07Å; Q20-L46 VanDerWaalsContact CA-CD2 3.5Å; Q20-L46 HydrophobicContact CB-CD2 4.18Å; Q20-L46 HydrophobicContact CG-CD2 3.7Å; A23-L46 HydrophobicContact CB-CB 4.22Å; A23-L46 HydrophobicContact CB-CD2 3.99Å; A23-L46 HydrophobicContact CB-CG 4.48Å; L29-L46 HydrophobicContact CD1-CD1 3.95Å; I31-L46 HydrophobicContact CD1-CD1 3.83Å; I31-L46 HydrophobicContact CG1-CD1 4.03Å; A42-L46 VanDerWaalsContact O-CG 3.25Å; A42-L46 WeakPolarHBondContact O-CG 3.43Å; A43-L46 WeakPolarHBondContact O-CB 3.47Å; A43-L46 PolarHBondContact O-N 3.11Å; A43-L46 VanDerWaalsContact O-N 3.08Å; G44-L46 PolarHBondContact O-N 3.44Å; L46-H50 WeakPolarHBondContact CB-CD2 3.25Å
47	G	90.1	Very high	96.7	Very high	37 Å²	37	46.7 Å²	46.7	38%	0.381	30%	0.301	S	S	.	.			trans	71.1	-177.7	-172.8	0	0	0	0	0	113.8	G44 H50	G44-G47 PolarHBondContact O-N 3.41Å; G47-H50 PolarHBondContact O-CD2 2.82Å
48	G	84.7	Confident	96.7	Very high	74 Å²	74	42.3 Å²	42.3	76%	0.763	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	-153	173.4	0	0	0	0	0	115.2	H50	G48-H50 VanDerWaalsContact C-N 3.29Å; G48-H50 PolarHBondContact O-N 2.93Å
49	D	88.8	Confident	96.7	Very high	123 Å²	123	46.1 Å²	46.1	66%	0.658	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	36	-171.4	-58.8	-43.1	0	0	0	113.7	R28	R28-D49 PolarHBondContact NE-O 3.33Å
50	H	97.7	Very high	96.7	Very high	34 Å²	34	49.9 Å²	49.9	16%	0.157	31%	0.312	C	S	.	.			trans	-84	139.2	174.7	-57.5	-34.9	0	0	0	110.6	Y27 L29 L46 G47 G48	Y27-H50 PolarHBondContact O-CE1 2.75Å; L29-H50 HydrophobicContact CB-CB 4.4Å; L29-H50 PolarHBondContact N-ND1 2.92Å; L29-H50 WeakPolarHBondContact O-CA 3.25Å; L46-H50 WeakPolarHBondContact CB-CD2 3.25Å; G47-H50 PolarHBondContact O-CD2 2.82Å; G48-H50 VanDerWaalsContact C-N 3.29Å; G48-H50 PolarHBondContact O-N 2.93Å
51	L	98.1	Very high	96.7	Very high	61 Å²	61	51.6 Å²	51.6	32%	0.319	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.4	-177.4	-65.4	-178.8	0	0	0	111.7	L29 A30 I31 F53 H73 L74	L29-L51 PolarHBondContact O-N 3.43Å; A30-L51 CarbonylContact C-O 3.57Å; A30-L51 WeakPolarHBondContact CA-O 3.3Å; I31-L51 PolarHBondContact N-O 3.18Å; L51-F53 HydrophobicContact CB-CE2 3.64Å; L51-F53 HydrophobicContact CB-CZ 3.89Å; L51-F53 HydrophobicContact CD1-CZ 4.13Å; L51-H73 HydrophobicContact CD1-CB 3.49Å; L51-H73 VanDerWaalsContact CD1-CB 3.49Å; L51-L74 HydrophobicContact CB-CD2 4.13Å; L51-L74 HydrophobicContact CD1-CD2 3.48Å; L51-L74 VanDerWaalsContact CD1-CD2 3.48Å; L51-L74 HydrophobicContact CD1-CG 3.99Å; L51-L74 HydrophobicContact CG-CD2 3.7Å; L51-L74 HydrophobicContact CG-CG 4.48Å
52	A	98.6	Very high	96.7	Very high	23 Å²	23	51.8 Å²	51.8	19%	0.19	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.3	178.7	0	0	0	0	0	111	I31 A39 K40 A43	I31-A52 CarbonylContact O-C 3.56Å; I31-A52 VanDerWaalsContact O-CA 3.28Å; I31-A52 WeakPolarHBondContact O-CA 3.44Å; A39-A52 VanDerWaalsContact C-CB 3.4Å; A39-A52 HydrophobicContact CB-CB 3.93Å; A39-A52 WeakPolarHBondContact O-CB 3.32Å; K40-A52 HydrophobicContact CB-CB 4.31Å; K40-A52 HydrophobicContact CG-CB 3.91Å; A43-A52 HydrophobicContact CB-CB 3.95Å
53	F	98.6	Very high	96.8	Very high	16 Å²	16	51.8 Å²	51.8	7%	0.07	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.1	-178.9	-57.5	-91.2	0	0	0	111.2	A30 I31 I32 A33 L51 T66 E69 M70 L74	A30-F53 HydrophobicContact CB-CD2 3.85Å; A30-F53 HydrophobicContact CB-CE2 3.71Å; I31-F53 PolarHBondContact O-N 3.41Å; I32-F53 WeakPolarHBondContact CA-O 3.45Å; I32-F53 HydrophobicContact CG1-CB 4.1Å; I32-F53 HydrophobicContact CG1-CD2 4.36Å; A33-F53 PolarHBondContact N-O 3.22Å; L51-F53 HydrophobicContact CB-CE2 3.64Å; L51-F53 HydrophobicContact CB-CZ 3.89Å; L51-F53 HydrophobicContact CD1-CZ 4.13Å; F53-T66 HydrophobicContact CB-CG2 3.85Å; F53-T66 HydrophobicContact CG-CG2 4.31Å; F53-E69 HydrophobicContact CD1-CB 4.34Å; F53-E69 HydrophobicContact CE1-CB 4.07Å; F53-M70 HydrophobicContact CE1-CB 4.43Å; F53-M70 HydrophobicContact CE2-CB 4.15Å; F53-M70 HydrophobicContact CE2-CG 4.3Å; F53-M70 HydrophobicContact CZ-CB 4.03Å; F53-M70 HydrophobicContact CZ-CG 4.5Å; F53-L74 HydrophobicContact CE2-CD1 4.45Å
54	S	98.6	Very high	96.7	Very high	64 Å²	64	55 Å²	55	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.2	173.3	-170.1	0	0	0	0	109.7	A33 R34	A33-S54 VanDerWaalsContact O-CA 3.29Å; A33-S54 WeakPolarHBondContact O-CA 3.42Å; R34-S54 PolarHBondContact O-OG 2.87Å
55	C	98.8	Very high	96.8	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.02	32%	0.322	C	S	.	.			trans	-152.8	136.5	177	-171.2	0	0	0	0	111.4	F8 I32 A33 R34 T66	F8-C55 HydrophobicContact CE1-CB 4.26Å; I32-C55 HydrophobicContact CG2-CB 3.3Å; A33-C55 CarbonylContact C-O 3.53Å; A33-C55 PolarHBondContact O-N 3.48Å; R34-C55 WeakPolarHBondContact CG-O 3.36Å; R34-C55 PolarHBondContact N-O 3.46Å; C55-T66 HydrophobicContact CB-CG2 4.17Å; C55-T66 WeakPolarHBondContact CB-OG1 3.44Å; C55-T66 PolarHBondContact SG-OG1 3.5Å; C55-T66 VanDerWaalsContact SG-OG1 3.41Å
56	D	98.7	Very high	96.8	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.171	30%	0.296	C	S	.	.			trans	-97.2	109.5	161.8	-167.8	-12.7	0	0	0	110	R34 A58 K59	R34-D56 HydrophobicContact CG-CB 4.16Å; D56-A58 PolarHBondContact O-N 3.45Å; D56-A58 VanDerWaalsContact O-N 3.07Å; D56-A58 WeakPolarHBondContact OD1-CB 3.28Å; D56-A58 PolarHBondContact OD1-N 2.84Å; D56-A58 VanDerWaalsContact OD1-N 3.15Å; D56-K59 HydrophobicContact CB-CD 4.08Å; D56-K59 HydrophobicContact CB-CG 4.19Å; D56-K59 PolarHBondContact O-N 3.39Å
57	V	98.6	Very high	96.9	Very high	10 Å²	10	50 Å²	50	6%	0.061	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.3	-177.9	-62.8	0	0	0	0	113	F8 K59 A84 T106 G110 T114	F8-V57 HydrophobicContact CB-CG1 4.16Å; F8-V57 HydrophobicContact CD1-CG1 3.43Å; F8-V57 VanDerWaalsContact CD1-CG1 3.43Å; F8-V57 HydrophobicContact CE1-CG1 4.17Å; F8-V57 HydrophobicContact CG-CG1 4.09Å; V57-K59 PolarHBondContact O-N 3.16Å; V57-A84 HydrophobicContact CG1-CB 4.13Å; V57-A84 HydrophobicContact CG2-CB 4.16Å; V57-T106 HydrophobicContact CG2-CG2 4.15Å; V57-G110 WeakPolarHBondContact O-CA 3.45Å; V57-T114 HydrophobicContact CB-CG2 4.49Å; V57-T114 HydrophobicContact CG1-CG2 4.06Å
58	A	98.4	Very high	97.2	Very high	26 Å²	26	52.7 Å²	52.7	22%	0.215	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.1	176.9	0	0	0	0	0	113.5	D56 H105	D56-A58 PolarHBondContact O-N 3.45Å; D56-A58 VanDerWaalsContact O-N 3.07Å; D56-A58 WeakPolarHBondContact OD1-CB 3.28Å; D56-A58 PolarHBondContact OD1-N 2.84Å; D56-A58 VanDerWaalsContact OD1-N 3.15Å; A58-H105 HydrophobicContact CB-CB 4.09Å
59	K	98.6	Very high	97.7	Very high	108 Å²	108	54 Å²	54	47%	0.47	28%	0.278	S	S	.	.			trans	-113.8	117.1	-176.7	-59.7	-178.5	-169.5	171	0	110.7	D56 V57 H61 D62 V63	D56-K59 HydrophobicContact CB-CD 4.08Å; D56-K59 HydrophobicContact CB-CG 4.19Å; D56-K59 PolarHBondContact O-N 3.39Å; V57-K59 PolarHBondContact O-N 3.16Å; K59-H61 PolarHBondContact O-N 2.89Å; K59-D62 HydrophobicContact CB-CB 3.99Å; K59-D62 PolarHBondContact O-N 3.43Å; K59-V63 WeakPolarHBondContact O-CG2 3.3Å; K59-V63 PolarHBondContact O-N 3.05Å; K59-V63 VanDerWaalsContact O-N 3.16Å
60	E	98.4	Very high	98.1	Very high	78 Å²	78	48.1 Å²	48.1	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-60.2	-44.1	-175.7	178.5	166	-155.1	0	0	113.2	V63 Q64 L113 K116	E60-V63 PolarHBondContact O-N 3.19Å; E60-Q64 HydrophobicContact CG-CG 4.39Å; E60-Q64 WeakPolarHBondContact O-CG 3.3Å; E60-Q64 PolarHBondContact O-N 3.48Å; E60-Q64 PolarHBondContact OE1-NE2 2.86Å; E60-L113 HydrophobicContact CB-CD1 4.16Å; E60-L113 HydrophobicContact CB-CD2 4.01Å; E60-L113 HydrophobicContact CG-CD2 4Å; E60-K116 IonicContact OE1-NZ 3.03Å; E60-K116 PolarHBondContact OE1-NZ 3.17Å
61	H	98.3	Very high	97.9	Very high	135 Å²	135	49.7 Å²	49.7	63%	0.625	25%	0.254	S	S	*	.	H	α-helix	trans	-63.4	-41.9	178.6	-76.5	-63.3	0	0	0	112.7	K59 V63 Q64 N65	K59-H61 PolarHBondContact O-N 2.89Å; H61-V63 VanDerWaalsContact C-N 3.3Å; H61-V63 PolarHBondContact O-N 3.41Å; H61-Q64 PolarHBondContact O-N 3.31Å; H61-N65 WeakPolarHBondContact O-CB 3.2Å; H61-N65 VanDerWaalsContact O-CG 3.26Å; H61-N65 PolarHBondContact O-N 3.03Å; H61-N65 PolarHBondContact O-ND2 3.18Å
62	D	98.4	Very high	97.7	Very high	56 Å²	56	54.3 Å²	54.3	30%	0.299	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-43.3	176	-67.1	29.4	0	0	0	110.7	K59 T66	K59-D62 HydrophobicContact CB-CB 3.99Å; K59-D62 PolarHBondContact O-N 3.43Å; D62-T66 VanDerWaalsContact O-CB 3.28Å; D62-T66 WeakPolarHBondContact O-CB 3.41Å; D62-T66 PolarHBondContact O-N 3.45Å; D62-T66 PolarHBondContact O-OG1 2.97Å
63	V	98.7	Very high	97.5	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-48.1	178	173.9	0	0	0	0	111.1	K59 E60 H61 T66 F67 L113 T114 A117	K59-V63 WeakPolarHBondContact O-CG2 3.3Å; K59-V63 PolarHBondContact O-N 3.05Å; K59-V63 VanDerWaalsContact O-N 3.16Å; E60-V63 PolarHBondContact O-N 3.19Å; H61-V63 VanDerWaalsContact C-N 3.3Å; H61-V63 PolarHBondContact O-N 3.41Å; V63-T66 PolarHBondContact O-N 3.36Å; V63-F67 HydrophobicContact CG1-CD2 4.09Å; V63-F67 HydrophobicContact CG1-CE2 4.21Å; V63-F67 WeakPolarHBondContact O-CD2 3.36Å; V63-F67 PolarHBondContact O-N 3.4Å; V63-F67 VanDerWaalsContact O-N 3.07Å; V63-L113 HydrophobicContact CG2-CB 4.42Å; V63-T114 HydrophobicContact CG1-CG2 3.95Å; V63-T114 HydrophobicContact CG2-CG2 4.15Å; V63-A117 HydrophobicContact CG1-CB 3.87Å
64	Q	97.7	Very high	97.3	Very high	73 Å²	73	58 Å²	58	34%	0.341	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-51.1	179.8	-71.6	173.6	-0.9	0	0	111.5	E60 H61 T66 F67 E68	E60-Q64 HydrophobicContact CG-CG 4.39Å; E60-Q64 WeakPolarHBondContact O-CG 3.3Å; E60-Q64 PolarHBondContact O-N 3.48Å; E60-Q64 PolarHBondContact OE1-NE2 2.86Å; H61-Q64 PolarHBondContact O-N 3.31Å; Q64-T66 VanDerWaalsContact C-N 3.31Å; Q64-T66 PolarHBondContact O-N 3.12Å; Q64-F67 PolarHBondContact O-N 3.3Å; Q64-E68 PolarHBondContact O-N 3.49Å
65	N	97.9	Very high	97	Very high	82 Å²	82	56.4 Å²	56.4	44%	0.439	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-40.4	179.7	-68.5	-12.5	0	0	0	111.7	H61 F67 E68 E69	H61-N65 WeakPolarHBondContact O-CB 3.2Å; H61-N65 VanDerWaalsContact O-CG 3.26Å; H61-N65 PolarHBondContact O-N 3.03Å; H61-N65 PolarHBondContact O-ND2 3.18Å; N65-F67 VanDerWaalsContact C-N 3.34Å; N65-F67 PolarHBondContact O-N 2.94Å; N65-E68 PolarHBondContact O-N 3.49Å; N65-E69 WeakPolarHBondContact O-CG 3.34Å; N65-E69 PolarHBondContact O-N 2.94Å
66	T	98.4	Very high	96.7	Very high	6 Å²	6	62.7 Å²	62.7	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-41.1	177.5	-59.2	0	0	0	0	111.8	I32 F53 C55 D62 V63 Q64 M70	I32-T66 HydrophobicContact CG1-CG2 4.24Å; I32-T66 HydrophobicContact CG2-CG2 4.24Å; F53-T66 HydrophobicContact CB-CG2 3.85Å; F53-T66 HydrophobicContact CG-CG2 4.31Å; C55-T66 HydrophobicContact CB-CG2 4.17Å; C55-T66 WeakPolarHBondContact CB-OG1 3.44Å; C55-T66 PolarHBondContact SG-OG1 3.5Å; C55-T66 VanDerWaalsContact SG-OG1 3.41Å; D62-T66 VanDerWaalsContact O-CB 3.28Å; D62-T66 WeakPolarHBondContact O-CB 3.41Å; D62-T66 PolarHBondContact O-N 3.45Å; D62-T66 PolarHBondContact O-OG1 2.97Å; V63-T66 PolarHBondContact O-N 3.36Å; Q64-T66 VanDerWaalsContact C-N 3.31Å; Q64-T66 PolarHBondContact O-N 3.12Å; T66-M70 WeakPolarHBondContact O-CB 3.25Å; T66-M70 PolarHBondContact O-N 2.69Å
67	F	97.8	Very high	96.5	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.035	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-43	175.6	-94.4	-94	0	0	0	111.8	F8 V63 Q64 N65 E69 M70 E71 V77 L80 A117 A118	F8-F67 AromaticContact CE2-CE2 3.61Å; F8-F67 HydrophobicContact CE2-CE2 3.61Å; F8-F67 AromaticContact CE2-CZ 3.97Å; F8-F67 HydrophobicContact CE2-CZ 3.97Å; F8-F67 HydrophobicContact CZ-CD2 4.07Å; F8-F67 AromaticContact CZ-CE2 3.48Å; F8-F67 HydrophobicContact CZ-CE2 3.48Å; F8-F67 VanDerWaalsContact CZ-CE2 3.48Å; F8-F67 HydrophobicContact CZ-CZ 4.28Å; V63-F67 HydrophobicContact CG1-CD2 4.09Å; V63-F67 HydrophobicContact CG1-CE2 4.21Å; V63-F67 WeakPolarHBondContact O-CD2 3.36Å; V63-F67 PolarHBondContact O-N 3.4Å; V63-F67 VanDerWaalsContact O-N 3.07Å; Q64-F67 PolarHBondContact O-N 3.3Å; N65-F67 VanDerWaalsContact C-N 3.34Å; N65-F67 PolarHBondContact O-N 2.94Å; F67-E69 PolarHBondContact O-N 3.2Å; F67-M70 HydrophobicContact CD1-CE 3.64Å; F67-M70 HydrophobicContact CD2-CE 4.38Å; F67-M70 HydrophobicContact CE1-CE 3.85Å; F67-M70 HydrophobicContact CG-CE 3.93Å; F67-M70 HydrophobicContact CZ-CE 4.33Å; F67-M70 PolarHBondContact O-N 3.01Å; F67-E71 WeakPolarHBondContact O-CB 3.25Å; F67-E71 WeakPolarHBondContact O-CG 3.22Å; F67-E71 PolarHBondContact O-N 3.07Å; F67-V77 HydrophobicContact CE1-CB 4.49Å; F67-V77 HydrophobicContact CE1-CG2 4.43Å; F67-L80 HydrophobicContact CZ-CD1 4.2Å; F67-A117 HydrophobicContact CB-CB 4.39Å; F67-A117 HydrophobicContact CD1-CB 4.32Å; F67-A117 HydrophobicContact CD2-CB 3.47Å; F67-A117 VanDerWaalsContact CD2-CB 3.47Å; F67-A117 HydrophobicContact CE2-CB 3.67Å; F67-A117 HydrophobicContact CG-CB 3.81Å; F67-A117 HydrophobicContact CZ-CB 4.2Å; F67-A118 HydrophobicContact CE1-CB 3.71Å; F67-A118 HydrophobicContact CZ-CB 3.8Å
68	E	96.5	Very high	96.4	Very high	93 Å²	93	61.5 Å²	61.5	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-44	176.7	-69.4	-176.4	-176.9	0	0	112.5	Q64 N65 K72	Q64-E68 PolarHBondContact O-N 3.49Å; N65-E68 PolarHBondContact O-N 3.49Å; E68-K72 WeakPolarHBondContact O-CD 3.45Å; E68-K72 VanDerWaalsContact O-CG 3.25Å; E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 3.3Å
69	E	97	Very high	96.4	Very high	102 Å²	102	61.7 Å²	61.7	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-46.4	176.4	-73.6	-176.2	177.6	0	0	111.8	F53 N65 F67 E71 K72 H73	F53-E69 HydrophobicContact CD1-CB 4.34Å; F53-E69 HydrophobicContact CE1-CB 4.07Å; N65-E69 WeakPolarHBondContact O-CG 3.34Å; N65-E69 PolarHBondContact O-N 2.94Å; F67-E69 PolarHBondContact O-N 3.2Å; E69-E71 PolarHBondContact O-N 3.31Å; E69-K72 PolarHBondContact O-N 3.34Å; E69-H73 PolarHBondContact O-N 3.09Å; E69-H73 PolarHBondContact O-ND1 3.44Å
70	M	95.3	Very high	96.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-44.6	178.4	174.2	178.4	43.1	0	0	111.7	A6 A30 F53 T66 F67 K72 H73 L74 V77	A6-M70 HydrophobicContact CB-CE 3.78Å; A6-M70 HydrophobicContact CB-SD 3.58Å; A6-M70 VanDerWaalsContact CB-SD 3.58Å; A30-M70 HydrophobicContact CB-CG 3.92Å; A30-M70 HydrophobicContact CB-SD 3.3Å; A30-M70 WeakPolarHBondContact CB-SD 3.42Å; F53-M70 HydrophobicContact CE1-CB 4.43Å; F53-M70 HydrophobicContact CE2-CB 4.15Å; F53-M70 HydrophobicContact CE2-CG 4.3Å; F53-M70 HydrophobicContact CZ-CB 4.03Å; F53-M70 HydrophobicContact CZ-CG 4.5Å; T66-M70 WeakPolarHBondContact O-CB 3.25Å; T66-M70 PolarHBondContact O-N 2.69Å; F67-M70 HydrophobicContact CD1-CE 3.64Å; F67-M70 HydrophobicContact CD2-CE 4.38Å; F67-M70 HydrophobicContact CE1-CE 3.85Å; F67-M70 HydrophobicContact CG-CE 3.93Å; F67-M70 HydrophobicContact CZ-CE 4.33Å; F67-M70 PolarHBondContact O-N 3.01Å; M70-K72 VanDerWaalsContact C-N 3.31Å; M70-K72 PolarHBondContact O-N 3.45Å; M70-H73 PolarHBondContact O-N 3.14Å; M70-L74 HydrophobicContact CG-CB 4.37Å; M70-L74 HydrophobicContact CG-CD1 3.92Å; M70-L74 HydrophobicContact CG-CG 4.32Å; M70-L74 WeakPolarHBondContact O-CB 3.45Å; M70-L74 PolarHBondContact O-N 2.91Å; M70-V77 HydrophobicContact CE-CG2 3.43Å; M70-V77 VanDerWaalsContact CE-CG2 3.43Å; M70-V77 HydrophobicContact CG-CG2 4.18Å; M70-V77 HydrophobicContact SD-CG2 3.6Å
71	E	93.8	Very high	96.4	Very high	66 Å²	66	52.8 Å²	52.8	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-32	-178.9	-74.4	-175.1	174.1	0	0	112.8	F67 E69 H73 G75 V77 A121	F67-E71 WeakPolarHBondContact O-CB 3.25Å; F67-E71 WeakPolarHBondContact O-CG 3.22Å; F67-E71 PolarHBondContact O-N 3.07Å; E69-E71 PolarHBondContact O-N 3.31Å; E71-H73 VanDerWaalsContact C-N 3.34Å; E71-H73 PolarHBondContact O-N 2.91Å; E71-G75 WeakPolarHBondContact CA-O 3.43Å; E71-G75 VanDerWaalsContact O-CA 3.26Å; E71-G75 WeakPolarHBondContact O-CA 3.45Å; E71-G75 PolarHBondContact O-N 3.44Å; E71-G75 VanDerWaalsContact O-N 3.12Å; E71-V77 HydrophobicContact CG-CG2 4.43Å; E71-A121 WeakPolarHBondContact OE1-CB 3.31Å
72	K	95	Very high	96.5	Very high	158 Å²	158	46.6 Å²	46.6	69%	0.687	22%	0.223	S	C	*	.	H	α-helix	trans	-63.6	-36.5	173.3	-73.1	166.4	-171.9	168.6	0	112.6	E68 E69 M70	E68-K72 WeakPolarHBondContact O-CD 3.45Å; E68-K72 VanDerWaalsContact O-CG 3.25Å; E68-K72 WeakPolarHBondContact O-CG 3.35Å; E68-K72 PolarHBondContact O-N 3.3Å; E69-K72 PolarHBondContact O-N 3.34Å; M70-K72 VanDerWaalsContact C-N 3.31Å; M70-K72 PolarHBondContact O-N 3.45Å
73	H	94.5	Very high	96.5	Very high	112 Å²	112	45 Å²	45	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-100.7	-36.5	-172.6	-62.1	91.6	0	0	0	114.3	R28 L51 E69 M70 E71	R28-H73 PolarHBondContact NH1-O 2.81Å; R28-H73 PolarHBondContact NH2-O 2.89Å; L51-H73 HydrophobicContact CD1-CB 3.49Å; L51-H73 VanDerWaalsContact CD1-CB 3.49Å; E69-H73 PolarHBondContact O-N 3.09Å; E69-H73 PolarHBondContact O-ND1 3.44Å; M70-H73 PolarHBondContact O-N 3.14Å; E71-H73 VanDerWaalsContact C-N 3.34Å; E71-H73 PolarHBondContact O-N 2.91Å
74	L	93.9	Very high	96.4	Very high	6 Å²	6	46 Å²	46	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-100.2	-19.8	-177	-61	-170.6	0	0	0	113.3	V4 R28 A30 L51 F53 M70	V4-L74 HydrophobicContact CG1-CB 3.81Å; V4-L74 HydrophobicContact CG1-CD1 4.22Å; V4-L74 WeakPolarHBondContact CG2-O 3.38Å; R28-L74 HydrophobicContact CG-CD2 4.04Å; R28-L74 VanDerWaalsContact CZ-CD2 3.5Å; R28-L74 VanDerWaalsContact NE-CD2 3.31Å; R28-L74 PolarHBondContact NH1-O 2.93Å; A30-L74 HydrophobicContact CB-CD1 3.62Å; L51-L74 HydrophobicContact CB-CD2 4.13Å; L51-L74 HydrophobicContact CD1-CD2 3.48Å; L51-L74 VanDerWaalsContact CD1-CD2 3.48Å; L51-L74 HydrophobicContact CD1-CG 3.99Å; L51-L74 HydrophobicContact CG-CD2 3.7Å; L51-L74 HydrophobicContact CG-CG 4.48Å; F53-L74 HydrophobicContact CE2-CD1 4.45Å; M70-L74 HydrophobicContact CG-CB 4.37Å; M70-L74 HydrophobicContact CG-CD1 3.92Å; M70-L74 HydrophobicContact CG-CG 4.32Å; M70-L74 WeakPolarHBondContact O-CB 3.45Å; M70-L74 PolarHBondContact O-N 2.91Å
75	G	92.6	Very high	96.3	Very high	30 Å²	30	44 Å²	44	31%	0.309	23%	0.225	S	C	.	.			trans	87.8	-173.3	-167.7	0	0	0	0	0	112.3	E71 V77	E71-G75 WeakPolarHBondContact CA-O 3.43Å; E71-G75 VanDerWaalsContact O-CA 3.26Å; E71-G75 WeakPolarHBondContact O-CA 3.45Å; E71-G75 PolarHBondContact O-N 3.44Å; E71-G75 VanDerWaalsContact O-N 3.12Å; G75-V77 PolarHBondContact O-N 3.18Å
76	R	92.4	Very high	96.3	Very high	134 Å²	134	41.7 Å²	41.7	51%	0.506	21%	0.212	S	C	.	.			trans	-67.9	131.4	-171.6	-62.7	-179.8	-177.4	-167	5	112.1
77	V	94.6	Very high	96.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.22	C	C	.	.			trans	-78.8	122	-179.1	-178.7	0	0	0	0	111.3	V4 A6 F67 M70 E71 G75 F79 M122	V4-V77 HydrophobicContact CG1-CG2 4.31Å; A6-V77 HydrophobicContact CB-CG1 4Å; F67-V77 HydrophobicContact CE1-CB 4.49Å; F67-V77 HydrophobicContact CE1-CG2 4.43Å; M70-V77 HydrophobicContact CE-CG2 3.43Å; M70-V77 VanDerWaalsContact CE-CG2 3.43Å; M70-V77 HydrophobicContact CG-CG2 4.18Å; M70-V77 HydrophobicContact SD-CG2 3.6Å; E71-V77 HydrophobicContact CG-CG2 4.43Å; G75-V77 PolarHBondContact O-N 3.18Å; V77-F79 WeakPolarHBondContact CG1-O 3.33Å; V77-M122 HydrophobicContact CG1-CE 4.49Å
78	N	95.6	Very high	95.9	Very high	16 Å²	16	48.6 Å²	48.6	9%	0.086	24%	0.24	C	C	.	.			trans	-114.7	-8.8	175.2	52.1	6.1	0	0	0	113.7	D2 V4 G128 S129	D2-N78 PolarHBondContact O-ND2 2.94Å; D2-N78 PolarHBondContact O-OD1 3.26Å; V4-N78 PolarHBondContact N-OD1 3.32Å; V4-N78 PolarHBondContact O-N 3.15Å; V4-N78 PolarHBondContact O-OD1 3.32Å; N78-G128 CarbonylContact O-C 3.55Å; N78-G128 VanDerWaalsContact O-CA 3.28Å; N78-G128 WeakPolarHBondContact O-CA 3.4Å; N78-S129 PolarHBondContact O-N 3.23Å
79	F	98.6	Very high	95.7	Very high	30 Å²	30	48.5 Å²	48.5	13%	0.132	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.1	171.8	-60.3	-87	0	0	0	111	K3 V4 C5 A6 Y27 V77 S129 L217	K3-F79 HydrophobicContact CB-CE2 4.12Å; K3-F79 HydrophobicContact CG-CE2 4.17Å; V4-F79 PolarHBondContact O-N 3.25Å; V4-F79 VanDerWaalsContact O-N 3.07Å; C5-F79 CarbonylContact C-O 3.55Å; C5-F79 VanDerWaalsContact CA-O 3.25Å; C5-F79 WeakPolarHBondContact CA-O 3.37Å; C5-F79 HydrophobicContact CB-CB 3.67Å; A6-F79 PolarHBondContact N-O 3.05Å; Y27-F79 HydrophobicContact CD1-CD2 4.04Å; Y27-F79 HydrophobicContact CD1-CE2 4.32Å; Y27-F79 HydrophobicContact CD1-CG 4.46Å; Y27-F79 HydrophobicContact CE1-CD1 4.18Å; Y27-F79 AromaticContact CE1-CD2 3.69Å; Y27-F79 HydrophobicContact CE1-CD2 3.69Å; Y27-F79 HydrophobicContact CE1-CE1 4.15Å; Y27-F79 AromaticContact CE1-CE2 3.67Å; Y27-F79 HydrophobicContact CE1-CE2 3.67Å; Y27-F79 AromaticContact CE1-CG 3.98Å; Y27-F79 HydrophobicContact CE1-CG 3.98Å; Y27-F79 AromaticContact CE1-CZ 3.91Å; Y27-F79 HydrophobicContact CE1-CZ 3.91Å; V77-F79 WeakPolarHBondContact CG1-O 3.33Å; F79-S129 VanDerWaalsContact CA-O 3.32Å; F79-S129 WeakPolarHBondContact CA-O 3.44Å; F79-L217 HydrophobicContact CD1-CB 4.1Å; F79-L217 HydrophobicContact CD1-CD2 4.12Å; F79-L217 HydrophobicContact CE1-CB 4.46Å
80	L	98.9	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133	176.4	177.7	65.1	0	0	0	110.4	A6 F8 F67 A118 M122 S129 I130 V131	A6-L80 HydrophobicContact CB-CD1 3.96Å; F8-L80 HydrophobicContact CD2-CD1 3.64Å; F8-L80 HydrophobicContact CE2-CD1 3.68Å; F67-L80 HydrophobicContact CZ-CD1 4.2Å; L80-A118 HydrophobicContact CD2-CB 3.89Å; L80-M122 HydrophobicContact CB-CE 4.25Å; L80-S129 PolarHBondContact N-O 3.39Å; L80-I130 HydrophobicContact CB-CB 4.45Å; L80-I130 HydrophobicContact CB-CD1 4.5Å; L80-I130 HydrophobicContact CB-CG1 4.06Å; L80-I130 HydrophobicContact CB-CG2 4.19Å; L80-I130 HydrophobicContact CD2-CD1 4.12Å; L80-I130 HydrophobicContact CD2-CG1 4.5Å; L80-I130 HydrophobicContact CD2-CG2 4.04Å; L80-I130 HydrophobicContact CG-CG2 4.25Å; L80-I130 WeakPolarHBondContact O-CA 3.41Å; L80-V131 PolarHBondContact O-N 2.67Å
81	V	98.9	Very high	95.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.5	172	-179.4	0	0	0	0	109.5	A6 I7 F8 V18 A83 V131 V133 V213 L217	A6-V81 PolarHBondContact O-N 2.96Å; I7-V81 HydrophobicContact CB-CB 4.5Å; I7-V81 HydrophobicContact CG1-CB 4.23Å; I7-V81 HydrophobicContact CG1-CG2 4.47Å; I7-V81 HydrophobicContact CG2-CB 4.21Å; I7-V81 HydrophobicContact CG2-CG1 4.28Å; F8-V81 PolarHBondContact N-O 3.36Å; V18-V81 HydrophobicContact CG1-CG1 4.32Å; V18-V81 HydrophobicContact CG1-CG2 4.13Å; V81-A83 HydrophobicContact CG1-CB 4.33Å; V81-V131 WeakPolarHBondContact CA-O 3.21Å; V81-V133 HydrophobicContact CG1-CG2 4.48Å; V81-V213 HydrophobicContact CG1-CG1 4.15Å; V81-V213 HydrophobicContact CG2-CG1 3.91Å; V81-L217 HydrophobicContact CG2-CD1 3.77Å
82	N	98.9	Very high	95.8	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	90.2	174.6	-75.7	-38.1	0	0	0	110.1	T114 V131 N132 V133	N82-T114 VanDerWaalsContact CG-OG1 3.29Å; N82-T114 PolarHBondContact ND2-OG1 2.88Å; N82-T114 WeakPolarHBondContact OD1-CB 3.3Å; N82-T114 PolarHBondContact OD1-OG1 2.98Å; N82-V131 PolarHBondContact N-O 2.75Å; N82-N132 WeakPolarHBondContact CB-OD1 3.26Å; N82-N132 PolarHBondContact ND2-OD1 3.18Å; N82-V133 WeakPolarHBondContact O-CB 3.36Å; N82-V133 WeakPolarHBondContact O-CG2 3.43Å; N82-V133 PolarHBondContact O-N 2.82Å
83	A	98.7	Very high	96	Very high	24 Å²	24	50.3 Å²	50.3	20%	0.198	27%	0.272	C	S	.	.			trans	-107.4	-6.4	176.7	0	0	0	0	0	113.4	F8 V81 G85 V133	F8-A83 CarbonylContact O-C 3.56Å; F8-A83 VanDerWaalsContact O-CA 3.31Å; F8-A83 WeakPolarHBondContact O-CA 3.42Å; F8-A83 WeakPolarHBondContact O-CB 3.32Å; F8-A83 PolarHBondContact O-N 3.4Å; V81-A83 HydrophobicContact CG1-CB 4.33Å; A83-G85 PolarHBondContact O-N 3.43Å; A83-V133 HydrophobicContact CB-CB 4.48Å; A83-V133 HydrophobicContact CB-CG2 3.85Å
84	A	96.7	Very high	96.1	Very high	20 Å²	20	54.3 Å²	54.3	17%	0.165	28%	0.282	C	S	.	.			trans	-63.2	131.5	174.3	0	0	0	0	0	110.3	F8 V57	F8-A84 HydrophobicContact CB-CB 4.27Å; F8-A84 PolarHBondContact O-N 2.96Å; V57-A84 HydrophobicContact CG1-CB 4.13Å; V57-A84 HydrophobicContact CG2-CB 4.16Å
85	G	96.4	Very high	96.3	Very high	32 Å²	32	54.9 Å²	54.9	33%	0.33	29%	0.286	S	S	.	.			trans	-176.4	161.9	177.7	0	0	0	0	0	113.1	A83 N107	A83-G85 PolarHBondContact O-N 3.43Å; G85-N107 WeakPolarHBondContact CA-OD1 3.28Å
86	I	97	Very high	96.6	Very high	34 Å²	34	60.1 Å²	60.1	17%	0.174	30%	0.3	C	S	.	.			trans	-131.6	157.2	176.2	58.7	170.6	0	0	0	109.6	S102 Q103 T106 N107	I86-S102 WeakPolarHBondContact CD1-OG 3.37Å; I86-Q103 HydrophobicContact CD1-CG 4.18Å; I86-Q103 HydrophobicContact CG1-CG 4.17Å; I86-T106 HydrophobicContact CG1-CG2 4.13Å; I86-T106 HydrophobicContact CG2-CG2 4.34Å; I86-N107 PolarHBondContact N-OD1 2.89Å; I86-N107 PolarHBondContact O-ND2 2.95Å; I86-N107 PolarHBondContact O-OD1 3.32Å
87	N	95	Very high	96.8	Very high	37 Å²	37	58.1 Å²	58.1	20%	0.198	30%	0.303	C	S	.	.			trans	-136.3	143.6	173.6	-179.6	34.8	0	0	0	109.4	D89 Q145 Y148 M185	N87-D89 PolarHBondContact ND2-OD1 3.23Å; N87-D89 PolarHBondContact OD1-OD1 3.17Å; N87-Q145 PolarHBondContact ND2-NE2 2.82Å; N87-Y148 HydrophobicContact CB-CD2 3.77Å; N87-Y148 HydrophobicContact CB-CE2 3.83Å; N87-Y148 HydrophobicContact CB-CG 4.48Å; N87-Y148 WeakPolarHBondContact OD1-CB 3.28Å; N87-Y148 WeakPolarHBondContact OD1-CD2 3.28Å; N87-M185 HydrophobicContact CB-CE 3.89Å; N87-M185 HydrophobicContact CB-CG 3.98Å; N87-M185 HydrophobicContact CB-SD 3.55Å; N87-M185 VanDerWaalsContact CB-SD 3.55Å
88	R	93.8	Very high	97	Very high	121 Å²	121	64.2 Å²	64.2	46%	0.457	33%	0.331	S	S	.	.			trans	-139.8	104.3	172	-64.3	-169.9	-177.3	-158.9	9.7	109.1	S90 D99	R88-S90 PolarHBondContact O-N 3.47Å; R88-D99 IonicContact CZ-OD1 2.67Å; R88-D99 IonicContact CZ-OD2 3.89Å; R88-D99 IonicContact NE-OD1 2.75Å; R88-D99 IonicContact NH1-OD1 2.8Å; R88-D99 PolarHBondContact NH1-OD1 3.42Å; R88-D99 IonicContact NH1-OD2 2.9Å; R88-D99 PolarHBondContact NH1-OD2 3.39Å; R88-D99 IonicContact NH2-OD1 3.7Å
89	D	92.9	Very high	97.1	Very high	92 Å²	92	65.3 Å²	65.3	49%	0.492	34%	0.337	S	S	.	.			trans	-72.5	124.6	178.4	-70.3	3.6	0	0	0	109.9	N87 G144 Q145	N87-D89 PolarHBondContact ND2-OD1 3.23Å; N87-D89 PolarHBondContact OD1-OD1 3.17Å; D89-G144 WeakPolarHBondContact CA-O 3.15Å; D89-Q145 WeakPolarHBondContact OD1-CG 3.4Å; D89-Q145 PolarHBondContact OD1-NE2 3.2Å
90	S	93.7	Very high	97.1	Very high	37 Å²	37	66.1 Å²	66.1	26%	0.259	34%	0.342	S	S	.	.			trans	-164.8	151.2	175.9	-172.1	0	0	0	0	110.5	R88 T95 G144	R88-S90 PolarHBondContact O-N 3.47Å; S90-T95 WeakPolarHBondContact CB-OG1 3.2Å; S90-T95 PolarHBondContact OG-OG1 3.11Å; S90-G144 PolarHBondContact N-O 3.2Å; S90-G144 CarbonylContact O-C 3.55Å
91	L	96.8	Very high	97.1	Very high	90 Å²	90	69 Å²	69	47%	0.471	36%	0.359	S	S	.	.			trans	-65.4	143.3	165.8	-63.4	179.7	0	0	0	109	V93 R94 T95	L91-V93 VanDerWaalsContact C-N 3.26Å; L91-V93 HydrophobicContact CB-CG2 4.27Å; L91-V93 PolarHBondContact O-N 3.44Å; L91-R94 CarbonylContact O-C 2.98Å; L91-R94 WeakPolarHBondContact O-CA 3.36Å; L91-R94 PolarHBondContact O-N 3.26Å; L91-T95 PolarHBondContact O-N 2.95Å; L91-T95 VanDerWaalsContact O-N 3.12Å; L91-T95 PolarHBondContact O-OG1 3.42Å
92	L	98.1	Very high	97.1	Very high	100 Å²	100	70.9 Å²	70.9	52%	0.524	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-53.7	-44.4	-176	180	60.7	0	0	0	112.2	R94 T95 M100	L92-R94 PolarHBondContact O-N 2.87Å; L92-R94 VanDerWaalsContact O-N 3.1Å; L92-T95 WeakPolarHBondContact O-CB 3.24Å; L92-T95 PolarHBondContact O-N 2.94Å; L92-M100 HydrophobicContact CD1-CE 3.68Å
93	V	97.8	Very high	97.1	Very high	136 Å²	136	70.7 Å²	70.7	82%	0.824	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-63.5	-14.5	178.9	-61.9	0	0	0	0	114.5	L91	L91-V93 VanDerWaalsContact C-N 3.26Å; L91-V93 HydrophobicContact CB-CG2 4.27Å; L91-V93 PolarHBondContact O-N 3.44Å
94	R	97.3	Very high	97.1	Very high	196 Å²	196	72.6 Å²	72.6	74%	0.74	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-110.4	-0.3	176.5	-65	-177.4	-179.8	178.7	-0.7	112.7	L91 L92	L91-R94 CarbonylContact O-C 2.98Å; L91-R94 WeakPolarHBondContact O-CA 3.36Å; L91-R94 PolarHBondContact O-N 3.26Å; L92-R94 PolarHBondContact O-N 2.87Å; L92-R94 VanDerWaalsContact O-N 3.1Å
95	T	97.7	Very high	97.2	Very high	18 Å²	18	75.6 Å²	75.6	11%	0.11	39%	0.389	C	S	.	.			trans	-84	122.5	-178.4	-56.6	0	0	0	0	109	S90 L91 L92 D99 M100 V147	S90-T95 WeakPolarHBondContact CB-OG1 3.2Å; S90-T95 PolarHBondContact OG-OG1 3.11Å; L91-T95 PolarHBondContact O-N 2.95Å; L91-T95 VanDerWaalsContact O-N 3.12Å; L91-T95 PolarHBondContact O-OG1 3.42Å; L92-T95 WeakPolarHBondContact O-CB 3.24Å; L92-T95 PolarHBondContact O-N 2.94Å; T95-D99 HydrophobicContact CG2-CB 4.49Å; T95-M100 HydrophobicContact CG2-CE 3.91Å; T95-M100 HydrophobicContact CG2-CG 3.67Å; T95-M100 WeakPolarHBondContact O-CE 3.45Å; T95-V147 HydrophobicContact CG2-CG2 4.07Å
96	K	98.1	Very high	97.3	Very high	140 Å²	140	74.8 Å²	74.8	61%	0.609	38%	0.377	S	S	*	.			trans	-69.4	142.3	174.8	-62.6	-175.9	-179.9	-178.7	0	110.4	E98 D99 M100	K96-E98 WeakPolarHBondContact CB-OE2 3.22Å; K96-E98 PolarHBondContact O-N 3.23Å; K96-D99 HydrophobicContact CB-CB 4.43Å; K96-D99 WeakPolarHBondContact O-CB 3.23Å; K96-D99 PolarHBondContact O-N 3.4Å; K96-M100 WeakPolarHBondContact O-CG 3.49Å; K96-M100 PolarHBondContact O-N 3.25Å; K96-M100 VanDerWaalsContact O-N 3.1Å
97	T	98.4	Very high	97.4	Very high	92 Å²	92	73.1 Å²	73.1	56%	0.564	37%	0.369	S	S	*	.	H	α-helix	trans	-56.8	-38.2	179.7	-58.1	0	0	0	0	112	D99 M100 V101	T97-D99 VanDerWaalsContact C-N 3.28Å; T97-D99 PolarHBondContact O-N 3.21Å; T97-M100 WeakPolarHBondContact O-CA 3.27Å; T97-M100 VanDerWaalsContact O-CB 3.29Å; T97-M100 WeakPolarHBondContact O-CB 3.48Å; T97-M100 PolarHBondContact O-N 2.79Å; T97-V101 HydrophobicContact CG2-CG2 4.48Å; T97-V101 WeakPolarHBondContact O-CG2 3.42Å; T97-V101 PolarHBondContact O-N 3.01Å
98	E	98.2	Very high	97.6	Very high	130 Å²	130	73 Å²	73	61%	0.607	37%	0.368	S	S	*	.	H	α-helix	trans	-63.5	-36.5	179.1	-56.3	74	-159	0	0	111.5	K96 M100 V101 S102	K96-E98 WeakPolarHBondContact CB-OE2 3.22Å; K96-E98 PolarHBondContact O-N 3.23Å; E98-M100 VanDerWaalsContact C-N 3.33Å; E98-V101 PolarHBondContact O-N 3.21Å; E98-S102 VanDerWaalsContact O-CB 3.24Å; E98-S102 WeakPolarHBondContact O-CB 3.29Å; E98-S102 PolarHBondContact O-N 3.48Å
99	D	98	Very high	97.8	Very high	39 Å²	39	70.1 Å²	70.1	21%	0.209	36%	0.361	C	S	.	.	H	α-helix	trans	-71.6	-30.6	175.2	-72.4	-2.9	0	0	0	111.5	R88 T95 K96 T97 Q103	R88-D99 IonicContact CZ-OD1 2.67Å; R88-D99 IonicContact CZ-OD2 3.89Å; R88-D99 IonicContact NE-OD1 2.75Å; R88-D99 IonicContact NH1-OD1 2.8Å; R88-D99 PolarHBondContact NH1-OD1 3.42Å; R88-D99 IonicContact NH1-OD2 2.9Å; R88-D99 PolarHBondContact NH1-OD2 3.39Å; R88-D99 IonicContact NH2-OD1 3.7Å; T95-D99 HydrophobicContact CG2-CB 4.49Å; K96-D99 HydrophobicContact CB-CB 4.43Å; K96-D99 WeakPolarHBondContact O-CB 3.23Å; K96-D99 PolarHBondContact O-N 3.4Å; T97-D99 VanDerWaalsContact C-N 3.28Å; T97-D99 PolarHBondContact O-N 3.21Å; D99-Q103 WeakPolarHBondContact O-CG 3.28Å; D99-Q103 PolarHBondContact O-N 3.05Å; D99-Q103 PolarHBondContact O-NE2 2.66Å
100	M	98.6	Very high	98.1	Very high	47 Å²	47	65.8 Å²	65.8	23%	0.232	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-54	171.3	-52.1	-170.5	-176.7	0	0	110.7	L92 T95 K96 T97 E98 S102 Q103 L104 V147	L92-M100 HydrophobicContact CD1-CE 3.68Å; T95-M100 HydrophobicContact CG2-CE 3.91Å; T95-M100 HydrophobicContact CG2-CG 3.67Å; T95-M100 WeakPolarHBondContact O-CE 3.45Å; K96-M100 WeakPolarHBondContact O-CG 3.49Å; K96-M100 PolarHBondContact O-N 3.25Å; K96-M100 VanDerWaalsContact O-N 3.1Å; T97-M100 WeakPolarHBondContact O-CA 3.27Å; T97-M100 VanDerWaalsContact O-CB 3.29Å; T97-M100 WeakPolarHBondContact O-CB 3.48Å; T97-M100 PolarHBondContact O-N 2.79Å; E98-M100 VanDerWaalsContact C-N 3.33Å; M100-S102 VanDerWaalsContact C-N 3.31Å; M100-S102 PolarHBondContact O-N 3.48Å; M100-Q103 PolarHBondContact O-N 3.26Å; M100-L104 WeakPolarHBondContact O-CG 3.44Å; M100-L104 PolarHBondContact O-N 3.44Å; M100-V147 HydrophobicContact CB-CG1 4.2Å; M100-V147 HydrophobicContact CB-CG2 4.33Å; M100-V147 HydrophobicContact CG-CG2 3.89Å; M100-V147 HydrophobicContact SD-CG2 4.43Å
101	V	98.7	Very high	98.3	Very high	60 Å²	60	64.2 Å²	64.2	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-43.2	180	174.5	0	0	0	0	110.5	T97 E98 Q103 L104 H105	T97-V101 HydrophobicContact CG2-CG2 4.48Å; T97-V101 WeakPolarHBondContact O-CG2 3.42Å; T97-V101 PolarHBondContact O-N 3.01Å; E98-V101 PolarHBondContact O-N 3.21Å; V101-Q103 PolarHBondContact O-N 3.38Å; V101-L104 PolarHBondContact O-N 3.07Å; V101-H105 VanDerWaalsContact O-CB 3.26Å; V101-H105 WeakPolarHBondContact O-CB 3.4Å; V101-H105 PolarHBondContact O-CD2 3.37Å; V101-H105 PolarHBondContact O-N 3.18Å
102	S	98.4	Very high	98.4	Very high	39 Å²	39	63.4 Å²	63.4	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-57.9	-45.8	178.3	-176.9	0	0	0	0	112.5	I86 E98 M100 T106	I86-S102 WeakPolarHBondContact CD1-OG 3.37Å; E98-S102 VanDerWaalsContact O-CB 3.24Å; E98-S102 WeakPolarHBondContact O-CB 3.29Å; E98-S102 PolarHBondContact O-N 3.48Å; M100-S102 VanDerWaalsContact C-N 3.31Å; M100-S102 PolarHBondContact O-N 3.48Å; S102-T106 WeakPolarHBondContact O-CB 3.44Å; S102-T106 PolarHBondContact O-N 2.99Å; S102-T106 PolarHBondContact O-OG1 3.37Å
103	Q	98.5	Very high	98.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-67.9	-44.1	178.1	-71.9	-177	87.9	0	0	112	I86 D99 M100 V101 T106 N107 V147	I86-Q103 HydrophobicContact CD1-CG 4.18Å; I86-Q103 HydrophobicContact CG1-CG 4.17Å; D99-Q103 WeakPolarHBondContact O-CG 3.28Å; D99-Q103 PolarHBondContact O-N 3.05Å; D99-Q103 PolarHBondContact O-NE2 2.66Å; M100-Q103 PolarHBondContact O-N 3.26Å; V101-Q103 PolarHBondContact O-N 3.38Å; Q103-T106 PolarHBondContact O-N 3.41Å; Q103-N107 WeakPolarHBondContact O-CB 3.46Å; Q103-N107 VanDerWaalsContact O-CG 3.29Å; Q103-N107 PolarHBondContact O-N 3.26Å; Q103-V147 HydrophobicContact CB-CG1 3.89Å
104	L	98.8	Very high	98.5	Very high	63 Å²	63	53.1 Å²	53.1	33%	0.33	26%	0.263	S	S	.	.	I	π-helix	trans	-63.7	-43.6	177.9	-68.3	171.8	0	0	0	111.6	M100 V101 L108 L109	M100-L104 WeakPolarHBondContact O-CG 3.44Å; M100-L104 PolarHBondContact O-N 3.44Å; V101-L104 PolarHBondContact O-N 3.07Å; L104-L108 WeakPolarHBondContact O-CA 3.44Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 PolarHBondContact O-N 3.04Å; L104-L109 PolarHBondContact O-N 3.35Å
105	H	98.8	Very high	98.6	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.389	23%	0.228	S	C	.	.	I	π-helix	trans	-66.3	-43.9	178.9	-76.6	-161.4	0	0	0	111.7	A58 V101 G110	A58-H105 HydrophobicContact CB-CB 4.09Å; V101-H105 VanDerWaalsContact O-CB 3.26Å; V101-H105 WeakPolarHBondContact O-CB 3.4Å; V101-H105 PolarHBondContact O-CD2 3.37Å; V101-H105 PolarHBondContact O-N 3.18Å; H105-G110 PolarHBondContact O-N 3.13Å
106	T	98.8	Very high	98.6	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.086	25%	0.248	C	C	.	.	I	π-helix	trans	-72.1	-51.1	-178.5	-52.4	0	0	0	0	111.8	V57 I86 S102 Q103	V57-T106 HydrophobicContact CG2-CG2 4.15Å; I86-T106 HydrophobicContact CG1-CG2 4.13Å; I86-T106 HydrophobicContact CG2-CG2 4.34Å; S102-T106 WeakPolarHBondContact O-CB 3.44Å; S102-T106 PolarHBondContact O-N 2.99Å; S102-T106 PolarHBondContact O-OG1 3.37Å; Q103-T106 PolarHBondContact O-N 3.41Å
107	N	98.8	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-83.4	-39.7	-167.6	-60.9	-12.3	0	0	0	112.3	G85 I86 Q103 S111 S151	G85-N107 WeakPolarHBondContact CA-OD1 3.28Å; I86-N107 PolarHBondContact N-OD1 2.89Å; I86-N107 PolarHBondContact O-ND2 2.95Å; I86-N107 PolarHBondContact O-OD1 3.32Å; Q103-N107 WeakPolarHBondContact O-CB 3.46Å; Q103-N107 VanDerWaalsContact O-CG 3.29Å; Q103-N107 PolarHBondContact O-N 3.26Å; N107-S111 PolarHBondContact O-OG 2.76Å; N107-S151 WeakPolarHBondContact CB-OG 3.35Å; N107-S151 PolarHBondContact ND2-OG 3.46Å
108	L	98.9	Very high	98.6	Very high	35 Å²	35	38.8 Å²	38.8	18%	0.183	20%	0.2	C	C	.	.	I	π-helix	trans	-99.9	-65.2	-174.5	179.3	57.9	0	0	0	111.2	L104 G110 S111 M112 L155	L104-L108 WeakPolarHBondContact O-CA 3.44Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 PolarHBondContact O-N 3.04Å; L108-G110 VanDerWaalsContact C-N 3.27Å; L108-G110 PolarHBondContact O-N 2.7Å; L108-S111 PolarHBondContact O-N 3.22Å; L108-S111 VanDerWaalsContact O-N 3.14Å; L108-M112 HydrophobicContact CD1-CG 4.49Å; L108-M112 HydrophobicContact CD1-SD 4.16Å; L108-M112 HydrophobicContact CG-SD 4.06Å; L108-M112 WeakPolarHBondContact O-CG 3.45Å; L108-M112 PolarHBondContact O-N 2.78Å; L108-L155 HydrophobicContact CD1-CD2 3.91Å; L108-L155 HydrophobicContact CD1-CG 4.21Å
109	L	98.9	Very high	98.5	Very high	59 Å²	59	33.5 Å²	33.5	31%	0.309	18%	0.176	S	C	.	.	I	π-helix	trans	-59.2	-40.5	-177.8	-179.6	61.6	0	0	0	111.4	L104 S111 M112 L113	L104-L109 PolarHBondContact O-N 3.35Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 2.86Å; L109-M112 CarbonylContact O-C 3.6Å; L109-M112 WeakPolarHBondContact O-CA 3.4Å; L109-M112 WeakPolarHBondContact O-CB 3.26Å; L109-M112 PolarHBondContact O-N 2.75Å; L109-L113 HydrophobicContact CD1-CD1 4.43Å; L109-L113 HydrophobicContact CD1-CG 4.15Å; L109-L113 HydrophobicContact CG-CD1 3.99Å; L109-L113 HydrophobicContact CG-CG 4.17Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.48Å
110	G	98.9	Very high	98	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-38.5	178.7	0	0	0	0	0	113.4	V57 H105 L108 M112 L113 T114	V57-G110 WeakPolarHBondContact O-CA 3.45Å; H105-G110 PolarHBondContact O-N 3.13Å; L108-G110 VanDerWaalsContact C-N 3.27Å; L108-G110 PolarHBondContact O-N 2.7Å; G110-M112 VanDerWaalsContact C-N 3.32Å; G110-L113 PolarHBondContact O-N 2.8Å; G110-T114 WeakPolarHBondContact O-CB 3.37Å; G110-T114 VanDerWaalsContact O-CG2 3.27Å; G110-T114 WeakPolarHBondContact O-CG2 3.22Å; G110-T114 PolarHBondContact O-N 3.48Å; G110-T114 PolarHBondContact O-OG1 3.37Å
111	S	98.9	Very high	97.7	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-34.5	171.4	-59.2	0	0	0	0	111.9	N107 L108 L109 T114 C115 L155	N107-S111 PolarHBondContact O-OG 2.76Å; L108-S111 PolarHBondContact O-N 3.22Å; L108-S111 VanDerWaalsContact O-N 3.14Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 2.86Å; S111-T114 VanDerWaalsContact CA-OG1 3.31Å; S111-T114 WeakPolarHBondContact CA-OG1 3.48Å; S111-T114 PolarHBondContact O-OG1 3.44Å; S111-C115 VanDerWaalsContact O-CB 3.28Å; S111-C115 WeakPolarHBondContact O-CB 3.25Å; S111-C115 PolarHBondContact O-N 2.89Å; S111-C115 PolarHBondContact O-SG 2.95Å; S111-L155 VanDerWaalsContact CB-CD2 3.48Å
112	M	98.9	Very high	97.7	Very high	73 Å²	73	35.4 Å²	35.4	36%	0.36	17%	0.172	S	C	.	.	H	α-helix	trans	-67.2	-44.7	175.6	-63	168.7	64.9	0	0	111.8	L108 L109 G110 C115 K116 F158	L108-M112 HydrophobicContact CD1-CG 4.49Å; L108-M112 HydrophobicContact CD1-SD 4.16Å; L108-M112 HydrophobicContact CG-SD 4.06Å; L108-M112 WeakPolarHBondContact O-CG 3.45Å; L108-M112 PolarHBondContact O-N 2.78Å; L109-M112 CarbonylContact O-C 3.6Å; L109-M112 WeakPolarHBondContact O-CA 3.4Å; L109-M112 WeakPolarHBondContact O-CB 3.26Å; L109-M112 PolarHBondContact O-N 2.75Å; G110-M112 VanDerWaalsContact C-N 3.32Å; M112-C115 PolarHBondContact O-N 3.14Å; M112-K116 WeakPolarHBondContact O-CB 3.4Å; M112-K116 PolarHBondContact O-N 3.14Å; M112-F158 HydrophobicContact CB-CE2 4.18Å; M112-F158 HydrophobicContact CB-CZ 4.08Å; M112-F158 HydrophobicContact CE-CD2 4.47Å; M112-F158 HydrophobicContact CG-CD1 4.08Å; M112-F158 HydrophobicContact CG-CD2 3.83Å; M112-F158 HydrophobicContact CG-CE1 4.01Å; M112-F158 HydrophobicContact CG-CE2 3.78Å; M112-F158 HydrophobicContact CG-CG 3.98Å; M112-F158 HydrophobicContact CG-CZ 3.87Å
113	L	98.9	Very high	97.5	Very high	19 Å²	19	36.8 Å²	36.8	10%	0.099	18%	0.176	C	C	.	.	H	α-helix	trans	-64.9	-44.5	178.9	-69.6	173.8	0	0	0	111.9	E60 V63 L109 G110 K116 A117	E60-L113 HydrophobicContact CB-CD1 4.16Å; E60-L113 HydrophobicContact CB-CD2 4.01Å; E60-L113 HydrophobicContact CG-CD2 4Å; V63-L113 HydrophobicContact CG2-CB 4.42Å; L109-L113 HydrophobicContact CD1-CD1 4.43Å; L109-L113 HydrophobicContact CD1-CG 4.15Å; L109-L113 HydrophobicContact CG-CD1 3.99Å; L109-L113 HydrophobicContact CG-CG 4.17Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.48Å; G110-L113 PolarHBondContact O-N 2.8Å; L113-K116 WeakPolarHBondContact O-CB 3.4Å; L113-K116 PolarHBondContact O-N 2.88Å; L113-A117 PolarHBondContact O-N 2.95Å
114	T	98.8	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-40.9	177.2	50	0	0	0	0	112.1	F8 V57 V63 N82 G110 S111 A117 A118	F8-T114 HydrophobicContact CD1-CG2 3.83Å; F8-T114 HydrophobicContact CD2-CG2 3.89Å; F8-T114 HydrophobicContact CE1-CG2 3.7Å; F8-T114 HydrophobicContact CE2-CG2 3.79Å; F8-T114 HydrophobicContact CG-CG2 3.92Å; F8-T114 HydrophobicContact CZ-CG2 3.7Å; V57-T114 HydrophobicContact CB-CG2 4.49Å; V57-T114 HydrophobicContact CG1-CG2 4.06Å; V63-T114 HydrophobicContact CG1-CG2 3.95Å; V63-T114 HydrophobicContact CG2-CG2 4.15Å; N82-T114 VanDerWaalsContact CG-OG1 3.29Å; N82-T114 PolarHBondContact ND2-OG1 2.88Å; N82-T114 WeakPolarHBondContact OD1-CB 3.3Å; N82-T114 PolarHBondContact OD1-OG1 2.98Å; G110-T114 WeakPolarHBondContact O-CB 3.37Å; G110-T114 VanDerWaalsContact O-CG2 3.27Å; G110-T114 WeakPolarHBondContact O-CG2 3.22Å; G110-T114 PolarHBondContact O-N 3.48Å; G110-T114 PolarHBondContact O-OG1 3.37Å; S111-T114 VanDerWaalsContact CA-OG1 3.31Å; S111-T114 WeakPolarHBondContact CA-OG1 3.48Å; S111-T114 PolarHBondContact O-OG1 3.44Å; T114-A117 PolarHBondContact O-N 2.89Å; T114-A118 PolarHBondContact O-N 2.96Å
115	C	98.8	Very high	96.9	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-47.5	170.7	-77.8	0	0	0	0	111.5	S111 M112 A117 A118 M119 F158 L162	S111-C115 VanDerWaalsContact O-CB 3.28Å; S111-C115 WeakPolarHBondContact O-CB 3.25Å; S111-C115 PolarHBondContact O-N 2.89Å; S111-C115 PolarHBondContact O-SG 2.95Å; M112-C115 PolarHBondContact O-N 3.14Å; C115-A117 VanDerWaalsContact C-N 3.32Å; C115-A117 PolarHBondContact O-N 2.8Å; C115-A118 PolarHBondContact O-N 3.03Å; C115-M119 VanDerWaalsContact O-CG 3.31Å; C115-M119 WeakPolarHBondContact O-CG 3.41Å; C115-M119 PolarHBondContact O-N 3.45Å; C115-F158 HydrophobicContact CB-CE1 4.15Å; C115-F158 HydrophobicContact CB-CZ 3.75Å; C115-L162 HydrophobicContact CB-CD2 3.91Å
116	K	98.6	Very high	96.7	Very high	124 Å²	124	43.3 Å²	43.3	54%	0.539	21%	0.205	S	C	.	.	H	α-helix	trans	-55.7	-45.4	177.3	176.4	-172.5	174.7	-172.1	0	111.4	E60 M112 L113 M119	E60-K116 IonicContact OE1-NZ 3.03Å; E60-K116 PolarHBondContact OE1-NZ 3.17Å; M112-K116 WeakPolarHBondContact O-CB 3.4Å; M112-K116 PolarHBondContact O-N 3.14Å; L113-K116 WeakPolarHBondContact O-CB 3.4Å; L113-K116 PolarHBondContact O-N 2.88Å; K116-M119 PolarHBondContact O-N 3.18Å
117	A	98.1	Very high	96.6	Very high	21 Å²	21	43.3 Å²	43.3	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-45.6	178.1	0	0	0	0	0	112	V63 F67 L113 T114 C115 M119 R120	V63-A117 HydrophobicContact CG1-CB 3.87Å; F67-A117 HydrophobicContact CB-CB 4.39Å; F67-A117 HydrophobicContact CD1-CB 4.32Å; F67-A117 HydrophobicContact CD2-CB 3.47Å; F67-A117 VanDerWaalsContact CD2-CB 3.47Å; F67-A117 HydrophobicContact CE2-CB 3.67Å; F67-A117 HydrophobicContact CG-CB 3.81Å; F67-A117 HydrophobicContact CZ-CB 4.2Å; L113-A117 PolarHBondContact O-N 2.95Å; T114-A117 PolarHBondContact O-N 2.89Å; C115-A117 VanDerWaalsContact C-N 3.32Å; C115-A117 PolarHBondContact O-N 2.8Å; A117-M119 VanDerWaalsContact C-N 3.29Å; A117-M119 PolarHBondContact O-N 3.07Å; A117-R120 PolarHBondContact O-N 3.05Å
118	A	97.9	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-31.2	177.4	0	0	0	0	0	113.8	F67 L80 T114 C115 R120 A121 M122	F67-A118 HydrophobicContact CE1-CB 3.71Å; F67-A118 HydrophobicContact CZ-CB 3.8Å; L80-A118 HydrophobicContact CD2-CB 3.89Å; T114-A118 PolarHBondContact O-N 2.96Å; C115-A118 PolarHBondContact O-N 3.03Å; A118-R120 PolarHBondContact O-N 2.99Å; A118-A121 PolarHBondContact O-N 2.91Å; A118-M122 HydrophobicContact CB-CE 4.13Å; A118-M122 HydrophobicContact CB-SD 4.28Å; A118-M122 WeakPolarHBondContact O-CG 3.49Å; A118-M122 PolarHBondContact O-N 3.31Å; A118-M122 VanDerWaalsContact O-N 3.11Å
119	M	95.6	Very high	96.6	Very high	18 Å²	18	42.4 Å²	42.4	9%	0.089	21%	0.206	C	C	.	.	H	α-helix	trans	-57.9	-35.5	-178.4	-75.4	-50.7	94.1	0	0	112.9	C115 K116 A117 A121 M122 I123 I130 L162 V166 I171	C115-M119 VanDerWaalsContact O-CG 3.31Å; C115-M119 WeakPolarHBondContact O-CG 3.41Å; C115-M119 PolarHBondContact O-N 3.45Å; K116-M119 PolarHBondContact O-N 3.18Å; A117-M119 VanDerWaalsContact C-N 3.29Å; A117-M119 PolarHBondContact O-N 3.07Å; M119-A121 PolarHBondContact O-N 3.18Å; M119-M122 HydrophobicContact CE-SD 3.89Å; M119-M122 PolarHBondContact O-N 3.45Å; M119-I123 HydrophobicContact CB-CD1 4.01Å; M119-I123 VanDerWaalsContact O-CB 3.25Å; M119-I123 WeakPolarHBondContact O-CB 3.41Å; M119-I123 WeakPolarHBondContact O-CG1 3.31Å; M119-I123 PolarHBondContact O-N 2.9Å; M119-I130 HydrophobicContact CE-CD1 3.22Å; M119-I130 HydrophobicContact CE-CG1 4.47Å; M119-L162 HydrophobicContact SD-CD1 4.26Å; M119-V166 HydrophobicContact SD-CB 4.38Å; M119-V166 HydrophobicContact SD-CG1 3.81Å; M119-V166 HydrophobicContact SD-CG2 4.2Å; M119-I171 HydrophobicContact CE-CG2 4.15Å; M119-I171 HydrophobicContact SD-CD1 4.26Å
120	R	88.4	Confident	96.6	Very high	182 Å²	182	39.6 Å²	39.6	69%	0.687	19%	0.191	S	C	*	.	H	α-helix	trans	-57.1	-49.7	-176.5	-171.7	178.2	-178.7	-175.5	-0.3	111.4	A117 A118 Q124	A117-R120 PolarHBondContact O-N 3.05Å; A118-R120 PolarHBondContact O-N 2.99Å; R120-Q124 VanDerWaalsContact O-CG 3.23Å; R120-Q124 WeakPolarHBondContact O-CG 3.42Å
121	A	92.1	Very high	96.6	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-74.2	-46.9	178	0	0	0	0	0	112.2	E71 A118 M119 I123 Q124 Q125	E71-A121 WeakPolarHBondContact OE1-CB 3.31Å; A118-A121 PolarHBondContact O-N 2.91Å; M119-A121 PolarHBondContact O-N 3.18Å; A121-I123 VanDerWaalsContact C-N 3.33Å; A121-I123 PolarHBondContact O-N 2.86Å; A121-Q124 PolarHBondContact O-N 2.91Å; A121-Q125 WeakPolarHBondContact O-CB 3.16Å; A121-Q125 WeakPolarHBondContact O-CG 3.27Å; A121-Q125 PolarHBondContact O-N 2.89Å; A121-Q125 PolarHBondContact O-OE1 3.48Å
122	M	97.1	Very high	96.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-38.6	-176.2	-69.1	-177.1	177.1	0	0	112.8	V77 L80 A118 M119 Q125 Q126 G127 I130 I171	V77-M122 HydrophobicContact CG1-CE 4.49Å; L80-M122 HydrophobicContact CB-CE 4.25Å; A118-M122 HydrophobicContact CB-CE 4.13Å; A118-M122 HydrophobicContact CB-SD 4.28Å; A118-M122 WeakPolarHBondContact O-CG 3.49Å; A118-M122 PolarHBondContact O-N 3.31Å; A118-M122 VanDerWaalsContact O-N 3.11Å; M119-M122 HydrophobicContact CE-SD 3.89Å; M119-M122 PolarHBondContact O-N 3.45Å; M122-Q125 PolarHBondContact O-N 3.05Å; M122-Q126 PolarHBondContact O-N 3.41Å; M122-G127 PolarHBondContact O-N 2.99Å; M122-G127 VanDerWaalsContact O-N 3.09Å; M122-I130 HydrophobicContact CE-CD1 4.39Å; M122-I130 HydrophobicContact CE-CG1 4.1Å; M122-I130 HydrophobicContact SD-CD1 3.96Å; M122-I130 HydrophobicContact SD-CG1 4.04Å; M122-I171 HydrophobicContact CB-CD1 3.57Å; M122-I171 HydrophobicContact CB-CG1 4.01Å; M122-I171 HydrophobicContact SD-CG2 4.15Å
123	I	96.1	Very high	96.6	Very high	69 Å²	69	36.3 Å²	36.3	35%	0.354	18%	0.175	S	C	.	.	H	α-helix	trans	-67.9	-43.9	178	-69.8	172	0	0	0	110.6	M119 A121 Q125 Q126 K169 I171	M119-I123 HydrophobicContact CB-CD1 4.01Å; M119-I123 VanDerWaalsContact O-CB 3.25Å; M119-I123 WeakPolarHBondContact O-CB 3.41Å; M119-I123 WeakPolarHBondContact O-CG1 3.31Å; M119-I123 PolarHBondContact O-N 2.9Å; A121-I123 VanDerWaalsContact C-N 3.33Å; A121-I123 PolarHBondContact O-N 2.86Å; I123-Q125 VanDerWaalsContact C-N 3.26Å; I123-Q125 PolarHBondContact O-N 3.04Å; I123-Q126 PolarHBondContact O-N 3.03Å; I123-K169 HydrophobicContact CG2-CG 4.47Å; I123-I171 HydrophobicContact CG1-CD1 3.73Å
124	Q	92.3	Very high	96.6	Very high	129 Å²	129	35.6 Å²	35.6	60%	0.603	17%	0.172	S	C	*	.	H	α-helix	trans	-62.6	-35	177.2	-71.8	175.9	0.4	0	0	111.9	R120 A121	R120-Q124 VanDerWaalsContact O-CG 3.23Å; R120-Q124 WeakPolarHBondContact O-CG 3.42Å; A121-Q124 PolarHBondContact O-N 2.91Å
125	Q	92.4	Very high	96.5	Very high	55 Å²	55	36.2 Å²	36.2	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-83.6	-10.8	177.7	-67.2	177.5	-64.1	0	0	114.2	A121 M122 I123 G127	A121-Q125 WeakPolarHBondContact O-CB 3.16Å; A121-Q125 WeakPolarHBondContact O-CG 3.27Å; A121-Q125 PolarHBondContact O-N 2.89Å; A121-Q125 PolarHBondContact O-OE1 3.48Å; M122-Q125 PolarHBondContact O-N 3.05Å; I123-Q125 VanDerWaalsContact C-N 3.26Å; I123-Q125 PolarHBondContact O-N 3.04Å; Q125-G127 VanDerWaalsContact C-N 3.32Å; Q125-G127 PolarHBondContact O-N 3.33Å
126	Q	94.4	Very high	96.5	Very high	101 Å²	101	36.3 Å²	36.3	47%	0.472	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	50.6	-169.7	-57.9	-166.9	-18.7	0	0	112.6	M122 I123 K169 K170	M122-Q126 PolarHBondContact O-N 3.41Å; I123-Q126 PolarHBondContact O-N 3.03Å; Q126-K169 CarbonylContact C-O 3.56Å; Q126-K169 WeakPolarHBondContact CA-O 3.1Å; Q126-K170 WeakPolarHBondContact O-CB 3.11Å; Q126-K170 WeakPolarHBondContact O-CD 3.33Å
127	G	96.6	Very high	96.4	Very high	14 Å²	14	31 Å²	31	14%	0.144	16%	0.155	C	C	.	.			trans	-175	137.7	178.4	0	0	0	0	0	112.9	M122 Q125 K169	M122-G127 PolarHBondContact O-N 2.99Å; M122-G127 VanDerWaalsContact O-N 3.09Å; Q125-G127 VanDerWaalsContact C-N 3.32Å; Q125-G127 PolarHBondContact O-N 3.33Å; G127-K169 PolarHBondContact N-O 3.14Å
128	G	98	Very high	96.4	Very high	13 Å²	13	30.7 Å²	30.7	13%	0.134	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	160.7	173.7	0	0	0	0	0	113.4	N78 K170 I171 R172	N78-G128 CarbonylContact O-C 3.55Å; N78-G128 VanDerWaalsContact O-CA 3.28Å; N78-G128 WeakPolarHBondContact O-CA 3.4Å; G128-K170 PolarHBondContact N-O 3.3Å; G128-I171 CarbonylContact O-C 3.59Å; G128-I171 WeakPolarHBondContact O-CA 3.46Å; G128-R172 PolarHBondContact O-N 3.38Å
129	S	98.8	Very high	96.4	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	128.2	172.4	-169	0	0	0	0	111.4	N78 F79 L80 R172 L217	N78-S129 PolarHBondContact O-N 3.23Å; F79-S129 VanDerWaalsContact CA-O 3.32Å; F79-S129 WeakPolarHBondContact CA-O 3.44Å; L80-S129 PolarHBondContact N-O 3.39Å; S129-R172 CarbonylContact C-O 3.58Å; S129-R172 WeakPolarHBondContact CA-O 3.45Å; S129-R172 PolarHBondContact OG-NH1 2.82Å; S129-R172 PolarHBondContact OG-NH2 3.15Å; S129-R172 VanDerWaalsContact OG-NH2 3.07Å; S129-L217 WeakPolarHBondContact O-CD2 3.44Å; S129-L217 WeakPolarHBondContact OG-CA 3.48Å; S129-L217 PolarHBondContact OG-O 3.15Å
130	I	98.9	Very high	96.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.3	-175.7	-53.4	-169.5	0	0	0	109.5	L80 M119 M122 R172 V173 N174	L80-I130 HydrophobicContact CB-CB 4.45Å; L80-I130 HydrophobicContact CB-CD1 4.5Å; L80-I130 HydrophobicContact CB-CG1 4.06Å; L80-I130 HydrophobicContact CB-CG2 4.19Å; L80-I130 HydrophobicContact CD2-CD1 4.12Å; L80-I130 HydrophobicContact CD2-CG1 4.5Å; L80-I130 HydrophobicContact CD2-CG2 4.04Å; L80-I130 HydrophobicContact CG-CG2 4.25Å; L80-I130 WeakPolarHBondContact O-CA 3.41Å; M119-I130 HydrophobicContact CE-CD1 3.22Å; M119-I130 HydrophobicContact CE-CG1 4.47Å; M122-I130 HydrophobicContact CE-CD1 4.39Å; M122-I130 HydrophobicContact CE-CG1 4.1Å; M122-I130 HydrophobicContact SD-CD1 3.96Å; M122-I130 HydrophobicContact SD-CG1 4.04Å; I130-R172 PolarHBondContact N-O 2.8Å; I130-V173 HydrophobicContact CB-CB 4.47Å; I130-V173 HydrophobicContact CB-CG1 4.26Å; I130-V173 HydrophobicContact CB-CG2 4.24Å; I130-V173 HydrophobicContact CD1-CG2 4.35Å; I130-V173 HydrophobicContact CG1-CG2 4.44Å; I130-V173 HydrophobicContact CG2-CG1 4.35Å; I130-V173 WeakPolarHBondContact O-CA 3.47Å; I130-N174 PolarHBondContact O-N 3.44Å
131	V	98.9	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.5	168.8	176.3	0	0	0	0	110	L80 V81 N82 N174 V176 V213 L216 L217	L80-V131 PolarHBondContact O-N 2.67Å; V81-V131 WeakPolarHBondContact CA-O 3.21Å; N82-V131 PolarHBondContact N-O 2.75Å; V131-N174 WeakPolarHBondContact CA-O 3.35Å; V131-V176 HydrophobicContact CG1-CB 4.37Å; V131-V176 HydrophobicContact CG1-CG1 4.09Å; V131-V213 HydrophobicContact CB-CG1 4.14Å; V131-V213 HydrophobicContact CG1-CB 4.37Å; V131-V213 HydrophobicContact CG1-CG1 4.01Å; V131-V213 HydrophobicContact CG1-CG2 4.05Å; V131-V213 HydrophobicContact CG2-CG1 4.47Å; V131-L216 HydrophobicContact CG1-CD1 4.32Å; V131-L216 HydrophobicContact CG2-CB 3.62Å; V131-L216 HydrophobicContact CG2-CD1 4.3Å; V131-L217 HydrophobicContact CB-CD2 4.23Å; V131-L217 HydrophobicContact CG2-CD2 3.62Å; V131-L217 HydrophobicContact CG2-CG 3.79Å
132	N	98.9	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.3	170.2	-63.8	-46.7	0	0	0	109.7	N82 G134 S159 N174 V175 V176	N82-N132 WeakPolarHBondContact CB-OD1 3.26Å; N82-N132 PolarHBondContact ND2-OD1 3.18Å; N132-G134 PolarHBondContact O-N 2.98Å; N132-S159 PolarHBondContact ND2-OG 3.33Å; N132-N174 PolarHBondContact N-O 2.7Å; N132-V175 HydrophobicContact CB-CG2 4.41Å; N132-V175 VanDerWaalsContact O-CA 3.29Å; N132-V175 WeakPolarHBondContact O-CA 3.49Å; N132-V175 WeakPolarHBondContact O-CG1 3.41Å; N132-V176 PolarHBondContact O-N 3.2Å
133	V	98.9	Very high	96.8	Very high	10 Å²	10	38.7 Å²	38.7	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	100.5	176.2	-175.6	0	0	0	0	109.5	I14 V81 N82 A83 K152 V176 P178	I14-V133 HydrophobicContact CD1-CG1 4.27Å; V81-V133 HydrophobicContact CG1-CG2 4.48Å; N82-V133 WeakPolarHBondContact O-CB 3.36Å; N82-V133 WeakPolarHBondContact O-CG2 3.43Å; N82-V133 PolarHBondContact O-N 2.82Å; A83-V133 HydrophobicContact CB-CB 4.48Å; A83-V133 HydrophobicContact CB-CG2 3.85Å; V133-K152 PolarHBondContact O-NZ 2.93Å; V133-V176 HydrophobicContact CB-CG1 4.2Å; V133-V176 HydrophobicContact CG1-CG1 4.13Å; V133-V176 HydrophobicContact CG2-CG1 3.92Å; V133-P178 HydrophobicContact CG1-CG 4.31Å
134	G	98.4	Very high	96.7	Very high	5 Å²	5	36.5 Å²	36.5	5%	0.052	21%	0.214	C	C	.	.			trans	-83	-148.4	174.4	0	0	0	0	0	112.9	N132 V176 P178	N132-G134 PolarHBondContact O-N 2.98Å; G134-V176 WeakPolarHBondContact CA-O 3.47Å; G134-V176 PolarHBondContact N-O 3.01Å; G134-P178 WeakPolarHBondContact O-CD 3.24Å
135	S	98.3	Very high	96.9	Very high	13 Å²	13	31.1 Å²	31.1	9%	0.091	19%	0.189	C	C	.	.			trans	-164.6	151.3	170.5	174.1	0	0	0	0	108.3	V137 G138	S135-V137 PolarHBondContact O-N 3.33Å; S135-V137 WeakPolarHBondContact OG-CB 3.42Å; S135-V137 PolarHBondContact OG-N 3.28Å; S135-V137 VanDerWaalsContact OG-N 3.14Å; S135-G138 PolarHBondContact O-N 3.07Å
136	I	97.8	Very high	97.2	Very high	3 Å²	3	31 Å²	31	2%	0.015	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	169.8	66.1	172.3	0	0	0	112.3	G138 L139 K140 A177 P178 V228 D230 L233 L237	I136-G138 PolarHBondContact O-N 2.97Å; I136-L139 WeakPolarHBondContact O-CA 3.25Å; I136-L139 WeakPolarHBondContact O-CB 3.21Å; I136-L139 PolarHBondContact O-N 3.16Å; I136-K140 PolarHBondContact O-N 3.3Å; I136-A177 HydrophobicContact CG2-CB 4.35Å; I136-A177 WeakPolarHBondContact CG2-O 3.44Å; I136-P178 PolarHBondContact N-O 3.27Å; I136-V228 HydrophobicContact CG2-CG1 3.59Å; I136-D230 HydrophobicContact CD1-CB 4.06Å; I136-D230 HydrophobicContact CG2-CB 3.97Å; I136-L233 HydrophobicContact CD1-CB 4.1Å; I136-L233 HydrophobicContact CD1-CD2 3.63Å; I136-L233 HydrophobicContact CD1-CG 3.78Å; I136-L237 HydrophobicContact CD1-CD2 4.36Å
137	V	97.2	Very high	97.4	Very high	11 Å²	11	26.9 Å²	26.9	7%	0.067	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-30.4	174.7	175	0	0	0	0	111	S135 L139 G141 N142 Q145 Y148 S149	S135-V137 PolarHBondContact O-N 3.33Å; S135-V137 WeakPolarHBondContact OG-CB 3.42Å; S135-V137 PolarHBondContact OG-N 3.28Å; S135-V137 VanDerWaalsContact OG-N 3.14Å; V137-L139 PolarHBondContact O-N 3.4Å; V137-G141 WeakPolarHBondContact O-CA 3.43Å; V137-G141 PolarHBondContact O-N 3.4Å; V137-N142 HydrophobicContact CB-CB 4.45Å; V137-N142 HydrophobicContact CG1-CB 3.78Å; V137-N142 HydrophobicContact CG2-CB 3.96Å; V137-Q145 HydrophobicContact CG1-CB 4.11Å; V137-Y148 HydrophobicContact CB-CD1 4.34Å; V137-Y148 HydrophobicContact CB-CE1 4.33Å; V137-Y148 HydrophobicContact CG1-CD1 3.95Å; V137-Y148 HydrophobicContact CG1-CE1 4.43Å; V137-S149 WeakPolarHBondContact CG1-OG 3.43Å; V137-S149 WeakPolarHBondContact O-CB 3.49Å; V137-S149 PolarHBondContact O-OG 3.44Å
138	G	97.3	Very high	97.5	Very high	15 Å²	15	27.3 Å²	27.3	16%	0.155	17%	0.173	C	C	.	.	H	α-helix	trans	-70.9	-16.5	171.5	0	0	0	0	0	114.4	S135 I136 S149 G153	S135-G138 PolarHBondContact O-N 3.07Å; I136-G138 PolarHBondContact O-N 2.97Å; G138-S149 WeakPolarHBondContact CA-O 3.12Å; G138-G153 WeakPolarHBondContact O-CA 3.38Å
139	L	97.9	Very high	97.5	Very high	75 Å²	75	27.5 Å²	27.5	39%	0.393	17%	0.172	S	C	.	.	H	α-helix	trans	-98	-41.9	-179.1	-55.1	179.5	0	0	0	112.1	I136 V137 V156 A177 V226 V228	I136-L139 WeakPolarHBondContact O-CA 3.25Å; I136-L139 WeakPolarHBondContact O-CB 3.21Å; I136-L139 PolarHBondContact O-N 3.16Å; V137-L139 PolarHBondContact O-N 3.4Å; L139-V156 HydrophobicContact CD2-CG2 3.55Å; L139-A177 HydrophobicContact CD1-CB 4.05Å; L139-V226 HydrophobicContact CD1-CG1 4.07Å; L139-V226 HydrophobicContact CD2-CG1 4.43Å; L139-V228 HydrophobicContact CD1-CG2 4.14Å
140	K	96.7	Very high	97.5	Very high	103 Å²	103	30.1 Å²	30.1	45%	0.448	19%	0.194	S	C	.	.	H	α-helix	trans	-111.6	-15.8	-171.5	-63.6	-165.6	135.5	-134.4	0	114	I136 Q234 L237	I136-K140 PolarHBondContact O-N 3.3Å; K140-Q234 HydrophobicContact CD-CB 3.9Å; K140-Q234 WeakPolarHBondContact CE-O 3.44Å; K140-Q234 PolarHBondContact NZ-O 3.02Å; K140-L237 HydrophobicContact CB-CD2 4.25Å; K140-L237 HydrophobicContact CD-CB 4.49Å; K140-L237 WeakPolarHBondContact CD-O 3.43Å; K140-L237 PolarHBondContact NZ-O 3.1Å
141	G	96.1	Very high	97.5	Very high	27 Å²	27	30.1 Å²	30.1	28%	0.278	19%	0.194	S	C	.	.			trans	77.8	166.4	-168.5	0	0	0	0	0	112.3	V137	V137-G141 WeakPolarHBondContact O-CA 3.43Å; V137-G141 PolarHBondContact O-N 3.4Å
142	N	94.6	Very high	97.5	Very high	60 Å²	60	30.6 Å²	30.6	32%	0.321	20%	0.196	S	C	.	.			trans	-152.7	139.3	166.1	-178.4	43.5	0	0	0	108.4	V137 G144 Q145	V137-N142 HydrophobicContact CB-CB 4.45Å; V137-N142 HydrophobicContact CG1-CB 3.78Å; V137-N142 HydrophobicContact CG2-CB 3.96Å; N142-G144 PolarHBondContact O-N 3.23Å; N142-Q145 HydrophobicContact CB-CB 4.39Å; N142-Q145 PolarHBondContact ND2-OE1 3.24Å; N142-Q145 PolarHBondContact O-N 3.4Å; N142-Q145 VanDerWaalsContact O-N 3.1Å
143	S	94.7	Very high	97.4	Very high	108 Å²	108	31.8 Å²	31.8	76%	0.755	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	135.2	179.6	-172	0	0	0	0	110.4	Q145	S143-Q145 VanDerWaalsContact C-N 3.34Å
144	G	94.3	Very high	97.4	Very high	22 Å²	22	32.6 Å²	32.6	23%	0.227	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	4.1	-174.8	0	0	0	0	0	115.1	D89 S90 N142	D89-G144 WeakPolarHBondContact CA-O 3.15Å; S90-G144 PolarHBondContact N-O 3.2Å; S90-G144 CarbonylContact O-C 3.55Å; N142-G144 PolarHBondContact O-N 3.23Å
145	Q	96.4	Very high	97.5	Very high	17 Å²	17	32.4 Å²	32.4	8%	0.079	22%	0.216	C	C	.	.			trans	-131.9	32.4	-176.8	-58.9	-166.7	-63.4	0	0	113	N87 D89 V137 N142 S143 V147 Y148 S149	N87-Q145 PolarHBondContact ND2-NE2 2.82Å; D89-Q145 WeakPolarHBondContact OD1-CG 3.4Å; D89-Q145 PolarHBondContact OD1-NE2 3.2Å; V137-Q145 HydrophobicContact CG1-CB 4.11Å; N142-Q145 HydrophobicContact CB-CB 4.39Å; N142-Q145 PolarHBondContact ND2-OE1 3.24Å; N142-Q145 PolarHBondContact O-N 3.4Å; N142-Q145 VanDerWaalsContact O-N 3.1Å; S143-Q145 VanDerWaalsContact C-N 3.34Å; Q145-V147 PolarHBondContact O-N 3.2Å; Q145-Y148 PolarHBondContact O-N 3.02Å; Q145-S149 VanDerWaalsContact O-CB 3.29Å; Q145-S149 WeakPolarHBondContact O-CB 3.41Å; Q145-S149 PolarHBondContact O-N 3.27Å; Q145-S149 PolarHBondContact O-OG 2.8Å
146	S	98.2	Very high	97.5	Very high	52 Å²	52	32.5 Å²	32.5	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-57.9	-43.8	-173.9	55	0	0	0	0	113.4	S149 A150	S146-S149 WeakPolarHBondContact O-CB 3.32Å; S146-A150 PolarHBondContact O-N 2.7Å
147	V	98.4	Very high	97.5	Very high	14 Å²	14	34.5 Å²	34.5	9%	0.085	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-45.8	177.9	-178.8	0	0	0	0	111.6	T95 M100 Q103 Q145 S149 A150 S151	T95-V147 HydrophobicContact CG2-CG2 4.07Å; M100-V147 HydrophobicContact CB-CG1 4.2Å; M100-V147 HydrophobicContact CB-CG2 4.33Å; M100-V147 HydrophobicContact CG-CG2 3.89Å; M100-V147 HydrophobicContact SD-CG2 4.43Å; Q103-V147 HydrophobicContact CB-CG1 3.89Å; Q145-V147 PolarHBondContact O-N 3.2Å; V147-S149 VanDerWaalsContact C-N 3.28Å; V147-S149 PolarHBondContact O-N 3.22Å; V147-A150 WeakPolarHBondContact O-CB 3.42Å; V147-A150 PolarHBondContact O-N 2.89Å; V147-S151 PolarHBondContact O-N 3.11Å
148	Y	98.3	Very high	97.6	Very high	23 Å²	23	36.1 Å²	36.1	9%	0.09	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-43	176.8	-178.3	-98.6	0	0	0	110.8	N87 V137 Q145 A150 S151 K152	N87-Y148 HydrophobicContact CB-CD2 3.77Å; N87-Y148 HydrophobicContact CB-CE2 3.83Å; N87-Y148 HydrophobicContact CB-CG 4.48Å; N87-Y148 WeakPolarHBondContact OD1-CB 3.28Å; N87-Y148 WeakPolarHBondContact OD1-CD2 3.28Å; V137-Y148 HydrophobicContact CB-CD1 4.34Å; V137-Y148 HydrophobicContact CB-CE1 4.33Å; V137-Y148 HydrophobicContact CG1-CD1 3.95Å; V137-Y148 HydrophobicContact CG1-CE1 4.43Å; Q145-Y148 PolarHBondContact O-N 3.02Å; Y148-A150 PolarHBondContact O-N 2.84Å; Y148-S151 WeakPolarHBondContact O-CB 3.49Å; Y148-S151 PolarHBondContact O-N 2.99Å; Y148-S151 VanDerWaalsContact O-N 3.15Å; Y148-S151 PolarHBondContact O-OG 2.91Å; Y148-K152 HydrophobicContact CD1-CG 4.25Å; Y148-K152 HydrophobicContact CE1-CG 3.78Å; Y148-K152 HydrophobicContact CE2-CG 4.12Å; Y148-K152 PolarHBondContact O-N 3.07Å; Y148-K152 WeakPolarHBondContact OH-CE 3.29Å
149	S	98.4	Very high	97.7	Very high	17 Å²	17	35.4 Å²	35.4	12%	0.119	24%	0.237	C	C	.	.	H	α-helix	trans	-56.5	-48.9	173.7	-53.7	0	0	0	0	111	V137 G138 Q145 S146 V147 S151 K152 G153	V137-S149 WeakPolarHBondContact CG1-OG 3.43Å; V137-S149 WeakPolarHBondContact O-CB 3.49Å; V137-S149 PolarHBondContact O-OG 3.44Å; G138-S149 WeakPolarHBondContact CA-O 3.12Å; Q145-S149 VanDerWaalsContact O-CB 3.29Å; Q145-S149 WeakPolarHBondContact O-CB 3.41Å; Q145-S149 PolarHBondContact O-N 3.27Å; Q145-S149 PolarHBondContact O-OG 2.8Å; S146-S149 WeakPolarHBondContact O-CB 3.32Å; V147-S149 VanDerWaalsContact C-N 3.28Å; V147-S149 PolarHBondContact O-N 3.22Å; S149-S151 VanDerWaalsContact C-N 3.32Å; S149-S151 PolarHBondContact O-N 3.38Å; S149-K152 PolarHBondContact O-N 2.77Å; S149-G153 PolarHBondContact O-N 2.87Å
150	A	98.7	Very high	97.7	Very high	58 Å²	58	37.9 Å²	37.9	48%	0.479	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-43.4	176	0	0	0	0	0	111.9	S146 V147 Y148 K152 G153 G154	S146-A150 PolarHBondContact O-N 2.7Å; V147-A150 WeakPolarHBondContact O-CB 3.42Å; V147-A150 PolarHBondContact O-N 2.89Å; Y148-A150 PolarHBondContact O-N 2.84Å; A150-K152 PolarHBondContact O-N 2.75Å; A150-G153 PolarHBondContact O-N 2.93Å; A150-G154 PolarHBondContact O-N 2.76Å
151	S	98.6	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-39.5	180	84.3	0	0	0	0	112.9	N107 V147 Y148 S149	N107-S151 WeakPolarHBondContact CB-OG 3.35Å; N107-S151 PolarHBondContact ND2-OG 3.46Å; V147-S151 PolarHBondContact O-N 3.11Å; Y148-S151 WeakPolarHBondContact O-CB 3.49Å; Y148-S151 PolarHBondContact O-N 2.99Å; Y148-S151 VanDerWaalsContact O-N 3.15Å; Y148-S151 PolarHBondContact O-OG 2.91Å; S149-S151 VanDerWaalsContact C-N 3.32Å; S149-S151 PolarHBondContact O-N 3.38Å
152	K	98.4	Very high	98	Very high	10 Å²	10	35 Å²	35	4%	0.043	23%	0.232	C	C	.	.	H	α-helix	trans	-84.1	-29.9	179.4	-64.4	-53.2	-169	173.4	0	112.8	V133 Y148 S149 A150 L155	V133-K152 PolarHBondContact O-NZ 2.93Å; Y148-K152 HydrophobicContact CD1-CG 4.25Å; Y148-K152 HydrophobicContact CE1-CG 3.78Å; Y148-K152 HydrophobicContact CE2-CG 4.12Å; Y148-K152 PolarHBondContact O-N 3.07Å; Y148-K152 WeakPolarHBondContact OH-CE 3.29Å; S149-K152 PolarHBondContact O-N 2.77Å; A150-K152 PolarHBondContact O-N 2.75Å; K152-L155 HydrophobicContact CD-CD1 3.9Å; K152-L155 WeakPolarHBondContact O-CB 3.25Å; K152-L155 PolarHBondContact O-N 3.01Å
153	G	98.6	Very high	98.2	Very high	25 Å²	25	32.4 Å²	32.4	26%	0.258	22%	0.219	S	C	.	.	H	α-helix	trans	-66.6	-39.5	172.7	0	0	0	0	0	112.2	G138 S149 A150 L155 V156	G138-G153 WeakPolarHBondContact O-CA 3.38Å; S149-G153 PolarHBondContact O-N 2.87Å; A150-G153 PolarHBondContact O-N 2.93Å; G153-L155 PolarHBondContact O-N 3.16Å; G153-V156 WeakPolarHBondContact O-CB 3.2Å; G153-V156 PolarHBondContact O-N 3.01Å
154	G	98.8	Very high	98.4	Very high	26 Å²	26	35.6 Å²	35.6	27%	0.268	22%	0.219	S	C	.	.	H	α-helix	trans	-57	-35.8	174.9	0	0	0	0	0	113.4	A150 V156 G157 F158	A150-G154 PolarHBondContact O-N 2.76Å; G154-V156 PolarHBondContact O-N 3.4Å; G154-G157 PolarHBondContact O-N 2.87Å; G154-F158 VanDerWaalsContact O-CB 3.24Å; G154-F158 WeakPolarHBondContact O-CB 3.39Å; G154-F158 PolarHBondContact O-N 3.19Å
155	L	98.9	Very high	98.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-29.7	178	-67.6	175.1	0	0	0	112.8	L108 S111 K152 G153 S159	L108-L155 HydrophobicContact CD1-CD2 3.91Å; L108-L155 HydrophobicContact CD1-CG 4.21Å; S111-L155 VanDerWaalsContact CB-CD2 3.48Å; K152-L155 HydrophobicContact CD-CD1 3.9Å; K152-L155 WeakPolarHBondContact O-CB 3.25Å; K152-L155 PolarHBondContact O-N 3.01Å; G153-L155 PolarHBondContact O-N 3.16Å; L155-S159 WeakPolarHBondContact O-CB 3.33Å; L155-S159 PolarHBondContact O-N 3.31Å; L155-S159 PolarHBondContact O-OG 2.85Å
156	V	98.9	Very high	98.7	Very high	15 Å²	15	41 Å²	41	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-70.3	-51.9	-179.4	177.1	0	0	0	0	110.7	L139 G153 G154 S159 R160 V226	L139-V156 HydrophobicContact CD2-CG2 3.55Å; G153-V156 WeakPolarHBondContact O-CB 3.2Å; G153-V156 PolarHBondContact O-N 3.01Å; G154-V156 PolarHBondContact O-N 3.4Å; V156-S159 PolarHBondContact O-N 2.97Å; V156-R160 WeakPolarHBondContact O-CB 3.14Å; V156-R160 WeakPolarHBondContact O-CG 3.23Å; V156-R160 PolarHBondContact O-N 2.84Å; V156-R160 VanDerWaalsContact O-N 3.08Å; V156-V226 HydrophobicContact CB-CG2 4.45Å; V156-V226 HydrophobicContact CG1-CG2 3.73Å; V156-V226 HydrophobicContact CG2-CG2 4.13Å
157	G	98.9	Very high	98.7	Very high	46 Å²	46	40.6 Å²	40.6	47%	0.474	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-47.6	177	0	0	0	0	0	111.2	G154 R160 A161	G154-G157 PolarHBondContact O-N 2.87Å; G157-R160 PolarHBondContact O-N 2.88Å; G157-A161 WeakPolarHBondContact O-CB 3.46Å; G157-A161 PolarHBondContact O-N 2.64Å
158	F	98.9	Very high	98.7	Very high	44 Å²	44	51.2 Å²	51.2	19%	0.193	28%	0.277	C	S	.	.	H	α-helix	trans	-56.3	-53	176.6	168.8	-113.5	0	0	0	112.4	M112 C115 G154 R160 A161 L162	M112-F158 HydrophobicContact CB-CE2 4.18Å; M112-F158 HydrophobicContact CB-CZ 4.08Å; M112-F158 HydrophobicContact CE-CD2 4.47Å; M112-F158 HydrophobicContact CG-CD1 4.08Å; M112-F158 HydrophobicContact CG-CD2 3.83Å; M112-F158 HydrophobicContact CG-CE1 4.01Å; M112-F158 HydrophobicContact CG-CE2 3.78Å; M112-F158 HydrophobicContact CG-CG 3.98Å; M112-F158 HydrophobicContact CG-CZ 3.87Å; C115-F158 HydrophobicContact CB-CE1 4.15Å; C115-F158 HydrophobicContact CB-CZ 3.75Å; G154-F158 VanDerWaalsContact O-CB 3.24Å; G154-F158 WeakPolarHBondContact O-CB 3.39Å; G154-F158 PolarHBondContact O-N 3.19Å; F158-R160 VanDerWaalsContact C-N 3.33Å; F158-R160 PolarHBondContact O-N 2.86Å; F158-A161 PolarHBondContact O-N 3.21Å; F158-L162 HydrophobicContact CE1-CD2 4.44Å; F158-L162 HydrophobicContact CE2-CD2 4.39Å; F158-L162 HydrophobicContact CZ-CD2 3.88Å; F158-L162 WeakPolarHBondContact O-CB 3.14Å; F158-L162 PolarHBondContact O-N 2.89Å
159	S	98.9	Very high	98.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-37.7	-176.6	-59.1	0	0	0	0	112.2	N132 L155 V156 A163 V175	N132-S159 PolarHBondContact ND2-OG 3.33Å; L155-S159 WeakPolarHBondContact O-CB 3.33Å; L155-S159 PolarHBondContact O-N 3.31Å; L155-S159 PolarHBondContact O-OG 2.85Å; V156-S159 PolarHBondContact O-N 2.97Å; S159-A163 WeakPolarHBondContact O-CB 3.39Å; S159-A163 PolarHBondContact O-N 3.44Å; S159-V175 VanDerWaalsContact OG-CG2 3.25Å; S159-V175 WeakPolarHBondContact OG-CG2 3.37Å
160	R	98.9	Very high	98.7	Very high	126 Å²	126	60.8 Å²	60.8	48%	0.475	32%	0.317	S	S	.	.	H	α-helix	trans	-66.9	-42.6	175.7	-76.9	171.9	175	166.5	0.7	112.2	V156 G157 F158 K164 G224	V156-R160 WeakPolarHBondContact O-CB 3.14Å; V156-R160 WeakPolarHBondContact O-CG 3.23Å; V156-R160 PolarHBondContact O-N 2.84Å; V156-R160 VanDerWaalsContact O-N 3.08Å; G157-R160 PolarHBondContact O-N 2.88Å; F158-R160 VanDerWaalsContact C-N 3.33Å; F158-R160 PolarHBondContact O-N 2.86Å; R160-K164 WeakPolarHBondContact O-CG 3.43Å; R160-K164 PolarHBondContact O-N 3.01Å; R160-G224 VanDerWaalsContact CG-O 3.32Å; R160-G224 WeakPolarHBondContact CG-O 3.15Å
161	A	98.9	Very high	98.7	Very high	57 Å²	57	58.1 Å²	58.1	47%	0.471	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-50.7	176.5	0	0	0	0	0	110.5	G157 F158 A163 K164 E165	G157-A161 WeakPolarHBondContact O-CB 3.46Å; G157-A161 PolarHBondContact O-N 2.64Å; F158-A161 PolarHBondContact O-N 3.21Å; A161-A163 VanDerWaalsContact C-N 3.35Å; A161-A163 PolarHBondContact O-N 3.11Å; A161-K164 PolarHBondContact O-N 3.22Å; A161-K164 VanDerWaalsContact O-N 3.16Å; A161-E165 PolarHBondContact O-N 2.99Å
162	L	98.9	Very high	98.7	Very high	14 Å²	14	59.7 Å²	59.7	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-43.9	178.3	-174.1	62.9	0	0	0	111.5	C115 M119 F158 K164 E165 V166 V173	C115-L162 HydrophobicContact CB-CD2 3.91Å; M119-L162 HydrophobicContact SD-CD1 4.26Å; F158-L162 HydrophobicContact CE1-CD2 4.44Å; F158-L162 HydrophobicContact CE2-CD2 4.39Å; F158-L162 HydrophobicContact CZ-CD2 3.88Å; F158-L162 WeakPolarHBondContact O-CB 3.14Å; F158-L162 PolarHBondContact O-N 2.89Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 3.03Å; L162-E165 WeakPolarHBondContact O-CB 3.31Å; L162-E165 PolarHBondContact O-N 2.98Å; L162-E165 VanDerWaalsContact O-N 3.09Å; L162-V166 HydrophobicContact CD1-CG1 4.03Å; L162-V166 HydrophobicContact CG-CG2 4.41Å; L162-V166 VanDerWaalsContact O-CG2 3.31Å; L162-V166 WeakPolarHBondContact O-CG2 3.4Å; L162-V166 PolarHBondContact O-N 2.89Å; L162-V173 HydrophobicContact CD2-CG1 4.26Å; L162-V173 HydrophobicContact CD2-CG2 4.02Å; L162-V173 HydrophobicContact CG-CG2 4.05Å
163	A	98.9	Very high	98.7	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-54.4	-44.9	175.9	0	0	0	0	0	112.4	S159 A161 A167 V173	S159-A163 WeakPolarHBondContact O-CB 3.39Å; S159-A163 PolarHBondContact O-N 3.44Å; A161-A163 VanDerWaalsContact C-N 3.35Å; A161-A163 PolarHBondContact O-N 3.11Å; A163-A167 WeakPolarHBondContact O-CB 3.31Å; A163-A167 PolarHBondContact O-N 3.45Å; A163-V173 HydrophobicContact CB-CB 4.14Å
164	K	98.8	Very high	98.7	Very high	176 Å²	176	58 Å²	58	77%	0.765	29%	0.286	S	S	*	.	H	α-helix	trans	-64.5	-41.4	176.9	-70.9	176.2	180	-177.1	0	111.8	R160 A161 L162	R160-K164 WeakPolarHBondContact O-CG 3.43Å; R160-K164 PolarHBondContact O-N 3.01Å; A161-K164 PolarHBondContact O-N 3.22Å; A161-K164 VanDerWaalsContact O-N 3.16Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 3.03Å
165	E	98.6	Very high	98.7	Very high	147 Å²	147	56.9 Å²	56.9	69%	0.687	27%	0.274	S	S	*	.	H	α-helix	trans	-62.4	-44.2	-179	-172	-177.9	132	0	0	112	A161 L162	A161-E165 PolarHBondContact O-N 2.99Å; L162-E165 WeakPolarHBondContact O-CB 3.31Å; L162-E165 PolarHBondContact O-N 2.98Å; L162-E165 VanDerWaalsContact O-N 3.09Å
166	V	98.5	Very high	98.7	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-108.1	-3	-169.4	-54.9	0	0	0	0	115.4	M119 L162 R168 K169 I171 V173	M119-V166 HydrophobicContact SD-CB 4.38Å; M119-V166 HydrophobicContact SD-CG1 3.81Å; M119-V166 HydrophobicContact SD-CG2 4.2Å; L162-V166 HydrophobicContact CD1-CG1 4.03Å; L162-V166 HydrophobicContact CG-CG2 4.41Å; L162-V166 VanDerWaalsContact O-CG2 3.31Å; L162-V166 WeakPolarHBondContact O-CG2 3.4Å; L162-V166 PolarHBondContact O-N 2.89Å; V166-R168 VanDerWaalsContact C-N 3.25Å; V166-R168 PolarHBondContact O-N 3.29Å; V166-K169 WeakPolarHBondContact O-CA 3.28Å; V166-K169 WeakPolarHBondContact O-CB 3.41Å; V166-K169 PolarHBondContact O-N 2.84Å; V166-I171 HydrophobicContact CB-CB 4.14Å; V166-I171 HydrophobicContact CB-CD1 4.19Å; V166-I171 HydrophobicContact CG2-CB 3.64Å; V166-I171 HydrophobicContact CG2-CD1 4.41Å; V166-I171 HydrophobicContact CG2-CG2 3.66Å; V166-V173 HydrophobicContact CG2-CG2 4.25Å
167	A	98.4	Very high	98.7	Very high	45 Å²	45	56.2 Å²	56.2	37%	0.372	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.3	-37.2	-179.3	0	0	0	0	0	113.6	A163 K169 K170	A163-A167 WeakPolarHBondContact O-CB 3.31Å; A163-A167 PolarHBondContact O-N 3.45Å; A167-K169 PolarHBondContact O-N 3.38Å; A167-K169 VanDerWaalsContact O-N 3.14Å; A167-K170 PolarHBondContact O-N 3.47Å
168	R	97.8	Very high	98.7	Very high	236 Å²	236	54.3 Å²	54.3	89%	0.891	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-65.2	-14.7	177.5	-64.6	-63.8	-174.7	171.1	0.8	113.3	V166	V166-R168 VanDerWaalsContact C-N 3.25Å; V166-R168 PolarHBondContact O-N 3.29Å
169	K	98.2	Very high	98.6	Very high	91 Å²	91	52.9 Å²	52.9	40%	0.396	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-96.3	14.8	173.3	-53.9	-59.9	-177.6	-179.1	0	112.6	I123 Q126 G127 V166 A167 I171	I123-K169 HydrophobicContact CG2-CG 4.47Å; Q126-K169 CarbonylContact C-O 3.56Å; Q126-K169 WeakPolarHBondContact CA-O 3.1Å; G127-K169 PolarHBondContact N-O 3.14Å; V166-K169 WeakPolarHBondContact O-CA 3.28Å; V166-K169 WeakPolarHBondContact O-CB 3.41Å; V166-K169 PolarHBondContact O-N 2.84Å; A167-K169 PolarHBondContact O-N 3.38Å; A167-K169 VanDerWaalsContact O-N 3.14Å; K169-I171 HydrophobicContact CB-CD1 4.08Å; K169-I171 HydrophobicContact CB-CG1 4.31Å; K169-I171 PolarHBondContact O-N 3.02Å
170	K	98.2	Very high	98.5	Very high	151 Å²	151	54.6 Å²	54.6	66%	0.657	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	31.1	-177.8	-49.1	173.1	-179.7	168.6	0	113.3	Q126 G128 A167	Q126-K170 WeakPolarHBondContact O-CB 3.11Å; Q126-K170 WeakPolarHBondContact O-CD 3.33Å; G128-K170 PolarHBondContact N-O 3.3Å; A167-K170 PolarHBondContact O-N 3.47Å
171	I	98.7	Very high	98.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.7	175.5	-57.8	167.2	0	0	0	108.4	M119 M122 I123 G128 V166 K169 V173	M119-I171 HydrophobicContact CE-CG2 4.15Å; M119-I171 HydrophobicContact SD-CD1 4.26Å; M122-I171 HydrophobicContact CB-CD1 3.57Å; M122-I171 HydrophobicContact CB-CG1 4.01Å; M122-I171 HydrophobicContact SD-CG2 4.15Å; I123-I171 HydrophobicContact CG1-CD1 3.73Å; G128-I171 CarbonylContact O-C 3.59Å; G128-I171 WeakPolarHBondContact O-CA 3.46Å; V166-I171 HydrophobicContact CB-CB 4.14Å; V166-I171 HydrophobicContact CB-CD1 4.19Å; V166-I171 HydrophobicContact CG2-CB 3.64Å; V166-I171 HydrophobicContact CG2-CD1 4.41Å; V166-I171 HydrophobicContact CG2-CG2 3.66Å; K169-I171 HydrophobicContact CB-CD1 4.08Å; K169-I171 HydrophobicContact CB-CG1 4.31Å; K169-I171 PolarHBondContact O-N 3.02Å; I171-V173 HydrophobicContact CG2-CG2 4.43Å
172	R	98.9	Very high	98.3	Very high	34 Å²	34	49.2 Å²	49.2	13%	0.128	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.1	178	-60.2	-178.1	-62.2	97.1	2.1	110.3	G128 S129 I130 L216 L217 S219 P220 V222 T223	G128-R172 PolarHBondContact O-N 3.38Å; S129-R172 CarbonylContact C-O 3.58Å; S129-R172 WeakPolarHBondContact CA-O 3.45Å; S129-R172 PolarHBondContact OG-NH1 2.82Å; S129-R172 PolarHBondContact OG-NH2 3.15Å; S129-R172 VanDerWaalsContact OG-NH2 3.07Å; I130-R172 PolarHBondContact N-O 2.8Å; R172-L216 PolarHBondContact NH1-O 2.77Å; R172-L217 PolarHBondContact NH2-O 3.47Å; R172-S219 PolarHBondContact NE-O 3.4Å; R172-S219 PolarHBondContact NH1-O 2.99Å; R172-P220 WeakPolarHBondContact CD-O 3.43Å; R172-V222 WeakPolarHBondContact CD-O 3.29Å; R172-V222 PolarHBondContact NH1-O 3.31Å; R172-T223 WeakPolarHBondContact CA-OG1 3.39Å
173	V	98.9	Very high	98	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	118.6	-179.8	-174.5	0	0	0	0	108.3	I130 L162 A163 V166 I171 T223 G224	I130-V173 HydrophobicContact CB-CB 4.47Å; I130-V173 HydrophobicContact CB-CG1 4.26Å; I130-V173 HydrophobicContact CB-CG2 4.24Å; I130-V173 HydrophobicContact CD1-CG2 4.35Å; I130-V173 HydrophobicContact CG1-CG2 4.44Å; I130-V173 HydrophobicContact CG2-CG1 4.35Å; I130-V173 WeakPolarHBondContact O-CA 3.47Å; L162-V173 HydrophobicContact CD2-CG1 4.26Å; L162-V173 HydrophobicContact CD2-CG2 4.02Å; L162-V173 HydrophobicContact CG-CG2 4.05Å; A163-V173 HydrophobicContact CB-CB 4.14Å; V166-V173 HydrophobicContact CG2-CG2 4.25Å; I171-V173 HydrophobicContact CG2-CG2 4.43Å; V173-T223 PolarHBondContact N-OG1 3.35Å; V173-T223 VanDerWaalsContact N-OG1 3.14Å; V173-G224 WeakPolarHBondContact O-CA 3.43Å; V173-G224 PolarHBondContact O-N 2.9Å
174	N	98.9	Very high	97.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	168.3	-178.6	-64.5	-68.2	0	0	0	111.2	I130 V131 N132 L216 V222 T223 G224 H225	I130-N174 PolarHBondContact O-N 3.44Å; V131-N174 WeakPolarHBondContact CA-O 3.35Å; N132-N174 PolarHBondContact N-O 2.7Å; N174-L216 HydrophobicContact CB-CB 4.35Å; N174-L216 HydrophobicContact CB-CD1 3.92Å; N174-L216 HydrophobicContact CB-CD2 4.1Å; N174-L216 HydrophobicContact CB-CG 4.37Å; N174-V222 PolarHBondContact ND2-O 3.02Å; N174-T223 VanDerWaalsContact OD1-C 3.25Å; N174-T223 WeakPolarHBondContact OD1-CA 3.33Å; N174-T223 PolarHBondContact OD1-N 3.23Å; N174-G224 PolarHBondContact OD1-N 3.04Å; N174-H225 PolarHBondContact OD1-N 3.1Å
175	V	98.9	Very high	96.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136	175	-176.1	0	0	0	0	108.8	N132 S159 H225 V226 L227	N132-V175 HydrophobicContact CB-CG2 4.41Å; N132-V175 VanDerWaalsContact O-CA 3.29Å; N132-V175 WeakPolarHBondContact O-CA 3.49Å; N132-V175 WeakPolarHBondContact O-CG1 3.41Å; S159-V175 VanDerWaalsContact OG-CG2 3.25Å; S159-V175 WeakPolarHBondContact OG-CG2 3.37Å; V175-H225 PolarHBondContact N-O 3.41Å; V175-V226 HydrophobicContact CB-CB 4.46Å; V175-V226 HydrophobicContact CB-CG1 4.23Å; V175-V226 HydrophobicContact CB-CG2 4.18Å; V175-V226 HydrophobicContact CG1-CG1 4.24Å; V175-V226 CarbonylContact O-C 3.37Å; V175-V226 WeakPolarHBondContact O-CA 3.49Å; V175-L227 PolarHBondContact O-N 2.86Å
176	V	98.9	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.1	159.7	66.1	0	0	0	0	108.2	V131 N132 V133 G134 P178 V209 A212 V213 L216 L227 V229	V131-V176 HydrophobicContact CG1-CB 4.37Å; V131-V176 HydrophobicContact CG1-CG1 4.09Å; N132-V176 PolarHBondContact O-N 3.2Å; V133-V176 HydrophobicContact CB-CG1 4.2Å; V133-V176 HydrophobicContact CG1-CG1 4.13Å; V133-V176 HydrophobicContact CG2-CG1 3.92Å; G134-V176 WeakPolarHBondContact CA-O 3.47Å; G134-V176 PolarHBondContact N-O 3.01Å; V176-P178 HydrophobicContact CG2-CG 4.46Å; V176-P178 WeakPolarHBondContact O-CD 3.45Å; V176-V209 HydrophobicContact CG1-CG1 4.4Å; V176-V209 HydrophobicContact CG2-CG1 4.15Å; V176-A212 HydrophobicContact CG2-CB 4.07Å; V176-V213 HydrophobicContact CB-CG2 4.32Å; V176-V213 HydrophobicContact CG1-CG2 3.68Å; V176-L216 HydrophobicContact CB-CD1 4.37Å; V176-L227 CarbonylContact C-O 3.52Å; V176-L227 WeakPolarHBondContact CA-O 3.16Å; V176-V229 HydrophobicContact CG2-CG2 3.93Å
177	A	98.7	Very high	95.8	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	89.4	179.3	0	0	0	0	0	109.7	I136 L139 V226 L227 V228 V229	I136-A177 HydrophobicContact CG2-CB 4.35Å; I136-A177 WeakPolarHBondContact CG2-O 3.44Å; L139-A177 HydrophobicContact CD1-CB 4.05Å; A177-V226 HydrophobicContact CB-CG1 3.76Å; A177-L227 PolarHBondContact N-O 2.94Å; A177-V228 HydrophobicContact CB-CG2 4.23Å; A177-V228 WeakPolarHBondContact O-CA 3.39Å; A177-V229 PolarHBondContact O-N 3.48Å
178	P	98.5	Very high	95.2	Very high	7 Å²	7	54.9 Å²	54.9	5%	0.045	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	152.5	177.4	-17.6	32.7	0	0	0	112.6	I14 V133 G134 I136 V176 V181 V209 V229	I14-P178 HydrophobicContact CD1-CG 4.16Å; V133-P178 HydrophobicContact CG1-CG 4.31Å; G134-P178 WeakPolarHBondContact O-CD 3.24Å; I136-P178 PolarHBondContact N-O 3.27Å; V176-P178 HydrophobicContact CG2-CG 4.46Å; V176-P178 WeakPolarHBondContact O-CD 3.45Å; P178-V181 HydrophobicContact CB-CG2 3.73Å; P178-V209 HydrophobicContact CB-CG1 4.46Å; P178-V209 HydrophobicContact CB-CG2 4.06Å; P178-V209 HydrophobicContact CG-CG1 3.7Å; P178-V209 HydrophobicContact CG-CG2 4.19Å; P178-V229 CarbonylContact C-O 3.59Å; P178-V229 VanDerWaalsContact CA-O 3.28Å; P178-V229 WeakPolarHBondContact CA-O 3.42Å
179	G	97.3	Very high	94.8	Very high	14 Å²	14	46.3 Å²	46.3	14%	0.144	23%	0.227	C	C	.	.			trans	-80.9	-142.3	162.3	0	0	0	0	0	112	V229	G179-V229 PolarHBondContact N-O 3.1Å
180	F	96.6	Very high	94.4	Very high	36 Å²	36	50.5 Å²	50.5	16%	0.158	25%	0.245	C	C	.	.	S	Bend	trans	-72.6	128.2	170.4	-64.6	-60.7	0	0	0	110.6	L189 L194 I198 F203 G204 L233	F180-L189 HydrophobicContact CD1-CD1 3.74Å; F180-L189 HydrophobicContact CE1-CD1 3.79Å; F180-L194 HydrophobicContact CE1-CD1 4.32Å; F180-L194 HydrophobicContact CE2-CB 4.23Å; F180-L194 HydrophobicContact CE2-CD1 4.19Å; F180-L194 HydrophobicContact CE2-CD2 4.33Å; F180-L194 HydrophobicContact CE2-CG 4.49Å; F180-L194 HydrophobicContact CZ-CD1 3.96Å; F180-L194 HydrophobicContact CZ-CD2 4.35Å; F180-I198 HydrophobicContact CD2-CD1 4.21Å; F180-F203 HydrophobicContact CB-CB 4.39Å; F180-F203 HydrophobicContact CB-CD1 3.5Å; F180-F203 VanDerWaalsContact CB-CD1 3.5Å; F180-F203 HydrophobicContact CB-CD2 3.75Å; F180-F203 HydrophobicContact CB-CE1 3.52Å; F180-F203 HydrophobicContact CB-CE2 3.77Å; F180-F203 HydrophobicContact CB-CG 3.6Å; F180-F203 HydrophobicContact CB-CZ 3.65Å; F180-F203 HydrophobicContact CD1-CE2 4.48Å; F180-F203 HydrophobicContact CD1-CZ 4.15Å; F180-F203 HydrophobicContact CD2-CD1 4.26Å; F180-F203 AromaticContact CD2-CE1 3.61Å; F180-F203 HydrophobicContact CD2-CE1 3.61Å; F180-F203 AromaticContact CD2-CZ 3.93Å; F180-F203 HydrophobicContact CD2-CZ 3.93Å; F180-F203 HydrophobicContact CE2-CE1 4.49Å; F180-F203 HydrophobicContact CG-CD1 4.17Å; F180-F203 AromaticContact CG-CE1 3.67Å; F180-F203 HydrophobicContact CG-CE1 3.67Å; F180-F203 HydrophobicContact CG-CE2 4.14Å; F180-F203 AromaticContact CG-CZ 3.65Å; F180-F203 HydrophobicContact CG-CZ 3.65Å; F180-G204 PolarHBondContact O-N 2.89Å; F180-L233 HydrophobicContact CD2-CD2 3.51Å; F180-L233 HydrophobicContact CE2-CD2 3.59Å; F180-L233 HydrophobicContact CG-CD2 4.45Å
181	V	97.2	Very high	94.1	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.042	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-135.5	133	-176.7	-176.7	0	0	0	0	109.3	I14 P178 T183 T186 G204 T206 V209	I14-V181 HydrophobicContact CG1-CG1 4.38Å; P178-V181 HydrophobicContact CB-CG2 3.73Å; V181-T183 HydrophobicContact CB-CG2 4.48Å; V181-T183 HydrophobicContact CG1-CG2 4.11Å; V181-T183 PolarHBondContact O-N 2.76Å; V181-T183 PolarHBondContact O-OG1 2.97Å; V181-T186 VanDerWaalsContact O-CG2 3.23Å; V181-T186 WeakPolarHBondContact O-CG2 3.14Å; V181-T186 PolarHBondContact O-OG1 3.11Å; V181-G204 CarbonylContact C-O 3.6Å; V181-G204 VanDerWaalsContact CA-O 3.26Å; V181-G204 WeakPolarHBondContact CA-O 3.5Å; V181-T206 HydrophobicContact CG1-CG2 4.02Å; V181-V209 HydrophobicContact CG1-CG2 4.2Å; V181-V209 HydrophobicContact CG2-CG2 3.74Å
182	H	96.7	Very high	93.7	Very high	64 Å²	64	51.7 Å²	51.7	30%	0.296	25%	0.253	S	S	.	.	S	Bend	trans	-60.4	97.6	177.4	-69	134.2	0	0	0	112.5	E191 F203 G204 E205 T206	H182-E191 IonicContact CE1-OE1 2.64Å; H182-E191 IonicContact CE1-OE2 3.48Å; H182-E191 IonicContact NE2-OE1 3.88Å; H182-E191 PolarHBondContact NE2-OE1 2.94Å; H182-E191 IonicContact NE2-OE2 2.8Å; H182-E191 PolarHBondContact NE2-OE2 3Å; H182-F203 AromaticContact CD2-CD2 3.98Å; H182-F203 AromaticContact NE2-CD2 3.81Å; H182-G204 PolarHBondContact N-O 3.49Å; H182-E205 IonicContact CE1-OE1 3.83Å; H182-E205 IonicContact CG-OE1 2.7Å; H182-E205 IonicContact ND1-OE1 3.63Å; H182-E205 PolarHBondContact ND1-OE1 2.98Å; H182-E205 IonicContact ND1-OE2 3.38Å; H182-T206 VanDerWaalsContact O-CG2 3.26Å; H182-T206 WeakPolarHBondContact O-CG2 3.34Å
183	T	93.4	Very high	93.3	Very high	28 Å²	28	55.6 Å²	55.6	17%	0.172	27%	0.272	C	S	.	.	S	Bend	trans	-144.1	173.2	177.4	62.4	0	0	0	0	109.9	I14 V181 M185 T186 K187 T206	I14-T183 HydrophobicContact CG1-CG2 4.36Å; V181-T183 HydrophobicContact CB-CG2 4.48Å; V181-T183 HydrophobicContact CG1-CG2 4.11Å; V181-T183 PolarHBondContact O-N 2.76Å; V181-T183 PolarHBondContact O-OG1 2.97Å; T183-M185 PolarHBondContact O-N 3.01Å; T183-M185 PolarHBondContact OG1-N 3.25Å; T183-T186 PolarHBondContact N-OG1 2.84Å; T183-T186 PolarHBondContact O-N 3.3Å; T183-T186 PolarHBondContact O-OG1 3.5Å; T183-K187 WeakPolarHBondContact O-CG 3.32Å; T183-K187 PolarHBondContact O-N 3.08Å; T183-T206 HydrophobicContact CG2-CG2 3.63Å
184	D	87.3	Confident	92.8	Very high	71 Å²	71	57.3 Å²	57.3	38%	0.38	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-49.6	-31.7	170	-68.5	-19.2	0	0	0	113.3	R12 T186 K187	R12-D184 IonicContact CZ-OD2 4Å; R12-D184 IonicContact NE-OD2 3.32Å; R12-D184 IonicContact NH1-OD2 3.32Å; R12-D184 PolarHBondContact NH1-OD2 2.97Å; D184-T186 VanDerWaalsContact C-N 3.32Å; D184-T186 PolarHBondContact O-N 3.38Å; D184-K187 WeakPolarHBondContact OD1-CE 3.34Å; D184-K187 IonicContact OD1-NZ 2.75Å; D184-K187 PolarHBondContact OD1-NZ 3.05Å
185	M	85.4	Confident	92.6	Very high	87 Å²	87	59.9 Å²	59.9	43%	0.429	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-73.4	-21.3	-176.9	-167.4	175.7	-71.7	0	0	113.7	N87 T183	N87-M185 HydrophobicContact CB-CE 3.89Å; N87-M185 HydrophobicContact CB-CG 3.98Å; N87-M185 HydrophobicContact CB-SD 3.55Å; N87-M185 VanDerWaalsContact CB-SD 3.55Å; T183-M185 PolarHBondContact O-N 3.01Å; T183-M185 PolarHBondContact OG1-N 3.25Å
186	T	87.1	Confident	92.4	Very high	19 Å²	19	67.7 Å²	67.7	12%	0.117	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-111.5	2	-174.5	61.3	0	0	0	0	113.4	V181 T183 D184 D188 L189	V181-T186 VanDerWaalsContact O-CG2 3.23Å; V181-T186 WeakPolarHBondContact O-CG2 3.14Å; V181-T186 PolarHBondContact O-OG1 3.11Å; T183-T186 PolarHBondContact N-OG1 2.84Å; T183-T186 PolarHBondContact O-N 3.3Å; T183-T186 PolarHBondContact O-OG1 3.5Å; D184-T186 VanDerWaalsContact C-N 3.32Å; D184-T186 PolarHBondContact O-N 3.38Å; T186-D188 PolarHBondContact O-N 3.09Å; T186-L189 HydrophobicContact CG2-CD1 3.95Å; T186-L189 WeakPolarHBondContact O-CB 3.36Å; T186-L189 PolarHBondContact O-N 3.42Å; T186-L189 VanDerWaalsContact O-N 3.11Å
187	K	87.7	Confident	92	Very high	146 Å²	146	72.5 Å²	72.5	64%	0.635	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-32	-174.4	-72.6	-178.6	174.4	173.4	0	113.6	T183 D184 L189	T183-K187 WeakPolarHBondContact O-CG 3.32Å; T183-K187 PolarHBondContact O-N 3.08Å; D184-K187 WeakPolarHBondContact OD1-CE 3.34Å; D184-K187 IonicContact OD1-NZ 2.75Å; D184-K187 PolarHBondContact OD1-NZ 3.05Å; K187-L189 VanDerWaalsContact C-N 3.35Å
188	D	86.8	Confident	92	Very high	158 Å²	158	72.9 Å²	72.9	85%	0.845	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	3.1	-176.7	-55.8	-43.4	0	0	0	113.1	T186	T186-D188 PolarHBondContact O-N 3.09Å
189	L	87.7	Confident	91.9	Very high	56 Å²	56	76.1 Å²	76.1	29%	0.293	37%	0.37	S	S	.	.	S	Bend	trans	-80.6	142.5	179.2	-62.1	-177.8	0	0	0	111.6	F180 T186 K187 E191 L194 F203	F180-L189 HydrophobicContact CD1-CD1 3.74Å; F180-L189 HydrophobicContact CE1-CD1 3.79Å; T186-L189 HydrophobicContact CG2-CD1 3.95Å; T186-L189 WeakPolarHBondContact O-CB 3.36Å; T186-L189 PolarHBondContact O-N 3.42Å; T186-L189 VanDerWaalsContact O-N 3.11Å; K187-L189 VanDerWaalsContact C-N 3.35Å; L189-E191 VanDerWaalsContact C-N 3.29Å; L189-E191 PolarHBondContact O-N 3.25Å; L189-L194 HydrophobicContact CB-CD1 4.18Å; L189-L194 HydrophobicContact CD1-CD1 4.43Å; L189-F203 HydrophobicContact CB-CE2 4.42Å; L189-F203 HydrophobicContact CD1-CE2 4.39Å
190	K	91.1	Very high	92	Very high	178 Å²	178	80.9 Å²	80.9	77%	0.774	39%	0.392	S	S	*	.			trans	-78.4	75.8	174.8	-62.9	-176.5	-178	-178.6	0	111	E192 H193 L194	K190-E192 VanDerWaalsContact C-N 3.29Å; K190-E192 PolarHBondContact O-N 3.24Å; K190-H193 PolarHBondContact O-N 3.02Å; K190-H193 VanDerWaalsContact O-N 3.11Å; K190-L194 PolarHBondContact O-N 3.24Å
191	E	90.9	Very high	92	Very high	53 Å²	53	81.1 Å²	81.1	25%	0.248	40%	0.404	C	S	.	.	H	α-helix	trans	-53.1	-42.9	-175.5	-176.8	178.5	178.2	0	0	113.1	H182 L189 H193 L194 K195 F203	H182-E191 IonicContact CE1-OE1 2.64Å; H182-E191 IonicContact CE1-OE2 3.48Å; H182-E191 IonicContact NE2-OE1 3.88Å; H182-E191 PolarHBondContact NE2-OE1 2.94Å; H182-E191 IonicContact NE2-OE2 2.8Å; H182-E191 PolarHBondContact NE2-OE2 3Å; L189-E191 VanDerWaalsContact C-N 3.29Å; L189-E191 PolarHBondContact O-N 3.25Å; E191-H193 PolarHBondContact O-N 3.41Å; E191-L194 PolarHBondContact O-N 3.07Å; E191-K195 HydrophobicContact CG-CB 4.34Å; E191-K195 HydrophobicContact CG-CD 4.37Å; E191-K195 WeakPolarHBondContact O-CB 3.41Å; E191-K195 WeakPolarHBondContact O-CG 3.44Å; E191-K195 PolarHBondContact O-N 2.89Å; E191-F203 HydrophobicContact CB-CD2 4.4Å; E191-F203 HydrophobicContact CB-CE1 4.43Å; E191-F203 HydrophobicContact CB-CE2 4.03Å; E191-F203 HydrophobicContact CB-CZ 4.05Å; E191-F203 HydrophobicContact CG-CD1 3.82Å; E191-F203 HydrophobicContact CG-CD2 3.94Å; E191-F203 HydrophobicContact CG-CE1 3.85Å; E191-F203 HydrophobicContact CG-CE2 3.97Å; E191-F203 HydrophobicContact CG-CG 3.89Å; E191-F203 HydrophobicContact CG-CZ 3.93Å; E191-F203 PolarHBondContact OE1-N 3.14Å
192	E	90.5	Very high	92.1	Very high	124 Å²	124	85.6 Å²	85.6	58%	0.579	42%	0.42	S	S	*	.	H	α-helix	trans	-52.9	-30.2	-179.9	-71.9	-56.3	132.3	0	0	114.1	K190 K195 K196	K190-E192 VanDerWaalsContact C-N 3.29Å; K190-E192 PolarHBondContact O-N 3.24Å; E192-K195 IonicContact OE1-NZ 3.55Å; E192-K195 PolarHBondContact OE1-NZ 3.41Å; E192-K195 WeakPolarHBondContact OE2-CE 3.49Å; E192-K195 IonicContact OE2-NZ 3.85Å; E192-K195 PolarHBondContact OE2-NZ 2.97Å; E192-K196 WeakPolarHBondContact O-CE 3.49Å
193	H	90.6	Very high	92.1	Very high	116 Å²	116	82.7 Å²	82.7	54%	0.537	41%	0.407	S	S	.	.	H	α-helix	trans	-87.4	-42.8	176	-175.8	72.3	0	0	0	112.1	K190 E191	K190-H193 PolarHBondContact O-N 3.02Å; K190-H193 VanDerWaalsContact O-N 3.11Å; E191-H193 PolarHBondContact O-N 3.41Å
194	L	89.6	Confident	92.4	Very high	37 Å²	37	82.1 Å²	82.1	19%	0.194	41%	0.407	C	S	.	.	H	α-helix	trans	-72.4	-35.9	-174.4	-68.3	172.5	0	0	0	112.6	F180 L189 K190 E191 K196 K197 F203	F180-L194 HydrophobicContact CE1-CD1 4.32Å; F180-L194 HydrophobicContact CE2-CB 4.23Å; F180-L194 HydrophobicContact CE2-CD1 4.19Å; F180-L194 HydrophobicContact CE2-CD2 4.33Å; F180-L194 HydrophobicContact CE2-CG 4.49Å; F180-L194 HydrophobicContact CZ-CD1 3.96Å; F180-L194 HydrophobicContact CZ-CD2 4.35Å; L189-L194 HydrophobicContact CB-CD1 4.18Å; L189-L194 HydrophobicContact CD1-CD1 4.43Å; K190-L194 PolarHBondContact O-N 3.24Å; E191-L194 PolarHBondContact O-N 3.07Å; L194-K196 PolarHBondContact O-N 2.89Å; L194-K197 WeakPolarHBondContact O-CB 3.24Å; L194-K197 PolarHBondContact O-N 3.1Å; L194-F203 HydrophobicContact CB-CE1 3.79Å; L194-F203 HydrophobicContact CB-CZ 3.92Å; L194-F203 HydrophobicContact CD1-CZ 3.95Å
195	K	93.6	Very high	92.9	Very high	53 Å²	53	82.6 Å²	82.6	23%	0.23	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-62.9	-25.6	-179.1	77.2	-175	-176.4	-171.2	0	113.5	E191 E192 K197 I198	E191-K195 HydrophobicContact CG-CB 4.34Å; E191-K195 HydrophobicContact CG-CD 4.37Å; E191-K195 WeakPolarHBondContact O-CB 3.41Å; E191-K195 WeakPolarHBondContact O-CG 3.44Å; E191-K195 PolarHBondContact O-N 2.89Å; E192-K195 IonicContact OE1-NZ 3.55Å; E192-K195 PolarHBondContact OE1-NZ 3.41Å; E192-K195 WeakPolarHBondContact OE2-CE 3.49Å; E192-K195 IonicContact OE2-NZ 3.85Å; E192-K195 PolarHBondContact OE2-NZ 2.97Å; K195-K197 PolarHBondContact O-N 2.79Å; K195-I198 WeakPolarHBondContact O-CB 3.41Å; K195-I198 PolarHBondContact O-N 3.25Å
196	K	94.4	Very high	93.5	Very high	167 Å²	167	80.1 Å²	80.1	73%	0.726	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-64.3	-21	175.4	-62.1	-178.2	-178.4	-176.6	0	113.3	E192 L194	E192-K196 WeakPolarHBondContact O-CE 3.49Å; L194-K196 PolarHBondContact O-N 2.89Å
197	K	91.9	Very high	94.1	Very high	101 Å²	101	82.3 Å²	82.3	44%	0.439	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-91.7	-3.4	175.7	-58.5	-176.9	179.4	-177.1	0	112.7	L194 K195 L233 I236	L194-K197 WeakPolarHBondContact O-CB 3.24Å; L194-K197 PolarHBondContact O-N 3.1Å; K195-K197 PolarHBondContact O-N 2.79Å; K197-L233 HydrophobicContact CB-CD1 4.42Å; K197-I236 HydrophobicContact CB-CG2 4.47Å; K197-I236 VanDerWaalsContact O-CD1 3.23Å; K197-I236 WeakPolarHBondContact O-CD1 3.29Å
198	I	97.1	Very high	94.6	Very high	9 Å²	9	78.8 Å²	78.8	5%	0.046	39%	0.392	C	S	.	.	S	Bend	trans	-99.6	123.8	-179.3	-55.3	174.5	0	0	0	107	F180 K195 L200 G201 R202 F203 G231 L233	F180-I198 HydrophobicContact CD2-CD1 4.21Å; K195-I198 WeakPolarHBondContact O-CB 3.41Å; K195-I198 PolarHBondContact O-N 3.25Å; I198-L200 HydrophobicContact CG2-CB 4.4Å; I198-L200 PolarHBondContact O-N 3.44Å; I198-G201 WeakPolarHBondContact O-CA 3.41Å; I198-G201 PolarHBondContact O-N 2.95Å; I198-R202 VanDerWaalsContact CD1-O 3.28Å; I198-R202 WeakPolarHBondContact CD1-O 3.48Å; I198-F203 HydrophobicContact CD1-CD1 3.66Å; I198-F203 HydrophobicContact CD1-CE1 3.98Å; I198-G231 WeakPolarHBondContact CG2-O 3.42Å; I198-L233 HydrophobicContact CG1-CB 4.35Å; I198-L233 HydrophobicContact CG1-CD1 4.06Å; I198-L233 HydrophobicContact CG1-CD2 4.4Å
199	P	98.1	Very high	95.2	Very high	75 Å²	75	71.3 Å²	71.3	49%	0.487	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-37.5	176.8	-31.2	37.1	0	0	0	114.1	G201 G231 G232 I236	P199-G201 VanDerWaalsContact C-N 3.26Å; P199-G201 PolarHBondContact O-N 2.77Å; P199-G231 VanDerWaalsContact CD-O 3.25Å; P199-G231 WeakPolarHBondContact CD-O 3.44Å; P199-G232 VanDerWaalsContact CD-C 3.47Å; P199-G232 WeakPolarHBondContact CD-O 3.4Å; P199-G232 WeakPolarHBondContact CG-O 3.4Å; P199-I236 HydrophobicContact CG-CD1 4.05Å
200	L	98.3	Very high	95.7	Very high	114 Å²	114	68.6 Å²	68.6	60%	0.597	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.3	174.4	-62.9	-170.3	0	0	0	114.9	I198 R202 G231	I198-L200 HydrophobicContact CG2-CB 4.4Å; I198-L200 PolarHBondContact O-N 3.44Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 2.72Å; L200-G231 PolarHBondContact N-O 3.32Å
201	G	97.4	Very high	96.1	Very high	41 Å²	41	65.2 Å²	65.2	42%	0.423	33%	0.325	S	S	.	.	S	Bend	trans	69.8	11.9	170.3	0	0	0	0	0	116.6	I198 P199	I198-G201 WeakPolarHBondContact O-CA 3.41Å; I198-G201 PolarHBondContact O-N 2.95Å; P199-G201 VanDerWaalsContact C-N 3.26Å; P199-G201 PolarHBondContact O-N 2.77Å
202	R	97.9	Very high	96.4	Very high	100 Å²	100	63.2 Å²	63.2	38%	0.377	32%	0.318	S	S	.	.	S	Bend	trans	-152.6	164.4	-178.1	63.2	170.4	179.5	87.6	-3.1	112.4	I198 L200 E208	I198-R202 VanDerWaalsContact CD1-O 3.28Å; I198-R202 WeakPolarHBondContact CD1-O 3.48Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 2.72Å; R202-E208 IonicContact CZ-OE1 3.98Å; R202-E208 IonicContact CZ-OE2 3.88Å; R202-E208 IonicContact NH1-OE1 2.7Å; R202-E208 PolarHBondContact NH1-OE1 3.01Å; R202-E208 IonicContact NH1-OE2 3.55Å; R202-E208 PolarHBondContact NH1-OE2 2.85Å; R202-E208 IonicContact NH2-OE1 3.54Å; R202-E208 PolarHBondContact NH2-OE1 3.34Å; R202-E208 IonicContact NH2-OE2 3.64Å
203	F	98	Very high	96.8	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.013	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-72.8	158.1	163.7	-74.5	10.6	0	0	0	111.3	F180 H182 L189 E191 L194 I198	F180-F203 HydrophobicContact CB-CB 4.39Å; F180-F203 HydrophobicContact CB-CD1 3.5Å; F180-F203 VanDerWaalsContact CB-CD1 3.5Å; F180-F203 HydrophobicContact CB-CD2 3.75Å; F180-F203 HydrophobicContact CB-CE1 3.52Å; F180-F203 HydrophobicContact CB-CE2 3.77Å; F180-F203 HydrophobicContact CB-CG 3.6Å; F180-F203 HydrophobicContact CB-CZ 3.65Å; F180-F203 HydrophobicContact CD1-CE2 4.48Å; F180-F203 HydrophobicContact CD1-CZ 4.15Å; F180-F203 HydrophobicContact CD2-CD1 4.26Å; F180-F203 AromaticContact CD2-CE1 3.61Å; F180-F203 HydrophobicContact CD2-CE1 3.61Å; F180-F203 AromaticContact CD2-CZ 3.93Å; F180-F203 HydrophobicContact CD2-CZ 3.93Å; F180-F203 HydrophobicContact CE2-CE1 4.49Å; F180-F203 HydrophobicContact CG-CD1 4.17Å; F180-F203 AromaticContact CG-CE1 3.67Å; F180-F203 HydrophobicContact CG-CE1 3.67Å; F180-F203 HydrophobicContact CG-CE2 4.14Å; F180-F203 AromaticContact CG-CZ 3.65Å; F180-F203 HydrophobicContact CG-CZ 3.65Å; H182-F203 AromaticContact CD2-CD2 3.98Å; H182-F203 AromaticContact NE2-CD2 3.81Å; L189-F203 HydrophobicContact CB-CE2 4.42Å; L189-F203 HydrophobicContact CD1-CE2 4.39Å; E191-F203 HydrophobicContact CB-CD2 4.4Å; E191-F203 HydrophobicContact CB-CE1 4.43Å; E191-F203 HydrophobicContact CB-CE2 4.03Å; E191-F203 HydrophobicContact CB-CZ 4.05Å; E191-F203 HydrophobicContact CG-CD1 3.82Å; E191-F203 HydrophobicContact CG-CD2 3.94Å; E191-F203 HydrophobicContact CG-CE1 3.85Å; E191-F203 HydrophobicContact CG-CE2 3.97Å; E191-F203 HydrophobicContact CG-CG 3.89Å; E191-F203 HydrophobicContact CG-CZ 3.93Å; E191-F203 PolarHBondContact OE1-N 3.14Å; L194-F203 HydrophobicContact CB-CE1 3.79Å; L194-F203 HydrophobicContact CB-CZ 3.92Å; L194-F203 HydrophobicContact CD1-CZ 3.95Å; I198-F203 HydrophobicContact CD1-CD1 3.66Å; I198-F203 HydrophobicContact CD1-CE1 3.98Å
204	G	98.2	Very high	97.2	Very high	17 Å²	17	51.9 Å²	51.9	18%	0.175	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-78.4	154.8	174.4	0	0	0	0	0	112.4	F180 V181 H182 E208	F180-G204 PolarHBondContact O-N 2.89Å; V181-G204 CarbonylContact C-O 3.6Å; V181-G204 VanDerWaalsContact CA-O 3.26Å; V181-G204 WeakPolarHBondContact CA-O 3.5Å; H182-G204 PolarHBondContact N-O 3.49Å; G204-E208 WeakPolarHBondContact CA-OE2 3.41Å
205	E	98.4	Very high	97.7	Very high	81 Å²	81	55.2 Å²	55.2	38%	0.379	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-93.2	150.3	170.8	-66.1	-56.2	142.6	0	0	111.5	H182 I207 E208	H182-E205 IonicContact CE1-OE1 3.83Å; H182-E205 IonicContact CG-OE1 2.7Å; H182-E205 IonicContact ND1-OE1 3.63Å; H182-E205 PolarHBondContact ND1-OE1 2.98Å; H182-E205 IonicContact ND1-OE2 3.38Å; E205-I207 HydrophobicContact CB-CG2 4.09Å; E205-I207 PolarHBondContact O-N 3.06Å; E205-E208 HydrophobicContact CB-CG 4.17Å; E205-E208 PolarHBondContact N-OE2 3.27Å; E205-E208 WeakPolarHBondContact O-CB 3.36Å; E205-E208 PolarHBondContact O-N 2.79Å
206	T	98.4	Very high	97.9	Very high	34 Å²	34	52.7 Å²	52.7	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-34.9	-178.9	51.7	0	0	0	0	113.2	I14 V181 H182 T183 E208 V209 A210	I14-T206 HydrophobicContact CG1-CG2 4.49Å; V181-T206 HydrophobicContact CG1-CG2 4.02Å; H182-T206 VanDerWaalsContact O-CG2 3.26Å; H182-T206 WeakPolarHBondContact O-CG2 3.34Å; T183-T206 HydrophobicContact CG2-CG2 3.63Å; T206-E208 VanDerWaalsContact C-N 3.33Å; T206-E208 PolarHBondContact O-N 3.4Å; T206-V209 PolarHBondContact O-N 3.24Å; T206-A210 PolarHBondContact O-N 2.64Å
207	I	98.5	Very high	98.1	Very high	66 Å²	66	44.8 Å²	44.8	34%	0.338	23%	0.233	S	C	.	.	H	α-helix	trans	-66.9	-31.9	178	-170.7	58.4	0	0	0	112.6	L21 E205 V209 A210 H211	L21-I207 HydrophobicContact CB-CD1 4.31Å; L21-I207 HydrophobicContact CD2-CD1 4.42Å; E205-I207 HydrophobicContact CB-CG2 4.09Å; E205-I207 PolarHBondContact O-N 3.06Å; I207-V209 VanDerWaalsContact C-N 3.34Å; I207-V209 PolarHBondContact O-N 2.98Å; I207-A210 HydrophobicContact CD1-CB 4.22Å; I207-A210 WeakPolarHBondContact O-CB 3.48Å; I207-A210 PolarHBondContact O-N 2.65Å; I207-H211 PolarHBondContact O-CD2 3.37Å; I207-H211 PolarHBondContact O-N 3.04Å
208	E	98.8	Very high	98.4	Very high	71 Å²	71	43.6 Å²	43.6	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-40.2	177.4	-61.4	-179.7	112.5	0	0	110.6	R202 G204 E205 T206 H211 A212	R202-E208 IonicContact CZ-OE1 3.98Å; R202-E208 IonicContact CZ-OE2 3.88Å; R202-E208 IonicContact NH1-OE1 2.7Å; R202-E208 PolarHBondContact NH1-OE1 3.01Å; R202-E208 IonicContact NH1-OE2 3.55Å; R202-E208 PolarHBondContact NH1-OE2 2.85Å; R202-E208 IonicContact NH2-OE1 3.54Å; R202-E208 PolarHBondContact NH2-OE1 3.34Å; R202-E208 IonicContact NH2-OE2 3.64Å; G204-E208 WeakPolarHBondContact CA-OE2 3.41Å; E205-E208 HydrophobicContact CB-CG 4.17Å; E205-E208 PolarHBondContact N-OE2 3.27Å; E205-E208 WeakPolarHBondContact O-CB 3.36Å; E205-E208 PolarHBondContact O-N 2.79Å; T206-E208 VanDerWaalsContact C-N 3.33Å; T206-E208 PolarHBondContact O-N 3.4Å; E208-H211 PolarHBondContact O-N 2.63Å; E208-A212 PolarHBondContact O-N 3.33Å
209	V	98.8	Very high	98.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-68.1	-39	172.8	-174.6	0	0	0	0	111.3	I14 V176 P178 V181 T206 I207 H211 A212 V213 V229	I14-V209 HydrophobicContact CD1-CG1 4.13Å; I14-V209 HydrophobicContact CD1-CG2 4.47Å; I14-V209 HydrophobicContact CG1-CB 4.31Å; I14-V209 HydrophobicContact CG1-CG1 4.27Å; I14-V209 HydrophobicContact CG2-CB 4.18Å; I14-V209 HydrophobicContact CG2-CG1 3.65Å; V176-V209 HydrophobicContact CG1-CG1 4.4Å; V176-V209 HydrophobicContact CG2-CG1 4.15Å; P178-V209 HydrophobicContact CB-CG1 4.46Å; P178-V209 HydrophobicContact CB-CG2 4.06Å; P178-V209 HydrophobicContact CG-CG1 3.7Å; P178-V209 HydrophobicContact CG-CG2 4.19Å; V181-V209 HydrophobicContact CG1-CG2 4.2Å; V181-V209 HydrophobicContact CG2-CG2 3.74Å; T206-V209 PolarHBondContact O-N 3.24Å; I207-V209 VanDerWaalsContact C-N 3.34Å; I207-V209 PolarHBondContact O-N 2.98Å; V209-H211 VanDerWaalsContact C-N 3.31Å; V209-H211 PolarHBondContact O-N 2.91Å; V209-A212 WeakPolarHBondContact O-CB 3.34Å; V209-A212 PolarHBondContact O-N 2.8Å; V209-A212 VanDerWaalsContact O-N 3.12Å; V209-V213 HydrophobicContact CG1-CG2 4.48Å; V209-V213 WeakPolarHBondContact O-CG2 3.2Å; V209-V213 PolarHBondContact O-N 3.48Å; V209-V229 HydrophobicContact CG2-CG1 4.48Å
210	A	98.9	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-40.6	177.5	0	0	0	0	0	112.3	A17 V18 L21 T206 I207 A212 V213 V214	A17-A210 HydrophobicContact CB-CB 3.91Å; V18-A210 HydrophobicContact CB-CB 4.43Å; V18-A210 HydrophobicContact CG2-CB 3.84Å; L21-A210 HydrophobicContact CD2-CB 4.16Å; T206-A210 PolarHBondContact O-N 2.64Å; I207-A210 HydrophobicContact CD1-CB 4.22Å; I207-A210 WeakPolarHBondContact O-CB 3.48Å; I207-A210 PolarHBondContact O-N 2.65Å; A210-A212 VanDerWaalsContact C-N 3.33Å; A210-A212 PolarHBondContact O-N 3.37Å; A210-V213 PolarHBondContact O-N 2.97Å; A210-V214 WeakPolarHBondContact O-CG2 3.26Å; A210-V214 PolarHBondContact O-N 3Å
211	H	98.9	Very high	98.5	Very high	106 Å²	106	51.2 Å²	51.2	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-42.4	173	-84.7	-74.8	0	0	0	112.4	L21 I207 E208 V209 V214 F215	L21-H211 HydrophobicContact CD2-CB 4.43Å; I207-H211 PolarHBondContact O-CD2 3.37Å; I207-H211 PolarHBondContact O-N 3.04Å; E208-H211 PolarHBondContact O-N 2.63Å; V209-H211 VanDerWaalsContact C-N 3.31Å; V209-H211 PolarHBondContact O-N 2.91Å; H211-V214 PolarHBondContact O-N 2.92Å; H211-F215 WeakPolarHBondContact O-CB 3.23Å; H211-F215 PolarHBondContact O-N 2.89Å
212	A	98.9	Very high	98.6	Very high	12 Å²	12	50.8 Å²	50.8	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-40.8	177	0	0	0	0	0	112.7	V176 E208 V209 A210 F215 L216 L227 V229	V176-A212 HydrophobicContact CG2-CB 4.07Å; E208-A212 PolarHBondContact O-N 3.33Å; V209-A212 WeakPolarHBondContact O-CB 3.34Å; V209-A212 PolarHBondContact O-N 2.8Å; V209-A212 VanDerWaalsContact O-N 3.12Å; A210-A212 VanDerWaalsContact C-N 3.33Å; A210-A212 PolarHBondContact O-N 3.37Å; A212-F215 PolarHBondContact O-N 3.46Å; A212-L216 WeakPolarHBondContact O-CG 3.31Å; A212-L216 PolarHBondContact O-N 2.9Å; A212-L227 HydrophobicContact CB-CD2 3.86Å; A212-V229 HydrophobicContact CB-CG2 3.5Å; A212-V229 VanDerWaalsContact CB-CG2 3.5Å
213	V	98.9	Very high	98.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-50.6	173.7	171	0	0	0	0	110.4	V18 V81 V131 V176 V209 A210 F215 L216 L217	V18-V213 HydrophobicContact CG1-CG1 3.92Å; V18-V213 HydrophobicContact CG2-CB 3.91Å; V18-V213 HydrophobicContact CG2-CG1 3.94Å; V18-V213 HydrophobicContact CG2-CG2 3.98Å; V81-V213 HydrophobicContact CG1-CG1 4.15Å; V81-V213 HydrophobicContact CG2-CG1 3.91Å; V131-V213 HydrophobicContact CB-CG1 4.14Å; V131-V213 HydrophobicContact CG1-CB 4.37Å; V131-V213 HydrophobicContact CG1-CG1 4.01Å; V131-V213 HydrophobicContact CG1-CG2 4.05Å; V131-V213 HydrophobicContact CG2-CG1 4.47Å; V176-V213 HydrophobicContact CB-CG2 4.32Å; V176-V213 HydrophobicContact CG1-CG2 3.68Å; V209-V213 HydrophobicContact CG1-CG2 4.48Å; V209-V213 WeakPolarHBondContact O-CG2 3.2Å; V209-V213 PolarHBondContact O-N 3.48Å; A210-V213 PolarHBondContact O-N 2.97Å; V213-F215 PolarHBondContact O-N 2.78Å; V213-L216 PolarHBondContact O-N 3.36Å; V213-L217 HydrophobicContact CG1-CD1 4.05Å; V213-L217 HydrophobicContact CG1-CG 4.43Å; V213-L217 WeakPolarHBondContact O-CG 3.24Å; V213-L217 PolarHBondContact O-N 2.66Å
214	V	98.9	Very high	98.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-40.7	-178.9	173.1	0	0	0	0	111.6	L21 M22 K25 A210 H211 L216 L217 E218	L21-V214 HydrophobicContact CD2-CB 4.18Å; L21-V214 HydrophobicContact CD2-CG2 3.77Å; L21-V214 HydrophobicContact CG-CG2 4.1Å; M22-V214 HydrophobicContact CG-CG2 3.57Å; M22-V214 HydrophobicContact SD-CG2 4.31Å; K25-V214 HydrophobicContact CD-CG1 3.7Å; A210-V214 WeakPolarHBondContact O-CG2 3.26Å; A210-V214 PolarHBondContact O-N 3Å; H211-V214 PolarHBondContact O-N 2.92Å; V214-L216 PolarHBondContact O-N 3.41Å; V214-L217 CarbonylContact O-C 3.55Å; V214-L217 PolarHBondContact O-N 2.8Å; V214-L217 VanDerWaalsContact O-N 3.14Å; V214-E218 HydrophobicContact CG1-CG 4.22Å; V214-E218 WeakPolarHBondContact O-CB 3.16Å; V214-E218 WeakPolarHBondContact O-CG 3.39Å; V214-E218 PolarHBondContact O-N 3.29Å
215	F	98.9	Very high	98.7	Very high	106 Å²	106	53 Å²	53	47%	0.465	27%	0.268	S	S	.	.	H	α-helix	trans	-55.3	-48.6	172.3	164.8	-99.8	0	0	0	111.9	H211 A212 V213 L217 E218 S219 L227	H211-F215 WeakPolarHBondContact O-CB 3.23Å; H211-F215 PolarHBondContact O-N 2.89Å; A212-F215 PolarHBondContact O-N 3.46Å; V213-F215 PolarHBondContact O-N 2.78Å; F215-L217 VanDerWaalsContact C-N 3.3Å; F215-L217 PolarHBondContact O-N 2.97Å; F215-E218 PolarHBondContact O-N 2.9Å; F215-E218 VanDerWaalsContact O-N 3.16Å; F215-S219 VanDerWaalsContact O-CB 3.25Å; F215-S219 WeakPolarHBondContact O-CB 3.46Å; F215-S219 PolarHBondContact O-N 3.33Å; F215-L227 HydrophobicContact CD1-CD2 3.88Å; F215-L227 HydrophobicContact CE1-CD2 4.27Å
216	L	98.9	Very high	98.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-34.7	177.5	-72.6	176.8	0	0	0	112.4	V131 R172 N174 V176 A212 V213 V214 E218 V222 L227	V131-L216 HydrophobicContact CG1-CD1 4.32Å; V131-L216 HydrophobicContact CG2-CB 3.62Å; V131-L216 HydrophobicContact CG2-CD1 4.3Å; R172-L216 PolarHBondContact NH1-O 2.77Å; N174-L216 HydrophobicContact CB-CB 4.35Å; N174-L216 HydrophobicContact CB-CD1 3.92Å; N174-L216 HydrophobicContact CB-CD2 4.1Å; N174-L216 HydrophobicContact CB-CG 4.37Å; V176-L216 HydrophobicContact CB-CD1 4.37Å; A212-L216 WeakPolarHBondContact O-CG 3.31Å; A212-L216 PolarHBondContact O-N 2.9Å; V213-L216 PolarHBondContact O-N 3.36Å; V214-L216 PolarHBondContact O-N 3.41Å; L216-E218 VanDerWaalsContact C-N 3.33Å; L216-V222 HydrophobicContact CD2-CG1 3.76Å; L216-L227 HydrophobicContact CD1-CB 3.89Å; L216-L227 HydrophobicContact CD1-CD2 4.18Å; L216-L227 HydrophobicContact CD2-CB 4.23Å; L216-L227 HydrophobicContact CD2-CD2 4.17Å; L216-L227 HydrophobicContact CG-CB 4.33Å; L216-L227 HydrophobicContact CG-CD2 3.93Å
217	L	98.8	Very high	98.8	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-29.9	174.6	-67.8	174	0	0	0	112.6	M22 F79 V81 S129 V131 R172 V213 V214 F215	M22-L217 HydrophobicContact CE-CD1 3.72Å; M22-L217 HydrophobicContact SD-CD1 3.69Å; F79-L217 HydrophobicContact CD1-CB 4.1Å; F79-L217 HydrophobicContact CD1-CD2 4.12Å; F79-L217 HydrophobicContact CE1-CB 4.46Å; V81-L217 HydrophobicContact CG2-CD1 3.77Å; S129-L217 WeakPolarHBondContact O-CD2 3.44Å; S129-L217 WeakPolarHBondContact OG-CA 3.48Å; S129-L217 PolarHBondContact OG-O 3.15Å; V131-L217 HydrophobicContact CB-CD2 4.23Å; V131-L217 HydrophobicContact CG2-CD2 3.62Å; V131-L217 HydrophobicContact CG2-CG 3.79Å; R172-L217 PolarHBondContact NH2-O 3.47Å; V213-L217 HydrophobicContact CG1-CD1 4.05Å; V213-L217 HydrophobicContact CG1-CG 4.43Å; V213-L217 WeakPolarHBondContact O-CG 3.24Å; V213-L217 PolarHBondContact O-N 2.66Å; V214-L217 CarbonylContact O-C 3.55Å; V214-L217 PolarHBondContact O-N 2.8Å; V214-L217 VanDerWaalsContact O-N 3.14Å; F215-L217 VanDerWaalsContact C-N 3.3Å; F215-L217 PolarHBondContact O-N 2.97Å
218	E	98.4	Very high	98.8	Very high	77 Å²	77	48.9 Å²	48.9	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-94.9	-23.3	-176.6	-70.8	176.6	162.4	0	0	113.3	K25 Y27 V214 F215 L216 P220	K25-E218 VanDerWaalsContact NZ-CD 3.34Å; K25-E218 IonicContact NZ-OE1 2.93Å; K25-E218 PolarHBondContact NZ-OE1 3.2Å; K25-E218 IonicContact NZ-OE2 2.81Å; K25-E218 PolarHBondContact NZ-OE2 3.4Å; Y27-E218 WeakPolarHBondContact OH-CG 3.5Å; Y27-E218 PolarHBondContact OH-OE1 3.18Å; V214-E218 HydrophobicContact CG1-CG 4.22Å; V214-E218 WeakPolarHBondContact O-CB 3.16Å; V214-E218 WeakPolarHBondContact O-CG 3.39Å; V214-E218 PolarHBondContact O-N 3.29Å; F215-E218 PolarHBondContact O-N 2.9Å; F215-E218 VanDerWaalsContact O-N 3.16Å; L216-E218 VanDerWaalsContact C-N 3.33Å; E218-P220 WeakPolarHBondContact O-CD 3.47Å
219	S	98.6	Very high	98.8	Very high	25 Å²	25	47.5 Å²	47.5	18%	0.175	25%	0.246	C	C	.	.			trans	-77.9	104.2	-174.3	-171.9	0	0	0	0	113.1	R172 F215 Y221 V222	R172-S219 PolarHBondContact NE-O 3.4Å; R172-S219 PolarHBondContact NH1-O 2.99Å; F215-S219 VanDerWaalsContact O-CB 3.25Å; F215-S219 WeakPolarHBondContact O-CB 3.46Å; F215-S219 PolarHBondContact O-N 3.33Å; S219-Y221 PolarHBondContact O-N 3.43Å; S219-Y221 VanDerWaalsContact O-N 3.13Å; S219-V222 PolarHBondContact O-N 3.45Å; S219-V222 VanDerWaalsContact OG-CG2 3.25Å; S219-V222 WeakPolarHBondContact OG-CG2 3.18Å
220	P	98.3	Very high	98.8	Very high	110 Å²	110	48.3 Å²	48.3	71%	0.714	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.5	-164.2	31	-36.4	0	0	0	114.4	R172 E218	R172-P220 WeakPolarHBondContact CD-O 3.43Å; E218-P220 WeakPolarHBondContact O-CD 3.47Å
221	Y	98.6	Very high	98.7	Very high	222 Å²	222	49.5 Å²	49.5	87%	0.871	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	12.4	-178.3	-156.2	-117.1	0	0	0	113.4	S219	S219-Y221 PolarHBondContact O-N 3.43Å; S219-Y221 VanDerWaalsContact O-N 3.13Å
222	V	98.9	Very high	98.7	Very high	33 Å²	33	45.2 Å²	45.2	20%	0.2	25%	0.247	C	C	.	.			trans	-110.6	116.9	177.2	-179.2	0	0	0	0	109.8	R172 N174 L216 S219 H225	R172-V222 WeakPolarHBondContact CD-O 3.29Å; R172-V222 PolarHBondContact NH1-O 3.31Å; N174-V222 PolarHBondContact ND2-O 3.02Å; L216-V222 HydrophobicContact CD2-CG1 3.76Å; S219-V222 PolarHBondContact O-N 3.45Å; S219-V222 VanDerWaalsContact OG-CG2 3.25Å; S219-V222 WeakPolarHBondContact OG-CG2 3.18Å; V222-H225 HydrophobicContact CG1-CB 3.71Å
223	T	98.9	Very high	98.6	Very high	58 Å²	58	44.9 Å²	44.9	36%	0.356	24%	0.243	S	C	.	.			trans	-148.2	149.3	173.3	-166.4	0	0	0	0	110.5	R172 V173 N174 H225	R172-T223 WeakPolarHBondContact CA-OG1 3.39Å; V173-T223 PolarHBondContact N-OG1 3.35Å; V173-T223 VanDerWaalsContact N-OG1 3.14Å; N174-T223 VanDerWaalsContact OD1-C 3.25Å; N174-T223 WeakPolarHBondContact OD1-CA 3.33Å; N174-T223 PolarHBondContact OD1-N 3.23Å; T223-H225 PolarHBondContact O-N 3.06Å
224	G	98.8	Very high	98.4	Very high	20 Å²	20	48 Å²	48	21%	0.206	26%	0.258	C	S	.	.	S	Bend	trans	68.6	11.5	-176.5	0	0	0	0	0	114.4	R160 V173 N174	R160-G224 VanDerWaalsContact CG-O 3.32Å; R160-G224 WeakPolarHBondContact CG-O 3.15Å; V173-G224 WeakPolarHBondContact O-CA 3.43Å; V173-G224 PolarHBondContact O-N 2.9Å; N174-G224 PolarHBondContact OD1-N 3.04Å
225	H	98.9	Very high	98.2	Very high	89 Å²	89	54.6 Å²	54.6	41%	0.412	29%	0.292	S	S	.	.			trans	-93.4	151.3	-175.2	-176.6	65.6	0	0	0	112.1	N174 V175 V222 T223	N174-H225 PolarHBondContact OD1-N 3.1Å; V175-H225 PolarHBondContact N-O 3.41Å; V222-H225 HydrophobicContact CG1-CB 3.71Å; T223-H225 PolarHBondContact O-N 3.06Å
226	V	98.9	Very high	97.8	Very high	18 Å²	18	54.4 Å²	54.4	11%	0.109	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.8	171.4	-174.2	0	0	0	0	107.6	L139 V156 V175 A177	L139-V226 HydrophobicContact CD1-CG1 4.07Å; L139-V226 HydrophobicContact CD2-CG1 4.43Å; V156-V226 HydrophobicContact CB-CG2 4.45Å; V156-V226 HydrophobicContact CG1-CG2 3.73Å; V156-V226 HydrophobicContact CG2-CG2 4.13Å; V175-V226 HydrophobicContact CB-CB 4.46Å; V175-V226 HydrophobicContact CB-CG1 4.23Å; V175-V226 HydrophobicContact CB-CG2 4.18Å; V175-V226 HydrophobicContact CG1-CG1 4.24Å; V175-V226 CarbonylContact O-C 3.37Å; V175-V226 WeakPolarHBondContact O-CA 3.49Å; A177-V226 HydrophobicContact CB-CG1 3.76Å
227	L	98.9	Very high	96.9	Very high	41 Å²	41	58.4 Å²	58.4	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.4	178	-179.4	59.4	0	0	0	109.9	V175 V176 A177 A212 F215 L216 V229	V175-L227 PolarHBondContact O-N 2.86Å; V176-L227 CarbonylContact C-O 3.52Å; V176-L227 WeakPolarHBondContact CA-O 3.16Å; A177-L227 PolarHBondContact N-O 2.94Å; A212-L227 HydrophobicContact CB-CD2 3.86Å; F215-L227 HydrophobicContact CD1-CD2 3.88Å; F215-L227 HydrophobicContact CE1-CD2 4.27Å; L216-L227 HydrophobicContact CD1-CB 3.89Å; L216-L227 HydrophobicContact CD1-CD2 4.18Å; L216-L227 HydrophobicContact CD2-CB 4.23Å; L216-L227 HydrophobicContact CD2-CD2 4.17Å; L216-L227 HydrophobicContact CG-CB 4.33Å; L216-L227 HydrophobicContact CG-CD2 3.93Å; L227-V229 HydrophobicContact CG-CG2 4.42Å
228	V	98.9	Very high	96.8	Very high	35 Å²	35	61.3 Å²	61.3	21%	0.212	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.3	179.3	179.3	0	0	0	0	110.9	I136 L139 A177 D230 Q234	I136-V228 HydrophobicContact CG2-CG1 3.59Å; L139-V228 HydrophobicContact CD1-CG2 4.14Å; A177-V228 HydrophobicContact CB-CG2 4.23Å; A177-V228 WeakPolarHBondContact O-CA 3.39Å; V228-D230 HydrophobicContact CG1-CB 3.91Å; V228-D230 WeakPolarHBondContact CG1-OD2 3.48Å; V228-Q234 HydrophobicContact CG1-CG 4.34Å; V228-Q234 VanDerWaalsContact CG1-NE2 3.32Å
229	V	98.7	Very high	96.8	Very high	42 Å²	42	60.4 Å²	60.4	26%	0.255	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	84.2	178	-172.5	0	0	0	0	109	V176 A177 P178 G179 V209 A212 L227	V176-V229 HydrophobicContact CG2-CG2 3.93Å; A177-V229 PolarHBondContact O-N 3.48Å; P178-V229 CarbonylContact C-O 3.59Å; P178-V229 VanDerWaalsContact CA-O 3.28Å; P178-V229 WeakPolarHBondContact CA-O 3.42Å; G179-V229 PolarHBondContact N-O 3.1Å; V209-V229 HydrophobicContact CG2-CG1 4.48Å; A212-V229 HydrophobicContact CB-CG2 3.5Å; A212-V229 VanDerWaalsContact CB-CG2 3.5Å; L227-V229 HydrophobicContact CG-CG2 4.42Å
230	D	98.4	Very high	96.7	Very high	18 Å²	18	62.4 Å²	62.4	10%	0.096	34%	0.338	C	S	.	.	S	Bend	trans	-141.7	11.1	-166.7	70.8	-10.1	0	0	0	114.6	I136 V228 G232 L233 Q234	I136-D230 HydrophobicContact CD1-CB 4.06Å; I136-D230 HydrophobicContact CG2-CB 3.97Å; V228-D230 HydrophobicContact CG1-CB 3.91Å; V228-D230 WeakPolarHBondContact CG1-OD2 3.48Å; D230-G232 PolarHBondContact O-N 2.91Å; D230-G232 WeakPolarHBondContact OD1-CA 3.41Å; D230-G232 PolarHBondContact OD1-N 3.48Å; D230-L233 HydrophobicContact CB-CB 4.07Å; D230-L233 WeakPolarHBondContact O-CB 3.41Å; D230-L233 PolarHBondContact O-N 3.42Å; D230-L233 VanDerWaalsContact O-N 3.11Å; D230-Q234 WeakPolarHBondContact OD2-CB 3.37Å; D230-Q234 VanDerWaalsContact OD2-CG 3.24Å; D230-Q234 WeakPolarHBondContact OD2-CG 3.46Å; D230-Q234 PolarHBondContact OD2-N 2.88Å
231	G	98.2	Very high	96.6	Very high	24 Å²	24	59.6 Å²	59.6	25%	0.247	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	22.9	-176.8	0	0	0	0	0	114.3	I198 P199 L200	I198-G231 WeakPolarHBondContact CG2-O 3.42Å; P199-G231 VanDerWaalsContact CD-O 3.25Å; P199-G231 WeakPolarHBondContact CD-O 3.44Å; L200-G231 PolarHBondContact N-O 3.32Å
232	G	97.8	Very high	96.4	Very high	17 Å²	17	49.4 Å²	49.4	18%	0.175	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	8.7	-177.7	0	0	0	0	0	114.1	P199 D230 Q234 L235	P199-G232 VanDerWaalsContact CD-C 3.47Å; P199-G232 WeakPolarHBondContact CD-O 3.4Å; P199-G232 WeakPolarHBondContact CG-O 3.4Å; D230-G232 PolarHBondContact O-N 2.91Å; D230-G232 WeakPolarHBondContact OD1-CA 3.41Å; D230-G232 PolarHBondContact OD1-N 3.48Å; G232-Q234 VanDerWaalsContact C-N 3.26Å; G232-Q234 PolarHBondContact O-N 3.12Å; G232-L235 VanDerWaalsContact O-CB 3.31Å; G232-L235 WeakPolarHBondContact O-CB 3.38Å; G232-L235 WeakPolarHBondContact O-CG 3.43Å; G232-L235 PolarHBondContact O-N 3.18Å
233	L	96.8	Very high	96.3	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.3	-38.2	-178.4	177.6	55.5	0	0	0	112.7	I136 F180 K197 I198 D230 L235 I236 L237	I136-L233 HydrophobicContact CD1-CB 4.1Å; I136-L233 HydrophobicContact CD1-CD2 3.63Å; I136-L233 HydrophobicContact CD1-CG 3.78Å; F180-L233 HydrophobicContact CD2-CD2 3.51Å; F180-L233 HydrophobicContact CE2-CD2 3.59Å; F180-L233 HydrophobicContact CG-CD2 4.45Å; K197-L233 HydrophobicContact CB-CD1 4.42Å; I198-L233 HydrophobicContact CG1-CB 4.35Å; I198-L233 HydrophobicContact CG1-CD1 4.06Å; I198-L233 HydrophobicContact CG1-CD2 4.4Å; D230-L233 HydrophobicContact CB-CB 4.07Å; D230-L233 WeakPolarHBondContact O-CB 3.41Å; D230-L233 PolarHBondContact O-N 3.42Å; D230-L233 VanDerWaalsContact O-N 3.11Å; L233-L235 PolarHBondContact O-N 3.05Å; L233-I236 PolarHBondContact O-N 3.25Å; L233-L237 HydrophobicContact CD1-CB 4.39Å; L233-L237 HydrophobicContact CD1-CD1 4.09Å; L233-L237 HydrophobicContact CG-CB 4.41Å; L233-L237 HydrophobicContact CG-CD1 4.37Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 PolarHBondContact O-N 3.37Å
234	Q	96.1	Very high	96.1	Very high	67 Å²	67	50 Å²	50	31%	0.313	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-60.9	-13.8	176.1	68.7	173.5	-34.8	0	0	113.8	K140 V228 D230 G232	K140-Q234 HydrophobicContact CD-CB 3.9Å; K140-Q234 WeakPolarHBondContact CE-O 3.44Å; K140-Q234 PolarHBondContact NZ-O 3.02Å; V228-Q234 HydrophobicContact CG1-CG 4.34Å; V228-Q234 VanDerWaalsContact CG1-NE2 3.32Å; D230-Q234 WeakPolarHBondContact OD2-CB 3.37Å; D230-Q234 VanDerWaalsContact OD2-CG 3.24Å; D230-Q234 WeakPolarHBondContact OD2-CG 3.46Å; D230-Q234 PolarHBondContact OD2-N 2.88Å; G232-Q234 VanDerWaalsContact C-N 3.26Å; G232-Q234 PolarHBondContact O-N 3.12Å
235	L	94.6	Very high	95.9	Very high	139 Å²	139	52.3 Å²	52.3	73%	0.728	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-76.2	-18	175.9	-57.1	178	0	0	0	111.9	G232 L233	G232-L235 VanDerWaalsContact O-CB 3.31Å; G232-L235 WeakPolarHBondContact O-CB 3.38Å; G232-L235 WeakPolarHBondContact O-CG 3.43Å; G232-L235 PolarHBondContact O-N 3.18Å; L233-L235 PolarHBondContact O-N 3.05Å
236	I	89.8	Confident	95.6	Very high	103 Å²	103	49.3 Å²	49.3	53%	0.528	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-28.6	-172.2	-61.6	171.8	0	0	0	111.6	K197 P199 L233	K197-I236 HydrophobicContact CB-CG2 4.47Å; K197-I236 VanDerWaalsContact O-CD1 3.23Å; K197-I236 WeakPolarHBondContact O-CD1 3.29Å; P199-I236 HydrophobicContact CG-CD1 4.05Å; L233-I236 PolarHBondContact O-N 3.25Å
237	L	80.3	Confident	95.3	Very high	83 Å²	83	52.1 Å²	52.1	44%	0.435	29%	0.293	S	S	.	.			trans	-74.1	0	179.8	-156.4	96.3	0	0	0	113.2	I136 K140 L233	I136-L237 HydrophobicContact CD1-CD2 4.36Å; K140-L237 HydrophobicContact CB-CD2 4.25Å; K140-L237 HydrophobicContact CD-CB 4.49Å; K140-L237 WeakPolarHBondContact CD-O 3.43Å; K140-L237 PolarHBondContact NZ-O 3.1Å; L233-L237 HydrophobicContact CD1-CB 4.39Å; L233-L237 HydrophobicContact CD1-CD1 4.09Å; L233-L237 HydrophobicContact CG-CB 4.41Å; L233-L237 HydrophobicContact CG-CD1 4.37Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 PolarHBondContact O-N 3.37Å

Retrieved 237 of 237 residues in 531.3 ms (Link to these results)

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