A0A3Q0KFJ7_SCHMA Loading...

Alkyl transferase

AlphaFold DB , UniProt , Accession A0A3Q0KFJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 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	37.7	Very low	66.6	Low	186 Å²	186	78.9 Å²	78.9	92%	0.916	39%	0.389	S	S	*	.				0	101.5	0	-122	-171.6	-81.7	0	0	104.9	T57	M1-T57 HydrophobicContact SD-CG2 4.13Å
2	T	51.5	Low	69	Low	29 Å²	29	83.9 Å²	83.9	18%	0.178	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-81.2	145.3	-176.3	58.1	0	0	0	0	109.6	T4 R5 E111	T2-T4 PolarHBondContact O-N 3.31Å; T2-T4 VanDerWaalsContact O-N 3.08Å; T2-T4 PolarHBondContact OG1-OG1 2.95Å; T2-R5 PolarHBondContact O-N 3.34Å; T2-R5 PolarHBondContact OG1-N 2.91Å; T2-E111 WeakPolarHBondContact CB-OE2 3.39Å; T2-E111 WeakPolarHBondContact CG2-OE2 3.48Å; T2-E111 PolarHBondContact OG1-OE2 2.74Å
3	W	55.7	Low	71	Confident	19 Å²	19	87.4 Å²	87.4	7%	0.072	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-28.7	175.3	-84.4	83.3	0	0	0	113.8	F56 L59 L63 K101 L105 L151	W3-F56 HydrophobicContact CD2-CE1 4.47Å; W3-F56 HydrophobicContact CD2-CE2 4.4Å; W3-F56 AromaticContact CD2-CZ 3.87Å; W3-F56 HydrophobicContact CD2-CZ 3.87Å; W3-F56 AromaticContact CE2-CE1 3.98Å; W3-F56 AromaticContact CE2-CE2 3.5Å; W3-F56 AromaticContact CE2-CZ 3.03Å; W3-F56 HydrophobicContact CG-CZ 4.45Å; W3-F56 HydrophobicContact CH2-CD2 4.34Å; W3-F56 AromaticContact CH2-CE2 3.46Å; W3-F56 HydrophobicContact CH2-CE2 3.46Å; W3-F56 VanDerWaalsContact CH2-CE2 3.46Å; W3-F56 AromaticContact CH2-CZ 3.92Å; W3-F56 HydrophobicContact CH2-CZ 3.92Å; W3-F56 HydrophobicContact CZ2-CD2 4.19Å; W3-F56 HydrophobicContact CZ2-CE1 4.33Å; W3-F56 AromaticContact CZ2-CE2 2.99Å; W3-F56 HydrophobicContact CZ2-CE2 2.99Å; W3-F56 AromaticContact CZ2-CZ 3.11Å; W3-F56 HydrophobicContact CZ2-CZ 3.11Å; W3-F56 HydrophobicContact CZ3-CE2 4.35Å; W3-F56 AromaticContact NE1-CE1 3.92Å; W3-F56 AromaticContact NE1-CZ 3.16Å; W3-L59 HydrophobicContact CH2-CD2 3.79Å; W3-L59 HydrophobicContact CZ3-CD2 3.51Å; W3-L59 HydrophobicContact CZ3-CG 4.11Å; W3-L63 HydrophobicContact CE3-CD1 3.9Å; W3-L63 HydrophobicContact CZ3-CD1 4.04Å; W3-K101 HydrophobicContact CZ2-CB 4.09Å; W3-L105 HydrophobicContact CB-CD2 3.69Å; W3-L105 HydrophobicContact CD2-CD1 4.22Å; W3-L105 HydrophobicContact CD2-CD2 3.94Å; W3-L105 HydrophobicContact CD2-CG 4.26Å; W3-L105 HydrophobicContact CG-CD2 3.52Å; W3-L105 HydrophobicContact CG-CG 4.08Å; W3-L105 HydrophobicContact CH2-CD1 4.49Å; W3-L105 HydrophobicContact CZ2-CD1 3.81Å; W3-L105 HydrophobicContact CZ2-CG 4.48Å; W3-L151 HydrophobicContact CE3-CD2 4.41Å; W3-L151 HydrophobicContact CZ3-CD2 4.08Å
4	T	54.7	Low	72.6	Confident	5 Å²	5	88.7 Å²	88.7	3%	0.031	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-27.5	-169.5	49.9	0	0	0	0	112.5	T2 Q64 R67 E111 L112 I117	T2-T4 PolarHBondContact O-N 3.31Å; T2-T4 VanDerWaalsContact O-N 3.08Å; T2-T4 PolarHBondContact OG1-OG1 2.95Å; T4-Q64 PolarHBondContact O-OE1 3.3Å; T4-Q64 VanDerWaalsContact O-OE1 3.08Å; T4-R67 PolarHBondContact O-NH1 3.01Å; T4-R67 PolarHBondContact O-NH2 3.04Å; T4-R67 VanDerWaalsContact O-NH2 3.11Å; T4-E111 PolarHBondContact OG1-OE2 2.94Å; T4-L112 HydrophobicContact CG2-CD2 3.5Å; T4-L112 HydrophobicContact CG2-CG 4.42Å; T4-I117 HydrophobicContact CG2-CD1 3.71Å
5	R	57	Low	74	Confident	144 Å²	144	90.2 Å²	90.2	54%	0.543	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-136.5	79	-174.1	-68.8	-175.4	175.7	-178.8	0.1	110.8	T2 D115	T2-R5 PolarHBondContact O-N 3.34Å; T2-R5 PolarHBondContact OG1-N 2.91Å; R5-D115 IonicContact NE-OD1 3.88Å; R5-D115 IonicContact NH2-OD1 3.37Å; R5-D115 PolarHBondContact NH2-OD1 3.46Å
6	S	60.8	Low	75.3	Confident	21 Å²	21	91 Å²	91	15%	0.147	45%	0.449	C	S	.	.			trans	-77.6	122.9	151.8	56.8	0	0	0	0	107.9	V8 Q64	S6-V8 PolarHBondContact O-N 3.5Å; S6-V8 WeakPolarHBondContact OG-CG2 3.41Å; S6-Q64 WeakPolarHBondContact OG-CB 3.43Å
7	E	68.4	Low	76.4	Confident	178 Å²	178	89.5 Å²	89.5	83%	0.832	45%	0.448	S	S	*	.			trans	-70.9	74.5	169.1	-69.3	-175.4	-179.5	0	0	109.4	Q9	E7-Q9 PolarHBondContact O-N 3.33Å; E7-Q9 VanDerWaalsContact O-N 3.08Å
8	V	78.8	Confident	77.3	Confident	37 Å²	37	85.9 Å²	85.9	22%	0.224	43%	0.431	C	S	.	.			trans	-68	110.9	174.5	-179.8	0	0	0	0	107.7	S6 Y10 Q64	S6-V8 PolarHBondContact O-N 3.5Å; S6-V8 WeakPolarHBondContact OG-CG2 3.41Å; V8-Y10 HydrophobicContact CB-CE1 4.5Å; V8-Y10 HydrophobicContact CB-CE2 4.35Å; V8-Y10 HydrophobicContact CG1-CD1 3.98Å; V8-Y10 HydrophobicContact CG1-CE1 3.52Å; V8-Y10 HydrophobicContact CG1-CE2 4.12Å; V8-Y10 HydrophobicContact CG1-CG 4.47Å; V8-Y10 PolarHBondContact O-N 3.47Å; V8-Q64 HydrophobicContact CB-CG 4.46Å; V8-Q64 HydrophobicContact CG2-CB 4.07Å; V8-Q64 HydrophobicContact CG2-CG 3.91Å
9	Q	85.3	Confident	78	Confident	170 Å²	170	87.8 Å²	87.8	79%	0.794	44%	0.438	S	S	*	.			trans	-85.8	111	172.7	-64.7	-172.9	1.2	0	0	109.9	E7	E7-Q9 PolarHBondContact O-N 3.33Å; E7-Q9 VanDerWaalsContact O-N 3.08Å
10	Y	89.2	Confident	78.8	Confident	42 Å²	42	86.6 Å²	86.6	17%	0.165	44%	0.442	C	S	.	.			trans	-84.2	130.3	175.2	-59.6	-71.4	0	0	0	111.7	V8 Q14 K15 L18 W65 D68	V8-Y10 HydrophobicContact CB-CE1 4.5Å; V8-Y10 HydrophobicContact CB-CE2 4.35Å; V8-Y10 HydrophobicContact CG1-CD1 3.98Å; V8-Y10 HydrophobicContact CG1-CE1 3.52Å; V8-Y10 HydrophobicContact CG1-CE2 4.12Å; V8-Y10 HydrophobicContact CG1-CG 4.47Å; V8-Y10 PolarHBondContact O-N 3.47Å; Y10-Q14 HydrophobicContact CD1-CB 4.12Å; Y10-K15 VanDerWaalsContact O-CE 3.28Å; Y10-K15 WeakPolarHBondContact O-CE 3.48Å; Y10-L18 HydrophobicContact CD1-CD1 3.63Å; Y10-L18 HydrophobicContact CD2-CD1 3.99Å; Y10-L18 HydrophobicContact CE1-CD1 3.63Å; Y10-L18 HydrophobicContact CE2-CD1 3.99Å; Y10-L18 HydrophobicContact CG-CD1 3.8Å; Y10-W65 AromaticContact CE1-CD1 3.92Å; Y10-W65 AromaticContact CZ-CD1 3.98Å; Y10-W65 VanDerWaalsContact OH-CD1 3.24Å; Y10-D68 HydrophobicContact CE2-CB 4.43Å; Y10-D68 WeakPolarHBondContact CE2-OD2 3.35Å; Y10-D68 VanDerWaalsContact CZ-OD2 3.26Å; Y10-D68 WeakPolarHBondContact OH-CB 3.38Å; Y10-D68 PolarHBondContact OH-OD2 3.32Å
11	G	93.4	Very high	79.5	Confident	37 Å²	37	86.5 Å²	86.5	38%	0.381	44%	0.441	S	S	.	.			trans	-65.6	166.2	165.7	0	0	0	0	0	112.1	L13 Q14 K15	G11-L13 VanDerWaalsContact C-N 3.32Å; G11-L13 PolarHBondContact O-N 3.4Å; G11-Q14 PolarHBondContact O-N 2.87Å; G11-K15 PolarHBondContact O-N 3.26Å
12	I	95.4	Very high	82.1	Confident	139 Å²	139	82.3 Å²	82.3	71%	0.713	42%	0.418	S	S	*	.	H	α-helix	trans	-56.2	-46.4	-177.8	-65.7	167	0	0	0	111.3	Q14 K15 I16	I12-Q14 PolarHBondContact O-N 3.41Å; I12-K15 PolarHBondContact O-N 2.91Å; I12-I16 HydrophobicContact CG2-CD1 3.92Å; I12-I16 WeakPolarHBondContact O-CG1 3.33Å; I12-I16 PolarHBondContact O-N 2.66Å
13	L	95.5	Very high	84	Confident	129 Å²	129	91.2 Å²	91.2	68%	0.675	45%	0.45	S	S	*	.	H	α-helix	trans	-62.2	-44.1	179.4	-177.3	62.4	0	0	0	111.8	G11 K15 I16 C17	G11-L13 VanDerWaalsContact C-N 3.32Å; G11-L13 PolarHBondContact O-N 3.4Å; L13-K15 VanDerWaalsContact C-N 3.33Å; L13-K15 PolarHBondContact O-N 3.48Å; L13-I16 PolarHBondContact O-N 3.22Å; L13-C17 PolarHBondContact O-N 3.34Å; L13-C17 PolarHBondContact O-SG 2.86Å
14	Q	93.6	Very high	85.8	Confident	106 Å²	106	92.1 Å²	92.1	50%	0.495	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-41.5	177.4	-70.7	170.5	-35.8	0	0	111.2	Y10 G11 I12 C17 L18	Y10-Q14 HydrophobicContact CD1-CB 4.12Å; G11-Q14 PolarHBondContact O-N 2.87Å; I12-Q14 PolarHBondContact O-N 3.41Å; Q14-C17 PolarHBondContact O-N 3.4Å; Q14-L18 WeakPolarHBondContact O-CB 3.5Å; Q14-L18 VanDerWaalsContact O-CG 3.23Å; Q14-L18 WeakPolarHBondContact O-CG 3.48Å; Q14-L18 PolarHBondContact O-N 2.75Å
15	K	92.5	Very high	87.8	Confident	111 Å²	111	98.3 Å²	98.3	48%	0.483	51%	0.505	S	S	.	.	H	α-helix	trans	-60.3	-46.8	174	-70.6	178.8	178.4	174.1	0	111.3	Y10 G11 I12 L13 C17 L18 H19	Y10-K15 VanDerWaalsContact O-CE 3.28Å; Y10-K15 WeakPolarHBondContact O-CE 3.48Å; G11-K15 PolarHBondContact O-N 3.26Å; I12-K15 PolarHBondContact O-N 2.91Å; L13-K15 VanDerWaalsContact C-N 3.33Å; L13-K15 PolarHBondContact O-N 3.48Å; K15-C17 VanDerWaalsContact C-N 3.35Å; K15-C17 PolarHBondContact O-N 2.91Å; K15-L18 PolarHBondContact O-N 2.9Å; K15-H19 PolarHBondContact O-N 3.3Å; K15-H19 PolarHBondContact O-ND1 3.17Å
16	I	95	Very high	89.6	Confident	103 Å²	103	94.2 Å²	94.2	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-47.7	178	-67.3	167.2	0	0	0	110.3	I12 L13 H19 A20	I12-I16 HydrophobicContact CG2-CD1 3.92Å; I12-I16 WeakPolarHBondContact O-CG1 3.33Å; I12-I16 PolarHBondContact O-N 2.66Å; L13-I16 PolarHBondContact O-N 3.22Å; I16-H19 PolarHBondContact O-N 3.48Å; I16-A20 WeakPolarHBondContact O-CB 3.45Å; I16-A20 PolarHBondContact O-N 3.43Å
17	C	94.6	Very high	91.3	Very high	65 Å²	65	96.5 Å²	96.5	44%	0.439	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-45.8	177.4	-67.6	0	0	0	0	112.1	L13 Q14 K15 H19 A20 I21	L13-C17 PolarHBondContact O-N 3.34Å; L13-C17 PolarHBondContact O-SG 2.86Å; Q14-C17 PolarHBondContact O-N 3.4Å; K15-C17 VanDerWaalsContact C-N 3.35Å; K15-C17 PolarHBondContact O-N 2.91Å; C17-H19 VanDerWaalsContact C-N 3.3Å; C17-H19 PolarHBondContact O-N 3.38Å; C17-A20 PolarHBondContact O-N 3.01Å; C17-A20 VanDerWaalsContact O-N 3.15Å; C17-I21 WeakPolarHBondContact O-CG1 3.44Å; C17-I21 WeakPolarHBondContact O-CG2 3.35Å; C17-I21 PolarHBondContact O-N 3.13Å
18	L	92.1	Very high	92.6	Very high	26 Å²	26	95.1 Å²	95.1	14%	0.136	50%	0.499	C	S	.	.	H	α-helix	trans	-58.5	-40.1	177.1	-77	170.7	0	0	0	112.1	Y10 Q14 K15 I21 K22 I69	Y10-L18 HydrophobicContact CD1-CD1 3.63Å; Y10-L18 HydrophobicContact CD2-CD1 3.99Å; Y10-L18 HydrophobicContact CE1-CD1 3.63Å; Y10-L18 HydrophobicContact CE2-CD1 3.99Å; Y10-L18 HydrophobicContact CG-CD1 3.8Å; Q14-L18 WeakPolarHBondContact O-CB 3.5Å; Q14-L18 VanDerWaalsContact O-CG 3.23Å; Q14-L18 WeakPolarHBondContact O-CG 3.48Å; Q14-L18 PolarHBondContact O-N 2.75Å; K15-L18 PolarHBondContact O-N 2.9Å; L18-I21 HydrophobicContact CD2-CD1 4.22Å; L18-I21 WeakPolarHBondContact O-CG1 3.47Å; L18-K22 WeakPolarHBondContact O-CD 3.4Å; L18-K22 VanDerWaalsContact O-CG 3.23Å; L18-K22 WeakPolarHBondContact O-CG 3.45Å; L18-K22 PolarHBondContact O-N 3.39Å; L18-I69 HydrophobicContact CD2-CD1 4.2Å; L18-I69 HydrophobicContact CD2-CG1 3.51Å
19	H	91.2	Very high	93.5	Very high	122 Å²	122	97.7 Å²	97.7	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-69	-44.1	174.8	-72	85.4	0	0	0	111.2	K15 I16 C17 I21 K22 Y23	K15-H19 PolarHBondContact O-N 3.3Å; K15-H19 PolarHBondContact O-ND1 3.17Å; I16-H19 PolarHBondContact O-N 3.48Å; C17-H19 VanDerWaalsContact C-N 3.3Å; C17-H19 PolarHBondContact O-N 3.38Å; H19-I21 PolarHBondContact O-N 3.27Å; H19-K22 PolarHBondContact O-N 3.24Å; H19-Y23 WeakPolarHBondContact O-CD2 3.46Å
20	A	94.5	Very high	94.1	Very high	62 Å²	62	91.2 Å²	91.2	51%	0.512	48%	0.481	S	S	.	.	H	α-helix	trans	-61.2	-45.4	-179	0	0	0	0	0	112.6	I16 C17 K22 Y23	I16-A20 WeakPolarHBondContact O-CB 3.45Å; I16-A20 PolarHBondContact O-N 3.43Å; C17-A20 PolarHBondContact O-N 3.01Å; C17-A20 VanDerWaalsContact O-N 3.15Å; A20-K22 VanDerWaalsContact C-N 3.28Å; A20-K22 PolarHBondContact O-N 3.25Å; A20-Y23 PolarHBondContact O-N 3.03Å
21	I	92.4	Very high	94.5	Very high	85 Å²	85	92.7 Å²	92.7	44%	0.436	50%	0.501	S	S	.	.	H	α-helix	trans	-67.2	-29.2	-179.1	64.9	-179.8	0	0	0	112.7	C17 L18 H19 Y23 G24 I69	C17-I21 WeakPolarHBondContact O-CG1 3.44Å; C17-I21 WeakPolarHBondContact O-CG2 3.35Å; C17-I21 PolarHBondContact O-N 3.13Å; L18-I21 HydrophobicContact CD2-CD1 4.22Å; L18-I21 WeakPolarHBondContact O-CG1 3.47Å; H19-I21 PolarHBondContact O-N 3.27Å; I21-Y23 PolarHBondContact O-N 3.4Å; I21-G24 PolarHBondContact O-N 3.18Å; I21-I69 HydrophobicContact CD1-CD1 4.15Å; I21-I69 HydrophobicContact CD1-CG1 4.04Å; I21-I69 HydrophobicContact CD1-CG2 4.2Å
22	K	92	Very high	94.7	Very high	99 Å²	99	94.2 Å²	94.2	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-69	-17	178.2	-77.5	176.9	177.3	-170.5	0	114.1	L18 H19 A20 G24 I26 D68 I69	L18-K22 WeakPolarHBondContact O-CD 3.4Å; L18-K22 VanDerWaalsContact O-CG 3.23Å; L18-K22 WeakPolarHBondContact O-CG 3.45Å; L18-K22 PolarHBondContact O-N 3.39Å; H19-K22 PolarHBondContact O-N 3.24Å; A20-K22 VanDerWaalsContact C-N 3.28Å; A20-K22 PolarHBondContact O-N 3.25Å; K22-G24 VanDerWaalsContact C-N 3.25Å; K22-I26 HydrophobicContact CB-CD1 4.49Å; K22-I26 HydrophobicContact CG-CD1 4.2Å; K22-D68 WeakPolarHBondContact CE-O 3.31Å; K22-D68 PolarHBondContact NZ-O 2.69Å; K22-I69 WeakPolarHBondContact CE-O 3.29Å
23	Y	92.7	Very high	94.7	Very high	216 Å²	216	94.2 Å²	94.2	85%	0.847	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.7	171.3	-78	-83.5	0	0	0	112.8	H19 A20 I21	H19-Y23 WeakPolarHBondContact O-CD2 3.46Å; A20-Y23 PolarHBondContact O-N 3.03Å; I21-Y23 PolarHBondContact O-N 3.4Å
24	G	93.7	Very high	94.5	Very high	37 Å²	37	90.6 Å²	90.6	38%	0.381	48%	0.478	S	S	.	.	S	Bend	trans	-93.8	-177	175.8	0	0	0	0	0	113.3	I21 K22 I26	I21-G24 PolarHBondContact O-N 3.18Å; K22-G24 VanDerWaalsContact C-N 3.25Å; G24-I26 PolarHBondContact O-N 2.93Å
25	P	95	Very high	94.4	Very high	135 Å²	135	91 Å²	91	88%	0.877	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-66.4	127.8	172	28.2	-33.3	0	0	0	110.7
26	I	95	Very high	94.5	Very high	58 Å²	58	86.6 Å²	86.6	30%	0.297	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-97.2	131.8	175.5	-61.7	166.8	0	0	0	108.4	K22 G24 K28 I69 I71	K22-I26 HydrophobicContact CB-CD1 4.49Å; K22-I26 HydrophobicContact CG-CD1 4.2Å; G24-I26 PolarHBondContact O-N 2.93Å; I26-K28 PolarHBondContact O-N 3.14Å; I26-I69 WeakPolarHBondContact CD1-O 3.42Å; I26-I69 HydrophobicContact CG2-CG2 4.18Å; I26-I71 HydrophobicContact CG2-CG1 4.14Å
27	P	96.9	Very high	94.4	Very high	69 Å²	69	83.3 Å²	83.3	45%	0.448	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-63.9	127.4	173	26.5	-32.2	0	0	0	109.6	H29 V30 I71	P27-H29 VanDerWaalsContact C-N 3.29Å; P27-H29 PolarHBondContact O-N 3.17Å; P27-V30 HydrophobicContact CB-CG2 4.06Å; P27-V30 HydrophobicContact CG-CG2 3.87Å; P27-I71 HydrophobicContact CG-CD1 4.26Å; P27-I71 HydrophobicContact CG-CG1 4.22Å; P27-I71 WeakPolarHBondContact O-CG1 3.44Å
28	K	96.2	Very high	94.2	Very high	149 Å²	149	85.1 Å²	85.1	65%	0.648	45%	0.45	S	S	*	.	S	Bend	trans	-69.2	-31.2	177.3	-65.3	-170	174.1	-168.4	0	112.5	I26 E72 E73	I26-K28 PolarHBondContact O-N 3.14Å; K28-E72 PolarHBondContact O-N 3.43Å; K28-E73 PolarHBondContact O-N 3.18Å
29	H	98	Very high	94.3	Very high	91 Å²	91	91.4 Å²	91.4	42%	0.421	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.8	-177.7	177.1	-153.6	0	0	0	111.1	P27 E73 S75	P27-H29 VanDerWaalsContact C-N 3.29Å; P27-H29 PolarHBondContact O-N 3.17Å; H29-E73 VanDerWaalsContact CA-O 3.27Å; H29-E73 WeakPolarHBondContact CA-O 3.43Å; H29-E73 HydrophobicContact CB-CB 4.13Å; H29-E73 PolarHBondContact CD2-O 2.91Å; H29-S75 PolarHBondContact CE1-OG 2.87Å; H29-S75 WeakPolarHBondContact NE2-CB 3.46Å; H29-S75 PolarHBondContact NE2-OG 2.96Å
30	V	97.8	Very high	94.5	Very high	35 Å²	35	89.7 Å²	89.7	21%	0.212	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.3	172.1	179.6	0	0	0	0	110.4	P27 F32 I71 E73 V74 S75	P27-V30 HydrophobicContact CB-CG2 4.06Å; P27-V30 HydrophobicContact CG-CG2 3.87Å; V30-F32 HydrophobicContact CB-CE2 4.25Å; V30-F32 HydrophobicContact CB-CZ 4.49Å; V30-F32 HydrophobicContact CG1-CD2 4.26Å; V30-F32 HydrophobicContact CG1-CE1 4.12Å; V30-F32 HydrophobicContact CG1-CE2 3.61Å; V30-F32 HydrophobicContact CG1-CZ 3.53Å; V30-I71 HydrophobicContact CB-CG2 4.47Å; V30-I71 HydrophobicContact CG2-CD1 3.7Å; V30-I71 HydrophobicContact CG2-CG1 4.4Å; V30-I71 HydrophobicContact CG2-CG2 4.14Å; V30-E73 PolarHBondContact N-O 3.09Å; V30-E73 VanDerWaalsContact N-O 3.07Å; V30-V74 CarbonylContact O-C 3.57Å; V30-V74 VanDerWaalsContact O-CA 3.29Å; V30-V74 WeakPolarHBondContact O-CA 3.14Å; V30-S75 PolarHBondContact O-N 2.8Å
31	A	98	Very high	94.5	Very high	73 Å²	73	86.8 Å²	86.8	60%	0.603	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.1	175.8	0	0	0	0	0	111.8	S75	A31-S75 CarbonylContact C-O 3.45Å; A31-S75 WeakPolarHBondContact CA-O 3.43Å
32	F	97	Very high	94.6	Very high	69 Å²	69	87.2 Å²	87.2	30%	0.303	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.4	-179.7	-63.8	-81.1	0	0	0	111.7	V30 M34 T62 V74 S75 I76 F77	V30-F32 HydrophobicContact CB-CE2 4.25Å; V30-F32 HydrophobicContact CB-CZ 4.49Å; V30-F32 HydrophobicContact CG1-CD2 4.26Å; V30-F32 HydrophobicContact CG1-CE1 4.12Å; V30-F32 HydrophobicContact CG1-CE2 3.61Å; V30-F32 HydrophobicContact CG1-CZ 3.53Å; F32-M34 HydrophobicContact CB-CG 4.45Å; F32-T62 HydrophobicContact CE1-CG2 4Å; F32-T62 HydrophobicContact CE2-CG2 3.93Å; F32-T62 HydrophobicContact CZ-CG2 3.63Å; F32-V74 HydrophobicContact CD2-CG1 3.7Å; F32-V74 HydrophobicContact CE2-CG1 3.79Å; F32-S75 PolarHBondContact N-O 2.86Å; F32-I76 HydrophobicContact CB-CG2 4.3Å; F32-I76 HydrophobicContact CD2-CG2 4.44Å; F32-F77 PolarHBondContact O-N 3.3Å
33	I	95.4	Very high	94.7	Very high	138 Å²	138	85.7 Å²	85.7	71%	0.708	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	108.2	163.6	-58.8	178.1	0	0	0	107.2	D35 F77	I33-D35 HydrophobicContact CG2-CB 4.21Å; I33-D35 PolarHBondContact O-N 3.47Å; I33-F77 HydrophobicContact CG1-CD1 4.42Å; I33-F77 HydrophobicContact CG2-CD1 4.39Å
34	M	91	Very high	94.8	Very high	53 Å²	53	81.7 Å²	81.7	26%	0.261	44%	0.442	S	S	.	.			trans	-85.1	56.7	-173.8	-56.8	-172.5	-58.8	0	0	112	F32 N37 L59 I76 T78	F32-M34 HydrophobicContact CB-CG 4.45Å; M34-N37 PolarHBondContact O-ND2 3.36Å; M34-L59 HydrophobicContact CE-CD2 4.15Å; M34-L59 HydrophobicContact SD-CB 3.95Å; M34-L59 HydrophobicContact SD-CD1 3.79Å; M34-L59 HydrophobicContact SD-CD2 3.78Å; M34-L59 HydrophobicContact SD-CG 4.05Å; M34-I76 HydrophobicContact CE-CB 4.21Å; M34-I76 HydrophobicContact CE-CD1 4.3Å; M34-I76 HydrophobicContact SD-CB 4.2Å; M34-I76 HydrophobicContact SD-CG2 4.29Å; M34-T78 HydrophobicContact CE-CG2 3.62Å
35	D	92.7	Very high	94.9	Very high	116 Å²	116	88.5 Å²	88.5	62%	0.62	47%	0.466	S	S	*	.			trans	-85.2	159.8	178.7	-172.4	16.9	0	0	0	111.4	I33 R39	I33-D35 HydrophobicContact CG2-CB 4.21Å; I33-D35 PolarHBondContact O-N 3.47Å; D35-R39 IonicContact OD1-NH2 3.57Å; D35-R39 PolarHBondContact OD1-NH2 2.77Å; D35-R39 VanDerWaalsContact OD1-NH2 3.11Å; D35-R39 IonicContact OD2-CZ 2.75Å; D35-R39 IonicContact OD2-NH2 2.68Å; D35-R39 PolarHBondContact OD2-NH2 2.98Å
36	G	93.1	Very high	94.7	Very high	18 Å²	18	85.3 Å²	85.3	19%	0.186	44%	0.441	C	S	.	.			trans	106.9	-9.5	174.1	0	0	0	0	0	114.7	R38 R39 F40	G36-R38 VanDerWaalsContact C-N 3.32Å; G36-R38 PolarHBondContact O-N 3.32Å; G36-R39 PolarHBondContact O-N 3.35Å; G36-R39 VanDerWaalsContact O-N 3.07Å; G36-F40 PolarHBondContact O-N 3.46Å
37	N	92.5	Very high	94.5	Very high	34 Å²	34	89.9 Å²	89.9	18%	0.182	46%	0.459	C	S	.	.	H	α-helix	trans	-54.5	-43.5	-175.3	-62.1	-33.5	0	0	0	113.7	M34 F40 A41 G55	M34-N37 PolarHBondContact O-ND2 3.36Å; N37-F40 PolarHBondContact O-N 2.94Å; N37-A41 PolarHBondContact O-N 3.32Å; N37-G55 WeakPolarHBondContact OD1-CA 3.25Å
38	R	90.6	Very high	94.2	Very high	102 Å²	102	91.3 Å²	91.3	39%	0.385	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-46.2	177.4	-64.5	-177.3	-63.3	155.2	5.5	111.9	G36 F40 A41 D42 K48	G36-R38 VanDerWaalsContact C-N 3.32Å; G36-R38 PolarHBondContact O-N 3.32Å; R38-F40 VanDerWaalsContact C-N 3.3Å; R38-F40 PolarHBondContact O-N 3.07Å; R38-A41 WeakPolarHBondContact O-CB 3.13Å; R38-A41 PolarHBondContact O-N 2.81Å; R38-D42 PolarHBondContact O-N 3.45Å; R38-K48 HydrophobicContact CG-CD 4.35Å; R38-K48 HydrophobicContact CG-CG 4.38Å
39	R	94.3	Very high	93.8	Very high	159 Å²	159	85.7 Å²	85.7	60%	0.6	44%	0.438	S	S	*	.	H	α-helix	trans	-62.4	-37.4	177.4	-75.8	174	-79.1	173.8	-5.3	111.9	D35 G36 G43	D35-R39 IonicContact OD1-NH2 3.57Å; D35-R39 PolarHBondContact OD1-NH2 2.77Å; D35-R39 VanDerWaalsContact OD1-NH2 3.11Å; D35-R39 IonicContact OD2-CZ 2.75Å; D35-R39 IonicContact OD2-NH2 2.68Å; D35-R39 PolarHBondContact OD2-NH2 2.98Å; G36-R39 PolarHBondContact O-N 3.35Å; G36-R39 VanDerWaalsContact O-N 3.07Å; R39-G43 PolarHBondContact O-N 2.95Å
40	F	95.2	Very high	93.4	Very high	86 Å²	86	84 Å²	84	38%	0.377	43%	0.432	S	S	.	.	H	α-helix	trans	-63.6	-46.5	173.5	173.3	-94	0	0	0	111.5	G36 N37 R38 G43 K44 H54	G36-F40 PolarHBondContact O-N 3.46Å; N37-F40 PolarHBondContact O-N 2.94Å; R38-F40 VanDerWaalsContact C-N 3.3Å; R38-F40 PolarHBondContact O-N 3.07Å; F40-G43 PolarHBondContact O-N 3.28Å; F40-K44 HydrophobicContact CE1-CG 4.44Å; F40-K44 HydrophobicContact CE2-CG 4.18Å; F40-K44 HydrophobicContact CZ-CG 4.11Å; F40-K44 WeakPolarHBondContact O-CG 3.5Å; F40-K44 PolarHBondContact O-N 2.94Å; F40-K44 VanDerWaalsContact O-N 3.11Å; F40-H54 HydrophobicContact CD1-CB 4.37Å; F40-H54 HydrophobicContact CE1-CB 3.82Å; F40-H54 AromaticContact CE1-CD2 4Å; F40-H54 AromaticContact CE1-CG 3.76Å
41	A	94.4	Very high	93.1	Very high	0 Å²	0	82.4 Å²	82.4	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-59.5	-48.9	175.8	0	0	0	0	0	111.5	N37 R38 G43 K44 M45 L46 K47	N37-A41 PolarHBondContact O-N 3.32Å; R38-A41 WeakPolarHBondContact O-CB 3.13Å; R38-A41 PolarHBondContact O-N 2.81Å; A41-G43 VanDerWaalsContact C-N 3.34Å; A41-G43 PolarHBondContact O-N 3.32Å; A41-K44 CarbonylContact O-C 3.56Å; A41-K44 PolarHBondContact O-N 3.46Å; A41-K44 VanDerWaalsContact O-N 3.08Å; A41-M45 PolarHBondContact O-N 2.68Å; A41-L46 HydrophobicContact CB-CB 4.32Å; A41-L46 PolarHBondContact O-N 3.33Å; A41-K47 WeakPolarHBondContact CB-O 3.47Å
42	D	94.3	Very high	92.7	Very high	95 Å²	95	80 Å²	80	51%	0.508	40%	0.398	S	S	.	.	H	α-helix	trans	-58.8	-45.6	179	-62.4	-26.2	0	0	0	111	R38 K44 M45	R38-D42 PolarHBondContact O-N 3.45Å; D42-K44 PolarHBondContact O-N 3.06Å; D42-M45 PolarHBondContact O-N 3.07Å; D42-M45 VanDerWaalsContact O-N 3.12Å
43	G	95.8	Very high	92.2	Very high	67 Å²	67	80.5 Å²	80.5	69%	0.691	40%	0.403	S	S	*	.	H	α-helix	trans	-67.6	-16.5	178.2	0	0	0	0	0	114.9	R39 F40 A41	R39-G43 PolarHBondContact O-N 2.95Å; F40-G43 PolarHBondContact O-N 3.28Å; A41-G43 VanDerWaalsContact C-N 3.34Å; A41-G43 PolarHBondContact O-N 3.32Å
44	K	95	Very high	92	Very high	131 Å²	131	78.2 Å²	78.2	57%	0.57	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	4.9	174.5	-67.1	-65.1	-174.6	179.9	0	113.1	F40 A41 D42 L46	F40-K44 HydrophobicContact CE1-CG 4.44Å; F40-K44 HydrophobicContact CE2-CG 4.18Å; F40-K44 HydrophobicContact CZ-CG 4.11Å; F40-K44 WeakPolarHBondContact O-CG 3.5Å; F40-K44 PolarHBondContact O-N 2.94Å; F40-K44 VanDerWaalsContact O-N 3.11Å; A41-K44 CarbonylContact O-C 3.56Å; A41-K44 PolarHBondContact O-N 3.46Å; A41-K44 VanDerWaalsContact O-N 3.08Å; D42-K44 PolarHBondContact O-N 3.06Å; K44-L46 HydrophobicContact CB-CD1 3.8Å; K44-L46 HydrophobicContact CB-CG 3.77Å; K44-L46 PolarHBondContact O-N 2.9Å
45	M	93.8	Very high	92	Very high	181 Å²	181	76.4 Å²	76.4	89%	0.892	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	35	-173.8	-56.6	178.9	-72.6	0	0	112.8	A41 D42	A41-M45 PolarHBondContact O-N 2.68Å; D42-M45 PolarHBondContact O-N 3.07Å; D42-M45 VanDerWaalsContact O-N 3.12Å
46	L	92.5	Very high	91.7	Very high	67 Å²	67	72.3 Å²	72.3	35%	0.351	36%	0.362	S	S	.	.			trans	-98.4	165.9	177.5	-61.8	176.3	0	0	0	110.9	A41 K44 D50	A41-L46 HydrophobicContact CB-CB 4.32Å; A41-L46 PolarHBondContact O-N 3.33Å; K44-L46 HydrophobicContact CB-CD1 3.8Å; K44-L46 HydrophobicContact CB-CG 3.77Å; K44-L46 PolarHBondContact O-N 2.9Å; L46-D50 HydrophobicContact CB-CB 4.11Å; L46-D50 HydrophobicContact CD1-CB 4.49Å
47	K	90.9	Very high	91.4	Very high	154 Å²	154	73.7 Å²	73.7	67%	0.67	37%	0.366	S	S	*	.			trans	-69.7	149	170.7	-61.7	176.9	-179.3	175.4	0	109.3	A41 S49 D50 G51	A41-K47 WeakPolarHBondContact CB-O 3.47Å; K47-S49 WeakPolarHBondContact CB-OG 2.91Å; K47-S49 PolarHBondContact O-N 3.41Å; K47-D50 WeakPolarHBondContact CB-OD2 3.33Å; K47-D50 PolarHBondContact N-OD2 2.86Å; K47-D50 VanDerWaalsContact N-OD2 3.1Å; K47-D50 WeakPolarHBondContact O-CB 3.49Å; K47-D50 PolarHBondContact O-N 2.72Å; K47-G51 PolarHBondContact O-N 3.5Å
48	K	89.3	Confident	91.4	Very high	99 Å²	99	76.9 Å²	76.9	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-54.9	-36.8	176.2	-68.2	178.2	-179.5	170.8	0	112.4	R38 D50 G51 H52	R38-K48 HydrophobicContact CG-CD 4.35Å; R38-K48 HydrophobicContact CG-CG 4.38Å; K48-D50 VanDerWaalsContact C-N 3.28Å; K48-D50 PolarHBondContact O-N 3.47Å; K48-G51 PolarHBondContact O-N 2.97Å; K48-H52 PolarHBondContact O-CD2 2.81Å; K48-H52 PolarHBondContact O-N 3.17Å; K48-H52 VanDerWaalsContact O-N 3.15Å
49	S	87.6	Confident	91.4	Very high	32 Å²	32	72.4 Å²	72.4	22%	0.224	36%	0.362	C	S	.	.	H	α-helix	trans	-54.6	-43.1	172.9	50.2	0	0	0	0	112.6	K47 G51 H52 L53 F93	K47-S49 WeakPolarHBondContact CB-OG 2.91Å; K47-S49 PolarHBondContact O-N 3.41Å; S49-G51 VanDerWaalsContact C-N 3.31Å; S49-G51 PolarHBondContact O-N 3.06Å; S49-H52 WeakPolarHBondContact O-CB 3.42Å; S49-H52 PolarHBondContact O-N 3.03Å; S49-L53 PolarHBondContact O-N 2.72Å; S49-F93 VanDerWaalsContact CB-CE2 3.48Å
50	D	90.1	Very high	91.1	Very high	56 Å²	56	65.5 Å²	65.5	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-68.3	-37.1	-179.4	-51.1	-26.1	0	0	0	109.9	L46 K47 K48 H52 L53 H54	L46-D50 HydrophobicContact CB-CB 4.11Å; L46-D50 HydrophobicContact CD1-CB 4.49Å; K47-D50 WeakPolarHBondContact CB-OD2 3.33Å; K47-D50 PolarHBondContact N-OD2 2.86Å; K47-D50 VanDerWaalsContact N-OD2 3.1Å; K47-D50 WeakPolarHBondContact O-CB 3.49Å; K47-D50 PolarHBondContact O-N 2.72Å; K48-D50 VanDerWaalsContact C-N 3.28Å; K48-D50 PolarHBondContact O-N 3.47Å; D50-H52 VanDerWaalsContact C-N 3.3Å; D50-H52 PolarHBondContact O-N 3.23Å; D50-L53 PolarHBondContact O-N 2.86Å; D50-H54 PolarHBondContact O-N 2.97Å; D50-H54 PolarHBondContact O-ND1 3.11Å
51	G	91.5	Very high	90.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-40.5	172.6	0	0	0	0	0	112.9	K47 K48 S49 H54 G55	K47-G51 PolarHBondContact O-N 3.5Å; K48-G51 PolarHBondContact O-N 2.97Å; S49-G51 VanDerWaalsContact C-N 3.31Å; S49-G51 PolarHBondContact O-N 3.06Å; G51-H54 PolarHBondContact O-N 3.14Å; G51-G55 PolarHBondContact O-N 2.95Å
52	H	88.7	Confident	90.8	Very high	22 Å²	22	65 Å²	65	10%	0.102	34%	0.338	C	S	.	.	H	α-helix	trans	-66	-40.2	174.9	-73.3	-68.4	0	0	0	112.3	K48 S49 D50 G55 F56 F93 L97	K48-H52 PolarHBondContact O-CD2 2.81Å; K48-H52 PolarHBondContact O-N 3.17Å; K48-H52 VanDerWaalsContact O-N 3.15Å; S49-H52 WeakPolarHBondContact O-CB 3.42Å; S49-H52 PolarHBondContact O-N 3.03Å; D50-H52 VanDerWaalsContact C-N 3.3Å; D50-H52 PolarHBondContact O-N 3.23Å; H52-G55 PolarHBondContact O-N 2.73Å; H52-F56 PolarHBondContact O-N 3.18Å; H52-F93 HydrophobicContact CB-CE1 4.12Å; H52-L97 HydrophobicContact CB-CD2 4.16Å
53	L	88	Confident	90.7	Very high	80 Å²	80	61.4 Å²	61.4	42%	0.419	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.6	-172	64.2	0	0	0	111.9	S49 D50 F56 T57	S49-L53 PolarHBondContact O-N 2.72Å; D50-L53 PolarHBondContact O-N 2.86Å; L53-F56 WeakPolarHBondContact O-CB 3.28Å; L53-F56 PolarHBondContact O-N 3.24Å; L53-T57 PolarHBondContact O-N 2.96Å; L53-T57 PolarHBondContact O-OG1 3.08Å
54	H	90.4	Very high	90.4	Very high	91 Å²	91	59.2 Å²	59.2	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-41.7	174.7	-74.9	83	0	0	0	112.3	F40 D50 G51 F56 T57 K58	F40-H54 HydrophobicContact CD1-CB 4.37Å; F40-H54 HydrophobicContact CE1-CB 3.82Å; F40-H54 AromaticContact CE1-CD2 4Å; F40-H54 AromaticContact CE1-CG 3.76Å; D50-H54 PolarHBondContact O-N 2.97Å; D50-H54 PolarHBondContact O-ND1 3.11Å; G51-H54 PolarHBondContact O-N 3.14Å; H54-F56 PolarHBondContact O-N 3.5Å; H54-T57 PolarHBondContact O-N 3.03Å; H54-K58 WeakPolarHBondContact O-CB 3.35Å; H54-K58 PolarHBondContact O-N 3.4Å
55	G	91.3	Very high	90.2	Very high	15 Å²	15	57.4 Å²	57.4	16%	0.155	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-37.9	175.5	0	0	0	0	0	111.9	N37 G51 H52 K58 L59	N37-G55 WeakPolarHBondContact OD1-CA 3.25Å; G51-G55 PolarHBondContact O-N 2.95Å; H52-G55 PolarHBondContact O-N 2.73Å; G55-K58 PolarHBondContact O-N 3.37Å; G55-L59 PolarHBondContact O-N 3.12Å
56	F	86.2	Confident	90.2	Very high	30 Å²	30	49.1 Å²	49.1	13%	0.132	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-46.2	174.8	-173.2	-91.5	0	0	0	113.6	W3 H52 L53 H54 K58 L59 S60 K101	W3-F56 HydrophobicContact CD2-CE1 4.47Å; W3-F56 HydrophobicContact CD2-CE2 4.4Å; W3-F56 AromaticContact CD2-CZ 3.87Å; W3-F56 HydrophobicContact CD2-CZ 3.87Å; W3-F56 AromaticContact CE2-CE1 3.98Å; W3-F56 AromaticContact CE2-CE2 3.5Å; W3-F56 AromaticContact CE2-CZ 3.03Å; W3-F56 HydrophobicContact CG-CZ 4.45Å; W3-F56 HydrophobicContact CH2-CD2 4.34Å; W3-F56 AromaticContact CH2-CE2 3.46Å; W3-F56 HydrophobicContact CH2-CE2 3.46Å; W3-F56 VanDerWaalsContact CH2-CE2 3.46Å; W3-F56 AromaticContact CH2-CZ 3.92Å; W3-F56 HydrophobicContact CH2-CZ 3.92Å; W3-F56 HydrophobicContact CZ2-CD2 4.19Å; W3-F56 HydrophobicContact CZ2-CE1 4.33Å; W3-F56 AromaticContact CZ2-CE2 2.99Å; W3-F56 HydrophobicContact CZ2-CE2 2.99Å; W3-F56 AromaticContact CZ2-CZ 3.11Å; W3-F56 HydrophobicContact CZ2-CZ 3.11Å; W3-F56 HydrophobicContact CZ3-CE2 4.35Å; W3-F56 AromaticContact NE1-CE1 3.92Å; W3-F56 AromaticContact NE1-CZ 3.16Å; H52-F56 PolarHBondContact O-N 3.18Å; L53-F56 WeakPolarHBondContact O-CB 3.28Å; L53-F56 PolarHBondContact O-N 3.24Å; H54-F56 PolarHBondContact O-N 3.5Å; F56-K58 PolarHBondContact O-N 2.96Å; F56-L59 WeakPolarHBondContact O-CB 3.45Å; F56-L59 PolarHBondContact O-N 2.99Å; F56-L59 VanDerWaalsContact O-N 3.12Å; F56-S60 PolarHBondContact O-N 3.19Å; F56-S60 VanDerWaalsContact O-N 3.1Å; F56-S60 PolarHBondContact O-OG 3.12Å; F56-K101 HydrophobicContact CD1-CD 4.43Å; F56-K101 HydrophobicContact CD2-CG 4.18Å; F56-K101 HydrophobicContact CE1-CD 3.62Å; F56-K101 HydrophobicContact CE1-CG 4.02Å; F56-K101 HydrophobicContact CE2-CB 3.7Å; F56-K101 HydrophobicContact CE2-CD 3.98Å; F56-K101 HydrophobicContact CE2-CG 3.4Å; F56-K101 VanDerWaalsContact CE2-CG 3.4Å; F56-K101 HydrophobicContact CZ-CB 3.64Å; F56-K101 HydrophobicContact CZ-CD 3.27Å; F56-K101 HydrophobicContact CZ-CG 3.25Å
57	T	87.3	Confident	90.1	Very high	46 Å²	46	49 Å²	49	28%	0.282	24%	0.235	S	C	.	.	H	α-helix	trans	-58.3	-41	173.7	-58.2	0	0	0	0	111	M1 L53 H54 L59 S60 E61	M1-T57 HydrophobicContact SD-CG2 4.13Å; L53-T57 PolarHBondContact O-N 2.96Å; L53-T57 PolarHBondContact O-OG1 3.08Å; H54-T57 PolarHBondContact O-N 3.03Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3Å; T57-S60 PolarHBondContact O-N 3.24Å; T57-E61 PolarHBondContact O-N 3.11Å
58	K	91.4	Very high	90	Very high	101 Å²	101	43.9 Å²	43.9	44%	0.439	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-36.7	176.6	-171.2	54.6	53.7	-173	0	112.5	H54 G55 F56 E61 T62 W65	H54-K58 WeakPolarHBondContact O-CB 3.35Å; H54-K58 PolarHBondContact O-N 3.4Å; G55-K58 PolarHBondContact O-N 3.37Å; F56-K58 PolarHBondContact O-N 2.96Å; K58-E61 IonicContact NZ-OE1 3.99Å; K58-E61 IonicContact NZ-OE2 3.67Å; K58-E61 PolarHBondContact NZ-OE2 2.9Å; K58-E61 PolarHBondContact O-N 3.4Å; K58-T62 WeakPolarHBondContact O-CB 3.47Å; K58-T62 PolarHBondContact O-N 3.14Å; K58-T62 PolarHBondContact O-OG1 3.48Å; K58-W65 HydrophobicContact CD-CH2 4.38Å
59	L	90.9	Very high	90.2	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-48.7	173.5	167.2	65.2	0	0	0	111	W3 M34 G55 F56 T57 E61 T62 L63 I76	W3-L59 HydrophobicContact CH2-CD2 3.79Å; W3-L59 HydrophobicContact CZ3-CD2 3.51Å; W3-L59 HydrophobicContact CZ3-CG 4.11Å; M34-L59 HydrophobicContact CE-CD2 4.15Å; M34-L59 HydrophobicContact SD-CB 3.95Å; M34-L59 HydrophobicContact SD-CD1 3.79Å; M34-L59 HydrophobicContact SD-CD2 3.78Å; M34-L59 HydrophobicContact SD-CG 4.05Å; G55-L59 PolarHBondContact O-N 3.12Å; F56-L59 WeakPolarHBondContact O-CB 3.45Å; F56-L59 PolarHBondContact O-N 2.99Å; F56-L59 VanDerWaalsContact O-N 3.12Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 3.17Å; L59-T62 WeakPolarHBondContact O-CB 3.38Å; L59-T62 PolarHBondContact O-N 2.99Å; L59-L63 HydrophobicContact CD1-CD1 4Å; L59-L63 HydrophobicContact CD1-CD2 4.23Å; L59-L63 HydrophobicContact CD1-CG 3.87Å; L59-L63 HydrophobicContact CG-CD1 4.15Å; L59-L63 HydrophobicContact CG-CG 4.4Å; L59-L63 WeakPolarHBondContact O-CG 3.25Å; L59-L63 PolarHBondContact O-N 3.02Å; L59-I76 HydrophobicContact CD1-CB 4.41Å; L59-I76 HydrophobicContact CD1-CD1 3.97Å; L59-I76 HydrophobicContact CD1-CG2 3.49Å; L59-I76 VanDerWaalsContact CD1-CG2 3.49Å; L59-I76 HydrophobicContact CD2-CD1 3.46Å; L59-I76 VanDerWaalsContact CD2-CD1 3.46Å; L59-I76 HydrophobicContact CG-CD1 4.31Å
60	S	88.1	Confident	90.4	Very high	14 Å²	14	41.3 Å²	41.3	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-56.8	-45	177.8	-57.6	0	0	0	0	112.1	F56 T57 T62 L63 Q64	F56-S60 PolarHBondContact O-N 3.19Å; F56-S60 VanDerWaalsContact O-N 3.1Å; F56-S60 PolarHBondContact O-OG 3.12Å; T57-S60 PolarHBondContact O-N 3.24Å; S60-T62 PolarHBondContact O-N 3.46Å; S60-L63 PolarHBondContact O-N 3.4Å; S60-Q64 PolarHBondContact O-N 3.18Å; S60-Q64 VanDerWaalsContact O-N 3.13Å
61	E	90.9	Very high	90.6	Very high	53 Å²	53	39.5 Å²	39.5	25%	0.248	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-43.3	174.1	-69.1	175.1	-162	0	0	112.3	T57 K58 L59 L63 Q64 W65	T57-E61 PolarHBondContact O-N 3.11Å; K58-E61 IonicContact NZ-OE1 3.99Å; K58-E61 IonicContact NZ-OE2 3.67Å; K58-E61 PolarHBondContact NZ-OE2 2.9Å; K58-E61 PolarHBondContact O-N 3.4Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 3.17Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.17Å; E61-Q64 WeakPolarHBondContact O-CB 3.5Å; E61-Q64 PolarHBondContact O-N 3.4Å; E61-W65 HydrophobicContact CB-CZ2 4.21Å; E61-W65 VanDerWaalsContact O-CG 3.27Å; E61-W65 PolarHBondContact O-N 3.15Å
62	T	93	Very high	90.8	Very high	22 Å²	22	44.5 Å²	44.5	14%	0.135	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-38.8	-179.1	-56.9	0	0	0	0	111.7	F32 K58 L59 S60 Q64 W65 C66	F32-T62 HydrophobicContact CE1-CG2 4Å; F32-T62 HydrophobicContact CE2-CG2 3.93Å; F32-T62 HydrophobicContact CZ-CG2 3.63Å; K58-T62 WeakPolarHBondContact O-CB 3.47Å; K58-T62 PolarHBondContact O-N 3.14Å; K58-T62 PolarHBondContact O-OG1 3.48Å; L59-T62 WeakPolarHBondContact O-CB 3.38Å; L59-T62 PolarHBondContact O-N 2.99Å; S60-T62 PolarHBondContact O-N 3.46Å; T62-Q64 VanDerWaalsContact C-N 3.33Å; T62-W65 WeakPolarHBondContact O-CB 3.21Å; T62-W65 PolarHBondContact O-N 3.4Å; T62-C66 PolarHBondContact O-N 2.92Å; T62-C66 PolarHBondContact O-SG 3.21Å
63	L	91.8	Very high	91.2	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-38.7	175.3	-68.2	176.9	0	0	0	111.4	W3 L59 S60 E61 C66 R67 V74 L151	W3-L63 HydrophobicContact CE3-CD1 3.9Å; W3-L63 HydrophobicContact CZ3-CD1 4.04Å; L59-L63 HydrophobicContact CD1-CD1 4Å; L59-L63 HydrophobicContact CD1-CD2 4.23Å; L59-L63 HydrophobicContact CD1-CG 3.87Å; L59-L63 HydrophobicContact CG-CD1 4.15Å; L59-L63 HydrophobicContact CG-CG 4.4Å; L59-L63 WeakPolarHBondContact O-CG 3.25Å; L59-L63 PolarHBondContact O-N 3.02Å; S60-L63 PolarHBondContact O-N 3.4Å; E61-L63 VanDerWaalsContact C-N 3.35Å; E61-L63 PolarHBondContact O-N 3.17Å; L63-C66 PolarHBondContact O-N 3.47Å; L63-R67 PolarHBondContact O-N 2.84Å; L63-V74 HydrophobicContact CD2-CB 3.79Å; L63-V74 HydrophobicContact CD2-CG1 3.6Å; L63-V74 HydrophobicContact CD2-CG2 4.04Å; L63-L151 HydrophobicContact CD1-CD1 4.15Å; L63-L151 HydrophobicContact CD1-CD2 3.89Å; L63-L151 HydrophobicContact CD2-CD1 3.75Å
64	Q	89.2	Confident	91.7	Very high	22 Å²	22	42.2 Å²	42.2	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-44	172.6	-173.9	63.9	51.1	0	0	111.4	T4 S6 V8 S60 E61 T62 C66 R67 D68	T4-Q64 PolarHBondContact O-OE1 3.3Å; T4-Q64 VanDerWaalsContact O-OE1 3.08Å; S6-Q64 WeakPolarHBondContact OG-CB 3.43Å; V8-Q64 HydrophobicContact CB-CG 4.46Å; V8-Q64 HydrophobicContact CG2-CB 4.07Å; V8-Q64 HydrophobicContact CG2-CG 3.91Å; S60-Q64 PolarHBondContact O-N 3.18Å; S60-Q64 VanDerWaalsContact O-N 3.13Å; E61-Q64 WeakPolarHBondContact O-CB 3.5Å; E61-Q64 PolarHBondContact O-N 3.4Å; T62-Q64 VanDerWaalsContact C-N 3.33Å; Q64-C66 VanDerWaalsContact C-N 3.31Å; Q64-C66 PolarHBondContact O-N 3.49Å; Q64-R67 PolarHBondContact O-N 3.07Å; Q64-D68 PolarHBondContact NE2-OD1 2.97Å; Q64-D68 WeakPolarHBondContact O-CB 3.04Å; Q64-D68 PolarHBondContact O-N 3.21Å
65	W	92.2	Very high	92.1	Very high	92 Å²	92	38.7 Å²	38.7	35%	0.348	20%	0.199	S	C	.	.	H	α-helix	trans	-59.2	-43.6	175.2	-60.2	-17.4	0	0	0	111.9	Y10 K58 E61 T62 R67 D68 I69	Y10-W65 AromaticContact CE1-CD1 3.92Å; Y10-W65 AromaticContact CZ-CD1 3.98Å; Y10-W65 VanDerWaalsContact OH-CD1 3.24Å; K58-W65 HydrophobicContact CD-CH2 4.38Å; E61-W65 HydrophobicContact CB-CZ2 4.21Å; E61-W65 VanDerWaalsContact O-CG 3.27Å; E61-W65 PolarHBondContact O-N 3.15Å; T62-W65 WeakPolarHBondContact O-CB 3.21Å; T62-W65 PolarHBondContact O-N 3.4Å; W65-R67 VanDerWaalsContact C-N 3.35Å; W65-R67 PolarHBondContact O-N 2.93Å; W65-D68 PolarHBondContact O-N 2.97Å; W65-I69 WeakPolarHBondContact O-CB 3.35Å; W65-I69 VanDerWaalsContact O-CG1 3.23Å; W65-I69 WeakPolarHBondContact O-CG1 3.35Å; W65-I69 PolarHBondContact O-N 3Å
66	C	93.5	Very high	92.3	Very high	7 Å²	7	38 Å²	38	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-47.6	177.4	-68.6	0	0	0	0	111	T62 L63 Q64 D68 I69 G70 I71 V74	T62-C66 PolarHBondContact O-N 2.92Å; T62-C66 PolarHBondContact O-SG 3.21Å; L63-C66 PolarHBondContact O-N 3.47Å; Q64-C66 VanDerWaalsContact C-N 3.31Å; Q64-C66 PolarHBondContact O-N 3.49Å; C66-D68 PolarHBondContact O-N 3.37Å; C66-I69 PolarHBondContact O-N 3.47Å; C66-G70 PolarHBondContact O-N 2.91Å; C66-I71 HydrophobicContact CB-CB 4Å; C66-I71 HydrophobicContact CB-CD1 4.04Å; C66-I71 HydrophobicContact CB-CG2 4.39Å; C66-I71 WeakPolarHBondContact O-CB 3.47Å; C66-I71 PolarHBondContact O-N 3.44Å; C66-V74 HydrophobicContact CB-CG2 3.81Å
67	R	89.3	Confident	92.7	Very high	64 Å²	64	39.7 Å²	39.7	24%	0.242	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-45.1	175.9	-170.3	-171.9	-58.8	155.9	12.3	111.8	T4 L63 Q64 W65 I69 G70 D115	T4-R67 PolarHBondContact O-NH1 3.01Å; T4-R67 PolarHBondContact O-NH2 3.04Å; T4-R67 VanDerWaalsContact O-NH2 3.11Å; L63-R67 PolarHBondContact O-N 2.84Å; Q64-R67 PolarHBondContact O-N 3.07Å; W65-R67 VanDerWaalsContact C-N 3.35Å; W65-R67 PolarHBondContact O-N 2.93Å; R67-I69 VanDerWaalsContact C-N 3.27Å; R67-I69 PolarHBondContact O-N 3.39Å; R67-G70 PolarHBondContact O-N 3.3Å; R67-D115 IonicContact CZ-OD2 2.72Å; R67-D115 IonicContact NH1-OD2 2.65Å; R67-D115 PolarHBondContact NH1-OD2 3.06Å; R67-D115 IonicContact NH2-OD2 3.11Å
68	D	89.9	Confident	92.9	Very high	48 Å²	48	40 Å²	40	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-66.6	-31	-178.5	-70.8	-17.8	0	0	0	112	Y10 K22 Q64 W65 C66	Y10-D68 HydrophobicContact CE2-CB 4.43Å; Y10-D68 WeakPolarHBondContact CE2-OD2 3.35Å; Y10-D68 VanDerWaalsContact CZ-OD2 3.26Å; Y10-D68 WeakPolarHBondContact OH-CB 3.38Å; Y10-D68 PolarHBondContact OH-OD2 3.32Å; K22-D68 WeakPolarHBondContact CE-O 3.31Å; K22-D68 PolarHBondContact NZ-O 2.69Å; Q64-D68 PolarHBondContact NE2-OD1 2.97Å; Q64-D68 WeakPolarHBondContact O-CB 3.04Å; Q64-D68 PolarHBondContact O-N 3.21Å; W65-D68 PolarHBondContact O-N 2.97Å; C66-D68 PolarHBondContact O-N 3.37Å
69	I	92.2	Very high	93	Very high	40 Å²	40	35.6 Å²	35.6	21%	0.205	18%	0.182	C	C	.	.	H	α-helix	trans	-73.7	-31.3	173.1	-67.9	169.5	0	0	0	110.9	L18 I21 K22 I26 W65 C66 R67 I71	L18-I69 HydrophobicContact CD2-CD1 4.2Å; L18-I69 HydrophobicContact CD2-CG1 3.51Å; I21-I69 HydrophobicContact CD1-CD1 4.15Å; I21-I69 HydrophobicContact CD1-CG1 4.04Å; I21-I69 HydrophobicContact CD1-CG2 4.2Å; K22-I69 WeakPolarHBondContact CE-O 3.29Å; I26-I69 WeakPolarHBondContact CD1-O 3.42Å; I26-I69 HydrophobicContact CG2-CG2 4.18Å; W65-I69 WeakPolarHBondContact O-CB 3.35Å; W65-I69 VanDerWaalsContact O-CG1 3.23Å; W65-I69 WeakPolarHBondContact O-CG1 3.35Å; W65-I69 PolarHBondContact O-N 3Å; C66-I69 PolarHBondContact O-N 3.47Å; R67-I69 VanDerWaalsContact C-N 3.27Å; R67-I69 PolarHBondContact O-N 3.39Å; I69-I71 HydrophobicContact CG2-CD1 4.48Å; I69-I71 HydrophobicContact CG2-CG1 4.31Å
70	G	92.3	Very high	93.2	Very high	37 Å²	37	35.7 Å²	35.7	38%	0.381	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.8	21	-176.7	0	0	0	0	0	113.9	C66 R67	C66-G70 PolarHBondContact O-N 2.91Å; R67-G70 PolarHBondContact O-N 3.3Å
71	I	95.4	Very high	93.5	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.087	19%	0.186	C	C	.	.			trans	-74.4	124.5	172.9	-62.1	168.7	0	0	0	108.2	I26 P27 V30 C66 I69 E73 V74	I26-I71 HydrophobicContact CG2-CG1 4.14Å; P27-I71 HydrophobicContact CG-CD1 4.26Å; P27-I71 HydrophobicContact CG-CG1 4.22Å; P27-I71 WeakPolarHBondContact O-CG1 3.44Å; V30-I71 HydrophobicContact CB-CG2 4.47Å; V30-I71 HydrophobicContact CG2-CD1 3.7Å; V30-I71 HydrophobicContact CG2-CG1 4.4Å; V30-I71 HydrophobicContact CG2-CG2 4.14Å; C66-I71 HydrophobicContact CB-CB 4Å; C66-I71 HydrophobicContact CB-CD1 4.04Å; C66-I71 HydrophobicContact CB-CG2 4.39Å; C66-I71 WeakPolarHBondContact O-CB 3.47Å; C66-I71 PolarHBondContact O-N 3.44Å; I69-I71 HydrophobicContact CG2-CD1 4.48Å; I69-I71 HydrophobicContact CG2-CG1 4.31Å; I71-E73 VanDerWaalsContact CG2-O 3.28Å; I71-E73 WeakPolarHBondContact CG2-O 3.38Å; I71-V74 HydrophobicContact CG2-CG2 4.16Å
72	E	94.9	Very high	93.6	Very high	106 Å²	106	38.4 Å²	38.4	50%	0.495	20%	0.198	S	C	.	.			trans	-84.5	-34	-173.3	-64.4	170	-165.1	0	0	112.2	K28 S149 I150	K28-E72 PolarHBondContact O-N 3.43Å; E72-S149 CarbonylContact O-C 3.42Å; E72-S149 VanDerWaalsContact O-CA 3.23Å; E72-S149 WeakPolarHBondContact O-CA 3.41Å; E72-I150 PolarHBondContact O-N 2.82Å
73	E	97.7	Very high	93.6	Very high	46 Å²	46	38.9 Å²	38.9	22%	0.215	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.3	-176.1	-174.4	162.9	-162.4	0	0	111.7	K28 H29 V30 I71 R120 I150 N152	K28-E73 PolarHBondContact O-N 3.18Å; H29-E73 VanDerWaalsContact CA-O 3.27Å; H29-E73 WeakPolarHBondContact CA-O 3.43Å; H29-E73 HydrophobicContact CB-CB 4.13Å; H29-E73 PolarHBondContact CD2-O 2.91Å; V30-E73 PolarHBondContact N-O 3.09Å; V30-E73 VanDerWaalsContact N-O 3.07Å; I71-E73 VanDerWaalsContact CG2-O 3.28Å; I71-E73 WeakPolarHBondContact CG2-O 3.38Å; E73-R120 IonicContact OE1-NH1 2.82Å; E73-I150 CarbonylContact C-O 3.55Å; E73-I150 WeakPolarHBondContact CA-O 3.2Å; E73-I150 HydrophobicContact CB-CB 4.22Å; E73-I150 HydrophobicContact CG-CB 3.87Å; E73-I150 HydrophobicContact CG-CG2 4Å; E73-N152 PolarHBondContact OE1-ND2 3.25Å
74	V	97.7	Very high	93.7	Very high	8 Å²	8	41 Å²	41	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.4	174.1	-178.4	0	0	0	0	109.8	V30 F32 L63 C66 I71 I76 I150 L151 N152	V30-V74 CarbonylContact O-C 3.57Å; V30-V74 VanDerWaalsContact O-CA 3.29Å; V30-V74 WeakPolarHBondContact O-CA 3.14Å; F32-V74 HydrophobicContact CD2-CG1 3.7Å; F32-V74 HydrophobicContact CE2-CG1 3.79Å; L63-V74 HydrophobicContact CD2-CB 3.79Å; L63-V74 HydrophobicContact CD2-CG1 3.6Å; L63-V74 HydrophobicContact CD2-CG2 4.04Å; C66-V74 HydrophobicContact CB-CG2 3.81Å; I71-V74 HydrophobicContact CG2-CG2 4.16Å; V74-I76 HydrophobicContact CG1-CG2 4.07Å; V74-I150 PolarHBondContact N-O 2.89Å; V74-L151 HydrophobicContact CB-CD1 4.3Å; V74-L151 HydrophobicContact CG1-CD1 4.42Å; V74-L151 WeakPolarHBondContact O-CA 3.49Å; V74-N152 PolarHBondContact O-N 2.84Å
75	S	98.1	Very high	93.9	Very high	17 Å²	17	46.7 Å²	46.7	12%	0.119	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.5	171.2	-59.9	0	0	0	0	111.2	H29 V30 A31 F32 N152	H29-S75 PolarHBondContact CE1-OG 2.87Å; H29-S75 WeakPolarHBondContact NE2-CB 3.46Å; H29-S75 PolarHBondContact NE2-OG 2.96Å; V30-S75 PolarHBondContact O-N 2.8Å; A31-S75 CarbonylContact C-O 3.45Å; A31-S75 WeakPolarHBondContact CA-O 3.43Å; F32-S75 PolarHBondContact N-O 2.86Å; S75-N152 CarbonylContact C-O 3.56Å; S75-N152 WeakPolarHBondContact CA-O 3.47Å; S75-N152 WeakPolarHBondContact OG-CB 3.34Å; S75-N152 PolarHBondContact OG-ND2 2.78Å
76	I	96.9	Very high	93.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.9	-176.9	56.4	169.5	0	0	0	110.6	F32 M34 L59 V74 T78 L151 N152 I153 C154	F32-I76 HydrophobicContact CB-CG2 4.3Å; F32-I76 HydrophobicContact CD2-CG2 4.44Å; M34-I76 HydrophobicContact CE-CB 4.21Å; M34-I76 HydrophobicContact CE-CD1 4.3Å; M34-I76 HydrophobicContact SD-CB 4.2Å; M34-I76 HydrophobicContact SD-CG2 4.29Å; L59-I76 HydrophobicContact CD1-CB 4.41Å; L59-I76 HydrophobicContact CD1-CD1 3.97Å; L59-I76 HydrophobicContact CD1-CG2 3.49Å; L59-I76 VanDerWaalsContact CD1-CG2 3.49Å; L59-I76 HydrophobicContact CD2-CD1 3.46Å; L59-I76 VanDerWaalsContact CD2-CD1 3.46Å; L59-I76 HydrophobicContact CG-CD1 4.31Å; V74-I76 HydrophobicContact CG1-CG2 4.07Å; I76-T78 HydrophobicContact CD1-CG2 3.77Å; I76-T78 HydrophobicContact CG1-CG2 3.95Å; I76-T78 PolarHBondContact O-N 3.1Å; I76-L151 HydrophobicContact CD1-CD1 4.23Å; I76-L151 HydrophobicContact CG1-CD1 4.21Å; I76-N152 WeakPolarHBondContact CG1-O 3.45Å; I76-N152 PolarHBondContact N-O 3.5Å; I76-I153 HydrophobicContact CD1-CG1 4.19Å; I76-I153 HydrophobicContact CD1-CG2 4.25Å; I76-I153 HydrophobicContact CG1-CB 4.45Å; I76-I153 HydrophobicContact CG1-CG1 4.36Å; I76-I153 HydrophobicContact CG1-CG2 4.38Å; I76-C154 WeakPolarHBondContact O-CB 3.44Å; I76-C154 PolarHBondContact O-N 3.47Å
77	F	94.9	Very high	93.9	Very high	65 Å²	65	48.3 Å²	48.3	29%	0.285	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104.7	174.1	-165.7	-168.6	0	0	0	110.1	F32 I33 C154 Y157	F32-F77 PolarHBondContact O-N 3.3Å; I33-F77 HydrophobicContact CG1-CD1 4.42Å; I33-F77 HydrophobicContact CG2-CD1 4.39Å; F77-C154 HydrophobicContact CD2-CB 4.14Å; F77-Y157 HydrophobicContact CD2-CD1 4.44Å; F77-Y157 HydrophobicContact CE2-CD1 4.03Å; F77-Y157 WeakPolarHBondContact CE2-O 3.42Å; F77-Y157 HydrophobicContact CZ-CD1 4.39Å; F77-Y157 WeakPolarHBondContact CZ-O 3.43Å
78	T	91.5	Very high	94.1	Very high	52 Å²	52	52.2 Å²	52.2	32%	0.319	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-42.4	-172.9	63.6	0	0	0	0	113.3	M34 I76 I153 C154 M155	M34-T78 HydrophobicContact CE-CG2 3.62Å; I76-T78 HydrophobicContact CD1-CG2 3.77Å; I76-T78 HydrophobicContact CG1-CG2 3.95Å; I76-T78 PolarHBondContact O-N 3.1Å; T78-I153 HydrophobicContact CG2-CG2 3.56Å; T78-C154 PolarHBondContact N-O 3.29Å; T78-C154 PolarHBondContact OG1-O 2.92Å; T78-M155 WeakPolarHBondContact OG1-CG 3.29Å
79	F	93.7	Very high	94.2	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.035	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	116.8	-175.6	-166.1	-92	0	0	0	111	N83 F84 V91 L94 M95 C154 M155 A156 Y157	F79-N83 HydrophobicContact CD1-CB 4.27Å; F79-N83 HydrophobicContact CD2-CB 3.98Å; F79-N83 HydrophobicContact CE1-CB 3.92Å; F79-N83 HydrophobicContact CE2-CB 3.6Å; F79-N83 HydrophobicContact CG-CB 4.3Å; F79-N83 HydrophobicContact CZ-CB 3.56Å; F79-F84 HydrophobicContact CD1-CE2 4.39Å; F79-F84 HydrophobicContact CD1-CZ 4.41Å; F79-F84 AromaticContact CE1-CD1 3.94Å; F79-F84 HydrophobicContact CE1-CD1 3.94Å; F79-F84 AromaticContact CE1-CD2 3.91Å; F79-F84 HydrophobicContact CE1-CD2 3.91Å; F79-F84 AromaticContact CE1-CE1 3.81Å; F79-F84 HydrophobicContact CE1-CE1 3.81Å; F79-F84 AromaticContact CE1-CE2 3.77Å; F79-F84 HydrophobicContact CE1-CE2 3.77Å; F79-F84 AromaticContact CE1-CG 3.99Å; F79-F84 HydrophobicContact CE1-CG 3.99Å; F79-F84 AromaticContact CE1-CZ 3.72Å; F79-F84 HydrophobicContact CE1-CZ 3.72Å; F79-F84 HydrophobicContact CZ-CD1 4.18Å; F79-F84 HydrophobicContact CZ-CE1 4.29Å; F79-F84 HydrophobicContact CZ-CG 4.41Å; F79-V91 HydrophobicContact CZ-CG1 4.26Å; F79-L94 HydrophobicContact CD2-CB 4.34Å; F79-L94 HydrophobicContact CD2-CD1 3.96Å; F79-L94 HydrophobicContact CE2-CB 4.16Å; F79-L94 HydrophobicContact CE2-CD1 3.64Å; F79-M95 HydrophobicContact CD1-CE 3.8Å; F79-M95 HydrophobicContact CD2-CE 4.07Å; F79-M95 HydrophobicContact CE1-CE 3.46Å; F79-M95 VanDerWaalsContact CE1-CE 3.46Å; F79-M95 HydrophobicContact CE2-CE 3.76Å; F79-M95 HydrophobicContact CG-CE 4.09Å; F79-M95 HydrophobicContact CZ-CE 3.45Å; F79-M95 VanDerWaalsContact CZ-CE 3.45Å; F79-C154 PolarHBondContact N-O 3.32Å; F79-M155 CarbonylContact O-C 3.55Å; F79-A156 WeakPolarHBondContact O-CA 3.42Å; F79-A156 PolarHBondContact O-N 2.89Å; F79-Y157 PolarHBondContact O-N 3.47Å
80	S	94	Very high	94.1	Very high	10 Å²	10	55.8 Å²	55.8	7%	0.07	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	152	175.3	-177.8	0	0	0	0	111.5	D82 N83 Y157	S80-D82 PolarHBondContact O-N 3.24Å; S80-D82 PolarHBondContact OG-N 3.19Å; S80-D82 VanDerWaalsContact OG-N 3.09Å; S80-D82 PolarHBondContact OG-OD2 3.45Å; S80-N83 PolarHBondContact N-OD1 3.33Å; S80-N83 VanDerWaalsContact O-CB 3.31Å; S80-N83 WeakPolarHBondContact O-CB 3.3Å; S80-N83 PolarHBondContact O-N 2.92Å; S80-Y157 VanDerWaalsContact CA-O 3.29Å; S80-Y157 WeakPolarHBondContact CA-O 3.23Å; S80-Y157 PolarHBondContact OG-O 2.91Å
81	I	94.1	Very high	94.1	Very high	31 Å²	31	54.9 Å²	54.9	16%	0.159	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-52.7	-37.6	164	-61.2	-178.9	0	0	0	110.2	N83 F84 N124 L127 A156 Y157 N161	I81-N83 PolarHBondContact O-N 3.21Å; I81-N83 VanDerWaalsContact O-N 3.14Å; I81-F84 WeakPolarHBondContact O-CB 3.47Å; I81-F84 VanDerWaalsContact O-CD2 3.25Å; I81-F84 WeakPolarHBondContact O-CD2 3.12Å; I81-F84 PolarHBondContact O-N 3.42Å; I81-N124 HydrophobicContact CD1-CB 4.37Å; I81-L127 HydrophobicContact CD1-CD1 4.24Å; I81-L127 HydrophobicContact CG1-CD1 4.16Å; I81-L127 HydrophobicContact CG2-CD1 4.1Å; I81-A156 WeakPolarHBondContact CG1-O 3.49Å; I81-Y157 PolarHBondContact N-O 3.07Å; I81-N161 HydrophobicContact CD1-CB 3.7Å
82	D	93.1	Very high	94.1	Very high	94 Å²	94	56.5 Å²	56.5	50%	0.503	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-67.3	-16.5	179.3	-52.1	-47.9	0	0	0	112.9	S80 F84 N85	S80-D82 PolarHBondContact O-N 3.24Å; S80-D82 PolarHBondContact OG-N 3.19Å; S80-D82 VanDerWaalsContact OG-N 3.09Å; S80-D82 PolarHBondContact OG-OD2 3.45Å; D82-F84 PolarHBondContact O-N 3.39Å; D82-N85 WeakPolarHBondContact O-CB 3.21Å; D82-N85 PolarHBondContact O-N 2.96Å; D82-N85 PolarHBondContact O-ND2 2.74Å
83	N	92.2	Very high	94	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.171	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-75.9	-12.8	178.4	-60.4	159.6	0	0	0	113	F79 S80 I81 N85 R86 V91	F79-N83 HydrophobicContact CD1-CB 4.27Å; F79-N83 HydrophobicContact CD2-CB 3.98Å; F79-N83 HydrophobicContact CE1-CB 3.92Å; F79-N83 HydrophobicContact CE2-CB 3.6Å; F79-N83 HydrophobicContact CG-CB 4.3Å; F79-N83 HydrophobicContact CZ-CB 3.56Å; S80-N83 PolarHBondContact N-OD1 3.33Å; S80-N83 VanDerWaalsContact O-CB 3.31Å; S80-N83 WeakPolarHBondContact O-CB 3.3Å; S80-N83 PolarHBondContact O-N 2.92Å; I81-N83 PolarHBondContact O-N 3.21Å; I81-N83 VanDerWaalsContact O-N 3.14Å; N83-N85 PolarHBondContact O-N 3.02Å; N83-R86 PolarHBondContact ND2-NH2 3.36Å; N83-R86 WeakPolarHBondContact O-CB 3.39Å; N83-R86 WeakPolarHBondContact O-CG 3.24Å; N83-R86 PolarHBondContact O-N 2.9Å; N83-R86 PolarHBondContact OD1-NH2 2.88Å; N83-V91 WeakPolarHBondContact O-CG2 3.44Å
84	F	93.9	Very high	93.7	Very high	65 Å²	65	53.8 Å²	53.8	29%	0.285	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-63.7	-18.2	167.7	-71.9	-67.5	0	0	0	112.9	F79 I81 D82 R86 V91 M95 L127 L128 A156	F79-F84 HydrophobicContact CD1-CE2 4.39Å; F79-F84 HydrophobicContact CD1-CZ 4.41Å; F79-F84 AromaticContact CE1-CD1 3.94Å; F79-F84 HydrophobicContact CE1-CD1 3.94Å; F79-F84 AromaticContact CE1-CD2 3.91Å; F79-F84 HydrophobicContact CE1-CD2 3.91Å; F79-F84 AromaticContact CE1-CE1 3.81Å; F79-F84 HydrophobicContact CE1-CE1 3.81Å; F79-F84 AromaticContact CE1-CE2 3.77Å; F79-F84 HydrophobicContact CE1-CE2 3.77Å; F79-F84 AromaticContact CE1-CG 3.99Å; F79-F84 HydrophobicContact CE1-CG 3.99Å; F79-F84 AromaticContact CE1-CZ 3.72Å; F79-F84 HydrophobicContact CE1-CZ 3.72Å; F79-F84 HydrophobicContact CZ-CD1 4.18Å; F79-F84 HydrophobicContact CZ-CE1 4.29Å; F79-F84 HydrophobicContact CZ-CG 4.41Å; I81-F84 WeakPolarHBondContact O-CB 3.47Å; I81-F84 VanDerWaalsContact O-CD2 3.25Å; I81-F84 WeakPolarHBondContact O-CD2 3.12Å; I81-F84 PolarHBondContact O-N 3.42Å; D82-F84 PolarHBondContact O-N 3.39Å; F84-R86 PolarHBondContact O-N 2.94Å; F84-V91 HydrophobicContact CD1-CG1 4.07Å; F84-V91 HydrophobicContact CE1-CG1 4.4Å; F84-M95 HydrophobicContact CE1-CE 3.93Å; F84-M95 HydrophobicContact CZ-CE 4.23Å; F84-L127 HydrophobicContact CE2-CB 3.76Å; F84-L127 HydrophobicContact CE2-CD1 4.15Å; F84-L127 HydrophobicContact CZ-CB 3.89Å; F84-L127 WeakPolarHBondContact CZ-O 3.36Å; F84-L128 HydrophobicContact CZ-CD2 4.23Å; F84-A156 HydrophobicContact CE2-CB 3.89Å; F84-A156 HydrophobicContact CZ-CB 4.24Å
85	N	94.3	Very high	93.7	Very high	141 Å²	141	54 Å²	54	75%	0.754	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-79.9	0.9	175.5	-61.1	-45.9	0	0	0	114	D82 N83	D82-N85 WeakPolarHBondContact O-CB 3.21Å; D82-N85 PolarHBondContact O-N 2.96Å; D82-N85 PolarHBondContact O-ND2 2.74Å; N83-N85 PolarHBondContact O-N 3.02Å
86	R	92.3	Very high	93.5	Very high	71 Å²	71	57.6 Å²	57.6	27%	0.268	29%	0.294	S	S	.	.	S	Bend	trans	-77.9	171.8	173.9	-60.4	-170.8	-169.8	168	8.8	110.6	N83 F84 E90 V91	N83-R86 PolarHBondContact ND2-NH2 3.36Å; N83-R86 WeakPolarHBondContact O-CB 3.39Å; N83-R86 WeakPolarHBondContact O-CG 3.24Å; N83-R86 PolarHBondContact O-N 2.9Å; N83-R86 PolarHBondContact OD1-NH2 2.88Å; F84-R86 PolarHBondContact O-N 2.94Å; R86-E90 WeakPolarHBondContact CD-OE1 3.4Å; R86-E90 IonicContact CZ-OE1 3.59Å; R86-E90 IonicContact NE-OE1 3.45Å; R86-E90 IonicContact NH1-OE1 3.59Å; R86-E90 PolarHBondContact NH1-OE1 3.34Å; R86-V91 HydrophobicContact CB-CG2 4.15Å
87	S	92.8	Very high	93.3	Very high	62 Å²	62	58.6 Å²	58.6	43%	0.434	30%	0.3	S	S	.	.			trans	-56.2	142.9	176.9	52.2	0	0	0	0	111.4	E89 E90 V91	S87-E89 WeakPolarHBondContact CB-OE2 3.47Å; S87-E89 PolarHBondContact O-N 2.95Å; S87-E89 VanDerWaalsContact O-N 3.17Å; S87-E90 PolarHBondContact O-N 3.49Å; S87-E90 WeakPolarHBondContact OG-CB 3.37Å; S87-V91 PolarHBondContact O-N 3.27Å
88	H	94	Very high	93.3	Very high	146 Å²	146	56.4 Å²	56.4	68%	0.676	29%	0.293	S	S	*	.	H	α-helix	trans	-55.1	-37.5	-177.7	-177.2	72.2	0	0	0	112.3	E90 V91 S92	H88-E90 PolarHBondContact O-N 2.94Å; H88-V91 PolarHBondContact O-N 3.35Å; H88-S92 WeakPolarHBondContact O-CB 3.36Å; H88-S92 PolarHBondContact O-N 3.41Å
89	E	92.6	Very high	93.5	Very high	138 Å²	138	57 Å²	57	65%	0.645	29%	0.293	S	S	*	.	H	α-helix	trans	-63.2	-40.5	177.8	-59.8	72.3	-157.2	0	0	111.7	S87 F93	S87-E89 WeakPolarHBondContact CB-OE2 3.47Å; S87-E89 PolarHBondContact O-N 2.95Å; S87-E89 VanDerWaalsContact O-N 3.17Å; E89-F93 WeakPolarHBondContact O-CB 3.47Å; E89-F93 PolarHBondContact O-N 2.99Å
90	E	89.5	Confident	93.6	Very high	25 Å²	25	61.7 Å²	61.7	12%	0.117	31%	0.314	C	S	.	.	H	α-helix	trans	-71.7	-43.6	178.7	-174	176.9	153.6	0	0	110.6	R86 S87 H88 F93 L94	R86-E90 WeakPolarHBondContact CD-OE1 3.4Å; R86-E90 IonicContact CZ-OE1 3.59Å; R86-E90 IonicContact NE-OE1 3.45Å; R86-E90 IonicContact NH1-OE1 3.59Å; R86-E90 PolarHBondContact NH1-OE1 3.34Å; S87-E90 PolarHBondContact O-N 3.49Å; S87-E90 WeakPolarHBondContact OG-CB 3.37Å; H88-E90 PolarHBondContact O-N 2.94Å; E90-F93 PolarHBondContact O-N 3.27Å; E90-L94 HydrophobicContact CG-CD1 4.14Å; E90-L94 VanDerWaalsContact O-CG 3.29Å; E90-L94 WeakPolarHBondContact O-CG 3.34Å; E90-L94 PolarHBondContact O-N 3.42Å
91	V	93.7	Very high	93.5	Very high	18 Å²	18	62.3 Å²	62.3	11%	0.109	32%	0.316	C	S	.	.	H	α-helix	trans	-63.1	-46	176.6	177.5	0	0	0	0	110.5	F79 N83 F84 R86 S87 H88 F93 L94 M95	F79-V91 HydrophobicContact CZ-CG1 4.26Å; N83-V91 WeakPolarHBondContact O-CG2 3.44Å; F84-V91 HydrophobicContact CD1-CG1 4.07Å; F84-V91 HydrophobicContact CE1-CG1 4.4Å; R86-V91 HydrophobicContact CB-CG2 4.15Å; S87-V91 PolarHBondContact O-N 3.27Å; H88-V91 PolarHBondContact O-N 3.35Å; V91-F93 PolarHBondContact O-N 3.49Å; V91-L94 PolarHBondContact O-N 2.94Å; V91-M95 HydrophobicContact CG1-CE 4.31Å; V91-M95 HydrophobicContact CG1-CG 4.34Å; V91-M95 VanDerWaalsContact O-CG 3.3Å; V91-M95 WeakPolarHBondContact O-CG 3.34Å; V91-M95 PolarHBondContact O-N 3.39Å
92	S	94.8	Very high	93.6	Very high	50 Å²	50	61.2 Å²	61.2	35%	0.35	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-45.2	177	-179.6	0	0	0	0	111.6	H88 L94 M95 N96	H88-S92 WeakPolarHBondContact O-CB 3.36Å; H88-S92 PolarHBondContact O-N 3.41Å; S92-L94 PolarHBondContact O-N 3.46Å; S92-M95 PolarHBondContact O-N 3.45Å; S92-N96 WeakPolarHBondContact O-CB 3.35Å; S92-N96 VanDerWaalsContact O-CG 3.23Å; S92-N96 PolarHBondContact O-N 3.01Å; S92-N96 PolarHBondContact O-ND2 2.76Å
93	F	92.3	Very high	93.8	Very high	73 Å²	73	59.7 Å²	59.7	32%	0.32	30%	0.3	S	S	.	.	H	α-helix	trans	-58.2	-46.2	174.4	176	-94.1	0	0	0	112.3	S49 H52 E89 E90 V91 M95 N96 L97	S49-F93 VanDerWaalsContact CB-CE2 3.48Å; H52-F93 HydrophobicContact CB-CE1 4.12Å; E89-F93 WeakPolarHBondContact O-CB 3.47Å; E89-F93 PolarHBondContact O-N 2.99Å; E90-F93 PolarHBondContact O-N 3.27Å; V91-F93 PolarHBondContact O-N 3.49Å; F93-M95 VanDerWaalsContact C-N 3.35Å; F93-M95 PolarHBondContact O-N 3.1Å; F93-N96 PolarHBondContact O-N 3.41Å; F93-L97 HydrophobicContact CE1-CD2 4.25Å; F93-L97 WeakPolarHBondContact O-CB 3.26Å; F93-L97 PolarHBondContact O-N 3.26Å
94	L	92.6	Very high	93.9	Very high	22 Å²	22	60.1 Å²	60.1	12%	0.115	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-37.1	179.5	-71.4	169.4	0	0	0	112.5	F79 E90 V91 S92 L97 A98	F79-L94 HydrophobicContact CD2-CB 4.34Å; F79-L94 HydrophobicContact CD2-CD1 3.96Å; F79-L94 HydrophobicContact CE2-CB 4.16Å; F79-L94 HydrophobicContact CE2-CD1 3.64Å; E90-L94 HydrophobicContact CG-CD1 4.14Å; E90-L94 VanDerWaalsContact O-CG 3.29Å; E90-L94 WeakPolarHBondContact O-CG 3.34Å; E90-L94 PolarHBondContact O-N 3.42Å; V91-L94 PolarHBondContact O-N 2.94Å; S92-L94 PolarHBondContact O-N 3.46Å; L94-L97 PolarHBondContact O-N 2.92Å; L94-A98 WeakPolarHBondContact O-CB 3.4Å; L94-A98 PolarHBondContact O-N 3.46Å
95	M	95.8	Very high	93.9	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.059	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-40.4	176	-65.5	-58.1	143.6	0	0	112	F79 F84 V91 S92 F93 L97 A98 E99 L128 P129	F79-M95 HydrophobicContact CD1-CE 3.8Å; F79-M95 HydrophobicContact CD2-CE 4.07Å; F79-M95 HydrophobicContact CE1-CE 3.46Å; F79-M95 VanDerWaalsContact CE1-CE 3.46Å; F79-M95 HydrophobicContact CE2-CE 3.76Å; F79-M95 HydrophobicContact CG-CE 4.09Å; F79-M95 HydrophobicContact CZ-CE 3.45Å; F79-M95 VanDerWaalsContact CZ-CE 3.45Å; F84-M95 HydrophobicContact CE1-CE 3.93Å; F84-M95 HydrophobicContact CZ-CE 4.23Å; V91-M95 HydrophobicContact CG1-CE 4.31Å; V91-M95 HydrophobicContact CG1-CG 4.34Å; V91-M95 VanDerWaalsContact O-CG 3.3Å; V91-M95 WeakPolarHBondContact O-CG 3.34Å; V91-M95 PolarHBondContact O-N 3.39Å; S92-M95 PolarHBondContact O-N 3.45Å; F93-M95 VanDerWaalsContact C-N 3.35Å; F93-M95 PolarHBondContact O-N 3.1Å; M95-L97 VanDerWaalsContact C-N 3.34Å; M95-A98 PolarHBondContact O-N 3.42Å; M95-E99 PolarHBondContact O-N 2.96Å; M95-L128 HydrophobicContact CE-CD2 3.96Å; M95-L128 HydrophobicContact SD-CD2 3.82Å; M95-P129 HydrophobicContact CB-CG 4.01Å; M95-P129 HydrophobicContact CG-CG 3.86Å; M95-P129 VanDerWaalsContact SD-CD 3.52Å; M95-P129 HydrophobicContact SD-CG 4.15Å
96	N	95.5	Very high	93.9	Very high	93 Å²	93	51.3 Å²	51.3	50%	0.497	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-41.2	174.2	-68.2	-17.2	0	0	0	111.3	S92 F93 E99 E100	S92-N96 WeakPolarHBondContact O-CB 3.35Å; S92-N96 VanDerWaalsContact O-CG 3.23Å; S92-N96 PolarHBondContact O-N 3.01Å; S92-N96 PolarHBondContact O-ND2 2.76Å; F93-N96 PolarHBondContact O-N 3.41Å; N96-E99 PolarHBondContact O-N 2.95Å; N96-E100 PolarHBondContact O-N 2.87Å
97	L	92.7	Very high	94.1	Very high	23 Å²	23	53.1 Å²	53.1	12%	0.12	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-43.1	174.4	-176.8	63.2	0	0	0	110.9	H52 F93 L94 M95 E99 E100 K101	H52-L97 HydrophobicContact CB-CD2 4.16Å; F93-L97 HydrophobicContact CE1-CD2 4.25Å; F93-L97 WeakPolarHBondContact O-CB 3.26Å; F93-L97 PolarHBondContact O-N 3.26Å; L94-L97 PolarHBondContact O-N 2.92Å; M95-L97 VanDerWaalsContact C-N 3.34Å; L97-E99 PolarHBondContact O-N 2.91Å; L97-E100 PolarHBondContact O-N 2.87Å; L97-K101 HydrophobicContact CD1-CG 4.1Å; L97-K101 HydrophobicContact CG-CG 4.45Å; L97-K101 WeakPolarHBondContact O-CB 3.17Å; L97-K101 VanDerWaalsContact O-CG 3.23Å; L97-K101 WeakPolarHBondContact O-CG 3.23Å; L97-K101 PolarHBondContact O-N 2.97Å
98	A	94.4	Very high	94.1	Very high	19 Å²	19	52.3 Å²	52.3	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-41.9	176	0	0	0	0	0	112.2	L94 M95 K101 L102 M155	L94-A98 WeakPolarHBondContact O-CB 3.4Å; L94-A98 PolarHBondContact O-N 3.46Å; M95-A98 PolarHBondContact O-N 3.42Å; A98-K101 PolarHBondContact O-N 3.39Å; A98-L102 WeakPolarHBondContact O-CB 3.35Å; A98-L102 VanDerWaalsContact O-CG 3.23Å; A98-L102 WeakPolarHBondContact O-CG 3.44Å; A98-L102 PolarHBondContact O-N 3.07Å; A98-M155 HydrophobicContact CB-CE 3.54Å
99	E	96.3	Very high	94.1	Very high	65 Å²	65	50 Å²	50	30%	0.304	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-52.2	174.1	178	172.6	167.1	0	0	111.5	M95 N96 L97 K101 L102 Q103 K131 V132 L135	M95-E99 PolarHBondContact O-N 2.96Å; N96-E99 PolarHBondContact O-N 2.95Å; L97-E99 PolarHBondContact O-N 2.91Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 2.82Å; E99-L102 PolarHBondContact O-N 3.32Å; E99-Q103 WeakPolarHBondContact O-CB 3.37Å; E99-Q103 PolarHBondContact O-N 3.3Å; E99-K131 HydrophobicContact CG-CG 3.97Å; E99-K131 VanDerWaalsContact OE1-CE 3.26Å; E99-K131 WeakPolarHBondContact OE1-CE 3.37Å; E99-K131 WeakPolarHBondContact OE1-CG 3.23Å; E99-K131 WeakPolarHBondContact OE2-CG 3.44Å; E99-V132 HydrophobicContact CB-CG2 4.23Å; E99-L135 HydrophobicContact CB-CD1 4.4Å; E99-L135 HydrophobicContact CG-CD1 3.68Å; E99-L135 WeakPolarHBondContact O-CD1 3.32Å
100	E	94.9	Very high	94.1	Very high	105 Å²	105	49 Å²	49	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-54.8	-46.9	178.4	-174.6	-163.2	132.1	0	0	111	N96 L97 Q103 E104	N96-E100 PolarHBondContact O-N 2.87Å; L97-E100 PolarHBondContact O-N 2.87Å; E100-Q103 PolarHBondContact O-N 3.37Å; E100-E104 WeakPolarHBondContact O-CB 3.31Å; E100-E104 PolarHBondContact O-N 2.72Å
101	K	93	Very high	94.2	Very high	24 Å²	24	50.5 Å²	50.5	10%	0.104	26%	0.257	C	S	.	.	H	α-helix	trans	-76.9	-31.8	-173.7	-62.7	-47	-169	-163.3	0	114	W3 F56 L97 A98 E99 E104 L105	W3-K101 HydrophobicContact CZ2-CB 4.09Å; F56-K101 HydrophobicContact CD1-CD 4.43Å; F56-K101 HydrophobicContact CD2-CG 4.18Å; F56-K101 HydrophobicContact CE1-CD 3.62Å; F56-K101 HydrophobicContact CE1-CG 4.02Å; F56-K101 HydrophobicContact CE2-CB 3.7Å; F56-K101 HydrophobicContact CE2-CD 3.98Å; F56-K101 HydrophobicContact CE2-CG 3.4Å; F56-K101 VanDerWaalsContact CE2-CG 3.4Å; F56-K101 HydrophobicContact CZ-CB 3.64Å; F56-K101 HydrophobicContact CZ-CD 3.27Å; F56-K101 HydrophobicContact CZ-CG 3.25Å; L97-K101 HydrophobicContact CD1-CG 4.1Å; L97-K101 HydrophobicContact CG-CG 4.45Å; L97-K101 WeakPolarHBondContact O-CB 3.17Å; L97-K101 VanDerWaalsContact O-CG 3.23Å; L97-K101 WeakPolarHBondContact O-CG 3.23Å; L97-K101 PolarHBondContact O-N 2.97Å; A98-K101 PolarHBondContact O-N 3.39Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 2.82Å; K101-E104 VanDerWaalsContact CD-OE2 3.24Å; K101-E104 WeakPolarHBondContact CD-OE2 3.47Å; K101-E104 IonicContact NZ-OE2 2.72Å; K101-E104 PolarHBondContact NZ-OE2 3.48Å; K101-L105 WeakPolarHBondContact O-CG 3.29Å; K101-L105 PolarHBondContact O-N 2.89Å; K101-L105 VanDerWaalsContact O-N 3.11Å
102	L	95.7	Very high	94.1	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-69.6	-39.3	170.3	-70.9	170.1	0	0	0	111.3	A98 E99 L105 L106 V121 V132 L135 A136 L139	A98-L102 WeakPolarHBondContact O-CB 3.35Å; A98-L102 VanDerWaalsContact O-CG 3.23Å; A98-L102 WeakPolarHBondContact O-CG 3.44Å; A98-L102 PolarHBondContact O-N 3.07Å; E99-L102 PolarHBondContact O-N 3.32Å; L102-L105 PolarHBondContact O-N 2.93Å; L102-L106 PolarHBondContact O-N 3.22Å; L102-L106 VanDerWaalsContact O-N 3.07Å; L102-V121 HydrophobicContact CD2-CG2 4.44Å; L102-V132 HydrophobicContact CD1-CG1 3.86Å; L102-L135 HydrophobicContact CB-CB 3.85Å; L102-L135 HydrophobicContact CB-CD1 4.3Å; L102-L135 HydrophobicContact CD1-CB 4.29Å; L102-A136 HydrophobicContact CD1-CB 4.25Å; L102-L139 HydrophobicContact CD2-CD2 3.79Å
103	Q	96.9	Very high	94.1	Very high	63 Å²	63	54.2 Å²	54.2	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-45.3	174.3	-173.8	63.9	68.6	0	0	110.9	E99 E100 L105 L106 D107 L135	E99-Q103 WeakPolarHBondContact O-CB 3.37Å; E99-Q103 PolarHBondContact O-N 3.3Å; E100-Q103 PolarHBondContact O-N 3.37Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 3.04Å; Q103-L106 WeakPolarHBondContact O-CB 3.47Å; Q103-L106 PolarHBondContact O-N 3.28Å; Q103-L106 VanDerWaalsContact O-N 3.08Å; Q103-D107 PolarHBondContact NE2-OD1 3.27Å; Q103-D107 PolarHBondContact O-N 2.83Å; Q103-L135 HydrophobicContact CB-CD1 4.24Å; Q103-L135 HydrophobicContact CB-CD2 4.49Å
104	E	94	Very high	94.1	Very high	41 Å²	41	54.2 Å²	54.2	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-40.9	175.8	-174.9	-177.1	166.2	0	0	112	E100 K101 D107 N108	E100-E104 WeakPolarHBondContact O-CB 3.31Å; E100-E104 PolarHBondContact O-N 2.72Å; K101-E104 VanDerWaalsContact CD-OE2 3.24Å; K101-E104 WeakPolarHBondContact CD-OE2 3.47Å; K101-E104 IonicContact NZ-OE2 2.72Å; K101-E104 PolarHBondContact NZ-OE2 3.48Å; E104-D107 PolarHBondContact O-N 3.41Å; E104-N108 WeakPolarHBondContact O-CB 3.33Å; E104-N108 PolarHBondContact O-N 2.65Å; E104-N108 VanDerWaalsContact O-N 3.09Å; E104-N108 PolarHBondContact O-ND2 3.12Å
105	L	93.5	Very high	93.9	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-40.7	175	-77.3	167	0	0	0	112.4	W3 K101 L102 Q103 N108 K109 L112 I119 L139	W3-L105 HydrophobicContact CB-CD2 3.69Å; W3-L105 HydrophobicContact CD2-CD1 4.22Å; W3-L105 HydrophobicContact CD2-CD2 3.94Å; W3-L105 HydrophobicContact CD2-CG 4.26Å; W3-L105 HydrophobicContact CG-CD2 3.52Å; W3-L105 HydrophobicContact CG-CG 4.08Å; W3-L105 HydrophobicContact CH2-CD1 4.49Å; W3-L105 HydrophobicContact CZ2-CD1 3.81Å; W3-L105 HydrophobicContact CZ2-CG 4.48Å; K101-L105 WeakPolarHBondContact O-CG 3.29Å; K101-L105 PolarHBondContact O-N 2.89Å; K101-L105 VanDerWaalsContact O-N 3.11Å; L102-L105 PolarHBondContact O-N 2.93Å; Q103-L105 VanDerWaalsContact C-N 3.3Å; Q103-L105 PolarHBondContact O-N 3.04Å; L105-N108 CarbonylContact O-C 3.58Å; L105-N108 PolarHBondContact O-N 2.93Å; L105-K109 PolarHBondContact O-N 3.34Å; L105-L112 HydrophobicContact CB-CD1 4.46Å; L105-L112 HydrophobicContact CD2-CD1 4.41Å; L105-L112 HydrophobicContact CD2-CD2 4.17Å; L105-L112 WeakPolarHBondContact O-CD1 3.43Å; L105-I119 HydrophobicContact CD1-CD1 3.99Å; L105-I119 HydrophobicContact CD2-CD1 3.91Å; L105-I119 HydrophobicContact CG-CD1 4.4Å; L105-L139 HydrophobicContact CB-CD1 3.98Å; L105-L139 HydrophobicContact CB-CD2 3.81Å; L105-L139 HydrophobicContact CD1-CD2 3.82Å; L105-L139 HydrophobicContact CG-CD2 4.45Å
106	L	95.3	Very high	93.8	Very high	16 Å²	16	55.6 Å²	55.6	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-41	176.3	-83.8	170.6	0	0	0	112.4	L102 Q103 N108 K109 L135 Q138 L139 V142	L102-L106 PolarHBondContact O-N 3.22Å; L102-L106 VanDerWaalsContact O-N 3.07Å; Q103-L106 WeakPolarHBondContact O-CB 3.47Å; Q103-L106 PolarHBondContact O-N 3.28Å; Q103-L106 VanDerWaalsContact O-N 3.08Å; L106-N108 PolarHBondContact O-N 3.18Å; L106-K109 VanDerWaalsContact O-CB 3.31Å; L106-K109 WeakPolarHBondContact O-CB 3.28Å; L106-K109 WeakPolarHBondContact O-CG 3.45Å; L106-K109 PolarHBondContact O-N 3.44Å; L106-L135 HydrophobicContact CD1-CB 4.24Å; L106-L135 HydrophobicContact CD1-CD2 3.63Å; L106-Q138 HydrophobicContact CD1-CB 3.94Å; L106-Q138 HydrophobicContact CD2-CB 4.11Å; L106-L139 HydrophobicContact CD2-CB 3.98Å; L106-L139 HydrophobicContact CD2-CD1 3.98Å; L106-L139 HydrophobicContact CG-CB 4.04Å; L106-L139 HydrophobicContact CG-CD1 4.07Å; L106-V142 HydrophobicContact CD2-CG2 4.42Å
107	D	96	Very high	93.7	Very high	108 Å²	108	51.8 Å²	51.8	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-64.7	-33	177.7	-64.7	-15.1	0	0	0	110.7	Q103 E104	Q103-D107 PolarHBondContact NE2-OD1 3.27Å; Q103-D107 PolarHBondContact O-N 2.83Å; E104-D107 PolarHBondContact O-N 3.41Å
108	N	92.6	Very high	93.9	Very high	45 Å²	45	50.9 Å²	50.9	24%	0.241	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	24.8	176.5	-63.1	-56.5	0	0	0	114	E104 L105 L106 D110 E111 L112	E104-N108 WeakPolarHBondContact O-CB 3.33Å; E104-N108 PolarHBondContact O-N 2.65Å; E104-N108 VanDerWaalsContact O-N 3.09Å; E104-N108 PolarHBondContact O-ND2 3.12Å; L105-N108 CarbonylContact O-C 3.58Å; L105-N108 PolarHBondContact O-N 2.93Å; L106-N108 PolarHBondContact O-N 3.18Å; N108-D110 PolarHBondContact O-N 3.26Å; N108-D110 VanDerWaalsContact O-N 3.11Å; N108-E111 WeakPolarHBondContact O-CB 3.29Å; N108-E111 PolarHBondContact O-N 3.48Å; N108-L112 PolarHBondContact O-N 3.1Å
109	K	93.4	Very high	94.1	Very high	99 Å²	99	50 Å²	50	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-55.5	-29.7	-178.8	64.9	-173.3	178.5	-172.3	0	114.8	L105 L106 E111 L112 K113 V142	L105-K109 PolarHBondContact O-N 3.34Å; L106-K109 VanDerWaalsContact O-CB 3.31Å; L106-K109 WeakPolarHBondContact O-CB 3.28Å; L106-K109 WeakPolarHBondContact O-CG 3.45Å; L106-K109 PolarHBondContact O-N 3.44Å; K109-E111 VanDerWaalsContact C-N 3.32Å; K109-L112 PolarHBondContact O-N 3.47Å; K109-K113 WeakPolarHBondContact O-CB 3.27Å; K109-K113 PolarHBondContact O-N 3.42Å; K109-V142 HydrophobicContact CB-CG1 3.97Å; K109-V142 HydrophobicContact CD-CG1 4.39Å
110	D	93.6	Very high	94.1	Very high	116 Å²	116	51.8 Å²	51.8	62%	0.62	26%	0.258	S	S	*	.	H	α-helix	trans	-69.7	-32.9	178.8	-68.4	-36.1	0	0	0	111.4	N108 K113 A114	N108-D110 PolarHBondContact O-N 3.26Å; N108-D110 VanDerWaalsContact O-N 3.11Å; D110-K113 PolarHBondContact O-N 3.11Å; D110-A114 WeakPolarHBondContact O-CB 3.28Å; D110-A114 PolarHBondContact O-N 3.34Å
111	E	91.3	Very high	94.3	Very high	57 Å²	57	47.2 Å²	47.2	27%	0.266	24%	0.238	S	C	.	.	H	α-helix	trans	-69.6	-42.6	171.4	-60.2	-171	179.9	0	0	111.3	T2 T4 N108 K109 K113 A114 D115	T2-E111 WeakPolarHBondContact CB-OE2 3.39Å; T2-E111 WeakPolarHBondContact CG2-OE2 3.48Å; T2-E111 PolarHBondContact OG1-OE2 2.74Å; T4-E111 PolarHBondContact OG1-OE2 2.94Å; N108-E111 WeakPolarHBondContact O-CB 3.29Å; N108-E111 PolarHBondContact O-N 3.48Å; K109-E111 VanDerWaalsContact C-N 3.32Å; E111-K113 PolarHBondContact O-N 2.86Å; E111-A114 PolarHBondContact O-N 3.4Å; E111-D115 PolarHBondContact O-N 2.94Å
112	L	92.5	Very high	94.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-38	174.9	-64.4	176	0	0	0	111.6	T4 L105 N108 K109 D116 I117 I119 L139 T143	T4-L112 HydrophobicContact CG2-CD2 3.5Å; T4-L112 HydrophobicContact CG2-CG 4.42Å; L105-L112 HydrophobicContact CB-CD1 4.46Å; L105-L112 HydrophobicContact CD2-CD1 4.41Å; L105-L112 HydrophobicContact CD2-CD2 4.17Å; L105-L112 WeakPolarHBondContact O-CD1 3.43Å; N108-L112 PolarHBondContact O-N 3.1Å; K109-L112 PolarHBondContact O-N 3.47Å; L112-D116 WeakPolarHBondContact O-CA 3.46Å; L112-D116 PolarHBondContact O-N 3.37Å; L112-I117 HydrophobicContact CD2-CB 4.2Å; L112-I117 HydrophobicContact CD2-CD1 4.26Å; L112-I117 HydrophobicContact CD2-CG2 4.36Å; L112-I117 PolarHBondContact O-N 3.45Å; L112-I119 HydrophobicContact CD1-CD1 3.9Å; L112-I119 HydrophobicContact CD2-CD1 3.9Å; L112-L139 HydrophobicContact CD1-CD1 3.83Å; L112-T143 HydrophobicContact CB-CG2 4.39Å; L112-T143 HydrophobicContact CD1-CG2 3.96Å
113	K	93.7	Very high	94.5	Very high	143 Å²	143	49.9 Å²	49.9	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-70.4	-43.5	174.8	-177	-179.4	177.3	-175.4	0	112.2	K109 D110 E111 D115 D116	K109-K113 WeakPolarHBondContact O-CB 3.27Å; K109-K113 PolarHBondContact O-N 3.42Å; D110-K113 PolarHBondContact O-N 3.11Å; E111-K113 PolarHBondContact O-N 2.86Å; K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 PolarHBondContact O-N 3.06Å; K113-D116 PolarHBondContact O-N 2.87Å; K113-D116 VanDerWaalsContact O-N 3.14Å
114	A	92.3	Very high	94.4	Very high	73 Å²	73	49.3 Å²	49.3	60%	0.603	26%	0.258	S	S	*	.	H	α-helix	trans	-61.9	-37.9	179	0	0	0	0	0	112.3	D110 E111	D110-A114 WeakPolarHBondContact O-CB 3.28Å; D110-A114 PolarHBondContact O-N 3.34Å; E111-A114 PolarHBondContact O-N 3.4Å
115	D	89.2	Confident	94.5	Very high	20 Å²	20	49.2 Å²	49.2	11%	0.107	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.6	177.4	-72.1	0.7	0	0	0	113	R5 R67 E111 K113 I117	R5-D115 IonicContact NE-OD1 3.88Å; R5-D115 IonicContact NH2-OD1 3.37Å; R5-D115 PolarHBondContact NH2-OD1 3.46Å; R67-D115 IonicContact CZ-OD2 2.72Å; R67-D115 IonicContact NH1-OD2 2.65Å; R67-D115 PolarHBondContact NH1-OD2 3.06Å; R67-D115 IonicContact NH2-OD2 3.11Å; E111-D115 PolarHBondContact O-N 2.94Å; K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 PolarHBondContact O-N 3.06Å; D115-I117 HydrophobicContact CB-CD1 3.68Å; D115-I117 HydrophobicContact CB-CG1 3.83Å
116	D	93.4	Very high	94.6	Very high	43 Å²	43	52.6 Å²	52.6	23%	0.23	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	53.9	-177	-167	48.6	0	0	0	114.2	L112 K113 H146 S147 K148 S149	L112-D116 WeakPolarHBondContact O-CA 3.46Å; L112-D116 PolarHBondContact O-N 3.37Å; K113-D116 PolarHBondContact O-N 2.87Å; K113-D116 VanDerWaalsContact O-N 3.14Å; D116-H146 WeakPolarHBondContact OD1-CA 3.33Å; D116-H146 WeakPolarHBondContact OD1-CB 3.23Å; D116-H146 IonicContact OD1-CD2 3.74Å; D116-H146 PolarHBondContact OD1-CD2 3.17Å; D116-H146 IonicContact OD1-CG 2.83Å; D116-S147 PolarHBondContact OD2-N 3.31Å; D116-K148 HydrophobicContact CB-CB 3.73Å; D116-K148 HydrophobicContact CB-CD 4.27Å; D116-K148 PolarHBondContact O-N 2.89Å; D116-K148 WeakPolarHBondContact OD2-CB 3.42Å; D116-K148 PolarHBondContact OD2-N 2.9Å; D116-S149 PolarHBondContact O-N 3.34Å
117	I	94	Very high	94.7	Very high	13 Å²	13	55.5 Å²	55.5	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.4	-176.3	-56.8	170.7	0	0	0	111.1	T4 L112 D115 I119 T143 H146 S149	T4-I117 HydrophobicContact CG2-CD1 3.71Å; L112-I117 HydrophobicContact CD2-CB 4.2Å; L112-I117 HydrophobicContact CD2-CD1 4.26Å; L112-I117 HydrophobicContact CD2-CG2 4.36Å; L112-I117 PolarHBondContact O-N 3.45Å; D115-I117 HydrophobicContact CB-CD1 3.68Å; D115-I117 HydrophobicContact CB-CG1 3.83Å; I117-I119 HydrophobicContact CG2-CG1 4.15Å; I117-T143 WeakPolarHBondContact O-CB 3.36Å; I117-H146 VanDerWaalsContact C-CB 3.48Å; I117-H146 PolarHBondContact O-ND1 3.21Å; I117-S149 CarbonylContact C-O 3.52Å; I117-S149 WeakPolarHBondContact CA-O 3.46Å
118	C	96.7	Very high	94.7	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.027	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.5	170.2	-168.9	0	0	0	0	110.2	H146 S149 I150 L151	C118-H146 HydrophobicContact CB-CB 4.13Å; C118-H146 WeakPolarHBondContact CB-O 3.34Å; C118-S149 PolarHBondContact N-O 3.44Å; C118-I150 HydrophobicContact CB-CG1 4.05Å; C118-I150 CarbonylContact O-C 3.51Å; C118-I150 WeakPolarHBondContact O-CA 3.38Å; C118-L151 PolarHBondContact O-N 3.36Å
119	I	97	Very high	94.9	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.6	174.4	-57	-173.5	0	0	0	109.6	L105 L112 I117 L139 T143 L151 I153	L105-I119 HydrophobicContact CD1-CD1 3.99Å; L105-I119 HydrophobicContact CD2-CD1 3.91Å; L105-I119 HydrophobicContact CG-CD1 4.4Å; L112-I119 HydrophobicContact CD1-CD1 3.9Å; L112-I119 HydrophobicContact CD2-CD1 3.9Å; I117-I119 HydrophobicContact CG2-CG1 4.15Å; I119-L139 HydrophobicContact CB-CD2 4.29Å; I119-L139 HydrophobicContact CB-CG 4.22Å; I119-L139 HydrophobicContact CD1-CD1 4.24Å; I119-L139 HydrophobicContact CD1-CD2 3.98Å; I119-L139 HydrophobicContact CD1-CG 4.28Å; I119-L139 HydrophobicContact CG2-CD2 3.83Å; I119-L139 HydrophobicContact CG2-CG 4.23Å; I119-T143 HydrophobicContact CG1-CG2 4.45Å; I119-T143 PolarHBondContact N-OG1 3.07Å; I119-T143 PolarHBondContact O-OG1 3.41Å; I119-L151 WeakPolarHBondContact CA-O 3.33Å; I119-I153 HydrophobicContact CG2-CD1 3.84Å; I119-I153 HydrophobicContact CG2-CG1 4.31Å
120	R	97.8	Very high	95.2	Very high	102 Å²	102	50.2 Å²	50.2	39%	0.385	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.8	174.5	-55.2	-176.6	-171.2	151.8	-1.7	109.1	E73 I122 L151 N152 I153	E73-R120 IonicContact OE1-NH1 2.82Å; R120-I122 HydrophobicContact CB-CG1 4.38Å; R120-L151 PolarHBondContact N-O 2.52Å; R120-N152 WeakPolarHBondContact CD-OD1 3.31Å; R120-N152 CarbonylContact O-C 3.57Å; R120-N152 WeakPolarHBondContact O-CA 3.47Å; R120-I153 PolarHBondContact O-N 3.11Å
121	V	97.6	Very high	95.4	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.5	172.5	-169.6	0	0	0	0	108	L102 L125 A136 M140 I153 M155	L102-V121 HydrophobicContact CD2-CG2 4.44Å; V121-L125 HydrophobicContact CB-CD2 4.45Å; V121-L125 HydrophobicContact CG1-CD2 3.73Å; V121-A136 HydrophobicContact CB-CB 4.08Å; V121-A136 HydrophobicContact CG1-CB 4.26Å; V121-A136 HydrophobicContact CG2-CB 3.8Å; V121-M140 HydrophobicContact CB-CE 4.41Å; V121-M140 HydrophobicContact CB-SD 4.15Å; V121-M140 HydrophobicContact CG2-CG 4.38Å; V121-M140 HydrophobicContact CG2-SD 4.49Å; V121-M140 PolarHBondContact N-SD 3.16Å; V121-I153 CarbonylContact C-O 3.46Å; V121-I153 WeakPolarHBondContact CA-O 3.23Å; V121-M155 HydrophobicContact CG1-CB 4.07Å; V121-M155 HydrophobicContact CG1-CG 4.05Å; V121-M155 HydrophobicContact CG1-SD 3.77Å
122	I	97.2	Very high	95.7	Very high	58 Å²	58	46.5 Å²	46.5	30%	0.297	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.1	-169.3	-53.3	-177.6	0	0	0	109.7	R120 N152 I153 C154 M155 Y157	R120-I122 HydrophobicContact CB-CG1 4.38Å; I122-N152 HydrophobicContact CD1-CB 3.77Å; I122-N152 HydrophobicContact CG1-CB 4.5Å; I122-I153 PolarHBondContact N-O 3.01Å; I122-C154 CarbonylContact O-C 3.56Å; I122-C154 VanDerWaalsContact O-CA 3.24Å; I122-C154 WeakPolarHBondContact O-CA 3.34Å; I122-M155 PolarHBondContact O-N 3.37Å; I122-Y157 HydrophobicContact CG2-CD2 4.24Å; I122-Y157 HydrophobicContact CG2-CE2 4.28Å
123	G	96.5	Very high	95.9	Very high	29 Å²	29	49.6 Å²	49.6	30%	0.299	29%	0.285	S	S	.	.	S	Bend	trans	141.2	-169.3	176.2	0	0	0	0	0	112.1	L125 M155	G123-L125 VanDerWaalsContact C-N 3.29Å; G123-L125 PolarHBondContact O-N 3.41Å; G123-M155 WeakPolarHBondContact CA-O 3.41Å
124	N	95.8	Very high	96.2	Very high	51 Å²	51	45.4 Å²	45.4	27%	0.273	27%	0.273	S	S	.	.			trans	-82.7	78.4	178.3	-170.6	-10.4	0	0	0	110.1	I81 A126 L127 A156	I81-N124 HydrophobicContact CD1-CB 4.37Å; N124-A126 PolarHBondContact O-N 2.91Å; N124-A126 VanDerWaalsContact O-N 3.12Å; N124-A126 PolarHBondContact OD1-N 3.27Å; N124-L127 HydrophobicContact CB-CD1 3.99Å; N124-L127 HydrophobicContact CB-CG 4.18Å; N124-L127 WeakPolarHBondContact O-CB 3.36Å; N124-L127 PolarHBondContact O-N 3.01Å; N124-A156 PolarHBondContact N-O 3.15Å; N124-A156 WeakPolarHBondContact O-CB 3.44Å
125	L	95.7	Very high	96.5	Very high	39 Å²	39	42 Å²	42	20%	0.204	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25.1	-175.4	-54.8	-173.9	0	0	0	112.8	V121 G123 L127 L128 Q133 M140	V121-L125 HydrophobicContact CB-CD2 4.45Å; V121-L125 HydrophobicContact CG1-CD2 3.73Å; G123-L125 VanDerWaalsContact C-N 3.29Å; G123-L125 PolarHBondContact O-N 3.41Å; L125-L127 PolarHBondContact O-N 3.06Å; L125-L127 VanDerWaalsContact O-N 3.14Å; L125-L128 HydrophobicContact CD2-CD1 3.78Å; L125-L128 WeakPolarHBondContact O-CB 3.33Å; L125-L128 PolarHBondContact O-N 3.2Å; L125-Q133 WeakPolarHBondContact O-CG 3.24Å; L125-Q133 PolarHBondContact O-NE2 3.36Å; L125-M140 HydrophobicContact CD1-CE 4.07Å
126	A	95.6	Very high	96.9	Very high	76 Å²	76	41 Å²	41	63%	0.628	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-62.1	-19.9	176.7	0	0	0	0	0	113.3	N124	N124-A126 PolarHBondContact O-N 2.91Å; N124-A126 VanDerWaalsContact O-N 3.12Å; N124-A126 PolarHBondContact OD1-N 3.27Å
127	L	96	Very high	97.1	Very high	77 Å²	77	41.4 Å²	41.4	40%	0.403	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-80.8	-15.1	174.5	-60.9	178.8	0	0	0	113.5	I81 F84 N124 L125 A156	I81-L127 HydrophobicContact CD1-CD1 4.24Å; I81-L127 HydrophobicContact CG1-CD1 4.16Å; I81-L127 HydrophobicContact CG2-CD1 4.1Å; F84-L127 HydrophobicContact CE2-CB 3.76Å; F84-L127 HydrophobicContact CE2-CD1 4.15Å; F84-L127 HydrophobicContact CZ-CB 3.89Å; F84-L127 WeakPolarHBondContact CZ-O 3.36Å; N124-L127 HydrophobicContact CB-CD1 3.99Å; N124-L127 HydrophobicContact CB-CG 4.18Å; N124-L127 WeakPolarHBondContact O-CB 3.36Å; N124-L127 PolarHBondContact O-N 3.01Å; L125-L127 PolarHBondContact O-N 3.06Å; L125-L127 VanDerWaalsContact O-N 3.14Å; L127-A156 HydrophobicContact CB-CB 4.22Å
128	L	97.2	Very high	97.3	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	-82.8	158.4	-179.1	-59.3	172.1	0	0	0	110.7	F84 M95 L125 V132 Q133 M155 A156	F84-L128 HydrophobicContact CZ-CD2 4.23Å; M95-L128 HydrophobicContact CE-CD2 3.96Å; M95-L128 HydrophobicContact SD-CD2 3.82Å; L125-L128 HydrophobicContact CD2-CD1 3.78Å; L125-L128 WeakPolarHBondContact O-CB 3.33Å; L125-L128 PolarHBondContact O-N 3.2Å; L128-V132 HydrophobicContact CB-CB 4.34Å; L128-V132 HydrophobicContact CB-CG1 4.2Å; L128-V132 HydrophobicContact CD1-CG1 3.96Å; L128-Q133 HydrophobicContact CB-CG 4.12Å; L128-Q133 PolarHBondContact O-NE2 3.33Å; L128-M155 HydrophobicContact CD1-CB 4.03Å; L128-M155 HydrophobicContact CD1-CE 4.15Å; L128-M155 HydrophobicContact CD2-CE 4.35Å; L128-A156 HydrophobicContact CD2-CB 3.81Å; L128-A156 HydrophobicContact CG-CB 4.02Å
129	P	97.6	Very high	97.4	Very high	57 Å²	57	45 Å²	45	37%	0.37	27%	0.265	S	S	.	.			trans	-58	145.5	171.4	-25.7	36.1	0	0	0	112.4	M95 K131 V132 Q133	M95-P129 HydrophobicContact CB-CG 4.01Å; M95-P129 HydrophobicContact CG-CG 3.86Å; M95-P129 VanDerWaalsContact SD-CD 3.52Å; M95-P129 HydrophobicContact SD-CG 4.15Å; P129-K131 PolarHBondContact O-N 2.95Å; P129-V132 HydrophobicContact CB-CG2 4.41Å; P129-V132 WeakPolarHBondContact O-CB 3.4Å; P129-V132 PolarHBondContact O-N 3.26Å; P129-Q133 PolarHBondContact O-N 2.99Å
130	A	97.9	Very high	97.4	Very high	78 Å²	78	47.4 Å²	47.4	65%	0.645	28%	0.277	S	S	*	.	H	α-helix	trans	-54.2	-33.9	-174.5	0	0	0	0	0	113.9	Q133 S134	A130-Q133 PolarHBondContact O-N 2.84Å; A130-S134 WeakPolarHBondContact O-CB 3.48Å; A130-S134 PolarHBondContact O-N 2.85Å
131	K	97.6	Very high	97.4	Very high	93 Å²	93	47.5 Å²	47.5	40%	0.404	29%	0.285	S	S	.	.	H	α-helix	trans	-68.1	-44.8	177.8	-175.7	57.7	174.5	180	0	112.3	E99 P129 Q133 S134 L135	E99-K131 HydrophobicContact CG-CG 3.97Å; E99-K131 VanDerWaalsContact OE1-CE 3.26Å; E99-K131 WeakPolarHBondContact OE1-CE 3.37Å; E99-K131 WeakPolarHBondContact OE1-CG 3.23Å; E99-K131 WeakPolarHBondContact OE2-CG 3.44Å; P129-K131 PolarHBondContact O-N 2.95Å; K131-Q133 VanDerWaalsContact C-N 3.34Å; K131-Q133 PolarHBondContact O-N 2.77Å; K131-S134 PolarHBondContact O-N 3.29Å; K131-L135 HydrophobicContact CD-CD1 4.48Å; K131-L135 HydrophobicContact CD-CG 4.49Å; K131-L135 HydrophobicContact CG-CD1 4.41Å; K131-L135 WeakPolarHBondContact O-CG 3.33Å; K131-L135 PolarHBondContact O-N 2.97Å
132	V	97.9	Very high	97.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-44.3	173.3	177.8	0	0	0	0	110.4	E99 L102 L128 P129 S134 L135 A136 M155	E99-V132 HydrophobicContact CB-CG2 4.23Å; L102-V132 HydrophobicContact CD1-CG1 3.86Å; L128-V132 HydrophobicContact CB-CB 4.34Å; L128-V132 HydrophobicContact CB-CG1 4.2Å; L128-V132 HydrophobicContact CD1-CG1 3.96Å; P129-V132 HydrophobicContact CB-CG2 4.41Å; P129-V132 WeakPolarHBondContact O-CB 3.4Å; P129-V132 PolarHBondContact O-N 3.26Å; V132-S134 PolarHBondContact O-N 2.98Å; V132-L135 PolarHBondContact O-N 3.07Å; V132-A136 VanDerWaalsContact O-CB 3.31Å; V132-A136 WeakPolarHBondContact O-CB 3.34Å; V132-A136 PolarHBondContact O-N 3.33Å; V132-M155 HydrophobicContact CG1-CE 3.81Å
133	Q	98.3	Very high	97.4	Very high	68 Å²	68	47.6 Å²	47.6	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-57.2	-48.1	175.4	-64.4	-176.3	42.4	0	0	111.8	L125 L128 P129 A130 K131 A136 A137	L125-Q133 WeakPolarHBondContact O-CG 3.24Å; L125-Q133 PolarHBondContact O-NE2 3.36Å; L128-Q133 HydrophobicContact CB-CG 4.12Å; L128-Q133 PolarHBondContact O-NE2 3.33Å; P129-Q133 PolarHBondContact O-N 2.99Å; A130-Q133 PolarHBondContact O-N 2.84Å; K131-Q133 VanDerWaalsContact C-N 3.34Å; K131-Q133 PolarHBondContact O-N 2.77Å; Q133-A136 PolarHBondContact O-N 2.94Å; Q133-A137 WeakPolarHBondContact O-CB 3.49Å; Q133-A137 PolarHBondContact O-N 3.04Å
134	S	98.4	Very high	97.5	Very high	54 Å²	54	54 Å²	54	38%	0.378	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-44.9	-179.9	-177.2	0	0	0	0	112.3	A130 K131 V132 A137 Q138	A130-S134 WeakPolarHBondContact O-CB 3.48Å; A130-S134 PolarHBondContact O-N 2.85Å; K131-S134 PolarHBondContact O-N 3.29Å; V132-S134 PolarHBondContact O-N 2.98Å; S134-A137 PolarHBondContact O-N 3.47Å; S134-Q138 WeakPolarHBondContact O-CB 3.36Å; S134-Q138 VanDerWaalsContact O-CG 3.29Å; S134-Q138 WeakPolarHBondContact O-CG 3.32Å; S134-Q138 PolarHBondContact O-N 3.31Å; S134-Q138 PolarHBondContact O-NE2 3.06Å; S134-Q138 PolarHBondContact OG-NE2 3.41Å; S134-Q138 VanDerWaalsContact OG-NE2 3.1Å
135	L	98.2	Very high	97.6	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-43.4	178.7	-67	171.7	0	0	0	111.8	E99 L102 Q103 L106 K131 V132 A137 Q138 L139	E99-L135 HydrophobicContact CB-CD1 4.4Å; E99-L135 HydrophobicContact CG-CD1 3.68Å; E99-L135 WeakPolarHBondContact O-CD1 3.32Å; L102-L135 HydrophobicContact CB-CB 3.85Å; L102-L135 HydrophobicContact CB-CD1 4.3Å; L102-L135 HydrophobicContact CD1-CB 4.29Å; Q103-L135 HydrophobicContact CB-CD1 4.24Å; Q103-L135 HydrophobicContact CB-CD2 4.49Å; L106-L135 HydrophobicContact CD1-CB 4.24Å; L106-L135 HydrophobicContact CD1-CD2 3.63Å; K131-L135 HydrophobicContact CD-CD1 4.48Å; K131-L135 HydrophobicContact CD-CG 4.49Å; K131-L135 HydrophobicContact CG-CD1 4.41Å; K131-L135 WeakPolarHBondContact O-CG 3.33Å; K131-L135 PolarHBondContact O-N 2.97Å; V132-L135 PolarHBondContact O-N 3.07Å; L135-A137 VanDerWaalsContact C-N 3.34Å; L135-A137 PolarHBondContact O-N 2.81Å; L135-Q138 PolarHBondContact O-N 2.85Å; L135-L139 VanDerWaalsContact O-CB 3.32Å; L135-L139 WeakPolarHBondContact O-CB 3.5Å; L135-L139 PolarHBondContact O-N 3.08Å
136	A	98.2	Very high	97.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-46	174.7	0	0	0	0	0	111.4	L102 V121 V132 Q133 L139 M140	L102-A136 HydrophobicContact CD1-CB 4.25Å; V121-A136 HydrophobicContact CB-CB 4.08Å; V121-A136 HydrophobicContact CG1-CB 4.26Å; V121-A136 HydrophobicContact CG2-CB 3.8Å; V132-A136 VanDerWaalsContact O-CB 3.31Å; V132-A136 WeakPolarHBondContact O-CB 3.34Å; V132-A136 PolarHBondContact O-N 3.33Å; Q133-A136 PolarHBondContact O-N 2.94Å; A136-L139 PolarHBondContact O-N 3.23Å; A136-M140 WeakPolarHBondContact O-CB 3.35Å; A136-M140 VanDerWaalsContact O-CG 3.28Å; A136-M140 WeakPolarHBondContact O-CG 3.37Å; A136-M140 PolarHBondContact O-N 3.47Å
137	A	98.4	Very high	97.4	Very high	52 Å²	52	58.2 Å²	58.2	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-44.8	178	0	0	0	0	0	112.5	Q133 S134 L135 L141	Q133-A137 WeakPolarHBondContact O-CB 3.49Å; Q133-A137 PolarHBondContact O-N 3.04Å; S134-A137 PolarHBondContact O-N 3.47Å; L135-A137 VanDerWaalsContact C-N 3.34Å; L135-A137 PolarHBondContact O-N 2.81Å; A137-L141 WeakPolarHBondContact O-CB 3.49Å; A137-L141 PolarHBondContact O-N 3.13Å
138	Q	98.2	Very high	97.1	Very high	92 Å²	92	61 Å²	61	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-45.7	176.1	-75	176.9	69.4	0	0	111.5	L106 S134 L135 L141 V142	L106-Q138 HydrophobicContact CD1-CB 3.94Å; L106-Q138 HydrophobicContact CD2-CB 4.11Å; S134-Q138 WeakPolarHBondContact O-CB 3.36Å; S134-Q138 VanDerWaalsContact O-CG 3.29Å; S134-Q138 WeakPolarHBondContact O-CG 3.32Å; S134-Q138 PolarHBondContact O-N 3.31Å; S134-Q138 PolarHBondContact O-NE2 3.06Å; S134-Q138 PolarHBondContact OG-NE2 3.41Å; S134-Q138 VanDerWaalsContact OG-NE2 3.1Å; L135-Q138 PolarHBondContact O-N 2.85Å; Q138-L141 PolarHBondContact O-N 3.4Å; Q138-V142 WeakPolarHBondContact O-CG2 3.43Å; Q138-V142 PolarHBondContact O-N 3.34Å
139	L	97.6	Very high	97	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-49.3	-178.6	-176	60.2	0	0	0	111.1	L102 L105 L106 L112 I119 L135 A136 L141 V142 T143	L102-L139 HydrophobicContact CD2-CD2 3.79Å; L105-L139 HydrophobicContact CB-CD1 3.98Å; L105-L139 HydrophobicContact CB-CD2 3.81Å; L105-L139 HydrophobicContact CD1-CD2 3.82Å; L105-L139 HydrophobicContact CG-CD2 4.45Å; L106-L139 HydrophobicContact CD2-CB 3.98Å; L106-L139 HydrophobicContact CD2-CD1 3.98Å; L106-L139 HydrophobicContact CG-CB 4.04Å; L106-L139 HydrophobicContact CG-CD1 4.07Å; L112-L139 HydrophobicContact CD1-CD1 3.83Å; I119-L139 HydrophobicContact CB-CD2 4.29Å; I119-L139 HydrophobicContact CB-CG 4.22Å; I119-L139 HydrophobicContact CD1-CD1 4.24Å; I119-L139 HydrophobicContact CD1-CD2 3.98Å; I119-L139 HydrophobicContact CD1-CG 4.28Å; I119-L139 HydrophobicContact CG2-CD2 3.83Å; I119-L139 HydrophobicContact CG2-CG 4.23Å; L135-L139 VanDerWaalsContact O-CB 3.32Å; L135-L139 WeakPolarHBondContact O-CB 3.5Å; L135-L139 PolarHBondContact O-N 3.08Å; A136-L139 PolarHBondContact O-N 3.23Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.08Å; L139-V142 PolarHBondContact O-N 3.37Å; L139-T143 HydrophobicContact CD1-CG2 4.23Å; L139-T143 PolarHBondContact O-N 3.29Å; L139-T143 PolarHBondContact O-OG1 3.09Å; L139-T143 VanDerWaalsContact O-OG1 3.06Å
140	M	98.1	Very high	96.9	Very high	53 Å²	53	60.4 Å²	60.4	26%	0.261	33%	0.325	S	S	.	.	H	α-helix	trans	-56.9	-42.5	175.3	-71.9	-170.5	-70.9	0	0	111.6	V121 L125 A136 T143 R144	V121-M140 HydrophobicContact CB-CE 4.41Å; V121-M140 HydrophobicContact CB-SD 4.15Å; V121-M140 HydrophobicContact CG2-CG 4.38Å; V121-M140 HydrophobicContact CG2-SD 4.49Å; V121-M140 PolarHBondContact N-SD 3.16Å; L125-M140 HydrophobicContact CD1-CE 4.07Å; A136-M140 WeakPolarHBondContact O-CB 3.35Å; A136-M140 VanDerWaalsContact O-CG 3.28Å; A136-M140 WeakPolarHBondContact O-CG 3.37Å; A136-M140 PolarHBondContact O-N 3.47Å; M140-T143 PolarHBondContact O-N 3.47Å; M140-R144 WeakPolarHBondContact O-CA 3.43Å; M140-R144 VanDerWaalsContact O-CB 3.31Å; M140-R144 WeakPolarHBondContact O-CB 3.39Å; M140-R144 PolarHBondContact O-N 3.47Å
141	L	98.2	Very high	96.9	Very high	104 Å²	104	57.2 Å²	57.2	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-41.9	178.6	-178	64.8	0	0	0	112.5	A137 Q138 L139 R144	A137-L141 WeakPolarHBondContact O-CB 3.49Å; A137-L141 PolarHBondContact O-N 3.13Å; Q138-L141 PolarHBondContact O-N 3.4Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.08Å; L141-R144 WeakPolarHBondContact O-CG 3.4Å
142	V	97.6	Very high	96.9	Very high	68 Å²	68	53.1 Å²	53.1	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-68.8	-37.1	-180	171	0	0	0	0	111.4	L106 K109 Q138 L139	L106-V142 HydrophobicContact CD2-CG2 4.42Å; K109-V142 HydrophobicContact CB-CG1 3.97Å; K109-V142 HydrophobicContact CD-CG1 4.39Å; Q138-V142 WeakPolarHBondContact O-CG2 3.43Å; Q138-V142 PolarHBondContact O-N 3.34Å; L139-V142 PolarHBondContact O-N 3.37Å
143	T	97.4	Very high	96.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-96.4	-0.4	-176.5	63.7	0	0	0	0	114.9	L112 I117 I119 L139 M140 N145 H146	L112-T143 HydrophobicContact CB-CG2 4.39Å; L112-T143 HydrophobicContact CD1-CG2 3.96Å; I117-T143 WeakPolarHBondContact O-CB 3.36Å; I119-T143 HydrophobicContact CG1-CG2 4.45Å; I119-T143 PolarHBondContact N-OG1 3.07Å; I119-T143 PolarHBondContact O-OG1 3.41Å; L139-T143 HydrophobicContact CD1-CG2 4.23Å; L139-T143 PolarHBondContact O-N 3.29Å; L139-T143 PolarHBondContact O-OG1 3.09Å; L139-T143 VanDerWaalsContact O-OG1 3.06Å; M140-T143 PolarHBondContact O-N 3.47Å; T143-N145 PolarHBondContact O-N 3.23Å; T143-H146 WeakPolarHBondContact O-CB 3.31Å; T143-H146 PolarHBondContact O-N 3.4Å
144	R	97.5	Very high	96.8	Very high	163 Å²	163	51 Å²	51	62%	0.615	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.9	-169.9	69.3	-177.5	175.7	172.3	1.8	115.5	M140 L141	M140-R144 WeakPolarHBondContact O-CA 3.43Å; M140-R144 VanDerWaalsContact O-CB 3.31Å; M140-R144 WeakPolarHBondContact O-CB 3.39Å; M140-R144 PolarHBondContact O-N 3.47Å; L141-R144 WeakPolarHBondContact O-CG 3.4Å
145	N	97.2	Very high	96.7	Very high	130 Å²	130	48.9 Å²	48.9	70%	0.695	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.5	-176	-69.2	-23.2	0	0	0	112.6	T143	T143-N145 PolarHBondContact O-N 3.23Å
146	H	95.3	Very high	96.6	Very high	28 Å²	28	48.8 Å²	48.8	13%	0.13	26%	0.256	C	S	.	.			trans	-76.3	147.4	173.5	-57.5	161	0	0	0	109.8	D116 I117 C118 T143	D116-H146 WeakPolarHBondContact OD1-CA 3.33Å; D116-H146 WeakPolarHBondContact OD1-CB 3.23Å; D116-H146 IonicContact OD1-CD2 3.74Å; D116-H146 PolarHBondContact OD1-CD2 3.17Å; D116-H146 IonicContact OD1-CG 2.83Å; I117-H146 VanDerWaalsContact C-CB 3.48Å; I117-H146 PolarHBondContact O-ND1 3.21Å; C118-H146 HydrophobicContact CB-CB 4.13Å; C118-H146 WeakPolarHBondContact CB-O 3.34Å; T143-H146 WeakPolarHBondContact O-CB 3.31Å; T143-H146 PolarHBondContact O-N 3.4Å
147	S	91.7	Very high	96.6	Very high	98 Å²	98	51 Å²	51	69%	0.685	27%	0.265	S	S	*	.			trans	-140.6	-18.4	-169.8	63.8	0	0	0	0	115.5	D116	D116-S147 PolarHBondContact OD2-N 3.31Å
148	K	91.7	Very high	96.4	Very high	135 Å²	135	50.2 Å²	50.2	59%	0.587	25%	0.253	S	S	*	.	S	Bend	trans	-68.5	-37.3	-176.8	-176.7	-176.4	175.1	-170.9	0	113.4	D116	D116-K148 HydrophobicContact CB-CB 3.73Å; D116-K148 HydrophobicContact CB-CD 4.27Å; D116-K148 PolarHBondContact O-N 2.89Å; D116-K148 WeakPolarHBondContact OD2-CB 3.42Å; D116-K148 PolarHBondContact OD2-N 2.9Å
149	S	93.2	Very high	96.2	Very high	18 Å²	18	49.4 Å²	49.4	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.6	177.3	-60.1	0	0	0	0	111.3	E72 D116 I117 C118	E72-S149 CarbonylContact O-C 3.42Å; E72-S149 VanDerWaalsContact O-CA 3.23Å; E72-S149 WeakPolarHBondContact O-CA 3.41Å; D116-S149 PolarHBondContact O-N 3.34Å; I117-S149 CarbonylContact C-O 3.52Å; I117-S149 WeakPolarHBondContact CA-O 3.46Å; C118-S149 PolarHBondContact N-O 3.44Å
150	I	96.7	Very high	96.1	Very high	32 Å²	32	59 Å²	59	16%	0.164	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.4	-176.7	-59.1	163.8	0	0	0	109.7	E72 E73 V74 C118	E72-I150 PolarHBondContact O-N 2.82Å; E73-I150 CarbonylContact C-O 3.55Å; E73-I150 WeakPolarHBondContact CA-O 3.2Å; E73-I150 HydrophobicContact CB-CB 4.22Å; E73-I150 HydrophobicContact CG-CB 3.87Å; E73-I150 HydrophobicContact CG-CG2 4Å; V74-I150 PolarHBondContact N-O 2.89Å; C118-I150 HydrophobicContact CB-CG1 4.05Å; C118-I150 CarbonylContact O-C 3.51Å; C118-I150 WeakPolarHBondContact O-CA 3.38Å
151	L	96.8	Very high	95.9	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.058	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.7	170	177.8	61.5	0	0	0	109.9	W3 L63 V74 I76 C118 I119 R120 I153	W3-L151 HydrophobicContact CE3-CD2 4.41Å; W3-L151 HydrophobicContact CZ3-CD2 4.08Å; L63-L151 HydrophobicContact CD1-CD1 4.15Å; L63-L151 HydrophobicContact CD1-CD2 3.89Å; L63-L151 HydrophobicContact CD2-CD1 3.75Å; V74-L151 HydrophobicContact CB-CD1 4.3Å; V74-L151 HydrophobicContact CG1-CD1 4.42Å; V74-L151 WeakPolarHBondContact O-CA 3.49Å; I76-L151 HydrophobicContact CD1-CD1 4.23Å; I76-L151 HydrophobicContact CG1-CD1 4.21Å; C118-L151 PolarHBondContact O-N 3.36Å; I119-L151 WeakPolarHBondContact CA-O 3.33Å; R120-L151 PolarHBondContact N-O 2.52Å; L151-I153 HydrophobicContact CD2-CD1 4.2Å; L151-I153 HydrophobicContact CD2-CG1 4.18Å; L151-I153 HydrophobicContact CG-CG1 3.97Å
152	N	97.8	Very high	95.7	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.2	172	-54.3	-49.8	0	0	0	110.1	E73 V74 S75 I76 R120 I122	E73-N152 PolarHBondContact OE1-ND2 3.25Å; V74-N152 PolarHBondContact O-N 2.84Å; S75-N152 CarbonylContact C-O 3.56Å; S75-N152 WeakPolarHBondContact CA-O 3.47Å; S75-N152 WeakPolarHBondContact OG-CB 3.34Å; S75-N152 PolarHBondContact OG-ND2 2.78Å; I76-N152 WeakPolarHBondContact CG1-O 3.45Å; I76-N152 PolarHBondContact N-O 3.5Å; R120-N152 WeakPolarHBondContact CD-OD1 3.31Å; R120-N152 CarbonylContact O-C 3.57Å; R120-N152 WeakPolarHBondContact O-CA 3.47Å; I122-N152 HydrophobicContact CD1-CB 3.77Å; I122-N152 HydrophobicContact CG1-CB 4.5Å
153	I	97	Very high	95.7	Very high	8 Å²	8	59 Å²	59	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.7	179.3	-50.1	-176.7	0	0	0	108.4	I76 T78 I119 R120 V121 I122 L151 M155	I76-I153 HydrophobicContact CD1-CG1 4.19Å; I76-I153 HydrophobicContact CD1-CG2 4.25Å; I76-I153 HydrophobicContact CG1-CB 4.45Å; I76-I153 HydrophobicContact CG1-CG1 4.36Å; I76-I153 HydrophobicContact CG1-CG2 4.38Å; T78-I153 HydrophobicContact CG2-CG2 3.56Å; I119-I153 HydrophobicContact CG2-CD1 3.84Å; I119-I153 HydrophobicContact CG2-CG1 4.31Å; R120-I153 PolarHBondContact O-N 3.11Å; V121-I153 CarbonylContact C-O 3.46Å; V121-I153 WeakPolarHBondContact CA-O 3.23Å; I122-I153 PolarHBondContact N-O 3.01Å; L151-I153 HydrophobicContact CD2-CD1 4.2Å; L151-I153 HydrophobicContact CD2-CG1 4.18Å; L151-I153 HydrophobicContact CG-CG1 3.97Å; I153-M155 HydrophobicContact CG2-CG 3.91Å; I153-M155 HydrophobicContact CG2-SD 4.2Å; I153-M155 PolarHBondContact O-N 2.92Å
154	C	97.4	Very high	95.7	Very high	17 Å²	17	63 Å²	63	12%	0.115	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.3	179.6	-60	0	0	0	0	110.4	I76 F77 T78 F79 I122 Y157	I76-C154 WeakPolarHBondContact O-CB 3.44Å; I76-C154 PolarHBondContact O-N 3.47Å; F77-C154 HydrophobicContact CD2-CB 4.14Å; T78-C154 PolarHBondContact N-O 3.29Å; T78-C154 PolarHBondContact OG1-O 2.92Å; F79-C154 PolarHBondContact N-O 3.32Å; I122-C154 CarbonylContact O-C 3.56Å; I122-C154 VanDerWaalsContact O-CA 3.24Å; I122-C154 WeakPolarHBondContact O-CA 3.34Å; C154-Y157 HydrophobicContact CB-CD1 4.13Å; C154-Y157 HydrophobicContact CB-CD2 4.42Å; C154-Y157 HydrophobicContact CB-CG 3.87Å
155	M	96.7	Very high	95.5	Very high	9 Å²	9	59.3 Å²	59.3	4%	0.044	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.6	-176.3	-70.6	-176.2	75.5	0	0	111.1	T78 F79 A98 V121 I122 G123 L128 V132 I153 Y157	T78-M155 WeakPolarHBondContact OG1-CG 3.29Å; F79-M155 CarbonylContact O-C 3.55Å; A98-M155 HydrophobicContact CB-CE 3.54Å; V121-M155 HydrophobicContact CG1-CB 4.07Å; V121-M155 HydrophobicContact CG1-CG 4.05Å; V121-M155 HydrophobicContact CG1-SD 3.77Å; I122-M155 PolarHBondContact O-N 3.37Å; G123-M155 WeakPolarHBondContact CA-O 3.41Å; L128-M155 HydrophobicContact CD1-CB 4.03Å; L128-M155 HydrophobicContact CD1-CE 4.15Å; L128-M155 HydrophobicContact CD2-CE 4.35Å; V132-M155 HydrophobicContact CG1-CE 3.81Å; I153-M155 HydrophobicContact CG2-CG 3.91Å; I153-M155 HydrophobicContact CG2-SD 4.2Å; I153-M155 PolarHBondContact O-N 2.92Å; M155-Y157 PolarHBondContact O-N 2.65Å
156	A	96.8	Very high	95.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	46.7	45.3	-168.6	0	0	0	0	0	110.5	F79 I81 F84 N124 L127 L128	F79-A156 WeakPolarHBondContact O-CA 3.42Å; F79-A156 PolarHBondContact O-N 2.89Å; I81-A156 WeakPolarHBondContact CG1-O 3.49Å; F84-A156 HydrophobicContact CE2-CB 3.89Å; F84-A156 HydrophobicContact CZ-CB 4.24Å; N124-A156 PolarHBondContact N-O 3.15Å; N124-A156 WeakPolarHBondContact O-CB 3.44Å; L127-A156 HydrophobicContact CB-CB 4.22Å; L128-A156 HydrophobicContact CD2-CB 3.81Å; L128-A156 HydrophobicContact CG-CB 4.02Å
157	Y	97.4	Very high	95.6	Very high	47 Å²	47	60 Å²	60	18%	0.184	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.1	-172	178.5	-91.1	0	0	0	110.7	F77 F79 S80 I81 I122 C154 M155 D162	F77-Y157 HydrophobicContact CD2-CD1 4.44Å; F77-Y157 HydrophobicContact CE2-CD1 4.03Å; F77-Y157 WeakPolarHBondContact CE2-O 3.42Å; F77-Y157 HydrophobicContact CZ-CD1 4.39Å; F77-Y157 WeakPolarHBondContact CZ-O 3.43Å; F79-Y157 PolarHBondContact O-N 3.47Å; S80-Y157 VanDerWaalsContact CA-O 3.29Å; S80-Y157 WeakPolarHBondContact CA-O 3.23Å; S80-Y157 PolarHBondContact OG-O 2.91Å; I81-Y157 PolarHBondContact N-O 3.07Å; I122-Y157 HydrophobicContact CG2-CD2 4.24Å; I122-Y157 HydrophobicContact CG2-CE2 4.28Å; C154-Y157 HydrophobicContact CB-CD1 4.13Å; C154-Y157 HydrophobicContact CB-CD2 4.42Å; C154-Y157 HydrophobicContact CB-CG 3.87Å; M155-Y157 PolarHBondContact O-N 2.65Å; Y157-D162 HydrophobicContact CE2-CB 3.71Å; Y157-D162 PolarHBondContact OH-OD2 3.37Å
158	N	94.2	Very high	95.8	Very high	34 Å²	34	59 Å²	59	18%	0.182	30%	0.302	C	S	.	.			trans	-145.8	151.4	153.7	67.9	32.1	0	0	0	108.5	R160 N161 D162	N158-R160 VanDerWaalsContact C-N 3.27Å; N158-R160 PolarHBondContact O-N 3.06Å; N158-N161 PolarHBondContact O-N 3.3Å; N158-N161 WeakPolarHBondContact OD1-CA 3.19Å; N158-N161 WeakPolarHBondContact OD1-CB 3.44Å; N158-N161 PolarHBondContact OD1-N 3.04Å; N158-D162 WeakPolarHBondContact O-CB 3.47Å; N158-D162 PolarHBondContact O-N 2.91Å; N158-D162 VanDerWaalsContact O-N 3.07Å
159	S	95.1	Very high	96	Very high	75 Å²	75	57.4 Å²	57.4	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-32.9	-173.6	56.4	0	0	0	0	112.8	D162 I163	S159-D162 PolarHBondContact O-N 3.48Å; S159-I163 WeakPolarHBondContact O-CD1 3.19Å; S159-I163 WeakPolarHBondContact O-CG1 2.84Å; S159-I163 PolarHBondContact O-N 3.26Å
160	R	95.4	Very high	96.2	Very high	202 Å²	202	59.9 Å²	59.9	76%	0.762	31%	0.314	S	S	*	.	H	α-helix	trans	-64.6	-48.6	178.4	-173	-179.9	-66.8	-107.7	0.3	111.3	N158 D162 I163 T164	N158-R160 VanDerWaalsContact C-N 3.27Å; N158-R160 PolarHBondContact O-N 3.06Å; R160-D162 VanDerWaalsContact C-N 3.32Å; R160-I163 PolarHBondContact O-N 3.47Å; R160-T164 WeakPolarHBondContact O-CB 3.49Å; R160-T164 PolarHBondContact O-N 3.39Å; R160-T164 PolarHBondContact O-OG1 3.28Å
161	N	93.4	Very high	96.2	Very high	57 Å²	57	64 Å²	64	31%	0.305	33%	0.327	S	S	.	.	H	α-helix	trans	-64.5	-39.4	177.8	-175.6	-104.2	0	0	0	111.2	I81 N158 T164 N165	I81-N161 HydrophobicContact CD1-CB 3.7Å; N158-N161 PolarHBondContact O-N 3.3Å; N158-N161 WeakPolarHBondContact OD1-CA 3.19Å; N158-N161 WeakPolarHBondContact OD1-CB 3.44Å; N158-N161 PolarHBondContact OD1-N 3.04Å; N161-T164 PolarHBondContact O-N 3.37Å; N161-N165 VanDerWaalsContact O-CB 3.28Å; N161-N165 WeakPolarHBondContact O-CB 3.34Å; N161-N165 PolarHBondContact O-N 2.88Å
162	D	94.6	Very high	96.3	Very high	66 Å²	66	66.4 Å²	66.4	35%	0.353	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-49.7	176.5	-169.2	45.9	0	0	0	111.8	Y157 N158 S159 R160 T164 N165 A166	Y157-D162 HydrophobicContact CE2-CB 3.71Å; Y157-D162 PolarHBondContact OH-OD2 3.37Å; N158-D162 WeakPolarHBondContact O-CB 3.47Å; N158-D162 PolarHBondContact O-N 2.91Å; N158-D162 VanDerWaalsContact O-N 3.07Å; S159-D162 PolarHBondContact O-N 3.48Å; R160-D162 VanDerWaalsContact C-N 3.32Å; D162-T164 PolarHBondContact O-N 3.31Å; D162-N165 PolarHBondContact O-N 2.87Å; D162-A166 PolarHBondContact O-N 3.2Å
163	I	97	Very high	96.3	Very high	102 Å²	102	66.5 Å²	66.5	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-44.2	175	-68.7	161.9	0	0	0	111.3	S159 R160 N165 A166 M167	S159-I163 WeakPolarHBondContact O-CD1 3.19Å; S159-I163 WeakPolarHBondContact O-CG1 2.84Å; S159-I163 PolarHBondContact O-N 3.26Å; R160-I163 PolarHBondContact O-N 3.47Å; I163-N165 VanDerWaalsContact C-N 3.32Å; I163-N165 PolarHBondContact O-N 2.82Å; I163-A166 PolarHBondContact O-N 3.4Å; I163-M167 HydrophobicContact CG2-CG 4.48Å; I163-M167 WeakPolarHBondContact O-CG 3.18Å; I163-M167 PolarHBondContact O-N 2.8Å
164	T	96.5	Very high	96.3	Very high	85 Å²	85	68.8 Å²	68.8	52%	0.521	36%	0.356	S	S	.	.	H	α-helix	trans	-60.8	-42.4	177.5	-62.3	0	0	0	0	111.5	R160 N161 D162 M167 E168	R160-T164 WeakPolarHBondContact O-CB 3.49Å; R160-T164 PolarHBondContact O-N 3.39Å; R160-T164 PolarHBondContact O-OG1 3.28Å; N161-T164 PolarHBondContact O-N 3.37Å; D162-T164 PolarHBondContact O-N 3.31Å; T164-M167 PolarHBondContact O-N 3.46Å; T164-E168 WeakPolarHBondContact O-CB 3.11Å; T164-E168 PolarHBondContact O-N 3.48Å
165	N	94.5	Very high	96.2	Very high	85 Å²	85	75.7 Å²	75.7	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-41.6	176.6	-177.3	64.9	0	0	0	111.6	N161 D162 I163 M167 E168 I169	N161-N165 VanDerWaalsContact O-CB 3.28Å; N161-N165 WeakPolarHBondContact O-CB 3.34Å; N161-N165 PolarHBondContact O-N 2.88Å; D162-N165 PolarHBondContact O-N 2.87Å; I163-N165 VanDerWaalsContact C-N 3.32Å; I163-N165 PolarHBondContact O-N 2.82Å; N165-M167 VanDerWaalsContact C-N 3.34Å; N165-M167 PolarHBondContact O-N 2.79Å; N165-E168 PolarHBondContact O-N 2.79Å; N165-I169 WeakPolarHBondContact O-CG1 3.23Å; N165-I169 PolarHBondContact O-N 3.01Å
166	A	96.5	Very high	96.3	Very high	48 Å²	48	80.8 Å²	80.8	40%	0.397	41%	0.408	S	S	.	.	H	α-helix	trans	-59.9	-44	174.2	0	0	0	0	0	111.9	D162 I163 E168 I169 V170	D162-A166 PolarHBondContact O-N 3.2Å; I163-A166 PolarHBondContact O-N 3.4Å; A166-E168 VanDerWaalsContact C-N 3.34Å; A166-E168 PolarHBondContact O-N 3.49Å; A166-I169 PolarHBondContact O-N 3.11Å; A166-V170 WeakPolarHBondContact O-CG2 3.37Å; A166-V170 PolarHBondContact O-N 3.03Å
167	M	97.1	Very high	96.2	Very high	124 Å²	124	83.6 Å²	83.6	61%	0.611	44%	0.437	S	S	*	.	H	α-helix	trans	-65.4	-36.3	176	-67.4	-62.3	167.1	0	0	112.4	I163 T164 N165 V170 R171	I163-M167 HydrophobicContact CG2-CG 4.48Å; I163-M167 WeakPolarHBondContact O-CG 3.18Å; I163-M167 PolarHBondContact O-N 2.8Å; T164-M167 PolarHBondContact O-N 3.46Å; N165-M167 VanDerWaalsContact C-N 3.34Å; N165-M167 PolarHBondContact O-N 2.79Å; M167-V170 PolarHBondContact O-N 3.47Å; M167-R171 WeakPolarHBondContact O-CB 3.36Å; M167-R171 PolarHBondContact O-N 3.08Å
168	E	96.6	Very high	96.2	Very high	76 Å²	76	89 Å²	89	36%	0.355	46%	0.461	S	S	.	.	H	α-helix	trans	-65.7	-40.4	174.9	-179.5	59.6	-168.4	0	0	111.9	T164 N165 A166 V170 R171 L172	T164-E168 WeakPolarHBondContact O-CB 3.11Å; T164-E168 PolarHBondContact O-N 3.48Å; N165-E168 PolarHBondContact O-N 2.79Å; A166-E168 VanDerWaalsContact C-N 3.34Å; A166-E168 PolarHBondContact O-N 3.49Å; E168-V170 VanDerWaalsContact C-N 3.34Å; E168-V170 PolarHBondContact O-N 2.84Å; E168-R171 WeakPolarHBondContact O-CB 3.19Å; E168-R171 PolarHBondContact O-N 3.01Å; E168-R171 IonicContact OE1-CZ 3.9Å; E168-R171 IonicContact OE1-NE 3.85Å; E168-R171 PolarHBondContact OE1-NE 3.31Å; E168-R171 IonicContact OE1-NH2 3.54Å; E168-R171 PolarHBondContact OE1-NH2 3.23Å; E168-R171 IonicContact OE2-CZ 3.44Å; E168-R171 IonicContact OE2-NE 3.4Å; E168-R171 PolarHBondContact OE2-NE 3.26Å; E168-R171 IonicContact OE2-NH2 2.66Å; E168-L172 HydrophobicContact CG-CD1 4.33Å; E168-L172 WeakPolarHBondContact O-CB 3.28Å; E168-L172 WeakPolarHBondContact O-CG 3.19Å; E168-L172 PolarHBondContact O-N 2.95Å
169	I	96.3	Very high	96.3	Very high	103 Å²	103	90.8 Å²	90.8	53%	0.528	47%	0.47	S	S	.	.	H	α-helix	trans	-60.4	-44.4	173.2	-68.2	165.3	0	0	0	110.6	N165 A166 L172 G173	N165-I169 WeakPolarHBondContact O-CG1 3.23Å; N165-I169 PolarHBondContact O-N 3.01Å; A166-I169 PolarHBondContact O-N 3.11Å; I169-L172 PolarHBondContact O-N 2.85Å; I169-G173 PolarHBondContact O-N 2.82Å
170	V	96.9	Very high	96.3	Very high	70 Å²	70	94.2 Å²	94.2	42%	0.424	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-46.4	175.4	173.5	0	0	0	0	110.8	A166 M167 E168 L172 G173 V174 I179	A166-V170 WeakPolarHBondContact O-CG2 3.37Å; A166-V170 PolarHBondContact O-N 3.03Å; M167-V170 PolarHBondContact O-N 3.47Å; E168-V170 VanDerWaalsContact C-N 3.34Å; E168-V170 PolarHBondContact O-N 2.84Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 2.75Å; V170-G173 PolarHBondContact O-N 3.32Å; V170-G173 VanDerWaalsContact O-N 3.13Å; V170-V174 WeakPolarHBondContact O-CG2 3.34Å; V170-V174 PolarHBondContact O-N 3.08Å; V170-I179 HydrophobicContact CG1-CD1 4.3Å
171	R	97	Very high	96	Very high	118 Å²	118	88.1 Å²	88.1	45%	0.445	47%	0.468	S	S	.	.	H	α-helix	trans	-58.7	-42.9	178.2	-167.8	-162.6	68	70.6	0.7	111.9	M167 E168 V174 K175	M167-R171 WeakPolarHBondContact O-CB 3.36Å; M167-R171 PolarHBondContact O-N 3.08Å; E168-R171 WeakPolarHBondContact O-CB 3.19Å; E168-R171 PolarHBondContact O-N 3.01Å; E168-R171 IonicContact OE1-CZ 3.9Å; E168-R171 IonicContact OE1-NE 3.85Å; E168-R171 PolarHBondContact OE1-NE 3.31Å; E168-R171 IonicContact OE1-NH2 3.54Å; E168-R171 PolarHBondContact OE1-NH2 3.23Å; E168-R171 IonicContact OE2-CZ 3.44Å; E168-R171 IonicContact OE2-NE 3.4Å; E168-R171 PolarHBondContact OE2-NE 3.26Å; E168-R171 IonicContact OE2-NH2 2.66Å; R171-V174 PolarHBondContact O-N 3.37Å; R171-K175 PolarHBondContact O-N 2.97Å
172	L	97.4	Very high	95.8	Very high	62 Å²	62	91 Å²	91	33%	0.325	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-42.4	174.5	-71.2	172.4	0	0	0	111.5	E168 I169 V170 V174 K175 E176	E168-L172 HydrophobicContact CG-CD1 4.33Å; E168-L172 WeakPolarHBondContact O-CB 3.28Å; E168-L172 WeakPolarHBondContact O-CG 3.19Å; E168-L172 PolarHBondContact O-N 2.95Å; I169-L172 PolarHBondContact O-N 2.85Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 2.75Å; L172-V174 VanDerWaalsContact C-N 3.31Å; L172-V174 PolarHBondContact O-N 2.95Å; L172-K175 PolarHBondContact O-N 3.18Å; L172-E176 WeakPolarHBondContact O-CB 3.44Å; L172-E176 WeakPolarHBondContact O-CG 3.38Å; L172-E176 PolarHBondContact O-N 3.33Å
173	G	97.8	Very high	94.8	Very high	9 Å²	9	100 Å²	100	9%	0.093	53%	0.532	C	S	.	.	H	α-helix	trans	-59.3	-38.2	174.7	0	0	0	0	0	113.4	I169 V170 G177 K178 I179	I169-G173 PolarHBondContact O-N 2.82Å; V170-G173 PolarHBondContact O-N 3.32Å; V170-G173 VanDerWaalsContact O-N 3.13Å; G173-G177 PolarHBondContact O-N 3.46Å; G173-K178 PolarHBondContact O-N 2.72Å; G173-I179 PolarHBondContact O-N 3.14Å
174	V	97.3	Very high	94.7	Very high	55 Å²	55	99.9 Å²	99.9	33%	0.333	53%	0.532	S	S	.	.	H	α-helix	trans	-67.2	-46.8	172.8	173.3	0	0	0	0	111.2	V170 R171 L172 E176 G177 I179 P181	V170-V174 WeakPolarHBondContact O-CG2 3.34Å; V170-V174 PolarHBondContact O-N 3.08Å; R171-V174 PolarHBondContact O-N 3.37Å; L172-V174 VanDerWaalsContact C-N 3.31Å; L172-V174 PolarHBondContact O-N 2.95Å; V174-E176 PolarHBondContact O-N 3.34Å; V174-G177 PolarHBondContact O-N 2.93Å; V174-I179 WeakPolarHBondContact CA-O 3.39Å; V174-I179 HydrophobicContact CG2-CB 3.98Å; V174-I179 HydrophobicContact CG2-CG2 3.96Å; V174-P181 HydrophobicContact CB-CG 4.4Å; V174-P181 HydrophobicContact CG1-CG 3.6Å; V174-P181 HydrophobicContact CG2-CG 3.82Å
175	K	96.4	Very high	94.6	Very high	162 Å²	162	100.7 Å²	100.7	70%	0.704	53%	0.533	S	S	*	.	H	α-helix	trans	-58.9	-36.6	178.1	-175	-175.2	175.4	-172.8	0	112.2	R171 L172 G177	R171-K175 PolarHBondContact O-N 2.97Å; L172-K175 PolarHBondContact O-N 3.18Å; K175-G177 VanDerWaalsContact C-N 3.3Å
176	E	97.3	Very high	94.6	Very high	116 Å²	116	101.6 Å²	101.6	54%	0.542	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-1	178.4	-68	177.8	-178.7	0	0	113.7	L172 V174 K178	L172-E176 WeakPolarHBondContact O-CB 3.44Å; L172-E176 WeakPolarHBondContact O-CG 3.38Å; L172-E176 PolarHBondContact O-N 3.33Å; V174-E176 PolarHBondContact O-N 3.34Å; E176-K178 HydrophobicContact CB-CD 4.32Å; E176-K178 HydrophobicContact CB-CG 4.26Å; E176-K178 PolarHBondContact O-N 2.99Å; E176-K178 WeakPolarHBondContact OE2-CD 3.44Å; E176-K178 VanDerWaalsContact OE2-CE 3.25Å; E176-K178 WeakPolarHBondContact OE2-CE 3.45Å; E176-K178 IonicContact OE2-NZ 3.39Å; E176-K178 PolarHBondContact OE2-NZ 2.91Å
177	G	96.3	Very high	94.5	Very high	59 Å²	59	104.7 Å²	104.7	61%	0.608	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	12.9	-178.1	0	0	0	0	0	114.8	G173 V174 K175	G173-G177 PolarHBondContact O-N 3.46Å; V174-G177 PolarHBondContact O-N 2.93Å; K175-G177 VanDerWaalsContact C-N 3.3Å
178	K	97	Very high	94.4	Very high	161 Å²	161	103.5 Å²	103.5	70%	0.7	54%	0.542	S	S	*	.	S	Bend	trans	-82.3	-24.2	176.9	-66.4	175.3	-179.5	161.7	0	112.7	G173 E176	G173-K178 PolarHBondContact O-N 2.72Å; E176-K178 HydrophobicContact CB-CD 4.32Å; E176-K178 HydrophobicContact CB-CG 4.26Å; E176-K178 PolarHBondContact O-N 2.99Å; E176-K178 WeakPolarHBondContact OE2-CD 3.44Å; E176-K178 VanDerWaalsContact OE2-CE 3.25Å; E176-K178 WeakPolarHBondContact OE2-CE 3.45Å; E176-K178 IonicContact OE2-NZ 3.39Å; E176-K178 PolarHBondContact OE2-NZ 2.91Å
179	I	96.4	Very high	94.2	Very high	72 Å²	72	105.3 Å²	105.3	37%	0.369	55%	0.554	S	S	.	*	S	Bend	trans	-121.6	129.2	175.7	-59.3	175.7	0	0	0	107.6	V170 G173 V174	V170-I179 HydrophobicContact CG1-CD1 4.3Å; G173-I179 PolarHBondContact O-N 3.14Å; V174-I179 WeakPolarHBondContact CA-O 3.39Å; V174-I179 HydrophobicContact CG2-CB 3.98Å; V174-I179 HydrophobicContact CG2-CG2 3.96Å
180	I	93.9	Very high	94.1	Very high	146 Å²	146	105.5 Å²	105.5	75%	0.749	56%	0.556	S	S	*	*			trans	-100.2	115	175.4	-58	170.8	0	0	0	107	S182	I180-S182 PolarHBondContact O-N 3.05Å
181	P	90.8	Very high	93.8	Very high	75 Å²	75	108.2 Å²	108.2	49%	0.487	57%	0.566	S	S	.	*			trans	-59.2	133.1	171.7	-21.6	33	0	0	0	110.1	V174 H183	V174-P181 HydrophobicContact CB-CG 4.4Å; V174-P181 HydrophobicContact CG1-CG 3.6Å; V174-P181 HydrophobicContact CG2-CG 3.82Å; P181-H183 PolarHBondContact O-N 3.41Å
182	S	88.8	Confident	93.6	Very high	118 Å²	118	107.4 Å²	107.4	83%	0.825	58%	0.576	S	S	*	*			trans	-65.2	122.5	165.7	55.3	0	0	0	0	108.1	I180	I180-S182 PolarHBondContact O-N 3.05Å
183	H	73.6	Confident	93.2	Very high	254 Å²	254	111.5 Å²	111.5	100%	1.176	60%	0.599	S	S	*	*			trans	-47.7	0	-179.9	-63.3	-65.7	0	0	0	114.4	P181	P181-H183 PolarHBondContact O-N 3.41Å

Retrieved 183 of 183 residues in 455.5 ms (Link to these results)

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