A0A077ZLU8_TRITR Loading...

Glucose-6-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A077ZLU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 549 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	95.1	Very high	98.4	Very high	46 Å²	46	50.2 Å²	50.2	23%	0.227	27%	0.267	C	S	.	.				0	156.5	0	68.7	176.9	-66.2	0	0	112.4	A78 S81 E86 I88 R363 V498	M1-A78 HydrophobicContact CB-CB 4.11Å; M1-A78 HydrophobicContact CE-CB 4Å; M1-S81 PolarHBondContact N-OG 2.97Å; M1-E86 PolarHBondContact N-OE1 3.3Å; M1-I88 HydrophobicContact CG-CG2 4.22Å; M1-I88 HydrophobicContact SD-CB 3.83Å; M1-I88 HydrophobicContact SD-CG2 3.93Å; M1-R363 VanDerWaalsContact CE-CZ 3.48Å; M1-V498 HydrophobicContact CE-CG1 4.44Å; M1-V498 HydrophobicContact CE-CG2 4.04Å
2	K	98	Very high	98.4	Very high	115 Å²	115	47.9 Å²	47.9	50%	0.5	25%	0.252	S	S	.	.			trans	-87.4	160.1	179.9	-64.3	-174.8	-171.7	159.6	0	113.5	I4 D74 R363	K2-I4 HydrophobicContact CB-CD1 3.75Å; K2-I4 HydrophobicContact CB-CG1 4.19Å; K2-I4 HydrophobicContact CD-CD1 3.68Å; K2-I4 HydrophobicContact CG-CD1 4.38Å; K2-D74 HydrophobicContact CB-CB 4.46Å; K2-D74 HydrophobicContact CD-CB 3.77Å; K2-D74 VanDerWaalsContact CD-OD2 3.26Å; K2-D74 WeakPolarHBondContact CD-OD2 3.44Å; K2-D74 WeakPolarHBondContact CE-OD2 3.41Å; K2-D74 HydrophobicContact CG-CB 4.31Å; K2-D74 WeakPolarHBondContact CG-OD2 3.46Å; K2-D74 IonicContact NZ-OD2 3.27Å; K2-D74 PolarHBondContact NZ-OD2 3.45Å; K2-R363 PolarHBondContact O-NE 3.27Å; K2-R363 PolarHBondContact O-NH2 2.69Å
3	N	98.7	Very high	98.5	Very high	40 Å²	40	55.8 Å²	55.8	21%	0.214	29%	0.287	C	S	.	.			trans	-121.3	52.9	-177.1	-53.5	-24.4	0	0	0	112.1	R90 R363 N364 N501	N3-R90 PolarHBondContact ND2-NH1 2.73Å; N3-R363 HydrophobicContact CB-CB 3.87Å; N3-R363 WeakPolarHBondContact OD1-CB 3.12Å; N3-R363 PolarHBondContact OD1-NE 3.46Å; N3-N364 WeakPolarHBondContact CB-OD1 3.35Å; N3-N364 PolarHBondContact ND2-OD1 3.12Å; N3-N364 PolarHBondContact O-ND2 2.63Å; N3-N501 WeakPolarHBondContact CA-OD1 3.43Å; N3-N501 PolarHBondContact O-ND2 3.01Å
4	I	98.9	Very high	98.5	Very high	47 Å²	47	54.7 Å²	54.7	24%	0.241	29%	0.29	C	S	.	.			trans	-78.2	128	-173.4	-67.8	147.3	0	0	0	109.3	K2 P6 T9 E72 D74 N501	K2-I4 HydrophobicContact CB-CD1 3.75Å; K2-I4 HydrophobicContact CB-CG1 4.19Å; K2-I4 HydrophobicContact CD-CD1 3.68Å; K2-I4 HydrophobicContact CG-CD1 4.38Å; I4-P6 WeakPolarHBondContact O-CD 3.27Å; I4-T9 HydrophobicContact CG2-CG2 3.71Å; I4-E72 VanDerWaalsContact CD1-O 3.25Å; I4-E72 WeakPolarHBondContact CD1-O 3.37Å; I4-D74 HydrophobicContact CD1-CB 4.43Å; I4-N501 VanDerWaalsContact O-CB 3.28Å; I4-N501 WeakPolarHBondContact O-CB 3.32Å; I4-N501 VanDerWaalsContact O-CG 3.29Å
5	N	98.8	Very high	98.5	Very high	43 Å²	43	51.1 Å²	51.1	23%	0.23	27%	0.271	C	S	.	.			trans	-71.1	116.5	171.7	-177.6	-13.9	0	0	0	108.9	T7 Q8 Y370	N5-T7 VanDerWaalsContact C-N 3.28Å; N5-T7 PolarHBondContact O-N 2.86Å; N5-T7 PolarHBondContact OD1-N 3.02Å; N5-T7 VanDerWaalsContact OD1-N 3.15Å; N5-T7 PolarHBondContact OD1-OG1 3.22Å; N5-Q8 HydrophobicContact CB-CB 4.49Å; N5-Q8 HydrophobicContact CB-CG 4.08Å; N5-Q8 PolarHBondContact O-N 2.94Å; N5-Y370 WeakPolarHBondContact OD1-CE1 3.37Å
6	P	98.9	Very high	98.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62	-34.3	-174.2	26.5	-36.9	0	0	0	112.5	I4 Q8 T9 W12 L69 Y370 I499	I4-P6 WeakPolarHBondContact O-CD 3.27Å; P6-Q8 PolarHBondContact O-N 2.98Å; P6-Q8 VanDerWaalsContact O-N 3.14Å; P6-T9 WeakPolarHBondContact O-CB 3.43Å; P6-T9 WeakPolarHBondContact O-CG2 3.22Å; P6-T9 PolarHBondContact O-N 3.35Å; P6-T9 VanDerWaalsContact O-N 3.14Å; P6-T9 PolarHBondContact O-OG1 2.69Å; P6-W12 HydrophobicContact CB-CE3 3.75Å; P6-W12 HydrophobicContact CB-CZ3 3.81Å; P6-W12 HydrophobicContact CG-CZ3 4.27Å; P6-W12 WeakPolarHBondContact O-CB 3.42Å; P6-L69 HydrophobicContact CB-CD1 4.31Å; P6-Y370 HydrophobicContact CG-CE1 4.18Å; P6-Y370 HydrophobicContact CG-CE2 4.09Å; P6-I499 WeakPolarHBondContact CB-O 3.41Å; P6-I499 WeakPolarHBondContact CG-O 3.45Å
7	T	98.8	Very high	98.6	Very high	34 Å²	34	57.8 Å²	57.8	21%	0.209	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-69.6	-13.5	-176.6	66.5	0	0	0	0	113.6	N5 W12 Y370	N5-T7 VanDerWaalsContact C-N 3.28Å; N5-T7 PolarHBondContact O-N 2.86Å; N5-T7 PolarHBondContact OD1-N 3.02Å; N5-T7 VanDerWaalsContact OD1-N 3.15Å; N5-T7 PolarHBondContact OD1-OG1 3.22Å; T7-W12 HydrophobicContact CG2-CD2 4.39Å; T7-W12 HydrophobicContact CG2-CH2 4.49Å; T7-W12 HydrophobicContact CG2-CZ2 3.97Å; T7-Y370 HydrophobicContact CG2-CD1 3.45Å; T7-Y370 VanDerWaalsContact CG2-CD1 3.45Å; T7-Y370 HydrophobicContact CG2-CE1 4.18Å; T7-Y370 HydrophobicContact CG2-CG 3.96Å
8	Q	98.7	Very high	98.6	Very high	150 Å²	150	54.9 Å²	54.9	70%	0.701	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-99.3	2.8	179.1	-55.3	-60.2	-41.3	0	0	112.9	N5 P6	N5-Q8 HydrophobicContact CB-CB 4.49Å; N5-Q8 HydrophobicContact CB-CG 4.08Å; N5-Q8 PolarHBondContact O-N 2.94Å; P6-Q8 PolarHBondContact O-N 2.98Å; P6-Q8 VanDerWaalsContact O-N 3.14Å
9	T	98.9	Very high	98.6	Very high	10 Å²	10	53.5 Å²	53.5	6%	0.061	27%	0.272	C	S	.	.	S	Bend	trans	-82.6	152.4	178	64.6	0	0	0	0	111.4	I4 P6 A11 W12 Q13 L69 E72	I4-T9 HydrophobicContact CG2-CG2 3.71Å; P6-T9 WeakPolarHBondContact O-CB 3.43Å; P6-T9 WeakPolarHBondContact O-CG2 3.22Å; P6-T9 PolarHBondContact O-N 3.35Å; P6-T9 VanDerWaalsContact O-N 3.14Å; P6-T9 PolarHBondContact O-OG1 2.69Å; T9-A11 VanDerWaalsContact C-N 3.31Å; T9-W12 PolarHBondContact O-N 2.68Å; T9-W12 VanDerWaalsContact OG1-CB 3.24Å; T9-W12 WeakPolarHBondContact OG1-CB 3.22Å; T9-W12 PolarHBondContact OG1-N 2.82Å; T9-W12 VanDerWaalsContact OG1-N 3.1Å; T9-Q13 PolarHBondContact O-N 2.87Å; T9-L69 HydrophobicContact CG2-CD1 4.45Å; T9-L69 WeakPolarHBondContact OG1-CD1 3.33Å; T9-E72 WeakPolarHBondContact CB-OE2 3.32Å; T9-E72 HydrophobicContact CG2-CB 4.17Å
10	A	98.8	Very high	98.6	Very high	63 Å²	63	55.4 Å²	55.4	52%	0.521	28%	0.283	S	S	.	.	H	α-helix	trans	-67.9	-37.6	175.6	0	0	0	0	0	110.6	W12 Q13 A14 E72	A10-W12 VanDerWaalsContact C-N 3.32Å; A10-W12 PolarHBondContact O-N 2.89Å; A10-Q13 PolarHBondContact O-N 2.89Å; A10-A14 PolarHBondContact O-N 3.12Å; A10-E72 PolarHBondContact N-OE2 2.82Å
11	A	98.8	Very high	98.6	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-56.1	-41.1	173.1	0	0	0	0	0	113.2	T9 A14 L15 D68 L69 E72	T9-A11 VanDerWaalsContact C-N 3.31Å; A11-A14 PolarHBondContact O-N 3.44Å; A11-L15 WeakPolarHBondContact O-CB 3.36Å; A11-L15 WeakPolarHBondContact O-CG 3.31Å; A11-L15 PolarHBondContact O-N 2.83Å; A11-D68 HydrophobicContact CB-CB 3.99Å; A11-L69 VanDerWaalsContact CB-CA 3.47Å; A11-L69 HydrophobicContact CB-CB 3.86Å; A11-L69 HydrophobicContact CB-CD1 4.36Å; A11-E72 HydrophobicContact CB-CG 4.44Å; A11-E72 WeakPolarHBondContact CB-OE1 3.19Å; A11-E72 PolarHBondContact N-OE1 2.91Å
12	W	98.9	Very high	98.7	Very high	23 Å²	23	56.6 Å²	56.6	9%	0.087	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-43.8	176.8	-170.6	-79.4	0	0	0	112.5	P6 T7 T9 A10 A14 L15 Q16 L69 N326 F327	P6-W12 HydrophobicContact CB-CE3 3.75Å; P6-W12 HydrophobicContact CB-CZ3 3.81Å; P6-W12 HydrophobicContact CG-CZ3 4.27Å; P6-W12 WeakPolarHBondContact O-CB 3.42Å; T7-W12 HydrophobicContact CG2-CD2 4.39Å; T7-W12 HydrophobicContact CG2-CH2 4.49Å; T7-W12 HydrophobicContact CG2-CZ2 3.97Å; T9-W12 PolarHBondContact O-N 2.68Å; T9-W12 VanDerWaalsContact OG1-CB 3.24Å; T9-W12 WeakPolarHBondContact OG1-CB 3.22Å; T9-W12 PolarHBondContact OG1-N 2.82Å; T9-W12 VanDerWaalsContact OG1-N 3.1Å; A10-W12 VanDerWaalsContact C-N 3.32Å; A10-W12 PolarHBondContact O-N 2.89Å; W12-A14 VanDerWaalsContact C-N 3.27Å; W12-A14 PolarHBondContact O-N 2.81Å; W12-L15 PolarHBondContact O-N 3.28Å; W12-Q16 PolarHBondContact O-N 2.96Å; W12-L69 HydrophobicContact CB-CD1 4.46Å; W12-L69 HydrophobicContact CE3-CD1 4.14Å; W12-L69 HydrophobicContact CE3-CD2 3.89Å; W12-L69 HydrophobicContact CZ3-CD2 4.2Å; W12-N326 HydrophobicContact CH2-CB 3.62Å; W12-N326 HydrophobicContact CZ2-CB 4.16Å; W12-N326 HydrophobicContact CZ3-CB 4.49Å; W12-F327 AromaticContact CD2-CZ 3.99Å; W12-F327 HydrophobicContact CD2-CZ 3.99Å; W12-F327 HydrophobicContact CE3-CZ 4.14Å; W12-F327 HydrophobicContact CH2-CZ 4.42Å; W12-F327 HydrophobicContact CZ2-CZ 4.23Å; W12-F327 HydrophobicContact CZ3-CZ 4.36Å
13	Q	98.8	Very high	98.8	Very high	151 Å²	151	55.2 Å²	55.2	71%	0.706	28%	0.281	S	S	*	.	H	α-helix	trans	-60.9	-39.7	174.8	-171.8	179.2	5.6	0	0	111.4	T9 A10 Q16 K17	T9-Q13 PolarHBondContact O-N 2.87Å; A10-Q13 PolarHBondContact O-N 2.89Å; Q13-Q16 PolarHBondContact O-N 3.45Å; Q13-K17 PolarHBondContact O-N 2.9Å; Q13-K17 VanDerWaalsContact O-N 3.12Å
14	A	98.9	Very high	98.7	Very high	40 Å²	40	59.3 Å²	59.3	33%	0.331	30%	0.303	S	S	.	.	H	α-helix	trans	-65.2	-40.7	175.4	0	0	0	0	0	112.3	A10 A11 W12 K17 H18 K65	A10-A14 PolarHBondContact O-N 3.12Å; A11-A14 PolarHBondContact O-N 3.44Å; W12-A14 VanDerWaalsContact C-N 3.27Å; W12-A14 PolarHBondContact O-N 2.81Å; A14-K17 PolarHBondContact O-N 3.46Å; A14-H18 VanDerWaalsContact O-CB 3.32Å; A14-H18 WeakPolarHBondContact O-CB 3.16Å; A14-H18 PolarHBondContact O-N 3.43Å; A14-K65 HydrophobicContact CB-CD 4.3Å
15	L	98.9	Very high	98.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-39.5	174.7	-76.9	163.8	0	0	0	112.1	A11 W12 H18 F19 K65 L66 L69 W323 F327	A11-L15 WeakPolarHBondContact O-CB 3.36Å; A11-L15 WeakPolarHBondContact O-CG 3.31Å; A11-L15 PolarHBondContact O-N 2.83Å; W12-L15 PolarHBondContact O-N 3.28Å; L15-H18 WeakPolarHBondContact O-CB 3.34Å; L15-H18 PolarHBondContact O-N 2.86Å; L15-F19 WeakPolarHBondContact O-CB 3.48Å; L15-F19 PolarHBondContact O-N 3.11Å; L15-K65 HydrophobicContact CD2-CB 3.55Å; L15-K65 HydrophobicContact CG-CB 3.92Å; L15-L66 HydrophobicContact CD1-CD2 4.02Å; L15-L66 HydrophobicContact CD2-CD2 3.85Å; L15-L66 HydrophobicContact CD2-CG 3.84Å; L15-L69 HydrophobicContact CD1-CB 3.96Å; L15-L69 HydrophobicContact CD1-CD2 3.77Å; L15-L69 HydrophobicContact CD1-CG 4.42Å; L15-W323 HydrophobicContact CD2-CE3 4.25Å; L15-W323 HydrophobicContact CD2-CZ3 4.02Å; L15-F327 HydrophobicContact CB-CD1 4.38Å; L15-F327 HydrophobicContact CB-CE1 3.5Å; L15-F327 VanDerWaalsContact CB-CE1 3.5Å; L15-F327 HydrophobicContact CB-CE2 4.11Å; L15-F327 HydrophobicContact CB-CZ 3.33Å; L15-F327 HydrophobicContact CD1-CE2 4.09Å; L15-F327 HydrophobicContact CD1-CZ 3.8Å; L15-F327 HydrophobicContact CG-CZ 4.13Å
16	Q	98.8	Very high	98.7	Very high	76 Å²	76	58.8 Å²	58.8	36%	0.355	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-44.9	177.1	-169.8	65.1	61.5	0	0	111.3	W12 Q13 F19 D20 F327	W12-Q16 PolarHBondContact O-N 2.96Å; Q13-Q16 PolarHBondContact O-N 3.45Å; Q16-F19 WeakPolarHBondContact O-CB 3.33Å; Q16-F19 PolarHBondContact O-N 3.17Å; Q16-D20 PolarHBondContact O-N 2.76Å; Q16-F327 HydrophobicContact CB-CE1 4.41Å
17	K	98.8	Very high	98.7	Very high	140 Å²	140	58.8 Å²	58.8	61%	0.609	30%	0.304	S	S	*	.	H	α-helix	trans	-62.7	-44.2	174.4	-175.1	-176.3	175.1	-172.6	0	111.5	Q13 A14 F19 D20	Q13-K17 PolarHBondContact O-N 2.9Å; Q13-K17 VanDerWaalsContact O-N 3.12Å; A14-K17 PolarHBondContact O-N 3.46Å; K17-F19 VanDerWaalsContact C-N 3.27Å; K17-F19 PolarHBondContact O-N 3.39Å; K17-D20 PolarHBondContact O-N 3.43Å
18	H	98.8	Very high	98.7	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.028	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-37.1	177.3	-167.5	62.1	0	0	0	112.4	A14 L15 D20 E21 M22 E61 T62 K65 W323	A14-H18 VanDerWaalsContact O-CB 3.32Å; A14-H18 WeakPolarHBondContact O-CB 3.16Å; A14-H18 PolarHBondContact O-N 3.43Å; L15-H18 WeakPolarHBondContact O-CB 3.34Å; L15-H18 PolarHBondContact O-N 2.86Å; H18-D20 VanDerWaalsContact C-N 3.35Å; H18-E21 WeakPolarHBondContact O-CB 3.34Å; H18-E21 PolarHBondContact O-N 3.42Å; H18-E21 VanDerWaalsContact O-N 3.17Å; H18-M22 VanDerWaalsContact NE2-CG 3.28Å; H18-M22 WeakPolarHBondContact NE2-CG 3.34Å; H18-M22 WeakPolarHBondContact O-CB 3.38Å; H18-M22 PolarHBondContact O-N 3.12Å; H18-E61 IonicContact CE1-OE2 2.8Å; H18-E61 IonicContact ND1-OE1 3.94Å; H18-T62 PolarHBondContact NE2-OG1 3.19Å; H18-K65 HydrophobicContact CB-CD 3.66Å; H18-K65 VanDerWaalsContact CG-CE 3.45Å; H18-K65 VanDerWaalsContact ND1-CE 3.33Å; H18-K65 WeakPolarHBondContact ND1-CE 3.47Å; H18-W323 AromaticContact CD2-CH2 3.91Å
19	F	98.8	Very high	98.7	Very high	28 Å²	28	55.6 Å²	55.6	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-40.8	176.6	176.4	-103	0	0	0	111.9	L15 Q16 K17 E21 M22 K23 W323 F327 F328	L15-F19 WeakPolarHBondContact O-CB 3.48Å; L15-F19 PolarHBondContact O-N 3.11Å; Q16-F19 WeakPolarHBondContact O-CB 3.33Å; Q16-F19 PolarHBondContact O-N 3.17Å; K17-F19 VanDerWaalsContact C-N 3.27Å; K17-F19 PolarHBondContact O-N 3.39Å; F19-E21 PolarHBondContact O-N 3.02Å; F19-E21 VanDerWaalsContact O-N 3.16Å; F19-M22 PolarHBondContact O-N 2.91Å; F19-M22 VanDerWaalsContact O-N 3.09Å; F19-K23 HydrophobicContact CD2-CB 4.33Å; F19-K23 HydrophobicContact CE1-CB 4.08Å; F19-K23 HydrophobicContact CE1-CD 4.47Å; F19-K23 HydrophobicContact CE2-CB 3.86Å; F19-K23 HydrophobicContact CZ-CB 3.73Å; F19-K23 VanDerWaalsContact O-CB 3.28Å; F19-K23 WeakPolarHBondContact O-CB 3.21Å; F19-K23 PolarHBondContact O-N 3.15Å; F19-W323 HydrophobicContact CB-CH2 3.67Å; F19-W323 HydrophobicContact CB-CZ3 4.04Å; F19-W323 AromaticContact CD2-CH2 3.94Å; F19-W323 HydrophobicContact CD2-CH2 3.94Å; F19-W323 HydrophobicContact CD2-CZ2 4.11Å; F19-W323 HydrophobicContact CD2-CZ3 4.46Å; F19-W323 HydrophobicContact CG-CH2 4.32Å; F19-F327 HydrophobicContact CB-CB 4.25Å; F19-F327 HydrophobicContact CB-CD1 4.22Å; F19-F327 HydrophobicContact CD2-CB 3.69Å; F19-F327 WeakPolarHBondContact CE1-O 3.3Å; F19-F327 HydrophobicContact CE2-CB 4.18Å; F19-F327 HydrophobicContact CG-CB 3.9Å; F19-F327 WeakPolarHBondContact CZ-O 3.48Å; F19-F328 HydrophobicContact CD2-CD2 4.17Å; F19-F328 HydrophobicContact CD2-CE2 4.06Å; F19-F328 HydrophobicContact CD2-CZ 4.4Å; F19-F328 HydrophobicContact CE2-CB 4.37Å; F19-F328 AromaticContact CE2-CD1 3.77Å; F19-F328 HydrophobicContact CE2-CD1 3.77Å; F19-F328 AromaticContact CE2-CD2 3.63Å; F19-F328 HydrophobicContact CE2-CD2 3.63Å; F19-F328 AromaticContact CE2-CE1 3.86Å; F19-F328 HydrophobicContact CE2-CE1 3.86Å; F19-F328 AromaticContact CE2-CE2 3.71Å; F19-F328 HydrophobicContact CE2-CE2 3.71Å; F19-F328 AromaticContact CE2-CG 3.65Å; F19-F328 HydrophobicContact CE2-CG 3.65Å; F19-F328 AromaticContact CE2-CZ 3.84Å; F19-F328 HydrophobicContact CE2-CZ 3.84Å; F19-F328 HydrophobicContact CZ-CD1 4.29Å; F19-F328 HydrophobicContact CZ-CG 4.35Å
20	D	98.7	Very high	98.7	Very high	91 Å²	91	55.8 Å²	55.8	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-28.5	175.8	-72.9	-36.5	0	0	0	112.8	Q16 K17 H18	Q16-D20 PolarHBondContact O-N 2.76Å; K17-D20 PolarHBondContact O-N 3.43Å; H18-D20 VanDerWaalsContact C-N 3.35Å
21	E	98.4	Very high	98.7	Very high	117 Å²	117	55.2 Å²	55.2	55%	0.547	28%	0.282	S	S	.	.	H	α-helix	trans	-85.9	-32.4	176.4	-59.4	169.9	-166.6	0	0	112.4	H18 F19	H18-E21 WeakPolarHBondContact O-CB 3.34Å; H18-E21 PolarHBondContact O-N 3.42Å; H18-E21 VanDerWaalsContact O-N 3.17Å; F19-E21 PolarHBondContact O-N 3.02Å; F19-E21 VanDerWaalsContact O-N 3.16Å
22	M	98.6	Very high	98.7	Very high	11 Å²	11	59.1 Å²	59.1	5%	0.054	31%	0.314	C	S	.	.	H	α-helix	trans	-93.3	-20.5	-174.5	-80.7	-66	-64.5	0	0	115.4	H18 F19 D24 V25 R57 T59 W323	H18-M22 VanDerWaalsContact NE2-CG 3.28Å; H18-M22 WeakPolarHBondContact NE2-CG 3.34Å; H18-M22 WeakPolarHBondContact O-CB 3.38Å; H18-M22 PolarHBondContact O-N 3.12Å; F19-M22 PolarHBondContact O-N 2.91Å; F19-M22 VanDerWaalsContact O-N 3.09Å; M22-D24 PolarHBondContact O-N 3.44Å; M22-V25 HydrophobicContact CE-CB 4.19Å; M22-V25 HydrophobicContact CE-CG1 4.22Å; M22-V25 WeakPolarHBondContact O-CB 3.49Å; M22-V25 PolarHBondContact O-N 3.15Å; M22-V25 HydrophobicContact SD-CB 4.14Å; M22-V25 HydrophobicContact SD-CG1 4.35Å; M22-V25 HydrophobicContact SD-CG2 3.89Å; M22-R57 WeakPolarHBondContact CE-O 3.39Å; M22-T59 HydrophobicContact CE-CG2 4.03Å; M22-T59 HydrophobicContact SD-CG2 3.96Å; M22-W323 HydrophobicContact CB-CH2 4.42Å; M22-W323 HydrophobicContact CB-CZ2 3.94Å; M22-W323 HydrophobicContact CG-CZ2 4.42Å
23	K	98.3	Very high	98.7	Very high	85 Å²	85	66.1 Å²	66.1	37%	0.37	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.1	-168.7	66.3	-176.2	177.1	-169.3	0	115.4	F19 R57	F19-K23 HydrophobicContact CD2-CB 4.33Å; F19-K23 HydrophobicContact CE1-CB 4.08Å; F19-K23 HydrophobicContact CE1-CD 4.47Å; F19-K23 HydrophobicContact CE2-CB 3.86Å; F19-K23 HydrophobicContact CZ-CB 3.73Å; F19-K23 VanDerWaalsContact O-CB 3.28Å; F19-K23 WeakPolarHBondContact O-CB 3.21Å; F19-K23 PolarHBondContact O-N 3.15Å; K23-R57 PolarHBondContact O-NH2 3.05Å
24	D	98.3	Very high	98.6	Very high	126 Å²	126	60.5 Å²	60.5	67%	0.674	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-5	178.1	-62	-49.3	0	0	0	112.9	M22 T26	M22-D24 PolarHBondContact O-N 3.44Å; D24-T26 PolarHBondContact O-N 2.95Å
25	V	98.6	Very high	98.6	Very high	37 Å²	37	63 Å²	63	22%	0.224	35%	0.35	C	S	.	.			trans	-63.7	136.1	176.7	175	0	0	0	0	109.9	M22 L30 R57 N466	M22-V25 HydrophobicContact CE-CB 4.19Å; M22-V25 HydrophobicContact CE-CG1 4.22Å; M22-V25 WeakPolarHBondContact O-CB 3.49Å; M22-V25 PolarHBondContact O-N 3.15Å; M22-V25 HydrophobicContact SD-CB 4.14Å; M22-V25 HydrophobicContact SD-CG1 4.35Å; M22-V25 HydrophobicContact SD-CG2 3.89Å; V25-L30 HydrophobicContact CG1-CD1 4.19Å; V25-L30 HydrophobicContact CG1-CD2 3.78Å; V25-L30 HydrophobicContact CG1-CG 3.87Å; V25-R57 PolarHBondContact O-NE 2.95Å; V25-R57 VanDerWaalsContact O-NE 3.17Å; V25-R57 PolarHBondContact O-NH2 2.82Å; V25-N466 PolarHBondContact O-ND2 2.92Å
26	T	98.8	Very high	98.6	Very high	43 Å²	43	67.2 Å²	67.2	26%	0.264	37%	0.372	S	S	.	.			trans	-98.3	144.7	-178.2	78.4	0	0	0	0	112.3	D24 A28 D29 L30 N466	D24-T26 PolarHBondContact O-N 2.95Å; T26-A28 PolarHBondContact O-N 2.67Å; T26-D29 PolarHBondContact O-N 2.86Å; T26-D29 WeakPolarHBondContact OG1-CB 3.42Å; T26-D29 PolarHBondContact OG1-N 3.43Å; T26-D29 VanDerWaalsContact OG1-N 3.15Å; T26-D29 PolarHBondContact OG1-OD2 2.9Å; T26-L30 WeakPolarHBondContact O-CG 3.07Å; T26-L30 PolarHBondContact O-N 3.19Å; T26-N466 WeakPolarHBondContact CA-OD1 3.38Å
27	I	98.9	Very high	98.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-38.8	173.5	-64.5	166.4	0	0	0	110.8	D29 L30 F31 K55 R57 A432 F433 N466	I27-D29 PolarHBondContact O-N 3.37Å; I27-L30 WeakPolarHBondContact O-CB 3.34Å; I27-L30 PolarHBondContact O-N 3.23Å; I27-L30 VanDerWaalsContact O-N 3.15Å; I27-F31 HydrophobicContact CG2-CD2 3.75Å; I27-F31 HydrophobicContact CG2-CE2 3.72Å; I27-F31 WeakPolarHBondContact O-CD2 3.21Å; I27-F31 PolarHBondContact O-N 2.99Å; I27-F31 VanDerWaalsContact O-N 3.13Å; I27-K55 WeakPolarHBondContact CD1-O 3.27Å; I27-R57 HydrophobicContact CD1-CG 4.09Å; I27-R57 HydrophobicContact CG1-CG 3.8Å; I27-A432 HydrophobicContact CB-CB 4.47Å; I27-A432 HydrophobicContact CD1-CB 4.45Å; I27-A432 HydrophobicContact CG2-CB 3.83Å; I27-F433 HydrophobicContact CG2-CE1 4.46Å; I27-N466 PolarHBondContact N-OD1 3.21Å
28	A	98.7	Very high	98.6	Very high	40 Å²	40	62 Å²	62	33%	0.331	35%	0.348	S	S	.	.	H	α-helix	trans	-56.1	-47.6	177.5	0	0	0	0	0	112.3	T26 L30 F31 A32 F433	T26-A28 PolarHBondContact O-N 2.67Å; A28-L30 VanDerWaalsContact C-N 3.29Å; A28-L30 PolarHBondContact O-N 3.4Å; A28-F31 PolarHBondContact O-N 3.07Å; A28-A32 WeakPolarHBondContact O-CB 3.35Å; A28-A32 PolarHBondContact O-N 3.49Å; A28-F433 HydrophobicContact CB-CD1 4Å
29	D	98.7	Very high	98.6	Very high	76 Å²	76	64.2 Å²	64.2	41%	0.406	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-35	178.1	-65.6	-40.1	0	0	0	112.4	T26 I27 A32 K33	T26-D29 PolarHBondContact O-N 2.86Å; T26-D29 WeakPolarHBondContact OG1-CB 3.42Å; T26-D29 PolarHBondContact OG1-N 3.43Å; T26-D29 VanDerWaalsContact OG1-N 3.15Å; T26-D29 PolarHBondContact OG1-OD2 2.9Å; I27-D29 PolarHBondContact O-N 3.37Å; D29-A32 PolarHBondContact O-N 3.16Å; D29-K33 VanDerWaalsContact O-CG 3.25Å; D29-K33 WeakPolarHBondContact O-CG 3.36Å; D29-K33 PolarHBondContact O-N 3.3Å; D29-K33 VanDerWaalsContact O-N 3.12Å
30	L	98.8	Very high	98.6	Very high	14 Å²	14	67 Å²	67	7%	0.073	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-40.2	178.4	-66	174.8	0	0	0	111.8	V25 T26 I27 A28 T59	V25-L30 HydrophobicContact CG1-CD1 4.19Å; V25-L30 HydrophobicContact CG1-CD2 3.78Å; V25-L30 HydrophobicContact CG1-CG 3.87Å; T26-L30 WeakPolarHBondContact O-CG 3.07Å; T26-L30 PolarHBondContact O-N 3.19Å; I27-L30 WeakPolarHBondContact O-CB 3.34Å; I27-L30 PolarHBondContact O-N 3.23Å; I27-L30 VanDerWaalsContact O-N 3.15Å; A28-L30 VanDerWaalsContact C-N 3.29Å; A28-L30 PolarHBondContact O-N 3.4Å; L30-T59 HydrophobicContact CD2-CG2 3.79Å
31	F	98.8	Very high	98.6	Very high	51 Å²	51	62.7 Å²	62.7	22%	0.224	35%	0.354	C	S	.	.	H	α-helix	trans	-73.1	-38.2	173.7	-83.8	-93.1	0	0	0	112.3	I27 A28 K33 D34 R37 S54 K55 F433	I27-F31 HydrophobicContact CG2-CD2 3.75Å; I27-F31 HydrophobicContact CG2-CE2 3.72Å; I27-F31 WeakPolarHBondContact O-CD2 3.21Å; I27-F31 PolarHBondContact O-N 2.99Å; I27-F31 VanDerWaalsContact O-N 3.13Å; A28-F31 PolarHBondContact O-N 3.07Å; F31-K33 PolarHBondContact O-N 3.1Å; F31-D34 CarbonylContact O-C 3.56Å; F31-D34 PolarHBondContact O-N 3.49Å; F31-R37 HydrophobicContact CD1-CB 4.33Å; F31-R37 HydrophobicContact CE1-CB 4.44Å; F31-R37 HydrophobicContact CE1-CG 4.43Å; F31-S54 WeakPolarHBondContact CE2-O 3.4Å; F31-S54 WeakPolarHBondContact CZ-OG 3.31Å; F31-K55 HydrophobicContact CE2-CG 4.12Å; F31-K55 HydrophobicContact CZ-CG 3.98Å; F31-F433 HydrophobicContact CB-CE1 4.26Å; F31-F433 HydrophobicContact CD2-CE1 4.02Å; F31-F433 HydrophobicContact CD2-CZ 4.05Å; F31-F433 HydrophobicContact CE2-CZ 4.37Å; F31-F433 HydrophobicContact CG-CE1 4.21Å; F31-F433 HydrophobicContact CG-CZ 4.15Å
32	A	98.6	Very high	98.6	Very high	86 Å²	86	57.9 Å²	57.9	71%	0.711	33%	0.333	S	S	*	.	H	α-helix	trans	-63.1	-31.4	-179.9	0	0	0	0	0	113	A28 D29	A28-A32 WeakPolarHBondContact O-CB 3.35Å; A28-A32 PolarHBondContact O-N 3.49Å; D29-A32 PolarHBondContact O-N 3.16Å
33	K	98.3	Very high	98.6	Very high	171 Å²	171	58.4 Å²	58.4	74%	0.743	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.5	179.9	-70.1	170.9	-172.2	175.9	0	114	D29 F31	D29-K33 VanDerWaalsContact O-CG 3.25Å; D29-K33 WeakPolarHBondContact O-CG 3.36Å; D29-K33 PolarHBondContact O-N 3.3Å; D29-K33 VanDerWaalsContact O-N 3.12Å; F31-K33 PolarHBondContact O-N 3.1Å
34	D	98.3	Very high	98.6	Very high	32 Å²	32	58.2 Å²	58.2	17%	0.171	35%	0.345	C	S	.	.			trans	-148.2	101.6	-174	-176.7	14.2	0	0	0	112.3	F31 D36 R37 K40	F31-D34 CarbonylContact O-C 3.56Å; F31-D34 PolarHBondContact O-N 3.49Å; D34-D36 PolarHBondContact O-N 3.32Å; D34-D36 VanDerWaalsContact O-N 3.14Å; D34-D36 PolarHBondContact OD1-N 2.71Å; D34-R37 HydrophobicContact CB-CB 4.24Å; D34-R37 WeakPolarHBondContact O-CB 3.35Å; D34-R37 PolarHBondContact O-N 2.9Å; D34-R37 VanDerWaalsContact O-N 3.16Å; D34-K40 VanDerWaalsContact CG-NZ 3.27Å; D34-K40 IonicContact OD1-NZ 3.91Å; D34-K40 PolarHBondContact OD1-NZ 3.26Å; D34-K40 WeakPolarHBondContact OD2-CD 3.33Å; D34-K40 WeakPolarHBondContact OD2-CE 3.36Å; D34-K40 IonicContact OD2-NZ 3.71Å; D34-K40 PolarHBondContact OD2-NZ 3.07Å
35	G	98.2	Very high	98.6	Very high	92 Å²	92	52.8 Å²	52.8	95%	0.948	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.7	177.3	0	0	0	0	0	114.4
36	D	98.5	Very high	98.6	Very high	89 Å²	89	55.3 Å²	55.3	48%	0.476	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	13.8	179.4	-161.9	30.8	0	0	0	112.4	D34 F38 S39 K40	D34-D36 PolarHBondContact O-N 3.32Å; D34-D36 VanDerWaalsContact O-N 3.14Å; D34-D36 PolarHBondContact OD1-N 2.71Å; D36-F38 VanDerWaalsContact C-N 3.26Å; D36-F38 PolarHBondContact O-N 2.86Å; D36-S39 PolarHBondContact O-N 2.99Å; D36-S39 VanDerWaalsContact O-N 3.12Å; D36-S39 PolarHBondContact O-OG 2.85Å; D36-S39 WeakPolarHBondContact OD1-CB 3.45Å; D36-S39 PolarHBondContact OD1-OG 2.82Å; D36-S39 PolarHBondContact OD2-OG 2.77Å; D36-S39 VanDerWaalsContact OD2-OG 3.05Å; D36-K40 PolarHBondContact O-N 2.93Å
37	R	98.7	Very high	98.6	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.019	34%	0.344	C	S	.	.	H	α-helix	trans	-54.3	-40.2	-177.4	-178.6	177.1	175.7	77	1.7	113.1	F31 D34 S39 K40 F41 S54 N56 I58	F31-R37 HydrophobicContact CD1-CB 4.33Å; F31-R37 HydrophobicContact CE1-CB 4.44Å; F31-R37 HydrophobicContact CE1-CG 4.43Å; D34-R37 HydrophobicContact CB-CB 4.24Å; D34-R37 WeakPolarHBondContact O-CB 3.35Å; D34-R37 PolarHBondContact O-N 2.9Å; D34-R37 VanDerWaalsContact O-N 3.16Å; R37-S39 VanDerWaalsContact C-N 3.33Å; R37-S39 PolarHBondContact O-N 2.86Å; R37-K40 PolarHBondContact O-N 2.83Å; R37-F41 HydrophobicContact CG-CD2 3.89Å; R37-F41 HydrophobicContact CG-CE2 4.34Å; R37-F41 WeakPolarHBondContact O-CD2 3.5Å; R37-F41 PolarHBondContact O-N 3.46Å; R37-F41 VanDerWaalsContact O-N 3.08Å; R37-S54 PolarHBondContact NE-O 3.41Å; R37-S54 PolarHBondContact NH2-O 2.89Å; R37-N56 PolarHBondContact NH2-O 3.26Å; R37-I58 PolarHBondContact NH1-O 3.02Å; R37-I58 PolarHBondContact NH2-O 3.01Å
38	F	98.8	Very high	98.6	Very high	101 Å²	101	60.4 Å²	60.4	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-56.3	-46.9	178.9	165.2	-102.4	0	0	0	112	D36 K40 F41 S42 L50 D52	D36-F38 VanDerWaalsContact C-N 3.26Å; D36-F38 PolarHBondContact O-N 2.86Å; F38-K40 VanDerWaalsContact C-N 3.31Å; F38-K40 PolarHBondContact O-N 2.95Å; F38-F41 CarbonylContact O-C 3.51Å; F38-F41 PolarHBondContact O-N 2.89Å; F38-S42 VanDerWaalsContact O-CB 3.29Å; F38-S42 WeakPolarHBondContact O-CB 3.3Å; F38-S42 PolarHBondContact O-N 3.12Å; F38-S42 PolarHBondContact O-OG 3.35Å; F38-L50 HydrophobicContact CE2-CD2 4.32Å; F38-L50 HydrophobicContact CZ-CD1 4.24Å; F38-L50 HydrophobicContact CZ-CD2 4.09Å; F38-D52 HydrophobicContact CE2-CB 4.15Å
39	S	98.3	Very high	98.6	Very high	54 Å²	54	58.5 Å²	58.5	38%	0.378	34%	0.337	S	S	.	.	H	α-helix	trans	-71	-29.5	-175	75.4	0	0	0	0	112.3	D36 R37	D36-S39 PolarHBondContact O-N 2.99Å; D36-S39 VanDerWaalsContact O-N 3.12Å; D36-S39 PolarHBondContact O-OG 2.85Å; D36-S39 WeakPolarHBondContact OD1-CB 3.45Å; D36-S39 PolarHBondContact OD1-OG 2.82Å; D36-S39 PolarHBondContact OD2-OG 2.77Å; D36-S39 VanDerWaalsContact OD2-OG 3.05Å; R37-S39 VanDerWaalsContact C-N 3.33Å; R37-S39 PolarHBondContact O-N 2.86Å
40	K	98.5	Very high	98.6	Very high	86 Å²	86	56.8 Å²	56.8	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-75.8	-29.3	176.6	-64.5	177.6	-172	167.3	0	113.2	D34 D36 R37 F38 E60	D34-K40 VanDerWaalsContact CG-NZ 3.27Å; D34-K40 IonicContact OD1-NZ 3.91Å; D34-K40 PolarHBondContact OD1-NZ 3.26Å; D34-K40 WeakPolarHBondContact OD2-CD 3.33Å; D34-K40 WeakPolarHBondContact OD2-CE 3.36Å; D34-K40 IonicContact OD2-NZ 3.71Å; D34-K40 PolarHBondContact OD2-NZ 3.07Å; D36-K40 PolarHBondContact O-N 2.93Å; R37-K40 PolarHBondContact O-N 2.83Å; F38-K40 VanDerWaalsContact C-N 3.31Å; F38-K40 PolarHBondContact O-N 2.95Å; K40-E60 IonicContact NZ-OE1 2.69Å
41	F	98.8	Very high	98.6	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	36.3	-175.5	-65	-94.8	0	0	0	112.7	R37 F38 Y53 S54 I58 E60 L63	R37-F41 HydrophobicContact CG-CD2 3.89Å; R37-F41 HydrophobicContact CG-CE2 4.34Å; R37-F41 WeakPolarHBondContact O-CD2 3.5Å; R37-F41 PolarHBondContact O-N 3.46Å; R37-F41 VanDerWaalsContact O-N 3.08Å; F38-F41 CarbonylContact O-C 3.51Å; F38-F41 PolarHBondContact O-N 2.89Å; F41-Y53 VanDerWaalsContact C-CE2 3.46Å; F41-Y53 VanDerWaalsContact C-CZ 3.43Å; F41-Y53 HydrophobicContact CB-CD2 3.87Å; F41-Y53 HydrophobicContact CB-CE2 3.8Å; F41-Y53 HydrophobicContact CD1-CD2 4.12Å; F41-Y53 AromaticContact CD1-CE2 3.95Å; F41-Y53 HydrophobicContact CD1-CE2 3.95Å; F41-Y53 HydrophobicContact CG-CE2 4.3Å; F41-Y53 CarbonylContact O-C 3.43Å; F41-Y53 WeakPolarHBondContact O-CD1 3.24Å; F41-Y53 WeakPolarHBondContact O-CD2 3.14Å; F41-Y53 VanDerWaalsContact O-CG 3.28Å; F41-Y53 PolarHBondContact O-N 2.94Å; F41-S54 PolarHBondContact O-N 3.02Å; F41-S54 VanDerWaalsContact O-N 3.16Å; F41-I58 HydrophobicContact CD1-CD1 3.89Å; F41-I58 HydrophobicContact CD1-CG1 4.11Å; F41-I58 HydrophobicContact CE1-CD1 4.11Å; F41-I58 HydrophobicContact CE1-CG1 4Å; F41-E60 HydrophobicContact CE2-CG 4.24Å; F41-E60 HydrophobicContact CZ-CG 3.88Å; F41-L63 HydrophobicContact CD1-CD1 3.73Å; F41-L63 HydrophobicContact CE1-CD1 3.51Å; F41-L63 HydrophobicContact CE1-CG 4.12Å
42	S	98.8	Very high	98.6	Very high	16 Å²	16	54.2 Å²	54.2	11%	0.112	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.8	169.3	61.8	0	0	0	0	111	F38 V51	F38-S42 VanDerWaalsContact O-CB 3.29Å; F38-S42 WeakPolarHBondContact O-CB 3.3Å; F38-S42 PolarHBondContact O-N 3.12Å; F38-S42 PolarHBondContact O-OG 3.35Å; S42-V51 VanDerWaalsContact CA-O 3.26Å; S42-V51 WeakPolarHBondContact CA-O 3.46Å; S42-V51 WeakPolarHBondContact CB-O 3.44Å
43	A	98.5	Very high	98.7	Very high	22 Å²	22	50.3 Å²	50.3	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.5	170.7	0	0	0	0	0	110	V51 L313	A43-V51 PolarHBondContact N-O 3.01Å; A43-V51 PolarHBondContact O-N 3.37Å; A43-L313 HydrophobicContact CB-CD2 3.64Å; A43-L313 HydrophobicContact CB-CG 4.29Å
44	T	98.8	Very high	98.7	Very high	81 Å²	81	42.2 Å²	42.2	50%	0.497	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.6	176.2	-59	0	0	0	0	109.5	M49	T44-M49 CarbonylContact C-O 3.46Å; T44-M49 WeakPolarHBondContact CA-O 3.43Å
45	F	98.9	Very high	98.7	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129	171.5	170.4	-96.1	0	0	0	110.1	D47 Q48 M49 A299 M300 H303 L313 A484	F45-D47 PolarHBondContact O-N 3.45Å; F45-Q48 PolarHBondContact O-N 3.24Å; F45-M49 HydrophobicContact CB-CB 4.27Å; F45-M49 HydrophobicContact CD1-CB 4.3Å; F45-M49 HydrophobicContact CD1-CE 4.42Å; F45-M49 PolarHBondContact N-O 3.4Å; F45-M49 PolarHBondContact O-N 2.93Å; F45-A299 HydrophobicContact CZ-CB 3.77Å; F45-M300 HydrophobicContact CB-CE 4.35Å; F45-M300 HydrophobicContact CD1-CE 3.74Å; F45-M300 HydrophobicContact CD2-CE 3.64Å; F45-M300 HydrophobicContact CD2-SD 4.35Å; F45-M300 HydrophobicContact CE1-CE 3.86Å; F45-M300 HydrophobicContact CE2-CB 4.47Å; F45-M300 HydrophobicContact CE2-CE 3.76Å; F45-M300 HydrophobicContact CE2-SD 4.28Å; F45-M300 HydrophobicContact CG-CE 3.62Å; F45-M300 HydrophobicContact CZ-CB 4.22Å; F45-M300 HydrophobicContact CZ-CE 3.86Å; F45-H303 HydrophobicContact CD2-CB 4.1Å; F45-H303 HydrophobicContact CE2-CB 3.83Å; F45-L313 HydrophobicContact CB-CD1 3.7Å; F45-A484 HydrophobicContact CD1-CB 4.29Å; F45-A484 HydrophobicContact CE1-CB 3.53Å; F45-A484 HydrophobicContact CZ-CB 4.17Å
46	D	98.4	Very high	98.8	Very high	89 Å²	89	37.9 Å²	37.9	48%	0.476	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	34.5	171.1	-159.3	47.7	0	0	0	114.5	Q48 F480	D46-Q48 HydrophobicContact CB-CG 4.26Å; D46-Q48 WeakPolarHBondContact O-CG 3.47Å; D46-Q48 PolarHBondContact O-N 2.98Å; D46-Q48 PolarHBondContact OD2-NE2 3.37Å; D46-F480 VanDerWaalsContact OD2-CE1 3.29Å; D46-F480 WeakPolarHBondContact OD2-CE1 3.31Å; D46-F480 WeakPolarHBondContact OD2-CZ 3.17Å
47	D	98.7	Very high	98.8	Very high	114 Å²	114	34.7 Å²	34.7	61%	0.61	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	19	-175.5	-163.4	57.6	0	0	0	115.3	F45 R475	F45-D47 PolarHBondContact O-N 3.45Å; D47-R475 PolarHBondContact O-NE 3.08Å; D47-R475 IonicContact OD2-CZ 3.44Å; D47-R475 IonicContact OD2-NH2 3.14Å; D47-R475 PolarHBondContact OD2-NH2 2.69Å
48	Q	98.6	Very high	98.8	Very high	37 Å²	37	34.4 Å²	34.4	17%	0.173	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-8.6	-173.4	68.8	179.7	-64.8	0	0	115.2	F45 D46 L474 R475	F45-Q48 PolarHBondContact O-N 3.24Å; D46-Q48 HydrophobicContact CB-CG 4.26Å; D46-Q48 WeakPolarHBondContact O-CG 3.47Å; D46-Q48 PolarHBondContact O-N 2.98Å; D46-Q48 PolarHBondContact OD2-NE2 3.37Å; Q48-L474 CarbonylContact O-C 3.54Å; Q48-L474 WeakPolarHBondContact O-CA 3.18Å; Q48-R475 HydrophobicContact CB-CB 4.41Å; Q48-R475 HydrophobicContact CB-CG 4.22Å; Q48-R475 PolarHBondContact O-N 3.16Å
49	M	98.9	Very high	98.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	99.5	178.3	-179.4	-171.5	-54.9	0	0	110.1	T44 F45 V51 M300 I472 L474 A484 L485 L488	T44-M49 CarbonylContact C-O 3.46Å; T44-M49 WeakPolarHBondContact CA-O 3.43Å; F45-M49 HydrophobicContact CB-CB 4.27Å; F45-M49 HydrophobicContact CD1-CB 4.3Å; F45-M49 HydrophobicContact CD1-CE 4.42Å; F45-M49 PolarHBondContact N-O 3.4Å; F45-M49 PolarHBondContact O-N 2.93Å; M49-V51 HydrophobicContact CG-CG2 4.32Å; M49-M300 HydrophobicContact SD-CE 4.39Å; M49-I472 HydrophobicContact CG-CG2 3.84Å; M49-I472 HydrophobicContact SD-CG2 4.28Å; M49-L474 HydrophobicContact CB-CG 4.39Å; M49-L474 HydrophobicContact CE-CD2 3.71Å; M49-L474 HydrophobicContact CE-CG 4.48Å; M49-L474 HydrophobicContact CG-CD2 4.34Å; M49-L474 HydrophobicContact CG-CG 4.1Å; M49-A484 HydrophobicContact CE-CB 3.87Å; M49-L485 HydrophobicContact CE-CB 3.88Å; M49-L485 HydrophobicContact CE-CD1 4.29Å; M49-L485 HydrophobicContact SD-CD1 4.23Å; M49-L488 HydrophobicContact SD-CD2 4.13Å
50	L	98.9	Very high	98.8	Very high	40 Å²	40	33 Å²	33	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.4	170.3	172.2	66	0	0	0	109.1	F38 I472 L473	F38-L50 HydrophobicContact CE2-CD2 4.32Å; F38-L50 HydrophobicContact CZ-CD1 4.24Å; F38-L50 HydrophobicContact CZ-CD2 4.09Å; L50-I472 CarbonylContact O-C 3.56Å; L50-I472 VanDerWaalsContact O-CA 3.3Å; L50-I472 WeakPolarHBondContact O-CA 3.47Å; L50-L473 HydrophobicContact CB-CB 4.38Å; L50-L473 PolarHBondContact N-O 3.3Å; L50-L473 PolarHBondContact O-N 3.12Å
51	V	99	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	103.6	169.6	-176.3	0	0	0	0	107.8	S42 A43 M49 Y53 L313 L317 I472	S42-V51 VanDerWaalsContact CA-O 3.26Å; S42-V51 WeakPolarHBondContact CA-O 3.46Å; S42-V51 WeakPolarHBondContact CB-O 3.44Å; A43-V51 PolarHBondContact N-O 3.01Å; A43-V51 PolarHBondContact O-N 3.37Å; M49-V51 HydrophobicContact CG-CG2 4.32Å; V51-Y53 HydrophobicContact CG1-CD1 4.27Å; V51-L313 HydrophobicContact CB-CD1 4.45Å; V51-L313 HydrophobicContact CB-CD2 3.63Å; V51-L313 HydrophobicContact CG1-CD2 4.03Å; V51-L313 HydrophobicContact CG2-CD1 3.87Å; V51-L313 HydrophobicContact CG2-CD2 3.92Å; V51-L313 HydrophobicContact CG2-CG 4.43Å; V51-L317 HydrophobicContact CG1-CD1 4.42Å; V51-L317 HydrophobicContact CG1-CD2 4.02Å; V51-L317 HydrophobicContact CG1-CG 4.46Å; V51-I472 HydrophobicContact CG1-CG1 4.33Å; V51-I472 HydrophobicContact CG2-CG1 4.4Å; V51-I472 HydrophobicContact CG2-CG2 4.34Å
52	D	98.9	Very high	98.8	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.059	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.3	172.3	172.9	21.5	0	0	0	109.4	F38 S54 K55 N470 S471	F38-D52 HydrophobicContact CE2-CB 4.15Å; D52-S54 WeakPolarHBondContact OD1-CB 3.37Å; D52-S54 PolarHBondContact OD1-N 2.92Å; D52-S54 PolarHBondContact OD1-OG 3.32Å; D52-S54 PolarHBondContact OD2-OG 3.35Å; D52-K55 IonicContact OD2-NZ 3.68Å; D52-K55 PolarHBondContact OD2-NZ 3.21Å; D52-K55 VanDerWaalsContact OD2-NZ 3.15Å; D52-N470 CarbonylContact O-C 3.47Å; D52-N470 WeakPolarHBondContact O-CA 3.21Å; D52-S471 PolarHBondContact N-O 2.97Å; D52-S471 PolarHBondContact O-N 2.9Å
53	Y	98.9	Very high	98.8	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	18%	0.176	C	C	.	.			trans	-113.9	22	175.2	53.9	-92	0	0	0	111.6	F41 V51 N56 I58 L63 L316 I320 N470	F41-Y53 VanDerWaalsContact C-CE2 3.46Å; F41-Y53 VanDerWaalsContact C-CZ 3.43Å; F41-Y53 HydrophobicContact CB-CD2 3.87Å; F41-Y53 HydrophobicContact CB-CE2 3.8Å; F41-Y53 HydrophobicContact CD1-CD2 4.12Å; F41-Y53 AromaticContact CD1-CE2 3.95Å; F41-Y53 HydrophobicContact CD1-CE2 3.95Å; F41-Y53 HydrophobicContact CG-CE2 4.3Å; F41-Y53 CarbonylContact O-C 3.43Å; F41-Y53 WeakPolarHBondContact O-CD1 3.24Å; F41-Y53 WeakPolarHBondContact O-CD2 3.14Å; F41-Y53 VanDerWaalsContact O-CG 3.28Å; F41-Y53 PolarHBondContact O-N 2.94Å; V51-Y53 HydrophobicContact CG1-CD1 4.27Å; Y53-N56 WeakPolarHBondContact CA-ND2 3.4Å; Y53-N56 WeakPolarHBondContact O-CB 3.38Å; Y53-N56 PolarHBondContact O-ND2 2.9Å; Y53-I58 HydrophobicContact CD2-CD1 4.35Å; Y53-L63 HydrophobicContact CE2-CD1 4.17Å; Y53-L316 HydrophobicContact CE1-CD1 3.98Å; Y53-I320 HydrophobicContact CD2-CD1 3.93Å; Y53-I320 HydrophobicContact CG-CD1 3.96Å; Y53-N470 VanDerWaalsContact CB-OD1 3.28Å; Y53-N470 WeakPolarHBondContact CB-OD1 3.37Å
54	S	98.9	Very high	98.8	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.187	C	C	.	.			trans	-75.8	-28.3	-177.7	68	0	0	0	0	114.1	F31 R37 F41 D52 N56	F31-S54 WeakPolarHBondContact CE2-O 3.4Å; F31-S54 WeakPolarHBondContact CZ-OG 3.31Å; R37-S54 PolarHBondContact NE-O 3.41Å; R37-S54 PolarHBondContact NH2-O 2.89Å; F41-S54 PolarHBondContact O-N 3.02Å; F41-S54 VanDerWaalsContact O-N 3.16Å; D52-S54 WeakPolarHBondContact OD1-CB 3.37Å; D52-S54 PolarHBondContact OD1-N 2.92Å; D52-S54 PolarHBondContact OD1-OG 3.32Å; D52-S54 PolarHBondContact OD2-OG 3.35Å; S54-N56 PolarHBondContact O-N 2.83Å
55	K	98.9	Very high	98.8	Very high	32 Å²	32	33.2 Å²	33.2	14%	0.139	17%	0.172	C	C	.	.	S	Bend	trans	-81.6	37.5	176.6	-59.8	-173	-168.1	74.3	0	112.6	I27 F31 D52 A432 P468 T469	I27-K55 WeakPolarHBondContact CD1-O 3.27Å; F31-K55 HydrophobicContact CE2-CG 4.12Å; F31-K55 HydrophobicContact CZ-CG 3.98Å; D52-K55 IonicContact OD2-NZ 3.68Å; D52-K55 PolarHBondContact OD2-NZ 3.21Å; D52-K55 VanDerWaalsContact OD2-NZ 3.15Å; K55-A432 HydrophobicContact CB-CB 4.45Å; K55-A432 HydrophobicContact CD-CB 4.15Å; K55-A432 HydrophobicContact CG-CB 4.41Å; K55-P468 VanDerWaalsContact O-CA 3.32Å; K55-P468 WeakPolarHBondContact O-CA 3.17Å; K55-T469 PolarHBondContact O-N 3.19Å
56	N	99	Very high	98.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.169	C	C	.	.	S	Bend	trans	-113.3	154.4	175.5	-77.8	-64.6	0	0	0	110.8	R37 Y53 S54 I58 Y324 N470	R37-N56 PolarHBondContact NH2-O 3.26Å; Y53-N56 WeakPolarHBondContact CA-ND2 3.4Å; Y53-N56 WeakPolarHBondContact O-CB 3.38Å; Y53-N56 PolarHBondContact O-ND2 2.9Å; S54-N56 PolarHBondContact O-N 2.83Å; N56-I58 HydrophobicContact CB-CD1 3.79Å; N56-I58 HydrophobicContact CB-CG1 3.76Å; N56-I58 HydrophobicContact CB-CG2 4.32Å; N56-I58 PolarHBondContact O-N 2.88Å; N56-Y324 VanDerWaalsContact CA-OH 3.25Å; N56-Y324 WeakPolarHBondContact CA-OH 3.46Å; N56-Y324 WeakPolarHBondContact CB-OH 3.17Å; N56-Y324 VanDerWaalsContact CG-OH 3.27Å; N56-Y324 VanDerWaalsContact OD1-CE2 3.26Å; N56-Y324 WeakPolarHBondContact OD1-CE2 3.31Å; N56-Y324 PolarHBondContact OD1-OH 2.81Å; N56-N470 PolarHBondContact ND2-OD1 3.34Å
57	R	98.9	Very high	98.8	Very high	22 Å²	22	29.1 Å²	29.1	8%	0.083	15%	0.15	C	C	.	.	S	Bend	trans	-80.4	60.8	177.4	-60.5	180	69.4	177.6	1.5	110.9	M22 K23 V25 I27 W323 Y324 F328 N466	M22-R57 WeakPolarHBondContact CE-O 3.39Å; K23-R57 PolarHBondContact O-NH2 3.05Å; V25-R57 PolarHBondContact O-NE 2.95Å; V25-R57 VanDerWaalsContact O-NE 3.17Å; V25-R57 PolarHBondContact O-NH2 2.82Å; I27-R57 HydrophobicContact CD1-CG 4.09Å; I27-R57 HydrophobicContact CG1-CG 3.8Å; R57-W323 PolarHBondContact O-NE1 2.95Å; R57-Y324 HydrophobicContact CB-CE1 4.38Å; R57-Y324 PolarHBondContact N-OH 2.84Å; R57-F328 HydrophobicContact CB-CZ 4.34Å; R57-F328 VanDerWaalsContact NH1-CE1 3.33Å; R57-N466 WeakPolarHBondContact CD-OD1 3.42Å; R57-N466 PolarHBondContact NE-ND2 3.29Å; R57-N466 PolarHBondContact NE-OD1 2.62Å; R57-N466 PolarHBondContact NH2-ND2 2.66Å
58	I	98.9	Very high	98.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.			trans	-138.4	152.1	-174.4	64.5	179.7	0	0	0	111.3	R37 F41 Y53 N56 T62 L63 I320 W323	R37-I58 PolarHBondContact NH1-O 3.02Å; R37-I58 PolarHBondContact NH2-O 3.01Å; F41-I58 HydrophobicContact CD1-CD1 3.89Å; F41-I58 HydrophobicContact CD1-CG1 4.11Å; F41-I58 HydrophobicContact CE1-CD1 4.11Å; F41-I58 HydrophobicContact CE1-CG1 4Å; Y53-I58 HydrophobicContact CD2-CD1 4.35Å; N56-I58 HydrophobicContact CB-CD1 3.79Å; N56-I58 HydrophobicContact CB-CG1 3.76Å; N56-I58 HydrophobicContact CB-CG2 4.32Å; N56-I58 PolarHBondContact O-N 2.88Å; I58-T62 HydrophobicContact CB-CG2 4.08Å; I58-T62 HydrophobicContact CG2-CG2 3.89Å; I58-L63 HydrophobicContact CD1-CD2 4.05Å; I58-L63 HydrophobicContact CD1-CG 4.25Å; I58-I320 HydrophobicContact CD1-CD1 3.97Å; I58-I320 HydrophobicContact CD1-CG1 4.08Å; I58-W323 HydrophobicContact CG2-CG 4.48Å
59	T	98.8	Very high	98.9	Very high	26 Å²	26	25.8 Å²	25.8	16%	0.16	13%	0.134	C	C	.	.			trans	-120.3	174.4	171.2	61	0	0	0	0	110	M22 L30 E61 T62 L63	M22-T59 HydrophobicContact CE-CG2 4.03Å; M22-T59 HydrophobicContact SD-CG2 3.96Å; L30-T59 HydrophobicContact CD2-CG2 3.79Å; T59-E61 PolarHBondContact O-N 2.68Å; T59-E61 PolarHBondContact OG1-N 2.88Å; T59-T62 PolarHBondContact N-OG1 2.68Å; T59-T62 WeakPolarHBondContact O-CA 3.43Å; T59-T62 WeakPolarHBondContact O-CB 3.45Å; T59-T62 PolarHBondContact O-N 3.11Å; T59-T62 PolarHBondContact OG1-N 3.04Å; T59-T62 VanDerWaalsContact OG1-N 3.1Å; T59-T62 PolarHBondContact OG1-OG1 3.21Å; T59-L63 PolarHBondContact O-N 3.47Å
60	E	98.6	Very high	98.9	Very high	99 Å²	99	26 Å²	26	46%	0.463	14%	0.135	S	C	.	.	H	α-helix	trans	-59.5	-38.2	173.4	-66.8	90.5	148	0	0	110.6	K40 F41 L63 A64	K40-E60 IonicContact NZ-OE1 2.69Å; F41-E60 HydrophobicContact CE2-CG 4.24Å; F41-E60 HydrophobicContact CZ-CG 3.88Å; E60-L63 PolarHBondContact O-N 3.31Å; E60-A64 WeakPolarHBondContact O-CB 3.43Å; E60-A64 PolarHBondContact O-N 3Å
61	E	98.7	Very high	98.8	Very high	96 Å²	96	31.9 Å²	31.9	45%	0.449	16%	0.159	S	C	.	.	H	α-helix	trans	-63.3	-41.3	172.2	172.8	171.3	-156.2	0	0	111.9	H18 T59 L63 A64 K65	H18-E61 IonicContact CE1-OE2 2.8Å; H18-E61 IonicContact ND1-OE1 3.94Å; T59-E61 PolarHBondContact O-N 2.68Å; T59-E61 PolarHBondContact OG1-N 2.88Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.33Å; E61-A64 PolarHBondContact O-N 3.13Å; E61-K65 HydrophobicContact CG-CD 4.45Å; E61-K65 VanDerWaalsContact CG-CE 3.49Å; E61-K65 HydrophobicContact CG-CG 4.47Å; E61-K65 WeakPolarHBondContact O-CG 3.45Å; E61-K65 PolarHBondContact O-N 2.83Å; E61-K65 WeakPolarHBondContact OE1-CE 3.25Å; E61-K65 IonicContact OE1-NZ 3.17Å; E61-K65 PolarHBondContact OE1-NZ 3.49Å
62	T	98.9	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-47.3	177.3	-45.2	0	0	0	0	110.4	H18 I58 T59 K65 L66 W323	H18-T62 PolarHBondContact NE2-OG1 3.19Å; I58-T62 HydrophobicContact CB-CG2 4.08Å; I58-T62 HydrophobicContact CG2-CG2 3.89Å; T59-T62 PolarHBondContact N-OG1 2.68Å; T59-T62 WeakPolarHBondContact O-CA 3.43Å; T59-T62 WeakPolarHBondContact O-CB 3.45Å; T59-T62 PolarHBondContact O-N 3.11Å; T59-T62 PolarHBondContact OG1-N 3.04Å; T59-T62 VanDerWaalsContact OG1-N 3.1Å; T59-T62 PolarHBondContact OG1-OG1 3.21Å; T62-K65 PolarHBondContact O-N 2.72Å; T62-L66 HydrophobicContact CG2-CD1 4.1Å; T62-L66 WeakPolarHBondContact O-CB 3.42Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.43Å; T62-L66 PolarHBondContact O-N 3.11Å; T62-W323 HydrophobicContact CG2-CD2 4.06Å; T62-W323 HydrophobicContact CG2-CE3 4.39Å; T62-W323 HydrophobicContact CG2-CH2 4.29Å; T62-W323 HydrophobicContact CG2-CZ2 3.95Å; T62-W323 HydrophobicContact CG2-CZ3 4.5Å
63	L	98.8	Very high	98.8	Very high	22 Å²	22	35.2 Å²	35.2	12%	0.115	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-43.6	175.5	-73.8	-178	0	0	0	111.6	F41 Y53 I58 T59 E60 E61 K65 L66 Q67 L316	F41-L63 HydrophobicContact CD1-CD1 3.73Å; F41-L63 HydrophobicContact CE1-CD1 3.51Å; F41-L63 HydrophobicContact CE1-CG 4.12Å; Y53-L63 HydrophobicContact CE2-CD1 4.17Å; I58-L63 HydrophobicContact CD1-CD2 4.05Å; I58-L63 HydrophobicContact CD1-CG 4.25Å; T59-L63 PolarHBondContact O-N 3.47Å; E60-L63 PolarHBondContact O-N 3.31Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.33Å; L63-K65 PolarHBondContact O-N 3.03Å; L63-L66 HydrophobicContact CD2-CD1 4.5Å; L63-L66 PolarHBondContact O-N 3.03Å; L63-Q67 WeakPolarHBondContact O-CG 3.33Å; L63-Q67 PolarHBondContact O-N 3.23Å; L63-L316 HydrophobicContact CD2-CD2 4.27Å
64	A	98.8	Very high	98.8	Very high	50 Å²	50	37.2 Å²	37.2	41%	0.413	19%	0.185	S	C	.	.	H	α-helix	trans	-57.3	-47.8	177.7	0	0	0	0	0	112	E60 E61 L66 Q67 D68	E60-A64 WeakPolarHBondContact O-CB 3.43Å; E60-A64 PolarHBondContact O-N 3Å; E61-A64 PolarHBondContact O-N 3.13Å; A64-L66 VanDerWaalsContact C-N 3.34Å; A64-L66 PolarHBondContact O-N 2.85Å; A64-Q67 PolarHBondContact O-N 3.19Å; A64-D68 PolarHBondContact O-N 3.47Å
65	K	98.8	Very high	98.8	Very high	42 Å²	42	37.6 Å²	37.6	18%	0.183	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-36.1	178.2	-63.3	-173.1	-157.5	-57.2	0	112.8	A14 L15 H18 E61 T62 L63 D68 L69	A14-K65 HydrophobicContact CB-CD 4.3Å; L15-K65 HydrophobicContact CD2-CB 3.55Å; L15-K65 HydrophobicContact CG-CB 3.92Å; H18-K65 HydrophobicContact CB-CD 3.66Å; H18-K65 VanDerWaalsContact CG-CE 3.45Å; H18-K65 VanDerWaalsContact ND1-CE 3.33Å; H18-K65 WeakPolarHBondContact ND1-CE 3.47Å; E61-K65 HydrophobicContact CG-CD 4.45Å; E61-K65 VanDerWaalsContact CG-CE 3.49Å; E61-K65 HydrophobicContact CG-CG 4.47Å; E61-K65 WeakPolarHBondContact O-CG 3.45Å; E61-K65 PolarHBondContact O-N 2.83Å; E61-K65 WeakPolarHBondContact OE1-CE 3.25Å; E61-K65 IonicContact OE1-NZ 3.17Å; E61-K65 PolarHBondContact OE1-NZ 3.49Å; T62-K65 PolarHBondContact O-N 2.72Å; L63-K65 PolarHBondContact O-N 3.03Å; K65-D68 PolarHBondContact O-N 3.1Å; K65-L69 PolarHBondContact O-N 3.31Å; K65-L69 VanDerWaalsContact O-N 3.09Å
66	L	98.9	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-38.7	174.4	-74.3	167	0	0	0	111.6	L15 T62 L63 A64 L69 A70 L319 W323	L15-L66 HydrophobicContact CD1-CD2 4.02Å; L15-L66 HydrophobicContact CD2-CD2 3.85Å; L15-L66 HydrophobicContact CD2-CG 3.84Å; T62-L66 HydrophobicContact CG2-CD1 4.1Å; T62-L66 WeakPolarHBondContact O-CB 3.42Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.43Å; T62-L66 PolarHBondContact O-N 3.11Å; L63-L66 HydrophobicContact CD2-CD1 4.5Å; L63-L66 PolarHBondContact O-N 3.03Å; A64-L66 VanDerWaalsContact C-N 3.34Å; A64-L66 PolarHBondContact O-N 2.85Å; L66-L69 WeakPolarHBondContact O-CB 3.5Å; L66-L69 PolarHBondContact O-N 3.29Å; L66-A70 PolarHBondContact O-N 3.04Å; L66-A70 VanDerWaalsContact O-N 3.1Å; L66-L319 HydrophobicContact CB-CB 4.03Å; L66-L319 HydrophobicContact CB-CD1 3.98Å; L66-L319 HydrophobicContact CB-CD2 4.07Å; L66-L319 HydrophobicContact CB-CG 4.24Å; L66-L319 HydrophobicContact CD1-CB 4.27Å; L66-L319 VanDerWaalsContact O-CD2 3.3Å; L66-L319 WeakPolarHBondContact O-CD2 3.46Å; L66-W323 HydrophobicContact CD1-CB 4.2Å; L66-W323 HydrophobicContact CD2-CB 4.36Å
67	Q	98.8	Very high	98.8	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-38.2	174.5	-65.7	-69	4.4	0	0	111.6	L63 A64 L69 A70 K71 A309 L319	L63-Q67 WeakPolarHBondContact O-CG 3.33Å; L63-Q67 PolarHBondContact O-N 3.23Å; A64-Q67 PolarHBondContact O-N 3.19Å; Q67-L69 VanDerWaalsContact C-N 3.27Å; Q67-L69 PolarHBondContact O-N 3.07Å; Q67-A70 PolarHBondContact O-N 2.69Å; Q67-K71 WeakPolarHBondContact O-CB 3.31Å; Q67-K71 PolarHBondContact O-N 2.79Å; Q67-A309 VanDerWaalsContact NE2-C 3.29Å; Q67-A309 PolarHBondContact NE2-O 2.89Å; Q67-A309 VanDerWaalsContact OE1-CB 3.22Å; Q67-L319 HydrophobicContact CG-CD1 4.16Å
68	D	98.9	Very high	98.8	Very high	81 Å²	81	38.8 Å²	38.8	43%	0.433	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-39.8	172.2	-72.3	-29	0	0	0	111.2	A11 A64 K65 K71 E72	A11-D68 HydrophobicContact CB-CB 3.99Å; A64-D68 PolarHBondContact O-N 3.47Å; K65-D68 PolarHBondContact O-N 3.1Å; D68-K71 PolarHBondContact O-N 3.44Å; D68-E72 WeakPolarHBondContact O-CB 3.3Å; D68-E72 PolarHBondContact O-N 2.85Å
69	L	98.9	Very high	98.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-45.9	174.4	177.9	64.5	0	0	0	112	P6 T9 A11 W12 L15 K65 L66 Q67 K71 E72 C73 I322 I499	P6-L69 HydrophobicContact CB-CD1 4.31Å; T9-L69 HydrophobicContact CG2-CD1 4.45Å; T9-L69 WeakPolarHBondContact OG1-CD1 3.33Å; A11-L69 VanDerWaalsContact CB-CA 3.47Å; A11-L69 HydrophobicContact CB-CB 3.86Å; A11-L69 HydrophobicContact CB-CD1 4.36Å; W12-L69 HydrophobicContact CB-CD1 4.46Å; W12-L69 HydrophobicContact CE3-CD1 4.14Å; W12-L69 HydrophobicContact CE3-CD2 3.89Å; W12-L69 HydrophobicContact CZ3-CD2 4.2Å; L15-L69 HydrophobicContact CD1-CB 3.96Å; L15-L69 HydrophobicContact CD1-CD2 3.77Å; L15-L69 HydrophobicContact CD1-CG 4.42Å; K65-L69 PolarHBondContact O-N 3.31Å; K65-L69 VanDerWaalsContact O-N 3.09Å; L66-L69 WeakPolarHBondContact O-CB 3.5Å; L66-L69 PolarHBondContact O-N 3.29Å; Q67-L69 VanDerWaalsContact C-N 3.27Å; Q67-L69 PolarHBondContact O-N 3.07Å; L69-K71 VanDerWaalsContact C-N 3.26Å; L69-K71 PolarHBondContact O-N 2.87Å; L69-E72 PolarHBondContact O-N 2.94Å; L69-C73 WeakPolarHBondContact O-CB 3.29Å; L69-C73 PolarHBondContact O-N 3.07Å; L69-C73 PolarHBondContact O-SG 2.79Å; L69-I322 HydrophobicContact CD2-CG2 4.48Å; L69-I499 HydrophobicContact CD1-CG2 4.47Å; L69-I499 HydrophobicContact CD2-CG2 3.79Å; L69-I499 HydrophobicContact CG-CG2 3.9Å
70	A	98.8	Very high	98.8	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-38.4	175.9	0	0	0	0	0	112.1	L66 Q67 D74 L75 L319 I499	L66-A70 PolarHBondContact O-N 3.04Å; L66-A70 VanDerWaalsContact O-N 3.1Å; Q67-A70 PolarHBondContact O-N 2.69Å; A70-D74 PolarHBondContact O-N 3.36Å; A70-L75 HydrophobicContact CB-CB 4.28Å; A70-L75 HydrophobicContact CB-CD2 3.95Å; A70-L75 VanDerWaalsContact O-CB 3.31Å; A70-L75 WeakPolarHBondContact O-CB 3.17Å; A70-L75 PolarHBondContact O-N 3.28Å; A70-L319 HydrophobicContact CB-CD2 4.25Å; A70-I499 HydrophobicContact CB-CD1 4.13Å
71	K	98.8	Very high	98.8	Very high	164 Å²	164	41.4 Å²	41.4	71%	0.713	22%	0.219	S	C	*	.	H	α-helix	trans	-69.6	-47.4	177.5	-176.6	-179.5	177.5	-176.5	0	111.9	Q67 D68 L69 C73 D74	Q67-K71 WeakPolarHBondContact O-CB 3.31Å; Q67-K71 PolarHBondContact O-N 2.79Å; D68-K71 PolarHBondContact O-N 3.44Å; L69-K71 VanDerWaalsContact C-N 3.26Å; L69-K71 PolarHBondContact O-N 2.87Å; K71-C73 VanDerWaalsContact C-N 3.26Å; K71-C73 PolarHBondContact O-N 2.84Å; K71-D74 PolarHBondContact O-N 2.89Å
72	E	98.8	Very high	98.8	Very high	79 Å²	79	36.8 Å²	36.8	37%	0.369	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-36.9	176.7	-79.7	-167.1	-131.5	0	0	111.2	I4 T9 A10 A11 D68 L69 D74	I4-E72 VanDerWaalsContact CD1-O 3.25Å; I4-E72 WeakPolarHBondContact CD1-O 3.37Å; T9-E72 WeakPolarHBondContact CB-OE2 3.32Å; T9-E72 HydrophobicContact CG2-CB 4.17Å; A10-E72 PolarHBondContact N-OE2 2.82Å; A11-E72 HydrophobicContact CB-CG 4.44Å; A11-E72 WeakPolarHBondContact CB-OE1 3.19Å; A11-E72 PolarHBondContact N-OE1 2.91Å; D68-E72 WeakPolarHBondContact O-CB 3.3Å; D68-E72 PolarHBondContact O-N 2.85Å; L69-E72 PolarHBondContact O-N 2.94Å; E72-D74 PolarHBondContact O-N 3.28Å
73	C	98.9	Very high	98.8	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.02	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	2.5	174.5	-64.5	0	0	0	0	114.7	L69 K71 L75 I499	L69-C73 WeakPolarHBondContact O-CB 3.29Å; L69-C73 PolarHBondContact O-N 3.07Å; L69-C73 PolarHBondContact O-SG 2.79Å; K71-C73 VanDerWaalsContact C-N 3.26Å; K71-C73 PolarHBondContact O-N 2.84Å; C73-L75 PolarHBondContact O-N 2.94Å; C73-I499 HydrophobicContact CB-CG1 4.42Å
74	D	98.8	Very high	98.8	Very high	45 Å²	45	41.2 Å²	41.2	24%	0.241	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	45.4	178.9	-166.6	20	0	0	0	114.3	K2 I4 A70 K71 E72 A76 G77 A78	K2-D74 HydrophobicContact CB-CB 4.46Å; K2-D74 HydrophobicContact CD-CB 3.77Å; K2-D74 VanDerWaalsContact CD-OD2 3.26Å; K2-D74 WeakPolarHBondContact CD-OD2 3.44Å; K2-D74 WeakPolarHBondContact CE-OD2 3.41Å; K2-D74 HydrophobicContact CG-CB 4.31Å; K2-D74 WeakPolarHBondContact CG-OD2 3.46Å; K2-D74 IonicContact NZ-OD2 3.27Å; K2-D74 PolarHBondContact NZ-OD2 3.45Å; I4-D74 HydrophobicContact CD1-CB 4.43Å; A70-D74 PolarHBondContact O-N 3.36Å; K71-D74 PolarHBondContact O-N 2.89Å; E72-D74 PolarHBondContact O-N 3.28Å; D74-A76 VanDerWaalsContact C-N 3.31Å; D74-A76 PolarHBondContact O-N 3.23Å; D74-G77 PolarHBondContact O-N 3.16Å; D74-G77 VanDerWaalsContact O-N 3.12Å; D74-G77 PolarHBondContact OD1-N 3.15Å; D74-A78 PolarHBondContact O-N 3.49Å; D74-A78 VanDerWaalsContact O-N 3.11Å
75	L	98.8	Very high	98.8	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-55.2	-44.1	179.4	177.3	61.3	0	0	0	112.5	A70 C73 G77 A78 I79 V315 F494 T495 V498	A70-L75 HydrophobicContact CB-CB 4.28Å; A70-L75 HydrophobicContact CB-CD2 3.95Å; A70-L75 VanDerWaalsContact O-CB 3.31Å; A70-L75 WeakPolarHBondContact O-CB 3.17Å; A70-L75 PolarHBondContact O-N 3.28Å; C73-L75 PolarHBondContact O-N 2.94Å; L75-G77 VanDerWaalsContact C-N 3.28Å; L75-G77 PolarHBondContact O-N 3.28Å; L75-A78 WeakPolarHBondContact O-CB 3.44Å; L75-A78 PolarHBondContact O-N 3.48Å; L75-A78 VanDerWaalsContact O-N 3.08Å; L75-I79 HydrophobicContact CD1-CD1 4.22Å; L75-I79 HydrophobicContact CD1-CG1 4.16Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 HydrophobicContact CG-CG1 4.32Å; L75-I79 WeakPolarHBondContact O-CG1 3.2Å; L75-I79 PolarHBondContact O-N 3.35Å; L75-V315 HydrophobicContact CD2-CG1 3.91Å; L75-V315 HydrophobicContact CD2-CG2 3.87Å; L75-F494 HydrophobicContact CD1-CE1 4.28Å; L75-T495 HydrophobicContact CD1-CG2 3.9Å; L75-T495 HydrophobicContact CD2-CG2 3.59Å; L75-T495 HydrophobicContact CG-CG2 4.41Å; L75-V498 HydrophobicContact CD1-CB 4.04Å; L75-V498 HydrophobicContact CD1-CG1 3.95Å; L75-V498 HydrophobicContact CD1-CG2 4.31Å
76	A	98.7	Very high	98.7	Very high	59 Å²	59	41.1 Å²	41.1	49%	0.488	22%	0.219	S	C	.	.	H	α-helix	trans	-61.5	-36	179.3	0	0	0	0	0	112.6	D74 K80	D74-A76 VanDerWaalsContact C-N 3.31Å; D74-A76 PolarHBondContact O-N 3.23Å; A76-K80 WeakPolarHBondContact O-CG 3.36Å; A76-K80 PolarHBondContact O-N 2.84Å
77	G	98.6	Very high	98.7	Very high	19 Å²	19	44 Å²	44	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-44.6	172.1	0	0	0	0	0	111.9	D74 L75 K80 S81	D74-G77 PolarHBondContact O-N 3.16Å; D74-G77 VanDerWaalsContact O-N 3.12Å; D74-G77 PolarHBondContact OD1-N 3.15Å; L75-G77 VanDerWaalsContact C-N 3.28Å; L75-G77 PolarHBondContact O-N 3.28Å; G77-K80 PolarHBondContact O-N 3.35Å; G77-S81 PolarHBondContact O-N 3.09Å; G77-S81 PolarHBondContact O-OG 3.38Å
78	A	98.9	Very high	98.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-42	177.8	0	0	0	0	0	113.1	M1 D74 L75 K80 S81 M82 F494 V498	M1-A78 HydrophobicContact CB-CB 4.11Å; M1-A78 HydrophobicContact CE-CB 4Å; D74-A78 PolarHBondContact O-N 3.49Å; D74-A78 VanDerWaalsContact O-N 3.11Å; L75-A78 WeakPolarHBondContact O-CB 3.44Å; L75-A78 PolarHBondContact O-N 3.48Å; L75-A78 VanDerWaalsContact O-N 3.08Å; A78-K80 VanDerWaalsContact C-N 3.32Å; A78-K80 PolarHBondContact O-N 3.25Å; A78-S81 WeakPolarHBondContact O-CB 3.43Å; A78-S81 PolarHBondContact O-N 2.69Å; A78-M82 PolarHBondContact O-N 3.31Å; A78-F494 HydrophobicContact CB-CZ 3.98Å; A78-V498 HydrophobicContact CB-CB 4.32Å; A78-V498 HydrophobicContact CB-CG1 3.63Å; A78-V498 HydrophobicContact CB-CG2 3.62Å
79	I	98.8	Very high	98.7	Very high	17 Å²	17	39.9 Å²	39.9	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-56.7	-49.3	175.3	-67.7	171.3	0	0	0	109.7	L75 S81 M82 F83 F304 F494	L75-I79 HydrophobicContact CD1-CD1 4.22Å; L75-I79 HydrophobicContact CD1-CG1 4.16Å; L75-I79 HydrophobicContact CG-CD1 3.93Å; L75-I79 HydrophobicContact CG-CG1 4.32Å; L75-I79 WeakPolarHBondContact O-CG1 3.2Å; L75-I79 PolarHBondContact O-N 3.35Å; I79-S81 VanDerWaalsContact C-N 3.35Å; I79-S81 PolarHBondContact O-N 2.89Å; I79-M82 PolarHBondContact O-N 2.87Å; I79-F83 HydrophobicContact CG2-CD2 4.09Å; I79-F83 HydrophobicContact CG2-CE2 4.2Å; I79-F83 VanDerWaalsContact O-CD2 3.3Å; I79-F83 WeakPolarHBondContact O-CD2 3.36Å; I79-F83 PolarHBondContact O-N 3.24Å; I79-F83 VanDerWaalsContact O-N 3.08Å; I79-F304 HydrophobicContact CB-CE1 4.46Å; I79-F304 HydrophobicContact CD1-CE1 4.05Å; I79-F304 HydrophobicContact CD1-CE2 3.79Å; I79-F304 HydrophobicContact CD1-CZ 3.5Å; I79-F304 VanDerWaalsContact CD1-CZ 3.5Å; I79-F304 HydrophobicContact CG1-CE1 3.73Å; I79-F304 HydrophobicContact CG1-CE2 4.29Å; I79-F304 HydrophobicContact CG1-CZ 3.48Å; I79-F304 VanDerWaalsContact CG1-CZ 3.48Å; I79-F304 HydrophobicContact CG2-CD1 4.4Å; I79-F304 HydrophobicContact CG2-CE1 4.06Å; I79-F494 HydrophobicContact CB-CE1 4.48Å; I79-F494 HydrophobicContact CG1-CE1 3.69Å; I79-F494 HydrophobicContact CG1-CZ 4.49Å
80	K	98.6	Very high	98.7	Very high	153 Å²	153	46.2 Å²	46.2	67%	0.665	23%	0.234	S	C	*	.	H	α-helix	trans	-60.2	-43.5	177.6	-70.7	171.6	-175.1	178.1	0	111.9	A76 G77 A78 M82 F83 S84	A76-K80 WeakPolarHBondContact O-CG 3.36Å; A76-K80 PolarHBondContact O-N 2.84Å; G77-K80 PolarHBondContact O-N 3.35Å; A78-K80 VanDerWaalsContact C-N 3.32Å; A78-K80 PolarHBondContact O-N 3.25Å; K80-M82 VanDerWaalsContact C-N 3.33Å; K80-M82 PolarHBondContact O-N 3.39Å; K80-F83 PolarHBondContact O-N 3.32Å; K80-S84 VanDerWaalsContact O-CB 3.31Å; K80-S84 WeakPolarHBondContact O-CB 3.37Å; K80-S84 PolarHBondContact O-N 3.08Å; K80-S84 PolarHBondContact O-OG 3.03Å
81	S	98.7	Very high	98.7	Very high	10 Å²	10	48.9 Å²	48.9	7%	0.07	25%	0.25	C	C	.	.	H	α-helix	trans	-55.9	-45.1	175.9	-70.1	0	0	0	0	112.2	M1 G77 A78 I79 S84 E86	M1-S81 PolarHBondContact N-OG 2.97Å; G77-S81 PolarHBondContact O-N 3.09Å; G77-S81 PolarHBondContact O-OG 3.38Å; A78-S81 WeakPolarHBondContact O-CB 3.43Å; A78-S81 PolarHBondContact O-N 2.69Å; I79-S81 VanDerWaalsContact C-N 3.35Å; I79-S81 PolarHBondContact O-N 2.89Å; S81-S84 PolarHBondContact O-OG 3.48Å; S81-E86 WeakPolarHBondContact CB-OE2 3.43Å; S81-E86 WeakPolarHBondContact O-CB 3.38Å; S81-E86 PolarHBondContact O-N 3.19Å; S81-E86 VanDerWaalsContact OG-CD 3.3Å; S81-E86 PolarHBondContact OG-OE2 3.09Å
82	M	98.8	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-52.5	178.6	-178.6	177.3	159.8	0	0	111.5	A78 I79 K80 S84 G85 I88 V96 L97 H98 V99 F494 F505	A78-M82 PolarHBondContact O-N 3.31Å; I79-M82 PolarHBondContact O-N 2.87Å; K80-M82 VanDerWaalsContact C-N 3.33Å; K80-M82 PolarHBondContact O-N 3.39Å; M82-S84 VanDerWaalsContact C-N 3.26Å; M82-S84 PolarHBondContact O-N 3.1Å; M82-G85 PolarHBondContact O-N 2.88Å; M82-I88 HydrophobicContact CB-CD1 3.83Å; M82-I88 HydrophobicContact CG-CD1 4.07Å; M82-V96 HydrophobicContact CE-CG1 4.47Å; M82-V96 WeakPolarHBondContact CG-O 3.23Å; M82-L97 VanDerWaalsContact O-CD2 3.28Å; M82-L97 WeakPolarHBondContact O-CD2 3.1Å; M82-H98 WeakPolarHBondContact CE-CE1 3.39Å; M82-H98 WeakPolarHBondContact CE-NE2 3.5Å; M82-V99 HydrophobicContact CE-CG1 3.89Å; M82-F494 HydrophobicContact CB-CE2 4.15Å; M82-F494 HydrophobicContact CB-CZ 4.24Å; M82-F494 HydrophobicContact SD-CD2 3.67Å; M82-F494 HydrophobicContact SD-CE2 3.73Å; M82-F494 HydrophobicContact SD-CG 4.08Å; M82-F494 HydrophobicContact SD-CZ 4.24Å; M82-F505 HydrophobicContact SD-CZ 4.31Å
83	F	98.7	Very high	98.6	Very high	43 Å²	43	44.6 Å²	44.6	19%	0.189	24%	0.236	C	C	.	.	H	α-helix	trans	-69.1	-21.6	-174.8	-82.1	-111.7	0	0	0	113.6	I79 K80 V99 D301 F304	I79-F83 HydrophobicContact CG2-CD2 4.09Å; I79-F83 HydrophobicContact CG2-CE2 4.2Å; I79-F83 VanDerWaalsContact O-CD2 3.3Å; I79-F83 WeakPolarHBondContact O-CD2 3.36Å; I79-F83 PolarHBondContact O-N 3.24Å; I79-F83 VanDerWaalsContact O-N 3.08Å; K80-F83 PolarHBondContact O-N 3.32Å; F83-V99 HydrophobicContact CD1-CG2 4.38Å; F83-V99 HydrophobicContact CE1-CB 4.38Å; F83-V99 HydrophobicContact CE1-CG1 4.17Å; F83-V99 HydrophobicContact CE2-CG1 4.23Å; F83-V99 HydrophobicContact CZ-CG1 3.89Å; F83-D301 HydrophobicContact CE1-CB 3.93Å; F83-D301 HydrophobicContact CZ-CB 4.1Å; F83-F304 AromaticContact CE2-CD1 3.81Å; F83-F304 HydrophobicContact CE2-CD1 3.81Å; F83-F304 HydrophobicContact CE2-CE1 4.12Å; F83-F304 HydrophobicContact CZ-CD1 4.02Å
84	S	98.4	Very high	98.6	Very high	71 Å²	71	47.5 Å²	47.5	50%	0.497	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-5	177	68.9	0	0	0	0	114.4	K80 S81 M82	K80-S84 VanDerWaalsContact O-CB 3.31Å; K80-S84 WeakPolarHBondContact O-CB 3.37Å; K80-S84 PolarHBondContact O-N 3.08Å; K80-S84 PolarHBondContact O-OG 3.03Å; S81-S84 PolarHBondContact O-OG 3.48Å; M82-S84 VanDerWaalsContact C-N 3.26Å; M82-S84 PolarHBondContact O-N 3.1Å
85	G	98.4	Very high	98.5	Very high	8 Å²	8	45.5 Å²	45.5	8%	0.082	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	17.6	-177.8	0	0	0	0	0	114.9	M82 A95	M82-G85 PolarHBondContact O-N 2.88Å; G85-A95 WeakPolarHBondContact O-CB 3.43Å
86	E	98.6	Very high	98.5	Very high	83 Å²	83	45.3 Å²	45.3	39%	0.388	24%	0.235	S	C	.	.			trans	-58.3	143.7	170.4	-168.3	-175.3	133.7	0	0	110.2	M1 S81 I88	M1-E86 PolarHBondContact N-OE1 3.3Å; S81-E86 WeakPolarHBondContact CB-OE2 3.43Å; S81-E86 WeakPolarHBondContact O-CB 3.38Å; S81-E86 PolarHBondContact O-N 3.19Å; S81-E86 VanDerWaalsContact OG-CD 3.3Å; S81-E86 PolarHBondContact OG-OE2 3.09Å; E86-I88 HydrophobicContact CB-CG2 4.14Å; E86-I88 HydrophobicContact CG-CG2 4.34Å; E86-I88 PolarHBondContact O-N 2.97Å
87	K	98.6	Very high	98.6	Very high	59 Å²	59	42.5 Å²	42.5	26%	0.257	21%	0.212	S	C	.	.			trans	-75.2	64	179.9	-62.2	-174.2	175.6	-173.5	0	112.3	N89 N93 R94 D112	K87-N89 VanDerWaalsContact C-N 3.29Å; K87-N89 PolarHBondContact O-N 3.48Å; K87-N93 WeakPolarHBondContact CD-OD1 3.49Å; K87-R94 CarbonylContact C-O 3.52Å; K87-R94 VanDerWaalsContact C-O 3.27Å; K87-R94 WeakPolarHBondContact CA-O 3.44Å; K87-D112 WeakPolarHBondContact CE-OD1 3.33Å; K87-D112 IonicContact NZ-OD1 2.69Å; K87-D112 PolarHBondContact NZ-OD1 3.29Å; K87-D112 IonicContact NZ-OD2 3.24Å; K87-D112 PolarHBondContact NZ-OD2 2.99Å
88	I	98.8	Very high	98.6	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	20%	0.203	C	C	.	.			trans	-70.9	-21.8	-176.7	66.8	171.8	0	0	0	113.4	M1 M82 E86 R90 R94 V96 F494 F505	M1-I88 HydrophobicContact CG-CG2 4.22Å; M1-I88 HydrophobicContact SD-CB 3.83Å; M1-I88 HydrophobicContact SD-CG2 3.93Å; M82-I88 HydrophobicContact CB-CD1 3.83Å; M82-I88 HydrophobicContact CG-CD1 4.07Å; E86-I88 HydrophobicContact CB-CG2 4.14Å; E86-I88 HydrophobicContact CG-CG2 4.34Å; E86-I88 PolarHBondContact O-N 2.97Å; I88-R90 PolarHBondContact O-N 3.43Å; I88-R94 PolarHBondContact N-O 2.82Å; I88-V96 HydrophobicContact CD1-CB 4.01Å; I88-V96 HydrophobicContact CD1-CG2 4.11Å; I88-V96 HydrophobicContact CG1-CB 3.91Å; I88-V96 HydrophobicContact CG1-CG2 3.59Å; I88-F494 HydrophobicContact CD1-CE2 4.07Å; I88-F505 HydrophobicContact CD1-CD2 4.09Å; I88-F505 HydrophobicContact CD1-CE2 3.7Å; I88-F505 HydrophobicContact CG1-CD2 4.38Å; I88-F505 HydrophobicContact CG1-CE2 4.48Å
89	N	98.6	Very high	98.6	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-80.1	77.3	167	-178.8	2.6	0	0	0	108.8	K87 T91 E92 N93 R94 V96 F505	K87-N89 VanDerWaalsContact C-N 3.29Å; K87-N89 PolarHBondContact O-N 3.48Å; N89-T91 PolarHBondContact OD1-OG1 2.74Å; N89-E92 PolarHBondContact ND2-OE2 2.78Å; N89-E92 PolarHBondContact O-N 3.35Å; N89-N93 WeakPolarHBondContact O-CA 3.27Å; N89-N93 PolarHBondContact O-N 2.9Å; N89-R94 HydrophobicContact CB-CB 4.26Å; N89-R94 WeakPolarHBondContact CB-O 3.39Å; N89-R94 PolarHBondContact N-O 3.21Å; N89-R94 VanDerWaalsContact N-O 3.16Å; N89-R94 PolarHBondContact O-N 2.91Å; N89-V96 HydrophobicContact CB-CG2 3.76Å; N89-F505 HydrophobicContact CB-CB 4.17Å; N89-F505 PolarHBondContact ND2-O 3.03Å
90	R	98.7	Very high	98.6	Very high	133 Å²	133	41 Å²	41	50%	0.502	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-30.2	-170.2	-67.3	174.2	58.6	-141.8	-2.7	113.5	N3 I88 E92 N93 R363 F503	N3-R90 PolarHBondContact ND2-NH1 2.73Å; I88-R90 PolarHBondContact O-N 3.43Å; R90-E92 VanDerWaalsContact C-N 3.26Å; R90-E92 PolarHBondContact O-N 3.02Å; R90-N93 PolarHBondContact O-N 3.43Å; R90-R363 PolarHBondContact NH1-O 3.14Å; R90-F503 HydrophobicContact CB-CE1 3.71Å; R90-F503 HydrophobicContact CB-CZ 3.67Å; R90-F503 HydrophobicContact CG-CE1 3.89Å; R90-F503 HydrophobicContact CG-CZ 4.15Å
91	T	98.4	Very high	98.6	Very high	59 Å²	59	33.9 Å²	33.9	36%	0.362	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.7	-179	62.6	0	0	0	0	111.9	N89 F503 D506 W508	N89-T91 PolarHBondContact OD1-OG1 2.74Å; T91-F503 HydrophobicContact CG2-CD2 3.56Å; T91-F503 HydrophobicContact CG2-CE2 3.73Å; T91-F503 HydrophobicContact CG2-CG 4.26Å; T91-D506 WeakPolarHBondContact CB-OD2 3.44Å; T91-D506 VanDerWaalsContact CG2-OD2 3.31Å; T91-D506 WeakPolarHBondContact CG2-OD2 3.33Å; T91-D506 WeakPolarHBondContact OG1-CB 3.48Å; T91-D506 PolarHBondContact OG1-OD2 3.24Å; T91-W508 VanDerWaalsContact CB-NE1 3.35Å; T91-W508 PolarHBondContact OG1-NE1 3.47Å
92	E	97.8	Very high	98.6	Very high	47 Å²	47	33.4 Å²	33.4	22%	0.22	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-1.5	173	-59.3	-174.3	107.3	0	0	113.5	N89 R90 R94 W508	N89-E92 PolarHBondContact ND2-OE2 2.78Å; N89-E92 PolarHBondContact O-N 3.35Å; R90-E92 VanDerWaalsContact C-N 3.26Å; R90-E92 PolarHBondContact O-N 3.02Å; E92-R94 HydrophobicContact CB-CG 4.11Å; E92-R94 WeakPolarHBondContact O-CG 3.49Å; E92-R94 IonicContact OE1-CZ 2.79Å; E92-R94 IonicContact OE1-NH1 2.71Å; E92-R94 PolarHBondContact OE1-NH1 2.97Å; E92-R94 IonicContact OE1-NH2 3.66Å; E92-R94 PolarHBondContact OE1-NH2 3.06Å; E92-R94 IonicContact OE2-CZ 2.87Å; E92-R94 IonicContact OE2-NH1 3.89Å; E92-R94 PolarHBondContact OE2-NH1 3.33Å; E92-W508 HydrophobicContact CG-CZ2 3.96Å
93	N	98.1	Very high	98.6	Very high	106 Å²	106	34 Å²	34	57%	0.567	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	50.5	-174.2	-169.2	33.9	0	0	0	113.6	K87 N89 R90	K87-N93 WeakPolarHBondContact CD-OD1 3.49Å; N89-N93 WeakPolarHBondContact O-CA 3.27Å; N89-N93 PolarHBondContact O-N 2.9Å; R90-N93 PolarHBondContact O-N 3.43Å
94	R	98.1	Very high	98.6	Very high	63 Å²	63	35.7 Å²	35.7	24%	0.238	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-123.5	149.1	-176.9	-64.7	177	-173	148.7	12.3	112.7	K87 I88 N89 E92 D265	K87-R94 CarbonylContact C-O 3.52Å; K87-R94 VanDerWaalsContact C-O 3.27Å; K87-R94 WeakPolarHBondContact CA-O 3.44Å; I88-R94 PolarHBondContact N-O 2.82Å; N89-R94 HydrophobicContact CB-CB 4.26Å; N89-R94 WeakPolarHBondContact CB-O 3.39Å; N89-R94 PolarHBondContact N-O 3.21Å; N89-R94 VanDerWaalsContact N-O 3.16Å; N89-R94 PolarHBondContact O-N 2.91Å; E92-R94 HydrophobicContact CB-CG 4.11Å; E92-R94 WeakPolarHBondContact O-CG 3.49Å; E92-R94 IonicContact OE1-CZ 2.79Å; E92-R94 IonicContact OE1-NH1 2.71Å; E92-R94 PolarHBondContact OE1-NH1 2.97Å; E92-R94 IonicContact OE1-NH2 3.66Å; E92-R94 PolarHBondContact OE1-NH2 3.06Å; E92-R94 IonicContact OE2-CZ 2.87Å; E92-R94 IonicContact OE2-NH1 3.89Å; E92-R94 PolarHBondContact OE2-NH1 3.33Å; R94-D265 WeakPolarHBondContact CD-O 3.33Å; R94-D265 IonicContact NE-OD2 3.34Å
95	A	98.6	Very high	98.6	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.025	17%	0.172	C	C	.	.			trans	-67.4	166.2	162	0	0	0	0	0	110.2	G85 L97 V111 W266	G85-A95 WeakPolarHBondContact O-CB 3.43Å; A95-L97 HydrophobicContact CB-CD1 4Å; A95-L97 HydrophobicContact CB-CG 4.15Å; A95-V111 HydrophobicContact CB-CG1 4.36Å; A95-V111 HydrophobicContact CB-CG2 3.96Å; A95-W266 HydrophobicContact CB-CB 3.93Å; A95-W266 VanDerWaalsContact O-CA 3.27Å; A95-W266 WeakPolarHBondContact O-CA 3.41Å; A95-W266 WeakPolarHBondContact O-CB 3.49Å
96	V	98.8	Very high	98.6	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.036	19%	0.187	C	C	.	.			trans	-132.4	100.6	176.8	179.1	0	0	0	0	108.4	M82 I88 N89 F505	M82-V96 HydrophobicContact CE-CG1 4.47Å; M82-V96 WeakPolarHBondContact CG-O 3.23Å; I88-V96 HydrophobicContact CD1-CB 4.01Å; I88-V96 HydrophobicContact CD1-CG2 4.11Å; I88-V96 HydrophobicContact CG1-CB 3.91Å; I88-V96 HydrophobicContact CG1-CG2 3.59Å; N89-V96 HydrophobicContact CB-CG2 3.76Å; V96-F505 HydrophobicContact CB-CD2 4.17Å; V96-F505 HydrophobicContact CB-CE2 4.35Å; V96-F505 HydrophobicContact CB-CG 4.24Å; V96-F505 HydrophobicContact CG1-CB 4.42Å; V96-F505 HydrophobicContact CG1-CD1 3.48Å; V96-F505 VanDerWaalsContact CG1-CD1 3.48Å; V96-F505 HydrophobicContact CG1-CD2 3.81Å; V96-F505 HydrophobicContact CG1-CE1 3.51Å; V96-F505 HydrophobicContact CG1-CE2 3.81Å; V96-F505 HydrophobicContact CG1-CG 3.62Å; V96-F505 HydrophobicContact CG1-CZ 3.65Å; V96-F505 HydrophobicContact CG2-CB 3.75Å; V96-F505 HydrophobicContact CG2-CD1 4.34Å; V96-F505 HydrophobicContact CG2-CD2 3.61Å; V96-F505 HydrophobicContact CG2-CE2 4.26Å; V96-F505 HydrophobicContact CG2-CG 3.63Å
97	L	98.7	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.			trans	-136.5	37.6	-160.7	-75.1	179.1	0	0	0	113.9	M82 A95 V99 A100 I109 V111 W266	M82-L97 VanDerWaalsContact O-CD2 3.28Å; M82-L97 WeakPolarHBondContact O-CD2 3.1Å; A95-L97 HydrophobicContact CB-CD1 4Å; A95-L97 HydrophobicContact CB-CG 4.15Å; L97-V99 HydrophobicContact CD2-CG2 4.22Å; L97-V99 PolarHBondContact O-N 3.36Å; L97-V99 VanDerWaalsContact O-N 3.14Å; L97-A100 HydrophobicContact CB-CB 4.07Å; L97-A100 VanDerWaalsContact O-CB 3.29Å; L97-A100 WeakPolarHBondContact O-CB 3.36Å; L97-A100 PolarHBondContact O-N 2.87Å; L97-I109 HydrophobicContact CD1-CG2 3.74Å; L97-I109 HydrophobicContact CD2-CG2 3.68Å; L97-I109 HydrophobicContact CG-CG2 4.37Å; L97-V111 HydrophobicContact CD1-CG2 3.29Å; L97-W266 HydrophobicContact CB-CB 4.36Å; L97-W266 HydrophobicContact CB-CD2 3.81Å; L97-W266 HydrophobicContact CB-CE3 3.41Å; L97-W266 VanDerWaalsContact CB-CE3 3.41Å; L97-W266 HydrophobicContact CB-CG 4.25Å; L97-W266 HydrophobicContact CB-CZ3 3.91Å; L97-W266 HydrophobicContact CD1-CD2 4.44Å; L97-W266 HydrophobicContact CD1-CG 4.48Å; L97-W266 PolarHBondContact N-O 3.33Å; L97-W266 WeakPolarHBondContact O-CZ3 3.46Å
98	H	98.8	Very high	98.6	Very high	2 Å²	2	40 Å²	40	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-24.7	169.1	48.9	-89.1	0	0	0	112.5	M82 A100 L101 Y271 E490 F505	M82-H98 WeakPolarHBondContact CE-CE1 3.39Å; M82-H98 WeakPolarHBondContact CE-NE2 3.5Å; H98-A100 VanDerWaalsContact C-N 3.28Å; H98-A100 PolarHBondContact O-N 3.41Å; H98-L101 HydrophobicContact CB-CD1 4.35Å; H98-L101 WeakPolarHBondContact O-CB 3.44Å; H98-L101 PolarHBondContact O-N 3.25Å; H98-Y271 WeakPolarHBondContact CB-O 3.28Å; H98-Y271 AromaticContact CE1-CD1 3.76Å; H98-Y271 AromaticContact CE1-CG 3.97Å; H98-Y271 AromaticContact ND1-CD1 3.96Å; H98-Y271 AromaticContact ND1-CG 3.79Å; H98-Y271 AromaticContact NE2-CD1 3.86Å; H98-E490 IonicContact CD2-OE2 3.44Å; H98-F505 AromaticContact CE1-CE1 3.92Å
99	V	98.9	Very high	98.6	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-28.9	169.9	-60.1	0	0	0	0	113.4	M82 F83 L97 R102 N103	M82-V99 HydrophobicContact CE-CG1 3.89Å; F83-V99 HydrophobicContact CD1-CG2 4.38Å; F83-V99 HydrophobicContact CE1-CB 4.38Å; F83-V99 HydrophobicContact CE1-CG1 4.17Å; F83-V99 HydrophobicContact CE2-CG1 4.23Å; F83-V99 HydrophobicContact CZ-CG1 3.89Å; L97-V99 HydrophobicContact CD2-CG2 4.22Å; L97-V99 PolarHBondContact O-N 3.36Å; L97-V99 VanDerWaalsContact O-N 3.14Å; V99-R102 PolarHBondContact O-N 3.12Å; V99-N103 WeakPolarHBondContact O-CB 3.45Å; V99-N103 PolarHBondContact O-N 3.45Å; V99-N103 VanDerWaalsContact O-N 3.12Å
100	A	98.8	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-33.8	176.5	0	0	0	0	0	111.8	L97 H98 R102 N103 I109 V116 M117 W266	L97-A100 HydrophobicContact CB-CB 4.07Å; L97-A100 VanDerWaalsContact O-CB 3.29Å; L97-A100 WeakPolarHBondContact O-CB 3.36Å; L97-A100 PolarHBondContact O-N 2.87Å; H98-A100 VanDerWaalsContact C-N 3.28Å; H98-A100 PolarHBondContact O-N 3.41Å; A100-R102 PolarHBondContact O-N 2.78Å; A100-N103 WeakPolarHBondContact O-CB 3.06Å; A100-N103 PolarHBondContact O-N 3.46Å; A100-I109 HydrophobicContact CB-CD1 3.85Å; A100-V116 HydrophobicContact CB-CG2 3.83Å; A100-M117 HydrophobicContact CB-SD 4.31Å; A100-W266 HydrophobicContact CB-CH2 4.24Å; A100-W266 HydrophobicContact CB-CZ3 4.32Å
101	L	98.8	Very high	98.5	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-28.4	179.6	-57.3	173.8	0	0	0	113	H98 V120 W264 W266 V267 W274	H98-L101 HydrophobicContact CB-CD1 4.35Å; H98-L101 WeakPolarHBondContact O-CB 3.44Å; H98-L101 PolarHBondContact O-N 3.25Å; L101-V120 HydrophobicContact CD2-CG2 4.37Å; L101-W264 HydrophobicContact CD2-CE3 4.04Å; L101-W264 HydrophobicContact CD2-CZ3 3.57Å; L101-W266 HydrophobicContact CD2-CH2 3.67Å; L101-W266 HydrophobicContact CD2-CZ3 3.61Å; L101-W266 HydrophobicContact CG-CH2 4.35Å; L101-W266 HydrophobicContact CG-CZ3 3.87Å; L101-V267 HydrophobicContact CD1-CG1 3.94Å; L101-V267 HydrophobicContact CD1-CG2 4Å; L101-V267 HydrophobicContact CD2-CG2 3.99Å; L101-V267 HydrophobicContact CG-CG2 4.38Å; L101-W274 HydrophobicContact CB-CB 3.74Å; L101-W274 HydrophobicContact CD1-CB 3.86Å; L101-W274 HydrophobicContact CG-CB 4.47Å
102	R	98.8	Very high	98.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	13.8	-179.3	70.3	-147.8	-168.6	-175.4	-11.1	112.8	V99 A100 R104 W274 L294 A297 H298 D301 E490	V99-R102 PolarHBondContact O-N 3.12Å; A100-R102 PolarHBondContact O-N 2.78Å; R102-R104 VanDerWaalsContact C-N 3.34Å; R102-R104 WeakPolarHBondContact O-CD 3.01Å; R102-R104 WeakPolarHBondContact O-CG 3.14Å; R102-R104 PolarHBondContact O-N 3.17Å; R102-W274 VanDerWaalsContact NH1-NE1 3.18Å; R102-L294 HydrophobicContact CB-CB 3.94Å; R102-L294 HydrophobicContact CB-CD2 3.83Å; R102-L294 HydrophobicContact CB-CG 4.45Å; R102-A297 VanDerWaalsContact CD-CB 3.46Å; R102-A297 HydrophobicContact CG-CB 4.21Å; R102-H298 VanDerWaalsContact O-CB 3.22Å; R102-H298 WeakPolarHBondContact O-CB 3.39Å; R102-H298 PolarHBondContact O-ND1 3.16Å; R102-D301 VanDerWaalsContact CG-OD2 3.32Å; R102-D301 WeakPolarHBondContact CG-OD2 3.47Å; R102-D301 IonicContact CZ-OD1 3.76Å; R102-D301 IonicContact CZ-OD2 2.72Å; R102-D301 IonicContact NE-OD1 3.25Å; R102-D301 PolarHBondContact NE-OD1 3.44Å; R102-D301 IonicContact NE-OD2 2.83Å; R102-D301 PolarHBondContact NE-OD2 2.97Å; R102-D301 IonicContact NH2-OD1 3.83Å; R102-D301 PolarHBondContact NH2-OD1 3.12Å; R102-D301 IonicContact NH2-OD2 3.86Å; R102-E490 IonicContact CZ-OE2 3.9Å; R102-E490 IonicContact NH1-OE1 2.82Å; R102-E490 IonicContact NH1-OE2 3.01Å; R102-E490 PolarHBondContact NH1-OE2 2.98Å; R102-E490 IonicContact NH2-OE2 2.73Å; R102-E490 PolarHBondContact NH2-OE2 2.94Å
103	N	98.8	Very high	98.4	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.064	26%	0.255	C	S	.	.			trans	-71.9	83.8	-179.6	178	26.2	0	0	0	111.7	V99 A100 S105 N106 T107 M117 H298	V99-N103 WeakPolarHBondContact O-CB 3.45Å; V99-N103 PolarHBondContact O-N 3.45Å; V99-N103 VanDerWaalsContact O-N 3.12Å; A100-N103 WeakPolarHBondContact O-CB 3.06Å; A100-N103 PolarHBondContact O-N 3.46Å; N103-S105 PolarHBondContact O-N 3.02Å; N103-S105 PolarHBondContact OD1-OG 3.33Å; N103-N106 PolarHBondContact O-N 3.3Å; N103-N106 VanDerWaalsContact O-N 3.16Å; N103-T107 PolarHBondContact ND2-N 3.23Å; N103-T107 PolarHBondContact ND2-O 3.49Å; N103-M117 HydrophobicContact CB-CE 3.84Å; N103-M117 HydrophobicContact CB-SD 3.78Å; N103-M117 PolarHBondContact ND2-SD 2.92Å; N103-M117 WeakPolarHBondContact O-CE 3.44Å; N103-H298 PolarHBondContact OD1-CE1 3.49Å
104	R	98.7	Very high	98.5	Very high	79 Å²	79	44.7 Å²	44.7	30%	0.298	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.8	-175.4	-50.3	-50.6	-65.8	156.9	0	113.1	R102 N106 H298	R102-R104 VanDerWaalsContact C-N 3.34Å; R102-R104 WeakPolarHBondContact O-CD 3.01Å; R102-R104 WeakPolarHBondContact O-CG 3.14Å; R102-R104 PolarHBondContact O-N 3.17Å; R104-N106 PolarHBondContact O-N 3.21Å; R104-H298 HydrophobicContact CG-CB 3.97Å
105	S	98.3	Very high	98.5	Very high	67 Å²	67	43.7 Å²	43.7	47%	0.469	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.7	175.3	69.9	0	0	0	0	113.6	N103 T107 H298	N103-S105 PolarHBondContact O-N 3.02Å; N103-S105 PolarHBondContact OD1-OG 3.33Å; S105-T107 PolarHBondContact O-N 3.11Å; S105-T107 VanDerWaalsContact O-N 3.07Å; S105-T107 PolarHBondContact OG-N 2.76Å; S105-T107 PolarHBondContact OG-OG1 2.88Å; S105-H298 PolarHBondContact N-NE2 2.96Å
106	N	98.7	Very high	98.5	Very high	76 Å²	76	44 Å²	44	41%	0.406	25%	0.254	S	S	.	.			trans	52.8	26.8	-175.5	-65.8	-59.3	0	0	0	113.6	N103 R104 P108 M117 N121	N103-N106 PolarHBondContact O-N 3.3Å; N103-N106 VanDerWaalsContact O-N 3.16Å; R104-N106 PolarHBondContact O-N 3.21Å; N106-P108 WeakPolarHBondContact O-CD 3.4Å; N106-M117 WeakPolarHBondContact OD1-CE 3.5Å; N106-N121 PolarHBondContact OD1-ND2 3.38Å
107	T	98.5	Very high	98.5	Very high	82 Å²	82	44 Å²	44	50%	0.503	25%	0.254	S	S	.	.			trans	-59.7	127.1	171	-59.3	0	0	0	0	108.1	N103 S105 I109	N103-T107 PolarHBondContact ND2-N 3.23Å; N103-T107 PolarHBondContact ND2-O 3.49Å; S105-T107 PolarHBondContact O-N 3.11Å; S105-T107 VanDerWaalsContact O-N 3.07Å; S105-T107 PolarHBondContact OG-N 2.76Å; S105-T107 PolarHBondContact OG-OG1 2.88Å; T107-I109 PolarHBondContact O-N 2.92Å
108	P	98.7	Very high	98.5	Very high	87 Å²	87	47.8 Å²	47.8	57%	0.565	28%	0.279	S	S	*	.			trans	-56.3	133.7	-177.8	-29.5	36.6	0	0	0	112.3	N106 D115	N106-P108 WeakPolarHBondContact O-CD 3.4Å; P108-D115 WeakPolarHBondContact CA-OD1 3.41Å; P108-D115 HydrophobicContact CB-CB 4.47Å; P108-D115 WeakPolarHBondContact CB-OD2 3.46Å
109	I	98.6	Very high	98.5	Very high	16 Å²	16	51 Å²	51	8%	0.082	29%	0.294	C	S	.	.			trans	-125.4	114.5	174.5	-61.6	171.3	0	0	0	107.1	L97 A100 T107 D115 V116	L97-I109 HydrophobicContact CD1-CG2 3.74Å; L97-I109 HydrophobicContact CD2-CG2 3.68Å; L97-I109 HydrophobicContact CG-CG2 4.37Å; A100-I109 HydrophobicContact CB-CD1 3.85Å; T107-I109 PolarHBondContact O-N 2.92Å; I109-D115 PolarHBondContact N-OD1 3.29Å; I109-D115 WeakPolarHBondContact O-CA 3.48Å; I109-V116 HydrophobicContact CB-CG2 4.15Å; I109-V116 HydrophobicContact CG2-CG2 4.46Å; I109-V116 PolarHBondContact O-N 2.9Å
110	L	98.5	Very high	98.5	Very high	92 Å²	92	51.1 Å²	51.1	48%	0.482	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.3	-171.6	-52.9	-175.1	0	0	0	111.1	K114 D115	L110-K114 WeakPolarHBondContact CA-O 3.38Å; L110-D115 HydrophobicContact CD2-CB 3.77Å
111	V	97.8	Very high	98.5	Very high	20 Å²	20	53.5 Å²	53.5	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.2	164	-178.7	0	0	0	0	107.7	A95 L97 G113 K114 V116	A95-V111 HydrophobicContact CB-CG1 4.36Å; A95-V111 HydrophobicContact CB-CG2 3.96Å; L97-V111 HydrophobicContact CD1-CG2 3.29Å; V111-G113 PolarHBondContact O-N 2.81Å; V111-G113 VanDerWaalsContact O-N 3.1Å; V111-K114 PolarHBondContact N-O 3.07Å; V111-K114 PolarHBondContact O-N 3.43Å; V111-V116 HydrophobicContact CB-CG1 4.09Å; V111-V116 HydrophobicContact CG2-CG1 3.81Å
112	D	97	Very high	98.5	Very high	132 Å²	132	56.3 Å²	56.3	71%	0.706	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	38.3	-178.1	-62.5	-38.7	0	0	0	113	K87 K114	K87-D112 WeakPolarHBondContact CE-OD1 3.33Å; K87-D112 IonicContact NZ-OD1 2.69Å; K87-D112 PolarHBondContact NZ-OD1 3.29Å; K87-D112 IonicContact NZ-OD2 3.24Å; K87-D112 PolarHBondContact NZ-OD2 2.99Å; D112-K114 VanDerWaalsContact C-N 3.33Å; D112-K114 PolarHBondContact O-N 3Å
113	G	97.1	Very high	98.4	Very high	72 Å²	72	57.2 Å²	57.2	74%	0.742	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	1.7	177.8	0	0	0	0	0	115.6	V111	V111-G113 PolarHBondContact O-N 2.81Å; V111-G113 VanDerWaalsContact O-N 3.1Å
114	K	98.5	Very high	98.4	Very high	123 Å²	123	57.1 Å²	57.1	54%	0.535	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.4	-178.6	-175.4	177.3	173.4	-173.5	0	111.2	L110 V111 D112 V116 E119	L110-K114 WeakPolarHBondContact CA-O 3.38Å; V111-K114 PolarHBondContact N-O 3.07Å; V111-K114 PolarHBondContact O-N 3.43Å; D112-K114 VanDerWaalsContact C-N 3.33Å; D112-K114 PolarHBondContact O-N 3Å; K114-V116 PolarHBondContact O-N 3.05Å; K114-E119 WeakPolarHBondContact CE-OE1 3.2Å; K114-E119 IonicContact NZ-OE1 3.15Å; K114-E119 PolarHBondContact NZ-OE1 3.5Å
115	D	98.7	Very high	98.4	Very high	42 Å²	42	58.2 Å²	58.2	23%	0.225	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.2	172.8	-173.9	10.5	0	0	0	110.3	P108 I109 L110 M117 P118	P108-D115 WeakPolarHBondContact CA-OD1 3.41Å; P108-D115 HydrophobicContact CB-CB 4.47Å; P108-D115 WeakPolarHBondContact CB-OD2 3.46Å; I109-D115 PolarHBondContact N-OD1 3.29Å; I109-D115 WeakPolarHBondContact O-CA 3.48Å; L110-D115 HydrophobicContact CD2-CB 3.77Å; D115-M117 PolarHBondContact OD1-N 3.28Å; D115-M117 VanDerWaalsContact OD1-N 3.12Å; D115-P118 WeakPolarHBondContact O-CD 3.3Å
116	V	98.7	Very high	98.5	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.067	34%	0.336	C	S	.	.	S	Bend	trans	-83.2	-20.4	-178.9	-56.7	0	0	0	0	112.7	A100 I109 V111 K114 E119 V120 W266	A100-V116 HydrophobicContact CB-CG2 3.83Å; I109-V116 HydrophobicContact CB-CG2 4.15Å; I109-V116 HydrophobicContact CG2-CG2 4.46Å; I109-V116 PolarHBondContact O-N 2.9Å; V111-V116 HydrophobicContact CB-CG1 4.09Å; V111-V116 HydrophobicContact CG2-CG1 3.81Å; K114-V116 PolarHBondContact O-N 3.05Å; V116-E119 PolarHBondContact O-N 3.04Å; V116-V120 WeakPolarHBondContact O-CG2 3.34Å; V116-V120 PolarHBondContact O-N 3.3Å; V116-V120 VanDerWaalsContact O-N 3.11Å; V116-W266 HydrophobicContact CB-CZ2 3.96Å; V116-W266 HydrophobicContact CG1-CZ2 4.19Å; V116-W266 HydrophobicContact CG2-CZ2 4.25Å
117	M	98.8	Very high	98.5	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-39.2	-173	-67.2	-49.7	-50.1	0	0	114.8	A100 N103 N106 D115 E119 V120 N121	A100-M117 HydrophobicContact CB-SD 4.31Å; N103-M117 HydrophobicContact CB-CE 3.84Å; N103-M117 HydrophobicContact CB-SD 3.78Å; N103-M117 PolarHBondContact ND2-SD 2.92Å; N103-M117 WeakPolarHBondContact O-CE 3.44Å; N106-M117 WeakPolarHBondContact OD1-CE 3.5Å; D115-M117 PolarHBondContact OD1-N 3.28Å; D115-M117 VanDerWaalsContact OD1-N 3.12Å; M117-E119 VanDerWaalsContact C-N 3.32Å; M117-E119 PolarHBondContact O-N 3.09Å; M117-V120 HydrophobicContact CE-CB 4.37Å; M117-V120 HydrophobicContact CE-CG1 4.25Å; M117-V120 PolarHBondContact O-N 2.87Å; M117-N121 WeakPolarHBondContact O-CB 3.37Å; M117-N121 PolarHBondContact O-N 2.86Å; M117-N121 PolarHBondContact O-ND2 3.39Å; M117-N121 VanDerWaalsContact O-ND2 3.14Å
118	P	98.8	Very high	98.5	Very high	80 Å²	80	53.7 Å²	53.7	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-42	176	-27.2	36.5	0	0	0	113.3	D115 A122	D115-P118 WeakPolarHBondContact O-CD 3.3Å; P118-A122 WeakPolarHBondContact O-CB 3.39Å; P118-A122 PolarHBondContact O-N 2.88Å
119	E	98.4	Very high	98.5	Very high	69 Å²	69	53.2 Å²	53.2	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-73.8	-38.2	-179.8	-59	-175	-173	0	0	111.7	K114 V116 M117 N121 A122 V123 W264	K114-E119 WeakPolarHBondContact CE-OE1 3.2Å; K114-E119 IonicContact NZ-OE1 3.15Å; K114-E119 PolarHBondContact NZ-OE1 3.5Å; V116-E119 PolarHBondContact O-N 3.04Å; M117-E119 VanDerWaalsContact C-N 3.32Å; M117-E119 PolarHBondContact O-N 3.09Å; E119-N121 PolarHBondContact O-N 3.49Å; E119-A122 PolarHBondContact O-N 3.5Å; E119-V123 PolarHBondContact O-N 2.79Å; E119-V123 VanDerWaalsContact O-N 3.11Å; E119-W264 HydrophobicContact CB-CZ2 3.54Å; E119-W264 PolarHBondContact OE2-NE1 3.19Å
120	V	98.7	Very high	98.5	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-54.3	-52.3	171.4	172.2	0	0	0	0	110.9	L101 V116 M117 A122 V123 L124 W264 W266	L101-V120 HydrophobicContact CD2-CG2 4.37Å; V116-V120 WeakPolarHBondContact O-CG2 3.34Å; V116-V120 PolarHBondContact O-N 3.3Å; V116-V120 VanDerWaalsContact O-N 3.11Å; M117-V120 HydrophobicContact CE-CB 4.37Å; M117-V120 HydrophobicContact CE-CG1 4.25Å; M117-V120 PolarHBondContact O-N 2.87Å; V120-A122 PolarHBondContact O-N 3.01Å; V120-V123 PolarHBondContact O-N 3.12Å; V120-L124 HydrophobicContact CG1-CD1 4.32Å; V120-L124 WeakPolarHBondContact O-CG 3.34Å; V120-L124 PolarHBondContact O-N 3.43Å; V120-L124 VanDerWaalsContact O-N 3.07Å; V120-W264 VanDerWaalsContact CA-CH2 3.49Å; V120-W264 HydrophobicContact CB-CH2 4.2Å; V120-W264 HydrophobicContact CG2-CE3 4.44Å; V120-W264 HydrophobicContact CG2-CH2 3.73Å; V120-W264 HydrophobicContact CG2-CZ2 4.37Å; V120-W264 HydrophobicContact CG2-CZ3 3.72Å; V120-W266 HydrophobicContact CG2-CH2 3.86Å; V120-W266 HydrophobicContact CG2-CZ2 4.35Å
121	N	98.8	Very high	98.5	Very high	51 Å²	51	48.9 Å²	48.9	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-68.8	-34.1	-178	-70.9	-39.3	0	0	0	112.8	N106 M117 E119 V123 L124 E125	N106-N121 PolarHBondContact OD1-ND2 3.38Å; M117-N121 WeakPolarHBondContact O-CB 3.37Å; M117-N121 PolarHBondContact O-N 2.86Å; M117-N121 PolarHBondContact O-ND2 3.39Å; M117-N121 VanDerWaalsContact O-ND2 3.14Å; E119-N121 PolarHBondContact O-N 3.49Å; N121-V123 VanDerWaalsContact C-N 3.33Å; N121-V123 PolarHBondContact O-N 3.04Å; N121-L124 PolarHBondContact O-N 2.86Å; N121-E125 WeakPolarHBondContact O-CB 3.4Å; N121-E125 PolarHBondContact O-N 3.22Å
122	A	98.7	Very high	98.6	Very high	62 Å²	62	52.5 Å²	52.5	51%	0.512	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-40.9	175.5	0	0	0	0	0	111.9	P118 E119 V120 K126	P118-A122 WeakPolarHBondContact O-CB 3.39Å; P118-A122 PolarHBondContact O-N 2.88Å; E119-A122 PolarHBondContact O-N 3.5Å; V120-A122 PolarHBondContact O-N 3.01Å; A122-K126 WeakPolarHBondContact O-CB 3.46Å; A122-K126 PolarHBondContact O-N 3.23Å
123	V	98.7	Very high	98.7	Very high	19 Å²	19	47 Å²	47	12%	0.115	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-42.4	174.7	174.8	0	0	0	0	111.1	E119 V120 N121 E125 K126 M127 W264 A276	E119-V123 PolarHBondContact O-N 2.79Å; E119-V123 VanDerWaalsContact O-N 3.11Å; V120-V123 PolarHBondContact O-N 3.12Å; N121-V123 VanDerWaalsContact C-N 3.33Å; N121-V123 PolarHBondContact O-N 3.04Å; V123-E125 VanDerWaalsContact C-N 3.35Å; V123-E125 PolarHBondContact O-N 3.46Å; V123-K126 WeakPolarHBondContact O-CB 3.29Å; V123-K126 PolarHBondContact O-N 2.77Å; V123-M127 HydrophobicContact CG1-CG 4.28Å; V123-M127 HydrophobicContact CG1-SD 3.98Å; V123-M127 VanDerWaalsContact O-CG 3.25Å; V123-M127 WeakPolarHBondContact O-CG 3.39Å; V123-M127 PolarHBondContact O-N 3.3Å; V123-W264 HydrophobicContact CG2-CH2 4.14Å; V123-W264 HydrophobicContact CG2-CZ2 4.31Å; V123-A276 HydrophobicContact CG1-CB 4.05Å
124	L	98.8	Very high	98.7	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-44.5	175.8	-71.7	177	0	0	0	112.1	V120 N121 K126 M127 K128 F287 F290 L294	V120-L124 HydrophobicContact CG1-CD1 4.32Å; V120-L124 WeakPolarHBondContact O-CG 3.34Å; V120-L124 PolarHBondContact O-N 3.43Å; V120-L124 VanDerWaalsContact O-N 3.07Å; N121-L124 PolarHBondContact O-N 2.86Å; L124-K126 VanDerWaalsContact C-N 3.33Å; L124-K126 PolarHBondContact O-N 2.78Å; L124-M127 HydrophobicContact CD2-SD 4.33Å; L124-M127 PolarHBondContact O-N 3.19Å; L124-K128 PolarHBondContact O-N 2.94Å; L124-F287 HydrophobicContact CB-CE2 4.38Å; L124-F287 HydrophobicContact CB-CZ 4.23Å; L124-F287 WeakPolarHBondContact O-CE2 3.35Å; L124-F290 HydrophobicContact CD2-CE1 3.93Å; L124-L294 HydrophobicContact CD1-CD1 4.14Å; L124-L294 HydrophobicContact CD2-CD1 3.97Å
125	E	98.8	Very high	98.8	Very high	101 Å²	101	39.7 Å²	39.7	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-64.4	-39	177.4	-175.8	58.6	-160.6	0	0	112	N121 V123 K128 T129	N121-E125 WeakPolarHBondContact O-CB 3.4Å; N121-E125 PolarHBondContact O-N 3.22Å; V123-E125 VanDerWaalsContact C-N 3.35Å; V123-E125 PolarHBondContact O-N 3.46Å; E125-K128 WeakPolarHBondContact O-CB 3.4Å; E125-K128 PolarHBondContact O-N 3.34Å; E125-T129 PolarHBondContact O-N 2.94Å; E125-T129 PolarHBondContact O-OG1 2.8Å
126	K	98.7	Very high	98.8	Very high	71 Å²	71	41.7 Å²	41.7	31%	0.309	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-45.4	174.1	-166.8	-177.1	179.6	172.2	0	111.5	A122 V123 L124 K128 F130 A258 M260 F261	A122-K126 WeakPolarHBondContact O-CB 3.46Å; A122-K126 PolarHBondContact O-N 3.23Å; V123-K126 WeakPolarHBondContact O-CB 3.29Å; V123-K126 PolarHBondContact O-N 2.77Å; L124-K126 VanDerWaalsContact C-N 3.33Å; L124-K126 PolarHBondContact O-N 2.78Å; K126-K128 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.23Å; K126-F130 WeakPolarHBondContact O-CB 3.08Å; K126-F130 PolarHBondContact O-N 2.88Å; K126-A258 WeakPolarHBondContact CE-O 3.31Å; K126-A258 PolarHBondContact NZ-O 3.03Å; K126-M260 PolarHBondContact NZ-O 3.21Å; K126-F261 HydrophobicContact CB-CD1 4.45Å; K126-F261 HydrophobicContact CB-CE1 4.24Å; K126-F261 HydrophobicContact CD-CD1 4.06Å; K126-F261 HydrophobicContact CD-CE1 4.04Å; K126-F261 HydrophobicContact CG-CD1 4.11Å; K126-F261 HydrophobicContact CG-CE1 3.69Å
127	M	98.9	Very high	98.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-42.9	176	-68.1	168.2	75.8	0	0	111	V123 L124 S131 F261 L279 V282 F290	V123-M127 HydrophobicContact CG1-CG 4.28Å; V123-M127 HydrophobicContact CG1-SD 3.98Å; V123-M127 VanDerWaalsContact O-CG 3.25Å; V123-M127 WeakPolarHBondContact O-CG 3.39Å; V123-M127 PolarHBondContact O-N 3.3Å; L124-M127 HydrophobicContact CD2-SD 4.33Å; L124-M127 PolarHBondContact O-N 3.19Å; M127-S131 WeakPolarHBondContact O-CB 3.18Å; M127-S131 PolarHBondContact O-N 3.02Å; M127-S131 PolarHBondContact O-OG 3.29Å; M127-S131 VanDerWaalsContact O-OG 3.09Å; M127-F261 HydrophobicContact CG-CD1 3.67Å; M127-F261 HydrophobicContact CG-CE1 4.1Å; M127-L279 HydrophobicContact CB-CD1 4.03Å; M127-L279 HydrophobicContact CE-CB 4.01Å; M127-L279 HydrophobicContact CE-CD1 4.28Å; M127-L279 HydrophobicContact CG-CD1 4.08Å; M127-V282 HydrophobicContact CE-CG2 3.76Å; M127-F290 HydrophobicContact CE-CE1 4.3Å; M127-F290 HydrophobicContact CE-CZ 4.44Å
128	K	98.8	Very high	98.7	Very high	59 Å²	59	48.4 Å²	48.4	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-55.4	-60.4	176	-177.8	-175.3	176.8	-174.6	0	111	L124 E125 K126 F130 S131 E132 F287	L124-K128 PolarHBondContact O-N 2.94Å; E125-K128 WeakPolarHBondContact O-CB 3.4Å; E125-K128 PolarHBondContact O-N 3.34Å; K126-K128 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.23Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 2.88Å; K128-S131 PolarHBondContact O-N 3.2Å; K128-S131 VanDerWaalsContact O-N 3.11Å; K128-S131 PolarHBondContact O-OG 3.05Å; K128-E132 WeakPolarHBondContact CE-OE1 3.44Å; K128-E132 WeakPolarHBondContact O-CG 3.34Å; K128-E132 PolarHBondContact O-N 3.35Å; K128-F287 HydrophobicContact CB-CB 4.41Å; K128-F287 HydrophobicContact CB-CD1 3.88Å; K128-F287 HydrophobicContact CB-CD2 3.61Å; K128-F287 HydrophobicContact CB-CE1 3.96Å; K128-F287 HydrophobicContact CB-CE2 3.71Å; K128-F287 HydrophobicContact CB-CG 3.69Å; K128-F287 HydrophobicContact CB-CZ 3.87Å; K128-F287 HydrophobicContact CD-CD1 3.74Å; K128-F287 HydrophobicContact CD-CE1 3.81Å; K128-F287 HydrophobicContact CD-CG 4.32Å; K128-F287 HydrophobicContact CD-CZ 4.45Å; K128-F287 HydrophobicContact CG-CB 4.09Å; K128-F287 HydrophobicContact CG-CD1 3.62Å; K128-F287 HydrophobicContact CG-CD2 4.15Å; K128-F287 HydrophobicContact CG-CE1 4.01Å; K128-F287 HydrophobicContact CG-CG 3.68Å; K128-F287 HydrophobicContact CG-CZ 4.44Å
129	T	98.7	Very high	98.7	Very high	78 Å²	78	47.5 Å²	47.5	48%	0.479	25%	0.252	S	S	.	.	H	α-helix	trans	-58.9	-44.9	-175.8	-56.7	0	0	0	0	111.3	E125 E132 A133	E125-T129 PolarHBondContact O-N 2.94Å; E125-T129 PolarHBondContact O-OG1 2.8Å; T129-E132 PolarHBondContact O-N 3.14Å; T129-A133 PolarHBondContact O-N 3.01Å; T129-A133 VanDerWaalsContact O-N 3.1Å
130	F	98.8	Very high	98.8	Very high	15 Å²	15	48.6 Å²	48.6	7%	0.066	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-45.1	177.2	179.6	-96.8	0	0	0	112	K126 K128 E132 A133 I134 W139 L202 A241 F261 L279	K126-F130 WeakPolarHBondContact O-CB 3.08Å; K126-F130 PolarHBondContact O-N 2.88Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 2.88Å; F130-E132 PolarHBondContact O-N 3.13Å; F130-A133 PolarHBondContact O-N 3.46Å; F130-I134 HydrophobicContact CD1-CG1 4.21Å; F130-I134 HydrophobicContact CE1-CD1 4.41Å; F130-I134 HydrophobicContact CE1-CG1 3.81Å; F130-I134 HydrophobicContact CE2-CD1 4.46Å; F130-I134 HydrophobicContact CE2-CG1 4.37Å; F130-I134 HydrophobicContact CZ-CD1 4.04Å; F130-I134 HydrophobicContact CZ-CG1 3.9Å; F130-I134 WeakPolarHBondContact O-CG1 3.36Å; F130-I134 PolarHBondContact O-N 3.24Å; F130-W139 HydrophobicContact CE2-CH2 4.43Å; F130-W139 HydrophobicContact CE2-CZ3 4.37Å; F130-L202 HydrophobicContact CE1-CD2 3.92Å; F130-L202 HydrophobicContact CZ-CD1 4.36Å; F130-L202 HydrophobicContact CZ-CD2 3.88Å; F130-A241 HydrophobicContact CZ-CB 4.18Å; F130-F261 HydrophobicContact CB-CE1 4.07Å; F130-F261 HydrophobicContact CB-CZ 3.66Å; F130-F261 HydrophobicContact CD1-CE2 4.33Å; F130-F261 AromaticContact CD1-CZ 3.82Å; F130-F261 HydrophobicContact CD1-CZ 3.82Å; F130-F261 AromaticContact CD2-CZ 3.97Å; F130-F261 HydrophobicContact CD2-CZ 3.97Å; F130-F261 HydrophobicContact CE1-CZ 4.46Å; F130-F261 HydrophobicContact CG-CE1 4.4Å; F130-F261 HydrophobicContact CG-CE2 4.31Å; F130-F261 AromaticContact CG-CZ 3.54Å; F130-F261 HydrophobicContact CG-CZ 3.54Å; F130-L279 HydrophobicContact CD1-CD1 4.21Å; F130-L279 HydrophobicContact CD1-CD2 4.1Å; F130-L279 HydrophobicContact CE1-CD2 4.08Å
131	S	98.9	Very high	98.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-39.4	-180	71.2	0	0	0	0	112.6	M127 K128 A133 I134 I135 V282	M127-S131 WeakPolarHBondContact O-CB 3.18Å; M127-S131 PolarHBondContact O-N 3.02Å; M127-S131 PolarHBondContact O-OG 3.29Å; M127-S131 VanDerWaalsContact O-OG 3.09Å; K128-S131 PolarHBondContact O-N 3.2Å; K128-S131 VanDerWaalsContact O-N 3.11Å; K128-S131 PolarHBondContact O-OG 3.05Å; S131-A133 VanDerWaalsContact C-N 3.35Å; S131-A133 PolarHBondContact O-N 2.8Å; S131-I134 PolarHBondContact O-N 3.14Å; S131-I135 WeakPolarHBondContact O-CB 3.34Å; S131-I135 WeakPolarHBondContact O-CD1 3.36Å; S131-I135 WeakPolarHBondContact O-CG1 3.36Å; S131-I135 PolarHBondContact O-N 2.97Å; S131-V282 VanDerWaalsContact CB-CG1 3.43Å; S131-V282 VanDerWaalsContact OG-CG1 3.3Å; S131-V282 WeakPolarHBondContact OG-CG1 3.32Å
132	E	98.8	Very high	98.7	Very high	97 Å²	97	48.4 Å²	48.4	45%	0.453	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-41.9	175.8	-72.2	172.2	168.6	0	0	111.1	K128 T129 F130 I134 S136	K128-E132 WeakPolarHBondContact CE-OE1 3.44Å; K128-E132 WeakPolarHBondContact O-CG 3.34Å; K128-E132 PolarHBondContact O-N 3.35Å; T129-E132 PolarHBondContact O-N 3.14Å; F130-E132 PolarHBondContact O-N 3.13Å; E132-I134 PolarHBondContact O-N 3.05Å; E132-S136 WeakPolarHBondContact O-CB 3.4Å; E132-S136 PolarHBondContact O-N 3.29Å; E132-S136 PolarHBondContact O-OG 3.4Å
133	A	98.8	Very high	98.7	Very high	17 Å²	17	48.4 Å²	48.4	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-40.1	176.1	0	0	0	0	0	112.4	T129 F130 S131 S136 G137 E138 W139	T129-A133 PolarHBondContact O-N 3.01Å; T129-A133 VanDerWaalsContact O-N 3.1Å; F130-A133 PolarHBondContact O-N 3.46Å; S131-A133 VanDerWaalsContact C-N 3.35Å; S131-A133 PolarHBondContact O-N 2.8Å; A133-S136 PolarHBondContact O-OG 3.49Å; A133-G137 PolarHBondContact O-N 3.25Å; A133-E138 PolarHBondContact O-N 2.85Å; A133-E138 VanDerWaalsContact O-N 3.07Å; A133-W139 HydrophobicContact CB-CB 4.34Å; A133-W139 PolarHBondContact O-N 3.31Å
134	I	98.8	Very high	98.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70	-51	177.2	-63.7	-72.7	0	0	0	111.1	F130 S131 E132 G137 W139 I147 L176 L202 L283	F130-I134 HydrophobicContact CD1-CG1 4.21Å; F130-I134 HydrophobicContact CE1-CD1 4.41Å; F130-I134 HydrophobicContact CE1-CG1 3.81Å; F130-I134 HydrophobicContact CE2-CD1 4.46Å; F130-I134 HydrophobicContact CE2-CG1 4.37Å; F130-I134 HydrophobicContact CZ-CD1 4.04Å; F130-I134 HydrophobicContact CZ-CG1 3.9Å; F130-I134 WeakPolarHBondContact O-CG1 3.36Å; F130-I134 PolarHBondContact O-N 3.24Å; S131-I134 PolarHBondContact O-N 3.14Å; E132-I134 PolarHBondContact O-N 3.05Å; I134-G137 PolarHBondContact O-N 2.94Å; I134-G137 VanDerWaalsContact O-N 3.1Å; I134-W139 HydrophobicContact CD1-CB 3.68Å; I134-W139 VanDerWaalsContact CD1-CD1 3.44Å; I134-W139 HydrophobicContact CD1-CD2 4.02Å; I134-W139 HydrophobicContact CD1-CG 3.42Å; I134-W139 VanDerWaalsContact CD1-CG 3.42Å; I134-W139 HydrophobicContact CG1-CB 4.37Å; I134-W139 HydrophobicContact CG1-CG 4.48Å; I134-I147 HydrophobicContact CD1-CG1 4.03Å; I134-I147 HydrophobicContact CG2-CB 4.15Å; I134-I147 HydrophobicContact CG2-CG1 4.49Å; I134-I147 HydrophobicContact CG2-CG2 4.21Å; I134-L176 HydrophobicContact CG2-CD1 4.06Å; I134-L202 HydrophobicContact CD1-CD2 3.83Å; I134-L202 HydrophobicContact CG1-CD2 4.14Å; I134-L202 HydrophobicContact CG2-CD2 4.43Å; I134-L283 HydrophobicContact CB-CD2 3.72Å; I134-L283 HydrophobicContact CG1-CD2 4.13Å; I134-L283 HydrophobicContact CG2-CD2 3.72Å
135	I	98.8	Very high	98.7	Very high	40 Å²	40	53.6 Å²	53.6	21%	0.205	28%	0.278	C	S	.	.	H	α-helix	trans	-69.2	-36.7	-174.4	-63.9	163.7	0	0	0	111.6	S131 G137 N174 H175 L176	S131-I135 WeakPolarHBondContact O-CB 3.34Å; S131-I135 WeakPolarHBondContact O-CD1 3.36Å; S131-I135 WeakPolarHBondContact O-CG1 3.36Å; S131-I135 PolarHBondContact O-N 2.97Å; I135-G137 PolarHBondContact O-N 3.42Å; I135-N174 WeakPolarHBondContact CD1-ND2 3.44Å; I135-N174 HydrophobicContact CG2-CB 4.49Å; I135-H175 PolarHBondContact O-CE1 3.2Å; I135-L176 HydrophobicContact CG1-CD1 3.94Å
136	S	98.7	Very high	98.7	Very high	84 Å²	84	50.5 Å²	50.5	59%	0.587	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.1	174.5	63.6	0	0	0	0	112.8	E132 A133 E138	E132-S136 WeakPolarHBondContact O-CB 3.4Å; E132-S136 PolarHBondContact O-N 3.29Å; E132-S136 PolarHBondContact O-OG 3.4Å; A133-S136 PolarHBondContact O-OG 3.49Å; S136-E138 VanDerWaalsContact C-N 3.27Å; S136-E138 WeakPolarHBondContact OG-CB 3.3Å; S136-E138 PolarHBondContact OG-N 3.32Å
137	G	98.6	Very high	98.7	Very high	8 Å²	8	47.2 Å²	47.2	8%	0.082	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	11.8	-171.4	0	0	0	0	0	113.6	A133 I134 I135 W139 K140	A133-G137 PolarHBondContact O-N 3.25Å; I134-G137 PolarHBondContact O-N 2.94Å; I134-G137 VanDerWaalsContact O-N 3.1Å; I135-G137 PolarHBondContact O-N 3.42Å; G137-W139 VanDerWaalsContact C-N 3.32Å; G137-K140 WeakPolarHBondContact O-CD 2.75Å; G137-K140 WeakPolarHBondContact O-CE 3.32Å; G137-K140 PolarHBondContact O-NZ 3.46Å
138	E	98.7	Very high	98.7	Very high	150 Å²	150	49.8 Å²	49.8	70%	0.701	27%	0.271	S	S	*	.			trans	-58.9	-46.7	170.6	-178	-177	154.3	0	0	110.6	A133 S136 K140	A133-E138 PolarHBondContact O-N 2.85Å; A133-E138 VanDerWaalsContact O-N 3.07Å; S136-E138 VanDerWaalsContact C-N 3.27Å; S136-E138 WeakPolarHBondContact OG-CB 3.3Å; S136-E138 PolarHBondContact OG-N 3.32Å; E138-K140 WeakPolarHBondContact O-CG 3.3Å; E138-K140 PolarHBondContact O-N 3.21Å
139	W	98.7	Very high	98.7	Very high	60 Å²	60	47.7 Å²	47.7	23%	0.227	26%	0.263	C	S	.	.	S	Bend	trans	-65.4	121.1	173.3	-174.4	-81.3	0	0	0	110.1	F130 A133 I134 G137 K238 N259	F130-W139 HydrophobicContact CE2-CH2 4.43Å; F130-W139 HydrophobicContact CE2-CZ3 4.37Å; A133-W139 HydrophobicContact CB-CB 4.34Å; A133-W139 PolarHBondContact O-N 3.31Å; I134-W139 HydrophobicContact CD1-CB 3.68Å; I134-W139 VanDerWaalsContact CD1-CD1 3.44Å; I134-W139 HydrophobicContact CD1-CD2 4.02Å; I134-W139 HydrophobicContact CD1-CG 3.42Å; I134-W139 VanDerWaalsContact CD1-CG 3.42Å; I134-W139 HydrophobicContact CG1-CB 4.37Å; I134-W139 HydrophobicContact CG1-CG 4.48Å; G137-W139 VanDerWaalsContact C-N 3.32Å; W139-K238 PolarHBondContact NE1-O 3.37Å; W139-N259 WeakPolarHBondContact CH2-ND2 3.37Å
140	K	98.7	Very high	98.8	Very high	93 Å²	93	44 Å²	44	40%	0.404	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-106	138.2	-179.5	-55.3	-49.8	-171.3	178.6	0	111.5	G137 E138 G144 K145	G137-K140 WeakPolarHBondContact O-CD 2.75Å; G137-K140 WeakPolarHBondContact O-CE 3.32Å; G137-K140 PolarHBondContact O-NZ 3.46Å; E138-K140 WeakPolarHBondContact O-CG 3.3Å; E138-K140 PolarHBondContact O-N 3.21Å; K140-G144 WeakPolarHBondContact CD-O 3.36Å; K140-K145 CarbonylContact C-O 3.56Å; K140-K145 WeakPolarHBondContact CA-O 3.36Å
141	G	98.6	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.			trans	-60.7	177.8	163.8	0	0	0	0	0	112.4	T143 G144 K145 H239	G141-T143 PolarHBondContact O-N 3.33Å; G141-T143 VanDerWaalsContact O-N 3.12Å; G141-G144 PolarHBondContact O-N 3.39Å; G141-K145 PolarHBondContact N-O 3.19Å; G141-H239 VanDerWaalsContact CA-CE1 3.49Å; G141-H239 WeakPolarHBondContact CA-CE1 3.45Å; G141-H239 WeakPolarHBondContact CA-NE2 3.33Å
142	Y	98.5	Very high	98.8	Very high	52 Å²	52	43.3 Å²	43.3	20%	0.204	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.9	-174	82.3	-83.3	0	0	0	113.6	E199 F226 A229 A230 H235 H239	Y142-E199 HydrophobicContact CE1-CB 4.28Å; Y142-E199 HydrophobicContact CE1-CG 3.79Å; Y142-F226 HydrophobicContact CD1-CE2 4.07Å; Y142-F226 HydrophobicContact CD1-CZ 4.2Å; Y142-F226 HydrophobicContact CE1-CE2 4.34Å; Y142-A229 PolarHBondContact OH-O 2.93Å; Y142-A230 HydrophobicContact CD1-CB 4.24Å; Y142-A230 HydrophobicContact CD2-CB 4.2Å; Y142-A230 HydrophobicContact CE1-CB 4.08Å; Y142-A230 HydrophobicContact CE2-CB 4.03Å; Y142-A230 HydrophobicContact CG-CB 4.3Å; Y142-H235 HydrophobicContact CG-CB 4.35Å; Y142-H239 AromaticContact CD1-NE2 3.54Å; Y142-H239 PolarHBondContact N-NE2 2.94Å
143	T	98.5	Very high	98.8	Very high	61 Å²	61	38.7 Å²	38.7	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	7.3	176.5	62.6	0	0	0	0	114.3	G141 E199	G141-T143 PolarHBondContact O-N 3.33Å; G141-T143 VanDerWaalsContact O-N 3.12Å; T143-E199 WeakPolarHBondContact CB-OE2 3.49Å; T143-E199 HydrophobicContact CG2-CB 4.38Å; T143-E199 HydrophobicContact CG2-CG 3.7Å; T143-E199 VanDerWaalsContact CG2-OE2 3.27Å; T143-E199 WeakPolarHBondContact CG2-OE2 3.32Å; T143-E199 PolarHBondContact OG1-OE2 3.12Å
144	G	98.4	Very high	98.8	Very high	44 Å²	44	37.9 Å²	37.9	45%	0.454	21%	0.208	S	C	.	.	S	Bend	trans	86	1.5	179	0	0	0	0	0	115.1	K140 G141	K140-G144 WeakPolarHBondContact CD-O 3.36Å; G141-G144 PolarHBondContact O-N 3.39Å
145	K	98.8	Very high	98.7	Very high	95 Å²	95	40.8 Å²	40.8	41%	0.413	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-81.4	152.2	176.7	-66	175.5	-177.9	163.1	0	111.8	K140 G141 E199 T200	K140-K145 CarbonylContact C-O 3.56Å; K140-K145 WeakPolarHBondContact CA-O 3.36Å; G141-K145 PolarHBondContact N-O 3.19Å; K145-E199 HydrophobicContact CD-CB 4.3Å; K145-E199 WeakPolarHBondContact CD-OE2 3.42Å; K145-E199 WeakPolarHBondContact CE-OE2 3.31Å; K145-E199 VanDerWaalsContact NZ-CD 3.29Å; K145-E199 IonicContact NZ-OE1 3.27Å; K145-E199 PolarHBondContact NZ-OE1 3.39Å; K145-E199 IonicContact NZ-OE2 2.69Å; K145-E199 PolarHBondContact NZ-OE2 3.28Å; K145-T200 HydrophobicContact CB-CG2 3.73Å; K145-T200 HydrophobicContact CD-CG2 3.99Å
146	A	98.8	Very high	98.6	Very high	36 Å²	36	40 Å²	40	30%	0.298	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-71.3	154.8	171.2	0	0	0	0	0	110.7	T200	A146-T200 WeakPolarHBondContact O-CB 3.33Å; A146-T200 WeakPolarHBondContact O-CG2 3.33Å
147	I	98.9	Very high	98.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.7	138.1	175.1	-58.5	-57.3	0	0	0	109.7	I134 D149 V150 L176 T200 L202	I134-I147 HydrophobicContact CD1-CG1 4.03Å; I134-I147 HydrophobicContact CG2-CB 4.15Å; I134-I147 HydrophobicContact CG2-CG1 4.49Å; I134-I147 HydrophobicContact CG2-CG2 4.21Å; I147-D149 WeakPolarHBondContact CG2-O 3.28Å; I147-V150 HydrophobicContact CG2-CG2 4.47Å; I147-L176 HydrophobicContact CG2-CD2 4.23Å; I147-L176 WeakPolarHBondContact O-CD2 3.5Å; I147-T200 CarbonylContact C-O 3.59Å; I147-T200 WeakPolarHBondContact CA-O 3.16Å; I147-T200 WeakPolarHBondContact CG2-O 3.08Å; I147-L202 HydrophobicContact CD1-CB 4.45Å; I147-L202 HydrophobicContact CG1-CB 4.48Å; I147-L202 HydrophobicContact CG2-CB 3.81Å
148	T	98.9	Very high	98.5	Very high	54 Å²	54	36.8 Å²	36.8	33%	0.331	20%	0.202	S	C	.	.			trans	-118.9	-25.5	178	58.4	0	0	0	0	112.5	N177 T200	T148-N177 PolarHBondContact O-N 2.94Å; T148-T200 HydrophobicContact CG2-CG2 4.4Å; T148-T200 PolarHBondContact N-O 3Å; T148-T200 VanDerWaalsContact OG1-CB 3.3Å; T148-T200 WeakPolarHBondContact OG1-CB 3.46Å; T148-T200 PolarHBondContact OG1-O 3.19Å; T148-T200 PolarHBondContact OG1-OG1 2.71Å
149	D	99	Very high	98.5	Very high	16 Å²	16	30.2 Å²	30.2	9%	0.086	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137	-173.7	-66.3	-97.8	0	0	0	110.1	I147 N177 H179 V196 T200 T201 L202	I147-D149 WeakPolarHBondContact CG2-O 3.28Å; D149-N177 WeakPolarHBondContact CA-O 3.48Å; D149-N177 WeakPolarHBondContact OD1-CB 2.98Å; D149-H179 IonicContact OD1-CD2 3.77Å; D149-H179 IonicContact OD1-CE1 2.8Å; D149-H179 IonicContact OD1-NE2 2.65Å; D149-H179 PolarHBondContact OD1-NE2 2.88Å; D149-V196 HydrophobicContact CB-CB 4.39Å; D149-V196 HydrophobicContact CB-CG1 4.09Å; D149-T200 PolarHBondContact N-O 3.02Å; D149-T201 HydrophobicContact CB-CG2 4.22Å; D149-T201 CarbonylContact O-C 3.57Å; D149-T201 WeakPolarHBondContact O-CA 3.43Å; D149-L202 PolarHBondContact O-N 3.05Å
150	V	99	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.7	172.6	-179.5	0	0	0	0	108.6	I147 L176 N177 M178 H179 L202 L204 L283	I147-V150 HydrophobicContact CG2-CG2 4.47Å; V150-L176 HydrophobicContact CG2-CD1 4.12Å; V150-N177 PolarHBondContact N-O 2.7Å; V150-M178 HydrophobicContact CB-CE 3.65Å; V150-M178 HydrophobicContact CB-SD 3.91Å; V150-M178 HydrophobicContact CG1-CE 3.74Å; V150-M178 HydrophobicContact CG2-CE 4.38Å; V150-M178 HydrophobicContact CG2-SD 4.29Å; V150-H179 PolarHBondContact O-N 3.36Å; V150-L202 CarbonylContact C-O 3.58Å; V150-L202 VanDerWaalsContact CA-O 3.31Å; V150-L202 WeakPolarHBondContact CA-O 3.5Å; V150-L202 HydrophobicContact CG2-CB 4.49Å; V150-L204 HydrophobicContact CG1-CD1 4.03Å; V150-L204 HydrophobicContact CG1-CG 4.1Å; V150-L283 HydrophobicContact CG1-CD1 3.88Å; V150-L283 HydrophobicContact CG2-CB 4.48Å; V150-L283 HydrophobicContact CG2-CD1 4.16Å
151	V	99	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107.8	179.2	-176.6	0	0	0	0	109	I153 H179 V181 V192 T201 L202 F203 L204	V151-I153 HydrophobicContact CG1-CG1 4.17Å; V151-H179 CarbonylContact C-O 3.54Å; V151-H179 WeakPolarHBondContact CA-O 3.5Å; V151-H179 HydrophobicContact CB-CB 4.44Å; V151-H179 HydrophobicContact CG1-CB 4.36Å; V151-H179 HydrophobicContact CG2-CB 4.05Å; V151-V181 HydrophobicContact CG1-CG2 3.98Å; V151-V192 HydrophobicContact CG1-CG1 3.98Å; V151-V192 HydrophobicContact CG2-CG1 3.8Å; V151-T201 HydrophobicContact CB-CG2 4.49Å; V151-T201 HydrophobicContact CG2-CG2 3.6Å; V151-L202 PolarHBondContact N-O 3.14Å; V151-F203 HydrophobicContact CB-CD1 3.57Å; V151-F203 HydrophobicContact CB-CE1 3.74Å; V151-F203 HydrophobicContact CB-CG 4.46Å; V151-F203 HydrophobicContact CG1-CD1 3.87Å; V151-F203 HydrophobicContact CG1-CE1 3.92Å; V151-F203 HydrophobicContact CG2-CD1 4.17Å; V151-F203 HydrophobicContact CG2-CE1 3.86Å; V151-F203 HydrophobicContact CG2-CZ 4.5Å; V151-F203 WeakPolarHBondContact O-CA 3.08Å; V151-L204 PolarHBondContact O-N 2.84Å
152	N	98.9	Very high	98.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.8	173	-172.8	92.4	0	0	0	109.8	S158 H179 F180 V181 S280	N152-S158 PolarHBondContact ND2-O 3.44Å; N152-H179 PolarHBondContact N-O 2.8Å; N152-F180 HydrophobicContact CB-CD1 3.67Å; N152-F180 HydrophobicContact CB-CE1 3.83Å; N152-V181 PolarHBondContact O-N 3.41Å; N152-S280 PolarHBondContact OD1-OG 2.65Å
153	I	98.9	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110.1	176.9	-52.7	-179.7	0	0	0	108.4	V151 V181 F203 L204 A206 T215 N218 A222	V151-I153 HydrophobicContact CG1-CG1 4.17Å; I153-V181 WeakPolarHBondContact CA-O 3.48Å; I153-V181 HydrophobicContact CG1-CB 4.44Å; I153-F203 HydrophobicContact CD1-CD1 3.93Å; I153-L204 PolarHBondContact N-O 3.49Å; I153-A206 PolarHBondContact O-N 3.02Å; I153-T215 HydrophobicContact CG2-CG2 4.11Å; I153-T215 WeakPolarHBondContact O-CG2 3.45Å; I153-N218 HydrophobicContact CG2-CB 3.55Å; I153-A222 HydrophobicContact CD1-CB 3.94Å
154	G	98.5	Very high	98.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.136	C	C	.	.			trans	-169.9	163.9	-178.2	0	0	0	0	0	111	D159 V181 S182	G154-D159 WeakPolarHBondContact O-CB 3.33Å; G154-V181 PolarHBondContact N-O 2.97Å; G154-S182 WeakPolarHBondContact O-CA 3.43Å; G154-S182 WeakPolarHBondContact O-CB 3.38Å
155	I	97.8	Very high	98.5	Very high	61 Å²	61	20.4 Å²	20.4	31%	0.313	12%	0.115	S	C	.	.			trans	-127.2	153	179	-163	166.3	0	0	0	111.2	G157 S158 T212 E214	I155-G157 PolarHBondContact O-N 3.3Å; I155-G157 VanDerWaalsContact O-N 3.12Å; I155-S158 PolarHBondContact O-N 3.33Å; I155-S158 VanDerWaalsContact O-N 3.12Å; I155-T212 HydrophobicContact CG2-CG2 3.78Å; I155-E214 HydrophobicContact CD1-CB 3.83Å; I155-E214 HydrophobicContact CD1-CG 3.78Å
156	G	96.4	Very high	98.5	Very high	23 Å²	23	16 Å²	16	24%	0.237	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	57.5	-115.5	179.7	0	0	0	0	0	111.3	S158 D159 L160	G156-S158 PolarHBondContact O-N 2.91Å; G156-D159 PolarHBondContact O-N 3.33Å; G156-L160 PolarHBondContact O-N 2.78Å
157	G	96.6	Very high	98.5	Very high	7 Å²	7	15.2 Å²	15.2	7%	0.072	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-66.8	-21.1	-177	0	0	0	0	0	114.2	I155 D159 G269 S272 Q351	I155-G157 PolarHBondContact O-N 3.3Å; I155-G157 VanDerWaalsContact O-N 3.12Å; G157-D159 VanDerWaalsContact C-N 3.26Å; G157-D159 PolarHBondContact O-N 3.34Å; G157-G269 VanDerWaalsContact CA-O 3.23Å; G157-G269 WeakPolarHBondContact CA-O 3.5Å; G157-S272 PolarHBondContact O-OG 2.86Å; G157-Q351 VanDerWaalsContact N-OE1 3.12Å
158	S	98	Very high	98.5	Very high	18 Å²	18	15.3 Å²	15.3	13%	0.126	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-85.1	3.4	176.4	-54.7	0	0	0	0	113.4	N152 I155 G156 A206	N152-S158 PolarHBondContact ND2-O 3.44Å; I155-S158 PolarHBondContact O-N 3.33Å; I155-S158 VanDerWaalsContact O-N 3.12Å; G156-S158 PolarHBondContact O-N 2.91Å; S158-A206 WeakPolarHBondContact CB-O 3.39Å
159	D	98.8	Very high	98.5	Very high	12 Å²	12	12.7 Å²	12.7	6%	0.064	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-59	-177	-179.6	57.3	0	0	0	111.7	G154 G156 G157 G161 P162 Y163 S182	G154-D159 WeakPolarHBondContact O-CB 3.33Å; G156-D159 PolarHBondContact O-N 3.33Å; G157-D159 VanDerWaalsContact C-N 3.26Å; G157-D159 PolarHBondContact O-N 3.34Å; D159-G161 PolarHBondContact O-N 2.89Å; D159-P162 WeakPolarHBondContact O-CD 2.87Å; D159-Y163 WeakPolarHBondContact O-CB 3.42Å; D159-Y163 PolarHBondContact O-N 3.32Å; D159-S182 VanDerWaalsContact CG-CB 3.44Å; D159-S182 WeakPolarHBondContact OD2-CB 3.39Å; D159-S182 PolarHBondContact OD2-OG 2.84Å; D159-S182 VanDerWaalsContact OD2-OG 3.13Å
160	L	98.6	Very high	98.5	Very high	36 Å²	36	17.3 Å²	17.3	19%	0.188	9%	0.087	C	C	.	.	H	α-helix	trans	-60.3	-43.8	-168	-69.1	177	0	0	0	113	G156 M164 Y348 Q351	G156-L160 PolarHBondContact O-N 2.78Å; L160-M164 WeakPolarHBondContact O-CB 3.3Å; L160-M164 PolarHBondContact O-N 3.34Å; L160-Y348 HydrophobicContact CB-CD2 4.2Å; L160-Q351 HydrophobicContact CD1-CB 3.68Å; L160-Q351 HydrophobicContact CD1-CG 4.46Å
161	G	98.8	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.2	-59.2	178	0	0	0	0	0	112	D159 Y163 M164 V165	D159-G161 PolarHBondContact O-N 2.89Å; G161-Y163 VanDerWaalsContact C-N 3.32Å; G161-Y163 PolarHBondContact O-N 3.01Å; G161-M164 PolarHBondContact O-N 3.45Å; G161-V165 WeakPolarHBondContact O-CG2 3.48Å; G161-V165 PolarHBondContact O-N 3.1Å
162	P	98.9	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-53.5	-43.9	176	-30	37	0	0	0	114.6	D159 T166 F180 I277 S280 I281	D159-P162 WeakPolarHBondContact O-CD 2.87Å; P162-T166 WeakPolarHBondContact O-CB 3.44Å; P162-T166 WeakPolarHBondContact O-CG2 3.19Å; P162-T166 PolarHBondContact O-N 2.98Å; P162-T166 PolarHBondContact O-OG1 2.84Å; P162-F180 HydrophobicContact CB-CD1 4.47Å; P162-F180 HydrophobicContact CB-CE1 3.71Å; P162-I277 HydrophobicContact CG-CG2 3.79Å; P162-I277 WeakPolarHBondContact CG-O 3.45Å; P162-S280 WeakPolarHBondContact CB-OG 2.9Å; P162-I281 HydrophobicContact CB-CG1 4.36Å
163	Y	98.9	Very high	98.5	Very high	67 Å²	67	26.3 Å²	26.3	26%	0.263	13%	0.13	S	C	.	.	H	α-helix	trans	-67.5	-46.7	179.2	-176.7	-150.8	0	0	0	111.8	D159 G161 V165 T166 E167 F180 R344	D159-Y163 WeakPolarHBondContact O-CB 3.42Å; D159-Y163 PolarHBondContact O-N 3.32Å; G161-Y163 VanDerWaalsContact C-N 3.32Å; G161-Y163 PolarHBondContact O-N 3.01Å; Y163-V165 PolarHBondContact O-N 3.44Å; Y163-T166 PolarHBondContact O-N 3.17Å; Y163-T166 PolarHBondContact O-OG1 2.88Å; Y163-T166 VanDerWaalsContact O-OG1 3.12Å; Y163-E167 HydrophobicContact CD2-CG 3.74Å; Y163-E167 HydrophobicContact CE2-CG 3.35Å; Y163-E167 WeakPolarHBondContact O-CB 3.37Å; Y163-E167 PolarHBondContact O-N 3.16Å; Y163-F180 HydrophobicContact CD2-CB 4.35Å; Y163-F180 AromaticContact CD2-CD2 3.32Å; Y163-F180 HydrophobicContact CD2-CD2 3.32Å; Y163-F180 AromaticContact CD2-CE2 3.74Å; Y163-F180 HydrophobicContact CD2-CE2 3.74Å; Y163-F180 AromaticContact CD2-CG 3.87Å; Y163-F180 HydrophobicContact CD2-CG 3.87Å; Y163-F180 HydrophobicContact CE2-CD2 4.02Å; Y163-F180 HydrophobicContact CG-CB 4.2Å; Y163-F180 HydrophobicContact CG-CD1 4.5Å; Y163-F180 AromaticContact CG-CD2 3.89Å; Y163-F180 HydrophobicContact CG-CD2 3.89Å; Y163-F180 HydrophobicContact CG-CE2 4.45Å; Y163-F180 AromaticContact CG-CG 3.93Å; Y163-F180 HydrophobicContact CG-CG 3.93Å; Y163-R344 HydrophobicContact CD1-CG 4.21Å; Y163-R344 HydrophobicContact CE1-CG 4.01Å
164	M	98.9	Very high	98.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-59.4	-45	178.2	175	-82.3	-70.5	0	0	112.2	L160 G161 A168 L273 R344 F345 Y348 I486	L160-M164 WeakPolarHBondContact O-CB 3.3Å; L160-M164 PolarHBondContact O-N 3.34Å; G161-M164 PolarHBondContact O-N 3.45Å; M164-A168 WeakPolarHBondContact O-CB 3.43Å; M164-A168 PolarHBondContact O-N 3.46Å; M164-L273 HydrophobicContact CE-CD2 4.44Å; M164-R344 HydrophobicContact CB-CB 3.91Å; M164-R344 HydrophobicContact CG-CB 4.16Å; M164-F345 HydrophobicContact CG-CB 4.48Å; M164-F345 HydrophobicContact SD-CD2 3.97Å; M164-Y348 HydrophobicContact CE-CD1 3.54Å; M164-Y348 HydrophobicContact CE-CD2 4.03Å; M164-Y348 HydrophobicContact CE-CE1 3.96Å; M164-Y348 HydrophobicContact CE-CE2 4.43Å; M164-Y348 HydrophobicContact CE-CG 3.57Å; M164-Y348 HydrophobicContact CG-CG 4.48Å; M164-I486 HydrophobicContact CE-CD1 3.7Å; M164-I486 HydrophobicContact CE-CG1 4.03Å; M164-I486 HydrophobicContact SD-CD1 4.44Å
165	V	98.9	Very high	98.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.4	-40.8	-177.1	175.3	0	0	0	0	111.6	G161 Y163 E167 A168 L169 L273 I281 L293 L482 I486	G161-V165 WeakPolarHBondContact O-CG2 3.48Å; G161-V165 PolarHBondContact O-N 3.1Å; Y163-V165 PolarHBondContact O-N 3.44Å; V165-E167 VanDerWaalsContact C-N 3.34Å; V165-E167 PolarHBondContact O-N 3.28Å; V165-A168 PolarHBondContact O-N 3.04Å; V165-L169 HydrophobicContact CG1-CD1 3.76Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-L169 WeakPolarHBondContact O-CB 3.49Å; V165-L169 PolarHBondContact O-N 2.77Å; V165-L273 HydrophobicContact CG2-CD1 4.28Å; V165-L273 HydrophobicContact CG2-CD2 4.2Å; V165-I281 HydrophobicContact CB-CD1 3.8Å; V165-I281 HydrophobicContact CB-CG1 4.1Å; V165-I281 HydrophobicContact CG1-CD1 3.88Å; V165-I281 HydrophobicContact CG1-CG1 4.11Å; V165-I281 HydrophobicContact CG1-CG2 3.62Å; V165-I281 HydrophobicContact CG2-CD1 4.17Å; V165-L293 HydrophobicContact CG1-CD1 4.47Å; V165-L293 HydrophobicContact CG1-CD2 3.77Å; V165-L482 HydrophobicContact CG1-CD2 4.24Å; V165-L482 HydrophobicContact CG2-CD2 4.48Å; V165-I486 HydrophobicContact CG2-CD1 4.01Å
166	T	98.9	Very high	98.6	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-67	-34.8	177.4	51.5	0	0	0	0	112.6	P162 Y163 R170 F180 I281	P162-T166 WeakPolarHBondContact O-CB 3.44Å; P162-T166 WeakPolarHBondContact O-CG2 3.19Å; P162-T166 PolarHBondContact O-N 2.98Å; P162-T166 PolarHBondContact O-OG1 2.84Å; Y163-T166 PolarHBondContact O-N 3.17Å; Y163-T166 PolarHBondContact O-OG1 2.88Å; Y163-T166 VanDerWaalsContact O-OG1 3.12Å; T166-R170 WeakPolarHBondContact O-CG 3.44Å; T166-R170 PolarHBondContact O-N 2.9Å; T166-F180 HydrophobicContact CG2-CZ 3.95Å; T166-F180 WeakPolarHBondContact OG1-CE2 3.34Å; T166-F180 WeakPolarHBondContact OG1-CZ 3.37Å; T166-I281 HydrophobicContact CG2-CB 4.37Å; T166-I281 HydrophobicContact CG2-CG1 4.16Å
167	E	98.9	Very high	98.7	Very high	20 Å²	20	33 Å²	33	9%	0.093	16%	0.157	C	C	.	.	H	α-helix	trans	-67.7	-49.1	170.8	-77.5	-63.8	130.8	0	0	111.7	Y163 V165 L169 R170 Y341 H343	Y163-E167 HydrophobicContact CD2-CG 3.74Å; Y163-E167 HydrophobicContact CE2-CG 3.35Å; Y163-E167 WeakPolarHBondContact O-CB 3.37Å; Y163-E167 PolarHBondContact O-N 3.16Å; V165-E167 VanDerWaalsContact C-N 3.34Å; V165-E167 PolarHBondContact O-N 3.28Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 3.33Å; E167-R170 VanDerWaalsContact CD-NH1 3.28Å; E167-R170 WeakPolarHBondContact O-CB 3.5Å; E167-R170 PolarHBondContact O-N 3.27Å; E167-R170 IonicContact OE1-CZ 3.96Å; E167-R170 IonicContact OE1-NE 2.69Å; E167-R170 PolarHBondContact OE1-NE 3.47Å; E167-R170 IonicContact OE1-NH1 3.5Å; E167-R170 PolarHBondContact OE1-NH1 3.23Å; E167-R170 IonicContact OE1-NH2 2.72Å; E167-R170 PolarHBondContact OE1-NH2 3.44Å; E167-R170 IonicContact OE2-CZ 2.68Å; E167-R170 IonicContact OE2-NE 3.04Å; E167-R170 IonicContact OE2-NH1 3.7Å; E167-R170 PolarHBondContact OE2-NH1 3.04Å; E167-Y341 CarbonylContact C-O 3.53Å; E167-Y341 WeakPolarHBondContact O-CB 3.4Å; E167-Y341 WeakPolarHBondContact O-CD1 3.49Å; E167-H343 IonicContact OE2-NE2 3.27Å; E167-H343 PolarHBondContact OE2-NE2 3.32Å
168	A	98.9	Very high	98.8	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-33.6	-179.1	0	0	0	0	0	113.2	M164 V165 Y341 M342 L482	M164-A168 WeakPolarHBondContact O-CB 3.43Å; M164-A168 PolarHBondContact O-N 3.46Å; V165-A168 PolarHBondContact O-N 3.04Å; A168-Y341 WeakPolarHBondContact CA-O 3.34Å; A168-Y341 PolarHBondContact N-O 2.8Å; A168-M342 HydrophobicContact CB-CG 4.37Å; A168-L482 HydrophobicContact CB-CD1 4.36Å; A168-L482 HydrophobicContact CB-CD2 3.59Å
169	L	98.9	Very high	98.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	21.7	-179.2	-59.1	177.8	0	0	0	113	V165 E167 P171 Y172 I285 I477 P479 L482	V165-L169 HydrophobicContact CG1-CD1 3.76Å; V165-L169 HydrophobicContact CG1-CG 4.37Å; V165-L169 WeakPolarHBondContact O-CB 3.49Å; V165-L169 PolarHBondContact O-N 2.77Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 3.33Å; L169-P171 VanDerWaalsContact C-N 3.26Å; L169-P171 VanDerWaalsContact O-N 3.16Å; L169-Y172 HydrophobicContact CB-CD2 4.29Å; L169-Y172 HydrophobicContact CD2-CD2 4.19Å; L169-Y172 HydrophobicContact CD2-CE2 4.38Å; L169-Y172 WeakPolarHBondContact O-CA 3.45Å; L169-Y172 WeakPolarHBondContact O-CB 3.36Å; L169-Y172 PolarHBondContact O-N 3.14Å; L169-I285 HydrophobicContact CB-CD1 4.38Å; L169-I285 HydrophobicContact CB-CG2 4.16Å; L169-I285 HydrophobicContact CD1-CD1 3.6Å; L169-I477 HydrophobicContact CD2-CG2 4.39Å; L169-P479 HydrophobicContact CD1-CB 3.94Å; L169-P479 HydrophobicContact CD1-CG 4.1Å; L169-P479 HydrophobicContact CD2-CG 4.27Å; L169-L482 HydrophobicContact CD1-CD2 3.98Å; L169-L482 HydrophobicContact CD2-CB 4.32Å; L169-L482 HydrophobicContact CD2-CD2 3.87Å; L169-L482 HydrophobicContact CG-CD2 3.65Å
170	R	98.9	Very high	98.9	Very high	113 Å²	113	35.5 Å²	35.5	43%	0.426	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-48.5	-37.5	174.9	-98.8	-179	152	163.7	-4	115	T166 E167 Y172 K173 Y341	T166-R170 WeakPolarHBondContact O-CG 3.44Å; T166-R170 PolarHBondContact O-N 2.9Å; E167-R170 VanDerWaalsContact CD-NH1 3.28Å; E167-R170 WeakPolarHBondContact O-CB 3.5Å; E167-R170 PolarHBondContact O-N 3.27Å; E167-R170 IonicContact OE1-CZ 3.96Å; E167-R170 IonicContact OE1-NE 2.69Å; E167-R170 PolarHBondContact OE1-NE 3.47Å; E167-R170 IonicContact OE1-NH1 3.5Å; E167-R170 PolarHBondContact OE1-NH1 3.23Å; E167-R170 IonicContact OE1-NH2 2.72Å; E167-R170 PolarHBondContact OE1-NH2 3.44Å; E167-R170 IonicContact OE2-CZ 2.68Å; E167-R170 IonicContact OE2-NE 3.04Å; E167-R170 IonicContact OE2-NH1 3.7Å; E167-R170 PolarHBondContact OE2-NH1 3.04Å; R170-Y172 PolarHBondContact O-N 3.4Å; R170-Y172 VanDerWaalsContact O-N 3.12Å; R170-K173 VanDerWaalsContact O-CB 3.32Å; R170-K173 WeakPolarHBondContact O-CB 3.41Å; R170-K173 WeakPolarHBondContact O-CG 3.18Å; R170-K173 PolarHBondContact O-N 2.86Å; R170-Y341 HydrophobicContact CB-CD1 3.62Å; R170-Y341 HydrophobicContact CB-CE1 3.4Å; R170-Y341 VanDerWaalsContact CB-CE1 3.4Å; R170-Y341 HydrophobicContact CG-CD1 4.37Å; R170-Y341 HydrophobicContact CG-CE1 4.27Å
171	P	98.9	Very high	98.9	Very high	48 Å²	48	33.8 Å²	33.8	31%	0.312	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-57.3	-22.8	174.3	-29.4	38.5	0	0	0	114.7	L169 Y341 H410	L169-P171 VanDerWaalsContact C-N 3.26Å; L169-P171 VanDerWaalsContact O-N 3.16Å; P171-Y341 HydrophobicContact CG-CD2 3.9Å; P171-Y341 HydrophobicContact CG-CE2 3.35Å; P171-H410 HydrophobicContact CB-CB 3.8Å; P171-H410 HydrophobicContact CG-CB 3.54Å; P171-H410 VanDerWaalsContact CG-CG 3.44Å
172	Y	98.9	Very high	98.9	Very high	59 Å²	59	34.7 Å²	34.7	23%	0.231	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-96.4	5	179.9	-62	-92.8	0	0	0	113	L169 R170 I285 H410 T478 P479	L169-Y172 HydrophobicContact CB-CD2 4.29Å; L169-Y172 HydrophobicContact CD2-CD2 4.19Å; L169-Y172 HydrophobicContact CD2-CE2 4.38Å; L169-Y172 WeakPolarHBondContact O-CA 3.45Å; L169-Y172 WeakPolarHBondContact O-CB 3.36Å; L169-Y172 PolarHBondContact O-N 3.14Å; R170-Y172 PolarHBondContact O-N 3.4Å; R170-Y172 VanDerWaalsContact O-N 3.12Å; Y172-I285 WeakPolarHBondContact O-CA 3.43Å; Y172-H410 AromaticContact CE2-CE1 3.54Å; Y172-H410 AromaticContact CE2-NE2 3.77Å; Y172-H410 AromaticContact CZ-CE1 3.71Å; Y172-H410 PolarHBondContact OH-CE1 3.37Å; Y172-T478 WeakPolarHBondContact OH-CG2 3.46Å; Y172-P479 HydrophobicContact CD1-CG 4.12Å; Y172-P479 HydrophobicContact CD2-CG 4.4Å; Y172-P479 HydrophobicContact CE1-CG 4.28Å; Y172-P479 HydrophobicContact CG-CG 4.2Å
173	K	98.9	Very high	98.8	Very high	82 Å²	82	38.6 Å²	38.6	36%	0.357	18%	0.183	S	C	.	.			trans	-67.7	151.2	-177.8	79.1	179.8	-61.5	-66.4	0	112.4	R170 L176 S284	R170-K173 VanDerWaalsContact O-CB 3.32Å; R170-K173 WeakPolarHBondContact O-CB 3.41Å; R170-K173 WeakPolarHBondContact O-CG 3.18Å; R170-K173 PolarHBondContact O-N 2.86Å; K173-L176 PolarHBondContact NZ-O 3.41Å; K173-S284 CarbonylContact C-O 3.5Å; K173-S284 VanDerWaalsContact CA-O 3.29Å; K173-S284 WeakPolarHBondContact CA-O 3.41Å
174	N	98.8	Very high	98.8	Very high	37 Å²	37	38.6 Å²	38.6	20%	0.198	19%	0.19	C	C	.	.			trans	-89.6	-159.1	165.3	64.8	43.3	0	0	0	111.2	I135 L176 L283 S284	I135-N174 WeakPolarHBondContact CD1-ND2 3.44Å; I135-N174 HydrophobicContact CG2-CB 4.49Å; N174-L176 VanDerWaalsContact C-N 3.34Å; N174-L176 PolarHBondContact O-N 2.9Å; N174-L176 WeakPolarHBondContact OD1-CB 3.42Å; N174-L176 PolarHBondContact OD1-N 3.38Å; N174-L283 PolarHBondContact ND2-O 2.88Å; N174-S284 VanDerWaalsContact CG-O 3.25Å; N174-S284 PolarHBondContact N-O 3.11Å; N174-S284 PolarHBondContact ND2-O 3.23Å
175	H	98.8	Very high	98.8	Very high	107 Å²	107	42.6 Å²	42.6	50%	0.495	21%	0.211	S	C	.	.	S	Bend	trans	-75.7	-14.9	-175.7	69.1	-77.9	0	0	0	114.7	I135	I135-H175 PolarHBondContact O-CE1 3.2Å
176	L	98.9	Very high	98.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-67.7	143.4	-177	-67.6	171.5	0	0	0	111.8	I134 I135 I147 V150 K173 N174 M178 L283	I134-L176 HydrophobicContact CG2-CD1 4.06Å; I135-L176 HydrophobicContact CG1-CD1 3.94Å; I147-L176 HydrophobicContact CG2-CD2 4.23Å; I147-L176 WeakPolarHBondContact O-CD2 3.5Å; V150-L176 HydrophobicContact CG2-CD1 4.12Å; K173-L176 PolarHBondContact NZ-O 3.41Å; N174-L176 VanDerWaalsContact C-N 3.34Å; N174-L176 PolarHBondContact O-N 2.9Å; N174-L176 WeakPolarHBondContact OD1-CB 3.42Å; N174-L176 PolarHBondContact OD1-N 3.38Å; L176-M178 HydrophobicContact CB-SD 4.19Å; L176-L283 HydrophobicContact CD1-CB 4.42Å; L176-L283 WeakPolarHBondContact CD1-O 3.3Å
177	N	98.9	Very high	98.8	Very high	80 Å²	80	48.3 Å²	48.3	43%	0.428	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.7	171.5	-63.8	-46	0	0	0	109.5	T148 D149 V150	T148-N177 PolarHBondContact O-N 2.94Å; D149-N177 WeakPolarHBondContact CA-O 3.48Å; D149-N177 WeakPolarHBondContact OD1-CB 2.98Å; V150-N177 PolarHBondContact N-O 2.7Å
178	M	98.9	Very high	98.8	Very high	36 Å²	36	50.2 Å²	50.2	18%	0.177	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.3	-176.6	-52.3	-53.7	-61.1	0	0	110.2	V150 L176 F180 S280 L283	V150-M178 HydrophobicContact CB-CE 3.65Å; V150-M178 HydrophobicContact CB-SD 3.91Å; V150-M178 HydrophobicContact CG1-CE 3.74Å; V150-M178 HydrophobicContact CG2-CE 4.38Å; V150-M178 HydrophobicContact CG2-SD 4.29Å; L176-M178 HydrophobicContact CB-SD 4.19Å; M178-F180 HydrophobicContact CB-CE2 3.95Å; M178-F180 HydrophobicContact CB-CZ 4.47Å; M178-S280 WeakPolarHBondContact CE-O 3.4Å; M178-L283 HydrophobicContact CE-CB 4.45Å
179	H	98.9	Very high	98.8	Very high	36 Å²	36	50.5 Å²	50.5	17%	0.167	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.7	175.7	-50.5	-97.7	0	0	0	109.4	D149 V150 V151 N152 V192	D149-H179 IonicContact OD1-CD2 3.77Å; D149-H179 IonicContact OD1-CE1 2.8Å; D149-H179 IonicContact OD1-NE2 2.65Å; D149-H179 PolarHBondContact OD1-NE2 2.88Å; V150-H179 PolarHBondContact O-N 3.36Å; V151-H179 CarbonylContact C-O 3.54Å; V151-H179 WeakPolarHBondContact CA-O 3.5Å; V151-H179 HydrophobicContact CB-CB 4.44Å; V151-H179 HydrophobicContact CG1-CB 4.36Å; V151-H179 HydrophobicContact CG2-CB 4.05Å; N152-H179 PolarHBondContact N-O 2.8Å; H179-V192 HydrophobicContact CB-CG1 3.81Å; H179-V192 HydrophobicContact CB-CG2 4.31Å
180	F	98.9	Very high	98.8	Very high	18 Å²	18	52.4 Å²	52.4	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.9	-178.3	-66	-89.4	0	0	0	109.1	N152 P162 Y163 T166 M178 H188	N152-F180 HydrophobicContact CB-CD1 3.67Å; N152-F180 HydrophobicContact CB-CE1 3.83Å; P162-F180 HydrophobicContact CB-CD1 4.47Å; P162-F180 HydrophobicContact CB-CE1 3.71Å; Y163-F180 HydrophobicContact CD2-CB 4.35Å; Y163-F180 AromaticContact CD2-CD2 3.32Å; Y163-F180 HydrophobicContact CD2-CD2 3.32Å; Y163-F180 AromaticContact CD2-CE2 3.74Å; Y163-F180 HydrophobicContact CD2-CE2 3.74Å; Y163-F180 AromaticContact CD2-CG 3.87Å; Y163-F180 HydrophobicContact CD2-CG 3.87Å; Y163-F180 HydrophobicContact CE2-CD2 4.02Å; Y163-F180 HydrophobicContact CG-CB 4.2Å; Y163-F180 HydrophobicContact CG-CD1 4.5Å; Y163-F180 AromaticContact CG-CD2 3.89Å; Y163-F180 HydrophobicContact CG-CD2 3.89Å; Y163-F180 HydrophobicContact CG-CE2 4.45Å; Y163-F180 AromaticContact CG-CG 3.93Å; Y163-F180 HydrophobicContact CG-CG 3.93Å; T166-F180 HydrophobicContact CG2-CZ 3.95Å; T166-F180 WeakPolarHBondContact OG1-CE2 3.34Å; T166-F180 WeakPolarHBondContact OG1-CZ 3.37Å; M178-F180 HydrophobicContact CB-CE2 3.95Å; M178-F180 HydrophobicContact CB-CZ 4.47Å; F180-H188 PolarHBondContact O-NE2 2.87Å
181	V	98.9	Very high	98.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.7	179.5	176.9	0	0	0	0	108.7	V151 N152 I153 G154 H188 I189 V192 N218	V151-V181 HydrophobicContact CG1-CG2 3.98Å; N152-V181 PolarHBondContact O-N 3.41Å; I153-V181 WeakPolarHBondContact CA-O 3.48Å; I153-V181 HydrophobicContact CG1-CB 4.44Å; G154-V181 PolarHBondContact N-O 2.97Å; V181-H188 HydrophobicContact CG1-CB 4.44Å; V181-I189 HydrophobicContact CG1-CB 3.97Å; V181-I189 HydrophobicContact CG1-CD1 4.13Å; V181-I189 HydrophobicContact CG2-CD1 4.06Å; V181-V192 HydrophobicContact CG2-CB 4.08Å; V181-V192 HydrophobicContact CG2-CG1 4.42Å; V181-V192 HydrophobicContact CG2-CG2 3.65Å; V181-N218 HydrophobicContact CG1-CB 4.32Å
182	S	98.6	Very high	98.8	Very high	20 Å²	20	49 Å²	49	14%	0.14	27%	0.266	C	S	.	.			trans	-134.5	-55	-176.2	57.4	0	0	0	0	114	G154 D159 H188 N218	G154-S182 WeakPolarHBondContact O-CA 3.43Å; G154-S182 WeakPolarHBondContact O-CB 3.38Å; D159-S182 VanDerWaalsContact CG-CB 3.44Å; D159-S182 WeakPolarHBondContact OD2-CB 3.39Å; D159-S182 PolarHBondContact OD2-OG 2.84Å; D159-S182 VanDerWaalsContact OD2-OG 3.13Å; S182-H188 PolarHBondContact N-CE1 3.42Å; S182-H188 PolarHBondContact N-ND1 2.99Å; S182-H188 VanDerWaalsContact N-ND1 3.15Å; S182-H188 PolarHBondContact OG-CE1 3.26Å; S182-N218 PolarHBondContact O-ND2 2.97Å
183	N	98.3	Very high	98.8	Very high	82 Å²	82	47.2 Å²	47.2	44%	0.439	26%	0.261	S	S	.	.			trans	-54.3	140.7	178.4	-159.3	-19.5	0	0	0	112.8	D185 H188 N218	N183-D185 VanDerWaalsContact C-N 3.3Å; N183-D185 PolarHBondContact OD1-N 3.46Å; N183-H188 HydrophobicContact CB-CB 4.18Å; N183-H188 PolarHBondContact N-ND1 2.89Å; N183-H188 VanDerWaalsContact N-ND1 3.16Å; N183-N218 PolarHBondContact O-ND2 2.64Å
184	V	98.4	Very high	98.8	Very high	66 Å²	66	50.4 Å²	50.4	40%	0.4	27%	0.274	S	S	.	.	S	Bend	trans	-79.5	-13.8	174	71.9	0	0	0	0	112.6	G186 E214 T217	V184-G186 PolarHBondContact O-N 2.87Å; V184-E214 HydrophobicContact CB-CB 3.94Å; V184-E214 HydrophobicContact CB-CG 3.79Å; V184-E214 HydrophobicContact CG1-CG 4.19Å; V184-E214 HydrophobicContact CG2-CB 4.38Å; V184-E214 HydrophobicContact CG2-CG 4.35Å; V184-T217 HydrophobicContact CG2-CG2 4.39Å
185	D	98.6	Very high	98.8	Very high	85 Å²	85	55.6 Å²	55.6	46%	0.455	30%	0.295	S	S	.	.	S	Bend	trans	-52.6	115.4	163.7	178.9	-8	0	0	0	109.1	N183 T187 H188	N183-D185 VanDerWaalsContact C-N 3.3Å; N183-D185 PolarHBondContact OD1-N 3.46Å; D185-T187 PolarHBondContact O-N 3.13Å; D185-T187 VanDerWaalsContact OD1-CB 3.25Å; D185-T187 WeakPolarHBondContact OD1-CB 3.2Å; D185-T187 PolarHBondContact OD1-N 2.97Å; D185-T187 PolarHBondContact OD1-OG1 3.27Å; D185-H188 PolarHBondContact O-N 2.71Å
186	G	98.7	Very high	98.8	Very high	44 Å²	44	51.2 Å²	51.2	45%	0.454	28%	0.276	S	S	.	.	H	α-helix	trans	-56.9	-19.6	-176	0	0	0	0	0	113.6	V184 H188 I189 A190	V184-G186 PolarHBondContact O-N 2.87Å; G186-H188 PolarHBondContact O-N 3.48Å; G186-I189 WeakPolarHBondContact O-CG2 3.25Å; G186-A190 WeakPolarHBondContact O-CB 3.43Å; G186-A190 PolarHBondContact O-N 3.31Å
187	T	98.9	Very high	98.8	Very high	80 Å²	80	54.2 Å²	54.2	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-53.4	-41.5	171	-56.4	0	0	0	0	111.8	D185 A190 E191	D185-T187 PolarHBondContact O-N 3.13Å; D185-T187 VanDerWaalsContact OD1-CB 3.25Å; D185-T187 WeakPolarHBondContact OD1-CB 3.2Å; D185-T187 PolarHBondContact OD1-N 2.97Å; D185-T187 PolarHBondContact OD1-OG1 3.27Å; T187-A190 PolarHBondContact O-N 3.29Å; T187-E191 HydrophobicContact CG2-CG 4.12Å; T187-E191 WeakPolarHBondContact O-CB 3.4Å; T187-E191 WeakPolarHBondContact O-CG 3.38Å; T187-E191 PolarHBondContact O-N 3.04Å
188	H	98.8	Very high	98.8	Very high	60 Å²	60	51.5 Å²	51.5	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-65.4	-51.2	-171.5	-161.6	-179.1	0	0	0	112	F180 V181 S182 N183 D185 G186	F180-H188 PolarHBondContact O-NE2 2.87Å; V181-H188 HydrophobicContact CG1-CB 4.44Å; S182-H188 PolarHBondContact N-CE1 3.42Å; S182-H188 PolarHBondContact N-ND1 2.99Å; S182-H188 VanDerWaalsContact N-ND1 3.15Å; S182-H188 PolarHBondContact OG-CE1 3.26Å; N183-H188 HydrophobicContact CB-CB 4.18Å; N183-H188 PolarHBondContact N-ND1 2.89Å; N183-H188 VanDerWaalsContact N-ND1 3.16Å; D185-H188 PolarHBondContact O-N 2.71Å; G186-H188 PolarHBondContact O-N 3.48Å
189	I	98.9	Very high	98.8	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-68.4	-39.6	175.8	-172.6	58.3	0	0	0	111.2	V181 G186 E191 V192 L193 A222	V181-I189 HydrophobicContact CG1-CB 3.97Å; V181-I189 HydrophobicContact CG1-CD1 4.13Å; V181-I189 HydrophobicContact CG2-CD1 4.06Å; G186-I189 WeakPolarHBondContact O-CG2 3.25Å; I189-E191 PolarHBondContact O-N 2.9Å; I189-V192 PolarHBondContact O-N 2.91Å; I189-L193 HydrophobicContact CD1-CD1 4.15Å; I189-L193 HydrophobicContact CD1-CD2 4.2Å; I189-L193 HydrophobicContact CD1-CG 3.93Å; I189-L193 HydrophobicContact CG1-CD1 3.76Å; I189-L193 HydrophobicContact CG1-CG 4Å; I189-L193 VanDerWaalsContact O-CG 3.3Å; I189-L193 WeakPolarHBondContact O-CG 3.16Å; I189-L193 PolarHBondContact O-N 3.3Å; I189-A222 HydrophobicContact CD1-CB 4.3Å
190	A	98.8	Very high	98.8	Very high	39 Å²	39	50.8 Å²	50.8	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-41.5	-178.6	0	0	0	0	0	112.7	G186 T187 V192 L193 K194	G186-A190 WeakPolarHBondContact O-CB 3.43Å; G186-A190 PolarHBondContact O-N 3.31Å; T187-A190 PolarHBondContact O-N 3.29Å; A190-V192 VanDerWaalsContact C-N 3.31Å; A190-V192 PolarHBondContact O-N 2.97Å; A190-L193 PolarHBondContact O-N 2.93Å; A190-K194 VanDerWaalsContact O-CG 3.24Å; A190-K194 WeakPolarHBondContact O-CG 2.95Å; A190-K194 PolarHBondContact O-N 3.3Å; A190-K194 VanDerWaalsContact O-N 3.15Å
191	E	98.9	Very high	98.8	Very high	78 Å²	78	50 Å²	50	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-67.2	-30.2	178.6	-76.3	-58.6	128.6	0	0	113.3	T187 I189 K194 K195	T187-E191 HydrophobicContact CG2-CG 4.12Å; T187-E191 WeakPolarHBondContact O-CB 3.4Å; T187-E191 WeakPolarHBondContact O-CG 3.38Å; T187-E191 PolarHBondContact O-N 3.04Å; I189-E191 PolarHBondContact O-N 2.9Å; E191-K194 IonicContact OE1-NZ 3.34Å; E191-K194 PolarHBondContact OE1-NZ 3.28Å; E191-K195 WeakPolarHBondContact O-CD 3.2Å; E191-K195 WeakPolarHBondContact O-CE 3.37Å; E191-K195 WeakPolarHBondContact O-CG 3.46Å
192	V	98.9	Very high	98.8	Very high	13 Å²	13	50 Å²	50	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-74.5	-48.3	173.2	174.4	0	0	0	0	110.6	V151 H179 V181 I189 A190 K194 K195 V196	V151-V192 HydrophobicContact CG1-CG1 3.98Å; V151-V192 HydrophobicContact CG2-CG1 3.8Å; H179-V192 HydrophobicContact CB-CG1 3.81Å; H179-V192 HydrophobicContact CB-CG2 4.31Å; V181-V192 HydrophobicContact CG2-CB 4.08Å; V181-V192 HydrophobicContact CG2-CG1 4.42Å; V181-V192 HydrophobicContact CG2-CG2 3.65Å; I189-V192 PolarHBondContact O-N 2.91Å; A190-V192 VanDerWaalsContact C-N 3.31Å; A190-V192 PolarHBondContact O-N 2.97Å; V192-K194 PolarHBondContact O-N 3.22Å; V192-K194 VanDerWaalsContact O-N 3.15Å; V192-K195 PolarHBondContact O-N 3.1Å; V192-V196 HydrophobicContact CG1-CG1 4.28Å; V192-V196 PolarHBondContact O-N 3.07Å
193	L	98.8	Very high	98.8	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-24	-177.9	-66.4	-178.3	0	0	0	113.6	I189 A190 K195 V196 F203 W225	I189-L193 HydrophobicContact CD1-CD1 4.15Å; I189-L193 HydrophobicContact CD1-CD2 4.2Å; I189-L193 HydrophobicContact CD1-CG 3.93Å; I189-L193 HydrophobicContact CG1-CD1 3.76Å; I189-L193 HydrophobicContact CG1-CG 4Å; I189-L193 VanDerWaalsContact O-CG 3.3Å; I189-L193 WeakPolarHBondContact O-CG 3.16Å; I189-L193 PolarHBondContact O-N 3.3Å; A190-L193 PolarHBondContact O-N 2.93Å; L193-K195 VanDerWaalsContact C-N 3.26Å; L193-K195 PolarHBondContact O-N 3.06Å; L193-V196 HydrophobicContact CD2-CG2 4.36Å; L193-F203 HydrophobicContact CD2-CE1 3.96Å; L193-F203 HydrophobicContact CD2-CZ 3.79Å; L193-W225 HydrophobicContact CB-CD2 4.46Å; L193-W225 HydrophobicContact CB-CG 4.48Å; L193-W225 HydrophobicContact CD1-CB 3.81Å; L193-W225 HydrophobicContact CD1-CD2 4.21Å; L193-W225 HydrophobicContact CD1-CG 3.77Å; L193-W225 HydrophobicContact CD2-CD2 3.79Å; L193-W225 HydrophobicContact CD2-CE3 3.76Å; L193-W225 HydrophobicContact CD2-CG 4.26Å; L193-W225 HydrophobicContact CD2-CH2 4.3Å; L193-W225 HydrophobicContact CD2-CZ2 4.33Å; L193-W225 HydrophobicContact CD2-CZ3 4.04Å; L193-W225 HydrophobicContact CG-CD2 4.36Å; L193-W225 HydrophobicContact CG-CG 4.39Å
194	K	98.7	Very high	98.8	Very high	148 Å²	148	45.2 Å²	45.2	64%	0.643	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.7	172.1	-73.7	168.7	-167.7	176.8	0	113.9	A190 E191 V192	A190-K194 VanDerWaalsContact O-CG 3.24Å; A190-K194 WeakPolarHBondContact O-CG 2.95Å; A190-K194 PolarHBondContact O-N 3.3Å; A190-K194 VanDerWaalsContact O-N 3.15Å; E191-K194 IonicContact OE1-NZ 3.34Å; E191-K194 PolarHBondContact OE1-NZ 3.28Å; V192-K194 PolarHBondContact O-N 3.22Å; V192-K194 VanDerWaalsContact O-N 3.15Å
195	K	98.8	Very high	98.8	Very high	147 Å²	147	42 Å²	42	64%	0.639	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-18.8	-171.6	-63.9	171.5	-169.8	169.3	0	113.4	E191 V192 L193	E191-K195 WeakPolarHBondContact O-CD 3.2Å; E191-K195 WeakPolarHBondContact O-CE 3.37Å; E191-K195 WeakPolarHBondContact O-CG 3.46Å; V192-K195 PolarHBondContact O-N 3.1Å; L193-K195 VanDerWaalsContact C-N 3.26Å; L193-K195 PolarHBondContact O-N 3.06Å
196	V	98.9	Very high	98.8	Very high	14 Å²	14	38 Å²	38	9%	0.085	20%	0.204	C	C	.	.	S	Bend	trans	-111.9	159.7	-170	-54.1	0	0	0	0	111.8	D149 V192 L193 T201 W225	D149-V196 HydrophobicContact CB-CB 4.39Å; D149-V196 HydrophobicContact CB-CG1 4.09Å; V192-V196 HydrophobicContact CG1-CG1 4.28Å; V192-V196 PolarHBondContact O-N 3.07Å; L193-V196 HydrophobicContact CD2-CG2 4.36Å; V196-T201 HydrophobicContact CB-CG2 4.35Å; V196-T201 WeakPolarHBondContact CB-OG1 3.37Å; V196-T201 HydrophobicContact CG2-CG2 4.15Å; V196-W225 HydrophobicContact CG2-CH2 3.89Å; V196-W225 HydrophobicContact CG2-CZ2 4.29Å
197	N	98.8	Very high	98.7	Very high	64 Å²	64	36 Å²	36	34%	0.342	18%	0.184	S	C	.	.			trans	-109.9	126.4	-175.5	-177.3	-20.5	0	0	0	111.2	E199 T200 T201	N197-E199 PolarHBondContact O-N 3.06Å; N197-E199 WeakPolarHBondContact OD1-CB 3.2Å; N197-E199 PolarHBondContact OD1-N 3.21Å; N197-T200 PolarHBondContact O-N 3.34Å; N197-T201 PolarHBondContact N-OG1 3.11Å; N197-T201 PolarHBondContact O-N 3.16Å; N197-T201 VanDerWaalsContact O-N 3.11Å; N197-T201 PolarHBondContact O-OG1 3.24Å
198	P	98.8	Very high	98.3	Very high	22 Å²	22	35 Å²	35	14%	0.143	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.9	178.5	-23.1	29	0	0	0	114.3	W225 F226 A229 H239	P198-W225 HydrophobicContact CB-CH2 3.93Å; P198-W225 HydrophobicContact CB-CZ3 4Å; P198-W225 VanDerWaalsContact CD-CZ2 3.49Å; P198-W225 HydrophobicContact CG-CE3 4.4Å; P198-W225 HydrophobicContact CG-CH2 3.39Å; P198-W225 HydrophobicContact CG-CZ2 3.52Å; P198-W225 HydrophobicContact CG-CZ3 3.84Å; P198-W225 VanDerWaalsContact N-CH2 3.31Å; P198-F226 HydrophobicContact CB-CD2 4.19Å; P198-F226 WeakPolarHBondContact O-CE2 3.21Å; P198-A229 HydrophobicContact CB-CB 3.72Å; P198-A229 HydrophobicContact CG-CB 3.64Å; P198-H239 PolarHBondContact O-CE1 2.91Å; P198-H239 PolarHBondContact O-ND1 3.33Å
199	E	98.8	Very high	97.9	Very high	45 Å²	45	35.3 Å²	35.3	21%	0.21	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.8	-179.3	-62.6	-172.7	-120	0	0	114.6	Y142 T143 K145 N197 H239	Y142-E199 HydrophobicContact CE1-CB 4.28Å; Y142-E199 HydrophobicContact CE1-CG 3.79Å; T143-E199 WeakPolarHBondContact CB-OE2 3.49Å; T143-E199 HydrophobicContact CG2-CB 4.38Å; T143-E199 HydrophobicContact CG2-CG 3.7Å; T143-E199 VanDerWaalsContact CG2-OE2 3.27Å; T143-E199 WeakPolarHBondContact CG2-OE2 3.32Å; T143-E199 PolarHBondContact OG1-OE2 3.12Å; K145-E199 HydrophobicContact CD-CB 4.3Å; K145-E199 WeakPolarHBondContact CD-OE2 3.42Å; K145-E199 WeakPolarHBondContact CE-OE2 3.31Å; K145-E199 VanDerWaalsContact NZ-CD 3.29Å; K145-E199 IonicContact NZ-OE1 3.27Å; K145-E199 PolarHBondContact NZ-OE1 3.39Å; K145-E199 IonicContact NZ-OE2 2.69Å; K145-E199 PolarHBondContact NZ-OE2 3.28Å; N197-E199 PolarHBondContact O-N 3.06Å; N197-E199 WeakPolarHBondContact OD1-CB 3.2Å; N197-E199 PolarHBondContact OD1-N 3.21Å; E199-H239 PolarHBondContact O-CE1 3.49Å
200	T	98.9	Very high	97.8	Very high	13 Å²	13	35.2 Å²	35.2	8%	0.08	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.9	12.2	-170.8	63.6	0	0	0	0	113.9	K145 A146 I147 T148 D149 N197	K145-T200 HydrophobicContact CB-CG2 3.73Å; K145-T200 HydrophobicContact CD-CG2 3.99Å; A146-T200 WeakPolarHBondContact O-CB 3.33Å; A146-T200 WeakPolarHBondContact O-CG2 3.33Å; I147-T200 CarbonylContact C-O 3.59Å; I147-T200 WeakPolarHBondContact CA-O 3.16Å; I147-T200 WeakPolarHBondContact CG2-O 3.08Å; T148-T200 HydrophobicContact CG2-CG2 4.4Å; T148-T200 PolarHBondContact N-O 3Å; T148-T200 VanDerWaalsContact OG1-CB 3.3Å; T148-T200 WeakPolarHBondContact OG1-CB 3.46Å; T148-T200 PolarHBondContact OG1-O 3.19Å; T148-T200 PolarHBondContact OG1-OG1 2.71Å; D149-T200 PolarHBondContact N-O 3.02Å; N197-T200 PolarHBondContact O-N 3.34Å
201	T	98.9	Very high	97.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.2	178.2	-56.1	0	0	0	0	112.2	D149 V151 V196 N197 F203 H239	D149-T201 HydrophobicContact CB-CG2 4.22Å; D149-T201 CarbonylContact O-C 3.57Å; D149-T201 WeakPolarHBondContact O-CA 3.43Å; V151-T201 HydrophobicContact CB-CG2 4.49Å; V151-T201 HydrophobicContact CG2-CG2 3.6Å; V196-T201 HydrophobicContact CB-CG2 4.35Å; V196-T201 WeakPolarHBondContact CB-OG1 3.37Å; V196-T201 HydrophobicContact CG2-CG2 4.15Å; N197-T201 PolarHBondContact N-OG1 3.11Å; N197-T201 PolarHBondContact O-N 3.16Å; N197-T201 VanDerWaalsContact O-N 3.11Å; N197-T201 PolarHBondContact O-OG1 3.24Å; T201-F203 HydrophobicContact CG2-CD2 4.14Å; T201-F203 HydrophobicContact CG2-CE1 4.16Å; T201-F203 HydrophobicContact CG2-CE2 3.63Å; T201-F203 HydrophobicContact CG2-CZ 3.64Å; T201-H239 PolarHBondContact O-ND1 2.98Å
202	L	98.9	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.3	166.9	172	66.4	0	0	0	109.6	F130 I134 I147 D149 V150 V151 L204 L283	F130-L202 HydrophobicContact CE1-CD2 3.92Å; F130-L202 HydrophobicContact CZ-CD1 4.36Å; F130-L202 HydrophobicContact CZ-CD2 3.88Å; I134-L202 HydrophobicContact CD1-CD2 3.83Å; I134-L202 HydrophobicContact CG1-CD2 4.14Å; I134-L202 HydrophobicContact CG2-CD2 4.43Å; I147-L202 HydrophobicContact CD1-CB 4.45Å; I147-L202 HydrophobicContact CG1-CB 4.48Å; I147-L202 HydrophobicContact CG2-CB 3.81Å; D149-L202 PolarHBondContact O-N 3.05Å; V150-L202 CarbonylContact C-O 3.58Å; V150-L202 VanDerWaalsContact CA-O 3.31Å; V150-L202 WeakPolarHBondContact CA-O 3.5Å; V150-L202 HydrophobicContact CG2-CB 4.49Å; V151-L202 PolarHBondContact N-O 3.14Å; L202-L204 HydrophobicContact CD2-CD2 4.1Å; L202-L204 HydrophobicContact CG-CD2 4.22Å; L202-L283 HydrophobicContact CD2-CD1 3.98Å
203	F	98.9	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134	173.8	-65.3	-87.9	0	0	0	110.6	V151 I153 L193 T201 A222 W225 H239 F240 A241	V151-F203 HydrophobicContact CB-CD1 3.57Å; V151-F203 HydrophobicContact CB-CE1 3.74Å; V151-F203 HydrophobicContact CB-CG 4.46Å; V151-F203 HydrophobicContact CG1-CD1 3.87Å; V151-F203 HydrophobicContact CG1-CE1 3.92Å; V151-F203 HydrophobicContact CG2-CD1 4.17Å; V151-F203 HydrophobicContact CG2-CE1 3.86Å; V151-F203 HydrophobicContact CG2-CZ 4.5Å; V151-F203 WeakPolarHBondContact O-CA 3.08Å; I153-F203 HydrophobicContact CD1-CD1 3.93Å; L193-F203 HydrophobicContact CD2-CE1 3.96Å; L193-F203 HydrophobicContact CD2-CZ 3.79Å; T201-F203 HydrophobicContact CG2-CD2 4.14Å; T201-F203 HydrophobicContact CG2-CE1 4.16Å; T201-F203 HydrophobicContact CG2-CE2 3.63Å; T201-F203 HydrophobicContact CG2-CZ 3.64Å; F203-A222 HydrophobicContact CD1-CB 4.02Å; F203-A222 HydrophobicContact CE1-CB 3.83Å; F203-A222 HydrophobicContact CZ-CB 4.27Å; F203-W225 AromaticContact CE2-CZ3 3.99Å; F203-W225 HydrophobicContact CE2-CZ3 3.99Å; F203-W225 HydrophobicContact CZ-CE3 4.21Å; F203-W225 AromaticContact CZ-CZ3 3.8Å; F203-W225 HydrophobicContact CZ-CZ3 3.8Å; F203-H239 PolarHBondContact N-O 3.04Å; F203-F240 HydrophobicContact CB-CD1 3.51Å; F203-F240 HydrophobicContact CB-CE1 3.54Å; F203-F240 HydrophobicContact CB-CG 4.13Å; F203-F240 HydrophobicContact CB-CZ 4.17Å; F203-F240 HydrophobicContact CD1-CE1 4.46Å; F203-F240 HydrophobicContact CD2-CD1 4.37Å; F203-F240 HydrophobicContact CD2-CD2 4.44Å; F203-F240 AromaticContact CD2-CE1 3.81Å; F203-F240 HydrophobicContact CD2-CE1 3.81Å; F203-F240 AromaticContact CD2-CE2 3.88Å; F203-F240 HydrophobicContact CD2-CE2 3.88Å; F203-F240 AromaticContact CD2-CZ 3.52Å; F203-F240 HydrophobicContact CD2-CZ 3.52Å; F203-F240 HydrophobicContact CE2-CE2 4.48Å; F203-F240 HydrophobicContact CE2-CZ 4.08Å; F203-F240 HydrophobicContact CG-CD1 4.17Å; F203-F240 AromaticContact CG-CE1 3.69Å; F203-F240 HydrophobicContact CG-CE1 3.69Å; F203-F240 AromaticContact CG-CZ 3.9Å; F203-F240 HydrophobicContact CG-CZ 3.9Å; F203-F240 WeakPolarHBondContact O-CA 3.4Å; F203-A241 PolarHBondContact O-N 3.28Å
204	L	98.9	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.8	171.8	-56.4	-177.1	0	0	0	109.1	V150 V151 I153 L202 A206 A241 L279 L283	V150-L204 HydrophobicContact CG1-CD1 4.03Å; V150-L204 HydrophobicContact CG1-CG 4.1Å; V151-L204 PolarHBondContact O-N 2.84Å; I153-L204 PolarHBondContact N-O 3.49Å; L202-L204 HydrophobicContact CD2-CD2 4.1Å; L202-L204 HydrophobicContact CG-CD2 4.22Å; L204-A206 PolarHBondContact O-N 3.23Å; L204-A241 HydrophobicContact CD2-CB 3.85Å; L204-L279 HydrophobicContact CD1-CB 4.3Å; L204-L279 HydrophobicContact CD1-CD2 4.37Å; L204-L279 HydrophobicContact CD1-CG 4.21Å; L204-L279 HydrophobicContact CD2-CD2 4Å; L204-L283 HydrophobicContact CD1-CD1 3.97Å; L204-L283 HydrophobicContact CD2-CD1 4.44Å
205	V	98.8	Very high	97.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	99.7	177.7	-173.3	0	0	0	0	108.9	F210 T215 M216 A219 F240 A241 L243	V205-F210 HydrophobicContact CB-CE2 3.75Å; V205-F210 HydrophobicContact CB-CZ 4.06Å; V205-F210 HydrophobicContact CG1-CD2 4.25Å; V205-F210 HydrophobicContact CG1-CE2 3.41Å; V205-F210 VanDerWaalsContact CG1-CE2 3.41Å; V205-F210 HydrophobicContact CG1-CZ 3.76Å; V205-T215 HydrophobicContact CG1-CG2 4.1Å; V205-M216 HydrophobicContact CG1-SD 4.12Å; V205-A219 HydrophobicContact CG1-CB 3.87Å; V205-A219 HydrophobicContact CG2-CB 3.91Å; V205-F240 HydrophobicContact CG2-CD1 4.2Å; V205-A241 PolarHBondContact N-O 3.3Å; V205-L243 PolarHBondContact O-N 3.48Å
206	A	98.5	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	97.2	-173.1	0	0	0	0	0	111.2	I153 S158 L204 L243 I277	I153-A206 PolarHBondContact O-N 3.02Å; S158-A206 WeakPolarHBondContact CB-O 3.39Å; L204-A206 PolarHBondContact O-N 3.23Å; A206-L243 HydrophobicContact CB-CB 4.27Å; A206-L243 HydrophobicContact CB-CD1 3.79Å; A206-L243 HydrophobicContact CB-CG 4.27Å; A206-I277 HydrophobicContact CB-CD1 4.14Å
207	S	96.8	Very high	97.2	Very high	3 Å²	3	30 Å²	30	2%	0.021	16%	0.163	C	C	.	.			trans	-160.7	115	-179.4	164.6	0	0	0	0	110.4	T209 F210 T212 L243 S244	S207-T209 VanDerWaalsContact C-N 3.34Å; S207-T209 PolarHBondContact O-N 3.25Å; S207-F210 PolarHBondContact O-N 3.07Å; S207-F210 WeakPolarHBondContact OG-CA 3.48Å; S207-F210 PolarHBondContact OG-N 3.26Å; S207-T212 PolarHBondContact OG-OG1 2.9Å; S207-L243 CarbonylContact C-O 3.29Å; S207-L243 PolarHBondContact N-O 3.15Å; S207-S244 VanDerWaalsContact O-CB 3.28Å; S207-S244 WeakPolarHBondContact O-CB 3.42Å; S207-S244 PolarHBondContact O-OG 3.33Å; S207-S244 VanDerWaalsContact O-OG 3.11Å
208	K	90	Very high	97.2	Very high	58 Å²	58	27 Å²	27	25%	0.252	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-52	180	-172.6	179	177.7	-178.2	0	112.7	F210 S244 T245 F263 D265	K208-F210 VanDerWaalsContact C-N 3.34Å; K208-S244 PolarHBondContact O-OG 3.11Å; K208-T245 HydrophobicContact CG-CG2 4.44Å; K208-T245 PolarHBondContact O-N 3.33Å; K208-T245 VanDerWaalsContact O-N 3.16Å; K208-T245 PolarHBondContact O-OG1 3Å; K208-T245 VanDerWaalsContact O-OG1 3.13Å; K208-F263 HydrophobicContact CB-CE2 3.75Å; K208-F263 HydrophobicContact CB-CZ 3.49Å; K208-F263 VanDerWaalsContact CB-CZ 3.49Å; K208-F263 HydrophobicContact CD-CE2 3.95Å; K208-F263 HydrophobicContact CG-CE2 3.69Å; K208-F263 HydrophobicContact CG-CZ 3.85Å; K208-D265 VanDerWaalsContact NZ-CA 3.34Å
209	T	90.2	Very high	97.2	Very high	66 Å²	66	26 Å²	26	41%	0.405	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.7	-176.5	60.9	0	0	0	0	112.8	S207 T211 N246	S207-T209 VanDerWaalsContact C-N 3.34Å; S207-T209 PolarHBondContact O-N 3.25Å; T209-T211 VanDerWaalsContact CB-OG1 3.27Å; T209-T211 WeakPolarHBondContact CB-OG1 3.48Å; T209-T211 PolarHBondContact O-N 3.03Å; T209-T211 PolarHBondContact OG1-N 3.24Å; T209-T211 PolarHBondContact OG1-OG1 2.78Å; T209-N246 PolarHBondContact O-ND2 3.28Å
210	F	95.9	Very high	97.2	Very high	6 Å²	6	28 Å²	28	3%	0.026	15%	0.15	C	C	.	.	S	Bend	trans	55.1	27.5	-167.2	-138	-113.1	0	0	0	114.3	V205 S207 K208 M216 A242 N246 A249 V250 F253 I255	V205-F210 HydrophobicContact CB-CE2 3.75Å; V205-F210 HydrophobicContact CB-CZ 4.06Å; V205-F210 HydrophobicContact CG1-CD2 4.25Å; V205-F210 HydrophobicContact CG1-CE2 3.41Å; V205-F210 VanDerWaalsContact CG1-CE2 3.41Å; V205-F210 HydrophobicContact CG1-CZ 3.76Å; S207-F210 PolarHBondContact O-N 3.07Å; S207-F210 WeakPolarHBondContact OG-CA 3.48Å; S207-F210 PolarHBondContact OG-N 3.26Å; K208-F210 VanDerWaalsContact C-N 3.34Å; F210-M216 HydrophobicContact CD1-CE 3.81Å; F210-M216 HydrophobicContact CD1-SD 4.17Å; F210-M216 HydrophobicContact CD2-SD 4.39Å; F210-M216 HydrophobicContact CE1-CE 3.69Å; F210-M216 HydrophobicContact CE1-SD 4.33Å; F210-M216 HydrophobicContact CG-CE 4.43Å; F210-M216 HydrophobicContact CG-SD 4.2Å; F210-M216 HydrophobicContact CZ-CE 4.22Å; F210-A242 HydrophobicContact CE2-CB 3.78Å; F210-A242 HydrophobicContact CZ-CB 4.25Å; F210-N246 HydrophobicContact CB-CB 3.97Å; F210-A249 HydrophobicContact CB-CB 4.2Å; F210-A249 HydrophobicContact CD1-CB 3.88Å; F210-A249 HydrophobicContact CG-CB 4.5Å; F210-V250 HydrophobicContact CD1-CG2 3.91Å; F210-V250 HydrophobicContact CD2-CG2 3.79Å; F210-V250 HydrophobicContact CE1-CB 4.41Å; F210-V250 HydrophobicContact CE1-CG2 3.93Å; F210-V250 HydrophobicContact CE2-CG2 3.82Å; F210-V250 HydrophobicContact CG-CG2 3.83Å; F210-V250 HydrophobicContact CZ-CG2 3.9Å; F210-F253 HydrophobicContact CE1-CB 3.88Å; F210-F253 HydrophobicContact CE1-CD2 4.25Å; F210-F253 HydrophobicContact CE1-CG 4.16Å; F210-F253 HydrophobicContact CZ-CB 4.48Å; F210-F253 HydrophobicContact CZ-CG 4.44Å; F210-I255 HydrophobicContact CZ-CD1 3.94Å
211	T	95.3	Very high	97.2	Very high	94 Å²	94	29.8 Å²	29.8	58%	0.577	16%	0.163	S	C	*	.			trans	-134.8	2	-177.8	59.2	0	0	0	0	113.7	T209 Q213	T209-T211 VanDerWaalsContact CB-OG1 3.27Å; T209-T211 WeakPolarHBondContact CB-OG1 3.48Å; T209-T211 PolarHBondContact O-N 3.03Å; T209-T211 PolarHBondContact OG1-N 3.24Å; T209-T211 PolarHBondContact OG1-OG1 2.78Å; T211-Q213 PolarHBondContact O-N 3.35Å
212	T	94.4	Very high	97.2	Very high	40 Å²	40	29.7 Å²	29.7	25%	0.245	16%	0.162	C	C	.	.			trans	-59	121.5	178.5	-56.5	0	0	0	0	110.1	I155 S207 E214 T215 M216	I155-T212 HydrophobicContact CG2-CG2 3.78Å; S207-T212 PolarHBondContact OG-OG1 2.9Å; T212-E214 WeakPolarHBondContact CG2-OE2 3.4Å; T212-E214 PolarHBondContact O-N 2.93Å; T212-T215 PolarHBondContact O-N 3.01Å; T212-M216 WeakPolarHBondContact O-CB 3.36Å; T212-M216 WeakPolarHBondContact O-CG 3.45Å; T212-M216 PolarHBondContact O-N 3.46Å
213	Q	96.5	Very high	97.1	Very high	81 Å²	81	31.5 Å²	31.5	38%	0.379	17%	0.169	S	C	.	.	H	α-helix	trans	-55.3	-49	-168.6	179.8	178	98	0	0	112.2	T211 T217 N518	T211-Q213 PolarHBondContact O-N 3.35Å; Q213-T217 VanDerWaalsContact O-CB 3.27Å; Q213-T217 WeakPolarHBondContact O-CB 3.35Å; Q213-T217 PolarHBondContact O-N 3.02Å; Q213-T217 PolarHBondContact O-OG1 3.06Å; Q213-N518 PolarHBondContact NE2-OD1 3.45Å
214	E	97.7	Very high	97.1	Very high	47 Å²	47	35.6 Å²	35.6	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-54	-178.4	-57.1	88.1	162.1	0	0	110.7	I155 V184 T212 M216 T217 N218	I155-E214 HydrophobicContact CD1-CB 3.83Å; I155-E214 HydrophobicContact CD1-CG 3.78Å; V184-E214 HydrophobicContact CB-CB 3.94Å; V184-E214 HydrophobicContact CB-CG 3.79Å; V184-E214 HydrophobicContact CG1-CG 4.19Å; V184-E214 HydrophobicContact CG2-CB 4.38Å; V184-E214 HydrophobicContact CG2-CG 4.35Å; T212-E214 WeakPolarHBondContact CG2-OE2 3.4Å; T212-E214 PolarHBondContact O-N 2.93Å; E214-M216 PolarHBondContact O-N 3.36Å; E214-T217 PolarHBondContact O-N 3.1Å; E214-N218 PolarHBondContact O-N 3.27Å; E214-N218 VanDerWaalsContact O-N 3.09Å; E214-N218 PolarHBondContact O-ND2 3.29Å
215	T	98.3	Very high	97.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-46.8	179.2	-54.7	0	0	0	0	111.9	I153 V205 T212 N218 A219	I153-T215 HydrophobicContact CG2-CG2 4.11Å; I153-T215 WeakPolarHBondContact O-CG2 3.45Å; V205-T215 HydrophobicContact CG1-CG2 4.1Å; T212-T215 PolarHBondContact O-N 3.01Å; T215-N218 PolarHBondContact O-N 3.44Å; T215-A219 WeakPolarHBondContact O-CB 3.22Å; T215-A219 PolarHBondContact O-N 2.7Å
216	M	98.5	Very high	97.1	Very high	20 Å²	20	38.4 Å²	38.4	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-73.4	-33.2	-176.1	-64.6	-48.4	-62.4	0	0	112.3	V205 F210 T212 E214 N218 A219 H220 F253	V205-M216 HydrophobicContact CG1-SD 4.12Å; F210-M216 HydrophobicContact CD1-CE 3.81Å; F210-M216 HydrophobicContact CD1-SD 4.17Å; F210-M216 HydrophobicContact CD2-SD 4.39Å; F210-M216 HydrophobicContact CE1-CE 3.69Å; F210-M216 HydrophobicContact CE1-SD 4.33Å; F210-M216 HydrophobicContact CG-CE 4.43Å; F210-M216 HydrophobicContact CG-SD 4.2Å; F210-M216 HydrophobicContact CZ-CE 4.22Å; T212-M216 WeakPolarHBondContact O-CB 3.36Å; T212-M216 WeakPolarHBondContact O-CG 3.45Å; T212-M216 PolarHBondContact O-N 3.46Å; E214-M216 PolarHBondContact O-N 3.36Å; M216-N218 VanDerWaalsContact C-N 3.34Å; M216-A219 PolarHBondContact O-N 3.2Å; M216-H220 WeakPolarHBondContact O-CB 3.39Å; M216-H220 PolarHBondContact O-CD2 3.37Å; M216-H220 PolarHBondContact O-N 3.41Å; M216-F253 HydrophobicContact CE-CD2 3.93Å; M216-F253 HydrophobicContact CE-CE2 4.15Å
217	T	98.6	Very high	97.1	Very high	66 Å²	66	40 Å²	40	41%	0.405	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-44.4	172.5	-58.7	0	0	0	0	110.8	V184 Q213 E214 S221	V184-T217 HydrophobicContact CG2-CG2 4.39Å; Q213-T217 VanDerWaalsContact O-CB 3.27Å; Q213-T217 WeakPolarHBondContact O-CB 3.35Å; Q213-T217 PolarHBondContact O-N 3.02Å; Q213-T217 PolarHBondContact O-OG1 3.06Å; E214-T217 PolarHBondContact O-N 3.1Å; T217-S221 WeakPolarHBondContact O-CB 3.45Å; T217-S221 PolarHBondContact O-N 3.29Å; T217-S221 PolarHBondContact O-OG 2.77Å
218	N	98.9	Very high	97.2	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.011	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-44.2	174.3	-78.2	-37.7	0	0	0	112.1	I153 V181 S182 N183 E214 T215 M216 S221 A222	I153-N218 HydrophobicContact CG2-CB 3.55Å; V181-N218 HydrophobicContact CG1-CB 4.32Å; S182-N218 PolarHBondContact O-ND2 2.97Å; N183-N218 PolarHBondContact O-ND2 2.64Å; E214-N218 PolarHBondContact O-N 3.27Å; E214-N218 VanDerWaalsContact O-N 3.09Å; E214-N218 PolarHBondContact O-ND2 3.29Å; T215-N218 PolarHBondContact O-N 3.44Å; M216-N218 VanDerWaalsContact C-N 3.34Å; N218-S221 PolarHBondContact O-N 2.93Å; N218-A222 PolarHBondContact O-N 3.2Å
219	A	98.8	Very high	97.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-44.3	179.5	0	0	0	0	0	112.1	V205 T215 M216 A222 R223 F253	V205-A219 HydrophobicContact CG1-CB 3.87Å; V205-A219 HydrophobicContact CG2-CB 3.91Å; T215-A219 WeakPolarHBondContact O-CB 3.22Å; T215-A219 PolarHBondContact O-N 2.7Å; M216-A219 PolarHBondContact O-N 3.2Å; A219-A222 PolarHBondContact O-N 2.85Å; A219-R223 WeakPolarHBondContact O-CB 3.18Å; A219-R223 PolarHBondContact O-N 2.92Å; A219-F253 HydrophobicContact CB-CE2 3.85Å; A219-F253 HydrophobicContact CB-CZ 3.9Å
220	H	98.7	Very high	98	Very high	89 Å²	89	45.8 Å²	45.8	41%	0.412	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-40.5	174.4	-75.3	-59.9	0	0	0	111.8	M216 A222 R223 D224 F253	M216-H220 WeakPolarHBondContact O-CB 3.39Å; M216-H220 PolarHBondContact O-CD2 3.37Å; M216-H220 PolarHBondContact O-N 3.41Å; H220-A222 VanDerWaalsContact C-N 3.33Å; H220-A222 PolarHBondContact O-N 2.76Å; H220-R223 PolarHBondContact O-N 2.67Å; H220-D224 WeakPolarHBondContact O-CB 3.44Å; H220-D224 VanDerWaalsContact O-CG 3.26Å; H220-D224 PolarHBondContact O-N 3.44Å; H220-F253 AromaticContact CE1-CD2 3.72Å; H220-F253 AromaticContact CE1-CE2 3.81Å; H220-F253 AromaticContact ND1-CE2 3.73Å
221	S	98.9	Very high	98.1	Very high	49 Å²	49	48.5 Å²	48.5	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-41.2	175.2	-59.9	0	0	0	0	112.3	T217 N218 W225	T217-S221 WeakPolarHBondContact O-CB 3.45Å; T217-S221 PolarHBondContact O-N 3.29Å; T217-S221 PolarHBondContact O-OG 2.77Å; N218-S221 PolarHBondContact O-N 2.93Å; S221-W225 WeakPolarHBondContact O-CB 3.5Å; S221-W225 PolarHBondContact O-N 3.04Å; S221-W225 VanDerWaalsContact O-N 3.07Å
222	A	98.9	Very high	98.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-43.1	173.9	0	0	0	0	0	112.2	I153 I189 F203 N218 A219 H220 W225 F226 F240	I153-A222 HydrophobicContact CD1-CB 3.94Å; I189-A222 HydrophobicContact CD1-CB 4.3Å; F203-A222 HydrophobicContact CD1-CB 4.02Å; F203-A222 HydrophobicContact CE1-CB 3.83Å; F203-A222 HydrophobicContact CZ-CB 4.27Å; N218-A222 PolarHBondContact O-N 3.2Å; A219-A222 PolarHBondContact O-N 2.85Å; H220-A222 VanDerWaalsContact C-N 3.33Å; H220-A222 PolarHBondContact O-N 2.76Å; A222-W225 PolarHBondContact O-N 3.28Å; A222-F226 WeakPolarHBondContact O-CB 3.37Å; A222-F226 PolarHBondContact O-N 3.31Å; A222-F240 HydrophobicContact CB-CE1 4.25Å; A222-F240 HydrophobicContact CB-CZ 4.33Å
223	R	98.7	Very high	98.3	Very high	39 Å²	39	51.3 Å²	51.3	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-45.3	176.5	-176.1	-178.8	-179.1	-83.3	0.3	111.4	A219 H220 W225 F226 L227 E233 V236 F240 F253	A219-R223 WeakPolarHBondContact O-CB 3.18Å; A219-R223 PolarHBondContact O-N 2.92Å; H220-R223 PolarHBondContact O-N 2.67Å; R223-W225 PolarHBondContact O-N 3.46Å; R223-F226 PolarHBondContact O-N 3.24Å; R223-L227 HydrophobicContact CG-CD1 3.96Å; R223-L227 HydrophobicContact CG-CG 4.36Å; R223-L227 VanDerWaalsContact NH1-CD1 3.35Å; R223-L227 WeakPolarHBondContact O-CB 3.34Å; R223-L227 VanDerWaalsContact O-CG 3.31Å; R223-L227 WeakPolarHBondContact O-CG 3.28Å; R223-L227 PolarHBondContact O-N 2.92Å; R223-E233 IonicContact NH2-OE2 2.87Å; R223-V236 HydrophobicContact CG-CG2 4.29Å; R223-F240 HydrophobicContact CB-CZ 4.22Å; R223-F253 HydrophobicContact CB-CE1 4.25Å; R223-F253 HydrophobicContact CB-CZ 3.84Å; R223-F253 HydrophobicContact CG-CE1 4.36Å; R223-F253 HydrophobicContact CG-CZ 4.34Å; R223-F253 PolarHBondContact NE-O 3.46Å
224	D	98.7	Very high	98.3	Very high	86 Å²	86	53.9 Å²	53.9	46%	0.46	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-42.9	178.5	-71.7	-7.4	0	0	0	111.5	H220 K228	H220-D224 WeakPolarHBondContact O-CB 3.44Å; H220-D224 VanDerWaalsContact O-CG 3.26Å; H220-D224 PolarHBondContact O-N 3.44Å; D224-K228 VanDerWaalsContact O-CG 3.31Å; D224-K228 WeakPolarHBondContact O-CG 3.42Å; D224-K228 PolarHBondContact O-N 3.2Å; D224-K228 VanDerWaalsContact O-N 3.12Å
225	W	98.8	Very high	98.3	Very high	58 Å²	58	53.4 Å²	53.4	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-44.4	173.1	169.7	92.2	0	0	0	112	L193 V196 P198 F203 S221 A222 R223 K228	L193-W225 HydrophobicContact CB-CD2 4.46Å; L193-W225 HydrophobicContact CB-CG 4.48Å; L193-W225 HydrophobicContact CD1-CB 3.81Å; L193-W225 HydrophobicContact CD1-CD2 4.21Å; L193-W225 HydrophobicContact CD1-CG 3.77Å; L193-W225 HydrophobicContact CD2-CD2 3.79Å; L193-W225 HydrophobicContact CD2-CE3 3.76Å; L193-W225 HydrophobicContact CD2-CG 4.26Å; L193-W225 HydrophobicContact CD2-CH2 4.3Å; L193-W225 HydrophobicContact CD2-CZ2 4.33Å; L193-W225 HydrophobicContact CD2-CZ3 4.04Å; L193-W225 HydrophobicContact CG-CD2 4.36Å; L193-W225 HydrophobicContact CG-CG 4.39Å; V196-W225 HydrophobicContact CG2-CH2 3.89Å; V196-W225 HydrophobicContact CG2-CZ2 4.29Å; P198-W225 HydrophobicContact CB-CH2 3.93Å; P198-W225 HydrophobicContact CB-CZ3 4Å; P198-W225 VanDerWaalsContact CD-CZ2 3.49Å; P198-W225 HydrophobicContact CG-CE3 4.4Å; P198-W225 HydrophobicContact CG-CH2 3.39Å; P198-W225 HydrophobicContact CG-CZ2 3.52Å; P198-W225 HydrophobicContact CG-CZ3 3.84Å; P198-W225 VanDerWaalsContact N-CH2 3.31Å; F203-W225 AromaticContact CE2-CZ3 3.99Å; F203-W225 HydrophobicContact CE2-CZ3 3.99Å; F203-W225 HydrophobicContact CZ-CE3 4.21Å; F203-W225 AromaticContact CZ-CZ3 3.8Å; F203-W225 HydrophobicContact CZ-CZ3 3.8Å; S221-W225 WeakPolarHBondContact O-CB 3.5Å; S221-W225 PolarHBondContact O-N 3.04Å; S221-W225 VanDerWaalsContact O-N 3.07Å; A222-W225 PolarHBondContact O-N 3.28Å; R223-W225 PolarHBondContact O-N 3.46Å; W225-K228 PolarHBondContact O-N 3.49Å
226	F	98.8	Very high	98.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-46.5	179.2	171.8	-99	0	0	0	111.5	Y142 P198 A222 R223 K228 A229 A230 H235 V236 H239 F240	Y142-F226 HydrophobicContact CD1-CE2 4.07Å; Y142-F226 HydrophobicContact CD1-CZ 4.2Å; Y142-F226 HydrophobicContact CE1-CE2 4.34Å; P198-F226 HydrophobicContact CB-CD2 4.19Å; P198-F226 WeakPolarHBondContact O-CE2 3.21Å; A222-F226 WeakPolarHBondContact O-CB 3.37Å; A222-F226 PolarHBondContact O-N 3.31Å; R223-F226 PolarHBondContact O-N 3.24Å; F226-K228 VanDerWaalsContact C-N 3.3Å; F226-K228 PolarHBondContact O-N 3.45Å; F226-A229 PolarHBondContact O-N 3.49Å; F226-A230 HydrophobicContact CD1-CB 4.15Å; F226-A230 HydrophobicContact CE1-CB 3.62Å; F226-A230 HydrophobicContact CE2-CB 4.04Å; F226-A230 HydrophobicContact CZ-CB 3.55Å; F226-A230 PolarHBondContact O-N 2.82Å; F226-H235 HydrophobicContact CE1-CB 3.98Å; F226-H235 HydrophobicContact CZ-CB 3.88Å; F226-V236 HydrophobicContact CD1-CG2 4.27Å; F226-V236 HydrophobicContact CE1-CG2 4.21Å; F226-H239 HydrophobicContact CD2-CB 4.23Å; F226-H239 HydrophobicContact CE2-CB 3.71Å; F226-H239 AromaticContact CE2-CD2 3.35Å; F226-H239 WeakPolarHBondContact CE2-CD2 3.36Å; F226-H239 AromaticContact CE2-CG 3.35Å; F226-H239 AromaticContact CE2-ND1 3.86Å; F226-H239 AromaticContact CE2-NE2 3.89Å; F226-H239 HydrophobicContact CZ-CB 3.89Å; F226-H239 AromaticContact CZ-CD2 3.34Å; F226-H239 WeakPolarHBondContact CZ-CD2 3.48Å; F226-H239 AromaticContact CZ-CG 3.67Å; F226-F240 HydrophobicContact CB-CE2 4.09Å; F226-F240 HydrophobicContact CB-CZ 4.32Å; F226-F240 HydrophobicContact CD1-CE2 4.03Å; F226-F240 AromaticContact CG-CE2 3.96Å; F226-F240 HydrophobicContact CG-CE2 3.96Å
227	L	98.6	Very high	98.3	Very high	33 Å²	33	53.7 Å²	53.7	17%	0.173	29%	0.29	C	S	.	.	H	α-helix	trans	-67.6	-28.1	-178.6	-69.7	176.5	0	0	0	113.3	R223 A229 G231 E233 V236	R223-L227 HydrophobicContact CG-CD1 3.96Å; R223-L227 HydrophobicContact CG-CG 4.36Å; R223-L227 VanDerWaalsContact NH1-CD1 3.35Å; R223-L227 WeakPolarHBondContact O-CB 3.34Å; R223-L227 VanDerWaalsContact O-CG 3.31Å; R223-L227 WeakPolarHBondContact O-CG 3.28Å; R223-L227 PolarHBondContact O-N 2.92Å; L227-A229 PolarHBondContact O-N 2.96Å; L227-G231 WeakPolarHBondContact O-CA 3.34Å; L227-G231 PolarHBondContact O-N 3.21Å; L227-E233 HydrophobicContact CD2-CB 4.24Å; L227-V236 HydrophobicContact CD2-CG2 3.86Å; L227-V236 HydrophobicContact CG-CG2 4.41Å
228	K	98.6	Very high	98.3	Very high	186 Å²	186	54.7 Å²	54.7	81%	0.809	29%	0.288	S	S	*	.	H	α-helix	trans	-59.5	-27	170.6	-75.4	171	-173.8	178.4	0	112.7	D224 W225 F226	D224-K228 VanDerWaalsContact O-CG 3.31Å; D224-K228 WeakPolarHBondContact O-CG 3.42Å; D224-K228 PolarHBondContact O-N 3.2Å; D224-K228 VanDerWaalsContact O-N 3.12Å; W225-K228 PolarHBondContact O-N 3.49Å; F226-K228 VanDerWaalsContact C-N 3.3Å; F226-K228 PolarHBondContact O-N 3.45Å
229	A	98.4	Very high	98.3	Very high	50 Å²	50	54.6 Å²	54.6	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-98.4	-43.3	177.2	0	0	0	0	0	113.1	Y142 P198 F226 L227	Y142-A229 PolarHBondContact OH-O 2.93Å; P198-A229 HydrophobicContact CB-CB 3.72Å; P198-A229 HydrophobicContact CG-CB 3.64Å; F226-A229 PolarHBondContact O-N 3.49Å; L227-A229 PolarHBondContact O-N 2.96Å
230	A	98.3	Very high	98.3	Very high	13 Å²	13	54.7 Å²	54.7	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-80.6	-24.2	-175.6	0	0	0	0	0	113.8	Y142 F226 D232 H235	Y142-A230 HydrophobicContact CD1-CB 4.24Å; Y142-A230 HydrophobicContact CD2-CB 4.2Å; Y142-A230 HydrophobicContact CE1-CB 4.08Å; Y142-A230 HydrophobicContact CE2-CB 4.03Å; Y142-A230 HydrophobicContact CG-CB 4.3Å; F226-A230 HydrophobicContact CD1-CB 4.15Å; F226-A230 HydrophobicContact CE1-CB 3.62Å; F226-A230 HydrophobicContact CE2-CB 4.04Å; F226-A230 HydrophobicContact CZ-CB 3.55Å; F226-A230 PolarHBondContact O-N 2.82Å; A230-D232 PolarHBondContact O-N 2.97Å; A230-H235 HydrophobicContact CB-CB 4.14Å
231	G	98.1	Very high	98.3	Very high	63 Å²	63	50.5 Å²	50.5	65%	0.649	27%	0.269	S	S	*	.			trans	74.5	-63.6	179.4	0	0	0	0	0	114.1	L227	L227-G231 WeakPolarHBondContact O-CA 3.34Å; L227-G231 PolarHBondContact O-N 3.21Å
232	D	96.9	Very high	98.3	Very high	67 Å²	67	48.1 Å²	48.1	36%	0.358	25%	0.253	S	S	.	.	S	Bend	trans	-89	128.9	-175	-169.5	-27.8	0	0	0	111.7	A230 K234 H235	A230-D232 PolarHBondContact O-N 2.97Å; D232-K234 HydrophobicContact CB-CG 4.27Å; D232-K234 PolarHBondContact O-N 2.93Å; D232-K234 WeakPolarHBondContact OD1-CG 3.48Å; D232-K234 PolarHBondContact OD1-N 3.36Å; D232-K234 WeakPolarHBondContact OD2-CD 3.46Å; D232-K234 WeakPolarHBondContact OD2-CE 3.14Å; D232-K234 IonicContact OD2-NZ 2.69Å; D232-K234 PolarHBondContact OD2-NZ 3.18Å; D232-H235 WeakPolarHBondContact O-CB 3.39Å; D232-H235 PolarHBondContact O-CD2 3.12Å; D232-H235 PolarHBondContact O-N 2.89Å; D232-H235 VanDerWaalsContact O-N 3.12Å
233	E	97.2	Very high	98.2	Very high	127 Å²	127	48.1 Å²	48.1	59%	0.593	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-65.3	-21	-178.3	67.7	177.9	-179.3	0	0	114.4	R223 L227 H235 V236	R223-E233 IonicContact NH2-OE2 2.87Å; L227-E233 HydrophobicContact CD2-CB 4.24Å; E233-H235 PolarHBondContact O-N 2.98Å; E233-V236 VanDerWaalsContact O-CB 3.31Å; E233-V236 WeakPolarHBondContact O-CB 3.27Å; E233-V236 VanDerWaalsContact O-CG2 3.27Å; E233-V236 WeakPolarHBondContact O-CG2 3.46Å; E233-V236 PolarHBondContact O-N 2.95Å
234	K	96.7	Very high	98	Very high	135 Å²	135	46.3 Å²	46.3	59%	0.587	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58.7	-20.9	173.4	78.8	-169.3	175.3	-145.8	0	112.7	D232 V236	D232-K234 HydrophobicContact CB-CG 4.27Å; D232-K234 PolarHBondContact O-N 2.93Å; D232-K234 WeakPolarHBondContact OD1-CG 3.48Å; D232-K234 PolarHBondContact OD1-N 3.36Å; D232-K234 WeakPolarHBondContact OD2-CD 3.46Å; D232-K234 WeakPolarHBondContact OD2-CE 3.14Å; D232-K234 IonicContact OD2-NZ 2.69Å; D232-K234 PolarHBondContact OD2-NZ 3.18Å; K234-V236 VanDerWaalsContact C-N 3.29Å
235	H	98.1	Very high	97.7	Very high	37 Å²	37	45.3 Å²	45.3	17%	0.171	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-76.6	-14.6	178.8	-63.8	-44.2	0	0	0	113.3	Y142 F226 A230 D232 E233 A237 K238	Y142-H235 HydrophobicContact CG-CB 4.35Å; F226-H235 HydrophobicContact CE1-CB 3.98Å; F226-H235 HydrophobicContact CZ-CB 3.88Å; A230-H235 HydrophobicContact CB-CB 4.14Å; D232-H235 WeakPolarHBondContact O-CB 3.39Å; D232-H235 PolarHBondContact O-CD2 3.12Å; D232-H235 PolarHBondContact O-N 2.89Å; D232-H235 VanDerWaalsContact O-N 3.12Å; E233-H235 PolarHBondContact O-N 2.98Å; H235-A237 VanDerWaalsContact C-N 3.28Å; H235-A237 PolarHBondContact O-N 3.2Å; H235-K238 PolarHBondContact O-N 2.89Å; H235-K238 VanDerWaalsContact O-N 3.12Å
236	V	98.2	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.6	-42.4	175.8	174.1	0	0	0	0	110.8	R223 F226 L227 E233 K234 K238 H239 F240 F253 G254	R223-V236 HydrophobicContact CG-CG2 4.29Å; F226-V236 HydrophobicContact CD1-CG2 4.27Å; F226-V236 HydrophobicContact CE1-CG2 4.21Å; L227-V236 HydrophobicContact CD2-CG2 3.86Å; L227-V236 HydrophobicContact CG-CG2 4.41Å; E233-V236 VanDerWaalsContact O-CB 3.31Å; E233-V236 WeakPolarHBondContact O-CB 3.27Å; E233-V236 VanDerWaalsContact O-CG2 3.27Å; E233-V236 WeakPolarHBondContact O-CG2 3.46Å; E233-V236 PolarHBondContact O-N 2.95Å; K234-V236 VanDerWaalsContact C-N 3.29Å; V236-K238 PolarHBondContact O-N 2.91Å; V236-H239 PolarHBondContact O-N 3.28Å; V236-F240 HydrophobicContact CB-CD2 4.44Å; V236-F240 HydrophobicContact CG1-CB 4.08Å; V236-F240 HydrophobicContact CG1-CD2 3.73Å; V236-F240 HydrophobicContact CG1-CE2 4.47Å; V236-F240 HydrophobicContact CG1-CG 4.04Å; V236-F240 PolarHBondContact O-N 2.91Å; V236-F253 HydrophobicContact CG1-CD1 4.34Å; V236-F253 HydrophobicContact CG1-CE1 4.39Å; V236-G254 WeakPolarHBondContact CG1-O 3.35Å
237	A	97.3	Very high	97.3	Very high	27 Å²	27	47.2 Å²	47.2	22%	0.223	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-59.5	-19.6	179.9	0	0	0	0	0	114.4	H235 G254 D256	H235-A237 VanDerWaalsContact C-N 3.28Å; H235-A237 PolarHBondContact O-N 3.2Å; A237-G254 PolarHBondContact N-O 3.46Å; A237-D256 HydrophobicContact CB-CB 4.14Å
238	K	98.2	Very high	97.2	Very high	87 Å²	87	52.8 Å²	52.8	38%	0.378	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-87.9	-16.7	176	-71.7	-171.2	169.5	-163.9	0	114.2	W139 H235 V236	W139-K238 PolarHBondContact NE1-O 3.37Å; H235-K238 PolarHBondContact O-N 2.89Å; H235-K238 VanDerWaalsContact O-N 3.12Å; V236-K238 PolarHBondContact O-N 2.91Å
239	H	98.8	Very high	97.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-2.6	-170	-72.9	-88	0	0	0	113.4	G141 Y142 P198 E199 T201 F203 F226 V236	G141-H239 VanDerWaalsContact CA-CE1 3.49Å; G141-H239 WeakPolarHBondContact CA-CE1 3.45Å; G141-H239 WeakPolarHBondContact CA-NE2 3.33Å; Y142-H239 AromaticContact CD1-NE2 3.54Å; Y142-H239 PolarHBondContact N-NE2 2.94Å; P198-H239 PolarHBondContact O-CE1 2.91Å; P198-H239 PolarHBondContact O-ND1 3.33Å; E199-H239 PolarHBondContact O-CE1 3.49Å; T201-H239 PolarHBondContact O-ND1 2.98Å; F203-H239 PolarHBondContact N-O 3.04Å; F226-H239 HydrophobicContact CD2-CB 4.23Å; F226-H239 HydrophobicContact CE2-CB 3.71Å; F226-H239 AromaticContact CE2-CD2 3.35Å; F226-H239 WeakPolarHBondContact CE2-CD2 3.36Å; F226-H239 AromaticContact CE2-CG 3.35Å; F226-H239 AromaticContact CE2-ND1 3.86Å; F226-H239 AromaticContact CE2-NE2 3.89Å; F226-H239 HydrophobicContact CZ-CB 3.89Å; F226-H239 AromaticContact CZ-CD2 3.34Å; F226-H239 WeakPolarHBondContact CZ-CD2 3.48Å; F226-H239 AromaticContact CZ-CG 3.67Å; V236-H239 PolarHBondContact O-N 3.28Å
240	F	98.8	Very high	97	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.3	179.3	-69.4	-101.2	0	0	0	110.6	F203 V205 A222 R223 F226 V236 F253 I255	F203-F240 HydrophobicContact CB-CD1 3.51Å; F203-F240 HydrophobicContact CB-CE1 3.54Å; F203-F240 HydrophobicContact CB-CG 4.13Å; F203-F240 HydrophobicContact CB-CZ 4.17Å; F203-F240 HydrophobicContact CD1-CE1 4.46Å; F203-F240 HydrophobicContact CD2-CD1 4.37Å; F203-F240 HydrophobicContact CD2-CD2 4.44Å; F203-F240 AromaticContact CD2-CE1 3.81Å; F203-F240 HydrophobicContact CD2-CE1 3.81Å; F203-F240 AromaticContact CD2-CE2 3.88Å; F203-F240 HydrophobicContact CD2-CE2 3.88Å; F203-F240 AromaticContact CD2-CZ 3.52Å; F203-F240 HydrophobicContact CD2-CZ 3.52Å; F203-F240 HydrophobicContact CE2-CE2 4.48Å; F203-F240 HydrophobicContact CE2-CZ 4.08Å; F203-F240 HydrophobicContact CG-CD1 4.17Å; F203-F240 AromaticContact CG-CE1 3.69Å; F203-F240 HydrophobicContact CG-CE1 3.69Å; F203-F240 AromaticContact CG-CZ 3.9Å; F203-F240 HydrophobicContact CG-CZ 3.9Å; F203-F240 WeakPolarHBondContact O-CA 3.4Å; V205-F240 HydrophobicContact CG2-CD1 4.2Å; A222-F240 HydrophobicContact CB-CE1 4.25Å; A222-F240 HydrophobicContact CB-CZ 4.33Å; R223-F240 HydrophobicContact CB-CZ 4.22Å; F226-F240 HydrophobicContact CB-CE2 4.09Å; F226-F240 HydrophobicContact CB-CZ 4.32Å; F226-F240 HydrophobicContact CD1-CE2 4.03Å; F226-F240 AromaticContact CG-CE2 3.96Å; F226-F240 HydrophobicContact CG-CE2 3.96Å; V236-F240 HydrophobicContact CB-CD2 4.44Å; V236-F240 HydrophobicContact CG1-CB 4.08Å; V236-F240 HydrophobicContact CG1-CD2 3.73Å; V236-F240 HydrophobicContact CG1-CE2 4.47Å; V236-F240 HydrophobicContact CG1-CG 4.04Å; V236-F240 PolarHBondContact O-N 2.91Å; F240-F253 AromaticContact CD1-CE1 3.69Å; F240-F253 HydrophobicContact CD1-CE1 3.69Å; F240-F253 HydrophobicContact CD1-CZ 4.22Å; F240-F253 HydrophobicContact CE1-CE1 4.1Å; F240-F253 HydrophobicContact CE1-CZ 4.26Å; F240-F253 HydrophobicContact CG-CE1 4.14Å; F240-I255 HydrophobicContact CB-CD1 3.96Å; F240-I255 HydrophobicContact CB-CG1 3.55Å
241	A	98.8	Very high	97	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	158.1	168	0	0	0	0	0	109.7	F130 F203 L204 V205 N259 F261	F130-A241 HydrophobicContact CZ-CB 4.18Å; F203-A241 PolarHBondContact O-N 3.28Å; L204-A241 HydrophobicContact CD2-CB 3.85Å; V205-A241 PolarHBondContact N-O 3.3Å; A241-N259 HydrophobicContact CB-CB 4.06Å; A241-F261 HydrophobicContact CB-CE2 4.29Å
242	A	98.7	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.9	-175.6	0	0	0	0	0	111.8	F210 V250 I255 N259 M260 F261	F210-A242 HydrophobicContact CE2-CB 3.78Å; F210-A242 HydrophobicContact CZ-CB 4.25Å; A242-V250 HydrophobicContact CB-CB 4.34Å; A242-V250 HydrophobicContact CB-CG1 3.66Å; A242-V250 HydrophobicContact CB-CG2 3.64Å; A242-I255 HydrophobicContact CB-CD1 3.99Å; A242-I255 HydrophobicContact CB-CG2 4.37Å; A242-N259 PolarHBondContact N-O 3.13Å; A242-M260 HydrophobicContact CB-CG 4.31Å; A242-M260 CarbonylContact O-C 3.59Å; A242-M260 WeakPolarHBondContact O-CA 3.32Å; A242-F261 PolarHBondContact O-N 3.07Å
243	L	98.3	Very high	97	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	93.3	169.8	-38	175.8	0	0	0	106.4	V205 A206 S207 F261 A276 I277 L279	V205-L243 PolarHBondContact O-N 3.48Å; A206-L243 HydrophobicContact CB-CB 4.27Å; A206-L243 HydrophobicContact CB-CD1 3.79Å; A206-L243 HydrophobicContact CB-CG 4.27Å; S207-L243 CarbonylContact C-O 3.29Å; S207-L243 PolarHBondContact N-O 3.15Å; L243-F261 WeakPolarHBondContact CA-O 3.38Å; L243-F261 HydrophobicContact CD2-CB 3.91Å; L243-F261 HydrophobicContact CD2-CD2 4.02Å; L243-F261 HydrophobicContact CD2-CG 4.25Å; L243-A276 WeakPolarHBondContact CD1-O 3.44Å; L243-I277 HydrophobicContact CB-CD1 3.97Å; L243-I277 HydrophobicContact CD1-CD1 4.42Å; L243-L279 HydrophobicContact CD1-CB 4.36Å; L243-L279 HydrophobicContact CD2-CB 3.87Å; L243-L279 HydrophobicContact CD2-CD2 3.72Å; L243-L279 HydrophobicContact CD2-CG 4.45Å
244	S	94.9	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-164.6	168.2	-161.4	-177	0	0	0	0	112.4	S207 K208 N246 F261 E262	S207-S244 VanDerWaalsContact O-CB 3.28Å; S207-S244 WeakPolarHBondContact O-CB 3.42Å; S207-S244 PolarHBondContact O-OG 3.33Å; S207-S244 VanDerWaalsContact O-OG 3.11Å; K208-S244 PolarHBondContact O-OG 3.11Å; S244-N246 PolarHBondContact OG-N 3.47Å; S244-N246 VanDerWaalsContact OG-N 3.14Å; S244-F261 PolarHBondContact N-O 3.48Å; S244-F261 VanDerWaalsContact N-O 3.1Å; S244-E262 WeakPolarHBondContact O-CA 3.45Å
245	T	90.8	Very high	97.1	Very high	65 Å²	65	33.4 Å²	33.4	40%	0.399	19%	0.192	S	C	.	.	S	Bend	trans	-112.1	1.2	170.9	64.4	0	0	0	0	113.4	K208 F263	K208-T245 HydrophobicContact CG-CG2 4.44Å; K208-T245 PolarHBondContact O-N 3.33Å; K208-T245 VanDerWaalsContact O-N 3.16Å; K208-T245 PolarHBondContact O-OG1 3Å; K208-T245 VanDerWaalsContact O-OG1 3.13Å; T245-F263 WeakPolarHBondContact CG2-O 3.41Å
246	N	93.8	Very high	97	Very high	51 Å²	51	35.5 Å²	35.5	27%	0.273	20%	0.204	S	C	.	.			trans	-104.1	76.1	-172.4	-169.9	-11.3	0	0	0	112.2	T209 F210 S244 K248 A249 V250	T209-N246 PolarHBondContact O-ND2 3.28Å; F210-N246 HydrophobicContact CB-CB 3.97Å; S244-N246 PolarHBondContact OG-N 3.47Å; S244-N246 VanDerWaalsContact OG-N 3.14Å; N246-K248 PolarHBondContact O-N 2.87Å; N246-K248 VanDerWaalsContact O-N 3.15Å; N246-A249 HydrophobicContact CB-CB 4.36Å; N246-A249 WeakPolarHBondContact ND2-CB 3.13Å; N246-A249 PolarHBondContact O-N 3.46Å; N246-A249 PolarHBondContact OD1-N 3.33Å; N246-V250 VanDerWaalsContact O-CG2 3.28Å; N246-V250 WeakPolarHBondContact O-CG2 3.37Å; N246-V250 PolarHBondContact O-N 2.91Å
247	A	95.3	Very high	96.9	Very high	48 Å²	48	38.7 Å²	38.7	40%	0.397	22%	0.224	S	C	.	.	H	α-helix	trans	-52.7	-38.4	-176.5	0	0	0	0	0	113.8	G251 M260	A247-G251 PolarHBondContact O-N 2.94Å; A247-M260 VanDerWaalsContact CA-SD 3.57Å; A247-M260 HydrophobicContact CB-CE 3.91Å; A247-M260 HydrophobicContact CB-SD 4.11Å
248	K	96.6	Very high	96.9	Very high	150 Å²	150	39.9 Å²	39.9	65%	0.652	23%	0.234	S	C	*	.	H	α-helix	trans	-64.2	-54.1	-179.9	-178.3	178.9	171.2	-178.6	0	111.4	N246 V250 G251 E252	N246-K248 PolarHBondContact O-N 2.87Å; N246-K248 VanDerWaalsContact O-N 3.15Å; K248-V250 VanDerWaalsContact C-N 3.28Å; K248-V250 PolarHBondContact O-N 3.3Å; K248-G251 PolarHBondContact O-N 3.09Å; K248-E252 WeakPolarHBondContact CE-OE1 3.42Å; K248-E252 IonicContact NZ-OE1 3.46Å; K248-E252 WeakPolarHBondContact O-CG 3.44Å; K248-E252 PolarHBondContact O-N 3.02Å
249	A	96.9	Very high	96.8	Very high	20 Å²	20	36.4 Å²	36.4	17%	0.165	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-32.5	-179.1	0	0	0	0	0	112.2	F210 N246 E252 F253	F210-A249 HydrophobicContact CB-CB 4.2Å; F210-A249 HydrophobicContact CD1-CB 3.88Å; F210-A249 HydrophobicContact CG-CB 4.5Å; N246-A249 HydrophobicContact CB-CB 4.36Å; N246-A249 WeakPolarHBondContact ND2-CB 3.13Å; N246-A249 PolarHBondContact O-N 3.46Å; N246-A249 PolarHBondContact OD1-N 3.33Å; A249-E252 PolarHBondContact O-N 2.94Å; A249-F253 PolarHBondContact O-N 3Å; A249-F253 VanDerWaalsContact O-N 3.08Å
250	V	97.2	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-46.7	173.3	170.9	0	0	0	0	111	F210 A242 N246 K248 F253 I255 T257 M260	F210-V250 HydrophobicContact CD1-CG2 3.91Å; F210-V250 HydrophobicContact CD2-CG2 3.79Å; F210-V250 HydrophobicContact CE1-CB 4.41Å; F210-V250 HydrophobicContact CE1-CG2 3.93Å; F210-V250 HydrophobicContact CE2-CG2 3.82Å; F210-V250 HydrophobicContact CG-CG2 3.83Å; F210-V250 HydrophobicContact CZ-CG2 3.9Å; A242-V250 HydrophobicContact CB-CB 4.34Å; A242-V250 HydrophobicContact CB-CG1 3.66Å; A242-V250 HydrophobicContact CB-CG2 3.64Å; N246-V250 VanDerWaalsContact O-CG2 3.28Å; N246-V250 WeakPolarHBondContact O-CG2 3.37Å; N246-V250 PolarHBondContact O-N 2.91Å; K248-V250 VanDerWaalsContact C-N 3.28Å; K248-V250 PolarHBondContact O-N 3.3Å; V250-F253 WeakPolarHBondContact O-CB 2.95Å; V250-F253 PolarHBondContact O-N 3.3Å; V250-I255 HydrophobicContact CG1-CB 3.67Å; V250-I255 HydrophobicContact CG1-CD1 4.37Å; V250-I255 HydrophobicContact CG1-CG2 3.56Å; V250-I255 PolarHBondContact O-N 3.35Å; V250-T257 HydrophobicContact CG1-CG2 4.46Å; V250-M260 HydrophobicContact CB-SD 4.25Å; V250-M260 HydrophobicContact CG1-CB 4.31Å; V250-M260 HydrophobicContact CG1-CG 4.43Å; V250-M260 HydrophobicContact CG1-SD 4.46Å; V250-M260 HydrophobicContact CG2-CG 4.32Å; V250-M260 HydrophobicContact CG2-SD 3.93Å
251	G	96.8	Very high	96.8	Very high	36 Å²	36	36.7 Å²	36.7	37%	0.371	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-43	175.6	0	0	0	0	0	112.9	A247 K248 F253 G254	A247-G251 PolarHBondContact O-N 2.94Å; K248-G251 PolarHBondContact O-N 3.09Å; G251-F253 PolarHBondContact O-N 2.87Å; G251-G254 WeakPolarHBondContact O-CA 3.26Å; G251-G254 PolarHBondContact O-N 3.22Å
252	E	97	Very high	96.6	Very high	136 Å²	136	41.3 Å²	41.3	64%	0.636	24%	0.242	S	C	*	.	H	α-helix	trans	-62.1	-28	176.5	-73.6	171.8	177	0	0	113	K248 A249 G254	K248-E252 WeakPolarHBondContact CE-OE1 3.42Å; K248-E252 IonicContact NZ-OE1 3.46Å; K248-E252 WeakPolarHBondContact O-CG 3.44Å; K248-E252 PolarHBondContact O-N 3.02Å; A249-E252 PolarHBondContact O-N 2.94Å; E252-G254 VanDerWaalsContact C-N 3.25Å; E252-G254 PolarHBondContact O-N 3.15Å
253	F	98.1	Very high	96.4	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.035	24%	0.244	C	C	.	.	H	α-helix	trans	-70.7	-21.7	172.9	-170.9	-83.8	0	0	0	112.8	F210 M216 A219 H220 R223 V236 F240 A249 V250 G251 I255	F210-F253 HydrophobicContact CE1-CB 3.88Å; F210-F253 HydrophobicContact CE1-CD2 4.25Å; F210-F253 HydrophobicContact CE1-CG 4.16Å; F210-F253 HydrophobicContact CZ-CB 4.48Å; F210-F253 HydrophobicContact CZ-CG 4.44Å; M216-F253 HydrophobicContact CE-CD2 3.93Å; M216-F253 HydrophobicContact CE-CE2 4.15Å; A219-F253 HydrophobicContact CB-CE2 3.85Å; A219-F253 HydrophobicContact CB-CZ 3.9Å; H220-F253 AromaticContact CE1-CD2 3.72Å; H220-F253 AromaticContact CE1-CE2 3.81Å; H220-F253 AromaticContact ND1-CE2 3.73Å; R223-F253 HydrophobicContact CB-CE1 4.25Å; R223-F253 HydrophobicContact CB-CZ 3.84Å; R223-F253 HydrophobicContact CG-CE1 4.36Å; R223-F253 HydrophobicContact CG-CZ 4.34Å; R223-F253 PolarHBondContact NE-O 3.46Å; V236-F253 HydrophobicContact CG1-CD1 4.34Å; V236-F253 HydrophobicContact CG1-CE1 4.39Å; F240-F253 AromaticContact CD1-CE1 3.69Å; F240-F253 HydrophobicContact CD1-CE1 3.69Å; F240-F253 HydrophobicContact CD1-CZ 4.22Å; F240-F253 HydrophobicContact CE1-CE1 4.1Å; F240-F253 HydrophobicContact CE1-CZ 4.26Å; F240-F253 HydrophobicContact CG-CE1 4.14Å; A249-F253 PolarHBondContact O-N 3Å; A249-F253 VanDerWaalsContact O-N 3.08Å; V250-F253 WeakPolarHBondContact O-CB 2.95Å; V250-F253 PolarHBondContact O-N 3.3Å; G251-F253 PolarHBondContact O-N 2.87Å; F253-I255 HydrophobicContact CD1-CD1 3.77Å; F253-I255 HydrophobicContact CD1-CG1 3.88Å; F253-I255 HydrophobicContact CE1-CD1 4.24Å; F253-I255 HydrophobicContact CE1-CG1 4.47Å; F253-I255 HydrophobicContact CG-CD1 4.47Å
254	G	97.6	Very high	96.3	Very high	27 Å²	27	43.5 Å²	43.5	28%	0.278	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.6	10.5	-176.4	0	0	0	0	0	114.3	V236 A237 G251 E252	V236-G254 WeakPolarHBondContact CG1-O 3.35Å; A237-G254 PolarHBondContact N-O 3.46Å; G251-G254 WeakPolarHBondContact O-CA 3.26Å; G251-G254 PolarHBondContact O-N 3.22Å; E252-G254 VanDerWaalsContact C-N 3.25Å; E252-G254 PolarHBondContact O-N 3.15Å
255	I	98.1	Very high	96.3	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	27%	0.27	C	S	.	.			trans	-80.8	133.8	172.3	-68.9	163.2	0	0	0	108.4	F210 F240 A242 V250 F253 T257 N259	F210-I255 HydrophobicContact CZ-CD1 3.94Å; F240-I255 HydrophobicContact CB-CD1 3.96Å; F240-I255 HydrophobicContact CB-CG1 3.55Å; A242-I255 HydrophobicContact CB-CD1 3.99Å; A242-I255 HydrophobicContact CB-CG2 4.37Å; V250-I255 HydrophobicContact CG1-CB 3.67Å; V250-I255 HydrophobicContact CG1-CD1 4.37Å; V250-I255 HydrophobicContact CG1-CG2 3.56Å; V250-I255 PolarHBondContact O-N 3.35Å; F253-I255 HydrophobicContact CD1-CD1 3.77Å; F253-I255 HydrophobicContact CD1-CG1 3.88Å; F253-I255 HydrophobicContact CE1-CD1 4.24Å; F253-I255 HydrophobicContact CE1-CG1 4.47Å; F253-I255 HydrophobicContact CG-CD1 4.47Å; I255-T257 PolarHBondContact O-N 3.46Å; I255-N259 HydrophobicContact CG2-CB 4.48Å
256	D	97.1	Very high	96.6	Very high	81 Å²	81	44.6 Å²	44.6	43%	0.433	25%	0.253	S	S	.	.			trans	-63.3	123	166.5	-175.5	-11.5	0	0	0	108.6	A237 A258 N259	A237-D256 HydrophobicContact CB-CB 4.14Å; D256-A258 PolarHBondContact O-N 3.49Å; D256-A258 VanDerWaalsContact O-N 3.14Å; D256-A258 VanDerWaalsContact OD1-CB 3.3Å; D256-A258 WeakPolarHBondContact OD1-CB 3.45Å; D256-A258 PolarHBondContact OD1-N 2.71Å; D256-N259 WeakPolarHBondContact O-CA 3.3Å; D256-N259 WeakPolarHBondContact O-CB 3.36Å; D256-N259 PolarHBondContact O-N 2.62Å
257	T	96.3	Very high	96.8	Very high	67 Å²	67	42.3 Å²	42.3	41%	0.411	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-65.4	-16.1	-179.2	55.1	0	0	0	0	112.4	V250 I255 N259 M260	V250-T257 HydrophobicContact CG1-CG2 4.46Å; I255-T257 PolarHBondContact O-N 3.46Å; T257-N259 PolarHBondContact O-N 2.85Å; T257-M260 VanDerWaalsContact O-CB 3.31Å; T257-M260 WeakPolarHBondContact O-CB 3.27Å; T257-M260 PolarHBondContact O-N 2.84Å
258	A	96.9	Very high	96.7	Very high	52 Å²	52	41 Å²	41	43%	0.43	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-59	-24.3	164.4	0	0	0	0	0	112.5	K126 D256	K126-A258 WeakPolarHBondContact CE-O 3.31Å; K126-A258 PolarHBondContact NZ-O 3.03Å; D256-A258 PolarHBondContact O-N 3.49Å; D256-A258 VanDerWaalsContact O-N 3.14Å; D256-A258 VanDerWaalsContact OD1-CB 3.3Å; D256-A258 WeakPolarHBondContact OD1-CB 3.45Å; D256-A258 PolarHBondContact OD1-N 2.71Å
259	N	96.8	Very high	96.6	Very high	14 Å²	14	35.5 Å²	35.5	8%	0.075	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-101.7	20.4	174.6	-54.8	-35.5	0	0	0	112.8	W139 A241 A242 I255 D256 T257 F261	W139-N259 WeakPolarHBondContact CH2-ND2 3.37Å; A241-N259 HydrophobicContact CB-CB 4.06Å; A242-N259 PolarHBondContact N-O 3.13Å; I255-N259 HydrophobicContact CG2-CB 4.48Å; D256-N259 WeakPolarHBondContact O-CA 3.3Å; D256-N259 WeakPolarHBondContact O-CB 3.36Å; D256-N259 PolarHBondContact O-N 2.62Å; T257-N259 PolarHBondContact O-N 2.85Å; N259-F261 WeakPolarHBondContact O-CD2 3.26Å; N259-F261 WeakPolarHBondContact O-CE2 3.42Å
260	M	98	Very high	96.6	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	123.9	165.6	-168.8	-179.9	76.2	0	0	109.7	K126 A242 A247 V250 T257 E262	K126-M260 PolarHBondContact NZ-O 3.21Å; A242-M260 HydrophobicContact CB-CG 4.31Å; A242-M260 CarbonylContact O-C 3.59Å; A242-M260 WeakPolarHBondContact O-CA 3.32Å; A247-M260 VanDerWaalsContact CA-SD 3.57Å; A247-M260 HydrophobicContact CB-CE 3.91Å; A247-M260 HydrophobicContact CB-SD 4.11Å; V250-M260 HydrophobicContact CB-SD 4.25Å; V250-M260 HydrophobicContact CG1-CB 4.31Å; V250-M260 HydrophobicContact CG1-CG 4.43Å; V250-M260 HydrophobicContact CG1-SD 4.46Å; V250-M260 HydrophobicContact CG2-CG 4.32Å; V250-M260 HydrophobicContact CG2-SD 3.93Å; T257-M260 VanDerWaalsContact O-CB 3.31Å; T257-M260 WeakPolarHBondContact O-CB 3.27Å; T257-M260 PolarHBondContact O-N 2.84Å; M260-E262 HydrophobicContact CE-CG 3.54Å; M260-E262 WeakPolarHBondContact CE-OE1 3.48Å
261	F	98.6	Very high	96.7	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113.7	178	-59.6	-96.5	0	0	0	108.6	K126 M127 F130 A241 A242 L243 S244 N259 A276 L279	K126-F261 HydrophobicContact CB-CD1 4.45Å; K126-F261 HydrophobicContact CB-CE1 4.24Å; K126-F261 HydrophobicContact CD-CD1 4.06Å; K126-F261 HydrophobicContact CD-CE1 4.04Å; K126-F261 HydrophobicContact CG-CD1 4.11Å; K126-F261 HydrophobicContact CG-CE1 3.69Å; M127-F261 HydrophobicContact CG-CD1 3.67Å; M127-F261 HydrophobicContact CG-CE1 4.1Å; F130-F261 HydrophobicContact CB-CE1 4.07Å; F130-F261 HydrophobicContact CB-CZ 3.66Å; F130-F261 HydrophobicContact CD1-CE2 4.33Å; F130-F261 AromaticContact CD1-CZ 3.82Å; F130-F261 HydrophobicContact CD1-CZ 3.82Å; F130-F261 AromaticContact CD2-CZ 3.97Å; F130-F261 HydrophobicContact CD2-CZ 3.97Å; F130-F261 HydrophobicContact CE1-CZ 4.46Å; F130-F261 HydrophobicContact CG-CE1 4.4Å; F130-F261 HydrophobicContact CG-CE2 4.31Å; F130-F261 AromaticContact CG-CZ 3.54Å; F130-F261 HydrophobicContact CG-CZ 3.54Å; A241-F261 HydrophobicContact CB-CE2 4.29Å; A242-F261 PolarHBondContact O-N 3.07Å; L243-F261 WeakPolarHBondContact CA-O 3.38Å; L243-F261 HydrophobicContact CD2-CB 3.91Å; L243-F261 HydrophobicContact CD2-CD2 4.02Å; L243-F261 HydrophobicContact CD2-CG 4.25Å; S244-F261 PolarHBondContact N-O 3.48Å; S244-F261 VanDerWaalsContact N-O 3.1Å; N259-F261 WeakPolarHBondContact O-CD2 3.26Å; N259-F261 WeakPolarHBondContact O-CE2 3.42Å; F261-A276 HydrophobicContact CB-CB 3.63Å; F261-A276 WeakPolarHBondContact O-CB 3.47Å; F261-L279 HydrophobicContact CD1-CD2 4.48Å; F261-L279 HydrophobicContact CD2-CD2 3.73Å; F261-L279 HydrophobicContact CE1-CD2 4.4Å; F261-L279 HydrophobicContact CE2-CD2 3.66Å; F261-L279 HydrophobicContact CG-CD2 4.17Å; F261-L279 HydrophobicContact CZ-CD2 4.02Å
262	E	96.1	Very high	96.8	Very high	98 Å²	98	33.1 Å²	33.1	46%	0.458	19%	0.194	S	C	.	.			trans	-88	158.1	-169.5	-59.2	-177.9	-141.5	0	0	112.2	S244 M260 A276	S244-E262 WeakPolarHBondContact O-CA 3.45Å; M260-E262 HydrophobicContact CE-CG 3.54Å; M260-E262 WeakPolarHBondContact CE-OE1 3.48Å; E262-A276 WeakPolarHBondContact O-CB 3.48Å
263	F	94	Very high	96.9	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.035	16%	0.164	C	C	.	.			trans	-152.6	165	168.7	59.9	-84.5	0	0	0	109.2	K208 T245 V267 A276 I277	K208-F263 HydrophobicContact CB-CE2 3.75Å; K208-F263 HydrophobicContact CB-CZ 3.49Å; K208-F263 VanDerWaalsContact CB-CZ 3.49Å; K208-F263 HydrophobicContact CD-CE2 3.95Å; K208-F263 HydrophobicContact CG-CE2 3.69Å; K208-F263 HydrophobicContact CG-CZ 3.85Å; T245-F263 WeakPolarHBondContact CG2-O 3.41Å; F263-V267 HydrophobicContact CB-CG2 4.43Å; F263-V267 HydrophobicContact CD2-CB 4.17Å; F263-V267 HydrophobicContact CD2-CG1 4.33Å; F263-A276 HydrophobicContact CD1-CB 4.27Å; F263-I277 HydrophobicContact CD1-CD1 4.48Å; F263-I277 HydrophobicContact CD1-CG1 4.35Å; F263-I277 HydrophobicContact CE1-CD1 3.76Å; F263-I277 HydrophobicContact CE1-CG1 4.03Å; F263-I277 HydrophobicContact CZ-CD1 3.93Å; F263-I277 HydrophobicContact CZ-CG1 4.16Å
264	W	96.5	Very high	96.9	Very high	38 Å²	38	26.4 Å²	26.4	14%	0.144	16%	0.163	C	C	.	.			trans	-104.2	172	-164.7	-51.4	-92.1	0	0	0	113.3	L101 E119 V120 V123 W266 V267	L101-W264 HydrophobicContact CD2-CE3 4.04Å; L101-W264 HydrophobicContact CD2-CZ3 3.57Å; E119-W264 HydrophobicContact CB-CZ2 3.54Å; E119-W264 PolarHBondContact OE2-NE1 3.19Å; V120-W264 VanDerWaalsContact CA-CH2 3.49Å; V120-W264 HydrophobicContact CB-CH2 4.2Å; V120-W264 HydrophobicContact CG2-CE3 4.44Å; V120-W264 HydrophobicContact CG2-CH2 3.73Å; V120-W264 HydrophobicContact CG2-CZ2 4.37Å; V120-W264 HydrophobicContact CG2-CZ3 3.72Å; V123-W264 HydrophobicContact CG2-CH2 4.14Å; V123-W264 HydrophobicContact CG2-CZ2 4.31Å; W264-W266 VanDerWaalsContact C-N 3.32Å; W264-W266 HydrophobicContact CB-CD2 3.82Å; W264-W266 HydrophobicContact CB-CG 4.07Å; W264-W266 HydrophobicContact CB-CZ2 3.74Å; W264-W266 AromaticContact CD2-CE2 3.86Å; W264-W266 AromaticContact CD2-CH2 3.79Å; W264-W266 HydrophobicContact CD2-CH2 3.79Å; W264-W266 AromaticContact CD2-CZ2 3.25Å; W264-W266 HydrophobicContact CD2-CZ2 3.25Å; W264-W266 AromaticContact CE3-CE2 3.97Å; W264-W266 AromaticContact CE3-CH2 3.11Å; W264-W266 HydrophobicContact CE3-CH2 3.11Å; W264-W266 AromaticContact CE3-CZ2 3.13Å; W264-W266 HydrophobicContact CE3-CZ2 3.13Å; W264-W266 AromaticContact CE3-CZ3 3.92Å; W264-W266 HydrophobicContact CE3-CZ3 3.92Å; W264-W266 AromaticContact CG-CE2 3.59Å; W264-W266 HydrophobicContact CG-CH2 4.39Å; W264-W266 AromaticContact CG-CZ2 3.52Å; W264-W266 HydrophobicContact CG-CZ2 3.52Å; W264-W266 AromaticContact CG-NE1 3.58Å; W264-W266 AromaticContact CZ3-CH2 3.67Å; W264-W266 HydrophobicContact CZ3-CH2 3.67Å; W264-W266 AromaticContact CZ3-CZ2 3.99Å; W264-W266 HydrophobicContact CZ3-CZ2 3.99Å; W264-W266 PolarHBondContact O-N 3.22Å; W264-V267 HydrophobicContact CB-CG2 4.49Å; W264-V267 HydrophobicContact CE3-CG2 4.01Å; W264-V267 WeakPolarHBondContact O-CB 3.46Å; W264-V267 PolarHBondContact O-N 3.07Å; W264-V267 VanDerWaalsContact O-N 3.12Å
265	D	94.2	Very high	96.9	Very high	77 Å²	77	25.3 Å²	25.3	41%	0.412	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-27	-177.9	71.3	-19.2	0	0	0	114.7	R94 K208 V267	R94-D265 WeakPolarHBondContact CD-O 3.33Å; R94-D265 IonicContact NE-OD2 3.34Å; K208-D265 VanDerWaalsContact NZ-CA 3.34Å; D265-V267 PolarHBondContact O-N 2.64Å
266	W	97.1	Very high	97	Very high	10 Å²	10	25 Å²	25	4%	0.038	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.2	170.9	51.1	-104	0	0	0	114.1	A95 L97 A100 L101 V116 V120 W264	A95-W266 HydrophobicContact CB-CB 3.93Å; A95-W266 VanDerWaalsContact O-CA 3.27Å; A95-W266 WeakPolarHBondContact O-CA 3.41Å; A95-W266 WeakPolarHBondContact O-CB 3.49Å; L97-W266 HydrophobicContact CB-CB 4.36Å; L97-W266 HydrophobicContact CB-CD2 3.81Å; L97-W266 HydrophobicContact CB-CE3 3.41Å; L97-W266 VanDerWaalsContact CB-CE3 3.41Å; L97-W266 HydrophobicContact CB-CG 4.25Å; L97-W266 HydrophobicContact CB-CZ3 3.91Å; L97-W266 HydrophobicContact CD1-CD2 4.44Å; L97-W266 HydrophobicContact CD1-CG 4.48Å; L97-W266 PolarHBondContact N-O 3.33Å; L97-W266 WeakPolarHBondContact O-CZ3 3.46Å; A100-W266 HydrophobicContact CB-CH2 4.24Å; A100-W266 HydrophobicContact CB-CZ3 4.32Å; L101-W266 HydrophobicContact CD2-CH2 3.67Å; L101-W266 HydrophobicContact CD2-CZ3 3.61Å; L101-W266 HydrophobicContact CG-CH2 4.35Å; L101-W266 HydrophobicContact CG-CZ3 3.87Å; V116-W266 HydrophobicContact CB-CZ2 3.96Å; V116-W266 HydrophobicContact CG1-CZ2 4.19Å; V116-W266 HydrophobicContact CG2-CZ2 4.25Å; V120-W266 HydrophobicContact CG2-CH2 3.86Å; V120-W266 HydrophobicContact CG2-CZ2 4.35Å; W264-W266 VanDerWaalsContact C-N 3.32Å; W264-W266 HydrophobicContact CB-CD2 3.82Å; W264-W266 HydrophobicContact CB-CG 4.07Å; W264-W266 HydrophobicContact CB-CZ2 3.74Å; W264-W266 AromaticContact CD2-CE2 3.86Å; W264-W266 AromaticContact CD2-CH2 3.79Å; W264-W266 HydrophobicContact CD2-CH2 3.79Å; W264-W266 AromaticContact CD2-CZ2 3.25Å; W264-W266 HydrophobicContact CD2-CZ2 3.25Å; W264-W266 AromaticContact CE3-CE2 3.97Å; W264-W266 AromaticContact CE3-CH2 3.11Å; W264-W266 HydrophobicContact CE3-CH2 3.11Å; W264-W266 AromaticContact CE3-CZ2 3.13Å; W264-W266 HydrophobicContact CE3-CZ2 3.13Å; W264-W266 AromaticContact CE3-CZ3 3.92Å; W264-W266 HydrophobicContact CE3-CZ3 3.92Å; W264-W266 AromaticContact CG-CE2 3.59Å; W264-W266 HydrophobicContact CG-CH2 4.39Å; W264-W266 AromaticContact CG-CZ2 3.52Å; W264-W266 HydrophobicContact CG-CZ2 3.52Å; W264-W266 AromaticContact CG-NE1 3.58Å; W264-W266 AromaticContact CZ3-CH2 3.67Å; W264-W266 HydrophobicContact CZ3-CH2 3.67Å; W264-W266 AromaticContact CZ3-CZ2 3.99Å; W264-W266 HydrophobicContact CZ3-CZ2 3.99Å; W264-W266 PolarHBondContact O-N 3.22Å
267	V	97.2	Very high	97	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	13%	0.129	C	C	.	.	S	Bend	trans	-90.3	98.5	169.2	-174.3	0	0	0	0	109.1	L101 F263 W264 D265	L101-V267 HydrophobicContact CD1-CG1 3.94Å; L101-V267 HydrophobicContact CD1-CG2 4Å; L101-V267 HydrophobicContact CD2-CG2 3.99Å; L101-V267 HydrophobicContact CG-CG2 4.38Å; F263-V267 HydrophobicContact CB-CG2 4.43Å; F263-V267 HydrophobicContact CD2-CB 4.17Å; F263-V267 HydrophobicContact CD2-CG1 4.33Å; W264-V267 HydrophobicContact CB-CG2 4.49Å; W264-V267 HydrophobicContact CE3-CG2 4.01Å; W264-V267 WeakPolarHBondContact O-CB 3.46Å; W264-V267 PolarHBondContact O-N 3.07Å; W264-V267 VanDerWaalsContact O-N 3.12Å; D265-V267 PolarHBondContact O-N 2.64Å
268	G	93.9	Very high	97.1	Very high	22 Å²	22	18 Å²	18	23%	0.227	11%	0.109	C	C	.	.			trans	-66.3	139.2	171.8	0	0	0	0	0	111.2	R270 Y271 S272	G268-R270 PolarHBondContact O-N 3.16Å; G268-Y271 CarbonylContact O-C 3.39Å; G268-Y271 VanDerWaalsContact O-C 3.29Å; G268-Y271 WeakPolarHBondContact O-CA 3.47Å; G268-Y271 PolarHBondContact O-N 3.14Å; G268-S272 PolarHBondContact O-N 2.76Å
269	G	94	Very high	97.2	Very high	33 Å²	33	15.5 Å²	15.5	34%	0.34	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-54.4	-47.6	-174.5	0	0	0	0	0	113.5	G157 Y271 S272	G157-G269 VanDerWaalsContact CA-O 3.23Å; G157-G269 WeakPolarHBondContact CA-O 3.5Å; G269-Y271 PolarHBondContact O-N 3.19Å; G269-Y271 VanDerWaalsContact O-N 3.14Å; G269-S272 VanDerWaalsContact O-CB 3.25Å; G269-S272 WeakPolarHBondContact O-CB 3.2Å; G269-S272 PolarHBondContact O-N 3.03Å; G269-S272 VanDerWaalsContact O-N 3.16Å; G269-S272 PolarHBondContact O-OG 3.15Å
270	R	98	Very high	97.3	Very high	3 Å²	3	14.9 Å²	14.9	1%	0.011	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-68.5	-6.4	177.4	64.1	-170.1	165.7	-88.3	2.1	115	G268 Y348 Q351 E355 S356 T504 D506	G268-R270 PolarHBondContact O-N 3.16Å; R270-Y348 PolarHBondContact O-OH 3.09Å; R270-Y348 VanDerWaalsContact O-OH 3.07Å; R270-Q351 HydrophobicContact CB-CG 3.87Å; R270-Q351 WeakPolarHBondContact CD-O 3.33Å; R270-E355 WeakPolarHBondContact CD-OE2 3.48Å; R270-E355 IonicContact CZ-OE2 3.88Å; R270-E355 IonicContact NE-OE2 2.79Å; R270-E355 IonicContact NH1-OE2 2.71Å; R270-E355 PolarHBondContact NH1-OE2 3.29Å; R270-S356 VanDerWaalsContact CD-OG 3.29Å; R270-S356 WeakPolarHBondContact CD-OG 3.44Å; R270-S356 PolarHBondContact NE-OG 3.39Å; R270-T504 PolarHBondContact NH2-O 3.41Å; R270-D506 PolarHBondContact NH2-O 2.99Å
271	Y	98.6	Very high	97.4	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.008	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-120	22.2	176.1	-59.3	-83.2	0	0	0	112	H98 G268 G269 W274 S356 E490 I493 F505	H98-Y271 WeakPolarHBondContact CB-O 3.28Å; H98-Y271 AromaticContact CE1-CD1 3.76Å; H98-Y271 AromaticContact CE1-CG 3.97Å; H98-Y271 AromaticContact ND1-CD1 3.96Å; H98-Y271 AromaticContact ND1-CG 3.79Å; H98-Y271 AromaticContact NE2-CD1 3.86Å; G268-Y271 CarbonylContact O-C 3.39Å; G268-Y271 VanDerWaalsContact O-C 3.29Å; G268-Y271 WeakPolarHBondContact O-CA 3.47Å; G268-Y271 PolarHBondContact O-N 3.14Å; G269-Y271 PolarHBondContact O-N 3.19Å; G269-Y271 VanDerWaalsContact O-N 3.14Å; Y271-W274 VanDerWaalsContact O-CD1 3.27Å; Y271-S356 PolarHBondContact OH-OG 3.41Å; Y271-E490 HydrophobicContact CD1-CB 4.3Å; Y271-E490 HydrophobicContact CD1-CG 3.79Å; Y271-E490 HydrophobicContact CE1-CB 3.95Å; Y271-E490 HydrophobicContact CE1-CG 3.76Å; Y271-I493 WeakPolarHBondContact OH-CG2 3.28Å; Y271-F505 HydrophobicContact CD2-CD1 4.28Å; Y271-F505 HydrophobicContact CD2-CE1 4.43Å; Y271-F505 AromaticContact CE2-CD1 3.74Å; Y271-F505 HydrophobicContact CE2-CD1 3.74Å; Y271-F505 AromaticContact CE2-CE1 3.79Å; Y271-F505 HydrophobicContact CE2-CE1 3.79Å; Y271-F505 AromaticContact CZ-CE1 3.88Å
272	S	98.4	Very high	97.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	8%	0.083	C	C	.	.			trans	-99	-10.5	-167.4	68.9	0	0	0	0	115.4	G157 G268 G269 W274 S275 I277	G157-S272 PolarHBondContact O-OG 2.86Å; G268-S272 PolarHBondContact O-N 2.76Å; G269-S272 VanDerWaalsContact O-CB 3.25Å; G269-S272 WeakPolarHBondContact O-CB 3.2Å; G269-S272 PolarHBondContact O-N 3.03Å; G269-S272 VanDerWaalsContact O-N 3.16Å; G269-S272 PolarHBondContact O-OG 3.15Å; S272-W274 PolarHBondContact O-N 2.81Å; S272-S275 WeakPolarHBondContact O-CB 3.5Å; S272-S275 PolarHBondContact O-N 3.14Å; S272-S275 PolarHBondContact O-OG 3.26Å; S272-I277 WeakPolarHBondContact O-CB 3.4Å; S272-I277 WeakPolarHBondContact OG-CG2 3.48Å
273	L	98.7	Very high	97.5	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.01	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.5	-176	72.2	85.5	0	0	0	113.8	M164 V165 S275 G278 I281 L293 Y348	M164-L273 HydrophobicContact CE-CD2 4.44Å; V165-L273 HydrophobicContact CG2-CD1 4.28Å; V165-L273 HydrophobicContact CG2-CD2 4.2Å; L273-S275 VanDerWaalsContact C-N 3.33Å; L273-G278 WeakPolarHBondContact O-CA 3.36Å; L273-G278 PolarHBondContact O-N 3.14Å; L273-I281 HydrophobicContact CB-CD1 4.3Å; L273-I281 HydrophobicContact CD1-CD1 4.38Å; L273-L293 HydrophobicContact CD1-CD2 4.41Å; L273-Y348 HydrophobicContact CD2-CE2 3.78Å; L273-Y348 WeakPolarHBondContact CD2-OH 3.15Å
274	W	98.9	Very high	97.8	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.5	177.4	-39.3	109	0	0	0	114	L101 R102 Y271 S272 L293 L294 A297 I486 E490	L101-W274 HydrophobicContact CB-CB 3.74Å; L101-W274 HydrophobicContact CD1-CB 3.86Å; L101-W274 HydrophobicContact CG-CB 4.47Å; R102-W274 VanDerWaalsContact NH1-NE1 3.18Å; Y271-W274 VanDerWaalsContact O-CD1 3.27Å; S272-W274 PolarHBondContact O-N 2.81Å; W274-L293 HydrophobicContact CE3-CG 4.48Å; W274-L293 HydrophobicContact CZ3-CD1 4.18Å; W274-L293 HydrophobicContact CZ3-CD2 4.42Å; W274-L293 HydrophobicContact CZ3-CG 3.89Å; W274-L294 HydrophobicContact CB-CD2 3.99Å; W274-L294 HydrophobicContact CE3-CD2 4.01Å; W274-A297 HydrophobicContact CE3-CB 4.25Å; W274-A297 HydrophobicContact CH2-CB 3.68Å; W274-A297 HydrophobicContact CZ2-CB 4.38Å; W274-A297 HydrophobicContact CZ3-CB 3.6Å; W274-I486 HydrophobicContact CH2-CB 3.86Å; W274-I486 HydrophobicContact CH2-CD1 4.07Å; W274-I486 HydrophobicContact CH2-CG2 3.92Å; W274-I486 HydrophobicContact CZ2-CB 3.93Å; W274-I486 HydrophobicContact CZ2-CG2 3.47Å; W274-I486 VanDerWaalsContact CZ2-CG2 3.47Å; W274-E490 PolarHBondContact NE1-OE1 3.36Å
275	S	98.5	Very high	97.9	Very high	4 Å²	4	8 Å²	8	3%	0.028	6%	0.055	C	C	.	.	S	Bend	trans	-95.2	-162.4	-177.1	72.3	0	0	0	0	111.9	S272 L273 I277 G278	S272-S275 WeakPolarHBondContact O-CB 3.5Å; S272-S275 PolarHBondContact O-N 3.14Å; S272-S275 PolarHBondContact O-OG 3.26Å; L273-S275 VanDerWaalsContact C-N 3.33Å; S275-I277 PolarHBondContact O-N 2.85Å; S275-I277 VanDerWaalsContact O-N 3.09Å; S275-I277 PolarHBondContact OG-N 2.94Å; S275-G278 PolarHBondContact O-N 3.43Å
276	A	98.6	Very high	98.1	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.008	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-46.6	-32.2	165.4	0	0	0	0	0	114.1	V123 L243 F261 E262 F263 G278 L279	V123-A276 HydrophobicContact CG1-CB 4.05Å; L243-A276 WeakPolarHBondContact CD1-O 3.44Å; F261-A276 HydrophobicContact CB-CB 3.63Å; F261-A276 WeakPolarHBondContact O-CB 3.47Å; E262-A276 WeakPolarHBondContact O-CB 3.48Å; F263-A276 HydrophobicContact CD1-CB 4.27Å; A276-G278 PolarHBondContact O-N 3.44Å; A276-G278 VanDerWaalsContact O-N 3.13Å; A276-L279 WeakPolarHBondContact O-CB 3.25Å; A276-L279 PolarHBondContact O-N 3.37Å
277	I	98.6	Very high	98.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-57.1	-26.5	175.2	-64.1	-65	0	0	0	112.2	P162 A206 L243 F263 S272 S275 L279	P162-I277 HydrophobicContact CG-CG2 3.79Å; P162-I277 WeakPolarHBondContact CG-O 3.45Å; A206-I277 HydrophobicContact CB-CD1 4.14Å; L243-I277 HydrophobicContact CB-CD1 3.97Å; L243-I277 HydrophobicContact CD1-CD1 4.42Å; F263-I277 HydrophobicContact CD1-CD1 4.48Å; F263-I277 HydrophobicContact CD1-CG1 4.35Å; F263-I277 HydrophobicContact CE1-CD1 3.76Å; F263-I277 HydrophobicContact CE1-CG1 4.03Å; F263-I277 HydrophobicContact CZ-CD1 3.93Å; F263-I277 HydrophobicContact CZ-CG1 4.16Å; S272-I277 WeakPolarHBondContact O-CB 3.4Å; S272-I277 WeakPolarHBondContact OG-CG2 3.48Å; S275-I277 PolarHBondContact O-N 2.85Å; S275-I277 VanDerWaalsContact O-N 3.09Å; S275-I277 PolarHBondContact OG-N 2.94Å; I277-L279 PolarHBondContact O-N 2.94Å
278	G	98.8	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-74.5	4.6	174.2	0	0	0	0	0	115.4	L273 S275 A276 S280 I281 V282	L273-G278 WeakPolarHBondContact O-CA 3.36Å; L273-G278 PolarHBondContact O-N 3.14Å; S275-G278 PolarHBondContact O-N 3.43Å; A276-G278 PolarHBondContact O-N 3.44Å; A276-G278 VanDerWaalsContact O-N 3.13Å; G278-S280 VanDerWaalsContact C-N 3.26Å; G278-S280 PolarHBondContact O-N 3.24Å; G278-I281 WeakPolarHBondContact O-CA 3.44Å; G278-I281 WeakPolarHBondContact O-CB 3.36Å; G278-I281 PolarHBondContact O-N 3.3Å; G278-V282 PolarHBondContact O-N 3.12Å
279	L	98.9	Very high	98.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.8	-35.6	-176	-176.9	60.1	0	0	0	113.1	M127 F130 L204 L243 F261 A276 I277 I281 V282 L283	M127-L279 HydrophobicContact CB-CD1 4.03Å; M127-L279 HydrophobicContact CE-CB 4.01Å; M127-L279 HydrophobicContact CE-CD1 4.28Å; M127-L279 HydrophobicContact CG-CD1 4.08Å; F130-L279 HydrophobicContact CD1-CD1 4.21Å; F130-L279 HydrophobicContact CD1-CD2 4.1Å; F130-L279 HydrophobicContact CE1-CD2 4.08Å; L204-L279 HydrophobicContact CD1-CB 4.3Å; L204-L279 HydrophobicContact CD1-CD2 4.37Å; L204-L279 HydrophobicContact CD1-CG 4.21Å; L204-L279 HydrophobicContact CD2-CD2 4Å; L243-L279 HydrophobicContact CD1-CB 4.36Å; L243-L279 HydrophobicContact CD2-CB 3.87Å; L243-L279 HydrophobicContact CD2-CD2 3.72Å; L243-L279 HydrophobicContact CD2-CG 4.45Å; F261-L279 HydrophobicContact CD1-CD2 4.48Å; F261-L279 HydrophobicContact CD2-CD2 3.73Å; F261-L279 HydrophobicContact CE1-CD2 4.4Å; F261-L279 HydrophobicContact CE2-CD2 3.66Å; F261-L279 HydrophobicContact CG-CD2 4.17Å; F261-L279 HydrophobicContact CZ-CD2 4.02Å; A276-L279 WeakPolarHBondContact O-CB 3.25Å; A276-L279 PolarHBondContact O-N 3.37Å; I277-L279 PolarHBondContact O-N 2.94Å; L279-I281 VanDerWaalsContact C-N 3.27Å; L279-I281 PolarHBondContact O-N 3.14Å; L279-V282 HydrophobicContact CD1-CB 4.43Å; L279-V282 PolarHBondContact O-N 3.13Å; L279-L283 HydrophobicContact CD1-CG 4.47Å; L279-L283 HydrophobicContact CG-CD1 4.2Å; L279-L283 HydrophobicContact CG-CG 4.48Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.17Å
280	S	98.9	Very high	98.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.4	-30.5	173.1	39.4	0	0	0	0	112.6	N152 P162 M178 G278 S284	N152-S280 PolarHBondContact OD1-OG 2.65Å; P162-S280 WeakPolarHBondContact CB-OG 2.9Å; M178-S280 WeakPolarHBondContact CE-O 3.4Å; G278-S280 VanDerWaalsContact C-N 3.26Å; G278-S280 PolarHBondContact O-N 3.24Å; S280-S284 WeakPolarHBondContact O-CB 3.26Å; S280-S284 PolarHBondContact O-N 2.95Å
281	I	99	Very high	98.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-52.8	171.3	-53.6	166	0	0	0	109.1	P162 V165 T166 L273 G278 L279 L283 S284 I285 F290 L293	P162-I281 HydrophobicContact CB-CG1 4.36Å; V165-I281 HydrophobicContact CB-CD1 3.8Å; V165-I281 HydrophobicContact CB-CG1 4.1Å; V165-I281 HydrophobicContact CG1-CD1 3.88Å; V165-I281 HydrophobicContact CG1-CG1 4.11Å; V165-I281 HydrophobicContact CG1-CG2 3.62Å; V165-I281 HydrophobicContact CG2-CD1 4.17Å; T166-I281 HydrophobicContact CG2-CB 4.37Å; T166-I281 HydrophobicContact CG2-CG1 4.16Å; L273-I281 HydrophobicContact CB-CD1 4.3Å; L273-I281 HydrophobicContact CD1-CD1 4.38Å; G278-I281 WeakPolarHBondContact O-CA 3.44Å; G278-I281 WeakPolarHBondContact O-CB 3.36Å; G278-I281 PolarHBondContact O-N 3.3Å; L279-I281 VanDerWaalsContact C-N 3.27Å; L279-I281 PolarHBondContact O-N 3.14Å; I281-L283 VanDerWaalsContact C-N 3.28Å; I281-L283 PolarHBondContact O-N 3.1Å; I281-S284 WeakPolarHBondContact O-CB 3.37Å; I281-S284 PolarHBondContact O-N 2.98Å; I281-I285 HydrophobicContact CG2-CD1 3.73Å; I281-I285 HydrophobicContact CG2-CG1 4.09Å; I281-I285 WeakPolarHBondContact O-CG1 3.23Å; I281-I285 PolarHBondContact O-N 3.44Å; I281-F290 HydrophobicContact CB-CD2 4.06Å; I281-F290 HydrophobicContact CB-CE2 4.21Å; I281-F290 HydrophobicContact CD1-CE2 4.2Å; I281-F290 HydrophobicContact CG2-CD2 3.85Å; I281-F290 HydrophobicContact CG2-CE2 4.37Å; I281-L293 HydrophobicContact CG2-CD2 4.32Å
282	V	98.9	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-53.5	-46.2	177.8	-179.5	0	0	0	0	111.4	M127 S131 G278 L279 S284 G286 F287 F290	M127-V282 HydrophobicContact CE-CG2 3.76Å; S131-V282 VanDerWaalsContact CB-CG1 3.43Å; S131-V282 VanDerWaalsContact OG-CG1 3.3Å; S131-V282 WeakPolarHBondContact OG-CG1 3.32Å; G278-V282 PolarHBondContact O-N 3.12Å; L279-V282 HydrophobicContact CD1-CB 4.43Å; L279-V282 PolarHBondContact O-N 3.13Å; V282-S284 VanDerWaalsContact C-N 3.31Å; V282-S284 PolarHBondContact O-N 3.41Å; V282-G286 CarbonylContact O-C 3.57Å; V282-G286 WeakPolarHBondContact O-CA 3.27Å; V282-G286 PolarHBondContact O-N 3.12Å; V282-F287 HydrophobicContact CG1-CB 4.06Å; V282-F287 HydrophobicContact CG1-CD2 4Å; V282-F290 HydrophobicContact CG2-CB 3.76Å; V282-F290 HydrophobicContact CG2-CD1 3.55Å; V282-F290 HydrophobicContact CG2-CD2 3.81Å; V282-F290 HydrophobicContact CG2-CE1 4.01Å; V282-F290 HydrophobicContact CG2-CE2 4.25Å; V282-F290 HydrophobicContact CG2-CG 3.43Å; V282-F290 VanDerWaalsContact CG2-CG 3.43Å; V282-F290 HydrophobicContact CG2-CZ 4.34Å
283	L	99	Very high	98.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.3	-35.3	178.4	-72.8	169.2	0	0	0	112.5	I134 V150 N174 L176 M178 L202 L204 L279 I281	I134-L283 HydrophobicContact CB-CD2 3.72Å; I134-L283 HydrophobicContact CG1-CD2 4.13Å; I134-L283 HydrophobicContact CG2-CD2 3.72Å; V150-L283 HydrophobicContact CG1-CD1 3.88Å; V150-L283 HydrophobicContact CG2-CB 4.48Å; V150-L283 HydrophobicContact CG2-CD1 4.16Å; N174-L283 PolarHBondContact ND2-O 2.88Å; L176-L283 HydrophobicContact CD1-CB 4.42Å; L176-L283 WeakPolarHBondContact CD1-O 3.3Å; M178-L283 HydrophobicContact CE-CB 4.45Å; L202-L283 HydrophobicContact CD2-CD1 3.98Å; L204-L283 HydrophobicContact CD1-CD1 3.97Å; L204-L283 HydrophobicContact CD2-CD1 4.44Å; L279-L283 HydrophobicContact CD1-CG 4.47Å; L279-L283 HydrophobicContact CG-CD1 4.2Å; L279-L283 HydrophobicContact CG-CG 4.48Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.17Å; I281-L283 VanDerWaalsContact C-N 3.28Å; I281-L283 PolarHBondContact O-N 3.1Å
284	S	98.9	Very high	98.9	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-72	-49.2	179.9	-174	0	0	0	0	112.8	K173 N174 S280 I281 V282	K173-S284 CarbonylContact C-O 3.5Å; K173-S284 VanDerWaalsContact CA-O 3.29Å; K173-S284 WeakPolarHBondContact CA-O 3.41Å; N174-S284 VanDerWaalsContact CG-O 3.25Å; N174-S284 PolarHBondContact N-O 3.11Å; N174-S284 PolarHBondContact ND2-O 3.23Å; S280-S284 WeakPolarHBondContact O-CB 3.26Å; S280-S284 PolarHBondContact O-N 2.95Å; I281-S284 WeakPolarHBondContact O-CB 3.37Å; I281-S284 PolarHBondContact O-N 2.98Å; V282-S284 VanDerWaalsContact C-N 3.31Å; V282-S284 PolarHBondContact O-N 3.41Å
285	I	98.9	Very high	98.9	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-111.6	-2.7	-168.7	68.8	178.5	0	0	0	114.1	L169 Y172 I281 N289	L169-I285 HydrophobicContact CB-CD1 4.38Å; L169-I285 HydrophobicContact CB-CG2 4.16Å; L169-I285 HydrophobicContact CD1-CD1 3.6Å; Y172-I285 WeakPolarHBondContact O-CA 3.43Å; I281-I285 HydrophobicContact CG2-CD1 3.73Å; I281-I285 HydrophobicContact CG2-CG1 4.09Å; I281-I285 WeakPolarHBondContact O-CG1 3.23Å; I281-I285 PolarHBondContact O-N 3.44Å; I285-N289 HydrophobicContact CB-CB 4.07Å; I285-N289 HydrophobicContact CD1-CB 3.75Å; I285-N289 HydrophobicContact CG1-CB 3.74Å; I285-N289 WeakPolarHBondContact O-CB 3.23Å; I285-N289 PolarHBondContact O-ND2 2.97Å
286	G	98.9	Very high	98.9	Very high	16 Å²	16	17.1 Å²	17.1	17%	0.165	10%	0.095	C	C	.	.			trans	83.6	156.4	-175	0	0	0	0	0	113.5	V282 D288 N289 F290	V282-G286 CarbonylContact O-C 3.57Å; V282-G286 WeakPolarHBondContact O-CA 3.27Å; V282-G286 PolarHBondContact O-N 3.12Å; G286-D288 PolarHBondContact O-N 2.96Å; G286-N289 PolarHBondContact O-N 3.2Å; G286-F290 PolarHBondContact O-N 3.01Å; G286-F290 VanDerWaalsContact O-N 3.16Å
287	F	98.9	Very high	98.9	Very high	26 Å²	26	17.1 Å²	17.1	11%	0.114	9%	0.094	C	C	.	.	H	α-helix	trans	-65	-37.8	-175	-173.1	-99.6	0	0	0	113.5	L124 K128 V282 N289 F290 V291	L124-F287 HydrophobicContact CB-CE2 4.38Å; L124-F287 HydrophobicContact CB-CZ 4.23Å; L124-F287 WeakPolarHBondContact O-CE2 3.35Å; K128-F287 HydrophobicContact CB-CB 4.41Å; K128-F287 HydrophobicContact CB-CD1 3.88Å; K128-F287 HydrophobicContact CB-CD2 3.61Å; K128-F287 HydrophobicContact CB-CE1 3.96Å; K128-F287 HydrophobicContact CB-CE2 3.71Å; K128-F287 HydrophobicContact CB-CG 3.69Å; K128-F287 HydrophobicContact CB-CZ 3.87Å; K128-F287 HydrophobicContact CD-CD1 3.74Å; K128-F287 HydrophobicContact CD-CE1 3.81Å; K128-F287 HydrophobicContact CD-CG 4.32Å; K128-F287 HydrophobicContact CD-CZ 4.45Å; K128-F287 HydrophobicContact CG-CB 4.09Å; K128-F287 HydrophobicContact CG-CD1 3.62Å; K128-F287 HydrophobicContact CG-CD2 4.15Å; K128-F287 HydrophobicContact CG-CE1 4.01Å; K128-F287 HydrophobicContact CG-CG 3.68Å; K128-F287 HydrophobicContact CG-CZ 4.44Å; V282-F287 HydrophobicContact CG1-CB 4.06Å; V282-F287 HydrophobicContact CG1-CD2 4Å; F287-N289 PolarHBondContact O-N 3.18Å; F287-F290 CarbonylContact O-C 3.47Å; F287-F290 WeakPolarHBondContact O-CA 3.31Å; F287-F290 WeakPolarHBondContact O-CB 3.45Å; F287-F290 PolarHBondContact O-N 3.23Å; F287-F290 VanDerWaalsContact O-N 3.1Å; F287-V291 HydrophobicContact CD1-CG2 3.86Å; F287-V291 HydrophobicContact CE1-CG2 3.45Å; F287-V291 VanDerWaalsContact CE1-CG2 3.45Å; F287-V291 HydrophobicContact CZ-CG2 3.87Å; F287-V291 WeakPolarHBondContact O-CG2 3.45Å; F287-V291 PolarHBondContact O-N 2.97Å
288	D	98.9	Very high	98.9	Very high	123 Å²	123	19 Å²	19	66%	0.658	10%	0.103	S	C	*	.	H	α-helix	trans	-62.6	-43.1	179.8	-63.6	-29.7	0	0	0	111.8	G286 F290 V291 E292	G286-D288 PolarHBondContact O-N 2.96Å; D288-F290 VanDerWaalsContact C-N 3.32Å; D288-F290 PolarHBondContact O-N 2.94Å; D288-V291 WeakPolarHBondContact O-CB 3.38Å; D288-V291 PolarHBondContact O-N 3.34Å; D288-E292 PolarHBondContact O-N 3.04Å
289	N	98.9	Very high	98.9	Very high	46 Å²	46	20.2 Å²	20.2	25%	0.246	11%	0.113	C	C	.	.	H	α-helix	trans	-66.7	-33.4	174.3	-74	-42.5	0	0	0	112	I285 G286 F287 E292 L293 P479	I285-N289 HydrophobicContact CB-CB 4.07Å; I285-N289 HydrophobicContact CD1-CB 3.75Å; I285-N289 HydrophobicContact CG1-CB 3.74Å; I285-N289 WeakPolarHBondContact O-CB 3.23Å; I285-N289 PolarHBondContact O-ND2 2.97Å; G286-N289 PolarHBondContact O-N 3.2Å; F287-N289 PolarHBondContact O-N 3.18Å; N289-E292 PolarHBondContact O-N 3.38Å; N289-L293 PolarHBondContact O-N 3.2Å; N289-P479 HydrophobicContact CB-CB 4.47Å; N289-P479 HydrophobicContact CB-CG 3.95Å; N289-P479 WeakPolarHBondContact O-CB 3.31Å
290	F	98.9	Very high	98.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-38.1	171.9	-172.5	-107.1	0	0	0	111.8	L124 M127 I281 V282 G286 F287 D288 E292 L293 L294	L124-F290 HydrophobicContact CD2-CE1 3.93Å; M127-F290 HydrophobicContact CE-CE1 4.3Å; M127-F290 HydrophobicContact CE-CZ 4.44Å; I281-F290 HydrophobicContact CB-CD2 4.06Å; I281-F290 HydrophobicContact CB-CE2 4.21Å; I281-F290 HydrophobicContact CD1-CE2 4.2Å; I281-F290 HydrophobicContact CG2-CD2 3.85Å; I281-F290 HydrophobicContact CG2-CE2 4.37Å; V282-F290 HydrophobicContact CG2-CB 3.76Å; V282-F290 HydrophobicContact CG2-CD1 3.55Å; V282-F290 HydrophobicContact CG2-CD2 3.81Å; V282-F290 HydrophobicContact CG2-CE1 4.01Å; V282-F290 HydrophobicContact CG2-CE2 4.25Å; V282-F290 HydrophobicContact CG2-CG 3.43Å; V282-F290 VanDerWaalsContact CG2-CG 3.43Å; V282-F290 HydrophobicContact CG2-CZ 4.34Å; G286-F290 PolarHBondContact O-N 3.01Å; G286-F290 VanDerWaalsContact O-N 3.16Å; F287-F290 CarbonylContact O-C 3.47Å; F287-F290 WeakPolarHBondContact O-CA 3.31Å; F287-F290 WeakPolarHBondContact O-CB 3.45Å; F287-F290 PolarHBondContact O-N 3.23Å; F287-F290 VanDerWaalsContact O-N 3.1Å; D288-F290 VanDerWaalsContact C-N 3.32Å; D288-F290 PolarHBondContact O-N 2.94Å; F290-E292 VanDerWaalsContact C-N 3.33Å; F290-E292 PolarHBondContact O-N 2.81Å; F290-L293 HydrophobicContact CD2-CD2 4.03Å; F290-L293 HydrophobicContact CE2-CD2 4.17Å; F290-L293 WeakPolarHBondContact O-CB 3.47Å; F290-L293 PolarHBondContact O-N 2.83Å; F290-L294 HydrophobicContact CD1-CD1 4.03Å; F290-L294 HydrophobicContact CD1-CG 4.26Å; F290-L294 HydrophobicContact CE1-CD1 3.84Å; F290-L294 HydrophobicContact CE1-CD2 4.13Å; F290-L294 HydrophobicContact CE1-CG 4.08Å; F290-L294 HydrophobicContact CZ-CD2 4.17Å; F290-L294 WeakPolarHBondContact O-CG 3.32Å; F290-L294 PolarHBondContact O-N 3.3Å
291	V	98.9	Very high	98.9	Very high	24 Å²	24	20.4 Å²	20.4	15%	0.145	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-41.9	172.6	168.5	0	0	0	0	111	F287 D288 L293 L294 S295	F287-V291 HydrophobicContact CD1-CG2 3.86Å; F287-V291 HydrophobicContact CE1-CG2 3.45Å; F287-V291 VanDerWaalsContact CE1-CG2 3.45Å; F287-V291 HydrophobicContact CZ-CG2 3.87Å; F287-V291 WeakPolarHBondContact O-CG2 3.45Å; F287-V291 PolarHBondContact O-N 2.97Å; D288-V291 WeakPolarHBondContact O-CB 3.38Å; D288-V291 PolarHBondContact O-N 3.34Å; V291-L293 VanDerWaalsContact C-N 3.32Å; V291-L293 PolarHBondContact O-N 3.04Å; V291-L294 PolarHBondContact O-N 3.41Å; V291-S295 WeakPolarHBondContact O-CB 3.29Å; V291-S295 PolarHBondContact O-N 3.29Å; V291-S295 PolarHBondContact O-OG 2.8Å
292	E	99	Very high	98.9	Very high	89 Å²	89	26.9 Å²	26.9	42%	0.416	14%	0.142	S	C	.	.	H	α-helix	trans	-60.7	-41.1	174.4	-75.1	-60.8	103.1	0	0	112.1	D288 N289 F290 L294 S295 G296 P479 F480	D288-E292 PolarHBondContact O-N 3.04Å; N289-E292 PolarHBondContact O-N 3.38Å; F290-E292 VanDerWaalsContact C-N 3.33Å; F290-E292 PolarHBondContact O-N 2.81Å; E292-L294 PolarHBondContact O-N 2.95Å; E292-S295 PolarHBondContact O-N 3.01Å; E292-G296 PolarHBondContact O-N 2.78Å; E292-P479 HydrophobicContact CB-CB 3.9Å; E292-F480 VanDerWaalsContact O-CA 3.32Å; E292-F480 WeakPolarHBondContact O-CA 3.37Å
293	L	99	Very high	98.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.1	-46.8	172.7	178.8	72.4	0	0	0	112.2	V165 L273 W274 I281 N289 F290 V291 A297 P479 L482 G483	V165-L293 HydrophobicContact CG1-CD1 4.47Å; V165-L293 HydrophobicContact CG1-CD2 3.77Å; L273-L293 HydrophobicContact CD1-CD2 4.41Å; W274-L293 HydrophobicContact CE3-CG 4.48Å; W274-L293 HydrophobicContact CZ3-CD1 4.18Å; W274-L293 HydrophobicContact CZ3-CD2 4.42Å; W274-L293 HydrophobicContact CZ3-CG 3.89Å; I281-L293 HydrophobicContact CG2-CD2 4.32Å; N289-L293 PolarHBondContact O-N 3.2Å; F290-L293 HydrophobicContact CD2-CD2 4.03Å; F290-L293 HydrophobicContact CE2-CD2 4.17Å; F290-L293 WeakPolarHBondContact O-CB 3.47Å; F290-L293 PolarHBondContact O-N 2.83Å; V291-L293 VanDerWaalsContact C-N 3.32Å; V291-L293 PolarHBondContact O-N 3.04Å; L293-A297 PolarHBondContact O-N 2.92Å; L293-P479 VanDerWaalsContact CA-O 3.3Å; L293-P479 WeakPolarHBondContact CA-O 3.49Å; L293-P479 HydrophobicContact CB-CB 4.19Å; L293-P479 VanDerWaalsContact CD1-O 3.31Å; L293-P479 WeakPolarHBondContact CD1-O 3.49Å; L293-L482 HydrophobicContact CD1-CB 4.42Å; L293-L482 HydrophobicContact CD1-CG 4.46Å; L293-G483 WeakPolarHBondContact O-CA 3.33Å
294	L	99	Very high	98.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-42.1	174.6	-61	177.3	0	0	0	111.4	R102 L124 W274 F290 V291 E292 A297 H298	R102-L294 HydrophobicContact CB-CB 3.94Å; R102-L294 HydrophobicContact CB-CD2 3.83Å; R102-L294 HydrophobicContact CB-CG 4.45Å; L124-L294 HydrophobicContact CD1-CD1 4.14Å; L124-L294 HydrophobicContact CD2-CD1 3.97Å; W274-L294 HydrophobicContact CB-CD2 3.99Å; W274-L294 HydrophobicContact CE3-CD2 4.01Å; F290-L294 HydrophobicContact CD1-CD1 4.03Å; F290-L294 HydrophobicContact CD1-CG 4.26Å; F290-L294 HydrophobicContact CE1-CD1 3.84Å; F290-L294 HydrophobicContact CE1-CD2 4.13Å; F290-L294 HydrophobicContact CE1-CG 4.08Å; F290-L294 HydrophobicContact CZ-CD2 4.17Å; F290-L294 WeakPolarHBondContact O-CG 3.32Å; F290-L294 PolarHBondContact O-N 3.3Å; V291-L294 PolarHBondContact O-N 3.41Å; E292-L294 PolarHBondContact O-N 2.95Å; L294-A297 PolarHBondContact O-N 3.49Å; L294-H298 WeakPolarHBondContact O-CB 3.2Å; L294-H298 PolarHBondContact O-N 2.93Å
295	S	98.9	Very high	98.9	Very high	26 Å²	26	30.7 Å²	30.7	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-40.6	-179.1	-64.9	0	0	0	0	112.7	V291 E292 H298 A299	V291-S295 WeakPolarHBondContact O-CB 3.29Å; V291-S295 PolarHBondContact O-N 3.29Å; V291-S295 PolarHBondContact O-OG 2.8Å; E292-S295 PolarHBondContact O-N 3.01Å; S295-H298 WeakPolarHBondContact O-CB 3.42Å; S295-H298 PolarHBondContact O-N 2.76Å; S295-A299 PolarHBondContact O-N 3.14Å
296	G	98.9	Very high	98.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-43.1	175.5	0	0	0	0	0	112.6	E292 H298 A299 M300 F480 A484	E292-G296 PolarHBondContact O-N 2.78Å; G296-H298 VanDerWaalsContact C-N 3.33Å; G296-H298 PolarHBondContact O-N 2.89Å; G296-A299 PolarHBondContact O-N 3.09Å; G296-M300 PolarHBondContact O-N 2.86Å; G296-M300 VanDerWaalsContact O-N 3.12Å; G296-F480 VanDerWaalsContact CA-CD2 3.48Å; G296-F480 VanDerWaalsContact CA-O 3.32Å; G296-F480 WeakPolarHBondContact CA-O 3.49Å; G296-A484 WeakPolarHBondContact O-CA 3.25Å; G296-A484 WeakPolarHBondContact O-CB 3.35Å
297	A	99	Very high	98.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-38.6	174.9	0	0	0	0	0	112	R102 W274 L293 L294 M300 D301 G483 A487	R102-A297 VanDerWaalsContact CD-CB 3.46Å; R102-A297 HydrophobicContact CG-CB 4.21Å; W274-A297 HydrophobicContact CE3-CB 4.25Å; W274-A297 HydrophobicContact CH2-CB 3.68Å; W274-A297 HydrophobicContact CZ2-CB 4.38Å; W274-A297 HydrophobicContact CZ3-CB 3.6Å; L293-A297 PolarHBondContact O-N 2.92Å; L294-A297 PolarHBondContact O-N 3.49Å; A297-M300 PolarHBondContact O-N 2.86Å; A297-D301 PolarHBondContact O-N 3.2Å; A297-G483 WeakPolarHBondContact CA-O 3.38Å; A297-G483 WeakPolarHBondContact CB-O 3.48Å; A297-A487 HydrophobicContact CB-CB 4Å
298	H	98.9	Very high	98.8	Very high	39 Å²	39	38.7 Å²	38.7	18%	0.181	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-40	173.6	-171.7	52	0	0	0	113.2	R102 N103 R104 S105 L294 S295 G296 M300 D301 K302	R102-H298 VanDerWaalsContact O-CB 3.22Å; R102-H298 WeakPolarHBondContact O-CB 3.39Å; R102-H298 PolarHBondContact O-ND1 3.16Å; N103-H298 PolarHBondContact OD1-CE1 3.49Å; R104-H298 HydrophobicContact CG-CB 3.97Å; S105-H298 PolarHBondContact N-NE2 2.96Å; L294-H298 WeakPolarHBondContact O-CB 3.2Å; L294-H298 PolarHBondContact O-N 2.93Å; S295-H298 WeakPolarHBondContact O-CB 3.42Å; S295-H298 PolarHBondContact O-N 2.76Å; G296-H298 VanDerWaalsContact C-N 3.33Å; G296-H298 PolarHBondContact O-N 2.89Å; H298-M300 VanDerWaalsContact C-N 3.3Å; H298-M300 PolarHBondContact O-N 3.34Å; H298-D301 WeakPolarHBondContact O-CB 3.44Å; H298-D301 PolarHBondContact O-N 3.19Å; H298-K302 PolarHBondContact O-N 3.43Å
299	A	98.9	Very high	98.7	Very high	26 Å²	26	34.4 Å²	34.4	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-40.4	175.8	0	0	0	0	0	110.8	F45 S295 G296 K302 H303 F480	F45-A299 HydrophobicContact CZ-CB 3.77Å; S295-A299 PolarHBondContact O-N 3.14Å; G296-A299 PolarHBondContact O-N 3.09Å; A299-K302 PolarHBondContact O-N 3.5Å; A299-H303 PolarHBondContact O-N 3.48Å; A299-F480 HydrophobicContact CB-CE2 4.44Å; A299-F480 HydrophobicContact CB-CZ 3.75Å
300	M	98.9	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.6	-35.5	173.5	-173.9	58.6	64	0	0	112.7	F45 M49 G296 A297 H298 K302 H303 F304 P314 A484 A487 L488	F45-M300 HydrophobicContact CB-CE 4.35Å; F45-M300 HydrophobicContact CD1-CE 3.74Å; F45-M300 HydrophobicContact CD2-CE 3.64Å; F45-M300 HydrophobicContact CD2-SD 4.35Å; F45-M300 HydrophobicContact CE1-CE 3.86Å; F45-M300 HydrophobicContact CE2-CB 4.47Å; F45-M300 HydrophobicContact CE2-CE 3.76Å; F45-M300 HydrophobicContact CE2-SD 4.28Å; F45-M300 HydrophobicContact CG-CE 3.62Å; F45-M300 HydrophobicContact CZ-CB 4.22Å; F45-M300 HydrophobicContact CZ-CE 3.86Å; M49-M300 HydrophobicContact SD-CE 4.39Å; G296-M300 PolarHBondContact O-N 2.86Å; G296-M300 VanDerWaalsContact O-N 3.12Å; A297-M300 PolarHBondContact O-N 2.86Å; H298-M300 VanDerWaalsContact C-N 3.3Å; H298-M300 PolarHBondContact O-N 3.34Å; M300-K302 VanDerWaalsContact C-N 3.31Å; M300-K302 PolarHBondContact O-N 3.12Å; M300-H303 PolarHBondContact O-N 3.45Å; M300-H303 HydrophobicContact SD-CB 4.44Å; M300-F304 WeakPolarHBondContact O-CB 3.4Å; M300-F304 PolarHBondContact O-N 3.48Å; M300-P314 HydrophobicContact SD-CG 4.12Å; M300-A484 HydrophobicContact CB-CB 4.35Å; M300-A484 HydrophobicContact CE-CB 4.32Å; M300-A484 WeakPolarHBondContact CG-O 3.31Å; M300-A487 HydrophobicContact CB-CB 3.77Å; M300-A487 HydrophobicContact CG-CB 3.79Å; M300-L488 HydrophobicContact CE-CB 4.06Å; M300-L488 HydrophobicContact CE-CD1 4.28Å; M300-L488 HydrophobicContact CG-CB 4.32Å; M300-L488 HydrophobicContact SD-CB 4.19Å; M300-L488 HydrophobicContact SD-CD1 4.1Å
301	D	98.9	Very high	98.5	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-42.8	171.6	-68	-21.5	0	0	0	111.5	F83 R102 A297 H298 F304 S305 H491	F83-D301 HydrophobicContact CE1-CB 3.93Å; F83-D301 HydrophobicContact CZ-CB 4.1Å; R102-D301 VanDerWaalsContact CG-OD2 3.32Å; R102-D301 WeakPolarHBondContact CG-OD2 3.47Å; R102-D301 IonicContact CZ-OD1 3.76Å; R102-D301 IonicContact CZ-OD2 2.72Å; R102-D301 IonicContact NE-OD1 3.25Å; R102-D301 PolarHBondContact NE-OD1 3.44Å; R102-D301 IonicContact NE-OD2 2.83Å; R102-D301 PolarHBondContact NE-OD2 2.97Å; R102-D301 IonicContact NH2-OD1 3.83Å; R102-D301 PolarHBondContact NH2-OD1 3.12Å; R102-D301 IonicContact NH2-OD2 3.86Å; A297-D301 PolarHBondContact O-N 3.2Å; H298-D301 WeakPolarHBondContact O-CB 3.44Å; H298-D301 PolarHBondContact O-N 3.19Å; D301-F304 PolarHBondContact O-N 3.42Å; D301-S305 WeakPolarHBondContact O-CB 3.32Å; D301-S305 PolarHBondContact O-N 3Å; D301-S305 PolarHBondContact O-OG 3.39Å; D301-H491 IonicContact OD1-CD2 4Å; D301-H491 IonicContact OD1-CE1 3.29Å; D301-H491 PolarHBondContact OD1-CE1 2.96Å; D301-H491 VanDerWaalsContact OD1-CE1 3.31Å; D301-H491 IonicContact OD1-NE2 3.7Å; D301-H491 PolarHBondContact OD1-NE2 2.83Å
302	K	98.9	Very high	98.5	Very high	137 Å²	137	42.3 Å²	42.3	60%	0.596	23%	0.229	S	C	*	.	H	α-helix	trans	-66.5	-44.7	177.4	-172.7	170.8	-177.7	171.2	0	111.4	H298 A299 M300 S305 T306	H298-K302 PolarHBondContact O-N 3.43Å; A299-K302 PolarHBondContact O-N 3.5Å; M300-K302 VanDerWaalsContact C-N 3.31Å; M300-K302 PolarHBondContact O-N 3.12Å; K302-S305 PolarHBondContact O-N 3.22Å; K302-S305 PolarHBondContact O-OG 3.46Å; K302-T306 WeakPolarHBondContact O-CB 3.46Å; K302-T306 PolarHBondContact O-N 3.48Å; K302-T306 VanDerWaalsContact O-N 3.08Å; K302-T306 PolarHBondContact O-OG1 3.26Å
303	H	98.9	Very high	98.5	Very high	31 Å²	31	38.1 Å²	38.1	14%	0.144	21%	0.209	C	C	.	.	H	α-helix	trans	-57	-50.3	173	175.6	69	0	0	0	111.1	F45 A299 M300 S305 T306 T307 K311 L313	F45-H303 HydrophobicContact CD2-CB 4.1Å; F45-H303 HydrophobicContact CE2-CB 3.83Å; A299-H303 PolarHBondContact O-N 3.48Å; M300-H303 PolarHBondContact O-N 3.45Å; M300-H303 HydrophobicContact SD-CB 4.44Å; H303-S305 PolarHBondContact O-N 3.36Å; H303-T306 PolarHBondContact O-N 3.38Å; H303-T307 PolarHBondContact ND1-OG1 3.11Å; H303-T307 WeakPolarHBondContact O-CB 3.3Å; H303-T307 PolarHBondContact O-N 3.18Å; H303-T307 PolarHBondContact O-OG1 3.19Å; H303-K311 PolarHBondContact CE1-O 2.86Å; H303-L313 PolarHBondContact NE2-N 2.8Å
304	F	98.9	Very high	98.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-42.2	-179	179.8	-122.1	0	0	0	113.2	I79 F83 M300 D301 N312 P314 V315 H491 F494 T495	I79-F304 HydrophobicContact CB-CE1 4.46Å; I79-F304 HydrophobicContact CD1-CE1 4.05Å; I79-F304 HydrophobicContact CD1-CE2 3.79Å; I79-F304 HydrophobicContact CD1-CZ 3.5Å; I79-F304 VanDerWaalsContact CD1-CZ 3.5Å; I79-F304 HydrophobicContact CG1-CE1 3.73Å; I79-F304 HydrophobicContact CG1-CE2 4.29Å; I79-F304 HydrophobicContact CG1-CZ 3.48Å; I79-F304 VanDerWaalsContact CG1-CZ 3.48Å; I79-F304 HydrophobicContact CG2-CD1 4.4Å; I79-F304 HydrophobicContact CG2-CE1 4.06Å; F83-F304 AromaticContact CE2-CD1 3.81Å; F83-F304 HydrophobicContact CE2-CD1 3.81Å; F83-F304 HydrophobicContact CE2-CE1 4.12Å; F83-F304 HydrophobicContact CZ-CD1 4.02Å; M300-F304 WeakPolarHBondContact O-CB 3.4Å; M300-F304 PolarHBondContact O-N 3.48Å; D301-F304 PolarHBondContact O-N 3.42Å; F304-N312 WeakPolarHBondContact CD2-OD1 3.32Å; F304-N312 PolarHBondContact O-ND2 3.38Å; F304-P314 HydrophobicContact CB-CG 4.17Å; F304-P314 HydrophobicContact CD2-CB 3.7Å; F304-P314 HydrophobicContact CD2-CG 3.76Å; F304-P314 HydrophobicContact CE2-CB 4.07Å; F304-P314 HydrophobicContact CG-CG 4.27Å; F304-V315 HydrophobicContact CD2-CG2 4.36Å; F304-V315 HydrophobicContact CE2-CG2 3.85Å; F304-H491 HydrophobicContact CB-CB 4.35Å; F304-H491 HydrophobicContact CD1-CB 3.83Å; F304-H491 AromaticContact CD1-CD2 3.81Å; F304-H491 AromaticContact CD1-CE1 3.85Å; F304-H491 AromaticContact CD1-CG 3.38Å; F304-H491 AromaticContact CD1-ND1 3.42Å; F304-H491 WeakPolarHBondContact CD1-ND1 3.43Å; F304-H491 HydrophobicContact CD2-CB 3.81Å; F304-H491 HydrophobicContact CE1-CB 4.03Å; F304-H491 AromaticContact CE1-CG 3.88Å; F304-H491 AromaticContact CE1-ND1 3.68Å; F304-H491 HydrophobicContact CE2-CB 4.02Å; F304-H491 HydrophobicContact CG-CB 3.71Å; F304-H491 AromaticContact CG-CD2 3.77Å; F304-H491 AromaticContact CG-CG 3.57Å; F304-H491 HydrophobicContact CZ-CB 4.13Å; F304-F494 AromaticContact CE1-CD1 3.8Å; F304-F494 HydrophobicContact CE1-CD1 3.8Å; F304-F494 HydrophobicContact CE1-CE1 4.05Å; F304-F494 AromaticContact CZ-CD1 3.57Å; F304-F494 HydrophobicContact CZ-CD1 3.57Å; F304-F494 AromaticContact CZ-CE1 3.89Å; F304-F494 HydrophobicContact CZ-CE1 3.89Å; F304-T495 WeakPolarHBondContact CE2-OG1 3.48Å
305	S	98.7	Very high	98.5	Very high	49 Å²	49	38.2 Å²	38.2	34%	0.343	21%	0.21	S	C	.	.	H	α-helix	trans	-82.4	-17.5	-175.2	56.6	0	0	0	0	114.9	D301 K302 H303	D301-S305 WeakPolarHBondContact O-CB 3.32Å; D301-S305 PolarHBondContact O-N 3Å; D301-S305 PolarHBondContact O-OG 3.39Å; K302-S305 PolarHBondContact O-N 3.22Å; K302-S305 PolarHBondContact O-OG 3.46Å; H303-S305 PolarHBondContact O-N 3.36Å
306	T	98.5	Very high	98.5	Very high	97 Å²	97	37.1 Å²	37.1	60%	0.595	20%	0.202	S	C	*	.	H	α-helix	trans	-123.7	-20.4	-172	67.4	0	0	0	0	115.2	K302 H303	K302-T306 WeakPolarHBondContact O-CB 3.46Å; K302-T306 PolarHBondContact O-N 3.48Å; K302-T306 VanDerWaalsContact O-N 3.08Å; K302-T306 PolarHBondContact O-OG1 3.26Å; H303-T306 PolarHBondContact O-N 3.38Å
307	T	98.7	Very high	98.5	Very high	36 Å²	36	37.2 Å²	37.2	22%	0.221	20%	0.202	C	C	.	.	S	Bend	trans	-78.4	133.8	-179	-59.1	0	0	0	0	111.2	H303 K311 N312	H303-T307 PolarHBondContact ND1-OG1 3.11Å; H303-T307 WeakPolarHBondContact O-CB 3.3Å; H303-T307 PolarHBondContact O-N 3.18Å; H303-T307 PolarHBondContact O-OG1 3.19Å; T307-K311 HydrophobicContact CG2-CB 3.75Å; T307-K311 WeakPolarHBondContact CG2-O 3.41Å; T307-N312 HydrophobicContact CG2-CB 4.34Å; T307-N312 PolarHBondContact O-ND2 2.65Å
308	P	98.1	Very high	98.5	Very high	83 Å²	83	37.2 Å²	37.2	54%	0.539	20%	0.202	S	C	.	.			trans	-51.3	143.3	172.3	-26.7	34.6	0	0	0	112.2	E310 K311 N312	P308-E310 WeakPolarHBondContact CB-OE2 3.37Å; P308-E310 PolarHBondContact O-N 3.45Å; P308-K311 CarbonylContact O-C 3.35Å; P308-K311 PolarHBondContact O-N 2.78Å; P308-N312 WeakPolarHBondContact O-CB 3.43Å; P308-N312 PolarHBondContact O-N 3.33Å; P308-N312 VanDerWaalsContact O-N 3.1Å
309	A	96.1	Very high	98.5	Very high	33 Å²	33	35.3 Å²	35.3	27%	0.273	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-57	-32.4	-168.8	0	0	0	0	0	113	Q67 K311 N312 V315	Q67-A309 VanDerWaalsContact NE2-C 3.29Å; Q67-A309 PolarHBondContact NE2-O 2.89Å; Q67-A309 VanDerWaalsContact OE1-CB 3.22Å; A309-K311 PolarHBondContact O-N 3.13Å; A309-N312 PolarHBondContact O-N 2.97Å; A309-V315 HydrophobicContact CB-CG1 4.43Å
310	E	95.9	Very high	98.5	Very high	114 Å²	114	34.2 Å²	34.2	53%	0.533	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-68.9	-17	179.6	-53.7	76.7	-166.1	0	0	113.6	P308	P308-E310 WeakPolarHBondContact CB-OE2 3.37Å; P308-E310 PolarHBondContact O-N 3.45Å
311	K	98	Very high	98.5	Very high	119 Å²	119	34.3 Å²	34.3	52%	0.517	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-119.7	5	177.7	-61.5	-60.5	-178.9	-172.6	0	112.6	H303 T307 P308 A309 L313	H303-K311 PolarHBondContact CE1-O 2.86Å; T307-K311 HydrophobicContact CG2-CB 3.75Å; T307-K311 WeakPolarHBondContact CG2-O 3.41Å; P308-K311 CarbonylContact O-C 3.35Å; P308-K311 PolarHBondContact O-N 2.78Å; A309-K311 PolarHBondContact O-N 3.13Å; K311-L313 PolarHBondContact O-N 2.81Å
312	N	98.8	Very high	98.5	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	18%	0.184	C	C	.	.			trans	-90.9	104.7	-173.7	-166.6	-43.5	0	0	0	110	F304 T307 P308 A309 P314 V315 L316	F304-N312 WeakPolarHBondContact CD2-OD1 3.32Å; F304-N312 PolarHBondContact O-ND2 3.38Å; T307-N312 HydrophobicContact CG2-CB 4.34Å; T307-N312 PolarHBondContact O-ND2 2.65Å; P308-N312 WeakPolarHBondContact O-CB 3.43Å; P308-N312 PolarHBondContact O-N 3.33Å; P308-N312 VanDerWaalsContact O-N 3.1Å; A309-N312 PolarHBondContact O-N 2.97Å; N312-P314 VanDerWaalsContact OD1-CD 3.29Å; N312-P314 WeakPolarHBondContact OD1-CD 3.4Å; N312-V315 HydrophobicContact CB-CB 4.03Å; N312-V315 HydrophobicContact CB-CG2 3.92Å; N312-V315 WeakPolarHBondContact O-CB 3.41Å; N312-V315 PolarHBondContact O-N 3.4Å; N312-L316 WeakPolarHBondContact O-CG 3.42Å; N312-L316 PolarHBondContact O-N 3.42Å
313	L	98.9	Very high	98.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-49.9	-172.4	-71.7	171.4	0	0	0	114	A43 F45 V51 H303 K311 V315 L316 L317 L488	A43-L313 HydrophobicContact CB-CD2 3.64Å; A43-L313 HydrophobicContact CB-CG 4.29Å; F45-L313 HydrophobicContact CB-CD1 3.7Å; V51-L313 HydrophobicContact CB-CD1 4.45Å; V51-L313 HydrophobicContact CB-CD2 3.63Å; V51-L313 HydrophobicContact CG1-CD2 4.03Å; V51-L313 HydrophobicContact CG2-CD1 3.87Å; V51-L313 HydrophobicContact CG2-CD2 3.92Å; V51-L313 HydrophobicContact CG2-CG 4.43Å; H303-L313 PolarHBondContact NE2-N 2.8Å; K311-L313 PolarHBondContact O-N 2.81Å; L313-V315 VanDerWaalsContact C-N 3.25Å; L313-V315 PolarHBondContact O-N 3.27Å; L313-L316 PolarHBondContact O-N 3.27Å; L313-L317 WeakPolarHBondContact O-CG 3.32Å; L313-L317 PolarHBondContact O-N 2.55Å; L313-L488 HydrophobicContact CB-CD1 3.73Å
314	P	98.9	Very high	98.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.2	-40.1	173.3	-22.5	24.9	0	0	0	113.8	M300 F304 N312 A318 L488 H491	M300-P314 HydrophobicContact SD-CG 4.12Å; F304-P314 HydrophobicContact CB-CG 4.17Å; F304-P314 HydrophobicContact CD2-CB 3.7Å; F304-P314 HydrophobicContact CD2-CG 3.76Å; F304-P314 HydrophobicContact CE2-CB 4.07Å; F304-P314 HydrophobicContact CG-CG 4.27Å; N312-P314 VanDerWaalsContact OD1-CD 3.29Å; N312-P314 WeakPolarHBondContact OD1-CD 3.4Å; P314-A318 VanDerWaalsContact O-CB 3.24Å; P314-A318 WeakPolarHBondContact O-CB 3.22Å; P314-A318 PolarHBondContact O-N 2.89Å; P314-L488 HydrophobicContact CB-CD1 4.38Å; P314-L488 HydrophobicContact CG-CD1 3.81Å; P314-H491 HydrophobicContact CB-CB 3.48Å; P314-H491 VanDerWaalsContact CB-CB 3.48Å; P314-H491 HydrophobicContact CG-CB 3.77Å
315	V	98.9	Very high	98.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-47.2	179	179.1	0	0	0	0	110.8	L75 F304 A309 N312 L313 L317 A318 L319 T495	L75-V315 HydrophobicContact CD2-CG1 3.91Å; L75-V315 HydrophobicContact CD2-CG2 3.87Å; F304-V315 HydrophobicContact CD2-CG2 4.36Å; F304-V315 HydrophobicContact CE2-CG2 3.85Å; A309-V315 HydrophobicContact CB-CG1 4.43Å; N312-V315 HydrophobicContact CB-CB 4.03Å; N312-V315 HydrophobicContact CB-CG2 3.92Å; N312-V315 WeakPolarHBondContact O-CB 3.41Å; N312-V315 PolarHBondContact O-N 3.4Å; L313-V315 VanDerWaalsContact C-N 3.25Å; L313-V315 PolarHBondContact O-N 3.27Å; V315-L317 PolarHBondContact O-N 3.05Å; V315-A318 WeakPolarHBondContact O-CB 3.41Å; V315-A318 PolarHBondContact O-N 3.48Å; V315-L319 HydrophobicContact CG1-CD1 3.84Å; V315-L319 HydrophobicContact CG1-CG 4.19Å; V315-L319 WeakPolarHBondContact O-CB 3.28Å; V315-L319 VanDerWaalsContact O-CG 3.24Å; V315-L319 WeakPolarHBondContact O-CG 3.38Å; V315-L319 PolarHBondContact O-N 3.46Å; V315-T495 HydrophobicContact CG1-CG2 4.45Å; V315-T495 HydrophobicContact CG2-CG2 4.45Å
316	L	98.9	Very high	98.5	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-48.1	177.9	-70.1	164.5	0	0	0	111.3	Y53 L63 N312 L313 A318 L319 I320	Y53-L316 HydrophobicContact CE1-CD1 3.98Å; L63-L316 HydrophobicContact CD2-CD2 4.27Å; N312-L316 WeakPolarHBondContact O-CG 3.42Å; N312-L316 PolarHBondContact O-N 3.42Å; L313-L316 PolarHBondContact O-N 3.27Å; L316-A318 VanDerWaalsContact C-N 3.35Å; L316-A318 PolarHBondContact O-N 3.11Å; L316-L319 PolarHBondContact O-N 2.8Å; L316-I320 WeakPolarHBondContact O-CB 3.44Å; L316-I320 WeakPolarHBondContact O-CD1 3.37Å; L316-I320 VanDerWaalsContact O-CG1 3.22Å; L316-I320 WeakPolarHBondContact O-CG1 3.36Å; L316-I320 PolarHBondContact O-N 2.85Å
317	L	99	Very high	98.5	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-37.8	177.3	-67.2	179.9	0	0	0	112.4	V51 L313 V315 G321 N470 L488 K492	V51-L317 HydrophobicContact CG1-CD1 4.42Å; V51-L317 HydrophobicContact CG1-CD2 4.02Å; V51-L317 HydrophobicContact CG1-CG 4.46Å; L313-L317 WeakPolarHBondContact O-CG 3.32Å; L313-L317 PolarHBondContact O-N 2.55Å; V315-L317 PolarHBondContact O-N 3.05Å; L317-G321 PolarHBondContact O-N 3.28Å; L317-N470 HydrophobicContact CD2-CB 4.42Å; L317-L488 HydrophobicContact CD1-CD1 4Å; L317-L488 HydrophobicContact CD1-CD2 3.85Å; L317-L488 HydrophobicContact CD1-CG 3.97Å; L317-K492 HydrophobicContact CB-CD 4.17Å; L317-K492 HydrophobicContact CB-CG 4.19Å
318	A	99	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-45.6	177	0	0	0	0	0	111.8	P314 V315 L316 G321 I322 K492 T495 Q496	P314-A318 VanDerWaalsContact O-CB 3.24Å; P314-A318 WeakPolarHBondContact O-CB 3.22Å; P314-A318 PolarHBondContact O-N 2.89Å; V315-A318 WeakPolarHBondContact O-CB 3.41Å; V315-A318 PolarHBondContact O-N 3.48Å; L316-A318 VanDerWaalsContact C-N 3.35Å; L316-A318 PolarHBondContact O-N 3.11Å; A318-G321 PolarHBondContact O-N 3.16Å; A318-I322 WeakPolarHBondContact O-CG1 3.22Å; A318-I322 PolarHBondContact O-N 3.4Å; A318-K492 HydrophobicContact CB-CG 4.07Å; A318-K492 WeakPolarHBondContact CB-O 3.49Å; A318-T495 HydrophobicContact CB-CG2 3.49Å; A318-T495 VanDerWaalsContact CB-CG2 3.49Å; A318-Q496 HydrophobicContact CB-CG 3.77Å; A318-Q496 PolarHBondContact O-NE2 3.06Å
319	L	98.9	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-42.5	178.8	-72.7	179.5	0	0	0	112.3	L66 Q67 A70 V315 L316 G321 I322 W323 I499	L66-L319 HydrophobicContact CB-CB 4.03Å; L66-L319 HydrophobicContact CB-CD1 3.98Å; L66-L319 HydrophobicContact CB-CD2 4.07Å; L66-L319 HydrophobicContact CB-CG 4.24Å; L66-L319 HydrophobicContact CD1-CB 4.27Å; L66-L319 VanDerWaalsContact O-CD2 3.3Å; L66-L319 WeakPolarHBondContact O-CD2 3.46Å; Q67-L319 HydrophobicContact CG-CD1 4.16Å; A70-L319 HydrophobicContact CB-CD2 4.25Å; V315-L319 HydrophobicContact CG1-CD1 3.84Å; V315-L319 HydrophobicContact CG1-CG 4.19Å; V315-L319 WeakPolarHBondContact O-CB 3.28Å; V315-L319 VanDerWaalsContact O-CG 3.24Å; V315-L319 WeakPolarHBondContact O-CG 3.38Å; V315-L319 PolarHBondContact O-N 3.46Å; L316-L319 PolarHBondContact O-N 2.8Å; L319-G321 VanDerWaalsContact C-N 3.32Å; L319-G321 PolarHBondContact O-N 3.4Å; L319-I322 PolarHBondContact O-N 2.79Å; L319-W323 PolarHBondContact O-N 2.96Å; L319-I499 HydrophobicContact CD2-CD1 3.65Å
320	I	98.9	Very high	98.7	Very high	2 Å²	2	19 Å²	19	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-40.5	174	-67.6	166.8	0	0	0	110.6	Y53 I58 L316 W323 Y324	Y53-I320 HydrophobicContact CD2-CD1 3.93Å; Y53-I320 HydrophobicContact CG-CD1 3.96Å; I58-I320 HydrophobicContact CD1-CD1 3.97Å; I58-I320 HydrophobicContact CD1-CG1 4.08Å; L316-I320 WeakPolarHBondContact O-CB 3.44Å; L316-I320 WeakPolarHBondContact O-CD1 3.37Å; L316-I320 VanDerWaalsContact O-CG1 3.22Å; L316-I320 WeakPolarHBondContact O-CG1 3.36Å; L316-I320 PolarHBondContact O-N 2.85Å; I320-W323 WeakPolarHBondContact O-CB 3.48Å; I320-W323 PolarHBondContact O-N 3.16Å; I320-Y324 HydrophobicContact CG2-CD2 4.03Å; I320-Y324 HydrophobicContact CG2-CE2 3.43Å; I320-Y324 VanDerWaalsContact CG2-CE2 3.43Å; I320-Y324 WeakPolarHBondContact O-CD2 3.47Å; I320-Y324 PolarHBondContact O-N 2.83Å
321	G	98.9	Very high	98.8	Very high	3 Å²	3	20 Å²	20	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-44.9	173.1	0	0	0	0	0	112.7	L317 A318 L319 W323 Y324 N325	L317-G321 PolarHBondContact O-N 3.28Å; A318-G321 PolarHBondContact O-N 3.16Å; L319-G321 VanDerWaalsContact C-N 3.32Å; L319-G321 PolarHBondContact O-N 3.4Å; G321-W323 VanDerWaalsContact C-N 3.31Å; G321-W323 PolarHBondContact O-N 3.38Å; G321-Y324 PolarHBondContact O-N 2.92Å; G321-N325 VanDerWaalsContact O-CB 3.25Å; G321-N325 WeakPolarHBondContact O-CB 3.38Å; G321-N325 PolarHBondContact O-N 3.27Å
322	I	98.9	Very high	98.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-39.4	176	-71.5	168.4	0	0	0	111.2	L69 A318 L319 Y324 N325 N326 F327 Q496 I499 L500	L69-I322 HydrophobicContact CD2-CG2 4.48Å; A318-I322 WeakPolarHBondContact O-CG1 3.22Å; A318-I322 PolarHBondContact O-N 3.4Å; L319-I322 PolarHBondContact O-N 2.79Å; I322-Y324 VanDerWaalsContact C-N 3.29Å; I322-Y324 PolarHBondContact O-N 2.65Å; I322-N325 PolarHBondContact O-N 3.48Å; I322-N326 HydrophobicContact CG2-CB 4.3Å; I322-N326 WeakPolarHBondContact O-CB 3.45Å; I322-N326 PolarHBondContact O-N 2.97Å; I322-F327 HydrophobicContact CG2-CE2 4.38Å; I322-Q496 HydrophobicContact CD1-CG 4.37Å; I322-Q496 HydrophobicContact CG1-CG 4.22Å; I322-I499 HydrophobicContact CD1-CB 3.84Å; I322-I499 HydrophobicContact CD1-CD1 3.68Å; I322-I499 HydrophobicContact CD1-CG1 4.36Å; I322-I499 HydrophobicContact CD1-CG2 3.73Å; I322-L500 HydrophobicContact CG1-CD1 4.46Å
323	W	99	Very high	98.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-54.9	-46.7	176.2	-177.3	-124.1	0	0	0	111.8	L15 H18 F19 M22 R57 I58 T62 L66 L319 I320 G321 F327 F328	L15-W323 HydrophobicContact CD2-CE3 4.25Å; L15-W323 HydrophobicContact CD2-CZ3 4.02Å; H18-W323 AromaticContact CD2-CH2 3.91Å; F19-W323 HydrophobicContact CB-CH2 3.67Å; F19-W323 HydrophobicContact CB-CZ3 4.04Å; F19-W323 AromaticContact CD2-CH2 3.94Å; F19-W323 HydrophobicContact CD2-CH2 3.94Å; F19-W323 HydrophobicContact CD2-CZ2 4.11Å; F19-W323 HydrophobicContact CD2-CZ3 4.46Å; F19-W323 HydrophobicContact CG-CH2 4.32Å; M22-W323 HydrophobicContact CB-CH2 4.42Å; M22-W323 HydrophobicContact CB-CZ2 3.94Å; M22-W323 HydrophobicContact CG-CZ2 4.42Å; R57-W323 PolarHBondContact O-NE1 2.95Å; I58-W323 HydrophobicContact CG2-CG 4.48Å; T62-W323 HydrophobicContact CG2-CD2 4.06Å; T62-W323 HydrophobicContact CG2-CE3 4.39Å; T62-W323 HydrophobicContact CG2-CH2 4.29Å; T62-W323 HydrophobicContact CG2-CZ2 3.95Å; T62-W323 HydrophobicContact CG2-CZ3 4.5Å; L66-W323 HydrophobicContact CD1-CB 4.2Å; L66-W323 HydrophobicContact CD2-CB 4.36Å; L319-W323 PolarHBondContact O-N 2.96Å; I320-W323 WeakPolarHBondContact O-CB 3.48Å; I320-W323 PolarHBondContact O-N 3.16Å; G321-W323 VanDerWaalsContact C-N 3.31Å; G321-W323 PolarHBondContact O-N 3.38Å; W323-F327 HydrophobicContact CE3-CB 4.01Å; W323-F327 AromaticContact CE3-CD2 3.57Å; W323-F327 HydrophobicContact CE3-CD2 3.57Å; W323-F327 HydrophobicContact CE3-CE2 4.22Å; W323-F327 AromaticContact CE3-CG 3.8Å; W323-F327 HydrophobicContact CE3-CG 3.8Å; W323-F327 HydrophobicContact CZ3-CB 4.07Å; W323-F327 HydrophobicContact CZ3-CD1 4.26Å; W323-F327 HydrophobicContact CZ3-CD2 4.01Å; W323-F327 AromaticContact CZ3-CG 3.83Å; W323-F327 HydrophobicContact CZ3-CG 3.83Å; W323-F327 WeakPolarHBondContact O-CB 3.4Å; W323-F327 PolarHBondContact O-N 2.96Å; W323-F328 AromaticContact CD1-CE2 3.97Å; W323-F328 HydrophobicContact CD2-CE2 4.47Å; W323-F328 AromaticContact CE2-CE2 3.7Å; W323-F328 HydrophobicContact CZ2-CE2 4.05Å; W323-F328 AromaticContact NE1-CE2 3.42Å; W323-F328 PolarHBondContact O-N 2.8Å
324	Y	98.9	Very high	98.9	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.012	9%	0.094	C	C	.	.	I	π-helix	trans	-76.3	-41.9	178.7	-60.7	-52.9	0	0	0	113.6	N56 R57 I320 G321 I322 F328 G329 A330 M398 P400 P468	N56-Y324 VanDerWaalsContact CA-OH 3.25Å; N56-Y324 WeakPolarHBondContact CA-OH 3.46Å; N56-Y324 WeakPolarHBondContact CB-OH 3.17Å; N56-Y324 VanDerWaalsContact CG-OH 3.27Å; N56-Y324 VanDerWaalsContact OD1-CE2 3.26Å; N56-Y324 WeakPolarHBondContact OD1-CE2 3.31Å; N56-Y324 PolarHBondContact OD1-OH 2.81Å; R57-Y324 HydrophobicContact CB-CE1 4.38Å; R57-Y324 PolarHBondContact N-OH 2.84Å; I320-Y324 HydrophobicContact CG2-CD2 4.03Å; I320-Y324 HydrophobicContact CG2-CE2 3.43Å; I320-Y324 VanDerWaalsContact CG2-CE2 3.43Å; I320-Y324 WeakPolarHBondContact O-CD2 3.47Å; I320-Y324 PolarHBondContact O-N 2.83Å; G321-Y324 PolarHBondContact O-N 2.92Å; I322-Y324 VanDerWaalsContact C-N 3.29Å; I322-Y324 PolarHBondContact O-N 2.65Å; Y324-F328 AromaticContact CD1-CD2 3.79Å; Y324-F328 HydrophobicContact CD1-CD2 3.79Å; Y324-F328 HydrophobicContact CD1-CE2 4.26Å; Y324-F328 HydrophobicContact CD1-CG 4.29Å; Y324-F328 HydrophobicContact CE1-CD2 4.31Å; Y324-F328 HydrophobicContact CE1-CE2 4.32Å; Y324-F328 CarbonylContact O-C 3.46Å; Y324-F328 WeakPolarHBondContact O-CB 3.21Å; Y324-F328 PolarHBondContact O-N 3.46Å; Y324-G329 PolarHBondContact O-N 2.95Å; Y324-A330 PolarHBondContact O-N 2.95Å; Y324-M398 HydrophobicContact CD1-CE 3.99Å; Y324-P400 HydrophobicContact CD1-CG 4.38Å; Y324-P400 HydrophobicContact CD2-CB 3.77Å; Y324-P400 HydrophobicContact CD2-CG 3.49Å; Y324-P400 VanDerWaalsContact CD2-CG 3.49Å; Y324-P400 HydrophobicContact CE2-CB 4.23Å; Y324-P400 HydrophobicContact CE2-CG 4.27Å; Y324-P400 HydrophobicContact CG-CB 4.35Å; Y324-P400 HydrophobicContact CG-CG 3.56Å; Y324-P468 HydrophobicContact CD1-CG 4.31Å; Y324-P468 HydrophobicContact CE1-CB 3.98Å; Y324-P468 HydrophobicContact CE1-CG 3.77Å; Y324-P468 HydrophobicContact CE2-CB 3.92Å; Y324-P468 HydrophobicContact CE2-CG 4.05Å; Y324-P468 VanDerWaalsContact CZ-CB 3.41Å; Y324-P468 WeakPolarHBondContact OH-CB 3.41Å
325	N	98.9	Very high	98.9	Very high	10 Å²	10	16.4 Å²	16.4	5%	0.053	10%	0.095	C	C	.	.	I	π-helix	trans	-68.4	-45.6	-176.6	-177.5	70.5	0	0	0	112.3	G321 I322 G329 T372	G321-N325 VanDerWaalsContact O-CB 3.25Å; G321-N325 WeakPolarHBondContact O-CB 3.38Å; G321-N325 PolarHBondContact O-N 3.27Å; I322-N325 PolarHBondContact O-N 3.48Å; N325-G329 WeakPolarHBondContact O-CA 3.33Å; N325-T372 PolarHBondContact ND2-O 2.95Å
326	N	98.9	Very high	98.9	Very high	24 Å²	24	16.3 Å²	16.3	13%	0.128	9%	0.094	C	C	.	.	I	π-helix	trans	-98.1	-26.8	-168.8	-67.4	83.8	0	0	0	114.3	W12 I322 Q371	W12-N326 HydrophobicContact CH2-CB 3.62Å; W12-N326 HydrophobicContact CZ2-CB 4.16Å; W12-N326 HydrophobicContact CZ3-CB 4.49Å; I322-N326 HydrophobicContact CG2-CB 4.3Å; I322-N326 WeakPolarHBondContact O-CB 3.45Å; I322-N326 PolarHBondContact O-N 2.97Å; N326-Q371 PolarHBondContact ND2-O 2.91Å
327	F	98.9	Very high	98.9	Very high	14 Å²	14	16.3 Å²	16.3	6%	0.061	9%	0.094	C	C	.	.	I	π-helix	trans	-104.6	-48.4	-179.2	-59.7	-88	0	0	0	111.8	W12 L15 Q16 F19 I322 W323 G329	W12-F327 AromaticContact CD2-CZ 3.99Å; W12-F327 HydrophobicContact CD2-CZ 3.99Å; W12-F327 HydrophobicContact CE3-CZ 4.14Å; W12-F327 HydrophobicContact CH2-CZ 4.42Å; W12-F327 HydrophobicContact CZ2-CZ 4.23Å; W12-F327 HydrophobicContact CZ3-CZ 4.36Å; L15-F327 HydrophobicContact CB-CD1 4.38Å; L15-F327 HydrophobicContact CB-CE1 3.5Å; L15-F327 VanDerWaalsContact CB-CE1 3.5Å; L15-F327 HydrophobicContact CB-CE2 4.11Å; L15-F327 HydrophobicContact CB-CZ 3.33Å; L15-F327 HydrophobicContact CD1-CE2 4.09Å; L15-F327 HydrophobicContact CD1-CZ 3.8Å; L15-F327 HydrophobicContact CG-CZ 4.13Å; Q16-F327 HydrophobicContact CB-CE1 4.41Å; F19-F327 HydrophobicContact CB-CB 4.25Å; F19-F327 HydrophobicContact CB-CD1 4.22Å; F19-F327 HydrophobicContact CD2-CB 3.69Å; F19-F327 WeakPolarHBondContact CE1-O 3.3Å; F19-F327 HydrophobicContact CE2-CB 4.18Å; F19-F327 HydrophobicContact CG-CB 3.9Å; F19-F327 WeakPolarHBondContact CZ-O 3.48Å; I322-F327 HydrophobicContact CG2-CE2 4.38Å; W323-F327 HydrophobicContact CE3-CB 4.01Å; W323-F327 AromaticContact CE3-CD2 3.57Å; W323-F327 HydrophobicContact CE3-CD2 3.57Å; W323-F327 HydrophobicContact CE3-CE2 4.22Å; W323-F327 AromaticContact CE3-CG 3.8Å; W323-F327 HydrophobicContact CE3-CG 3.8Å; W323-F327 HydrophobicContact CZ3-CB 4.07Å; W323-F327 HydrophobicContact CZ3-CD1 4.26Å; W323-F327 HydrophobicContact CZ3-CD2 4.01Å; W323-F327 AromaticContact CZ3-CG 3.83Å; W323-F327 HydrophobicContact CZ3-CG 3.83Å; W323-F327 WeakPolarHBondContact O-CB 3.4Å; W323-F327 PolarHBondContact O-N 2.96Å; F327-G329 VanDerWaalsContact C-N 3.34Å
328	F	98.8	Very high	98.9	Very high	40 Å²	40	16.2 Å²	16.2	18%	0.175	9%	0.094	C	C	.	.	I	π-helix	trans	-76.6	-20.2	173.1	-78.6	-90.8	0	0	0	114	F19 R57 W323 Y324 M398	F19-F328 HydrophobicContact CD2-CD2 4.17Å; F19-F328 HydrophobicContact CD2-CE2 4.06Å; F19-F328 HydrophobicContact CD2-CZ 4.4Å; F19-F328 HydrophobicContact CE2-CB 4.37Å; F19-F328 AromaticContact CE2-CD1 3.77Å; F19-F328 HydrophobicContact CE2-CD1 3.77Å; F19-F328 AromaticContact CE2-CD2 3.63Å; F19-F328 HydrophobicContact CE2-CD2 3.63Å; F19-F328 AromaticContact CE2-CE1 3.86Å; F19-F328 HydrophobicContact CE2-CE1 3.86Å; F19-F328 AromaticContact CE2-CE2 3.71Å; F19-F328 HydrophobicContact CE2-CE2 3.71Å; F19-F328 AromaticContact CE2-CG 3.65Å; F19-F328 HydrophobicContact CE2-CG 3.65Å; F19-F328 AromaticContact CE2-CZ 3.84Å; F19-F328 HydrophobicContact CE2-CZ 3.84Å; F19-F328 HydrophobicContact CZ-CD1 4.29Å; F19-F328 HydrophobicContact CZ-CG 4.35Å; R57-F328 HydrophobicContact CB-CZ 4.34Å; R57-F328 VanDerWaalsContact NH1-CE1 3.33Å; W323-F328 AromaticContact CD1-CE2 3.97Å; W323-F328 HydrophobicContact CD2-CE2 4.47Å; W323-F328 AromaticContact CE2-CE2 3.7Å; W323-F328 HydrophobicContact CZ2-CE2 4.05Å; W323-F328 AromaticContact NE1-CE2 3.42Å; W323-F328 PolarHBondContact O-N 2.8Å; Y324-F328 AromaticContact CD1-CD2 3.79Å; Y324-F328 HydrophobicContact CD1-CD2 3.79Å; Y324-F328 HydrophobicContact CD1-CE2 4.26Å; Y324-F328 HydrophobicContact CD1-CG 4.29Å; Y324-F328 HydrophobicContact CE1-CD2 4.31Å; Y324-F328 HydrophobicContact CE1-CE2 4.32Å; Y324-F328 CarbonylContact O-C 3.46Å; Y324-F328 WeakPolarHBondContact O-CB 3.21Å; Y324-F328 PolarHBondContact O-N 3.46Å; F328-M398 HydrophobicContact CB-CE 3.23Å; F328-M398 HydrophobicContact CD1-CE 3.42Å; F328-M398 VanDerWaalsContact CD1-CE 3.42Å; F328-M398 HydrophobicContact CD1-SD 4.28Å; F328-M398 HydrophobicContact CD2-CE 4.27Å; F328-M398 HydrophobicContact CE1-CE 4.33Å; F328-M398 HydrophobicContact CG-CE 3.39Å
329	G	98.6	Very high	98.9	Very high	47 Å²	47	17 Å²	17	49%	0.485	10%	0.098	S	C	.	.			trans	72.7	28.2	-178	0	0	0	0	0	114.1	Y324 N325 F327 E331	Y324-G329 PolarHBondContact O-N 2.95Å; N325-G329 WeakPolarHBondContact O-CA 3.33Å; F327-G329 VanDerWaalsContact C-N 3.34Å; G329-E331 PolarHBondContact O-N 3.45Å
330	A	98.8	Very high	98.9	Very high	10 Å²	10	22 Å²	22	8%	0.083	12%	0.121	C	C	.	.			trans	-74.6	114.5	175.2	0	0	0	0	0	110.7	Y324 T332 M398 P400	Y324-A330 PolarHBondContact O-N 2.95Å; A330-T332 VanDerWaalsContact C-N 3.3Å; A330-T332 PolarHBondContact O-N 2.85Å; A330-M398 HydrophobicContact CB-CE 4.14Å; A330-P400 HydrophobicContact CB-CG 4.35Å
331	E	98.9	Very high	98.9	Very high	135 Å²	135	24.8 Å²	24.8	63%	0.631	13%	0.132	S	C	*	.			trans	-73.3	-17.3	-175.5	-64.7	180	-172.6	0	0	114.4	G329 I375	G329-E331 PolarHBondContact O-N 3.45Å; E331-I375 PolarHBondContact O-N 2.85Å
332	T	98.9	Very high	98.9	Very high	29 Å²	29	24.7 Å²	24.7	18%	0.178	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	147	-168.3	83.2	0	0	0	0	112.9	A330 I375 W377 P400	A330-T332 VanDerWaalsContact C-N 3.3Å; A330-T332 PolarHBondContact O-N 2.85Å; T332-I375 CarbonylContact C-O 3.59Å; T332-I375 WeakPolarHBondContact CA-O 3.5Å; T332-I375 WeakPolarHBondContact CB-O 3.48Å; T332-I375 HydrophobicContact CG2-CB 4.11Å; T332-W377 PolarHBondContact OG1-NE1 3.2Å; T332-W377 VanDerWaalsContact OG1-NE1 3.12Å; T332-P400 WeakPolarHBondContact O-CD 3.41Å
333	E	98.9	Very high	98.9	Very high	17 Å²	17	27 Å²	27	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.2	164.8	-60.4	-178.9	135.1	0	0	109.6	P374 I375 I376 W377 P400 K492	E333-P374 HydrophobicContact CG-CB 4.17Å; E333-P374 HydrophobicContact CG-CG 3.96Å; E333-I375 PolarHBondContact N-O 3.26Å; E333-I376 HydrophobicContact CB-CD1 3.77Å; E333-I376 HydrophobicContact CG-CD1 4.42Å; E333-W377 PolarHBondContact O-N 3.4Å; E333-P400 WeakPolarHBondContact CA-O 3.32Å; E333-K492 IonicContact OE1-NZ 2.62Å; E333-K492 PolarHBondContact OE1-NZ 3.32Å; E333-K492 IonicContact OE2-NZ 2.71Å; E333-K492 PolarHBondContact OE2-NZ 3.12Å
334	A	98.9	Very high	98.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.4	175.3	0	0	0	0	0	111.1	L336 W377 V399 P400 C401 D402	A334-L336 HydrophobicContact CB-CD1 4.14Å; A334-L336 HydrophobicContact CB-CD2 4.19Å; A334-L336 HydrophobicContact CB-CG 4.08Å; A334-W377 CarbonylContact C-O 3.6Å; A334-W377 VanDerWaalsContact CA-O 3.26Å; A334-W377 WeakPolarHBondContact CA-O 3.42Å; A334-W377 HydrophobicContact CB-CD2 4.43Å; A334-W377 HydrophobicContact CB-CZ2 4.21Å; A334-V399 HydrophobicContact CB-CG1 3.74Å; A334-P400 PolarHBondContact N-O 3.32Å; A334-C401 HydrophobicContact CB-CB 4.44Å; A334-C401 CarbonylContact O-C 3.59Å; A334-C401 VanDerWaalsContact O-CA 3.31Å; A334-C401 WeakPolarHBondContact O-CA 3.37Å; A334-D402 PolarHBondContact O-N 3.21Å
335	I	98.9	Very high	98.9	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.5	172.6	-58.1	177.1	0	0	0	107.9	P337 F345 A346 F349 I376 W377 G378 I404 Y489	I335-P337 HydrophobicContact CG2-CG 4.46Å; I335-P337 WeakPolarHBondContact O-CD 3.23Å; I335-F345 HydrophobicContact CG2-CD1 3.75Å; I335-F345 HydrophobicContact CG2-CE1 4Å; I335-A346 HydrophobicContact CB-CB 4.17Å; I335-F349 HydrophobicContact CD1-CB 3.81Å; I335-F349 HydrophobicContact CD1-CD2 4.35Å; I335-F349 HydrophobicContact CD1-CG 4.3Å; I335-I376 HydrophobicContact CD1-CG2 3.72Å; I335-I376 HydrophobicContact CG1-CG2 4.18Å; I335-W377 PolarHBondContact N-O 2.8Å; I335-G378 WeakPolarHBondContact O-CA 3.38Å; I335-I404 HydrophobicContact CG2-CD1 3.96Å; I335-Y489 HydrophobicContact CD1-CE1 4.14Å
336	L	98.9	Very high	98.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	76.5	-165.2	-56.4	173.5	0	0	0	110.9	A334 Y338 F388 Y389 C401 D402 F403 I404	A334-L336 HydrophobicContact CB-CD1 4.14Å; A334-L336 HydrophobicContact CB-CD2 4.19Å; A334-L336 HydrophobicContact CB-CG 4.08Å; L336-Y338 WeakPolarHBondContact O-CD2 3.31Å; L336-Y338 PolarHBondContact O-N 2.84Å; L336-F388 HydrophobicContact CD2-CE2 3.9Å; L336-F388 HydrophobicContact CD2-CZ 3.88Å; L336-Y389 HydrophobicContact CD1-CE1 3.88Å; L336-Y389 WeakPolarHBondContact CD1-OH 3.16Å; L336-Y389 HydrophobicContact CD2-CE1 4.21Å; L336-C401 HydrophobicContact CD1-CB 3.88Å; L336-D402 PolarHBondContact N-O 2.95Å; L336-F403 HydrophobicContact CD1-CD2 4.32Å; L336-F403 HydrophobicContact CD1-CE2 3.76Å; L336-F403 HydrophobicContact CD1-CZ 3.92Å; L336-I404 PolarHBondContact O-N 2.91Å
337	P	98.9	Very high	98.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.013	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121.3	178.3	-12	27	0	0	0	111	I335 D339 M342 F345 P380 G381 I404	I335-P337 HydrophobicContact CG2-CG 4.46Å; I335-P337 WeakPolarHBondContact O-CD 3.23Å; P337-D339 PolarHBondContact O-N 3.5Å; P337-M342 HydrophobicContact CB-CB 3.72Å; P337-M342 HydrophobicContact CB-CE 4.15Å; P337-M342 HydrophobicContact CB-SD 4.18Å; P337-M342 HydrophobicContact CG-CB 4.14Å; P337-M342 HydrophobicContact CG-CE 4.38Å; P337-F345 HydrophobicContact CG-CB 4.14Å; P337-F345 HydrophobicContact CG-CD1 4.28Å; P337-P380 CarbonylContact O-C 3.43Å; P337-P380 WeakPolarHBondContact O-CA 3.45Å; P337-P380 WeakPolarHBondContact O-CB 3.5Å; P337-G381 PolarHBondContact O-N 3.2Å; P337-I404 CarbonylContact C-O 3.56Å; P337-I404 WeakPolarHBondContact CA-O 3.48Å; P337-I404 HydrophobicContact CB-CB 4.49Å
338	Y	98.9	Very high	98.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-80.2	57.1	167.8	-80.2	-117.3	0	0	0	109.3	L336 T382 Q385 Y389 F403 I404 L420 N423 F424 Q427	L336-Y338 WeakPolarHBondContact O-CD2 3.31Å; L336-Y338 PolarHBondContact O-N 2.84Å; Y338-T382 HydrophobicContact CD1-CG2 4.5Å; Y338-T382 HydrophobicContact CE1-CG2 4.09Å; Y338-Q385 PolarHBondContact OH-OE1 3.14Å; Y338-Y389 WeakPolarHBondContact OH-CE2 3.29Å; Y338-Y389 PolarHBondContact OH-OH 2.62Å; Y338-Y389 VanDerWaalsContact OH-OH 3.13Å; Y338-F403 AromaticContact CD2-CD1 3.99Å; Y338-F403 HydrophobicContact CD2-CD1 3.99Å; Y338-F403 HydrophobicContact CD2-CE1 4.5Å; Y338-F403 AromaticContact CE2-CD1 3.34Å; Y338-F403 HydrophobicContact CE2-CD1 3.34Å; Y338-F403 AromaticContact CE2-CE1 3.45Å; Y338-F403 HydrophobicContact CE2-CE1 3.45Å; Y338-F403 VanDerWaalsContact CE2-CE1 3.45Å; Y338-F403 HydrophobicContact CE2-CG 4.47Å; Y338-F403 AromaticContact CZ-CD1 4Å; Y338-F403 AromaticContact CZ-CE1 3.77Å; Y338-F403 WeakPolarHBondContact OH-CE1 3.21Å; Y338-I404 PolarHBondContact N-O 3.22Å; Y338-L420 HydrophobicContact CD1-CD1 3.82Å; Y338-L420 HydrophobicContact CD1-CG 4.44Å; Y338-L420 HydrophobicContact CG-CD1 4.45Å; Y338-L420 WeakPolarHBondContact O-CD2 3.25Å; Y338-N423 HydrophobicContact CE1-CB 3.89Å; Y338-F424 HydrophobicContact CD1-CB 3.63Å; Y338-F424 HydrophobicContact CD2-CB 4.42Å; Y338-F424 AromaticContact CD2-CD2 3.99Å; Y338-F424 HydrophobicContact CD2-CD2 3.99Å; Y338-F424 HydrophobicContact CE1-CB 4.07Å; Y338-F424 HydrophobicContact CG-CB 3.85Å; Y338-F424 HydrophobicContact CG-CD2 4.03Å; Y338-F424 HydrophobicContact CG-CG 4.44Å; Y338-Q427 WeakPolarHBondContact OH-CG 3.44Å
339	D	98.9	Very high	98.9	Very high	17 Å²	17	27.2 Å²	27.2	9%	0.091	14%	0.142	C	C	.	.			trans	-154.8	127.4	178.2	-179.2	-82.4	0	0	0	109.2	P337 Y341 M342 P380	P337-D339 PolarHBondContact O-N 3.5Å; D339-Y341 WeakPolarHBondContact OD1-CA 3.5Å; D339-Y341 VanDerWaalsContact OD1-CB 3.29Å; D339-Y341 WeakPolarHBondContact OD1-CB 3.34Å; D339-Y341 PolarHBondContact OD1-N 3.44Å; D339-M342 HydrophobicContact CB-CB 4.16Å; D339-M342 HydrophobicContact CB-CG 4.09Å; D339-M342 HydrophobicContact CB-SD 4.09Å; D339-M342 PolarHBondContact O-N 2.9Å; D339-M342 WeakPolarHBondContact OD1-CG 3.48Å; D339-M342 PolarHBondContact OD1-N 3.5Å; D339-P380 WeakPolarHBondContact O-CB 3.24Å
340	Q	98.9	Very high	98.9	Very high	105 Å²	105	28.9 Å²	28.9	49%	0.491	14%	0.137	S	C	.	.	S	Bend	trans	-77.3	-26.9	-174.9	-176.4	56.8	68.8	0	0	112.9	M342 H343 N383	Q340-M342 VanDerWaalsContact C-N 3.25Å; Q340-M342 PolarHBondContact O-N 3.31Å; Q340-H343 WeakPolarHBondContact O-CB 3.26Å; Q340-H343 PolarHBondContact O-N 3.12Å; Q340-N383 PolarHBondContact OE1-ND2 2.68Å
341	Y	98.9	Very high	98.9	Very high	59 Å²	59	29.5 Å²	29.5	23%	0.231	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-30	173.9	-70.5	-58.2	0	0	0	110.9	E167 A168 R170 P171 D339 H343 N411	E167-Y341 CarbonylContact C-O 3.53Å; E167-Y341 WeakPolarHBondContact O-CB 3.4Å; E167-Y341 WeakPolarHBondContact O-CD1 3.49Å; A168-Y341 WeakPolarHBondContact CA-O 3.34Å; A168-Y341 PolarHBondContact N-O 2.8Å; R170-Y341 HydrophobicContact CB-CD1 3.62Å; R170-Y341 HydrophobicContact CB-CE1 3.4Å; R170-Y341 VanDerWaalsContact CB-CE1 3.4Å; R170-Y341 HydrophobicContact CG-CD1 4.37Å; R170-Y341 HydrophobicContact CG-CE1 4.27Å; P171-Y341 HydrophobicContact CG-CD2 3.9Å; P171-Y341 HydrophobicContact CG-CE2 3.35Å; D339-Y341 WeakPolarHBondContact OD1-CA 3.5Å; D339-Y341 VanDerWaalsContact OD1-CB 3.29Å; D339-Y341 WeakPolarHBondContact OD1-CB 3.34Å; D339-Y341 PolarHBondContact OD1-N 3.44Å; Y341-H343 PolarHBondContact O-N 2.95Å; Y341-N411 WeakPolarHBondContact CE2-ND2 3.25Å; Y341-N411 PolarHBondContact OH-ND2 2.83Å; Y341-N411 VanDerWaalsContact OH-ND2 3.11Å
342	M	98.9	Very high	98.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	15.7	175.6	-66.3	-177.3	70.6	0	0	114.8	A168 P337 D339 Q340 R344 F345 I404 I477 L485	A168-M342 HydrophobicContact CB-CG 4.37Å; P337-M342 HydrophobicContact CB-CB 3.72Å; P337-M342 HydrophobicContact CB-CE 4.15Å; P337-M342 HydrophobicContact CB-SD 4.18Å; P337-M342 HydrophobicContact CG-CB 4.14Å; P337-M342 HydrophobicContact CG-CE 4.38Å; D339-M342 HydrophobicContact CB-CB 4.16Å; D339-M342 HydrophobicContact CB-CG 4.09Å; D339-M342 HydrophobicContact CB-SD 4.09Å; D339-M342 PolarHBondContact O-N 2.9Å; D339-M342 WeakPolarHBondContact OD1-CG 3.48Å; D339-M342 PolarHBondContact OD1-N 3.5Å; Q340-M342 VanDerWaalsContact C-N 3.25Å; Q340-M342 PolarHBondContact O-N 3.31Å; M342-R344 PolarHBondContact O-N 3.34Å; M342-F345 HydrophobicContact CB-CB 4.16Å; M342-F345 HydrophobicContact CE-CB 4.12Å; M342-F345 HydrophobicContact CE-CD1 3.97Å; M342-F345 HydrophobicContact CE-CD2 3.58Å; M342-F345 HydrophobicContact CE-CE1 4.26Å; M342-F345 HydrophobicContact CE-CE2 3.88Å; M342-F345 HydrophobicContact CE-CG 3.62Å; M342-F345 HydrophobicContact CE-CZ 4.2Å; M342-F345 WeakPolarHBondContact O-CB 2.82Å; M342-F345 PolarHBondContact O-N 2.95Å; M342-I404 HydrophobicContact CE-CG2 4.38Å; M342-I477 HydrophobicContact SD-CD1 3.75Å; M342-I477 HydrophobicContact SD-CG1 3.97Å; M342-L485 HydrophobicContact CE-CD2 3.71Å
343	H	98.9	Very high	98.8	Very high	48 Å²	48	22 Å²	22	22%	0.222	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15	-176.4	77.2	128.2	0	0	0	115.7	E167 Q340 Y341 P380	E167-H343 IonicContact OE2-NE2 3.27Å; E167-H343 PolarHBondContact OE2-NE2 3.32Å; Q340-H343 WeakPolarHBondContact O-CB 3.26Å; Q340-H343 PolarHBondContact O-N 3.12Å; Y341-H343 PolarHBondContact O-N 2.95Å; H343-P380 HydrophobicContact CB-CG 3.88Å
344	R	98.9	Very high	98.8	Very high	75 Å²	75	24.3 Å²	24.3	28%	0.283	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-0.1	174.3	-56.1	-50.8	-62.8	147	-3.1	113.9	Y163 M164 M342 A347 Y348	Y163-R344 HydrophobicContact CD1-CG 4.21Å; Y163-R344 HydrophobicContact CE1-CG 4.01Å; M164-R344 HydrophobicContact CB-CB 3.91Å; M164-R344 HydrophobicContact CG-CB 4.16Å; M342-R344 PolarHBondContact O-N 3.34Å; R344-A347 PolarHBondContact O-N 2.83Å; R344-Y348 PolarHBondContact O-N 3.12Å
345	F	98.9	Very high	98.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-45.4	-173.8	-169.3	-96	0	0	0	112.6	M164 I335 P337 M342 A347 Y348 F349 I404 L482 L485 I486 Y489	M164-F345 HydrophobicContact CG-CB 4.48Å; M164-F345 HydrophobicContact SD-CD2 3.97Å; I335-F345 HydrophobicContact CG2-CD1 3.75Å; I335-F345 HydrophobicContact CG2-CE1 4Å; P337-F345 HydrophobicContact CG-CB 4.14Å; P337-F345 HydrophobicContact CG-CD1 4.28Å; M342-F345 HydrophobicContact CB-CB 4.16Å; M342-F345 HydrophobicContact CE-CB 4.12Å; M342-F345 HydrophobicContact CE-CD1 3.97Å; M342-F345 HydrophobicContact CE-CD2 3.58Å; M342-F345 HydrophobicContact CE-CE1 4.26Å; M342-F345 HydrophobicContact CE-CE2 3.88Å; M342-F345 HydrophobicContact CE-CG 3.62Å; M342-F345 HydrophobicContact CE-CZ 4.2Å; M342-F345 WeakPolarHBondContact O-CB 2.82Å; M342-F345 PolarHBondContact O-N 2.95Å; F345-A347 PolarHBondContact O-N 3.48Å; F345-Y348 PolarHBondContact O-N 3.45Å; F345-F349 HydrophobicContact CD1-CD2 4.12Å; F345-F349 HydrophobicContact CD1-CE2 4.33Å; F345-F349 HydrophobicContact CD2-CE2 4.39Å; F345-F349 AromaticContact CE1-CD2 3.77Å; F345-F349 HydrophobicContact CE1-CD2 3.77Å; F345-F349 AromaticContact CE1-CE2 3.68Å; F345-F349 HydrophobicContact CE1-CE2 3.68Å; F345-F349 HydrophobicContact CE2-CD2 4.44Å; F345-F349 AromaticContact CE2-CE2 3.76Å; F345-F349 HydrophobicContact CE2-CE2 3.76Å; F345-F349 AromaticContact CZ-CD2 3.95Å; F345-F349 HydrophobicContact CZ-CD2 3.95Å; F345-F349 AromaticContact CZ-CE2 3.36Å; F345-F349 HydrophobicContact CZ-CE2 3.36Å; F345-F349 HydrophobicContact CZ-CZ 4.41Å; F345-F349 PolarHBondContact O-N 2.87Å; F345-I404 HydrophobicContact CD1-CD1 4.22Å; F345-I404 HydrophobicContact CE1-CD1 3.73Å; F345-I404 HydrophobicContact CZ-CD1 4.49Å; F345-L482 HydrophobicContact CD2-CD1 4.35Å; F345-L482 HydrophobicContact CE2-CD1 4.14Å; F345-L485 HydrophobicContact CE1-CD2 4.46Å; F345-L485 HydrophobicContact CE2-CD2 4.07Å; F345-L485 HydrophobicContact CE2-CG 4.31Å; F345-L485 HydrophobicContact CZ-CD2 3.76Å; F345-L485 HydrophobicContact CZ-CG 3.79Å; F345-I486 HydrophobicContact CE2-CG1 4.03Å; F345-Y489 HydrophobicContact CE1-CD2 4.12Å; F345-Y489 AromaticContact CE1-CE2 3.83Å; F345-Y489 HydrophobicContact CE1-CE2 3.83Å; F345-Y489 AromaticContact CZ-CD2 3.96Å; F345-Y489 HydrophobicContact CZ-CD2 3.96Å; F345-Y489 AromaticContact CZ-CE2 4Å; F345-Y489 HydrophobicContact CZ-CE2 4Å
346	A	98.8	Very high	98.8	Very high	5 Å²	5	26.9 Å²	26.9	4%	0.041	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-43.7	174.9	0	0	0	0	0	111.8	I335 Y348 F349 Q350	I335-A346 HydrophobicContact CB-CB 4.17Å; A346-Y348 VanDerWaalsContact C-N 3.33Å; A346-Y348 PolarHBondContact O-N 3.22Å; A346-F349 CarbonylContact O-C 3.57Å; A346-F349 PolarHBondContact O-N 3.49Å; A346-F349 VanDerWaalsContact O-N 3.14Å; A346-Q350 PolarHBondContact O-N 2.89Å
347	A	98.7	Very high	98.8	Very high	11 Å²	11	26.9 Å²	26.9	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-33.7	178.6	0	0	0	0	0	113	R344 F345 Q350	R344-A347 PolarHBondContact O-N 2.83Å; F345-A347 PolarHBondContact O-N 3.48Å; A347-Q350 WeakPolarHBondContact O-CB 3.47Å; A347-Q350 PolarHBondContact O-N 2.79Å
348	Y	98.9	Very high	98.8	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-45	171.1	171	-101.9	0	0	0	111.3	L160 M164 R270 L273 R344 F345 A346 Q350 Q351 G352 I486	L160-Y348 HydrophobicContact CB-CD2 4.2Å; M164-Y348 HydrophobicContact CE-CD1 3.54Å; M164-Y348 HydrophobicContact CE-CD2 4.03Å; M164-Y348 HydrophobicContact CE-CE1 3.96Å; M164-Y348 HydrophobicContact CE-CE2 4.43Å; M164-Y348 HydrophobicContact CE-CG 3.57Å; M164-Y348 HydrophobicContact CG-CG 4.48Å; R270-Y348 PolarHBondContact O-OH 3.09Å; R270-Y348 VanDerWaalsContact O-OH 3.07Å; L273-Y348 HydrophobicContact CD2-CE2 3.78Å; L273-Y348 WeakPolarHBondContact CD2-OH 3.15Å; R344-Y348 PolarHBondContact O-N 3.12Å; F345-Y348 PolarHBondContact O-N 3.45Å; A346-Y348 VanDerWaalsContact C-N 3.33Å; A346-Y348 PolarHBondContact O-N 3.22Å; Y348-Q350 VanDerWaalsContact C-N 3.33Å; Y348-Q350 PolarHBondContact O-N 3.01Å; Y348-Q351 PolarHBondContact O-N 3.39Å; Y348-G352 PolarHBondContact O-N 2.98Å; Y348-I486 HydrophobicContact CE1-CG2 3.79Å
349	F	98.9	Very high	98.8	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-77.2	-11.8	178.1	-78.2	-64.4	0	0	0	115.1	I335 F345 A346 Q351 G352 N353 I376 I486 Y489 I493	I335-F349 HydrophobicContact CD1-CB 3.81Å; I335-F349 HydrophobicContact CD1-CD2 4.35Å; I335-F349 HydrophobicContact CD1-CG 4.3Å; F345-F349 HydrophobicContact CD1-CD2 4.12Å; F345-F349 HydrophobicContact CD1-CE2 4.33Å; F345-F349 HydrophobicContact CD2-CE2 4.39Å; F345-F349 AromaticContact CE1-CD2 3.77Å; F345-F349 HydrophobicContact CE1-CD2 3.77Å; F345-F349 AromaticContact CE1-CE2 3.68Å; F345-F349 HydrophobicContact CE1-CE2 3.68Å; F345-F349 HydrophobicContact CE2-CD2 4.44Å; F345-F349 AromaticContact CE2-CE2 3.76Å; F345-F349 HydrophobicContact CE2-CE2 3.76Å; F345-F349 AromaticContact CZ-CD2 3.95Å; F345-F349 HydrophobicContact CZ-CD2 3.95Å; F345-F349 AromaticContact CZ-CE2 3.36Å; F345-F349 HydrophobicContact CZ-CE2 3.36Å; F345-F349 HydrophobicContact CZ-CZ 4.41Å; F345-F349 PolarHBondContact O-N 2.87Å; A346-F349 CarbonylContact O-C 3.57Å; A346-F349 PolarHBondContact O-N 3.49Å; A346-F349 VanDerWaalsContact O-N 3.14Å; F349-Q351 VanDerWaalsContact C-N 3.33Å; F349-G352 PolarHBondContact O-N 3.44Å; F349-N353 WeakPolarHBondContact O-CB 3.38Å; F349-N353 PolarHBondContact O-N 2.97Å; F349-I376 HydrophobicContact CB-CG2 4.3Å; F349-I486 HydrophobicContact CZ-CB 4.46Å; F349-I486 HydrophobicContact CZ-CG2 3.97Å; F349-Y489 HydrophobicContact CD2-CG 4.4Å; F349-Y489 HydrophobicContact CE1-CG 4.16Å; F349-Y489 AromaticContact CE2-CD2 3.98Å; F349-Y489 HydrophobicContact CE2-CD2 3.98Å; F349-Y489 HydrophobicContact CE2-CG 4.03Å; F349-Y489 HydrophobicContact CZ-CD2 4.14Å; F349-Y489 AromaticContact CZ-CG 3.91Å; F349-Y489 HydrophobicContact CZ-CG 3.91Å; F349-I493 HydrophobicContact CD1-CD1 3.86Å; F349-I493 HydrophobicContact CE1-CD1 4.08Å
350	Q	98.8	Very high	98.8	Very high	82 Å²	82	37.4 Å²	37.4	38%	0.383	18%	0.18	S	C	.	.	I	π-helix	trans	-57.7	-50.1	162.7	-73.1	177.6	-26.6	0	0	110.2	A346 A347 Y348 M354 I376	A346-Q350 PolarHBondContact O-N 2.89Å; A347-Q350 WeakPolarHBondContact O-CB 3.47Å; A347-Q350 PolarHBondContact O-N 2.79Å; Y348-Q350 VanDerWaalsContact C-N 3.33Å; Y348-Q350 PolarHBondContact O-N 3.01Å; Q350-M354 HydrophobicContact CB-SD 4.04Å; Q350-M354 HydrophobicContact CG-SD 4.12Å; Q350-M354 WeakPolarHBondContact O-CA 3.14Å; Q350-M354 WeakPolarHBondContact O-CB 3.15Å; Q350-M354 VanDerWaalsContact O-CG 3.29Å; Q350-M354 WeakPolarHBondContact O-CG 3.19Å; Q350-M354 PolarHBondContact O-N 3.1Å; Q350-I376 HydrophobicContact CG-CB 4.25Å; Q350-I376 HydrophobicContact CG-CG2 4.34Å; Q350-I376 VanDerWaalsContact CG-O 3.23Å; Q350-I376 WeakPolarHBondContact CG-O 3.28Å; Q350-I376 PolarHBondContact NE2-O 2.85Å
351	Q	98.7	Very high	98.8	Very high	23 Å²	23	35 Å²	35	11%	0.107	17%	0.172	C	C	.	.	I	π-helix	trans	-69.7	-49.3	173.5	-166.2	-169.9	16.3	0	0	111.2	G157 L160 R270 Y348 F349 N353 E355	G157-Q351 VanDerWaalsContact N-OE1 3.12Å; L160-Q351 HydrophobicContact CD1-CB 3.68Å; L160-Q351 HydrophobicContact CD1-CG 4.46Å; R270-Q351 HydrophobicContact CB-CG 3.87Å; R270-Q351 WeakPolarHBondContact CD-O 3.33Å; Y348-Q351 PolarHBondContact O-N 3.39Å; F349-Q351 VanDerWaalsContact C-N 3.33Å; Q351-N353 VanDerWaalsContact C-N 3.27Å; Q351-N353 PolarHBondContact O-N 3.27Å; Q351-E355 HydrophobicContact CG-CB 4.15Å; Q351-E355 PolarHBondContact NE2-OE2 2.73Å; Q351-E355 WeakPolarHBondContact O-CB 3.29Å; Q351-E355 PolarHBondContact O-N 2.98Å
352	G	98.5	Very high	98.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.163	C	C	.	.	I	π-helix	trans	-54.9	-40.3	-175.4	0	0	0	0	0	113.5	Y348 F349 S356	Y348-G352 PolarHBondContact O-N 2.98Å; F349-G352 PolarHBondContact O-N 3.44Å; G352-S356 VanDerWaalsContact O-CB 3.29Å; G352-S356 WeakPolarHBondContact O-CB 3.29Å; G352-S356 PolarHBondContact O-OG 3.13Å
353	N	98.9	Very high	98.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.164	C	C	.	.	I	π-helix	trans	-94.4	-55.7	-178.7	-162.8	-33.3	0	0	0	112.2	F349 Q351 E355 S356 N357 I376 I493	F349-N353 WeakPolarHBondContact O-CB 3.38Å; F349-N353 PolarHBondContact O-N 2.97Å; Q351-N353 VanDerWaalsContact C-N 3.27Å; Q351-N353 PolarHBondContact O-N 3.27Å; N353-E355 PolarHBondContact O-N 3.34Å; N353-S356 WeakPolarHBondContact O-CA 3.4Å; N353-S356 WeakPolarHBondContact O-CB 3.43Å; N353-S356 PolarHBondContact O-N 3.41Å; N353-S356 VanDerWaalsContact O-N 3.09Å; N353-N357 PolarHBondContact O-N 2.94Å; N353-I376 HydrophobicContact CB-CD1 4.4Å; N353-I376 HydrophobicContact CB-CG1 3.66Å; N353-I493 HydrophobicContact CB-CD1 3.86Å; N353-I493 HydrophobicContact CB-CG1 3.99Å
354	M	98.8	Very high	98.8	Very high	66 Å²	66	34.4 Å²	34.4	33%	0.325	18%	0.175	S	C	.	.	I	π-helix	trans	-71.2	-38.4	-168.5	-52.6	166.4	60.7	0	0	112.1	Q350 S356 G358 I375 I376	Q350-M354 HydrophobicContact CB-SD 4.04Å; Q350-M354 HydrophobicContact CG-SD 4.12Å; Q350-M354 WeakPolarHBondContact O-CA 3.14Å; Q350-M354 WeakPolarHBondContact O-CB 3.15Å; Q350-M354 VanDerWaalsContact O-CG 3.29Å; Q350-M354 WeakPolarHBondContact O-CG 3.19Å; Q350-M354 PolarHBondContact O-N 3.1Å; M354-S356 PolarHBondContact O-N 3.03Å; M354-G358 VanDerWaalsContact O-CA 3.25Å; M354-G358 WeakPolarHBondContact O-CA 3.44Å; M354-G358 PolarHBondContact O-N 2.82Å; M354-I375 HydrophobicContact CE-CB 4.42Å; M354-I375 HydrophobicContact CE-CG1 4.36Å; M354-I375 HydrophobicContact CE-CG2 4.11Å; M354-I376 HydrophobicContact CG-CB 4.35Å; M354-I376 HydrophobicContact CG-CG1 4.22Å; M354-I376 HydrophobicContact SD-CB 4.23Å; M354-I376 PolarHBondContact SD-N 3.12Å; M354-I376 VanDerWaalsContact SD-N 3.45Å
355	E	98.5	Very high	98.8	Very high	58 Å²	58	33.6 Å²	33.6	27%	0.271	19%	0.189	S	C	.	.	I	π-helix	trans	-69.9	-24.9	174.6	-165.5	-177.1	-108.5	0	0	111.5	R270 Q351 N353 K359 Q507	R270-E355 WeakPolarHBondContact CD-OE2 3.48Å; R270-E355 IonicContact CZ-OE2 3.88Å; R270-E355 IonicContact NE-OE2 2.79Å; R270-E355 IonicContact NH1-OE2 2.71Å; R270-E355 PolarHBondContact NH1-OE2 3.29Å; Q351-E355 HydrophobicContact CG-CB 4.15Å; Q351-E355 PolarHBondContact NE2-OE2 2.73Å; Q351-E355 WeakPolarHBondContact O-CB 3.29Å; Q351-E355 PolarHBondContact O-N 2.98Å; N353-E355 PolarHBondContact O-N 3.34Å; E355-K359 VanDerWaalsContact O-CE 3.29Å; E355-K359 WeakPolarHBondContact O-CE 3.29Å; E355-Q507 HydrophobicContact CG-CB 4Å
356	S	98.8	Very high	98.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-77.3	-57.3	176.5	-64.4	0	0	0	0	112.8	R270 Y271 G352 N353 M354 K359 T504	R270-S356 VanDerWaalsContact CD-OG 3.29Å; R270-S356 WeakPolarHBondContact CD-OG 3.44Å; R270-S356 PolarHBondContact NE-OG 3.39Å; Y271-S356 PolarHBondContact OH-OG 3.41Å; G352-S356 VanDerWaalsContact O-CB 3.29Å; G352-S356 WeakPolarHBondContact O-CB 3.29Å; G352-S356 PolarHBondContact O-OG 3.13Å; N353-S356 WeakPolarHBondContact O-CA 3.4Å; N353-S356 WeakPolarHBondContact O-CB 3.43Å; N353-S356 PolarHBondContact O-N 3.41Å; N353-S356 VanDerWaalsContact O-N 3.09Å; M354-S356 PolarHBondContact O-N 3.03Å; S356-K359 VanDerWaalsContact O-CE 3.26Å; S356-K359 WeakPolarHBondContact O-CE 3.1Å; S356-K359 WeakPolarHBondContact O-CG 3.25Å; S356-K359 PolarHBondContact O-NZ 2.84Å; S356-T504 WeakPolarHBondContact CA-O 3.28Å; S356-T504 VanDerWaalsContact CB-O 3.25Å; S356-T504 WeakPolarHBondContact CB-O 3.27Å; S356-T504 WeakPolarHBondContact O-CA 3.5Å; S356-T504 PolarHBondContact OG-O 3.16Å
357	N	98.9	Very high	98.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-107.5	-4.3	-166.9	-72	-11.8	0	0	0	113.9	N353 K359 T372 G373 I493 I502 T504	N353-N357 PolarHBondContact O-N 2.94Å; N357-K359 PolarHBondContact O-N 3.5Å; N357-T372 WeakPolarHBondContact O-CB 3.21Å; N357-T372 PolarHBondContact O-OG1 2.92Å; N357-G373 WeakPolarHBondContact O-CA 3.43Å; N357-G373 PolarHBondContact O-N 3.07Å; N357-I493 PolarHBondContact ND2-O 3.31Å; N357-I502 HydrophobicContact CB-CD1 3.87Å; N357-I502 WeakPolarHBondContact O-CD1 3.29Å; N357-T504 WeakPolarHBondContact OD1-CG2 3.44Å; N357-T504 PolarHBondContact OD1-OG1 2.89Å
358	G	98.8	Very high	98.8	Very high	50 Å²	50	43.5 Å²	43.5	52%	0.515	24%	0.244	S	C	.	.			trans	-71.2	65.2	170.8	0	0	0	0	0	112.1	M354	M354-G358 VanDerWaalsContact O-CA 3.25Å; M354-G358 WeakPolarHBondContact O-CA 3.44Å; M354-G358 PolarHBondContact O-N 2.82Å
359	K	98.8	Very high	98.8	Very high	32 Å²	32	49.5 Å²	49.5	14%	0.139	28%	0.277	C	S	.	.			trans	-126.5	152.8	-172.5	-53.4	-62.8	169.8	68.1	0	109.9	E355 S356 N357 T372 I502 F503 D506	E355-K359 VanDerWaalsContact O-CE 3.29Å; E355-K359 WeakPolarHBondContact O-CE 3.29Å; S356-K359 VanDerWaalsContact O-CE 3.26Å; S356-K359 WeakPolarHBondContact O-CE 3.1Å; S356-K359 WeakPolarHBondContact O-CG 3.25Å; S356-K359 PolarHBondContact O-NZ 2.84Å; N357-K359 PolarHBondContact O-N 3.5Å; K359-T372 WeakPolarHBondContact O-CB 3.47Å; K359-T372 WeakPolarHBondContact O-CG2 3.44Å; K359-T372 PolarHBondContact O-OG1 2.77Å; K359-I502 HydrophobicContact CB-CB 4.18Å; K359-I502 HydrophobicContact CB-CD1 4.16Å; K359-I502 HydrophobicContact CB-CG2 4.06Å; K359-I502 HydrophobicContact CG-CD1 4.28Å; K359-F503 PolarHBondContact NZ-O 3.15Å; K359-D506 PolarHBondContact NZ-O 3.44Å; K359-D506 IonicContact NZ-OD1 3.79Å; K359-D506 PolarHBondContact NZ-OD1 2.83Å
360	Y	98.8	Very high	98.8	Very high	159 Å²	159	50.7 Å²	50.7	62%	0.624	28%	0.281	S	S	*	.			trans	-127.3	0.3	-179.3	80.6	-80.4	0	0	0	113.7	V367 V368	Y360-V367 HydrophobicContact CD2-CG1 4.04Å; Y360-V367 HydrophobicContact CD2-CG2 4.1Å; Y360-V367 HydrophobicContact CE2-CG2 3.87Å; Y360-V367 WeakPolarHBondContact O-CA 3.33Å; Y360-V368 WeakPolarHBondContact O-CG2 3.2Å; Y360-V368 PolarHBondContact O-N 2.88Å
361	V	98.9	Very high	98.8	Very high	53 Å²	53	52.1 Å²	52.1	32%	0.321	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-116.4	128.6	177	-177.8	0	0	0	0	108.4	N366	V361-N366 CarbonylContact C-O 3.56Å; V361-N366 WeakPolarHBondContact CA-O 3.42Å
362	D	98.8	Very high	98.8	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.037	29%	0.288	C	S	.	.			trans	-75.6	171.3	179.3	86.9	-9.5	0	0	0	112.2	N364 G365 N366 V368 N501	D362-N364 PolarHBondContact O-N 3.05Å; D362-N364 VanDerWaalsContact OD1-CA 3.27Å; D362-N364 WeakPolarHBondContact OD1-CA 3.36Å; D362-N364 VanDerWaalsContact OD1-CB 3.28Å; D362-N364 WeakPolarHBondContact OD1-CB 3.44Å; D362-N364 PolarHBondContact OD1-N 3.24Å; D362-N364 PolarHBondContact OD2-ND2 3.27Å; D362-G365 PolarHBondContact O-N 2.83Å; D362-G365 PolarHBondContact OD1-N 2.85Å; D362-N366 PolarHBondContact N-O 2.53Å; D362-N366 PolarHBondContact OD1-N 3.35Å; D362-V368 HydrophobicContact CB-CG1 4Å; D362-N501 CarbonylContact C-O 3.55Å; D362-N501 WeakPolarHBondContact CA-O 3.1Å; D362-N501 HydrophobicContact CB-CB 4.34Å; D362-N501 VanDerWaalsContact CB-O 3.32Å; D362-N501 WeakPolarHBondContact CB-O 3.38Å; D362-N501 PolarHBondContact OD2-ND2 2.98Å; D362-N501 VanDerWaalsContact OD2-ND2 3.08Å
363	R	98.9	Very high	98.8	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.026	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.6	-179.8	-65.8	-169.4	-69.2	-87.2	1.9	114.2	M1 K2 N3 R90 G497 V498 N501 I502 F503	M1-R363 VanDerWaalsContact CE-CZ 3.48Å; K2-R363 PolarHBondContact O-NE 3.27Å; K2-R363 PolarHBondContact O-NH2 2.69Å; N3-R363 HydrophobicContact CB-CB 3.87Å; N3-R363 WeakPolarHBondContact OD1-CB 3.12Å; N3-R363 PolarHBondContact OD1-NE 3.46Å; R90-R363 PolarHBondContact NH1-O 3.14Å; R363-G497 PolarHBondContact NH1-O 3.12Å; R363-V498 PolarHBondContact NH1-O 2.92Å; R363-V498 PolarHBondContact NH2-O 3.19Å; R363-N501 WeakPolarHBondContact CG-O 3.43Å; R363-N501 PolarHBondContact N-O 3.07Å; R363-N501 PolarHBondContact NE-OD1 2.84Å; R363-N501 VanDerWaalsContact NH1-C 3.25Å; R363-N501 VanDerWaalsContact NH1-CA 3.25Å; R363-N501 PolarHBondContact NH2-OD1 3.48Å; R363-I502 WeakPolarHBondContact CG-O 3.45Å; R363-I502 VanDerWaalsContact NH1-N 3.13Å; R363-I502 PolarHBondContact NH1-O 3.49Å; R363-F503 HydrophobicContact CB-CE1 4.14Å; R363-F503 HydrophobicContact CB-CE2 4.05Å; R363-F503 HydrophobicContact CB-CZ 3.74Å; R363-F503 HydrophobicContact CG-CD1 3.84Å; R363-F503 HydrophobicContact CG-CD2 4.17Å; R363-F503 HydrophobicContact CG-CE1 3.62Å; R363-F503 HydrophobicContact CG-CE2 3.99Å; R363-F503 HydrophobicContact CG-CG 4.1Å; R363-F503 HydrophobicContact CG-CZ 3.69Å
364	N	98.7	Very high	98.8	Very high	84 Å²	84	52.7 Å²	52.7	45%	0.449	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.2	174.5	-56.2	-56.2	0	0	0	112.4	N3 D362 N366 N501	N3-N364 WeakPolarHBondContact CB-OD1 3.35Å; N3-N364 PolarHBondContact ND2-OD1 3.12Å; N3-N364 PolarHBondContact O-ND2 2.63Å; D362-N364 PolarHBondContact O-N 3.05Å; D362-N364 VanDerWaalsContact OD1-CA 3.27Å; D362-N364 WeakPolarHBondContact OD1-CA 3.36Å; D362-N364 VanDerWaalsContact OD1-CB 3.28Å; D362-N364 WeakPolarHBondContact OD1-CB 3.44Å; D362-N364 PolarHBondContact OD1-N 3.24Å; D362-N364 PolarHBondContact OD2-ND2 3.27Å; N364-N366 WeakPolarHBondContact CB-ND2 3.49Å; N364-N501 PolarHBondContact ND2-ND2 2.81Å
365	G	98.6	Very high	98.8	Very high	57 Å²	57	53.5 Å²	53.5	59%	0.588	30%	0.302	S	S	*	.	S	Bend	trans	88.4	13.5	-178.4	0	0	0	0	0	114.1	D362	D362-G365 PolarHBondContact O-N 2.83Å; D362-G365 PolarHBondContact OD1-N 2.85Å
366	N	98.8	Very high	98.8	Very high	97 Å²	97	50.8 Å²	50.8	52%	0.519	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-97.9	146.1	178.2	-55.3	-60.2	0	0	0	110.9	V361 D362 N364	V361-N366 CarbonylContact C-O 3.56Å; V361-N366 WeakPolarHBondContact CA-O 3.42Å; D362-N366 PolarHBondContact N-O 2.53Å; D362-N366 PolarHBondContact OD1-N 3.35Å; N364-N366 WeakPolarHBondContact CB-ND2 3.49Å
367	V	98.9	Very high	98.8	Very high	103 Å²	103	53.4 Å²	53.4	62%	0.624	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-66.3	133.3	169.8	174.3	0	0	0	0	109.3	Y360	Y360-V367 HydrophobicContact CD2-CG1 4.04Å; Y360-V367 HydrophobicContact CD2-CG2 4.1Å; Y360-V367 HydrophobicContact CE2-CG2 3.87Å; Y360-V367 WeakPolarHBondContact O-CA 3.33Å
368	V	98.7	Very high	98.8	Very high	24 Å²	24	54.1 Å²	54.1	15%	0.145	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-75.4	146.7	177.1	-56.6	0	0	0	0	111.3	Y360 D362 Y370 T372	Y360-V368 WeakPolarHBondContact O-CG2 3.2Å; Y360-V368 PolarHBondContact O-N 2.88Å; D362-V368 HydrophobicContact CB-CG1 4Å; V368-Y370 HydrophobicContact CB-CD1 4.18Å; V368-Y370 HydrophobicContact CB-CD2 4.27Å; V368-Y370 HydrophobicContact CB-CE1 3.89Å; V368-Y370 HydrophobicContact CB-CE2 3.97Å; V368-Y370 HydrophobicContact CB-CG 4.37Å; V368-Y370 HydrophobicContact CG1-CE1 4.04Å; V368-Y370 HydrophobicContact CG1-CE2 3.86Å; V368-Y370 WeakPolarHBondContact CG1-OH 3.34Å; V368-Y370 WeakPolarHBondContact CG2-O 3.26Å; V368-T372 HydrophobicContact CG2-CG2 4.06Å
369	D	98.6	Very high	98.8	Very high	131 Å²	131	56 Å²	56	70%	0.701	30%	0.302	S	S	*	.	S	Bend	trans	-110.1	19.3	173	62	-13.1	0	0	0	112.4
370	Y	98.8	Very high	98.8	Very high	26 Å²	26	54.6 Å²	54.6	10%	0.102	30%	0.296	C	S	.	.	S	Bend	trans	-134.6	166	179	51.8	-94.3	0	0	0	111.3	N5 P6 T7 V368 T372 L500	N5-Y370 WeakPolarHBondContact OD1-CE1 3.37Å; P6-Y370 HydrophobicContact CG-CE1 4.18Å; P6-Y370 HydrophobicContact CG-CE2 4.09Å; T7-Y370 HydrophobicContact CG2-CD1 3.45Å; T7-Y370 VanDerWaalsContact CG2-CD1 3.45Å; T7-Y370 HydrophobicContact CG2-CE1 4.18Å; T7-Y370 HydrophobicContact CG2-CG 3.96Å; V368-Y370 HydrophobicContact CB-CD1 4.18Å; V368-Y370 HydrophobicContact CB-CD2 4.27Å; V368-Y370 HydrophobicContact CB-CE1 3.89Å; V368-Y370 HydrophobicContact CB-CE2 3.97Å; V368-Y370 HydrophobicContact CB-CG 4.37Å; V368-Y370 HydrophobicContact CG1-CE1 4.04Å; V368-Y370 HydrophobicContact CG1-CE2 3.86Å; V368-Y370 WeakPolarHBondContact CG1-OH 3.34Å; V368-Y370 WeakPolarHBondContact CG2-O 3.26Å; Y370-T372 HydrophobicContact CE2-CG2 4.38Å; Y370-L500 HydrophobicContact CD2-CD2 4.33Å; Y370-L500 HydrophobicContact CE2-CB 4.37Å; Y370-L500 HydrophobicContact CE2-CD2 4.44Å; Y370-L500 WeakPolarHBondContact CE2-O 3.42Å; Y370-L500 PolarHBondContact OH-O 3.05Å
371	Q	98.9	Very high	98.7	Very high	112 Å²	112	47.3 Å²	47.3	52%	0.523	27%	0.269	S	S	.	.			trans	-73.3	145.9	178.2	-69.2	-62.4	-19.8	0	0	112.9	N326	N326-Q371 PolarHBondContact ND2-O 2.91Å
372	T	98.9	Very high	98.7	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.098	27%	0.265	C	S	.	.			trans	-113.7	-125.5	178.5	60.1	0	0	0	0	112.1	N325 N357 K359 V368 Y370 I502	N325-T372 PolarHBondContact ND2-O 2.95Å; N357-T372 WeakPolarHBondContact O-CB 3.21Å; N357-T372 PolarHBondContact O-OG1 2.92Å; K359-T372 WeakPolarHBondContact O-CB 3.47Å; K359-T372 WeakPolarHBondContact O-CG2 3.44Å; K359-T372 PolarHBondContact O-OG1 2.77Å; V368-T372 HydrophobicContact CG2-CG2 4.06Å; Y370-T372 HydrophobicContact CE2-CG2 4.38Å; T372-I502 HydrophobicContact CG2-CG2 4.1Å
373	G	98.6	Very high	98.7	Very high	19 Å²	19	50.3 Å²	50.3	20%	0.196	29%	0.285	C	S	.	.	S	Bend	trans	-68.6	136.5	-177.1	0	0	0	0	0	112.8	N357	N357-G373 WeakPolarHBondContact O-CA 3.43Å; N357-G373 PolarHBondContact O-N 3.07Å
374	P	98.9	Very high	98.7	Very high	6 Å²	6	50 Å²	50	4%	0.039	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-77.3	163.8	177.2	33.2	-35.7	0	0	0	111.9	E333 I376	E333-P374 HydrophobicContact CG-CB 4.17Å; E333-P374 HydrophobicContact CG-CG 3.96Å; P374-I376 HydrophobicContact CG-CD1 4.03Å; P374-I376 PolarHBondContact O-N 3Å
375	I	98.9	Very high	98.6	Very high	82 Å²	82	47.3 Å²	47.3	42%	0.421	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.9	167.5	-62	170.7	0	0	0	108.9	E331 T332 E333 M354	E331-I375 PolarHBondContact O-N 2.85Å; T332-I375 CarbonylContact C-O 3.59Å; T332-I375 WeakPolarHBondContact CA-O 3.5Å; T332-I375 WeakPolarHBondContact CB-O 3.48Å; T332-I375 HydrophobicContact CG2-CB 4.11Å; E333-I375 PolarHBondContact N-O 3.26Å; M354-I375 HydrophobicContact CE-CB 4.42Å; M354-I375 HydrophobicContact CE-CG1 4.36Å; M354-I375 HydrophobicContact CE-CG2 4.11Å
376	I	98.9	Very high	98.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.7	175.4	-57.1	-53.1	0	0	0	110.3	E333 I335 F349 Q350 N353 M354 P374	E333-I376 HydrophobicContact CB-CD1 3.77Å; E333-I376 HydrophobicContact CG-CD1 4.42Å; I335-I376 HydrophobicContact CD1-CG2 3.72Å; I335-I376 HydrophobicContact CG1-CG2 4.18Å; F349-I376 HydrophobicContact CB-CG2 4.3Å; Q350-I376 HydrophobicContact CG-CB 4.25Å; Q350-I376 HydrophobicContact CG-CG2 4.34Å; Q350-I376 VanDerWaalsContact CG-O 3.23Å; Q350-I376 WeakPolarHBondContact CG-O 3.28Å; Q350-I376 PolarHBondContact NE2-O 2.85Å; N353-I376 HydrophobicContact CB-CD1 4.4Å; N353-I376 HydrophobicContact CB-CG1 3.66Å; M354-I376 HydrophobicContact CG-CB 4.35Å; M354-I376 HydrophobicContact CG-CG1 4.22Å; M354-I376 HydrophobicContact SD-CB 4.23Å; M354-I376 PolarHBondContact SD-N 3.12Å; M354-I376 VanDerWaalsContact SD-N 3.45Å; P374-I376 HydrophobicContact CG-CD1 4.03Å; P374-I376 PolarHBondContact O-N 3Å
377	W	98.9	Very high	98.6	Very high	56 Å²	56	50.9 Å²	50.9	21%	0.212	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	173.3	175.2	64.7	-74.1	0	0	0	111.2	T332 E333 A334 I335 F388 I392 V399	T332-W377 PolarHBondContact OG1-NE1 3.2Å; T332-W377 VanDerWaalsContact OG1-NE1 3.12Å; E333-W377 PolarHBondContact O-N 3.4Å; A334-W377 CarbonylContact C-O 3.6Å; A334-W377 VanDerWaalsContact CA-O 3.26Å; A334-W377 WeakPolarHBondContact CA-O 3.42Å; A334-W377 HydrophobicContact CB-CD2 4.43Å; A334-W377 HydrophobicContact CB-CZ2 4.21Å; I335-W377 PolarHBondContact N-O 2.8Å; W377-F388 HydrophobicContact CE3-CE2 4.33Å; W377-F388 HydrophobicContact CE3-CZ 4.33Å; W377-F388 AromaticContact CH2-CD2 3.54Å; W377-F388 HydrophobicContact CH2-CD2 3.54Å; W377-F388 AromaticContact CH2-CE2 3.84Å; W377-F388 HydrophobicContact CH2-CE2 3.84Å; W377-F388 HydrophobicContact CH2-CG 4.09Å; W377-F388 HydrophobicContact CZ3-CB 4.35Å; W377-F388 AromaticContact CZ3-CD1 3.94Å; W377-F388 HydrophobicContact CZ3-CD1 3.94Å; W377-F388 AromaticContact CZ3-CD2 3.34Å; W377-F388 HydrophobicContact CZ3-CD2 3.34Å; W377-F388 AromaticContact CZ3-CE1 3.99Å; W377-F388 HydrophobicContact CZ3-CE1 3.99Å; W377-F388 AromaticContact CZ3-CE2 3.41Å; W377-F388 HydrophobicContact CZ3-CE2 3.41Å; W377-F388 VanDerWaalsContact CZ3-CE2 3.41Å; W377-F388 AromaticContact CZ3-CG 3.61Å; W377-F388 HydrophobicContact CZ3-CG 3.61Å; W377-F388 AromaticContact CZ3-CZ 3.75Å; W377-F388 HydrophobicContact CZ3-CZ 3.75Å; W377-I392 HydrophobicContact CH2-CD1 4.05Å; W377-I392 HydrophobicContact CH2-CG1 4.25Å; W377-V399 HydrophobicContact CZ2-CG1 3.79Å; W377-V399 HydrophobicContact CZ2-CG2 4.3Å
378	G	98.8	Very high	98.6	Very high	15 Å²	15	48 Å²	48	16%	0.155	26%	0.258	C	S	.	.			trans	147.3	164	174.3	0	0	0	0	0	113.3	I335	I335-G378 WeakPolarHBondContact O-CA 3.38Å
379	E	98.8	Very high	98.6	Very high	90 Å²	90	47.1 Å²	47.1	42%	0.421	25%	0.252	S	S	.	.			trans	-138.8	153.9	177.2	-77.4	-65.8	165.1	0	0	108.2	F388	E379-F388 HydrophobicContact CB-CE1 3.9Å; E379-F388 HydrophobicContact CB-CZ 4.13Å; E379-F388 HydrophobicContact CG-CE1 4.09Å
380	P	98.7	Very high	98.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.246	C	C	.	.			trans	-65	145.9	-177.2	28.3	-33.1	0	0	0	111.7	P337 D339 H343 N383 G384	P337-P380 CarbonylContact O-C 3.43Å; P337-P380 WeakPolarHBondContact O-CA 3.45Å; P337-P380 WeakPolarHBondContact O-CB 3.5Å; D339-P380 WeakPolarHBondContact O-CB 3.24Å; H343-P380 HydrophobicContact CB-CG 3.88Å; P380-N383 WeakPolarHBondContact O-CA 3.42Å; P380-N383 WeakPolarHBondContact O-CB 3.49Å; P380-N383 PolarHBondContact O-N 3.02Å; P380-G384 PolarHBondContact O-N 3.31Å
381	G	97.8	Very high	98.6	Very high	6 Å²	6	49.5 Å²	49.5	6%	0.062	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	141.7	168.9	0	0	0	0	0	110.7	P337	P337-G381 PolarHBondContact O-N 3.2Å
382	T	98.5	Very high	98.6	Very high	40 Å²	40	44.3 Å²	44.3	25%	0.245	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.8	8.5	2.4	55.8	0	0	0	0	113.5	Y338 Q385 H386 L420 N423	Y338-T382 HydrophobicContact CD1-CG2 4.5Å; Y338-T382 HydrophobicContact CE1-CG2 4.09Å; T382-Q385 VanDerWaalsContact O-CB 3.3Å; T382-Q385 WeakPolarHBondContact O-CB 3.34Å; T382-Q385 PolarHBondContact O-N 3.42Å; T382-H386 PolarHBondContact O-CD2 3.04Å; T382-H386 VanDerWaalsContact O-CD2 3.23Å; T382-H386 PolarHBondContact O-N 2.97Å; T382-L420 HydrophobicContact CG2-CD1 4.18Å; T382-N423 HydrophobicContact CG2-CB 3.86Å
383	N	98.6	Very high	98.6	Very high	83 Å²	83	44.4 Å²	44.4	44%	0.444	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-49.6	-176.1	-57.6	-4.8	0	0	0	111.1	Q340 P380 Q385 H386 A387	Q340-N383 PolarHBondContact OE1-ND2 2.68Å; P380-N383 WeakPolarHBondContact O-CA 3.42Å; P380-N383 WeakPolarHBondContact O-CB 3.49Å; P380-N383 PolarHBondContact O-N 3.02Å; N383-Q385 PolarHBondContact O-N 2.71Å; N383-H386 PolarHBondContact O-N 3.36Å; N383-H386 VanDerWaalsContact O-N 3.14Å; N383-A387 PolarHBondContact O-N 3.07Å
384	G	97.9	Very high	98.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.3	-33.6	175.9	0	0	0	0	0	113.3	P380 H386 A387 F388 Y389	P380-G384 PolarHBondContact O-N 3.31Å; G384-H386 VanDerWaalsContact C-N 3.26Å; G384-H386 PolarHBondContact O-N 2.88Å; G384-A387 PolarHBondContact O-N 3.48Å; G384-F388 PolarHBondContact O-N 2.71Å; G384-Y389 VanDerWaalsContact C-CD1 3.5Å; G384-Y389 VanDerWaalsContact C-CE1 3.49Å; G384-Y389 WeakPolarHBondContact O-CD1 3.42Å
385	Q	97.8	Very high	98.6	Very high	29 Å²	29	47.2 Å²	47.2	14%	0.136	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-59.3	-37.6	176.7	179.5	-178.5	-37.3	0	0	112.1	Y338 T382 N383 Y389 N423 Q427	Y338-Q385 PolarHBondContact OH-OE1 3.14Å; T382-Q385 VanDerWaalsContact O-CB 3.3Å; T382-Q385 WeakPolarHBondContact O-CB 3.34Å; T382-Q385 PolarHBondContact O-N 3.42Å; N383-Q385 PolarHBondContact O-N 2.71Å; Q385-Y389 HydrophobicContact CB-CD2 3.92Å; Q385-Y389 HydrophobicContact CB-CE1 4.5Å; Q385-Y389 HydrophobicContact CB-CE2 3.86Å; Q385-Y389 HydrophobicContact CB-CG 4.26Å; Q385-Y389 HydrophobicContact CG-CD2 3.93Å; Q385-Y389 HydrophobicContact CG-CE2 4.17Å; Q385-Y389 HydrophobicContact CG-CG 4.48Å; Q385-N423 PolarHBondContact NE2-OD1 3.08Å; Q385-N423 PolarHBondContact OE1-OD1 3.38Å; Q385-Q427 HydrophobicContact CG-CG 4.41Å; Q385-Q427 VanDerWaalsContact NE2-NE2 3.17Å
386	H	98	Very high	98.5	Very high	153 Å²	153	50 Å²	50	71%	0.708	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-93.5	10.3	178.5	-65.4	-73	0	0	0	113.8	T382 N383 G384	T382-H386 PolarHBondContact O-CD2 3.04Å; T382-H386 VanDerWaalsContact O-CD2 3.23Å; T382-H386 PolarHBondContact O-N 2.97Å; N383-H386 PolarHBondContact O-N 3.36Å; N383-H386 VanDerWaalsContact O-N 3.14Å; G384-H386 VanDerWaalsContact C-N 3.26Å; G384-H386 PolarHBondContact O-N 2.88Å
387	A	98.2	Very high	98.5	Very high	75 Å²	75	56.3 Å²	56.3	62%	0.62	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-60.3	179	0	0	0	0	0	112.4	N383 G384	N383-A387 PolarHBondContact O-N 3.07Å; G384-A387 PolarHBondContact O-N 3.48Å
388	F	98.7	Very high	98.5	Very high	43 Å²	43	55.7 Å²	55.7	19%	0.189	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-2.2	-166.5	52.3	-107.7	0	0	0	114.8	L336 W377 E379 G384 Q390 L391 I392	L336-F388 HydrophobicContact CD2-CE2 3.9Å; L336-F388 HydrophobicContact CD2-CZ 3.88Å; W377-F388 HydrophobicContact CE3-CE2 4.33Å; W377-F388 HydrophobicContact CE3-CZ 4.33Å; W377-F388 AromaticContact CH2-CD2 3.54Å; W377-F388 HydrophobicContact CH2-CD2 3.54Å; W377-F388 AromaticContact CH2-CE2 3.84Å; W377-F388 HydrophobicContact CH2-CE2 3.84Å; W377-F388 HydrophobicContact CH2-CG 4.09Å; W377-F388 HydrophobicContact CZ3-CB 4.35Å; W377-F388 AromaticContact CZ3-CD1 3.94Å; W377-F388 HydrophobicContact CZ3-CD1 3.94Å; W377-F388 AromaticContact CZ3-CD2 3.34Å; W377-F388 HydrophobicContact CZ3-CD2 3.34Å; W377-F388 AromaticContact CZ3-CE1 3.99Å; W377-F388 HydrophobicContact CZ3-CE1 3.99Å; W377-F388 AromaticContact CZ3-CE2 3.41Å; W377-F388 HydrophobicContact CZ3-CE2 3.41Å; W377-F388 VanDerWaalsContact CZ3-CE2 3.41Å; W377-F388 AromaticContact CZ3-CG 3.61Å; W377-F388 HydrophobicContact CZ3-CG 3.61Å; W377-F388 AromaticContact CZ3-CZ 3.75Å; W377-F388 HydrophobicContact CZ3-CZ 3.75Å; E379-F388 HydrophobicContact CB-CE1 3.9Å; E379-F388 HydrophobicContact CB-CZ 4.13Å; E379-F388 HydrophobicContact CG-CE1 4.09Å; G384-F388 PolarHBondContact O-N 2.71Å; F388-Q390 PolarHBondContact O-N 3.19Å; F388-Q390 VanDerWaalsContact O-N 3.15Å; F388-L391 PolarHBondContact O-N 3.29Å; F388-I392 HydrophobicContact CD2-CD1 3.76Å; F388-I392 HydrophobicContact CD2-CG1 4.35Å; F388-I392 HydrophobicContact CE2-CD1 3.91Å; F388-I392 PolarHBondContact O-N 2.76Å
389	Y	98.7	Very high	98.5	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-21.3	179.9	-81.4	35.8	0	0	0	112.7	L336 Y338 G384 Q385 L391 I392 H393 F403 Q427	L336-Y389 HydrophobicContact CD1-CE1 3.88Å; L336-Y389 WeakPolarHBondContact CD1-OH 3.16Å; L336-Y389 HydrophobicContact CD2-CE1 4.21Å; Y338-Y389 WeakPolarHBondContact OH-CE2 3.29Å; Y338-Y389 PolarHBondContact OH-OH 2.62Å; Y338-Y389 VanDerWaalsContact OH-OH 3.13Å; G384-Y389 VanDerWaalsContact C-CD1 3.5Å; G384-Y389 VanDerWaalsContact C-CE1 3.49Å; G384-Y389 WeakPolarHBondContact O-CD1 3.42Å; Q385-Y389 HydrophobicContact CB-CD2 3.92Å; Q385-Y389 HydrophobicContact CB-CE1 4.5Å; Q385-Y389 HydrophobicContact CB-CE2 3.86Å; Q385-Y389 HydrophobicContact CB-CG 4.26Å; Q385-Y389 HydrophobicContact CG-CD2 3.93Å; Q385-Y389 HydrophobicContact CG-CE2 4.17Å; Q385-Y389 HydrophobicContact CG-CG 4.48Å; Y389-L391 VanDerWaalsContact C-N 3.27Å; Y389-L391 PolarHBondContact O-N 3.34Å; Y389-I392 HydrophobicContact CD1-CD1 3.86Å; Y389-I392 HydrophobicContact CE1-CD1 4.24Å; Y389-I392 HydrophobicContact CG-CD1 4.43Å; Y389-I392 PolarHBondContact O-N 2.91Å; Y389-I392 VanDerWaalsContact O-N 3.14Å; Y389-H393 WeakPolarHBondContact O-CB 3.2Å; Y389-H393 PolarHBondContact O-CD2 2.9Å; Y389-H393 VanDerWaalsContact O-CD2 3.26Å; Y389-H393 PolarHBondContact O-N 2.9Å; Y389-F403 HydrophobicContact CE2-CE1 4.03Å; Y389-F403 AromaticContact CE2-CZ 3.81Å; Y389-F403 HydrophobicContact CE2-CZ 3.81Å; Y389-F403 AromaticContact CZ-CZ 3.99Å; Y389-Q427 HydrophobicContact CD2-CG 4.26Å; Y389-Q427 HydrophobicContact CE2-CB 4.2Å; Y389-Q427 HydrophobicContact CE2-CG 3.91Å
390	Q	98.7	Very high	98.6	Very high	123 Å²	123	51.4 Å²	51.4	58%	0.575	28%	0.276	S	S	*	.	H	α-helix	trans	-52.2	-46.4	168.7	176.7	59.9	50.8	0	0	111.8	F388 Q394	F388-Q390 PolarHBondContact O-N 3.19Å; F388-Q390 VanDerWaalsContact O-N 3.15Å; Q390-Q394 PolarHBondContact O-N 3.01Å
391	L	98.8	Very high	98.6	Very high	85 Å²	85	51.4 Å²	51.4	45%	0.445	28%	0.276	S	S	.	.	H	α-helix	trans	-70.5	-39.5	177.2	-176.9	148.9	0	0	0	111.1	F388 Y389 H393 G395	F388-L391 PolarHBondContact O-N 3.29Å; Y389-L391 VanDerWaalsContact C-N 3.27Å; Y389-L391 PolarHBondContact O-N 3.34Å; L391-H393 VanDerWaalsContact C-N 3.32Å; L391-H393 PolarHBondContact O-N 2.83Å; L391-G395 WeakPolarHBondContact O-CA 3.06Å; L391-G395 PolarHBondContact O-N 3.19Å
392	I	98.8	Very high	98.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-44.4	178	-56.8	-178.6	0	0	0	109.8	W377 F388 Y389 L431 R467	W377-I392 HydrophobicContact CH2-CD1 4.05Å; W377-I392 HydrophobicContact CH2-CG1 4.25Å; F388-I392 HydrophobicContact CD2-CD1 3.76Å; F388-I392 HydrophobicContact CD2-CG1 4.35Å; F388-I392 HydrophobicContact CE2-CD1 3.91Å; F388-I392 PolarHBondContact O-N 2.76Å; Y389-I392 HydrophobicContact CD1-CD1 3.86Å; Y389-I392 HydrophobicContact CE1-CD1 4.24Å; Y389-I392 HydrophobicContact CG-CD1 4.43Å; Y389-I392 PolarHBondContact O-N 2.91Å; Y389-I392 VanDerWaalsContact O-N 3.14Å; I392-L431 HydrophobicContact CG2-CD2 3.67Å; I392-R467 WeakPolarHBondContact O-CD 3.38Å; I392-R467 PolarHBondContact O-NE 2.91Å; I392-R467 PolarHBondContact O-NH1 2.79Å
393	H	98.8	Very high	98.6	Very high	18 Å²	18	49.6 Å²	49.6	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-77.7	-41	-177	-82.7	-71.6	0	0	0	115.3	Y389 L391 Q427 L431 F463 R467	Y389-H393 WeakPolarHBondContact O-CB 3.2Å; Y389-H393 PolarHBondContact O-CD2 2.9Å; Y389-H393 VanDerWaalsContact O-CD2 3.26Å; Y389-H393 PolarHBondContact O-N 2.9Å; L391-H393 VanDerWaalsContact C-N 3.32Å; L391-H393 PolarHBondContact O-N 2.83Å; H393-Q427 PolarHBondContact NE2-OE1 3.41Å; H393-L431 VanDerWaalsContact CE1-CD2 3.45Å; H393-L431 WeakPolarHBondContact CE1-CD2 3.44Å; H393-L431 VanDerWaalsContact CE1-CG 3.5Å; H393-L431 WeakPolarHBondContact CE1-CG 3.34Å; H393-L431 WeakPolarHBondContact ND1-CD2 3.29Å; H393-F463 HydrophobicContact CB-CD1 3.9Å; H393-F463 HydrophobicContact CB-CE1 3.8Å; H393-F463 AromaticContact ND1-CD1 3.99Å; H393-R467 VanDerWaalsContact C-NE 3.33Å; H393-R467 PolarHBondContact O-NE 3.03Å; H393-R467 PolarHBondContact O-NH2 3.38Å
394	Q	98.7	Very high	98.7	Very high	65 Å²	65	45.7 Å²	45.7	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-128.9	8.5	-169.6	-64.3	-174.4	-56.9	0	0	113.4	Q390 F460 V462 F463	Q390-Q394 PolarHBondContact O-N 3.01Å; Q394-F460 PolarHBondContact NE2-O 2.81Å; Q394-V462 PolarHBondContact NE2-O 3.5Å; Q394-F463 HydrophobicContact CG-CD1 4Å; Q394-F463 HydrophobicContact CG-CE1 3.91Å; Q394-F463 HydrophobicContact CG-CZ 4.39Å
395	G	98.6	Very high	98.7	Very high	20 Å²	20	45.7 Å²	45.7	21%	0.206	24%	0.243	C	C	.	.	S	Bend	trans	-81.5	174.8	172.5	0	0	0	0	0	113.1	L391 R467	L391-G395 WeakPolarHBondContact O-CA 3.06Å; L391-G395 PolarHBondContact O-N 3.19Å; G395-R467 PolarHBondContact O-NH1 3.14Å; G395-R467 PolarHBondContact O-NH2 2.59Å
396	T	98.7	Very high	98.8	Very high	140 Å²	140	44.4 Å²	44.4	86%	0.859	24%	0.237	S	C	*	.	S	Bend	trans	-95.6	9.1	-177.8	57.8	0	0	0	0	114
397	K	98.8	Very high	98.8	Very high	134 Å²	134	39.3 Å²	39.3	58%	0.583	22%	0.221	S	C	*	.	S	Bend	trans	-112.7	135.1	178.4	-70.5	163.3	176.5	61.9	0	108.7	R467	K397-R467 PolarHBondContact O-NH1 3.05Å
398	M	98.8	Very high	98.8	Very high	43 Å²	43	40 Å²	40	21%	0.212	21%	0.214	C	C	.	.			trans	-83.8	131.9	169.1	-175.5	167.4	62.4	0	0	109.4	Y324 F328 A330 P468	Y324-M398 HydrophobicContact CD1-CE 3.99Å; F328-M398 HydrophobicContact CB-CE 3.23Å; F328-M398 HydrophobicContact CD1-CE 3.42Å; F328-M398 VanDerWaalsContact CD1-CE 3.42Å; F328-M398 HydrophobicContact CD1-SD 4.28Å; F328-M398 HydrophobicContact CD2-CE 4.27Å; F328-M398 HydrophobicContact CE1-CE 4.33Å; F328-M398 HydrophobicContact CG-CE 3.39Å; A330-M398 HydrophobicContact CB-CE 4.14Å; M398-P468 HydrophobicContact CG-CG 4.36Å; M398-P468 HydrophobicContact SD-CG 4.07Å
399	V	98.9	Very high	98.8	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.042	22%	0.216	C	C	.	.			trans	-131.6	99.3	179.8	-177.8	0	0	0	0	107.8	A334 W377 C401	A334-V399 HydrophobicContact CB-CG1 3.74Å; W377-V399 HydrophobicContact CZ2-CG1 3.79Å; W377-V399 HydrophobicContact CZ2-CG2 4.3Å; V399-C401 PolarHBondContact O-N 2.96Å; V399-C401 PolarHBondContact O-SG 3.25Å
400	P	98.9	Very high	98.8	Very high	8 Å²	8	42 Å²	42	5%	0.052	23%	0.226	C	C	.	.			trans	-56.9	130.5	165.8	-22.8	33.9	0	0	0	110.3	Y324 A330 T332 E333 A334 P468	Y324-P400 HydrophobicContact CD1-CG 4.38Å; Y324-P400 HydrophobicContact CD2-CB 3.77Å; Y324-P400 HydrophobicContact CD2-CG 3.49Å; Y324-P400 VanDerWaalsContact CD2-CG 3.49Å; Y324-P400 HydrophobicContact CE2-CB 4.23Å; Y324-P400 HydrophobicContact CE2-CG 4.27Å; Y324-P400 HydrophobicContact CG-CB 4.35Å; Y324-P400 HydrophobicContact CG-CG 3.56Å; A330-P400 HydrophobicContact CB-CG 4.35Å; T332-P400 WeakPolarHBondContact O-CD 3.41Å; E333-P400 WeakPolarHBondContact CA-O 3.32Å; A334-P400 PolarHBondContact N-O 3.32Å; P400-P468 HydrophobicContact CB-CG 4.38Å; P400-P468 HydrophobicContact CG-CG 4.3Å
401	C	99	Very high	98.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.6	-176.5	-59	0	0	0	0	111.9	A334 L336 V399 F403 P468 T469 N470	A334-C401 HydrophobicContact CB-CB 4.44Å; A334-C401 CarbonylContact O-C 3.59Å; A334-C401 VanDerWaalsContact O-CA 3.31Å; A334-C401 WeakPolarHBondContact O-CA 3.37Å; L336-C401 HydrophobicContact CD1-CB 3.88Å; V399-C401 PolarHBondContact O-N 2.96Å; V399-C401 PolarHBondContact O-SG 3.25Å; C401-F403 HydrophobicContact CB-CD2 3.87Å; C401-F403 HydrophobicContact CB-CE2 3.58Å; C401-P468 PolarHBondContact N-O 2.98Å; C401-T469 HydrophobicContact CB-CG2 4.18Å; C401-T469 CarbonylContact O-C 3.48Å; C401-T469 VanDerWaalsContact O-CA 3.23Å; C401-T469 WeakPolarHBondContact O-CA 3.5Å; C401-N470 PolarHBondContact O-N 3.26Å
402	D	99	Very high	98.8	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	106.4	167.2	-72.6	-6.5	0	0	0	109.1	A334 L336 N470 Y489	A334-D402 PolarHBondContact O-N 3.21Å; L336-D402 PolarHBondContact N-O 2.95Å; D402-N470 WeakPolarHBondContact OD1-CB 3.41Å; D402-N470 PolarHBondContact OD1-ND2 3.41Å; D402-Y489 VanDerWaalsContact CB-OH 3.24Å; D402-Y489 WeakPolarHBondContact CB-OH 3.28Å; D402-Y489 VanDerWaalsContact OD2-CE1 3.26Å; D402-Y489 WeakPolarHBondContact OD2-CE1 3.16Å; D402-Y489 PolarHBondContact OD2-OH 3.22Å
403	F	98.9	Very high	98.8	Very high	1 Å²	1	47 Å²	47	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.4	172.2	-79.7	-112.5	0	0	0	108.7	L336 Y338 Y389 C401 F424 Q427 T428 L431 T469 N470 S471 I472	L336-F403 HydrophobicContact CD1-CD2 4.32Å; L336-F403 HydrophobicContact CD1-CE2 3.76Å; L336-F403 HydrophobicContact CD1-CZ 3.92Å; Y338-F403 AromaticContact CD2-CD1 3.99Å; Y338-F403 HydrophobicContact CD2-CD1 3.99Å; Y338-F403 HydrophobicContact CD2-CE1 4.5Å; Y338-F403 AromaticContact CE2-CD1 3.34Å; Y338-F403 HydrophobicContact CE2-CD1 3.34Å; Y338-F403 AromaticContact CE2-CE1 3.45Å; Y338-F403 HydrophobicContact CE2-CE1 3.45Å; Y338-F403 VanDerWaalsContact CE2-CE1 3.45Å; Y338-F403 HydrophobicContact CE2-CG 4.47Å; Y338-F403 AromaticContact CZ-CD1 4Å; Y338-F403 AromaticContact CZ-CE1 3.77Å; Y338-F403 WeakPolarHBondContact OH-CE1 3.21Å; Y389-F403 HydrophobicContact CE2-CE1 4.03Å; Y389-F403 AromaticContact CE2-CZ 3.81Å; Y389-F403 HydrophobicContact CE2-CZ 3.81Å; Y389-F403 AromaticContact CZ-CZ 3.99Å; C401-F403 HydrophobicContact CB-CD2 3.87Å; C401-F403 HydrophobicContact CB-CE2 3.58Å; F403-F424 HydrophobicContact CB-CD2 4Å; F403-F424 HydrophobicContact CB-CE2 3.62Å; F403-F424 HydrophobicContact CB-CZ 4.5Å; F403-F424 HydrophobicContact CD1-CD2 4.24Å; F403-Q427 HydrophobicContact CE1-CB 3.56Å; F403-Q427 HydrophobicContact CE1-CG 4.45Å; F403-Q427 HydrophobicContact CZ-CB 3.9Å; F403-T428 HydrophobicContact CB-CG2 3.93Å; F403-T428 HydrophobicContact CD1-CG2 3.75Å; F403-T428 HydrophobicContact CD2-CG2 3.57Å; F403-T428 HydrophobicContact CE1-CG2 4.11Å; F403-T428 HydrophobicContact CE2-CG2 3.95Å; F403-T428 HydrophobicContact CG-CG2 3.47Å; F403-T428 VanDerWaalsContact CG-CG2 3.47Å; F403-T428 HydrophobicContact CZ-CG2 4.22Å; F403-L431 HydrophobicContact CE2-CD1 3.82Å; F403-L431 HydrophobicContact CZ-CD1 3.89Å; F403-T469 HydrophobicContact CD2-CG2 4.14Å; F403-T469 HydrophobicContact CE2-CG2 3.92Å; F403-N470 PolarHBondContact N-O 3.37Å; F403-S471 CarbonylContact O-C 3.56Å; F403-S471 WeakPolarHBondContact O-CA 3.39Å; F403-I472 PolarHBondContact O-N 2.64Å
404	I	99	Very high	98.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.4	-177.6	-47.3	176.3	0	0	0	109.1	I335 L336 P337 Y338 M342 F345 I472 L474 L485 Y489	I335-I404 HydrophobicContact CG2-CD1 3.96Å; L336-I404 PolarHBondContact O-N 2.91Å; P337-I404 CarbonylContact C-O 3.56Å; P337-I404 WeakPolarHBondContact CA-O 3.48Å; P337-I404 HydrophobicContact CB-CB 4.49Å; Y338-I404 PolarHBondContact N-O 3.22Å; M342-I404 HydrophobicContact CE-CG2 4.38Å; F345-I404 HydrophobicContact CD1-CD1 4.22Å; F345-I404 HydrophobicContact CE1-CD1 3.73Å; F345-I404 HydrophobicContact CZ-CD1 4.49Å; I404-I472 CarbonylContact C-O 3.34Å; I404-I472 WeakPolarHBondContact CA-O 3.36Å; I404-I472 HydrophobicContact CG1-CB 4.26Å; I404-I472 HydrophobicContact CG1-CD1 4.37Å; I404-I472 HydrophobicContact CG2-CB 4.27Å; I404-I472 HydrophobicContact CG2-CG2 4.39Å; I404-L474 HydrophobicContact CG2-CD1 3.58Å; I404-L485 HydrophobicContact CD1-CD2 4.35Å; I404-L485 HydrophobicContact CG2-CD2 3.93Å; I404-Y489 HydrophobicContact CD1-CE2 4.16Å
405	A	98.9	Very high	98.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.3	176.5	0	0	0	0	0	112.3	L421 F424 I472 L473 L474	A405-L421 HydrophobicContact CB-CD2 3.81Å; A405-F424 HydrophobicContact CB-CD1 4.16Å; A405-F424 HydrophobicContact CB-CD2 3.52Å; A405-F424 HydrophobicContact CB-CE1 4.24Å; A405-F424 HydrophobicContact CB-CE2 3.58Å; A405-F424 HydrophobicContact CB-CG 3.81Å; A405-F424 HydrophobicContact CB-CZ 3.97Å; A405-I472 PolarHBondContact N-O 2.99Å; A405-L473 HydrophobicContact CB-CD1 4.43Å; A405-L473 WeakPolarHBondContact O-CA 3.19Å; A405-L474 PolarHBondContact O-N 3.44Å
406	P	98.9	Very high	98.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	140.4	165.2	34.4	-33.1	0	0	0	111.9	I408 H417 L474 I477	P406-I408 VanDerWaalsContact C-N 3.32Å; P406-I408 WeakPolarHBondContact CB-O 3.18Å; P406-H417 PolarHBondContact O-CE1 3.18Å; P406-H417 PolarHBondContact O-NE2 3.16Å; P406-L474 CarbonylContact C-O 3.54Å; P406-L474 WeakPolarHBondContact CA-O 3.33Å; P406-I477 HydrophobicContact CB-CD1 4.25Å; P406-I477 HydrophobicContact CB-CG1 3.96Å; P406-I477 HydrophobicContact CG-CG1 4Å
407	A	98.9	Very high	98.8	Very high	46 Å²	46	50.5 Å²	50.5	38%	0.38	28%	0.278	S	S	.	.	S	Bend	trans	-69.6	-30.3	174.2	0	0	0	0	0	112.3	H417 L473 L474 R475	A407-H417 PolarHBondContact O-CD2 3.39Å; A407-H417 PolarHBondContact O-NE2 2.94Å; A407-L473 HydrophobicContact CB-CD1 4.37Å; A407-L474 PolarHBondContact N-O 3.24Å; A407-R475 CarbonylContact C-O 3.53Å; A407-R475 PolarHBondContact N-O 3.24Å
408	I	98.9	Very high	98.8	Very high	91 Å²	91	51.2 Å²	51.2	47%	0.467	28%	0.283	S	S	.	.	S	Bend	trans	-112.7	137.3	179.2	-60.2	169.8	0	0	0	109.3	P406 R475 E476	P406-I408 VanDerWaalsContact C-N 3.32Å; P406-I408 WeakPolarHBondContact CB-O 3.18Å; I408-R475 WeakPolarHBondContact CB-O 3.24Å; I408-R475 PolarHBondContact N-O 2.73Å; I408-E476 HydrophobicContact CB-CB 4.18Å; I408-E476 HydrophobicContact CB-CG 4.33Å; I408-E476 HydrophobicContact CG2-CG 4.41Å
409	T	98.9	Very high	98.8	Very high	39 Å²	39	54.4 Å²	54.4	24%	0.239	30%	0.296	C	S	.	.			trans	-102.4	144.6	175.3	-177.4	0	0	0	0	111.7	N411 P412 H417	T409-N411 PolarHBondContact O-N 2.79Å; T409-N411 PolarHBondContact OG1-N 2.92Å; T409-P412 HydrophobicContact CG2-CB 4.27Å; T409-H417 HydrophobicContact CG2-CB 3.78Å
410	H	98.8	Very high	98.8	Very high	50 Å²	50	55.9 Å²	55.9	23%	0.231	30%	0.303	C	S	.	.	S	Bend	trans	-70.5	-15.2	167.9	-70.6	-72.5	0	0	0	113.6	P171 Y172 E476 I477	P171-H410 HydrophobicContact CB-CB 3.8Å; P171-H410 HydrophobicContact CG-CB 3.54Å; P171-H410 VanDerWaalsContact CG-CG 3.44Å; Y172-H410 AromaticContact CE2-CE1 3.54Å; Y172-H410 AromaticContact CE2-NE2 3.77Å; Y172-H410 AromaticContact CZ-CE1 3.71Å; Y172-H410 PolarHBondContact OH-CE1 3.37Å; H410-E476 IonicContact CE1-OE1 2.96Å; H410-E476 PolarHBondContact CE1-OE1 3.28Å; H410-E476 VanDerWaalsContact CE1-OE1 3.25Å; H410-E476 IonicContact ND1-OE1 3.36Å; H410-E476 IonicContact NE2-OE1 3.86Å; H410-I477 PolarHBondContact NE2-O 3.1Å
411	N	98.8	Very high	98.8	Very high	94 Å²	94	56.6 Å²	56.6	50%	0.503	31%	0.307	S	S	.	.	S	Bend	trans	-127.5	71.9	-176.7	-65.1	-79.4	0	0	0	111.2	Y341 T409 L413	Y341-N411 WeakPolarHBondContact CE2-ND2 3.25Å; Y341-N411 PolarHBondContact OH-ND2 2.83Å; Y341-N411 VanDerWaalsContact OH-ND2 3.11Å; T409-N411 PolarHBondContact O-N 2.79Å; T409-N411 PolarHBondContact OG1-N 2.92Å; N411-L413 PolarHBondContact O-N 2.78Å; N411-L413 VanDerWaalsContact O-N 3.13Å
412	P	98.5	Very high	98.8	Very high	110 Å²	110	59.7 Å²	59.7	71%	0.714	33%	0.328	S	S	*	.			trans	-68	112.2	-179.5	27.9	-34.2	0	0	0	110.8	T409	T409-P412 HydrophobicContact CG2-CB 4.27Å
413	L	98.6	Very high	98.8	Very high	112 Å²	112	61.6 Å²	61.6	59%	0.586	34%	0.338	S	S	*	.			trans	-134.8	107.4	179.2	-165.3	71.2	0	0	0	111	N411 D415 H416	N411-L413 PolarHBondContact O-N 2.78Å; N411-L413 VanDerWaalsContact O-N 3.13Å; L413-D415 PolarHBondContact O-N 2.78Å; L413-H416 VanDerWaalsContact O-CB 3.3Å; L413-H416 WeakPolarHBondContact O-CB 3.41Å; L413-H416 PolarHBondContact O-CD2 2.79Å; L413-H416 VanDerWaalsContact O-CD2 3.23Å; L413-H416 PolarHBondContact O-N 2.95Å
414	S	98.3	Very high	98.8	Very high	109 Å²	109	61.6 Å²	61.6	76%	0.762	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	-120.2	-177.9	61.9	0	0	0	0	112.2	H416	S414-H416 PolarHBondContact OG-CD2 2.72Å
415	D	98.5	Very high	98.8	Very high	61 Å²	61	66.4 Å²	66.4	33%	0.326	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	14.7	179.4	64.1	0.3	0	0	0	113.1	L413 H417 Q418 K419	L413-D415 PolarHBondContact O-N 2.78Å; D415-H417 VanDerWaalsContact C-N 3.34Å; D415-H417 PolarHBondContact O-N 2.88Å; D415-Q418 PolarHBondContact O-N 3.43Å; D415-K419 VanDerWaalsContact CG-CE 3.42Å; D415-K419 PolarHBondContact O-N 3.37Å; D415-K419 WeakPolarHBondContact OD1-CE 3.44Å; D415-K419 IonicContact OD1-NZ 3.79Å; D415-K419 PolarHBondContact OD1-NZ 2.77Å; D415-K419 WeakPolarHBondContact OD2-CE 3.5Å; D415-K419 IonicContact OD2-NZ 3.05Å; D415-K419 PolarHBondContact OD2-NZ 3.36Å
416	H	98.8	Very high	98.8	Very high	114 Å²	114	68.5 Å²	68.5	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-55.3	-47.2	-176.8	-84.3	-122.5	0	0	0	112.1	L413 S414 Q418 K419 L420	L413-H416 VanDerWaalsContact O-CB 3.3Å; L413-H416 WeakPolarHBondContact O-CB 3.41Å; L413-H416 PolarHBondContact O-CD2 2.79Å; L413-H416 VanDerWaalsContact O-CD2 3.23Å; L413-H416 PolarHBondContact O-N 2.95Å; S414-H416 PolarHBondContact OG-CD2 2.72Å; H416-Q418 PolarHBondContact O-N 3.32Å; H416-K419 PolarHBondContact O-N 3.06Å; H416-L420 WeakPolarHBondContact O-CB 3.27Å; H416-L420 PolarHBondContact O-N 3.12Å
417	H	98.8	Very high	98.8	Very high	31 Å²	31	69.7 Å²	69.7	14%	0.144	38%	0.382	C	S	.	.	H	α-helix	trans	-69.4	-34.7	-177.4	-156.8	55.6	0	0	0	112.5	P406 A407 T409 D415 L420 L421	P406-H417 PolarHBondContact O-CE1 3.18Å; P406-H417 PolarHBondContact O-NE2 3.16Å; A407-H417 PolarHBondContact O-CD2 3.39Å; A407-H417 PolarHBondContact O-NE2 2.94Å; T409-H417 HydrophobicContact CG2-CB 3.78Å; D415-H417 VanDerWaalsContact C-N 3.34Å; D415-H417 PolarHBondContact O-N 2.88Å; H417-L420 PolarHBondContact O-N 3.39Å; H417-L421 WeakPolarHBondContact O-CB 3.46Å; H417-L421 WeakPolarHBondContact O-CG 3.4Å; H417-L421 PolarHBondContact O-N 2.69Å
418	Q	98.8	Very high	98.8	Very high	150 Å²	150	67.7 Å²	67.7	70%	0.701	37%	0.365	S	S	*	.	H	α-helix	trans	-65.8	-41.4	174.2	-69.8	176.4	-16.2	0	0	111.3	D415 H416 L421 S422	D415-Q418 PolarHBondContact O-N 3.43Å; H416-Q418 PolarHBondContact O-N 3.32Å; Q418-L421 PolarHBondContact O-N 3.43Å; Q418-S422 WeakPolarHBondContact O-CB 3.41Å; Q418-S422 PolarHBondContact O-N 3.22Å
419	K	98.9	Very high	98.8	Very high	110 Å²	110	68.8 Å²	68.8	48%	0.478	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-38.5	173.4	-73.7	169.6	174.6	155.6	0	112.4	D415 H416 S422 N423	D415-K419 VanDerWaalsContact CG-CE 3.42Å; D415-K419 PolarHBondContact O-N 3.37Å; D415-K419 WeakPolarHBondContact OD1-CE 3.44Å; D415-K419 IonicContact OD1-NZ 3.79Å; D415-K419 PolarHBondContact OD1-NZ 2.77Å; D415-K419 WeakPolarHBondContact OD2-CE 3.5Å; D415-K419 IonicContact OD2-NZ 3.05Å; D415-K419 PolarHBondContact OD2-NZ 3.36Å; H416-K419 PolarHBondContact O-N 3.06Å; K419-S422 WeakPolarHBondContact CA-OG 3.35Å; K419-S422 PolarHBondContact O-OG 3.34Å; K419-N423 PolarHBondContact O-N 2.73Å; K419-N423 PolarHBondContact O-ND2 3.44Å
420	L	98.9	Very high	98.8	Very high	38 Å²	38	68.8 Å²	68.8	20%	0.199	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-50.8	174.8	-180	64.6	0	0	0	110.5	Y338 T382 H416 H417 S422 N423 F424	Y338-L420 HydrophobicContact CD1-CD1 3.82Å; Y338-L420 HydrophobicContact CD1-CG 4.44Å; Y338-L420 HydrophobicContact CG-CD1 4.45Å; Y338-L420 WeakPolarHBondContact O-CD2 3.25Å; T382-L420 HydrophobicContact CG2-CD1 4.18Å; H416-L420 WeakPolarHBondContact O-CB 3.27Å; H416-L420 PolarHBondContact O-N 3.12Å; H417-L420 PolarHBondContact O-N 3.39Å; L420-S422 PolarHBondContact O-N 3.44Å; L420-N423 WeakPolarHBondContact O-CB 3.49Å; L420-N423 PolarHBondContact O-N 3.44Å; L420-N423 VanDerWaalsContact O-N 3.16Å; L420-F424 PolarHBondContact O-N 3.42Å
421	L	98.9	Very high	98.8	Very high	23 Å²	23	66.5 Å²	66.5	12%	0.12	36%	0.362	C	S	.	.	H	α-helix	trans	-66.8	-34.8	-179.9	-68.8	-177.3	0	0	0	112.6	A405 H417 Q418 N423 F424 F425	A405-L421 HydrophobicContact CB-CD2 3.81Å; H417-L421 WeakPolarHBondContact O-CB 3.46Å; H417-L421 WeakPolarHBondContact O-CG 3.4Å; H417-L421 PolarHBondContact O-N 2.69Å; Q418-L421 PolarHBondContact O-N 3.43Å; L421-N423 PolarHBondContact O-N 2.95Å; L421-F424 WeakPolarHBondContact O-CB 3.45Å; L421-F424 PolarHBondContact O-N 2.95Å; L421-F425 HydrophobicContact CB-CD2 4.38Å; L421-F425 HydrophobicContact CB-CE2 3.86Å; L421-F425 WeakPolarHBondContact O-CD2 3.35Å; L421-F425 WeakPolarHBondContact O-CG 3.49Å; L421-F425 PolarHBondContact O-N 2.94Å
422	S	98.9	Very high	98.8	Very high	65 Å²	65	62.1 Å²	62.1	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-36.3	174	70	0	0	0	0	111.7	Q418 K419 L420 A426	Q418-S422 WeakPolarHBondContact O-CB 3.41Å; Q418-S422 PolarHBondContact O-N 3.22Å; K419-S422 WeakPolarHBondContact CA-OG 3.35Å; K419-S422 PolarHBondContact O-OG 3.34Å; L420-S422 PolarHBondContact O-N 3.44Å; S422-A426 WeakPolarHBondContact O-CB 3.15Å; S422-A426 PolarHBondContact O-N 3.37Å
423	N	98.9	Very high	98.8	Very high	47 Å²	47	60.7 Å²	60.7	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-70	-44.3	173.5	-76.7	-86.2	0	0	0	111.7	Y338 T382 Q385 K419 L420 L421 F425 A426 Q427	Y338-N423 HydrophobicContact CE1-CB 3.89Å; T382-N423 HydrophobicContact CG2-CB 3.86Å; Q385-N423 PolarHBondContact NE2-OD1 3.08Å; Q385-N423 PolarHBondContact OE1-OD1 3.38Å; K419-N423 PolarHBondContact O-N 2.73Å; K419-N423 PolarHBondContact O-ND2 3.44Å; L420-N423 WeakPolarHBondContact O-CB 3.49Å; L420-N423 PolarHBondContact O-N 3.44Å; L420-N423 VanDerWaalsContact O-N 3.16Å; L421-N423 PolarHBondContact O-N 2.95Å; N423-F425 VanDerWaalsContact C-N 3.31Å; N423-F425 PolarHBondContact O-N 3.31Å; N423-A426 PolarHBondContact O-N 3.39Å; N423-Q427 WeakPolarHBondContact O-CB 3.38Å; N423-Q427 VanDerWaalsContact O-CG 3.26Å; N423-Q427 WeakPolarHBondContact O-CG 3.26Å; N423-Q427 PolarHBondContact O-N 3.13Å
424	F	98.9	Very high	98.8	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-52.9	-48.3	175.2	167.4	-96.1	0	0	0	111.8	Y338 F403 A405 L420 L421 L473	Y338-F424 HydrophobicContact CD1-CB 3.63Å; Y338-F424 HydrophobicContact CD2-CB 4.42Å; Y338-F424 AromaticContact CD2-CD2 3.99Å; Y338-F424 HydrophobicContact CD2-CD2 3.99Å; Y338-F424 HydrophobicContact CE1-CB 4.07Å; Y338-F424 HydrophobicContact CG-CB 3.85Å; Y338-F424 HydrophobicContact CG-CD2 4.03Å; Y338-F424 HydrophobicContact CG-CG 4.44Å; F403-F424 HydrophobicContact CB-CD2 4Å; F403-F424 HydrophobicContact CB-CE2 3.62Å; F403-F424 HydrophobicContact CB-CZ 4.5Å; F403-F424 HydrophobicContact CD1-CD2 4.24Å; A405-F424 HydrophobicContact CB-CD1 4.16Å; A405-F424 HydrophobicContact CB-CD2 3.52Å; A405-F424 HydrophobicContact CB-CE1 4.24Å; A405-F424 HydrophobicContact CB-CE2 3.58Å; A405-F424 HydrophobicContact CB-CG 3.81Å; A405-F424 HydrophobicContact CB-CZ 3.97Å; L420-F424 PolarHBondContact O-N 3.42Å; L421-F424 WeakPolarHBondContact O-CB 3.45Å; L421-F424 PolarHBondContact O-N 2.95Å; F424-L473 HydrophobicContact CE1-CD1 4.44Å
425	F	98.9	Very high	98.8	Very high	101 Å²	101	53.9 Å²	53.9	44%	0.443	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-50.1	177.7	-60.6	-51.9	0	0	0	111.9	L421 N423 Q427 T428 E429	L421-F425 HydrophobicContact CB-CD2 4.38Å; L421-F425 HydrophobicContact CB-CE2 3.86Å; L421-F425 WeakPolarHBondContact O-CD2 3.35Å; L421-F425 WeakPolarHBondContact O-CG 3.49Å; L421-F425 PolarHBondContact O-N 2.94Å; N423-F425 VanDerWaalsContact C-N 3.31Å; N423-F425 PolarHBondContact O-N 3.31Å; F425-Q427 VanDerWaalsContact C-N 3.32Å; F425-Q427 PolarHBondContact O-N 3.15Å; F425-T428 PolarHBondContact O-N 3.03Å; F425-T428 PolarHBondContact O-OG1 3.01Å; F425-E429 PolarHBondContact O-N 2.87Å
426	A	98.8	Very high	98.8	Very high	44 Å²	44	53.3 Å²	53.3	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-34.5	-174.7	0	0	0	0	0	113.3	S422 N423 E429 A430	S422-A426 WeakPolarHBondContact O-CB 3.15Å; S422-A426 PolarHBondContact O-N 3.37Å; N423-A426 PolarHBondContact O-N 3.39Å; A426-E429 PolarHBondContact O-N 2.97Å; A426-A430 VanDerWaalsContact O-CB 3.28Å; A426-A430 WeakPolarHBondContact O-CB 3.38Å; A426-A430 PolarHBondContact O-N 3.29Å
427	Q	98.9	Very high	98.8	Very high	27 Å²	27	52.2 Å²	52.2	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-68.3	-42.5	-177.4	-73.1	-62.9	-24.5	0	0	112.4	Y338 Q385 Y389 H393 F403 N423 F425 E429 A430 L431	Y338-Q427 WeakPolarHBondContact OH-CG 3.44Å; Q385-Q427 HydrophobicContact CG-CG 4.41Å; Q385-Q427 VanDerWaalsContact NE2-NE2 3.17Å; Y389-Q427 HydrophobicContact CD2-CG 4.26Å; Y389-Q427 HydrophobicContact CE2-CB 4.2Å; Y389-Q427 HydrophobicContact CE2-CG 3.91Å; H393-Q427 PolarHBondContact NE2-OE1 3.41Å; F403-Q427 HydrophobicContact CE1-CB 3.56Å; F403-Q427 HydrophobicContact CE1-CG 4.45Å; F403-Q427 HydrophobicContact CZ-CB 3.9Å; N423-Q427 WeakPolarHBondContact O-CB 3.38Å; N423-Q427 VanDerWaalsContact O-CG 3.26Å; N423-Q427 WeakPolarHBondContact O-CG 3.26Å; N423-Q427 PolarHBondContact O-N 3.13Å; F425-Q427 VanDerWaalsContact C-N 3.32Å; F425-Q427 PolarHBondContact O-N 3.15Å; Q427-E429 VanDerWaalsContact C-N 3.34Å; Q427-A430 PolarHBondContact O-N 2.86Å; Q427-L431 WeakPolarHBondContact O-CB 3.29Å; Q427-L431 WeakPolarHBondContact O-CG 3.32Å; Q427-L431 PolarHBondContact O-N 3.08Å
428	T	98.9	Very high	98.8	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-70.6	-32.3	177.5	64.7	0	0	0	0	112.2	F403 F425 A432 T469	F403-T428 HydrophobicContact CB-CG2 3.93Å; F403-T428 HydrophobicContact CD1-CG2 3.75Å; F403-T428 HydrophobicContact CD2-CG2 3.57Å; F403-T428 HydrophobicContact CE1-CG2 4.11Å; F403-T428 HydrophobicContact CE2-CG2 3.95Å; F403-T428 HydrophobicContact CG-CG2 3.47Å; F403-T428 VanDerWaalsContact CG-CG2 3.47Å; F403-T428 HydrophobicContact CZ-CG2 4.22Å; F425-T428 PolarHBondContact O-N 3.03Å; F425-T428 PolarHBondContact O-OG1 3.01Å; T428-A432 WeakPolarHBondContact O-CB 3.35Å; T428-A432 PolarHBondContact O-N 3Å; T428-A432 VanDerWaalsContact O-N 3.11Å; T428-T469 WeakPolarHBondContact CB-OG1 3.12Å; T428-T469 HydrophobicContact CG2-CG2 4.13Å
429	E	98.9	Very high	98.7	Very high	115 Å²	115	52.8 Å²	52.8	54%	0.537	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-50	170.8	-174.5	177.6	-155.5	0	0	111.6	F425 A426 Q427 L431 A432 F433	F425-E429 PolarHBondContact O-N 2.87Å; A426-E429 PolarHBondContact O-N 2.97Å; Q427-E429 VanDerWaalsContact C-N 3.34Å; E429-L431 VanDerWaalsContact C-N 3.33Å; E429-L431 PolarHBondContact O-N 3.44Å; E429-A432 PolarHBondContact O-N 3.3Å; E429-F433 HydrophobicContact CG-CD2 3.69Å; E429-F433 HydrophobicContact CG-CE2 3.99Å; E429-F433 WeakPolarHBondContact O-CD2 3.42Å; E429-F433 PolarHBondContact O-N 3.06Å
430	A	98.8	Very high	98.7	Very high	39 Å²	39	47.6 Å²	47.6	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-41	178.4	0	0	0	0	0	112.3	A426 Q427 G434	A426-A430 VanDerWaalsContact O-CB 3.28Å; A426-A430 WeakPolarHBondContact O-CB 3.38Å; A426-A430 PolarHBondContact O-N 3.29Å; Q427-A430 PolarHBondContact O-N 2.86Å; A430-G434 WeakPolarHBondContact O-CA 3.42Å; A430-G434 PolarHBondContact O-N 3.4Å
431	L	98.9	Very high	98.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-41.5	176.7	-76.4	169.3	0	0	0	112.1	I392 H393 F403 Q427 E429 G465 N466 R467 T469	I392-L431 HydrophobicContact CG2-CD2 3.67Å; H393-L431 VanDerWaalsContact CE1-CD2 3.45Å; H393-L431 WeakPolarHBondContact CE1-CD2 3.44Å; H393-L431 VanDerWaalsContact CE1-CG 3.5Å; H393-L431 WeakPolarHBondContact CE1-CG 3.34Å; H393-L431 WeakPolarHBondContact ND1-CD2 3.29Å; F403-L431 HydrophobicContact CE2-CD1 3.82Å; F403-L431 HydrophobicContact CZ-CD1 3.89Å; Q427-L431 WeakPolarHBondContact O-CB 3.29Å; Q427-L431 WeakPolarHBondContact O-CG 3.32Å; Q427-L431 PolarHBondContact O-N 3.08Å; E429-L431 VanDerWaalsContact C-N 3.33Å; E429-L431 PolarHBondContact O-N 3.44Å; L431-G465 CarbonylContact O-C 3.48Å; L431-G465 VanDerWaalsContact O-C 3.24Å; L431-G465 WeakPolarHBondContact O-CA 3.44Å; L431-N466 PolarHBondContact O-N 2.94Å; L431-R467 CarbonylContact C-O 3.27Å; L431-R467 HydrophobicContact CB-CB 4.06Å; L431-R467 HydrophobicContact CD2-CB 3.83Å; L431-R467 HydrophobicContact CD2-CG 4.35Å; L431-R467 WeakPolarHBondContact O-CB 3.46Å; L431-R467 PolarHBondContact O-N 3.46Å; L431-T469 HydrophobicContact CB-CG2 4.15Å; L431-T469 HydrophobicContact CD1-CG2 3.52Å; L431-T469 HydrophobicContact CG-CG2 4.47Å
432	A	98.9	Very high	98.7	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-71.1	-47.9	-178.8	0	0	0	0	0	112.7	I27 K55 T428 E429 N466	I27-A432 HydrophobicContact CB-CB 4.47Å; I27-A432 HydrophobicContact CD1-CB 4.45Å; I27-A432 HydrophobicContact CG2-CB 3.83Å; K55-A432 HydrophobicContact CB-CB 4.45Å; K55-A432 HydrophobicContact CD-CB 4.15Å; K55-A432 HydrophobicContact CG-CB 4.41Å; T428-A432 WeakPolarHBondContact O-CB 3.35Å; T428-A432 PolarHBondContact O-N 3Å; T428-A432 VanDerWaalsContact O-N 3.11Å; E429-A432 PolarHBondContact O-N 3.3Å; A432-N466 PolarHBondContact O-N 3Å
433	F	98.8	Very high	98.6	Very high	81 Å²	81	50.3 Å²	50.3	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-105.2	-19.6	-165.7	-54.8	-61.5	0	0	0	114.5	I27 A28 F31 E429	I27-F433 HydrophobicContact CG2-CE1 4.46Å; A28-F433 HydrophobicContact CB-CD1 4Å; F31-F433 HydrophobicContact CB-CE1 4.26Å; F31-F433 HydrophobicContact CD2-CE1 4.02Å; F31-F433 HydrophobicContact CD2-CZ 4.05Å; F31-F433 HydrophobicContact CE2-CZ 4.37Å; F31-F433 HydrophobicContact CG-CE1 4.21Å; F31-F433 HydrophobicContact CG-CZ 4.15Å; E429-F433 HydrophobicContact CG-CD2 3.69Å; E429-F433 HydrophobicContact CG-CE2 3.99Å; E429-F433 WeakPolarHBondContact O-CD2 3.42Å; E429-F433 PolarHBondContact O-N 3.06Å
434	G	98.6	Very high	98.6	Very high	23 Å²	23	49 Å²	49	24%	0.237	25%	0.252	C	S	.	.			trans	60.4	-152.6	-179.8	0	0	0	0	0	113.2	A430 F463	A430-G434 WeakPolarHBondContact O-CA 3.42Å; A430-G434 PolarHBondContact O-N 3.4Å; G434-F463 CarbonylContact C-O 3.24Å; G434-F463 VanDerWaalsContact CA-O 3.29Å; G434-F463 WeakPolarHBondContact CA-O 3.46Å
435	K	98.7	Very high	98.6	Very high	54 Å²	54	54.1 Å²	54.1	24%	0.235	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-158.6	114.5	-177.7	-175.6	-178.5	-176.2	170.4	0	109.6	V439 V440 E443 F463	K435-V439 HydrophobicContact CD-CG1 4.4Å; K435-V439 HydrophobicContact CG-CB 4.02Å; K435-V439 HydrophobicContact CG-CG1 3.89Å; K435-V440 HydrophobicContact CD-CG2 4.03Å; K435-V440 HydrophobicContact CG-CG2 4.15Å; K435-E443 WeakPolarHBondContact CE-OE1 3.5Å; K435-E443 WeakPolarHBondContact CE-OE2 3.36Å; K435-E443 IonicContact NZ-OE1 2.79Å; K435-E443 PolarHBondContact NZ-OE1 3.4Å; K435-E443 IonicContact NZ-OE2 3.69Å; K435-E443 PolarHBondContact NZ-OE2 3.26Å; K435-F463 HydrophobicContact CB-CB 4.12Å; K435-F463 HydrophobicContact CB-CD2 4.28Å; K435-F463 PolarHBondContact N-O 2.73Å; K435-F463 PolarHBondContact O-N 3.15Å
436	S	98.4	Very high	98.5	Very high	50 Å²	50	55 Å²	55	35%	0.35	28%	0.281	S	S	.	.			trans	-72.7	164.7	-174.8	87.2	0	0	0	0	113	E438 V439 V440	S436-E438 VanDerWaalsContact C-N 3.27Å; S436-E438 WeakPolarHBondContact CB-OE2 3.49Å; S436-E438 PolarHBondContact O-N 3.36Å; S436-E438 PolarHBondContact OG-N 3Å; S436-E438 PolarHBondContact OG-OE2 3.01Å; S436-V439 PolarHBondContact O-N 2.89Å; S436-V439 PolarHBondContact OG-N 2.65Å; S436-V440 WeakPolarHBondContact O-CG2 3.37Å; S436-V440 PolarHBondContact O-N 2.97Å; S436-V440 VanDerWaalsContact O-N 3.16Å
437	R	98.4	Very high	98.5	Very high	90 Å²	90	58.1 Å²	58.1	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-58.2	-41.4	174.2	-177.7	172.9	177.6	132	5.5	111.3	V439 V440 E441 D455 V458 V462	R437-V439 VanDerWaalsContact C-N 3.31Å; R437-V439 PolarHBondContact O-N 2.98Å; R437-V440 WeakPolarHBondContact O-CB 3.44Å; R437-V440 PolarHBondContact O-N 3.39Å; R437-V440 VanDerWaalsContact O-N 3.16Å; R437-E441 HydrophobicContact CG-CG 4.18Å; R437-E441 IonicContact CZ-OE1 3.74Å; R437-E441 IonicContact NE-OE1 3.66Å; R437-E441 PolarHBondContact NE-OE1 3.25Å; R437-E441 IonicContact NH2-OE1 2.77Å; R437-E441 PolarHBondContact NH2-OE1 2.95Å; R437-E441 WeakPolarHBondContact O-CG 3.3Å; R437-E441 PolarHBondContact O-N 3.46Å; R437-D455 IonicContact CZ-OD1 3.31Å; R437-D455 IonicContact NH2-OD1 2.68Å; R437-D455 PolarHBondContact NH2-OD1 2.92Å; R437-V458 HydrophobicContact CG-CG1 3.75Å; R437-V462 HydrophobicContact CB-CG2 3.96Å
438	E	98.4	Very high	98.4	Very high	126 Å²	126	60.4 Å²	60.4	59%	0.589	32%	0.318	S	S	*	.	H	α-helix	trans	-59	-43	179.3	-62.5	71.1	-155.7	0	0	111.4	S436 E441 Q442	S436-E438 VanDerWaalsContact C-N 3.27Å; S436-E438 WeakPolarHBondContact CB-OE2 3.49Å; S436-E438 PolarHBondContact O-N 3.36Å; S436-E438 PolarHBondContact OG-N 3Å; S436-E438 PolarHBondContact OG-OE2 3.01Å; E438-E441 PolarHBondContact O-N 2.97Å; E438-Q442 WeakPolarHBondContact O-CB 3.38Å; E438-Q442 PolarHBondContact O-N 3.5Å
439	V	98.1	Very high	98.4	Very high	68 Å²	68	65 Å²	65	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-45	176.5	179.9	0	0	0	0	110.7	K435 S436 R437 E441 Q442 E443	K435-V439 HydrophobicContact CD-CG1 4.4Å; K435-V439 HydrophobicContact CG-CB 4.02Å; K435-V439 HydrophobicContact CG-CG1 3.89Å; S436-V439 PolarHBondContact O-N 2.89Å; S436-V439 PolarHBondContact OG-N 2.65Å; R437-V439 VanDerWaalsContact C-N 3.31Å; R437-V439 PolarHBondContact O-N 2.98Å; V439-E441 PolarHBondContact O-N 3.2Å; V439-Q442 PolarHBondContact O-N 3Å; V439-E443 WeakPolarHBondContact O-CG 3.44Å; V439-E443 PolarHBondContact O-N 3.21Å
440	V	98.3	Very high	98.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-45	178	173.4	0	0	0	0	111.5	K435 S436 R437 Q442 E443 Y444 V458 K461	K435-V440 HydrophobicContact CD-CG2 4.03Å; K435-V440 HydrophobicContact CG-CG2 4.15Å; S436-V440 WeakPolarHBondContact O-CG2 3.37Å; S436-V440 PolarHBondContact O-N 2.97Å; S436-V440 VanDerWaalsContact O-N 3.16Å; R437-V440 WeakPolarHBondContact O-CB 3.44Å; R437-V440 PolarHBondContact O-N 3.39Å; R437-V440 VanDerWaalsContact O-N 3.16Å; V440-Q442 VanDerWaalsContact C-N 3.34Å; V440-E443 PolarHBondContact O-N 3.1Å; V440-Y444 HydrophobicContact CG1-CD2 4.23Å; V440-Y444 HydrophobicContact CG1-CE2 3.88Å; V440-Y444 VanDerWaalsContact O-CD2 3.28Å; V440-Y444 WeakPolarHBondContact O-CD2 3.29Å; V440-Y444 PolarHBondContact O-N 3.31Å; V440-V458 HydrophobicContact CG1-CB 4.46Å; V440-V458 HydrophobicContact CG1-CG1 4.18Å; V440-V458 HydrophobicContact CG1-CG2 4.33Å; V440-K461 HydrophobicContact CG1-CB 3.82Å; V440-K461 HydrophobicContact CG2-CB 4.11Å; V440-K461 VanDerWaalsContact CG2-O 3.32Å; V440-K461 WeakPolarHBondContact CG2-O 3.25Å
441	E	98.5	Very high	98.2	Very high	35 Å²	35	62.3 Å²	62.3	16%	0.164	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-39.7	177.3	-69.3	-177.4	178.9	0	0	111.5	R437 E438 V439 E443 Y444 R445 P451 V458	R437-E441 HydrophobicContact CG-CG 4.18Å; R437-E441 IonicContact CZ-OE1 3.74Å; R437-E441 IonicContact NE-OE1 3.66Å; R437-E441 PolarHBondContact NE-OE1 3.25Å; R437-E441 IonicContact NH2-OE1 2.77Å; R437-E441 PolarHBondContact NH2-OE1 2.95Å; R437-E441 WeakPolarHBondContact O-CG 3.3Å; R437-E441 PolarHBondContact O-N 3.46Å; E438-E441 PolarHBondContact O-N 2.97Å; V439-E441 PolarHBondContact O-N 3.2Å; E441-E443 PolarHBondContact O-N 2.84Å; E441-Y444 WeakPolarHBondContact O-CB 3.25Å; E441-Y444 PolarHBondContact O-N 3.39Å; E441-Y444 VanDerWaalsContact O-N 3.15Å; E441-R445 WeakPolarHBondContact O-CG 3.47Å; E441-R445 PolarHBondContact O-N 3.26Å; E441-R445 IonicContact OE2-NH2 3.58Å; E441-R445 PolarHBondContact OE2-NH2 3.36Å; E441-P451 HydrophobicContact CB-CB 3.77Å; E441-P451 HydrophobicContact CB-CG 3.93Å; E441-P451 HydrophobicContact CG-CB 3.76Å; E441-P451 HydrophobicContact CG-CG 4.47Å; E441-P451 WeakPolarHBondContact O-CG 3.45Å; E441-V458 HydrophobicContact CG-CG1 3.92Å; E441-V458 HydrophobicContact CG-CG2 4.39Å
442	Q	98.4	Very high	98	Very high	85 Å²	85	65.8 Å²	65.8	40%	0.397	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-42.8	177.5	-171.3	56.4	42.3	0	0	111.8	E438 V439 V440 Y444 R445 D446	E438-Q442 WeakPolarHBondContact O-CB 3.38Å; E438-Q442 PolarHBondContact O-N 3.5Å; V439-Q442 PolarHBondContact O-N 3Å; V440-Q442 VanDerWaalsContact C-N 3.34Å; Q442-Y444 PolarHBondContact O-N 3.17Å; Q442-R445 WeakPolarHBondContact O-CA 3.22Å; Q442-R445 WeakPolarHBondContact O-CB 3.49Å; Q442-R445 PolarHBondContact O-N 3.27Å; Q442-D446 PolarHBondContact NE2-OD1 3.43Å; Q442-D446 VanDerWaalsContact O-CG 3.22Å; Q442-D446 PolarHBondContact O-N 3.28Å
443	E	98.1	Very high	97.9	Very high	63 Å²	63	70 Å²	70	29%	0.294	38%	0.377	S	S	.	.	H	α-helix	trans	-59.5	-32.2	174.8	-73.1	177.8	170.4	0	0	113.2	K435 V439 V440 E441 Q447	K435-E443 WeakPolarHBondContact CE-OE1 3.5Å; K435-E443 WeakPolarHBondContact CE-OE2 3.36Å; K435-E443 IonicContact NZ-OE1 2.79Å; K435-E443 PolarHBondContact NZ-OE1 3.4Å; K435-E443 IonicContact NZ-OE2 3.69Å; K435-E443 PolarHBondContact NZ-OE2 3.26Å; V439-E443 WeakPolarHBondContact O-CG 3.44Å; V439-E443 PolarHBondContact O-N 3.21Å; V440-E443 PolarHBondContact O-N 3.1Å; E441-E443 PolarHBondContact O-N 2.84Å; E443-Q447 WeakPolarHBondContact O-CG 3.24Å; E443-Q447 PolarHBondContact O-N 2.87Å; E443-Q447 PolarHBondContact O-NE2 3.29Å
444	Y	98.2	Very high	97.8	Very high	19 Å²	19	66.7 Å²	66.7	8%	0.075	36%	0.363	C	S	.	.	H	α-helix	trans	-73.4	-38.4	173.8	-74.6	-52.9	0	0	0	112.2	V440 E441 Q442 D446 Q447 G448 K449 L454 V457 V458 K461	V440-Y444 HydrophobicContact CG1-CD2 4.23Å; V440-Y444 HydrophobicContact CG1-CE2 3.88Å; V440-Y444 VanDerWaalsContact O-CD2 3.28Å; V440-Y444 WeakPolarHBondContact O-CD2 3.29Å; V440-Y444 PolarHBondContact O-N 3.31Å; E441-Y444 WeakPolarHBondContact O-CB 3.25Å; E441-Y444 PolarHBondContact O-N 3.39Å; E441-Y444 VanDerWaalsContact O-N 3.15Å; Q442-Y444 PolarHBondContact O-N 3.17Å; Y444-D446 VanDerWaalsContact C-N 3.3Å; Y444-D446 PolarHBondContact O-N 2.92Å; Y444-Q447 CarbonylContact O-C 3.54Å; Y444-Q447 PolarHBondContact O-N 3.5Å; Y444-Q447 VanDerWaalsContact O-N 3.14Å; Y444-G448 PolarHBondContact O-N 3.49Å; Y444-K449 HydrophobicContact CD1-CD 3.96Å; Y444-K449 WeakPolarHBondContact O-CB 3.13Å; Y444-K449 PolarHBondContact O-N 3.18Å; Y444-L454 HydrophobicContact CD1-CD1 3.56Å; Y444-L454 HydrophobicContact CD2-CD1 3.54Å; Y444-L454 HydrophobicContact CE1-CD1 4.01Å; Y444-L454 HydrophobicContact CE2-CD1 3.98Å; Y444-L454 HydrophobicContact CG-CD1 3.3Å; Y444-V457 HydrophobicContact CE2-CG1 4.19Å; Y444-V457 WeakPolarHBondContact OH-CG1 3.26Å; Y444-V458 HydrophobicContact CD2-CG2 3.84Å; Y444-V458 HydrophobicContact CE2-CG2 3.67Å; Y444-K461 HydrophobicContact CE2-CD 4.49Å; Y444-K461 WeakPolarHBondContact OH-CD 3.48Å
445	R	98.3	Very high	97.7	Very high	110 Å²	110	70 Å²	70	42%	0.415	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-42.5	172.6	-65.6	-177.2	-167.7	95.6	10.7	111.2	E441 Q442 Q447 G448 P451	E441-R445 WeakPolarHBondContact O-CG 3.47Å; E441-R445 PolarHBondContact O-N 3.26Å; E441-R445 IonicContact OE2-NH2 3.58Å; E441-R445 PolarHBondContact OE2-NH2 3.36Å; Q442-R445 WeakPolarHBondContact O-CA 3.22Å; Q442-R445 WeakPolarHBondContact O-CB 3.49Å; Q442-R445 PolarHBondContact O-N 3.27Å; R445-Q447 PolarHBondContact O-N 3.25Å; R445-G448 WeakPolarHBondContact O-CA 3.5Å; R445-G448 PolarHBondContact O-N 3.05Å; R445-P451 HydrophobicContact CG-CG 3.57Å
446	D	98.1	Very high	97.7	Very high	121 Å²	121	75.8 Å²	75.8	65%	0.647	40%	0.397	S	S	*	.	H	α-helix	trans	-64.6	-22.5	178.9	-60.7	-18.6	0	0	0	112.5	Q442 Y444 G448	Q442-D446 PolarHBondContact NE2-OD1 3.43Å; Q442-D446 VanDerWaalsContact O-CG 3.22Å; Q442-D446 PolarHBondContact O-N 3.28Å; Y444-D446 VanDerWaalsContact C-N 3.3Å; Y444-D446 PolarHBondContact O-N 2.92Å; D446-G448 VanDerWaalsContact C-N 3.34Å
447	Q	97.3	Very high	97.7	Very high	109 Å²	109	75 Å²	75	51%	0.509	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	7.8	172.6	-65.6	168.1	32.8	0	0	113.5	E443 Y444 R445 K449	E443-Q447 WeakPolarHBondContact O-CG 3.24Å; E443-Q447 PolarHBondContact O-N 2.87Å; E443-Q447 PolarHBondContact O-NE2 3.29Å; Y444-Q447 CarbonylContact O-C 3.54Å; Y444-Q447 PolarHBondContact O-N 3.5Å; Y444-Q447 VanDerWaalsContact O-N 3.14Å; R445-Q447 PolarHBondContact O-N 3.25Å; Q447-K449 VanDerWaalsContact C-N 3.33Å; Q447-K449 PolarHBondContact O-N 3.42Å
448	G	98	Very high	97.7	Very high	74 Å²	74	70.7 Å²	70.7	76%	0.763	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	20.3	-178.5	0	0	0	0	0	114.7	Y444 R445 D446	Y444-G448 PolarHBondContact O-N 3.49Å; R445-G448 WeakPolarHBondContact O-CA 3.5Å; R445-G448 PolarHBondContact O-N 3.05Å; D446-G448 VanDerWaalsContact C-N 3.34Å
449	K	97.6	Very high	97.7	Very high	99 Å²	99	67.6 Å²	67.6	43%	0.43	36%	0.364	S	S	.	.			trans	-100.9	148.1	177.1	-62.2	169.6	-177	153.3	0	110.6	Y444 Q447 P451 L454	Y444-K449 HydrophobicContact CD1-CD 3.96Å; Y444-K449 WeakPolarHBondContact O-CB 3.13Å; Y444-K449 PolarHBondContact O-N 3.18Å; Q447-K449 VanDerWaalsContact C-N 3.33Å; Q447-K449 PolarHBondContact O-N 3.42Å; K449-P451 WeakPolarHBondContact O-CD 3.49Å; K449-L454 HydrophobicContact CB-CD1 4Å; K449-L454 HydrophobicContact CD-CD1 4.26Å
450	D	97.6	Very high	97.7	Very high	92 Å²	92	71.4 Å²	71.4	49%	0.492	38%	0.375	S	S	.	.			trans	-85.6	112.4	171.5	179.4	6.9	0	0	0	110.5	A452 T453	D450-A452 PolarHBondContact O-N 3.39Å; D450-A452 VanDerWaalsContact O-N 3.14Å; D450-A452 WeakPolarHBondContact OD1-CB 3.36Å; D450-A452 PolarHBondContact OD1-N 3.16Å; D450-T453 HydrophobicContact CB-CG2 4.27Å; D450-T453 PolarHBondContact O-N 2.93Å; D450-T453 PolarHBondContact O-OG1 2.95Å
451	P	95.8	Very high	97.7	Very high	6 Å²	6	74.7 Å²	74.7	4%	0.039	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-58.9	-25	179.3	-22.4	34.9	0	0	0	114	E441 R445 K449 T453 L454	E441-P451 HydrophobicContact CB-CB 3.77Å; E441-P451 HydrophobicContact CB-CG 3.93Å; E441-P451 HydrophobicContact CG-CB 3.76Å; E441-P451 HydrophobicContact CG-CG 4.47Å; E441-P451 WeakPolarHBondContact O-CG 3.45Å; R445-P451 HydrophobicContact CG-CG 3.57Å; K449-P451 WeakPolarHBondContact O-CD 3.49Å; P451-T453 PolarHBondContact O-N 3.48Å; P451-L454 PolarHBondContact O-N 3.42Å
452	A	95.9	Very high	97.7	Very high	74 Å²	74	74.8 Å²	74.8	61%	0.612	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.7	176.8	0	0	0	0	0	113	D450	D450-A452 PolarHBondContact O-N 3.39Å; D450-A452 VanDerWaalsContact O-N 3.14Å; D450-A452 WeakPolarHBondContact OD1-CB 3.36Å; D450-A452 PolarHBondContact OD1-N 3.16Å
453	T	97.2	Very high	97.7	Very high	91 Å²	91	73.7 Å²	73.7	56%	0.558	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-93.1	-1.1	175	67.7	0	0	0	0	113.6	D450 P451 Y456	D450-T453 HydrophobicContact CB-CG2 4.27Å; D450-T453 PolarHBondContact O-N 2.93Å; D450-T453 PolarHBondContact O-OG1 2.95Å; P451-T453 PolarHBondContact O-N 3.48Å; T453-Y456 WeakPolarHBondContact O-CE1 3.28Å
454	L	97.1	Very high	97.7	Very high	11 Å²	11	78.7 Å²	78.7	6%	0.058	41%	0.41	C	S	.	.			trans	-112	19.5	-169.4	-59.4	-179.9	0	0	0	113.3	Y444 K449 P451 Y456 V457 V458	Y444-L454 HydrophobicContact CD1-CD1 3.56Å; Y444-L454 HydrophobicContact CD2-CD1 3.54Å; Y444-L454 HydrophobicContact CE1-CD1 4.01Å; Y444-L454 HydrophobicContact CE2-CD1 3.98Å; Y444-L454 HydrophobicContact CG-CD1 3.3Å; K449-L454 HydrophobicContact CB-CD1 4Å; K449-L454 HydrophobicContact CD-CD1 4.26Å; P451-L454 PolarHBondContact O-N 3.42Å; L454-Y456 HydrophobicContact CD2-CE1 3.77Å; L454-Y456 PolarHBondContact O-N 2.8Å; L454-Y456 VanDerWaalsContact O-N 3.1Å; L454-V457 HydrophobicContact CB-CG1 4.02Å; L454-V457 WeakPolarHBondContact O-CG1 3.47Å; L454-V457 PolarHBondContact O-N 2.87Å; L454-V458 HydrophobicContact CB-CG2 3.79Å; L454-V458 WeakPolarHBondContact O-CG2 3.45Å; L454-V458 PolarHBondContact O-N 2.79Å
455	D	96.6	Very high	97.8	Very high	94 Å²	94	78.2 Å²	78.2	50%	0.503	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.6	177	-86.6	-31.4	0	0	0	113.3	R437 V457 P459	R437-D455 IonicContact CZ-OD1 3.31Å; R437-D455 IonicContact NH2-OD1 2.68Å; R437-D455 PolarHBondContact NH2-OD1 2.92Å; D455-V457 PolarHBondContact O-N 2.99Å; D455-P459 WeakPolarHBondContact O-CD 3.16Å
456	Y	97.5	Very high	97.8	Very high	174 Å²	174	74.5 Å²	74.5	68%	0.682	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-11	175.4	73.2	-90.4	0	0	0	113.8	T453 L454 F460	T453-Y456 WeakPolarHBondContact O-CE1 3.28Å; L454-Y456 HydrophobicContact CD2-CE1 3.77Å; L454-Y456 PolarHBondContact O-N 2.8Å; L454-Y456 VanDerWaalsContact O-N 3.1Å; Y456-F460 WeakPolarHBondContact O-CD2 3.43Å; Y456-F460 VanDerWaalsContact O-CE2 3.31Å; Y456-F460 WeakPolarHBondContact O-CE2 3.46Å
457	V	98.1	Very high	97.8	Very high	34 Å²	34	70.1 Å²	70.1	21%	0.206	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	-33.3	-177	66.2	0	0	0	0	114.1	Y444 L454 D455 F460 K461	Y444-V457 HydrophobicContact CE2-CG1 4.19Å; Y444-V457 WeakPolarHBondContact OH-CG1 3.26Å; L454-V457 HydrophobicContact CB-CG1 4.02Å; L454-V457 WeakPolarHBondContact O-CG1 3.47Å; L454-V457 PolarHBondContact O-N 2.87Å; D455-V457 PolarHBondContact O-N 2.99Å; V457-F460 PolarHBondContact O-N 3.47Å; V457-F460 VanDerWaalsContact O-N 3.11Å; V457-K461 HydrophobicContact CG2-CD 4.13Å; V457-K461 HydrophobicContact CG2-CG 4.28Å; V457-K461 PolarHBondContact O-N 2.87Å
458	V	98.4	Very high	97.9	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-53	-49.8	-176.2	165.9	0	0	0	0	112.5	R437 V440 E441 Y444 L454 F460 K461	R437-V458 HydrophobicContact CG-CG1 3.75Å; V440-V458 HydrophobicContact CG1-CB 4.46Å; V440-V458 HydrophobicContact CG1-CG1 4.18Å; V440-V458 HydrophobicContact CG1-CG2 4.33Å; E441-V458 HydrophobicContact CG-CG1 3.92Å; E441-V458 HydrophobicContact CG-CG2 4.39Å; Y444-V458 HydrophobicContact CD2-CG2 3.84Å; Y444-V458 HydrophobicContact CE2-CG2 3.67Å; L454-V458 HydrophobicContact CB-CG2 3.79Å; L454-V458 WeakPolarHBondContact O-CG2 3.45Å; L454-V458 PolarHBondContact O-N 2.79Å; V458-F460 PolarHBondContact O-N 3.4Å; V458-K461 PolarHBondContact O-N 2.91Å; V458-K461 VanDerWaalsContact O-N 3.12Å
459	P	98.4	Very high	98	Very high	60 Å²	60	61.5 Å²	61.5	39%	0.39	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-60.7	-31.3	-178.9	-23.5	34.9	0	0	0	113.6	D455 K461 V462	D455-P459 WeakPolarHBondContact O-CD 3.16Å; P459-K461 VanDerWaalsContact C-N 3.29Å; P459-K461 PolarHBondContact O-N 3.02Å; P459-V462 PolarHBondContact O-N 3.44Å
460	F	98.3	Very high	98	Very high	148 Å²	148	57.1 Å²	57.1	65%	0.649	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-78.1	-14	-177.6	-55.6	-84.8	0	0	0	113.3	Q394 Y456 V457 V458	Q394-F460 PolarHBondContact NE2-O 2.81Å; Y456-F460 WeakPolarHBondContact O-CD2 3.43Å; Y456-F460 VanDerWaalsContact O-CE2 3.31Å; Y456-F460 WeakPolarHBondContact O-CE2 3.46Å; V457-F460 PolarHBondContact O-N 3.47Å; V457-F460 VanDerWaalsContact O-N 3.11Å; V458-F460 PolarHBondContact O-N 3.4Å
461	K	98.3	Very high	98.1	Very high	69 Å²	69	53.3 Å²	53.3	30%	0.3	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-100.2	1.3	177.3	-68.3	-172.1	74.4	-170.7	0	113.5	V440 Y444 V457 V458 P459 F463	V440-K461 HydrophobicContact CG1-CB 3.82Å; V440-K461 HydrophobicContact CG2-CB 4.11Å; V440-K461 VanDerWaalsContact CG2-O 3.32Å; V440-K461 WeakPolarHBondContact CG2-O 3.25Å; Y444-K461 HydrophobicContact CE2-CD 4.49Å; Y444-K461 WeakPolarHBondContact OH-CD 3.48Å; V457-K461 HydrophobicContact CG2-CD 4.13Å; V457-K461 HydrophobicContact CG2-CG 4.28Å; V457-K461 PolarHBondContact O-N 2.87Å; V458-K461 PolarHBondContact O-N 2.91Å; V458-K461 VanDerWaalsContact O-N 3.12Å; P459-K461 VanDerWaalsContact C-N 3.29Å; P459-K461 PolarHBondContact O-N 3.02Å; K461-F463 VanDerWaalsContact O-CD2 3.3Å; K461-F463 WeakPolarHBondContact O-CD2 3.35Å
462	V	98.7	Very high	98.2	Very high	38 Å²	38	53 Å²	53	23%	0.23	27%	0.273	C	S	.	.			trans	-75.2	137.8	172.1	177.2	0	0	0	0	109.1	Q394 R437 P459	Q394-V462 PolarHBondContact NE2-O 3.5Å; R437-V462 HydrophobicContact CB-CG2 3.96Å; P459-V462 PolarHBondContact O-N 3.44Å
463	F	98.8	Very high	98.4	Very high	62 Å²	62	51.5 Å²	51.5	27%	0.272	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-118	115.3	171.9	-70.7	-107.7	0	0	0	107.2	H393 Q394 G434 K435 K461 G465	H393-F463 HydrophobicContact CB-CD1 3.9Å; H393-F463 HydrophobicContact CB-CE1 3.8Å; H393-F463 AromaticContact ND1-CD1 3.99Å; Q394-F463 HydrophobicContact CG-CD1 4Å; Q394-F463 HydrophobicContact CG-CE1 3.91Å; Q394-F463 HydrophobicContact CG-CZ 4.39Å; G434-F463 CarbonylContact C-O 3.24Å; G434-F463 VanDerWaalsContact CA-O 3.29Å; G434-F463 WeakPolarHBondContact CA-O 3.46Å; K435-F463 HydrophobicContact CB-CB 4.12Å; K435-F463 HydrophobicContact CB-CD2 4.28Å; K435-F463 PolarHBondContact N-O 2.73Å; K435-F463 PolarHBondContact O-N 3.15Å; K461-F463 VanDerWaalsContact O-CD2 3.3Å; K461-F463 WeakPolarHBondContact O-CD2 3.35Å; F463-G465 PolarHBondContact O-N 2.95Å
464	E	98.6	Very high	98.5	Very high	168 Å²	168	47.2 Å²	47.2	79%	0.785	23%	0.229	S	C	*	.			trans	-68.4	-18.8	-177.2	-63	178.3	-179.7	0	0	112.9
465	G	98.7	Very high	98.6	Very high	9 Å²	9	53.2 Å²	53.2	9%	0.093	25%	0.251	C	S	.	.			trans	63.9	-146.6	-177	0	0	0	0	0	111.8	L431 F463 R467	L431-G465 CarbonylContact O-C 3.48Å; L431-G465 VanDerWaalsContact O-C 3.24Å; L431-G465 WeakPolarHBondContact O-CA 3.44Å; F463-G465 PolarHBondContact O-N 2.95Å; G465-R467 VanDerWaalsContact O-CG 3.25Å; G465-R467 WeakPolarHBondContact O-CG 3.41Å; G465-R467 PolarHBondContact O-N 3.42Å
466	N	98.8	Very high	98.7	Very high	31 Å²	31	51.1 Å²	51.1	17%	0.166	24%	0.238	C	C	.	.			trans	57.8	29.4	178.1	-156.8	22.9	0	0	0	114.7	V25 T26 I27 R57 L431 A432	V25-N466 PolarHBondContact O-ND2 2.92Å; T26-N466 WeakPolarHBondContact CA-OD1 3.38Å; I27-N466 PolarHBondContact N-OD1 3.21Å; R57-N466 WeakPolarHBondContact CD-OD1 3.42Å; R57-N466 PolarHBondContact NE-ND2 3.29Å; R57-N466 PolarHBondContact NE-OD1 2.62Å; R57-N466 PolarHBondContact NH2-ND2 2.66Å; L431-N466 PolarHBondContact O-N 2.94Å; A432-N466 PolarHBondContact O-N 3Å
467	R	98.9	Very high	98.7	Very high	30 Å²	30	42.9 Å²	42.9	11%	0.113	21%	0.205	C	C	.	.			trans	-103.2	120.4	-179.7	-52.3	-166.5	176.5	-101	-1.7	109.9	I392 H393 G395 K397 L431 G465	I392-R467 WeakPolarHBondContact O-CD 3.38Å; I392-R467 PolarHBondContact O-NE 2.91Å; I392-R467 PolarHBondContact O-NH1 2.79Å; H393-R467 VanDerWaalsContact C-NE 3.33Å; H393-R467 PolarHBondContact O-NE 3.03Å; H393-R467 PolarHBondContact O-NH2 3.38Å; G395-R467 PolarHBondContact O-NH1 3.14Å; G395-R467 PolarHBondContact O-NH2 2.59Å; K397-R467 PolarHBondContact O-NH1 3.05Å; L431-R467 CarbonylContact C-O 3.27Å; L431-R467 HydrophobicContact CB-CB 4.06Å; L431-R467 HydrophobicContact CD2-CB 3.83Å; L431-R467 HydrophobicContact CD2-CG 4.35Å; L431-R467 WeakPolarHBondContact O-CB 3.46Å; L431-R467 PolarHBondContact O-N 3.46Å; G465-R467 VanDerWaalsContact O-CG 3.25Å; G465-R467 WeakPolarHBondContact O-CG 3.41Å; G465-R467 PolarHBondContact O-N 3.42Å
468	P	98.9	Very high	98.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.			trans	-79	142.6	-166	29.8	-34.4	0	0	0	113.1	K55 Y324 M398 P400 C401	K55-P468 VanDerWaalsContact O-CA 3.32Å; K55-P468 WeakPolarHBondContact O-CA 3.17Å; Y324-P468 HydrophobicContact CD1-CG 4.31Å; Y324-P468 HydrophobicContact CE1-CB 3.98Å; Y324-P468 HydrophobicContact CE1-CG 3.77Å; Y324-P468 HydrophobicContact CE2-CB 3.92Å; Y324-P468 HydrophobicContact CE2-CG 4.05Å; Y324-P468 VanDerWaalsContact CZ-CB 3.41Å; Y324-P468 WeakPolarHBondContact OH-CB 3.41Å; M398-P468 HydrophobicContact CG-CG 4.36Å; M398-P468 HydrophobicContact SD-CG 4.07Å; P400-P468 HydrophobicContact CB-CG 4.38Å; P400-P468 HydrophobicContact CG-CG 4.3Å; C401-P468 PolarHBondContact N-O 2.98Å
469	T	99	Very high	98.8	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.2	175.7	60.7	0	0	0	0	111.8	K55 C401 F403 T428 L431	K55-T469 PolarHBondContact O-N 3.19Å; C401-T469 HydrophobicContact CB-CG2 4.18Å; C401-T469 CarbonylContact O-C 3.48Å; C401-T469 VanDerWaalsContact O-CA 3.23Å; C401-T469 WeakPolarHBondContact O-CA 3.5Å; F403-T469 HydrophobicContact CD2-CG2 4.14Å; F403-T469 HydrophobicContact CE2-CG2 3.92Å; T428-T469 WeakPolarHBondContact CB-OG1 3.12Å; T428-T469 HydrophobicContact CG2-CG2 4.13Å; L431-T469 HydrophobicContact CB-CG2 4.15Å; L431-T469 HydrophobicContact CD1-CG2 3.52Å; L431-T469 HydrophobicContact CG-CG2 4.47Å
470	N	99	Very high	98.8	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.2	156.3	-57.6	-58.4	0	0	0	108.6	D52 Y53 N56 L317 C401 D402 F403	D52-N470 CarbonylContact O-C 3.47Å; D52-N470 WeakPolarHBondContact O-CA 3.21Å; Y53-N470 VanDerWaalsContact CB-OD1 3.28Å; Y53-N470 WeakPolarHBondContact CB-OD1 3.37Å; N56-N470 PolarHBondContact ND2-OD1 3.34Å; L317-N470 HydrophobicContact CD2-CB 4.42Å; C401-N470 PolarHBondContact O-N 3.26Å; D402-N470 WeakPolarHBondContact OD1-CB 3.41Å; D402-N470 PolarHBondContact OD1-ND2 3.41Å; F403-N470 PolarHBondContact N-O 3.37Å
471	S	99	Very high	98.9	Very high	11 Å²	11	34.5 Å²	34.5	8%	0.077	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.1	170.9	-65.8	0	0	0	0	109.7	D52 F403	D52-S471 PolarHBondContact N-O 2.97Å; D52-S471 PolarHBondContact O-N 2.9Å; F403-S471 CarbonylContact O-C 3.56Å; F403-S471 WeakPolarHBondContact O-CA 3.39Å
472	I	99	Very high	98.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	99.5	177	-54	178.8	0	0	0	107.8	M49 L50 V51 F403 I404 A405 L474 L485 L488 Y489	M49-I472 HydrophobicContact CG-CG2 3.84Å; M49-I472 HydrophobicContact SD-CG2 4.28Å; L50-I472 CarbonylContact O-C 3.56Å; L50-I472 VanDerWaalsContact O-CA 3.3Å; L50-I472 WeakPolarHBondContact O-CA 3.47Å; V51-I472 HydrophobicContact CG1-CG1 4.33Å; V51-I472 HydrophobicContact CG2-CG1 4.4Å; V51-I472 HydrophobicContact CG2-CG2 4.34Å; F403-I472 PolarHBondContact O-N 2.64Å; I404-I472 CarbonylContact C-O 3.34Å; I404-I472 WeakPolarHBondContact CA-O 3.36Å; I404-I472 HydrophobicContact CG1-CB 4.26Å; I404-I472 HydrophobicContact CG1-CD1 4.37Å; I404-I472 HydrophobicContact CG2-CB 4.27Å; I404-I472 HydrophobicContact CG2-CG2 4.39Å; A405-I472 PolarHBondContact N-O 2.99Å; I472-L474 HydrophobicContact CG2-CD1 3.96Å; I472-L485 HydrophobicContact CD1-CD1 4.28Å; I472-L485 HydrophobicContact CG2-CD1 4Å; I472-L488 HydrophobicContact CD1-CD2 4.17Å; I472-Y489 HydrophobicContact CD1-CE2 4.42Å
473	L	99	Very high	98.9	Very high	43 Å²	43	29.4 Å²	29.4	23%	0.225	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.6	178.8	-179.1	68.4	0	0	0	109.4	L50 A405 A407 F424	L50-L473 HydrophobicContact CB-CB 4.38Å; L50-L473 PolarHBondContact N-O 3.3Å; L50-L473 PolarHBondContact O-N 3.12Å; A405-L473 HydrophobicContact CB-CD1 4.43Å; A405-L473 WeakPolarHBondContact O-CA 3.19Å; A407-L473 HydrophobicContact CB-CD1 4.37Å; F424-L473 HydrophobicContact CE1-CD1 4.44Å
474	L	98.9	Very high	98.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	155.7	175.2	-56.6	92.5	0	0	0	110.3	Q48 M49 I404 A405 P406 A407 I472 I477 L485	Q48-L474 CarbonylContact O-C 3.54Å; Q48-L474 WeakPolarHBondContact O-CA 3.18Å; M49-L474 HydrophobicContact CB-CG 4.39Å; M49-L474 HydrophobicContact CE-CD2 3.71Å; M49-L474 HydrophobicContact CE-CG 4.48Å; M49-L474 HydrophobicContact CG-CD2 4.34Å; M49-L474 HydrophobicContact CG-CG 4.1Å; I404-L474 HydrophobicContact CG2-CD1 3.58Å; A405-L474 PolarHBondContact O-N 3.44Å; P406-L474 CarbonylContact C-O 3.54Å; P406-L474 WeakPolarHBondContact CA-O 3.33Å; A407-L474 PolarHBondContact N-O 3.24Å; I472-L474 HydrophobicContact CG2-CD1 3.96Å; L474-I477 HydrophobicContact CD1-CD1 4.09Å; L474-I477 HydrophobicContact CD2-CD1 4.16Å; L474-I477 HydrophobicContact CG-CD1 4.49Å; L474-L485 HydrophobicContact CD1-CD2 4.46Å
475	R	98.9	Very high	98.9	Very high	137 Å²	137	18.4 Å²	18.4	52%	0.517	9%	0.087	S	C	.	.	S	Bend	trans	-59.1	-52.6	169.4	-80.4	179.7	-179.1	-102.6	7.3	110.9	D47 Q48 A407 I408	D47-R475 PolarHBondContact O-NE 3.08Å; D47-R475 IonicContact OD2-CZ 3.44Å; D47-R475 IonicContact OD2-NH2 3.14Å; D47-R475 PolarHBondContact OD2-NH2 2.69Å; Q48-R475 HydrophobicContact CB-CB 4.41Å; Q48-R475 HydrophobicContact CB-CG 4.22Å; Q48-R475 PolarHBondContact O-N 3.16Å; A407-R475 CarbonylContact C-O 3.53Å; A407-R475 PolarHBondContact N-O 3.24Å; I408-R475 WeakPolarHBondContact CB-O 3.24Å; I408-R475 PolarHBondContact N-O 2.73Å
476	E	98.9	Very high	98.9	Very high	49 Å²	49	18 Å²	18	23%	0.229	8%	0.083	C	C	.	.			trans	-156.6	153.5	-179.7	-172.6	168.6	-142.1	0	0	108.4	I408 H410 T478 S481	I408-E476 HydrophobicContact CB-CB 4.18Å; I408-E476 HydrophobicContact CB-CG 4.33Å; I408-E476 HydrophobicContact CG2-CG 4.41Å; H410-E476 IonicContact CE1-OE1 2.96Å; H410-E476 PolarHBondContact CE1-OE1 3.28Å; H410-E476 VanDerWaalsContact CE1-OE1 3.25Å; H410-E476 IonicContact ND1-OE1 3.36Å; H410-E476 IonicContact NE2-OE1 3.86Å; E476-T478 HydrophobicContact CB-CG2 4.05Å; E476-T478 HydrophobicContact CG-CG2 4.15Å; E476-T478 PolarHBondContact O-N 3.28Å; E476-S481 PolarHBondContact O-OG 3.4Å
477	I	98.9	Very high	98.9	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.075	C	C	.	.			trans	-80.9	103.7	168.6	-55.1	-53.2	0	0	0	108.2	L169 M342 P406 H410 L474 S481 L482	L169-I477 HydrophobicContact CD2-CG2 4.39Å; M342-I477 HydrophobicContact SD-CD1 3.75Å; M342-I477 HydrophobicContact SD-CG1 3.97Å; P406-I477 HydrophobicContact CB-CD1 4.25Å; P406-I477 HydrophobicContact CB-CG1 3.96Å; P406-I477 HydrophobicContact CG-CG1 4Å; H410-I477 PolarHBondContact NE2-O 3.1Å; L474-I477 HydrophobicContact CD1-CD1 4.09Å; L474-I477 HydrophobicContact CD2-CD1 4.16Å; L474-I477 HydrophobicContact CG-CD1 4.49Å; I477-S481 WeakPolarHBondContact CA-OG 3.33Å; I477-L482 HydrophobicContact CG2-CB 4.34Å
478	T	99	Very high	98.9	Very high	27 Å²	27	15.1 Å²	15.1	17%	0.166	7%	0.069	C	C	.	.			trans	-116.2	167.3	176.9	72.4	0	0	0	0	108.5	Y172 E476 F480 S481 L482	Y172-T478 WeakPolarHBondContact OH-CG2 3.46Å; E476-T478 HydrophobicContact CB-CG2 4.05Å; E476-T478 HydrophobicContact CG-CG2 4.15Å; E476-T478 PolarHBondContact O-N 3.28Å; T478-F480 PolarHBondContact O-N 3.27Å; T478-F480 PolarHBondContact OG1-N 3.06Å; T478-S481 PolarHBondContact N-OG 2.91Å; T478-S481 PolarHBondContact O-N 3.05Å; T478-S481 PolarHBondContact O-OG 3.25Å; T478-S481 PolarHBondContact OG1-N 2.82Å; T478-S481 PolarHBondContact OG1-OG 2.81Å; T478-L482 VanDerWaalsContact O-CB 3.27Å; T478-L482 WeakPolarHBondContact O-CB 3.42Å; T478-L482 PolarHBondContact O-N 3.21Å
479	P	99	Very high	98.9	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.032	7%	0.07	C	C	.	.	H	α-helix	trans	-53.5	-45.5	173.2	-24.1	32.2	0	0	0	111.7	L169 Y172 N289 E292 L293 G483	L169-P479 HydrophobicContact CD1-CB 3.94Å; L169-P479 HydrophobicContact CD1-CG 4.1Å; L169-P479 HydrophobicContact CD2-CG 4.27Å; Y172-P479 HydrophobicContact CD1-CG 4.12Å; Y172-P479 HydrophobicContact CD2-CG 4.4Å; Y172-P479 HydrophobicContact CE1-CG 4.28Å; Y172-P479 HydrophobicContact CG-CG 4.2Å; N289-P479 HydrophobicContact CB-CB 4.47Å; N289-P479 HydrophobicContact CB-CG 3.95Å; N289-P479 WeakPolarHBondContact O-CB 3.31Å; E292-P479 HydrophobicContact CB-CB 3.9Å; L293-P479 VanDerWaalsContact CA-O 3.3Å; L293-P479 WeakPolarHBondContact CA-O 3.49Å; L293-P479 HydrophobicContact CB-CB 4.19Å; L293-P479 VanDerWaalsContact CD1-O 3.31Å; L293-P479 WeakPolarHBondContact CD1-O 3.49Å; P479-G483 PolarHBondContact O-N 2.98Å
480	F	98.9	Very high	98.9	Very high	34 Å²	34	15.2 Å²	15.2	15%	0.149	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-53.5	175.9	-172.9	-78.5	0	0	0	112.7	D46 E292 G296 A299 T478 L482 G483 A484	D46-F480 VanDerWaalsContact OD2-CE1 3.29Å; D46-F480 WeakPolarHBondContact OD2-CE1 3.31Å; D46-F480 WeakPolarHBondContact OD2-CZ 3.17Å; E292-F480 VanDerWaalsContact O-CA 3.32Å; E292-F480 WeakPolarHBondContact O-CA 3.37Å; G296-F480 VanDerWaalsContact CA-CD2 3.48Å; G296-F480 VanDerWaalsContact CA-O 3.32Å; G296-F480 WeakPolarHBondContact CA-O 3.49Å; A299-F480 HydrophobicContact CB-CE2 4.44Å; A299-F480 HydrophobicContact CB-CZ 3.75Å; T478-F480 PolarHBondContact O-N 3.27Å; T478-F480 PolarHBondContact OG1-N 3.06Å; F480-L482 VanDerWaalsContact C-N 3.31Å; F480-L482 PolarHBondContact O-N 2.99Å; F480-G483 PolarHBondContact O-N 3.36Å; F480-G483 VanDerWaalsContact O-N 3.12Å; F480-A484 PolarHBondContact O-N 3.24Å
481	S	98.9	Very high	98.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.8	-33.5	-174.6	75.2	0	0	0	0	112.1	E476 I477 T478 A484 L485	E476-S481 PolarHBondContact O-OG 3.4Å; I477-S481 WeakPolarHBondContact CA-OG 3.33Å; T478-S481 PolarHBondContact N-OG 2.91Å; T478-S481 PolarHBondContact O-N 3.05Å; T478-S481 PolarHBondContact O-OG 3.25Å; T478-S481 PolarHBondContact OG1-N 2.82Å; T478-S481 PolarHBondContact OG1-OG 2.81Å; S481-A484 PolarHBondContact O-N 3.43Å; S481-L485 VanDerWaalsContact O-CB 3.32Å; S481-L485 WeakPolarHBondContact O-CB 3.35Å; S481-L485 PolarHBondContact O-N 3.29Å
482	L	99	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.9	-42.2	171.5	-175.6	64.7	0	0	0	111.5	V165 A168 L169 L293 F345 I477 T478 F480 A484 L485 I486	V165-L482 HydrophobicContact CG1-CD2 4.24Å; V165-L482 HydrophobicContact CG2-CD2 4.48Å; A168-L482 HydrophobicContact CB-CD1 4.36Å; A168-L482 HydrophobicContact CB-CD2 3.59Å; L169-L482 HydrophobicContact CD1-CD2 3.98Å; L169-L482 HydrophobicContact CD2-CB 4.32Å; L169-L482 HydrophobicContact CD2-CD2 3.87Å; L169-L482 HydrophobicContact CG-CD2 3.65Å; L293-L482 HydrophobicContact CD1-CB 4.42Å; L293-L482 HydrophobicContact CD1-CG 4.46Å; F345-L482 HydrophobicContact CD2-CD1 4.35Å; F345-L482 HydrophobicContact CE2-CD1 4.14Å; I477-L482 HydrophobicContact CG2-CB 4.34Å; T478-L482 VanDerWaalsContact O-CB 3.27Å; T478-L482 WeakPolarHBondContact O-CB 3.42Å; T478-L482 PolarHBondContact O-N 3.21Å; F480-L482 VanDerWaalsContact C-N 3.31Å; F480-L482 PolarHBondContact O-N 2.99Å; L482-A484 VanDerWaalsContact C-N 3.34Å; L482-A484 PolarHBondContact O-N 2.88Å; L482-L485 PolarHBondContact O-N 3.42Å; L482-I486 HydrophobicContact CD1-CD1 4.24Å; L482-I486 HydrophobicContact CD1-CG1 4.3Å; L482-I486 HydrophobicContact CD2-CD1 4.47Å; L482-I486 HydrophobicContact CG-CD1 3.86Å; L482-I486 HydrophobicContact CG-CG1 4.38Å; L482-I486 VanDerWaalsContact O-CG1 3.26Å; L482-I486 WeakPolarHBondContact O-CG1 3.34Å; L482-I486 PolarHBondContact O-N 3.01Å
483	G	99	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.7	-46.6	175.8	0	0	0	0	0	112.1	L293 A297 P479 F480 L485 I486 A487	L293-G483 WeakPolarHBondContact O-CA 3.33Å; A297-G483 WeakPolarHBondContact CA-O 3.38Å; A297-G483 WeakPolarHBondContact CB-O 3.48Å; P479-G483 PolarHBondContact O-N 2.98Å; F480-G483 PolarHBondContact O-N 3.36Å; F480-G483 VanDerWaalsContact O-N 3.12Å; G483-L485 PolarHBondContact O-N 3.47Å; G483-I486 PolarHBondContact O-N 3.45Å; G483-A487 WeakPolarHBondContact O-CB 3.39Å; G483-A487 PolarHBondContact O-N 3.21Å; G483-A487 VanDerWaalsContact O-N 3.09Å
484	A	99	Very high	98.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.7	-42.4	175	0	0	0	0	0	112.1	F45 M49 G296 M300 F480 S481 L482 A487 L488	F45-A484 HydrophobicContact CD1-CB 4.29Å; F45-A484 HydrophobicContact CE1-CB 3.53Å; F45-A484 HydrophobicContact CZ-CB 4.17Å; M49-A484 HydrophobicContact CE-CB 3.87Å; G296-A484 WeakPolarHBondContact O-CA 3.25Å; G296-A484 WeakPolarHBondContact O-CB 3.35Å; M300-A484 HydrophobicContact CB-CB 4.35Å; M300-A484 HydrophobicContact CE-CB 4.32Å; M300-A484 WeakPolarHBondContact CG-O 3.31Å; F480-A484 PolarHBondContact O-N 3.24Å; S481-A484 PolarHBondContact O-N 3.43Å; L482-A484 VanDerWaalsContact C-N 3.34Å; L482-A484 PolarHBondContact O-N 2.88Å; A484-A487 PolarHBondContact O-N 3.24Å; A484-L488 WeakPolarHBondContact O-CB 3.38Å; A484-L488 PolarHBondContact O-N 3.29Å
485	L	98.9	Very high	98.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67.6	-40.9	-178.9	-175.8	64.2	0	0	0	112.1	M49 M342 F345 I404 I472 L474 S481 L482 G483 L488 Y489	M49-L485 HydrophobicContact CE-CB 3.88Å; M49-L485 HydrophobicContact CE-CD1 4.29Å; M49-L485 HydrophobicContact SD-CD1 4.23Å; M342-L485 HydrophobicContact CE-CD2 3.71Å; F345-L485 HydrophobicContact CE1-CD2 4.46Å; F345-L485 HydrophobicContact CE2-CD2 4.07Å; F345-L485 HydrophobicContact CE2-CG 4.31Å; F345-L485 HydrophobicContact CZ-CD2 3.76Å; F345-L485 HydrophobicContact CZ-CG 3.79Å; I404-L485 HydrophobicContact CD1-CD2 4.35Å; I404-L485 HydrophobicContact CG2-CD2 3.93Å; I472-L485 HydrophobicContact CD1-CD1 4.28Å; I472-L485 HydrophobicContact CG2-CD1 4Å; L474-L485 HydrophobicContact CD1-CD2 4.46Å; S481-L485 VanDerWaalsContact O-CB 3.32Å; S481-L485 WeakPolarHBondContact O-CB 3.35Å; S481-L485 PolarHBondContact O-N 3.29Å; L482-L485 PolarHBondContact O-N 3.42Å; G483-L485 PolarHBondContact O-N 3.47Å; L485-L488 HydrophobicContact CD1-CD2 4.07Å; L485-L488 WeakPolarHBondContact O-CB 3.42Å; L485-L488 PolarHBondContact O-N 2.93Å; L485-Y489 HydrophobicContact CD1-CD2 4.47Å; L485-Y489 HydrophobicContact CD1-CE2 4.07Å; L485-Y489 HydrophobicContact CG-CE2 4.48Å; L485-Y489 WeakPolarHBondContact O-CD2 3.3Å; L485-Y489 PolarHBondContact O-N 2.95Å
486	I	99	Very high	98.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.9	-47.7	175.9	-62.4	160.2	0	0	0	109.6	M164 V165 W274 F345 Y348 F349 L482 G483 L488 Y489 E490	M164-I486 HydrophobicContact CE-CD1 3.7Å; M164-I486 HydrophobicContact CE-CG1 4.03Å; M164-I486 HydrophobicContact SD-CD1 4.44Å; V165-I486 HydrophobicContact CG2-CD1 4.01Å; W274-I486 HydrophobicContact CH2-CB 3.86Å; W274-I486 HydrophobicContact CH2-CD1 4.07Å; W274-I486 HydrophobicContact CH2-CG2 3.92Å; W274-I486 HydrophobicContact CZ2-CB 3.93Å; W274-I486 HydrophobicContact CZ2-CG2 3.47Å; W274-I486 VanDerWaalsContact CZ2-CG2 3.47Å; F345-I486 HydrophobicContact CE2-CG1 4.03Å; Y348-I486 HydrophobicContact CE1-CG2 3.79Å; F349-I486 HydrophobicContact CZ-CB 4.46Å; F349-I486 HydrophobicContact CZ-CG2 3.97Å; L482-I486 HydrophobicContact CD1-CD1 4.24Å; L482-I486 HydrophobicContact CD1-CG1 4.3Å; L482-I486 HydrophobicContact CD2-CD1 4.47Å; L482-I486 HydrophobicContact CG-CD1 3.86Å; L482-I486 HydrophobicContact CG-CG1 4.38Å; L482-I486 VanDerWaalsContact O-CG1 3.26Å; L482-I486 WeakPolarHBondContact O-CG1 3.34Å; L482-I486 PolarHBondContact O-N 3.01Å; G483-I486 PolarHBondContact O-N 3.45Å; I486-L488 VanDerWaalsContact C-N 3.27Å; I486-L488 PolarHBondContact O-N 2.9Å; I486-Y489 PolarHBondContact O-N 2.89Å; I486-Y489 VanDerWaalsContact O-N 3.13Å; I486-E490 HydrophobicContact CG2-CG 4.36Å; I486-E490 WeakPolarHBondContact O-CG 3.24Å; I486-E490 PolarHBondContact O-N 3.08Å
487	A	98.9	Very high	98.9	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-62.2	-32.3	178.6	0	0	0	0	0	113	A297 M300 G483 A484 Y489 E490 H491	A297-A487 HydrophobicContact CB-CB 4Å; M300-A487 HydrophobicContact CB-CB 3.77Å; M300-A487 HydrophobicContact CG-CB 3.79Å; G483-A487 WeakPolarHBondContact O-CB 3.39Å; G483-A487 PolarHBondContact O-N 3.21Å; G483-A487 VanDerWaalsContact O-N 3.09Å; A484-A487 PolarHBondContact O-N 3.24Å; A487-Y489 VanDerWaalsContact C-N 3.3Å; A487-Y489 PolarHBondContact O-N 2.56Å; A487-E490 PolarHBondContact O-N 3.33Å; A487-H491 WeakPolarHBondContact O-CB 3.4Å; A487-H491 PolarHBondContact O-CD2 3.2Å; A487-H491 PolarHBondContact O-N 3.02Å
488	L	99	Very high	98.9	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-55.6	-48	173.2	174.2	68.2	0	0	0	110.6	M49 M300 L313 P314 L317 I472 A484 L485 I486 K492	M49-L488 HydrophobicContact SD-CD2 4.13Å; M300-L488 HydrophobicContact CE-CB 4.06Å; M300-L488 HydrophobicContact CE-CD1 4.28Å; M300-L488 HydrophobicContact CG-CB 4.32Å; M300-L488 HydrophobicContact SD-CB 4.19Å; M300-L488 HydrophobicContact SD-CD1 4.1Å; L313-L488 HydrophobicContact CB-CD1 3.73Å; P314-L488 HydrophobicContact CB-CD1 4.38Å; P314-L488 HydrophobicContact CG-CD1 3.81Å; L317-L488 HydrophobicContact CD1-CD1 4Å; L317-L488 HydrophobicContact CD1-CD2 3.85Å; L317-L488 HydrophobicContact CD1-CG 3.97Å; I472-L488 HydrophobicContact CD1-CD2 4.17Å; A484-L488 WeakPolarHBondContact O-CB 3.38Å; A484-L488 PolarHBondContact O-N 3.29Å; L485-L488 HydrophobicContact CD1-CD2 4.07Å; L485-L488 WeakPolarHBondContact O-CB 3.42Å; L485-L488 PolarHBondContact O-N 2.93Å; I486-L488 VanDerWaalsContact C-N 3.27Å; I486-L488 PolarHBondContact O-N 2.9Å; L488-K492 PolarHBondContact O-N 3.31Å
489	Y	99	Very high	98.9	Very high	3 Å²	3	2.6 Å²	2.6	1%	0.012	1%	0.012	C	C	.	.	H	α-helix	trans	-73.4	-38.4	178.8	-80.5	-79.3	0	0	0	112.9	I335 F345 F349 D402 I404 I472 L485 I486 A487 H491 K492 I493	I335-Y489 HydrophobicContact CD1-CE1 4.14Å; F345-Y489 HydrophobicContact CE1-CD2 4.12Å; F345-Y489 AromaticContact CE1-CE2 3.83Å; F345-Y489 HydrophobicContact CE1-CE2 3.83Å; F345-Y489 AromaticContact CZ-CD2 3.96Å; F345-Y489 HydrophobicContact CZ-CD2 3.96Å; F345-Y489 AromaticContact CZ-CE2 4Å; F345-Y489 HydrophobicContact CZ-CE2 4Å; F349-Y489 HydrophobicContact CD2-CG 4.4Å; F349-Y489 HydrophobicContact CE1-CG 4.16Å; F349-Y489 AromaticContact CE2-CD2 3.98Å; F349-Y489 HydrophobicContact CE2-CD2 3.98Å; F349-Y489 HydrophobicContact CE2-CG 4.03Å; F349-Y489 HydrophobicContact CZ-CD2 4.14Å; F349-Y489 AromaticContact CZ-CG 3.91Å; F349-Y489 HydrophobicContact CZ-CG 3.91Å; D402-Y489 VanDerWaalsContact CB-OH 3.24Å; D402-Y489 WeakPolarHBondContact CB-OH 3.28Å; D402-Y489 VanDerWaalsContact OD2-CE1 3.26Å; D402-Y489 WeakPolarHBondContact OD2-CE1 3.16Å; D402-Y489 PolarHBondContact OD2-OH 3.22Å; I404-Y489 HydrophobicContact CD1-CE2 4.16Å; I472-Y489 HydrophobicContact CD1-CE2 4.42Å; L485-Y489 HydrophobicContact CD1-CD2 4.47Å; L485-Y489 HydrophobicContact CD1-CE2 4.07Å; L485-Y489 HydrophobicContact CG-CE2 4.48Å; L485-Y489 WeakPolarHBondContact O-CD2 3.3Å; L485-Y489 PolarHBondContact O-N 2.95Å; I486-Y489 PolarHBondContact O-N 2.89Å; I486-Y489 VanDerWaalsContact O-N 3.13Å; A487-Y489 VanDerWaalsContact C-N 3.3Å; A487-Y489 PolarHBondContact O-N 2.56Å; Y489-H491 PolarHBondContact O-N 2.64Å; Y489-K492 HydrophobicContact CD1-CD 4.08Å; Y489-K492 HydrophobicContact CE1-CD 4.36Å; Y489-K492 WeakPolarHBondContact O-CB 3.28Å; Y489-K492 PolarHBondContact O-N 2.98Å; Y489-I493 WeakPolarHBondContact O-CB 3.5Å; Y489-I493 VanDerWaalsContact O-CD1 3.28Å; Y489-I493 WeakPolarHBondContact O-CD1 3.17Å; Y489-I493 WeakPolarHBondContact O-CG1 3.38Å; Y489-I493 PolarHBondContact O-N 3.28Å
490	E	98.9	Very high	98.9	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-55.3	-43.4	173.9	-69	178.4	152	0	0	111.2	H98 R102 Y271 W274 I486 A487 I493 F494	H98-E490 IonicContact CD2-OE2 3.44Å; R102-E490 IonicContact CZ-OE2 3.9Å; R102-E490 IonicContact NH1-OE1 2.82Å; R102-E490 IonicContact NH1-OE2 3.01Å; R102-E490 PolarHBondContact NH1-OE2 2.98Å; R102-E490 IonicContact NH2-OE2 2.73Å; R102-E490 PolarHBondContact NH2-OE2 2.94Å; Y271-E490 HydrophobicContact CD1-CB 4.3Å; Y271-E490 HydrophobicContact CD1-CG 3.79Å; Y271-E490 HydrophobicContact CE1-CB 3.95Å; Y271-E490 HydrophobicContact CE1-CG 3.76Å; W274-E490 PolarHBondContact NE1-OE1 3.36Å; I486-E490 HydrophobicContact CG2-CG 4.36Å; I486-E490 WeakPolarHBondContact O-CG 3.24Å; I486-E490 PolarHBondContact O-N 3.08Å; A487-E490 PolarHBondContact O-N 3.33Å; E490-I493 WeakPolarHBondContact O-CB 3.43Å; E490-I493 PolarHBondContact O-N 2.86Å; E490-F494 PolarHBondContact O-N 2.97Å
491	H	98.9	Very high	98.9	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-76.2	-29.8	178.4	-64.7	-37.3	0	0	0	113.4	D301 F304 P314 A487 Y489 I493 T495	D301-H491 IonicContact OD1-CD2 4Å; D301-H491 IonicContact OD1-CE1 3.29Å; D301-H491 PolarHBondContact OD1-CE1 2.96Å; D301-H491 VanDerWaalsContact OD1-CE1 3.31Å; D301-H491 IonicContact OD1-NE2 3.7Å; D301-H491 PolarHBondContact OD1-NE2 2.83Å; F304-H491 HydrophobicContact CB-CB 4.35Å; F304-H491 HydrophobicContact CD1-CB 3.83Å; F304-H491 AromaticContact CD1-CD2 3.81Å; F304-H491 AromaticContact CD1-CE1 3.85Å; F304-H491 AromaticContact CD1-CG 3.38Å; F304-H491 AromaticContact CD1-ND1 3.42Å; F304-H491 WeakPolarHBondContact CD1-ND1 3.43Å; F304-H491 HydrophobicContact CD2-CB 3.81Å; F304-H491 HydrophobicContact CE1-CB 4.03Å; F304-H491 AromaticContact CE1-CG 3.88Å; F304-H491 AromaticContact CE1-ND1 3.68Å; F304-H491 HydrophobicContact CE2-CB 4.02Å; F304-H491 HydrophobicContact CG-CB 3.71Å; F304-H491 AromaticContact CG-CD2 3.77Å; F304-H491 AromaticContact CG-CG 3.57Å; F304-H491 HydrophobicContact CZ-CB 4.13Å; P314-H491 HydrophobicContact CB-CB 3.48Å; P314-H491 VanDerWaalsContact CB-CB 3.48Å; P314-H491 HydrophobicContact CG-CB 3.77Å; A487-H491 WeakPolarHBondContact O-CB 3.4Å; A487-H491 PolarHBondContact O-CD2 3.2Å; A487-H491 PolarHBondContact O-N 3.02Å; Y489-H491 PolarHBondContact O-N 2.64Å; H491-I493 VanDerWaalsContact C-N 3.35Å; H491-T495 WeakPolarHBondContact O-CB 3.48Å; H491-T495 PolarHBondContact O-N 3.37Å; H491-T495 PolarHBondContact O-OG1 2.68Å
492	K	98.9	Very high	98.9	Very high	2 Å²	2	1 Å²	1	1%	0.009	1%	0.005	C	C	.	.	H	α-helix	trans	-56.6	-51.7	166.6	-179.9	-166	177	-173.8	0	109.5	L317 A318 E333 L488 Y489 F494 T495 Q496	L317-K492 HydrophobicContact CB-CD 4.17Å; L317-K492 HydrophobicContact CB-CG 4.19Å; A318-K492 HydrophobicContact CB-CG 4.07Å; A318-K492 WeakPolarHBondContact CB-O 3.49Å; E333-K492 IonicContact OE1-NZ 2.62Å; E333-K492 PolarHBondContact OE1-NZ 3.32Å; E333-K492 IonicContact OE2-NZ 2.71Å; E333-K492 PolarHBondContact OE2-NZ 3.12Å; L488-K492 PolarHBondContact O-N 3.31Å; Y489-K492 HydrophobicContact CD1-CD 4.08Å; Y489-K492 HydrophobicContact CE1-CD 4.36Å; Y489-K492 WeakPolarHBondContact O-CB 3.28Å; Y489-K492 PolarHBondContact O-N 2.98Å; K492-F494 PolarHBondContact O-N 3.25Å; K492-T495 PolarHBondContact O-N 2.86Å; K492-Q496 WeakPolarHBondContact O-CG 3.28Å; K492-Q496 PolarHBondContact O-N 2.93Å
493	I	98.9	Very high	98.9	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-61.8	-45.7	-178.4	-68.5	157.2	0	0	0	110.9	Y271 F349 N353 N357 Y489 E490 H491 Q496 G497 T504	Y271-I493 WeakPolarHBondContact OH-CG2 3.28Å; F349-I493 HydrophobicContact CD1-CD1 3.86Å; F349-I493 HydrophobicContact CE1-CD1 4.08Å; N353-I493 HydrophobicContact CB-CD1 3.86Å; N353-I493 HydrophobicContact CB-CG1 3.99Å; N357-I493 PolarHBondContact ND2-O 3.31Å; Y489-I493 WeakPolarHBondContact O-CB 3.5Å; Y489-I493 VanDerWaalsContact O-CD1 3.28Å; Y489-I493 WeakPolarHBondContact O-CD1 3.17Å; Y489-I493 WeakPolarHBondContact O-CG1 3.38Å; Y489-I493 PolarHBondContact O-N 3.28Å; E490-I493 WeakPolarHBondContact O-CB 3.43Å; E490-I493 PolarHBondContact O-N 2.86Å; H491-I493 VanDerWaalsContact C-N 3.35Å; I493-Q496 PolarHBondContact O-N 3.31Å; I493-G497 PolarHBondContact O-N 3.34Å; I493-T504 HydrophobicContact CG2-CG2 3.89Å
494	F	98.9	Very high	98.9	Very high	3 Å²	3	2.5 Å²	2.5	1%	0.013	1%	0.012	C	C	.	.	H	α-helix	trans	-58.1	-48.9	174.9	168.2	-97.6	0	0	0	111.6	L75 A78 I79 M82 I88 F304 E490 K492 Q496 G497 V498 F505	L75-F494 HydrophobicContact CD1-CE1 4.28Å; A78-F494 HydrophobicContact CB-CZ 3.98Å; I79-F494 HydrophobicContact CB-CE1 4.48Å; I79-F494 HydrophobicContact CG1-CE1 3.69Å; I79-F494 HydrophobicContact CG1-CZ 4.49Å; M82-F494 HydrophobicContact CB-CE2 4.15Å; M82-F494 HydrophobicContact CB-CZ 4.24Å; M82-F494 HydrophobicContact SD-CD2 3.67Å; M82-F494 HydrophobicContact SD-CE2 3.73Å; M82-F494 HydrophobicContact SD-CG 4.08Å; M82-F494 HydrophobicContact SD-CZ 4.24Å; I88-F494 HydrophobicContact CD1-CE2 4.07Å; F304-F494 AromaticContact CE1-CD1 3.8Å; F304-F494 HydrophobicContact CE1-CD1 3.8Å; F304-F494 HydrophobicContact CE1-CE1 4.05Å; F304-F494 AromaticContact CZ-CD1 3.57Å; F304-F494 HydrophobicContact CZ-CD1 3.57Å; F304-F494 AromaticContact CZ-CE1 3.89Å; F304-F494 HydrophobicContact CZ-CE1 3.89Å; E490-F494 PolarHBondContact O-N 2.97Å; K492-F494 PolarHBondContact O-N 3.25Å; F494-Q496 VanDerWaalsContact C-N 3.33Å; F494-Q496 PolarHBondContact O-N 3.3Å; F494-G497 PolarHBondContact O-N 3.17Å; F494-V498 HydrophobicContact CD1-CG2 4.26Å; F494-V498 HydrophobicContact CD2-CG2 4.15Å; F494-V498 HydrophobicContact CE1-CG2 3.77Å; F494-V498 HydrophobicContact CE2-CG2 3.69Å; F494-V498 HydrophobicContact CG-CG2 4.45Å; F494-V498 HydrophobicContact CZ-CG2 3.49Å; F494-V498 VanDerWaalsContact CZ-CG2 3.49Å; F494-V498 WeakPolarHBondContact O-CG2 3.2Å; F494-V498 PolarHBondContact O-N 3.42Å; F494-F505 HydrophobicContact CB-CZ 4.43Å; F494-F505 AromaticContact CD2-CE2 3.76Å; F494-F505 HydrophobicContact CD2-CE2 3.76Å; F494-F505 AromaticContact CD2-CZ 3.67Å; F494-F505 HydrophobicContact CD2-CZ 3.67Å; F494-F505 HydrophobicContact CE2-CE2 4.23Å; F494-F505 HydrophobicContact CE2-CZ 4.49Å
495	T	98.9	Very high	98.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60	-43.9	-178.7	-61.6	0	0	0	0	111.4	L75 F304 V315 A318 H491 K492 V498 I499	L75-T495 HydrophobicContact CD1-CG2 3.9Å; L75-T495 HydrophobicContact CD2-CG2 3.59Å; L75-T495 HydrophobicContact CG-CG2 4.41Å; F304-T495 WeakPolarHBondContact CE2-OG1 3.48Å; V315-T495 HydrophobicContact CG1-CG2 4.45Å; V315-T495 HydrophobicContact CG2-CG2 4.45Å; A318-T495 HydrophobicContact CB-CG2 3.49Å; A318-T495 VanDerWaalsContact CB-CG2 3.49Å; H491-T495 WeakPolarHBondContact O-CB 3.48Å; H491-T495 PolarHBondContact O-N 3.37Å; H491-T495 PolarHBondContact O-OG1 2.68Å; K492-T495 PolarHBondContact O-N 2.86Å; T495-V498 PolarHBondContact O-N 3.09Å; T495-I499 HydrophobicContact CG2-CD1 3.92Å; T495-I499 WeakPolarHBondContact O-CG1 3.45Å; T495-I499 PolarHBondContact O-N 3.23Å; T495-I499 VanDerWaalsContact O-N 3.12Å
496	Q	98.9	Very high	98.9	Very high	5 Å²	5	3.7 Å²	3.7	2%	0.023	2%	0.017	C	C	.	.	H	α-helix	trans	-59.8	-46.9	175.4	-70.9	-179.1	-32.6	0	0	112	A318 I322 K492 I493 F494 V498 I499 L500	A318-Q496 HydrophobicContact CB-CG 3.77Å; A318-Q496 PolarHBondContact O-NE2 3.06Å; I322-Q496 HydrophobicContact CD1-CG 4.37Å; I322-Q496 HydrophobicContact CG1-CG 4.22Å; K492-Q496 WeakPolarHBondContact O-CG 3.28Å; K492-Q496 PolarHBondContact O-N 2.93Å; I493-Q496 PolarHBondContact O-N 3.31Å; F494-Q496 VanDerWaalsContact C-N 3.33Å; F494-Q496 PolarHBondContact O-N 3.3Å; Q496-V498 VanDerWaalsContact C-N 3.34Å; Q496-V498 PolarHBondContact O-N 2.77Å; Q496-I499 PolarHBondContact O-N 3.08Å; Q496-L500 HydrophobicContact CB-CD1 4.45Å; Q496-L500 VanDerWaalsContact O-CB 3.28Å; Q496-L500 WeakPolarHBondContact O-CB 3.39Å; Q496-L500 VanDerWaalsContact O-CG 3.28Å; Q496-L500 WeakPolarHBondContact O-CG 3.36Å; Q496-L500 PolarHBondContact O-N 2.85Å
497	G	98.9	Very high	98.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66.5	-32.9	180	0	0	0	0	0	114	R363 I493 F494 N501 I502 T504	R363-G497 PolarHBondContact NH1-O 3.12Å; I493-G497 PolarHBondContact O-N 3.34Å; F494-G497 PolarHBondContact O-N 3.17Å; G497-N501 PolarHBondContact O-N 2.87Å; G497-I502 PolarHBondContact O-N 3.37Å; G497-I502 VanDerWaalsContact O-N 3.09Å; G497-T504 WeakPolarHBondContact CA-OG1 3.28Å
498	V	98.9	Very high	98.8	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.018	5%	0.051	C	C	.	.	H	α-helix	trans	-61.2	-54	171.9	171.9	0	0	0	0	110.5	M1 L75 A78 R363 F494 T495 Q496 N501	M1-V498 HydrophobicContact CE-CG1 4.44Å; M1-V498 HydrophobicContact CE-CG2 4.04Å; L75-V498 HydrophobicContact CD1-CB 4.04Å; L75-V498 HydrophobicContact CD1-CG1 3.95Å; L75-V498 HydrophobicContact CD1-CG2 4.31Å; A78-V498 HydrophobicContact CB-CB 4.32Å; A78-V498 HydrophobicContact CB-CG1 3.63Å; A78-V498 HydrophobicContact CB-CG2 3.62Å; R363-V498 PolarHBondContact NH1-O 2.92Å; R363-V498 PolarHBondContact NH2-O 3.19Å; F494-V498 HydrophobicContact CD1-CG2 4.26Å; F494-V498 HydrophobicContact CD2-CG2 4.15Å; F494-V498 HydrophobicContact CE1-CG2 3.77Å; F494-V498 HydrophobicContact CE2-CG2 3.69Å; F494-V498 HydrophobicContact CG-CG2 4.45Å; F494-V498 HydrophobicContact CZ-CG2 3.49Å; F494-V498 VanDerWaalsContact CZ-CG2 3.49Å; F494-V498 WeakPolarHBondContact O-CG2 3.2Å; F494-V498 PolarHBondContact O-N 3.42Å; T495-V498 PolarHBondContact O-N 3.09Å; Q496-V498 VanDerWaalsContact C-N 3.34Å; Q496-V498 PolarHBondContact O-N 2.77Å; V498-N501 PolarHBondContact O-N 3.29Å
499	I	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-44.1	-177	-65.4	168.2	0	0	0	110.8	P6 L69 A70 C73 L319 I322 T495 Q496 N501	P6-I499 WeakPolarHBondContact CB-O 3.41Å; P6-I499 WeakPolarHBondContact CG-O 3.45Å; L69-I499 HydrophobicContact CD1-CG2 4.47Å; L69-I499 HydrophobicContact CD2-CG2 3.79Å; L69-I499 HydrophobicContact CG-CG2 3.9Å; A70-I499 HydrophobicContact CB-CD1 4.13Å; C73-I499 HydrophobicContact CB-CG1 4.42Å; L319-I499 HydrophobicContact CD2-CD1 3.65Å; I322-I499 HydrophobicContact CD1-CB 3.84Å; I322-I499 HydrophobicContact CD1-CD1 3.68Å; I322-I499 HydrophobicContact CD1-CG1 4.36Å; I322-I499 HydrophobicContact CD1-CG2 3.73Å; T495-I499 HydrophobicContact CG2-CD1 3.92Å; T495-I499 WeakPolarHBondContact O-CG1 3.45Å; T495-I499 PolarHBondContact O-N 3.23Å; T495-I499 VanDerWaalsContact O-N 3.12Å; Q496-I499 PolarHBondContact O-N 3.08Å; I499-N501 PolarHBondContact O-N 2.98Å
500	L	98.9	Very high	98.5	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	15.8	-179.3	-61.2	170.1	0	0	0	113.2	I322 Y370 Q496 I502	I322-L500 HydrophobicContact CG1-CD1 4.46Å; Y370-L500 HydrophobicContact CD2-CD2 4.33Å; Y370-L500 HydrophobicContact CE2-CB 4.37Å; Y370-L500 HydrophobicContact CE2-CD2 4.44Å; Y370-L500 WeakPolarHBondContact CE2-O 3.42Å; Y370-L500 PolarHBondContact OH-O 3.05Å; Q496-L500 HydrophobicContact CB-CD1 4.45Å; Q496-L500 VanDerWaalsContact O-CB 3.28Å; Q496-L500 WeakPolarHBondContact O-CB 3.39Å; Q496-L500 VanDerWaalsContact O-CG 3.28Å; Q496-L500 WeakPolarHBondContact O-CG 3.36Å; Q496-L500 PolarHBondContact O-N 2.85Å; L500-I502 VanDerWaalsContact C-N 3.29Å; L500-I502 WeakPolarHBondContact O-CG2 3.48Å; L500-I502 PolarHBondContact O-N 2.87Å; L500-I502 VanDerWaalsContact O-N 3.12Å
501	N	98.9	Very high	98.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	34.5	174.3	-159	27.1	0	0	0	116.4	N3 I4 D362 R363 N364 G497 V498 I499	N3-N501 WeakPolarHBondContact CA-OD1 3.43Å; N3-N501 PolarHBondContact O-ND2 3.01Å; I4-N501 VanDerWaalsContact O-CB 3.28Å; I4-N501 WeakPolarHBondContact O-CB 3.32Å; I4-N501 VanDerWaalsContact O-CG 3.29Å; D362-N501 CarbonylContact C-O 3.55Å; D362-N501 WeakPolarHBondContact CA-O 3.1Å; D362-N501 HydrophobicContact CB-CB 4.34Å; D362-N501 VanDerWaalsContact CB-O 3.32Å; D362-N501 WeakPolarHBondContact CB-O 3.38Å; D362-N501 PolarHBondContact OD2-ND2 2.98Å; D362-N501 VanDerWaalsContact OD2-ND2 3.08Å; R363-N501 WeakPolarHBondContact CG-O 3.43Å; R363-N501 PolarHBondContact N-O 3.07Å; R363-N501 PolarHBondContact NE-OD1 2.84Å; R363-N501 VanDerWaalsContact NH1-C 3.25Å; R363-N501 VanDerWaalsContact NH1-CA 3.25Å; R363-N501 PolarHBondContact NH2-OD1 3.48Å; N364-N501 PolarHBondContact ND2-ND2 2.81Å; G497-N501 PolarHBondContact O-N 2.87Å; V498-N501 PolarHBondContact O-N 3.29Å; I499-N501 PolarHBondContact O-N 2.98Å
502	I	98.9	Very high	98.1	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.015	15%	0.152	C	C	.	.			trans	-113.2	171.2	-179.5	55.2	174.4	0	0	0	112.9	N357 K359 R363 T372 G497 L500	N357-I502 HydrophobicContact CB-CD1 3.87Å; N357-I502 WeakPolarHBondContact O-CD1 3.29Å; K359-I502 HydrophobicContact CB-CB 4.18Å; K359-I502 HydrophobicContact CB-CD1 4.16Å; K359-I502 HydrophobicContact CB-CG2 4.06Å; K359-I502 HydrophobicContact CG-CD1 4.28Å; R363-I502 WeakPolarHBondContact CG-O 3.45Å; R363-I502 VanDerWaalsContact NH1-N 3.13Å; R363-I502 PolarHBondContact NH1-O 3.49Å; T372-I502 HydrophobicContact CG2-CG2 4.1Å; G497-I502 PolarHBondContact O-N 3.37Å; G497-I502 VanDerWaalsContact O-N 3.09Å; L500-I502 VanDerWaalsContact C-N 3.29Å; L500-I502 WeakPolarHBondContact O-CG2 3.48Å; L500-I502 PolarHBondContact O-N 2.87Å; L500-I502 VanDerWaalsContact O-N 3.12Å
503	F	98.9	Very high	98	Very high	25 Å²	25	29.8 Å²	29.8	11%	0.11	18%	0.176	C	C	.	.			trans	-93.6	104.3	168.1	-69.2	-61.5	0	0	0	111	R90 T91 K359 R363 F505	R90-F503 HydrophobicContact CB-CE1 3.71Å; R90-F503 HydrophobicContact CB-CZ 3.67Å; R90-F503 HydrophobicContact CG-CE1 3.89Å; R90-F503 HydrophobicContact CG-CZ 4.15Å; T91-F503 HydrophobicContact CG2-CD2 3.56Å; T91-F503 HydrophobicContact CG2-CE2 3.73Å; T91-F503 HydrophobicContact CG2-CG 4.26Å; K359-F503 PolarHBondContact NZ-O 3.15Å; R363-F503 HydrophobicContact CB-CE1 4.14Å; R363-F503 HydrophobicContact CB-CE2 4.05Å; R363-F503 HydrophobicContact CB-CZ 3.74Å; R363-F503 HydrophobicContact CG-CD1 3.84Å; R363-F503 HydrophobicContact CG-CD2 4.17Å; R363-F503 HydrophobicContact CG-CE1 3.62Å; R363-F503 HydrophobicContact CG-CE2 3.99Å; R363-F503 HydrophobicContact CG-CG 4.1Å; R363-F503 HydrophobicContact CG-CZ 3.69Å; F503-F505 VanDerWaalsContact C-N 3.28Å; F503-F505 PolarHBondContact O-N 2.98Å
504	T	98.9	Very high	97.7	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.7	-179.2	-62.6	0	0	0	0	113.8	R270 S356 N357 I493 G497	R270-T504 PolarHBondContact NH2-O 3.41Å; S356-T504 WeakPolarHBondContact CA-O 3.28Å; S356-T504 VanDerWaalsContact CB-O 3.25Å; S356-T504 WeakPolarHBondContact CB-O 3.27Å; S356-T504 WeakPolarHBondContact O-CA 3.5Å; S356-T504 PolarHBondContact OG-O 3.16Å; N357-T504 WeakPolarHBondContact OD1-CG2 3.44Å; N357-T504 PolarHBondContact OD1-OG1 2.89Å; I493-T504 HydrophobicContact CG2-CG2 3.89Å; G497-T504 WeakPolarHBondContact CA-OG1 3.28Å
505	F	98.7	Very high	97.5	Very high	16 Å²	16	39.7 Å²	39.7	7%	0.07	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-0.3	-161.5	-58.1	-67.7	0	0	0	115.8	M82 I88 N89 V96 H98 Y271 F494 F503	M82-F505 HydrophobicContact SD-CZ 4.31Å; I88-F505 HydrophobicContact CD1-CD2 4.09Å; I88-F505 HydrophobicContact CD1-CE2 3.7Å; I88-F505 HydrophobicContact CG1-CD2 4.38Å; I88-F505 HydrophobicContact CG1-CE2 4.48Å; N89-F505 HydrophobicContact CB-CB 4.17Å; N89-F505 PolarHBondContact ND2-O 3.03Å; V96-F505 HydrophobicContact CB-CD2 4.17Å; V96-F505 HydrophobicContact CB-CE2 4.35Å; V96-F505 HydrophobicContact CB-CG 4.24Å; V96-F505 HydrophobicContact CG1-CB 4.42Å; V96-F505 HydrophobicContact CG1-CD1 3.48Å; V96-F505 VanDerWaalsContact CG1-CD1 3.48Å; V96-F505 HydrophobicContact CG1-CD2 3.81Å; V96-F505 HydrophobicContact CG1-CE1 3.51Å; V96-F505 HydrophobicContact CG1-CE2 3.81Å; V96-F505 HydrophobicContact CG1-CG 3.62Å; V96-F505 HydrophobicContact CG1-CZ 3.65Å; V96-F505 HydrophobicContact CG2-CB 3.75Å; V96-F505 HydrophobicContact CG2-CD1 4.34Å; V96-F505 HydrophobicContact CG2-CD2 3.61Å; V96-F505 HydrophobicContact CG2-CE2 4.26Å; V96-F505 HydrophobicContact CG2-CG 3.63Å; H98-F505 AromaticContact CE1-CE1 3.92Å; Y271-F505 HydrophobicContact CD2-CD1 4.28Å; Y271-F505 HydrophobicContact CD2-CE1 4.43Å; Y271-F505 AromaticContact CE2-CD1 3.74Å; Y271-F505 HydrophobicContact CE2-CD1 3.74Å; Y271-F505 AromaticContact CE2-CE1 3.79Å; Y271-F505 HydrophobicContact CE2-CE1 3.79Å; Y271-F505 AromaticContact CZ-CE1 3.88Å; F494-F505 HydrophobicContact CB-CZ 4.43Å; F494-F505 AromaticContact CD2-CE2 3.76Å; F494-F505 HydrophobicContact CD2-CE2 3.76Å; F494-F505 AromaticContact CD2-CZ 3.67Å; F494-F505 HydrophobicContact CD2-CZ 3.67Å; F494-F505 HydrophobicContact CE2-CE2 4.23Å; F494-F505 HydrophobicContact CE2-CZ 4.49Å; F503-F505 VanDerWaalsContact C-N 3.28Å; F503-F505 PolarHBondContact O-N 2.98Å
506	D	98.1	Very high	97.5	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.048	24%	0.238	C	C	.	.			trans	-99.4	177.9	168.8	66.2	25.3	0	0	0	111.7	T91 R270 K359	T91-D506 WeakPolarHBondContact CB-OD2 3.44Å; T91-D506 VanDerWaalsContact CG2-OD2 3.31Å; T91-D506 WeakPolarHBondContact CG2-OD2 3.33Å; T91-D506 WeakPolarHBondContact OG1-CB 3.48Å; T91-D506 PolarHBondContact OG1-OD2 3.24Å; R270-D506 PolarHBondContact NH2-O 2.99Å; K359-D506 PolarHBondContact NZ-O 3.44Å; K359-D506 IonicContact NZ-OD1 3.79Å; K359-D506 PolarHBondContact NZ-OD1 2.83Å
507	Q	97.5	Very high	97.4	Very high	52 Å²	52	45.1 Å²	45.1	24%	0.243	26%	0.255	C	S	.	.			trans	-154.6	45.6	178.9	59.1	-77.9	-40	0	0	113.5	E355 G509 V510	E355-Q507 HydrophobicContact CG-CB 4Å; Q507-G509 PolarHBondContact O-N 2.82Å; Q507-V510 HydrophobicContact CB-CG1 4.48Å; Q507-V510 HydrophobicContact CG-CG2 4.22Å; Q507-V510 WeakPolarHBondContact O-CG2 3.49Å; Q507-V510 PolarHBondContact O-N 3.1Å; Q507-V510 VanDerWaalsContact O-N 3.13Å
508	W	98.1	Very high	97.2	Very high	120 Å²	120	49.6 Å²	49.6	46%	0.455	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24	-176.9	-64.4	104.1	0	0	0	114.9	T91 E92 V510 E511	T91-W508 VanDerWaalsContact CB-NE1 3.35Å; T91-W508 PolarHBondContact OG1-NE1 3.47Å; E92-W508 HydrophobicContact CG-CZ2 3.96Å; W508-V510 PolarHBondContact O-N 2.84Å; W508-V510 VanDerWaalsContact O-N 3.1Å; W508-E511 HydrophobicContact CE3-CG 4.5Å; W508-E511 WeakPolarHBondContact CZ3-OE1 3.33Å; W508-E511 PolarHBondContact O-N 2.98Å
509	G	97.7	Very high	97.1	Very high	78 Å²	78	57 Å²	57	80%	0.804	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-60.8	-16.5	177.1	0	0	0	0	0	115.4	Q507	Q507-G509 PolarHBondContact O-N 2.82Å
510	V	94.4	Very high	97.1	Very high	57 Å²	57	59.1 Å²	59.1	35%	0.345	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-83.3	-9.8	-179.9	-55.4	0	0	0	0	114.2	Q507 W508 K514	Q507-V510 HydrophobicContact CB-CG1 4.48Å; Q507-V510 HydrophobicContact CG-CG2 4.22Å; Q507-V510 WeakPolarHBondContact O-CG2 3.49Å; Q507-V510 PolarHBondContact O-N 3.1Å; Q507-V510 VanDerWaalsContact O-N 3.13Å; W508-V510 PolarHBondContact O-N 2.84Å; W508-V510 VanDerWaalsContact O-N 3.1Å; V510-K514 WeakPolarHBondContact O-CG 3.29Å
511	E	93.6	Very high	97.1	Very high	84 Å²	84	62.6 Å²	62.6	39%	0.393	34%	0.336	S	S	.	.	H	α-helix	trans	-77.5	-41.2	-169.2	-64.5	-164.6	159	0	0	113.7	W508 G513 K514 Q515	W508-E511 HydrophobicContact CE3-CG 4.5Å; W508-E511 WeakPolarHBondContact CZ3-OE1 3.33Å; W508-E511 PolarHBondContact O-N 2.98Å; E511-G513 PolarHBondContact O-N 3.23Å; E511-K514 PolarHBondContact O-N 3.43Å; E511-Q515 WeakPolarHBondContact O-CG 3.19Å; E511-Q515 PolarHBondContact O-N 2.87Å
512	L	95.9	Very high	97	Very high	114 Å²	114	66.5 Å²	66.5	60%	0.597	36%	0.361	S	S	*	.	H	α-helix	trans	-60.1	-48	-174.5	178.9	60.6	0	0	0	111.5	K514 Q515 L516	L512-K514 VanDerWaalsContact C-N 3.32Å; L512-K514 PolarHBondContact O-N 3.41Å; L512-Q515 PolarHBondContact O-N 3.42Å; L512-L516 HydrophobicContact CD1-CD1 4.04Å; L512-L516 HydrophobicContact CD1-CG 4.09Å; L512-L516 HydrophobicContact CG-CD1 4.04Å; L512-L516 HydrophobicContact CG-CG 4.46Å; L512-L516 WeakPolarHBondContact O-CG 3.4Å; L512-L516 PolarHBondContact O-N 3.1Å
513	G	96.4	Very high	97	Very high	49 Å²	49	68.3 Å²	68.3	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-58	-43.7	177.8	0	0	0	0	0	112.3	E511 L516 A517	E511-G513 PolarHBondContact O-N 3.23Å; G513-L516 PolarHBondContact O-N 3.03Å; G513-A517 WeakPolarHBondContact O-CB 3.47Å; G513-A517 PolarHBondContact O-N 3.27Å
514	K	93	Very high	97	Very high	115 Å²	115	69.3 Å²	69.3	50%	0.5	38%	0.375	S	S	.	.	H	α-helix	trans	-63.3	-44.2	176.9	-69.3	175.5	-178.7	176.2	0	112.1	V510 E511 L512 A517 N518	V510-K514 WeakPolarHBondContact O-CG 3.29Å; E511-K514 PolarHBondContact O-N 3.43Å; L512-K514 VanDerWaalsContact C-N 3.32Å; L512-K514 PolarHBondContact O-N 3.41Å; K514-A517 PolarHBondContact O-N 2.91Å; K514-N518 WeakPolarHBondContact O-CB 3.28Å; K514-N518 PolarHBondContact O-N 3.09Å; K514-N518 PolarHBondContact O-ND2 3.42Å
515	Q	95.4	Very high	96.9	Very high	95 Å²	95	76.9 Å²	76.9	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-43	178.8	-70	177.2	15.4	0	0	112	E511 L512 N518 R519	E511-Q515 WeakPolarHBondContact O-CG 3.19Å; E511-Q515 PolarHBondContact O-N 2.87Å; L512-Q515 PolarHBondContact O-N 3.42Å; Q515-N518 PolarHBondContact O-N 3.33Å; Q515-R519 PolarHBondContact O-N 3.21Å
516	L	98	Very high	96.8	Very high	74 Å²	74	79 Å²	79	39%	0.387	42%	0.42	S	S	.	.	H	α-helix	trans	-65.9	-44.5	177.1	-66.6	176.6	0	0	0	111.5	L512 G513 N518 R519 I520	L512-L516 HydrophobicContact CD1-CD1 4.04Å; L512-L516 HydrophobicContact CD1-CG 4.09Å; L512-L516 HydrophobicContact CG-CD1 4.04Å; L512-L516 HydrophobicContact CG-CG 4.46Å; L512-L516 WeakPolarHBondContact O-CG 3.4Å; L512-L516 PolarHBondContact O-N 3.1Å; G513-L516 PolarHBondContact O-N 3.03Å; L516-N518 VanDerWaalsContact C-N 3.31Å; L516-N518 PolarHBondContact O-N 3.04Å; L516-R519 PolarHBondContact O-N 3.4Å; L516-R519 VanDerWaalsContact O-N 3.1Å; L516-I520 WeakPolarHBondContact O-CG1 3.31Å; L516-I520 PolarHBondContact O-N 3.11Å
517	A	97.1	Very high	96.8	Very high	45 Å²	45	85.1 Å²	85.1	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-59.3	-40.9	176.4	0	0	0	0	0	112.3	G513 K514 R519 I520 L521	G513-A517 WeakPolarHBondContact O-CB 3.47Å; G513-A517 PolarHBondContact O-N 3.27Å; K514-A517 PolarHBondContact O-N 2.91Å; A517-R519 VanDerWaalsContact C-N 3.27Å; A517-R519 PolarHBondContact O-N 3.2Å; A517-I520 PolarHBondContact O-N 3.37Å; A517-L521 WeakPolarHBondContact O-CB 3.38Å; A517-L521 PolarHBondContact O-N 3.28Å
518	N	95.3	Very high	96.8	Very high	94 Å²	94	89.6 Å²	89.6	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-63.4	-31.4	176.5	-73.3	-19	0	0	0	113.1	Q213 K514 Q515 L516 P522	Q213-N518 PolarHBondContact NE2-OD1 3.45Å; K514-N518 WeakPolarHBondContact O-CB 3.28Å; K514-N518 PolarHBondContact O-N 3.09Å; K514-N518 PolarHBondContact O-ND2 3.42Å; Q515-N518 PolarHBondContact O-N 3.33Å; L516-N518 VanDerWaalsContact C-N 3.31Å; L516-N518 PolarHBondContact O-N 3.04Å; N518-P522 WeakPolarHBondContact O-CD 3.48Å
519	R	97.3	Very high	96.8	Very high	160 Å²	160	91.6 Å²	91.6	60%	0.604	49%	0.486	S	S	*	.	H	α-helix	trans	-75.4	-39	174.6	-67	179	-169.8	172.2	4.8	112.1	Q515 L516 A517 P522	Q515-R519 PolarHBondContact O-N 3.21Å; L516-R519 PolarHBondContact O-N 3.4Å; L516-R519 VanDerWaalsContact O-N 3.1Å; A517-R519 VanDerWaalsContact C-N 3.27Å; A517-R519 PolarHBondContact O-N 3.2Å; R519-P522 WeakPolarHBondContact O-CD 3.36Å
520	I	98.5	Very high	96.9	Very high	44 Å²	44	88.6 Å²	88.6	23%	0.226	45%	0.451	C	S	.	.	H	α-helix	trans	-73.1	-39	-178.2	-69.2	168.7	0	0	0	111.4	L516 A517 E523 L524 T537 I541	L516-I520 WeakPolarHBondContact O-CG1 3.31Å; L516-I520 PolarHBondContact O-N 3.11Å; A517-I520 PolarHBondContact O-N 3.37Å; I520-E523 WeakPolarHBondContact O-CA 3.41Å; I520-E523 VanDerWaalsContact O-CB 3.3Å; I520-E523 WeakPolarHBondContact O-CB 3.43Å; I520-E523 PolarHBondContact O-N 3.12Å; I520-L524 HydrophobicContact CG2-CD1 4.18Å; I520-L524 HydrophobicContact CG2-CD2 4.07Å; I520-L524 HydrophobicContact CG2-CG 4.06Å; I520-L524 WeakPolarHBondContact O-CG 3.49Å; I520-L524 PolarHBondContact O-N 3.48Å; I520-T537 HydrophobicContact CD1-CG2 4.38Å; I520-I541 HydrophobicContact CG1-CD1 4.49Å; I520-I541 HydrophobicContact CG2-CD1 4.03Å
521	L	98.1	Very high	97.1	Very high	76 Å²	76	90.8 Å²	90.8	40%	0.398	47%	0.469	S	S	.	.	H	α-helix	trans	-53.8	-44.5	-172.5	178.7	67.4	0	0	0	114.7	A517 E523 L524	A517-L521 WeakPolarHBondContact O-CB 3.38Å; A517-L521 PolarHBondContact O-N 3.28Å; L521-E523 VanDerWaalsContact C-N 3.33Å; L521-E523 PolarHBondContact O-N 3.3Å; L521-L524 PolarHBondContact O-N 2.9Å
522	P	98.1	Very high	97.3	Very high	81 Å²	81	90.2 Å²	90.2	53%	0.526	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-35.3	174.2	-22.9	34	0	0	0	113.7	N518 R519 L524 K525	N518-P522 WeakPolarHBondContact O-CD 3.48Å; R519-P522 WeakPolarHBondContact O-CD 3.36Å; P522-L524 PolarHBondContact O-N 3.09Å; P522-K525 WeakPolarHBondContact O-CB 3.36Å; P522-K525 PolarHBondContact O-N 3.17Å; P522-K525 VanDerWaalsContact O-N 3.1Å
523	E	98.3	Very high	97.4	Very high	41 Å²	41	87.3 Å²	87.3	19%	0.192	46%	0.458	C	S	.	.	H	α-helix	trans	-66.8	-20.3	-179.9	-59.7	175.1	151.3	0	0	112	I520 L521 K525 I530 S532 H533 K545	I520-E523 WeakPolarHBondContact O-CA 3.41Å; I520-E523 VanDerWaalsContact O-CB 3.3Å; I520-E523 WeakPolarHBondContact O-CB 3.43Å; I520-E523 PolarHBondContact O-N 3.12Å; L521-E523 VanDerWaalsContact C-N 3.33Å; L521-E523 PolarHBondContact O-N 3.3Å; E523-K525 VanDerWaalsContact C-N 3.3Å; E523-I530 HydrophobicContact CB-CD1 3.81Å; E523-I530 HydrophobicContact CB-CG1 4.31Å; E523-I530 HydrophobicContact CG-CD1 4.35Å; E523-S532 PolarHBondContact OE1-OG 2.91Å; E523-H533 IonicContact OE1-CE1 3.28Å; E523-H533 IonicContact OE1-NE2 3.67Å; E523-H533 PolarHBondContact OE1-NE2 3.28Å; E523-H533 IonicContact OE2-CD2 2.8Å; E523-H533 IonicContact OE2-CE1 2.81Å; E523-H533 IonicContact OE2-NE2 3.59Å; E523-H533 PolarHBondContact OE2-NE2 3.33Å; E523-K545 WeakPolarHBondContact O-CE 3.35Å; E523-K545 PolarHBondContact O-NZ 3.21Å
524	L	98.4	Very high	97.5	Very high	46 Å²	46	89.1 Å²	89.1	24%	0.241	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-4.8	176.1	-53.8	-175.4	0	0	0	113.2	I520 L521 P522 I541 Y544 R548	I520-L524 HydrophobicContact CG2-CD1 4.18Å; I520-L524 HydrophobicContact CG2-CD2 4.07Å; I520-L524 HydrophobicContact CG2-CG 4.06Å; I520-L524 WeakPolarHBondContact O-CG 3.49Å; I520-L524 PolarHBondContact O-N 3.48Å; L521-L524 PolarHBondContact O-N 2.9Å; P522-L524 PolarHBondContact O-N 3.09Å; L524-I541 HydrophobicContact CD2-CG1 4.32Å; L524-I541 HydrophobicContact CD2-CG2 3.75Å; L524-Y544 HydrophobicContact CB-CE1 4.37Å; L524-Y544 HydrophobicContact CD2-CD1 4.16Å; L524-Y544 HydrophobicContact CD2-CE1 4.09Å; L524-R548 PolarHBondContact O-NH1 3.1Å
525	K	97.5	Very high	97.8	Very high	165 Å²	165	89 Å²	89	72%	0.717	47%	0.469	S	S	*	.	S	Bend	trans	-82.4	-39.2	-175	-63.5	-62.5	-175.9	-177.4	0	114	P522 E523	P522-K525 WeakPolarHBondContact O-CB 3.36Å; P522-K525 PolarHBondContact O-N 3.17Å; P522-K525 VanDerWaalsContact O-N 3.1Å; E523-K525 VanDerWaalsContact C-N 3.3Å
526	D	96.8	Very high	97.9	Very high	61 Å²	61	87.9 Å²	87.9	33%	0.326	47%	0.472	S	S	.	.	S	Bend	trans	-99.1	175.5	-179.1	71.1	27.8	0	0	0	112.5	K528 K545 R548	D526-K528 WeakPolarHBondContact OD1-CB 3.47Å; D526-K528 PolarHBondContact OD1-N 2.94Å; D526-K528 WeakPolarHBondContact OD2-CD 3.38Å; D526-K528 IonicContact OD2-NZ 2.55Å; D526-K545 VanDerWaalsContact O-CE 3.31Å; D526-K545 WeakPolarHBondContact O-CE 3.37Å; D526-K545 PolarHBondContact O-NZ 3.28Å; D526-K545 IonicContact OD1-NZ 3.37Å; D526-K545 PolarHBondContact OD1-NZ 3.29Å; D526-K545 VanDerWaalsContact OD1-NZ 3.14Å; D526-R548 PolarHBondContact O-NH2 3.36Å
527	D	97.3	Very high	98	Very high	136 Å²	136	86.2 Å²	86.2	73%	0.727	47%	0.465	S	S	*	.			trans	-96	11.6	-180	-65.3	-29.1	0	0	0	113.4	R548	D527-R548 IonicContact OD1-CZ 3.84Å; D527-R548 IonicContact OD1-NE 2.67Å; D527-R548 IonicContact OD1-NH2 3.81Å; D527-R548 PolarHBondContact OD1-NH2 3.21Å
528	K	97.8	Very high	98	Very high	146 Å²	146	85 Å²	85	64%	0.635	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-71	141.3	179.8	-63.5	177.3	-172.9	159.3	0	110.4	D526 I530 K545	D526-K528 WeakPolarHBondContact OD1-CB 3.47Å; D526-K528 PolarHBondContact OD1-N 2.94Å; D526-K528 WeakPolarHBondContact OD2-CD 3.38Å; D526-K528 IonicContact OD2-NZ 2.55Å; K528-I530 PolarHBondContact O-N 3.31Å; K528-K545 PolarHBondContact O-NZ 2.95Å
529	E	98.3	Very high	98.2	Very high	162 Å²	162	82.5 Å²	82.5	76%	0.757	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-61.2	132.9	169.4	-168.8	177.7	-176.7	0	0	109.9	N542	E529-N542 WeakPolarHBondContact CG-ND2 3.07Å
530	I	98.6	Very high	98.3	Very high	16 Å²	16	80.4 Å²	80.4	8%	0.082	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-94.9	132.2	179.8	-59.6	-52.8	0	0	0	109.8	E523 K528 S532 I541 N542	E523-I530 HydrophobicContact CB-CD1 3.81Å; E523-I530 HydrophobicContact CB-CG1 4.31Å; E523-I530 HydrophobicContact CG-CD1 4.35Å; K528-I530 PolarHBondContact O-N 3.31Å; I530-S532 WeakPolarHBondContact CG2-OG 3.44Å; I530-I541 HydrophobicContact CB-CG2 4.05Å; I530-I541 HydrophobicContact CG1-CG2 3.63Å; I530-I541 HydrophobicContact CG2-CD1 4.25Å; I530-N542 WeakPolarHBondContact CB-OD1 3.33Å; I530-N542 PolarHBondContact N-OD1 2.8Å; I530-N542 PolarHBondContact O-ND2 2.9Å
531	S	98.4	Very high	98.3	Very high	103 Å²	103	79 Å²	79	72%	0.72	44%	0.441	S	S	*	.			trans	-140.2	16.1	179.2	57.5	0	0	0	0	112.8	N538	S531-N538 WeakPolarHBondContact CA-ND2 3.49Å
532	S	98.3	Very high	98.3	Very high	72 Å²	72	76.9 Å²	76.9	50%	0.503	43%	0.43	S	S	.	.	S	Bend	trans	-83.9	-9.4	-174.8	43.7	0	0	0	0	114.7	E523 I530 N538	E523-S532 PolarHBondContact OE1-OG 2.91Å; I530-S532 WeakPolarHBondContact CG2-OG 3.44Å; S532-N538 PolarHBondContact N-OD1 3.14Å
533	H	98.4	Very high	98.4	Very high	53 Å²	53	79.6 Å²	79.6	25%	0.245	43%	0.43	C	S	.	.	S	Bend	trans	-118.7	-171.4	-175.7	-52.9	-82.7	0	0	0	112.4	E523 T537 N538	E523-H533 IonicContact OE1-CE1 3.28Å; E523-H533 IonicContact OE1-NE2 3.67Å; E523-H533 PolarHBondContact OE1-NE2 3.28Å; E523-H533 IonicContact OE2-CD2 2.8Å; E523-H533 IonicContact OE2-CE1 2.81Å; E523-H533 IonicContact OE2-NE2 3.59Å; E523-H533 PolarHBondContact OE2-NE2 3.33Å; H533-T537 HydrophobicContact CB-CG2 3.69Å; H533-N538 WeakPolarHBondContact CA-OD1 3.42Å; H533-N538 WeakPolarHBondContact CB-OD1 3.08Å; H533-N538 PolarHBondContact N-OD1 3.14Å; H533-N538 PolarHBondContact O-ND2 3.15Å
534	D	98.6	Very high	98.4	Very high	87 Å²	87	83 Å²	83	47%	0.465	44%	0.442	S	S	.	.			trans	-61.8	161.3	166.4	71.3	91.8	0	0	0	111.5	S536 T537 N538	D534-S536 PolarHBondContact O-N 3.23Å; D534-S536 WeakPolarHBondContact OD1-CA 3.13Å; D534-S536 WeakPolarHBondContact OD1-CB 3.47Å; D534-S536 PolarHBondContact OD1-N 3.16Å; D534-T537 PolarHBondContact O-N 2.8Å; D534-T537 PolarHBondContact OD1-N 3.39Å; D534-T537 VanDerWaalsContact OD2-CB 3.27Å; D534-T537 WeakPolarHBondContact OD2-CB 3.1Å; D534-T537 PolarHBondContact OD2-OG1 3.41Å; D534-N538 WeakPolarHBondContact O-CB 3.47Å; D534-N538 VanDerWaalsContact O-CG 3.26Å; D534-N538 PolarHBondContact O-N 2.88Å; D534-N538 PolarHBondContact O-ND2 2.68Å
535	S	98.6	Very high	98.4	Very high	111 Å²	111	81.8 Å²	81.8	78%	0.776	44%	0.435	S	S	*	.	H	α-helix	trans	-61.9	-28.1	-174.5	55.7	0	0	0	0	113.8	G539	S535-G539 PolarHBondContact O-N 3.29Å
536	S	98.8	Very high	98.4	Very high	72 Å²	72	77.3 Å²	77.3	50%	0.503	43%	0.428	S	S	.	.	H	α-helix	trans	-71	-53.4	176.4	-175.2	0	0	0	0	110.3	D534 N538 G539 L540	D534-S536 PolarHBondContact O-N 3.23Å; D534-S536 WeakPolarHBondContact OD1-CA 3.13Å; D534-S536 WeakPolarHBondContact OD1-CB 3.47Å; D534-S536 PolarHBondContact OD1-N 3.16Å; S536-N538 VanDerWaalsContact C-N 3.34Å; S536-N538 PolarHBondContact O-N 3.26Å; S536-G539 PolarHBondContact O-N 3.32Å; S536-L540 WeakPolarHBondContact O-CG 3.01Å; S536-L540 PolarHBondContact O-N 2.92Å
537	T	98.8	Very high	98.5	Very high	39 Å²	39	83.6 Å²	83.6	24%	0.239	45%	0.448	C	S	.	.	H	α-helix	trans	-59.6	-44.5	179.8	-57.7	0	0	0	0	111.6	I520 H533 D534 L540 I541	I520-T537 HydrophobicContact CD1-CG2 4.38Å; H533-T537 HydrophobicContact CB-CG2 3.69Å; D534-T537 PolarHBondContact O-N 2.8Å; D534-T537 PolarHBondContact OD1-N 3.39Å; D534-T537 VanDerWaalsContact OD2-CB 3.27Å; D534-T537 WeakPolarHBondContact OD2-CB 3.1Å; D534-T537 PolarHBondContact OD2-OG1 3.41Å; T537-L540 PolarHBondContact O-N 3.47Å; T537-I541 HydrophobicContact CG2-CD1 3.89Å; T537-I541 WeakPolarHBondContact O-CG1 3.5Å; T537-I541 PolarHBondContact O-N 3.08Å
538	N	98.8	Very high	98.5	Very high	21 Å²	21	81 Å²	81	11%	0.112	43%	0.428	C	S	.	.	H	α-helix	trans	-59.1	-50.5	174.9	-67.6	-23.9	0	0	0	111.5	S531 S532 H533 D534 S536 L540 I541 N542	S531-N538 WeakPolarHBondContact CA-ND2 3.49Å; S532-N538 PolarHBondContact N-OD1 3.14Å; H533-N538 WeakPolarHBondContact CA-OD1 3.42Å; H533-N538 WeakPolarHBondContact CB-OD1 3.08Å; H533-N538 PolarHBondContact N-OD1 3.14Å; H533-N538 PolarHBondContact O-ND2 3.15Å; D534-N538 WeakPolarHBondContact O-CB 3.47Å; D534-N538 VanDerWaalsContact O-CG 3.26Å; D534-N538 PolarHBondContact O-N 2.88Å; D534-N538 PolarHBondContact O-ND2 2.68Å; S536-N538 VanDerWaalsContact C-N 3.34Å; S536-N538 PolarHBondContact O-N 3.26Å; N538-L540 VanDerWaalsContact C-N 3.29Å; N538-L540 PolarHBondContact O-N 3.02Å; N538-I541 PolarHBondContact O-N 3.19Å; N538-N542 WeakPolarHBondContact O-CB 3.26Å; N538-N542 PolarHBondContact O-N 2.69Å; N538-N542 PolarHBondContact O-ND2 3.28Å
539	G	98.8	Very high	98.2	Very high	40 Å²	40	80.2 Å²	80.2	41%	0.412	46%	0.461	S	S	.	.	H	α-helix	trans	-59	-40.1	-179.2	0	0	0	0	0	112.7	S535 S536 R543	S535-G539 PolarHBondContact O-N 3.29Å; S536-G539 PolarHBondContact O-N 3.32Å; G539-R543 VanDerWaalsContact O-CB 3.23Å; G539-R543 WeakPolarHBondContact O-CB 3.32Å; G539-R543 PolarHBondContact O-N 3.39Å
540	L	98.9	Very high	98.2	Very high	117 Å²	117	76.1 Å²	76.1	61%	0.613	45%	0.446	S	S	*	.	H	α-helix	trans	-66.6	-48.6	176.4	-71.1	168.9	0	0	0	112.2	S536 T537 N538 N542 R543 Y544	S536-L540 WeakPolarHBondContact O-CG 3.01Å; S536-L540 PolarHBondContact O-N 2.92Å; T537-L540 PolarHBondContact O-N 3.47Å; N538-L540 VanDerWaalsContact C-N 3.29Å; N538-L540 PolarHBondContact O-N 3.02Å; L540-N542 PolarHBondContact O-N 3.21Å; L540-R543 PolarHBondContact O-N 3.39Å; L540-Y544 PolarHBondContact O-N 2.94Å
541	I	98.8	Very high	98.2	Very high	14 Å²	14	79.3 Å²	79.3	7%	0.072	47%	0.465	C	S	.	.	H	α-helix	trans	-62	-46	179.5	-67.9	169.1	0	0	0	110.5	I520 L524 I530 T537 N538 R543 Y544 K545	I520-I541 HydrophobicContact CG1-CD1 4.49Å; I520-I541 HydrophobicContact CG2-CD1 4.03Å; L524-I541 HydrophobicContact CD2-CG1 4.32Å; L524-I541 HydrophobicContact CD2-CG2 3.75Å; I530-I541 HydrophobicContact CB-CG2 4.05Å; I530-I541 HydrophobicContact CG1-CG2 3.63Å; I530-I541 HydrophobicContact CG2-CD1 4.25Å; T537-I541 HydrophobicContact CG2-CD1 3.89Å; T537-I541 WeakPolarHBondContact O-CG1 3.5Å; T537-I541 PolarHBondContact O-N 3.08Å; N538-I541 PolarHBondContact O-N 3.19Å; I541-R543 VanDerWaalsContact C-N 3.31Å; I541-R543 PolarHBondContact O-N 3.01Å; I541-Y544 WeakPolarHBondContact O-CB 3.46Å; I541-Y544 PolarHBondContact O-N 3.26Å; I541-K545 WeakPolarHBondContact O-CG 3.21Å; I541-K545 PolarHBondContact O-N 3.47Å
542	N	98.8	Very high	98.2	Very high	32 Å²	32	77.9 Å²	77.9	17%	0.171	45%	0.451	C	S	.	.	H	α-helix	trans	-65	-38.2	179.8	-65.2	-23.3	0	0	0	111.2	E529 I530 N538 L540 K545 A546	E529-N542 WeakPolarHBondContact CG-ND2 3.07Å; I530-N542 WeakPolarHBondContact CB-OD1 3.33Å; I530-N542 PolarHBondContact N-OD1 2.8Å; I530-N542 PolarHBondContact O-ND2 2.9Å; N538-N542 WeakPolarHBondContact O-CB 3.26Å; N538-N542 PolarHBondContact O-N 2.69Å; N538-N542 PolarHBondContact O-ND2 3.28Å; L540-N542 PolarHBondContact O-N 3.21Å; N542-K545 PolarHBondContact O-N 2.85Å; N542-A546 PolarHBondContact O-N 3.25Å
543	R	98.8	Very high	98.2	Very high	137 Å²	137	78.3 Å²	78.3	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-63.5	-43.7	173.1	-178.6	58.7	66.4	81.6	2.6	112.1	G539 L540 I541 K545 A546 W547	G539-R543 VanDerWaalsContact O-CB 3.23Å; G539-R543 WeakPolarHBondContact O-CB 3.32Å; G539-R543 PolarHBondContact O-N 3.39Å; L540-R543 PolarHBondContact O-N 3.39Å; I541-R543 VanDerWaalsContact C-N 3.31Å; I541-R543 PolarHBondContact O-N 3.01Å; R543-K545 VanDerWaalsContact C-N 3.35Å; R543-A546 PolarHBondContact O-N 3.27Å; R543-W547 VanDerWaalsContact CD-CE2 3.43Å; R543-W547 HydrophobicContact CG-CD2 4Å; R543-W547 HydrophobicContact CG-CE3 4.04Å; R543-W547 HydrophobicContact CG-CH2 4.25Å; R543-W547 HydrophobicContact CG-CZ2 4.21Å; R543-W547 HydrophobicContact CG-CZ3 4.16Å; R543-W547 PolarHBondContact O-N 2.97Å; R543-W547 VanDerWaalsContact O-N 3.11Å
544	Y	98.7	Very high	98.2	Very high	112 Å²	112	79.9 Å²	79.9	44%	0.439	46%	0.461	S	S	.	.	H	α-helix	trans	-56.9	-48.3	173.9	157.4	-103.9	0	0	0	111.2	L524 L540 I541 A546 W547 R548	L524-Y544 HydrophobicContact CB-CE1 4.37Å; L524-Y544 HydrophobicContact CD2-CD1 4.16Å; L524-Y544 HydrophobicContact CD2-CE1 4.09Å; L540-Y544 PolarHBondContact O-N 2.94Å; I541-Y544 WeakPolarHBondContact O-CB 3.46Å; I541-Y544 PolarHBondContact O-N 3.26Å; Y544-A546 VanDerWaalsContact C-N 3.26Å; Y544-A546 PolarHBondContact O-N 3.39Å; Y544-W547 PolarHBondContact O-N 2.87Å; Y544-R548 HydrophobicContact CD2-CB 4.38Å; Y544-R548 HydrophobicContact CE2-CB 3.95Å; Y544-R548 WeakPolarHBondContact O-CB 3.25Å; Y544-R548 PolarHBondContact O-N 3.38Å
545	K	98.3	Very high	98.2	Very high	21 Å²	21	79.4 Å²	79.4	9%	0.091	46%	0.46	C	S	.	.	H	α-helix	trans	-58.6	-37.7	176.9	-69	-170	-178	-161.7	0	112.3	E523 D526 K528 I541 N542 R543 W547 R548	E523-K545 WeakPolarHBondContact O-CE 3.35Å; E523-K545 PolarHBondContact O-NZ 3.21Å; D526-K545 VanDerWaalsContact O-CE 3.31Å; D526-K545 WeakPolarHBondContact O-CE 3.37Å; D526-K545 PolarHBondContact O-NZ 3.28Å; D526-K545 IonicContact OD1-NZ 3.37Å; D526-K545 PolarHBondContact OD1-NZ 3.29Å; D526-K545 VanDerWaalsContact OD1-NZ 3.14Å; K528-K545 PolarHBondContact O-NZ 2.95Å; I541-K545 WeakPolarHBondContact O-CG 3.21Å; I541-K545 PolarHBondContact O-N 3.47Å; N542-K545 PolarHBondContact O-N 2.85Å; R543-K545 VanDerWaalsContact C-N 3.35Å; K545-W547 VanDerWaalsContact C-N 3.32Å; K545-W547 PolarHBondContact O-N 3.12Å; K545-R548 WeakPolarHBondContact O-CG 3.24Å
546	A	98.3	Very high	98.1	Very high	71 Å²	71	77.1 Å²	77.1	59%	0.587	44%	0.438	S	S	*	.	H	α-helix	trans	-73.3	-18.3	177.1	0	0	0	0	0	114.5	N542 R543 Y544	N542-A546 PolarHBondContact O-N 3.25Å; R543-A546 PolarHBondContact O-N 3.27Å; Y544-A546 VanDerWaalsContact C-N 3.26Å; Y544-A546 PolarHBondContact O-N 3.39Å
547	W	98.5	Very high	98.1	Very high	193 Å²	193	77.5 Å²	77.5	73%	0.731	43%	0.433	S	S	*	.	H	α-helix	trans	-106.3	-13.6	-177	-77.2	-4.9	0	0	0	114.5	R543 Y544 K545 G549	R543-W547 VanDerWaalsContact CD-CE2 3.43Å; R543-W547 HydrophobicContact CG-CD2 4Å; R543-W547 HydrophobicContact CG-CE3 4.04Å; R543-W547 HydrophobicContact CG-CH2 4.25Å; R543-W547 HydrophobicContact CG-CZ2 4.21Å; R543-W547 HydrophobicContact CG-CZ3 4.16Å; R543-W547 PolarHBondContact O-N 2.97Å; R543-W547 VanDerWaalsContact O-N 3.11Å; Y544-W547 PolarHBondContact O-N 2.87Å; K545-W547 VanDerWaalsContact C-N 3.32Å; K545-W547 PolarHBondContact O-N 3.12Å; W547-G549 PolarHBondContact O-N 3.4Å
548	R	96.3	Very high	98	Very high	82 Å²	82	80.8 Å²	80.8	31%	0.309	45%	0.449	S	S	.	.			trans	-76.8	2.8	-170.4	71.4	-177.8	179.2	179.2	-0.7	115.9	L524 D526 D527 Y544 K545	L524-R548 PolarHBondContact O-NH1 3.1Å; D526-R548 PolarHBondContact O-NH2 3.36Å; D527-R548 IonicContact OD1-CZ 3.84Å; D527-R548 IonicContact OD1-NE 2.67Å; D527-R548 IonicContact OD1-NH2 3.81Å; D527-R548 PolarHBondContact OD1-NH2 3.21Å; Y544-R548 HydrophobicContact CD2-CB 4.38Å; Y544-R548 HydrophobicContact CE2-CB 3.95Å; Y544-R548 WeakPolarHBondContact O-CB 3.25Å; Y544-R548 PolarHBondContact O-N 3.38Å; K545-R548 WeakPolarHBondContact O-CG 3.24Å
549	G	93	Very high	97.9	Very high	129 Å²	129	86.2 Å²	86.2	100%	1.33	48%	0.479	S	S	*	.			trans	116.2	0	-176.3	0	0	0	0	0	110.6	W547	W547-G549 PolarHBondContact O-N 3.4Å

Retrieved 549 of 549 residues in 150.7 ms (Link to these results)

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