A0A2J8QB08_PANTR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A2J8QB08, Species PANTR (Pan troglodytes, Chimpanzee), Gene n/a, Length 330 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	41.8	Very low	70.4	Confident	252 Å²	252	120.2 Å²	120.2	100%	1.241	65%	0.645	S	S	*	*				0	101.3	0	-71.1	173.8	173.5	0	0	106.4
2	S	36.9	Very low	72.8	Confident	114 Å²	114	110.2 Å²	110.2	80%	0.797	59%	0.591	S	S	*	*			trans	-126	124.9	172	57.5	0	0	0	0	106.1	S4	S2-S4 PolarHBondContact O-N 3.2Å
3	D	39.3	Very low	74.8	Confident	162 Å²	162	103 Å²	103	87%	0.866	55%	0.552	S	S	*	*			trans	-35.1	120	-177.9	-69.7	-50.5	0	0	0	112.4	E5	D3-E5 PolarHBondContact O-N 3.4Å
4	S	49.4	Very low	76.4	Confident	109 Å²	109	97.7 Å²	97.7	76%	0.762	53%	0.534	S	S	*	.			trans	-60.5	112.1	160.3	63.2	0	0	0	0	105.9	S2 K6	S2-S4 PolarHBondContact O-N 3.2Å; S4-K6 PolarHBondContact O-N 3.09Å
5	E	56	Low	77.9	Confident	170 Å²	170	95.1 Å²	95.1	79%	0.794	51%	0.513	S	S	*	.			trans	-45.8	115.3	166	-81.9	-179.4	148.3	0	0	107.3	D3 L7	D3-E5 PolarHBondContact O-N 3.4Å; E5-L7 PolarHBondContact O-N 3.35Å
6	K	73.1	Confident	79.2	Confident	197 Å²	197	89.3 Å²	89.3	86%	0.857	48%	0.482	S	S	*	.			trans	-58.5	113.7	-177.1	-170.4	177.4	-178	-179.5	0	106.7	S4 N8	S4-K6 PolarHBondContact O-N 3.09Å; K6-N8 PolarHBondContact O-N 3.38Å
7	L	90	Very high	80.3	Confident	50 Å²	50	86.4 Å²	86.4	26%	0.262	47%	0.466	S	S	.	.			trans	-52.6	110.9	-178.7	-175.3	69.5	0	0	0	109	E5 L9 I12 L38 I112	E5-L7 PolarHBondContact O-N 3.35Å; L7-L9 HydrophobicContact CD2-CD1 4.4Å; L7-L9 PolarHBondContact O-N 3.17Å; L7-I12 HydrophobicContact CD1-CD1 3.54Å; L7-I12 HydrophobicContact CG-CD1 4.07Å; L7-L38 HydrophobicContact CD2-CD2 4.21Å; L7-I112 HydrophobicContact CD2-CD1 4.26Å
8	N	94.9	Very high	81.1	Confident	100 Å²	100	89.4 Å²	89.4	54%	0.535	48%	0.477	S	S	.	.			trans	-80.2	74.2	-179.4	-169.7	-17.6	0	0	0	109.7	K6 D10 S11 I12	K6-N8 PolarHBondContact O-N 3.38Å; N8-D10 VanDerWaalsContact C-N 3.32Å; N8-D10 PolarHBondContact O-N 2.89Å; N8-S11 VanDerWaalsContact CG-CB 3.47Å; N8-S11 WeakPolarHBondContact O-CB 3.19Å; N8-S11 PolarHBondContact O-N 3.28Å; N8-S11 WeakPolarHBondContact OD1-CB 3.47Å; N8-S11 PolarHBondContact OD1-N 2.8Å; N8-I12 WeakPolarHBondContact O-CG1 3.39Å; N8-I12 PolarHBondContact O-N 3.28Å; N8-I12 VanDerWaalsContact O-N 3.1Å
9	L	97.4	Very high	81.8	Confident	22 Å²	22	85 Å²	85	12%	0.115	45%	0.453	C	S	.	.	H	α-helix	trans	-60.1	-39.7	-170.9	-171.1	63.7	0	0	0	112.7	L7 S11 I12 I13 L38 A109 I112 K113	L7-L9 HydrophobicContact CD2-CD1 4.4Å; L7-L9 PolarHBondContact O-N 3.17Å; L9-S11 VanDerWaalsContact C-N 3.35Å; L9-S11 PolarHBondContact O-N 3.32Å; L9-I12 PolarHBondContact O-N 3.36Å; L9-I13 HydrophobicContact CD1-CD1 4.47Å; L9-I13 HydrophobicContact CG-CD1 4.03Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 2.94Å; L9-L38 HydrophobicContact CD1-CD2 3.82Å; L9-A109 HydrophobicContact CD1-CB 3.86Å; L9-I112 HydrophobicContact CD1-CB 4.3Å; L9-I112 HydrophobicContact CD1-CD1 4.41Å; L9-I112 HydrophobicContact CD1-CG2 4.42Å; L9-I112 HydrophobicContact CD2-CB 3.9Å; L9-I112 HydrophobicContact CD2-CG2 3.6Å; L9-K113 HydrophobicContact CD2-CB 3.74Å; L9-K113 HydrophobicContact CD2-CD 3.99Å; L9-K113 HydrophobicContact CD2-CG 4.45Å
10	D	97.8	Very high	82.2	Confident	96 Å²	96	84.1 Å²	84.1	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-66.8	-37.5	-179.5	-65.7	-22	0	0	0	111.7	N8 G14 K113	N8-D10 VanDerWaalsContact C-N 3.32Å; N8-D10 PolarHBondContact O-N 2.89Å; D10-G14 PolarHBondContact O-N 2.77Å; D10-K113 WeakPolarHBondContact OD1-CE 3.16Å; D10-K113 IonicContact OD1-NZ 2.76Å; D10-K113 PolarHBondContact OD1-NZ 2.68Å; D10-K113 IonicContact OD2-NZ 3.03Å; D10-K113 PolarHBondContact OD2-NZ 2.67Å
11	S	97.9	Very high	82.4	Confident	50 Å²	50	83.3 Å²	83.3	35%	0.35	46%	0.459	S	S	.	.	H	α-helix	trans	-66.1	-37.7	172.5	171.9	0	0	0	0	112.7	N8 L9 R15	N8-S11 VanDerWaalsContact CG-CB 3.47Å; N8-S11 WeakPolarHBondContact O-CB 3.19Å; N8-S11 PolarHBondContact O-N 3.28Å; N8-S11 WeakPolarHBondContact OD1-CB 3.47Å; N8-S11 PolarHBondContact OD1-N 2.8Å; L9-S11 VanDerWaalsContact C-N 3.35Å; L9-S11 PolarHBondContact O-N 3.32Å; S11-R15 PolarHBondContact O-N 3.22Å; S11-R15 VanDerWaalsContact O-N 3.12Å; S11-R15 PolarHBondContact O-NE 3.39Å; S11-R15 PolarHBondContact OG-NH2 2.88Å
12	I	98.6	Very high	84.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-65.4	-49.6	176.3	-68.9	167.7	0	0	0	110.2	L7 N8 L9 G14 R15 L16 L30 E34 L38	L7-I12 HydrophobicContact CD1-CD1 3.54Å; L7-I12 HydrophobicContact CG-CD1 4.07Å; N8-I12 WeakPolarHBondContact O-CG1 3.39Å; N8-I12 PolarHBondContact O-N 3.28Å; N8-I12 VanDerWaalsContact O-N 3.1Å; L9-I12 PolarHBondContact O-N 3.36Å; I12-G14 PolarHBondContact O-N 3.49Å; I12-R15 PolarHBondContact O-N 3.28Å; I12-L16 HydrophobicContact CG2-CD1 3.79Å; I12-L16 WeakPolarHBondContact O-CB 3.38Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.23Å; I12-L30 HydrophobicContact CG1-CD2 4.48Å; I12-L30 HydrophobicContact CG2-CD1 4Å; I12-L30 HydrophobicContact CG2-CD2 4.06Å; I12-E34 HydrophobicContact CD1-CB 3.94Å; I12-E34 HydrophobicContact CD1-CG 4.05Å; I12-E34 HydrophobicContact CG1-CB 4.41Å; I12-E34 HydrophobicContact CG1-CG 4.34Å; I12-L38 HydrophobicContact CD1-CD2 4.42Å; I12-L38 HydrophobicContact CG2-CD1 4.13Å; I12-L38 HydrophobicContact CG2-CD2 4.38Å
13	I	98.6	Very high	87.4	Confident	17 Å²	17	77.7 Å²	77.7	9%	0.087	41%	0.41	C	S	.	.	H	α-helix	trans	-60.8	-46.5	178	-66.9	170.6	0	0	0	110.2	L9 R15 L16 L17 A109 Y110 K113	L9-I13 HydrophobicContact CD1-CD1 4.47Å; L9-I13 HydrophobicContact CG-CD1 4.03Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 2.94Å; I13-R15 PolarHBondContact O-N 2.98Å; I13-L16 PolarHBondContact O-N 3.19Å; I13-L16 VanDerWaalsContact O-N 3.16Å; I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 2.88Å; I13-A109 HydrophobicContact CD1-CB 4.24Å; I13-A109 HydrophobicContact CG1-CB 3.69Å; I13-Y110 HydrophobicContact CD1-CD1 4.35Å; I13-Y110 HydrophobicContact CD1-CE1 4.48Å; I13-Y110 HydrophobicContact CG2-CE1 4.14Å; I13-K113 HydrophobicContact CD1-CB 3.99Å; I13-K113 HydrophobicContact CD1-CG 4.16Å
14	G	98.2	Very high	90	Very high	29 Å²	29	72.3 Å²	72.3	30%	0.299	38%	0.384	S	S	.	.	H	α-helix	trans	-53.2	-53.6	177.1	0	0	0	0	0	112.4	D10 I12 L16 L17 E18	D10-G14 PolarHBondContact O-N 2.77Å; I12-G14 PolarHBondContact O-N 3.49Å; G14-L16 VanDerWaalsContact C-N 3.31Å; G14-L16 PolarHBondContact O-N 3.11Å; G14-L17 PolarHBondContact O-N 2.95Å; G14-L17 VanDerWaalsContact O-N 3.12Å; G14-E18 VanDerWaalsContact O-CG 3.28Å; G14-E18 WeakPolarHBondContact O-CG 3.24Å; G14-E18 PolarHBondContact O-N 3Å
15	R	98.3	Very high	92	Very high	59 Å²	59	69.2 Å²	69.2	22%	0.223	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-36.2	177.8	-79.7	-179.1	-70.6	160.3	-6.9	113.7	S11 I12 I13 L17 V28 Q29 E34	S11-R15 PolarHBondContact O-N 3.22Å; S11-R15 VanDerWaalsContact O-N 3.12Å; S11-R15 PolarHBondContact O-NE 3.39Å; S11-R15 PolarHBondContact OG-NH2 2.88Å; I12-R15 PolarHBondContact O-N 3.28Å; I13-R15 PolarHBondContact O-N 2.98Å; R15-L17 VanDerWaalsContact C-N 3.34Å; R15-V28 HydrophobicContact CB-CG1 4.12Å; R15-V28 WeakPolarHBondContact O-CG1 3.44Å; R15-Q29 PolarHBondContact NH1-O 2.81Å; R15-E34 IonicContact CZ-OE1 3.74Å; R15-E34 IonicContact CZ-OE2 3.47Å; R15-E34 IonicContact NH1-OE1 3.04Å; R15-E34 PolarHBondContact NH1-OE1 2.81Å; R15-E34 IonicContact NH1-OE2 3.33Å; R15-E34 PolarHBondContact NH1-OE2 3.28Å; R15-E34 VanDerWaalsContact NH2-CD 3.33Å; R15-E34 IonicContact NH2-OE1 3.51Å; R15-E34 PolarHBondContact NH2-OE1 3.38Å; R15-E34 IonicContact NH2-OE2 3.22Å
16	L	98.4	Very high	93.9	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-40.3	176.1	-76.9	165	0	0	0	111	I12 I13 G14 V19 V28 L30 Y69 E102 C105 L106	I12-L16 HydrophobicContact CG2-CD1 3.79Å; I12-L16 WeakPolarHBondContact O-CB 3.38Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.23Å; I13-L16 PolarHBondContact O-N 3.19Å; I13-L16 VanDerWaalsContact O-N 3.16Å; G14-L16 VanDerWaalsContact C-N 3.31Å; G14-L16 PolarHBondContact O-N 3.11Å; L16-V19 WeakPolarHBondContact O-CG2 3.47Å; L16-V28 HydrophobicContact CD2-CB 4.11Å; L16-V28 HydrophobicContact CD2-CG1 4Å; L16-V28 HydrophobicContact CD2-CG2 4.31Å; L16-V28 HydrophobicContact CG-CG1 4.31Å; L16-L30 HydrophobicContact CD1-CD1 4.25Å; L16-L30 HydrophobicContact CD2-CD1 4.21Å; L16-L30 HydrophobicContact CG-CD1 4.33Å; L16-Y69 WeakPolarHBondContact CB-OH 3.04Å; L16-Y69 PolarHBondContact O-OH 3.05Å; L16-E102 HydrophobicContact CD2-CB 4.41Å; L16-E102 HydrophobicContact CD2-CG 4.43Å; L16-C105 HydrophobicContact CD1-CB 4.21Å; L16-C105 HydrophobicContact CD2-CB 4.36Å; L16-L106 HydrophobicContact CB-CD1 4.05Å; L16-L106 HydrophobicContact CD1-CB 4.1Å; L16-L106 HydrophobicContact CD1-CD1 4.18Å
17	L	98.1	Very high	95	Very high	41 Å²	41	60.1 Å²	60.1	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-81.8	-24.4	-178.6	-62.3	178.6	0	0	0	114	I13 G14 R15 V19 Q20 L73 F81 L106 Y110	I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 2.88Å; G14-L17 PolarHBondContact O-N 2.95Å; G14-L17 VanDerWaalsContact O-N 3.12Å; R15-L17 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 3.35Å; L17-Q20 WeakPolarHBondContact O-CB 3.37Å; L17-Q20 PolarHBondContact O-N 2.9Å; L17-L73 HydrophobicContact CD2-CD2 3.73Å; L17-F81 HydrophobicContact CD2-CD1 4.23Å; L17-F81 HydrophobicContact CD2-CE1 3.71Å; L17-L106 HydrophobicContact CD2-CD1 4.14Å; L17-L106 HydrophobicContact CD2-CD2 4.06Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.24Å
18	E	95.6	Very high	95.4	Very high	141 Å²	141	58.1 Å²	58.1	66%	0.659	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-20.9	180	-85	168.6	-150.3	0	0	114.2	G14	G14-E18 VanDerWaalsContact O-CG 3.28Å; G14-E18 WeakPolarHBondContact O-CG 3.24Å; G14-E18 PolarHBondContact O-N 3Å
19	V	94.7	Very high	95.3	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.03	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.1	179.1	-55.4	0	0	0	0	114.3	L16 L17 G21 S22 K26 V28 Y69 Y70 L73	L16-V19 WeakPolarHBondContact O-CG2 3.47Å; L17-V19 PolarHBondContact O-N 3.35Å; V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 2.83Å; V19-S22 WeakPolarHBondContact O-CA 3.24Å; V19-S22 VanDerWaalsContact O-CB 3.24Å; V19-S22 WeakPolarHBondContact O-CB 3.17Å; V19-S22 PolarHBondContact O-N 2.81Å; V19-K26 HydrophobicContact CG1-CD 4.01Å; V19-K26 HydrophobicContact CG1-CG 4.31Å; V19-V28 HydrophobicContact CB-CG2 4.44Å; V19-V28 HydrophobicContact CG1-CG2 3.67Å; V19-V28 HydrophobicContact CG2-CG2 3.87Å; V19-Y69 HydrophobicContact CG2-CD1 4.43Å; V19-Y69 HydrophobicContact CG2-CE1 3.65Å; V19-Y70 WeakPolarHBondContact O-CE1 3.41Å; V19-L73 HydrophobicContact CG2-CD1 4.25Å
20	Q	89.1	Confident	95.3	Very high	66 Å²	66	59.2 Å²	59.2	31%	0.308	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.5	-179.1	-173.4	-176.8	-1.7	0	0	113	L17 L73 E77	L17-Q20 WeakPolarHBondContact O-CB 3.37Å; L17-Q20 PolarHBondContact O-N 2.9Å; Q20-L73 HydrophobicContact CB-CD1 4.21Å; Q20-E77 PolarHBondContact NE2-OE2 3.32Å
21	G	86.4	Confident	95.3	Very high	69 Å²	69	58.3 Å²	58.3	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	1.5	175.5	0	0	0	0	0	114.8	V19	V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 2.83Å
22	S	92.6	Very high	95.4	Very high	26 Å²	26	59.1 Å²	59.1	18%	0.182	32%	0.318	C	S	.	.	S	Bend	trans	-85.6	166.3	178.8	-64.3	0	0	0	0	111.4	V19 K26	V19-S22 WeakPolarHBondContact O-CA 3.24Å; V19-S22 VanDerWaalsContact O-CB 3.24Å; V19-S22 WeakPolarHBondContact O-CB 3.17Å; V19-S22 PolarHBondContact O-N 2.81Å; S22-K26 WeakPolarHBondContact OG-CD 3.46Å; S22-K26 PolarHBondContact OG-NZ 3.43Å
23	R	91.5	Very high	95.3	Very high	221 Å²	221	63.9 Å²	63.9	83%	0.834	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-58	129.8	171.9	-177.7	-179.4	177.2	-177.8	0.4	110.1	G25 K26 Y70	R23-G25 PolarHBondContact O-N 3.06Å; R23-K26 PolarHBondContact O-N 3.29Å; R23-Y70 PolarHBondContact O-OH 3.12Å
24	P	92.5	Very high	95.3	Very high	50 Å²	50	65 Å²	65	33%	0.325	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	135.8	174.3	-29.1	35	0	0	0	113.1	Y70 Y306	P24-Y70 HydrophobicContact CB-CD1 4.02Å; P24-Y70 HydrophobicContact CB-CD2 4.27Å; P24-Y70 HydrophobicContact CB-CE1 4.36Å; P24-Y70 HydrophobicContact CB-CG 3.96Å; P24-Y70 HydrophobicContact CG-CD1 4.05Å; P24-Y70 HydrophobicContact CG-CE1 4.42Å; P24-Y70 HydrophobicContact CG-CG 4.41Å; P24-Y306 HydrophobicContact CG-CD1 3.82Å; P24-Y306 HydrophobicContact CG-CD2 3.59Å; P24-Y306 HydrophobicContact CG-CE1 3.82Å; P24-Y306 HydrophobicContact CG-CE2 3.62Å; P24-Y306 HydrophobicContact CG-CG 3.69Å
25	G	92	Very high	95.3	Very high	43 Å²	43	63.7 Å²	63.7	44%	0.443	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.2	-3.4	-174.3	0	0	0	0	0	115.2	R23 N27 Q99	R23-G25 PolarHBondContact O-N 3.06Å; G25-N27 PolarHBondContact O-N 2.89Å; G25-Q99 VanDerWaalsContact CA-OE1 3.27Å
26	K	95.9	Very high	95.4	Very high	112 Å²	112	66 Å²	66	49%	0.487	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-67.8	123.7	171.1	-178	-173.9	174.8	-171.5	0	109.2	V19 S22 R23 Y70 Q99	V19-K26 HydrophobicContact CG1-CD 4.01Å; V19-K26 HydrophobicContact CG1-CG 4.31Å; S22-K26 WeakPolarHBondContact OG-CD 3.46Å; S22-K26 PolarHBondContact OG-NZ 3.43Å; R23-K26 PolarHBondContact O-N 3.29Å; K26-Y70 WeakPolarHBondContact CB-OH 3.47Å; K26-Y70 PolarHBondContact N-OH 2.8Å; K26-Y70 PolarHBondContact O-OH 2.89Å; K26-Q99 PolarHBondContact O-NE2 3.43Å
27	N	96.8	Very high	95.4	Very high	64 Å²	64	66.9 Å²	66.9	34%	0.342	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-75.1	152.5	177.2	-65.9	-16.8	0	0	0	111.8	G25 Q99 E102	G25-N27 PolarHBondContact O-N 2.89Å; N27-Q99 PolarHBondContact OD1-NE2 3.07Å; N27-E102 VanDerWaalsContact CA-OE1 3.26Å; N27-E102 WeakPolarHBondContact CA-OE1 3.49Å; N27-E102 WeakPolarHBondContact CB-OE1 3.26Å
28	V	97.3	Very high	95.4	Very high	9 Å²	9	65 Å²	65	6%	0.055	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-103.3	131.3	170.3	-178.8	0	0	0	0	108.3	R15 L16 V19 L30 Y69 E102 R143	R15-V28 HydrophobicContact CB-CG1 4.12Å; R15-V28 WeakPolarHBondContact O-CG1 3.44Å; L16-V28 HydrophobicContact CD2-CB 4.11Å; L16-V28 HydrophobicContact CD2-CG1 4Å; L16-V28 HydrophobicContact CD2-CG2 4.31Å; L16-V28 HydrophobicContact CG-CG1 4.31Å; V19-V28 HydrophobicContact CB-CG2 4.44Å; V19-V28 HydrophobicContact CG1-CG2 3.67Å; V19-V28 HydrophobicContact CG2-CG2 3.87Å; V28-L30 HydrophobicContact CG1-CD2 4.26Å; V28-L30 HydrophobicContact CG1-CG 4.37Å; V28-L30 PolarHBondContact O-N 3.33Å; V28-Y69 HydrophobicContact CG2-CE1 4.5Å; V28-E102 HydrophobicContact CB-CG 3.95Å; V28-E102 HydrophobicContact CG2-CG 4.02Å; V28-E102 PolarHBondContact N-OE1 3.28Å; V28-R143 PolarHBondContact O-NH2 2.97Å
29	Q	93.7	Very high	95.6	Very high	136 Å²	136	58.3 Å²	58.3	64%	0.636	31%	0.311	S	S	*	.			trans	-95.1	95.3	-179.1	-62.1	-65.3	-5.3	0	0	109.9	R15	R15-Q29 PolarHBondContact NH1-O 2.81Å
30	L	98	Very high	95.7	Very high	9 Å²	9	61.9 Å²	61.9	5%	0.047	33%	0.329	C	S	.	.			trans	-95	146.4	164.5	-57.9	-177.6	0	0	0	109.1	I12 L16 V28 I35 L38 C105 Y144	I12-L30 HydrophobicContact CG1-CD2 4.48Å; I12-L30 HydrophobicContact CG2-CD1 4Å; I12-L30 HydrophobicContact CG2-CD2 4.06Å; L16-L30 HydrophobicContact CD1-CD1 4.25Å; L16-L30 HydrophobicContact CD2-CD1 4.21Å; L16-L30 HydrophobicContact CG-CD1 4.33Å; V28-L30 HydrophobicContact CG1-CD2 4.26Å; V28-L30 HydrophobicContact CG1-CG 4.37Å; V28-L30 PolarHBondContact O-N 3.33Å; L30-I35 HydrophobicContact CB-CD1 4.11Å; L30-I35 HydrophobicContact CB-CG1 3.81Å; L30-I35 HydrophobicContact CD1-CG1 4.19Å; L30-L38 HydrophobicContact CD1-CD1 4.39Å; L30-C105 HydrophobicContact CD1-CB 3.88Å; L30-Y144 VanDerWaalsContact O-CE1 3.28Å; L30-Y144 WeakPolarHBondContact O-CE1 3.35Å; L30-Y144 PolarHBondContact O-OH 3.33Å
31	T	98.3	Very high	96.2	Very high	76 Å²	76	63.1 Å²	63.1	47%	0.466	33%	0.334	S	S	.	.			trans	-72.9	156.1	173.1	68.4	0	0	0	0	110.5	N33 E34 I35	T31-N33 PolarHBondContact O-N 2.7Å; T31-E34 PolarHBondContact N-OE2 3.01Å; T31-E34 PolarHBondContact O-N 2.87Å; T31-E34 WeakPolarHBondContact OG1-CB 3.32Å; T31-E34 WeakPolarHBondContact OG1-CG 3.23Å; T31-E34 PolarHBondContact OG1-N 2.8Å; T31-E34 PolarHBondContact OG1-OE2 3.16Å; T31-I35 PolarHBondContact O-N 2.83Å; T31-I35 VanDerWaalsContact O-N 3.14Å
32	E	98.2	Very high	96.8	Very high	68 Å²	68	59.8 Å²	59.8	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-56.7	-38.9	176.1	-177.8	-179.6	166.1	0	0	112.2	I35 R36 Y144 N145 L148	E32-I35 PolarHBondContact O-N 3.27Å; E32-R36 VanDerWaalsContact O-CB 3.3Å; E32-R36 WeakPolarHBondContact O-CB 3.45Å; E32-R36 PolarHBondContact O-N 2.9Å; E32-Y144 HydrophobicContact CB-CD1 4.2Å; E32-N145 PolarHBondContact OE1-ND2 3.46Å; E32-N145 PolarHBondContact OE2-ND2 3.08Å; E32-L148 HydrophobicContact CG-CD1 4.26Å
33	N	97.8	Very high	97.1	Very high	100 Å²	100	62.1 Å²	62.1	54%	0.535	30%	0.304	S	S	.	.	H	α-helix	trans	-67.4	-37.4	179.1	-74.8	-20.6	0	0	0	112.4	T31 R36 G37	T31-N33 PolarHBondContact O-N 2.7Å; N33-R36 PolarHBondContact O-N 2.88Å; N33-G37 PolarHBondContact O-N 2.81Å
34	E	98.5	Very high	97.4	Very high	40 Å²	40	56.4 Å²	56.4	19%	0.187	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-47.8	174.5	-74.5	168.4	147.7	0	0	111	I12 R15 T31 R36 G37 L38	I12-E34 HydrophobicContact CD1-CB 3.94Å; I12-E34 HydrophobicContact CD1-CG 4.05Å; I12-E34 HydrophobicContact CG1-CB 4.41Å; I12-E34 HydrophobicContact CG1-CG 4.34Å; R15-E34 IonicContact CZ-OE1 3.74Å; R15-E34 IonicContact CZ-OE2 3.47Å; R15-E34 IonicContact NH1-OE1 3.04Å; R15-E34 PolarHBondContact NH1-OE1 2.81Å; R15-E34 IonicContact NH1-OE2 3.33Å; R15-E34 PolarHBondContact NH1-OE2 3.28Å; R15-E34 VanDerWaalsContact NH2-CD 3.33Å; R15-E34 IonicContact NH2-OE1 3.51Å; R15-E34 PolarHBondContact NH2-OE1 3.38Å; R15-E34 IonicContact NH2-OE2 3.22Å; T31-E34 PolarHBondContact N-OE2 3.01Å; T31-E34 PolarHBondContact O-N 2.87Å; T31-E34 WeakPolarHBondContact OG1-CB 3.32Å; T31-E34 WeakPolarHBondContact OG1-CG 3.23Å; T31-E34 PolarHBondContact OG1-N 2.8Å; T31-E34 PolarHBondContact OG1-OE2 3.16Å; E34-R36 PolarHBondContact O-N 3.2Å; E34-G37 WeakPolarHBondContact O-CA 3.46Å; E34-G37 PolarHBondContact O-N 2.93Å; E34-G37 VanDerWaalsContact O-N 3.15Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 2.84Å
35	I	98.8	Very high	97.7	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-44.2	178.7	-59.7	175.2	0	0	0	110.7	L30 T31 E32 G37 L38 C39 Y144 L148 F152	L30-I35 HydrophobicContact CB-CD1 4.11Å; L30-I35 HydrophobicContact CB-CG1 3.81Å; L30-I35 HydrophobicContact CD1-CG1 4.19Å; T31-I35 PolarHBondContact O-N 2.83Å; T31-I35 VanDerWaalsContact O-N 3.14Å; E32-I35 PolarHBondContact O-N 3.27Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 2.97Å; I35-L38 WeakPolarHBondContact O-CB 3.35Å; I35-L38 PolarHBondContact O-N 3.38Å; I35-C39 PolarHBondContact O-N 3Å; I35-C39 PolarHBondContact O-SG 3.11Å; I35-C39 VanDerWaalsContact O-SG 3.39Å; I35-Y144 HydrophobicContact CD1-CD1 4.46Å; I35-Y144 HydrophobicContact CD1-CD2 4.32Å; I35-Y144 HydrophobicContact CD1-CE1 3.8Å; I35-Y144 HydrophobicContact CD1-CE2 3.66Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.4Å; I35-L148 HydrophobicContact CB-CD1 4.13Å; I35-L148 HydrophobicContact CB-CD2 4.37Å; I35-L148 HydrophobicContact CD1-CD2 4.08Å; I35-L148 HydrophobicContact CG2-CD1 3.83Å; I35-L148 HydrophobicContact CG2-CD2 4.1Å; I35-L148 HydrophobicContact CG2-CG 4.29Å; I35-F152 HydrophobicContact CG2-CE1 4.16Å; I35-F152 HydrophobicContact CG2-CE2 3.61Å; I35-F152 HydrophobicContact CG2-CZ 3.25Å
36	R	98.6	Very high	98.1	Very high	109 Å²	109	53 Å²	53	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-58.9	-40.7	174.3	-178.9	176.8	177.4	-146.8	-5.8	111.4	E32 N33 E34 C39 L40 T151	E32-R36 VanDerWaalsContact O-CB 3.3Å; E32-R36 WeakPolarHBondContact O-CB 3.45Å; E32-R36 PolarHBondContact O-N 2.9Å; N33-R36 PolarHBondContact O-N 2.88Å; E34-R36 PolarHBondContact O-N 3.2Å; R36-C39 PolarHBondContact O-N 3.04Å; R36-L40 HydrophobicContact CG-CD1 3.96Å; R36-L40 HydrophobicContact CG-CG 4.33Å; R36-L40 WeakPolarHBondContact O-CB 3.38Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.42Å; R36-L40 PolarHBondContact O-N 3.44Å; R36-T151 HydrophobicContact CG-CG2 4.12Å
37	G	98.5	Very high	98.2	Very high	19 Å²	19	50.8 Å²	50.8	20%	0.196	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-42	175.7	0	0	0	0	0	112.8	N33 E34 I35 K41	N33-G37 PolarHBondContact O-N 2.81Å; E34-G37 WeakPolarHBondContact O-CA 3.46Å; E34-G37 PolarHBondContact O-N 2.93Å; E34-G37 VanDerWaalsContact O-N 3.15Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 2.97Å; G37-K41 VanDerWaalsContact O-CB 3.31Å; G37-K41 WeakPolarHBondContact O-CB 3.33Å; G37-K41 PolarHBondContact O-N 2.92Å
38	L	98.8	Very high	98.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-55.5	172	-67.3	173.5	0	0	0	110.5	L7 L9 I12 L30 E34 I35 L40 K41 S42 C105 L108 A109 I112	L7-L38 HydrophobicContact CD2-CD2 4.21Å; L9-L38 HydrophobicContact CD1-CD2 3.82Å; I12-L38 HydrophobicContact CD1-CD2 4.42Å; I12-L38 HydrophobicContact CG2-CD1 4.13Å; I12-L38 HydrophobicContact CG2-CD2 4.38Å; L30-L38 HydrophobicContact CD1-CD1 4.39Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 2.84Å; I35-L38 WeakPolarHBondContact O-CB 3.35Å; I35-L38 PolarHBondContact O-N 3.38Å; L38-L40 PolarHBondContact O-N 2.94Å; L38-K41 PolarHBondContact O-N 2.81Å; L38-S42 WeakPolarHBondContact O-CB 3.32Å; L38-S42 PolarHBondContact O-N 3.17Å; L38-S42 PolarHBondContact O-OG 2.91Å; L38-C105 HydrophobicContact CD1-CB 3.84Å; L38-L108 HydrophobicContact CB-CB 4.37Å; L38-A109 HydrophobicContact CD2-CB 3.82Å; L38-I112 HydrophobicContact CB-CD1 4.37Å; L38-I112 HydrophobicContact CD2-CD1 3.72Å
39	C	98.9	Very high	98.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-45.6	-178.8	-65.3	0	0	0	0	112.9	I35 R36 S42 R43 T151 F152 C155	I35-C39 PolarHBondContact O-N 3Å; I35-C39 PolarHBondContact O-SG 3.11Å; I35-C39 VanDerWaalsContact O-SG 3.39Å; R36-C39 PolarHBondContact O-N 3.04Å; C39-S42 PolarHBondContact O-OG 3.2Å; C39-R43 WeakPolarHBondContact O-CB 3.13Å; C39-R43 PolarHBondContact O-N 3.39Å; C39-T151 HydrophobicContact CB-CG2 3.73Å; C39-F152 WeakPolarHBondContact SG-CD1 3.08Å; C39-F152 WeakPolarHBondContact SG-CE1 3.45Å; C39-C155 HydrophobicContact CB-CB 4.06Å
40	L	98.7	Very high	98.6	Very high	81 Å²	81	50 Å²	50	42%	0.424	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-44.3	-179.3	-70.1	175.1	0	0	0	111.4	R36 L38 R43 E44	R36-L40 HydrophobicContact CG-CD1 3.96Å; R36-L40 HydrophobicContact CG-CG 4.33Å; R36-L40 WeakPolarHBondContact O-CB 3.38Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.42Å; R36-L40 PolarHBondContact O-N 3.44Å; L38-L40 PolarHBondContact O-N 2.94Å; L40-R43 PolarHBondContact O-N 2.99Å; L40-E44 WeakPolarHBondContact O-CG 3.42Å; L40-E44 PolarHBondContact O-N 2.6Å; L40-E44 VanDerWaalsContact O-N 3.16Å
41	K	98.8	Very high	98.7	Very high	91 Å²	91	50 Å²	50	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-73.4	-40.9	-177	-169	69.4	-162.2	161.8	0	112.6	G37 L38 R43 E44 I45 I112	G37-K41 VanDerWaalsContact O-CB 3.31Å; G37-K41 WeakPolarHBondContact O-CB 3.33Å; G37-K41 PolarHBondContact O-N 2.92Å; L38-K41 PolarHBondContact O-N 2.81Å; K41-R43 VanDerWaalsContact C-N 3.32Å; K41-E44 IonicContact NZ-OE2 2.75Å; K41-E44 PolarHBondContact NZ-OE2 2.97Å; K41-E44 WeakPolarHBondContact O-CB 3.29Å; K41-E44 PolarHBondContact O-N 3.14Å; K41-I45 WeakPolarHBondContact O-CG1 3.38Å; K41-I45 PolarHBondContact O-N 3.09Å; K41-I112 HydrophobicContact CB-CD1 3.92Å; K41-I112 HydrophobicContact CB-CG1 4.17Å; K41-I112 HydrophobicContact CG-CD1 4.27Å; K41-I112 HydrophobicContact CG-CG1 4.08Å; K41-I112 HydrophobicContact CG-CG2 3.73Å
42	S	98.8	Very high	98.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-38.8	174.2	60.6	0	0	0	0	111.4	L38 C39 E44 I45 F46 C155	L38-S42 WeakPolarHBondContact O-CB 3.32Å; L38-S42 PolarHBondContact O-N 3.17Å; L38-S42 PolarHBondContact O-OG 2.91Å; C39-S42 PolarHBondContact O-OG 3.2Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact O-N 2.85Å; S42-I45 WeakPolarHBondContact O-CB 3.26Å; S42-I45 PolarHBondContact O-N 2.88Å; S42-I45 VanDerWaalsContact O-N 3.11Å; S42-F46 WeakPolarHBondContact O-CD2 3.4Å; S42-F46 VanDerWaalsContact O-CG 3.27Å; S42-F46 WeakPolarHBondContact O-CG 3.25Å; S42-F46 PolarHBondContact O-N 2.78Å; S42-C155 PolarHBondContact OG-SG 2.91Å
43	R	98.9	Very high	98.7	Very high	74 Å²	74	43.5 Å²	43.5	28%	0.279	23%	0.225	S	C	.	.	H	α-helix	trans	-57.9	-43.7	174.7	-178.9	-178.2	176.5	-77.7	-3.4	112.5	C39 L40 K41 I45 F46 L47 D154 C158	C39-R43 WeakPolarHBondContact O-CB 3.13Å; C39-R43 PolarHBondContact O-N 3.39Å; L40-R43 PolarHBondContact O-N 2.99Å; K41-R43 VanDerWaalsContact C-N 3.32Å; R43-I45 VanDerWaalsContact C-N 3.32Å; R43-I45 PolarHBondContact O-N 3.02Å; R43-F46 PolarHBondContact O-N 3.08Å; R43-L47 HydrophobicContact CG-CD1 4.28Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 3.36Å; R43-D154 WeakPolarHBondContact CD-O 3.41Å; R43-D154 PolarHBondContact NE-O 2.83Å; R43-C158 HydrophobicContact CG-CB 3.95Å; R43-C158 PolarHBondContact NE-SG 3.34Å
44	E	98.8	Very high	98.8	Very high	102 Å²	102	43.4 Å²	43.4	48%	0.477	22%	0.221	S	C	.	.	H	α-helix	trans	-57.1	-46.5	173.6	-72.3	171.6	-169.3	0	0	111.3	L40 K41 S42 L47 S48	L40-E44 WeakPolarHBondContact O-CG 3.42Å; L40-E44 PolarHBondContact O-N 2.6Å; L40-E44 VanDerWaalsContact O-N 3.16Å; K41-E44 IonicContact NZ-OE2 2.75Å; K41-E44 PolarHBondContact NZ-OE2 2.97Å; K41-E44 WeakPolarHBondContact O-CB 3.29Å; K41-E44 PolarHBondContact O-N 3.14Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact O-N 2.85Å; E44-L47 PolarHBondContact O-N 3.25Å; E44-S48 PolarHBondContact O-N 3.05Å; E44-S48 PolarHBondContact O-OG 3.38Å
45	I	98.9	Very high	98.8	Very high	20 Å²	20	42.2 Å²	42.2	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-44.6	-179.6	-63.5	166.3	0	0	0	111.1	K41 S42 R43 L47 S48 Q49 K111 I112 P115	K41-I45 WeakPolarHBondContact O-CG1 3.38Å; K41-I45 PolarHBondContact O-N 3.09Å; S42-I45 WeakPolarHBondContact O-CB 3.26Å; S42-I45 PolarHBondContact O-N 2.88Å; S42-I45 VanDerWaalsContact O-N 3.11Å; R43-I45 VanDerWaalsContact C-N 3.32Å; R43-I45 PolarHBondContact O-N 3.02Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 2.82Å; I45-S48 WeakPolarHBondContact CA-OG 3.35Å; I45-S48 PolarHBondContact O-N 3.02Å; I45-S48 VanDerWaalsContact O-N 3.16Å; I45-S48 PolarHBondContact O-OG 2.85Å; I45-Q49 PolarHBondContact O-N 2.92Å; I45-K111 HydrophobicContact CG2-CD 4.45Å; I45-K111 HydrophobicContact CG2-CG 4.48Å; I45-I112 HydrophobicContact CD1-CB 4.21Å; I45-I112 HydrophobicContact CD1-CG1 4.04Å; I45-I112 HydrophobicContact CD1-CG2 4.33Å; I45-P115 HydrophobicContact CD1-CB 4.5Å; I45-P115 HydrophobicContact CG2-CB 3.94Å
46	F	98.9	Very high	98.8	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-39.9	178.2	-61.7	-48.7	0	0	0	111.8	S42 R43 S48 Q49 L108 K111 L120 C158 L159 R191	S42-F46 WeakPolarHBondContact O-CD2 3.4Å; S42-F46 VanDerWaalsContact O-CG 3.27Å; S42-F46 WeakPolarHBondContact O-CG 3.25Å; S42-F46 PolarHBondContact O-N 2.78Å; R43-F46 PolarHBondContact O-N 3.08Å; F46-S48 VanDerWaalsContact C-N 3.34Å; F46-Q49 PolarHBondContact O-N 2.99Å; F46-L108 HydrophobicContact CE2-CD2 3.89Å; F46-L108 HydrophobicContact CZ-CD2 3.87Å; F46-K111 HydrophobicContact CD1-CG 4.43Å; F46-K111 HydrophobicContact CE1-CD 4.01Å; F46-K111 HydrophobicContact CE1-CG 3.65Å; F46-K111 HydrophobicContact CZ-CG 3.94Å; F46-L120 HydrophobicContact CE1-CB 4.3Å; F46-L120 HydrophobicContact CZ-CB 4.46Å; F46-L120 HydrophobicContact CZ-CD1 4.15Å; F46-C158 HydrophobicContact CB-CB 4.26Å; F46-C158 VanDerWaalsContact CB-O 3.23Å; F46-C158 WeakPolarHBondContact CB-O 3.07Å; F46-L159 HydrophobicContact CD1-CD2 4.17Å; F46-L159 HydrophobicContact CD2-CD2 4.09Å; F46-L159 HydrophobicContact CE1-CD2 3.67Å; F46-L159 HydrophobicContact CE2-CD2 3.61Å; F46-L159 HydrophobicContact CE2-CG 4.36Å; F46-L159 HydrophobicContact CG-CD2 4.38Å; F46-L159 HydrophobicContact CZ-CD2 3.38Å; F46-R191 VanDerWaalsContact O-CZ 3.29Å; F46-R191 PolarHBondContact O-NH1 3.45Å; F46-R191 PolarHBondContact O-NH2 2.72Å; F46-R191 VanDerWaalsContact O-NH2 3.11Å
47	L	98.8	Very high	98.7	Very high	65 Å²	65	45.2 Å²	45.2	34%	0.34	24%	0.237	S	C	.	.	H	α-helix	trans	-71.4	-27.5	176.8	-74	173.7	0	0	0	113.1	R43 E44 I45 C158 R191	R43-L47 HydrophobicContact CG-CD1 4.28Å; R43-L47 WeakPolarHBondContact O-CG 3.49Å; R43-L47 PolarHBondContact O-N 3.36Å; E44-L47 PolarHBondContact O-N 3.25Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 2.82Å; L47-C158 HydrophobicContact CD2-CB 4.17Å; L47-C158 HydrophobicContact CG-CB 4.06Å; L47-R191 HydrophobicContact CD2-CB 3.76Å
48	S	98.8	Very high	98.7	Very high	96 Å²	96	47.1 Å²	47.1	67%	0.671	25%	0.246	S	C	*	.	H	α-helix	trans	-77.8	-24.2	174.3	62.8	0	0	0	0	113.6	E44 I45 F46	E44-S48 PolarHBondContact O-N 3.05Å; E44-S48 PolarHBondContact O-OG 3.38Å; I45-S48 WeakPolarHBondContact CA-OG 3.35Å; I45-S48 PolarHBondContact O-N 3.02Å; I45-S48 VanDerWaalsContact O-N 3.16Å; I45-S48 PolarHBondContact O-OG 2.85Å; F46-S48 VanDerWaalsContact C-N 3.34Å
49	Q	98.8	Very high	98.7	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.079	25%	0.248	C	C	.	.	S	Bend	trans	-92.1	154.7	176.5	-70.8	-178.8	-17.7	0	0	111.2	I45 F46 L53 K111 P115 E116 R191	I45-Q49 PolarHBondContact O-N 2.92Å; F46-Q49 PolarHBondContact O-N 2.99Å; Q49-L53 HydrophobicContact CB-CD2 4.29Å; Q49-K111 VanDerWaalsContact OE1-CE 3.3Å; Q49-P115 PolarHBondContact NE2-O 3.22Å; Q49-E116 PolarHBondContact NE2-OE1 2.98Å; Q49-R191 PolarHBondContact O-NH2 3.03Å
50	P	98.8	Very high	98.7	Very high	80 Å²	80	48.6 Å²	48.6	52%	0.519	25%	0.253	S	S	.	.			trans	-57.2	153.4	176.2	-27	37.2	0	0	0	113.5	L52 L53	P50-L52 WeakPolarHBondContact CB-O 3.34Å; P50-L53 WeakPolarHBondContact O-CD2 3.38Å
51	I	98.8	Very high	98.7	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.046	23%	0.233	C	C	.	.	S	Bend	trans	-76.8	-29.2	173.4	-165.4	176.4	0	0	0	112.6	P160 I161 I186 I189 R191	I51-P160 CarbonylContact O-C 3.58Å; I51-P160 WeakPolarHBondContact O-CA 3.38Å; I51-P160 VanDerWaalsContact O-CB 3.27Å; I51-P160 WeakPolarHBondContact O-CB 3.37Å; I51-I161 HydrophobicContact CD1-CG1 3.63Å; I51-I161 HydrophobicContact CG1-CB 4.26Å; I51-I161 HydrophobicContact CG1-CG1 3.73Å; I51-I161 PolarHBondContact O-N 3.5Å; I51-I186 WeakPolarHBondContact CG2-O 3.33Å; I51-I189 HydrophobicContact CD1-CB 3.7Å; I51-I189 HydrophobicContact CD1-CG2 3.58Å; I51-I189 WeakPolarHBondContact CD1-O 3.03Å; I51-R191 HydrophobicContact CD1-CG 3.74Å; I51-R191 HydrophobicContact CG1-CG 4.37Å
52	L	98.9	Very high	98.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	104.2	165.2	174.9	61.9	0	0	0	106.3	P50 A162 I164 M183 I186 R187	P50-L52 WeakPolarHBondContact CB-O 3.34Å; L52-A162 WeakPolarHBondContact CA-O 3.28Å; L52-A162 HydrophobicContact CD1-CB 3.66Å; L52-I164 HydrophobicContact CD1-CD1 4.31Å; L52-I164 HydrophobicContact CD1-CG1 4.19Å; L52-I164 HydrophobicContact CD2-CD1 4.23Å; L52-M183 HydrophobicContact CD2-CB 3.81Å; L52-M183 HydrophobicContact CD2-CG 4.4Å; L52-M183 HydrophobicContact CD2-SD 4.46Å; L52-I186 HydrophobicContact CB-CB 4.49Å; L52-I186 HydrophobicContact CB-CG2 4.01Å; L52-R187 HydrophobicContact CB-CG 4Å; L52-R187 HydrophobicContact CD2-CG 3.97Å
53	L	98.9	Very high	98.7	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141	-179.4	-59.4	174	0	0	0	110	Q49 P50 L55 F119 L121 P160 A162 A163 I164	Q49-L53 HydrophobicContact CB-CD2 4.29Å; P50-L53 WeakPolarHBondContact O-CD2 3.38Å; L53-L55 HydrophobicContact CB-CD1 4.38Å; L53-L55 HydrophobicContact CB-CD2 4.04Å; L53-L55 HydrophobicContact CB-CG 4.01Å; L53-L55 HydrophobicContact CD1-CD1 4.47Å; L53-F119 HydrophobicContact CD1-CB 4.02Å; L53-F119 HydrophobicContact CD1-CD1 3.91Å; L53-F119 HydrophobicContact CD1-CG 4.29Å; L53-L121 HydrophobicContact CD1-CD2 3.95Å; L53-P160 HydrophobicContact CD1-CB 4.19Å; L53-P160 HydrophobicContact CD1-CG 3.85Å; L53-P160 HydrophobicContact CD2-CB 4.23Å; L53-P160 HydrophobicContact CD2-CG 4.35Å; L53-P160 HydrophobicContact CG-CB 3.93Å; L53-P160 HydrophobicContact CG-CG 4.11Å; L53-A162 PolarHBondContact N-O 3.16Å; L53-A163 HydrophobicContact CB-CB 3.83Å; L53-A163 HydrophobicContact CD1-CB 4.49Å; L53-A163 CarbonylContact O-C 3.51Å; L53-A163 VanDerWaalsContact O-CA 3.22Å; L53-A163 WeakPolarHBondContact O-CA 3.43Å; L53-I164 PolarHBondContact O-N 3.02Å
54	E	98.8	Very high	98.7	Very high	97 Å²	97	37 Å²	37	45%	0.453	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.1	168.6	-53.6	-70.8	178.1	0	0	105.6	R187	E54-R187 IonicContact OE1-CZ 3.33Å; E54-R187 IonicContact OE1-NE 3.71Å; E54-R187 IonicContact OE1-NH2 2.68Å; E54-R187 PolarHBondContact OE1-NH2 3.39Å
55	L	98.8	Very high	98.7	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.5	-170.1	-56.8	-179.5	0	0	0	110.5	L53 L59 L88 F119 A163 I164 V165 D166	L53-L55 HydrophobicContact CB-CD1 4.38Å; L53-L55 HydrophobicContact CB-CD2 4.04Å; L53-L55 HydrophobicContact CB-CG 4.01Å; L53-L55 HydrophobicContact CD1-CD1 4.47Å; L55-L59 HydrophobicContact CD1-CD1 4.29Å; L55-L88 HydrophobicContact CD1-CB 4.47Å; L55-L88 HydrophobicContact CD1-CD1 3.98Å; L55-L88 HydrophobicContact CD1-CD2 4.11Å; L55-L88 HydrophobicContact CD1-CG 4.42Å; L55-F119 HydrophobicContact CD1-CB 4.36Å; L55-F119 HydrophobicContact CD1-CD2 4.09Å; L55-F119 HydrophobicContact CD1-CG 4.11Å; L55-F119 HydrophobicContact CD2-CD1 3.74Å; L55-F119 HydrophobicContact CD2-CD2 3.9Å; L55-F119 HydrophobicContact CD2-CE1 3.53Å; L55-F119 HydrophobicContact CD2-CE2 3.7Å; L55-F119 HydrophobicContact CD2-CG 3.92Å; L55-F119 HydrophobicContact CD2-CZ 3.51Å; L55-A163 HydrophobicContact CD1-CB 3.86Å; L55-A163 HydrophobicContact CG-CB 4.35Å; L55-I164 PolarHBondContact N-O 3.29Å; L55-V165 HydrophobicContact CB-CG2 4.37Å; L55-V165 CarbonylContact O-C 3.6Å; L55-V165 WeakPolarHBondContact O-CA 3.44Å; L55-D166 PolarHBondContact O-N 2.92Å
56	E	98.4	Very high	98.7	Very high	157 Å²	157	31.5 Å²	31.5	73%	0.734	18%	0.175	S	C	*	.			trans	-118.4	144	177.9	-63.1	177.3	179	0	0	109.8
57	A	97.9	Very high	98.7	Very high	16 Å²	16	31.4 Å²	31.4	13%	0.132	18%	0.175	C	C	.	.	S	Bend	trans	-70.3	157.2	167.5	0	0	0	0	0	110.7	L59 V165 D166 V285 D286	A57-L59 HydrophobicContact CB-CD2 4.26Å; A57-V165 HydrophobicContact CB-CG1 4.48Å; A57-D166 WeakPolarHBondContact CB-OD2 3.17Å; A57-D166 PolarHBondContact N-OD2 3.12Å; A57-V285 HydrophobicContact CB-CG1 4.04Å; A57-D286 VanDerWaalsContact CB-O 3.24Å; A57-D286 WeakPolarHBondContact CB-O 3.14Å
58	P	98.3	Very high	98.7	Very high	59 Å²	59	29.7 Å²	29.7	38%	0.383	17%	0.165	S	C	.	.	S	Bend	cis	-80.3	140.9	5.1	32.8	-33.6	0	0	0	112.6	N86 V285 E287	P58-N86 WeakPolarHBondContact O-CB 2.96Å; P58-N86 PolarHBondContact O-ND2 3.44Å; P58-V285 VanDerWaalsContact CA-O 3.26Å; P58-V285 WeakPolarHBondContact CA-O 3.43Å; P58-E287 HydrophobicContact CG-CG 4.29Å
59	L	98.1	Very high	98.7	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.037	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	160.8	172.2	80.9	164.8	0	0	0	113	L55 A57 I61 N86 L88 V165 V285	L55-L59 HydrophobicContact CD1-CD1 4.29Å; A57-L59 HydrophobicContact CB-CD2 4.26Å; L59-I61 HydrophobicContact CD1-CG1 4.19Å; L59-I61 HydrophobicContact CG-CG1 4.16Å; L59-N86 WeakPolarHBondContact CA-O 3.38Å; L59-N86 HydrophobicContact CB-CB 3.91Å; L59-L88 HydrophobicContact CD1-CB 3.71Å; L59-L88 HydrophobicContact CD1-CD2 4.39Å; L59-V165 HydrophobicContact CD1-CG2 4.05Å; L59-V165 HydrophobicContact CD2-CB 4.41Å; L59-V165 HydrophobicContact CD2-CG1 3.45Å; L59-V165 VanDerWaalsContact CD2-CG1 3.45Å; L59-V165 HydrophobicContact CD2-CG2 4.07Å; L59-V285 HydrophobicContact CD2-CB 3.98Å; L59-V285 HydrophobicContact CD2-CG1 4.49Å; L59-V285 HydrophobicContact CD2-CG2 4.41Å; L59-V285 PolarHBondContact N-O 2.93Å; L59-V285 PolarHBondContact O-N 3.4Å
60	K	98.9	Very high	98.6	Very high	26 Å²	26	25.1 Å²	25.1	11%	0.113	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	174.7	-65.8	176.6	-177.5	-76.1	0	109.6	G79 S85 N86 Y87 L88 M282 M283 S284	K60-G79 WeakPolarHBondContact CD-O 3.23Å; K60-G79 WeakPolarHBondContact CE-O 3.26Å; K60-S85 WeakPolarHBondContact CE-OG 3.38Å; K60-N86 PolarHBondContact N-O 3.42Å; K60-Y87 HydrophobicContact CB-CD1 3.85Å; K60-Y87 HydrophobicContact CB-CE1 3.76Å; K60-Y87 HydrophobicContact CD-CE1 4.09Å; K60-Y87 WeakPolarHBondContact O-CA 3.34Å; K60-L88 PolarHBondContact O-N 3.27Å; K60-M282 HydrophobicContact CB-SD 4.44Å; K60-M282 HydrophobicContact CD-SD 3.94Å; K60-M282 HydrophobicContact CG-SD 4.46Å; K60-M283 CarbonylContact C-O 3.49Å; K60-M283 WeakPolarHBondContact CA-O 3.25Å; K60-S284 PolarHBondContact NZ-OG 3.42Å
61	I	98.9	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.5	-179.5	-47.1	-175.8	0	0	0	109.4	L59 L88 L90 V165 L266 M282 M283 V285	L59-I61 HydrophobicContact CD1-CG1 4.19Å; L59-I61 HydrophobicContact CG-CG1 4.16Å; I61-L88 CarbonylContact C-O 3.49Å; I61-L88 VanDerWaalsContact CA-O 3.25Å; I61-L88 WeakPolarHBondContact CA-O 3.4Å; I61-L88 HydrophobicContact CD1-CD2 4.31Å; I61-L88 HydrophobicContact CG1-CB 4.36Å; I61-L88 HydrophobicContact CG1-CD2 4.41Å; I61-L88 HydrophobicContact CG2-CB 4.49Å; I61-L88 HydrophobicContact CG2-CD2 4.26Å; I61-L88 HydrophobicContact CG2-CG 4.39Å; I61-L90 HydrophobicContact CG2-CD1 3.88Å; I61-L90 HydrophobicContact CG2-CD2 3.8Å; I61-L90 HydrophobicContact CG2-CG 3.76Å; I61-V165 HydrophobicContact CD1-CG2 4.39Å; I61-L266 HydrophobicContact CB-CD1 4.1Å; I61-L266 HydrophobicContact CG2-CD1 3.97Å; I61-L266 WeakPolarHBondContact O-CD1 3.37Å; I61-M282 CarbonylContact O-C 3.49Å; I61-M282 WeakPolarHBondContact O-CA 3.06Å; I61-M283 HydrophobicContact CD1-CE 3.78Å; I61-M283 HydrophobicContact CG1-CE 4.48Å; I61-M283 PolarHBondContact N-O 3.16Å; I61-M283 PolarHBondContact O-N 2.75Å; I61-V285 HydrophobicContact CD1-CG2 4.18Å
62	C	98.9	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.8	-178.3	-55.6	0	0	0	0	110.5	L75 L88 F89 L90	C62-L75 HydrophobicContact CB-CD1 4.39Å; C62-L88 PolarHBondContact N-O 2.83Å; C62-F89 HydrophobicContact CB-CD1 3.55Å; C62-F89 HydrophobicContact CB-CE1 3.59Å; C62-F89 HydrophobicContact CB-CG 4.09Å; C62-F89 HydrophobicContact CB-CZ 4.16Å; C62-F89 CarbonylContact O-C 3.59Å; C62-F89 WeakPolarHBondContact O-CA 3.44Å; C62-L90 WeakPolarHBondContact O-CB 3.31Å; C62-L90 WeakPolarHBondContact O-CG 3.22Å; C62-L90 PolarHBondContact O-N 3.26Å
63	G	98.8	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.			trans	-85.3	-149.2	172.5	0	0	0	0	0	112.5	A247 S268	G63-A247 VanDerWaalsContact CA-CB 3.47Å; G63-S268 PolarHBondContact N-OG 3.19Å
64	D	98.9	Very high	98.4	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-61	143.1	-173.6	-53.2	17.1	0	0	0	112.7	H66 D92 H173 A247 H248 F267 S268 A269	D64-H66 IonicContact OD2-NE2 3.61Å; D64-D92 HydrophobicContact CB-CB 3.98Å; D64-H173 IonicContact OD1-CE1 3.83Å; D64-H173 PolarHBondContact OD1-CE1 2.83Å; D64-H173 VanDerWaalsContact OD1-CE1 3.3Å; D64-H173 IonicContact OD1-ND1 3.82Å; D64-H173 IonicContact OD2-CE1 3.08Å; D64-A247 WeakPolarHBondContact OD1-CB 3.1Å; D64-H248 PolarHBondContact OD1-N 3.11Å; D64-H248 WeakPolarHBondContact OD2-CA 3.4Å; D64-H248 PolarHBondContact OD2-N 3.47Å; D64-F267 HydrophobicContact CB-CD2 3.87Å; D64-F267 HydrophobicContact CB-CE2 3.55Å; D64-F267 HydrophobicContact CB-CZ 4.01Å; D64-F267 WeakPolarHBondContact OD2-CE2 3.39Å; D64-S268 CarbonylContact O-C 3.49Å; D64-S268 VanDerWaalsContact O-C 3.29Å; D64-S268 WeakPolarHBondContact O-CA 3.34Å; D64-S268 WeakPolarHBondContact O-CB 3.37Å; D64-S268 PolarHBondContact O-N 3.04Å; D64-A269 PolarHBondContact O-N 3.31Å
65	I	98.8	Very high	98.3	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.015	10%	0.099	C	C	.	.			trans	-120.2	-35.3	179.4	-56.1	-63.4	0	0	0	112	G67 Q68 L72 L75 F89 D92 T103	I65-G67 PolarHBondContact O-N 2.86Å; I65-Q68 WeakPolarHBondContact O-CB 3.26Å; I65-Q68 PolarHBondContact O-N 2.93Å; I65-L72 HydrophobicContact CD1-CD1 4.19Å; I65-L72 HydrophobicContact CG1-CD1 4.49Å; I65-L72 HydrophobicContact CG2-CB 4.02Å; I65-L75 HydrophobicContact CD1-CD1 4.11Å; I65-F89 HydrophobicContact CD1-CD1 4.35Å; I65-F89 HydrophobicContact CD1-CE1 4Å; I65-F89 HydrophobicContact CG1-CD1 4.06Å; I65-F89 HydrophobicContact CG1-CE1 4.06Å; I65-D92 PolarHBondContact N-O 2.81Å; I65-T103 HydrophobicContact CB-CG2 4.29Å; I65-T103 HydrophobicContact CG2-CG2 3.61Å
66	H	98.7	Very high	98.3	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.019	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	53.1	173.7	-75.4	-59	0	0	0	114.6	D64 Q68 D92 V94 D95 R96 G97 H125 Y272	D64-H66 IonicContact OD2-NE2 3.61Å; H66-Q68 PolarHBondContact O-N 2.99Å; H66-D92 IonicContact CE1-OD2 3.47Å; H66-D92 PolarHBondContact CE1-OD2 3.03Å; H66-D92 PolarHBondContact N-O 2.92Å; H66-D92 IonicContact NE2-OD2 3.3Å; H66-D92 PolarHBondContact NE2-OD2 3.15Å; H66-V94 PolarHBondContact ND1-O 2.74Å; H66-D95 CarbonylContact C-O 3.5Å; H66-D95 WeakPolarHBondContact CA-O 3.47Å; H66-D95 WeakPolarHBondContact CB-O 3.22Å; H66-D95 VanDerWaalsContact O-O 3.1Å; H66-R96 HydrophobicContact CB-CB 4.32Å; H66-G97 WeakPolarHBondContact O-CA 3.2Å; H66-G97 PolarHBondContact O-N 3.36Å; H66-H125 AromaticContact CE1-CD2 3.62Å; H66-H125 AromaticContact CE1-CG 3.82Å; H66-H125 AromaticContact CE1-NE2 3.8Å; H66-Y272 HydrophobicContact CB-CE2 3.75Å; H66-Y272 AromaticContact CD2-CE2 3.22Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.17Å; H66-Y272 AromaticContact CD2-CZ 3.56Å; H66-Y272 PolarHBondContact CD2-OH 3.13Å; H66-Y272 VanDerWaalsContact CD2-OH 3.26Å; H66-Y272 AromaticContact CG-CE2 3.69Å; H66-Y272 AromaticContact NE2-CE2 3.99Å; H66-Y272 AromaticContact NE2-CZ 3.83Å; H66-Y272 PolarHBondContact NE2-OH 2.92Å; H66-Y272 VanDerWaalsContact NE2-OH 3.12Å
67	G	98.4	Very high	98.2	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	14.8	176.2	0	0	0	0	0	115.7	I65 Y69 Y93 Q99	I65-G67 PolarHBondContact O-N 2.86Å; G67-Y69 PolarHBondContact O-N 2.92Å; G67-Y93 PolarHBondContact N-O 2.85Å; G67-Q99 CarbonylContact O-C 3.13Å; G67-Q99 PolarHBondContact O-N 3.24Å; G67-Q99 VanDerWaalsContact O-N 3.1Å
68	Q	98.3	Very high	98.1	Very high	29 Å²	29	22.9 Å²	22.9	14%	0.136	11%	0.106	C	C	.	.			trans	-79.7	63.5	170.7	-70.4	-170	-162.4	0	0	110.9	I65 H66 Y70 D71 L72 A269 P270	I65-Q68 WeakPolarHBondContact O-CB 3.26Å; I65-Q68 PolarHBondContact O-N 2.93Å; H66-Q68 PolarHBondContact O-N 2.99Å; Q68-Y70 VanDerWaalsContact C-N 3.33Å; Q68-Y70 PolarHBondContact O-N 2.91Å; Q68-D71 HydrophobicContact CB-CB 4.2Å; Q68-D71 PolarHBondContact NE2-OD2 3.25Å; Q68-D71 PolarHBondContact O-N 2.9Å; Q68-L72 PolarHBondContact O-N 3.08Å; Q68-A269 HydrophobicContact CG-CB 4.5Å; Q68-P270 PolarHBondContact NE2-O 3.37Å
69	Y	98.5	Very high	98	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-53.8	-41.8	-169.6	-177	-121.9	0	0	0	115	L16 V19 V28 G67 D71 L72 L73 E102 T103 L106	L16-Y69 WeakPolarHBondContact CB-OH 3.04Å; L16-Y69 PolarHBondContact O-OH 3.05Å; V19-Y69 HydrophobicContact CG2-CD1 4.43Å; V19-Y69 HydrophobicContact CG2-CE1 3.65Å; V28-Y69 HydrophobicContact CG2-CE1 4.5Å; G67-Y69 PolarHBondContact O-N 2.92Å; Y69-D71 VanDerWaalsContact C-N 3.3Å; Y69-D71 PolarHBondContact O-N 3.34Å; Y69-L72 HydrophobicContact CD2-CD2 4.48Å; Y69-L72 WeakPolarHBondContact O-CB 3.49Å; Y69-L72 PolarHBondContact O-N 3.47Å; Y69-L73 HydrophobicContact CD1-CD1 4.33Å; Y69-L73 HydrophobicContact CE1-CD1 3.83Å; Y69-L73 HydrophobicContact CE1-CG 4.3Å; Y69-L73 HydrophobicContact CE2-CD2 4.26Å; Y69-L73 HydrophobicContact CE2-CG 4.41Å; Y69-L73 WeakPolarHBondContact O-CG 3.41Å; Y69-L73 PolarHBondContact O-N 3.43Å; Y69-E102 HydrophobicContact CD1-CB 3.6Å; Y69-E102 HydrophobicContact CD1-CG 4.14Å; Y69-E102 HydrophobicContact CD2-CB 3.62Å; Y69-E102 HydrophobicContact CE1-CB 3.78Å; Y69-E102 HydrophobicContact CE1-CG 4.16Å; Y69-E102 HydrophobicContact CE2-CB 3.8Å; Y69-E102 WeakPolarHBondContact CE2-O 3.31Å; Y69-E102 HydrophobicContact CG-CB 3.52Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.22Å; Y69-L106 HydrophobicContact CE2-CB 4.05Å; Y69-L106 HydrophobicContact CE2-CD2 3.77Å
70	Y	97.5	Very high	98	Very high	15 Å²	15	20.3 Å²	20.3	6%	0.059	9%	0.091	C	C	.	.	H	α-helix	trans	-69.5	-28.4	179.1	-80.3	-100	0	0	0	112.8	V19 R23 P24 K26 Q68 L73 R74 Q99	V19-Y70 WeakPolarHBondContact O-CE1 3.41Å; R23-Y70 PolarHBondContact O-OH 3.12Å; P24-Y70 HydrophobicContact CB-CD1 4.02Å; P24-Y70 HydrophobicContact CB-CD2 4.27Å; P24-Y70 HydrophobicContact CB-CE1 4.36Å; P24-Y70 HydrophobicContact CB-CG 3.96Å; P24-Y70 HydrophobicContact CG-CD1 4.05Å; P24-Y70 HydrophobicContact CG-CE1 4.42Å; P24-Y70 HydrophobicContact CG-CG 4.41Å; K26-Y70 WeakPolarHBondContact CB-OH 3.47Å; K26-Y70 PolarHBondContact N-OH 2.8Å; K26-Y70 PolarHBondContact O-OH 2.89Å; Q68-Y70 VanDerWaalsContact C-N 3.33Å; Q68-Y70 PolarHBondContact O-N 2.91Å; Y70-L73 PolarHBondContact O-N 2.8Å; Y70-R74 WeakPolarHBondContact O-CG 3.44Å; Y70-R74 PolarHBondContact O-N 3.17Å; Y70-R74 VanDerWaalsContact O-N 3.08Å; Y70-Q99 VanDerWaalsContact CD2-OE1 3.31Å
71	D	97.4	Very high	98	Very high	25 Å²	25	21.4 Å²	21.4	13%	0.134	10%	0.096	C	C	.	.	H	α-helix	trans	-75.7	-33.3	173.4	-62.9	-53.3	0	0	0	111	Q68 Y69 L73 R74 L75 P270 L296	Q68-D71 HydrophobicContact CB-CB 4.2Å; Q68-D71 PolarHBondContact NE2-OD2 3.25Å; Q68-D71 PolarHBondContact O-N 2.9Å; Y69-D71 VanDerWaalsContact C-N 3.3Å; Y69-D71 PolarHBondContact O-N 3.34Å; D71-L73 VanDerWaalsContact C-N 3.33Å; D71-L73 PolarHBondContact O-N 3.29Å; D71-R74 PolarHBondContact O-N 2.76Å; D71-R74 IonicContact OD1-CZ 2.6Å; D71-R74 IonicContact OD1-NH1 3.95Å; D71-R74 PolarHBondContact OD1-NH1 2.9Å; D71-L75 VanDerWaalsContact O-CB 3.28Å; D71-L75 WeakPolarHBondContact O-CB 3.2Å; D71-L75 PolarHBondContact O-N 2.98Å; D71-P270 HydrophobicContact CB-CG 4Å; D71-L296 HydrophobicContact CB-CD2 4.41Å
72	L	98.4	Very high	98	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-59.5	-42.5	168.1	177.2	64.5	0	0	0	111.8	I65 Q68 Y69 L75 F76 F89 T103 L106 L107	I65-L72 HydrophobicContact CD1-CD1 4.19Å; I65-L72 HydrophobicContact CG1-CD1 4.49Å; I65-L72 HydrophobicContact CG2-CB 4.02Å; Q68-L72 PolarHBondContact O-N 3.08Å; Y69-L72 HydrophobicContact CD2-CD2 4.48Å; Y69-L72 WeakPolarHBondContact O-CB 3.49Å; Y69-L72 PolarHBondContact O-N 3.47Å; L72-L75 WeakPolarHBondContact O-CB 3.3Å; L72-L75 PolarHBondContact O-N 2.93Å; L72-F76 HydrophobicContact CD1-CD2 4.12Å; L72-F76 HydrophobicContact CD1-CE2 3.51Å; L72-F76 HydrophobicContact CD1-CZ 3.78Å; L72-F76 HydrophobicContact CD2-CE2 4.08Å; L72-F76 HydrophobicContact CG-CD2 4.07Å; L72-F76 HydrophobicContact CG-CE2 3.61Å; L72-F76 HydrophobicContact CG-CZ 4.36Å; L72-F76 WeakPolarHBondContact O-CD2 3.3Å; L72-F76 PolarHBondContact O-N 3.47Å; L72-F89 HydrophobicContact CD1-CE1 3.69Å; L72-F89 HydrophobicContact CD1-CZ 3.82Å; L72-T103 HydrophobicContact CD2-CG2 4.08Å; L72-L106 HydrophobicContact CD2-CD2 4.4Å; L72-L107 HydrophobicContact CD1-CD2 4.23Å; L72-L107 HydrophobicContact CD2-CD2 3.97Å; L72-L107 HydrophobicContact CD2-CG 4.1Å
73	L	98.1	Very high	97.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-63.6	-41.5	175.5	-64.9	-179.6	0	0	0	111.9	L17 V19 Q20 Y69 Y70 D71 L75 F76 E77 L106	L17-L73 HydrophobicContact CD2-CD2 3.73Å; V19-L73 HydrophobicContact CG2-CD1 4.25Å; Q20-L73 HydrophobicContact CB-CD1 4.21Å; Y69-L73 HydrophobicContact CD1-CD1 4.33Å; Y69-L73 HydrophobicContact CE1-CD1 3.83Å; Y69-L73 HydrophobicContact CE1-CG 4.3Å; Y69-L73 HydrophobicContact CE2-CD2 4.26Å; Y69-L73 HydrophobicContact CE2-CG 4.41Å; Y69-L73 WeakPolarHBondContact O-CG 3.41Å; Y69-L73 PolarHBondContact O-N 3.43Å; Y70-L73 PolarHBondContact O-N 2.8Å; D71-L73 VanDerWaalsContact C-N 3.33Å; D71-L73 PolarHBondContact O-N 3.29Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 2.8Å; L73-F76 PolarHBondContact O-N 3.02Å; L73-E77 WeakPolarHBondContact O-CB 3.15Å; L73-E77 PolarHBondContact O-N 3.02Å; L73-L106 HydrophobicContact CD2-CD2 3.74Å
74	R	97	Very high	97.9	Very high	50 Å²	50	32.7 Å²	32.7	19%	0.189	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-36.8	174.1	-72.4	170.9	66.9	-154.7	2.2	112.2	Y70 D71 E77 Y78 L296 K297	Y70-R74 WeakPolarHBondContact O-CG 3.44Å; Y70-R74 PolarHBondContact O-N 3.17Å; Y70-R74 VanDerWaalsContact O-N 3.08Å; D71-R74 PolarHBondContact O-N 2.76Å; D71-R74 IonicContact OD1-CZ 2.6Å; D71-R74 IonicContact OD1-NH1 3.95Å; D71-R74 PolarHBondContact OD1-NH1 2.9Å; R74-E77 PolarHBondContact O-N 2.9Å; R74-Y78 WeakPolarHBondContact O-CB 3.48Å; R74-Y78 PolarHBondContact O-N 3.34Å; R74-L296 HydrophobicContact CB-CD1 4.2Å; R74-L296 HydrophobicContact CB-CD2 3.95Å; R74-K297 PolarHBondContact NH2-O 3.22Å; R74-K297 VanDerWaalsContact NH2-O 3.12Å
75	L	97.6	Very high	97.9	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-49.2	175.7	-172.5	157.4	0	0	0	109.5	C62 I65 D71 L72 L73 Y78 G79 Y87 F89 M282	C62-L75 HydrophobicContact CB-CD1 4.39Å; I65-L75 HydrophobicContact CD1-CD1 4.11Å; D71-L75 VanDerWaalsContact O-CB 3.28Å; D71-L75 WeakPolarHBondContact O-CB 3.2Å; D71-L75 PolarHBondContact O-N 2.98Å; L72-L75 WeakPolarHBondContact O-CB 3.3Å; L72-L75 PolarHBondContact O-N 2.93Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 2.8Å; L75-Y78 PolarHBondContact O-N 3.49Å; L75-G79 PolarHBondContact O-N 3.25Å; L75-Y87 HydrophobicContact CD2-CE1 4.06Å; L75-F89 HydrophobicContact CD2-CZ 4.44Å; L75-M282 HydrophobicContact CB-CE 4.27Å; L75-M282 HydrophobicContact CD1-CE 4.27Å; L75-M282 HydrophobicContact CD2-CE 3.22Å; L75-M282 HydrophobicContact CG-CE 3.27Å; L75-M282 VanDerWaalsContact O-CE 3.29Å; L75-M282 WeakPolarHBondContact O-CE 3.48Å
76	F	98.4	Very high	97.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-35.5	174.8	-68.6	-49.1	0	0	0	113.7	L72 L73 Y78 G80 F81 P82 Y87 F89 L106 L107 Y110 F118	L72-F76 HydrophobicContact CD1-CD2 4.12Å; L72-F76 HydrophobicContact CD1-CE2 3.51Å; L72-F76 HydrophobicContact CD1-CZ 3.78Å; L72-F76 HydrophobicContact CD2-CE2 4.08Å; L72-F76 HydrophobicContact CG-CD2 4.07Å; L72-F76 HydrophobicContact CG-CE2 3.61Å; L72-F76 HydrophobicContact CG-CZ 4.36Å; L72-F76 WeakPolarHBondContact O-CD2 3.3Å; L72-F76 PolarHBondContact O-N 3.47Å; L73-F76 PolarHBondContact O-N 3.02Å; F76-Y78 VanDerWaalsContact C-N 3.25Å; F76-Y78 PolarHBondContact O-N 3.03Å; F76-G80 CarbonylContact O-C 3.2Å; F76-G80 VanDerWaalsContact O-CA 3.25Å; F76-G80 WeakPolarHBondContact O-CA 3.43Å; F76-G80 PolarHBondContact O-N 2.91Å; F76-F81 HydrophobicContact CB-CD1 3.51Å; F76-F81 HydrophobicContact CB-CD2 4.3Å; F76-F81 HydrophobicContact CB-CE1 3.47Å; F76-F81 VanDerWaalsContact CB-CE1 3.47Å; F76-F81 HydrophobicContact CB-CE2 4.28Å; F76-F81 HydrophobicContact CB-CG 3.95Å; F76-F81 HydrophobicContact CB-CZ 3.88Å; F76-F81 HydrophobicContact CD2-CD1 4.43Å; F76-F81 HydrophobicContact CD2-CE1 4.33Å; F76-F81 HydrophobicContact CG-CD1 4.14Å; F76-F81 HydrophobicContact CG-CE1 4.27Å; F76-F81 PolarHBondContact O-N 3.42Å; F76-P82 HydrophobicContact CD1-CG 4.43Å; F76-P82 HydrophobicContact CE1-CG 4.12Å; F76-Y87 HydrophobicContact CD1-CE1 4.08Å; F76-Y87 HydrophobicContact CD1-CE2 4Å; F76-Y87 AromaticContact CD1-CZ 3.7Å; F76-Y87 HydrophobicContact CE1-CD1 4.18Å; F76-Y87 HydrophobicContact CE1-CD2 4.22Å; F76-Y87 HydrophobicContact CE1-CE1 4.02Å; F76-Y87 HydrophobicContact CE1-CE2 4.05Å; F76-Y87 HydrophobicContact CE1-CG 4.28Å; F76-Y87 AromaticContact CE1-CZ 3.95Å; F76-F89 HydrophobicContact CE1-CE2 4.12Å; F76-F89 AromaticContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CZ-CE2 4.09Å; F76-F89 AromaticContact CZ-CZ 3.69Å; F76-F89 HydrophobicContact CZ-CZ 3.69Å; F76-L106 HydrophobicContact CD2-CD2 4.42Å; F76-L106 HydrophobicContact CE2-CD2 4.11Å; F76-L107 HydrophobicContact CZ-CD2 4.2Å; F76-Y110 HydrophobicContact CD2-CE2 4.34Å; F76-Y110 HydrophobicContact CE2-CD2 4.27Å; F76-Y110 AromaticContact CE2-CE2 3.92Å; F76-Y110 HydrophobicContact CE2-CE2 3.92Å; F76-Y110 HydrophobicContact CZ-CD2 4.23Å; F76-Y110 HydrophobicContact CZ-CE2 4.22Å; F76-F118 AromaticContact CE1-CE2 3.96Å; F76-F118 HydrophobicContact CE1-CE2 3.96Å; F76-F118 HydrophobicContact CE1-CZ 4.44Å; F76-F118 AromaticContact CZ-CE2 3.92Å; F76-F118 HydrophobicContact CZ-CE2 3.92Å; F76-F118 AromaticContact CZ-CZ 3.98Å; F76-F118 HydrophobicContact CZ-CZ 3.98Å
77	E	96.7	Very high	97.9	Very high	112 Å²	112	35.4 Å²	35.4	52%	0.523	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-35.5	174.3	-174.6	175.8	178.3	0	0	111.9	Q20 L73 R74 F81	Q20-E77 PolarHBondContact NE2-OE2 3.32Å; L73-E77 WeakPolarHBondContact O-CB 3.15Å; L73-E77 PolarHBondContact O-N 3.02Å; R74-E77 PolarHBondContact O-N 2.9Å; E77-F81 HydrophobicContact CB-CE2 4.17Å
78	Y	95.8	Very high	97.9	Very high	140 Å²	140	35.4 Å²	35.4	55%	0.549	17%	0.173	S	C	.	.	H	α-helix	trans	-85.8	-32.8	-179.9	-157.4	-122.6	0	0	0	113.6	R74 L75 F76 Q294	R74-Y78 WeakPolarHBondContact O-CB 3.48Å; R74-Y78 PolarHBondContact O-N 3.34Å; L75-Y78 PolarHBondContact O-N 3.49Å; F76-Y78 VanDerWaalsContact C-N 3.25Å; F76-Y78 PolarHBondContact O-N 3.03Å; Y78-Q294 HydrophobicContact CD1-CB 3.96Å; Y78-Q294 HydrophobicContact CE1-CB 3.83Å; Y78-Q294 HydrophobicContact CE1-CG 4.38Å; Y78-Q294 PolarHBondContact O-NE2 3.37Å
79	G	96.7	Very high	97.9	Very high	5 Å²	5	34 Å²	34	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-93.2	-7.7	-179.8	0	0	0	0	0	114.8	K60 L75 S85 Y87	K60-G79 WeakPolarHBondContact CD-O 3.23Å; K60-G79 WeakPolarHBondContact CE-O 3.26Å; L75-G79 PolarHBondContact O-N 3.25Å; G79-S85 PolarHBondContact O-OG 2.65Å; G79-S85 VanDerWaalsContact O-OG 3.09Å; G79-Y87 WeakPolarHBondContact CA-OH 3.18Å; G79-Y87 PolarHBondContact O-OH 2.84Å; G79-Y87 VanDerWaalsContact O-OH 3.14Å
80	G	98.2	Very high	98	Very high	7 Å²	7	34 Å²	34	7%	0.072	17%	0.166	C	C	.	.			trans	85.5	129.8	-170.3	0	0	0	0	0	111.6	F76 E84 Y87	F76-G80 CarbonylContact O-C 3.2Å; F76-G80 VanDerWaalsContact O-CA 3.25Å; F76-G80 WeakPolarHBondContact O-CA 3.43Å; F76-G80 PolarHBondContact O-N 2.91Å; G80-E84 WeakPolarHBondContact CA-OE2 3.5Å; G80-Y87 VanDerWaalsContact O-CE2 3.27Å; G80-Y87 WeakPolarHBondContact O-CE2 3.36Å; G80-Y87 PolarHBondContact O-OH 2.92Å
81	F	98.4	Very high	98	Very high	49 Å²	49	33.2 Å²	33.2	22%	0.215	16%	0.163	C	C	.	.			trans	-72	144.6	-179.4	-77.8	-91.6	0	0	0	110.9	L17 F76 E77 E84 Y110	L17-F81 HydrophobicContact CD2-CD1 4.23Å; L17-F81 HydrophobicContact CD2-CE1 3.71Å; F76-F81 HydrophobicContact CB-CD1 3.51Å; F76-F81 HydrophobicContact CB-CD2 4.3Å; F76-F81 HydrophobicContact CB-CE1 3.47Å; F76-F81 VanDerWaalsContact CB-CE1 3.47Å; F76-F81 HydrophobicContact CB-CE2 4.28Å; F76-F81 HydrophobicContact CB-CG 3.95Å; F76-F81 HydrophobicContact CB-CZ 3.88Å; F76-F81 HydrophobicContact CD2-CD1 4.43Å; F76-F81 HydrophobicContact CD2-CE1 4.33Å; F76-F81 HydrophobicContact CG-CD1 4.14Å; F76-F81 HydrophobicContact CG-CE1 4.27Å; F76-F81 PolarHBondContact O-N 3.42Å; E77-F81 HydrophobicContact CB-CE2 4.17Å; F81-E84 WeakPolarHBondContact O-CB 3.38Å; F81-E84 PolarHBondContact O-N 2.64Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.36Å
82	P	98.2	Very high	98.1	Very high	9 Å²	9	32.1 Å²	32.1	6%	0.058	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	132.6	173.6	-25.7	34.2	0	0	0	112.2	F76 Y87 Y110 Y114 F118	F76-P82 HydrophobicContact CD1-CG 4.43Å; F76-P82 HydrophobicContact CE1-CG 4.12Å; P82-Y87 HydrophobicContact CG-CD2 3.96Å; P82-Y87 HydrophobicContact CG-CE2 4.11Å; P82-Y110 HydrophobicContact CB-CD1 3.89Å; P82-Y110 HydrophobicContact CB-CE1 4.06Å; P82-Y110 HydrophobicContact CB-CG 4.22Å; P82-Y110 HydrophobicContact CG-CD1 4.11Å; P82-Y110 HydrophobicContact CG-CD2 4.01Å; P82-Y110 HydrophobicContact CG-CE1 4.21Å; P82-Y110 HydrophobicContact CG-CE2 4.09Å; P82-Y110 HydrophobicContact CG-CG 4.02Å; P82-Y114 HydrophobicContact CB-CD2 3.66Å; P82-Y114 HydrophobicContact CB-CE2 3.79Å; P82-Y114 WeakPolarHBondContact O-CE2 3.28Å; P82-F118 HydrophobicContact CB-CD2 4.18Å; P82-F118 HydrophobicContact CG-CD2 3.65Å; P82-F118 HydrophobicContact CG-CE2 3.64Å
83	P	98	Very high	98.1	Very high	74 Å²	74	32.1 Å²	32.1	48%	0.481	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	cis	-101.5	19.8	12.4	39.8	-31.4	0	0	0	114.1	S85 Y114	P83-S85 PolarHBondContact O-N 3.4Å; P83-Y114 HydrophobicContact CB-CD1 3.88Å; P83-Y114 HydrophobicContact CB-CD2 4.49Å; P83-Y114 HydrophobicContact CB-CE1 3.82Å; P83-Y114 HydrophobicContact CB-CE2 4.42Å; P83-Y114 HydrophobicContact CB-CG 4.23Å; P83-Y114 WeakPolarHBondContact CD-OH 3.23Å; P83-Y114 HydrophobicContact CG-CD1 4.28Å; P83-Y114 HydrophobicContact CG-CE1 3.72Å
84	E	98.2	Very high	98.2	Very high	153 Å²	153	32 Å²	32	72%	0.715	16%	0.157	S	C	*	.	S	Bend	trans	-59.2	-30.1	178	-172	-176.8	170.8	0	0	112.3	G80 F81	G80-E84 WeakPolarHBondContact CA-OE2 3.5Å; F81-E84 WeakPolarHBondContact O-CB 3.38Å; F81-E84 PolarHBondContact O-N 2.64Å
85	S	98.4	Very high	98.2	Very high	27 Å²	27	29.6 Å²	29.6	19%	0.189	15%	0.148	C	C	.	.	S	Bend	trans	-134.7	146.7	171.1	-73.4	0	0	0	0	110.5	K60 G79 P83 Y87	K60-S85 WeakPolarHBondContact CE-OG 3.38Å; G79-S85 PolarHBondContact O-OG 2.65Å; G79-S85 VanDerWaalsContact O-OG 3.09Å; P83-S85 PolarHBondContact O-N 3.4Å; S85-Y87 WeakPolarHBondContact O-CD2 3.44Å; S85-Y87 WeakPolarHBondContact O-CE2 3.39Å
86	N	98.8	Very high	98.2	Very high	39 Å²	39	35 Å²	35	21%	0.209	17%	0.168	C	C	.	.			trans	-77	143	169.2	-57.5	-40.4	0	0	0	109.4	P58 L59 K60 N117	P58-N86 WeakPolarHBondContact O-CB 2.96Å; P58-N86 PolarHBondContact O-ND2 3.44Å; L59-N86 WeakPolarHBondContact CA-O 3.38Å; L59-N86 HydrophobicContact CB-CB 3.91Å; K60-N86 PolarHBondContact N-O 3.42Å; N86-N117 CarbonylContact C-O 3.52Å; N86-N117 WeakPolarHBondContact CA-O 3.37Å; N86-N117 VanDerWaalsContact OD1-CB 3.26Å; N86-N117 WeakPolarHBondContact OD1-CB 3.35Å; N86-N117 PolarHBondContact OD1-ND2 2.98Å
87	Y	98.9	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.2	-178.3	-76.2	-90.8	0	0	0	112.8	K60 L75 F76 G79 G80 P82 S85 F89 N117 F118 F119	K60-Y87 HydrophobicContact CB-CD1 3.85Å; K60-Y87 HydrophobicContact CB-CE1 3.76Å; K60-Y87 HydrophobicContact CD-CE1 4.09Å; K60-Y87 WeakPolarHBondContact O-CA 3.34Å; L75-Y87 HydrophobicContact CD2-CE1 4.06Å; F76-Y87 HydrophobicContact CD1-CE1 4.08Å; F76-Y87 HydrophobicContact CD1-CE2 4Å; F76-Y87 AromaticContact CD1-CZ 3.7Å; F76-Y87 HydrophobicContact CE1-CD1 4.18Å; F76-Y87 HydrophobicContact CE1-CD2 4.22Å; F76-Y87 HydrophobicContact CE1-CE1 4.02Å; F76-Y87 HydrophobicContact CE1-CE2 4.05Å; F76-Y87 HydrophobicContact CE1-CG 4.28Å; F76-Y87 AromaticContact CE1-CZ 3.95Å; G79-Y87 WeakPolarHBondContact CA-OH 3.18Å; G79-Y87 PolarHBondContact O-OH 2.84Å; G79-Y87 VanDerWaalsContact O-OH 3.14Å; G80-Y87 VanDerWaalsContact O-CE2 3.27Å; G80-Y87 WeakPolarHBondContact O-CE2 3.36Å; G80-Y87 PolarHBondContact O-OH 2.92Å; P82-Y87 HydrophobicContact CG-CD2 3.96Å; P82-Y87 HydrophobicContact CG-CE2 4.11Å; S85-Y87 WeakPolarHBondContact O-CD2 3.44Å; S85-Y87 WeakPolarHBondContact O-CE2 3.39Å; Y87-F89 AromaticContact CD1-CE2 3.9Å; Y87-F89 HydrophobicContact CD1-CE2 3.9Å; Y87-F89 HydrophobicContact CD1-CZ 4.25Å; Y87-F89 HydrophobicContact CG-CE2 4.09Å; Y87-N117 PolarHBondContact N-O 2.9Å; Y87-F118 HydrophobicContact CD2-CD2 4.24Å; Y87-F118 HydrophobicContact CD2-CE2 4.18Å; Y87-F118 HydrophobicContact CG-CD2 4.32Å; Y87-F118 HydrophobicContact CG-CE2 4.08Å; Y87-F119 WeakPolarHBondContact O-CD2 3.29Å; Y87-F119 PolarHBondContact O-N 2.81Å
88	L	98.9	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.3	163	174.9	66.1	0	0	0	108.6	L55 L59 K60 I61 C62 L90 F119 L121 A163 C171	L55-L88 HydrophobicContact CD1-CB 4.47Å; L55-L88 HydrophobicContact CD1-CD1 3.98Å; L55-L88 HydrophobicContact CD1-CD2 4.11Å; L55-L88 HydrophobicContact CD1-CG 4.42Å; L59-L88 HydrophobicContact CD1-CB 3.71Å; L59-L88 HydrophobicContact CD1-CD2 4.39Å; K60-L88 PolarHBondContact O-N 3.27Å; I61-L88 CarbonylContact C-O 3.49Å; I61-L88 VanDerWaalsContact CA-O 3.25Å; I61-L88 WeakPolarHBondContact CA-O 3.4Å; I61-L88 HydrophobicContact CD1-CD2 4.31Å; I61-L88 HydrophobicContact CG1-CB 4.36Å; I61-L88 HydrophobicContact CG1-CD2 4.41Å; I61-L88 HydrophobicContact CG2-CB 4.49Å; I61-L88 HydrophobicContact CG2-CD2 4.26Å; I61-L88 HydrophobicContact CG2-CG 4.39Å; C62-L88 PolarHBondContact N-O 2.83Å; L88-L90 HydrophobicContact CD2-CD2 4.33Å; L88-L90 HydrophobicContact CG-CD2 4.42Å; L88-F119 WeakPolarHBondContact CA-O 3.37Å; L88-F119 HydrophobicContact CD1-CB 3.7Å; L88-L121 HydrophobicContact CD1-CD1 4.27Å; L88-L121 HydrophobicContact CD1-CD2 4.1Å; L88-L121 HydrophobicContact CD1-CG 3.8Å; L88-A163 HydrophobicContact CD1-CB 4.27Å; L88-A163 HydrophobicContact CD2-CB 3.94Å; L88-C171 HydrophobicContact CD2-CB 3.87Å
89	F	98.9	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.9	169.4	-68.5	-108.3	0	0	0	111	C62 I65 L72 L75 F76 Y87 Y93 L107 F118 F119 L120 L121	C62-F89 HydrophobicContact CB-CD1 3.55Å; C62-F89 HydrophobicContact CB-CE1 3.59Å; C62-F89 HydrophobicContact CB-CG 4.09Å; C62-F89 HydrophobicContact CB-CZ 4.16Å; C62-F89 CarbonylContact O-C 3.59Å; C62-F89 WeakPolarHBondContact O-CA 3.44Å; I65-F89 HydrophobicContact CD1-CD1 4.35Å; I65-F89 HydrophobicContact CD1-CE1 4Å; I65-F89 HydrophobicContact CG1-CD1 4.06Å; I65-F89 HydrophobicContact CG1-CE1 4.06Å; L72-F89 HydrophobicContact CD1-CE1 3.69Å; L72-F89 HydrophobicContact CD1-CZ 3.82Å; L75-F89 HydrophobicContact CD2-CZ 4.44Å; F76-F89 HydrophobicContact CE1-CE2 4.12Å; F76-F89 AromaticContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CZ-CE2 4.09Å; F76-F89 AromaticContact CZ-CZ 3.69Å; F76-F89 HydrophobicContact CZ-CZ 3.69Å; Y87-F89 AromaticContact CD1-CE2 3.9Å; Y87-F89 HydrophobicContact CD1-CE2 3.9Å; Y87-F89 HydrophobicContact CD1-CZ 4.25Å; Y87-F89 HydrophobicContact CG-CE2 4.09Å; F89-Y93 HydrophobicContact CB-CE1 3.64Å; F89-Y93 HydrophobicContact CD1-CE1 4.49Å; F89-Y93 HydrophobicContact CG-CE1 4.33Å; F89-Y93 PolarHBondContact O-OH 2.75Å; F89-L107 HydrophobicContact CD1-CD2 4.42Å; F89-L107 HydrophobicContact CD2-CD2 4.31Å; F89-L107 HydrophobicContact CE1-CD2 4.13Å; F89-L107 HydrophobicContact CE2-CD2 4.01Å; F89-L107 HydrophobicContact CZ-CD2 3.93Å; F89-F118 HydrophobicContact CD2-CE1 4.47Å; F89-F118 HydrophobicContact CD2-CE2 4.44Å; F89-F118 AromaticContact CD2-CZ 3.95Å; F89-F118 HydrophobicContact CD2-CZ 3.95Å; F89-F118 HydrophobicContact CE2-CE1 4.42Å; F89-F118 AromaticContact CE2-CE2 3.77Å; F89-F118 HydrophobicContact CE2-CE2 3.77Å; F89-F118 AromaticContact CE2-CZ 3.5Å; F89-F118 HydrophobicContact CE2-CZ 3.5Å; F89-F118 VanDerWaalsContact CE2-CZ 3.5Å; F89-F118 HydrophobicContact CZ-CZ 4.39Å; F89-F119 PolarHBondContact N-O 2.83Å; F89-L120 HydrophobicContact CB-CD2 3.78Å; F89-L120 HydrophobicContact CD2-CD2 3.87Å; F89-L120 HydrophobicContact CG-CD2 3.99Å; F89-L121 WeakPolarHBondContact O-CB 3.41Å; F89-L121 PolarHBondContact O-N 3.24Å
90	L	98.9	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.			trans	-92.1	11	-172.7	-60	178.3	0	0	0	113.9	I61 C62 L88 L121 C171 H173 A247 L266	I61-L90 HydrophobicContact CG2-CD1 3.88Å; I61-L90 HydrophobicContact CG2-CD2 3.8Å; I61-L90 HydrophobicContact CG2-CG 3.76Å; C62-L90 WeakPolarHBondContact O-CB 3.31Å; C62-L90 WeakPolarHBondContact O-CG 3.22Å; C62-L90 PolarHBondContact O-N 3.26Å; L88-L90 HydrophobicContact CD2-CD2 4.33Å; L88-L90 HydrophobicContact CG-CD2 4.42Å; L90-L121 HydrophobicContact CD2-CD1 3.85Å; L90-C171 HydrophobicContact CD2-CB 3.9Å; L90-H173 WeakPolarHBondContact O-CA 3.19Å; L90-H173 WeakPolarHBondContact O-CB 3.48Å; L90-H173 VanDerWaalsContact O-CG 3.29Å; L90-H173 PolarHBondContact O-ND1 3.24Å; L90-A247 HydrophobicContact CB-CB 3.86Å; L90-A247 HydrophobicContact CD1-CB 3.79Å; L90-A247 HydrophobicContact CG-CB 4.48Å; L90-L266 HydrophobicContact CD1-CB 4.47Å; L90-L266 HydrophobicContact CD1-CD1 4.31Å
91	G	98.9	Very high	98.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	105	-171.7	-179.4	0	0	0	0	0	114.4	Y93	G91-Y93 PolarHBondContact N-OH 2.83Å
92	D	98.9	Very high	98.3	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	15%	0.152	C	C	.	.			trans	56.9	60.3	177.9	-81.8	18.3	0	0	0	112.7	D64 I65 H66 G123 N124 H125 E126 H173	D64-D92 HydrophobicContact CB-CB 3.98Å; I65-D92 PolarHBondContact N-O 2.81Å; H66-D92 IonicContact CE1-OD2 3.47Å; H66-D92 PolarHBondContact CE1-OD2 3.03Å; H66-D92 PolarHBondContact N-O 2.92Å; H66-D92 IonicContact NE2-OD2 3.3Å; H66-D92 PolarHBondContact NE2-OD2 3.15Å; D92-G123 WeakPolarHBondContact OD1-CA 3.33Å; D92-N124 PolarHBondContact OD1-N 2.8Å; D92-N124 PolarHBondContact OD1-OD1 3.2Å; D92-N124 PolarHBondContact OD2-OD1 3.11Å; D92-H125 WeakPolarHBondContact OD1-CB 3.49Å; D92-H125 IonicContact OD1-CD2 3.67Å; D92-H125 IonicContact OD1-CG 2.72Å; D92-H125 PolarHBondContact OD1-N 3.29Å; D92-H125 IonicContact OD2-CD2 3.86Å; D92-H125 PolarHBondContact OD2-CD2 2.88Å; D92-H125 IonicContact OD2-CG 3.3Å; D92-E126 PolarHBondContact N-OE2 2.97Å; D92-H173 VanDerWaalsContact CG-NE2 3.33Å; D92-H173 IonicContact OD1-CE1 2.73Å; D92-H173 IonicContact OD1-NE2 3.15Å; D92-H173 PolarHBondContact OD1-NE2 3.15Å; D92-H173 IonicContact OD2-CE1 3.72Å; D92-H173 PolarHBondContact OD2-CE1 2.77Å; D92-H173 IonicContact OD2-NE2 2.87Å; D92-H173 PolarHBondContact OD2-NE2 2.84Å
93	Y	98.9	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.			trans	-83.6	-33.7	-178.7	-49.3	-54.9	0	0	0	112.2	G67 F89 G91 T103 I104 L107 L120 L121 E126 L159	G67-Y93 PolarHBondContact N-O 2.85Å; F89-Y93 HydrophobicContact CB-CE1 3.64Å; F89-Y93 HydrophobicContact CD1-CE1 4.49Å; F89-Y93 HydrophobicContact CG-CE1 4.33Å; F89-Y93 PolarHBondContact O-OH 2.75Å; G91-Y93 PolarHBondContact N-OH 2.83Å; Y93-T103 VanDerWaalsContact O-CG2 3.28Å; Y93-T103 WeakPolarHBondContact O-CG2 3.43Å; Y93-I104 HydrophobicContact CD2-CD1 3.75Å; Y93-I104 HydrophobicContact CG-CD1 4Å; Y93-L107 HydrophobicContact CD1-CD1 3.29Å; Y93-L107 HydrophobicContact CE1-CD1 3.86Å; Y93-L107 HydrophobicContact CG-CD1 3.78Å; Y93-L120 HydrophobicContact CE1-CD2 3.97Å; Y93-L120 HydrophobicContact CE2-CB 4.46Å; Y93-L120 WeakPolarHBondContact OH-CA 3.22Å; Y93-L120 WeakPolarHBondContact OH-CB 3.36Å; Y93-L121 WeakPolarHBondContact CE2-O 3.3Å; Y93-L121 VanDerWaalsContact CZ-O 3.3Å; Y93-L121 PolarHBondContact OH-N 3Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 2.9Å; Y93-E126 HydrophobicContact CD2-CG 3.73Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.28Å; Y93-E126 HydrophobicContact CE2-CG 4.12Å; Y93-E126 PolarHBondContact N-OE1 2.83Å; Y93-L159 HydrophobicContact CE2-CD1 4.27Å
94	V	98.9	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-112.1	179.2	-170.7	-58.1	0	0	0	0	111.8	H66 I104 H125 N131 F136 F156	H66-V94 PolarHBondContact ND1-O 2.74Å; V94-I104 HydrophobicContact CG1-CB 4.08Å; V94-I104 HydrophobicContact CG1-CG2 4.32Å; V94-H125 HydrophobicContact CG2-CB 4.44Å; V94-N131 HydrophobicContact CG2-CB 4.2Å; V94-F136 HydrophobicContact CB-CB 4.03Å; V94-F136 HydrophobicContact CB-CD1 4.32Å; V94-F136 HydrophobicContact CB-CD2 3.83Å; V94-F136 HydrophobicContact CB-CE2 4.33Å; V94-F136 HydrophobicContact CB-CG 3.8Å; V94-F136 HydrophobicContact CG1-CD1 4.32Å; V94-F136 HydrophobicContact CG1-CD2 3.77Å; V94-F136 HydrophobicContact CG1-CE1 4.31Å; V94-F136 HydrophobicContact CG1-CE2 3.75Å; V94-F136 HydrophobicContact CG1-CG 4.06Å; V94-F136 HydrophobicContact CG1-CZ 4.03Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.18Å; V94-F136 HydrophobicContact CG2-CG 4.03Å; V94-F156 HydrophobicContact CG1-CZ 4.07Å; V94-F156 HydrophobicContact CG2-CE2 4.45Å
95	D	98.6	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	67.4	166.1	-177.4	-64.7	-38.5	0	0	0	114.7	H66 G97 S100 H125 N131 Y134 G135 F136	H66-D95 CarbonylContact C-O 3.5Å; H66-D95 WeakPolarHBondContact CA-O 3.47Å; H66-D95 WeakPolarHBondContact CB-O 3.22Å; H66-D95 VanDerWaalsContact O-O 3.1Å; D95-G97 PolarHBondContact O-N 3.38Å; D95-S100 PolarHBondContact N-OG 3.34Å; D95-S100 VanDerWaalsContact N-OG 3.09Å; D95-H125 VanDerWaalsContact CB-ND1 3.33Å; D95-H125 WeakPolarHBondContact CB-ND1 3.27Å; D95-H125 IonicContact OD2-CE1 3.86Å; D95-H125 IonicContact OD2-CG 3.4Å; D95-H125 IonicContact OD2-ND1 2.66Å; D95-H125 PolarHBondContact OD2-ND1 2.84Å; D95-N131 WeakPolarHBondContact OD1-CA 3.25Å; D95-N131 WeakPolarHBondContact OD2-CA 3.27Å; D95-N131 WeakPolarHBondContact OD2-CB 3.41Å; D95-Y134 WeakPolarHBondContact CB-O 3.35Å; D95-Y134 VanDerWaalsContact OD1-C 3.23Å; D95-G135 PolarHBondContact OD1-N 3.2Å; D95-G135 VanDerWaalsContact OD1-N 3.14Å; D95-F136 WeakPolarHBondContact OD1-CB 3.32Å; D95-F136 PolarHBondContact OD1-N 3.03Å
96	R	96.6	Very high	98.4	Very high	118 Å²	118	18.1 Å²	18.1	45%	0.445	8%	0.084	S	C	.	.	S	Bend	trans	66.3	-50.4	173.1	-52.3	-86.2	-172.1	179	0.8	114.8	H66 Y134 Y272	H66-R96 HydrophobicContact CB-CB 4.32Å; R96-Y134 PolarHBondContact N-O 3.18Å; R96-Y272 HydrophobicContact CB-CE2 4.37Å; R96-Y272 WeakPolarHBondContact CG-OH 3.48Å
97	G	94.9	Very high	98.4	Very high	22 Å²	22	16.2 Å²	16.2	23%	0.227	7%	0.074	C	C	.	.	S	Bend	trans	-78.1	-179.2	173.8	0	0	0	0	0	113.7	H66 D95	H66-G97 WeakPolarHBondContact O-CA 3.2Å; H66-G97 PolarHBondContact O-N 3.36Å; D95-G97 PolarHBondContact O-N 3.38Å
98	K	95.5	Very high	98.4	Very high	181 Å²	181	16.3 Å²	16.3	79%	0.787	8%	0.075	S	C	*	.	S	Bend	trans	-94.9	-18.2	-166.2	-64.3	179.9	-178.6	174.4	0	114.6
99	Q	98.4	Very high	98.4	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.037	8%	0.075	C	C	.	.			trans	-137.5	52.8	-168.5	-64.2	-170.8	-94.9	0	0	110.7	G25 K26 N27 G67 Y70 L101 E102 T103	G25-Q99 VanDerWaalsContact CA-OE1 3.27Å; K26-Q99 PolarHBondContact O-NE2 3.43Å; N27-Q99 PolarHBondContact OD1-NE2 3.07Å; G67-Q99 CarbonylContact O-C 3.13Å; G67-Q99 PolarHBondContact O-N 3.24Å; G67-Q99 VanDerWaalsContact O-N 3.1Å; Y70-Q99 VanDerWaalsContact CD2-OE1 3.31Å; Q99-L101 PolarHBondContact O-N 3.44Å; Q99-E102 HydrophobicContact CB-CB 4.42Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.47Å; Q99-E102 PolarHBondContact O-N 2.88Å; Q99-T103 PolarHBondContact O-N 3Å; Q99-T103 VanDerWaalsContact O-N 3.16Å; Q99-T103 PolarHBondContact O-OG1 3.06Å
100	S	98.8	Very high	98.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-35.6	179.4	-58.3	0	0	0	0	111.4	D95 T103 I104 E139	D95-S100 PolarHBondContact N-OG 3.34Å; D95-S100 VanDerWaalsContact N-OG 3.09Å; S100-T103 PolarHBondContact O-N 2.97Å; S100-I104 VanDerWaalsContact O-CG2 3.29Å; S100-I104 WeakPolarHBondContact O-CG2 3.19Å; S100-I104 PolarHBondContact O-N 3.42Å; S100-E139 WeakPolarHBondContact CB-OE2 3.36Å; S100-E139 PolarHBondContact N-OE1 2.87Å; S100-E139 PolarHBondContact N-OE2 3.4Å; S100-E139 PolarHBondContact OG-OE2 3.35Å
101	L	98.9	Very high	98.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-64	-47.7	179.5	-76	163.8	0	0	0	112.1	Q99 C105 F136 E139 R143 Y144 F152	Q99-L101 PolarHBondContact O-N 3.44Å; L101-C105 WeakPolarHBondContact O-CB 3.33Å; L101-C105 PolarHBondContact O-N 2.95Å; L101-C105 PolarHBondContact O-SG 3.18Å; L101-F136 HydrophobicContact CD2-CE2 3.91Å; L101-F136 HydrophobicContact CD2-CZ 4.31Å; L101-F136 HydrophobicContact CG-CE2 4.15Å; L101-E139 WeakPolarHBondContact CB-OE1 3.43Å; L101-E139 HydrophobicContact CD1-CG 3.78Å; L101-E139 WeakPolarHBondContact CD1-OE1 3.13Å; L101-E139 HydrophobicContact CG-CG 4.26Å; L101-E139 WeakPolarHBondContact CG-OE1 3.31Å; L101-E139 PolarHBondContact N-OE1 2.99Å; L101-E139 VanDerWaalsContact N-OE1 3.16Å; L101-R143 HydrophobicContact CD1-CB 4.11Å; L101-Y144 HydrophobicContact CD1-CD2 3.87Å; L101-Y144 HydrophobicContact CD1-CE2 3.8Å; L101-F152 HydrophobicContact CD2-CE2 3.55Å; L101-F152 HydrophobicContact CD2-CZ 3.84Å
102	E	98.9	Very high	98.4	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.019	8%	0.082	C	C	.	.	H	α-helix	trans	-61.9	-45.1	176	-74	80.8	178	0	0	111.7	L16 N27 V28 Y69 Q99 C105 L106 R143	L16-E102 HydrophobicContact CD2-CB 4.41Å; L16-E102 HydrophobicContact CD2-CG 4.43Å; N27-E102 VanDerWaalsContact CA-OE1 3.26Å; N27-E102 WeakPolarHBondContact CA-OE1 3.49Å; N27-E102 WeakPolarHBondContact CB-OE1 3.26Å; V28-E102 HydrophobicContact CB-CG 3.95Å; V28-E102 HydrophobicContact CG2-CG 4.02Å; V28-E102 PolarHBondContact N-OE1 3.28Å; Y69-E102 HydrophobicContact CD1-CB 3.6Å; Y69-E102 HydrophobicContact CD1-CG 4.14Å; Y69-E102 HydrophobicContact CD2-CB 3.62Å; Y69-E102 HydrophobicContact CE1-CB 3.78Å; Y69-E102 HydrophobicContact CE1-CG 4.16Å; Y69-E102 HydrophobicContact CE2-CB 3.8Å; Y69-E102 WeakPolarHBondContact CE2-O 3.31Å; Y69-E102 HydrophobicContact CG-CB 3.52Å; Q99-E102 HydrophobicContact CB-CB 4.42Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.47Å; Q99-E102 PolarHBondContact O-N 2.88Å; E102-C105 PolarHBondContact O-N 3.33Å; E102-L106 WeakPolarHBondContact O-CB 3.19Å; E102-L106 PolarHBondContact O-N 3.41Å; E102-R143 VanDerWaalsContact CD-NH1 3.25Å; E102-R143 IonicContact OE1-CZ 3.14Å; E102-R143 VanDerWaalsContact OE1-CZ 3.3Å; E102-R143 IonicContact OE1-NH1 3.72Å; E102-R143 PolarHBondContact OE1-NH1 2.74Å; E102-R143 IonicContact OE1-NH2 2.74Å; E102-R143 PolarHBondContact OE1-NH2 2.8Å; E102-R143 IonicContact OE2-CZ 3.61Å; E102-R143 IonicContact OE2-NH1 2.72Å; E102-R143 PolarHBondContact OE2-NH1 3.3Å; E102-R143 IonicContact OE2-NH2 3.46Å
103	T	98.9	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-54.2	-59.5	176.8	-69.4	0	0	0	0	111.1	I65 Y69 L72 Y93 Q99 S100 C105 L106 L107	I65-T103 HydrophobicContact CB-CG2 4.29Å; I65-T103 HydrophobicContact CG2-CG2 3.61Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.22Å; L72-T103 HydrophobicContact CD2-CG2 4.08Å; Y93-T103 VanDerWaalsContact O-CG2 3.28Å; Y93-T103 WeakPolarHBondContact O-CG2 3.43Å; Q99-T103 PolarHBondContact O-N 3Å; Q99-T103 VanDerWaalsContact O-N 3.16Å; Q99-T103 PolarHBondContact O-OG1 3.06Å; S100-T103 PolarHBondContact O-N 2.97Å; T103-C105 VanDerWaalsContact C-N 3.34Å; T103-C105 PolarHBondContact O-N 2.85Å; T103-L106 PolarHBondContact O-N 3.22Å; T103-L107 HydrophobicContact CG2-CD1 4.04Å; T103-L107 VanDerWaalsContact O-CG 3.3Å; T103-L107 WeakPolarHBondContact O-CG 3.39Å; T103-L107 PolarHBondContact O-N 3.23Å; T103-L107 VanDerWaalsContact O-N 3.14Å
104	I	98.9	Very high	98.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-68.4	-35	-175.6	-167.3	58	0	0	0	111.9	Y93 V94 S100 L106 L107 L108 F136 F152 F156	Y93-I104 HydrophobicContact CD2-CD1 3.75Å; Y93-I104 HydrophobicContact CG-CD1 4Å; V94-I104 HydrophobicContact CG1-CB 4.08Å; V94-I104 HydrophobicContact CG1-CG2 4.32Å; S100-I104 VanDerWaalsContact O-CG2 3.29Å; S100-I104 WeakPolarHBondContact O-CG2 3.19Å; S100-I104 PolarHBondContact O-N 3.42Å; I104-L106 PolarHBondContact O-N 3.02Å; I104-L107 PolarHBondContact O-N 2.95Å; I104-L108 HydrophobicContact CD1-CD2 4.28Å; I104-L108 HydrophobicContact CD1-CG 4.14Å; I104-L108 HydrophobicContact CG1-CD1 4.14Å; I104-L108 HydrophobicContact CG1-CG 4.08Å; I104-L108 WeakPolarHBondContact O-CB 3.28Å; I104-L108 VanDerWaalsContact O-CG 3.25Å; I104-L108 WeakPolarHBondContact O-CG 3.39Å; I104-L108 PolarHBondContact O-N 2.9Å; I104-F136 HydrophobicContact CG2-CE2 4.28Å; I104-F136 HydrophobicContact CG2-CZ 4.23Å; I104-F152 HydrophobicContact CG1-CD1 4.49Å; I104-F152 HydrophobicContact CG1-CE1 4.23Å; I104-F152 HydrophobicContact CG2-CD1 4.25Å; I104-F152 HydrophobicContact CG2-CE1 3.51Å; I104-F152 HydrophobicContact CG2-CZ 3.88Å; I104-F156 HydrophobicContact CD1-CE1 3.87Å; I104-F156 HydrophobicContact CD1-CZ 4.45Å; I104-F156 HydrophobicContact CG1-CE1 3.77Å; I104-F156 HydrophobicContact CG1-CZ 4.04Å
105	C	98.9	Very high	98.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-41	177.8	-71.3	0	0	0	0	112	L16 L30 L38 L101 E102 T103 A109	L16-C105 HydrophobicContact CD1-CB 4.21Å; L16-C105 HydrophobicContact CD2-CB 4.36Å; L30-C105 HydrophobicContact CD1-CB 3.88Å; L38-C105 HydrophobicContact CD1-CB 3.84Å; L101-C105 WeakPolarHBondContact O-CB 3.33Å; L101-C105 PolarHBondContact O-N 2.95Å; L101-C105 PolarHBondContact O-SG 3.18Å; E102-C105 PolarHBondContact O-N 3.33Å; T103-C105 VanDerWaalsContact C-N 3.34Å; T103-C105 PolarHBondContact O-N 2.85Å; C105-A109 WeakPolarHBondContact O-CB 3.26Å; C105-A109 PolarHBondContact O-N 3.47Å
106	L	98.9	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-44.4	177	-177.1	60.5	0	0	0	111.7	L16 L17 Y69 L72 L73 F76 E102 T103 I104 A109 Y110	L16-L106 HydrophobicContact CB-CD1 4.05Å; L16-L106 HydrophobicContact CD1-CB 4.1Å; L16-L106 HydrophobicContact CD1-CD1 4.18Å; L17-L106 HydrophobicContact CD2-CD1 4.14Å; L17-L106 HydrophobicContact CD2-CD2 4.06Å; Y69-L106 HydrophobicContact CE2-CB 4.05Å; Y69-L106 HydrophobicContact CE2-CD2 3.77Å; L72-L106 HydrophobicContact CD2-CD2 4.4Å; L73-L106 HydrophobicContact CD2-CD2 3.74Å; F76-L106 HydrophobicContact CD2-CD2 4.42Å; F76-L106 HydrophobicContact CE2-CD2 4.11Å; E102-L106 WeakPolarHBondContact O-CB 3.19Å; E102-L106 PolarHBondContact O-N 3.41Å; T103-L106 PolarHBondContact O-N 3.22Å; I104-L106 PolarHBondContact O-N 3.02Å; L106-A109 PolarHBondContact O-N 3.02Å; L106-Y110 HydrophobicContact CD1-CD2 3.91Å; L106-Y110 HydrophobicContact CD1-CE2 3.47Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.47Å; L106-Y110 HydrophobicContact CD2-CE2 4.08Å; L106-Y110 HydrophobicContact CG-CD2 3.89Å; L106-Y110 HydrophobicContact CG-CE2 3.64Å; L106-Y110 WeakPolarHBondContact O-CD2 3.47Å; L106-Y110 PolarHBondContact O-N 3.2Å
107	L	98.9	Very high	98.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-45.7	177.6	-65.3	176.9	0	0	0	111.7	L72 F76 F89 Y93 T103 I104 Y110 K111 F118 L120	L72-L107 HydrophobicContact CD1-CD2 4.23Å; L72-L107 HydrophobicContact CD2-CD2 3.97Å; L72-L107 HydrophobicContact CD2-CG 4.1Å; F76-L107 HydrophobicContact CZ-CD2 4.2Å; F89-L107 HydrophobicContact CD1-CD2 4.42Å; F89-L107 HydrophobicContact CD2-CD2 4.31Å; F89-L107 HydrophobicContact CE1-CD2 4.13Å; F89-L107 HydrophobicContact CE2-CD2 4.01Å; F89-L107 HydrophobicContact CZ-CD2 3.93Å; Y93-L107 HydrophobicContact CD1-CD1 3.29Å; Y93-L107 HydrophobicContact CE1-CD1 3.86Å; Y93-L107 HydrophobicContact CG-CD1 3.78Å; T103-L107 HydrophobicContact CG2-CD1 4.04Å; T103-L107 VanDerWaalsContact O-CG 3.3Å; T103-L107 WeakPolarHBondContact O-CG 3.39Å; T103-L107 PolarHBondContact O-N 3.23Å; T103-L107 VanDerWaalsContact O-N 3.14Å; I104-L107 PolarHBondContact O-N 2.95Å; L107-Y110 PolarHBondContact O-N 2.87Å; L107-K111 PolarHBondContact O-N 3.38Å; L107-F118 HydrophobicContact CB-CE1 4.38Å; L107-F118 HydrophobicContact CD2-CE1 4.04Å; L107-F118 HydrophobicContact CD2-CZ 3.63Å; L107-F118 WeakPolarHBondContact O-CE1 3.33Å; L107-L120 HydrophobicContact CB-CD1 3.9Å; L107-L120 HydrophobicContact CB-CD2 4.11Å; L107-L120 HydrophobicContact CD1-CD2 4.35Å; L107-L120 HydrophobicContact CD2-CD2 4.25Å; L107-L120 HydrophobicContact CG-CD2 4.47Å
108	L	98.9	Very high	98.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-65.7	-38.5	175.7	-64.9	-175.7	0	0	0	111.9	L38 F46 I104 K111 I112 L120 F152	L38-L108 HydrophobicContact CB-CB 4.37Å; F46-L108 HydrophobicContact CE2-CD2 3.89Å; F46-L108 HydrophobicContact CZ-CD2 3.87Å; I104-L108 HydrophobicContact CD1-CD2 4.28Å; I104-L108 HydrophobicContact CD1-CG 4.14Å; I104-L108 HydrophobicContact CG1-CD1 4.14Å; I104-L108 HydrophobicContact CG1-CG 4.08Å; I104-L108 WeakPolarHBondContact O-CB 3.28Å; I104-L108 VanDerWaalsContact O-CG 3.25Å; I104-L108 WeakPolarHBondContact O-CG 3.39Å; I104-L108 PolarHBondContact O-N 2.9Å; L108-K111 WeakPolarHBondContact O-CB 3.38Å; L108-K111 PolarHBondContact O-N 2.88Å; L108-I112 WeakPolarHBondContact O-CD1 3.4Å; L108-I112 VanDerWaalsContact O-CG1 3.25Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.15Å; L108-L120 HydrophobicContact CD2-CD1 4.21Å; L108-F152 HydrophobicContact CD1-CE1 4.25Å
109	A	98.9	Very high	98.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-43.5	177	0	0	0	0	0	111.6	L9 I13 L38 C105 L106 I112 K113	L9-A109 HydrophobicContact CD1-CB 3.86Å; I13-A109 HydrophobicContact CD1-CB 4.24Å; I13-A109 HydrophobicContact CG1-CB 3.69Å; L38-A109 HydrophobicContact CD2-CB 3.82Å; C105-A109 WeakPolarHBondContact O-CB 3.26Å; C105-A109 PolarHBondContact O-N 3.47Å; L106-A109 PolarHBondContact O-N 3.02Å; A109-I112 PolarHBondContact O-N 3.3Å; A109-K113 WeakPolarHBondContact O-CB 3.41Å; A109-K113 PolarHBondContact O-N 3.43Å
110	Y	98.9	Very high	98.9	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-37.5	173	-76.7	-45.5	0	0	0	112.9	I13 L17 F76 F81 P82 L106 L107 I112 K113 Y114 F118	I13-Y110 HydrophobicContact CD1-CD1 4.35Å; I13-Y110 HydrophobicContact CD1-CE1 4.48Å; I13-Y110 HydrophobicContact CG2-CE1 4.14Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.24Å; F76-Y110 HydrophobicContact CD2-CE2 4.34Å; F76-Y110 HydrophobicContact CE2-CD2 4.27Å; F76-Y110 AromaticContact CE2-CE2 3.92Å; F76-Y110 HydrophobicContact CE2-CE2 3.92Å; F76-Y110 HydrophobicContact CZ-CD2 4.23Å; F76-Y110 HydrophobicContact CZ-CE2 4.22Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.36Å; P82-Y110 HydrophobicContact CB-CD1 3.89Å; P82-Y110 HydrophobicContact CB-CE1 4.06Å; P82-Y110 HydrophobicContact CB-CG 4.22Å; P82-Y110 HydrophobicContact CG-CD1 4.11Å; P82-Y110 HydrophobicContact CG-CD2 4.01Å; P82-Y110 HydrophobicContact CG-CE1 4.21Å; P82-Y110 HydrophobicContact CG-CE2 4.09Å; P82-Y110 HydrophobicContact CG-CG 4.02Å; L106-Y110 HydrophobicContact CD1-CD2 3.91Å; L106-Y110 HydrophobicContact CD1-CE2 3.47Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.47Å; L106-Y110 HydrophobicContact CD2-CE2 4.08Å; L106-Y110 HydrophobicContact CG-CD2 3.89Å; L106-Y110 HydrophobicContact CG-CE2 3.64Å; L106-Y110 WeakPolarHBondContact O-CD2 3.47Å; L106-Y110 PolarHBondContact O-N 3.2Å; L107-Y110 PolarHBondContact O-N 2.87Å; Y110-I112 VanDerWaalsContact C-N 3.27Å; Y110-I112 PolarHBondContact O-N 3.3Å; Y110-K113 PolarHBondContact O-N 2.87Å; Y110-Y114 AromaticContact CD1-CD2 3.93Å; Y110-Y114 HydrophobicContact CD1-CD2 3.93Å; Y110-Y114 AromaticContact CD1-CE2 3.76Å; Y110-Y114 HydrophobicContact CD1-CE2 3.76Å; Y110-Y114 HydrophobicContact CE1-CE2 4.1Å; Y110-Y114 PolarHBondContact O-N 2.8Å; Y110-F118 HydrophobicContact CD2-CE2 4.26Å; Y110-F118 HydrophobicContact CD2-CZ 4.25Å; Y110-F118 HydrophobicContact CG-CE2 4.42Å
111	K	98.9	Very high	98.9	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-59.1	-40.3	173.2	-178.8	58.9	178.8	171	0	112.3	I45 F46 Q49 L107 L108 P115 F118 L120	I45-K111 HydrophobicContact CG2-CD 4.45Å; I45-K111 HydrophobicContact CG2-CG 4.48Å; F46-K111 HydrophobicContact CD1-CG 4.43Å; F46-K111 HydrophobicContact CE1-CD 4.01Å; F46-K111 HydrophobicContact CE1-CG 3.65Å; F46-K111 HydrophobicContact CZ-CG 3.94Å; Q49-K111 VanDerWaalsContact OE1-CE 3.3Å; L107-K111 PolarHBondContact O-N 3.38Å; L108-K111 WeakPolarHBondContact O-CB 3.38Å; L108-K111 PolarHBondContact O-N 2.88Å; K111-P115 PolarHBondContact NZ-O 3.19Å; K111-P115 VanDerWaalsContact O-CA 3.22Å; K111-P115 WeakPolarHBondContact O-CA 3.37Å; K111-F118 HydrophobicContact CB-CD1 4.34Å; K111-F118 WeakPolarHBondContact CD-O 3.17Å; K111-F118 PolarHBondContact NZ-O 2.86Å; K111-L120 HydrophobicContact CB-CD1 4.28Å
112	I	98.8	Very high	98.9	Very high	26 Å²	26	19.7 Å²	19.7	13%	0.133	10%	0.095	C	C	.	.	H	α-helix	trans	-71.8	-39	177.9	-61	157.2	0	0	0	111.1	L7 L9 L38 K41 I45 L108 A109 Y110	L7-I112 HydrophobicContact CD2-CD1 4.26Å; L9-I112 HydrophobicContact CD1-CB 4.3Å; L9-I112 HydrophobicContact CD1-CD1 4.41Å; L9-I112 HydrophobicContact CD1-CG2 4.42Å; L9-I112 HydrophobicContact CD2-CB 3.9Å; L9-I112 HydrophobicContact CD2-CG2 3.6Å; L38-I112 HydrophobicContact CB-CD1 4.37Å; L38-I112 HydrophobicContact CD2-CD1 3.72Å; K41-I112 HydrophobicContact CB-CD1 3.92Å; K41-I112 HydrophobicContact CB-CG1 4.17Å; K41-I112 HydrophobicContact CG-CD1 4.27Å; K41-I112 HydrophobicContact CG-CG1 4.08Å; K41-I112 HydrophobicContact CG-CG2 3.73Å; I45-I112 HydrophobicContact CD1-CB 4.21Å; I45-I112 HydrophobicContact CD1-CG1 4.04Å; I45-I112 HydrophobicContact CD1-CG2 4.33Å; L108-I112 WeakPolarHBondContact O-CD1 3.4Å; L108-I112 VanDerWaalsContact O-CG1 3.25Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.15Å; A109-I112 PolarHBondContact O-N 3.3Å; Y110-I112 VanDerWaalsContact C-N 3.27Å; Y110-I112 PolarHBondContact O-N 3.3Å
113	K	98.7	Very high	98.9	Very high	74 Å²	74	19.5 Å²	19.5	32%	0.322	9%	0.094	S	C	.	.	H	α-helix	trans	-72.6	-38.1	-176.7	-172.5	68.7	-178.4	-172.1	0	112.2	L9 D10 I13 A109 Y110	L9-K113 HydrophobicContact CD2-CB 3.74Å; L9-K113 HydrophobicContact CD2-CD 3.99Å; L9-K113 HydrophobicContact CD2-CG 4.45Å; D10-K113 WeakPolarHBondContact OD1-CE 3.16Å; D10-K113 IonicContact OD1-NZ 2.76Å; D10-K113 PolarHBondContact OD1-NZ 2.68Å; D10-K113 IonicContact OD2-NZ 3.03Å; D10-K113 PolarHBondContact OD2-NZ 2.67Å; I13-K113 HydrophobicContact CD1-CB 3.99Å; I13-K113 HydrophobicContact CD1-CG 4.16Å; A109-K113 WeakPolarHBondContact O-CB 3.41Å; A109-K113 PolarHBondContact O-N 3.43Å; Y110-K113 PolarHBondContact O-N 2.87Å
114	Y	98.8	Very high	98.9	Very high	52 Å²	52	19.7 Å²	19.7	20%	0.204	10%	0.095	C	C	.	.			trans	-132.3	63.4	-173.1	-50.2	-61.9	0	0	0	111	P82 P83 Y110 E116 N117 F118	P82-Y114 HydrophobicContact CB-CD2 3.66Å; P82-Y114 HydrophobicContact CB-CE2 3.79Å; P82-Y114 WeakPolarHBondContact O-CE2 3.28Å; P83-Y114 HydrophobicContact CB-CD1 3.88Å; P83-Y114 HydrophobicContact CB-CD2 4.49Å; P83-Y114 HydrophobicContact CB-CE1 3.82Å; P83-Y114 HydrophobicContact CB-CE2 4.42Å; P83-Y114 HydrophobicContact CB-CG 4.23Å; P83-Y114 WeakPolarHBondContact CD-OH 3.23Å; P83-Y114 HydrophobicContact CG-CD1 4.28Å; P83-Y114 HydrophobicContact CG-CE1 3.72Å; Y110-Y114 AromaticContact CD1-CD2 3.93Å; Y110-Y114 HydrophobicContact CD1-CD2 3.93Å; Y110-Y114 AromaticContact CD1-CE2 3.76Å; Y110-Y114 HydrophobicContact CD1-CE2 3.76Å; Y110-Y114 HydrophobicContact CE1-CE2 4.1Å; Y110-Y114 PolarHBondContact O-N 2.8Å; Y114-E116 PolarHBondContact O-N 3.49Å; Y114-E116 VanDerWaalsContact O-N 3.1Å; Y114-N117 PolarHBondContact O-N 2.89Å; Y114-N117 VanDerWaalsContact O-N 3.09Å; Y114-F118 WeakPolarHBondContact O-CB 3.28Å; Y114-F118 PolarHBondContact O-N 2.96Å
115	P	98.8	Very high	98.8	Very high	39 Å²	39	20.1 Å²	20.1	25%	0.253	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.9	-170.3	24	-34.4	0	0	0	114.2	I45 Q49 K111	I45-P115 HydrophobicContact CD1-CB 4.5Å; I45-P115 HydrophobicContact CG2-CB 3.94Å; Q49-P115 PolarHBondContact NE2-O 3.22Å; K111-P115 PolarHBondContact NZ-O 3.19Å; K111-P115 VanDerWaalsContact O-CA 3.22Å; K111-P115 WeakPolarHBondContact O-CA 3.37Å
116	E	98.6	Very high	98.8	Very high	125 Å²	125	20 Å²	20	58%	0.584	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	4.2	-178.3	-52.5	-49.7	131.9	0	0	113.5	Q49 Y114 F119	Q49-E116 PolarHBondContact NE2-OE1 2.98Å; Y114-E116 PolarHBondContact O-N 3.49Å; Y114-E116 VanDerWaalsContact O-N 3.1Å; E116-F119 VanDerWaalsContact C-CZ 3.45Å; E116-F119 VanDerWaalsContact O-CZ 3.31Å; E116-F119 WeakPolarHBondContact O-CZ 3.48Å
117	N	98.6	Very high	98.8	Very high	61 Å²	61	20.1 Å²	20.1	33%	0.326	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-7.1	179.1	-57.3	94.5	0	0	0	112.6	N86 Y87 Y114	N86-N117 CarbonylContact C-O 3.52Å; N86-N117 WeakPolarHBondContact CA-O 3.37Å; N86-N117 VanDerWaalsContact OD1-CB 3.26Å; N86-N117 WeakPolarHBondContact OD1-CB 3.35Å; N86-N117 PolarHBondContact OD1-ND2 2.98Å; Y87-N117 PolarHBondContact N-O 2.9Å; Y114-N117 PolarHBondContact O-N 2.89Å; Y114-N117 VanDerWaalsContact O-N 3.09Å
118	F	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.7	-176.1	-161.2	-91.1	0	0	0	110.2	F76 P82 Y87 F89 L107 Y110 K111 Y114 L120	F76-F118 AromaticContact CE1-CE2 3.96Å; F76-F118 HydrophobicContact CE1-CE2 3.96Å; F76-F118 HydrophobicContact CE1-CZ 4.44Å; F76-F118 AromaticContact CZ-CE2 3.92Å; F76-F118 HydrophobicContact CZ-CE2 3.92Å; F76-F118 AromaticContact CZ-CZ 3.98Å; F76-F118 HydrophobicContact CZ-CZ 3.98Å; P82-F118 HydrophobicContact CB-CD2 4.18Å; P82-F118 HydrophobicContact CG-CD2 3.65Å; P82-F118 HydrophobicContact CG-CE2 3.64Å; Y87-F118 HydrophobicContact CD2-CD2 4.24Å; Y87-F118 HydrophobicContact CD2-CE2 4.18Å; Y87-F118 HydrophobicContact CG-CD2 4.32Å; Y87-F118 HydrophobicContact CG-CE2 4.08Å; F89-F118 HydrophobicContact CD2-CE1 4.47Å; F89-F118 HydrophobicContact CD2-CE2 4.44Å; F89-F118 AromaticContact CD2-CZ 3.95Å; F89-F118 HydrophobicContact CD2-CZ 3.95Å; F89-F118 HydrophobicContact CE2-CE1 4.42Å; F89-F118 AromaticContact CE2-CE2 3.77Å; F89-F118 HydrophobicContact CE2-CE2 3.77Å; F89-F118 AromaticContact CE2-CZ 3.5Å; F89-F118 HydrophobicContact CE2-CZ 3.5Å; F89-F118 VanDerWaalsContact CE2-CZ 3.5Å; F89-F118 HydrophobicContact CZ-CZ 4.39Å; L107-F118 HydrophobicContact CB-CE1 4.38Å; L107-F118 HydrophobicContact CD2-CE1 4.04Å; L107-F118 HydrophobicContact CD2-CZ 3.63Å; L107-F118 WeakPolarHBondContact O-CE1 3.33Å; Y110-F118 HydrophobicContact CD2-CE2 4.26Å; Y110-F118 HydrophobicContact CD2-CZ 4.25Å; Y110-F118 HydrophobicContact CG-CE2 4.42Å; K111-F118 HydrophobicContact CB-CD1 4.34Å; K111-F118 WeakPolarHBondContact CD-O 3.17Å; K111-F118 PolarHBondContact NZ-O 2.86Å; Y114-F118 WeakPolarHBondContact O-CB 3.28Å; Y114-F118 PolarHBondContact O-N 2.96Å; F118-L120 HydrophobicContact CD1-CD2 4.42Å; F118-L120 HydrophobicContact CD1-CG 4.36Å; F118-L120 HydrophobicContact CE1-CD1 4.33Å; F118-L120 HydrophobicContact CE1-CD2 3.72Å; F118-L120 HydrophobicContact CE1-CG 4.06Å; F118-L120 HydrophobicContact CZ-CD2 4.42Å
119	F	98.9	Very high	98.7	Very high	21 Å²	21	24.4 Å²	24.4	9%	0.092	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.1	-170	-55.8	-82.9	0	0	0	110.8	L53 L55 Y87 L88 F89 E116	L53-F119 HydrophobicContact CD1-CB 4.02Å; L53-F119 HydrophobicContact CD1-CD1 3.91Å; L53-F119 HydrophobicContact CD1-CG 4.29Å; L55-F119 HydrophobicContact CD1-CB 4.36Å; L55-F119 HydrophobicContact CD1-CD2 4.09Å; L55-F119 HydrophobicContact CD1-CG 4.11Å; L55-F119 HydrophobicContact CD2-CD1 3.74Å; L55-F119 HydrophobicContact CD2-CD2 3.9Å; L55-F119 HydrophobicContact CD2-CE1 3.53Å; L55-F119 HydrophobicContact CD2-CE2 3.7Å; L55-F119 HydrophobicContact CD2-CG 3.92Å; L55-F119 HydrophobicContact CD2-CZ 3.51Å; Y87-F119 WeakPolarHBondContact O-CD2 3.29Å; Y87-F119 PolarHBondContact O-N 2.81Å; L88-F119 WeakPolarHBondContact CA-O 3.37Å; L88-F119 HydrophobicContact CD1-CB 3.7Å; F89-F119 PolarHBondContact N-O 2.83Å; E116-F119 VanDerWaalsContact C-CZ 3.45Å; E116-F119 VanDerWaalsContact O-CZ 3.31Å; E116-F119 WeakPolarHBondContact O-CZ 3.48Å
120	L	99	Very high	98.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	115.5	-175.7	-63.2	176.7	0	0	0	107.8	F46 F89 Y93 L107 L108 K111 F118 L159 P160	F46-L120 HydrophobicContact CE1-CB 4.3Å; F46-L120 HydrophobicContact CZ-CB 4.46Å; F46-L120 HydrophobicContact CZ-CD1 4.15Å; F89-L120 HydrophobicContact CB-CD2 3.78Å; F89-L120 HydrophobicContact CD2-CD2 3.87Å; F89-L120 HydrophobicContact CG-CD2 3.99Å; Y93-L120 HydrophobicContact CE1-CD2 3.97Å; Y93-L120 HydrophobicContact CE2-CB 4.46Å; Y93-L120 WeakPolarHBondContact OH-CA 3.22Å; Y93-L120 WeakPolarHBondContact OH-CB 3.36Å; L107-L120 HydrophobicContact CB-CD1 3.9Å; L107-L120 HydrophobicContact CB-CD2 4.11Å; L107-L120 HydrophobicContact CD1-CD2 4.35Å; L107-L120 HydrophobicContact CD2-CD2 4.25Å; L107-L120 HydrophobicContact CG-CD2 4.47Å; L108-L120 HydrophobicContact CD2-CD1 4.21Å; K111-L120 HydrophobicContact CB-CD1 4.28Å; F118-L120 HydrophobicContact CD1-CD2 4.42Å; F118-L120 HydrophobicContact CD1-CG 4.36Å; F118-L120 HydrophobicContact CE1-CD1 4.33Å; F118-L120 HydrophobicContact CE1-CD2 3.72Å; F118-L120 HydrophobicContact CE1-CG 4.06Å; F118-L120 HydrophobicContact CZ-CD2 4.42Å; L120-L159 HydrophobicContact CB-CD2 4.05Å; L120-P160 VanDerWaalsContact O-CD 3.26Å; L120-P160 WeakPolarHBondContact O-CD 3.34Å; L120-P160 WeakPolarHBondContact O-CG 3.37Å
121	L	98.9	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.			trans	-83.4	171.1	169.7	-59	-173.1	0	0	0	110.9	L53 L88 F89 L90 Y93 P160 A163 C171	L53-L121 HydrophobicContact CD1-CD2 3.95Å; L88-L121 HydrophobicContact CD1-CD1 4.27Å; L88-L121 HydrophobicContact CD1-CD2 4.1Å; L88-L121 HydrophobicContact CD1-CG 3.8Å; F89-L121 WeakPolarHBondContact O-CB 3.41Å; F89-L121 PolarHBondContact O-N 3.24Å; L90-L121 HydrophobicContact CD2-CD1 3.85Å; Y93-L121 WeakPolarHBondContact CE2-O 3.3Å; Y93-L121 VanDerWaalsContact CZ-O 3.3Å; Y93-L121 PolarHBondContact OH-N 3Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 2.9Å; L121-P160 CarbonylContact C-O 3.55Å; L121-P160 WeakPolarHBondContact CA-O 3.25Å; L121-P160 HydrophobicContact CD2-CB 4.28Å; L121-P160 HydrophobicContact CD2-CG 4.1Å; L121-A163 HydrophobicContact CD1-CB 4.47Å; L121-A163 HydrophobicContact CD2-CB 4.28Å; L121-C171 HydrophobicContact CD1-CB 4.26Å
122	R	98.9	Very high	98.6	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.15	C	C	.	.			trans	-92.7	124.4	175.4	-160.6	177.2	-175.9	172.9	4.5	110.5	E126 F156 N157 L159 P160 I161 H173 T193 L205	R122-E126 HydrophobicContact CG-CB 3.83Å; R122-E126 PolarHBondContact NE-O 3.25Å; R122-E126 PolarHBondContact NH2-O 2.88Å; R122-F156 PolarHBondContact NE-O 3.38Å; R122-N157 PolarHBondContact NH2-OD1 3.41Å; R122-L159 HydrophobicContact CB-CB 3.71Å; R122-L159 HydrophobicContact CB-CD1 4.31Å; R122-L159 HydrophobicContact CG-CB 4.01Å; R122-L159 HydrophobicContact CG-CD1 4.1Å; R122-P160 PolarHBondContact N-O 2.89Å; R122-I161 HydrophobicContact CB-CD1 3.72Å; R122-I161 HydrophobicContact CG-CD1 4.34Å; R122-H173 WeakPolarHBondContact O-CB 3.42Å; R122-T193 PolarHBondContact NH1-O 3.35Å; R122-L205 HydrophobicContact CG-CD2 4.16Å
123	G	98.9	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.			trans	-91.7	174.8	165.5	0	0	0	0	0	112.2	D92 H125 E126 H173 L205	D92-G123 WeakPolarHBondContact OD1-CA 3.33Å; G123-H125 PolarHBondContact O-N 2.91Å; G123-E126 VanDerWaalsContact CA-OE2 3.24Å; G123-E126 WeakPolarHBondContact CA-OE2 3.35Å; G123-E126 PolarHBondContact N-OE2 2.9Å; G123-E126 PolarHBondContact O-N 3.09Å; G123-H173 VanDerWaalsContact CA-CG 3.42Å; G123-L205 WeakPolarHBondContact O-CD2 3.34Å
124	N	98.8	Very high	98.5	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.7	179	66.7	-64.6	0	0	0	112.5	D92 E126 C127 H173 L205 W206 H248	D92-N124 PolarHBondContact OD1-N 2.8Å; D92-N124 PolarHBondContact OD1-OD1 3.2Å; D92-N124 PolarHBondContact OD2-OD1 3.11Å; N124-E126 VanDerWaalsContact C-N 3.33Å; N124-C127 PolarHBondContact O-SG 2.84Å; N124-H173 PolarHBondContact OD1-CD2 2.72Å; N124-H173 PolarHBondContact OD1-NE2 3.22Å; N124-L205 HydrophobicContact CB-CB 4.27Å; N124-W206 HydrophobicContact CB-CD2 3.87Å; N124-W206 VanDerWaalsContact CB-CE2 3.46Å; N124-W206 HydrophobicContact CB-CE3 4.43Å; N124-W206 HydrophobicContact CB-CG 4.33Å; N124-W206 HydrophobicContact CB-CH2 4.33Å; N124-W206 HydrophobicContact CB-CZ2 3.73Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.48Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.16Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.2Å; N124-H248 PolarHBondContact OD1-CE1 3.41Å; N124-H248 PolarHBondContact OD1-ND1 2.87Å
125	H	98.8	Very high	98.4	Very high	11 Å²	11	33.6 Å²	33.6	5%	0.051	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.3	173	-77.3	-101.3	0	0	0	113.6	H66 D92 V94 D95 G123 C127 I130 N131	H66-H125 AromaticContact CE1-CD2 3.62Å; H66-H125 AromaticContact CE1-CG 3.82Å; H66-H125 AromaticContact CE1-NE2 3.8Å; D92-H125 WeakPolarHBondContact OD1-CB 3.49Å; D92-H125 IonicContact OD1-CD2 3.67Å; D92-H125 IonicContact OD1-CG 2.72Å; D92-H125 PolarHBondContact OD1-N 3.29Å; D92-H125 IonicContact OD2-CD2 3.86Å; D92-H125 PolarHBondContact OD2-CD2 2.88Å; D92-H125 IonicContact OD2-CG 3.3Å; V94-H125 HydrophobicContact CG2-CB 4.44Å; D95-H125 VanDerWaalsContact CB-ND1 3.33Å; D95-H125 WeakPolarHBondContact CB-ND1 3.27Å; D95-H125 IonicContact OD2-CE1 3.86Å; D95-H125 IonicContact OD2-CG 3.4Å; D95-H125 IonicContact OD2-ND1 2.66Å; D95-H125 PolarHBondContact OD2-ND1 2.84Å; G123-H125 PolarHBondContact O-N 2.91Å; H125-C127 PolarHBondContact O-N 3.44Å; H125-I130 HydrophobicContact CB-CG2 4.34Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.48Å; H125-N131 WeakPolarHBondContact O-CB 3.12Å; H125-N131 PolarHBondContact O-ND2 2.85Å
126	E	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-83.4	40.5	171	-75.1	74.9	-129	0	0	112.4	D92 Y93 R122 G123 N124 F156 L159	D92-E126 PolarHBondContact N-OE2 2.97Å; Y93-E126 HydrophobicContact CD2-CG 3.73Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.28Å; Y93-E126 HydrophobicContact CE2-CG 4.12Å; Y93-E126 PolarHBondContact N-OE1 2.83Å; R122-E126 HydrophobicContact CG-CB 3.83Å; R122-E126 PolarHBondContact NE-O 3.25Å; R122-E126 PolarHBondContact NH2-O 2.88Å; G123-E126 VanDerWaalsContact CA-OE2 3.24Å; G123-E126 WeakPolarHBondContact CA-OE2 3.35Å; G123-E126 PolarHBondContact N-OE2 2.9Å; G123-E126 PolarHBondContact O-N 3.09Å; N124-E126 VanDerWaalsContact C-N 3.33Å; E126-F156 HydrophobicContact CB-CB 4.02Å; E126-F156 HydrophobicContact CB-CD1 4.28Å; E126-F156 HydrophobicContact CB-CD2 4.21Å; E126-F156 HydrophobicContact CB-CG 3.93Å; E126-F156 HydrophobicContact CG-CD1 3.9Å; E126-F156 HydrophobicContact CG-CD2 4.27Å; E126-F156 HydrophobicContact CG-CE1 4.09Å; E126-F156 HydrophobicContact CG-CE2 4.43Å; E126-F156 HydrophobicContact CG-CG 4.01Å; E126-F156 HydrophobicContact CG-CZ 4.35Å; E126-F156 WeakPolarHBondContact O-CB 3.43Å; E126-L159 HydrophobicContact CB-CD1 3.96Å; E126-L159 HydrophobicContact CG-CD1 3.82Å
127	C	97.3	Very high	98.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	14%	0.141	C	C	.	.	S	Bend	trans	-135.6	151.8	170.4	81.8	0	0	0	0	111.7	N124 H125 S129 I130 N131 V195	N124-C127 PolarHBondContact O-SG 2.84Å; H125-C127 PolarHBondContact O-N 3.44Å; C127-S129 PolarHBondContact O-N 2.99Å; C127-S129 PolarHBondContact SG-OG 2.8Å; C127-S129 VanDerWaalsContact SG-OG 3.35Å; C127-I130 PolarHBondContact O-N 2.91Å; C127-I130 WeakPolarHBondContact SG-CG1 3.44Å; C127-N131 PolarHBondContact O-N 2.77Å; C127-N131 VanDerWaalsContact O-N 3.11Å; C127-N131 PolarHBondContact O-ND2 3.09Å; C127-N131 PolarHBondContact O-OD1 3.1Å; C127-V195 HydrophobicContact CB-CB 4.04Å; C127-V195 HydrophobicContact CB-CG2 3.66Å
128	A	98.2	Very high	98.5	Very high	19 Å²	19	27.7 Å²	27.7	16%	0.157	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-36.6	-169.9	0	0	0	0	0	113	I130 R132 W149 T153	A128-I130 VanDerWaalsContact C-N 3.34Å; A128-I130 PolarHBondContact O-N 2.92Å; A128-R132 WeakPolarHBondContact O-CB 3.09Å; A128-R132 PolarHBondContact O-N 2.76Å; A128-R132 VanDerWaalsContact O-N 3.12Å; A128-W149 HydrophobicContact CB-CH2 3.99Å; A128-W149 HydrophobicContact CB-CZ2 3.88Å; A128-T153 HydrophobicContact CB-CG2 3.85Å
129	S	97.3	Very high	98.4	Very high	74 Å²	74	28.1 Å²	28.1	52%	0.517	15%	0.147	S	C	.	.	H	α-helix	trans	-64	-38.9	-178.1	51.9	0	0	0	0	112.2	C127	C127-S129 PolarHBondContact O-N 2.99Å; C127-S129 PolarHBondContact SG-OG 2.8Å; C127-S129 VanDerWaalsContact SG-OG 3.35Å
130	I	98.4	Very high	98.4	Very high	22 Å²	22	27.1 Å²	27.1	11%	0.113	14%	0.143	C	C	.	.	H	α-helix	trans	-79.8	-54.9	-178.9	-62.1	-57.9	0	0	0	111	H125 C127 A128 R132 I133 Y134 W206	H125-I130 HydrophobicContact CB-CG2 4.34Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.48Å; C127-I130 PolarHBondContact O-N 2.91Å; C127-I130 WeakPolarHBondContact SG-CG1 3.44Å; A128-I130 VanDerWaalsContact C-N 3.34Å; A128-I130 PolarHBondContact O-N 2.92Å; I130-R132 PolarHBondContact O-N 3.12Å; I130-R132 VanDerWaalsContact O-N 3.08Å; I130-I133 VanDerWaalsContact O-CG1 3.22Å; I130-I133 WeakPolarHBondContact O-CG1 3.48Å; I130-I133 PolarHBondContact O-N 3.28Å; I130-Y134 HydrophobicContact CD1-CE2 4.42Å; I130-Y134 HydrophobicContact CG2-CD2 3.65Å; I130-Y134 HydrophobicContact CG2-CE2 4.14Å; I130-Y134 WeakPolarHBondContact O-CD2 3.47Å; I130-Y134 PolarHBondContact O-N 3.29Å; I130-W206 HydrophobicContact CD1-CH2 3.7Å; I130-W206 HydrophobicContact CD1-CZ2 3.61Å; I130-W206 HydrophobicContact CG1-CH2 4.22Å; I130-W206 HydrophobicContact CG1-CZ2 3.76Å
131	N	98.6	Very high	98.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-75.7	-2.6	-175	72.8	36.3	0	0	0	114.6	V94 D95 H125 C127 I133 F136 Y137 W149	V94-N131 HydrophobicContact CG2-CB 4.2Å; D95-N131 WeakPolarHBondContact OD1-CA 3.25Å; D95-N131 WeakPolarHBondContact OD2-CA 3.27Å; D95-N131 WeakPolarHBondContact OD2-CB 3.41Å; H125-N131 WeakPolarHBondContact O-CB 3.12Å; H125-N131 PolarHBondContact O-ND2 2.85Å; C127-N131 PolarHBondContact O-N 2.77Å; C127-N131 VanDerWaalsContact O-N 3.11Å; C127-N131 PolarHBondContact O-ND2 3.09Å; C127-N131 PolarHBondContact O-OD1 3.1Å; N131-I133 VanDerWaalsContact C-N 3.32Å; N131-F136 HydrophobicContact CB-CB 3.92Å; N131-F136 HydrophobicContact CB-CD1 4.4Å; N131-Y137 WeakPolarHBondContact O-CB 3.47Å; N131-Y137 PolarHBondContact O-N 2.73Å; N131-W149 PolarHBondContact OD1-NE1 2.73Å
132	R	98.2	Very high	98.4	Very high	99 Å²	99	40.4 Å²	40.4	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.3	165.3	178.5	60.7	-174.2	85.4	-1.7	112.9	A128 I130 Y137 W149	A128-R132 WeakPolarHBondContact O-CB 3.09Å; A128-R132 PolarHBondContact O-N 2.76Å; A128-R132 VanDerWaalsContact O-N 3.12Å; I130-R132 PolarHBondContact O-N 3.12Å; I130-R132 VanDerWaalsContact O-N 3.08Å; R132-Y137 VanDerWaalsContact CD-CD2 3.4Å; R132-Y137 VanDerWaalsContact CD-CG 3.47Å; R132-W149 HydrophobicContact CB-CZ2 4.21Å
133	I	97.6	Very high	98.4	Very high	109 Å²	109	42.4 Å²	42.4	56%	0.559	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-20.2	-169.4	59.6	170.1	0	0	0	113.7	I130 N131	I130-I133 VanDerWaalsContact O-CG1 3.22Å; I130-I133 WeakPolarHBondContact O-CG1 3.48Å; I130-I133 PolarHBondContact O-N 3.28Å; N131-I133 VanDerWaalsContact C-N 3.32Å
134	Y	97.7	Very high	98.3	Very high	92 Å²	92	44.6 Å²	44.6	36%	0.361	21%	0.212	S	C	.	.	S	Bend	trans	-99.3	6.7	-176.6	-67.9	-67.7	0	0	0	115.4	D95 R96 I130	D95-Y134 WeakPolarHBondContact CB-O 3.35Å; D95-Y134 VanDerWaalsContact OD1-C 3.23Å; R96-Y134 PolarHBondContact N-O 3.18Å; I130-Y134 HydrophobicContact CD1-CE2 4.42Å; I130-Y134 HydrophobicContact CG2-CD2 3.65Å; I130-Y134 HydrophobicContact CG2-CE2 4.14Å; I130-Y134 WeakPolarHBondContact O-CD2 3.47Å; I130-Y134 PolarHBondContact O-N 3.29Å
135	G	98.1	Very high	98.3	Very high	28 Å²	28	46.7 Å²	46.7	29%	0.289	22%	0.223	S	C	.	.	S	Bend	trans	132.5	-28.6	160	0	0	0	0	0	116.1	D95 Y137 D138 E139	D95-G135 PolarHBondContact OD1-N 3.2Å; D95-G135 VanDerWaalsContact OD1-N 3.14Å; G135-Y137 PolarHBondContact O-N 3.44Å; G135-D138 PolarHBondContact O-N 3.33Å; G135-E139 PolarHBondContact O-N 3.12Å
136	F	98.8	Very high	98.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-40.4	-172	-173.6	-126.1	0	0	0	113	V94 D95 L101 I104 N131 D138 E139 C140 W149 F152 F156	V94-F136 HydrophobicContact CB-CB 4.03Å; V94-F136 HydrophobicContact CB-CD1 4.32Å; V94-F136 HydrophobicContact CB-CD2 3.83Å; V94-F136 HydrophobicContact CB-CE2 4.33Å; V94-F136 HydrophobicContact CB-CG 3.8Å; V94-F136 HydrophobicContact CG1-CD1 4.32Å; V94-F136 HydrophobicContact CG1-CD2 3.77Å; V94-F136 HydrophobicContact CG1-CE1 4.31Å; V94-F136 HydrophobicContact CG1-CE2 3.75Å; V94-F136 HydrophobicContact CG1-CG 4.06Å; V94-F136 HydrophobicContact CG1-CZ 4.03Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.18Å; V94-F136 HydrophobicContact CG2-CG 4.03Å; D95-F136 WeakPolarHBondContact OD1-CB 3.32Å; D95-F136 PolarHBondContact OD1-N 3.03Å; L101-F136 HydrophobicContact CD2-CE2 3.91Å; L101-F136 HydrophobicContact CD2-CZ 4.31Å; L101-F136 HydrophobicContact CG-CE2 4.15Å; I104-F136 HydrophobicContact CG2-CE2 4.28Å; I104-F136 HydrophobicContact CG2-CZ 4.23Å; N131-F136 HydrophobicContact CB-CB 3.92Å; N131-F136 HydrophobicContact CB-CD1 4.4Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 2.98Å; F136-E139 PolarHBondContact O-N 3.26Å; F136-C140 WeakPolarHBondContact O-CB 3.39Å; F136-C140 PolarHBondContact O-N 3.25Å; F136-C140 PolarHBondContact O-SG 3Å; F136-W149 AromaticContact CD1-CD1 3.82Å; F136-F152 HydrophobicContact CE1-CB 3.69Å; F136-F152 HydrophobicContact CE1-CD1 4.38Å; F136-F152 AromaticContact CE1-CD2 3.94Å; F136-F152 HydrophobicContact CE1-CD2 3.94Å; F136-F152 AromaticContact CE1-CG 3.77Å; F136-F152 HydrophobicContact CE1-CG 3.77Å; F136-F152 HydrophobicContact CZ-CB 4.07Å; F136-F152 AromaticContact CZ-CD1 3.96Å; F136-F152 HydrophobicContact CZ-CD1 3.96Å; F136-F152 AromaticContact CZ-CD2 3.55Å; F136-F152 HydrophobicContact CZ-CD2 3.55Å; F136-F152 HydrophobicContact CZ-CE1 4.23Å; F136-F152 AromaticContact CZ-CE2 3.84Å; F136-F152 HydrophobicContact CZ-CE2 3.84Å; F136-F152 AromaticContact CZ-CG 3.6Å; F136-F152 HydrophobicContact CZ-CG 3.6Å; F136-F152 HydrophobicContact CZ-CZ 4.16Å; F136-F156 HydrophobicContact CD1-CE2 4.14Å; F136-F156 AromaticContact CE1-CE2 3.67Å; F136-F156 HydrophobicContact CE1-CE2 3.67Å; F136-F156 AromaticContact CE1-CZ 3.9Å; F136-F156 HydrophobicContact CE1-CZ 3.9Å; F136-F156 HydrophobicContact CZ-CE2 4.46Å; F136-F156 HydrophobicContact CZ-CZ 4.25Å
137	Y	98.8	Very high	98.3	Very high	21 Å²	21	55.7 Å²	55.7	8%	0.082	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-46.8	173.2	171.2	-85.8	0	0	0	111.7	N131 R132 G135 E139 C140 K141 I146 W149	N131-Y137 WeakPolarHBondContact O-CB 3.47Å; N131-Y137 PolarHBondContact O-N 2.73Å; R132-Y137 VanDerWaalsContact CD-CD2 3.4Å; R132-Y137 VanDerWaalsContact CD-CG 3.47Å; G135-Y137 PolarHBondContact O-N 3.44Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; Y137-C140 PolarHBondContact O-N 3.01Å; Y137-K141 HydrophobicContact CE1-CB 4.45Å; Y137-K141 HydrophobicContact CE1-CD 3.87Å; Y137-K141 VanDerWaalsContact O-CB 3.3Å; Y137-K141 WeakPolarHBondContact O-CB 3.01Å; Y137-K141 PolarHBondContact O-N 2.86Å; Y137-I146 HydrophobicContact CE2-CG1 4.19Å; Y137-I146 HydrophobicContact CE2-CG2 4.02Å; Y137-I146 VanDerWaalsContact OH-CD1 3.27Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.44Å; Y137-W149 AromaticContact CD2-CD2 3.55Å; Y137-W149 HydrophobicContact CD2-CD2 3.55Å; Y137-W149 AromaticContact CD2-CE2 3.8Å; Y137-W149 AromaticContact CD2-CE3 3.73Å; Y137-W149 HydrophobicContact CD2-CE3 3.73Å; Y137-W149 AromaticContact CD2-CG 3.9Å; Y137-W149 HydrophobicContact CD2-CG 3.9Å; Y137-W149 HydrophobicContact CD2-CH2 4.38Å; Y137-W149 HydrophobicContact CD2-CZ2 4.21Å; Y137-W149 HydrophobicContact CD2-CZ3 4.15Å; Y137-W149 HydrophobicContact CE2-CD2 4.31Å; Y137-W149 HydrophobicContact CE2-CE3 4.05Å; Y137-W149 HydrophobicContact CE2-CZ3 4.35Å; Y137-W149 HydrophobicContact CG-CD2 4.5Å
138	D	98.6	Very high	98.4	Very high	80 Å²	80	55.7 Å²	55.7	43%	0.428	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-35.4	-179	-72.2	-37.4	0	0	0	111.2	G135 F136 R142	G135-D138 PolarHBondContact O-N 3.33Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 2.98Å; D138-R142 WeakPolarHBondContact O-CB 3.43Å; D138-R142 PolarHBondContact O-N 2.86Å
139	E	98.7	Very high	98.4	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-49.2	172.3	-164.5	-175.8	152.9	0	0	111.6	S100 L101 G135 F136 Y137 R142 R143	S100-E139 WeakPolarHBondContact CB-OE2 3.36Å; S100-E139 PolarHBondContact N-OE1 2.87Å; S100-E139 PolarHBondContact N-OE2 3.4Å; S100-E139 PolarHBondContact OG-OE2 3.35Å; L101-E139 WeakPolarHBondContact CB-OE1 3.43Å; L101-E139 HydrophobicContact CD1-CG 3.78Å; L101-E139 WeakPolarHBondContact CD1-OE1 3.13Å; L101-E139 HydrophobicContact CG-CG 4.26Å; L101-E139 WeakPolarHBondContact CG-OE1 3.31Å; L101-E139 PolarHBondContact N-OE1 2.99Å; L101-E139 VanDerWaalsContact N-OE1 3.16Å; G135-E139 PolarHBondContact O-N 3.12Å; F136-E139 PolarHBondContact O-N 3.26Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; E139-R142 PolarHBondContact O-N 3.47Å; E139-R143 WeakPolarHBondContact O-CB 3.48Å; E139-R143 PolarHBondContact O-N 3.23Å; E139-R143 IonicContact OE1-NH1 3.79Å; E139-R143 PolarHBondContact OE1-NH1 3.02Å; E139-R143 VanDerWaalsContact OE1-NH1 3.14Å
140	C	98.7	Very high	98.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-48.6	175.6	-70.6	0	0	0	0	111.8	F136 Y137 R142 Y144 N145 W149	F136-C140 WeakPolarHBondContact O-CB 3.39Å; F136-C140 PolarHBondContact O-N 3.25Å; F136-C140 PolarHBondContact O-SG 3Å; Y137-C140 PolarHBondContact O-N 3.01Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 3.22Å; C140-Y144 CarbonylContact O-C 3.27Å; C140-Y144 VanDerWaalsContact O-C 3.27Å; C140-Y144 WeakPolarHBondContact O-CA 3.22Å; C140-Y144 PolarHBondContact O-N 2.98Å; C140-N145 PolarHBondContact O-N 3.24Å; C140-N145 VanDerWaalsContact O-N 3.07Å; C140-W149 HydrophobicContact CB-CB 3.75Å
141	K	98.4	Very high	98.5	Very high	112 Å²	112	58.2 Å²	58.2	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-39.9	-179.4	179.8	-179	174.7	-172.5	0	112	Y137 I146	Y137-K141 HydrophobicContact CE1-CB 4.45Å; Y137-K141 HydrophobicContact CE1-CD 3.87Å; Y137-K141 VanDerWaalsContact O-CB 3.3Å; Y137-K141 WeakPolarHBondContact O-CB 3.01Å; Y137-K141 PolarHBondContact O-N 2.86Å; K141-I146 HydrophobicContact CB-CG1 4.35Å; K141-I146 HydrophobicContact CD-CD1 4.41Å; K141-I146 HydrophobicContact CD-CG1 4.33Å; K141-I146 HydrophobicContact CG-CG1 4.12Å
142	R	98.4	Very high	98.5	Very high	167 Å²	167	58.2 Å²	58.2	63%	0.63	26%	0.263	S	S	*	.	H	α-helix	trans	-74.1	-39.6	-178	178.9	176.4	54.9	75.3	0	112.8	D138 E139 C140	D138-R142 WeakPolarHBondContact O-CB 3.43Å; D138-R142 PolarHBondContact O-N 2.86Å; E139-R142 PolarHBondContact O-N 3.47Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 3.22Å
143	R	98.4	Very high	98.5	Very high	43 Å²	43	54.3 Å²	54.3	16%	0.162	25%	0.25	C	C	.	.	H	α-helix	trans	-93.8	-25.1	-174.6	-69	179.5	57.7	-179.8	7.3	113.8	V28 L101 E102 E139	V28-R143 PolarHBondContact O-NH2 2.97Å; L101-R143 HydrophobicContact CD1-CB 4.11Å; E102-R143 VanDerWaalsContact CD-NH1 3.25Å; E102-R143 IonicContact OE1-CZ 3.14Å; E102-R143 VanDerWaalsContact OE1-CZ 3.3Å; E102-R143 IonicContact OE1-NH1 3.72Å; E102-R143 PolarHBondContact OE1-NH1 2.74Å; E102-R143 IonicContact OE1-NH2 2.74Å; E102-R143 PolarHBondContact OE1-NH2 2.8Å; E102-R143 IonicContact OE2-CZ 3.61Å; E102-R143 IonicContact OE2-NH1 2.72Å; E102-R143 PolarHBondContact OE2-NH1 3.3Å; E102-R143 IonicContact OE2-NH2 3.46Å; E139-R143 WeakPolarHBondContact O-CB 3.48Å; E139-R143 PolarHBondContact O-N 3.23Å; E139-R143 IonicContact OE1-NH1 3.79Å; E139-R143 PolarHBondContact OE1-NH1 3.02Å; E139-R143 VanDerWaalsContact OE1-NH1 3.14Å
144	Y	98.5	Very high	98.6	Very high	46 Å²	46	53.4 Å²	53.4	18%	0.18	25%	0.246	C	C	.	.	S	Bend	trans	-138.2	-106.8	-177.2	-61.8	-84.1	0	0	0	109.1	L30 E32 I35 L101 C140 L148	L30-Y144 VanDerWaalsContact O-CE1 3.28Å; L30-Y144 WeakPolarHBondContact O-CE1 3.35Å; L30-Y144 PolarHBondContact O-OH 3.33Å; E32-Y144 HydrophobicContact CB-CD1 4.2Å; I35-Y144 HydrophobicContact CD1-CD1 4.46Å; I35-Y144 HydrophobicContact CD1-CD2 4.32Å; I35-Y144 HydrophobicContact CD1-CE1 3.8Å; I35-Y144 HydrophobicContact CD1-CE2 3.66Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.4Å; L101-Y144 HydrophobicContact CD1-CD2 3.87Å; L101-Y144 HydrophobicContact CD1-CE2 3.8Å; C140-Y144 CarbonylContact O-C 3.27Å; C140-Y144 VanDerWaalsContact O-C 3.27Å; C140-Y144 WeakPolarHBondContact O-CA 3.22Å; C140-Y144 PolarHBondContact O-N 2.98Å; Y144-L148 VanDerWaalsContact CB-CD2 3.5Å; Y144-L148 HydrophobicContact CD1-CD2 3.96Å; Y144-L148 HydrophobicContact CD2-CD2 3.71Å; Y144-L148 HydrophobicContact CE2-CD2 4.46Å; Y144-L148 HydrophobicContact CG-CD2 3.43Å; Y144-L148 VanDerWaalsContact CG-CD2 3.43Å
145	N	98.3	Very high	98.6	Very high	47 Å²	47	49 Å²	49	25%	0.251	23%	0.229	S	C	.	.			trans	-159.1	172.7	178.5	62.1	54.9	0	0	0	111.3	E32 C140 K147 L148	E32-N145 PolarHBondContact OE1-ND2 3.46Å; E32-N145 PolarHBondContact OE2-ND2 3.08Å; C140-N145 PolarHBondContact O-N 3.24Å; C140-N145 VanDerWaalsContact O-N 3.07Å; N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 3.45Å; N145-K147 WeakPolarHBondContact OD1-CA 3.49Å; N145-K147 VanDerWaalsContact OD1-CB 3.25Å; N145-K147 WeakPolarHBondContact OD1-CB 3.32Å; N145-K147 PolarHBondContact OD1-N 3.16Å; N145-L148 PolarHBondContact O-N 3.07Å; N145-L148 PolarHBondContact OD1-N 3.21Å
146	I	98.6	Very high	98.7	Very high	66 Å²	66	47.8 Å²	47.8	34%	0.338	22%	0.216	S	C	.	.	H	α-helix	trans	-67.5	-28.5	-179.8	-62.9	167.6	0	0	0	112.1	Y137 K141 L148 W149 K150	Y137-I146 HydrophobicContact CE2-CG1 4.19Å; Y137-I146 HydrophobicContact CE2-CG2 4.02Å; Y137-I146 VanDerWaalsContact OH-CD1 3.27Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.44Å; K141-I146 HydrophobicContact CB-CG1 4.35Å; K141-I146 HydrophobicContact CD-CD1 4.41Å; K141-I146 HydrophobicContact CD-CG1 4.33Å; K141-I146 HydrophobicContact CG-CG1 4.12Å; I146-L148 VanDerWaalsContact C-N 3.29Å; I146-L148 PolarHBondContact O-N 2.99Å; I146-W149 PolarHBondContact O-N 3Å; I146-K150 PolarHBondContact O-N 2.59Å; I146-K150 VanDerWaalsContact O-N 3.13Å
147	K	98.6	Very high	98.7	Very high	134 Å²	134	48.8 Å²	48.8	58%	0.583	22%	0.221	S	C	*	.	H	α-helix	trans	-67	-34.8	179.5	-175.5	-176	177.5	-176.4	0	111.1	N145 K150 T151	N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 3.45Å; N145-K147 WeakPolarHBondContact OD1-CA 3.49Å; N145-K147 VanDerWaalsContact OD1-CB 3.25Å; N145-K147 WeakPolarHBondContact OD1-CB 3.32Å; N145-K147 PolarHBondContact OD1-N 3.16Å; K147-K150 PolarHBondContact O-N 2.97Å; K147-T151 PolarHBondContact O-N 3.28Å; K147-T151 PolarHBondContact O-OG1 3.44Å
148	L	98.7	Very high	98.7	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-42.7	174	-169.4	63.9	0	0	0	111.6	E32 I35 Y144 N145 I146 K150 T151 F152	E32-L148 HydrophobicContact CG-CD1 4.26Å; I35-L148 HydrophobicContact CB-CD1 4.13Å; I35-L148 HydrophobicContact CB-CD2 4.37Å; I35-L148 HydrophobicContact CD1-CD2 4.08Å; I35-L148 HydrophobicContact CG2-CD1 3.83Å; I35-L148 HydrophobicContact CG2-CD2 4.1Å; I35-L148 HydrophobicContact CG2-CG 4.29Å; Y144-L148 VanDerWaalsContact CB-CD2 3.5Å; Y144-L148 HydrophobicContact CD1-CD2 3.96Å; Y144-L148 HydrophobicContact CD2-CD2 3.71Å; Y144-L148 HydrophobicContact CE2-CD2 4.46Å; Y144-L148 HydrophobicContact CG-CD2 3.43Å; Y144-L148 VanDerWaalsContact CG-CD2 3.43Å; N145-L148 PolarHBondContact O-N 3.07Å; N145-L148 PolarHBondContact OD1-N 3.21Å; I146-L148 VanDerWaalsContact C-N 3.29Å; I146-L148 PolarHBondContact O-N 2.99Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 2.92Å; L148-T151 WeakPolarHBondContact O-CA 3.31Å; L148-T151 VanDerWaalsContact O-CB 3.29Å; L148-T151 WeakPolarHBondContact O-CB 3.2Å; L148-T151 PolarHBondContact O-N 3.06Å; L148-F152 HydrophobicContact CD1-CE2 4.46Å; L148-F152 HydrophobicContact CD2-CE2 4.26Å; L148-F152 HydrophobicContact CG-CD2 4.21Å; L148-F152 HydrophobicContact CG-CE2 3.93Å; L148-F152 WeakPolarHBondContact O-CD2 3.38Å; L148-F152 PolarHBondContact O-N 3.35Å
149	W	98.9	Very high	98.7	Very high	28 Å²	28	44 Å²	44	11%	0.106	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-44.8	173.4	172.6	77.4	0	0	0	112.1	A128 N131 R132 F136 Y137 C140 I146 T151 F152 T153	A128-W149 HydrophobicContact CB-CH2 3.99Å; A128-W149 HydrophobicContact CB-CZ2 3.88Å; N131-W149 PolarHBondContact OD1-NE1 2.73Å; R132-W149 HydrophobicContact CB-CZ2 4.21Å; F136-W149 AromaticContact CD1-CD1 3.82Å; Y137-W149 AromaticContact CD2-CD2 3.55Å; Y137-W149 HydrophobicContact CD2-CD2 3.55Å; Y137-W149 AromaticContact CD2-CE2 3.8Å; Y137-W149 AromaticContact CD2-CE3 3.73Å; Y137-W149 HydrophobicContact CD2-CE3 3.73Å; Y137-W149 AromaticContact CD2-CG 3.9Å; Y137-W149 HydrophobicContact CD2-CG 3.9Å; Y137-W149 HydrophobicContact CD2-CH2 4.38Å; Y137-W149 HydrophobicContact CD2-CZ2 4.21Å; Y137-W149 HydrophobicContact CD2-CZ3 4.15Å; Y137-W149 HydrophobicContact CE2-CD2 4.31Å; Y137-W149 HydrophobicContact CE2-CE3 4.05Å; Y137-W149 HydrophobicContact CE2-CZ3 4.35Å; Y137-W149 HydrophobicContact CG-CD2 4.5Å; C140-W149 HydrophobicContact CB-CB 3.75Å; I146-W149 PolarHBondContact O-N 3Å; W149-T151 VanDerWaalsContact C-N 3.26Å; W149-T151 PolarHBondContact O-N 2.59Å; W149-F152 WeakPolarHBondContact O-CB 3.34Å; W149-F152 PolarHBondContact O-N 2.91Å; W149-F152 VanDerWaalsContact O-N 3.09Å; W149-T153 PolarHBondContact O-N 3.41Å; W149-T153 PolarHBondContact O-OG1 3.44Å
150	K	98.8	Very high	98.7	Very high	123 Å²	123	43.8 Å²	43.8	54%	0.535	20%	0.196	S	C	.	.	H	α-helix	trans	-60.6	-36.4	174.5	-66.5	-177.3	177.5	-174	0	112.5	I146 K147 L148 F152 T153 D154	I146-K150 PolarHBondContact O-N 2.59Å; I146-K150 VanDerWaalsContact O-N 3.13Å; K147-K150 PolarHBondContact O-N 2.97Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 2.92Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-T153 WeakPolarHBondContact O-CB 3.42Å; K150-T153 PolarHBondContact O-N 3.14Å; K150-D154 PolarHBondContact O-N 3.43Å
151	T	98.9	Very high	98.7	Very high	18 Å²	18	43.8 Å²	43.8	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-38.4	175.5	-57.9	0	0	0	0	111.3	R36 C39 K147 L148 W149 D154 C155	R36-T151 HydrophobicContact CG-CG2 4.12Å; C39-T151 HydrophobicContact CB-CG2 3.73Å; K147-T151 PolarHBondContact O-N 3.28Å; K147-T151 PolarHBondContact O-OG1 3.44Å; L148-T151 WeakPolarHBondContact O-CA 3.31Å; L148-T151 VanDerWaalsContact O-CB 3.29Å; L148-T151 WeakPolarHBondContact O-CB 3.2Å; L148-T151 PolarHBondContact O-N 3.06Å; W149-T151 VanDerWaalsContact C-N 3.26Å; W149-T151 PolarHBondContact O-N 2.59Å; T151-D154 PolarHBondContact O-N 3.01Å; T151-C155 PolarHBondContact O-N 2.81Å
152	F	98.9	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-43.8	170.5	-80.3	-71	0	0	0	111.9	I35 C39 L101 I104 L108 F136 L148 W149 K150 D154 C155 F156	I35-F152 HydrophobicContact CG2-CE1 4.16Å; I35-F152 HydrophobicContact CG2-CE2 3.61Å; I35-F152 HydrophobicContact CG2-CZ 3.25Å; C39-F152 WeakPolarHBondContact SG-CD1 3.08Å; C39-F152 WeakPolarHBondContact SG-CE1 3.45Å; L101-F152 HydrophobicContact CD2-CE2 3.55Å; L101-F152 HydrophobicContact CD2-CZ 3.84Å; I104-F152 HydrophobicContact CG1-CD1 4.49Å; I104-F152 HydrophobicContact CG1-CE1 4.23Å; I104-F152 HydrophobicContact CG2-CD1 4.25Å; I104-F152 HydrophobicContact CG2-CE1 3.51Å; I104-F152 HydrophobicContact CG2-CZ 3.88Å; L108-F152 HydrophobicContact CD1-CE1 4.25Å; F136-F152 HydrophobicContact CE1-CB 3.69Å; F136-F152 HydrophobicContact CE1-CD1 4.38Å; F136-F152 AromaticContact CE1-CD2 3.94Å; F136-F152 HydrophobicContact CE1-CD2 3.94Å; F136-F152 AromaticContact CE1-CG 3.77Å; F136-F152 HydrophobicContact CE1-CG 3.77Å; F136-F152 HydrophobicContact CZ-CB 4.07Å; F136-F152 AromaticContact CZ-CD1 3.96Å; F136-F152 HydrophobicContact CZ-CD1 3.96Å; F136-F152 AromaticContact CZ-CD2 3.55Å; F136-F152 HydrophobicContact CZ-CD2 3.55Å; F136-F152 HydrophobicContact CZ-CE1 4.23Å; F136-F152 AromaticContact CZ-CE2 3.84Å; F136-F152 HydrophobicContact CZ-CE2 3.84Å; F136-F152 AromaticContact CZ-CG 3.6Å; F136-F152 HydrophobicContact CZ-CG 3.6Å; F136-F152 HydrophobicContact CZ-CZ 4.16Å; L148-F152 HydrophobicContact CD1-CE2 4.46Å; L148-F152 HydrophobicContact CD2-CE2 4.26Å; L148-F152 HydrophobicContact CG-CD2 4.21Å; L148-F152 HydrophobicContact CG-CE2 3.93Å; L148-F152 WeakPolarHBondContact O-CD2 3.38Å; L148-F152 PolarHBondContact O-N 3.35Å; W149-F152 WeakPolarHBondContact O-CB 3.34Å; W149-F152 PolarHBondContact O-N 2.91Å; W149-F152 VanDerWaalsContact O-N 3.09Å; K150-F152 VanDerWaalsContact C-N 3.34Å; F152-D154 VanDerWaalsContact C-N 3.31Å; F152-D154 PolarHBondContact O-N 3.12Å; F152-C155 CarbonylContact O-C 3.58Å; F152-C155 WeakPolarHBondContact O-CA 3.24Å; F152-C155 WeakPolarHBondContact O-CB 3.32Å; F152-C155 PolarHBondContact O-N 2.86Å; F152-F156 HydrophobicContact CB-CD2 4.5Å; F152-F156 HydrophobicContact CB-CE2 4.03Å; F152-F156 HydrophobicContact CB-CZ 4.14Å; F152-F156 HydrophobicContact CD1-CE1 4.34Å; F152-F156 HydrophobicContact CD1-CZ 4.1Å; F152-F156 HydrophobicContact CG-CZ 4.48Å; F152-F156 VanDerWaalsContact O-CG 3.22Å; F152-F156 WeakPolarHBondContact O-CG 3.49Å; F152-F156 PolarHBondContact O-N 3.36Å
153	T	98.9	Very high	98.8	Very high	16 Å²	16	30.5 Å²	30.5	10%	0.098	14%	0.143	C	C	.	.	H	α-helix	trans	-54.7	-46.2	174.3	-55	0	0	0	0	111.8	A128 W149 K150 C155 F156 N157	A128-T153 HydrophobicContact CB-CG2 3.85Å; W149-T153 PolarHBondContact O-N 3.41Å; W149-T153 PolarHBondContact O-OG1 3.44Å; K150-T153 WeakPolarHBondContact O-CB 3.42Å; K150-T153 PolarHBondContact O-N 3.14Å; T153-C155 PolarHBondContact O-N 3.15Å; T153-F156 PolarHBondContact O-N 3.04Å; T153-N157 WeakPolarHBondContact O-CB 3.28Å; T153-N157 PolarHBondContact O-N 3.05Å; T153-N157 PolarHBondContact O-ND2 3.35Å
154	D	98.8	Very high	98.8	Very high	90 Å²	90	29 Å²	29	48%	0.481	14%	0.138	S	C	.	.	H	α-helix	trans	-61.9	-32.6	177.6	-68.9	-26	0	0	0	112.7	R43 K150 T151 F152	R43-D154 WeakPolarHBondContact CD-O 3.41Å; R43-D154 PolarHBondContact NE-O 2.83Å; K150-D154 PolarHBondContact O-N 3.43Å; T151-D154 PolarHBondContact O-N 3.01Å; F152-D154 VanDerWaalsContact C-N 3.31Å; F152-D154 PolarHBondContact O-N 3.12Å
155	C	98.9	Very high	98.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-73.1	-47.2	173.8	-177.7	0	0	0	0	111.7	C39 S42 T151 F152 T153 N157 C158	C39-C155 HydrophobicContact CB-CB 4.06Å; S42-C155 PolarHBondContact OG-SG 2.91Å; T151-C155 PolarHBondContact O-N 2.81Å; F152-C155 CarbonylContact O-C 3.58Å; F152-C155 WeakPolarHBondContact O-CA 3.24Å; F152-C155 WeakPolarHBondContact O-CB 3.32Å; F152-C155 PolarHBondContact O-N 2.86Å; T153-C155 PolarHBondContact O-N 3.15Å; C155-N157 VanDerWaalsContact C-N 3.3Å; C155-N157 PolarHBondContact O-N 2.98Å; C155-C158 WeakPolarHBondContact O-CB 3.48Å; C155-C158 PolarHBondContact O-N 3.29Å
156	F	98.9	Very high	98.9	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-37	-179.9	-66	-21	0	0	0	112.7	V94 I104 R122 E126 F136 F152 T153 C158 L159	V94-F156 HydrophobicContact CG1-CZ 4.07Å; V94-F156 HydrophobicContact CG2-CE2 4.45Å; I104-F156 HydrophobicContact CD1-CE1 3.87Å; I104-F156 HydrophobicContact CD1-CZ 4.45Å; I104-F156 HydrophobicContact CG1-CE1 3.77Å; I104-F156 HydrophobicContact CG1-CZ 4.04Å; R122-F156 PolarHBondContact NE-O 3.38Å; E126-F156 HydrophobicContact CB-CB 4.02Å; E126-F156 HydrophobicContact CB-CD1 4.28Å; E126-F156 HydrophobicContact CB-CD2 4.21Å; E126-F156 HydrophobicContact CB-CG 3.93Å; E126-F156 HydrophobicContact CG-CD1 3.9Å; E126-F156 HydrophobicContact CG-CD2 4.27Å; E126-F156 HydrophobicContact CG-CE1 4.09Å; E126-F156 HydrophobicContact CG-CE2 4.43Å; E126-F156 HydrophobicContact CG-CG 4.01Å; E126-F156 HydrophobicContact CG-CZ 4.35Å; E126-F156 WeakPolarHBondContact O-CB 3.43Å; F136-F156 HydrophobicContact CD1-CE2 4.14Å; F136-F156 AromaticContact CE1-CE2 3.67Å; F136-F156 HydrophobicContact CE1-CE2 3.67Å; F136-F156 AromaticContact CE1-CZ 3.9Å; F136-F156 HydrophobicContact CE1-CZ 3.9Å; F136-F156 HydrophobicContact CZ-CE2 4.46Å; F136-F156 HydrophobicContact CZ-CZ 4.25Å; F152-F156 HydrophobicContact CB-CD2 4.5Å; F152-F156 HydrophobicContact CB-CE2 4.03Å; F152-F156 HydrophobicContact CB-CZ 4.14Å; F152-F156 HydrophobicContact CD1-CE1 4.34Å; F152-F156 HydrophobicContact CD1-CZ 4.1Å; F152-F156 HydrophobicContact CG-CZ 4.48Å; F152-F156 VanDerWaalsContact O-CG 3.22Å; F152-F156 WeakPolarHBondContact O-CG 3.49Å; F152-F156 PolarHBondContact O-N 3.36Å; T153-F156 PolarHBondContact O-N 3.04Å; F156-C158 PolarHBondContact O-N 2.97Å; F156-L159 HydrophobicContact CB-CD1 4.41Å; F156-L159 HydrophobicContact CD1-CD1 4.02Å; F156-L159 PolarHBondContact O-N 2.63Å
157	N	98.9	Very high	98.9	Very high	21 Å²	21	31.2 Å²	31.2	11%	0.112	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.9	174.4	-73.1	-12.7	0	0	0	113.7	R122 T153 C155 P192 T193	R122-N157 PolarHBondContact NH2-OD1 3.41Å; T153-N157 WeakPolarHBondContact O-CB 3.28Å; T153-N157 PolarHBondContact O-N 3.05Å; T153-N157 PolarHBondContact O-ND2 3.35Å; C155-N157 VanDerWaalsContact C-N 3.3Å; C155-N157 PolarHBondContact O-N 2.98Å; N157-P192 HydrophobicContact CB-CB 3.84Å; N157-P192 VanDerWaalsContact O-CA 3.25Å; N157-P192 WeakPolarHBondContact O-CA 3.34Å; N157-T193 WeakPolarHBondContact CA-O 3.4Å; N157-T193 WeakPolarHBondContact CB-O 3.36Å; N157-T193 PolarHBondContact O-N 3.12Å; N157-T193 PolarHBondContact OD1-O 3.42Å; N157-T193 VanDerWaalsContact OD1-O 3.13Å
158	C	98.9	Very high	98.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-2.8	177.7	-65	0	0	0	0	114.2	R43 F46 L47 C155 F156 R191	R43-C158 HydrophobicContact CG-CB 3.95Å; R43-C158 PolarHBondContact NE-SG 3.34Å; F46-C158 HydrophobicContact CB-CB 4.26Å; F46-C158 VanDerWaalsContact CB-O 3.23Å; F46-C158 WeakPolarHBondContact CB-O 3.07Å; L47-C158 HydrophobicContact CD2-CB 4.17Å; L47-C158 HydrophobicContact CG-CB 4.06Å; C155-C158 WeakPolarHBondContact O-CB 3.48Å; C155-C158 PolarHBondContact O-N 3.29Å; F156-C158 PolarHBondContact O-N 2.97Å; C158-R191 VanDerWaalsContact O-CD 3.3Å; C158-R191 WeakPolarHBondContact O-CD 3.42Å; C158-R191 PolarHBondContact O-NH1 2.91Å
159	L	98.9	Very high	98.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	-61.5	144.6	178.7	-75.8	165.3	0	0	0	111.8	F46 Y93 L120 R122 E126 F156 R191	F46-L159 HydrophobicContact CD1-CD2 4.17Å; F46-L159 HydrophobicContact CD2-CD2 4.09Å; F46-L159 HydrophobicContact CE1-CD2 3.67Å; F46-L159 HydrophobicContact CE2-CD2 3.61Å; F46-L159 HydrophobicContact CE2-CG 4.36Å; F46-L159 HydrophobicContact CG-CD2 4.38Å; F46-L159 HydrophobicContact CZ-CD2 3.38Å; Y93-L159 HydrophobicContact CE2-CD1 4.27Å; L120-L159 HydrophobicContact CB-CD2 4.05Å; R122-L159 HydrophobicContact CB-CB 3.71Å; R122-L159 HydrophobicContact CB-CD1 4.31Å; R122-L159 HydrophobicContact CG-CB 4.01Å; R122-L159 HydrophobicContact CG-CD1 4.1Å; E126-L159 HydrophobicContact CB-CD1 3.96Å; E126-L159 HydrophobicContact CG-CD1 3.82Å; F156-L159 HydrophobicContact CB-CD1 4.41Å; F156-L159 HydrophobicContact CD1-CD1 4.02Å; F156-L159 PolarHBondContact O-N 2.63Å; L159-R191 WeakPolarHBondContact O-CD 3.19Å
160	P	98.9	Very high	98.9	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.019	13%	0.127	C	C	.	.			trans	-65.5	154.9	167.9	29.4	-33.1	0	0	0	110.8	I51 L53 L120 L121 R122	I51-P160 CarbonylContact O-C 3.58Å; I51-P160 WeakPolarHBondContact O-CA 3.38Å; I51-P160 VanDerWaalsContact O-CB 3.27Å; I51-P160 WeakPolarHBondContact O-CB 3.37Å; L53-P160 HydrophobicContact CD1-CB 4.19Å; L53-P160 HydrophobicContact CD1-CG 3.85Å; L53-P160 HydrophobicContact CD2-CB 4.23Å; L53-P160 HydrophobicContact CD2-CG 4.35Å; L53-P160 HydrophobicContact CG-CB 3.93Å; L53-P160 HydrophobicContact CG-CG 4.11Å; L120-P160 VanDerWaalsContact O-CD 3.26Å; L120-P160 WeakPolarHBondContact O-CD 3.34Å; L120-P160 WeakPolarHBondContact O-CG 3.37Å; L121-P160 CarbonylContact C-O 3.55Å; L121-P160 WeakPolarHBondContact CA-O 3.25Å; L121-P160 HydrophobicContact CD2-CB 4.28Å; L121-P160 HydrophobicContact CD2-CG 4.1Å; R122-P160 PolarHBondContact N-O 2.89Å
161	I	98.9	Very high	98.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.			trans	-104.1	-31.5	-168.6	-59.1	-54.5	0	0	0	112	I51 R122 L201 L204 L205	I51-I161 HydrophobicContact CD1-CG1 3.63Å; I51-I161 HydrophobicContact CG1-CB 4.26Å; I51-I161 HydrophobicContact CG1-CG1 3.73Å; I51-I161 PolarHBondContact O-N 3.5Å; R122-I161 HydrophobicContact CB-CD1 3.72Å; R122-I161 HydrophobicContact CG-CD1 4.34Å; I161-L201 HydrophobicContact CB-CD1 4.39Å; I161-L201 HydrophobicContact CD1-CD1 3.5Å; I161-L201 HydrophobicContact CG1-CD1 3.68Å; I161-L201 HydrophobicContact CG2-CD1 3.78Å; I161-L204 HydrophobicContact CG2-CB 3.94Å; I161-L204 HydrophobicContact CG2-CD1 3.72Å; I161-L204 HydrophobicContact CG2-CG 4.44Å; I161-L205 HydrophobicContact CD1-CD1 4.4Å; I161-L205 HydrophobicContact CG2-CD1 3.82Å
162	A	98.9	Very high	98.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	164.6	179.8	0	0	0	0	0	110.7	L52 L53 F170 C171 C172 I186	L52-A162 WeakPolarHBondContact CA-O 3.28Å; L52-A162 HydrophobicContact CD1-CB 3.66Å; L53-A162 PolarHBondContact N-O 3.16Å; A162-F170 HydrophobicContact CB-CE2 3.88Å; A162-F170 HydrophobicContact CB-CZ 3.96Å; A162-C171 CarbonylContact C-O 3.29Å; A162-C171 WeakPolarHBondContact CA-O 3.49Å; A162-C171 VanDerWaalsContact CB-O 3.31Å; A162-C171 WeakPolarHBondContact CB-O 3.35Å; A162-C172 HydrophobicContact CB-CB 4.41Å; A162-I186 HydrophobicContact CB-CD1 4.3Å
163	A	98.9	Very high	98.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.8	169.5	0	0	0	0	0	110.4	L53 L55 L88 L121 C171	L53-A163 HydrophobicContact CB-CB 3.83Å; L53-A163 HydrophobicContact CD1-CB 4.49Å; L53-A163 CarbonylContact O-C 3.51Å; L53-A163 VanDerWaalsContact O-CA 3.22Å; L53-A163 WeakPolarHBondContact O-CA 3.43Å; L55-A163 HydrophobicContact CD1-CB 3.86Å; L55-A163 HydrophobicContact CG-CB 4.35Å; L88-A163 HydrophobicContact CD1-CB 4.27Å; L88-A163 HydrophobicContact CD2-CB 3.94Å; L121-A163 HydrophobicContact CD1-CB 4.47Å; L121-A163 HydrophobicContact CD2-CB 4.28Å; A163-C171 HydrophobicContact CB-CB 4.19Å; A163-C171 PolarHBondContact N-O 2.87Å; A163-C171 PolarHBondContact O-N 3.14Å
164	I	98.9	Very high	98.9	Very high	11 Å²	11	18.4 Å²	18.4	6%	0.056	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.3	165.3	-63.9	169.5	0	0	0	107	L52 L53 L55 I169 F170 M183 L241	L52-I164 HydrophobicContact CD1-CD1 4.31Å; L52-I164 HydrophobicContact CD1-CG1 4.19Å; L52-I164 HydrophobicContact CD2-CD1 4.23Å; L53-I164 PolarHBondContact O-N 3.02Å; L55-I164 PolarHBondContact N-O 3.29Å; I164-I169 CarbonylContact C-O 3.55Å; I164-I169 VanDerWaalsContact CA-O 3.31Å; I164-I169 WeakPolarHBondContact CA-O 3.49Å; I164-F170 HydrophobicContact CG1-CD2 4.03Å; I164-M183 HydrophobicContact CD1-CE 4.2Å; I164-M183 HydrophobicContact CD1-CG 4.27Å; I164-M183 HydrophobicContact CD1-SD 4.26Å; I164-L241 HydrophobicContact CG2-CD2 4.23Å
165	V	98.9	Very high	98.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.2	175.7	-177	0	0	0	0	109.1	L55 A57 L59 I61 E167 K168 I169 L289	L55-V165 HydrophobicContact CB-CG2 4.37Å; L55-V165 CarbonylContact O-C 3.6Å; L55-V165 WeakPolarHBondContact O-CA 3.44Å; A57-V165 HydrophobicContact CB-CG1 4.48Å; L59-V165 HydrophobicContact CD1-CG2 4.05Å; L59-V165 HydrophobicContact CD2-CB 4.41Å; L59-V165 HydrophobicContact CD2-CG1 3.45Å; L59-V165 VanDerWaalsContact CD2-CG1 3.45Å; L59-V165 HydrophobicContact CD2-CG2 4.07Å; I61-V165 HydrophobicContact CD1-CG2 4.39Å; V165-E167 PolarHBondContact O-N 3.37Å; V165-E167 VanDerWaalsContact O-N 3.08Å; V165-K168 PolarHBondContact O-N 3.25Å; V165-I169 HydrophobicContact CB-CB 4.11Å; V165-I169 PolarHBondContact N-O 2.57Å; V165-I169 PolarHBondContact O-N 3.41Å; V165-L289 HydrophobicContact CG1-CD2 4.5Å
166	D	98.6	Very high	98.9	Very high	54 Å²	54	14.2 Å²	14.2	29%	0.289	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	40.2	178.9	-67.1	-56	0	0	0	113.2	L55 A57 K168 L289	L55-D166 PolarHBondContact O-N 2.92Å; A57-D166 WeakPolarHBondContact CB-OD2 3.17Å; A57-D166 PolarHBondContact N-OD2 3.12Å; D166-K168 WeakPolarHBondContact O-CG 3.3Å; D166-K168 PolarHBondContact O-N 3.44Å; D166-L289 HydrophobicContact CB-CD1 4.04Å; D166-L289 HydrophobicContact CB-CD2 3.73Å; D166-L289 HydrophobicContact CB-CG 4.25Å
167	E	98.6	Very high	98.9	Very high	153 Å²	153	14.4 Å²	14.4	72%	0.715	7%	0.07	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	10.9	-178.4	-54.8	-178.2	174	0	0	114.9	V165 L241	V165-E167 PolarHBondContact O-N 3.37Å; V165-E167 VanDerWaalsContact O-N 3.08Å; E167-L241 WeakPolarHBondContact O-CD2 3.21Å
168	K	98.8	Very high	98.8	Very high	45 Å²	45	15.1 Å²	15.1	20%	0.196	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-26.9	-171.6	-67.1	-57.8	174.1	-172.4	0	115.5	V165 D166 D240 D242 L243 L289	V165-K168 PolarHBondContact O-N 3.25Å; D166-K168 WeakPolarHBondContact O-CG 3.3Å; D166-K168 PolarHBondContact O-N 3.44Å; K168-D240 VanDerWaalsContact NZ-CG 3.29Å; K168-D240 PolarHBondContact NZ-O 2.91Å; K168-D240 IonicContact NZ-OD1 2.83Å; K168-D240 IonicContact NZ-OD2 3.45Å; K168-D240 PolarHBondContact NZ-OD2 3.14Å; K168-D242 HydrophobicContact CB-CB 4.4Å; K168-D242 WeakPolarHBondContact CD-OD2 3.48Å; K168-D242 PolarHBondContact O-N 2.89Å; K168-L243 PolarHBondContact O-N 3.08Å; K168-L289 HydrophobicContact CB-CD1 3.95Å; K168-L289 HydrophobicContact CG-CD1 3.91Å
169	I	98.9	Very high	98.8	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.026	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.7	-179	-47	176.4	0	0	0	110.3	I164 V165 L243 C245 V285 L289	I164-I169 CarbonylContact C-O 3.55Å; I164-I169 VanDerWaalsContact CA-O 3.31Å; I164-I169 WeakPolarHBondContact CA-O 3.49Å; V165-I169 HydrophobicContact CB-CB 4.11Å; V165-I169 PolarHBondContact N-O 2.57Å; V165-I169 PolarHBondContact O-N 3.41Å; I169-L243 CarbonylContact C-O 3.6Å; I169-L243 WeakPolarHBondContact CA-O 3.25Å; I169-L243 HydrophobicContact CD1-CD2 4.37Å; I169-L243 HydrophobicContact CG1-CB 4.28Å; I169-L243 HydrophobicContact CG1-CD2 4.45Å; I169-L243 HydrophobicContact CG2-CB 4.12Å; I169-L243 HydrophobicContact CG2-CD2 3.97Å; I169-L243 HydrophobicContact CG2-CG 4.11Å; I169-C245 HydrophobicContact CG2-CB 3.84Å; I169-V285 HydrophobicContact CD1-CG1 3.99Å; I169-V285 HydrophobicContact CD1-CG2 4.05Å; I169-L289 HydrophobicContact CD1-CD2 4.15Å
170	F	98.9	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.2	172.5	178.4	-97.7	0	0	0	110.4	A162 I164 C172 L176 L180 M183 I186 L204 F235 L241 L243 I244 C245	A162-F170 HydrophobicContact CB-CE2 3.88Å; A162-F170 HydrophobicContact CB-CZ 3.96Å; I164-F170 HydrophobicContact CG1-CD2 4.03Å; F170-C172 HydrophobicContact CE1-CB 4.02Å; F170-C172 HydrophobicContact CZ-CB 4.33Å; F170-L176 HydrophobicContact CE1-CD2 4.4Å; F170-L180 HydrophobicContact CZ-CD2 4.28Å; F170-M183 HydrophobicContact CD2-CE 3.77Å; F170-M183 HydrophobicContact CD2-SD 4.2Å; F170-M183 HydrophobicContact CE2-CE 4.05Å; F170-M183 HydrophobicContact CE2-SD 3.94Å; F170-I186 HydrophobicContact CE2-CD1 3.87Å; F170-I186 HydrophobicContact CZ-CD1 3.99Å; F170-L204 HydrophobicContact CE1-CD2 4.39Å; F170-L204 HydrophobicContact CZ-CD2 3.93Å; F170-F235 HydrophobicContact CB-CE1 4.26Å; F170-F235 HydrophobicContact CD1-CE1 4.1Å; F170-F235 HydrophobicContact CD1-CZ 4.2Å; F170-F235 HydrophobicContact CD2-CZ 4.36Å; F170-F235 HydrophobicContact CE1-CZ 4.39Å; F170-F235 HydrophobicContact CG-CE1 4.1Å; F170-F235 HydrophobicContact CG-CZ 4.18Å; F170-L241 HydrophobicContact CB-CD1 3.73Å; F170-L241 HydrophobicContact CB-CD2 4.5Å; F170-L243 PolarHBondContact N-O 3.23Å; F170-I244 HydrophobicContact CD1-CG2 4.45Å; F170-I244 CarbonylContact O-C 3.6Å; F170-I244 WeakPolarHBondContact O-CA 3.44Å; F170-C245 PolarHBondContact O-N 3.02Å
171	C	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.4	-176.4	-56.8	0	0	0	0	110.9	L88 L90 L121 A162 A163 C245	L88-C171 HydrophobicContact CD2-CB 3.87Å; L90-C171 HydrophobicContact CD2-CB 3.9Å; L121-C171 HydrophobicContact CD1-CB 4.26Å; A162-C171 CarbonylContact C-O 3.29Å; A162-C171 WeakPolarHBondContact CA-O 3.49Å; A162-C171 VanDerWaalsContact CB-O 3.31Å; A162-C171 WeakPolarHBondContact CB-O 3.35Å; A163-C171 HydrophobicContact CB-CB 4.19Å; A163-C171 PolarHBondContact N-O 2.87Å; A163-C171 PolarHBondContact O-N 3.14Å; C171-C245 VanDerWaalsContact CA-O 3.27Å; C171-C245 WeakPolarHBondContact CA-O 3.5Å
172	C	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	173.2	170.2	64.1	0	0	0	0	109.9	A162 F170 G175 L204 C245 R246	A162-C172 HydrophobicContact CB-CB 4.41Å; F170-C172 HydrophobicContact CE1-CB 4.02Å; F170-C172 HydrophobicContact CZ-CB 4.33Å; C172-G175 PolarHBondContact SG-O 3.29Å; C172-G175 VanDerWaalsContact SG-O 3.41Å; C172-L204 HydrophobicContact CB-CD2 4.4Å; C172-C245 PolarHBondContact N-O 3.27Å; C172-R246 VanDerWaalsContact O-CA 3.28Å; C172-R246 WeakPolarHBondContact O-CA 3.48Å
173	H	98.9	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-76.2	-60.6	177.7	-175.8	68.9	0	0	0	112	D64 L90 D92 R122 G123 N124 L205 R246 A247 H248	D64-H173 IonicContact OD1-CE1 3.83Å; D64-H173 PolarHBondContact OD1-CE1 2.83Å; D64-H173 VanDerWaalsContact OD1-CE1 3.3Å; D64-H173 IonicContact OD1-ND1 3.82Å; D64-H173 IonicContact OD2-CE1 3.08Å; L90-H173 WeakPolarHBondContact O-CA 3.19Å; L90-H173 WeakPolarHBondContact O-CB 3.48Å; L90-H173 VanDerWaalsContact O-CG 3.29Å; L90-H173 PolarHBondContact O-ND1 3.24Å; D92-H173 VanDerWaalsContact CG-NE2 3.33Å; D92-H173 IonicContact OD1-CE1 2.73Å; D92-H173 IonicContact OD1-NE2 3.15Å; D92-H173 PolarHBondContact OD1-NE2 3.15Å; D92-H173 IonicContact OD2-CE1 3.72Å; D92-H173 PolarHBondContact OD2-CE1 2.77Å; D92-H173 IonicContact OD2-NE2 2.87Å; D92-H173 PolarHBondContact OD2-NE2 2.84Å; R122-H173 WeakPolarHBondContact O-CB 3.42Å; G123-H173 VanDerWaalsContact CA-CG 3.42Å; N124-H173 PolarHBondContact OD1-CD2 2.72Å; N124-H173 PolarHBondContact OD1-NE2 3.22Å; H173-L205 PolarHBondContact CD2-O 2.72Å; H173-R246 PolarHBondContact O-NE 2.89Å; H173-A247 WeakPolarHBondContact O-CA 3.25Å; H173-A247 PolarHBondContact O-N 3.12Å; H173-H248 AromaticContact CD2-CG 3.97Å; H173-H248 AromaticContact CD2-ND1 3.66Å; H173-H248 WeakPolarHBondContact NE2-CB 3.08Å; H173-H248 AromaticContact NE2-CG 3.55Å; H173-H248 AromaticContact NE2-ND1 3.07Å; H173-H248 PolarHBondContact NE2-ND1 3.36Å
174	G	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-77.6	-95.2	-179.3	0	0	0	0	0	110.7	L204 S207 R246	G174-L204 WeakPolarHBondContact CA-O 3.24Å; G174-L204 PolarHBondContact N-O 2.93Å; G174-S207 CarbonylContact C-O 3.59Å; G174-R246 VanDerWaalsContact C-NH2 3.34Å; G174-R246 WeakPolarHBondContact O-CB 3.41Å; G174-R246 PolarHBondContact O-NE 3.39Å; G174-R246 PolarHBondContact O-NH2 2.77Å
175	G	98.7	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.			trans	-172	-143.5	-175.8	0	0	0	0	0	112.6	C172 S207	C172-G175 PolarHBondContact SG-O 3.29Å; C172-G175 VanDerWaalsContact SG-O 3.41Å; G175-S207 WeakPolarHBondContact CA-OG 3.36Å; G175-S207 PolarHBondContact N-O 3.23Å; G175-S207 PolarHBondContact N-OG 3.33Å; G175-S207 VanDerWaalsContact N-OG 3.11Å
176	L	98.9	Very high	98.7	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	17%	0.171	C	C	.	.			trans	-84.7	160.1	-178.4	-61	-178.3	0	0	0	111.5	F170 S207 W216 F227 V231 V232 F235 I244	F170-L176 HydrophobicContact CE1-CD2 4.4Å; L176-S207 PolarHBondContact N-OG 3.44Å; L176-S207 WeakPolarHBondContact O-CB 3.39Å; L176-S207 PolarHBondContact O-OG 3.03Å; L176-W216 HydrophobicContact CB-CH2 3.77Å; L176-W216 WeakPolarHBondContact O-CH2 3.43Å; L176-W216 WeakPolarHBondContact O-CZ3 3.26Å; L176-F227 HydrophobicContact CB-CD1 4.43Å; L176-F227 HydrophobicContact CB-CE1 4.45Å; L176-F227 HydrophobicContact CB-CG 4.48Å; L176-F227 HydrophobicContact CB-CZ 4.5Å; L176-F227 HydrophobicContact CD1-CD2 4.3Å; L176-F227 HydrophobicContact CD1-CE2 4.29Å; L176-F227 HydrophobicContact CG-CE2 4.24Å; L176-F227 HydrophobicContact CG-CZ 4.4Å; L176-V231 HydrophobicContact CD1-CG1 3.91Å; L176-V232 HydrophobicContact CD1-CG2 4.46Å; L176-F235 HydrophobicContact CD1-CB 3.77Å; L176-F235 HydrophobicContact CD1-CD1 4.26Å; L176-F235 HydrophobicContact CD1-CD2 4.45Å; L176-F235 HydrophobicContact CD1-CG 3.92Å; L176-F235 HydrophobicContact CD2-CD1 3.71Å; L176-F235 HydrophobicContact CD2-CD2 3.86Å; L176-F235 HydrophobicContact CD2-CE1 3.71Å; L176-F235 HydrophobicContact CD2-CE2 3.88Å; L176-F235 HydrophobicContact CD2-CG 3.77Å; L176-F235 HydrophobicContact CD2-CZ 3.77Å; L176-I244 HydrophobicContact CD1-CD1 3.74Å; L176-I244 HydrophobicContact CD2-CD1 3.81Å; L176-I244 HydrophobicContact CG-CD1 3.91Å
177	S	98.9	Very high	98.7	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.035	18%	0.175	C	C	.	.			trans	-120.7	142.8	172.7	178.4	0	0	0	0	110.7	D179 L180 D203	S177-D179 PolarHBondContact O-N 2.97Å; S177-D179 WeakPolarHBondContact OG-CB 3.43Å; S177-D179 PolarHBondContact OG-N 2.89Å; S177-L180 PolarHBondContact O-N 3.24Å; S177-L180 VanDerWaalsContact O-N 3.09Å; S177-D203 VanDerWaalsContact CB-CB 3.47Å; S177-D203 WeakPolarHBondContact CB-OD2 3.17Å; S177-D203 PolarHBondContact OG-OD2 2.91Å
178	P	98.5	Very high	98.7	Very high	37 Å²	37	37.4 Å²	37.4	24%	0.24	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.8	167.8	26.4	-33.8	0	0	0	111.7	L180 Q181 W216 F225	P178-L180 VanDerWaalsContact C-N 3.34Å; P178-Q181 PolarHBondContact O-NE2 3.48Å; P178-W216 VanDerWaalsContact CA-CZ2 3.43Å; P178-W216 HydrophobicContact CB-CD2 4.07Å; P178-W216 HydrophobicContact CB-CG 4.47Å; P178-W216 HydrophobicContact CB-CZ2 3.97Å; P178-W216 HydrophobicContact CG-CD2 4.4Å; P178-W216 HydrophobicContact CG-CE3 4.49Å; P178-F225 HydrophobicContact CG-CD2 4Å; P178-F225 HydrophobicContact CG-CE2 3.86Å; P178-F225 HydrophobicContact CG-CZ 4.48Å
179	D	98.3	Very high	98.7	Very high	79 Å²	79	36.8 Å²	36.8	42%	0.422	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.1	177.9	-64.8	-18.3	0	0	0	112.7	S177 Q181 Q185 L200	S177-D179 PolarHBondContact O-N 2.97Å; S177-D179 WeakPolarHBondContact OG-CB 3.43Å; S177-D179 PolarHBondContact OG-N 2.89Å; D179-Q181 PolarHBondContact O-N 3.1Å; D179-Q181 VanDerWaalsContact O-N 3.15Å; D179-Q185 PolarHBondContact O-NE2 3.17Å; D179-Q185 PolarHBondContact O-OE1 3.04Å; D179-L200 HydrophobicContact CB-CB 4.18Å
180	L	98.6	Very high	98.7	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	21%	0.208	C	C	.	.			trans	-81.9	96.6	-178.7	-176.4	57.5	0	0	0	111.1	F170 S177 P178 S182 I186 L200 L204 F235	F170-L180 HydrophobicContact CZ-CD2 4.28Å; S177-L180 PolarHBondContact O-N 3.24Å; S177-L180 VanDerWaalsContact O-N 3.09Å; P178-L180 VanDerWaalsContact C-N 3.34Å; L180-S182 WeakPolarHBondContact CD1-O 3.49Å; L180-I186 HydrophobicContact CD1-CD1 3.93Å; L180-I186 HydrophobicContact CD1-CG1 3.8Å; L180-I186 HydrophobicContact CD2-CD1 4.18Å; L180-L200 HydrophobicContact CB-CD1 3.7Å; L180-L200 HydrophobicContact CD1-CD1 4.11Å; L180-L200 HydrophobicContact CG-CD1 4.37Å; L180-L204 HydrophobicContact CD2-CD2 4.3Å; L180-F235 HydrophobicContact CD2-CE2 3.59Å; L180-F235 HydrophobicContact CD2-CZ 4.02Å; L180-F235 HydrophobicContact CG-CE2 4.06Å
181	Q	97.8	Very high	98.7	Very high	106 Å²	106	45.8 Å²	45.8	50%	0.495	22%	0.215	S	C	.	.	S	Bend	trans	-108.6	-26	178.4	-57.7	-56.8	-36.7	0	0	113.2	P178 D179 K238	P178-Q181 PolarHBondContact O-NE2 3.48Å; D179-Q181 PolarHBondContact O-N 3.1Å; D179-Q181 VanDerWaalsContact O-N 3.15Å; Q181-K238 WeakPolarHBondContact O-CE 3.36Å; Q181-K238 PolarHBondContact O-NZ 3.05Å
182	S	98.4	Very high	98.7	Very high	51 Å²	51	49.3 Å²	49.3	36%	0.357	24%	0.238	S	C	.	.			trans	-145.3	142.4	176.8	175.3	0	0	0	0	110.3	L180 E184 Q185	L180-S182 WeakPolarHBondContact CD1-O 3.49Å; S182-E184 PolarHBondContact O-N 3.33Å; S182-E184 VanDerWaalsContact O-N 3.12Å; S182-E184 PolarHBondContact OG-N 2.79Å; S182-Q185 WeakPolarHBondContact O-CB 3.44Å; S182-Q185 PolarHBondContact O-N 2.68Å
183	M	98.7	Very high	98.7	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-24.1	174.5	-62.9	-56	-180	0	0	112.5	L52 I164 F170 Q185 I186 R187 F235 H239 L241	L52-M183 HydrophobicContact CD2-CB 3.81Å; L52-M183 HydrophobicContact CD2-CG 4.4Å; L52-M183 HydrophobicContact CD2-SD 4.46Å; I164-M183 HydrophobicContact CD1-CE 4.2Å; I164-M183 HydrophobicContact CD1-CG 4.27Å; I164-M183 HydrophobicContact CD1-SD 4.26Å; F170-M183 HydrophobicContact CD2-CE 3.77Å; F170-M183 HydrophobicContact CD2-SD 4.2Å; F170-M183 HydrophobicContact CE2-CE 4.05Å; F170-M183 HydrophobicContact CE2-SD 3.94Å; M183-Q185 PolarHBondContact O-N 2.84Å; M183-I186 WeakPolarHBondContact O-CB 3.39Å; M183-I186 PolarHBondContact O-N 3.12Å; M183-I186 HydrophobicContact SD-CD1 4.16Å; M183-R187 PolarHBondContact O-N 3.43Å; M183-R187 VanDerWaalsContact O-N 3.12Å; M183-F235 HydrophobicContact CE-CE1 4.35Å; M183-F235 HydrophobicContact CE-CE2 4.17Å; M183-F235 HydrophobicContact CE-CZ 3.54Å; M183-H239 HydrophobicContact CE-CB 4.28Å; M183-L241 HydrophobicContact CE-CD1 3.95Å
184	E	98.6	Very high	98.6	Very high	78 Å²	78	55.1 Å²	55.1	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-29.2	171.8	-73.8	-57	111.6	0	0	113.3	S182 I186 R187 R188	S182-E184 PolarHBondContact O-N 3.33Å; S182-E184 VanDerWaalsContact O-N 3.12Å; S182-E184 PolarHBondContact OG-N 2.79Å; E184-I186 VanDerWaalsContact C-N 3.3Å; E184-I186 PolarHBondContact O-N 3.33Å; E184-R187 PolarHBondContact O-N 3.33Å; E184-R187 WeakPolarHBondContact OE1-CD 3.4Å; E184-R187 IonicContact OE1-CZ 3.62Å; E184-R187 IonicContact OE1-NE 3.88Å; E184-R187 IonicContact OE1-NH1 3.3Å; E184-R187 PolarHBondContact OE1-NH1 3.1Å; E184-R188 WeakPolarHBondContact O-CB 3.43Å; E184-R188 VanDerWaalsContact O-CG 3.22Å; E184-R188 WeakPolarHBondContact O-CG 3.5Å; E184-R188 PolarHBondContact O-N 2.97Å
185	Q	98.8	Very high	98.6	Very high	68 Å²	68	55.9 Å²	55.9	32%	0.318	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-36.7	176.3	-65.4	173.4	-93.3	0	0	111.4	D179 S182 M183 L200	D179-Q185 PolarHBondContact O-NE2 3.17Å; D179-Q185 PolarHBondContact O-OE1 3.04Å; S182-Q185 WeakPolarHBondContact O-CB 3.44Å; S182-Q185 PolarHBondContact O-N 2.68Å; M183-Q185 PolarHBondContact O-N 2.84Å; Q185-L200 HydrophobicContact CB-CD2 3.63Å
186	I	98.9	Very high	98.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-47.4	173.5	-52.9	-179.7	0	0	0	109.5	I51 L52 A162 F170 L180 M183 E184 R188 I189 L204	I51-I186 WeakPolarHBondContact CG2-O 3.33Å; L52-I186 HydrophobicContact CB-CB 4.49Å; L52-I186 HydrophobicContact CB-CG2 4.01Å; A162-I186 HydrophobicContact CB-CD1 4.3Å; F170-I186 HydrophobicContact CE2-CD1 3.87Å; F170-I186 HydrophobicContact CZ-CD1 3.99Å; L180-I186 HydrophobicContact CD1-CD1 3.93Å; L180-I186 HydrophobicContact CD1-CG1 3.8Å; L180-I186 HydrophobicContact CD2-CD1 4.18Å; M183-I186 WeakPolarHBondContact O-CB 3.39Å; M183-I186 PolarHBondContact O-N 3.12Å; M183-I186 HydrophobicContact SD-CD1 4.16Å; E184-I186 VanDerWaalsContact C-N 3.3Å; E184-I186 PolarHBondContact O-N 3.33Å; I186-R188 PolarHBondContact O-N 3.22Å; I186-R188 VanDerWaalsContact O-N 3.17Å; I186-I189 WeakPolarHBondContact O-CB 3.32Å; I186-I189 PolarHBondContact O-N 3.01Å; I186-I189 VanDerWaalsContact O-N 3.1Å; I186-L204 HydrophobicContact CD1-CD1 4.11Å; I186-L204 HydrophobicContact CD1-CD2 4.32Å; I186-L204 HydrophobicContact CG1-CD1 4.05Å
187	R	98.8	Very high	98.4	Very high	100 Å²	100	64.7 Å²	64.7	38%	0.377	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-28.7	-178.8	-64.1	-169.7	-172.4	96.9	4.8	113.7	L52 E54 M183 E184	L52-R187 HydrophobicContact CB-CG 4Å; L52-R187 HydrophobicContact CD2-CG 3.97Å; E54-R187 IonicContact OE1-CZ 3.33Å; E54-R187 IonicContact OE1-NE 3.71Å; E54-R187 IonicContact OE1-NH2 2.68Å; E54-R187 PolarHBondContact OE1-NH2 3.39Å; M183-R187 PolarHBondContact O-N 3.43Å; M183-R187 VanDerWaalsContact O-N 3.12Å; E184-R187 PolarHBondContact O-N 3.33Å; E184-R187 WeakPolarHBondContact OE1-CD 3.4Å; E184-R187 IonicContact OE1-CZ 3.62Å; E184-R187 IonicContact OE1-NE 3.88Å; E184-R187 IonicContact OE1-NH1 3.3Å; E184-R187 PolarHBondContact OE1-NH1 3.1Å
188	R	98.6	Very high	98.4	Very high	185 Å²	185	71.6 Å²	71.6	70%	0.698	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.1	179.9	-71.5	173.2	-170.6	-170.8	2.5	114.7	E184 I186 M190	E184-R188 WeakPolarHBondContact O-CB 3.43Å; E184-R188 VanDerWaalsContact O-CG 3.22Å; E184-R188 WeakPolarHBondContact O-CG 3.5Å; E184-R188 PolarHBondContact O-N 2.97Å; I186-R188 PolarHBondContact O-N 3.22Å; I186-R188 VanDerWaalsContact O-N 3.17Å; R188-M190 PolarHBondContact O-N 2.95Å
189	I	98.8	Very high	98.4	Very high	33 Å²	33	70.7 Å²	70.7	17%	0.169	36%	0.355	C	S	.	.			trans	-66.7	118	174.2	-64.6	167.6	0	0	0	108.2	I51 I186 T193 L200 L201	I51-I189 HydrophobicContact CD1-CB 3.7Å; I51-I189 HydrophobicContact CD1-CG2 3.58Å; I51-I189 WeakPolarHBondContact CD1-O 3.03Å; I186-I189 WeakPolarHBondContact O-CB 3.32Å; I186-I189 PolarHBondContact O-N 3.01Å; I186-I189 VanDerWaalsContact O-N 3.1Å; I189-T193 HydrophobicContact CG2-CG2 4.08Å; I189-L200 HydrophobicContact CD1-CD2 4.37Å; I189-L201 HydrophobicContact CD1-CB 4.37Å; I189-L201 HydrophobicContact CG2-CD2 4.47Å
190	M	98.7	Very high	98.4	Very high	154 Å²	154	68.1 Å²	68.1	76%	0.759	34%	0.341	S	S	*	.			trans	-80.7	139.4	-179.7	-65.2	-60.6	-66.3	0	0	110.7	R188 T193	R188-M190 PolarHBondContact O-N 2.95Å; M190-T193 WeakPolarHBondContact O-CB 3.29Å
191	R	98.8	Very high	98.4	Very high	40 Å²	40	68.4 Å²	68.4	15%	0.151	34%	0.342	C	S	.	.	S	Bend	trans	-114.2	148.1	174	-68.9	175	-65.5	160.5	4.3	110.3	F46 L47 Q49 I51 C158 L159	F46-R191 VanDerWaalsContact O-CZ 3.29Å; F46-R191 PolarHBondContact O-NH1 3.45Å; F46-R191 PolarHBondContact O-NH2 2.72Å; F46-R191 VanDerWaalsContact O-NH2 3.11Å; L47-R191 HydrophobicContact CD2-CB 3.76Å; Q49-R191 PolarHBondContact O-NH2 3.03Å; I51-R191 HydrophobicContact CD1-CG 3.74Å; I51-R191 HydrophobicContact CG1-CG 4.37Å; C158-R191 VanDerWaalsContact O-CD 3.3Å; C158-R191 WeakPolarHBondContact O-CD 3.42Å; C158-R191 PolarHBondContact O-NH1 2.91Å; L159-R191 WeakPolarHBondContact O-CD 3.19Å
192	P	98.8	Very high	98.4	Very high	74 Å²	74	63.3 Å²	63.3	48%	0.481	32%	0.318	S	S	.	.	S	Bend	cis	-71	143.4	-1.1	28.9	-34.2	0	0	0	113	N157	N157-P192 HydrophobicContact CB-CB 3.84Å; N157-P192 VanDerWaalsContact O-CA 3.25Å; N157-P192 WeakPolarHBondContact O-CA 3.34Å
193	T	98.6	Very high	98.5	Very high	43 Å²	43	61 Å²	61	26%	0.264	30%	0.302	S	S	.	.			trans	-140.1	147.7	173.6	-174.7	0	0	0	0	110.8	R122 N157 I189 M190 L201	R122-T193 PolarHBondContact NH1-O 3.35Å; N157-T193 WeakPolarHBondContact CA-O 3.4Å; N157-T193 WeakPolarHBondContact CB-O 3.36Å; N157-T193 PolarHBondContact O-N 3.12Å; N157-T193 PolarHBondContact OD1-O 3.42Å; N157-T193 VanDerWaalsContact OD1-O 3.13Å; I189-T193 HydrophobicContact CG2-CG2 4.08Å; M190-T193 WeakPolarHBondContact O-CB 3.29Å; T193-L201 HydrophobicContact CG2-CD2 3.75Å
194	D	98.4	Very high	98.5	Very high	79 Å²	79	60.2 Å²	60.2	42%	0.422	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-78.3	168	164.6	-154.6	1	0	0	0	110.2
195	V	98.4	Very high	98.5	Very high	16 Å²	16	56.5 Å²	56.5	10%	0.097	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-86.4	118.5	173.7	-176.2	0	0	0	0	108.5	C127 L205	C127-V195 HydrophobicContact CB-CB 4.04Å; C127-V195 HydrophobicContact CB-CG2 3.66Å; V195-L205 HydrophobicContact CG1-CD2 4.17Å; V195-L205 HydrophobicContact CG2-CD2 3.68Å
196	P	98.1	Very high	98.5	Very high	53 Å²	53	54.9 Å²	54.9	34%	0.344	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-67.9	164.3	176.3	30.8	-35.5	0	0	0	111	Q198 L201 C202	P196-Q198 VanDerWaalsContact C-N 3.31Å; P196-Q198 WeakPolarHBondContact CG-O 3.38Å; P196-L201 HydrophobicContact CG-CB 4.12Å; P196-C202 HydrophobicContact CG-CB 4.36Å; P196-C202 WeakPolarHBondContact O-CB 3.49Å
197	D	95.9	Very high	98.5	Very high	135 Å²	135	54.9 Å²	54.9	72%	0.722	27%	0.272	S	S	*	.	S	Bend	trans	-73.7	-20.7	175.5	55.6	-7.7	0	0	0	113.3	C202	D197-C202 PolarHBondContact O-SG 3.14Å; D197-C202 VanDerWaalsContact O-SG 3.33Å
198	Q	97.4	Very high	98.5	Very high	149 Å²	149	50.3 Å²	50.3	70%	0.696	26%	0.255	S	S	*	.	S	Bend	trans	-149	169.7	177.8	63.2	177.6	15.8	0	0	112.9	P196	P196-Q198 VanDerWaalsContact C-N 3.31Å; P196-Q198 WeakPolarHBondContact CG-O 3.38Å
199	G	98.3	Very high	98.5	Very high	19 Å²	19	42.2 Å²	42.2	20%	0.196	23%	0.226	C	C	.	.	S	Bend	trans	86.9	-177.7	175.2	0	0	0	0	0	113.9	L201 C202 D203	G199-L201 PolarHBondContact O-N 3.16Å; G199-C202 WeakPolarHBondContact O-CA 3.39Å; G199-C202 VanDerWaalsContact O-CB 3.27Å; G199-C202 WeakPolarHBondContact O-CB 3.26Å; G199-C202 PolarHBondContact O-N 3.4Å; G199-D203 PolarHBondContact O-N 2.74Å
200	L	98.8	Very high	98.5	Very high	24 Å²	24	43.2 Å²	43.2	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-40.6	-52.1	-169.4	179.6	59.8	0	0	0	116.2	D179 L180 Q185 I189 D203 L204	D179-L200 HydrophobicContact CB-CB 4.18Å; L180-L200 HydrophobicContact CB-CD1 3.7Å; L180-L200 HydrophobicContact CD1-CD1 4.11Å; L180-L200 HydrophobicContact CG-CD1 4.37Å; Q185-L200 HydrophobicContact CB-CD2 3.63Å; I189-L200 HydrophobicContact CD1-CD2 4.37Å; L200-D203 PolarHBondContact O-N 3.39Å; L200-L204 HydrophobicContact CD1-CD1 3.85Å; L200-L204 HydrophobicContact CD1-CG 4.11Å; L200-L204 HydrophobicContact CG-CD1 4Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.27Å; L200-L204 PolarHBondContact O-N 3.46Å
201	L	98.8	Very high	98.4	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-69.1	-36.3	-178.1	177.4	58.9	0	0	0	112.2	I161 I189 T193 P196 G199 L205	I161-L201 HydrophobicContact CB-CD1 4.39Å; I161-L201 HydrophobicContact CD1-CD1 3.5Å; I161-L201 HydrophobicContact CG1-CD1 3.68Å; I161-L201 HydrophobicContact CG2-CD1 3.78Å; I189-L201 HydrophobicContact CD1-CB 4.37Å; I189-L201 HydrophobicContact CG2-CD2 4.47Å; T193-L201 HydrophobicContact CG2-CD2 3.75Å; P196-L201 HydrophobicContact CG-CB 4.12Å; G199-L201 PolarHBondContact O-N 3.16Å; L201-L205 HydrophobicContact CD1-CD1 4.08Å
202	C	98.8	Very high	98.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-50.2	172.9	-178.1	0	0	0	0	109.4	P196 D197 G199 L204 L205 W206 V223	P196-C202 HydrophobicContact CG-CB 4.36Å; P196-C202 WeakPolarHBondContact O-CB 3.49Å; D197-C202 PolarHBondContact O-SG 3.14Å; D197-C202 VanDerWaalsContact O-SG 3.33Å; G199-C202 WeakPolarHBondContact O-CA 3.39Å; G199-C202 VanDerWaalsContact O-CB 3.27Å; G199-C202 WeakPolarHBondContact O-CB 3.26Å; G199-C202 PolarHBondContact O-N 3.4Å; C202-L204 PolarHBondContact O-N 3.16Å; C202-L205 CarbonylContact O-C 3.49Å; C202-L205 WeakPolarHBondContact O-CA 3.41Å; C202-L205 PolarHBondContact O-N 3.32Å; C202-W206 WeakPolarHBondContact O-CB 3.44Å; C202-W206 VanDerWaalsContact O-CD1 3.28Å; C202-W206 PolarHBondContact O-N 3.05Å; C202-V223 WeakPolarHBondContact SG-CG2 3.17Å
203	D	98.9	Very high	98.2	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-38.3	-174.4	-58.9	-28.2	0	0	0	114	S177 G199 L200 L205 W206 S207 S224	S177-D203 VanDerWaalsContact CB-CB 3.47Å; S177-D203 WeakPolarHBondContact CB-OD2 3.17Å; S177-D203 PolarHBondContact OG-OD2 2.91Å; G199-D203 PolarHBondContact O-N 2.74Å; L200-D203 PolarHBondContact O-N 3.39Å; D203-L205 PolarHBondContact O-N 3.09Å; D203-L205 VanDerWaalsContact O-N 3.15Å; D203-W206 PolarHBondContact O-N 2.94Å; D203-S207 WeakPolarHBondContact O-CB 3.22Å; D203-S207 PolarHBondContact O-N 3.4Å; D203-S207 PolarHBondContact O-OG 2.94Å; D203-S224 VanDerWaalsContact CA-OG 3.25Å; D203-S224 WeakPolarHBondContact CA-OG 3.1Å; D203-S224 WeakPolarHBondContact OD1-CB 3.11Å; D203-S224 PolarHBondContact OD1-OG 3.35Å
204	L	98.9	Very high	98.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-21.5	174.4	-75.3	168	0	0	0	113	I161 F170 C172 G174 L180 I186 L200 C202	I161-L204 HydrophobicContact CG2-CB 3.94Å; I161-L204 HydrophobicContact CG2-CD1 3.72Å; I161-L204 HydrophobicContact CG2-CG 4.44Å; F170-L204 HydrophobicContact CE1-CD2 4.39Å; F170-L204 HydrophobicContact CZ-CD2 3.93Å; C172-L204 HydrophobicContact CB-CD2 4.4Å; G174-L204 WeakPolarHBondContact CA-O 3.24Å; G174-L204 PolarHBondContact N-O 2.93Å; L180-L204 HydrophobicContact CD2-CD2 4.3Å; I186-L204 HydrophobicContact CD1-CD1 4.11Å; I186-L204 HydrophobicContact CD1-CD2 4.32Å; I186-L204 HydrophobicContact CG1-CD1 4.05Å; L200-L204 HydrophobicContact CD1-CD1 3.85Å; L200-L204 HydrophobicContact CD1-CG 4.11Å; L200-L204 HydrophobicContact CG-CD1 4Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.27Å; L200-L204 PolarHBondContact O-N 3.46Å; C202-L204 PolarHBondContact O-N 3.16Å
205	L	98.9	Very high	98.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-107.1	-15.8	-179.7	-87.4	63	0	0	0	113.3	R122 G123 N124 I161 H173 V195 L201 C202 D203	R122-L205 HydrophobicContact CG-CD2 4.16Å; G123-L205 WeakPolarHBondContact O-CD2 3.34Å; N124-L205 HydrophobicContact CB-CB 4.27Å; I161-L205 HydrophobicContact CD1-CD1 4.4Å; I161-L205 HydrophobicContact CG2-CD1 3.82Å; H173-L205 PolarHBondContact CD2-O 2.72Å; V195-L205 HydrophobicContact CG1-CD2 4.17Å; V195-L205 HydrophobicContact CG2-CD2 3.68Å; L201-L205 HydrophobicContact CD1-CD1 4.08Å; C202-L205 CarbonylContact O-C 3.49Å; C202-L205 WeakPolarHBondContact O-CA 3.41Å; C202-L205 PolarHBondContact O-N 3.32Å; D203-L205 PolarHBondContact O-N 3.09Å; D203-L205 VanDerWaalsContact O-N 3.15Å
206	W	98.8	Very high	98.1	Very high	34 Å²	34	53.3 Å²	53.3	13%	0.129	27%	0.271	C	S	.	.	H	α-helix	trans	-129.1	-19.4	-169.1	-76.5	100.7	0	0	0	116.1	N124 I130 C202 D203 N219 V223 H248	N124-W206 HydrophobicContact CB-CD2 3.87Å; N124-W206 VanDerWaalsContact CB-CE2 3.46Å; N124-W206 HydrophobicContact CB-CE3 4.43Å; N124-W206 HydrophobicContact CB-CG 4.33Å; N124-W206 HydrophobicContact CB-CH2 4.33Å; N124-W206 HydrophobicContact CB-CZ2 3.73Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.48Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.16Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.2Å; I130-W206 HydrophobicContact CD1-CH2 3.7Å; I130-W206 HydrophobicContact CD1-CZ2 3.61Å; I130-W206 HydrophobicContact CG1-CH2 4.22Å; I130-W206 HydrophobicContact CG1-CZ2 3.76Å; C202-W206 WeakPolarHBondContact O-CB 3.44Å; C202-W206 VanDerWaalsContact O-CD1 3.28Å; C202-W206 PolarHBondContact O-N 3.05Å; D203-W206 PolarHBondContact O-N 2.94Å; W206-N219 PolarHBondContact O-ND2 3.27Å; W206-V223 HydrophobicContact CB-CG1 4.32Å; W206-V223 HydrophobicContact CB-CG2 4.42Å; W206-V223 HydrophobicContact CD2-CG1 3.57Å; W206-V223 HydrophobicContact CD2-CG2 4.24Å; W206-V223 HydrophobicContact CE3-CG1 3.27Å; W206-V223 HydrophobicContact CG-CG1 4.08Å; W206-V223 HydrophobicContact CG-CG2 4.11Å; W206-V223 HydrophobicContact CH2-CG1 4.27Å; W206-V223 HydrophobicContact CZ3-CG1 3.65Å; W206-H248 AromaticContact CE3-CE1 3.86Å; W206-H248 AromaticContact CE3-NE2 3.98Å
207	S	98.9	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.			trans	-71.4	151.5	-176	61.1	0	0	0	0	112.4	G174 G175 L176 D203 F225 R246	G174-S207 CarbonylContact C-O 3.59Å; G175-S207 WeakPolarHBondContact CA-OG 3.36Å; G175-S207 PolarHBondContact N-O 3.23Å; G175-S207 PolarHBondContact N-OG 3.33Å; G175-S207 VanDerWaalsContact N-OG 3.11Å; L176-S207 PolarHBondContact N-OG 3.44Å; L176-S207 WeakPolarHBondContact O-CB 3.39Å; L176-S207 PolarHBondContact O-OG 3.03Å; D203-S207 WeakPolarHBondContact O-CB 3.22Å; D203-S207 PolarHBondContact O-N 3.4Å; D203-S207 PolarHBondContact O-OG 2.94Å; S207-F225 WeakPolarHBondContact CA-O 3.48Å; S207-F225 VanDerWaalsContact CB-O 3.29Å; S207-F225 WeakPolarHBondContact CB-O 3.36Å; S207-R246 PolarHBondContact O-NH2 3.42Å
208	D	98.9	Very high	98.2	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.2	-178	-73	-53.8	0	0	0	112.5	N219 R221 F225 T226 F227 R246 H248 Q249	D208-N219 PolarHBondContact OD2-ND2 2.91Å; D208-R221 IonicContact OD1-NH2 3.53Å; D208-R221 IonicContact OD2-CZ 2.91Å; D208-R221 IonicContact OD2-NE 3.46Å; D208-R221 PolarHBondContact OD2-NE 2.86Å; D208-R221 IonicContact OD2-NH2 3.75Å; D208-R221 PolarHBondContact OD2-NH2 3.2Å; D208-F225 PolarHBondContact N-O 2.94Å; D208-T226 HydrophobicContact CB-CG2 4.46Å; D208-T226 CarbonylContact O-C 3.53Å; D208-T226 WeakPolarHBondContact O-CA 3.22Å; D208-F227 VanDerWaalsContact C-CE1 3.41Å; D208-F227 VanDerWaalsContact O-CD1 3.28Å; D208-F227 WeakPolarHBondContact O-CD1 3.44Å; D208-F227 WeakPolarHBondContact O-CE1 3.43Å; D208-F227 PolarHBondContact O-N 2.88Å; D208-R246 IonicContact OD1-CZ 2.74Å; D208-R246 IonicContact OD1-NH1 3.92Å; D208-R246 PolarHBondContact OD1-NH1 2.97Å; D208-R246 VanDerWaalsContact OD1-NH1 3.15Å; D208-R246 IonicContact OD1-NH2 3.94Å; D208-R246 PolarHBondContact OD1-NH2 3.03Å; D208-H248 IonicContact OD1-CD2 3.44Å; D208-H248 PolarHBondContact OD1-CD2 3.4Å; D208-H248 VanDerWaalsContact OD1-CD2 3.3Å; D208-H248 IonicContact OD2-CD2 3.56Å; D208-Q249 VanDerWaalsContact OD1-CG 3.26Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.23Å; D208-Q249 PolarHBondContact OD1-OE1 2.69Å
209	P	98.7	Very high	98.2	Very high	16 Å²	16	47.6 Å²	47.6	10%	0.104	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140	168.6	30.2	-34	0	0	0	111	F227 F258 L263	P209-F227 WeakPolarHBondContact CA-O 3.39Å; P209-F227 HydrophobicContact CB-CE2 3.97Å; P209-F227 HydrophobicContact CB-CZ 4.09Å; P209-F258 HydrophobicContact CB-CD1 3.72Å; P209-F258 HydrophobicContact CB-CD2 4.24Å; P209-F258 HydrophobicContact CB-CE1 3.76Å; P209-F258 HydrophobicContact CB-CE2 4.29Å; P209-F258 HydrophobicContact CB-CG 3.95Å; P209-F258 HydrophobicContact CB-CZ 4.05Å; P209-L263 HydrophobicContact CB-CD1 4.37Å; P209-L263 HydrophobicContact CB-CD2 4.48Å; P209-L263 HydrophobicContact CG-CD2 4.08Å
210	D	98.4	Very high	98.1	Very high	53 Å²	53	54.8 Å²	54.8	28%	0.283	28%	0.275	S	S	.	.			trans	-136.2	130.4	173.5	-168.5	-31.1	0	0	0	110.5	D212 V213 T226 F227 G228	D210-D212 VanDerWaalsContact C-N 3.35Å; D210-D212 PolarHBondContact OD1-N 3.25Å; D210-V213 HydrophobicContact CB-CB 4.02Å; D210-V213 HydrophobicContact CB-CG2 3.7Å; D210-T226 HydrophobicContact CB-CG2 4.14Å; D210-F227 PolarHBondContact N-O 2.98Å; D210-G228 WeakPolarHBondContact O-CA 3.33Å
211	K	97.2	Very high	97.9	Very high	166 Å²	166	58.7 Å²	58.7	72%	0.722	29%	0.288	S	S	*	.	S	Bend	trans	-75.3	-24.7	-178.1	67.5	-174.6	178.2	-173.7	0	113.1	F258	K211-F258 HydrophobicContact CB-CE2 4.06Å
212	D	97.3	Very high	97.8	Very high	134 Å²	134	61.7 Å²	61.7	72%	0.717	32%	0.322	S	S	*	.	S	Bend	trans	-94.2	-6.6	-175.2	-62.2	-46.8	0	0	0	111.4	D210	D210-D212 VanDerWaalsContact C-N 3.35Å; D210-D212 PolarHBondContact OD1-N 3.25Å
213	V	96.9	Very high	97.7	Very high	28 Å²	28	63.1 Å²	63.1	17%	0.17	33%	0.331	C	S	.	.			trans	-91.6	133.1	176.5	172.7	0	0	0	0	111.8	D210 G228	D210-V213 HydrophobicContact CB-CB 4.02Å; D210-V213 HydrophobicContact CB-CG2 3.7Å; V213-G228 VanDerWaalsContact O-CA 3.23Å; V213-G228 WeakPolarHBondContact O-CA 3.33Å
214	Q	96.3	Very high	97.7	Very high	182 Å²	182	64.1 Å²	64.1	85%	0.85	34%	0.338	S	S	*	.	S	Bend	trans	-101.7	120.9	165.5	-68.6	-173.6	-10.4	0	0	109.7	W216	Q214-W216 PolarHBondContact O-N 2.88Å
215	G	97.9	Very high	97.6	Very high	20 Å²	20	68 Å²	68	21%	0.206	36%	0.355	C	S	.	.	S	Bend	trans	74.7	-121.4	-173.7	0	0	0	0	0	111.6	F227 G228 V231	G215-F227 WeakPolarHBondContact O-CA 3.34Å; G215-G228 PolarHBondContact O-N 3.43Å; G215-V231 WeakPolarHBondContact O-CG2 3.4Å
216	W	98.6	Very high	97.6	Very high	89 Å²	89	68.4 Å²	68.4	34%	0.337	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.7	-179.5	-62.2	95.8	0	0	0	110.5	L176 P178 Q214 F225 T226 F227 V231	L176-W216 HydrophobicContact CB-CH2 3.77Å; L176-W216 WeakPolarHBondContact O-CH2 3.43Å; L176-W216 WeakPolarHBondContact O-CZ3 3.26Å; P178-W216 VanDerWaalsContact CA-CZ2 3.43Å; P178-W216 HydrophobicContact CB-CD2 4.07Å; P178-W216 HydrophobicContact CB-CG 4.47Å; P178-W216 HydrophobicContact CB-CZ2 3.97Å; P178-W216 HydrophobicContact CG-CD2 4.4Å; P178-W216 HydrophobicContact CG-CE3 4.49Å; Q214-W216 PolarHBondContact O-N 2.88Å; W216-F225 HydrophobicContact CE3-CB 3.73Å; W216-F225 HydrophobicContact CE3-CG 4.3Å; W216-F225 HydrophobicContact CZ3-CB 4.26Å; W216-T226 CarbonylContact C-O 3.57Å; W216-T226 WeakPolarHBondContact CA-O 3.18Å; W216-F227 HydrophobicContact CD2-CB 4.39Å; W216-F227 HydrophobicContact CE3-CB 3.76Å; W216-F227 HydrophobicContact CH2-CB 4.12Å; W216-F227 HydrophobicContact CZ3-CB 3.62Å; W216-F227 HydrophobicContact CZ3-CD1 4.1Å; W216-F227 HydrophobicContact CZ3-CG 4.18Å; W216-V231 HydrophobicContact CH2-CG1 4.02Å; W216-V231 HydrophobicContact CZ2-CG1 3.55Å
217	G	98.1	Very high	97.6	Very high	19 Å²	19	66.8 Å²	66.8	20%	0.196	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	172.6	179.4	0	0	0	0	0	112.7	F225 T226	G217-F225 WeakPolarHBondContact O-CA 3.49Å; G217-T226 VanDerWaalsContact CA-OG1 3.28Å; G217-T226 WeakPolarHBondContact CA-OG1 3.45Å; G217-T226 PolarHBondContact N-O 2.88Å; G217-T226 PolarHBondContact O-N 3.06Å; G217-T226 PolarHBondContact O-OG1 3.18Å
218	E	96.8	Very high	97.6	Very high	181 Å²	181	66.8 Å²	66.8	85%	0.846	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	150.7	170.2	-66.4	-173.7	172.7	0	0	110.2	T226	E218-T226 WeakPolarHBondContact O-CG2 3.45Å; E218-T226 PolarHBondContact O-OG1 2.9Å
219	N	97.8	Very high	97.6	Very high	16 Å²	16	68.6 Å²	68.6	9%	0.086	37%	0.366	C	S	.	.			trans	-110.2	125.6	176.2	-168.4	-38.1	0	0	0	109.6	W206 D208 R221 G222 V223 F225 T226	W206-N219 PolarHBondContact O-ND2 3.27Å; D208-N219 PolarHBondContact OD2-ND2 2.91Å; N219-R221 PolarHBondContact O-N 2.99Å; N219-R221 VanDerWaalsContact OD1-CB 3.32Å; N219-R221 WeakPolarHBondContact OD1-CB 3.47Å; N219-R221 VanDerWaalsContact OD1-CG 3.24Å; N219-R221 WeakPolarHBondContact OD1-CG 3.4Å; N219-R221 PolarHBondContact OD1-N 3.05Å; N219-G222 PolarHBondContact O-N 3.47Å; N219-V223 WeakPolarHBondContact CB-O 3.5Å; N219-F225 PolarHBondContact ND2-O 2.9Å; N219-T226 HydrophobicContact CB-CG2 4.24Å
220	D	95.9	Very high	97.6	Very high	171 Å²	171	72.7 Å²	72.7	91%	0.914	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.7	-179.8	-73.2	-15.5	0	0	0	113.5	G222	D220-G222 PolarHBondContact O-N 3.33Å
221	R	95.1	Very high	97.6	Very high	106 Å²	106	71.1 Å²	71.1	40%	0.4	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.7	171.5	-62.2	177.3	-170.8	-95.3	14.8	113.2	D208 N219 V223 H248	D208-R221 IonicContact OD1-NH2 3.53Å; D208-R221 IonicContact OD2-CZ 2.91Å; D208-R221 IonicContact OD2-NE 3.46Å; D208-R221 PolarHBondContact OD2-NE 2.86Å; D208-R221 IonicContact OD2-NH2 3.75Å; D208-R221 PolarHBondContact OD2-NH2 3.2Å; N219-R221 PolarHBondContact O-N 2.99Å; N219-R221 VanDerWaalsContact OD1-CB 3.32Å; N219-R221 WeakPolarHBondContact OD1-CB 3.47Å; N219-R221 VanDerWaalsContact OD1-CG 3.24Å; N219-R221 WeakPolarHBondContact OD1-CG 3.4Å; N219-R221 PolarHBondContact OD1-N 3.05Å; R221-V223 HydrophobicContact CB-CG1 3.93Å; R221-V223 PolarHBondContact O-N 3.23Å; R221-H248 PolarHBondContact NE-NE2 2.77Å; R221-H248 PolarHBondContact NH2-CD2 3.1Å; R221-H248 VanDerWaalsContact NH2-CD2 3.34Å; R221-H248 PolarHBondContact NH2-NE2 3.29Å; R221-H248 PolarHBondContact NH2-O 3.44Å
222	G	96.4	Very high	97.7	Very high	75 Å²	75	63.2 Å²	63.2	77%	0.773	34%	0.342	S	S	*	.	S	Bend	trans	72.4	16.2	-175.7	0	0	0	0	0	113.8	N219 D220	N219-G222 PolarHBondContact O-N 3.47Å; D220-G222 PolarHBondContact O-N 3.33Å
223	V	97	Very high	97.8	Very high	30 Å²	30	58.5 Å²	58.5	18%	0.182	32%	0.322	C	S	.	.	S	Bend	trans	-146.2	143.1	179.9	59.8	0	0	0	0	109.6	C202 W206 N219 R221	C202-V223 WeakPolarHBondContact SG-CG2 3.17Å; W206-V223 HydrophobicContact CB-CG1 4.32Å; W206-V223 HydrophobicContact CB-CG2 4.42Å; W206-V223 HydrophobicContact CD2-CG1 3.57Å; W206-V223 HydrophobicContact CD2-CG2 4.24Å; W206-V223 HydrophobicContact CE3-CG1 3.27Å; W206-V223 HydrophobicContact CG-CG1 4.08Å; W206-V223 HydrophobicContact CG-CG2 4.11Å; W206-V223 HydrophobicContact CH2-CG1 4.27Å; W206-V223 HydrophobicContact CZ3-CG1 3.65Å; N219-V223 WeakPolarHBondContact CB-O 3.5Å; R221-V223 HydrophobicContact CB-CG1 3.93Å; R221-V223 PolarHBondContact O-N 3.23Å
224	S	98.2	Very high	97.9	Very high	22 Å²	22	63.2 Å²	63.2	15%	0.154	34%	0.34	C	S	.	.	S	Bend	trans	56	-152.1	-176.1	-167.3	0	0	0	0	113.1	D203	D203-S224 VanDerWaalsContact CA-OG 3.25Å; D203-S224 WeakPolarHBondContact CA-OG 3.1Å; D203-S224 WeakPolarHBondContact OD1-CB 3.11Å; D203-S224 PolarHBondContact OD1-OG 3.35Å
225	F	98.6	Very high	98	Very high	81 Å²	81	55.3 Å²	55.3	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	160.9	-169.3	-59.3	-82.1	0	0	0	111.8	P178 S207 D208 W216 G217 N219	P178-F225 HydrophobicContact CG-CD2 4Å; P178-F225 HydrophobicContact CG-CE2 3.86Å; P178-F225 HydrophobicContact CG-CZ 4.48Å; S207-F225 WeakPolarHBondContact CA-O 3.48Å; S207-F225 VanDerWaalsContact CB-O 3.29Å; S207-F225 WeakPolarHBondContact CB-O 3.36Å; D208-F225 PolarHBondContact N-O 2.94Å; W216-F225 HydrophobicContact CE3-CB 3.73Å; W216-F225 HydrophobicContact CE3-CG 4.3Å; W216-F225 HydrophobicContact CZ3-CB 4.26Å; G217-F225 WeakPolarHBondContact O-CA 3.49Å; N219-F225 PolarHBondContact ND2-O 2.9Å
226	T	98.8	Very high	98	Very high	10 Å²	10	54.5 Å²	54.5	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	153.9	157.9	47.8	0	0	0	0	110.4	D208 D210 W216 G217 E218 N219	D208-T226 HydrophobicContact CB-CG2 4.46Å; D208-T226 CarbonylContact O-C 3.53Å; D208-T226 WeakPolarHBondContact O-CA 3.22Å; D210-T226 HydrophobicContact CB-CG2 4.14Å; W216-T226 CarbonylContact C-O 3.57Å; W216-T226 WeakPolarHBondContact CA-O 3.18Å; G217-T226 VanDerWaalsContact CA-OG1 3.28Å; G217-T226 WeakPolarHBondContact CA-OG1 3.45Å; G217-T226 PolarHBondContact N-O 2.88Å; G217-T226 PolarHBondContact O-N 3.06Å; G217-T226 PolarHBondContact O-OG1 3.18Å; E218-T226 WeakPolarHBondContact O-CG2 3.45Å; E218-T226 PolarHBondContact O-OG1 2.9Å; N219-T226 HydrophobicContact CB-CG2 4.24Å
227	F	98.9	Very high	98	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.5	178.3	59.6	-89.7	0	0	0	113.7	L176 D208 P209 D210 G215 W216 V231 V232 L263	L176-F227 HydrophobicContact CB-CD1 4.43Å; L176-F227 HydrophobicContact CB-CE1 4.45Å; L176-F227 HydrophobicContact CB-CG 4.48Å; L176-F227 HydrophobicContact CB-CZ 4.5Å; L176-F227 HydrophobicContact CD1-CD2 4.3Å; L176-F227 HydrophobicContact CD1-CE2 4.29Å; L176-F227 HydrophobicContact CG-CE2 4.24Å; L176-F227 HydrophobicContact CG-CZ 4.4Å; D208-F227 VanDerWaalsContact C-CE1 3.41Å; D208-F227 VanDerWaalsContact O-CD1 3.28Å; D208-F227 WeakPolarHBondContact O-CD1 3.44Å; D208-F227 WeakPolarHBondContact O-CE1 3.43Å; D208-F227 PolarHBondContact O-N 2.88Å; P209-F227 WeakPolarHBondContact CA-O 3.39Å; P209-F227 HydrophobicContact CB-CE2 3.97Å; P209-F227 HydrophobicContact CB-CZ 4.09Å; D210-F227 PolarHBondContact N-O 2.98Å; G215-F227 WeakPolarHBondContact O-CA 3.34Å; W216-F227 HydrophobicContact CD2-CB 4.39Å; W216-F227 HydrophobicContact CE3-CB 3.76Å; W216-F227 HydrophobicContact CH2-CB 4.12Å; W216-F227 HydrophobicContact CZ3-CB 3.62Å; W216-F227 HydrophobicContact CZ3-CD1 4.1Å; W216-F227 HydrophobicContact CZ3-CG 4.18Å; F227-V231 HydrophobicContact CB-CB 4.22Å; F227-V231 HydrophobicContact CB-CG1 4.23Å; F227-V231 HydrophobicContact CB-CG2 4.38Å; F227-V232 HydrophobicContact CD2-CG2 3.88Å; F227-V232 HydrophobicContact CE2-CG2 3.69Å; F227-L263 HydrophobicContact CE2-CD1 3.78Å; F227-L263 HydrophobicContact CZ-CD1 3.98Å
228	G	98.7	Very high	98.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.328	C	S	.	.			trans	-81.1	167.6	-177.4	0	0	0	0	0	114.7	D210 V213 G215 E230 V231 V232	D210-G228 WeakPolarHBondContact O-CA 3.33Å; V213-G228 VanDerWaalsContact O-CA 3.23Å; V213-G228 WeakPolarHBondContact O-CA 3.33Å; G215-G228 PolarHBondContact O-N 3.43Å; G228-E230 PolarHBondContact O-N 2.85Å; G228-E230 VanDerWaalsContact O-N 3.16Å; G228-V231 WeakPolarHBondContact O-CB 3.45Å; G228-V231 PolarHBondContact O-N 3.11Å; G228-V232 PolarHBondContact O-N 2.78Å
229	A	98.7	Very high	98.2	Very high	41 Å²	41	56.1 Å²	56.1	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-29	178	0	0	0	0	0	113.8	V232 A233 F258 A259	A229-V232 PolarHBondContact O-N 3.43Å; A229-A233 PolarHBondContact O-N 3.03Å; A229-F258 HydrophobicContact CB-CE1 4.06Å; A229-F258 HydrophobicContact CB-CZ 3.96Å; A229-A259 HydrophobicContact CB-CB 3.68Å
230	E	98.3	Very high	98.2	Very high	102 Å²	102	60.7 Å²	60.7	48%	0.477	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-37	175.6	-169.9	-169.1	168.9	0	0	112.2	G228 V232 A233 K234	G228-E230 PolarHBondContact O-N 2.85Å; G228-E230 VanDerWaalsContact O-N 3.16Å; E230-V232 VanDerWaalsContact C-N 3.34Å; E230-A233 PolarHBondContact O-N 3.16Å; E230-K234 HydrophobicContact CG-CD 4.13Å; E230-K234 WeakPolarHBondContact O-CB 3.18Å; E230-K234 WeakPolarHBondContact O-CG 3.29Å; E230-K234 PolarHBondContact O-N 2.76Å; E230-K234 WeakPolarHBondContact OE1-CE 3.27Å; E230-K234 IonicContact OE1-NZ 3.55Å; E230-K234 PolarHBondContact OE1-NZ 3.43Å
231	V	98.8	Very high	98.3	Very high	20 Å²	20	53.1 Å²	53.1	12%	0.121	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-44.2	177.3	-179.7	0	0	0	0	109.7	L176 G215 W216 F227 G228 K234 F235	L176-V231 HydrophobicContact CD1-CG1 3.91Å; G215-V231 WeakPolarHBondContact O-CG2 3.4Å; W216-V231 HydrophobicContact CH2-CG1 4.02Å; W216-V231 HydrophobicContact CZ2-CG1 3.55Å; F227-V231 HydrophobicContact CB-CB 4.22Å; F227-V231 HydrophobicContact CB-CG1 4.23Å; F227-V231 HydrophobicContact CB-CG2 4.38Å; G228-V231 WeakPolarHBondContact O-CB 3.45Å; G228-V231 PolarHBondContact O-N 3.11Å; V231-K234 PolarHBondContact O-N 3.37Å; V231-F235 VanDerWaalsContact O-CB 3.3Å; V231-F235 WeakPolarHBondContact O-CB 3.4Å; V231-F235 PolarHBondContact O-N 3.26Å
232	V	98.9	Very high	98.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.3	-53.7	173.9	172.1	0	0	0	0	110.9	L176 F227 G228 A229 E230 K234 F235 L236 I244 F258 A259 Q262 L263	L176-V232 HydrophobicContact CD1-CG2 4.46Å; F227-V232 HydrophobicContact CD2-CG2 3.88Å; F227-V232 HydrophobicContact CE2-CG2 3.69Å; G228-V232 PolarHBondContact O-N 2.78Å; A229-V232 PolarHBondContact O-N 3.43Å; E230-V232 VanDerWaalsContact C-N 3.34Å; V232-K234 VanDerWaalsContact C-N 3.35Å; V232-K234 PolarHBondContact O-N 2.81Å; V232-F235 PolarHBondContact O-N 2.98Å; V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 WeakPolarHBondContact O-CG 3.4Å; V232-L236 PolarHBondContact O-N 3.33Å; V232-I244 HydrophobicContact CB-CD1 4.46Å; V232-I244 HydrophobicContact CG1-CD1 4.01Å; V232-I244 HydrophobicContact CG2-CD1 4.25Å; V232-F258 HydrophobicContact CG2-CD1 4.13Å; V232-F258 HydrophobicContact CG2-CE1 3.92Å; V232-A259 HydrophobicContact CB-CB 4.13Å; V232-A259 HydrophobicContact CG1-CB 3.97Å; V232-Q262 HydrophobicContact CG1-CB 3.72Å; V232-L263 HydrophobicContact CG1-CB 4.27Å; V232-L263 HydrophobicContact CG2-CD1 4.11Å
233	A	98.8	Very high	98.6	Very high	36 Å²	36	50 Å²	50	30%	0.298	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-42.4	-177.8	0	0	0	0	0	112.6	A229 E230 H237	A229-A233 PolarHBondContact O-N 3.03Å; E230-A233 PolarHBondContact O-N 3.16Å; A233-H237 VanDerWaalsContact O-CB 3.31Å; A233-H237 WeakPolarHBondContact O-CB 3.45Å; A233-H237 PolarHBondContact O-N 3.38Å
234	K	98.8	Very high	98.7	Very high	127 Å²	127	48.6 Å²	48.6	55%	0.552	25%	0.247	S	C	*	.	H	α-helix	trans	-64.9	-42.9	176.9	-78.2	173.9	168.5	172	0	112.2	E230 V231 V232 K238	E230-K234 HydrophobicContact CG-CD 4.13Å; E230-K234 WeakPolarHBondContact O-CB 3.18Å; E230-K234 WeakPolarHBondContact O-CG 3.29Å; E230-K234 PolarHBondContact O-N 2.76Å; E230-K234 WeakPolarHBondContact OE1-CE 3.27Å; E230-K234 IonicContact OE1-NZ 3.55Å; E230-K234 PolarHBondContact OE1-NZ 3.43Å; V231-K234 PolarHBondContact O-N 3.37Å; V232-K234 VanDerWaalsContact C-N 3.35Å; V232-K234 PolarHBondContact O-N 2.81Å; K234-K238 VanDerWaalsContact O-CB 3.22Å; K234-K238 WeakPolarHBondContact O-CB 3.41Å; K234-K238 PolarHBondContact O-N 3.48Å
235	F	98.9	Very high	98.8	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.066	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-51.5	178.8	175.5	-96.3	0	0	0	111.2	F170 L176 L180 M183 V231 V232 H237 K238 H239 L241 I244	F170-F235 HydrophobicContact CB-CE1 4.26Å; F170-F235 HydrophobicContact CD1-CE1 4.1Å; F170-F235 HydrophobicContact CD1-CZ 4.2Å; F170-F235 HydrophobicContact CD2-CZ 4.36Å; F170-F235 HydrophobicContact CE1-CZ 4.39Å; F170-F235 HydrophobicContact CG-CE1 4.1Å; F170-F235 HydrophobicContact CG-CZ 4.18Å; L176-F235 HydrophobicContact CD1-CB 3.77Å; L176-F235 HydrophobicContact CD1-CD1 4.26Å; L176-F235 HydrophobicContact CD1-CD2 4.45Å; L176-F235 HydrophobicContact CD1-CG 3.92Å; L176-F235 HydrophobicContact CD2-CD1 3.71Å; L176-F235 HydrophobicContact CD2-CD2 3.86Å; L176-F235 HydrophobicContact CD2-CE1 3.71Å; L176-F235 HydrophobicContact CD2-CE2 3.88Å; L176-F235 HydrophobicContact CD2-CG 3.77Å; L176-F235 HydrophobicContact CD2-CZ 3.77Å; L180-F235 HydrophobicContact CD2-CE2 3.59Å; L180-F235 HydrophobicContact CD2-CZ 4.02Å; L180-F235 HydrophobicContact CG-CE2 4.06Å; M183-F235 HydrophobicContact CE-CE1 4.35Å; M183-F235 HydrophobicContact CE-CE2 4.17Å; M183-F235 HydrophobicContact CE-CZ 3.54Å; V231-F235 VanDerWaalsContact O-CB 3.3Å; V231-F235 WeakPolarHBondContact O-CB 3.4Å; V231-F235 PolarHBondContact O-N 3.26Å; V232-F235 PolarHBondContact O-N 2.98Å; F235-H237 PolarHBondContact O-N 3.11Å; F235-K238 PolarHBondContact O-N 3.43Å; F235-H239 AromaticContact CD2-CD2 3.59Å; F235-H239 AromaticContact CE2-CD2 3.51Å; F235-H239 AromaticContact CE2-NE2 3.88Å; F235-H239 PolarHBondContact O-CD2 3.43Å; F235-H239 VanDerWaalsContact O-CD2 3.29Å; F235-H239 PolarHBondContact O-N 2.88Å; F235-H239 VanDerWaalsContact O-N 3.12Å; F235-L241 HydrophobicContact CD1-CD1 4.33Å; F235-L241 HydrophobicContact CE1-CD1 3.61Å; F235-L241 HydrophobicContact CZ-CD1 4.2Å; F235-I244 HydrophobicContact CD1-CD1 3.94Å; F235-I244 HydrophobicContact CD1-CG1 4.29Å; F235-I244 HydrophobicContact CE1-CD1 4.37Å; F235-I244 HydrophobicContact CE1-CG1 4.37Å
236	L	98.8	Very high	98.8	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-48	179.2	-71.7	177.6	0	0	0	111.6	V232 K238 H239 D240 L241 I244 Q262	V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 WeakPolarHBondContact O-CG 3.4Å; V232-L236 PolarHBondContact O-N 3.33Å; L236-K238 PolarHBondContact O-N 2.7Å; L236-H239 PolarHBondContact O-N 3.32Å; L236-D240 PolarHBondContact O-N 2.74Å; L236-L241 WeakPolarHBondContact CB-O 3.42Å; L236-L241 HydrophobicContact CD2-CB 3.42Å; L236-L241 VanDerWaalsContact CD2-CB 3.42Å; L236-L241 HydrophobicContact CD2-CD1 4.38Å; L236-L241 PolarHBondContact O-N 3.22Å; L236-I244 HydrophobicContact CD2-CG1 3.94Å; L236-I244 HydrophobicContact CG-CG1 4.46Å; L236-Q262 HydrophobicContact CD1-CB 3.53Å; L236-Q262 HydrophobicContact CD1-CG 4Å
237	H	98.8	Very high	98.8	Very high	166 Å²	166	43.2 Å²	43.2	77%	0.769	22%	0.22	S	C	*	.	H	α-helix	trans	-61.4	-42.4	178.3	-176.9	63.9	0	0	0	112.8	A233 F235 H239	A233-H237 VanDerWaalsContact O-CB 3.31Å; A233-H237 WeakPolarHBondContact O-CB 3.45Å; A233-H237 PolarHBondContact O-N 3.38Å; F235-H237 PolarHBondContact O-N 3.11Å; H237-H239 VanDerWaalsContact C-N 3.28Å; H237-H239 PolarHBondContact O-N 3.19Å
238	K	98.7	Very high	98.8	Very high	109 Å²	109	43.7 Å²	43.7	47%	0.474	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-33.5	-179.7	177.6	179.4	174.1	-171.7	0	112.7	Q181 K234 F235 L236	Q181-K238 WeakPolarHBondContact O-CE 3.36Å; Q181-K238 PolarHBondContact O-NZ 3.05Å; K234-K238 VanDerWaalsContact O-CB 3.22Å; K234-K238 WeakPolarHBondContact O-CB 3.41Å; K234-K238 PolarHBondContact O-N 3.48Å; F235-K238 PolarHBondContact O-N 3.43Å; L236-K238 PolarHBondContact O-N 2.7Å
239	H	98.6	Very high	98.8	Very high	48 Å²	48	46.5 Å²	46.5	22%	0.222	24%	0.235	C	C	.	.	H	α-helix	trans	-106.6	7.5	-174	-66.4	-65.3	0	0	0	113.7	M183 F235 L236 H237 L241	M183-H239 HydrophobicContact CE-CB 4.28Å; F235-H239 AromaticContact CD2-CD2 3.59Å; F235-H239 AromaticContact CE2-CD2 3.51Å; F235-H239 AromaticContact CE2-NE2 3.88Å; F235-H239 PolarHBondContact O-CD2 3.43Å; F235-H239 VanDerWaalsContact O-CD2 3.29Å; F235-H239 PolarHBondContact O-N 2.88Å; F235-H239 VanDerWaalsContact O-N 3.12Å; L236-H239 PolarHBondContact O-N 3.32Å; H237-H239 VanDerWaalsContact C-N 3.28Å; H237-H239 PolarHBondContact O-N 3.19Å; H239-L241 VanDerWaalsContact C-N 3.26Å; H239-L241 HydrophobicContact CB-CD1 3.81Å; H239-L241 HydrophobicContact CB-CG 4.04Å; H239-L241 PolarHBondContact O-N 3.01Å
240	D	98.6	Very high	98.7	Very high	112 Å²	112	46.8 Å²	46.8	60%	0.599	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	40	-176.3	-165.3	45.2	0	0	0	114	K168 L236	K168-D240 VanDerWaalsContact NZ-CG 3.29Å; K168-D240 PolarHBondContact NZ-O 2.91Å; K168-D240 IonicContact NZ-OD1 2.83Å; K168-D240 IonicContact NZ-OD2 3.45Å; K168-D240 PolarHBondContact NZ-OD2 3.14Å; L236-D240 PolarHBondContact O-N 2.74Å
241	L	98.8	Very high	98.7	Very high	13 Å²	13	42.4 Å²	42.4	7%	0.068	21%	0.213	C	C	.	.			trans	-101.3	157	177.9	-65.6	165.6	0	0	0	110.8	I164 E167 F170 M183 F235 L236 H239	I164-L241 HydrophobicContact CG2-CD2 4.23Å; E167-L241 WeakPolarHBondContact O-CD2 3.21Å; F170-L241 HydrophobicContact CB-CD1 3.73Å; F170-L241 HydrophobicContact CB-CD2 4.5Å; M183-L241 HydrophobicContact CE-CD1 3.95Å; F235-L241 HydrophobicContact CD1-CD1 4.33Å; F235-L241 HydrophobicContact CE1-CD1 3.61Å; F235-L241 HydrophobicContact CZ-CD1 4.2Å; L236-L241 WeakPolarHBondContact CB-O 3.42Å; L236-L241 HydrophobicContact CD2-CB 3.42Å; L236-L241 VanDerWaalsContact CD2-CB 3.42Å; L236-L241 HydrophobicContact CD2-CD1 4.38Å; L236-L241 PolarHBondContact O-N 3.22Å; H239-L241 VanDerWaalsContact C-N 3.26Å; H239-L241 HydrophobicContact CB-CD1 3.81Å; H239-L241 HydrophobicContact CB-CG 4.04Å; H239-L241 PolarHBondContact O-N 3.01Å
242	D	98.8	Very high	98.6	Very high	101 Å²	101	48.6 Å²	48.6	54%	0.54	24%	0.24	S	C	.	.	S	Bend	trans	-105	-31.2	179.6	-67.1	-22	0	0	0	112.8	K168	K168-D242 HydrophobicContact CB-CB 4.4Å; K168-D242 WeakPolarHBondContact CD-OD2 3.48Å; K168-D242 PolarHBondContact O-N 2.89Å
243	L	98.9	Very high	98.5	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	141.7	-171.1	-177.6	65.4	0	0	0	112.4	K168 I169 F170 R261 Q262 V264 M283	K168-L243 PolarHBondContact O-N 3.08Å; I169-L243 CarbonylContact C-O 3.6Å; I169-L243 WeakPolarHBondContact CA-O 3.25Å; I169-L243 HydrophobicContact CD1-CD2 4.37Å; I169-L243 HydrophobicContact CG1-CB 4.28Å; I169-L243 HydrophobicContact CG1-CD2 4.45Å; I169-L243 HydrophobicContact CG2-CB 4.12Å; I169-L243 HydrophobicContact CG2-CD2 3.97Å; I169-L243 HydrophobicContact CG2-CG 4.11Å; F170-L243 PolarHBondContact N-O 3.23Å; L243-R261 WeakPolarHBondContact CD1-O 3.49Å; L243-Q262 WeakPolarHBondContact CA-O 3.22Å; L243-V264 HydrophobicContact CD1-CB 4.44Å; L243-V264 HydrophobicContact CD1-CG1 4.14Å; L243-V264 HydrophobicContact CD2-CG1 4.11Å; L243-V264 HydrophobicContact CG-CG1 4.38Å; L243-M283 HydrophobicContact CD2-CE 4.16Å; L243-M283 HydrophobicContact CD2-SD 4.31Å
244	I	98.9	Very high	98.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.5	159.9	-61.4	168.9	0	0	0	108.3	F170 L176 V232 F235 L236 Q262 L263 V264	F170-I244 HydrophobicContact CD1-CG2 4.45Å; F170-I244 CarbonylContact O-C 3.6Å; F170-I244 WeakPolarHBondContact O-CA 3.44Å; L176-I244 HydrophobicContact CD1-CD1 3.74Å; L176-I244 HydrophobicContact CD2-CD1 3.81Å; L176-I244 HydrophobicContact CG-CD1 3.91Å; V232-I244 HydrophobicContact CB-CD1 4.46Å; V232-I244 HydrophobicContact CG1-CD1 4.01Å; V232-I244 HydrophobicContact CG2-CD1 4.25Å; F235-I244 HydrophobicContact CD1-CD1 3.94Å; F235-I244 HydrophobicContact CD1-CG1 4.29Å; F235-I244 HydrophobicContact CE1-CD1 4.37Å; F235-I244 HydrophobicContact CE1-CG1 4.37Å; L236-I244 HydrophobicContact CD2-CG1 3.94Å; L236-I244 HydrophobicContact CG-CG1 4.46Å; I244-Q262 PolarHBondContact N-O 2.91Å; I244-L263 HydrophobicContact CB-CB 4.12Å; I244-L263 HydrophobicContact CB-CD1 4Å; I244-L263 HydrophobicContact CB-CG 3.96Å; I244-L263 HydrophobicContact CD1-CD1 4.28Å; I244-L263 HydrophobicContact CG2-CD1 3.77Å; I244-L263 HydrophobicContact CG2-CG 4Å; I244-L263 CarbonylContact O-C 3.18Å; I244-L263 VanDerWaalsContact O-CA 3.26Å; I244-L263 WeakPolarHBondContact O-CA 3.35Å; I244-V264 PolarHBondContact O-N 2.81Å
245	C	98.9	Very high	98.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.4	173.7	-175.8	0	0	0	0	109.5	I169 F170 C171 C172 V264 L266 M283	I169-C245 HydrophobicContact CG2-CB 3.84Å; F170-C245 PolarHBondContact O-N 3.02Å; C171-C245 VanDerWaalsContact CA-O 3.27Å; C171-C245 WeakPolarHBondContact CA-O 3.5Å; C172-C245 PolarHBondContact N-O 3.27Å; C245-V264 HydrophobicContact CB-CG1 4.06Å; C245-L266 VanDerWaalsContact SG-CD1 3.57Å; C245-M283 HydrophobicContact CB-CE 4.23Å
246	R	98.9	Very high	98.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.8	-172.4	72.7	75.4	52.9	146.9	23.1	115.5	C172 H173 G174 S207 D208 H248 L263 V264 T265 L266	C172-R246 VanDerWaalsContact O-CA 3.28Å; C172-R246 WeakPolarHBondContact O-CA 3.48Å; H173-R246 PolarHBondContact O-NE 2.89Å; G174-R246 VanDerWaalsContact C-NH2 3.34Å; G174-R246 WeakPolarHBondContact O-CB 3.41Å; G174-R246 PolarHBondContact O-NE 3.39Å; G174-R246 PolarHBondContact O-NH2 2.77Å; S207-R246 PolarHBondContact O-NH2 3.42Å; D208-R246 IonicContact OD1-CZ 2.74Å; D208-R246 IonicContact OD1-NH1 3.92Å; D208-R246 PolarHBondContact OD1-NH1 2.97Å; D208-R246 VanDerWaalsContact OD1-NH1 3.15Å; D208-R246 IonicContact OD1-NH2 3.94Å; D208-R246 PolarHBondContact OD1-NH2 3.03Å; R246-H248 VanDerWaalsContact NH2-CB 3.33Å; R246-H248 PolarHBondContact NH2-CD2 3.35Å; R246-L263 HydrophobicContact CG-CD1 4.37Å; R246-L263 HydrophobicContact CG-CD2 4.03Å; R246-L263 HydrophobicContact CG-CG 4.34Å; R246-V264 PolarHBondContact N-O 3.23Å; R246-T265 WeakPolarHBondContact CD-OG1 3.44Å; R246-T265 CarbonylContact O-C 3.44Å; R246-T265 WeakPolarHBondContact O-CA 3.47Å; R246-L266 PolarHBondContact O-N 3.39Å
247	A	98.9	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.			trans	-84.9	-149.3	-177.3	0	0	0	0	0	120.8	G63 D64 L90 H173 Q249 T265 L266	G63-A247 VanDerWaalsContact CA-CB 3.47Å; D64-A247 WeakPolarHBondContact OD1-CB 3.1Å; L90-A247 HydrophobicContact CB-CB 3.86Å; L90-A247 HydrophobicContact CD1-CB 3.79Å; L90-A247 HydrophobicContact CG-CB 4.48Å; H173-A247 WeakPolarHBondContact O-CA 3.25Å; H173-A247 PolarHBondContact O-N 3.12Å; A247-Q249 VanDerWaalsContact C-N 3.28Å; A247-Q249 PolarHBondContact O-N 3.34Å; A247-T265 WeakPolarHBondContact O-CG2 3.03Å; A247-L266 WeakPolarHBondContact CB-O 3.28Å
248	H	98.6	Very high	98.4	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.046	24%	0.24	C	C	.	.	S	Bend	trans	72.1	-20.7	138.1	-167.3	64.3	0	0	0	119.1	D64 N124 H173 W206 D208 R221 R246	D64-H248 PolarHBondContact OD1-N 3.11Å; D64-H248 WeakPolarHBondContact OD2-CA 3.4Å; D64-H248 PolarHBondContact OD2-N 3.47Å; N124-H248 PolarHBondContact OD1-CE1 3.41Å; N124-H248 PolarHBondContact OD1-ND1 2.87Å; H173-H248 AromaticContact CD2-CG 3.97Å; H173-H248 AromaticContact CD2-ND1 3.66Å; H173-H248 WeakPolarHBondContact NE2-CB 3.08Å; H173-H248 AromaticContact NE2-CG 3.55Å; H173-H248 AromaticContact NE2-ND1 3.07Å; H173-H248 PolarHBondContact NE2-ND1 3.36Å; W206-H248 AromaticContact CE3-CE1 3.86Å; W206-H248 AromaticContact CE3-NE2 3.98Å; D208-H248 IonicContact OD1-CD2 3.44Å; D208-H248 PolarHBondContact OD1-CD2 3.4Å; D208-H248 VanDerWaalsContact OD1-CD2 3.3Å; D208-H248 IonicContact OD2-CD2 3.56Å; R221-H248 PolarHBondContact NE-NE2 2.77Å; R221-H248 PolarHBondContact NH2-CD2 3.1Å; R221-H248 VanDerWaalsContact NH2-CD2 3.34Å; R221-H248 PolarHBondContact NH2-NE2 3.29Å; R221-H248 PolarHBondContact NH2-O 3.44Å; R246-H248 VanDerWaalsContact NH2-CB 3.33Å; R246-H248 PolarHBondContact NH2-CD2 3.35Å
249	Q	98.5	Very high	98.4	Very high	58 Å²	58	45 Å²	45	27%	0.271	22%	0.223	S	C	.	.	S	Bend	trans	-118.4	128.9	175.1	-78.3	175	-52.5	0	0	110.5	D208 A247 V251 T265 F267	D208-Q249 VanDerWaalsContact OD1-CG 3.26Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.23Å; D208-Q249 PolarHBondContact OD1-OE1 2.69Å; A247-Q249 VanDerWaalsContact C-N 3.28Å; A247-Q249 PolarHBondContact O-N 3.34Å; Q249-V251 PolarHBondContact O-N 2.91Å; Q249-T265 HydrophobicContact CB-CG2 4.17Å; Q249-F267 WeakPolarHBondContact O-CD2 3.27Å
250	V	97.9	Very high	98.4	Very high	47 Å²	47	52.6 Å²	52.6	29%	0.285	26%	0.255	S	S	.	.			trans	-64.4	125.3	170.9	-175.5	0	0	0	0	108.4	F267 Y272 F276 N278	V250-F267 HydrophobicContact CG2-CD2 4.32Å; V250-F267 HydrophobicContact CG2-CE1 4.06Å; V250-F267 HydrophobicContact CG2-CE2 3.77Å; V250-F267 HydrophobicContact CG2-CZ 3.64Å; V250-Y272 HydrophobicContact CG2-CD1 3.54Å; V250-Y272 HydrophobicContact CG2-CE1 4.04Å; V250-Y272 HydrophobicContact CG2-CG 4.16Å; V250-F276 HydrophobicContact CG1-CB 4.32Å; V250-F276 HydrophobicContact CG1-CD1 3.99Å; V250-F276 HydrophobicContact CG1-CG 4.14Å; V250-N278 HydrophobicContact CG1-CB 3.79Å
251	V	97.7	Very high	98.4	Very high	10 Å²	10	56 Å²	56	6%	0.061	26%	0.259	C	S	.	.			trans	-127.2	142.8	177.9	-69.2	0	0	0	0	109.7	Q249 D253 G254 E256 T265 F267 N278	Q249-V251 PolarHBondContact O-N 2.91Å; V251-D253 PolarHBondContact O-N 3.23Å; V251-G254 VanDerWaalsContact CG2-C 3.49Å; V251-G254 PolarHBondContact O-N 3.4Å; V251-E256 HydrophobicContact CB-CB 3.9Å; V251-E256 HydrophobicContact CG1-CB 3.65Å; V251-E256 HydrophobicContact CG2-CB 4.37Å; V251-T265 HydrophobicContact CG1-CG2 3.79Å; V251-T265 HydrophobicContact CG2-CG2 4.36Å; V251-F267 HydrophobicContact CG2-CB 4.07Å; V251-N278 WeakPolarHBondContact O-CB 3.49Å
252	E	96.1	Very high	98.4	Very high	151 Å²	151	58.3 Å²	58.3	71%	0.706	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-48.4	-166.1	-174.3	175.6	-178.5	0	0	113.1	G254 N278 A279	E252-G254 VanDerWaalsContact C-N 3.3Å; E252-G254 PolarHBondContact O-N 3.49Å; E252-N278 CarbonylContact O-C 3.52Å; E252-N278 VanDerWaalsContact O-CA 3.3Å; E252-N278 WeakPolarHBondContact O-CA 3.43Å; E252-A279 PolarHBondContact O-N 3.05Å
253	D	96.8	Very high	98.4	Very high	87 Å²	87	53.5 Å²	53.5	47%	0.465	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	9	-177.8	-74.4	-42.9	0	0	0	113.5	V251 Y255	V251-D253 PolarHBondContact O-N 3.23Å; D253-Y255 HydrophobicContact CB-CD1 4.33Å; D253-Y255 HydrophobicContact CB-CE1 4.26Å; D253-Y255 PolarHBondContact O-N 2.66Å
254	G	98.2	Very high	98.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	74.2	-8	-173.1	0	0	0	0	0	114	V251 E252 F267 A279 A281	V251-G254 VanDerWaalsContact CG2-C 3.49Å; V251-G254 PolarHBondContact O-N 3.4Å; E252-G254 VanDerWaalsContact C-N 3.3Å; E252-G254 PolarHBondContact O-N 3.49Å; G254-F267 WeakPolarHBondContact CA-O 3.42Å; G254-F267 PolarHBondContact O-N 2.8Å; G254-F267 VanDerWaalsContact O-O 3.14Å; G254-A279 VanDerWaalsContact CA-O 3.23Å; G254-A279 WeakPolarHBondContact CA-O 3.38Å; G254-A279 PolarHBondContact N-O 3.04Å; G254-A281 VanDerWaalsContact C-CB 3.43Å; G254-A281 WeakPolarHBondContact O-CB 3.31Å
255	Y	98.8	Very high	98.4	Very high	66 Å²	66	53 Å²	53	26%	0.259	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.1	165.2	77.7	-74.6	0	0	0	110.8	D253 F257 V264 T265 A281 F293 I295	D253-Y255 HydrophobicContact CB-CD1 4.33Å; D253-Y255 HydrophobicContact CB-CE1 4.26Å; D253-Y255 PolarHBondContact O-N 2.66Å; Y255-F257 HydrophobicContact CD2-CD2 4.42Å; Y255-F257 HydrophobicContact CD2-CE2 4.31Å; Y255-F257 HydrophobicContact CE2-CD2 4.13Å; Y255-F257 AromaticContact CE2-CE2 3.95Å; Y255-F257 HydrophobicContact CE2-CE2 3.95Å; Y255-V264 HydrophobicContact CD2-CG2 4.42Å; Y255-T265 CarbonylContact C-O 3.52Å; Y255-T265 WeakPolarHBondContact CA-O 3.39Å; Y255-A281 HydrophobicContact CD1-CB 4.31Å; Y255-F293 HydrophobicContact CD1-CB 4.09Å; Y255-F293 HydrophobicContact CD1-CD1 4.05Å; Y255-F293 HydrophobicContact CD1-CG 4.01Å; Y255-F293 AromaticContact CD2-CD1 3.72Å; Y255-F293 HydrophobicContact CD2-CD1 3.72Å; Y255-F293 AromaticContact CD2-CD2 3.96Å; Y255-F293 HydrophobicContact CD2-CD2 3.96Å; Y255-F293 AromaticContact CD2-CE1 3.66Å; Y255-F293 HydrophobicContact CD2-CE1 3.66Å; Y255-F293 AromaticContact CD2-CE2 3.92Å; Y255-F293 HydrophobicContact CD2-CE2 3.92Å; Y255-F293 AromaticContact CD2-CG 3.87Å; Y255-F293 HydrophobicContact CD2-CG 3.87Å; Y255-F293 AromaticContact CD2-CZ 3.77Å; Y255-F293 HydrophobicContact CD2-CZ 3.77Å; Y255-F293 HydrophobicContact CE1-CB 4.09Å; Y255-F293 HydrophobicContact CE1-CG 4.16Å; Y255-F293 HydrophobicContact CE2-CD1 4.34Å; Y255-F293 AromaticContact CE2-CD2 3.77Å; Y255-F293 HydrophobicContact CE2-CD2 3.77Å; Y255-F293 HydrophobicContact CE2-CE1 4.41Å; Y255-F293 AromaticContact CE2-CE2 3.87Å; Y255-F293 HydrophobicContact CE2-CE2 3.87Å; Y255-F293 HydrophobicContact CE2-CG 4.02Å; Y255-F293 HydrophobicContact CE2-CZ 4.19Å; Y255-F293 HydrophobicContact CG-CB 4.43Å; Y255-F293 AromaticContact CG-CD1 3.55Å; Y255-F293 HydrophobicContact CG-CD1 3.55Å; Y255-F293 HydrophobicContact CG-CD2 4.42Å; Y255-F293 AromaticContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CE1 3.86Å; Y255-F293 AromaticContact CG-CG 3.87Å; Y255-F293 HydrophobicContact CG-CG 3.87Å; Y255-F293 HydrophobicContact CG-CZ 4.43Å; Y255-I295 HydrophobicContact CD1-CD1 4.39Å; Y255-I295 HydrophobicContact CD1-CG1 4.42Å; Y255-I295 HydrophobicContact CE1-CD1 3.83Å; Y255-I295 HydrophobicContact CE1-CG1 4.28Å
256	E	98.8	Very high	98.4	Very high	112 Å²	112	53 Å²	53	52%	0.523	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.2	174.2	-170.8	171	100.9	0	0	110.8	V251 V264 T265	V251-E256 HydrophobicContact CB-CB 3.9Å; V251-E256 HydrophobicContact CG1-CB 3.65Å; V251-E256 HydrophobicContact CG2-CB 4.37Å; E256-V264 CarbonylContact O-C 3.46Å; E256-V264 WeakPolarHBondContact O-CA 3.3Å; E256-T265 PolarHBondContact N-O 3.02Å; E256-T265 PolarHBondContact O-N 3.24Å
257	F	98.8	Very high	98.3	Very high	71 Å²	71	53.1 Å²	53.1	31%	0.311	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	142.9	175.6	-79.1	-68.8	0	0	0	111.8	Y255 R261 L263 V264 F293	Y255-F257 HydrophobicContact CD2-CD2 4.42Å; Y255-F257 HydrophobicContact CD2-CE2 4.31Å; Y255-F257 HydrophobicContact CE2-CD2 4.13Å; Y255-F257 AromaticContact CE2-CE2 3.95Å; Y255-F257 HydrophobicContact CE2-CE2 3.95Å; F257-R261 HydrophobicContact CB-CB 4.47Å; F257-R261 HydrophobicContact CB-CG 4.05Å; F257-R261 HydrophobicContact CD1-CB 3.63Å; F257-R261 HydrophobicContact CD1-CG 3.88Å; F257-R261 HydrophobicContact CD2-CG 4.09Å; F257-R261 HydrophobicContact CE1-CB 3.91Å; F257-R261 HydrophobicContact CE1-CG 4.29Å; F257-R261 HydrophobicContact CE2-CG 4.49Å; F257-R261 HydrophobicContact CG-CB 4.05Å; F257-R261 HydrophobicContact CG-CG 3.76Å; F257-L263 WeakPolarHBondContact CA-O 3.48Å; F257-V264 HydrophobicContact CD1-CB 3.87Å; F257-V264 HydrophobicContact CD1-CG2 4.14Å; F257-V264 HydrophobicContact CE1-CB 3.87Å; F257-V264 HydrophobicContact CE1-CG2 4.11Å; F257-F293 HydrophobicContact CE1-CZ 4.27Å; F257-F293 AromaticContact CE2-CE2 3.75Å; F257-F293 HydrophobicContact CE2-CE2 3.75Å; F257-F293 AromaticContact CE2-CZ 3.96Å; F257-F293 HydrophobicContact CE2-CZ 3.96Å; F257-F293 AromaticContact CZ-CE2 3.6Å; F257-F293 HydrophobicContact CZ-CE2 3.6Å; F257-F293 AromaticContact CZ-CZ 3.54Å; F257-F293 HydrophobicContact CZ-CZ 3.54Å
258	F	98.8	Very high	98.3	Very high	32 Å²	32	53.2 Å²	53.2	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	163.1	173.7	179.7	-105	0	0	0	110.8	P209 K211 A229 V232 K260 R261 Q262 L263	P209-F258 HydrophobicContact CB-CD1 3.72Å; P209-F258 HydrophobicContact CB-CD2 4.24Å; P209-F258 HydrophobicContact CB-CE1 3.76Å; P209-F258 HydrophobicContact CB-CE2 4.29Å; P209-F258 HydrophobicContact CB-CG 3.95Å; P209-F258 HydrophobicContact CB-CZ 4.05Å; K211-F258 HydrophobicContact CB-CE2 4.06Å; A229-F258 HydrophobicContact CB-CE1 4.06Å; A229-F258 HydrophobicContact CB-CZ 3.96Å; V232-F258 HydrophobicContact CG2-CD1 4.13Å; V232-F258 HydrophobicContact CG2-CE1 3.92Å; F258-K260 PolarHBondContact O-N 3.01Å; F258-R261 WeakPolarHBondContact O-CA 3.43Å; F258-R261 PolarHBondContact O-N 3.39Å; F258-Q262 PolarHBondContact O-N 3.14Å; F258-L263 HydrophobicContact CB-CB 4.17Å; F258-L263 HydrophobicContact CB-CD2 3.82Å; F258-L263 HydrophobicContact CD1-CB 4.19Å; F258-L263 HydrophobicContact CD1-CD2 4.49Å; F258-L263 PolarHBondContact N-O 3.14Å; F258-L263 PolarHBondContact O-N 3.36Å
259	A	98.3	Very high	98.3	Very high	13 Å²	13	52.8 Å²	52.8	11%	0.107	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	47.6	54.8	174.2	0	0	0	0	0	114.2	A229 V232 R261 Q262	A229-A259 HydrophobicContact CB-CB 3.68Å; V232-A259 HydrophobicContact CB-CB 4.13Å; V232-A259 HydrophobicContact CG1-CB 3.97Å; A259-R261 VanDerWaalsContact C-N 3.28Å; A259-R261 PolarHBondContact O-N 3.42Å; A259-Q262 HydrophobicContact CB-CB 4.19Å; A259-Q262 WeakPolarHBondContact O-CB 3.39Å; A259-Q262 VanDerWaalsContact O-CG 3.24Å; A259-Q262 WeakPolarHBondContact O-CG 3.45Å; A259-Q262 PolarHBondContact O-N 3.5Å; A259-Q262 VanDerWaalsContact O-N 3.11Å; A259-Q262 PolarHBondContact O-OE1 3.19Å
260	K	98.1	Very high	98.2	Very high	206 Å²	206	50.2 Å²	50.2	90%	0.896	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	55	40.1	-177.8	-55.7	179	-178.8	175.6	0	113.6	F258 Q262	F258-K260 PolarHBondContact O-N 3.01Å; K260-Q262 VanDerWaalsContact C-N 3.29Å; K260-Q262 PolarHBondContact O-N 3.15Å
261	R	98.3	Very high	98.1	Very high	183 Å²	183	50 Å²	50	69%	0.691	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	70.6	16	-178.6	-50.5	-178.1	171.8	177.8	-4.4	115.3	L243 F257 F258 A259 L263	L243-R261 WeakPolarHBondContact CD1-O 3.49Å; F257-R261 HydrophobicContact CB-CB 4.47Å; F257-R261 HydrophobicContact CB-CG 4.05Å; F257-R261 HydrophobicContact CD1-CB 3.63Å; F257-R261 HydrophobicContact CD1-CG 3.88Å; F257-R261 HydrophobicContact CD2-CG 4.09Å; F257-R261 HydrophobicContact CE1-CB 3.91Å; F257-R261 HydrophobicContact CE1-CG 4.29Å; F257-R261 HydrophobicContact CE2-CG 4.49Å; F257-R261 HydrophobicContact CG-CB 4.05Å; F257-R261 HydrophobicContact CG-CG 3.76Å; F258-R261 WeakPolarHBondContact O-CA 3.43Å; F258-R261 PolarHBondContact O-N 3.39Å; A259-R261 VanDerWaalsContact C-N 3.28Å; A259-R261 PolarHBondContact O-N 3.42Å; R261-L263 VanDerWaalsContact C-N 3.3Å
262	Q	98.8	Very high	97.9	Very high	63 Å²	63	50.6 Å²	50.6	29%	0.294	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.3	173.2	-70	-171.7	-70.3	0	0	113	V232 L236 L243 I244 F258 A259 K260	V232-Q262 HydrophobicContact CG1-CB 3.72Å; L236-Q262 HydrophobicContact CD1-CB 3.53Å; L236-Q262 HydrophobicContact CD1-CG 4Å; L243-Q262 WeakPolarHBondContact CA-O 3.22Å; I244-Q262 PolarHBondContact N-O 2.91Å; F258-Q262 PolarHBondContact O-N 3.14Å; A259-Q262 HydrophobicContact CB-CB 4.19Å; A259-Q262 WeakPolarHBondContact O-CB 3.39Å; A259-Q262 VanDerWaalsContact O-CG 3.24Å; A259-Q262 WeakPolarHBondContact O-CG 3.45Å; A259-Q262 PolarHBondContact O-N 3.5Å; A259-Q262 VanDerWaalsContact O-N 3.11Å; A259-Q262 PolarHBondContact O-OE1 3.19Å; K260-Q262 VanDerWaalsContact C-N 3.29Å; K260-Q262 PolarHBondContact O-N 3.15Å
263	L	98.9	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.4	169.9	179.8	154.2	0	0	0	109.3	P209 F227 V232 I244 R246 F257 F258 R261	P209-L263 HydrophobicContact CB-CD1 4.37Å; P209-L263 HydrophobicContact CB-CD2 4.48Å; P209-L263 HydrophobicContact CG-CD2 4.08Å; F227-L263 HydrophobicContact CE2-CD1 3.78Å; F227-L263 HydrophobicContact CZ-CD1 3.98Å; V232-L263 HydrophobicContact CG1-CB 4.27Å; V232-L263 HydrophobicContact CG2-CD1 4.11Å; I244-L263 HydrophobicContact CB-CB 4.12Å; I244-L263 HydrophobicContact CB-CD1 4Å; I244-L263 HydrophobicContact CB-CG 3.96Å; I244-L263 HydrophobicContact CD1-CD1 4.28Å; I244-L263 HydrophobicContact CG2-CD1 3.77Å; I244-L263 HydrophobicContact CG2-CG 4Å; I244-L263 CarbonylContact O-C 3.18Å; I244-L263 VanDerWaalsContact O-CA 3.26Å; I244-L263 WeakPolarHBondContact O-CA 3.35Å; R246-L263 HydrophobicContact CG-CD1 4.37Å; R246-L263 HydrophobicContact CG-CD2 4.03Å; R246-L263 HydrophobicContact CG-CG 4.34Å; F257-L263 WeakPolarHBondContact CA-O 3.48Å; F258-L263 HydrophobicContact CB-CB 4.17Å; F258-L263 HydrophobicContact CB-CD2 3.82Å; F258-L263 HydrophobicContact CD1-CB 4.19Å; F258-L263 HydrophobicContact CD1-CD2 4.49Å; F258-L263 PolarHBondContact N-O 3.14Å; F258-L263 PolarHBondContact O-N 3.36Å; R261-L263 VanDerWaalsContact C-N 3.3Å
264	V	98.9	Very high	96.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.8	169.6	65.6	0	0	0	0	110.4	L243 I244 C245 R246 Y255 E256 F257 L266 M283 F293	L243-V264 HydrophobicContact CD1-CB 4.44Å; L243-V264 HydrophobicContact CD1-CG1 4.14Å; L243-V264 HydrophobicContact CD2-CG1 4.11Å; L243-V264 HydrophobicContact CG-CG1 4.38Å; I244-V264 PolarHBondContact O-N 2.81Å; C245-V264 HydrophobicContact CB-CG1 4.06Å; R246-V264 PolarHBondContact N-O 3.23Å; Y255-V264 HydrophobicContact CD2-CG2 4.42Å; E256-V264 CarbonylContact O-C 3.46Å; E256-V264 WeakPolarHBondContact O-CA 3.3Å; F257-V264 HydrophobicContact CD1-CB 3.87Å; F257-V264 HydrophobicContact CD1-CG2 4.14Å; F257-V264 HydrophobicContact CE1-CB 3.87Å; F257-V264 HydrophobicContact CE1-CG2 4.11Å; V264-L266 HydrophobicContact CG2-CD2 4.24Å; V264-M283 HydrophobicContact CG1-CE 4.45Å; V264-M283 HydrophobicContact CG1-SD 4.06Å; V264-F293 HydrophobicContact CG2-CE1 3.86Å; V264-F293 HydrophobicContact CG2-CZ 3.96Å
265	T	98.9	Very high	96	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.9	167.9	-62.9	0	0	0	0	108.2	R246 A247 Q249 V251 Y255 E256	R246-T265 WeakPolarHBondContact CD-OG1 3.44Å; R246-T265 CarbonylContact O-C 3.44Å; R246-T265 WeakPolarHBondContact O-CA 3.47Å; A247-T265 WeakPolarHBondContact O-CG2 3.03Å; Q249-T265 HydrophobicContact CB-CG2 4.17Å; V251-T265 HydrophobicContact CG1-CG2 3.79Å; V251-T265 HydrophobicContact CG2-CG2 4.36Å; Y255-T265 CarbonylContact C-O 3.52Å; Y255-T265 WeakPolarHBondContact CA-O 3.39Å; E256-T265 PolarHBondContact N-O 3.02Å; E256-T265 PolarHBondContact O-N 3.24Å
266	L	98.9	Very high	95.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141	172.9	-64.3	-178.4	0	0	0	109.8	I61 L90 C245 R246 A247 V264 M283 F293	I61-L266 HydrophobicContact CB-CD1 4.1Å; I61-L266 HydrophobicContact CG2-CD1 3.97Å; I61-L266 WeakPolarHBondContact O-CD1 3.37Å; L90-L266 HydrophobicContact CD1-CB 4.47Å; L90-L266 HydrophobicContact CD1-CD1 4.31Å; C245-L266 VanDerWaalsContact SG-CD1 3.57Å; R246-L266 PolarHBondContact O-N 3.39Å; A247-L266 WeakPolarHBondContact CB-O 3.28Å; V264-L266 HydrophobicContact CG2-CD2 4.24Å; L266-M283 HydrophobicContact CD1-CB 3.82Å; L266-M283 HydrophobicContact CD2-CB 4.16Å; L266-F293 HydrophobicContact CD2-CD1 4.13Å; L266-F293 HydrophobicContact CD2-CE1 3.89Å
267	F	98.8	Very high	95.3	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-140.3	122.9	172.1	-162.2	-90.5	0	0	0	108.3	D64 Q249 V250 V251 G254 A269 Y272 G280 A281	D64-F267 HydrophobicContact CB-CD2 3.87Å; D64-F267 HydrophobicContact CB-CE2 3.55Å; D64-F267 HydrophobicContact CB-CZ 4.01Å; D64-F267 WeakPolarHBondContact OD2-CE2 3.39Å; Q249-F267 WeakPolarHBondContact O-CD2 3.27Å; V250-F267 HydrophobicContact CG2-CD2 4.32Å; V250-F267 HydrophobicContact CG2-CE1 4.06Å; V250-F267 HydrophobicContact CG2-CE2 3.77Å; V250-F267 HydrophobicContact CG2-CZ 3.64Å; V251-F267 HydrophobicContact CG2-CB 4.07Å; G254-F267 WeakPolarHBondContact CA-O 3.42Å; G254-F267 PolarHBondContact O-N 2.8Å; G254-F267 VanDerWaalsContact O-O 3.14Å; F267-A269 HydrophobicContact CD1-CB 4.33Å; F267-A269 HydrophobicContact CE1-CB 3.66Å; F267-A269 VanDerWaalsContact CE1-O 3.26Å; F267-A269 WeakPolarHBondContact CE1-O 3.38Å; F267-A269 HydrophobicContact CZ-CB 4.28Å; F267-Y272 AromaticContact CE1-CD2 3.89Å; F267-Y272 HydrophobicContact CE1-CD2 3.89Å; F267-Y272 AromaticContact CE1-CG 3.84Å; F267-Y272 HydrophobicContact CE1-CG 3.84Å; F267-Y272 HydrophobicContact CZ-CD1 4.11Å; F267-Y272 AromaticContact CZ-CD2 3.63Å; F267-Y272 HydrophobicContact CZ-CD2 3.63Å; F267-Y272 HydrophobicContact CZ-CE1 4.36Å; F267-Y272 AromaticContact CZ-CE2 3.93Å; F267-Y272 HydrophobicContact CZ-CE2 3.93Å; F267-Y272 AromaticContact CZ-CG 3.71Å; F267-Y272 HydrophobicContact CZ-CG 3.71Å; F267-G280 CarbonylContact O-C 3.59Å; F267-G280 VanDerWaalsContact O-CA 3.23Å; F267-G280 WeakPolarHBondContact O-CA 3.44Å; F267-A281 PolarHBondContact O-N 3.2Å
268	S	98.7	Very high	95.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	25%	0.251	C	S	.	.			trans	-107.4	-1.7	-167.8	-62.3	0	0	0	0	114.1	G63 D64 P270 A281	G63-S268 PolarHBondContact N-OG 3.19Å; D64-S268 CarbonylContact O-C 3.49Å; D64-S268 VanDerWaalsContact O-C 3.29Å; D64-S268 WeakPolarHBondContact O-CA 3.34Å; D64-S268 WeakPolarHBondContact O-CB 3.37Å; D64-S268 PolarHBondContact O-N 3.04Å; S268-P270 WeakPolarHBondContact O-CD 3.22Å; S268-A281 PolarHBondContact OG-O 2.95Å
269	A	97.8	Very high	95.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	25%	0.247	C	C	.	.			trans	-96.1	98.9	176.2	0	0	0	0	0	111.4	D64 Q68 F267 Y272 N278	D64-A269 PolarHBondContact O-N 3.31Å; Q68-A269 HydrophobicContact CG-CB 4.5Å; F267-A269 HydrophobicContact CD1-CB 4.33Å; F267-A269 HydrophobicContact CE1-CB 3.66Å; F267-A269 VanDerWaalsContact CE1-O 3.26Å; F267-A269 WeakPolarHBondContact CE1-O 3.38Å; F267-A269 HydrophobicContact CZ-CB 4.28Å; A269-Y272 HydrophobicContact CB-CD2 4.17Å; A269-N278 PolarHBondContact O-ND2 3.4Å
270	P	96.7	Very high	95.1	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.026	24%	0.242	C	C	.	.	S	Bend	trans	-68.7	148.1	178.8	29.2	-35.9	0	0	0	111.9	Q68 D71 S268 Y272 N278 L296 P298	Q68-P270 PolarHBondContact NE2-O 3.37Å; D71-P270 HydrophobicContact CB-CG 4Å; S268-P270 WeakPolarHBondContact O-CD 3.22Å; P270-Y272 VanDerWaalsContact C-N 3.28Å; P270-Y272 PolarHBondContact O-N 2.77Å; P270-N278 WeakPolarHBondContact CA-O 3.36Å; P270-L296 HydrophobicContact CG-CD2 4.1Å; P270-L296 HydrophobicContact CG-CG 4.49Å; P270-P298 HydrophobicContact CB-CG 4.44Å
271	N	94.9	Very high	95.1	Very high	43 Å²	43	39.7 Å²	39.7	23%	0.23	20%	0.201	C	C	.	.	S	Bend	trans	46.7	55.6	-177.7	163.8	85.9	0	0	0	110.4	C273 G274 F276 N278 P298	N271-C273 PolarHBondContact O-N 3.46Å; N271-G274 PolarHBondContact O-N 2.99Å; N271-F276 CarbonylContact C-O 3.58Å; N271-F276 WeakPolarHBondContact CA-O 3.41Å; N271-F276 PolarHBondContact OD1-O 3Å; N271-N278 PolarHBondContact N-O 3.39Å; N271-N278 PolarHBondContact N-OD1 3.49Å; N271-P298 HydrophobicContact CB-CB 3.86Å; N271-P298 HydrophobicContact CB-CG 3.92Å
272	Y	93.3	Very high	95.2	Very high	23 Å²	23	31.2 Å²	31.2	9%	0.09	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-53.5	131.3	-169.8	-179.8	-122.9	0	0	0	111.5	H66 R96 V250 F267 A269 P270 G274 E275 F276 N278	H66-Y272 HydrophobicContact CB-CE2 3.75Å; H66-Y272 AromaticContact CD2-CE2 3.22Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.17Å; H66-Y272 AromaticContact CD2-CZ 3.56Å; H66-Y272 PolarHBondContact CD2-OH 3.13Å; H66-Y272 VanDerWaalsContact CD2-OH 3.26Å; H66-Y272 AromaticContact CG-CE2 3.69Å; H66-Y272 AromaticContact NE2-CE2 3.99Å; H66-Y272 AromaticContact NE2-CZ 3.83Å; H66-Y272 PolarHBondContact NE2-OH 2.92Å; H66-Y272 VanDerWaalsContact NE2-OH 3.12Å; R96-Y272 HydrophobicContact CB-CE2 4.37Å; R96-Y272 WeakPolarHBondContact CG-OH 3.48Å; V250-Y272 HydrophobicContact CG2-CD1 3.54Å; V250-Y272 HydrophobicContact CG2-CE1 4.04Å; V250-Y272 HydrophobicContact CG2-CG 4.16Å; F267-Y272 AromaticContact CE1-CD2 3.89Å; F267-Y272 HydrophobicContact CE1-CD2 3.89Å; F267-Y272 AromaticContact CE1-CG 3.84Å; F267-Y272 HydrophobicContact CE1-CG 3.84Å; F267-Y272 HydrophobicContact CZ-CD1 4.11Å; F267-Y272 AromaticContact CZ-CD2 3.63Å; F267-Y272 HydrophobicContact CZ-CD2 3.63Å; F267-Y272 HydrophobicContact CZ-CE1 4.36Å; F267-Y272 AromaticContact CZ-CE2 3.93Å; F267-Y272 HydrophobicContact CZ-CE2 3.93Å; F267-Y272 AromaticContact CZ-CG 3.71Å; F267-Y272 HydrophobicContact CZ-CG 3.71Å; A269-Y272 HydrophobicContact CB-CD2 4.17Å; P270-Y272 VanDerWaalsContact C-N 3.28Å; P270-Y272 PolarHBondContact O-N 2.77Å; Y272-G274 PolarHBondContact O-N 3.28Å; Y272-E275 PolarHBondContact O-N 3.37Å; Y272-F276 AromaticContact CD1-CD2 3.79Å; Y272-F276 HydrophobicContact CD1-CD2 3.79Å; Y272-F276 AromaticContact CD1-CE2 3.9Å; Y272-F276 HydrophobicContact CD1-CE2 3.9Å; Y272-F276 HydrophobicContact CG-CD2 4.43Å; Y272-F276 WeakPolarHBondContact O-CD2 3.5Å; Y272-F276 PolarHBondContact O-N 2.95Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.47Å; Y272-N278 PolarHBondContact N-OD1 3.47Å
273	C	85.1	Confident	95.2	Very high	47 Å²	47	28.2 Å²	28.2	32%	0.318	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	55.3	3.2	-174.9	-62	0	0	0	0	115.7	N271 E275	N271-C273 PolarHBondContact O-N 3.46Å; C273-E275 HydrophobicContact CB-CB 4.48Å; C273-E275 HydrophobicContact CB-CG 4.25Å
274	G	83.8	Confident	95.1	Very high	43 Å²	43	29 Å²	29	44%	0.443	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	71.8	13	-167.9	0	0	0	0	0	114.8	N271 Y272	N271-G274 PolarHBondContact O-N 2.99Å; Y272-G274 PolarHBondContact O-N 3.28Å
275	E	83.3	Confident	95.1	Very high	162 Å²	162	29.1 Å²	29.1	76%	0.757	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-29.4	-176.4	-65	179.4	-177.2	0	0	112.1	Y272 C273	Y272-E275 PolarHBondContact O-N 3.37Å; C273-E275 HydrophobicContact CB-CB 4.48Å; C273-E275 HydrophobicContact CB-CG 4.25Å
276	F	89.4	Confident	95.1	Very high	97 Å²	97	31.3 Å²	31.3	43%	0.425	17%	0.173	S	C	.	.			trans	-100.1	154.9	177	-62.7	-96.7	0	0	0	110.6	V250 N271 Y272 N278	V250-F276 HydrophobicContact CG1-CB 4.32Å; V250-F276 HydrophobicContact CG1-CD1 3.99Å; V250-F276 HydrophobicContact CG1-CG 4.14Å; N271-F276 CarbonylContact C-O 3.58Å; N271-F276 WeakPolarHBondContact CA-O 3.41Å; N271-F276 PolarHBondContact OD1-O 3Å; Y272-F276 AromaticContact CD1-CD2 3.79Å; Y272-F276 HydrophobicContact CD1-CD2 3.79Å; Y272-F276 AromaticContact CD1-CE2 3.9Å; Y272-F276 HydrophobicContact CD1-CE2 3.9Å; Y272-F276 HydrophobicContact CG-CD2 4.43Å; Y272-F276 WeakPolarHBondContact O-CD2 3.5Å; Y272-F276 PolarHBondContact O-N 2.95Å; F276-N278 VanDerWaalsContact CB-OD1 3.3Å; F276-N278 WeakPolarHBondContact CB-OD1 3.42Å
277	D	92.8	Very high	95	Very high	144 Å²	144	38.9 Å²	38.9	77%	0.77	21%	0.208	S	C	*	.			trans	-104.1	25.4	174.2	-156.7	16.8	0	0	0	111.9
278	N	96.9	Very high	94.8	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.027	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-72.5	150.7	-178	71	-70.7	0	0	0	112.1	V250 V251 E252 A269 P270 N271 Y272 F276 P298	V250-N278 HydrophobicContact CG1-CB 3.79Å; V251-N278 WeakPolarHBondContact O-CB 3.49Å; E252-N278 CarbonylContact O-C 3.52Å; E252-N278 VanDerWaalsContact O-CA 3.3Å; E252-N278 WeakPolarHBondContact O-CA 3.43Å; A269-N278 PolarHBondContact O-ND2 3.4Å; P270-N278 WeakPolarHBondContact CA-O 3.36Å; N271-N278 PolarHBondContact N-O 3.39Å; N271-N278 PolarHBondContact N-OD1 3.49Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.47Å; Y272-N278 PolarHBondContact N-OD1 3.47Å; F276-N278 VanDerWaalsContact CB-OD1 3.3Å; F276-N278 WeakPolarHBondContact CB-OD1 3.42Å; N278-P298 WeakPolarHBondContact O-CG 3.25Å
279	A	97.3	Very high	94.7	Very high	6 Å²	6	46.5 Å²	46.5	5%	0.05	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-79.2	165.3	161.3	0	0	0	0	0	111.2	E252 G254 I295	E252-A279 PolarHBondContact O-N 3.05Å; G254-A279 VanDerWaalsContact CA-O 3.23Å; G254-A279 WeakPolarHBondContact CA-O 3.38Å; G254-A279 PolarHBondContact N-O 3.04Å; A279-I295 HydrophobicContact CB-CG2 3.5Å; A279-I295 VanDerWaalsContact CB-CG2 3.5Å
280	G	98.2	Very high	94.7	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.8	162.2	0	0	0	0	0	109.6	F267 I295 L296	F267-G280 CarbonylContact O-C 3.59Å; F267-G280 VanDerWaalsContact O-CA 3.23Å; F267-G280 WeakPolarHBondContact O-CA 3.44Å; G280-I295 CarbonylContact O-C 3.56Å; G280-I295 WeakPolarHBondContact O-CA 3.27Å; G280-L296 PolarHBondContact N-O 3.33Å; G280-L296 PolarHBondContact O-N 3.09Å
281	A	98.6	Very high	94.7	Very high	3 Å²	3	53.9 Å²	53.9	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	160.5	170.6	0	0	0	0	0	112.5	G254 Y255 F267 S268 Q294 I295	G254-A281 VanDerWaalsContact C-CB 3.43Å; G254-A281 WeakPolarHBondContact O-CB 3.31Å; Y255-A281 HydrophobicContact CD1-CB 4.31Å; F267-A281 PolarHBondContact O-N 3.2Å; S268-A281 PolarHBondContact OG-O 2.95Å; A281-Q294 WeakPolarHBondContact CA-O 3.38Å; A281-I295 HydrophobicContact CB-CG1 4.46Å
282	M	98.5	Very high	94.9	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.025	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.1	161.4	63.7	173.2	71.1	0	0	109.1	K60 I61 L75 F293 Q294	K60-M282 HydrophobicContact CB-SD 4.44Å; K60-M282 HydrophobicContact CD-SD 3.94Å; K60-M282 HydrophobicContact CG-SD 4.46Å; I61-M282 CarbonylContact O-C 3.49Å; I61-M282 WeakPolarHBondContact O-CA 3.06Å; L75-M282 HydrophobicContact CB-CE 4.27Å; L75-M282 HydrophobicContact CD1-CE 4.27Å; L75-M282 HydrophobicContact CD2-CE 3.22Å; L75-M282 HydrophobicContact CG-CE 3.27Å; L75-M282 VanDerWaalsContact O-CE 3.29Å; L75-M282 WeakPolarHBondContact O-CE 3.48Å; M282-F293 WeakPolarHBondContact O-CA 3.46Å; M282-Q294 HydrophobicContact CG-CB 3.68Å; M282-Q294 HydrophobicContact CG-CG 4.43Å; M282-Q294 PolarHBondContact N-O 3.17Å; M282-Q294 PolarHBondContact O-N 2.88Å; M282-Q294 HydrophobicContact SD-CB 4.22Å; M282-Q294 PolarHBondContact SD-OE1 2.99Å
283	M	98.8	Very high	95.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.9	172.8	-170.8	173.7	69.5	0	0	109.3	K60 I61 L243 C245 V264 L266 V285 C291 S292 F293	K60-M283 CarbonylContact C-O 3.49Å; K60-M283 WeakPolarHBondContact CA-O 3.25Å; I61-M283 HydrophobicContact CD1-CE 3.78Å; I61-M283 HydrophobicContact CG1-CE 4.48Å; I61-M283 PolarHBondContact N-O 3.16Å; I61-M283 PolarHBondContact O-N 2.75Å; L243-M283 HydrophobicContact CD2-CE 4.16Å; L243-M283 HydrophobicContact CD2-SD 4.31Å; C245-M283 HydrophobicContact CB-CE 4.23Å; V264-M283 HydrophobicContact CG1-CE 4.45Å; V264-M283 HydrophobicContact CG1-SD 4.06Å; L266-M283 HydrophobicContact CD1-CB 3.82Å; L266-M283 HydrophobicContact CD2-CB 4.16Å; M283-V285 HydrophobicContact CE-CG2 3.83Å; M283-V285 HydrophobicContact CG-CG2 4.44Å; M283-C291 HydrophobicContact CG-CB 4.1Å; M283-C291 HydrophobicContact SD-CB 3.81Å; M283-S292 CarbonylContact C-O 3.51Å; M283-S292 WeakPolarHBondContact CA-O 3.27Å; M283-F293 HydrophobicContact CB-CD1 4.07Å; M283-F293 HydrophobicContact CB-CE1 3.89Å; M283-F293 HydrophobicContact CG-CD1 4.16Å; M283-F293 HydrophobicContact CG-CE1 3.71Å; M283-F293 HydrophobicContact CG-CZ 4.13Å; M283-F293 HydrophobicContact SD-CE1 3.8Å; M283-F293 HydrophobicContact SD-CZ 3.88Å
284	S	98.7	Very high	95.7	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.112	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.1	168.8	-62.3	0	0	0	0	109.1	K60 C291 S292 Q294	K60-S284 PolarHBondContact NZ-OG 3.42Å; S284-C291 WeakPolarHBondContact O-CA 3.49Å; S284-S292 PolarHBondContact N-O 3.47Å; S284-S292 PolarHBondContact O-N 3.41Å; S284-Q294 PolarHBondContact OG-OE1 3.13Å
285	V	98.6	Very high	96.4	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.7	173	-173.7	0	0	0	0	106.8	A57 P58 L59 I61 I169 M283 L289	A57-V285 HydrophobicContact CB-CG1 4.04Å; P58-V285 VanDerWaalsContact CA-O 3.26Å; P58-V285 WeakPolarHBondContact CA-O 3.43Å; L59-V285 HydrophobicContact CD2-CB 3.98Å; L59-V285 HydrophobicContact CD2-CG1 4.49Å; L59-V285 HydrophobicContact CD2-CG2 4.41Å; L59-V285 PolarHBondContact N-O 2.93Å; L59-V285 PolarHBondContact O-N 3.4Å; I61-V285 HydrophobicContact CD1-CG2 4.18Å; I169-V285 HydrophobicContact CD1-CG1 3.99Å; I169-V285 HydrophobicContact CD1-CG2 4.05Å; M283-V285 HydrophobicContact CE-CG2 3.83Å; M283-V285 HydrophobicContact CG-CG2 4.44Å; V285-L289 HydrophobicContact CG1-CD2 3.8Å
286	D	97.8	Very high	96.8	Very high	50 Å²	50	50 Å²	50	27%	0.267	27%	0.265	S	S	.	.			trans	-89.1	175.4	175.6	73.7	17.4	0	0	0	112.5	A57 T288 L289 M290	A57-D286 VanDerWaalsContact CB-O 3.24Å; A57-D286 WeakPolarHBondContact CB-O 3.14Å; D286-T288 PolarHBondContact O-N 3.46Å; D286-T288 WeakPolarHBondContact OD1-CA 3.33Å; D286-T288 WeakPolarHBondContact OD1-CB 3.29Å; D286-T288 PolarHBondContact OD1-N 3.07Å; D286-T288 PolarHBondContact OD1-OG1 3.3Å; D286-L289 WeakPolarHBondContact O-CA 3.3Å; D286-L289 PolarHBondContact O-N 2.83Å; D286-L289 PolarHBondContact OD1-N 3.4Å; D286-M290 PolarHBondContact N-O 2.96Å; D286-M290 WeakPolarHBondContact OD1-CB 3.36Å; D286-M290 PolarHBondContact OD1-N 3.37Å; D286-M290 WeakPolarHBondContact OD2-CB 3.46Å; D286-M290 WeakPolarHBondContact OD2-CE 3.3Å
287	E	96.3	Very high	96.9	Very high	159 Å²	159	52.5 Å²	52.5	74%	0.743	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-15.2	-179.8	-65.7	172.2	-167.2	0	0	114.2	P58	P58-E287 HydrophobicContact CG-CG 4.29Å
288	T	96.5	Very high	96.6	Very high	112 Å²	112	47.6 Å²	47.6	69%	0.687	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	9.7	176.8	69.7	0	0	0	0	112.9	D286 M290	D286-T288 PolarHBondContact O-N 3.46Å; D286-T288 WeakPolarHBondContact OD1-CA 3.33Å; D286-T288 WeakPolarHBondContact OD1-CB 3.29Å; D286-T288 PolarHBondContact OD1-N 3.07Å; D286-T288 PolarHBondContact OD1-OG1 3.3Å; T288-M290 PolarHBondContact O-N 2.86Å
289	L	94.9	Very high	95.5	Very high	53 Å²	53	49 Å²	49	28%	0.277	26%	0.264	S	S	.	.			trans	60.9	18.4	-171.3	-65.5	166.8	0	0	0	114.1	V165 D166 K168 I169 V285 D286 C291	V165-L289 HydrophobicContact CG1-CD2 4.5Å; D166-L289 HydrophobicContact CB-CD1 4.04Å; D166-L289 HydrophobicContact CB-CD2 3.73Å; D166-L289 HydrophobicContact CB-CG 4.25Å; K168-L289 HydrophobicContact CB-CD1 3.95Å; K168-L289 HydrophobicContact CG-CD1 3.91Å; I169-L289 HydrophobicContact CD1-CD2 4.15Å; V285-L289 HydrophobicContact CG1-CD2 3.8Å; D286-L289 WeakPolarHBondContact O-CA 3.3Å; D286-L289 PolarHBondContact O-N 2.83Å; D286-L289 PolarHBondContact OD1-N 3.4Å; L289-C291 PolarHBondContact O-N 3.05Å
290	M	97.5	Very high	94	Very high	114 Å²	114	53.5 Å²	53.5	56%	0.562	29%	0.288	S	S	*	.			trans	-71.3	117.6	173.1	-174	177.6	56.7	0	0	109.1	D286 T288	D286-M290 PolarHBondContact N-O 2.96Å; D286-M290 WeakPolarHBondContact OD1-CB 3.36Å; D286-M290 PolarHBondContact OD1-N 3.37Å; D286-M290 WeakPolarHBondContact OD2-CB 3.46Å; D286-M290 WeakPolarHBondContact OD2-CE 3.3Å; T288-M290 PolarHBondContact O-N 2.86Å
291	C	98.4	Very high	92.1	Very high	45 Å²	45	61.6 Å²	61.6	30%	0.304	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.5	178.5	-64	0	0	0	0	110.7	M283 S284 L289	M283-C291 HydrophobicContact CG-CB 4.1Å; M283-C291 HydrophobicContact SD-CB 3.81Å; S284-C291 WeakPolarHBondContact O-CA 3.49Å; L289-C291 PolarHBondContact O-N 3.05Å
292	S	98.3	Very high	89.6	Confident	57 Å²	57	69.3 Å²	69.3	40%	0.399	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.3	173.4	62.2	0	0	0	0	111	M283 S284	M283-S292 CarbonylContact C-O 3.51Å; M283-S292 WeakPolarHBondContact CA-O 3.27Å; S284-S292 PolarHBondContact N-O 3.47Å; S284-S292 PolarHBondContact O-N 3.41Å
293	F	98.4	Very high	87.1	Confident	49 Å²	49	76 Å²	76	22%	0.215	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	-174.6	-59.3	-85.7	0	0	0	111.2	Y255 F257 V264 L266 M282 M283	Y255-F293 HydrophobicContact CD1-CB 4.09Å; Y255-F293 HydrophobicContact CD1-CD1 4.05Å; Y255-F293 HydrophobicContact CD1-CG 4.01Å; Y255-F293 AromaticContact CD2-CD1 3.72Å; Y255-F293 HydrophobicContact CD2-CD1 3.72Å; Y255-F293 AromaticContact CD2-CD2 3.96Å; Y255-F293 HydrophobicContact CD2-CD2 3.96Å; Y255-F293 AromaticContact CD2-CE1 3.66Å; Y255-F293 HydrophobicContact CD2-CE1 3.66Å; Y255-F293 AromaticContact CD2-CE2 3.92Å; Y255-F293 HydrophobicContact CD2-CE2 3.92Å; Y255-F293 AromaticContact CD2-CG 3.87Å; Y255-F293 HydrophobicContact CD2-CG 3.87Å; Y255-F293 AromaticContact CD2-CZ 3.77Å; Y255-F293 HydrophobicContact CD2-CZ 3.77Å; Y255-F293 HydrophobicContact CE1-CB 4.09Å; Y255-F293 HydrophobicContact CE1-CG 4.16Å; Y255-F293 HydrophobicContact CE2-CD1 4.34Å; Y255-F293 AromaticContact CE2-CD2 3.77Å; Y255-F293 HydrophobicContact CE2-CD2 3.77Å; Y255-F293 HydrophobicContact CE2-CE1 4.41Å; Y255-F293 AromaticContact CE2-CE2 3.87Å; Y255-F293 HydrophobicContact CE2-CE2 3.87Å; Y255-F293 HydrophobicContact CE2-CG 4.02Å; Y255-F293 HydrophobicContact CE2-CZ 4.19Å; Y255-F293 HydrophobicContact CG-CB 4.43Å; Y255-F293 AromaticContact CG-CD1 3.55Å; Y255-F293 HydrophobicContact CG-CD1 3.55Å; Y255-F293 HydrophobicContact CG-CD2 4.42Å; Y255-F293 AromaticContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CE1 3.86Å; Y255-F293 AromaticContact CG-CG 3.87Å; Y255-F293 HydrophobicContact CG-CG 3.87Å; Y255-F293 HydrophobicContact CG-CZ 4.43Å; F257-F293 HydrophobicContact CE1-CZ 4.27Å; F257-F293 AromaticContact CE2-CE2 3.75Å; F257-F293 HydrophobicContact CE2-CE2 3.75Å; F257-F293 AromaticContact CE2-CZ 3.96Å; F257-F293 HydrophobicContact CE2-CZ 3.96Å; F257-F293 AromaticContact CZ-CE2 3.6Å; F257-F293 HydrophobicContact CZ-CE2 3.6Å; F257-F293 AromaticContact CZ-CZ 3.54Å; F257-F293 HydrophobicContact CZ-CZ 3.54Å; V264-F293 HydrophobicContact CG2-CE1 3.86Å; V264-F293 HydrophobicContact CG2-CZ 3.96Å; L266-F293 HydrophobicContact CD2-CD1 4.13Å; L266-F293 HydrophobicContact CD2-CE1 3.89Å; M282-F293 WeakPolarHBondContact O-CA 3.46Å; M283-F293 HydrophobicContact CB-CD1 4.07Å; M283-F293 HydrophobicContact CB-CE1 3.89Å; M283-F293 HydrophobicContact CG-CD1 4.16Å; M283-F293 HydrophobicContact CG-CE1 3.71Å; M283-F293 HydrophobicContact CG-CZ 4.13Å; M283-F293 HydrophobicContact SD-CE1 3.8Å; M283-F293 HydrophobicContact SD-CZ 3.88Å
294	Q	97.5	Very high	84.3	Confident	46 Å²	46	79.9 Å²	79.9	22%	0.215	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.9	171	-63.6	179.4	-76.5	0	0	108.2	Y78 A281 M282 S284	Y78-Q294 HydrophobicContact CD1-CB 3.96Å; Y78-Q294 HydrophobicContact CE1-CB 3.83Å; Y78-Q294 HydrophobicContact CE1-CG 4.38Å; Y78-Q294 PolarHBondContact O-NE2 3.37Å; A281-Q294 WeakPolarHBondContact CA-O 3.38Å; M282-Q294 HydrophobicContact CG-CB 3.68Å; M282-Q294 HydrophobicContact CG-CG 4.43Å; M282-Q294 PolarHBondContact N-O 3.17Å; M282-Q294 PolarHBondContact O-N 2.88Å; M282-Q294 HydrophobicContact SD-CB 4.22Å; M282-Q294 PolarHBondContact SD-OE1 2.99Å; S284-Q294 PolarHBondContact OG-OE1 3.13Å
295	I	97.1	Very high	81.5	Confident	60 Å²	60	86.9 Å²	86.9	31%	0.308	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.8	-172.7	-53.9	170.4	0	0	0	110.2	Y255 A279 G280 A281 K297	Y255-I295 HydrophobicContact CD1-CD1 4.39Å; Y255-I295 HydrophobicContact CD1-CG1 4.42Å; Y255-I295 HydrophobicContact CE1-CD1 3.83Å; Y255-I295 HydrophobicContact CE1-CG1 4.28Å; A279-I295 HydrophobicContact CB-CG2 3.5Å; A279-I295 VanDerWaalsContact CB-CG2 3.5Å; G280-I295 CarbonylContact O-C 3.56Å; G280-I295 WeakPolarHBondContact O-CA 3.27Å; A281-I295 HydrophobicContact CB-CG1 4.46Å; I295-K297 HydrophobicContact CG2-CG 4.43Å
296	L	92.8	Very high	79.1	Confident	24 Å²	24	91.4 Å²	91.4	13%	0.126	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	98.5	172	-169.7	69	0	0	0	109.8	D71 R74 P270 G280	D71-L296 HydrophobicContact CB-CD2 4.41Å; R74-L296 HydrophobicContact CB-CD1 4.2Å; R74-L296 HydrophobicContact CB-CD2 3.95Å; P270-L296 HydrophobicContact CG-CD2 4.1Å; P270-L296 HydrophobicContact CG-CG 4.49Å; G280-L296 PolarHBondContact N-O 3.33Å; G280-L296 PolarHBondContact O-N 3.09Å
297	K	91.1	Very high	76.6	Confident	151 Å²	151	91.2 Å²	91.2	66%	0.657	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-68	152.3	174.5	-66.1	-168.1	176.1	-165.8	0	111.8	R74 I295	R74-K297 PolarHBondContact NH2-O 3.22Å; R74-K297 VanDerWaalsContact NH2-O 3.12Å; I295-K297 HydrophobicContact CG2-CG 4.43Å
298	P	86.1	Confident	73.8	Confident	40 Å²	40	91.3 Å²	91.3	26%	0.26	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-49.3	142.1	172.7	-28	36.2	0	0	0	111.8	P270 N271 N278	P270-P298 HydrophobicContact CB-CG 4.44Å; N271-P298 HydrophobicContact CB-CB 3.86Å; N271-P298 HydrophobicContact CB-CG 3.92Å; N278-P298 WeakPolarHBondContact O-CG 3.25Å
299	A	73.9	Confident	70.9	Confident	35 Å²	35	96 Å²	96	29%	0.289	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-71.2	133.1	175.9	0	0	0	0	0	110.4	K301 Y306	A299-K301 PolarHBondContact O-N 3.17Å; A299-Y306 HydrophobicContact CB-CE2 4.27Å; A299-Y306 WeakPolarHBondContact CB-OH 3.38Å
300	D	65.8	Low	68.4	Low	101 Å²	101	98.2 Å²	98.2	54%	0.54	52%	0.519	S	S	.	.			trans	-58.2	109.2	174.4	-83.3	-29	0	0	0	110.3	N302 K303	D300-N302 PolarHBondContact O-N 3.27Å; D300-K303 HydrophobicContact CB-CB 4.29Å; D300-K303 HydrophobicContact CB-CD 4.28Å; D300-K303 HydrophobicContact CB-CG 4.28Å; D300-K303 PolarHBondContact O-N 2.88Å; D300-K303 IonicContact OD2-NZ 2.8Å; D300-K303 PolarHBondContact OD2-NZ 3.5Å
301	K	58.5	Low	65.3	Low	171 Å²	171	96.1 Å²	96.1	74%	0.743	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-21.9	176.9	-67.4	179.2	-177.5	167.9	0	113.1	A299	A299-K301 PolarHBondContact O-N 3.17Å
302	N	45.2	Very low	62.1	Low	165 Å²	165	102.3 Å²	102.3	88%	0.882	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-6	-178.9	-74.6	-16.5	0	0	0	115.2	D300	D300-N302 PolarHBondContact O-N 3.27Å
303	K	46.9	Very low	59	Low	146 Å²	146	106.7 Å²	106.7	64%	0.635	58%	0.575	S	S	*	*			trans	-103.4	86.5	172	-71.3	177.4	-173	141.1	0	108.2	D300 K305	D300-K303 HydrophobicContact CB-CB 4.29Å; D300-K303 HydrophobicContact CB-CD 4.28Å; D300-K303 HydrophobicContact CB-CG 4.28Å; D300-K303 PolarHBondContact O-N 2.88Å; D300-K303 IonicContact OD2-NZ 2.8Å; D300-K303 PolarHBondContact OD2-NZ 3.5Å; K303-K305 PolarHBondContact O-N 3.47Å
304	G	39.7	Very low	55.9	Low	81 Å²	81	110.8 Å²	110.8	84%	0.835	61%	0.606	S	S	*	*			trans	-64.9	36.6	176	0	0	0	0	0	115.4
305	K	39.5	Very low	53.3	Low	162 Å²	162	111.7 Å²	111.7	70%	0.704	63%	0.628	S	S	*	*			trans	-134.1	86.6	174.2	-67.3	-169.1	177.9	-175.4	0	109.2	K303 G307	K303-K305 PolarHBondContact O-N 3.47Å; K305-G307 PolarHBondContact O-N 2.95Å
306	Y	48.6	Very low	50.8	Low	98 Å²	98	112.6 Å²	112.6	38%	0.384	65%	0.653	S	S	.	*	S	Bend	trans	-71.2	85.3	150.4	-85.5	-103.3	0	0	0	106.2	P24 A299	P24-Y306 HydrophobicContact CG-CD1 3.82Å; P24-Y306 HydrophobicContact CG-CD2 3.59Å; P24-Y306 HydrophobicContact CG-CE1 3.82Å; P24-Y306 HydrophobicContact CG-CE2 3.62Å; P24-Y306 HydrophobicContact CG-CG 3.69Å; A299-Y306 HydrophobicContact CB-CE2 4.27Å; A299-Y306 WeakPolarHBondContact CB-OH 3.38Å
307	G	45.3	Very low	48	Very low	46 Å²	46	122.3 Å²	122.3	47%	0.474	69%	0.687	S	S	.	*	S	Bend	trans	159.3	114.1	-175.4	0	0	0	0	0	110.4	K305	K305-G307 PolarHBondContact O-N 2.95Å
308	Q	37.2	Very low	45.4	Very low	161 Å²	161	121.1 Å²	121.1	75%	0.752	70%	0.695	S	S	*	*			trans	85.4	76.6	-173.4	-62.7	176	-42.3	0	0	115.7	S310	Q308-S310 PolarHBondContact O-N 2.84Å
309	F	36.7	Very low	43.2	Very low	211 Å²	211	127.2 Å²	127.2	93%	0.925	72%	0.724	S	S	*	*				-76.8	75.6	129.5	-92.5	-86.6	0	0	0	108.2	G311	F309-G311 PolarHBondContact O-N 2.91Å
310	S	43	Very low	41.4	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	75%	0.745	S	S	*	*			trans	-77.4	102.7	160.5	57.8	0	0	0	0	107.2	Q308	Q308-S310 PolarHBondContact O-N 2.84Å
311	G	31.9	Very low	40.1	Very low	69 Å²	69	131.7 Å²	131.7	71%	0.711	75%	0.753	S	S	*	*			trans	-163.4	22.8	-175.2	0	0	0	0	0	116.4	F309	F309-G311 PolarHBondContact O-N 2.91Å
312	L	30.9	Very low	39.1	Very low	175 Å²	175	129.5 Å²	129.5	92%	0.916	76%	0.756	S	S	*	*			trans	-107.5	99.6	161	-81.4	163.7	0	0	0	107.8
313	N	32.2	Very low	38.8	Very low	149 Å²	149	133.5 Å²	133.5	80%	0.797	76%	0.759	S	S	*	*			trans	-87	139.9	157.5	-117.3	-1.6	0	0	0	107.5	G315	N313-G315 PolarHBondContact O-N 3.04Å
314	P	34.1	Very low	38.2	Very low	135 Å²	135	134.5 Å²	134.5	88%	0.877	77%	0.772	S	S	*	*	S	Bend	trans	-71.4	93.1	179.6	29	-31.5	0	0	0	109.1
315	G	42.4	Very low	38	Very low	65 Å²	65	135.8 Å²	135.8	67%	0.67	77%	0.768	S	S	*	*	S	Bend	trans	158.2	78.7	-179.5	0	0	0	0	0	111.2	N313 R317	N313-G315 PolarHBondContact O-N 3.04Å; G315-R317 PolarHBondContact O-N 2.94Å
316	G	44.7	Very low	38.1	Very low	80 Å²	80	132.9 Å²	132.9	83%	0.825	77%	0.774	S	S	*	*			trans	-56.1	117.5	178.2	0	0	0	0	0	112.3
317	R	34.2	Very low	37.5	Very low	228 Å²	228	137.9 Å²	137.9	86%	0.86	80%	0.798	S	S	*	*			trans	-169.2	134.2	151.1	-101.7	166.1	-162	-157	5.1	109.3	G315	G315-R317 PolarHBondContact O-N 2.94Å
318	P	36	Very low	37.1	Very low	126 Å²	126	139.8 Å²	139.8	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.1	139.2	175.8	24.7	-29	0	0	0	111.7
319	I	39.6	Very low	37.1	Very low	167 Å²	167	141.8 Å²	141.8	86%	0.856	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.3	122.5	178.9	-61.7	169.8	0	0	0	108.9
320	T	36.7	Very low	37.1	Very low	120 Å²	120	145.2 Å²	145.2	74%	0.736	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-68.6	134.2	175.9	-39.6	0	0	0	0	110.5
321	P	39.3	Very low	36.8	Very low	110 Å²	110	147.5 Å²	147.5	71%	0.714	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-64.5	141.6	176.9	-17.9	30.1	0	0	0	111.5	R323	P321-R323 PolarHBondContact O-N 2.88Å
322	P	37.7	Very low	37.1	Very low	125 Å²	125	151.6 Å²	151.6	81%	0.812	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-66.1	129.5	176.5	25.8	-32	0	0	0	110.9	N324	P322-N324 PolarHBondContact O-N 2.86Å
323	R	37.8	Very low	37.4	Very low	249 Å²	249	150.3 Å²	150.3	94%	0.94	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-67.5	118.1	178.9	-149.3	175.4	-172.2	175.3	1.9	109.2	P321 S325	P321-R323 PolarHBondContact O-N 2.88Å; R323-S325 PolarHBondContact O-N 2.97Å; R323-S325 VanDerWaalsContact O-N 3.09Å
324	N	34.8	Very low	37.8	Very low	168 Å²	168	150.4 Å²	150.4	90%	0.898	84%	0.841	S	S	*	*			trans	-52.9	115.2	172.5	-88	-19.7	0	0	0	110.2	P322 A326	P322-N324 PolarHBondContact O-N 2.86Å; N324-A326 PolarHBondContact O-N 3.02Å
325	S	36.4	Very low	38	Very low	107 Å²	107	151.3 Å²	151.3	75%	0.748	84%	0.839	S	S	*	*			trans	-80	111	168.4	47.1	0	0	0	0	108.3	R323 K327	R323-S325 PolarHBondContact O-N 2.97Å; R323-S325 VanDerWaalsContact O-N 3.09Å; S325-K327 PolarHBondContact O-N 3.28Å
326	A	40.1	Very low	37.7	Very low	101 Å²	101	157.1 Å²	157.1	84%	0.835	85%	0.85	S	S	*	*			trans	-56.8	117.6	164.3	0	0	0	0	0	108.8	N324	N324-A326 PolarHBondContact O-N 3.02Å
327	K	37.2	Very low	37.2	Very low	204 Å²	204	162.6 Å²	162.6	89%	0.887	85%	0.852	S	S	*	*			trans	-94.3	108.9	161.9	-89.3	-173.1	176.7	179.7	0	109	S325	S325-K327 PolarHBondContact O-N 3.28Å
328	A	35.4	Very low	37.4	Very low	86 Å²	86	157.5 Å²	157.5	71%	0.711	85%	0.851	S	S	*	*			trans	-72.5	140	162.3	0	0	0	0	0	110.8
329	K	37.5	Very low	37.5	Very low	202 Å²	202	160.2 Å²	160.2	88%	0.878	85%	0.854	S	S	*	*			trans	59.7	122.4	144.8	-65.1	179.9	177.9	-177.6	0	119.3
330	K	37.8	Very low	37.4	Very low	283 Å²	283	159.5 Å²	159.5	100%	1.23	85%	0.854	S	S	*	*				-160.1	0	87.5	-114.9	-178.6	179.6	-178.8	0	111.3

Retrieved 330 of 330 residues in 75.3 ms (Link to these results)

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