G4LYI8_SCHMA Loading...

ATP-dependent (S)-NAD(P)H-hydrate dehydratase

Catalyzes the dehydration of the S-form of NAD(P)HX at the expense of ATP, which is converted to ADP. Together with NAD(P)HX epimerase, which catalyzes the epimerization of the S- and R-forms, the enzyme allows the repair of both epimers of NAD(P)HX, a damaged form of NAD(P)H that is a result of enzymatic or heat-dependent hydration.

AlphaFold DB , UniProt , Accession G4LYI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 294 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	87.3	Confident	91.5	Very high	65 Å²	65	53.6 Å²	53.6	32%	0.32	28%	0.282	S	S	.	.				0	-65.9	0	-160.6	65.8	-165.6	0	0	112	D3 D4 I5 F242 I246 F250	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 3.1Å; M1-D4 WeakPolarHBondContact CA-OD2 3.4Å; M1-D4 PolarHBondContact N-OD2 2.79Å; M1-D4 WeakPolarHBondContact O-CB 3.22Å; M1-D4 PolarHBondContact O-N 3.12Å; M1-I5 HydrophobicContact CE-CD1 3.78Å; M1-I5 HydrophobicContact CE-CG1 4.02Å; M1-I5 HydrophobicContact CG-CD1 4Å; M1-I5 WeakPolarHBondContact O-CG1 3.45Å; M1-I5 PolarHBondContact O-N 3.2Å; M1-F242 HydrophobicContact CE-CB 3.59Å; M1-F242 HydrophobicContact CE-CD1 3.46Å; M1-F242 VanDerWaalsContact CE-CD1 3.46Å; M1-F242 HydrophobicContact CE-CD2 4.25Å; M1-F242 HydrophobicContact CE-CE1 4.18Å; M1-F242 HydrophobicContact CE-CG 3.5Å; M1-F242 VanDerWaalsContact CE-CG 3.5Å; M1-F242 HydrophobicContact SD-CB 4.15Å; M1-F242 HydrophobicContact SD-CD1 3.91Å; M1-F242 HydrophobicContact SD-CG 4.32Å; M1-I246 HydrophobicContact CE-CG2 4.06Å; M1-F250 HydrophobicContact CB-CE1 4.48Å; M1-F250 HydrophobicContact CE-CB 4.32Å; M1-F250 HydrophobicContact CG-CD1 3.96Å; M1-F250 HydrophobicContact CG-CD2 4.3Å; M1-F250 HydrophobicContact CG-CE1 4.06Å; M1-F250 HydrophobicContact CG-CE2 4.4Å; M1-F250 HydrophobicContact CG-CG 4.08Å; M1-F250 HydrophobicContact CG-CZ 4.29Å
2	I	90	Very high	91.3	Very high	51 Å²	51	60.4 Å²	60.4	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-38.4	-177	-159.7	69.9	0	0	0	112.7	D4 I5 T6 F250 L287 F288	I2-D4 VanDerWaalsContact C-N 3.33Å; I2-D4 PolarHBondContact O-N 3.2Å; I2-I5 PolarHBondContact O-N 3.13Å; I2-T6 WeakPolarHBondContact O-CB 3.33Å; I2-T6 PolarHBondContact O-N 3.26Å; I2-T6 PolarHBondContact O-OG1 3.49Å; I2-F250 HydrophobicContact CD1-CE1 4.28Å; I2-L287 HydrophobicContact CD1-CD2 4.4Å; I2-F288 HydrophobicContact CD1-CD1 4.27Å; I2-F288 HydrophobicContact CD1-CE1 3.62Å; I2-F288 HydrophobicContact CD1-CZ 4.5Å
3	D	90.1	Very high	91.1	Very high	113 Å²	113	62.3 Å²	62.3	60%	0.604	33%	0.333	S	S	*	.	H	α-helix	trans	-64.1	-39.5	175.4	-59.1	-37.1	0	0	0	111.8	M1 T6 N7	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 3.1Å; D3-T6 WeakPolarHBondContact O-CB 3.42Å; D3-T6 PolarHBondContact O-N 3.01Å; D3-N7 PolarHBondContact O-N 3Å; D3-N7 PolarHBondContact O-ND2 3.33Å
4	D	91.4	Very high	91.1	Very high	48 Å²	48	72.7 Å²	72.7	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-67.2	-41.3	177.8	-47.7	-54.1	0	0	0	111	M1 I2 N7 S8 L241 F242	M1-D4 WeakPolarHBondContact CA-OD2 3.4Å; M1-D4 PolarHBondContact N-OD2 2.79Å; M1-D4 WeakPolarHBondContact O-CB 3.22Å; M1-D4 PolarHBondContact O-N 3.12Å; I2-D4 VanDerWaalsContact C-N 3.33Å; I2-D4 PolarHBondContact O-N 3.2Å; D4-N7 PolarHBondContact O-N 3.44Å; D4-S8 WeakPolarHBondContact O-CB 3.41Å; D4-S8 PolarHBondContact O-N 3.21Å; D4-S8 VanDerWaalsContact O-N 3.16Å; D4-S8 PolarHBondContact O-OG 2.75Å; D4-L241 WeakPolarHBondContact OD1-CD1 3.43Å; D4-F242 HydrophobicContact CB-CD1 4.17Å; D4-F242 HydrophobicContact CB-CE1 3.84Å
5	I	94.3	Very high	91	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-61.2	-46.7	173.3	-73.8	168.9	0	0	0	110	M1 I2 N7 S8 I9 F230 F242 F250 A251 F288	M1-I5 HydrophobicContact CE-CD1 3.78Å; M1-I5 HydrophobicContact CE-CG1 4.02Å; M1-I5 HydrophobicContact CG-CD1 4Å; M1-I5 WeakPolarHBondContact O-CG1 3.45Å; M1-I5 PolarHBondContact O-N 3.2Å; I2-I5 PolarHBondContact O-N 3.13Å; I5-N7 VanDerWaalsContact C-N 3.31Å; I5-N7 PolarHBondContact O-N 3.41Å; I5-S8 CarbonylContact O-C 3.55Å; I5-S8 WeakPolarHBondContact O-CA 3.49Å; I5-S8 WeakPolarHBondContact O-CB 3.43Å; I5-S8 PolarHBondContact O-N 3.35Å; I5-I9 HydrophobicContact CG2-CD1 4.15Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 3.06Å; I5-I9 VanDerWaalsContact O-N 3.09Å; I5-F230 HydrophobicContact CG2-CZ 4.04Å; I5-F242 HydrophobicContact CG1-CD1 4.48Å; I5-F242 HydrophobicContact CG1-CE1 3.8Å; I5-F242 HydrophobicContact CG1-CZ 3.95Å; I5-F250 HydrophobicContact CD1-CB 4.02Å; I5-F250 HydrophobicContact CD1-CD1 3.44Å; I5-F250 VanDerWaalsContact CD1-CD1 3.44Å; I5-F250 HydrophobicContact CD1-CE1 4.32Å; I5-F250 HydrophobicContact CD1-CG 4.09Å; I5-A251 HydrophobicContact CD1-CB 4.31Å; I5-A251 HydrophobicContact CG2-CB 3.79Å; I5-F288 HydrophobicContact CG2-CD1 3.96Å; I5-F288 HydrophobicContact CG2-CE1 3.55Å; I5-F288 HydrophobicContact CG2-CZ 4.4Å
6	T	93.6	Very high	90.9	Very high	15 Å²	15	71 Å²	71	9%	0.092	39%	0.387	C	S	.	.	H	α-helix	trans	-56.8	-45.1	178.7	-64.3	0	0	0	0	111.5	I2 D3 S8 I9 L287 F288 K290	I2-T6 WeakPolarHBondContact O-CB 3.33Å; I2-T6 PolarHBondContact O-N 3.26Å; I2-T6 PolarHBondContact O-OG1 3.49Å; D3-T6 WeakPolarHBondContact O-CB 3.42Å; D3-T6 PolarHBondContact O-N 3.01Å; T6-S8 PolarHBondContact O-N 3.38Å; T6-I9 PolarHBondContact O-N 3.03Å; T6-L287 PolarHBondContact OG1-O 3.09Å; T6-F288 VanDerWaalsContact CG2-O 3.27Å; T6-F288 WeakPolarHBondContact CG2-O 3.41Å; T6-K290 HydrophobicContact CG2-CG 4.12Å
7	N	91	Very high	90.9	Very high	96 Å²	96	74.9 Å²	74.9	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-67.7	-19.3	175.8	-70.2	-43.5	0	0	0	113.7	D3 D4 I5 K290	D3-N7 PolarHBondContact O-N 3Å; D3-N7 PolarHBondContact O-ND2 3.33Å; D4-N7 PolarHBondContact O-N 3.44Å; I5-N7 VanDerWaalsContact C-N 3.31Å; I5-N7 PolarHBondContact O-N 3.41Å; N7-K290 WeakPolarHBondContact OD1-CE 3.22Å; N7-K290 PolarHBondContact OD1-NZ 2.66Å
8	S	92.6	Very high	91	Very high	15 Å²	15	79.7 Å²	79.7	11%	0.105	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.1	179.9	-52.4	0	0	0	0	112.7	D4 I5 T6 F230 L233 L240	D4-S8 WeakPolarHBondContact O-CB 3.41Å; D4-S8 PolarHBondContact O-N 3.21Å; D4-S8 VanDerWaalsContact O-N 3.16Å; D4-S8 PolarHBondContact O-OG 2.75Å; I5-S8 CarbonylContact O-C 3.55Å; I5-S8 WeakPolarHBondContact O-CA 3.49Å; I5-S8 WeakPolarHBondContact O-CB 3.43Å; I5-S8 PolarHBondContact O-N 3.35Å; T6-S8 PolarHBondContact O-N 3.38Å; S8-F230 WeakPolarHBondContact O-CE1 3.4Å; S8-L233 WeakPolarHBondContact O-CD1 3.49Å; S8-L240 WeakPolarHBondContact OG-CD2 3.32Å
9	I	93.8	Very high	91	Very high	12 Å²	12	75.5 Å²	75.5	6%	0.062	40%	0.396	C	S	.	.	S	Bend	trans	-80.7	125	176.5	-77.1	166.2	0	0	0	109.4	I5 T6 Q11 F226 W229 F230 F284 F288	I5-I9 HydrophobicContact CG2-CD1 4.15Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 3.06Å; I5-I9 VanDerWaalsContact O-N 3.09Å; T6-I9 PolarHBondContact O-N 3.03Å; I9-Q11 PolarHBondContact O-N 3.23Å; I9-Q11 PolarHBondContact O-NE2 3.49Å; I9-F226 HydrophobicContact CD1-CE1 3.94Å; I9-F226 HydrophobicContact CG1-CE1 4.14Å; I9-W229 HydrophobicContact CG2-CZ3 4.24Å; I9-F230 HydrophobicContact CG1-CE1 4.28Å; I9-F230 HydrophobicContact CG1-CZ 4.33Å; I9-F284 HydrophobicContact CD1-CZ 4.15Å; I9-F284 HydrophobicContact CG2-CE1 4.31Å; I9-F284 HydrophobicContact CG2-CZ 3.75Å; I9-F288 HydrophobicContact CD1-CB 3.42Å; I9-F288 VanDerWaalsContact CD1-CB 3.42Å; I9-F288 HydrophobicContact CD1-CD1 3.42Å; I9-F288 VanDerWaalsContact CD1-CD1 3.42Å; I9-F288 HydrophobicContact CD1-CD2 3.65Å; I9-F288 HydrophobicContact CD1-CE1 4.05Å; I9-F288 HydrophobicContact CD1-CE2 4.26Å; I9-F288 HydrophobicContact CD1-CG 3.19Å; I9-F288 HydrophobicContact CD1-CZ 4.43Å
10	P	92.2	Very high	91.2	Very high	37 Å²	37	76.5 Å²	76.5	24%	0.24	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-61.7	132.8	-179	23.6	-31.4	0	0	0	110.8	M21 W229	P10-M21 HydrophobicContact CB-CE 4.01Å; P10-M21 HydrophobicContact CB-SD 4.2Å; P10-M21 HydrophobicContact CG-CE 3.69Å; P10-M21 HydrophobicContact CG-SD 4.38Å; P10-W229 HydrophobicContact CG-CB 4.03Å; P10-W229 HydrophobicContact CG-CD2 3.48Å; P10-W229 VanDerWaalsContact CG-CD2 3.48Å; P10-W229 HydrophobicContact CG-CE3 3.94Å; P10-W229 HydrophobicContact CG-CG 3.53Å; P10-W229 HydrophobicContact CG-CZ2 4.42Å
11	Q	90.1	Very high	91.4	Very high	138 Å²	138	73.2 Å²	73.2	65%	0.645	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-82.5	137.1	179.1	-61.5	-61	-61.7	0	0	110.4	I9 T13	I9-Q11 PolarHBondContact O-N 3.23Å; I9-Q11 PolarHBondContact O-NE2 3.49Å; Q11-T13 PolarHBondContact O-N 3.12Å
12	L	89.1	Confident	91.8	Very high	135 Å²	135	70.1 Å²	70.1	71%	0.707	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-69.7	129.7	169.5	-63.9	176.9	0	0	0	109.3	M21	L12-M21 HydrophobicContact CD2-CE 3.75Å; L12-M21 HydrophobicContact CD2-CG 3.67Å; L12-M21 HydrophobicContact CD2-SD 3.93Å
13	T	89.4	Confident	92.3	Very high	85 Å²	85	71.3 Å²	71.3	52%	0.521	37%	0.367	S	S	.	.			trans	-136.6	155.9	177	73	0	0	0	0	110.6	Q11 G15 L16	Q11-T13 PolarHBondContact O-N 3.12Å; T13-G15 PolarHBondContact O-N 3.43Å; T13-G15 VanDerWaalsContact O-N 3.13Å; T13-L16 PolarHBondContact O-N 3.04Å
14	H	90.5	Very high	92.7	Very high	208 Å²	208	66 Å²	66	96%	0.963	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.4	178.2	-67.1	-68.8	0	0	0	114.2
15	G	90.3	Very high	93	Very high	55 Å²	55	63.7 Å²	63.7	57%	0.567	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.4	178.3	0	0	0	0	0	114.4	T13	T13-G15 PolarHBondContact O-N 3.43Å; T13-G15 VanDerWaalsContact O-N 3.13Å
16	L	88.4	Confident	93.2	Very high	63 Å²	63	63.7 Å²	63.7	33%	0.33	33%	0.326	S	S	.	.			trans	-76.4	143.3	-179.3	-66.2	173.2	0	0	0	111.7	T13 Q20 M21	T13-L16 PolarHBondContact O-N 3.04Å; L16-Q20 HydrophobicContact CD2-CB 4.19Å; L16-M21 HydrophobicContact CD1-CG 4.02Å; L16-M21 HydrophobicContact CD1-SD 3.71Å
17	H	91.3	Very high	93.5	Very high	138 Å²	138	63 Å²	63	64%	0.639	32%	0.322	S	S	*	.			trans	-104.4	154	174.2	-59.9	-52.4	0	0	0	111.3	G19 Q20	H17-G19 PolarHBondContact O-N 3.43Å; H17-Q20 HydrophobicContact CB-CG 4.45Å; H17-Q20 WeakPolarHBondContact O-CB 3.33Å; H17-Q20 WeakPolarHBondContact O-CG 2.98Å; H17-Q20 PolarHBondContact O-N 2.87Å
18	K	92.1	Very high	93.8	Very high	160 Å²	160	58.4 Å²	58.4	70%	0.696	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	123.7	178.2	-176	175.8	-176.9	174.6	0	112	L51	K18-L51 HydrophobicContact CG-CD1 4.42Å; K18-L51 HydrophobicContact CG-CG 4.45Å
19	G	92.4	Very high	94.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.4	-14.8	179.3	0	0	0	0	0	113.7	H17 M21 G22 D50 H92	H17-G19 PolarHBondContact O-N 3.43Å; G19-M21 VanDerWaalsContact C-N 3.3Å; G19-M21 PolarHBondContact O-N 3.46Å; G19-G22 PolarHBondContact O-N 3.18Å; G19-G22 VanDerWaalsContact O-N 3.1Å; G19-D50 VanDerWaalsContact C-OD2 3.23Å; G19-D50 VanDerWaalsContact CA-OD2 3.22Å; G19-D50 WeakPolarHBondContact CA-OD2 3.45Å; G19-D50 PolarHBondContact N-OD2 2.89Å; G19-H92 PolarHBondContact O-CE1 2.78Å
20	Q	93.5	Very high	94.3	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.444	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.1	179.1	-70.6	-172.7	-56.3	0	0	112.9	L16 H17 G22 D50 Y228	L16-Q20 HydrophobicContact CD2-CB 4.19Å; H17-Q20 HydrophobicContact CB-CG 4.45Å; H17-Q20 WeakPolarHBondContact O-CB 3.33Å; H17-Q20 WeakPolarHBondContact O-CG 2.98Å; H17-Q20 PolarHBondContact O-N 2.87Å; Q20-G22 VanDerWaalsContact C-N 3.27Å; Q20-D50 PolarHBondContact N-OD2 3.46Å; Q20-D50 VanDerWaalsContact N-OD2 3.12Å; Q20-Y228 PolarHBondContact O-OH 3.31Å
21	M	95.3	Very high	94.4	Very high	9 Å²	9	62.4 Å²	62.4	4%	0.044	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.5	171.6	-64.7	-62.3	-62.1	0	0	113	P10 L12 L16 G19 G48 D50 W229	P10-M21 HydrophobicContact CB-CE 4.01Å; P10-M21 HydrophobicContact CB-SD 4.2Å; P10-M21 HydrophobicContact CG-CE 3.69Å; P10-M21 HydrophobicContact CG-SD 4.38Å; L12-M21 HydrophobicContact CD2-CE 3.75Å; L12-M21 HydrophobicContact CD2-CG 3.67Å; L12-M21 HydrophobicContact CD2-SD 3.93Å; L16-M21 HydrophobicContact CD1-CG 4.02Å; L16-M21 HydrophobicContact CD1-SD 3.71Å; G19-M21 VanDerWaalsContact C-N 3.3Å; G19-M21 PolarHBondContact O-N 3.46Å; M21-G48 WeakPolarHBondContact CB-O 3.43Å; M21-D50 WeakPolarHBondContact CB-OD2 3.46Å; M21-D50 PolarHBondContact N-OD2 3.34Å; M21-W229 HydrophobicContact CE-CH2 4.43Å; M21-W229 HydrophobicContact CE-CZ2 3.67Å; M21-W229 PolarHBondContact O-NE1 3Å
22	G	97.4	Very high	94.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.			trans	133	131.8	171.8	0	0	0	0	0	112.7	G19 Q20 D50 L51	G19-G22 PolarHBondContact O-N 3.18Å; G19-G22 VanDerWaalsContact O-N 3.1Å; Q20-G22 VanDerWaalsContact C-N 3.27Å; G22-D50 PolarHBondContact O-N 3.18Å; G22-L51 PolarHBondContact O-N 3.13Å; G22-L51 VanDerWaalsContact O-N 3.13Å
23	R	98.4	Very high	95	Very high	76 Å²	76	61.4 Å²	61.4	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	104.5	163	-60.6	-168.7	-70	-90.6	0.3	105.5	L51 R90 V91 H92	R23-L51 CarbonylContact C-O 3.54Å; R23-L51 VanDerWaalsContact CA-O 3.32Å; R23-L51 WeakPolarHBondContact CA-O 3.43Å; R23-L51 HydrophobicContact CG-CB 4.16Å; R23-L51 HydrophobicContact CG-CD1 4.15Å; R23-R90 WeakPolarHBondContact CD-O 3.26Å; R23-R90 PolarHBondContact NE-O 2.96Å; R23-V91 HydrophobicContact CB-CG1 4.37Å; R23-V91 CarbonylContact O-C 3.43Å; R23-V91 WeakPolarHBondContact O-CA 3.25Å; R23-V91 VanDerWaalsContact O-CB 3.28Å; R23-V91 WeakPolarHBondContact O-CB 3.37Å; R23-H92 PolarHBondContact N-ND1 3.1Å; R23-H92 VanDerWaalsContact N-ND1 3.18Å; R23-H92 PolarHBondContact NH2-CE1 3.4Å; R23-H92 PolarHBondContact NH2-NE2 3.39Å; R23-H92 PolarHBondContact O-N 3.39Å
24	I	98.7	Very high	95.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.7	-172.6	-54.1	-61.2	0	0	0	108.9	A44 A49 L51 V52 H53 A93 V225	I24-A44 HydrophobicContact CG2-CB 4.32Å; I24-A49 HydrophobicContact CG1-CB 3.74Å; I24-L51 PolarHBondContact N-O 2.98Å; I24-V52 HydrophobicContact CB-CG2 4.27Å; I24-V52 CarbonylContact O-C 3.41Å; I24-V52 WeakPolarHBondContact O-CA 3.5Å; I24-H53 PolarHBondContact O-N 3.14Å; I24-A93 WeakPolarHBondContact CA-O 3.22Å; I24-A93 HydrophobicContact CD1-CB 3.97Å; I24-V225 HydrophobicContact CG1-CG2 4.11Å
25	A	98.8	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.5	167	0	0	0	0	0	111.3	H53 M88 V91 A93 I94 T95	A25-H53 CarbonylContact C-O 3.54Å; A25-H53 VanDerWaalsContact CA-O 3.3Å; A25-H53 WeakPolarHBondContact CA-O 3.26Å; A25-H53 HydrophobicContact CB-CB 4.47Å; A25-M88 HydrophobicContact CB-CE 3.67Å; A25-M88 HydrophobicContact CB-SD 4.47Å; A25-V91 HydrophobicContact CB-CB 4.22Å; A25-V91 HydrophobicContact CB-CG1 3.97Å; A25-V91 HydrophobicContact CB-CG2 3.83Å; A25-A93 PolarHBondContact N-O 2.92Å; A25-I94 HydrophobicContact CB-CG1 4.14Å; A25-I94 HydrophobicContact CB-CG2 4.08Å; A25-I94 CarbonylContact O-C 3.46Å; A25-I94 VanDerWaalsContact O-CA 3.31Å; A25-I94 WeakPolarHBondContact O-CA 3.4Å; A25-T95 PolarHBondContact O-N 2.91Å
26	V	98.9	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.9	162.5	179.8	0	0	0	0	107.6	P37 A41 H53 V54 V55 T95 P98	V26-P37 HydrophobicContact CG1-CB 4.2Å; V26-A41 HydrophobicContact CB-CB 4.38Å; V26-A41 HydrophobicContact CG2-CB 3.94Å; V26-H53 PolarHBondContact N-O 2.83Å; V26-V54 CarbonylContact O-C 3.59Å; V26-V54 WeakPolarHBondContact O-CA 3.35Å; V26-V55 PolarHBondContact O-N 2.97Å; V26-T95 CarbonylContact C-O 3.56Å; V26-T95 WeakPolarHBondContact CA-O 3.36Å; V26-P98 HydrophobicContact CG1-CB 4.28Å; V26-P98 HydrophobicContact CG1-CG 4.12Å
27	V	98.8	Very high	96.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.2	174.4	-178.5	0	0	0	0	107.7	V55 L77 M88 I94 T95 F96 G97 L100 L112	V27-V55 WeakPolarHBondContact CA-O 3.47Å; V27-V55 HydrophobicContact CG2-CB 4.24Å; V27-L77 HydrophobicContact CG1-CD1 3.65Å; V27-L77 HydrophobicContact CG1-CD2 4.11Å; V27-M88 HydrophobicContact CG2-CE 4.15Å; V27-M88 HydrophobicContact CG2-SD 4.18Å; V27-I94 HydrophobicContact CG2-CG2 3.77Å; V27-T95 PolarHBondContact N-O 3.39Å; V27-F96 HydrophobicContact CB-CD1 3.44Å; V27-F96 VanDerWaalsContact CB-CD1 3.44Å; V27-F96 HydrophobicContact CB-CE1 3.74Å; V27-F96 HydrophobicContact CB-CG 4.23Å; V27-F96 HydrophobicContact CG1-CD1 3.68Å; V27-F96 HydrophobicContact CG1-CE1 3.91Å; V27-F96 HydrophobicContact CG2-CD1 3.83Å; V27-F96 HydrophobicContact CG2-CE1 3.58Å; V27-F96 HydrophobicContact CG2-CZ 4.24Å; V27-F96 WeakPolarHBondContact O-CA 3.31Å; V27-G97 PolarHBondContact O-N 3.26Å; V27-L100 HydrophobicContact CG1-CD1 4.47Å; V27-L112 HydrophobicContact CG1-CD1 4.16Å
28	G	98.4	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.181	C	C	.	.			trans	171.9	172.2	-167.1	0	0	0	0	0	110.9	V55 C56 P98	G28-V55 PolarHBondContact N-O 3.23Å; G28-C56 WeakPolarHBondContact O-CA 3.42Å; G28-C56 WeakPolarHBondContact O-CB 3.32Å; G28-P98 CarbonylContact C-O 3.54Å; G28-P98 WeakPolarHBondContact CA-O 3.27Å
29	G	97.9	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.			trans	97.7	115.6	-176	0	0	0	0	0	113.1	Y33 S57 S60 P98 G99 N105	G29-Y33 WeakPolarHBondContact CA-O 2.93Å; G29-S57 WeakPolarHBondContact O-CB 3.46Å; G29-S57 PolarHBondContact O-N 3.05Å; G29-S57 VanDerWaalsContact O-N 3.08Å; G29-S57 PolarHBondContact O-OG 2.74Å; G29-S60 PolarHBondContact O-OG 3.36Å; G29-P98 PolarHBondContact N-O 3.45Å; G29-G99 CarbonylContact C-O 3.55Å; G29-G99 WeakPolarHBondContact CA-O 3.22Å; G29-G99 PolarHBondContact N-O 2.73Å; G29-N105 PolarHBondContact O-ND2 3.18Å
30	S	97.3	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.			trans	-122.5	176.5	174.8	79.3	0	0	0	0	110.4	E32 Y33 S60 G99 L100	S30-E32 PolarHBondContact O-N 3.37Å; S30-E32 VanDerWaalsContact O-N 3.16Å; S30-E32 PolarHBondContact OG-N 3.23Å; S30-Y33 PolarHBondContact O-N 3.13Å; S30-Y33 WeakPolarHBondContact OG-CD2 3.38Å; S30-Y33 PolarHBondContact OG-N 3.33Å; S30-S60 VanDerWaalsContact O-CB 3.29Å; S30-S60 WeakPolarHBondContact O-CB 3.38Å; S30-G99 PolarHBondContact N-O 3.23Å; S30-L100 WeakPolarHBondContact CB-O 3.43Å
31	K	94.6	Very high	97.9	Very high	148 Å²	148	28.9 Å²	28.9	64%	0.643	13%	0.133	S	C	*	.	S	Bend	trans	-49.1	-40.4	175.4	-177.8	-179.8	176.2	-172.8	0	113
32	E	94.3	Very high	98	Very high	117 Å²	117	29 Å²	29	55%	0.547	13%	0.133	S	C	.	.	S	Bend	trans	-90.6	-31.9	-178.2	-63.5	70.6	-151	0	0	113.5	S30	S30-E32 PolarHBondContact O-N 3.37Å; S30-E32 VanDerWaalsContact O-N 3.16Å; S30-E32 PolarHBondContact OG-N 3.23Å
33	Y	97.4	Very high	98.1	Very high	136 Å²	136	29 Å²	29	53%	0.533	13%	0.133	S	C	.	.			trans	-114.4	78.9	-167.5	-58.4	-65.7	0	0	0	113.1	G29 S30 P37	G29-Y33 WeakPolarHBondContact CA-O 2.93Å; S30-Y33 PolarHBondContact O-N 3.13Å; S30-Y33 WeakPolarHBondContact OG-CD2 3.38Å; S30-Y33 PolarHBondContact OG-N 3.33Å; Y33-P37 WeakPolarHBondContact O-CD 3.44Å
34	T	97.8	Very high	98.1	Very high	20 Å²	20	25.4 Å²	25.4	12%	0.123	12%	0.12	C	C	.	.			trans	-89.7	-27.3	179.1	60.8	0	0	0	0	113.3	P37 V63 Y67	T34-P37 WeakPolarHBondContact O-CD 3.13Å; T34-P37 WeakPolarHBondContact O-CG 3.5Å; T34-V63 HydrophobicContact CG2-CB 3.85Å; T34-V63 HydrophobicContact CG2-CG1 3.91Å; T34-V63 HydrophobicContact CG2-CG2 4.28Å; T34-Y67 PolarHBondContact OG1-OH 3.46Å; T34-Y67 VanDerWaalsContact OG1-OH 3.08Å
35	G	98.2	Very high	98.1	Very high	19 Å²	19	27.2 Å²	27.2	20%	0.196	13%	0.129	C	C	.	.	H	α-helix	trans	-75.9	-37.3	-175.2	0	0	0	0	0	114.3	Y38 F39	G35-Y38 WeakPolarHBondContact O-CB 3.49Å; G35-Y38 PolarHBondContact O-N 2.79Å; G35-F39 WeakPolarHBondContact O-CD2 3.43Å; G35-F39 PolarHBondContact O-N 2.84Å
36	A	98.5	Very high	98	Very high	19 Å²	19	31.4 Å²	31.4	16%	0.157	15%	0.149	C	C	.	.	H	α-helix	trans	-59.2	-53.4	179.8	0	0	0	0	0	113.5	Y38 F39 S40 P98 D217	A36-Y38 PolarHBondContact O-N 2.92Å; A36-F39 PolarHBondContact O-N 2.91Å; A36-S40 PolarHBondContact O-N 3.03Å; A36-S40 VanDerWaalsContact O-N 3.1Å; A36-P98 HydrophobicContact CB-CB 4.17Å; A36-D217 WeakPolarHBondContact CA-OD2 3.25Å; A36-D217 WeakPolarHBondContact O-CB 3.48Å
37	P	98.7	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-31.3	176.5	29.5	-38.8	0	0	0	112.2	V26 Y33 T34 A41 V54 I64 P98	V26-P37 HydrophobicContact CG1-CB 4.2Å; Y33-P37 WeakPolarHBondContact O-CD 3.44Å; T34-P37 WeakPolarHBondContact O-CD 3.13Å; T34-P37 WeakPolarHBondContact O-CG 3.5Å; P37-A41 WeakPolarHBondContact O-CB 3.35Å; P37-A41 PolarHBondContact O-N 3.01Å; P37-V54 HydrophobicContact CB-CG1 4.12Å; P37-I64 HydrophobicContact CB-CD1 4.39Å; P37-I64 HydrophobicContact CG-CD1 3.67Å; P37-I64 HydrophobicContact CG-CG1 4.39Å; P37-P98 WeakPolarHBondContact CD-O 3.46Å
38	Y	98.8	Very high	97.9	Very high	35 Å²	35	33 Å²	33	14%	0.137	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-51.3	173.1	161.5	-99.9	0	0	0	112	G35 A36 S40 A41 I42 Y67 L71 L277	G35-Y38 WeakPolarHBondContact O-CB 3.49Å; G35-Y38 PolarHBondContact O-N 2.79Å; A36-Y38 PolarHBondContact O-N 2.92Å; Y38-S40 VanDerWaalsContact C-N 3.3Å; Y38-S40 PolarHBondContact O-N 3.07Å; Y38-A41 PolarHBondContact O-N 2.87Å; Y38-A41 VanDerWaalsContact O-N 3.16Å; Y38-I42 HydrophobicContact CD1-CG2 4.46Å; Y38-I42 HydrophobicContact CD2-CB 4.25Å; Y38-I42 HydrophobicContact CD2-CG2 4.42Å; Y38-I42 HydrophobicContact CE1-CG2 4.07Å; Y38-I42 HydrophobicContact CE2-CB 3.85Å; Y38-I42 HydrophobicContact CE2-CG1 3.98Å; Y38-I42 HydrophobicContact CE2-CG2 4.03Å; Y38-I42 WeakPolarHBondContact O-CB 3.39Å; Y38-I42 WeakPolarHBondContact O-CG2 3.43Å; Y38-I42 PolarHBondContact O-N 3.38Å; Y38-Y67 HydrophobicContact CD1-CD2 4.22Å; Y38-Y67 HydrophobicContact CD2-CD2 4.15Å; Y38-Y67 HydrophobicContact CD2-CG 4.29Å; Y38-Y67 AromaticContact CG-CD2 3.76Å; Y38-Y67 HydrophobicContact CG-CD2 3.76Å; Y38-Y67 HydrophobicContact CG-CG 4.26Å; Y38-L71 HydrophobicContact CD2-CD1 3.86Å; Y38-L71 HydrophobicContact CE2-CD1 4.49Å; Y38-L277 HydrophobicContact CE1-CD1 4.44Å
39	F	98.8	Very high	97.9	Very high	27 Å²	27	33.4 Å²	33.4	12%	0.118	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-38.6	-179.2	-77	-56.9	0	0	0	112.4	G35 A36 S43 D217 T273 T274 L277	G35-F39 WeakPolarHBondContact O-CD2 3.43Å; G35-F39 PolarHBondContact O-N 2.84Å; A36-F39 PolarHBondContact O-N 2.91Å; F39-S43 WeakPolarHBondContact O-CB 3.33Å; F39-S43 PolarHBondContact O-N 3.43Å; F39-S43 VanDerWaalsContact O-N 3.11Å; F39-S43 PolarHBondContact O-OG 2.75Å; F39-D217 HydrophobicContact CB-CB 3.65Å; F39-T273 HydrophobicContact CD1-CG2 3.64Å; F39-T273 HydrophobicContact CD2-CG2 4.14Å; F39-T273 HydrophobicContact CE1-CG2 3.63Å; F39-T273 HydrophobicContact CE2-CG2 4.13Å; F39-T273 HydrophobicContact CG-CG2 3.92Å; F39-T273 HydrophobicContact CZ-CG2 3.9Å; F39-T274 HydrophobicContact CE1-CG2 3.76Å; F39-T274 HydrophobicContact CZ-CG2 3.72Å; F39-L277 HydrophobicContact CD1-CD1 4.22Å; F39-L277 HydrophobicContact CD1-CD2 4.48Å; F39-L277 HydrophobicContact CE1-CD1 4.24Å
40	S	98.9	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-45.5	173.6	-167.2	0	0	0	0	111.6	A36 Y38 S43 A44 D217 S220 G221	A36-S40 PolarHBondContact O-N 3.03Å; A36-S40 VanDerWaalsContact O-N 3.1Å; Y38-S40 VanDerWaalsContact C-N 3.3Å; Y38-S40 PolarHBondContact O-N 3.07Å; S40-S43 PolarHBondContact O-OG 3.16Å; S40-A44 PolarHBondContact O-N 3.21Å; S40-D217 WeakPolarHBondContact CA-O 3.41Å; S40-D217 WeakPolarHBondContact CB-O 3.43Å; S40-S220 PolarHBondContact OG-OG 2.79Å; S40-S220 VanDerWaalsContact OG-OG 3.1Å; S40-G221 WeakPolarHBondContact O-CA 3.34Å; S40-G221 WeakPolarHBondContact OG-CA 3.5Å; S40-G221 PolarHBondContact OG-N 2.87Å
41	A	98.9	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.9	-45	-177.3	0	0	0	0	0	113.2	V26 P37 Y38 S43 A44 L45 V52 V54 L71	V26-A41 HydrophobicContact CB-CB 4.38Å; V26-A41 HydrophobicContact CG2-CB 3.94Å; P37-A41 WeakPolarHBondContact O-CB 3.35Å; P37-A41 PolarHBondContact O-N 3.01Å; Y38-A41 PolarHBondContact O-N 2.87Å; Y38-A41 VanDerWaalsContact O-N 3.16Å; A41-S43 VanDerWaalsContact C-N 3.34Å; A41-S43 PolarHBondContact O-N 3.33Å; A41-A44 WeakPolarHBondContact O-CB 3.06Å; A41-A44 PolarHBondContact O-N 3Å; A41-L45 PolarHBondContact O-N 3.2Å; A41-V52 HydrophobicContact CB-CG1 3.67Å; A41-V54 HydrophobicContact CB-CG2 3.45Å; A41-V54 VanDerWaalsContact CB-CG2 3.45Å; A41-L71 HydrophobicContact CB-CD1 3.87Å; A41-L71 HydrophobicContact CB-CD2 3.74Å; A41-L71 HydrophobicContact CB-CG 4.45Å
42	I	98.8	Very high	98.1	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.062	16%	0.16	C	C	.	.	H	α-helix	trans	-69.1	-34.4	-178.7	-160.9	57.3	0	0	0	111.2	Y38 A44 L45 H46 L277	Y38-I42 HydrophobicContact CD1-CG2 4.46Å; Y38-I42 HydrophobicContact CD2-CB 4.25Å; Y38-I42 HydrophobicContact CD2-CG2 4.42Å; Y38-I42 HydrophobicContact CE1-CG2 4.07Å; Y38-I42 HydrophobicContact CE2-CB 3.85Å; Y38-I42 HydrophobicContact CE2-CG1 3.98Å; Y38-I42 HydrophobicContact CE2-CG2 4.03Å; Y38-I42 WeakPolarHBondContact O-CB 3.39Å; Y38-I42 WeakPolarHBondContact O-CG2 3.43Å; Y38-I42 PolarHBondContact O-N 3.38Å; I42-A44 VanDerWaalsContact C-N 3.33Å; I42-A44 PolarHBondContact O-N 3.47Å; I42-L45 HydrophobicContact CD1-CD1 4.05Å; I42-L45 WeakPolarHBondContact O-CB 3.32Å; I42-L45 PolarHBondContact O-N 3.3Å; I42-H46 PolarHBondContact O-CD2 3.47Å; I42-H46 VanDerWaalsContact O-CD2 3.27Å; I42-H46 PolarHBondContact O-N 3.09Å; I42-L277 HydrophobicContact CG2-CD1 3.65Å; I42-L277 HydrophobicContact CG2-CD2 3.8Å; I42-L277 HydrophobicContact CG2-CG 4.39Å
43	S	98.8	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.3	-31.9	175	63.1	0	0	0	0	112.5	F39 S40 A41 H46 C47 I218	F39-S43 WeakPolarHBondContact O-CB 3.33Å; F39-S43 PolarHBondContact O-N 3.43Å; F39-S43 VanDerWaalsContact O-N 3.11Å; F39-S43 PolarHBondContact O-OG 2.75Å; S40-S43 PolarHBondContact O-OG 3.16Å; A41-S43 VanDerWaalsContact C-N 3.34Å; A41-S43 PolarHBondContact O-N 3.33Å; S43-H46 PolarHBondContact O-N 2.91Å; S43-C47 WeakPolarHBondContact O-CB 3.47Å; S43-C47 PolarHBondContact O-N 3.3Å; S43-I218 WeakPolarHBondContact OG-CA 3.42Å; S43-I218 PolarHBondContact OG-O 2.72Å
44	A	98.8	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.4	-40.7	171.8	0	0	0	0	0	112.1	I24 S40 A41 I42 C47 G48 A49 V52 V225	I24-A44 HydrophobicContact CG2-CB 4.32Å; S40-A44 PolarHBondContact O-N 3.21Å; A41-A44 WeakPolarHBondContact O-CB 3.06Å; A41-A44 PolarHBondContact O-N 3Å; I42-A44 VanDerWaalsContact C-N 3.33Å; I42-A44 PolarHBondContact O-N 3.47Å; A44-C47 WeakPolarHBondContact O-CB 3.42Å; A44-C47 PolarHBondContact O-N 2.63Å; A44-G48 PolarHBondContact O-N 3.2Å; A44-A49 WeakPolarHBondContact O-CB 3.43Å; A44-A49 PolarHBondContact O-N 3.38Å; A44-V52 HydrophobicContact CB-CG2 3.88Å; A44-V225 HydrophobicContact CB-CG2 3.7Å
45	L	98.4	Very high	98.4	Very high	38 Å²	38	18.3 Å²	18.3	20%	0.199	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-50.1	171.4	-74.9	176.7	0	0	0	111.3	A41 I42 C47 G48 A49 V52 E70 L71	A41-L45 PolarHBondContact O-N 3.2Å; I42-L45 HydrophobicContact CD1-CD1 4.05Å; I42-L45 WeakPolarHBondContact O-CB 3.32Å; I42-L45 PolarHBondContact O-N 3.3Å; L45-C47 PolarHBondContact O-N 3.28Å; L45-G48 PolarHBondContact O-N 2.9Å; L45-A49 WeakPolarHBondContact CD2-O 3.37Å; L45-V52 HydrophobicContact CB-CG2 4.46Å; L45-V52 HydrophobicContact CD2-CB 4.12Å; L45-V52 HydrophobicContact CD2-CG2 3.57Å; L45-V52 HydrophobicContact CG-CB 3.98Å; L45-V52 HydrophobicContact CG-CG2 3.55Å; L45-E70 HydrophobicContact CD1-CB 3.69Å; L45-L71 HydrophobicContact CD1-CD2 3.65Å; L45-L71 HydrophobicContact CG-CD2 4.36Å
46	H	98.1	Very high	98.4	Very high	88 Å²	88	17.4 Å²	17.4	41%	0.407	10%	0.097	S	C	.	.	H	α-helix	trans	-61.1	-27.7	177.8	-85.2	-79.4	0	0	0	113.7	I42 S43 G48 L280	I42-H46 PolarHBondContact O-CD2 3.47Å; I42-H46 VanDerWaalsContact O-CD2 3.27Å; I42-H46 PolarHBondContact O-N 3.09Å; S43-H46 PolarHBondContact O-N 2.91Å; H46-G48 VanDerWaalsContact C-N 3.3Å; H46-L280 HydrophobicContact CB-CB 4.2Å; H46-L280 HydrophobicContact CB-CD1 3.58Å
47	C	97.7	Very high	98.4	Very high	7 Å²	7	16.5 Å²	16.5	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-70.7	-27.5	174.9	-159.6	0	0	0	0	112.2	S43 A44 L45 T222 V225 W229	S43-C47 WeakPolarHBondContact O-CB 3.47Å; S43-C47 PolarHBondContact O-N 3.3Å; A44-C47 WeakPolarHBondContact O-CB 3.42Å; A44-C47 PolarHBondContact O-N 2.63Å; L45-C47 PolarHBondContact O-N 3.28Å; C47-T222 HydrophobicContact CB-CG2 4.05Å; C47-V225 HydrophobicContact CB-CB 4.25Å; C47-V225 HydrophobicContact CB-CG1 4.27Å; C47-V225 HydrophobicContact CB-CG2 4.03Å; C47-W229 WeakPolarHBondContact O-CH2 3.47Å
48	G	96.4	Very high	98.3	Very high	28 Å²	28	19 Å²	19	29%	0.289	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	125.5	13.1	179.5	0	0	0	0	0	115.5	M21 A44 L45 H46	M21-G48 WeakPolarHBondContact CB-O 3.43Å; A44-G48 PolarHBondContact O-N 3.2Å; L45-G48 PolarHBondContact O-N 2.9Å; H46-G48 VanDerWaalsContact C-N 3.3Å
49	A	98	Very high	98.2	Very high	8 Å²	8	20.2 Å²	20.2	7%	0.066	12%	0.123	C	C	.	.			trans	-68.2	140.9	169.5	0	0	0	0	0	111.1	I24 A44 L45 V52 V225	I24-A49 HydrophobicContact CG1-CB 3.74Å; A44-A49 WeakPolarHBondContact O-CB 3.43Å; A44-A49 PolarHBondContact O-N 3.38Å; L45-A49 WeakPolarHBondContact CD2-O 3.37Å; A49-V52 HydrophobicContact CB-CG2 3.91Å; A49-V225 HydrophobicContact CB-CG2 4.03Å
50	D	97.9	Very high	98.2	Very high	57 Å²	57	18.9 Å²	18.9	31%	0.305	12%	0.117	S	C	.	.	S	Bend	trans	-77.6	-34.2	-179.4	-71.7	-35.5	0	0	0	113.2	G19 Q20 M21 G22	G19-D50 VanDerWaalsContact C-OD2 3.23Å; G19-D50 VanDerWaalsContact CA-OD2 3.22Å; G19-D50 WeakPolarHBondContact CA-OD2 3.45Å; G19-D50 PolarHBondContact N-OD2 2.89Å; Q20-D50 PolarHBondContact N-OD2 3.46Å; Q20-D50 VanDerWaalsContact N-OD2 3.12Å; M21-D50 WeakPolarHBondContact CB-OD2 3.46Å; M21-D50 PolarHBondContact N-OD2 3.34Å; G22-D50 PolarHBondContact O-N 3.18Å
51	L	98.2	Very high	98.2	Very high	33 Å²	33	19 Å²	19	17%	0.173	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	130	-177.4	-73.8	175.7	0	0	0	109.3	K18 G22 R23 I24 I72	K18-L51 HydrophobicContact CG-CD1 4.42Å; K18-L51 HydrophobicContact CG-CG 4.45Å; G22-L51 PolarHBondContact O-N 3.13Å; G22-L51 VanDerWaalsContact O-N 3.13Å; R23-L51 CarbonylContact C-O 3.54Å; R23-L51 VanDerWaalsContact CA-O 3.32Å; R23-L51 WeakPolarHBondContact CA-O 3.43Å; R23-L51 HydrophobicContact CG-CB 4.16Å; R23-L51 HydrophobicContact CG-CD1 4.15Å; I24-L51 PolarHBondContact N-O 2.98Å; L51-I72 HydrophobicContact CD2-CD1 3.93Å
52	V	98.7	Very high	98.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.5	174.6	-175.6	0	0	0	0	110.4	I24 A41 A44 L45 A49 L71 I72	I24-V52 HydrophobicContact CB-CG2 4.27Å; I24-V52 CarbonylContact O-C 3.41Å; I24-V52 WeakPolarHBondContact O-CA 3.5Å; A41-V52 HydrophobicContact CB-CG1 3.67Å; A44-V52 HydrophobicContact CB-CG2 3.88Å; L45-V52 HydrophobicContact CB-CG2 4.46Å; L45-V52 HydrophobicContact CD2-CB 4.12Å; L45-V52 HydrophobicContact CD2-CG2 3.57Å; L45-V52 HydrophobicContact CG-CB 3.98Å; L45-V52 HydrophobicContact CG-CG2 3.55Å; A49-V52 HydrophobicContact CB-CG2 3.91Å; V52-L71 HydrophobicContact CB-CD2 4.12Å; V52-L71 HydrophobicContact CG1-CD2 4.22Å; V52-I72 PolarHBondContact O-N 2.91Å
53	H	98.7	Very high	98.1	Very high	13 Å²	13	24.9 Å²	24.9	6%	0.06	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.1	176.8	-63.6	-82.6	0	0	0	110	I24 A25 V26 I72 H74 V91	I24-H53 PolarHBondContact O-N 3.14Å; A25-H53 CarbonylContact C-O 3.54Å; A25-H53 VanDerWaalsContact CA-O 3.3Å; A25-H53 WeakPolarHBondContact CA-O 3.26Å; A25-H53 HydrophobicContact CB-CB 4.47Å; V26-H53 PolarHBondContact N-O 2.83Å; H53-I72 CarbonylContact C-O 3.53Å; H53-I72 VanDerWaalsContact CA-O 3.26Å; H53-I72 WeakPolarHBondContact CA-O 3.37Å; H53-I72 VanDerWaalsContact CE1-CD1 3.45Å; H53-I72 WeakPolarHBondContact CE1-CD1 3.48Å; H53-I72 WeakPolarHBondContact ND1-CB 3.47Å; H53-I72 WeakPolarHBondContact ND1-CG2 3.49Å; H53-H74 AromaticContact CE1-NE2 3.92Å; H53-H74 AromaticContact CG-NE2 3.63Å; H53-H74 AromaticContact ND1-CD2 3.94Å; H53-H74 AromaticContact ND1-CE1 3.79Å; H53-H74 AromaticContact ND1-NE2 2.94Å; H53-H74 PolarHBondContact ND1-NE2 3.36Å; H53-V91 HydrophobicContact CB-CG1 4.45Å; H53-V91 VanDerWaalsContact CD2-CG1 3.47Å; H53-V91 WeakPolarHBondContact CD2-CG1 3.4Å
54	V	98.8	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.2	170.9	-177.2	0	0	0	0	108	V26 P37 A41 C56 I64 L71 I72 V73 H74	V26-V54 CarbonylContact O-C 3.59Å; V26-V54 WeakPolarHBondContact O-CA 3.35Å; P37-V54 HydrophobicContact CB-CG1 4.12Å; A41-V54 HydrophobicContact CB-CG2 3.45Å; A41-V54 VanDerWaalsContact CB-CG2 3.45Å; V54-C56 HydrophobicContact CG1-CB 4.13Å; V54-I64 HydrophobicContact CG1-CD1 4.22Å; V54-I64 HydrophobicContact CG1-CG2 4.41Å; V54-L71 HydrophobicContact CG2-CB 4.49Å; V54-L71 HydrophobicContact CG2-CD1 4.28Å; V54-I72 PolarHBondContact N-O 3.18Å; V54-V73 HydrophobicContact CB-CG1 4.4Å; V54-V73 HydrophobicContact CB-CG2 4.31Å; V54-V73 CarbonylContact O-C 3.57Å; V54-V73 WeakPolarHBondContact O-CA 3.26Å; V54-H74 PolarHBondContact O-N 3.07Å
55	V	98.6	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109.7	173.1	179.6	0	0	0	0	107.5	V26 V27 G28 H74 V76 L77 A84 C87 M88	V26-V55 PolarHBondContact O-N 2.97Å; V27-V55 WeakPolarHBondContact CA-O 3.47Å; V27-V55 HydrophobicContact CG2-CB 4.24Å; G28-V55 PolarHBondContact N-O 3.23Å; V55-H74 HydrophobicContact CG2-CB 4.32Å; V55-V76 HydrophobicContact CG1-CG2 3.9Å; V55-L77 HydrophobicContact CG1-CB 4.18Å; V55-L77 HydrophobicContact CG1-CD1 4.36Å; V55-A84 HydrophobicContact CG1-CB 4.04Å; V55-C87 HydrophobicContact CG2-CB 3.91Å; V55-M88 HydrophobicContact CG2-CE 3.7Å
56	C	98.4	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	172.7	-169.2	69.2	0	0	0	0	112.1	G28 V54 S60 I64 H74 P75 V76 L77	G28-C56 WeakPolarHBondContact O-CA 3.42Å; G28-C56 WeakPolarHBondContact O-CB 3.32Å; V54-C56 HydrophobicContact CG1-CB 4.13Å; C56-S60 WeakPolarHBondContact CB-OG 3.34Å; C56-S60 PolarHBondContact SG-OG 3.24Å; C56-I64 HydrophobicContact CB-CD1 4Å; C56-H74 PolarHBondContact N-O 3.39Å; C56-H74 VanDerWaalsContact N-O 3.08Å; C56-P75 CarbonylContact O-C 3.52Å; C56-V76 PolarHBondContact O-N 3.02Å; C56-V76 VanDerWaalsContact O-N 3.16Å; C56-L77 VanDerWaalsContact O-CB 3.23Å; C56-L77 WeakPolarHBondContact O-CB 3.28Å; C56-L77 PolarHBondContact O-N 3.18Å
57	S	97.9	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.203	C	C	.	.			trans	-59.8	152.6	169.8	70.5	0	0	0	0	111.4	G29 S59 S60 S61 D78	G29-S57 WeakPolarHBondContact O-CB 3.46Å; G29-S57 PolarHBondContact O-N 3.05Å; G29-S57 VanDerWaalsContact O-N 3.08Å; G29-S57 PolarHBondContact O-OG 2.74Å; S57-S59 PolarHBondContact O-N 2.98Å; S57-S59 PolarHBondContact OG-OG 3.07Å; S57-S60 PolarHBondContact N-OG 2.99Å; S57-S60 PolarHBondContact O-N 3.34Å; S57-S60 PolarHBondContact O-OG 2.73Å; S57-S60 WeakPolarHBondContact OG-CB 3.06Å; S57-S60 PolarHBondContact OG-N 3.22Å; S57-S60 PolarHBondContact OG-OG 3.2Å; S57-S61 PolarHBondContact O-N 3.14Å; S57-D78 WeakPolarHBondContact CA-OD1 3.2Å; S57-D78 WeakPolarHBondContact CB-OD2 3.5Å
58	A	97.6	Very high	98.1	Very high	52 Å²	52	34 Å²	34	43%	0.43	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.1	175.8	0	0	0	0	0	112.1	P62 P75 D78	A58-P62 WeakPolarHBondContact O-CD 3.43Å; A58-P75 HydrophobicContact CB-CB 4.35Å; A58-D78 PolarHBondContact N-OD1 2.96Å; A58-D78 PolarHBondContact N-OD2 3.05Å; A58-D78 VanDerWaalsContact N-OD2 3.14Å
59	S	96.7	Very high	98.1	Very high	60 Å²	60	38.5 Å²	38.5	42%	0.42	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-33.6	-179.4	57.2	0	0	0	0	114.2	S57	S57-S59 PolarHBondContact O-N 2.98Å; S57-S59 PolarHBondContact OG-OG 3.07Å
60	S	97.7	Very high	98.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-26	-178.4	59.3	0	0	0	0	113.3	G29 S30 C56 S57 V63 I64	G29-S60 PolarHBondContact O-OG 3.36Å; S30-S60 VanDerWaalsContact O-CB 3.29Å; S30-S60 WeakPolarHBondContact O-CB 3.38Å; C56-S60 WeakPolarHBondContact CB-OG 3.34Å; C56-S60 PolarHBondContact SG-OG 3.24Å; S57-S60 PolarHBondContact N-OG 2.99Å; S57-S60 PolarHBondContact O-N 3.34Å; S57-S60 PolarHBondContact O-OG 2.73Å; S57-S60 WeakPolarHBondContact OG-CB 3.06Å; S57-S60 PolarHBondContact OG-N 3.22Å; S57-S60 PolarHBondContact OG-OG 3.2Å; S60-V63 PolarHBondContact O-N 3.17Å; S60-V63 VanDerWaalsContact O-N 3.15Å; S60-I64 WeakPolarHBondContact O-CG1 3.26Å; S60-I64 PolarHBondContact O-N 2.93Å; S60-I64 VanDerWaalsContact O-N 3.12Å
61	S	98.3	Very high	98.1	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-54.8	-46.7	-173	-176.2	0	0	0	0	115.1	S57 V63 I64 K65 V73	S57-S61 PolarHBondContact O-N 3.14Å; S61-V63 VanDerWaalsContact C-N 3.26Å; S61-V63 PolarHBondContact O-N 3.03Å; S61-I64 PolarHBondContact O-N 3.48Å; S61-K65 WeakPolarHBondContact O-CB 3.44Å; S61-K65 VanDerWaalsContact O-CG 3.26Å; S61-K65 WeakPolarHBondContact O-CG 3.4Å; S61-K65 PolarHBondContact O-N 3.25Å; S61-K65 VanDerWaalsContact OG-CE 3.26Å; S61-K65 WeakPolarHBondContact OG-CE 3.39Å; S61-K65 PolarHBondContact OG-NZ 2.99Å; S61-V73 WeakPolarHBondContact OG-CG1 3.39Å
62	P	98.3	Very high	98.1	Very high	79 Å²	79	43.9 Å²	43.9	51%	0.513	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-37	179.2	-24.2	34.8	0	0	0	113.2	A58 S66	A58-P62 WeakPolarHBondContact O-CD 3.43Å; P62-S66 PolarHBondContact O-N 2.86Å; P62-S66 PolarHBondContact O-OG 3.14Å
63	V	98.5	Very high	98.1	Very high	56 Å²	56	44.5 Å²	44.5	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-72	-46.7	-179.3	-179.4	0	0	0	0	110.4	T34 S60 S61 K65 S66 Y67	T34-V63 HydrophobicContact CG2-CB 3.85Å; T34-V63 HydrophobicContact CG2-CG1 3.91Å; T34-V63 HydrophobicContact CG2-CG2 4.28Å; S60-V63 PolarHBondContact O-N 3.17Å; S60-V63 VanDerWaalsContact O-N 3.15Å; S61-V63 VanDerWaalsContact C-N 3.26Å; S61-V63 PolarHBondContact O-N 3.03Å; V63-K65 VanDerWaalsContact C-N 3.34Å; V63-K65 PolarHBondContact O-N 3.26Å; V63-S66 WeakPolarHBondContact O-CA 3.41Å; V63-S66 WeakPolarHBondContact O-CB 3.46Å; V63-S66 PolarHBondContact O-N 2.82Å; V63-Y67 HydrophobicContact CG1-CE1 3.96Å; V63-Y67 HydrophobicContact CG1-CE2 3.84Å; V63-Y67 VanDerWaalsContact CG1-CZ 3.46Å; V63-Y67 WeakPolarHBondContact CG1-OH 3.33Å; V63-Y67 PolarHBondContact O-N 3.46Å
64	I	98.5	Very high	98.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-43.5	178.9	-61.1	169.4	0	0	0	110.7	P37 V54 C56 S60 S61 S66 Y67 L71 V73	P37-I64 HydrophobicContact CB-CD1 4.39Å; P37-I64 HydrophobicContact CG-CD1 3.67Å; P37-I64 HydrophobicContact CG-CG1 4.39Å; V54-I64 HydrophobicContact CG1-CD1 4.22Å; V54-I64 HydrophobicContact CG1-CG2 4.41Å; C56-I64 HydrophobicContact CB-CD1 4Å; S60-I64 WeakPolarHBondContact O-CG1 3.26Å; S60-I64 PolarHBondContact O-N 2.93Å; S60-I64 VanDerWaalsContact O-N 3.12Å; S61-I64 PolarHBondContact O-N 3.48Å; I64-S66 PolarHBondContact O-N 2.85Å; I64-Y67 PolarHBondContact O-N 2.89Å; I64-L71 HydrophobicContact CG2-CD1 4.49Å; I64-V73 HydrophobicContact CB-CG1 4.35Å; I64-V73 HydrophobicContact CB-CG2 4.4Å; I64-V73 HydrophobicContact CG2-CG1 4.32Å; I64-V73 HydrophobicContact CG2-CG2 3.74Å
65	K	98.5	Very high	98.1	Very high	104 Å²	104	48.6 Å²	48.6	45%	0.452	28%	0.278	S	S	.	.	H	α-helix	trans	-59.3	-29.5	174.7	-73	173.7	178.8	176.1	0	112.9	S61 V63 V73	S61-K65 WeakPolarHBondContact O-CB 3.44Å; S61-K65 VanDerWaalsContact O-CG 3.26Å; S61-K65 WeakPolarHBondContact O-CG 3.4Å; S61-K65 PolarHBondContact O-N 3.25Å; S61-K65 VanDerWaalsContact OG-CE 3.26Å; S61-K65 WeakPolarHBondContact OG-CE 3.39Å; S61-K65 PolarHBondContact OG-NZ 2.99Å; V63-K65 VanDerWaalsContact C-N 3.34Å; V63-K65 PolarHBondContact O-N 3.26Å; K65-V73 HydrophobicContact CD-CB 4.33Å; K65-V73 WeakPolarHBondContact CE-O 3.45Å; K65-V73 HydrophobicContact CG-CB 3.63Å; K65-V73 HydrophobicContact CG-CG1 4.12Å; K65-V73 HydrophobicContact CG-CG2 3.74Å
66	S	98.4	Very high	98	Very high	104 Å²	104	49.5 Å²	49.5	73%	0.727	28%	0.284	S	S	*	.	H	α-helix	trans	-80.7	-19.5	178.4	-57.7	0	0	0	0	113	P62 V63 I64	P62-S66 PolarHBondContact O-N 2.86Å; P62-S66 PolarHBondContact O-OG 3.14Å; V63-S66 WeakPolarHBondContact O-CA 3.41Å; V63-S66 WeakPolarHBondContact O-CB 3.46Å; V63-S66 PolarHBondContact O-N 2.82Å; I64-S66 PolarHBondContact O-N 2.85Å
67	Y	98.1	Very high	98	Very high	106 Å²	106	49.5 Å²	49.5	42%	0.416	28%	0.284	S	S	.	.	H	α-helix	trans	-76.7	-32.5	175.6	-64.4	-30.5	0	0	0	113.2	T34 Y38 V63 I64	T34-Y67 PolarHBondContact OG1-OH 3.46Å; T34-Y67 VanDerWaalsContact OG1-OH 3.08Å; Y38-Y67 HydrophobicContact CD1-CD2 4.22Å; Y38-Y67 HydrophobicContact CD2-CD2 4.15Å; Y38-Y67 HydrophobicContact CD2-CG 4.29Å; Y38-Y67 AromaticContact CG-CD2 3.76Å; Y38-Y67 HydrophobicContact CG-CD2 3.76Å; Y38-Y67 HydrophobicContact CG-CG 4.26Å; V63-Y67 HydrophobicContact CG1-CE1 3.96Å; V63-Y67 HydrophobicContact CG1-CE2 3.84Å; V63-Y67 VanDerWaalsContact CG1-CZ 3.46Å; V63-Y67 WeakPolarHBondContact CG1-OH 3.33Å; V63-Y67 PolarHBondContact O-N 3.46Å; I64-Y67 PolarHBondContact O-N 2.89Å
68	S	97.5	Very high	97.9	Very high	11 Å²	11	52.6 Å²	52.6	8%	0.077	30%	0.301	C	S	.	.			trans	-156.2	132.8	176.3	176.4	0	0	0	0	112.3	E70	S68-E70 VanDerWaalsContact C-N 3.25Å; S68-E70 PolarHBondContact O-N 3.05Å; S68-E70 WeakPolarHBondContact OG-CB 3.32Å; S68-E70 PolarHBondContact OG-N 2.94Å; S68-E70 VanDerWaalsContact OG-N 3.14Å
69	P	96.9	Very high	97.8	Very high	123 Å²	123	51.9 Å²	51.9	80%	0.799	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.1	172.6	33.4	-36	0	0	0	113.4
70	E	97.9	Very high	97.7	Very high	135 Å²	135	54.6 Å²	54.6	63%	0.631	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.3	-177.8	-60.7	-65.5	136.1	0	0	112.7	L45 S68	L45-E70 HydrophobicContact CD1-CB 3.69Å; S68-E70 VanDerWaalsContact C-N 3.25Å; S68-E70 PolarHBondContact O-N 3.05Å; S68-E70 WeakPolarHBondContact OG-CB 3.32Å; S68-E70 PolarHBondContact OG-N 2.94Å; S68-E70 VanDerWaalsContact OG-N 3.14Å
71	L	98.5	Very high	97.6	Very high	11 Å²	11	57 Å²	57	6%	0.058	32%	0.32	C	S	.	.	S	Bend	trans	-83.2	132.1	-175	-61.3	-179.2	0	0	0	111.5	Y38 A41 L45 V52 V54 I64 V73	Y38-L71 HydrophobicContact CD2-CD1 3.86Å; Y38-L71 HydrophobicContact CE2-CD1 4.49Å; A41-L71 HydrophobicContact CB-CD1 3.87Å; A41-L71 HydrophobicContact CB-CD2 3.74Å; A41-L71 HydrophobicContact CB-CG 4.45Å; L45-L71 HydrophobicContact CD1-CD2 3.65Å; L45-L71 HydrophobicContact CG-CD2 4.36Å; V52-L71 HydrophobicContact CB-CD2 4.12Å; V52-L71 HydrophobicContact CG1-CD2 4.22Å; V54-L71 HydrophobicContact CG2-CB 4.49Å; V54-L71 HydrophobicContact CG2-CD1 4.28Å; I64-L71 HydrophobicContact CG2-CD1 4.49Å; L71-V73 HydrophobicContact CB-CG2 4.1Å; L71-V73 PolarHBondContact O-N 3.37Å
72	I	98.5	Very high	97.5	Very high	65 Å²	65	59.3 Å²	59.3	33%	0.333	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	96.8	174.7	-55.9	170.6	0	0	0	108.7	L51 V52 H53 V54 H74	L51-I72 HydrophobicContact CD2-CD1 3.93Å; V52-I72 PolarHBondContact O-N 2.91Å; H53-I72 CarbonylContact C-O 3.53Å; H53-I72 VanDerWaalsContact CA-O 3.26Å; H53-I72 WeakPolarHBondContact CA-O 3.37Å; H53-I72 VanDerWaalsContact CE1-CD1 3.45Å; H53-I72 WeakPolarHBondContact CE1-CD1 3.48Å; H53-I72 WeakPolarHBondContact ND1-CB 3.47Å; H53-I72 WeakPolarHBondContact ND1-CG2 3.49Å; V54-I72 PolarHBondContact N-O 3.18Å; I72-H74 PolarHBondContact O-CD2 3.2Å
73	V	98.6	Very high	97.4	Very high	13 Å²	13	60 Å²	60	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.7	-173.1	-173.1	0	0	0	0	112.1	V54 S61 I64 K65 L71	V54-V73 HydrophobicContact CB-CG1 4.4Å; V54-V73 HydrophobicContact CB-CG2 4.31Å; V54-V73 CarbonylContact O-C 3.57Å; V54-V73 WeakPolarHBondContact O-CA 3.26Å; S61-V73 WeakPolarHBondContact OG-CG1 3.39Å; I64-V73 HydrophobicContact CB-CG1 4.35Å; I64-V73 HydrophobicContact CB-CG2 4.4Å; I64-V73 HydrophobicContact CG2-CG1 4.32Å; I64-V73 HydrophobicContact CG2-CG2 3.74Å; K65-V73 HydrophobicContact CD-CB 4.33Å; K65-V73 WeakPolarHBondContact CE-O 3.45Å; K65-V73 HydrophobicContact CG-CB 3.63Å; K65-V73 HydrophobicContact CG-CG1 4.12Å; K65-V73 HydrophobicContact CG-CG2 3.74Å; L71-V73 HydrophobicContact CB-CG2 4.1Å; L71-V73 PolarHBondContact O-N 3.37Å
74	H	98.3	Very high	97.4	Very high	44 Å²	44	57.4 Å²	57.4	20%	0.204	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	107.3	-178.2	-53.1	-81.4	0	0	0	111.1	H53 V54 V55 C56 I72 V76 C87	H53-H74 AromaticContact CE1-NE2 3.92Å; H53-H74 AromaticContact CG-NE2 3.63Å; H53-H74 AromaticContact ND1-CD2 3.94Å; H53-H74 AromaticContact ND1-CE1 3.79Å; H53-H74 AromaticContact ND1-NE2 2.94Å; H53-H74 PolarHBondContact ND1-NE2 3.36Å; V54-H74 PolarHBondContact O-N 3.07Å; V55-H74 HydrophobicContact CG2-CB 4.32Å; C56-H74 PolarHBondContact N-O 3.39Å; C56-H74 VanDerWaalsContact N-O 3.08Å; I72-H74 PolarHBondContact O-CD2 3.2Å; H74-V76 VanDerWaalsContact C-N 3.26Å; H74-V76 HydrophobicContact CB-CG2 3.98Å; H74-V76 PolarHBondContact O-N 3.29Å; H74-C87 VanDerWaalsContact CD2-SG 3.51Å; H74-C87 PolarHBondContact NE2-SG 3.19Å; H74-C87 VanDerWaalsContact NE2-SG 3.37Å
75	P	97.7	Very high	97.4	Very high	55 Å²	55	58.4 Å²	58.4	36%	0.357	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	62.4	179.9	32.6	-34.7	0	0	0	112.4	C56 A58	C56-P75 CarbonylContact O-C 3.52Å; A58-P75 HydrophobicContact CB-CB 4.35Å
76	V	97.7	Very high	97.3	Very high	19 Å²	19	59.5 Å²	59.5	12%	0.115	33%	0.331	C	S	.	.			trans	-133	-0.1	-168.4	-58.5	0	0	0	0	114.2	V55 C56 H74 D78 G79 E83 A84	V55-V76 HydrophobicContact CG1-CG2 3.9Å; C56-V76 PolarHBondContact O-N 3.02Å; C56-V76 VanDerWaalsContact O-N 3.16Å; H74-V76 VanDerWaalsContact C-N 3.26Å; H74-V76 HydrophobicContact CB-CG2 3.98Å; H74-V76 PolarHBondContact O-N 3.29Å; V76-D78 PolarHBondContact O-N 2.75Å; V76-G79 PolarHBondContact O-N 3.12Å; V76-E83 HydrophobicContact CB-CB 3.9Å; V76-E83 HydrophobicContact CG1-CB 3.86Å; V76-E83 HydrophobicContact CG2-CB 4.35Å; V76-A84 HydrophobicContact CG2-CB 3.98Å
77	L	97.7	Very high	97.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-38.3	-174.2	-175.1	56.7	0	0	0	112.8	V27 V55 C56 G79 L100 N105 N108 L112	V27-L77 HydrophobicContact CG1-CD1 3.65Å; V27-L77 HydrophobicContact CG1-CD2 4.11Å; V55-L77 HydrophobicContact CG1-CB 4.18Å; V55-L77 HydrophobicContact CG1-CD1 4.36Å; C56-L77 VanDerWaalsContact O-CB 3.23Å; C56-L77 WeakPolarHBondContact O-CB 3.28Å; C56-L77 PolarHBondContact O-N 3.18Å; L77-G79 VanDerWaalsContact C-N 3.31Å; L77-L100 HydrophobicContact CD2-CD1 3.78Å; L77-N105 HydrophobicContact CD2-CB 3.93Å; L77-N105 HydrophobicContact CG-CB 4.16Å; L77-N108 HydrophobicContact CD1-CB 4.42Å; L77-N108 VanDerWaalsContact O-CB 3.23Å; L77-N108 WeakPolarHBondContact O-CB 3.4Å; L77-N108 PolarHBondContact O-ND2 3.46Å; L77-L112 HydrophobicContact CD1-CD1 3.81Å
78	D	96.4	Very high	97.2	Very high	65 Å²	65	49.8 Å²	49.8	35%	0.348	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	9.1	176.9	54.8	-13.5	0	0	0	112.7	S57 A58 V76 E104	S57-D78 WeakPolarHBondContact CA-OD1 3.2Å; S57-D78 WeakPolarHBondContact CB-OD2 3.5Å; A58-D78 PolarHBondContact N-OD1 2.96Å; A58-D78 PolarHBondContact N-OD2 3.05Å; A58-D78 VanDerWaalsContact N-OD2 3.14Å; V76-D78 PolarHBondContact O-N 2.75Å; D78-E104 HydrophobicContact CB-CG 4.3Å
79	G	95.3	Very high	97.2	Very high	38 Å²	38	53.6 Å²	53.6	39%	0.392	30%	0.298	S	S	.	.	S	Bend	trans	-109.9	-144.4	-177.8	0	0	0	0	0	114	V76 L77 L81 N108	V76-G79 PolarHBondContact O-N 3.12Å; L77-G79 VanDerWaalsContact C-N 3.31Å; G79-L81 PolarHBondContact O-N 3.17Å; G79-N108 PolarHBondContact O-ND2 3.42Å
80	I	94.5	Very high	97.2	Very high	117 Å²	117	55.4 Å²	55.4	60%	0.6	29%	0.289	S	S	*	.			trans	-74.4	118.4	179.1	-58.3	173.9	0	0	0	109.1	A82 E83	I80-A82 HydrophobicContact CG2-CB 4.04Å; I80-A82 PolarHBondContact O-N 2.92Å; I80-E83 HydrophobicContact CB-CG 4.36Å; I80-E83 WeakPolarHBondContact O-CB 3.41Å; I80-E83 PolarHBondContact O-N 3.02Å
81	L	95.3	Very high	97.2	Very high	49 Å²	49	49 Å²	49	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-49.1	-37.6	-179.3	-179.2	68.2	0	0	0	113.9	G79 E83 A84 T85 N108 K111 L112	G79-L81 PolarHBondContact O-N 3.17Å; L81-E83 PolarHBondContact O-N 3.47Å; L81-A84 WeakPolarHBondContact O-CB 3.36Å; L81-A84 PolarHBondContact O-N 3.4Å; L81-T85 HydrophobicContact CD1-CG2 4.44Å; L81-T85 HydrophobicContact CG-CG2 4.18Å; L81-T85 PolarHBondContact O-N 2.85Å; L81-N108 HydrophobicContact CD1-CB 4.33Å; L81-K111 HydrophobicContact CD1-CB 4.03Å; L81-K111 HydrophobicContact CD2-CB 3.81Å; L81-K111 HydrophobicContact CD2-CD 3.66Å; L81-K111 HydrophobicContact CD2-CG 4.34Å; L81-L112 HydrophobicContact CD1-CD2 3.85Å; L81-L112 HydrophobicContact CD1-CG 3.8Å
82	A	97.3	Very high	97.2	Very high	52 Å²	52	50.3 Å²	50.3	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-23.4	-179.9	0	0	0	0	0	113.8	I80 T85 K86	I80-A82 HydrophobicContact CG2-CB 4.04Å; I80-A82 PolarHBondContact O-N 2.92Å; A82-T85 WeakPolarHBondContact CA-OG1 3.38Å; A82-T85 PolarHBondContact O-OG1 3.34Å; A82-T85 VanDerWaalsContact O-OG1 3.12Å; A82-K86 WeakPolarHBondContact O-CG 3.42Å; A82-K86 PolarHBondContact O-N 3.47Å
83	E	96.6	Very high	97.2	Very high	94 Å²	94	47.2 Å²	47.2	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-77.2	-39.1	174.1	-61.2	-171.3	137.3	0	0	111.4	V76 I80 L81	V76-E83 HydrophobicContact CB-CB 3.9Å; V76-E83 HydrophobicContact CG1-CB 3.86Å; V76-E83 HydrophobicContact CG2-CB 4.35Å; I80-E83 HydrophobicContact CB-CG 4.36Å; I80-E83 WeakPolarHBondContact O-CB 3.41Å; I80-E83 PolarHBondContact O-N 3.02Å; L81-E83 PolarHBondContact O-N 3.47Å
84	A	97.3	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-40.9	174.5	0	0	0	0	0	111.9	V55 V76 L81 K86 C87 M88 L112	V55-A84 HydrophobicContact CG1-CB 4.04Å; V76-A84 HydrophobicContact CG2-CB 3.98Å; L81-A84 WeakPolarHBondContact O-CB 3.36Å; L81-A84 PolarHBondContact O-N 3.4Å; A84-K86 VanDerWaalsContact C-N 3.33Å; A84-K86 PolarHBondContact O-N 2.84Å; A84-C87 WeakPolarHBondContact O-CB 3.44Å; A84-C87 PolarHBondContact O-N 2.92Å; A84-M88 PolarHBondContact O-N 2.83Å; A84-L112 HydrophobicContact CB-CD1 3.91Å; A84-L112 HydrophobicContact CB-CD2 3.88Å; A84-L112 HydrophobicContact CB-CG 4.44Å
85	T	97.8	Very high	97.3	Very high	21 Å²	21	44.5 Å²	44.5	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-35.1	178.7	57.1	0	0	0	0	112.7	L81 A82 C87 M88 D89 L112 Y115	L81-T85 HydrophobicContact CD1-CG2 4.44Å; L81-T85 HydrophobicContact CG-CG2 4.18Å; L81-T85 PolarHBondContact O-N 2.85Å; A82-T85 WeakPolarHBondContact CA-OG1 3.38Å; A82-T85 PolarHBondContact O-OG1 3.34Å; A82-T85 VanDerWaalsContact O-OG1 3.12Å; T85-C87 PolarHBondContact O-N 2.76Å; T85-M88 CarbonylContact O-C 3.52Å; T85-M88 WeakPolarHBondContact O-CA 3.24Å; T85-M88 WeakPolarHBondContact O-CB 3.29Å; T85-M88 PolarHBondContact O-N 3.24Å; T85-D89 PolarHBondContact O-N 3.33Å; T85-L112 HydrophobicContact CG2-CD2 3.94Å; T85-Y115 HydrophobicContact CG2-CD1 4.11Å; T85-Y115 HydrophobicContact CG2-CD2 4.04Å; T85-Y115 HydrophobicContact CG2-CE1 4.18Å; T85-Y115 HydrophobicContact CG2-CE2 4.12Å; T85-Y115 HydrophobicContact CG2-CG 4.03Å
86	K	97.3	Very high	97.3	Very high	127 Å²	127	41.9 Å²	41.9	55%	0.552	22%	0.218	S	C	*	.	H	α-helix	trans	-56.9	-32.8	172.5	-75	170.9	-173.6	174.8	0	112.8	A82 A84	A82-K86 WeakPolarHBondContact O-CG 3.42Å; A82-K86 PolarHBondContact O-N 3.47Å; A84-K86 VanDerWaalsContact C-N 3.33Å; A84-K86 PolarHBondContact O-N 2.84Å
87	C	96.8	Very high	97.4	Very high	7 Å²	7	41 Å²	41	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-71.6	-43.6	172	-175.1	0	0	0	0	110.8	V55 H74 A84 T85 D89 R90	V55-C87 HydrophobicContact CG2-CB 3.91Å; H74-C87 VanDerWaalsContact CD2-SG 3.51Å; H74-C87 PolarHBondContact NE2-SG 3.19Å; H74-C87 VanDerWaalsContact NE2-SG 3.37Å; A84-C87 WeakPolarHBondContact O-CB 3.44Å; A84-C87 PolarHBondContact O-N 2.92Å; T85-C87 PolarHBondContact O-N 2.76Å; C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.17Å; C87-R90 PolarHBondContact O-N 3.08Å; C87-R90 VanDerWaalsContact O-N 3.13Å
88	M	98.2	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-35.6	179.7	-60.7	-55.3	93.7	0	0	112.7	A25 V27 V55 A84 T85 R90 V91 I94 L112 Y115 K121	A25-M88 HydrophobicContact CB-CE 3.67Å; A25-M88 HydrophobicContact CB-SD 4.47Å; V27-M88 HydrophobicContact CG2-CE 4.15Å; V27-M88 HydrophobicContact CG2-SD 4.18Å; V55-M88 HydrophobicContact CG2-CE 3.7Å; A84-M88 PolarHBondContact O-N 2.83Å; T85-M88 CarbonylContact O-C 3.52Å; T85-M88 WeakPolarHBondContact O-CA 3.24Å; T85-M88 WeakPolarHBondContact O-CB 3.29Å; T85-M88 PolarHBondContact O-N 3.24Å; M88-R90 PolarHBondContact O-N 2.98Å; M88-V91 HydrophobicContact CE-CG2 4.45Å; M88-V91 WeakPolarHBondContact O-CG2 3.33Å; M88-V91 PolarHBondContact O-N 3.11Å; M88-I94 HydrophobicContact SD-CG1 3.96Å; M88-I94 HydrophobicContact SD-CG2 4.21Å; M88-L112 HydrophobicContact CG-CD2 3.81Å; M88-Y115 HydrophobicContact CB-CD1 4.07Å; M88-Y115 HydrophobicContact CB-CE1 4Å; M88-K121 WeakPolarHBondContact O-CE 3.43Å; M88-K121 PolarHBondContact O-NZ 2.86Å
89	D	97.6	Very high	97.5	Very high	90 Å²	90	38.2 Å²	38.2	48%	0.481	20%	0.199	S	C	.	.	H	α-helix	trans	-57.7	-34.8	176.5	-72.4	-33.5	0	0	0	113.1	T85 C87 Y115	T85-D89 PolarHBondContact O-N 3.33Å; C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.17Å; D89-Y115 PolarHBondContact OD1-OH 3.11Å
90	R	96	Very high	97.6	Very high	161 Å²	161	36.4 Å²	36.4	61%	0.608	18%	0.18	S	C	*	.	H	α-helix	trans	-86.7	-19.8	-172.8	-61.9	176.7	-175.3	-176.7	0.2	113.3	R23 C87 M88	R23-R90 WeakPolarHBondContact CD-O 3.26Å; R23-R90 PolarHBondContact NE-O 2.96Å; C87-R90 PolarHBondContact O-N 3.08Å; C87-R90 VanDerWaalsContact O-N 3.13Å; M88-R90 PolarHBondContact O-N 2.98Å
91	V	98.4	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.			trans	-95.9	158.2	-174.8	-62.6	0	0	0	0	112.4	R23 A25 H53 M88 I94 K121	R23-V91 HydrophobicContact CB-CG1 4.37Å; R23-V91 CarbonylContact O-C 3.43Å; R23-V91 WeakPolarHBondContact O-CA 3.25Å; R23-V91 VanDerWaalsContact O-CB 3.28Å; R23-V91 WeakPolarHBondContact O-CB 3.37Å; A25-V91 HydrophobicContact CB-CB 4.22Å; A25-V91 HydrophobicContact CB-CG1 3.97Å; A25-V91 HydrophobicContact CB-CG2 3.83Å; H53-V91 HydrophobicContact CB-CG1 4.45Å; H53-V91 VanDerWaalsContact CD2-CG1 3.47Å; H53-V91 WeakPolarHBondContact CD2-CG1 3.4Å; M88-V91 HydrophobicContact CE-CG2 4.45Å; M88-V91 WeakPolarHBondContact O-CG2 3.33Å; M88-V91 PolarHBondContact O-N 3.11Å; V91-I94 HydrophobicContact CG2-CD1 4.09Å; V91-I94 HydrophobicContact CG2-CG1 3.85Å; V91-K121 PolarHBondContact O-NZ 3.19Å
92	H	98.4	Very high	97.5	Very high	40 Å²	40	32.3 Å²	32.3	19%	0.185	16%	0.161	C	C	.	.	S	Bend	trans	-96.5	-39.7	-178.6	-57.9	139.9	0	0	0	113	G19 R23 P122 Y228	G19-H92 PolarHBondContact O-CE1 2.78Å; R23-H92 PolarHBondContact N-ND1 3.1Å; R23-H92 VanDerWaalsContact N-ND1 3.18Å; R23-H92 PolarHBondContact NH2-CE1 3.4Å; R23-H92 PolarHBondContact NH2-NE2 3.39Å; R23-H92 PolarHBondContact O-N 3.39Å; H92-P122 WeakPolarHBondContact O-CD 3.33Å; H92-Y228 HydrophobicContact CB-CD2 3.32Å; H92-Y228 HydrophobicContact CB-CE2 3.32Å; H92-Y228 HydrophobicContact CB-CG 3.94Å; H92-Y228 AromaticContact CE1-CZ 3.95Å; H92-Y228 PolarHBondContact CE1-OH 3.44Å; H92-Y228 AromaticContact CG-CE2 3.47Å; H92-Y228 VanDerWaalsContact CG-CE2 3.47Å; H92-Y228 AromaticContact CG-CZ 3.74Å; H92-Y228 AromaticContact ND1-CE1 3.89Å; H92-Y228 AromaticContact ND1-CE2 3.63Å; H92-Y228 AromaticContact ND1-CZ 3.36Å; H92-Y228 PolarHBondContact ND1-OH 3.2Å
93	A	98.7	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	156.7	177.1	0	0	0	0	0	110.8	I24 A25 P122	I24-A93 WeakPolarHBondContact CA-O 3.22Å; I24-A93 HydrophobicContact CD1-CB 3.97Å; A25-A93 PolarHBondContact N-O 2.92Å; A93-P122 WeakPolarHBondContact CA-O 3.46Å; A93-P122 HydrophobicContact CB-CB 4.19Å
94	I	98.8	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.7	-170	-51.4	82.8	0	0	0	110.9	A25 V27 M88 V91 F96 C116 K121 P122 I123 V124	A25-I94 HydrophobicContact CB-CG1 4.14Å; A25-I94 HydrophobicContact CB-CG2 4.08Å; A25-I94 CarbonylContact O-C 3.46Å; A25-I94 VanDerWaalsContact O-CA 3.31Å; A25-I94 WeakPolarHBondContact O-CA 3.4Å; V27-I94 HydrophobicContact CG2-CG2 3.77Å; M88-I94 HydrophobicContact SD-CG1 3.96Å; M88-I94 HydrophobicContact SD-CG2 4.21Å; V91-I94 HydrophobicContact CG2-CD1 4.09Å; V91-I94 HydrophobicContact CG2-CG1 3.85Å; I94-F96 HydrophobicContact CB-CD2 4.42Å; I94-F96 HydrophobicContact CB-CE2 3.83Å; I94-F96 HydrophobicContact CB-CZ 4.33Å; I94-F96 HydrophobicContact CG2-CD2 3.82Å; I94-F96 HydrophobicContact CG2-CE1 4.2Å; I94-F96 HydrophobicContact CG2-CE2 3.38Å; I94-F96 HydrophobicContact CG2-CG 4.41Å; I94-F96 HydrophobicContact CG2-CZ 3.6Å; I94-C116 HydrophobicContact CD1-CB 4.28Å; I94-K121 HydrophobicContact CD1-CB 3.63Å; I94-K121 HydrophobicContact CD1-CD 3.65Å; I94-K121 HydrophobicContact CD1-CG 4.26Å; I94-P122 PolarHBondContact N-O 3.19Å; I94-P122 VanDerWaalsContact N-O 3.12Å; I94-I123 CarbonylContact O-C 3.59Å; I94-I123 WeakPolarHBondContact O-CA 3.21Å; I94-V124 PolarHBondContact O-N 2.85Å
95	T	98.9	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.7	165	-59.6	0	0	0	0	109.4	A25 V26 V27 P98 V124 S220 S224	A25-T95 PolarHBondContact O-N 2.91Å; V26-T95 CarbonylContact C-O 3.56Å; V26-T95 WeakPolarHBondContact CA-O 3.36Å; V27-T95 PolarHBondContact N-O 3.39Å; T95-P98 HydrophobicContact CG2-CG 3.93Å; T95-V124 CarbonylContact C-O 3.58Å; T95-V124 WeakPolarHBondContact CA-O 3.32Å; T95-V124 HydrophobicContact CG2-CB 4.31Å; T95-V124 HydrophobicContact CG2-CG1 4.34Å; T95-S220 PolarHBondContact OG1-O 3.25Å; T95-S220 VanDerWaalsContact OG1-O 3.08Å; T95-S224 WeakPolarHBondContact OG1-CB 3.23Å; T95-S224 PolarHBondContact OG1-OG 3.34Å
96	F	98.9	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.8	173.4	-66.3	-91.6	0	0	0	110.5	V27 I94 T109 L112 I113 C116 I123 V124 I125 D126 A129	V27-F96 HydrophobicContact CB-CD1 3.44Å; V27-F96 VanDerWaalsContact CB-CD1 3.44Å; V27-F96 HydrophobicContact CB-CE1 3.74Å; V27-F96 HydrophobicContact CB-CG 4.23Å; V27-F96 HydrophobicContact CG1-CD1 3.68Å; V27-F96 HydrophobicContact CG1-CE1 3.91Å; V27-F96 HydrophobicContact CG2-CD1 3.83Å; V27-F96 HydrophobicContact CG2-CE1 3.58Å; V27-F96 HydrophobicContact CG2-CZ 4.24Å; V27-F96 WeakPolarHBondContact O-CA 3.31Å; I94-F96 HydrophobicContact CB-CD2 4.42Å; I94-F96 HydrophobicContact CB-CE2 3.83Å; I94-F96 HydrophobicContact CB-CZ 4.33Å; I94-F96 HydrophobicContact CG2-CD2 3.82Å; I94-F96 HydrophobicContact CG2-CE1 4.2Å; I94-F96 HydrophobicContact CG2-CE2 3.38Å; I94-F96 HydrophobicContact CG2-CG 4.41Å; I94-F96 HydrophobicContact CG2-CZ 3.6Å; F96-T109 HydrophobicContact CD1-CG2 3.87Å; F96-L112 HydrophobicContact CE1-CB 3.69Å; F96-L112 HydrophobicContact CZ-CB 4.14Å; F96-I113 HydrophobicContact CB-CD1 4.46Å; F96-I113 HydrophobicContact CB-CG1 4.44Å; F96-I113 HydrophobicContact CD1-CD1 4.4Å; F96-I113 HydrophobicContact CD1-CG1 3.76Å; F96-I113 HydrophobicContact CD2-CG1 3.86Å; F96-I113 HydrophobicContact CE1-CG1 3.84Å; F96-I113 HydrophobicContact CE2-CG1 3.93Å; F96-I113 HydrophobicContact CG-CD1 4.28Å; F96-I113 HydrophobicContact CG-CG1 3.76Å; F96-I113 HydrophobicContact CZ-CG1 3.93Å; F96-C116 HydrophobicContact CZ-CB 4.42Å; F96-I123 HydrophobicContact CD2-CG2 3.76Å; F96-I123 HydrophobicContact CE2-CD1 4.29Å; F96-I123 HydrophobicContact CE2-CG1 4.27Å; F96-I123 HydrophobicContact CE2-CG2 4Å; F96-V124 PolarHBondContact N-O 3.07Å; F96-I125 HydrophobicContact CB-CD1 3.87Å; F96-I125 HydrophobicContact CD2-CD1 3.89Å; F96-I125 HydrophobicContact CG-CD1 4.2Å; F96-D126 PolarHBondContact O-N 3.03Å; F96-A129 HydrophobicContact CB-CB 3.73Å; F96-A129 WeakPolarHBondContact O-CB 3.43Å
97	G	98.5	Very high	96.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.			trans	116.3	-28.4	165.8	0	0	0	0	0	118.6	V27 G99 L100 D126 A129	V27-G97 PolarHBondContact O-N 3.26Å; G97-G99 PolarHBondContact O-N 3.29Å; G97-L100 WeakPolarHBondContact O-CB 3.38Å; G97-L100 PolarHBondContact O-N 3.4Å; G97-D126 WeakPolarHBondContact CA-O 3.17Å; G97-A129 VanDerWaalsContact CA-CB 3.49Å
98	P	98.5	Very high	96.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	107.7	179.9	-32.7	38.5	0	0	0	112.8	V26 G28 G29 A36 P37 T95 L100 D217	V26-P98 HydrophobicContact CG1-CB 4.28Å; V26-P98 HydrophobicContact CG1-CG 4.12Å; G28-P98 CarbonylContact C-O 3.54Å; G28-P98 WeakPolarHBondContact CA-O 3.27Å; G29-P98 PolarHBondContact N-O 3.45Å; A36-P98 HydrophobicContact CB-CB 4.17Å; P37-P98 WeakPolarHBondContact CD-O 3.46Å; T95-P98 HydrophobicContact CG2-CG 3.93Å; P98-L100 VanDerWaalsContact C-N 3.26Å; P98-L100 PolarHBondContact O-N 3.47Å; P98-D217 WeakPolarHBondContact CB-OD1 3.24Å
99	G	97.8	Very high	96.7	Very high	6 Å²	6	35.8 Å²	35.8	6%	0.062	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	32.3	-178.1	0	0	0	0	0	114.3	G29 S30 G97 G101	G29-G99 CarbonylContact C-O 3.55Å; G29-G99 WeakPolarHBondContact CA-O 3.22Å; G29-G99 PolarHBondContact N-O 2.73Å; S30-G99 PolarHBondContact N-O 3.23Å; G97-G99 PolarHBondContact O-N 3.29Å; G99-G101 VanDerWaalsContact C-N 3.29Å; G99-G101 PolarHBondContact O-N 3.28Å
100	L	97.5	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.			trans	-61	-37.8	-174.6	-165.9	71.3	0	0	0	112.8	V27 S30 L77 G97 P98 N105 T109 D128 I132	V27-L100 HydrophobicContact CG1-CD1 4.47Å; S30-L100 WeakPolarHBondContact CB-O 3.43Å; L77-L100 HydrophobicContact CD2-CD1 3.78Å; G97-L100 WeakPolarHBondContact O-CB 3.38Å; G97-L100 PolarHBondContact O-N 3.4Å; P98-L100 VanDerWaalsContact C-N 3.26Å; P98-L100 PolarHBondContact O-N 3.47Å; L100-N105 HydrophobicContact CD1-CB 4.24Å; L100-N105 HydrophobicContact CG-CB 4.05Å; L100-N105 WeakPolarHBondContact O-CB 3.37Å; L100-N105 PolarHBondContact O-ND2 3.4Å; L100-T109 HydrophobicContact CD1-CG2 4.25Å; L100-T109 WeakPolarHBondContact CD1-OG1 3.17Å; L100-T109 HydrophobicContact CD2-CG2 3.72Å; L100-D128 HydrophobicContact CB-CB 3.59Å; L100-D128 HydrophobicContact CD2-CB 4.34Å; L100-D128 PolarHBondContact N-OD2 3.17Å; L100-I132 HydrophobicContact CD2-CD1 3.53Å
101	G	94.6	Very high	96.8	Very high	5 Å²	5	29.7 Å²	29.7	5%	0.052	16%	0.156	C	C	.	.			trans	71.7	140.8	-165	0	0	0	0	0	111.6	G99 D128	G99-G101 VanDerWaalsContact C-N 3.29Å; G99-G101 PolarHBondContact O-N 3.28Å; G101-D128 PolarHBondContact N-OD2 3.45Å
102	L	92.7	Very high	96.8	Very high	76 Å²	76	29.7 Å²	29.7	40%	0.398	16%	0.156	S	C	.	.	S	Bend	trans	-101.5	23.5	-173.1	-62.9	177.3	0	0	0	113.4	V106 D128 H131	L102-V106 VanDerWaalsContact C-CG2 3.49Å; L102-V106 HydrophobicContact CB-CG2 4.49Å; L102-V106 HydrophobicContact CD2-CG2 4.45Å; L102-D128 HydrophobicContact CD2-CB 3.71Å; L102-D128 HydrophobicContact CG-CB 4.24Å; L102-H131 HydrophobicContact CD1-CB 4.17Å; L102-H131 HydrophobicContact CD2-CB 4.03Å
103	T	90.4	Very high	96.9	Very high	104 Å²	104	27.8 Å²	27.8	64%	0.638	15%	0.147	S	C	*	.	S	Bend	trans	-114.6	-95.1	-178.7	40.1	0	0	0	0	110.7	N105	T103-N105 VanDerWaalsContact C-N 3.32Å; T103-N105 PolarHBondContact O-N 3.38Å
104	E	89.7	Confident	96.9	Very high	81 Å²	81	30.3 Å²	30.3	38%	0.379	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.7	-171.8	61	-89.2	-158.9	0	0	114.6	D78	D78-E104 HydrophobicContact CB-CG 4.3Å
105	N	94.7	Very high	96.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-11	-169.3	-68.9	-36.1	0	0	0	114.4	G29 L77 L100 T103 E107 T109	G29-N105 PolarHBondContact O-ND2 3.18Å; L77-N105 HydrophobicContact CD2-CB 3.93Å; L77-N105 HydrophobicContact CG-CB 4.16Å; L100-N105 HydrophobicContact CD1-CB 4.24Å; L100-N105 HydrophobicContact CG-CB 4.05Å; L100-N105 WeakPolarHBondContact O-CB 3.37Å; L100-N105 PolarHBondContact O-ND2 3.4Å; T103-N105 VanDerWaalsContact C-N 3.32Å; T103-N105 PolarHBondContact O-N 3.38Å; N105-E107 PolarHBondContact O-N 3.21Å; N105-T109 VanDerWaalsContact O-CB 3.22Å; N105-T109 WeakPolarHBondContact O-CB 3.36Å; N105-T109 PolarHBondContact O-N 3.48Å; N105-T109 PolarHBondContact O-OG1 3.04Å
106	V	96.6	Very high	96.8	Very high	44 Å²	44	33.8 Å²	33.8	27%	0.267	17%	0.174	S	C	.	.	H	α-helix	trans	-63.6	-46	-169.5	172.9	0	0	0	0	112.5	L102 T109 T110 I132	L102-V106 VanDerWaalsContact C-CG2 3.49Å; L102-V106 HydrophobicContact CB-CG2 4.49Å; L102-V106 HydrophobicContact CD2-CG2 4.45Å; V106-T109 PolarHBondContact O-N 2.85Å; V106-T110 WeakPolarHBondContact O-CB 3.31Å; V106-T110 PolarHBondContact O-N 3.08Å; V106-T110 PolarHBondContact O-OG1 2.85Å; V106-I132 HydrophobicContact CB-CD1 4.38Å; V106-I132 HydrophobicContact CG1-CD1 4.1Å; V106-I132 HydrophobicContact CG1-CG1 4.1Å; V106-I132 HydrophobicContact CG2-CD1 4.38Å
107	E	97.1	Very high	96.8	Very high	127 Å²	127	37.5 Å²	37.5	59%	0.593	19%	0.188	S	C	*	.	H	α-helix	trans	-64.3	-53.1	-175.6	-177.3	-178.7	171.5	0	0	111.4	N105 T109 T110 K111	N105-E107 PolarHBondContact O-N 3.21Å; E107-T109 VanDerWaalsContact C-N 3.3Å; E107-T109 PolarHBondContact O-N 3.3Å; E107-T110 WeakPolarHBondContact O-CB 3.42Å; E107-T110 PolarHBondContact O-N 3.29Å; E107-K111 HydrophobicContact CG-CD 4.49Å; E107-K111 WeakPolarHBondContact O-CG 3.3Å; E107-K111 PolarHBondContact O-N 3.36Å; E107-K111 VanDerWaalsContact O-N 3.08Å; E107-K111 VanDerWaalsContact OE1-CE 3.32Å; E107-K111 WeakPolarHBondContact OE1-CE 3.41Å; E107-K111 IonicContact OE1-NZ 2.66Å; E107-K111 PolarHBondContact OE1-NZ 3.28Å
108	N	98	Very high	96.8	Very high	18 Å²	18	45 Å²	45	10%	0.096	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-36.3	179.7	-81.4	-12.1	0	0	0	111.5	L77 G79 L81 T110 K111 L112	L77-N108 HydrophobicContact CD1-CB 4.42Å; L77-N108 VanDerWaalsContact O-CB 3.23Å; L77-N108 WeakPolarHBondContact O-CB 3.4Å; L77-N108 PolarHBondContact O-ND2 3.46Å; G79-N108 PolarHBondContact O-ND2 3.42Å; L81-N108 HydrophobicContact CD1-CB 4.33Å; N108-T110 PolarHBondContact O-N 3.27Å; N108-K111 PolarHBondContact O-N 2.98Å; N108-L112 WeakPolarHBondContact O-CB 3.37Å; N108-L112 VanDerWaalsContact O-CG 3.23Å; N108-L112 WeakPolarHBondContact O-CG 3.31Å; N108-L112 PolarHBondContact O-N 3.49Å
109	T	98.4	Very high	96.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-45	174.6	-59.6	0	0	0	0	112.1	F96 L100 N105 V106 E107 K111 L112 I113 I132	F96-T109 HydrophobicContact CD1-CG2 3.87Å; L100-T109 HydrophobicContact CD1-CG2 4.25Å; L100-T109 WeakPolarHBondContact CD1-OG1 3.17Å; L100-T109 HydrophobicContact CD2-CG2 3.72Å; N105-T109 VanDerWaalsContact O-CB 3.22Å; N105-T109 WeakPolarHBondContact O-CB 3.36Å; N105-T109 PolarHBondContact O-N 3.48Å; N105-T109 PolarHBondContact O-OG1 3.04Å; V106-T109 PolarHBondContact O-N 2.85Å; E107-T109 VanDerWaalsContact C-N 3.3Å; E107-T109 PolarHBondContact O-N 3.3Å; T109-K111 VanDerWaalsContact C-N 3.31Å; T109-K111 PolarHBondContact O-N 3.28Å; T109-L112 PolarHBondContact O-N 3.26Å; T109-I113 HydrophobicContact CG2-CD1 4Å; T109-I113 HydrophobicContact CG2-CG1 4.45Å; T109-I113 WeakPolarHBondContact O-CG1 3.24Å; T109-I113 PolarHBondContact O-N 3.26Å; T109-I132 HydrophobicContact CG2-CD1 3.77Å
110	T	98.4	Very high	96.7	Very high	37 Å²	37	51.5 Å²	51.5	23%	0.227	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-45.9	176.6	-56.9	0	0	0	0	110.9	V106 E107 N108 L112 I113 D114 I132 L139	V106-T110 WeakPolarHBondContact O-CB 3.31Å; V106-T110 PolarHBondContact O-N 3.08Å; V106-T110 PolarHBondContact O-OG1 2.85Å; E107-T110 WeakPolarHBondContact O-CB 3.42Å; E107-T110 PolarHBondContact O-N 3.29Å; N108-T110 PolarHBondContact O-N 3.27Å; T110-L112 PolarHBondContact O-N 3.25Å; T110-I113 PolarHBondContact O-N 3.21Å; T110-D114 PolarHBondContact O-N 3.12Å; T110-I132 WeakPolarHBondContact OG1-CG2 3.36Å; T110-L139 HydrophobicContact CG2-CD1 4.09Å; T110-L139 HydrophobicContact CG2-CD2 4.13Å
111	K	98.4	Very high	96.7	Very high	85 Å²	85	53 Å²	53	37%	0.37	26%	0.264	S	S	.	.	H	α-helix	trans	-65.5	-36.9	177.2	-65.5	176.4	-170.6	167.8	0	112.6	L81 E107 N108 T109 Y115	L81-K111 HydrophobicContact CD1-CB 4.03Å; L81-K111 HydrophobicContact CD2-CB 3.81Å; L81-K111 HydrophobicContact CD2-CD 3.66Å; L81-K111 HydrophobicContact CD2-CG 4.34Å; E107-K111 HydrophobicContact CG-CD 4.49Å; E107-K111 WeakPolarHBondContact O-CG 3.3Å; E107-K111 PolarHBondContact O-N 3.36Å; E107-K111 VanDerWaalsContact O-N 3.08Å; E107-K111 VanDerWaalsContact OE1-CE 3.32Å; E107-K111 WeakPolarHBondContact OE1-CE 3.41Å; E107-K111 IonicContact OE1-NZ 2.66Å; E107-K111 PolarHBondContact OE1-NZ 3.28Å; N108-K111 PolarHBondContact O-N 2.98Å; T109-K111 VanDerWaalsContact C-N 3.31Å; T109-K111 PolarHBondContact O-N 3.28Å; K111-Y115 VanDerWaalsContact O-CB 3.29Å; K111-Y115 WeakPolarHBondContact O-CB 3.29Å; K111-Y115 PolarHBondContact O-N 3.42Å
112	L	98.6	Very high	96.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.5	-36.2	177.8	-72.4	170	0	0	0	112.7	V27 L77 L81 A84 T85 M88 F96 N108 T109 T110 Y115 C116	V27-L112 HydrophobicContact CG1-CD1 4.16Å; L77-L112 HydrophobicContact CD1-CD1 3.81Å; L81-L112 HydrophobicContact CD1-CD2 3.85Å; L81-L112 HydrophobicContact CD1-CG 3.8Å; A84-L112 HydrophobicContact CB-CD1 3.91Å; A84-L112 HydrophobicContact CB-CD2 3.88Å; A84-L112 HydrophobicContact CB-CG 4.44Å; T85-L112 HydrophobicContact CG2-CD2 3.94Å; M88-L112 HydrophobicContact CG-CD2 3.81Å; F96-L112 HydrophobicContact CE1-CB 3.69Å; F96-L112 HydrophobicContact CZ-CB 4.14Å; N108-L112 WeakPolarHBondContact O-CB 3.37Å; N108-L112 VanDerWaalsContact O-CG 3.23Å; N108-L112 WeakPolarHBondContact O-CG 3.31Å; N108-L112 PolarHBondContact O-N 3.49Å; T109-L112 PolarHBondContact O-N 3.26Å; T110-L112 PolarHBondContact O-N 3.25Å; L112-Y115 PolarHBondContact O-N 3.26Å; L112-C116 WeakPolarHBondContact O-CB 3.23Å; L112-C116 PolarHBondContact O-N 2.95Å; L112-C116 PolarHBondContact O-SG 3.11Å
113	I	98.7	Very high	97.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-50.2	173.4	-68.3	165.7	0	0	0	109.7	F96 T109 T110 Y115 C116 R117 I125 L139 I140	F96-I113 HydrophobicContact CB-CD1 4.46Å; F96-I113 HydrophobicContact CB-CG1 4.44Å; F96-I113 HydrophobicContact CD1-CD1 4.4Å; F96-I113 HydrophobicContact CD1-CG1 3.76Å; F96-I113 HydrophobicContact CD2-CG1 3.86Å; F96-I113 HydrophobicContact CE1-CG1 3.84Å; F96-I113 HydrophobicContact CE2-CG1 3.93Å; F96-I113 HydrophobicContact CG-CD1 4.28Å; F96-I113 HydrophobicContact CG-CG1 3.76Å; F96-I113 HydrophobicContact CZ-CG1 3.93Å; T109-I113 HydrophobicContact CG2-CD1 4Å; T109-I113 HydrophobicContact CG2-CG1 4.45Å; T109-I113 WeakPolarHBondContact O-CG1 3.24Å; T109-I113 PolarHBondContact O-N 3.26Å; T110-I113 PolarHBondContact O-N 3.21Å; I113-Y115 VanDerWaalsContact C-N 3.32Å; I113-Y115 PolarHBondContact O-N 2.84Å; I113-C116 PolarHBondContact O-N 3.38Å; I113-R117 WeakPolarHBondContact O-CB 3.42Å; I113-R117 PolarHBondContact O-N 2.79Å; I113-I125 HydrophobicContact CD1-CD1 3.92Å; I113-I125 HydrophobicContact CG1-CD1 4.14Å; I113-L139 HydrophobicContact CB-CD1 4.38Å; I113-L139 HydrophobicContact CB-CD2 4.01Å; I113-L139 HydrophobicContact CB-CG 4.27Å; I113-L139 HydrophobicContact CD1-CD2 3.82Å; I113-L139 HydrophobicContact CG2-CD1 4.12Å; I113-L139 HydrophobicContact CG2-CD2 3.78Å; I113-L139 HydrophobicContact CG2-CG 3.68Å; I113-I140 HydrophobicContact CG2-CG2 3.97Å
114	D	98.5	Very high	97.6	Very high	54 Å²	54	44.6 Å²	44.6	29%	0.289	22%	0.215	S	C	.	.	H	α-helix	trans	-59.3	-42.7	176.4	176.9	59.6	0	0	0	111.9	T110 R117 K118 L139	T110-D114 PolarHBondContact O-N 3.12Å; D114-R117 PolarHBondContact O-N 2.86Å; D114-K118 WeakPolarHBondContact O-CG 3.49Å; D114-K118 PolarHBondContact O-N 3.19Å; D114-K118 VanDerWaalsContact OD1-CE 3.24Å; D114-K118 WeakPolarHBondContact OD1-CE 3.36Å; D114-K118 IonicContact OD1-NZ 2.62Å; D114-K118 PolarHBondContact OD1-NZ 2.57Å; D114-K118 VanDerWaalsContact OD2-CE 3.31Å; D114-K118 WeakPolarHBondContact OD2-CE 3.41Å; D114-K118 IonicContact OD2-NZ 2.86Å; D114-K118 PolarHBondContact OD2-NZ 2.93Å; D114-L139 HydrophobicContact CB-CD1 4.12Å
115	Y	98.5	Very high	98	Very high	72 Å²	72	40.7 Å²	40.7	28%	0.282	20%	0.197	S	C	.	.	H	α-helix	trans	-60.9	-46.6	176.3	-175.2	-93.9	0	0	0	113	T85 M88 D89 K111 L112 I113 K118 S119	T85-Y115 HydrophobicContact CG2-CD1 4.11Å; T85-Y115 HydrophobicContact CG2-CD2 4.04Å; T85-Y115 HydrophobicContact CG2-CE1 4.18Å; T85-Y115 HydrophobicContact CG2-CE2 4.12Å; T85-Y115 HydrophobicContact CG2-CG 4.03Å; M88-Y115 HydrophobicContact CB-CD1 4.07Å; M88-Y115 HydrophobicContact CB-CE1 4Å; D89-Y115 PolarHBondContact OD1-OH 3.11Å; K111-Y115 VanDerWaalsContact O-CB 3.29Å; K111-Y115 WeakPolarHBondContact O-CB 3.29Å; K111-Y115 PolarHBondContact O-N 3.42Å; L112-Y115 PolarHBondContact O-N 3.26Å; I113-Y115 VanDerWaalsContact C-N 3.32Å; I113-Y115 PolarHBondContact O-N 2.84Å; Y115-K118 PolarHBondContact O-N 3.3Å; Y115-S119 WeakPolarHBondContact O-CB 3.4Å; Y115-S119 PolarHBondContact O-N 2.89Å; Y115-S119 PolarHBondContact O-OG 3.38Å
116	C	98.6	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.6	-36.4	179.8	-67.5	0	0	0	0	112.1	I94 F96 L112 I113 S119 N120 K121 I123	I94-C116 HydrophobicContact CD1-CB 4.28Å; F96-C116 HydrophobicContact CZ-CB 4.42Å; L112-C116 WeakPolarHBondContact O-CB 3.23Å; L112-C116 PolarHBondContact O-N 2.95Å; L112-C116 PolarHBondContact O-SG 3.11Å; I113-C116 PolarHBondContact O-N 3.38Å; C116-S119 CarbonylContact O-C 3.56Å; C116-S119 PolarHBondContact O-N 3.48Å; C116-N120 PolarHBondContact O-N 2.92Å; C116-K121 PolarHBondContact O-N 3.05Å; C116-K121 VanDerWaalsContact O-N 3.14Å; C116-I123 HydrophobicContact CB-CD1 3.74Å; C116-I123 HydrophobicContact CB-CG1 4.24Å
117	R	98	Very high	98.2	Very high	78 Å²	78	40.1 Å²	40.1	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-59.9	-50.5	171.6	172.8	-178.3	173.2	175.9	4.5	111.1	I113 D114 S119 N120 S138 L139 E141 Y143	I113-R117 WeakPolarHBondContact O-CB 3.42Å; I113-R117 PolarHBondContact O-N 2.79Å; D114-R117 PolarHBondContact O-N 2.86Å; R117-S119 PolarHBondContact O-N 3.41Å; R117-N120 WeakPolarHBondContact O-CA 3.23Å; R117-N120 PolarHBondContact O-N 2.66Å; R117-S138 PolarHBondContact NH1-O 2.82Å; R117-S138 VanDerWaalsContact NH1-O 3.11Å; R117-L139 PolarHBondContact NH1-O 3.41Å; R117-E141 PolarHBondContact NH2-O 3.43Å; R117-Y143 HydrophobicContact CB-CD1 4Å; R117-Y143 HydrophobicContact CB-CE1 4.08Å; R117-Y143 HydrophobicContact CB-CG 4.5Å; R117-Y143 HydrophobicContact CG-CD1 3.81Å; R117-Y143 HydrophobicContact CG-CD2 4.12Å; R117-Y143 HydrophobicContact CG-CE1 4.21Å; R117-Y143 HydrophobicContact CG-CE2 4.48Å; R117-Y143 HydrophobicContact CG-CG 3.8Å
118	K	98	Very high	98.3	Very high	157 Å²	157	35.9 Å²	35.9	68%	0.683	18%	0.178	S	C	*	.	H	α-helix	trans	-61.1	-29.4	176.2	-74.1	169.6	178	166.2	0	112.7	D114 Y115 N120	D114-K118 WeakPolarHBondContact O-CG 3.49Å; D114-K118 PolarHBondContact O-N 3.19Å; D114-K118 VanDerWaalsContact OD1-CE 3.24Å; D114-K118 WeakPolarHBondContact OD1-CE 3.36Å; D114-K118 IonicContact OD1-NZ 2.62Å; D114-K118 PolarHBondContact OD1-NZ 2.57Å; D114-K118 VanDerWaalsContact OD2-CE 3.31Å; D114-K118 WeakPolarHBondContact OD2-CE 3.41Å; D114-K118 IonicContact OD2-NZ 2.86Å; D114-K118 PolarHBondContact OD2-NZ 2.93Å; Y115-K118 PolarHBondContact O-N 3.3Å; K118-N120 VanDerWaalsContact C-N 3.27Å; K118-N120 PolarHBondContact O-N 3.4Å
119	S	97.7	Very high	98.3	Very high	49 Å²	49	35 Å²	35	34%	0.343	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	5.2	174.7	-53.7	0	0	0	0	113.8	Y115 C116 R117 K121	Y115-S119 WeakPolarHBondContact O-CB 3.4Å; Y115-S119 PolarHBondContact O-N 2.89Å; Y115-S119 PolarHBondContact O-OG 3.38Å; C116-S119 CarbonylContact O-C 3.56Å; C116-S119 PolarHBondContact O-N 3.48Å; R117-S119 PolarHBondContact O-N 3.41Å; S119-K121 PolarHBondContact O-N 2.84Å
120	N	97.4	Very high	98.3	Very high	94 Å²	94	35.2 Å²	35.2	50%	0.503	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	31.9	177.2	-163.8	28.4	0	0	0	114.9	C116 R117 K118 Y143 K145	C116-N120 PolarHBondContact O-N 2.92Å; R117-N120 WeakPolarHBondContact O-CA 3.23Å; R117-N120 PolarHBondContact O-N 2.66Å; K118-N120 VanDerWaalsContact C-N 3.27Å; K118-N120 PolarHBondContact O-N 3.4Å; N120-Y143 WeakPolarHBondContact CA-OH 3.26Å; N120-K145 PolarHBondContact ND2-NZ 2.64Å; N120-K145 PolarHBondContact O-NZ 3.48Å; N120-K145 WeakPolarHBondContact OD1-CE 3.49Å; N120-K145 PolarHBondContact OD1-NZ 2.86Å
121	K	98.2	Very high	98.3	Very high	32 Å²	32	36.9 Å²	36.9	14%	0.139	18%	0.179	C	C	.	.			trans	-89.1	135.4	179.5	-62	178.6	-172.5	-77.6	0	111	M88 V91 I94 C116 S119 I123 Y143	M88-K121 WeakPolarHBondContact O-CE 3.43Å; M88-K121 PolarHBondContact O-NZ 2.86Å; V91-K121 PolarHBondContact O-NZ 3.19Å; I94-K121 HydrophobicContact CD1-CB 3.63Å; I94-K121 HydrophobicContact CD1-CD 3.65Å; I94-K121 HydrophobicContact CD1-CG 4.26Å; C116-K121 PolarHBondContact O-N 3.05Å; C116-K121 VanDerWaalsContact O-N 3.14Å; S119-K121 PolarHBondContact O-N 2.84Å; K121-I123 WeakPolarHBondContact O-CG1 3.29Å; K121-Y143 PolarHBondContact N-OH 3.5Å; K121-Y143 PolarHBondContact O-OH 3.18Å
122	P	98.6	Very high	98.3	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.052	16%	0.163	C	C	.	.			trans	-57.7	137.8	173.2	-21.1	31.6	0	0	0	112.4	H92 A93 I94 K145 N227 H231	H92-P122 WeakPolarHBondContact O-CD 3.33Å; A93-P122 WeakPolarHBondContact CA-O 3.46Å; A93-P122 HydrophobicContact CB-CB 4.19Å; I94-P122 PolarHBondContact N-O 3.19Å; I94-P122 VanDerWaalsContact N-O 3.12Å; P122-K145 HydrophobicContact CB-CB 4.41Å; P122-K145 HydrophobicContact CG-CD 4.3Å; P122-N227 HydrophobicContact CB-CB 4.28Å; P122-N227 VanDerWaalsContact CB-ND2 3.31Å; P122-N227 WeakPolarHBondContact CB-ND2 3.45Å; P122-H231 HydrophobicContact CG-CB 3.92Å
123	I	98.8	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.2	-173.7	-67	176.1	0	0	0	110.4	I94 F96 C116 K121 I125 Y143 K145 T146 I147	I94-I123 CarbonylContact O-C 3.59Å; I94-I123 WeakPolarHBondContact O-CA 3.21Å; F96-I123 HydrophobicContact CD2-CG2 3.76Å; F96-I123 HydrophobicContact CE2-CD1 4.29Å; F96-I123 HydrophobicContact CE2-CG1 4.27Å; F96-I123 HydrophobicContact CE2-CG2 4Å; C116-I123 HydrophobicContact CB-CD1 3.74Å; C116-I123 HydrophobicContact CB-CG1 4.24Å; K121-I123 WeakPolarHBondContact O-CG1 3.29Å; I123-I125 HydrophobicContact CG2-CD1 3.4Å; I123-I125 VanDerWaalsContact CG2-CD1 3.4Å; I123-I125 HydrophobicContact CG2-CG1 3.86Å; I123-Y143 HydrophobicContact CD1-CD1 4.34Å; I123-Y143 HydrophobicContact CD1-CE1 3.81Å; I123-Y143 HydrophobicContact CG1-CE1 4.17Å; I123-K145 PolarHBondContact N-O 2.97Å; I123-T146 HydrophobicContact CG2-CG2 4.47Å; I123-T146 CarbonylContact O-C 3.59Å; I123-T146 WeakPolarHBondContact O-CA 3.08Å; I123-I147 PolarHBondContact O-N 3.48Å
124	V	98.9	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.5	164.2	-178.2	0	0	0	0	108.4	I94 T95 F96 I147 T149 M223	I94-V124 PolarHBondContact O-N 2.85Å; T95-V124 CarbonylContact C-O 3.58Å; T95-V124 WeakPolarHBondContact CA-O 3.32Å; T95-V124 HydrophobicContact CG2-CB 4.31Å; T95-V124 HydrophobicContact CG2-CG1 4.34Å; F96-V124 PolarHBondContact N-O 3.07Å; V124-I147 CarbonylContact C-O 3.55Å; V124-I147 WeakPolarHBondContact CA-O 3.34Å; V124-T149 HydrophobicContact CG1-CG2 4.24Å; V124-M223 HydrophobicContact CG1-SD 4.17Å; V124-M223 HydrophobicContact CG2-CB 4.33Å; V124-M223 HydrophobicContact CG2-CG 4.05Å; V124-M223 HydrophobicContact CG2-SD 4.42Å
125	I	98.9	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.2	175.3	-54.8	-61.7	0	0	0	108.2	F96 I113 I123 A129 L130 V133 T146 I147 L148 T149	F96-I125 HydrophobicContact CB-CD1 3.87Å; F96-I125 HydrophobicContact CD2-CD1 3.89Å; F96-I125 HydrophobicContact CG-CD1 4.2Å; I113-I125 HydrophobicContact CD1-CD1 3.92Å; I113-I125 HydrophobicContact CG1-CD1 4.14Å; I123-I125 HydrophobicContact CG2-CD1 3.4Å; I123-I125 VanDerWaalsContact CG2-CD1 3.4Å; I123-I125 HydrophobicContact CG2-CG1 3.86Å; I125-A129 HydrophobicContact CG2-CB 3.69Å; I125-A129 WeakPolarHBondContact CG2-O 3.27Å; I125-L130 HydrophobicContact CB-CD2 4.39Å; I125-L130 HydrophobicContact CG2-CD2 3.85Å; I125-L130 HydrophobicContact CG2-CG 4.05Å; I125-L130 WeakPolarHBondContact O-CD2 3.43Å; I125-V133 HydrophobicContact CG1-CG2 4.46Å; I125-V133 HydrophobicContact CG2-CG2 3.97Å; I125-T146 HydrophobicContact CG1-CG2 4.05Å; I125-I147 PolarHBondContact N-O 2.97Å; I125-L148 HydrophobicContact CB-CD2 3.54Å; I125-L148 HydrophobicContact CG1-CD2 3.7Å; I125-L148 HydrophobicContact CG2-CD2 4.12Å; I125-T149 PolarHBondContact O-N 2.84Å; I125-T149 VanDerWaalsContact O-N 3.07Å; I125-T149 PolarHBondContact O-OG1 2.83Å
126	D	98.5	Very high	98.1	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	19%	0.186	C	C	.	.			trans	-127.6	166.1	179.6	-166.2	31.7	0	0	0	111.1	F96 G97 D128 A129 T149 K188 S220	F96-D126 PolarHBondContact O-N 3.03Å; G97-D126 WeakPolarHBondContact CA-O 3.17Å; D126-D128 PolarHBondContact O-N 3.23Å; D126-A129 PolarHBondContact O-N 3.24Å; D126-T149 WeakPolarHBondContact CA-OG1 3.35Å; D126-T149 VanDerWaalsContact CB-OG1 3.23Å; D126-T149 WeakPolarHBondContact CB-OG1 3.32Å; D126-T149 PolarHBondContact OD1-OG1 2.91Å; D126-K188 IonicContact OD1-NZ 3.82Å; D126-K188 PolarHBondContact OD1-NZ 3.43Å; D126-S220 PolarHBondContact OD2-OG 2.79Å
127	A	96.5	Very high	98.1	Very high	28 Å²	28	38.4 Å²	38.4	23%	0.231	19%	0.194	C	C	.	.	H	α-helix	trans	42.4	-122.9	171.3	0	0	0	0	0	114.3	A129 L130	A127-A129 PolarHBondContact O-N 3.08Å; A127-L130 WeakPolarHBondContact O-CB 3.23Å; A127-L130 PolarHBondContact O-N 2.79Å
128	D	97.8	Very high	98	Very high	37 Å²	37	37.8 Å²	37.8	20%	0.198	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-28.1	-175.2	-74.6	-21.9	0	0	0	113.6	L100 G101 L102 D126 L130 H131 I132	L100-D128 HydrophobicContact CB-CB 3.59Å; L100-D128 HydrophobicContact CD2-CB 4.34Å; L100-D128 PolarHBondContact N-OD2 3.17Å; G101-D128 PolarHBondContact N-OD2 3.45Å; L102-D128 HydrophobicContact CD2-CB 3.71Å; L102-D128 HydrophobicContact CG-CB 4.24Å; D126-D128 PolarHBondContact O-N 3.23Å; D128-L130 VanDerWaalsContact C-N 3.26Å; D128-L130 PolarHBondContact O-N 3.29Å; D128-H131 VanDerWaalsContact O-CB 3.3Å; D128-H131 WeakPolarHBondContact O-CB 3.25Å; D128-H131 PolarHBondContact O-N 3.36Å; D128-H131 VanDerWaalsContact O-N 3.08Å; D128-I132 PolarHBondContact O-N 2.98Å
129	A	98.4	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.8	-24.6	175.2	0	0	0	0	0	112	F96 G97 I125 D126 A127 H131 I132 V133	F96-A129 HydrophobicContact CB-CB 3.73Å; F96-A129 WeakPolarHBondContact O-CB 3.43Å; G97-A129 VanDerWaalsContact CA-CB 3.49Å; I125-A129 HydrophobicContact CG2-CB 3.69Å; I125-A129 WeakPolarHBondContact CG2-O 3.27Å; D126-A129 PolarHBondContact O-N 3.24Å; A127-A129 PolarHBondContact O-N 3.08Å; A129-H131 VanDerWaalsContact C-N 3.26Å; A129-H131 PolarHBondContact O-N 2.98Å; A129-I132 WeakPolarHBondContact O-CB 3.4Å; A129-I132 PolarHBondContact O-N 3.16Å; A129-V133 PolarHBondContact O-N 3Å
130	L	98.6	Very high	98.1	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-32.6	169.1	-66.4	165.5	0	0	0	111.3	I125 A127 D128 V133 T134 L148 P150 E154	I125-L130 HydrophobicContact CB-CD2 4.39Å; I125-L130 HydrophobicContact CG2-CD2 3.85Å; I125-L130 HydrophobicContact CG2-CG 4.05Å; I125-L130 WeakPolarHBondContact O-CD2 3.43Å; A127-L130 WeakPolarHBondContact O-CB 3.23Å; A127-L130 PolarHBondContact O-N 2.79Å; D128-L130 VanDerWaalsContact C-N 3.26Å; D128-L130 PolarHBondContact O-N 3.29Å; L130-V133 PolarHBondContact O-N 3.22Å; L130-T134 WeakPolarHBondContact O-CB 3.25Å; L130-T134 PolarHBondContact O-N 3.49Å; L130-T134 PolarHBondContact O-OG1 3.48Å; L130-L148 HydrophobicContact CD2-CB 3.88Å; L130-L148 HydrophobicContact CD2-CD2 4.31Å; L130-P150 HydrophobicContact CD1-CB 4.12Å; L130-E154 HydrophobicContact CD1-CB 4.33Å; L130-E154 HydrophobicContact CD1-CG 4.46Å
131	H	98.1	Very high	98.1	Very high	73 Å²	73	28.1 Å²	28.1	34%	0.338	15%	0.151	S	C	.	.	H	α-helix	trans	-65	-44.2	173.7	-177.7	78.2	0	0	0	111.1	L102 D128 A129 V133 T134 Q135	L102-H131 HydrophobicContact CD1-CB 4.17Å; L102-H131 HydrophobicContact CD2-CB 4.03Å; D128-H131 VanDerWaalsContact O-CB 3.3Å; D128-H131 WeakPolarHBondContact O-CB 3.25Å; D128-H131 PolarHBondContact O-N 3.36Å; D128-H131 VanDerWaalsContact O-N 3.08Å; A129-H131 VanDerWaalsContact C-N 3.26Å; A129-H131 PolarHBondContact O-N 2.98Å; H131-V133 VanDerWaalsContact C-N 3.35Å; H131-V133 PolarHBondContact O-N 2.69Å; H131-T134 WeakPolarHBondContact O-CB 3.44Å; H131-T134 PolarHBondContact O-N 3.2Å; H131-T134 VanDerWaalsContact O-N 3.1Å; H131-Q135 WeakPolarHBondContact O-CG 3.37Å; H131-Q135 PolarHBondContact O-N 3.27Å
132	I	98.3	Very high	98.1	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.036	17%	0.171	C	C	.	.	H	α-helix	trans	-57.1	-48.9	175	-61.5	178.8	0	0	0	110.5	L100 V106 T109 T110 D128 A129 T134 Q135 N136 L139	L100-I132 HydrophobicContact CD2-CD1 3.53Å; V106-I132 HydrophobicContact CB-CD1 4.38Å; V106-I132 HydrophobicContact CG1-CD1 4.1Å; V106-I132 HydrophobicContact CG1-CG1 4.1Å; V106-I132 HydrophobicContact CG2-CD1 4.38Å; T109-I132 HydrophobicContact CG2-CD1 3.77Å; T110-I132 WeakPolarHBondContact OG1-CG2 3.36Å; D128-I132 PolarHBondContact O-N 2.98Å; A129-I132 WeakPolarHBondContact O-CB 3.4Å; A129-I132 PolarHBondContact O-N 3.16Å; I132-T134 VanDerWaalsContact C-N 3.3Å; I132-T134 PolarHBondContact O-N 3.36Å; I132-Q135 PolarHBondContact O-N 3.11Å; I132-N136 PolarHBondContact O-N 3.23Å; I132-L139 HydrophobicContact CG2-CD2 4.18Å
133	V	98.4	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-35.6	176.2	170.5	0	0	0	0	111.8	I125 A129 L130 H131 Q135 N136 P137 L139 I140 L158	I125-V133 HydrophobicContact CG1-CG2 4.46Å; I125-V133 HydrophobicContact CG2-CG2 3.97Å; A129-V133 PolarHBondContact O-N 3Å; L130-V133 PolarHBondContact O-N 3.22Å; H131-V133 VanDerWaalsContact C-N 3.35Å; H131-V133 PolarHBondContact O-N 2.69Å; V133-Q135 VanDerWaalsContact C-N 3.29Å; V133-Q135 PolarHBondContact O-N 3.49Å; V133-N136 CarbonylContact O-C 3.55Å; V133-N136 PolarHBondContact O-N 2.95Å; V133-P137 VanDerWaalsContact O-CA 3.25Å; V133-P137 WeakPolarHBondContact O-CA 3.31Å; V133-P137 WeakPolarHBondContact O-CD 3.12Å; V133-P137 WeakPolarHBondContact O-CG 3.21Å; V133-L139 HydrophobicContact CG2-CD2 4.48Å; V133-I140 HydrophobicContact CG1-CD1 4.08Å; V133-I140 HydrophobicContact CG1-CG1 3.62Å; V133-I140 HydrophobicContact CG2-CG1 4.14Å; V133-I140 HydrophobicContact CG2-CG2 4.27Å; V133-L158 HydrophobicContact CG1-CD1 4.21Å
134	T	98.3	Very high	98	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.08	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-36.1	176.5	-60.7	0	0	0	0	111.6	L130 H131 I132 R157 S161	L130-T134 WeakPolarHBondContact O-CB 3.25Å; L130-T134 PolarHBondContact O-N 3.49Å; L130-T134 PolarHBondContact O-OG1 3.48Å; H131-T134 WeakPolarHBondContact O-CB 3.44Å; H131-T134 PolarHBondContact O-N 3.2Å; H131-T134 VanDerWaalsContact O-N 3.1Å; I132-T134 VanDerWaalsContact C-N 3.3Å; I132-T134 PolarHBondContact O-N 3.36Å; T134-R157 HydrophobicContact CG2-CB 4.29Å; T134-S161 WeakPolarHBondContact O-CB 3.14Å; T134-S161 PolarHBondContact O-OG 3.1Å
135	Q	97.4	Very high	97.9	Very high	133 Å²	133	34.3 Å²	34.3	62%	0.621	20%	0.196	S	C	*	.	H	α-helix	trans	-76.6	-27.2	175.5	-60.7	-50.1	-52.9	0	0	112.7	H131 I132 V133	H131-Q135 WeakPolarHBondContact O-CG 3.37Å; H131-Q135 PolarHBondContact O-N 3.27Å; I132-Q135 PolarHBondContact O-N 3.11Å; V133-Q135 VanDerWaalsContact C-N 3.29Å; V133-Q135 PolarHBondContact O-N 3.49Å
136	N	97.2	Very high	97.9	Very high	64 Å²	64	34.3 Å²	34.3	34%	0.342	20%	0.196	S	C	.	.			trans	-140.2	77.2	179.2	-175.8	12	0	0	0	112.3	I132 V133 S138 L139	I132-N136 PolarHBondContact O-N 3.23Å; V133-N136 CarbonylContact O-C 3.55Å; V133-N136 PolarHBondContact O-N 2.95Å; N136-S138 PolarHBondContact O-N 2.82Å; N136-S138 PolarHBondContact OD1-OG 3.44Å; N136-L139 WeakPolarHBondContact O-CB 3.44Å; N136-L139 PolarHBondContact O-N 2.88Å; N136-L139 VanDerWaalsContact O-N 3.14Å
137	P	97.6	Very high	98	Very high	26 Å²	26	34.1 Å²	34.1	17%	0.169	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28.4	-177.4	-26.5	35.5	0	0	0	113.9	V133 L139 I140 E141 V162 L181	V133-P137 VanDerWaalsContact O-CA 3.25Å; V133-P137 WeakPolarHBondContact O-CA 3.31Å; V133-P137 WeakPolarHBondContact O-CD 3.12Å; V133-P137 WeakPolarHBondContact O-CG 3.21Å; P137-L139 PolarHBondContact O-N 3.46Å; P137-L139 VanDerWaalsContact O-N 3.1Å; P137-I140 PolarHBondContact O-N 2.89Å; P137-E141 PolarHBondContact O-N 3.47Å; P137-V162 HydrophobicContact CB-CG2 4.2Å; P137-V162 HydrophobicContact CG-CG2 4.17Å; P137-L181 HydrophobicContact CB-CD2 3.89Å
138	S	97.2	Very high	98.1	Very high	64 Å²	64	32.8 Å²	32.8	45%	0.448	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-60.3	-21.2	178.8	77	0	0	0	0	113.8	R117 N136 I140 E141	R117-S138 PolarHBondContact NH1-O 2.82Å; R117-S138 VanDerWaalsContact NH1-O 3.11Å; N136-S138 PolarHBondContact O-N 2.82Å; N136-S138 PolarHBondContact OD1-OG 3.44Å; S138-I140 PolarHBondContact O-N 3.4Å; S138-E141 PolarHBondContact O-N 2.95Å
139	L	98.2	Very high	98.1	Very high	12 Å²	12	31 Å²	31	6%	0.063	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-55.8	-35.3	178.3	-177	63.1	0	0	0	112.6	T110 I113 D114 R117 I132 V133 N136 P137	T110-L139 HydrophobicContact CG2-CD1 4.09Å; T110-L139 HydrophobicContact CG2-CD2 4.13Å; I113-L139 HydrophobicContact CB-CD1 4.38Å; I113-L139 HydrophobicContact CB-CD2 4.01Å; I113-L139 HydrophobicContact CB-CG 4.27Å; I113-L139 HydrophobicContact CD1-CD2 3.82Å; I113-L139 HydrophobicContact CG2-CD1 4.12Å; I113-L139 HydrophobicContact CG2-CD2 3.78Å; I113-L139 HydrophobicContact CG2-CG 3.68Å; D114-L139 HydrophobicContact CB-CD1 4.12Å; R117-L139 PolarHBondContact NH1-O 3.41Å; I132-L139 HydrophobicContact CG2-CD2 4.18Å; V133-L139 HydrophobicContact CG2-CD2 4.48Å; N136-L139 WeakPolarHBondContact O-CB 3.44Å; N136-L139 PolarHBondContact O-N 2.88Å; N136-L139 VanDerWaalsContact O-N 3.14Å; P137-L139 PolarHBondContact O-N 3.46Å; P137-L139 VanDerWaalsContact O-N 3.1Å
140	I	98	Very high	98.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-1.8	-177.8	54.5	77.6	0	0	0	113.4	I113 V133 P137 S138 G142 Y143 T146 L148 L181 V183	I113-I140 HydrophobicContact CG2-CG2 3.97Å; V133-I140 HydrophobicContact CG1-CD1 4.08Å; V133-I140 HydrophobicContact CG1-CG1 3.62Å; V133-I140 HydrophobicContact CG2-CG1 4.14Å; V133-I140 HydrophobicContact CG2-CG2 4.27Å; P137-I140 PolarHBondContact O-N 2.89Å; S138-I140 PolarHBondContact O-N 3.4Å; I140-G142 PolarHBondContact O-N 3.02Å; I140-Y143 WeakPolarHBondContact O-CB 3.48Å; I140-Y143 PolarHBondContact O-N 2.94Å; I140-T146 HydrophobicContact CB-CG2 4.3Å; I140-T146 HydrophobicContact CG2-CG2 4.21Å; I140-L148 HydrophobicContact CD1-CD1 4.37Å; I140-L181 HydrophobicContact CD1-CB 4.27Å; I140-L181 HydrophobicContact CD1-CD1 4.26Å; I140-L181 HydrophobicContact CD1-CD2 4.31Å; I140-V183 HydrophobicContact CB-CG1 4.5Å; I140-V183 HydrophobicContact CD1-CG1 3.77Å; I140-V183 HydrophobicContact CD1-CG2 4.33Å; I140-V183 WeakPolarHBondContact O-CG1 3.29Å
141	E	97.8	Very high	98	Very high	85 Å²	85	33.4 Å²	33.4	40%	0.397	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	126.4	-175.6	-173.5	175.3	-166.5	0	0	111.7	R117 P137 S138 Y143 L181	R117-E141 PolarHBondContact NH2-O 3.43Å; P137-E141 PolarHBondContact O-N 3.47Å; S138-E141 PolarHBondContact O-N 2.95Å; E141-Y143 VanDerWaalsContact C-N 3.28Å; E141-Y143 PolarHBondContact O-N 3.32Å; E141-L181 CarbonylContact C-O 3.51Å; E141-L181 WeakPolarHBondContact CA-O 3.39Å
142	G	97.8	Very high	97.9	Very high	55 Å²	55	34.1 Å²	34.1	57%	0.567	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	5.3	-178.8	0	0	0	0	0	114.9	I140 D144 L181	I140-G142 PolarHBondContact O-N 3.02Å; G142-D144 PolarHBondContact O-N 3.42Å; G142-L181 PolarHBondContact N-O 2.86Å
143	Y	98.3	Very high	97.8	Very high	17 Å²	17	37.7 Å²	37.7	7%	0.067	22%	0.219	C	C	.	.			trans	-93.5	89.7	-179	-170.2	-136.6	0	0	0	112.6	R117 N120 K121 I123 I140 E141 K145 T146 G182	R117-Y143 HydrophobicContact CB-CD1 4Å; R117-Y143 HydrophobicContact CB-CE1 4.08Å; R117-Y143 HydrophobicContact CB-CG 4.5Å; R117-Y143 HydrophobicContact CG-CD1 3.81Å; R117-Y143 HydrophobicContact CG-CD2 4.12Å; R117-Y143 HydrophobicContact CG-CE1 4.21Å; R117-Y143 HydrophobicContact CG-CE2 4.48Å; R117-Y143 HydrophobicContact CG-CG 3.8Å; N120-Y143 WeakPolarHBondContact CA-OH 3.26Å; K121-Y143 PolarHBondContact N-OH 3.5Å; K121-Y143 PolarHBondContact O-OH 3.18Å; I123-Y143 HydrophobicContact CD1-CD1 4.34Å; I123-Y143 HydrophobicContact CD1-CE1 3.81Å; I123-Y143 HydrophobicContact CG1-CE1 4.17Å; I140-Y143 WeakPolarHBondContact O-CB 3.48Å; I140-Y143 PolarHBondContact O-N 2.94Å; E141-Y143 VanDerWaalsContact C-N 3.28Å; E141-Y143 PolarHBondContact O-N 3.32Å; Y143-K145 HydrophobicContact CE1-CB 4.2Å; Y143-K145 HydrophobicContact CE2-CB 4.03Å; Y143-K145 HydrophobicContact CE2-CD 4.39Å; Y143-K145 HydrophobicContact CE2-CG 3.9Å; Y143-K145 PolarHBondContact O-N 2.71Å; Y143-K145 VanDerWaalsContact O-N 3.08Å; Y143-T146 WeakPolarHBondContact CD1-OG1 3.32Å; Y143-T146 VanDerWaalsContact O-CB 3.23Å; Y143-T146 WeakPolarHBondContact O-CB 3.38Å; Y143-T146 PolarHBondContact O-N 3.32Å; Y143-T146 PolarHBondContact O-OG1 3.21Å; Y143-G182 CarbonylContact C-O 3.59Å
144	D	97.4	Very high	97.7	Very high	83 Å²	83	39.7 Å²	39.7	44%	0.444	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.4	-170.8	76.6	-25	0	0	0	115.6	G142 T146 K234 T245	G142-D144 PolarHBondContact O-N 3.42Å; D144-T146 VanDerWaalsContact C-N 3.25Å; D144-T146 PolarHBondContact O-N 2.91Å; D144-K234 IonicContact OD2-NZ 3.65Å; D144-T245 VanDerWaalsContact O-CG2 3.25Å; D144-T245 WeakPolarHBondContact O-CG2 3.12Å
145	K	98.3	Very high	97.7	Very high	14 Å²	14	39.1 Å²	39.1	6%	0.061	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.2	173	-44.4	-159.5	172.9	178.5	0	114	N120 P122 I123 Y143 N227 H231	N120-K145 PolarHBondContact ND2-NZ 2.64Å; N120-K145 PolarHBondContact O-NZ 3.48Å; N120-K145 WeakPolarHBondContact OD1-CE 3.49Å; N120-K145 PolarHBondContact OD1-NZ 2.86Å; P122-K145 HydrophobicContact CB-CB 4.41Å; P122-K145 HydrophobicContact CG-CD 4.3Å; I123-K145 PolarHBondContact N-O 2.97Å; Y143-K145 HydrophobicContact CE1-CB 4.2Å; Y143-K145 HydrophobicContact CE2-CB 4.03Å; Y143-K145 HydrophobicContact CE2-CD 4.39Å; Y143-K145 HydrophobicContact CE2-CG 3.9Å; Y143-K145 PolarHBondContact O-N 2.71Å; Y143-K145 VanDerWaalsContact O-N 3.08Å; K145-N227 PolarHBondContact O-ND2 3.18Å; K145-H231 WeakPolarHBondContact CG-CE1 3.42Å
146	T	98.8	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.2	179.9	-50.2	0	0	0	0	111.3	I123 I125 I140 Y143 D144 L148 V183 T184	I123-T146 HydrophobicContact CG2-CG2 4.47Å; I123-T146 CarbonylContact O-C 3.59Å; I123-T146 WeakPolarHBondContact O-CA 3.08Å; I125-T146 HydrophobicContact CG1-CG2 4.05Å; I140-T146 HydrophobicContact CB-CG2 4.3Å; I140-T146 HydrophobicContact CG2-CG2 4.21Å; Y143-T146 WeakPolarHBondContact CD1-OG1 3.32Å; Y143-T146 VanDerWaalsContact O-CB 3.23Å; Y143-T146 WeakPolarHBondContact O-CB 3.38Å; Y143-T146 PolarHBondContact O-N 3.32Å; Y143-T146 PolarHBondContact O-OG1 3.21Å; D144-T146 VanDerWaalsContact C-N 3.25Å; D144-T146 PolarHBondContact O-N 2.91Å; T146-L148 HydrophobicContact CG2-CD2 3.75Å; T146-V183 HydrophobicContact CG2-CG1 4.35Å; T146-T184 PolarHBondContact O-N 3.42Å
147	I	98.9	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.6	167.6	-51.2	172.5	0	0	0	109.4	I123 V124 I125 T149 T184 V186 M223 N227 T245 A248 A249	I123-I147 PolarHBondContact O-N 3.48Å; V124-I147 CarbonylContact C-O 3.55Å; V124-I147 WeakPolarHBondContact CA-O 3.34Å; I125-I147 PolarHBondContact N-O 2.97Å; I147-T149 HydrophobicContact CG2-CG2 4.43Å; I147-T184 CarbonylContact C-O 3.51Å; I147-T184 VanDerWaalsContact CA-O 3.32Å; I147-T184 WeakPolarHBondContact CA-O 3.41Å; I147-T184 HydrophobicContact CG2-CG2 4.36Å; I147-V186 HydrophobicContact CG2-CG2 3.65Å; I147-M223 HydrophobicContact CB-SD 4.07Å; I147-M223 HydrophobicContact CD1-CG 3.93Å; I147-M223 HydrophobicContact CD1-SD 4.03Å; I147-M223 HydrophobicContact CG2-SD 3.45Å; I147-M223 WeakPolarHBondContact CG2-SD 3.34Å; I147-N227 HydrophobicContact CD1-CB 4.19Å; I147-T245 HydrophobicContact CD1-CG2 4.32Å; I147-T245 HydrophobicContact CG1-CG2 3.93Å; I147-A248 HydrophobicContact CD1-CB 4.07Å; I147-A249 HydrophobicContact CG2-CB 4.46Å
148	L	98.9	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137	171.8	-51.2	-173.9	0	0	0	109.3	I125 L130 I140 T146 P150 L158 L181 V183 T184 I185 V186	I125-L148 HydrophobicContact CB-CD2 3.54Å; I125-L148 HydrophobicContact CG1-CD2 3.7Å; I125-L148 HydrophobicContact CG2-CD2 4.12Å; L130-L148 HydrophobicContact CD2-CB 3.88Å; L130-L148 HydrophobicContact CD2-CD2 4.31Å; I140-L148 HydrophobicContact CD1-CD1 4.37Å; T146-L148 HydrophobicContact CG2-CD2 3.75Å; L148-P150 VanDerWaalsContact O-CD 3.26Å; L148-P150 WeakPolarHBondContact O-CD 3.11Å; L148-L158 HydrophobicContact CD1-CD2 3.67Å; L148-L181 HydrophobicContact CD1-CD1 4.22Å; L148-V183 HydrophobicContact CD1-CG2 3.91Å; L148-V183 HydrophobicContact CG-CG2 4.04Å; L148-T184 PolarHBondContact N-O 3.02Å; L148-I185 HydrophobicContact CB-CG1 4.46Å; L148-I185 HydrophobicContact CD1-CG1 4.43Å; L148-V186 PolarHBondContact O-N 3.35Å
149	T	98.6	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.			trans	-117.3	53.4	-177.7	52.5	0	0	0	0	114.1	V124 I125 D126 I147 V186 K188 M223	V124-T149 HydrophobicContact CG1-CG2 4.24Å; I125-T149 PolarHBondContact O-N 2.84Å; I125-T149 VanDerWaalsContact O-N 3.07Å; I125-T149 PolarHBondContact O-OG1 2.83Å; D126-T149 WeakPolarHBondContact CA-OG1 3.35Å; D126-T149 VanDerWaalsContact CB-OG1 3.23Å; D126-T149 WeakPolarHBondContact CB-OG1 3.32Å; D126-T149 PolarHBondContact OD1-OG1 2.91Å; I147-T149 HydrophobicContact CG2-CG2 4.43Å; T149-V186 CarbonylContact C-O 3.58Å; T149-V186 WeakPolarHBondContact CA-O 3.45Å; T149-V186 HydrophobicContact CG2-CB 4.17Å; T149-V186 HydrophobicContact CG2-CG2 4.46Å; T149-K188 WeakPolarHBondContact O-CD 3.41Å; T149-K188 WeakPolarHBondContact O-CE 3.25Å; T149-K188 PolarHBondContact O-NZ 2.99Å; T149-M223 HydrophobicContact CG2-CE 3.77Å; T149-M223 HydrophobicContact CG2-SD 3.62Å
150	P	98.2	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.			trans	-70.6	140.6	-176.4	30.9	-37.1	0	0	0	113.5	L130 L148 E154 F155 I185 V186 K188	L130-P150 HydrophobicContact CD1-CB 4.12Å; L148-P150 VanDerWaalsContact O-CD 3.26Å; L148-P150 WeakPolarHBondContact O-CD 3.11Å; P150-E154 WeakPolarHBondContact CA-OE2 3.34Å; P150-E154 HydrophobicContact CB-CB 3.74Å; P150-F155 HydrophobicContact CB-CB 3.96Å; P150-F155 HydrophobicContact CG-CB 4.15Å; P150-F155 HydrophobicContact CG-CD2 3.97Å; P150-I185 HydrophobicContact CG-CG2 3.88Å; P150-V186 VanDerWaalsContact CD-O 3.3Å; P150-V186 WeakPolarHBondContact CD-O 3.37Å; P150-K188 PolarHBondContact O-N 3.12Å
151	N	96.1	Very high	97.8	Very high	54 Å²	54	43.6 Å²	43.6	29%	0.289	23%	0.231	S	C	.	.			trans	-76.2	176.1	158.7	71.1	50	0	0	0	111.2	V153 E154 F155	N151-V153 VanDerWaalsContact C-N 3.27Å; N151-V153 PolarHBondContact O-N 2.89Å; N151-V153 WeakPolarHBondContact OD1-CA 3.02Å; N151-V153 WeakPolarHBondContact OD1-CB 3.23Å; N151-V153 PolarHBondContact OD1-N 2.84Å; N151-E154 VanDerWaalsContact CG-OE2 3.25Å; N151-E154 PolarHBondContact N-OE2 3Å; N151-E154 PolarHBondContact ND2-OE1 3.39Å; N151-E154 VanDerWaalsContact ND2-OE1 3.09Å; N151-E154 PolarHBondContact ND2-OE2 3.38Å; N151-E154 PolarHBondContact O-N 3.09Å; N151-E154 PolarHBondContact OD1-N 2.86Å; N151-F155 WeakPolarHBondContact O-CB 3.43Å; N151-F155 PolarHBondContact O-N 2.91Å
152	V	95.7	Very high	97.7	Very high	89 Å²	89	41.1 Å²	41.1	54%	0.539	22%	0.221	S	C	.	.	H	α-helix	trans	-52.6	-40.8	-178.3	179.8	0	0	0	0	113.4	S156	V152-S156 PolarHBondContact O-N 2.79Å; V152-S156 VanDerWaalsContact O-N 3.16Å; V152-S156 PolarHBondContact O-OG 3.42Å; V152-S156 VanDerWaalsContact O-OG 3.1Å
153	V	95.8	Very high	97.7	Very high	82 Å²	82	41.8 Å²	41.8	50%	0.497	21%	0.208	S	C	.	.	H	α-helix	trans	-73.9	-45.4	-178.8	178.7	0	0	0	0	111.2	N151 F155 R157	N151-V153 VanDerWaalsContact C-N 3.27Å; N151-V153 PolarHBondContact O-N 2.89Å; N151-V153 WeakPolarHBondContact OD1-CA 3.02Å; N151-V153 WeakPolarHBondContact OD1-CB 3.23Å; N151-V153 PolarHBondContact OD1-N 2.84Å; V153-F155 VanDerWaalsContact C-N 3.31Å; V153-R157 WeakPolarHBondContact O-CG 3.42Å; V153-R157 PolarHBondContact O-N 2.83Å
154	E	97.5	Very high	97.6	Very high	41 Å²	41	45.6 Å²	45.6	19%	0.192	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-40.7	176.8	-69.6	158.4	177.4	0	0	111.1	L130 P150 N151 R157 L158	L130-E154 HydrophobicContact CD1-CB 4.33Å; L130-E154 HydrophobicContact CD1-CG 4.46Å; P150-E154 WeakPolarHBondContact CA-OE2 3.34Å; P150-E154 HydrophobicContact CB-CB 3.74Å; N151-E154 VanDerWaalsContact CG-OE2 3.25Å; N151-E154 PolarHBondContact N-OE2 3Å; N151-E154 PolarHBondContact ND2-OE1 3.39Å; N151-E154 VanDerWaalsContact ND2-OE1 3.09Å; N151-E154 PolarHBondContact ND2-OE2 3.38Å; N151-E154 PolarHBondContact O-N 3.09Å; N151-E154 PolarHBondContact OD1-N 2.86Å; E154-R157 PolarHBondContact O-N 2.95Å; E154-L158 WeakPolarHBondContact O-CB 3.16Å; E154-L158 PolarHBondContact O-N 2.87Å
155	F	98.2	Very high	97.5	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-50.5	179	-178.9	-89.3	0	0	0	110.8	P150 N151 V153 R157 L158 Y159 P167 A173 T174 L177 I185 H187	P150-F155 HydrophobicContact CB-CB 3.96Å; P150-F155 HydrophobicContact CG-CB 4.15Å; P150-F155 HydrophobicContact CG-CD2 3.97Å; N151-F155 WeakPolarHBondContact O-CB 3.43Å; N151-F155 PolarHBondContact O-N 2.91Å; V153-F155 VanDerWaalsContact C-N 3.31Å; F155-R157 VanDerWaalsContact C-N 3.27Å; F155-R157 PolarHBondContact O-N 3.44Å; F155-L158 PolarHBondContact O-N 3.02Å; F155-Y159 HydrophobicContact CE1-CD2 4.06Å; F155-Y159 HydrophobicContact CE1-CG 4.41Å; F155-Y159 HydrophobicContact CZ-CD2 4.04Å; F155-Y159 VanDerWaalsContact O-CB 3.25Å; F155-Y159 WeakPolarHBondContact O-CB 3.39Å; F155-Y159 PolarHBondContact O-N 3.29Å; F155-P167 HydrophobicContact CD1-CG 4.34Å; F155-P167 HydrophobicContact CE1-CB 3.91Å; F155-P167 HydrophobicContact CE1-CG 4.15Å; F155-A173 HydrophobicContact CE1-CB 4.01Å; F155-A173 HydrophobicContact CZ-CB 3.96Å; F155-T174 HydrophobicContact CE2-CG2 4.33Å; F155-L177 HydrophobicContact CD2-CD2 4.18Å; F155-L177 HydrophobicContact CE2-CD2 3.71Å; F155-L177 HydrophobicContact CZ-CD2 4.09Å; F155-I185 HydrophobicContact CD2-CG2 4.33Å; F155-I185 HydrophobicContact CE2-CG2 4.26Å; F155-H187 AromaticContact CD1-CE1 3.31Å; F155-H187 WeakPolarHBondContact CD1-CE1 3.4Å; F155-H187 AromaticContact CD1-ND1 3.69Å; F155-H187 HydrophobicContact CD2-CB 4.26Å; F155-H187 AromaticContact CD2-CE1 3.82Å; F155-H187 AromaticContact CD2-CG 3.84Å; F155-H187 AromaticContact CD2-ND1 3.45Å; F155-H187 WeakPolarHBondContact CD2-ND1 3.49Å; F155-H187 AromaticContact CE1-CE1 3.8Å; F155-H187 AromaticContact CE1-ND1 3.87Å; F155-H187 AromaticContact CE2-ND1 3.63Å; F155-H187 AromaticContact CG-CE1 3.33Å; F155-H187 WeakPolarHBondContact CG-CE1 3.32Å; F155-H187 AromaticContact CG-ND1 3.49Å; F155-H187 WeakPolarHBondContact CG-ND1 3.46Å; F155-H187 AromaticContact CG-NE2 3.84Å; F155-H187 AromaticContact CZ-ND1 3.85Å
156	S	97.5	Very high	97.2	Very high	33 Å²	33	49.4 Å²	49.4	23%	0.231	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-36.6	179.1	-63.7	0	0	0	0	112.5	V152 Y160	V152-S156 PolarHBondContact O-N 2.79Å; V152-S156 VanDerWaalsContact O-N 3.16Å; V152-S156 PolarHBondContact O-OG 3.42Å; V152-S156 VanDerWaalsContact O-OG 3.1Å; S156-Y160 VanDerWaalsContact O-CB 3.31Å; S156-Y160 WeakPolarHBondContact O-CB 3.47Å; S156-Y160 PolarHBondContact O-N 2.97Å
157	R	97.8	Very high	96.9	Very high	153 Å²	153	51 Å²	51	58%	0.577	27%	0.269	S	S	*	.	H	α-helix	trans	-66.4	-47.3	175.4	-71.3	171.7	178.4	178.1	-0.8	112	T134 V153 E154 F155 Y160 S161	T134-R157 HydrophobicContact CG2-CB 4.29Å; V153-R157 WeakPolarHBondContact O-CG 3.42Å; V153-R157 PolarHBondContact O-N 2.83Å; E154-R157 PolarHBondContact O-N 2.95Å; F155-R157 VanDerWaalsContact C-N 3.27Å; F155-R157 PolarHBondContact O-N 3.44Å; R157-Y160 PolarHBondContact O-N 3.26Å; R157-S161 PolarHBondContact O-N 3.49Å
158	L	98.2	Very high	96.1	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-44	177.7	-179.7	60.8	0	0	0	111.3	V133 L148 E154 F155 Y160 S161 V162 L177 L181	V133-L158 HydrophobicContact CG1-CD1 4.21Å; L148-L158 HydrophobicContact CD1-CD2 3.67Å; E154-L158 WeakPolarHBondContact O-CB 3.16Å; E154-L158 PolarHBondContact O-N 2.87Å; F155-L158 PolarHBondContact O-N 3.02Å; L158-Y160 PolarHBondContact O-N 3.04Å; L158-S161 WeakPolarHBondContact O-CB 3.43Å; L158-S161 PolarHBondContact O-N 3.46Å; L158-V162 HydrophobicContact CD1-CG2 4.45Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 3.37Å; L158-V162 VanDerWaalsContact O-N 3.12Å; L158-L177 HydrophobicContact CD2-CD2 4.06Å; L158-L177 HydrophobicContact CG-CD2 4.06Å; L158-L181 HydrophobicContact CD1-CD1 4.5Å; L158-L181 HydrophobicContact CD2-CD1 4.3Å
159	Y	98.3	Very high	95.7	Very high	30 Å²	30	65.7 Å²	65.7	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-46.3	177.4	-169.8	-82.3	0	0	0	111.4	F155 S161 V162 F163 S165 P167 A173 L177	F155-Y159 HydrophobicContact CE1-CD2 4.06Å; F155-Y159 HydrophobicContact CE1-CG 4.41Å; F155-Y159 HydrophobicContact CZ-CD2 4.04Å; F155-Y159 VanDerWaalsContact O-CB 3.25Å; F155-Y159 WeakPolarHBondContact O-CB 3.39Å; F155-Y159 PolarHBondContact O-N 3.29Å; Y159-S161 VanDerWaalsContact C-N 3.34Å; Y159-S161 PolarHBondContact O-N 3.06Å; Y159-V162 PolarHBondContact O-N 2.74Å; Y159-F163 HydrophobicContact CD1-CB 4.38Å; Y159-F163 HydrophobicContact CD1-CD2 4.07Å; Y159-F163 AromaticContact CD2-CD2 3.84Å; Y159-F163 HydrophobicContact CD2-CD2 3.84Å; Y159-F163 HydrophobicContact CD2-CE2 4.08Å; Y159-F163 HydrophobicContact CE1-CB 4Å; Y159-F163 AromaticContact CE1-CD2 3.82Å; Y159-F163 HydrophobicContact CE1-CD2 3.82Å; Y159-F163 HydrophobicContact CE1-CG 4.25Å; Y159-F163 AromaticContact CE2-CD2 3.56Å; Y159-F163 HydrophobicContact CE2-CD2 3.56Å; Y159-F163 AromaticContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CG-CD2 4.08Å; Y159-F163 AromaticContact CZ-CD2 3.55Å; Y159-F163 PolarHBondContact O-N 2.97Å; Y159-S165 VanDerWaalsContact CD1-O 3.3Å; Y159-S165 WeakPolarHBondContact CD1-O 3.33Å; Y159-P167 HydrophobicContact CD1-CB 4.01Å; Y159-P167 HydrophobicContact CD1-CG 4.36Å; Y159-P167 HydrophobicContact CD2-CB 4.22Å; Y159-P167 HydrophobicContact CE1-CB 4.2Å; Y159-P167 HydrophobicContact CE2-CB 4.41Å; Y159-P167 HydrophobicContact CG-CB 4.03Å; Y159-P167 HydrophobicContact CG-CG 4.39Å; Y159-A173 HydrophobicContact CD2-CB 4.02Å; Y159-A173 HydrophobicContact CE2-CB 3.56Å; Y159-L177 HydrophobicContact CD2-CB 4.08Å; Y159-L177 HydrophobicContact CD2-CD1 4.49Å; Y159-L177 HydrophobicContact CD2-CD2 4.24Å; Y159-L177 HydrophobicContact CE2-CB 4.48Å
160	Y	97.5	Very high	95.3	Very high	125 Å²	125	68.9 Å²	68.9	49%	0.49	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-38.9	176.4	-174.9	-95.8	0	0	0	112.4	S156 R157 L158 V162 S164 S165	S156-Y160 VanDerWaalsContact O-CB 3.31Å; S156-Y160 WeakPolarHBondContact O-CB 3.47Å; S156-Y160 PolarHBondContact O-N 2.97Å; R157-Y160 PolarHBondContact O-N 3.26Å; L158-Y160 PolarHBondContact O-N 3.04Å; Y160-V162 VanDerWaalsContact C-N 3.27Å; Y160-V162 PolarHBondContact O-N 3.08Å; Y160-S164 WeakPolarHBondContact O-CA 3.16Å; Y160-S164 PolarHBondContact O-N 3.32Å; Y160-S165 WeakPolarHBondContact CA-O 3.18Å
161	S	97.3	Very high	95.1	Very high	51 Å²	51	73 Å²	73	36%	0.357	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-35.6	175.6	-178.9	0	0	0	0	112.6	T134 R157 L158 Y159	T134-S161 WeakPolarHBondContact O-CB 3.14Å; T134-S161 PolarHBondContact O-OG 3.1Å; R157-S161 PolarHBondContact O-N 3.49Å; L158-S161 WeakPolarHBondContact O-CB 3.43Å; L158-S161 PolarHBondContact O-N 3.46Å; Y159-S161 VanDerWaalsContact C-N 3.34Å; Y159-S161 PolarHBondContact O-N 3.06Å
162	V	97.5	Very high	95.2	Very high	33 Å²	33	75.1 Å²	75.1	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-86.5	-39.2	-177.7	175.3	0	0	0	0	113	P137 L158 Y159 Y160 L177 K180 L181	P137-V162 HydrophobicContact CB-CG2 4.2Å; P137-V162 HydrophobicContact CG-CG2 4.17Å; L158-V162 HydrophobicContact CD1-CG2 4.45Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 3.37Å; L158-V162 VanDerWaalsContact O-N 3.12Å; Y159-V162 PolarHBondContact O-N 2.74Å; Y160-V162 VanDerWaalsContact C-N 3.27Å; Y160-V162 PolarHBondContact O-N 3.08Å; V162-L177 HydrophobicContact CB-CD1 3.77Å; V162-L177 HydrophobicContact CG1-CD1 3.97Å; V162-L177 HydrophobicContact CG2-CD1 3.76Å; V162-K180 HydrophobicContact CG1-CB 4.38Å; V162-K180 HydrophobicContact CG1-CG 3.53Å; V162-L181 HydrophobicContact CG2-CD1 4.35Å; V162-L181 HydrophobicContact CG2-CD2 3.9Å; V162-L181 HydrophobicContact CG2-CG 4.31Å
163	F	97.2	Very high	95.3	Very high	68 Å²	68	71 Å²	71	30%	0.298	36%	0.356	S	S	.	.	H	α-helix	trans	-113.5	-2.9	-170.9	-67.4	-69.5	0	0	0	114.9	Y159 S165 L177 K180	Y159-F163 HydrophobicContact CD1-CB 4.38Å; Y159-F163 HydrophobicContact CD1-CD2 4.07Å; Y159-F163 AromaticContact CD2-CD2 3.84Å; Y159-F163 HydrophobicContact CD2-CD2 3.84Å; Y159-F163 HydrophobicContact CD2-CE2 4.08Å; Y159-F163 HydrophobicContact CE1-CB 4Å; Y159-F163 AromaticContact CE1-CD2 3.82Å; Y159-F163 HydrophobicContact CE1-CD2 3.82Å; Y159-F163 HydrophobicContact CE1-CG 4.25Å; Y159-F163 AromaticContact CE2-CD2 3.56Å; Y159-F163 HydrophobicContact CE2-CD2 3.56Å; Y159-F163 AromaticContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CE2-CE2 3.69Å; Y159-F163 HydrophobicContact CG-CD2 4.08Å; Y159-F163 AromaticContact CZ-CD2 3.55Å; Y159-F163 PolarHBondContact O-N 2.97Å; F163-S165 PolarHBondContact O-N 2.95Å; F163-S165 PolarHBondContact O-OG 3.42Å; F163-L177 HydrophobicContact CD2-CD1 4.26Å; F163-L177 HydrophobicContact CE2-CB 4.14Å; F163-L177 HydrophobicContact CE2-CD1 3.83Å; F163-K180 HydrophobicContact CE1-CB 4.18Å; F163-K180 HydrophobicContact CE1-CG 4.07Å; F163-K180 HydrophobicContact CE2-CB 4.49Å; F163-K180 HydrophobicContact CZ-CB 3.64Å; F163-K180 HydrophobicContact CZ-CG 3.92Å
164	S	96.1	Very high	95.4	Very high	97 Å²	97	67.1 Å²	67.1	68%	0.678	33%	0.333	S	S	*	.	S	Bend	trans	52.4	27	-176	-57.9	0	0	0	0	113.9	Y160	Y160-S164 WeakPolarHBondContact O-CA 3.16Å; Y160-S164 PolarHBondContact O-N 3.32Å
165	S	95.1	Very high	95.4	Very high	54 Å²	54	70.4 Å²	70.4	38%	0.378	34%	0.343	S	S	.	.	S	Bend	trans	-146.8	163.6	-177.1	55.4	0	0	0	0	110.4	Y159 Y160 F163	Y159-S165 VanDerWaalsContact CD1-O 3.3Å; Y159-S165 WeakPolarHBondContact CD1-O 3.33Å; Y160-S165 WeakPolarHBondContact CA-O 3.18Å; F163-S165 PolarHBondContact O-N 2.95Å; F163-S165 PolarHBondContact O-OG 3.42Å
166	Q	92.8	Very high	95.4	Very high	124 Å²	124	72.7 Å²	72.7	58%	0.579	36%	0.36	S	S	*	.			trans	-87.1	146.5	178.1	-66.1	-61.7	-39.7	0	0	110.8
167	P	92	Very high	95.5	Very high	33 Å²	33	71.1 Å²	71.1	21%	0.214	35%	0.349	C	S	.	.			trans	-69.2	139.6	174.1	30	-33.9	0	0	0	110.6	F155 Y159 A173	F155-P167 HydrophobicContact CD1-CG 4.34Å; F155-P167 HydrophobicContact CE1-CB 3.91Å; F155-P167 HydrophobicContact CE1-CG 4.15Å; Y159-P167 HydrophobicContact CD1-CB 4.01Å; Y159-P167 HydrophobicContact CD1-CG 4.36Å; Y159-P167 HydrophobicContact CD2-CB 4.22Å; Y159-P167 HydrophobicContact CE1-CB 4.2Å; Y159-P167 HydrophobicContact CE2-CB 4.41Å; Y159-P167 HydrophobicContact CG-CB 4.03Å; Y159-P167 HydrophobicContact CG-CG 4.39Å; P167-A173 HydrophobicContact CB-CB 3.66Å
168	Y	81.9	Confident	95.5	Very high	234 Å²	234	63.9 Å²	63.9	92%	0.918	32%	0.321	S	S	*	.	S	Bend	trans	-103.7	-65.9	179.3	-174.4	-98.5	0	0	0	111.8
169	D	89.8	Confident	95.5	Very high	75 Å²	75	69.5 Å²	69.5	40%	0.401	35%	0.348	S	S	.	.	S	Bend	trans	-94.3	128.7	171.6	179.8	-84.5	0	0	0	109.9	K171 D172 A173	D169-K171 PolarHBondContact O-N 3.11Å; D169-K171 WeakPolarHBondContact OD1-CA 3.39Å; D169-K171 WeakPolarHBondContact OD1-CB 3.46Å; D169-K171 PolarHBondContact OD1-N 3.38Å; D169-D172 HydrophobicContact CB-CB 4.2Å; D169-D172 PolarHBondContact OD1-N 2.91Å; D169-A173 WeakPolarHBondContact O-CA 3.45Å; D169-A173 WeakPolarHBondContact O-CB 3.46Å; D169-A173 PolarHBondContact O-N 3.16Å
170	T	90.2	Very high	95.5	Very high	66 Å²	66	73.3 Å²	73.3	41%	0.405	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-38.3	-174.4	-48.3	0	0	0	0	112.6	T174 H187 I193	T170-T174 VanDerWaalsContact O-CB 3.28Å; T170-T174 WeakPolarHBondContact O-CB 3.36Å; T170-T174 PolarHBondContact O-N 2.82Å; T170-T174 PolarHBondContact O-OG1 2.86Å; T170-H187 WeakPolarHBondContact CG2-CE1 3.47Å; T170-H187 VanDerWaalsContact CG2-ND1 3.3Å; T170-H187 WeakPolarHBondContact CG2-ND1 3.23Å; T170-I193 HydrophobicContact CG2-CD1 3.57Å
171	K	95.6	Very high	95.6	Very high	88 Å²	88	67.6 Å²	67.6	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-74.4	-47.6	-175.7	-174.2	-179.5	178	177.7	0	110.7	D169 T174 R175 I193 T200	D169-K171 PolarHBondContact O-N 3.11Å; D169-K171 WeakPolarHBondContact OD1-CA 3.39Å; D169-K171 WeakPolarHBondContact OD1-CB 3.46Å; D169-K171 PolarHBondContact OD1-N 3.38Å; K171-T174 PolarHBondContact O-N 3.1Å; K171-R175 PolarHBondContact O-N 2.9Å; K171-I193 HydrophobicContact CB-CD1 4.38Å; K171-I193 HydrophobicContact CG-CG2 4.41Å; K171-T200 HydrophobicContact CG-CG2 3.9Å
172	D	96.8	Very high	95.6	Very high	97 Å²	97	66.5 Å²	66.5	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-67.6	-42.8	177.5	-69.7	-23.1	0	0	0	110.8	D169 T174 R175 S176	D169-D172 HydrophobicContact CB-CB 4.2Å; D169-D172 PolarHBondContact OD1-N 2.91Å; D172-T174 VanDerWaalsContact C-N 3.3Å; D172-T174 PolarHBondContact O-N 3.23Å; D172-R175 PolarHBondContact O-N 2.78Å; D172-S176 WeakPolarHBondContact O-CB 3.37Å; D172-S176 PolarHBondContact O-N 2.96Å; D172-S176 PolarHBondContact O-OG 3.06Å
173	A	97.9	Very high	95.7	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.033	33%	0.331	C	S	.	.	H	α-helix	trans	-59.9	-41	174.8	0	0	0	0	0	112	F155 Y159 P167 D169 L177	F155-A173 HydrophobicContact CE1-CB 4.01Å; F155-A173 HydrophobicContact CZ-CB 3.96Å; Y159-A173 HydrophobicContact CD2-CB 4.02Å; Y159-A173 HydrophobicContact CE2-CB 3.56Å; P167-A173 HydrophobicContact CB-CB 3.66Å; D169-A173 WeakPolarHBondContact O-CA 3.45Å; D169-A173 WeakPolarHBondContact O-CB 3.46Å; D169-A173 PolarHBondContact O-N 3.16Å; A173-L177 VanDerWaalsContact O-CB 3.26Å; A173-L177 WeakPolarHBondContact O-CB 2.97Å; A173-L177 PolarHBondContact O-N 2.67Å
174	T	98.5	Very high	95.8	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-42.2	178.1	-57.3	0	0	0	0	110.8	F155 T170 K171 D172 A178 I185 H187 I193	F155-T174 HydrophobicContact CE2-CG2 4.33Å; T170-T174 VanDerWaalsContact O-CB 3.28Å; T170-T174 WeakPolarHBondContact O-CB 3.36Å; T170-T174 PolarHBondContact O-N 2.82Å; T170-T174 PolarHBondContact O-OG1 2.86Å; K171-T174 PolarHBondContact O-N 3.1Å; D172-T174 VanDerWaalsContact C-N 3.3Å; D172-T174 PolarHBondContact O-N 3.23Å; T174-A178 VanDerWaalsContact O-CB 3.24Å; T174-A178 WeakPolarHBondContact O-CB 3.38Å; T174-A178 PolarHBondContact O-N 2.93Å; T174-I185 HydrophobicContact CG2-CB 4.08Å; T174-I185 HydrophobicContact CG2-CG2 3.91Å; T174-H187 HydrophobicContact CG2-CB 4.04Å; T174-H187 PolarHBondContact OG1-ND1 3.29Å; T174-I193 HydrophobicContact CG2-CG2 3.97Å
175	R	98.3	Very high	95.9	Very high	110 Å²	110	57.3 Å²	57.3	42%	0.415	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-52.1	175.1	-176.3	-175.1	177.1	179.6	-2.5	111.9	K171 D172 L177 A178 E179 S195 G197	K171-R175 PolarHBondContact O-N 2.9Å; D172-R175 PolarHBondContact O-N 2.78Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.21Å; R175-A178 PolarHBondContact O-N 3.43Å; R175-E179 WeakPolarHBondContact O-CB 3.44Å; R175-E179 PolarHBondContact O-N 2.92Å; R175-S195 WeakPolarHBondContact CA-OG 3.48Å; R175-G197 VanDerWaalsContact CG-O 3.32Å; R175-G197 WeakPolarHBondContact CG-O 3.35Å; R175-G197 PolarHBondContact NE-O 3.26Å; R175-G197 WeakPolarHBondContact O-CA 3.38Å
176	S	98.1	Very high	96.1	Very high	50 Å²	50	54.8 Å²	54.8	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-39.5	-178.3	-62.5	0	0	0	0	112.2	D172 K180	D172-S176 WeakPolarHBondContact O-CB 3.37Å; D172-S176 PolarHBondContact O-N 2.96Å; D172-S176 PolarHBondContact O-OG 3.06Å; S176-K180 VanDerWaalsContact O-CB 3.23Å; S176-K180 WeakPolarHBondContact O-CB 3.46Å; S176-K180 PolarHBondContact O-N 3.08Å
177	L	98.5	Very high	96.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-43.4	176.3	-173.7	62.2	0	0	0	111.8	F155 L158 Y159 V162 F163 A173 R175 K180 L181 I185	F155-L177 HydrophobicContact CD2-CD2 4.18Å; F155-L177 HydrophobicContact CE2-CD2 3.71Å; F155-L177 HydrophobicContact CZ-CD2 4.09Å; L158-L177 HydrophobicContact CD2-CD2 4.06Å; L158-L177 HydrophobicContact CG-CD2 4.06Å; Y159-L177 HydrophobicContact CD2-CB 4.08Å; Y159-L177 HydrophobicContact CD2-CD1 4.49Å; Y159-L177 HydrophobicContact CD2-CD2 4.24Å; Y159-L177 HydrophobicContact CE2-CB 4.48Å; V162-L177 HydrophobicContact CB-CD1 3.77Å; V162-L177 HydrophobicContact CG1-CD1 3.97Å; V162-L177 HydrophobicContact CG2-CD1 3.76Å; F163-L177 HydrophobicContact CD2-CD1 4.26Å; F163-L177 HydrophobicContact CE2-CB 4.14Å; F163-L177 HydrophobicContact CE2-CD1 3.83Å; A173-L177 VanDerWaalsContact O-CB 3.26Å; A173-L177 WeakPolarHBondContact O-CB 2.97Å; A173-L177 PolarHBondContact O-N 2.67Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.21Å; L177-K180 PolarHBondContact O-N 3.4Å; L177-L181 HydrophobicContact CD1-CD1 3.9Å; L177-L181 HydrophobicContact CD1-CG 4.28Å; L177-L181 HydrophobicContact CG-CD1 4.09Å; L177-L181 WeakPolarHBondContact O-CB 3.15Å; L177-L181 WeakPolarHBondContact O-CG 3.18Å; L177-L181 PolarHBondContact O-N 3.5Å; L177-I185 HydrophobicContact CB-CD1 3.77Å; L177-I185 HydrophobicContact CD2-CD1 3.65Å; L177-I185 HydrophobicContact CG-CD1 3.46Å; L177-I185 VanDerWaalsContact CG-CD1 3.46Å
178	A	98.7	Very high	96.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-44.2	176.7	0	0	0	0	0	111.7	T174 R175 G182 V183 I185 S195	T174-A178 VanDerWaalsContact O-CB 3.24Å; T174-A178 WeakPolarHBondContact O-CB 3.38Å; T174-A178 PolarHBondContact O-N 2.93Å; R175-A178 PolarHBondContact O-N 3.43Å; A178-G182 WeakPolarHBondContact O-CA 3.22Å; A178-G182 PolarHBondContact O-N 3.31Å; A178-V183 WeakPolarHBondContact CB-O 3.34Å; A178-V183 PolarHBondContact O-N 3.46Å; A178-V183 VanDerWaalsContact O-N 3.16Å; A178-I185 HydrophobicContact CB-CB 4.35Å; A178-I185 HydrophobicContact CB-CD1 3.97Å; A178-I185 HydrophobicContact CB-CG1 3.94Å; A178-S195 VanDerWaalsContact CB-O 3.32Å; A178-S195 WeakPolarHBondContact CB-O 3.39Å
179	E	98.3	Very high	97.1	Very high	121 Å²	121	39.7 Å²	39.7	57%	0.565	21%	0.208	S	C	*	.	H	α-helix	trans	-62.2	-48	175.9	-173.8	172.3	-168.7	0	0	111.6	R175 L181 G182	R175-E179 WeakPolarHBondContact O-CB 3.44Å; R175-E179 PolarHBondContact O-N 2.92Å; E179-L181 VanDerWaalsContact C-N 3.34Å; E179-L181 PolarHBondContact O-N 2.95Å; E179-G182 PolarHBondContact O-N 3.26Å
180	K	98.2	Very high	97.1	Very high	110 Å²	110	41.3 Å²	41.3	48%	0.478	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-39	-178.4	176.7	56.5	-169.9	158.8	0	112.6	V162 F163 S176 L177	V162-K180 HydrophobicContact CG1-CB 4.38Å; V162-K180 HydrophobicContact CG1-CG 3.53Å; F163-K180 HydrophobicContact CE1-CB 4.18Å; F163-K180 HydrophobicContact CE1-CG 4.07Å; F163-K180 HydrophobicContact CE2-CB 4.49Å; F163-K180 HydrophobicContact CZ-CB 3.64Å; F163-K180 HydrophobicContact CZ-CG 3.92Å; S176-K180 VanDerWaalsContact O-CB 3.23Å; S176-K180 WeakPolarHBondContact O-CB 3.46Å; S176-K180 PolarHBondContact O-N 3.08Å; L177-K180 PolarHBondContact O-N 3.4Å
181	L	98.4	Very high	97.3	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-84.5	-15.4	178	-68.7	176.1	0	0	0	113	P137 I140 E141 G142 L148 L158 V162 L177 E179 V183	P137-L181 HydrophobicContact CB-CD2 3.89Å; I140-L181 HydrophobicContact CD1-CB 4.27Å; I140-L181 HydrophobicContact CD1-CD1 4.26Å; I140-L181 HydrophobicContact CD1-CD2 4.31Å; E141-L181 CarbonylContact C-O 3.51Å; E141-L181 WeakPolarHBondContact CA-O 3.39Å; G142-L181 PolarHBondContact N-O 2.86Å; L148-L181 HydrophobicContact CD1-CD1 4.22Å; L158-L181 HydrophobicContact CD1-CD1 4.5Å; L158-L181 HydrophobicContact CD2-CD1 4.3Å; V162-L181 HydrophobicContact CG2-CD1 4.35Å; V162-L181 HydrophobicContact CG2-CD2 3.9Å; V162-L181 HydrophobicContact CG2-CG 4.31Å; L177-L181 HydrophobicContact CD1-CD1 3.9Å; L177-L181 HydrophobicContact CD1-CG 4.28Å; L177-L181 HydrophobicContact CG-CD1 4.09Å; L177-L181 WeakPolarHBondContact O-CB 3.15Å; L177-L181 WeakPolarHBondContact O-CG 3.18Å; L177-L181 PolarHBondContact O-N 3.5Å; E179-L181 VanDerWaalsContact C-N 3.34Å; E179-L181 PolarHBondContact O-N 2.95Å; L181-V183 VanDerWaalsContact C-N 3.35Å; L181-V183 HydrophobicContact CB-CG2 3.8Å; L181-V183 HydrophobicContact CD1-CG2 4.42Å
182	G	98.4	Very high	97.4	Very high	29 Å²	29	36.8 Å²	36.8	30%	0.299	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	36.6	-175	0	0	0	0	0	113.4	Y143 A178 E179	Y143-G182 CarbonylContact C-O 3.59Å; A178-G182 WeakPolarHBondContact O-CA 3.22Å; A178-G182 PolarHBondContact O-N 3.31Å; E179-G182 PolarHBondContact O-N 3.26Å
183	V	98.7	Very high	97.5	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	18%	0.181	C	C	.	.	S	Bend	trans	-133.9	171.7	-178.2	-57.3	0	0	0	0	111.2	I140 T146 L148 A178 L181 I185	I140-V183 HydrophobicContact CB-CG1 4.5Å; I140-V183 HydrophobicContact CD1-CG1 3.77Å; I140-V183 HydrophobicContact CD1-CG2 4.33Å; I140-V183 WeakPolarHBondContact O-CG1 3.29Å; T146-V183 HydrophobicContact CG2-CG1 4.35Å; L148-V183 HydrophobicContact CD1-CG2 3.91Å; L148-V183 HydrophobicContact CG-CG2 4.04Å; A178-V183 WeakPolarHBondContact CB-O 3.34Å; A178-V183 PolarHBondContact O-N 3.46Å; A178-V183 VanDerWaalsContact O-N 3.16Å; L181-V183 VanDerWaalsContact C-N 3.35Å; L181-V183 HydrophobicContact CB-CG2 3.8Å; L181-V183 HydrophobicContact CD1-CG2 4.42Å; V183-I185 HydrophobicContact CG2-CG1 4.15Å
184	T	98.8	Very high	97.5	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.7	170.2	-56.7	0	0	0	0	110.6	T146 I147 L148 I194 S195 T245 I246	T146-T184 PolarHBondContact O-N 3.42Å; I147-T184 CarbonylContact C-O 3.51Å; I147-T184 VanDerWaalsContact CA-O 3.32Å; I147-T184 WeakPolarHBondContact CA-O 3.41Å; I147-T184 HydrophobicContact CG2-CG2 4.36Å; L148-T184 PolarHBondContact N-O 3.02Å; T184-I194 HydrophobicContact CG2-CG2 4.1Å; T184-S195 CarbonylContact C-O 3.55Å; T184-S195 VanDerWaalsContact CA-O 3.31Å; T184-S195 WeakPolarHBondContact CA-O 3.32Å; T184-T245 WeakPolarHBondContact OG1-CB 3.42Å; T184-T245 PolarHBondContact OG1-OG1 3.08Å; T184-I246 HydrophobicContact CG2-CD1 4.16Å
185	I	98.8	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.9	177.8	-58.8	-177.3	0	0	0	109	L148 P150 F155 T174 L177 A178 V183 I194 S195	L148-I185 HydrophobicContact CB-CG1 4.46Å; L148-I185 HydrophobicContact CD1-CG1 4.43Å; P150-I185 HydrophobicContact CG-CG2 3.88Å; F155-I185 HydrophobicContact CD2-CG2 4.33Å; F155-I185 HydrophobicContact CE2-CG2 4.26Å; T174-I185 HydrophobicContact CG2-CB 4.08Å; T174-I185 HydrophobicContact CG2-CG2 3.91Å; L177-I185 HydrophobicContact CB-CD1 3.77Å; L177-I185 HydrophobicContact CD2-CD1 3.65Å; L177-I185 HydrophobicContact CG-CD1 3.46Å; L177-I185 VanDerWaalsContact CG-CD1 3.46Å; A178-I185 HydrophobicContact CB-CB 4.35Å; A178-I185 HydrophobicContact CB-CD1 3.97Å; A178-I185 HydrophobicContact CB-CG1 3.94Å; V183-I185 HydrophobicContact CG2-CG1 4.15Å; I185-I194 CarbonylContact O-C 3.03Å; I185-I194 VanDerWaalsContact O-CA 3.29Å; I185-I194 WeakPolarHBondContact O-CA 3.28Å; I185-S195 PolarHBondContact N-O 2.77Å; I185-S195 PolarHBondContact O-N 3.29Å
186	V	98.8	Very high	97.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	93.6	168.4	-177.9	0	0	0	0	107.4	I147 L148 T149 P150 K188 D192 I194 M223 A249 C253	I147-V186 HydrophobicContact CG2-CG2 3.65Å; L148-V186 PolarHBondContact O-N 3.35Å; T149-V186 CarbonylContact C-O 3.58Å; T149-V186 WeakPolarHBondContact CA-O 3.45Å; T149-V186 HydrophobicContact CG2-CB 4.17Å; T149-V186 HydrophobicContact CG2-CG2 4.46Å; P150-V186 VanDerWaalsContact CD-O 3.3Å; P150-V186 WeakPolarHBondContact CD-O 3.37Å; V186-K188 HydrophobicContact CG1-CG 4.4Å; V186-K188 PolarHBondContact O-N 2.86Å; V186-K188 VanDerWaalsContact O-N 3.16Å; V186-D192 HydrophobicContact CG1-CB 4.43Å; V186-I194 HydrophobicContact CG1-CG1 4.32Å; V186-I194 HydrophobicContact CG2-CG1 4.3Å; V186-I194 HydrophobicContact CG2-CG2 4.27Å; V186-M223 HydrophobicContact CG2-CE 4.01Å; V186-M223 HydrophobicContact CG2-SD 4.35Å; V186-A249 HydrophobicContact CG2-CB 3.45Å; V186-A249 VanDerWaalsContact CG2-CB 3.45Å; V186-C253 VanDerWaalsContact CG1-SG 3.59Å
187	H	98.2	Very high	97.5	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.056	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	102.6	172.9	-169.4	159.4	0	0	0	108.7	F155 T170 T174 D192 I193	F155-H187 AromaticContact CD1-CE1 3.31Å; F155-H187 WeakPolarHBondContact CD1-CE1 3.4Å; F155-H187 AromaticContact CD1-ND1 3.69Å; F155-H187 HydrophobicContact CD2-CB 4.26Å; F155-H187 AromaticContact CD2-CE1 3.82Å; F155-H187 AromaticContact CD2-CG 3.84Å; F155-H187 AromaticContact CD2-ND1 3.45Å; F155-H187 WeakPolarHBondContact CD2-ND1 3.49Å; F155-H187 AromaticContact CE1-CE1 3.8Å; F155-H187 AromaticContact CE1-ND1 3.87Å; F155-H187 AromaticContact CE2-ND1 3.63Å; F155-H187 AromaticContact CG-CE1 3.33Å; F155-H187 WeakPolarHBondContact CG-CE1 3.32Å; F155-H187 AromaticContact CG-ND1 3.49Å; F155-H187 WeakPolarHBondContact CG-ND1 3.46Å; F155-H187 AromaticContact CG-NE2 3.84Å; F155-H187 AromaticContact CZ-ND1 3.85Å; T170-H187 WeakPolarHBondContact CG2-CE1 3.47Å; T170-H187 VanDerWaalsContact CG2-ND1 3.3Å; T170-H187 WeakPolarHBondContact CG2-ND1 3.23Å; T174-H187 HydrophobicContact CG2-CB 4.04Å; T174-H187 PolarHBondContact OG1-ND1 3.29Å; H187-D192 WeakPolarHBondContact O-CA 3.41Å; H187-I193 HydrophobicContact CB-CB 4.31Å; H187-I193 PolarHBondContact N-O 3.39Å; H187-I193 PolarHBondContact O-N 3.08Å; H187-I193 VanDerWaalsContact O-N 3.07Å
188	K	96.5	Very high	97.4	Very high	39 Å²	39	34 Å²	34	17%	0.17	19%	0.186	C	C	.	.			trans	-70.3	130.1	-176.9	-57.8	-176.9	-59.9	-147.5	0	110.8	D126 T149 P150 V186 D192 L219	D126-K188 IonicContact OD1-NZ 3.82Å; D126-K188 PolarHBondContact OD1-NZ 3.43Å; T149-K188 WeakPolarHBondContact O-CD 3.41Å; T149-K188 WeakPolarHBondContact O-CE 3.25Å; T149-K188 PolarHBondContact O-NZ 2.99Å; P150-K188 PolarHBondContact O-N 3.12Å; V186-K188 HydrophobicContact CG1-CG 4.4Å; V186-K188 PolarHBondContact O-N 2.86Å; V186-K188 VanDerWaalsContact O-N 3.16Å; K188-D192 VanDerWaalsContact CA-OD1 3.32Å; K188-D192 WeakPolarHBondContact CA-OD1 3.47Å; K188-L219 HydrophobicContact CD-CD2 3.86Å; K188-L219 HydrophobicContact CG-CD2 4.31Å
189	G	92.9	Very high	97.3	Very high	23 Å²	23	37.1 Å²	37.1	24%	0.237	20%	0.204	C	C	.	.	S	Bend	trans	-161.6	-167	-177.5	0	0	0	0	0	113.7	T191 D192	G189-T191 PolarHBondContact O-N 3.43Å; G189-D192 PolarHBondContact N-OD1 3.45Å
190	P	91.3	Very high	97.3	Very high	109 Å²	109	33 Å²	33	71%	0.708	19%	0.188	S	C	*	.	S	Bend	trans	-56.4	-40.4	167.2	-23.6	34.5	0	0	0	111.4	R257	P190-R257 PolarHBondContact O-NH2 3.35Å
191	T	94.1	Very high	97.3	Very high	49 Å²	49	29.4 Å²	29.4	30%	0.301	18%	0.175	S	C	.	.	S	Bend	trans	-117	130.3	164.8	-64.3	0	0	0	0	106.8	G189 Q202 V204	G189-T191 PolarHBondContact O-N 3.43Å; T191-Q202 HydrophobicContact CG2-CB 3.75Å; T191-Q202 HydrophobicContact CG2-CG 4.25Å; T191-V204 HydrophobicContact CG2-CG1 3.6Å
192	D	97.1	Very high	97.2	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.053	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.5	176.6	-58.7	-37.1	0	0	0	109	V186 H187 K188 G189 Q202 C203 C253 R257	V186-D192 HydrophobicContact CG1-CB 4.43Å; H187-D192 WeakPolarHBondContact O-CA 3.41Å; K188-D192 VanDerWaalsContact CA-OD1 3.32Å; K188-D192 WeakPolarHBondContact CA-OD1 3.47Å; G189-D192 PolarHBondContact N-OD1 3.45Å; D192-Q202 CarbonylContact O-C 3.48Å; D192-Q202 VanDerWaalsContact O-CA 3.31Å; D192-Q202 WeakPolarHBondContact O-CA 3.43Å; D192-C203 HydrophobicContact CB-CB 4.24Å; D192-C203 PolarHBondContact N-O 2.93Å; D192-C203 PolarHBondContact O-N 3.37Å; D192-C253 PolarHBondContact OD2-SG 3.4Å; D192-R257 WeakPolarHBondContact OD2-CD 3.3Å; D192-R257 IonicContact OD2-NE 3.4Å
193	I	98.3	Very high	97.1	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.077	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.6	174.9	-62.5	161.6	0	0	0	107.5	T170 K171 T174 H187 T200 Q202	T170-I193 HydrophobicContact CG2-CD1 3.57Å; K171-I193 HydrophobicContact CB-CD1 4.38Å; K171-I193 HydrophobicContact CG-CG2 4.41Å; T174-I193 HydrophobicContact CG2-CG2 3.97Å; H187-I193 HydrophobicContact CB-CB 4.31Å; H187-I193 PolarHBondContact N-O 3.39Å; H187-I193 PolarHBondContact O-N 3.08Å; H187-I193 VanDerWaalsContact O-N 3.07Å; I193-T200 HydrophobicContact CG2-CG2 3.92Å; I193-Q202 HydrophobicContact CG1-CG 4.27Å
194	I	98.6	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.4	-175.9	-53	170.9	0	0	0	107.7	T184 I185 V186 T200 V201 C203 I246 A249 F250	T184-I194 HydrophobicContact CG2-CG2 4.1Å; I185-I194 CarbonylContact O-C 3.03Å; I185-I194 VanDerWaalsContact O-CA 3.29Å; I185-I194 WeakPolarHBondContact O-CA 3.28Å; V186-I194 HydrophobicContact CG1-CG1 4.32Å; V186-I194 HydrophobicContact CG2-CG1 4.3Å; V186-I194 HydrophobicContact CG2-CG2 4.27Å; I194-T200 CarbonylContact O-C 3.16Å; I194-T200 VanDerWaalsContact O-CA 3.28Å; I194-T200 WeakPolarHBondContact O-CA 3.3Å; I194-V201 HydrophobicContact CB-CG2 3.8Å; I194-V201 HydrophobicContact CD1-CG2 4.31Å; I194-V201 HydrophobicContact CG2-CG2 4.33Å; I194-V201 PolarHBondContact N-O 2.96Å; I194-V201 PolarHBondContact O-N 3.28Å; I194-C203 HydrophobicContact CD1-CB 4.5Å; I194-I246 HydrophobicContact CG2-CD1 3.82Å; I194-A249 HydrophobicContact CD1-CB 4.04Å; I194-A249 HydrophobicContact CG1-CB 4.43Å; I194-A249 HydrophobicContact CG2-CB 3.55Å; I194-F250 HydrophobicContact CD1-CB 3.99Å; I194-F250 HydrophobicContact CD1-CD2 4.18Å
195	S	98.6	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.3	178.1	-168.1	0	0	0	0	112.6	R175 A178 T184 I185 G197 T199 T200	R175-S195 WeakPolarHBondContact CA-OG 3.48Å; A178-S195 VanDerWaalsContact CB-O 3.32Å; A178-S195 WeakPolarHBondContact CB-O 3.39Å; T184-S195 CarbonylContact C-O 3.55Å; T184-S195 VanDerWaalsContact CA-O 3.31Å; T184-S195 WeakPolarHBondContact CA-O 3.32Å; I185-S195 PolarHBondContact N-O 2.77Å; I185-S195 PolarHBondContact O-N 3.29Å; S195-G197 PolarHBondContact OG-N 2.99Å; S195-G197 VanDerWaalsContact OG-N 3.1Å; S195-T199 VanDerWaalsContact CA-O 3.3Å; S195-T199 WeakPolarHBondContact CA-O 3.44Å; S195-T199 PolarHBondContact OG-O 3.14Å; S195-T200 WeakPolarHBondContact CB-OG1 3.41Å; S195-T200 PolarHBondContact OG-OG1 2.62Å
196	N	98.3	Very high	96.4	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	25%	0.253	C	S	.	.			trans	-110.7	18.2	166.7	70.6	-2.3	0	0	0	111.9	Q198 T199 T243 I246	N196-Q198 PolarHBondContact O-N 3.22Å; N196-Q198 PolarHBondContact OD1-N 3.15Å; N196-Q198 VanDerWaalsContact OD1-N 3.11Å; N196-T199 PolarHBondContact N-O 2.89Å; N196-T199 VanDerWaalsContact N-O 3.16Å; N196-T199 PolarHBondContact OD1-N 3.3Å; N196-T199 PolarHBondContact OD1-O 3.33Å; N196-T243 WeakPolarHBondContact ND2-CG2 3.34Å; N196-T243 PolarHBondContact ND2-OG1 3.37Å; N196-I246 HydrophobicContact CB-CD1 4.05Å; N196-I246 HydrophobicContact CB-CG1 4.24Å
197	G	97.6	Very high	96.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.01	26%	0.259	C	S	.	.	S	Bend	trans	86.3	-34.2	-176.1	0	0	0	0	0	114.6	R175 S195	R175-G197 VanDerWaalsContact CG-O 3.32Å; R175-G197 WeakPolarHBondContact CG-O 3.35Å; R175-G197 PolarHBondContact NE-O 3.26Å; R175-G197 WeakPolarHBondContact O-CA 3.38Å; S195-G197 PolarHBondContact OG-N 2.99Å; S195-G197 VanDerWaalsContact OG-N 3.1Å
198	Q	96.9	Very high	95.9	Very high	162 Å²	162	46.2 Å²	46.2	76%	0.757	26%	0.257	S	S	*	.	S	Bend	trans	-95.3	-46.4	178.9	-62.2	178.9	1.8	0	0	112	N196	N196-Q198 PolarHBondContact O-N 3.22Å; N196-Q198 PolarHBondContact OD1-N 3.15Å; N196-Q198 VanDerWaalsContact OD1-N 3.11Å
199	T	97.2	Very high	95.8	Very high	64 Å²	64	48.9 Å²	48.9	39%	0.393	28%	0.279	S	S	.	.			trans	-112.7	134.4	178.8	-61.1	0	0	0	0	109	S195 N196 V201	S195-T199 VanDerWaalsContact CA-O 3.3Å; S195-T199 WeakPolarHBondContact CA-O 3.44Å; S195-T199 PolarHBondContact OG-O 3.14Å; N196-T199 PolarHBondContact N-O 2.89Å; N196-T199 VanDerWaalsContact N-O 3.16Å; N196-T199 PolarHBondContact OD1-N 3.3Å; N196-T199 PolarHBondContact OD1-O 3.33Å; T199-V201 HydrophobicContact CG2-CG1 4.1Å
200	T	97.7	Very high	96	Very high	35 Å²	35	52.4 Å²	52.4	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123	173.8	-58.5	0	0	0	0	109.6	K171 I193 I194 S195	K171-T200 HydrophobicContact CG-CG2 3.9Å; I193-T200 HydrophobicContact CG2-CG2 3.92Å; I194-T200 CarbonylContact O-C 3.16Å; I194-T200 VanDerWaalsContact O-CA 3.28Å; I194-T200 WeakPolarHBondContact O-CA 3.3Å; S195-T200 WeakPolarHBondContact CB-OG1 3.41Å; S195-T200 PolarHBondContact OG-OG1 2.62Å
201	V	97.4	Very high	96	Very high	34 Å²	34	54 Å²	54	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	165.5	177.2	-59.1	0	0	0	0	110.4	I194 T199 I246 F250	I194-V201 HydrophobicContact CB-CG2 3.8Å; I194-V201 HydrophobicContact CD1-CG2 4.31Å; I194-V201 HydrophobicContact CG2-CG2 4.33Å; I194-V201 PolarHBondContact N-O 2.96Å; I194-V201 PolarHBondContact O-N 3.28Å; T199-V201 HydrophobicContact CG2-CG1 4.1Å; V201-I246 HydrophobicContact CG1-CG2 4.41Å; V201-I246 HydrophobicContact CG2-CG2 3.97Å; V201-F250 HydrophobicContact CB-CD2 4.48Å; V201-F250 HydrophobicContact CG2-CD2 3.88Å
202	Q	97.2	Very high	95.9	Very high	84 Å²	84	52.6 Å²	52.6	39%	0.393	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.8	178.9	-67.7	-178.4	-84.1	0	0	109.9	T191 D192 I193 V204 F250	T191-Q202 HydrophobicContact CG2-CB 3.75Å; T191-Q202 HydrophobicContact CG2-CG 4.25Å; D192-Q202 CarbonylContact O-C 3.48Å; D192-Q202 VanDerWaalsContact O-CA 3.31Å; D192-Q202 WeakPolarHBondContact O-CA 3.43Å; I193-Q202 HydrophobicContact CG1-CG 4.27Å; Q202-V204 HydrophobicContact CB-CG1 3.98Å; Q202-V204 PolarHBondContact O-N 2.79Å; Q202-F250 WeakPolarHBondContact O-CE2 3.31Å
203	C	96.7	Very high	95.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	100.5	169.1	-177.6	0	0	0	0	108.5	D192 I194 D205 F250 C253	D192-C203 HydrophobicContact CB-CB 4.24Å; D192-C203 PolarHBondContact N-O 2.93Å; D192-C203 PolarHBondContact O-N 3.37Å; I194-C203 HydrophobicContact CD1-CB 4.5Å; C203-D205 PolarHBondContact SG-OD2 2.85Å; C203-D205 VanDerWaalsContact SG-OD2 3.37Å; C203-F250 HydrophobicContact CB-CD2 4.35Å; C203-F250 HydrophobicContact CB-CE2 4.22Å; C203-C253 HydrophobicContact CB-CB 3.84Å
204	V	95.3	Very high	95.6	Very high	99 Å²	99	55.3 Å²	55.3	60%	0.6	30%	0.303	S	S	*	.			trans	-102.1	10.4	-173.7	-62.9	0	0	0	0	113.3	T191 Q202	T191-V204 HydrophobicContact CG2-CG1 3.6Å; Q202-V204 HydrophobicContact CB-CG1 3.98Å; Q202-V204 PolarHBondContact O-N 2.79Å
205	D	92.5	Very high	95.5	Very high	62 Å²	62	56.3 Å²	56.3	33%	0.332	31%	0.307	S	S	.	.			trans	-52	175.3	179.9	-68	-42.1	0	0	0	110.6	C203 S254 R257	C203-D205 PolarHBondContact SG-OD2 2.85Å; C203-D205 VanDerWaalsContact SG-OD2 3.37Å; D205-S254 WeakPolarHBondContact OD2-CA 3.15Å; D205-S254 VanDerWaalsContact OD2-CB 3.25Å; D205-S254 WeakPolarHBondContact OD2-CB 3.29Å; D205-S254 PolarHBondContact OD2-OG 2.94Å; D205-R257 PolarHBondContact O-NH1 3.39Å; D205-R257 PolarHBondContact O-NH2 2.91Å
206	Q	92.3	Very high	95.5	Very high	144 Å²	144	57.6 Å²	57.6	67%	0.673	32%	0.32	S	S	*	.			trans	-98.6	121	168	-166.1	173.2	-6.4	0	0	110.3
207	G	93.6	Very high	95.5	Very high	11 Å²	11	57.2 Å²	57.2	11%	0.113	32%	0.318	C	S	.	.			trans	-88.8	-157.9	169.4	0	0	0	0	0	111.8	R257	G207-R257 VanDerWaalsContact N-NH1 3.19Å
208	S	94.3	Very high	95.5	Very high	4 Å²	4	57.2 Å²	57.2	3%	0.028	32%	0.318	C	S	.	.			trans	-95.5	152.8	168.3	74.5	0	0	0	0	113	R210 R211 S260 Y264 M271	S208-R210 PolarHBondContact O-N 2.79Å; S208-R210 PolarHBondContact OG-N 3.16Å; S208-R210 PolarHBondContact OG-O 3.23Å; S208-R211 PolarHBondContact O-NH1 3.1Å; S208-S260 WeakPolarHBondContact CB-O 3.44Å; S208-S260 PolarHBondContact N-OG 3.14Å; S208-Y264 VanDerWaalsContact CB-CB 3.45Å; S208-M271 WeakPolarHBondContact OG-CE 3.29Å
209	P	94.7	Very high	95.6	Very high	95 Å²	95	50 Å²	50	62%	0.617	28%	0.284	S	S	*	.	S	Bend	trans	-74.3	-9.8	170.3	32.4	-36.2	0	0	0	112.8	Y264	P209-Y264 HydrophobicContact CG-CD1 4.24Å; P209-Y264 HydrophobicContact CG-CD2 4.4Å; P209-Y264 HydrophobicContact CG-CE1 3.62Å; P209-Y264 HydrophobicContact CG-CE2 3.8Å; P209-Y264 WeakPolarHBondContact CG-OH 3.3Å
210	R	95.5	Very high	95.7	Very high	97 Å²	97	46.9 Å²	46.9	37%	0.366	27%	0.266	S	S	.	.			trans	-91.1	118.3	-177.7	175	63.4	-179.1	128.8	-3.1	111	S208 Q215 Y264 M271	S208-R210 PolarHBondContact O-N 2.79Å; S208-R210 PolarHBondContact OG-N 3.16Å; S208-R210 PolarHBondContact OG-O 3.23Å; R210-Q215 PolarHBondContact O-NE2 3.21Å; R210-Q215 PolarHBondContact O-OE1 2.98Å; R210-Y264 HydrophobicContact CB-CD2 3.76Å; R210-Y264 HydrophobicContact CB-CE2 3.84Å; R210-M271 HydrophobicContact CB-CE 3.99Å; R210-M271 HydrophobicContact CG-CB 4.34Å; R210-M271 HydrophobicContact CG-CE 4.02Å
211	R	91.4	Very high	95.7	Very high	143 Å²	143	45.2 Å²	45.2	54%	0.54	26%	0.255	S	S	.	.			trans	-104.1	91	175.6	-54.1	-57.1	-176.7	-162.1	1.6	110.9	S208	S208-R211 PolarHBondContact O-NH1 3.1Å
212	C	92.4	Very high	95.8	Very high	18 Å²	18	43.6 Å²	43.6	12%	0.122	25%	0.246	C	C	.	.			trans	-100.6	155	170.5	53.3	0	0	0	0	110.6	Q215	C212-Q215 WeakPolarHBondContact O-CG 3.32Å; C212-Q215 PolarHBondContact SG-NE2 3.34Å; C212-Q215 VanDerWaalsContact SG-NE2 3.35Å
213	G	93.8	Very high	95.9	Very high	72 Å²	72	39.6 Å²	39.6	74%	0.742	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	142.5	179.2	0	0	0	0	0	111.6	T273	G213-T273 PolarHBondContact O-OG1 2.83Å
214	G	95.9	Very high	96	Very high	11 Å²	11	39.6 Å²	39.6	11%	0.113	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.4	-16.9	-178.3	0	0	0	0	0	115.3	G216 D217 I218 T273	G214-G216 VanDerWaalsContact C-N 3.35Å; G214-G216 PolarHBondContact O-N 3.35Å; G214-D217 VanDerWaalsContact CA-OD2 3.3Å; G214-D217 WeakPolarHBondContact CA-OD2 3.23Å; G214-D217 WeakPolarHBondContact O-CB 3.31Å; G214-D217 PolarHBondContact O-N 2.98Å; G214-D217 VanDerWaalsContact O-N 3.16Å; G214-I218 PolarHBondContact O-N 3.44Å; G214-T273 VanDerWaalsContact C-CG2 3.44Å; G214-T273 WeakPolarHBondContact O-CG2 3.41Å
215	Q	97.2	Very high	96.2	Very high	21 Å²	21	34.9 Å²	34.9	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-37.8	-179.3	-65.6	-176.2	-11.9	0	0	112.8	R210 C212 D217 I218 L219 M271 M276	R210-Q215 PolarHBondContact O-NE2 3.21Å; R210-Q215 PolarHBondContact O-OE1 2.98Å; C212-Q215 WeakPolarHBondContact O-CG 3.32Å; C212-Q215 PolarHBondContact SG-NE2 3.34Å; C212-Q215 VanDerWaalsContact SG-NE2 3.35Å; Q215-D217 VanDerWaalsContact C-N 3.27Å; Q215-D217 PolarHBondContact O-N 2.95Å; Q215-I218 PolarHBondContact O-N 3.42Å; Q215-L219 PolarHBondContact O-N 3.2Å; Q215-M271 VanDerWaalsContact NE2-CE 3.27Å; Q215-M276 HydrophobicContact CG-CE 4.19Å; Q215-M276 HydrophobicContact CG-SD 3.64Å
216	G	97.3	Very high	96.5	Very high	26 Å²	26	32 Å²	32	27%	0.268	18%	0.183	S	C	.	.	H	α-helix	trans	-64.9	-33	174.3	0	0	0	0	0	112.4	G214 L219 S220	G214-G216 VanDerWaalsContact C-N 3.35Å; G214-G216 PolarHBondContact O-N 3.35Å; G216-L219 WeakPolarHBondContact O-CB 3.45Å; G216-L219 PolarHBondContact O-N 3.47Å; G216-S220 PolarHBondContact O-N 3.42Å
217	D	98.6	Very high	96.7	Very high	19 Å²	19	25.1 Å²	25.1	10%	0.102	15%	0.151	C	C	.	.	H	α-helix	trans	-68.2	-38.2	177	-56.6	-60	0	0	0	111.1	A36 F39 S40 P98 G214 Q215 L219 S220 G221	A36-D217 WeakPolarHBondContact CA-OD2 3.25Å; A36-D217 WeakPolarHBondContact O-CB 3.48Å; F39-D217 HydrophobicContact CB-CB 3.65Å; S40-D217 WeakPolarHBondContact CA-O 3.41Å; S40-D217 WeakPolarHBondContact CB-O 3.43Å; P98-D217 WeakPolarHBondContact CB-OD1 3.24Å; G214-D217 VanDerWaalsContact CA-OD2 3.3Å; G214-D217 WeakPolarHBondContact CA-OD2 3.23Å; G214-D217 WeakPolarHBondContact O-CB 3.31Å; G214-D217 PolarHBondContact O-N 2.98Å; G214-D217 VanDerWaalsContact O-N 3.16Å; Q215-D217 VanDerWaalsContact C-N 3.27Å; Q215-D217 PolarHBondContact O-N 2.95Å; D217-L219 VanDerWaalsContact C-N 3.29Å; D217-L219 PolarHBondContact O-N 3.14Å; D217-S220 PolarHBondContact O-N 3.41Å; D217-S220 PolarHBondContact O-OG 3.16Å; D217-S220 VanDerWaalsContact O-OG 3.04Å; D217-G221 PolarHBondContact O-N 3.23Å
218	I	98.6	Very high	97	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-42.6	171.1	-67.3	178.8	0	0	0	111.1	S43 G214 Q215 T222 T256 T273 M276 L277 L280	S43-I218 WeakPolarHBondContact OG-CA 3.42Å; S43-I218 PolarHBondContact OG-O 2.72Å; G214-I218 PolarHBondContact O-N 3.44Å; Q215-I218 PolarHBondContact O-N 3.42Å; I218-T222 HydrophobicContact CG2-CG2 4.39Å; I218-T222 WeakPolarHBondContact O-CG2 3.37Å; I218-T222 PolarHBondContact O-N 2.95Å; I218-T222 PolarHBondContact O-OG1 3.01Å; I218-T256 HydrophobicContact CG2-CG2 4.21Å; I218-T273 HydrophobicContact CD1-CG2 3.55Å; I218-T273 HydrophobicContact CG1-CG2 4.09Å; I218-M276 HydrophobicContact CD1-CB 3.78Å; I218-M276 HydrophobicContact CD1-CE 4.06Å; I218-L277 HydrophobicContact CD1-CD2 3.87Å; I218-L277 HydrophobicContact CG1-CD2 4.09Å; I218-L280 HydrophobicContact CG2-CD1 4.32Å; I218-L280 HydrophobicContact CG2-CD2 3.96Å
219	L	98.7	Very high	97.1	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.052	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-50.2	176.6	174.9	63.8	0	0	0	111.2	K188 Q215 G216 D217 G221 T222 M223 A252 T256	K188-L219 HydrophobicContact CD-CD2 3.86Å; K188-L219 HydrophobicContact CG-CD2 4.31Å; Q215-L219 PolarHBondContact O-N 3.2Å; G216-L219 WeakPolarHBondContact O-CB 3.45Å; G216-L219 PolarHBondContact O-N 3.47Å; D217-L219 VanDerWaalsContact C-N 3.29Å; D217-L219 PolarHBondContact O-N 3.14Å; L219-G221 VanDerWaalsContact C-N 3.33Å; L219-G221 PolarHBondContact O-N 2.95Å; L219-T222 PolarHBondContact O-OG1 3.11Å; L219-T222 VanDerWaalsContact O-OG1 3.09Å; L219-M223 HydrophobicContact CD1-CE 3.57Å; L219-M223 HydrophobicContact CD2-CE 4.28Å; L219-M223 HydrophobicContact CG-CE 3.79Å; L219-M223 WeakPolarHBondContact O-CB 3.38Å; L219-M223 PolarHBondContact O-N 3.47Å; L219-A252 VanDerWaalsContact CD1-C 3.4Å; L219-A252 HydrophobicContact CD1-CB 3.75Å; L219-A252 WeakPolarHBondContact CD1-O 3.44Å; L219-T256 WeakPolarHBondContact CA-OG1 3.13Å; L219-T256 HydrophobicContact CB-CG2 4.17Å
220	S	98.7	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.2	-33.6	-176.8	66.2	0	0	0	0	112.9	S40 T95 D126 G216 D217 S224	S40-S220 PolarHBondContact OG-OG 2.79Å; S40-S220 VanDerWaalsContact OG-OG 3.1Å; T95-S220 PolarHBondContact OG1-O 3.25Å; T95-S220 VanDerWaalsContact OG1-O 3.08Å; D126-S220 PolarHBondContact OD2-OG 2.79Å; G216-S220 PolarHBondContact O-N 3.42Å; D217-S220 PolarHBondContact O-N 3.41Å; D217-S220 PolarHBondContact O-OG 3.16Å; D217-S220 VanDerWaalsContact O-OG 3.04Å; S220-S224 PolarHBondContact O-N 3.42Å
221	G	98.8	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-56.2	174.2	0	0	0	0	0	112.9	S40 D217 L219 M223 S224	S40-G221 WeakPolarHBondContact O-CA 3.34Å; S40-G221 WeakPolarHBondContact OG-CA 3.5Å; S40-G221 PolarHBondContact OG-N 2.87Å; D217-G221 PolarHBondContact O-N 3.23Å; L219-G221 VanDerWaalsContact C-N 3.33Å; L219-G221 PolarHBondContact O-N 2.95Å; G221-M223 VanDerWaalsContact C-N 3.3Å; G221-M223 PolarHBondContact O-N 3.27Å; G221-S224 WeakPolarHBondContact O-CB 3.26Å; G221-S224 PolarHBondContact O-N 3.02Å
222	T	98.8	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-37.2	178.6	55.9	0	0	0	0	112.2	C47 I218 L219 S224 V225 F226 L255 L280	C47-T222 HydrophobicContact CB-CG2 4.05Å; I218-T222 HydrophobicContact CG2-CG2 4.39Å; I218-T222 WeakPolarHBondContact O-CG2 3.37Å; I218-T222 PolarHBondContact O-N 2.95Å; I218-T222 PolarHBondContact O-OG1 3.01Å; L219-T222 PolarHBondContact O-OG1 3.11Å; L219-T222 VanDerWaalsContact O-OG1 3.09Å; T222-S224 VanDerWaalsContact C-N 3.33Å; T222-S224 PolarHBondContact O-N 3.42Å; T222-V225 WeakPolarHBondContact O-CB 3.4Å; T222-V225 PolarHBondContact O-N 3.48Å; T222-F226 VanDerWaalsContact O-CD2 3.22Å; T222-F226 WeakPolarHBondContact O-CD2 3.47Å; T222-F226 PolarHBondContact O-N 2.91Å; T222-F226 VanDerWaalsContact O-N 3.17Å; T222-L255 HydrophobicContact CG2-CD2 3.9Å; T222-L280 HydrophobicContact CG2-CD2 4Å
223	M	98.9	Very high	97.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-37.5	177.5	-169.2	175.3	-62.9	0	0	113	V124 I147 T149 V186 L219 G221 V225 F226 N227 A249 A252	V124-M223 HydrophobicContact CG1-SD 4.17Å; V124-M223 HydrophobicContact CG2-CB 4.33Å; V124-M223 HydrophobicContact CG2-CG 4.05Å; V124-M223 HydrophobicContact CG2-SD 4.42Å; I147-M223 HydrophobicContact CB-SD 4.07Å; I147-M223 HydrophobicContact CD1-CG 3.93Å; I147-M223 HydrophobicContact CD1-SD 4.03Å; I147-M223 HydrophobicContact CG2-SD 3.45Å; I147-M223 WeakPolarHBondContact CG2-SD 3.34Å; T149-M223 HydrophobicContact CG2-CE 3.77Å; T149-M223 HydrophobicContact CG2-SD 3.62Å; V186-M223 HydrophobicContact CG2-CE 4.01Å; V186-M223 HydrophobicContact CG2-SD 4.35Å; L219-M223 HydrophobicContact CD1-CE 3.57Å; L219-M223 HydrophobicContact CD2-CE 4.28Å; L219-M223 HydrophobicContact CG-CE 3.79Å; L219-M223 WeakPolarHBondContact O-CB 3.38Å; L219-M223 PolarHBondContact O-N 3.47Å; G221-M223 VanDerWaalsContact C-N 3.3Å; G221-M223 PolarHBondContact O-N 3.27Å; M223-V225 VanDerWaalsContact C-N 3.28Å; M223-V225 PolarHBondContact O-N 2.95Å; M223-F226 PolarHBondContact O-N 3.07Å; M223-N227 WeakPolarHBondContact O-CB 3.19Å; M223-N227 PolarHBondContact O-N 2.97Å; M223-A249 HydrophobicContact CE-CB 4.48Å; M223-A252 HydrophobicContact CB-CB 3.55Å; M223-A252 HydrophobicContact CE-CB 3.96Å; M223-A252 HydrophobicContact CG-CB 4.01Å
224	S	98.9	Very high	97	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-38.4	176.2	-150.3	0	0	0	0	112.1	T95 S220 G221 T222 N227 Y228	T95-S224 WeakPolarHBondContact OG1-CB 3.23Å; T95-S224 PolarHBondContact OG1-OG 3.34Å; S220-S224 PolarHBondContact O-N 3.42Å; G221-S224 WeakPolarHBondContact O-CB 3.26Å; G221-S224 PolarHBondContact O-N 3.02Å; T222-S224 VanDerWaalsContact C-N 3.33Å; T222-S224 PolarHBondContact O-N 3.42Å; S224-N227 PolarHBondContact O-N 3.24Å; S224-Y228 PolarHBondContact O-N 3.35Å
225	V	98.8	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.2	-53	176.1	-178.1	0	0	0	0	110.8	I24 A44 C47 A49 T222 M223 N227 Y228 W229	I24-V225 HydrophobicContact CG1-CG2 4.11Å; A44-V225 HydrophobicContact CB-CG2 3.7Å; C47-V225 HydrophobicContact CB-CB 4.25Å; C47-V225 HydrophobicContact CB-CG1 4.27Å; C47-V225 HydrophobicContact CB-CG2 4.03Å; A49-V225 HydrophobicContact CB-CG2 4.03Å; T222-V225 WeakPolarHBondContact O-CB 3.4Å; T222-V225 PolarHBondContact O-N 3.48Å; M223-V225 VanDerWaalsContact C-N 3.28Å; M223-V225 PolarHBondContact O-N 2.95Å; V225-N227 VanDerWaalsContact C-N 3.29Å; V225-N227 PolarHBondContact O-N 3.26Å; V225-Y228 WeakPolarHBondContact O-CB 3.49Å; V225-Y228 PolarHBondContact O-N 3.03Å; V225-W229 HydrophobicContact CG1-CD2 3.82Å; V225-W229 HydrophobicContact CG1-CE3 4.11Å; V225-W229 HydrophobicContact CG1-CH2 3.65Å; V225-W229 HydrophobicContact CG1-CZ2 3.3Å; V225-W229 HydrophobicContact CG1-CZ3 4.03Å; V225-W229 PolarHBondContact O-N 3.39Å
226	F	98.6	Very high	95.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-36.6	178.1	-69	-65.4	0	0	0	112.4	I9 T222 M223 Y228 W229 F230 A248 A251 A252 L255 F284 F288	I9-F226 HydrophobicContact CD1-CE1 3.94Å; I9-F226 HydrophobicContact CG1-CE1 4.14Å; T222-F226 VanDerWaalsContact O-CD2 3.22Å; T222-F226 WeakPolarHBondContact O-CD2 3.47Å; T222-F226 PolarHBondContact O-N 2.91Å; T222-F226 VanDerWaalsContact O-N 3.17Å; M223-F226 PolarHBondContact O-N 3.07Å; F226-Y228 VanDerWaalsContact C-N 3.32Å; F226-Y228 PolarHBondContact O-N 2.84Å; F226-W229 AromaticContact CD1-CE3 3.72Å; F226-W229 HydrophobicContact CD1-CE3 3.72Å; F226-W229 AromaticContact CD1-CZ3 3.97Å; F226-W229 HydrophobicContact CD1-CZ3 3.97Å; F226-W229 AromaticContact CE1-CE3 4Å; F226-W229 HydrophobicContact CE1-CE3 4Å; F226-W229 AromaticContact CE1-CZ3 3.77Å; F226-W229 HydrophobicContact CE1-CZ3 3.77Å; F226-W229 PolarHBondContact O-N 3.48Å; F226-F230 HydrophobicContact CB-CD2 4.47Å; F226-F230 HydrophobicContact CB-CE2 4.12Å; F226-F230 HydrophobicContact CB-CZ 4.49Å; F226-F230 HydrophobicContact CD1-CE1 4.46Å; F226-F230 HydrophobicContact CD1-CE2 4.22Å; F226-F230 AromaticContact CD1-CZ 3.82Å; F226-F230 HydrophobicContact CD1-CZ 3.82Å; F226-F230 WeakPolarHBondContact O-CG 3.3Å; F226-F230 PolarHBondContact O-N 3.16Å; F226-A248 HydrophobicContact CB-CB 3.73Å; F226-A251 HydrophobicContact CB-CB 4.5Å; F226-A251 HydrophobicContact CD1-CB 3.84Å; F226-A251 HydrophobicContact CD2-CB 3.83Å; F226-A251 HydrophobicContact CE1-CB 3.92Å; F226-A251 HydrophobicContact CE2-CB 3.91Å; F226-A251 HydrophobicContact CG-CB 3.81Å; F226-A251 HydrophobicContact CZ-CB 3.96Å; F226-A252 HydrophobicContact CD2-CB 4Å; F226-A252 HydrophobicContact CE2-CB 4.43Å; F226-L255 HydrophobicContact CE2-CD2 3.86Å; F226-L255 HydrophobicContact CZ-CD2 4.07Å; F226-F284 HydrophobicContact CE1-CE2 4.21Å; F226-F284 HydrophobicContact CZ-CD2 4.46Å; F226-F284 AromaticContact CZ-CE2 3.99Å; F226-F284 HydrophobicContact CZ-CE2 3.99Å; F226-F288 HydrophobicContact CE1-CE2 4.26Å; F226-F288 HydrophobicContact CZ-CD2 4.36Å; F226-F288 AromaticContact CZ-CE2 3.63Å; F226-F288 HydrophobicContact CZ-CE2 3.63Å; F226-F288 HydrophobicContact CZ-CZ 4.06Å
227	N	98.4	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-40.7	178.7	-159.3	22	0	0	0	110.5	P122 K145 I147 M223 S224 V225 H231 A248	P122-N227 HydrophobicContact CB-CB 4.28Å; P122-N227 VanDerWaalsContact CB-ND2 3.31Å; P122-N227 WeakPolarHBondContact CB-ND2 3.45Å; K145-N227 PolarHBondContact O-ND2 3.18Å; I147-N227 HydrophobicContact CD1-CB 4.19Å; M223-N227 WeakPolarHBondContact O-CB 3.19Å; M223-N227 PolarHBondContact O-N 2.97Å; S224-N227 PolarHBondContact O-N 3.24Å; V225-N227 VanDerWaalsContact C-N 3.29Å; V225-N227 PolarHBondContact O-N 3.26Å; N227-H231 WeakPolarHBondContact O-CB 3.48Å; N227-H231 PolarHBondContact O-CD2 3.39Å; N227-H231 VanDerWaalsContact O-CD2 3.23Å; N227-H231 PolarHBondContact O-N 3.23Å; N227-H231 PolarHBondContact OD1-CD2 3.32Å; N227-H231 VanDerWaalsContact OD1-CD2 3.29Å; N227-A248 HydrophobicContact CB-CB 3.97Å
228	Y	98.3	Very high	94	Very high	13 Å²	13	31.8 Å²	31.8	5%	0.051	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-55.6	169.6	168.8	-121.9	0	0	0	111.8	Q20 H92 S224 V225 F226 F230 H231 Q232	Q20-Y228 PolarHBondContact O-OH 3.31Å; H92-Y228 HydrophobicContact CB-CD2 3.32Å; H92-Y228 HydrophobicContact CB-CE2 3.32Å; H92-Y228 HydrophobicContact CB-CG 3.94Å; H92-Y228 AromaticContact CE1-CZ 3.95Å; H92-Y228 PolarHBondContact CE1-OH 3.44Å; H92-Y228 AromaticContact CG-CE2 3.47Å; H92-Y228 VanDerWaalsContact CG-CE2 3.47Å; H92-Y228 AromaticContact CG-CZ 3.74Å; H92-Y228 AromaticContact ND1-CE1 3.89Å; H92-Y228 AromaticContact ND1-CE2 3.63Å; H92-Y228 AromaticContact ND1-CZ 3.36Å; H92-Y228 PolarHBondContact ND1-OH 3.2Å; S224-Y228 PolarHBondContact O-N 3.35Å; V225-Y228 WeakPolarHBondContact O-CB 3.49Å; V225-Y228 PolarHBondContact O-N 3.03Å; F226-Y228 VanDerWaalsContact C-N 3.32Å; F226-Y228 PolarHBondContact O-N 2.84Å; Y228-F230 PolarHBondContact O-N 2.68Å; Y228-H231 PolarHBondContact O-N 3.05Å; Y228-Q232 HydrophobicContact CD2-CG 3.74Å; Y228-Q232 HydrophobicContact CE1-CG 4.34Å; Y228-Q232 VanDerWaalsContact CE2-CD 3.48Å; Y228-Q232 HydrophobicContact CE2-CG 3.22Å; Y228-Q232 HydrophobicContact CG-CG 4.5Å; Y228-Q232 WeakPolarHBondContact O-CG 3.5Å; Y228-Q232 PolarHBondContact O-N 3.2Å
229	W	97.6	Very high	93	Very high	11 Å²	11	39.8 Å²	39.8	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-48.3	-175.2	-67.6	-16.8	0	0	0	112.4	I9 P10 M21 C47 V225 F226 H231 Q232 L233 F284	I9-W229 HydrophobicContact CG2-CZ3 4.24Å; P10-W229 HydrophobicContact CG-CB 4.03Å; P10-W229 HydrophobicContact CG-CD2 3.48Å; P10-W229 VanDerWaalsContact CG-CD2 3.48Å; P10-W229 HydrophobicContact CG-CE3 3.94Å; P10-W229 HydrophobicContact CG-CG 3.53Å; P10-W229 HydrophobicContact CG-CZ2 4.42Å; M21-W229 HydrophobicContact CE-CH2 4.43Å; M21-W229 HydrophobicContact CE-CZ2 3.67Å; M21-W229 PolarHBondContact O-NE1 3Å; C47-W229 WeakPolarHBondContact O-CH2 3.47Å; V225-W229 HydrophobicContact CG1-CD2 3.82Å; V225-W229 HydrophobicContact CG1-CE3 4.11Å; V225-W229 HydrophobicContact CG1-CH2 3.65Å; V225-W229 HydrophobicContact CG1-CZ2 3.3Å; V225-W229 HydrophobicContact CG1-CZ3 4.03Å; V225-W229 PolarHBondContact O-N 3.39Å; F226-W229 AromaticContact CD1-CE3 3.72Å; F226-W229 HydrophobicContact CD1-CE3 3.72Å; F226-W229 AromaticContact CD1-CZ3 3.97Å; F226-W229 HydrophobicContact CD1-CZ3 3.97Å; F226-W229 AromaticContact CE1-CE3 4Å; F226-W229 HydrophobicContact CE1-CE3 4Å; F226-W229 AromaticContact CE1-CZ3 3.77Å; F226-W229 HydrophobicContact CE1-CZ3 3.77Å; F226-W229 PolarHBondContact O-N 3.48Å; W229-H231 PolarHBondContact O-N 2.94Å; W229-Q232 WeakPolarHBondContact O-CB 3.18Å; W229-Q232 PolarHBondContact O-N 3.48Å; W229-L233 WeakPolarHBondContact O-CG 3.36Å; W229-L233 PolarHBondContact O-N 3.27Å; W229-L233 VanDerWaalsContact O-N 3.12Å; W229-F284 HydrophobicContact CH2-CE2 4.44Å; W229-F284 HydrophobicContact CH2-CZ 4.49Å; W229-F284 HydrophobicContact CZ3-CE2 4.2Å; W229-F284 HydrophobicContact CZ3-CZ 4.27Å
230	F	97.2	Very high	92.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-75.6	-26.4	-175.7	-58.6	-20.5	0	0	0	113	I5 S8 I9 F226 Y228 L233 K234 L240 F242 A244 A248 A251	I5-F230 HydrophobicContact CG2-CZ 4.04Å; S8-F230 WeakPolarHBondContact O-CE1 3.4Å; I9-F230 HydrophobicContact CG1-CE1 4.28Å; I9-F230 HydrophobicContact CG1-CZ 4.33Å; F226-F230 HydrophobicContact CB-CD2 4.47Å; F226-F230 HydrophobicContact CB-CE2 4.12Å; F226-F230 HydrophobicContact CB-CZ 4.49Å; F226-F230 HydrophobicContact CD1-CE1 4.46Å; F226-F230 HydrophobicContact CD1-CE2 4.22Å; F226-F230 AromaticContact CD1-CZ 3.82Å; F226-F230 HydrophobicContact CD1-CZ 3.82Å; F226-F230 WeakPolarHBondContact O-CG 3.3Å; F226-F230 PolarHBondContact O-N 3.16Å; Y228-F230 PolarHBondContact O-N 2.68Å; F230-L233 HydrophobicContact CD1-CD1 4.1Å; F230-L233 PolarHBondContact O-N 3.1Å; F230-K234 WeakPolarHBondContact O-CB 3.38Å; F230-K234 PolarHBondContact O-N 2.67Å; F230-L240 HydrophobicContact CB-CD1 4.44Å; F230-F242 AromaticContact CD2-CE2 3.99Å; F230-F242 HydrophobicContact CD2-CE2 3.99Å; F230-F242 HydrophobicContact CE2-CE2 4.33Å; F230-F242 HydrophobicContact CG-CE2 4.28Å; F230-A244 HydrophobicContact CB-CB 3.88Å; F230-A248 HydrophobicContact CD2-CB 3.96Å; F230-A248 VanDerWaalsContact CD2-N 3.3Å; F230-A248 HydrophobicContact CE2-CB 4.43Å; F230-A251 HydrophobicContact CE2-CB 4.21Å; F230-A251 HydrophobicContact CZ-CB 4.44Å
231	H	96.4	Very high	91.6	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-37.9	167.5	-89.3	-83.3	0	0	0	112.2	P122 K145 N227 Y228 W229 L233 K234 D235	P122-H231 HydrophobicContact CG-CB 3.92Å; K145-H231 WeakPolarHBondContact CG-CE1 3.42Å; N227-H231 WeakPolarHBondContact O-CB 3.48Å; N227-H231 PolarHBondContact O-CD2 3.39Å; N227-H231 VanDerWaalsContact O-CD2 3.23Å; N227-H231 PolarHBondContact O-N 3.23Å; N227-H231 PolarHBondContact OD1-CD2 3.32Å; N227-H231 VanDerWaalsContact OD1-CD2 3.29Å; Y228-H231 PolarHBondContact O-N 3.05Å; W229-H231 PolarHBondContact O-N 2.94Å; H231-L233 VanDerWaalsContact C-N 3.32Å; H231-L233 PolarHBondContact O-N 3.14Å; H231-K234 PolarHBondContact O-N 3.07Å; H231-D235 WeakPolarHBondContact O-CB 3.49Å; H231-D235 PolarHBondContact O-N 3.32Å
232	Q	94.1	Very high	91.3	Very high	75 Å²	75	48.9 Å²	48.9	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-40.8	173.5	-70.7	-68	-61.9	0	0	112.2	Y228 W229 D235 N236	Y228-Q232 HydrophobicContact CD2-CG 3.74Å; Y228-Q232 HydrophobicContact CE1-CG 4.34Å; Y228-Q232 VanDerWaalsContact CE2-CD 3.48Å; Y228-Q232 HydrophobicContact CE2-CG 3.22Å; Y228-Q232 HydrophobicContact CG-CG 4.5Å; Y228-Q232 WeakPolarHBondContact O-CG 3.5Å; Y228-Q232 PolarHBondContact O-N 3.2Å; W229-Q232 WeakPolarHBondContact O-CB 3.18Å; W229-Q232 PolarHBondContact O-N 3.48Å; Q232-D235 PolarHBondContact O-N 2.61Å; Q232-N236 WeakPolarHBondContact O-CB 3.33Å; Q232-N236 VanDerWaalsContact O-CG 3.3Å; Q232-N236 PolarHBondContact O-N 3.29Å; Q232-N236 PolarHBondContact O-ND2 3.41Å; Q232-N236 VanDerWaalsContact O-ND2 3.1Å
233	L	91.1	Very high	91.1	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.11	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-41.1	178.2	-58.7	171.9	0	0	0	112.1	S8 W229 F230 H231 D235 N236 N237 Q238 L240	S8-L233 WeakPolarHBondContact O-CD1 3.49Å; W229-L233 WeakPolarHBondContact O-CG 3.36Å; W229-L233 PolarHBondContact O-N 3.27Å; W229-L233 VanDerWaalsContact O-N 3.12Å; F230-L233 HydrophobicContact CD1-CD1 4.1Å; F230-L233 PolarHBondContact O-N 3.1Å; H231-L233 VanDerWaalsContact C-N 3.32Å; H231-L233 PolarHBondContact O-N 3.14Å; L233-D235 VanDerWaalsContact C-N 3.35Å; L233-N236 CarbonylContact O-C 3.56Å; L233-N236 PolarHBondContact O-N 3.17Å; L233-N237 PolarHBondContact O-N 2.93Å; L233-Q238 HydrophobicContact CB-CB 4.3Å; L233-Q238 VanDerWaalsContact CD2-OE1 3.28Å; L233-Q238 WeakPolarHBondContact O-CB 3.21Å; L233-Q238 PolarHBondContact O-N 3.28Å; L233-L240 HydrophobicContact CB-CD2 4.41Å; L233-L240 HydrophobicContact CD1-CD2 4.45Å
234	K	86.7	Confident	91	Very high	95 Å²	95	51.7 Å²	51.7	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-57.9	-47.5	172.6	-178.6	-174.8	175.7	-176.2	0	111	D144 F230 H231 N236 N237 L240	D144-K234 IonicContact OD2-NZ 3.65Å; F230-K234 WeakPolarHBondContact O-CB 3.38Å; F230-K234 PolarHBondContact O-N 2.67Å; H231-K234 PolarHBondContact O-N 3.07Å; K234-N236 PolarHBondContact O-N 3.19Å; K234-N237 PolarHBondContact O-N 3.46Å; K234-L240 HydrophobicContact CB-CD1 4.44Å
235	D	85.5	Confident	90.9	Very high	86 Å²	86	52 Å²	52	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-26	-178.9	-66.2	-14.8	0	0	0	111.8	H231 Q232 L233 N237	H231-D235 WeakPolarHBondContact O-CB 3.49Å; H231-D235 PolarHBondContact O-N 3.32Å; Q232-D235 PolarHBondContact O-N 2.61Å; L233-D235 VanDerWaalsContact C-N 3.35Å; D235-N237 PolarHBondContact O-N 3.02Å
236	N	83.3	Confident	90.9	Very high	105 Å²	105	52.1 Å²	52.1	56%	0.561	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	13.6	171.2	-70.5	-34.3	0	0	0	114	Q232 L233 K234 Q238	Q232-N236 WeakPolarHBondContact O-CB 3.33Å; Q232-N236 VanDerWaalsContact O-CG 3.3Å; Q232-N236 PolarHBondContact O-N 3.29Å; Q232-N236 PolarHBondContact O-ND2 3.41Å; Q232-N236 VanDerWaalsContact O-ND2 3.1Å; L233-N236 CarbonylContact O-C 3.56Å; L233-N236 PolarHBondContact O-N 3.17Å; K234-N236 PolarHBondContact O-N 3.19Å; N236-Q238 PolarHBondContact O-N 3.07Å
237	N	79.6	Confident	90.9	Very high	145 Å²	145	52.1 Å²	52.1	78%	0.775	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	31	-179.1	-59.6	-56.4	0	0	0	114.5	L233 K234 D235	L233-N237 PolarHBondContact O-N 2.93Å; K234-N237 PolarHBondContact O-N 3.46Å; D235-N237 PolarHBondContact O-N 3.02Å
238	Q	77.5	Confident	90.9	Very high	102 Å²	102	52.1 Å²	52.1	48%	0.477	27%	0.267	S	S	.	.			trans	-78.4	133.2	170.4	-63.4	-165.4	-5.6	0	0	110.3	L233 N236 L240	L233-Q238 HydrophobicContact CB-CB 4.3Å; L233-Q238 VanDerWaalsContact CD2-OE1 3.28Å; L233-Q238 WeakPolarHBondContact O-CB 3.21Å; L233-Q238 PolarHBondContact O-N 3.28Å; N236-Q238 PolarHBondContact O-N 3.07Å; Q238-L240 PolarHBondContact O-N 3.19Å
239	N	77	Confident	90.9	Very high	169 Å²	169	51.5 Å²	51.5	90%	0.904	27%	0.265	S	S	*	.			trans	-73.3	95.5	178.2	-74	-22.5	0	0	0	110.3
240	L	81.2	Confident	90.9	Very high	37 Å²	37	52.1 Å²	52.1	19%	0.194	27%	0.268	C	S	.	.			trans	-81	134.7	168.6	-59.5	176.3	0	0	0	109.4	S8 F230 L233 K234 Q238 F242	S8-L240 WeakPolarHBondContact OG-CD2 3.32Å; F230-L240 HydrophobicContact CB-CD1 4.44Å; L233-L240 HydrophobicContact CB-CD2 4.41Å; L233-L240 HydrophobicContact CD1-CD2 4.45Å; K234-L240 HydrophobicContact CB-CD1 4.44Å; Q238-L240 PolarHBondContact O-N 3.19Å; L240-F242 HydrophobicContact CB-CD2 4.34Å; L240-F242 HydrophobicContact CB-CE2 4.38Å; L240-F242 WeakPolarHBondContact CB-O 3.36Å; L240-F242 HydrophobicContact CD1-CE2 4.15Å; L240-F242 HydrophobicContact CD2-CE2 4.22Å; L240-F242 HydrophobicContact CD2-CZ 4.21Å; L240-F242 HydrophobicContact CG-CE2 4.49Å; L240-F242 PolarHBondContact O-N 2.91Å
241	L	86.7	Confident	91	Very high	143 Å²	143	52.1 Å²	52.1	75%	0.749	27%	0.268	S	S	*	.	S	Bend	trans	-75	3	171.8	-66.1	176.2	0	0	0	112.9	D4	D4-L241 WeakPolarHBondContact OD1-CD1 3.43Å
242	F	92	Very high	91.1	Very high	21 Å²	21	51.9 Å²	51.9	9%	0.092	27%	0.267	C	S	.	.	S	Bend	trans	-143.3	160.3	179.6	51.2	-102.7	0	0	0	110	M1 D4 I5 F230 L240 I246 G247	M1-F242 HydrophobicContact CE-CB 3.59Å; M1-F242 HydrophobicContact CE-CD1 3.46Å; M1-F242 VanDerWaalsContact CE-CD1 3.46Å; M1-F242 HydrophobicContact CE-CD2 4.25Å; M1-F242 HydrophobicContact CE-CE1 4.18Å; M1-F242 HydrophobicContact CE-CG 3.5Å; M1-F242 VanDerWaalsContact CE-CG 3.5Å; M1-F242 HydrophobicContact SD-CB 4.15Å; M1-F242 HydrophobicContact SD-CD1 3.91Å; M1-F242 HydrophobicContact SD-CG 4.32Å; D4-F242 HydrophobicContact CB-CD1 4.17Å; D4-F242 HydrophobicContact CB-CE1 3.84Å; I5-F242 HydrophobicContact CG1-CD1 4.48Å; I5-F242 HydrophobicContact CG1-CE1 3.8Å; I5-F242 HydrophobicContact CG1-CZ 3.95Å; F230-F242 AromaticContact CD2-CE2 3.99Å; F230-F242 HydrophobicContact CD2-CE2 3.99Å; F230-F242 HydrophobicContact CE2-CE2 4.33Å; F230-F242 HydrophobicContact CG-CE2 4.28Å; L240-F242 HydrophobicContact CB-CD2 4.34Å; L240-F242 HydrophobicContact CB-CE2 4.38Å; L240-F242 WeakPolarHBondContact CB-O 3.36Å; L240-F242 HydrophobicContact CD1-CE2 4.15Å; L240-F242 HydrophobicContact CD2-CE2 4.22Å; L240-F242 HydrophobicContact CD2-CZ 4.21Å; L240-F242 HydrophobicContact CG-CE2 4.49Å; L240-F242 PolarHBondContact O-N 2.91Å; F242-I246 HydrophobicContact CB-CG2 4.44Å; F242-G247 VanDerWaalsContact CD2-CA 3.45Å
243	T	94.8	Very high	91.3	Very high	55 Å²	55	48.3 Å²	48.3	34%	0.337	25%	0.25	S	S	.	.			trans	-72.9	145.7	169.4	70.4	0	0	0	0	110.1	N196 T245 I246 G247	N196-T243 WeakPolarHBondContact ND2-CG2 3.34Å; N196-T243 PolarHBondContact ND2-OG1 3.37Å; T243-T245 PolarHBondContact O-N 3.3Å; T243-T245 VanDerWaalsContact O-N 3.08Å; T243-T245 PolarHBondContact OG1-OG1 2.89Å; T243-I246 PolarHBondContact O-N 2.97Å; T243-I246 WeakPolarHBondContact OG1-CG1 3.46Å; T243-I246 PolarHBondContact OG1-N 2.79Å; T243-G247 PolarHBondContact O-N 3.37Å
244	A	96.7	Very high	91.6	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-47.5	-44	-177.3	0	0	0	0	0	113.2	F230 A248	F230-A244 HydrophobicContact CB-CB 3.88Å; A244-A248 VanDerWaalsContact O-CB 3.26Å; A244-A248 WeakPolarHBondContact O-CB 3.49Å; A244-A248 PolarHBondContact O-N 3.16Å
245	T	98.3	Very high	92.2	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.043	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-38.8	177.9	53.9	0	0	0	0	114.6	D144 I147 T184 T243 A248 A249	D144-T245 VanDerWaalsContact O-CG2 3.25Å; D144-T245 WeakPolarHBondContact O-CG2 3.12Å; I147-T245 HydrophobicContact CD1-CG2 4.32Å; I147-T245 HydrophobicContact CG1-CG2 3.93Å; T184-T245 WeakPolarHBondContact OG1-CB 3.42Å; T184-T245 PolarHBondContact OG1-OG1 3.08Å; T243-T245 PolarHBondContact O-N 3.3Å; T243-T245 VanDerWaalsContact O-N 3.08Å; T243-T245 PolarHBondContact OG1-OG1 2.89Å; T245-A248 PolarHBondContact O-N 2.73Å; T245-A249 WeakPolarHBondContact O-CB 3.44Å; T245-A249 PolarHBondContact O-N 3.35Å
246	I	98.2	Very high	92.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-45.7	176.2	-69.2	-68.8	0	0	0	109.6	M1 T184 I194 N196 V201 F242 T243 A248 F250	M1-I246 HydrophobicContact CE-CG2 4.06Å; T184-I246 HydrophobicContact CG2-CD1 4.16Å; I194-I246 HydrophobicContact CG2-CD1 3.82Å; N196-I246 HydrophobicContact CB-CD1 4.05Å; N196-I246 HydrophobicContact CB-CG1 4.24Å; V201-I246 HydrophobicContact CG1-CG2 4.41Å; V201-I246 HydrophobicContact CG2-CG2 3.97Å; F242-I246 HydrophobicContact CB-CG2 4.44Å; T243-I246 PolarHBondContact O-N 2.97Å; T243-I246 WeakPolarHBondContact OG1-CG1 3.46Å; T243-I246 PolarHBondContact OG1-N 2.79Å; I246-A248 VanDerWaalsContact C-N 3.34Å; I246-A248 PolarHBondContact O-N 3.27Å; I246-F250 VanDerWaalsContact O-CB 3.27Å; I246-F250 WeakPolarHBondContact O-CB 3.44Å; I246-F250 PolarHBondContact O-N 3.28Å
247	G	97.7	Very high	93.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-48.2	174.2	0	0	0	0	0	111.5	F242 T243 F250 A251	F242-G247 VanDerWaalsContact CD2-CA 3.45Å; T243-G247 PolarHBondContact O-N 3.37Å; G247-F250 PolarHBondContact O-N 3.31Å; G247-A251 VanDerWaalsContact O-CB 3.29Å; G247-A251 WeakPolarHBondContact O-CB 3.32Å; G247-A251 PolarHBondContact O-N 2.71Å
248	A	98.4	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-45	-175.2	0	0	0	0	0	112	I147 F226 N227 F230 A244 T245 I246 A252	I147-A248 HydrophobicContact CD1-CB 4.07Å; F226-A248 HydrophobicContact CB-CB 3.73Å; N227-A248 HydrophobicContact CB-CB 3.97Å; F230-A248 HydrophobicContact CD2-CB 3.96Å; F230-A248 VanDerWaalsContact CD2-N 3.3Å; F230-A248 HydrophobicContact CE2-CB 4.43Å; A244-A248 VanDerWaalsContact O-CB 3.26Å; A244-A248 WeakPolarHBondContact O-CB 3.49Å; A244-A248 PolarHBondContact O-N 3.16Å; T245-A248 PolarHBondContact O-N 2.73Å; I246-A248 VanDerWaalsContact C-N 3.34Å; I246-A248 PolarHBondContact O-N 3.27Å; A248-A252 VanDerWaalsContact O-CB 3.31Å; A248-A252 WeakPolarHBondContact O-CB 3.34Å; A248-A252 PolarHBondContact O-N 3.26Å
249	A	98.6	Very high	95.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.7	-48.4	174.4	0	0	0	0	0	111.7	I147 V186 I194 M223 T245 A252 C253	I147-A249 HydrophobicContact CG2-CB 4.46Å; V186-A249 HydrophobicContact CG2-CB 3.45Å; V186-A249 VanDerWaalsContact CG2-CB 3.45Å; I194-A249 HydrophobicContact CD1-CB 4.04Å; I194-A249 HydrophobicContact CG1-CB 4.43Å; I194-A249 HydrophobicContact CG2-CB 3.55Å; M223-A249 HydrophobicContact CE-CB 4.48Å; T245-A249 WeakPolarHBondContact O-CB 3.44Å; T245-A249 PolarHBondContact O-N 3.35Å; A249-A252 PolarHBondContact O-N 3.02Å; A249-C253 WeakPolarHBondContact O-CB 3.49Å; A249-C253 PolarHBondContact O-N 3.19Å; A249-C253 PolarHBondContact O-SG 3.47Å
250	F	98.3	Very high	96.3	Very high	23 Å²	23	18.1 Å²	18.1	10%	0.101	9%	0.093	C	C	.	.	H	α-helix	trans	-65.3	-44	-178.3	-169.1	-80	0	0	0	111.7	M1 I2 I5 I194 V201 Q202 C203 I246 G247 C253 S254	M1-F250 HydrophobicContact CB-CE1 4.48Å; M1-F250 HydrophobicContact CE-CB 4.32Å; M1-F250 HydrophobicContact CG-CD1 3.96Å; M1-F250 HydrophobicContact CG-CD2 4.3Å; M1-F250 HydrophobicContact CG-CE1 4.06Å; M1-F250 HydrophobicContact CG-CE2 4.4Å; M1-F250 HydrophobicContact CG-CG 4.08Å; M1-F250 HydrophobicContact CG-CZ 4.29Å; I2-F250 HydrophobicContact CD1-CE1 4.28Å; I5-F250 HydrophobicContact CD1-CB 4.02Å; I5-F250 HydrophobicContact CD1-CD1 3.44Å; I5-F250 VanDerWaalsContact CD1-CD1 3.44Å; I5-F250 HydrophobicContact CD1-CE1 4.32Å; I5-F250 HydrophobicContact CD1-CG 4.09Å; I194-F250 HydrophobicContact CD1-CB 3.99Å; I194-F250 HydrophobicContact CD1-CD2 4.18Å; V201-F250 HydrophobicContact CB-CD2 4.48Å; V201-F250 HydrophobicContact CG2-CD2 3.88Å; Q202-F250 WeakPolarHBondContact O-CE2 3.31Å; C203-F250 HydrophobicContact CB-CD2 4.35Å; C203-F250 HydrophobicContact CB-CE2 4.22Å; I246-F250 VanDerWaalsContact O-CB 3.27Å; I246-F250 WeakPolarHBondContact O-CB 3.44Å; I246-F250 PolarHBondContact O-N 3.28Å; G247-F250 PolarHBondContact O-N 3.31Å; F250-C253 PolarHBondContact O-N 2.83Å; F250-S254 WeakPolarHBondContact CD1-OG 3.26Å; F250-S254 WeakPolarHBondContact CE1-OG 3.23Å; F250-S254 WeakPolarHBondContact O-CB 3.42Å; F250-S254 PolarHBondContact O-N 2.96Å; F250-S254 PolarHBondContact O-OG 2.82Å
251	A	98.3	Very high	97.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.6	-47.6	177.1	0	0	0	0	0	111.5	I5 F226 F230 G247 S254 L255 F288	I5-A251 HydrophobicContact CD1-CB 4.31Å; I5-A251 HydrophobicContact CG2-CB 3.79Å; F226-A251 HydrophobicContact CB-CB 4.5Å; F226-A251 HydrophobicContact CD1-CB 3.84Å; F226-A251 HydrophobicContact CD2-CB 3.83Å; F226-A251 HydrophobicContact CE1-CB 3.92Å; F226-A251 HydrophobicContact CE2-CB 3.91Å; F226-A251 HydrophobicContact CG-CB 3.81Å; F226-A251 HydrophobicContact CZ-CB 3.96Å; F230-A251 HydrophobicContact CE2-CB 4.21Å; F230-A251 HydrophobicContact CZ-CB 4.44Å; G247-A251 VanDerWaalsContact O-CB 3.29Å; G247-A251 WeakPolarHBondContact O-CB 3.32Å; G247-A251 PolarHBondContact O-N 2.71Å; A251-S254 PolarHBondContact O-N 2.58Å; A251-L255 VanDerWaalsContact O-CB 3.25Å; A251-L255 WeakPolarHBondContact O-CB 3.2Å; A251-L255 PolarHBondContact O-N 3.07Å; A251-F288 HydrophobicContact CB-CE1 4.38Å; A251-F288 HydrophobicContact CB-CZ 3.99Å
252	A	98.6	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67	-40.8	-179.6	0	0	0	0	0	113.1	L219 M223 F226 A248 A249 T256	L219-A252 VanDerWaalsContact CD1-C 3.4Å; L219-A252 HydrophobicContact CD1-CB 3.75Å; L219-A252 WeakPolarHBondContact CD1-O 3.44Å; M223-A252 HydrophobicContact CB-CB 3.55Å; M223-A252 HydrophobicContact CE-CB 3.96Å; M223-A252 HydrophobicContact CG-CB 4.01Å; F226-A252 HydrophobicContact CD2-CB 4Å; F226-A252 HydrophobicContact CE2-CB 4.43Å; A248-A252 VanDerWaalsContact O-CB 3.31Å; A248-A252 WeakPolarHBondContact O-CB 3.34Å; A248-A252 PolarHBondContact O-N 3.26Å; A249-A252 PolarHBondContact O-N 3.02Å; A252-T256 WeakPolarHBondContact O-CB 3.47Å; A252-T256 PolarHBondContact O-N 3.43Å; A252-T256 PolarHBondContact O-OG1 2.95Å
253	C	98.4	Very high	97.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.5	-51	172.9	-81.3	0	0	0	0	111.1	V186 D192 C203 A249 F250 L255 T256 R257	V186-C253 VanDerWaalsContact CG1-SG 3.59Å; D192-C253 PolarHBondContact OD2-SG 3.4Å; C203-C253 HydrophobicContact CB-CB 3.84Å; A249-C253 WeakPolarHBondContact O-CB 3.49Å; A249-C253 PolarHBondContact O-N 3.19Å; A249-C253 PolarHBondContact O-SG 3.47Å; F250-C253 PolarHBondContact O-N 2.83Å; C253-L255 PolarHBondContact O-N 3.19Å; C253-T256 PolarHBondContact O-N 3.25Å; C253-R257 VanDerWaalsContact O-CB 3.29Å; C253-R257 WeakPolarHBondContact O-CB 3.46Å; C253-R257 WeakPolarHBondContact O-CD 3.44Å; C253-R257 WeakPolarHBondContact O-CG 3.42Å; C253-R257 PolarHBondContact O-N 2.91Å
254	S	98	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.2	-47.7	-179.5	-50.3	0	0	0	0	110.5	D205 F250 A251 R257 K258	D205-S254 WeakPolarHBondContact OD2-CA 3.15Å; D205-S254 VanDerWaalsContact OD2-CB 3.25Å; D205-S254 WeakPolarHBondContact OD2-CB 3.29Å; D205-S254 PolarHBondContact OD2-OG 2.94Å; F250-S254 WeakPolarHBondContact CD1-OG 3.26Å; F250-S254 WeakPolarHBondContact CE1-OG 3.23Å; F250-S254 WeakPolarHBondContact O-CB 3.42Å; F250-S254 PolarHBondContact O-N 2.96Å; F250-S254 PolarHBondContact O-OG 2.82Å; A251-S254 PolarHBondContact O-N 2.58Å; S254-R257 PolarHBondContact O-N 2.86Å; S254-K258 VanDerWaalsContact O-CB 3.25Å; S254-K258 WeakPolarHBondContact O-CB 3.46Å; S254-K258 PolarHBondContact O-N 2.8Å
255	L	98.2	Very high	98.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-59.5	-51.2	178.4	-179.4	60.9	0	0	0	112.2	T222 F226 A251 C253 R257 K258 C259 L280 A283 F284 L287 F288	T222-L255 HydrophobicContact CG2-CD2 3.9Å; F226-L255 HydrophobicContact CE2-CD2 3.86Å; F226-L255 HydrophobicContact CZ-CD2 4.07Å; A251-L255 VanDerWaalsContact O-CB 3.25Å; A251-L255 WeakPolarHBondContact O-CB 3.2Å; A251-L255 PolarHBondContact O-N 3.07Å; C253-L255 PolarHBondContact O-N 3.19Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-R257 PolarHBondContact O-N 2.77Å; L255-K258 PolarHBondContact O-N 3.16Å; L255-C259 WeakPolarHBondContact O-CB 3.5Å; L255-C259 PolarHBondContact O-N 3.02Å; L255-L280 HydrophobicContact CD1-CD2 4.43Å; L255-L280 HydrophobicContact CD2-CD2 4.14Å; L255-L280 HydrophobicContact CG-CD2 4.02Å; L255-A283 HydrophobicContact CD1-CB 3.74Å; L255-F284 HydrophobicContact CD1-CB 3.95Å; L255-F284 HydrophobicContact CD1-CD2 4.4Å; L255-F284 HydrophobicContact CD2-CD2 4.21Å; L255-L287 HydrophobicContact CB-CD1 4.34Å; L255-L287 HydrophobicContact CD1-CD1 4.43Å; L255-F288 HydrophobicContact CB-CE2 4.16Å; L255-F288 HydrophobicContact CB-CZ 4.48Å; L255-F288 HydrophobicContact CD1-CE2 4.29Å
256	T	98.1	Very high	98.1	Very high	13 Å²	13	23 Å²	23	8%	0.08	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-40.6	-177.9	-57.2	0	0	0	0	111.1	I218 L219 A252 C253 S260 M276	I218-T256 HydrophobicContact CG2-CG2 4.21Å; L219-T256 WeakPolarHBondContact CA-OG1 3.13Å; L219-T256 HydrophobicContact CB-CG2 4.17Å; A252-T256 WeakPolarHBondContact O-CB 3.47Å; A252-T256 PolarHBondContact O-N 3.43Å; A252-T256 PolarHBondContact O-OG1 2.95Å; C253-T256 PolarHBondContact O-N 3.25Å; T256-S260 WeakPolarHBondContact O-CB 3.34Å; T256-S260 PolarHBondContact O-N 3.38Å; T256-M276 HydrophobicContact CG2-CE 4.3Å
257	R	97.7	Very high	98.1	Very high	25 Å²	25	27.9 Å²	27.9	9%	0.094	14%	0.137	C	C	.	.	H	α-helix	trans	-68	-46.8	179.7	-70	169.9	96.7	-76	3.8	111	P190 D192 D205 G207 C253 S254 L255 C259 S260 Q261	P190-R257 PolarHBondContact O-NH2 3.35Å; D192-R257 WeakPolarHBondContact OD2-CD 3.3Å; D192-R257 IonicContact OD2-NE 3.4Å; D205-R257 PolarHBondContact O-NH1 3.39Å; D205-R257 PolarHBondContact O-NH2 2.91Å; G207-R257 VanDerWaalsContact N-NH1 3.19Å; C253-R257 VanDerWaalsContact O-CB 3.29Å; C253-R257 WeakPolarHBondContact O-CB 3.46Å; C253-R257 WeakPolarHBondContact O-CD 3.44Å; C253-R257 WeakPolarHBondContact O-CG 3.42Å; C253-R257 PolarHBondContact O-N 2.91Å; S254-R257 PolarHBondContact O-N 2.86Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-R257 PolarHBondContact O-N 2.77Å; R257-C259 PolarHBondContact O-N 3.48Å; R257-S260 PolarHBondContact O-N 3.02Å; R257-S260 PolarHBondContact O-OG 3.5Å; R257-Q261 PolarHBondContact O-N 3.16Å
258	K	97.7	Very high	98.1	Very high	45 Å²	45	29 Å²	29	20%	0.196	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-44.9	174.8	-175.4	62.6	171.2	179.6	0	112.2	S254 L255 S260 Q261 L262 A283 L287	S254-K258 VanDerWaalsContact O-CB 3.25Å; S254-K258 WeakPolarHBondContact O-CB 3.46Å; S254-K258 PolarHBondContact O-N 2.8Å; L255-K258 PolarHBondContact O-N 3.16Å; K258-S260 VanDerWaalsContact C-N 3.35Å; K258-S260 PolarHBondContact O-N 2.87Å; K258-Q261 WeakPolarHBondContact O-CB 3.22Å; K258-Q261 PolarHBondContact O-N 3.09Å; K258-Q261 VanDerWaalsContact O-N 3.14Å; K258-L262 WeakPolarHBondContact O-CG 3.49Å; K258-L262 PolarHBondContact O-N 2.95Å; K258-A283 HydrophobicContact CB-CB 3.96Å; K258-A283 HydrophobicContact CG-CB 3.69Å; K258-L287 HydrophobicContact CB-CD1 3.78Å; K258-L287 HydrophobicContact CB-CG 4.34Å; K258-L287 HydrophobicContact CG-CD1 4.12Å; K258-L287 HydrophobicContact CG-CG 4.2Å
259	C	97.8	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.1	-46.6	174.3	171.4	0	0	0	0	111.8	L255 R257 Q261 L262 A263 M276 L280 A283	L255-C259 WeakPolarHBondContact O-CB 3.5Å; L255-C259 PolarHBondContact O-N 3.02Å; R257-C259 PolarHBondContact O-N 3.48Å; C259-Q261 VanDerWaalsContact C-N 3.31Å; C259-Q261 PolarHBondContact O-N 3.39Å; C259-L262 PolarHBondContact O-N 2.72Å; C259-A263 PolarHBondContact O-N 2.7Å; C259-M276 PolarHBondContact SG-O 3.13Å; C259-L280 HydrophobicContact CB-CD2 4.2Å; C259-A283 HydrophobicContact CB-CB 3.9Å
260	S	97.9	Very high	98	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-37	176.2	80.3	0	0	0	0	112.6	S208 T256 R257 K258 Y264	S208-S260 WeakPolarHBondContact CB-O 3.44Å; S208-S260 PolarHBondContact N-OG 3.14Å; T256-S260 WeakPolarHBondContact O-CB 3.34Å; T256-S260 PolarHBondContact O-N 3.38Å; R257-S260 PolarHBondContact O-N 3.02Å; R257-S260 PolarHBondContact O-OG 3.5Å; K258-S260 VanDerWaalsContact C-N 3.35Å; K258-S260 PolarHBondContact O-N 2.87Å; S260-Y264 VanDerWaalsContact O-CB 3.23Å; S260-Y264 WeakPolarHBondContact O-CB 2.92Å; S260-Y264 PolarHBondContact O-N 3.43Å
261	Q	97.8	Very high	98	Very high	58 Å²	58	42.7 Å²	42.7	27%	0.271	21%	0.214	S	C	.	.	H	α-helix	trans	-63.7	-47.6	177.3	-175.3	-169.1	43.1	0	0	110.9	R257 K258 C259 Y264 A265	R257-Q261 PolarHBondContact O-N 3.16Å; K258-Q261 WeakPolarHBondContact O-CB 3.22Å; K258-Q261 PolarHBondContact O-N 3.09Å; K258-Q261 VanDerWaalsContact O-N 3.14Å; C259-Q261 VanDerWaalsContact C-N 3.31Å; C259-Q261 PolarHBondContact O-N 3.39Å; Q261-Y264 PolarHBondContact O-N 3.49Å; Q261-A265 PolarHBondContact O-N 3.35Å
262	L	98.3	Very high	98	Very high	29 Å²	29	46.7 Å²	46.7	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-45.4	179.1	-67	178.9	0	0	0	111.8	K258 C259 Y264 A265 K266 E279 H282 A283	K258-L262 WeakPolarHBondContact O-CG 3.49Å; K258-L262 PolarHBondContact O-N 2.95Å; C259-L262 PolarHBondContact O-N 2.72Å; L262-Y264 PolarHBondContact O-N 2.81Å; L262-A265 PolarHBondContact O-N 3.04Å; L262-K266 PolarHBondContact O-N 3.3Å; L262-E279 HydrophobicContact CB-CB 4.03Å; L262-E279 HydrophobicContact CB-CG 4.09Å; L262-H282 HydrophobicContact CD1-CB 3.85Å; L262-A283 HydrophobicContact CD1-CB 4.05Å
263	A	98.3	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-40.6	177.2	0	0	0	0	0	111.5	C259 A265 K266 Y267 M271 M276 E279	C259-A263 PolarHBondContact O-N 2.7Å; A263-A265 VanDerWaalsContact C-N 3.32Å; A263-A265 PolarHBondContact O-N 3.41Å; A263-K266 PolarHBondContact O-N 3.2Å; A263-K266 VanDerWaalsContact O-N 3.11Å; A263-Y267 VanDerWaalsContact O-CD2 3.25Å; A263-Y267 WeakPolarHBondContact O-CD2 3.33Å; A263-Y267 PolarHBondContact O-N 3.2Å; A263-M271 HydrophobicContact CB-CG 4.03Å; A263-M271 HydrophobicContact CB-SD 3.5Å; A263-M271 VanDerWaalsContact CB-SD 3.5Å; A263-M276 HydrophobicContact CB-CB 4.49Å; A263-M276 HydrophobicContact CB-CG 3.76Å; A263-E279 HydrophobicContact CB-CG 3.89Å
264	Y	98.3	Very high	97.9	Very high	78 Å²	78	50.2 Å²	50.2	31%	0.306	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-34.4	178.5	-175.1	-97.5	0	0	0	112.4	S208 P209 R210 S260 Q261 L262 K266 Y267 G268 M271	S208-Y264 VanDerWaalsContact CB-CB 3.45Å; P209-Y264 HydrophobicContact CG-CD1 4.24Å; P209-Y264 HydrophobicContact CG-CD2 4.4Å; P209-Y264 HydrophobicContact CG-CE1 3.62Å; P209-Y264 HydrophobicContact CG-CE2 3.8Å; P209-Y264 WeakPolarHBondContact CG-OH 3.3Å; R210-Y264 HydrophobicContact CB-CD2 3.76Å; R210-Y264 HydrophobicContact CB-CE2 3.84Å; S260-Y264 VanDerWaalsContact O-CB 3.23Å; S260-Y264 WeakPolarHBondContact O-CB 2.92Å; S260-Y264 PolarHBondContact O-N 3.43Å; Q261-Y264 PolarHBondContact O-N 3.49Å; L262-Y264 PolarHBondContact O-N 2.81Å; Y264-K266 PolarHBondContact O-N 3.03Å; Y264-Y267 PolarHBondContact O-N 2.81Å; Y264-G268 WeakPolarHBondContact CD2-O 3.48Å; Y264-G268 WeakPolarHBondContact CE2-O 3.25Å; Y264-G268 WeakPolarHBondContact O-CA 3.48Å; Y264-G268 PolarHBondContact O-N 3.46Å; Y264-M271 PolarHBondContact N-SD 3.08Å
265	A	98.2	Very high	97.9	Very high	86 Å²	86	52.2 Å²	52.2	71%	0.711	27%	0.265	S	S	*	.	H	α-helix	trans	-60.6	-30	174.1	0	0	0	0	0	112.4	Q261 L262 A263	Q261-A265 PolarHBondContact O-N 3.35Å; L262-A265 PolarHBondContact O-N 3.04Å; A263-A265 VanDerWaalsContact C-N 3.32Å; A263-A265 PolarHBondContact O-N 3.41Å
266	K	98.3	Very high	98	Very high	118 Å²	118	52.2 Å²	52.2	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-85.8	-39.8	179.4	-63	-179.5	-172.4	179.1	0	113.4	L262 A263 Y264 E279	L262-K266 PolarHBondContact O-N 3.3Å; A263-K266 PolarHBondContact O-N 3.2Å; A263-K266 VanDerWaalsContact O-N 3.11Å; Y264-K266 PolarHBondContact O-N 3.03Å; K266-E279 WeakPolarHBondContact CE-OE1 3.3Å; K266-E279 WeakPolarHBondContact CE-OE2 3.33Å; K266-E279 IonicContact NZ-OE1 3.05Å; K266-E279 PolarHBondContact NZ-OE1 3.21Å; K266-E279 IonicContact NZ-OE2 3.5Å; K266-E279 PolarHBondContact NZ-OE2 3.41Å
267	Y	98.1	Very high	98	Very high	105 Å²	105	52 Å²	52	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-114.2	-10.7	-168.9	-59.3	-72.6	0	0	0	114.4	A263 Y264 R269 S270 Q275	A263-Y267 VanDerWaalsContact O-CD2 3.25Å; A263-Y267 WeakPolarHBondContact O-CD2 3.33Å; A263-Y267 PolarHBondContact O-N 3.2Å; Y264-Y267 PolarHBondContact O-N 2.81Å; Y267-R269 PolarHBondContact O-N 3.1Å; Y267-S270 WeakPolarHBondContact O-CB 3.38Å; Y267-S270 PolarHBondContact O-N 3.45Å; Y267-S270 VanDerWaalsContact O-N 3.09Å; Y267-Q275 HydrophobicContact CD2-CB 3.79Å; Y267-Q275 HydrophobicContact CD2-CG 4.07Å; Y267-Q275 HydrophobicContact CE1-CG 4.41Å; Y267-Q275 HydrophobicContact CE2-CB 3.62Å; Y267-Q275 HydrophobicContact CE2-CG 3.82Å; Y267-Q275 HydrophobicContact CG-CG 4.49Å
268	G	97.4	Very high	97.9	Very high	23 Å²	23	54.2 Å²	54.2	24%	0.237	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	50.9	-132.6	-177.5	0	0	0	0	0	112.3	Y264 S270 M271	Y264-G268 WeakPolarHBondContact CD2-O 3.48Å; Y264-G268 WeakPolarHBondContact CE2-O 3.25Å; Y264-G268 WeakPolarHBondContact O-CA 3.48Å; Y264-G268 PolarHBondContact O-N 3.46Å; G268-S270 PolarHBondContact O-N 3.04Å; G268-S270 VanDerWaalsContact O-N 3.14Å; G268-M271 WeakPolarHBondContact O-CB 3.41Å; G268-M271 PolarHBondContact O-N 2.84Å; G268-M271 VanDerWaalsContact O-N 3.13Å
269	R	97.5	Very high	97.9	Very high	216 Å²	216	52.6 Å²	52.6	82%	0.815	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-57.7	-28.6	-180	-177.3	173.6	179.2	154.4	-0	113.6	Y267 M271	Y267-R269 PolarHBondContact O-N 3.1Å; R269-M271 PolarHBondContact O-N 2.86Å
270	S	97.5	Very high	98	Very high	96 Å²	96	52.7 Å²	52.7	67%	0.671	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-80.8	-0.4	-177.3	-57.4	0	0	0	0	113.5	Y267 G268 I272	Y267-S270 WeakPolarHBondContact O-CB 3.38Å; Y267-S270 PolarHBondContact O-N 3.45Å; Y267-S270 VanDerWaalsContact O-N 3.09Å; G268-S270 PolarHBondContact O-N 3.04Å; G268-S270 VanDerWaalsContact O-N 3.14Å; S270-I272 PolarHBondContact O-N 2.84Å
271	M	98.1	Very high	97.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.			trans	-57.7	132.6	179.3	-170.8	-169.1	74.8	0	0	112.6	S208 R210 Q215 A263 Y264 G268 R269 Q275 M276	S208-M271 WeakPolarHBondContact OG-CE 3.29Å; R210-M271 HydrophobicContact CB-CE 3.99Å; R210-M271 HydrophobicContact CG-CB 4.34Å; R210-M271 HydrophobicContact CG-CE 4.02Å; Q215-M271 VanDerWaalsContact NE2-CE 3.27Å; A263-M271 HydrophobicContact CB-CG 4.03Å; A263-M271 HydrophobicContact CB-SD 3.5Å; A263-M271 VanDerWaalsContact CB-SD 3.5Å; Y264-M271 PolarHBondContact N-SD 3.08Å; G268-M271 WeakPolarHBondContact O-CB 3.41Å; G268-M271 PolarHBondContact O-N 2.84Å; G268-M271 VanDerWaalsContact O-N 3.13Å; R269-M271 PolarHBondContact O-N 2.86Å; M271-Q275 VanDerWaalsContact CA-OE1 3.27Å; M271-M276 HydrophobicContact CE-SD 4.13Å; M271-M276 HydrophobicContact SD-CG 4.23Å
272	I	97.8	Very high	97.9	Very high	84 Å²	84	58.6 Å²	58.6	43%	0.431	30%	0.302	S	S	.	.			trans	-123.5	163.2	171.1	58.2	171.2	0	0	0	111.2	S270 T274 Q275	S270-I272 PolarHBondContact O-N 2.84Å; I272-T274 VanDerWaalsContact C-N 3.34Å; I272-T274 WeakPolarHBondContact CD1-OG1 2.97Å; I272-T274 WeakPolarHBondContact CG1-OG1 3.28Å; I272-T274 PolarHBondContact O-N 3.37Å; I272-Q275 HydrophobicContact CG1-CG 3.89Å; I272-Q275 WeakPolarHBondContact O-CB 3.5Å; I272-Q275 PolarHBondContact O-N 3.44Å; I272-Q275 VanDerWaalsContact O-N 3.07Å
273	T	97.9	Very high	97.9	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.031	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-62.8	-34.1	-173.3	-57.5	0	0	0	0	113.8	F39 G213 G214 I218 Q275 M276	F39-T273 HydrophobicContact CD1-CG2 3.64Å; F39-T273 HydrophobicContact CD2-CG2 4.14Å; F39-T273 HydrophobicContact CE1-CG2 3.63Å; F39-T273 HydrophobicContact CE2-CG2 4.13Å; F39-T273 HydrophobicContact CG-CG2 3.92Å; F39-T273 HydrophobicContact CZ-CG2 3.9Å; G213-T273 PolarHBondContact O-OG1 2.83Å; G214-T273 VanDerWaalsContact C-CG2 3.44Å; G214-T273 WeakPolarHBondContact O-CG2 3.41Å; I218-T273 HydrophobicContact CD1-CG2 3.55Å; I218-T273 HydrophobicContact CG1-CG2 4.09Å; T273-Q275 PolarHBondContact O-N 3.01Å; T273-M276 WeakPolarHBondContact O-CB 3.49Å; T273-M276 PolarHBondContact O-N 2.62Å
274	T	97.9	Very high	97.8	Very high	68 Å²	68	58.9 Å²	58.9	42%	0.417	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-60.2	-29.2	175.6	51.1	0	0	0	0	112.7	F39 I272 M276 L277 P278	F39-T274 HydrophobicContact CE1-CG2 3.76Å; F39-T274 HydrophobicContact CZ-CG2 3.72Å; I272-T274 VanDerWaalsContact C-N 3.34Å; I272-T274 WeakPolarHBondContact CD1-OG1 2.97Å; I272-T274 WeakPolarHBondContact CG1-OG1 3.28Å; I272-T274 PolarHBondContact O-N 3.37Å; T274-M276 VanDerWaalsContact C-N 3.28Å; T274-M276 PolarHBondContact O-N 3.15Å; T274-L277 PolarHBondContact O-N 3.35Å; T274-P278 WeakPolarHBondContact O-CD 3.26Å
275	Q	98.1	Very high	97.7	Very high	43 Å²	43	59.1 Å²	59.1	20%	0.201	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-78.2	-11.9	177	-66.7	166.8	-27.1	0	0	113.2	Y267 M271 I272 T273	Y267-Q275 HydrophobicContact CD2-CB 3.79Å; Y267-Q275 HydrophobicContact CD2-CG 4.07Å; Y267-Q275 HydrophobicContact CE1-CG 4.41Å; Y267-Q275 HydrophobicContact CE2-CB 3.62Å; Y267-Q275 HydrophobicContact CE2-CG 3.82Å; Y267-Q275 HydrophobicContact CG-CG 4.49Å; M271-Q275 VanDerWaalsContact CA-OE1 3.27Å; I272-Q275 HydrophobicContact CG1-CG 3.89Å; I272-Q275 WeakPolarHBondContact O-CB 3.5Å; I272-Q275 PolarHBondContact O-N 3.44Å; I272-Q275 VanDerWaalsContact O-N 3.07Å; T273-Q275 PolarHBondContact O-N 3.01Å
276	M	98.4	Very high	97.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-31.8	171.5	-72	176.9	53.6	0	0	111.8	Q215 I218 T256 C259 A263 M271 T273 T274 E279 L280	Q215-M276 HydrophobicContact CG-CE 4.19Å; Q215-M276 HydrophobicContact CG-SD 3.64Å; I218-M276 HydrophobicContact CD1-CB 3.78Å; I218-M276 HydrophobicContact CD1-CE 4.06Å; T256-M276 HydrophobicContact CG2-CE 4.3Å; C259-M276 PolarHBondContact SG-O 3.13Å; A263-M276 HydrophobicContact CB-CB 4.49Å; A263-M276 HydrophobicContact CB-CG 3.76Å; M271-M276 HydrophobicContact CE-SD 4.13Å; M271-M276 HydrophobicContact SD-CG 4.23Å; T273-M276 WeakPolarHBondContact O-CB 3.49Å; T273-M276 PolarHBondContact O-N 2.62Å; T274-M276 VanDerWaalsContact C-N 3.28Å; T274-M276 PolarHBondContact O-N 3.15Å; M276-E279 WeakPolarHBondContact O-CA 3.31Å; M276-E279 WeakPolarHBondContact O-CB 3.33Å; M276-E279 PolarHBondContact O-N 3.41Å; M276-L280 PolarHBondContact O-N 3.18Å
277	L	98.2	Very high	97.5	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.047	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-45.4	-175.4	-61.4	176.1	0	0	0	113.8	Y38 F39 I42 I218 T274 E279 L280	Y38-L277 HydrophobicContact CE1-CD1 4.44Å; F39-L277 HydrophobicContact CD1-CD1 4.22Å; F39-L277 HydrophobicContact CD1-CD2 4.48Å; F39-L277 HydrophobicContact CE1-CD1 4.24Å; I42-L277 HydrophobicContact CG2-CD1 3.65Å; I42-L277 HydrophobicContact CG2-CD2 3.8Å; I42-L277 HydrophobicContact CG2-CG 4.39Å; I218-L277 HydrophobicContact CD1-CD2 3.87Å; I218-L277 HydrophobicContact CG1-CD2 4.09Å; T274-L277 PolarHBondContact O-N 3.35Å; L277-E279 PolarHBondContact O-N 3.42Å; L277-L280 HydrophobicContact CD2-CD1 4.08Å; L277-L280 WeakPolarHBondContact O-CB 3.45Å; L277-L280 PolarHBondContact O-N 2.78Å
278	P	97.1	Very high	97.3	Very high	72 Å²	72	51.6 Å²	51.6	47%	0.468	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28	176.2	-22.1	34.9	0	0	0	113.6	T274 L280	T274-P278 WeakPolarHBondContact O-CD 3.26Å; P278-L280 VanDerWaalsContact C-N 3.3Å; P278-L280 PolarHBondContact O-N 3.16Å
279	E	98.1	Very high	96.8	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-79.9	-10.3	-179.8	-52	-53.2	136.9	0	0	113.2	L262 A263 K266 M276 L277 H281 H282 A283	L262-E279 HydrophobicContact CB-CB 4.03Å; L262-E279 HydrophobicContact CB-CG 4.09Å; A263-E279 HydrophobicContact CB-CG 3.89Å; K266-E279 WeakPolarHBondContact CE-OE1 3.3Å; K266-E279 WeakPolarHBondContact CE-OE2 3.33Å; K266-E279 IonicContact NZ-OE1 3.05Å; K266-E279 PolarHBondContact NZ-OE1 3.21Å; K266-E279 IonicContact NZ-OE2 3.5Å; K266-E279 PolarHBondContact NZ-OE2 3.41Å; M276-E279 WeakPolarHBondContact O-CA 3.31Å; M276-E279 WeakPolarHBondContact O-CB 3.33Å; M276-E279 PolarHBondContact O-N 3.41Å; L277-E279 PolarHBondContact O-N 3.42Å; E279-H281 VanDerWaalsContact C-N 3.3Å; E279-H281 PolarHBondContact O-N 3.32Å; E279-H282 PolarHBondContact O-N 2.98Å; E279-H282 IonicContact OE2-CD2 3.81Å; E279-A283 VanDerWaalsContact O-CB 3.23Å; E279-A283 WeakPolarHBondContact O-CB 3.5Å; E279-A283 PolarHBondContact O-N 3.45Å
280	L	98.1	Very high	95.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-44.9	175.8	-80.8	168.8	0	0	0	111.2	H46 I218 T222 L255 C259 M276 L277 P278 A283 F284	H46-L280 HydrophobicContact CB-CB 4.2Å; H46-L280 HydrophobicContact CB-CD1 3.58Å; I218-L280 HydrophobicContact CG2-CD1 4.32Å; I218-L280 HydrophobicContact CG2-CD2 3.96Å; T222-L280 HydrophobicContact CG2-CD2 4Å; L255-L280 HydrophobicContact CD1-CD2 4.43Å; L255-L280 HydrophobicContact CD2-CD2 4.14Å; L255-L280 HydrophobicContact CG-CD2 4.02Å; C259-L280 HydrophobicContact CB-CD2 4.2Å; M276-L280 PolarHBondContact O-N 3.18Å; L277-L280 HydrophobicContact CD2-CD1 4.08Å; L277-L280 WeakPolarHBondContact O-CB 3.45Å; L277-L280 PolarHBondContact O-N 2.78Å; P278-L280 VanDerWaalsContact C-N 3.3Å; P278-L280 PolarHBondContact O-N 3.16Å; L280-A283 PolarHBondContact O-N 3.46Å; L280-F284 VanDerWaalsContact O-CB 3.24Å; L280-F284 WeakPolarHBondContact O-CB 3.16Å; L280-F284 PolarHBondContact O-N 2.9Å
281	H	96.7	Very high	93.8	Very high	102 Å²	102	51.3 Å²	51.3	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-50	176.8	170.1	59	0	0	0	111.6	E279 A283 F284 E285	E279-H281 VanDerWaalsContact C-N 3.3Å; E279-H281 PolarHBondContact O-N 3.32Å; H281-A283 VanDerWaalsContact C-N 3.32Å; H281-A283 PolarHBondContact O-N 3.24Å; H281-F284 WeakPolarHBondContact O-CB 3.49Å; H281-F284 PolarHBondContact O-N 2.79Å; H281-E285 VanDerWaalsContact CE1-CG 3.49Å; H281-E285 WeakPolarHBondContact CE1-CG 3.25Å; H281-E285 IonicContact CE1-OE1 2.64Å; H281-E285 WeakPolarHBondContact O-CG 3.22Å; H281-E285 PolarHBondContact O-N 3.47Å
282	H	97.7	Very high	91.2	Very high	85 Å²	85	55.8 Å²	55.8	39%	0.394	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-36.9	-179.6	-61	-49.5	0	0	0	112.9	L262 E279 Q286	L262-H282 HydrophobicContact CD1-CB 3.85Å; E279-H282 PolarHBondContact O-N 2.98Å; E279-H282 IonicContact OE2-CD2 3.81Å; H282-Q286 WeakPolarHBondContact O-CG 3.45Å; H282-Q286 PolarHBondContact O-N 3.23Å; H282-Q286 VanDerWaalsContact O-N 3.11Å
283	A	97.9	Very high	88.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.8	-41.1	174.5	0	0	0	0	0	111.6	L255 K258 C259 L262 E279 L280 H281 Q286 L287	L255-A283 HydrophobicContact CD1-CB 3.74Å; K258-A283 HydrophobicContact CB-CB 3.96Å; K258-A283 HydrophobicContact CG-CB 3.69Å; C259-A283 HydrophobicContact CB-CB 3.9Å; L262-A283 HydrophobicContact CD1-CB 4.05Å; E279-A283 VanDerWaalsContact O-CB 3.23Å; E279-A283 WeakPolarHBondContact O-CB 3.5Å; E279-A283 PolarHBondContact O-N 3.45Å; L280-A283 PolarHBondContact O-N 3.46Å; H281-A283 VanDerWaalsContact C-N 3.32Å; H281-A283 PolarHBondContact O-N 3.24Å; A283-Q286 PolarHBondContact O-N 3.22Å; A283-L287 WeakPolarHBondContact O-CB 3.42Å; A283-L287 VanDerWaalsContact O-CG 3.29Å; A283-L287 WeakPolarHBondContact O-CG 3.45Å; A283-L287 PolarHBondContact O-N 3.37Å; A283-L287 VanDerWaalsContact O-N 3.11Å
284	F	97.2	Very high	85.7	Confident	34 Å²	34	68.8 Å²	68.8	15%	0.149	37%	0.371	C	S	.	.	H	α-helix	trans	-60.3	-49.9	176	-166.6	-77.2	0	0	0	110.7	I9 F226 W229 L255 L280 H281 Q286 L287 F288	I9-F284 HydrophobicContact CD1-CZ 4.15Å; I9-F284 HydrophobicContact CG2-CE1 4.31Å; I9-F284 HydrophobicContact CG2-CZ 3.75Å; F226-F284 HydrophobicContact CE1-CE2 4.21Å; F226-F284 HydrophobicContact CZ-CD2 4.46Å; F226-F284 AromaticContact CZ-CE2 3.99Å; F226-F284 HydrophobicContact CZ-CE2 3.99Å; W229-F284 HydrophobicContact CH2-CE2 4.44Å; W229-F284 HydrophobicContact CH2-CZ 4.49Å; W229-F284 HydrophobicContact CZ3-CE2 4.2Å; W229-F284 HydrophobicContact CZ3-CZ 4.27Å; L255-F284 HydrophobicContact CD1-CB 3.95Å; L255-F284 HydrophobicContact CD1-CD2 4.4Å; L255-F284 HydrophobicContact CD2-CD2 4.21Å; L280-F284 VanDerWaalsContact O-CB 3.24Å; L280-F284 WeakPolarHBondContact O-CB 3.16Å; L280-F284 PolarHBondContact O-N 2.9Å; H281-F284 WeakPolarHBondContact O-CB 3.49Å; H281-F284 PolarHBondContact O-N 2.79Å; F284-Q286 VanDerWaalsContact C-N 3.35Å; F284-Q286 PolarHBondContact O-N 3.12Å; F284-L287 PolarHBondContact O-N 3.02Å; F284-F288 HydrophobicContact CB-CD2 4.42Å; F284-F288 HydrophobicContact CD1-CB 4.13Å; F284-F288 HydrophobicContact CD1-CD2 4.05Å; F284-F288 AromaticContact CD2-CD2 3.61Å; F284-F288 HydrophobicContact CD2-CD2 3.61Å; F284-F288 HydrophobicContact CD2-CE2 4.06Å; F284-F288 HydrophobicContact CE1-CB 3.97Å; F284-F288 HydrophobicContact CE1-CD2 4.18Å; F284-F288 AromaticContact CE2-CD2 3.77Å; F284-F288 HydrophobicContact CE2-CD2 3.77Å; F284-F288 HydrophobicContact CE2-CE2 4.29Å; F284-F288 AromaticContact CG-CD2 3.76Å; F284-F288 HydrophobicContact CG-CD2 3.76Å; F284-F288 HydrophobicContact CZ-CB 4.39Å; F284-F288 HydrophobicContact CZ-CD2 4.06Å; F284-F288 WeakPolarHBondContact O-CB 3.35Å; F284-F288 PolarHBondContact O-N 3.35Å
285	E	95.6	Very high	85.1	Confident	83 Å²	83	68.8 Å²	68.8	39%	0.388	37%	0.369	S	S	.	.	H	α-helix	trans	-58.8	-44.1	177.6	-71.1	-63.1	138.4	0	0	112.4	H281 L287 T289	H281-E285 VanDerWaalsContact CE1-CG 3.49Å; H281-E285 WeakPolarHBondContact CE1-CG 3.25Å; H281-E285 IonicContact CE1-OE1 2.64Å; H281-E285 WeakPolarHBondContact O-CG 3.22Å; H281-E285 PolarHBondContact O-N 3.47Å; E285-L287 VanDerWaalsContact C-N 3.26Å; E285-L287 PolarHBondContact O-N 2.85Å; E285-T289 WeakPolarHBondContact CA-OG1 3.31Å; E285-T289 VanDerWaalsContact O-CB 3.26Å; E285-T289 WeakPolarHBondContact O-CB 3.47Å; E285-T289 PolarHBondContact O-N 3.21Å; E285-T289 PolarHBondContact O-OG1 2.96Å; E285-T289 WeakPolarHBondContact OE2-CB 3.3Å; E285-T289 PolarHBondContact OE2-OG1 3Å
286	Q	95.7	Very high	84.4	Confident	113 Å²	113	70.2 Å²	70.2	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-68.4	-23.4	180	-74.5	-176.4	33.1	0	0	114	H282 A283 F284	H282-Q286 WeakPolarHBondContact O-CG 3.45Å; H282-Q286 PolarHBondContact O-N 3.23Å; H282-Q286 VanDerWaalsContact O-N 3.11Å; A283-Q286 PolarHBondContact O-N 3.22Å; F284-Q286 VanDerWaalsContact C-N 3.35Å; F284-Q286 PolarHBondContact O-N 3.12Å
287	L	95.8	Very high	83.7	Confident	30 Å²	30	74.1 Å²	74.1	16%	0.157	40%	0.399	C	S	.	.	H	α-helix	trans	-99.1	-35.8	-177	-72	170.9	0	0	0	113.2	I2 T6 L255 K258 A283 F284 E285	I2-L287 HydrophobicContact CD1-CD2 4.4Å; T6-L287 PolarHBondContact OG1-O 3.09Å; L255-L287 HydrophobicContact CB-CD1 4.34Å; L255-L287 HydrophobicContact CD1-CD1 4.43Å; K258-L287 HydrophobicContact CB-CD1 3.78Å; K258-L287 HydrophobicContact CB-CG 4.34Å; K258-L287 HydrophobicContact CG-CD1 4.12Å; K258-L287 HydrophobicContact CG-CG 4.2Å; A283-L287 WeakPolarHBondContact O-CB 3.42Å; A283-L287 VanDerWaalsContact O-CG 3.29Å; A283-L287 WeakPolarHBondContact O-CG 3.45Å; A283-L287 PolarHBondContact O-N 3.37Å; A283-L287 VanDerWaalsContact O-N 3.11Å; F284-L287 PolarHBondContact O-N 3.02Å; E285-L287 VanDerWaalsContact C-N 3.26Å; E285-L287 PolarHBondContact O-N 2.85Å
288	F	94.8	Very high	82.8	Confident	8 Å²	8	77.9 Å²	77.9	4%	0.035	42%	0.419	C	S	.	.	H	α-helix	trans	-127	-1.3	-161.8	-55.2	-47.3	0	0	0	114	I2 I5 T6 I9 F226 A251 L255 F284	I2-F288 HydrophobicContact CD1-CD1 4.27Å; I2-F288 HydrophobicContact CD1-CE1 3.62Å; I2-F288 HydrophobicContact CD1-CZ 4.5Å; I5-F288 HydrophobicContact CG2-CD1 3.96Å; I5-F288 HydrophobicContact CG2-CE1 3.55Å; I5-F288 HydrophobicContact CG2-CZ 4.4Å; T6-F288 VanDerWaalsContact CG2-O 3.27Å; T6-F288 WeakPolarHBondContact CG2-O 3.41Å; I9-F288 HydrophobicContact CD1-CB 3.42Å; I9-F288 VanDerWaalsContact CD1-CB 3.42Å; I9-F288 HydrophobicContact CD1-CD1 3.42Å; I9-F288 VanDerWaalsContact CD1-CD1 3.42Å; I9-F288 HydrophobicContact CD1-CD2 3.65Å; I9-F288 HydrophobicContact CD1-CE1 4.05Å; I9-F288 HydrophobicContact CD1-CE2 4.26Å; I9-F288 HydrophobicContact CD1-CG 3.19Å; I9-F288 HydrophobicContact CD1-CZ 4.43Å; F226-F288 HydrophobicContact CE1-CE2 4.26Å; F226-F288 HydrophobicContact CZ-CD2 4.36Å; F226-F288 AromaticContact CZ-CE2 3.63Å; F226-F288 HydrophobicContact CZ-CE2 3.63Å; F226-F288 HydrophobicContact CZ-CZ 4.06Å; A251-F288 HydrophobicContact CB-CE1 4.38Å; A251-F288 HydrophobicContact CB-CZ 3.99Å; L255-F288 HydrophobicContact CB-CE2 4.16Å; L255-F288 HydrophobicContact CB-CZ 4.48Å; L255-F288 HydrophobicContact CD1-CE2 4.29Å; F284-F288 HydrophobicContact CB-CD2 4.42Å; F284-F288 HydrophobicContact CD1-CB 4.13Å; F284-F288 HydrophobicContact CD1-CD2 4.05Å; F284-F288 AromaticContact CD2-CD2 3.61Å; F284-F288 HydrophobicContact CD2-CD2 3.61Å; F284-F288 HydrophobicContact CD2-CE2 4.06Å; F284-F288 HydrophobicContact CE1-CB 3.97Å; F284-F288 HydrophobicContact CE1-CD2 4.18Å; F284-F288 AromaticContact CE2-CD2 3.77Å; F284-F288 HydrophobicContact CE2-CD2 3.77Å; F284-F288 HydrophobicContact CE2-CE2 4.29Å; F284-F288 AromaticContact CG-CD2 3.76Å; F284-F288 HydrophobicContact CG-CD2 3.76Å; F284-F288 HydrophobicContact CZ-CB 4.39Å; F284-F288 HydrophobicContact CZ-CD2 4.06Å; F284-F288 WeakPolarHBondContact O-CB 3.35Å; F284-F288 PolarHBondContact O-N 3.35Å
289	T	86.8	Confident	81.9	Confident	62 Å²	62	78.3 Å²	78.3	38%	0.38	42%	0.416	S	S	.	.	S	Bend	trans	-94.5	128.8	170.1	-55.8	0	0	0	0	108.5	E285 T291	E285-T289 WeakPolarHBondContact CA-OG1 3.31Å; E285-T289 VanDerWaalsContact O-CB 3.26Å; E285-T289 WeakPolarHBondContact O-CB 3.47Å; E285-T289 PolarHBondContact O-N 3.21Å; E285-T289 PolarHBondContact O-OG1 2.96Å; E285-T289 WeakPolarHBondContact OE2-CB 3.3Å; E285-T289 PolarHBondContact OE2-OG1 3Å; T289-T291 PolarHBondContact O-N 3.19Å
290	K	73.2	Confident	80.8	Confident	138 Å²	138	82.8 Å²	82.8	60%	0.6	44%	0.441	S	S	*	.			trans	-62.5	112.9	171.8	-68.3	-176.8	-179.7	-179.2	0	107.8	T6 N7 S292	T6-K290 HydrophobicContact CG2-CG 4.12Å; N7-K290 WeakPolarHBondContact OD1-CE 3.22Å; N7-K290 PolarHBondContact OD1-NZ 2.66Å; K290-S292 PolarHBondContact O-N 3.1Å
291	T	58	Low	79.6	Confident	129 Å²	129	88.6 Å²	88.6	79%	0.791	47%	0.472	S	S	*	.			trans	-55.7	111	161.5	-39.4	0	0	0	0	105.4	T289 I293	T289-T291 PolarHBondContact O-N 3.19Å; T291-I293 VanDerWaalsContact C-N 3.28Å; T291-I293 PolarHBondContact O-N 3.02Å
292	S	44.7	Very low	78.3	Confident	94 Å²	94	87.5 Å²	87.5	66%	0.657	47%	0.472	S	S	*	.			trans	-61.9	102.1	169.2	-60	0	0	0	0	105.1	K290 T294	K290-S292 PolarHBondContact O-N 3.1Å; S292-T294 PolarHBondContact O-N 2.83Å
293	I	42.2	Very low	76.7	Confident	168 Å²	168	87.8 Å²	87.8	86%	0.862	48%	0.478	S	S	*	.			trans	-64.3	97.6	161.5	-55.1	175.4	0	0	0	103	T291	T291-I293 VanDerWaalsContact C-N 3.28Å; T291-I293 PolarHBondContact O-N 3.02Å
294	T	38.2	Very low	74.7	Confident	194 Å²	194	95.7 Å²	95.7	100%	1.19	52%	0.522	S	S	*	.			trans	-77.2	0	168.6	27.1	0	0	0	0	108.5	S292	S292-T294 PolarHBondContact O-N 2.83Å

Retrieved 294 of 294 residues in 60.6 ms (Link to these results)

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