A0A077ZGB8_TRITR Loading...

Bleomycin hydrolase

The normal physiological role of the enzyme is unknown, but it is not essential for the viability of yeast cells. Has aminopeptidase activity, shortening substrate peptides sequentially by 1 amino acid. Has bleomycin hydrolase activity, which can protect the cell from the toxic effects of bleomycin. Has homocysteine-thiolactonase activity, protecting the cell against homocysteine toxicity. Acts as a repressor in the GAL4 regulatory system, but this does not require either the peptidase or nucleic acid-binding activities.

AlphaFold DB , UniProt , Accession A0A077ZGB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 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	62.4	Low	92.6	Very high	202 Å²	202	121.9 Å²	121.9	100%	0.995	64%	0.639	S	S	*	*				0	126.2	0	-84.5	-178.8	-179.4	0	0	107.5	T5	M1-T5 HydrophobicContact SD-CG2 4.18Å
2	A	89.8	Confident	93	Very high	113 Å²	113	121.2 Å²	121.2	93%	0.934	63%	0.627	S	S	*	*			trans	-84.7	-29.7	176.6	0	0	0	0	0	112.8
3	K	94.6	Very high	93.4	Very high	176 Å²	176	124.4 Å²	124.4	77%	0.765	63%	0.626	S	S	*	*	S	Bend	trans	-102.9	137.5	177.7	-65.1	-175.7	179.1	-177.2	0	110.3
4	I	94.9	Very high	93.7	Very high	151 Å²	151	124.6 Å²	124.6	77%	0.774	62%	0.621	S	S	*	*			trans	-65.4	129.1	166.1	-61.4	172.3	0	0	0	107.7	T9	I4-T9 WeakPolarHBondContact CG2-OG1 3.47Å
5	T	95.8	Very high	94	Very high	38 Å²	38	120.1 Å²	120.1	23%	0.233	61%	0.611	C	S	.	*			trans	-105.9	149	176.9	74.3	0	0	0	0	111	M1 E7 R8 T9	M1-T5 HydrophobicContact SD-CG2 4.18Å; T5-E7 VanDerWaalsContact C-N 3.3Å; T5-E7 PolarHBondContact O-N 3.15Å; T5-E7 PolarHBondContact OG1-OE2 3.45Å; T5-R8 PolarHBondContact O-N 3.32Å; T5-R8 WeakPolarHBondContact OG1-CB 3.44Å; T5-R8 PolarHBondContact OG1-N 2.69Å; T5-T9 PolarHBondContact O-N 3.2Å; T5-T9 PolarHBondContact O-OG1 2.75Å
6	N	96.8	Very high	94.2	Very high	131 Å²	131	117.2 Å²	117.2	70%	0.701	59%	0.593	S	S	*	*	H	α-helix	trans	-60.8	-38.6	177.9	-74	-20.8	0	0	0	112.1	R8 T9 Q10	N6-R8 VanDerWaalsContact C-N 3.29Å; N6-R8 PolarHBondContact O-N 2.9Å; N6-T9 PolarHBondContact O-N 3.41Å; N6-Q10 WeakPolarHBondContact O-CB 3.32Å; N6-Q10 VanDerWaalsContact O-CG 3.28Å; N6-Q10 WeakPolarHBondContact O-CG 3.49Å; N6-Q10 PolarHBondContact O-N 3.29Å
7	E	96.5	Very high	94.4	Very high	143 Å²	143	116.1 Å²	116.1	67%	0.668	59%	0.585	S	S	*	*	H	α-helix	trans	-63.2	-39.3	178.4	-54.2	103.9	175.5	0	0	111.3	T5 Q10 A11	T5-E7 VanDerWaalsContact C-N 3.3Å; T5-E7 PolarHBondContact O-N 3.15Å; T5-E7 PolarHBondContact OG1-OE2 3.45Å; E7-Q10 PolarHBondContact O-N 2.96Å; E7-A11 PolarHBondContact O-N 3.1Å
8	R	95.5	Very high	94.6	Very high	140 Å²	140	117.6 Å²	117.6	53%	0.528	59%	0.59	S	S	.	*	H	α-helix	trans	-68.4	-43.3	179.1	-170.8	60.8	174.7	177.3	3.2	111.3	T5 N6 Q10 A11 F12	T5-R8 PolarHBondContact O-N 3.32Å; T5-R8 WeakPolarHBondContact OG1-CB 3.44Å; T5-R8 PolarHBondContact OG1-N 2.69Å; N6-R8 VanDerWaalsContact C-N 3.29Å; N6-R8 PolarHBondContact O-N 2.9Å; R8-Q10 VanDerWaalsContact C-N 3.33Å; R8-Q10 PolarHBondContact O-N 3.2Å; R8-A11 WeakPolarHBondContact O-CB 3.35Å; R8-A11 PolarHBondContact O-N 3.42Å; R8-F12 HydrophobicContact CG-CD2 4.4Å; R8-F12 HydrophobicContact CG-CE1 4.09Å; R8-F12 HydrophobicContact CG-CE2 3.67Å; R8-F12 HydrophobicContact CG-CZ 3.5Å; R8-F12 WeakPolarHBondContact O-CD2 3.46Å; R8-F12 VanDerWaalsContact O-CG 3.31Å; R8-F12 WeakPolarHBondContact O-CG 3.38Å; R8-F12 PolarHBondContact O-N 3.2Å
9	T	97.1	Very high	94.7	Very high	66 Å²	66	114.2 Å²	114.2	41%	0.405	57%	0.574	S	S	.	*	H	α-helix	trans	-62.5	-39.1	175	-58	0	0	0	0	112.1	I4 T5 N6 A11 F12 R13	I4-T9 WeakPolarHBondContact CG2-OG1 3.47Å; T5-T9 PolarHBondContact O-N 3.2Å; T5-T9 PolarHBondContact O-OG1 2.75Å; N6-T9 PolarHBondContact O-N 3.41Å; T9-A11 VanDerWaalsContact C-N 3.34Å; T9-A11 PolarHBondContact O-N 3.17Å; T9-F12 PolarHBondContact O-N 2.89Å; T9-R13 PolarHBondContact O-N 2.99Å
10	Q	98	Very high	94.8	Very high	132 Å²	132	113.6 Å²	113.6	62%	0.617	58%	0.581	S	S	*	*	H	α-helix	trans	-64.5	-38.5	174.6	-74.6	175.3	4.9	0	0	112.1	N6 E7 R8 R13 K14	N6-Q10 WeakPolarHBondContact O-CB 3.32Å; N6-Q10 VanDerWaalsContact O-CG 3.28Å; N6-Q10 WeakPolarHBondContact O-CG 3.49Å; N6-Q10 PolarHBondContact O-N 3.29Å; E7-Q10 PolarHBondContact O-N 2.96Å; R8-Q10 VanDerWaalsContact C-N 3.33Å; R8-Q10 PolarHBondContact O-N 3.2Å; Q10-R13 PolarHBondContact O-N 3.03Å; Q10-K14 WeakPolarHBondContact O-CB 3.3Å; Q10-K14 PolarHBondContact O-N 2.82Å
11	A	97.6	Very high	94.9	Very high	49 Å²	49	113 Å²	113	41%	0.405	57%	0.574	S	S	.	*	H	α-helix	trans	-62.5	-42.7	173.7	0	0	0	0	0	111.8	E7 R8 T9 K14 A15	E7-A11 PolarHBondContact O-N 3.1Å; R8-A11 WeakPolarHBondContact O-CB 3.35Å; R8-A11 PolarHBondContact O-N 3.42Å; T9-A11 VanDerWaalsContact C-N 3.34Å; T9-A11 PolarHBondContact O-N 3.17Å; A11-K14 PolarHBondContact O-N 3.37Å; A11-A15 PolarHBondContact O-N 3.32Å
12	F	97	Very high	96.5	Very high	113 Å²	113	105.9 Å²	105.9	50%	0.496	54%	0.538	S	S	.	.	H	α-helix	trans	-62.1	-46.7	174.7	-60	-32	0	0	0	112.3	R8 T9 K14 A15 F16	R8-F12 HydrophobicContact CG-CD2 4.4Å; R8-F12 HydrophobicContact CG-CE1 4.09Å; R8-F12 HydrophobicContact CG-CE2 3.67Å; R8-F12 HydrophobicContact CG-CZ 3.5Å; R8-F12 WeakPolarHBondContact O-CD2 3.46Å; R8-F12 VanDerWaalsContact O-CG 3.31Å; R8-F12 WeakPolarHBondContact O-CG 3.38Å; R8-F12 PolarHBondContact O-N 3.2Å; T9-F12 PolarHBondContact O-N 2.89Å; F12-K14 VanDerWaalsContact C-N 3.32Å; F12-K14 PolarHBondContact O-N 2.88Å; F12-A15 PolarHBondContact O-N 2.76Å; F12-F16 PolarHBondContact O-N 3.42Å
13	R	97.6	Very high	96.9	Very high	163 Å²	163	102.1 Å²	102.1	62%	0.615	50%	0.502	S	S	*	.	H	α-helix	trans	-56.1	-46.9	175.4	175	178.1	175.6	152.2	7.7	111.6	T9 Q10 A15 F16 E17	T9-R13 PolarHBondContact O-N 2.99Å; Q10-R13 PolarHBondContact O-N 3.03Å; R13-A15 VanDerWaalsContact C-N 3.34Å; R13-A15 PolarHBondContact O-N 2.86Å; R13-F16 PolarHBondContact O-N 3.21Å; R13-E17 HydrophobicContact CG-CG 4.25Å; R13-E17 IonicContact CZ-OE1 3.32Å; R13-E17 VanDerWaalsContact CZ-OE1 3.23Å; R13-E17 IonicContact NE-OE1 3.68Å; R13-E17 PolarHBondContact NE-OE1 3.32Å; R13-E17 IonicContact NE-OE2 3.62Å; R13-E17 IonicContact NH2-OE1 2.63Å; R13-E17 PolarHBondContact NH2-OE1 2.94Å; R13-E17 WeakPolarHBondContact O-CB 3.33Å; R13-E17 WeakPolarHBondContact O-CG 3.48Å; R13-E17 PolarHBondContact O-N 2.84Å
14	K	98.2	Very high	97	Very high	127 Å²	127	96.4 Å²	96.4	55%	0.552	49%	0.488	S	S	*	.	H	α-helix	trans	-62.6	-41.5	179.3	-175.5	178	177.3	-177.9	0	111.6	Q10 A11 F12 E17 Q18	Q10-K14 WeakPolarHBondContact O-CB 3.3Å; Q10-K14 PolarHBondContact O-N 2.82Å; A11-K14 PolarHBondContact O-N 3.37Å; F12-K14 VanDerWaalsContact C-N 3.32Å; F12-K14 PolarHBondContact O-N 2.88Å; K14-E17 PolarHBondContact O-N 3.45Å; K14-Q18 HydrophobicContact CG-CG 4.48Å; K14-Q18 WeakPolarHBondContact O-CB 3.33Å; K14-Q18 WeakPolarHBondContact O-CG 3.16Å; K14-Q18 PolarHBondContact O-N 3.37Å
15	A	97.9	Very high	97.1	Very high	58 Å²	58	91.7 Å²	91.7	48%	0.479	46%	0.464	S	S	.	.	H	α-helix	trans	-61.7	-44.1	176.1	0	0	0	0	0	111.6	A11 F12 R13 Q18 N19	A11-A15 PolarHBondContact O-N 3.32Å; F12-A15 PolarHBondContact O-N 2.76Å; R13-A15 VanDerWaalsContact C-N 3.34Å; R13-A15 PolarHBondContact O-N 2.86Å; A15-Q18 PolarHBondContact O-N 3.14Å; A15-N19 PolarHBondContact O-N 3.17Å
16	F	97.5	Very high	97.2	Very high	73 Å²	73	94.1 Å²	94.1	32%	0.32	47%	0.473	S	S	.	.	H	α-helix	trans	-63.1	-48	175.6	178.7	-93.8	0	0	0	112.5	F12 R13 Q18 N19 Q22 I23 Q26	F12-F16 PolarHBondContact O-N 3.42Å; R13-F16 PolarHBondContact O-N 3.21Å; F16-Q18 PolarHBondContact O-N 3.37Å; F16-N19 PolarHBondContact O-N 2.86Å; F16-N19 VanDerWaalsContact O-N 3.09Å; F16-Q22 HydrophobicContact CD2-CB 3.93Å; F16-Q22 HydrophobicContact CD2-CG 4.44Å; F16-Q22 HydrophobicContact CE2-CB 3.76Å; F16-Q22 HydrophobicContact CE2-CG 4.46Å; F16-Q22 HydrophobicContact CZ-CB 4.43Å; F16-I23 HydrophobicContact CD1-CD1 4Å; F16-I23 HydrophobicContact CE1-CD1 3.61Å; F16-I23 HydrophobicContact CZ-CD1 4.34Å; F16-Q26 HydrophobicContact CZ-CB 4.07Å; F16-Q26 HydrophobicContact CZ-CG 4.27Å
17	E	97.7	Very high	97.3	Very high	99 Å²	99	96.3 Å²	96.3	46%	0.463	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-25	179.3	-73.6	175.3	163	0	0	113.2	R13 K14	R13-E17 HydrophobicContact CG-CG 4.25Å; R13-E17 IonicContact CZ-OE1 3.32Å; R13-E17 VanDerWaalsContact CZ-OE1 3.23Å; R13-E17 IonicContact NE-OE1 3.68Å; R13-E17 PolarHBondContact NE-OE1 3.32Å; R13-E17 IonicContact NE-OE2 3.62Å; R13-E17 IonicContact NH2-OE1 2.63Å; R13-E17 PolarHBondContact NH2-OE1 2.94Å; R13-E17 WeakPolarHBondContact O-CB 3.33Å; R13-E17 WeakPolarHBondContact O-CG 3.48Å; R13-E17 PolarHBondContact O-N 2.84Å; K14-E17 PolarHBondContact O-N 3.45Å
18	Q	97.9	Very high	97.3	Very high	142 Å²	142	90.7 Å²	90.7	66%	0.664	45%	0.452	S	S	*	.	H	α-helix	trans	-83	-15.2	176.1	-74.1	178.3	-22.8	0	0	113.5	K14 A15 F16 S20	K14-Q18 HydrophobicContact CG-CG 4.48Å; K14-Q18 WeakPolarHBondContact O-CB 3.33Å; K14-Q18 WeakPolarHBondContact O-CG 3.16Å; K14-Q18 PolarHBondContact O-N 3.37Å; A15-Q18 PolarHBondContact O-N 3.14Å; F16-Q18 PolarHBondContact O-N 3.37Å; Q18-S20 PolarHBondContact O-N 3.09Å
19	N	97.1	Very high	97.4	Very high	53 Å²	53	85.4 Å²	85.4	28%	0.283	44%	0.435	S	S	.	.			trans	-92.1	101.6	178.7	-174.8	-24	0	0	0	110.5	A15 F16 K21 Q22 I23	A15-N19 PolarHBondContact O-N 3.17Å; F16-N19 PolarHBondContact O-N 2.86Å; F16-N19 VanDerWaalsContact O-N 3.09Å; N19-K21 VanDerWaalsContact C-N 3.27Å; N19-K21 PolarHBondContact O-N 2.88Å; N19-K21 VanDerWaalsContact OD1-CB 3.31Å; N19-K21 WeakPolarHBondContact OD1-CB 3.33Å; N19-K21 PolarHBondContact OD1-N 3.24Å; N19-Q22 HydrophobicContact CB-CB 4Å; N19-Q22 HydrophobicContact CB-CG 4.07Å; N19-Q22 WeakPolarHBondContact ND2-CG 3.3Å; N19-Q22 PolarHBondContact ND2-OE1 3.43Å; N19-Q22 PolarHBondContact O-N 3.08Å; N19-Q22 PolarHBondContact OD1-N 3.21Å; N19-Q22 VanDerWaalsContact OD1-N 3.17Å; N19-I23 PolarHBondContact O-N 3.29Å
20	S	97	Very high	97.5	Very high	103 Å²	103	87.9 Å²	87.9	72%	0.72	45%	0.45	S	S	*	.	H	α-helix	trans	-63.1	-29.3	-179	56.6	0	0	0	0	113.9	Q18 A24	Q18-S20 PolarHBondContact O-N 3.09Å; S20-A24 WeakPolarHBondContact O-CB 3.2Å; S20-A24 PolarHBondContact O-N 2.73Å
21	K	96.1	Very high	97.5	Very high	101 Å²	101	89.6 Å²	89.6	44%	0.439	46%	0.455	S	S	.	.	H	α-helix	trans	-62.4	-52.5	173.3	-178.3	-168	173.5	-164.5	0	108.9	N19 I23 A24 L25 D343	N19-K21 VanDerWaalsContact C-N 3.27Å; N19-K21 PolarHBondContact O-N 2.88Å; N19-K21 VanDerWaalsContact OD1-CB 3.31Å; N19-K21 WeakPolarHBondContact OD1-CB 3.33Å; N19-K21 PolarHBondContact OD1-N 3.24Å; K21-I23 VanDerWaalsContact C-N 3.32Å; K21-I23 PolarHBondContact O-N 3.08Å; K21-A24 WeakPolarHBondContact O-CB 3.36Å; K21-A24 PolarHBondContact O-N 2.7Å; K21-A24 VanDerWaalsContact O-N 3.07Å; K21-L25 HydrophobicContact CD-CD1 4.44Å; K21-L25 HydrophobicContact CG-CD1 3.99Å; K21-L25 HydrophobicContact CG-CG 4.38Å; K21-L25 WeakPolarHBondContact O-CG 3.5Å; K21-L25 PolarHBondContact O-N 3.13Å; K21-D343 IonicContact NZ-OD1 3.5Å; K21-D343 PolarHBondContact NZ-OD1 2.86Å; K21-D343 IonicContact NZ-OD2 2.73Å
22	Q	96.9	Very high	97.5	Very high	52 Å²	52	91.9 Å²	91.9	24%	0.243	46%	0.46	C	S	.	.	H	α-helix	trans	-60.2	-39.7	179.3	-72.7	175.7	-14.7	0	0	112.6	F16 N19 L25 Q26	F16-Q22 HydrophobicContact CD2-CB 3.93Å; F16-Q22 HydrophobicContact CD2-CG 4.44Å; F16-Q22 HydrophobicContact CE2-CB 3.76Å; F16-Q22 HydrophobicContact CE2-CG 4.46Å; F16-Q22 HydrophobicContact CZ-CB 4.43Å; N19-Q22 HydrophobicContact CB-CB 4Å; N19-Q22 HydrophobicContact CB-CG 4.07Å; N19-Q22 WeakPolarHBondContact ND2-CG 3.3Å; N19-Q22 PolarHBondContact ND2-OE1 3.43Å; N19-Q22 PolarHBondContact O-N 3.08Å; N19-Q22 PolarHBondContact OD1-N 3.21Å; N19-Q22 VanDerWaalsContact OD1-N 3.17Å; Q22-L25 PolarHBondContact O-N 3.14Å; Q22-Q26 VanDerWaalsContact O-CB 3.28Å; Q22-Q26 WeakPolarHBondContact O-CB 3.44Å; Q22-Q26 PolarHBondContact O-N 2.97Å
23	I	97.6	Very high	97.5	Very high	34 Å²	34	88 Å²	88	17%	0.174	45%	0.452	C	S	.	.	H	α-helix	trans	-65.2	-38.3	174.3	-65.1	-57.7	0	0	0	112.5	F16 N19 K21 R27	F16-I23 HydrophobicContact CD1-CD1 4Å; F16-I23 HydrophobicContact CE1-CD1 3.61Å; F16-I23 HydrophobicContact CZ-CD1 4.34Å; N19-I23 PolarHBondContact O-N 3.29Å; K21-I23 VanDerWaalsContact C-N 3.32Å; K21-I23 PolarHBondContact O-N 3.08Å; I23-R27 WeakPolarHBondContact O-CG 3.5Å; I23-R27 PolarHBondContact O-N 3.08Å
24	A	97.1	Very high	97.4	Very high	56 Å²	56	84.2 Å²	84.2	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-66.7	-46.8	175.5	0	0	0	0	0	111.5	S20 K21 Q26 R27 G28	S20-A24 WeakPolarHBondContact O-CB 3.2Å; S20-A24 PolarHBondContact O-N 2.73Å; K21-A24 WeakPolarHBondContact O-CB 3.36Å; K21-A24 PolarHBondContact O-N 2.7Å; K21-A24 VanDerWaalsContact O-N 3.07Å; A24-Q26 VanDerWaalsContact C-N 3.35Å; A24-Q26 PolarHBondContact O-N 2.86Å; A24-R27 WeakPolarHBondContact O-CB 3.32Å; A24-R27 PolarHBondContact O-N 3.48Å; A24-R27 VanDerWaalsContact O-N 3.16Å; A24-G28 PolarHBondContact O-N 3.32Å
25	L	97	Very high	97.3	Very high	53 Å²	53	85 Å²	85	28%	0.277	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-43.7	176.4	-66.9	177.7	0	0	0	111.6	K21 Q22 R27 G28 V29 L341	K21-L25 HydrophobicContact CD-CD1 4.44Å; K21-L25 HydrophobicContact CG-CD1 3.99Å; K21-L25 HydrophobicContact CG-CG 4.38Å; K21-L25 WeakPolarHBondContact O-CG 3.5Å; K21-L25 PolarHBondContact O-N 3.13Å; Q22-L25 PolarHBondContact O-N 3.14Å; L25-R27 PolarHBondContact O-N 3.28Å; L25-G28 PolarHBondContact O-N 3.04Å; L25-G28 VanDerWaalsContact O-N 3.08Å; L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.49Å; L25-L341 HydrophobicContact CB-CD1 4.32Å; L25-L341 HydrophobicContact CD1-CD1 4.44Å; L25-L341 WeakPolarHBondContact CD1-O 3.31Å; L25-L341 HydrophobicContact CD2-CD1 3.91Å; L25-L341 HydrophobicContact CG-CD1 4.44Å
26	Q	97.7	Very high	97.1	Very high	89 Å²	89	85.4 Å²	85.4	42%	0.416	45%	0.447	S	S	.	.	H	α-helix	trans	-52.8	-43.2	174.8	-177.2	-174.6	49.6	0	0	111.8	F16 Q22 A24 V30	F16-Q26 HydrophobicContact CZ-CB 4.07Å; F16-Q26 HydrophobicContact CZ-CG 4.27Å; Q22-Q26 VanDerWaalsContact O-CB 3.28Å; Q22-Q26 WeakPolarHBondContact O-CB 3.44Å; Q22-Q26 PolarHBondContact O-N 2.97Å; A24-Q26 VanDerWaalsContact C-N 3.35Å; A24-Q26 PolarHBondContact O-N 2.86Å; Q26-V30 HydrophobicContact CG-CG2 3.99Å; Q26-V30 WeakPolarHBondContact O-CB 3.38Å; Q26-V30 WeakPolarHBondContact O-CG2 3.42Å; Q26-V30 PolarHBondContact O-N 3.42Å
27	R	98.1	Very high	97.1	Very high	176 Å²	176	83.9 Å²	83.9	66%	0.664	45%	0.445	S	S	*	.	H	α-helix	trans	-63.9	-42.9	179.9	-67.1	164.4	-176	172.1	1.4	111.7	I23 A24 L25 K31	I23-R27 WeakPolarHBondContact O-CG 3.5Å; I23-R27 PolarHBondContact O-N 3.08Å; A24-R27 WeakPolarHBondContact O-CB 3.32Å; A24-R27 PolarHBondContact O-N 3.48Å; A24-R27 VanDerWaalsContact O-N 3.16Å; L25-R27 PolarHBondContact O-N 3.28Å; R27-K31 VanDerWaalsContact O-CB 3.32Å; R27-K31 WeakPolarHBondContact O-CB 3.23Å; R27-K31 PolarHBondContact O-N 3.35Å
28	G	97.1	Very high	97	Very high	25 Å²	25	79.4 Å²	79.4	26%	0.258	43%	0.425	S	S	.	.	H	α-helix	trans	-62.3	-54	176.3	0	0	0	0	0	111.5	A24 L25 V30 K31 N32 S37	A24-G28 PolarHBondContact O-N 3.32Å; L25-G28 PolarHBondContact O-N 3.04Å; L25-G28 VanDerWaalsContact O-N 3.08Å; G28-V30 PolarHBondContact O-N 3.43Å; G28-K31 PolarHBondContact O-N 2.92Å; G28-K31 VanDerWaalsContact O-N 3.15Å; G28-N32 WeakPolarHBondContact O-CB 3.5Å; G28-N32 PolarHBondContact O-N 3.46Å; G28-N32 PolarHBondContact O-ND2 3.29Å; G28-S37 PolarHBondContact O-OG 3.31Å
29	V	97.8	Very high	96.9	Very high	29 Å²	29	75.9 Å²	75.9	18%	0.176	41%	0.408	C	S	.	.	H	α-helix	trans	-64.7	-41.4	-177.1	178.9	0	0	0	0	112.3	L25 K31 G33 I34 S37 L341	L25-V29 WeakPolarHBondContact O-CG2 3.39Å; L25-V29 PolarHBondContact O-N 3.49Å; V29-K31 VanDerWaalsContact C-N 3.27Å; V29-K31 PolarHBondContact O-N 3.19Å; V29-G33 WeakPolarHBondContact O-CA 3.42Å; V29-G33 PolarHBondContact O-N 2.98Å; V29-I34 HydrophobicContact CG1-CG1 3.94Å; V29-S37 WeakPolarHBondContact CA-OG 3.35Å; V29-L341 HydrophobicContact CG2-CD1 3.68Å; V29-L341 HydrophobicContact CG2-CD2 3.76Å; V29-L341 HydrophobicContact CG2-CG 4.11Å
30	V	98	Very high	96.8	Very high	118 Å²	118	74.8 Å²	74.8	72%	0.715	40%	0.402	S	S	*	.	H	α-helix	trans	-63.5	-35.6	176.6	168	0	0	0	0	111.4	Q26 G28	Q26-V30 HydrophobicContact CG-CG2 3.99Å; Q26-V30 WeakPolarHBondContact O-CB 3.38Å; Q26-V30 WeakPolarHBondContact O-CG2 3.42Å; Q26-V30 PolarHBondContact O-N 3.42Å; G28-V30 PolarHBondContact O-N 3.43Å
31	K	98.2	Very high	96.6	Very high	168 Å²	168	75.6 Å²	75.6	73%	0.73	40%	0.397	S	S	*	.	H	α-helix	trans	-78.9	-40.3	-178.5	179.8	57.8	-174.4	171.4	0	112.7	R27 G28 V29	R27-K31 VanDerWaalsContact O-CB 3.32Å; R27-K31 WeakPolarHBondContact O-CB 3.23Å; R27-K31 PolarHBondContact O-N 3.35Å; G28-K31 PolarHBondContact O-N 2.92Å; G28-K31 VanDerWaalsContact O-N 3.15Å; V29-K31 VanDerWaalsContact C-N 3.27Å; V29-K31 PolarHBondContact O-N 3.19Å
32	N	97.3	Very high	96.6	Very high	97 Å²	97	75.2 Å²	75.2	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-112.4	-17.9	-166.7	-57	-38.3	0	0	0	113.9	G28 A36	G28-N32 WeakPolarHBondContact O-CB 3.5Å; G28-N32 PolarHBondContact O-N 3.46Å; G28-N32 PolarHBondContact O-ND2 3.29Å; N32-A36 HydrophobicContact CB-CB 4.22Å
33	G	97.4	Very high	96.5	Very high	32 Å²	32	72.7 Å²	72.7	33%	0.33	39%	0.385	S	S	.	.			trans	87.5	171.3	-167.9	0	0	0	0	0	112.7	V29 S37	V29-G33 WeakPolarHBondContact O-CA 3.42Å; V29-G33 PolarHBondContact O-N 2.98Å; G33-S37 VanDerWaalsContact O-CB 3.31Å; G33-S37 WeakPolarHBondContact O-CB 3.43Å; G33-S37 PolarHBondContact O-N 3.45Å; G33-S37 PolarHBondContact O-OG 2.84Å
34	I	96.8	Very high	96.2	Very high	83 Å²	83	73.9 Å²	73.9	43%	0.426	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-61.1	-174.7	-59.2	178.3	0	0	0	110.8	V29 A36 S37 A38 V338 L341 F342	V29-I34 HydrophobicContact CG1-CG1 3.94Å; I34-A36 PolarHBondContact O-N 2.89Å; I34-S37 CarbonylContact O-C 3.57Å; I34-S37 WeakPolarHBondContact O-CA 3.49Å; I34-S37 PolarHBondContact O-N 3.43Å; I34-A38 WeakPolarHBondContact O-CB 3.49Å; I34-A38 PolarHBondContact O-N 2.89Å; I34-V338 HydrophobicContact CG2-CG2 4.49Å; I34-L341 HydrophobicContact CG2-CD2 4.01Å; I34-F342 HydrophobicContact CD1-CE2 4.14Å; I34-F342 HydrophobicContact CD1-CZ 3.75Å; I34-F342 HydrophobicContact CG1-CE2 4.44Å; I34-F342 HydrophobicContact CG1-CZ 3.88Å; I34-F342 HydrophobicContact CG2-CE2 3.76Å; I34-F342 HydrophobicContact CG2-CZ 3.96Å
35	R	94.5	Very high	96.1	Very high	144 Å²	144	75.6 Å²	75.6	54%	0.543	40%	0.395	S	S	.	.	H	α-helix	trans	-56.1	-51	-175.2	-74.3	-177.2	178.6	-179.9	-5.4	112.7	S37 A38 E39 G321 Y336	R35-S37 PolarHBondContact O-N 2.98Å; R35-S37 VanDerWaalsContact O-N 3.14Å; R35-A38 CarbonylContact O-C 3.2Å; R35-A38 PolarHBondContact O-N 3.29Å; R35-E39 PolarHBondContact O-N 3.1Å; R35-G321 PolarHBondContact NH2-O 3.12Å; R35-Y336 HydrophobicContact CB-CD1 4.02Å; R35-Y336 HydrophobicContact CB-CE1 3.56Å; R35-Y336 HydrophobicContact CG-CD1 4.21Å; R35-Y336 HydrophobicContact CG-CE1 3.88Å; R35-Y336 HydrophobicContact CG-CE2 4.36Å; R35-Y336 WeakPolarHBondContact O-CD1 3.3Å
36	A	94.8	Very high	95.9	Very high	67 Å²	67	78.1 Å²	78.1	55%	0.554	41%	0.405	S	S	*	.	H	α-helix	trans	-64.5	-19.1	178.3	0	0	0	0	0	114.1	N32 I34	N32-A36 HydrophobicContact CB-CB 4.22Å; I34-A36 PolarHBondContact O-N 2.89Å
37	S	96.3	Very high	95.8	Very high	40 Å²	40	74.6 Å²	74.6	28%	0.28	39%	0.389	S	S	.	.	H	α-helix	trans	-92.8	-19.4	174.3	-55.1	0	0	0	0	113.3	G28 V29 G33 I34 R35	G28-S37 PolarHBondContact O-OG 3.31Å; V29-S37 WeakPolarHBondContact CA-OG 3.35Å; G33-S37 VanDerWaalsContact O-CB 3.31Å; G33-S37 WeakPolarHBondContact O-CB 3.43Å; G33-S37 PolarHBondContact O-N 3.45Å; G33-S37 PolarHBondContact O-OG 2.84Å; I34-S37 CarbonylContact O-C 3.57Å; I34-S37 WeakPolarHBondContact O-CA 3.49Å; I34-S37 PolarHBondContact O-N 3.43Å; R35-S37 PolarHBondContact O-N 2.98Å; R35-S37 VanDerWaalsContact O-N 3.14Å
38	A	96.2	Very high	95.6	Very high	5 Å²	5	69.1 Å²	69.1	4%	0.041	38%	0.375	C	S	.	.	H	α-helix	trans	-103.5	-10.3	-177.8	0	0	0	0	0	113	I34 R35 N40 Y336 D337 V338 L341	I34-A38 WeakPolarHBondContact O-CB 3.49Å; I34-A38 PolarHBondContact O-N 2.89Å; R35-A38 CarbonylContact O-C 3.2Å; R35-A38 PolarHBondContact O-N 3.29Å; A38-N40 PolarHBondContact O-N 3.48Å; A38-Y336 CarbonylContact O-C 3.57Å; A38-Y336 VanDerWaalsContact O-CA 3.3Å; A38-Y336 WeakPolarHBondContact O-CA 3.24Å; A38-D337 PolarHBondContact O-N 3.3Å; A38-V338 HydrophobicContact CB-CG2 4.06Å; A38-L341 HydrophobicContact CB-CD2 3.91Å
39	E	96.3	Very high	95.6	Very high	69 Å²	69	71.2 Å²	71.2	32%	0.322	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-59.9	122.2	-176.3	-172.2	175.4	161.5	0	0	111.3	R35 I41 H44 T325 A335 Y336	R35-E39 PolarHBondContact O-N 3.1Å; E39-I41 PolarHBondContact O-N 3.49Å; E39-H44 IonicContact OE1-CE1 2.9Å; E39-H44 PolarHBondContact OE1-CE1 3Å; E39-H44 VanDerWaalsContact OE1-CE1 3.24Å; E39-H44 IonicContact OE1-NE2 2.79Å; E39-H44 PolarHBondContact OE1-NE2 3.36Å; E39-T325 HydrophobicContact CG-CG2 4.32Å; E39-A335 WeakPolarHBondContact CA-O 3.4Å; E39-Y336 HydrophobicContact CB-CD1 4.08Å; E39-Y336 HydrophobicContact CB-CE1 4.15Å; E39-Y336 HydrophobicContact CG-CE1 4.39Å
40	N	95.2	Very high	95.5	Very high	30 Å²	30	74.5 Å²	74.5	16%	0.16	40%	0.404	C	S	.	.			trans	-85.9	112.4	-177.7	-178.2	-1.9	0	0	0	110.1	A38 Q42 T43 D334 A335	A38-N40 PolarHBondContact O-N 3.48Å; N40-Q42 PolarHBondContact O-N 2.96Å; N40-Q42 VanDerWaalsContact OD1-CB 3.23Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.26Å; N40-Q42 PolarHBondContact OD1-N 3.24Å; N40-T43 WeakPolarHBondContact O-CG2 3.35Å; N40-T43 PolarHBondContact O-N 3.3Å; N40-D334 WeakPolarHBondContact CB-O 3.46Å; N40-D334 PolarHBondContact ND2-O 2.82Å; N40-D334 PolarHBondContact ND2-OD2 3.23Å; N40-A335 PolarHBondContact N-O 3.32Å; N40-A335 VanDerWaalsContact N-O 3.12Å
41	I	93	Very high	95.5	Very high	119 Å²	119	70 Å²	70	61%	0.61	38%	0.375	S	S	*	.	H	α-helix	trans	-66.8	-26.2	-179.7	-58.2	-58.3	0	0	0	112.2	E39 T43 H44	E39-I41 PolarHBondContact O-N 3.49Å; I41-T43 VanDerWaalsContact C-N 3.27Å; I41-T43 PolarHBondContact O-N 3.24Å; I41-H44 WeakPolarHBondContact O-CB 3.42Å; I41-H44 PolarHBondContact O-N 2.98Å
42	Q	94.9	Very high	95.5	Very high	93 Å²	93	65.2 Å²	65.2	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-64.7	-33.1	179.5	-175.1	57.3	34.5	0	0	111.6	N40 H44 V45 E46	N40-Q42 PolarHBondContact O-N 2.96Å; N40-Q42 VanDerWaalsContact OD1-CB 3.23Å; N40-Q42 WeakPolarHBondContact OD1-CB 3.26Å; N40-Q42 PolarHBondContact OD1-N 3.24Å; Q42-H44 PolarHBondContact O-N 2.91Å; Q42-H44 VanDerWaalsContact O-N 3.16Å; Q42-V45 WeakPolarHBondContact O-CB 3.41Å; Q42-V45 PolarHBondContact O-N 3.17Å; Q42-E46 VanDerWaalsContact CG-OE1 3.32Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.2Å; Q42-E46 PolarHBondContact NE2-OE1 3.49Å; Q42-E46 PolarHBondContact O-N 2.88Å
43	T	94.2	Very high	95.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-29.7	177	-158.9	0	0	0	0	112.5	N40 I41 V45 E46 N47 I330 A332 D334	N40-T43 WeakPolarHBondContact O-CG2 3.35Å; N40-T43 PolarHBondContact O-N 3.3Å; I41-T43 VanDerWaalsContact C-N 3.27Å; I41-T43 PolarHBondContact O-N 3.24Å; T43-V45 VanDerWaalsContact C-N 3.35Å; T43-E46 PolarHBondContact O-N 3.47Å; T43-N47 VanDerWaalsContact O-CB 3.3Å; T43-N47 WeakPolarHBondContact O-CB 3.46Å; T43-N47 PolarHBondContact O-N 3.36Å; T43-N47 PolarHBondContact O-ND2 3.25Å; T43-N47 PolarHBondContact OG1-ND2 2.95Å; T43-I330 HydrophobicContact CG2-CD1 4.27Å; T43-I330 HydrophobicContact CG2-CG2 4.22Å; T43-A332 WeakPolarHBondContact OG1-CB 3.48Å; T43-D334 WeakPolarHBondContact CB-OD1 3.45Å; T43-D334 PolarHBondContact OG1-OD1 2.8Å
44	H	93.2	Very high	95.5	Very high	59 Å²	59	64.6 Å²	64.6	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-71.2	-30.6	176.3	-65.2	-113	0	0	0	112.6	E39 I41 Q42 S328 I330	E39-H44 IonicContact OE1-CE1 2.9Å; E39-H44 PolarHBondContact OE1-CE1 3Å; E39-H44 VanDerWaalsContact OE1-CE1 3.24Å; E39-H44 IonicContact OE1-NE2 2.79Å; E39-H44 PolarHBondContact OE1-NE2 3.36Å; I41-H44 WeakPolarHBondContact O-CB 3.42Å; I41-H44 PolarHBondContact O-N 2.98Å; Q42-H44 PolarHBondContact O-N 2.91Å; Q42-H44 VanDerWaalsContact O-N 3.16Å; H44-S328 VanDerWaalsContact CE1-CB 3.4Å; H44-S328 WeakPolarHBondContact CE1-CB 3.21Å; H44-S328 PolarHBondContact CE1-OG 3.5Å; H44-I330 HydrophobicContact CB-CD1 3.9Å; H44-I330 VanDerWaalsContact ND1-CD1 3.34Å; H44-I330 WeakPolarHBondContact ND1-CD1 3.29Å
45	V	94	Very high	95.4	Very high	92 Å²	92	62 Å²	62	56%	0.558	34%	0.338	S	S	*	.	H	α-helix	trans	-74.1	-36.6	177.7	-180	0	0	0	0	110.5	Q42 T43	Q42-V45 WeakPolarHBondContact O-CB 3.41Å; Q42-V45 PolarHBondContact O-N 3.17Å; T43-V45 VanDerWaalsContact C-N 3.35Å
46	E	92.9	Very high	95.3	Very high	106 Å²	106	59.2 Å²	59.2	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-81.7	-37.8	-176.1	-67.6	172.9	-171.2	0	0	111.8	Q42 T43 T48	Q42-E46 VanDerWaalsContact CG-OE1 3.32Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.2Å; Q42-E46 PolarHBondContact NE2-OE1 3.49Å; Q42-E46 PolarHBondContact O-N 2.88Å; T43-E46 PolarHBondContact O-N 3.47Å; E46-T48 VanDerWaalsContact C-N 3.32Å; E46-T48 PolarHBondContact O-N 3.02Å
47	N	94.8	Very high	95.1	Very high	14 Å²	14	56.3 Å²	56.3	8%	0.075	32%	0.322	C	S	.	.	S	Bend	trans	-93.1	47.7	-178.2	-66.5	-74.9	0	0	0	113.3	T43 I330 V397	T43-N47 VanDerWaalsContact O-CB 3.3Å; T43-N47 WeakPolarHBondContact O-CB 3.46Å; T43-N47 PolarHBondContact O-N 3.36Å; T43-N47 PolarHBondContact O-ND2 3.25Å; T43-N47 PolarHBondContact OG1-ND2 2.95Å; N47-I330 HydrophobicContact CB-CG2 3.98Å; N47-V397 HydrophobicContact CB-CB 4.35Å; N47-V397 HydrophobicContact CB-CG1 3.96Å
48	T	95.5	Very high	94.8	Very high	61 Å²	61	56.8 Å²	56.8	37%	0.374	33%	0.333	S	S	.	.			trans	-62.9	138.8	173	47.6	0	0	0	0	111.7	E46 V50 K379	E46-T48 VanDerWaalsContact C-N 3.32Å; E46-T48 PolarHBondContact O-N 3.02Å; T48-V50 PolarHBondContact O-N 3.33Å; T48-K379 WeakPolarHBondContact O-CE 3.46Å; T48-K379 PolarHBondContact O-NZ 3.11Å; T48-K379 PolarHBondContact OG1-NZ 3.3Å; T48-K379 VanDerWaalsContact OG1-NZ 3.15Å
49	P	95.7	Very high	94.7	Very high	69 Å²	69	61.1 Å²	61.1	45%	0.448	35%	0.351	S	S	.	.	S	Bend	trans	-81	60.2	-174.7	33.8	-37.4	0	0	0	112.4	F51 V397	P49-F51 VanDerWaalsContact C-CE2 3.48Å; P49-F51 HydrophobicContact CB-CE2 4.24Å; P49-V397 HydrophobicContact CB-CG2 3.64Å
50	V	96.3	Very high	94.7	Very high	99 Å²	99	58.5 Å²	58.5	60%	0.6	34%	0.34	S	S	*	.			trans	-128	130.2	177.4	-176.4	0	0	0	0	108.2	T48 K379	T48-V50 PolarHBondContact O-N 3.33Å; V50-K379 WeakPolarHBondContact O-CE 3.33Å
51	F	98	Very high	94.8	Very high	22 Å²	22	57.1 Å²	57.1	10%	0.096	33%	0.333	C	S	.	.			trans	-135.8	140.3	-169.8	-50.3	-85.4	0	0	0	110.8	P49 I53 D54 D371 K379 W380 K381 V397	P49-F51 VanDerWaalsContact C-CE2 3.48Å; P49-F51 HydrophobicContact CB-CE2 4.24Å; F51-I53 VanDerWaalsContact C-N 3.34Å; F51-I53 WeakPolarHBondContact CB-O 3.33Å; F51-D54 HydrophobicContact CB-CB 4.48Å; F51-D371 HydrophobicContact CD1-CB 4.23Å; F51-K379 HydrophobicContact CD1-CG 4.3Å; F51-K379 HydrophobicContact CE1-CD 4.43Å; F51-K379 HydrophobicContact CE1-CG 4.1Å; F51-W380 VanDerWaalsContact CE1-C 3.42Å; F51-K381 HydrophobicContact CD1-CB 4.01Å; F51-K381 HydrophobicContact CD2-CB 3.79Å; F51-K381 HydrophobicContact CD2-CD 3.84Å; F51-K381 HydrophobicContact CD2-CG 4.04Å; F51-K381 HydrophobicContact CE1-CB 3.74Å; F51-K381 VanDerWaalsContact CE1-N 3.34Å; F51-K381 HydrophobicContact CE2-CB 3.51Å; F51-K381 HydrophobicContact CE2-CD 3.76Å; F51-K381 HydrophobicContact CE2-CG 3.55Å; F51-K381 HydrophobicContact CG-CB 4.03Å; F51-K381 HydrophobicContact CZ-CB 3.47Å; F51-K381 VanDerWaalsContact CZ-CB 3.47Å; F51-K381 HydrophobicContact CZ-CG 3.86Å; F51-V397 HydrophobicContact CE1-CG1 4.23Å; F51-V397 HydrophobicContact CZ-CG1 4.15Å; F51-V397 HydrophobicContact CZ-CG2 4.07Å
52	S	97.8	Very high	95.1	Very high	69 Å²	69	54.5 Å²	54.5	48%	0.483	32%	0.32	S	S	.	.	S	Bend	trans	-65.6	-34.3	173.9	61.1	0	0	0	0	113.6	V370 D371 L372	S52-V370 PolarHBondContact N-O 3.43Å; S52-V370 PolarHBondContact OG-O 3.12Å; S52-V370 VanDerWaalsContact OG-O 3.06Å; S52-D371 PolarHBondContact N-OD1 3.09Å; S52-D371 VanDerWaalsContact N-OD1 3.07Å; S52-L372 PolarHBondContact OG-N 3.36Å
53	I	98.1	Very high	95.2	Very high	31 Å²	31	50.6 Å²	50.6	16%	0.159	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.4	170.5	-58.9	178.4	0	0	0	106.8	F51 L55 L308 E309 G369 V370 L372	F51-I53 VanDerWaalsContact C-N 3.34Å; F51-I53 WeakPolarHBondContact CB-O 3.33Å; I53-L55 HydrophobicContact CG2-CD2 4.48Å; I53-L308 HydrophobicContact CG2-CB 4.35Å; I53-E309 HydrophobicContact CD1-CG 3.55Å; I53-G369 CarbonylContact O-C 3.44Å; I53-G369 WeakPolarHBondContact O-CA 3.47Å; I53-V370 HydrophobicContact CB-CG1 4.01Å; I53-V370 HydrophobicContact CD1-CG1 3.89Å; I53-V370 HydrophobicContact CG1-CG1 4.29Å; I53-V370 PolarHBondContact N-O 3.25Å; I53-V370 PolarHBondContact O-N 3.48Å; I53-L372 HydrophobicContact CD1-CD1 3.82Å
54	D	97	Very high	95.4	Very high	85 Å²	85	56.4 Å²	56.4	46%	0.455	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	109.3	-179.7	-169.2	-9.9	0	0	0	110.2	F51 K381	F51-D54 HydrophobicContact CB-CB 4.48Å; D54-K381 WeakPolarHBondContact OD1-CD 3.36Å; D54-K381 IonicContact OD1-NZ 2.84Å; D54-K381 PolarHBondContact OD1-NZ 3.3Å; D54-K381 IonicContact OD2-NZ 3.75Å; D54-K381 PolarHBondContact OD2-NZ 3.11Å
55	L	95.6	Very high	95.7	Very high	27 Å²	27	60.1 Å²	60.1	14%	0.141	34%	0.344	C	S	.	.			trans	-80.2	140.1	-179.7	-54.2	-176.3	0	0	0	111	I53 T57 L308 E312 T368	I53-L55 HydrophobicContact CG2-CD2 4.48Å; L55-T57 HydrophobicContact CB-CG2 4.32Å; L55-T57 PolarHBondContact O-N 2.64Å; L55-L308 HydrophobicContact CD1-CD2 3.86Å; L55-L308 HydrophobicContact CG-CD2 4.49Å; L55-E312 VanDerWaalsContact CD1-C 3.49Å; L55-T368 VanDerWaalsContact CB-O 3.25Å; L55-T368 WeakPolarHBondContact CB-O 3.38Å; L55-T368 VanDerWaalsContact CG-O 3.29Å; L55-T368 WeakPolarHBondContact CG-O 3.2Å; L55-T368 PolarHBondContact N-O 2.86Å
56	A	90.8	Very high	95.9	Very high	86 Å²	86	56.3 Å²	56.3	71%	0.711	32%	0.322	S	S	*	.			trans	-77.5	110.3	173.9	0	0	0	0	0	110.7
57	T	90.8	Very high	96.1	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.037	31%	0.31	C	S	.	.			trans	-118.3	-9.7	-173.6	58.6	0	0	0	0	115.7	L55 R79 H80 L83 T368 F395	L55-T57 HydrophobicContact CB-CG2 4.32Å; L55-T57 PolarHBondContact O-N 2.64Å; T57-R79 PolarHBondContact O-NH2 2.65Å; T57-H80 VanDerWaalsContact CB-CD2 3.44Å; T57-H80 WeakPolarHBondContact CB-CD2 3.28Å; T57-H80 WeakPolarHBondContact CB-NE2 3.37Å; T57-L83 WeakPolarHBondContact O-CD1 3.47Å; T57-T368 HydrophobicContact CG2-CG2 3.59Å; T57-F395 WeakPolarHBondContact OG1-CE1 3.36Å; T57-F395 WeakPolarHBondContact OG1-CZ 3.3Å
58	G	90	Very high	96.3	Very high	51 Å²	51	51.7 Å²	51.7	53%	0.526	31%	0.306	S	S	.	.			trans	75.7	-155.9	-176.8	0	0	0	0	0	113.5
59	K	94.2	Very high	96.4	Very high	95 Å²	95	48.8 Å²	48.8	41%	0.413	29%	0.288	S	S	.	.	S	Bend	trans	-78.8	148.3	-179.7	-65.8	-177.3	-172.8	140.3	0	111.8	R79 D90	K59-R79 PolarHBondContact O-NH1 2.92Å; K59-R79 PolarHBondContact O-NH2 3.23Å; K59-D90 VanDerWaalsContact CD-OD1 3.26Å; K59-D90 WeakPolarHBondContact CD-OD1 3.28Å; K59-D90 VanDerWaalsContact CE-OD1 3.26Å; K59-D90 WeakPolarHBondContact CE-OD1 3.35Å; K59-D90 IonicContact NZ-OD1 2.83Å; K59-D90 PolarHBondContact NZ-OD1 2.69Å; K59-D90 IonicContact NZ-OD2 2.75Å; K59-D90 PolarHBondContact NZ-OD2 2.92Å
60	V	96.6	Very high	96.6	Very high	15 Å²	15	45.6 Å²	45.6	9%	0.091	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.2	154.4	177	-59.1	0	0	0	0	113	E383 G387 E388 F395	V60-E383 HydrophobicContact CG1-CG 3.82Å; V60-G387 VanDerWaalsContact CG2-C 3.46Å; V60-E388 HydrophobicContact CG2-CB 4.48Å; V60-E388 HydrophobicContact CG2-CG 3.74Å; V60-F395 HydrophobicContact CG1-CD2 3.96Å; V60-F395 HydrophobicContact CG1-CE2 3.57Å; V60-F395 HydrophobicContact CG1-CZ 3.93Å
61	A	97.5	Very high	96.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-86.6	173.2	170.5	0	0	0	0	0	112	F72 E92 S385 G387	A61-F72 HydrophobicContact CB-CD1 3.57Å; A61-F72 HydrophobicContact CB-CE1 3.83Å; A61-E92 WeakPolarHBondContact CB-OE1 3.36Å; A61-S385 CarbonylContact O-C 3.43Å; A61-S385 VanDerWaalsContact O-C 3.31Å; A61-S385 WeakPolarHBondContact O-CA 3.17Å; A61-G387 PolarHBondContact O-N 3.25Å
62	N	98.3	Very high	96.7	Very high	63 Å²	63	39.8 Å²	39.8	34%	0.337	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-141	110.4	178.4	-166.3	-19.7	0	0	0	113.1	K64 S385 W386	N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 3.45Å; N62-K64 WeakPolarHBondContact OD1-CA 3.42Å; N62-K64 PolarHBondContact OD1-N 2.81Å; N62-S385 CarbonylContact C-O 3.44Å; N62-S385 VanDerWaalsContact CA-O 3.27Å; N62-S385 WeakPolarHBondContact CA-O 3.45Å; N62-W386 PolarHBondContact ND2-O 3.49Å
63	Q	98.2	Very high	96.7	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.051	21%	0.212	C	C	.	.			trans	-75.2	-16.5	178.1	79.4	-169.9	55	0	0	114	Q65 S66 C69 F72 S385	Q63-Q65 PolarHBondContact O-N 3.4Å; Q63-S66 PolarHBondContact NE2-O 3.35Å; Q63-S66 PolarHBondContact O-OG 3.06Å; Q63-C69 VanDerWaalsContact OE1-CA 3.25Å; Q63-C69 VanDerWaalsContact OE1-CB 3.25Å; Q63-F72 VanDerWaalsContact CA-CZ 3.42Å; Q63-F72 HydrophobicContact CB-CD1 4.38Å; Q63-F72 HydrophobicContact CB-CD2 3.72Å; Q63-F72 HydrophobicContact CB-CE1 4.25Å; Q63-F72 HydrophobicContact CB-CE2 3.54Å; Q63-F72 HydrophobicContact CB-CG 4.14Å; Q63-F72 HydrophobicContact CB-CZ 3.84Å; Q63-S385 PolarHBondContact N-O 3.42Å; Q63-S385 PolarHBondContact OE1-OG 3.47Å
64	K	98.4	Very high	96.7	Very high	122 Å²	122	35.2 Å²	35.2	53%	0.53	21%	0.205	S	C	.	.			trans	53.4	-127	-176.5	-59.8	174.2	-174.1	164.2	0	112.2	N62 S66 S166	N62-K64 VanDerWaalsContact C-N 3.3Å; N62-K64 PolarHBondContact O-N 3.45Å; N62-K64 WeakPolarHBondContact OD1-CA 3.42Å; N62-K64 PolarHBondContact OD1-N 2.81Å; K64-S66 VanDerWaalsContact C-N 3.31Å; K64-S66 PolarHBondContact O-N 3.36Å; K64-S166 VanDerWaalsContact CB-O 3.32Å; K64-S166 WeakPolarHBondContact CB-O 3.46Å; K64-S166 WeakPolarHBondContact CD-OG 3.42Å; K64-S166 PolarHBondContact NZ-OG 2.83Å
65	Q	98.3	Very high	96.8	Very high	138 Å²	138	31.3 Å²	31.3	65%	0.645	18%	0.184	S	C	*	.	B	Isolated β-bridge	trans	-96.4	51.7	-172.2	-60.3	178.3	-61.6	0	0	110.8	Q63 S166 N167 S168	Q63-Q65 PolarHBondContact O-N 3.4Å; Q65-S166 PolarHBondContact N-O 2.82Å; Q65-N167 HydrophobicContact CB-CB 4.15Å; Q65-N167 WeakPolarHBondContact O-CA 3.34Å; Q65-N167 PolarHBondContact OE1-ND2 2.98Å; Q65-S168 PolarHBondContact O-N 2.98Å
66	S	98.5	Very high	96.8	Very high	11 Å²	11	30.1 Å²	30.1	8%	0.077	18%	0.178	C	C	.	.	S	Bend	trans	-139.8	152.1	176.6	66.3	0	0	0	0	110.2	Q63 K64 R68 S165	Q63-S66 PolarHBondContact NE2-O 3.35Å; Q63-S66 PolarHBondContact O-OG 3.06Å; K64-S66 VanDerWaalsContact C-N 3.31Å; K64-S66 PolarHBondContact O-N 3.36Å; S66-R68 PolarHBondContact O-N 3.25Å; S66-R68 PolarHBondContact OG-NE 3.21Å; S66-R68 PolarHBondContact OG-NH2 2.82Å; S66-S165 WeakPolarHBondContact CB-O 3.39Å; S66-S165 PolarHBondContact OG-O 3.23Å
67	G	98.3	Very high	97.1	Very high	24 Å²	24	27 Å²	27	25%	0.247	15%	0.15	C	C	.	.	S	Bend	trans	-88.7	46.6	176.3	0	0	0	0	0	112.3	D137 G138	G67-D137 VanDerWaalsContact C-CB 3.5Å; G67-D137 PolarHBondContact N-OD2 3.5Å; G67-D137 CarbonylContact O-C 3.56Å; G67-D137 VanDerWaalsContact O-CB 3.24Å; G67-D137 WeakPolarHBondContact O-CB 3.4Å; G67-G138 WeakPolarHBondContact O-CA 3.3Å; G67-G138 PolarHBondContact O-N 3.24Å
68	R	98.7	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.			trans	-97.1	16.3	-173.9	-66.4	-176.4	-63.8	157.5	-0.5	113.2	S66 W70 M71 F72 Q95 F99 E161 S165	S66-R68 PolarHBondContact O-N 3.25Å; S66-R68 PolarHBondContact OG-NE 3.21Å; S66-R68 PolarHBondContact OG-NH2 2.82Å; R68-W70 VanDerWaalsContact C-N 3.27Å; R68-W70 PolarHBondContact O-N 2.82Å; R68-M71 HydrophobicContact CB-SD 4.28Å; R68-M71 HydrophobicContact CG-SD 4.13Å; R68-M71 WeakPolarHBondContact O-CB 3.25Å; R68-M71 PolarHBondContact O-N 3.14Å; R68-F72 HydrophobicContact CB-CD2 3.81Å; R68-F72 HydrophobicContact CB-CE2 3.86Å; R68-F72 VanDerWaalsContact O-CD2 3.3Å; R68-F72 WeakPolarHBondContact O-CD2 3.41Å; R68-F72 PolarHBondContact O-N 3.36Å; R68-Q95 PolarHBondContact NH1-O 3.46Å; R68-F99 VanDerWaalsContact CD-CD2 3.41Å; R68-F99 VanDerWaalsContact CD-CG 3.44Å; R68-F99 HydrophobicContact CG-CD2 3.69Å; R68-F99 HydrophobicContact CG-CE2 3.72Å; R68-F99 HydrophobicContact CG-CG 4.25Å; R68-F99 HydrophobicContact CG-CZ 4.32Å; R68-E161 IonicContact CZ-OE1 3.45Å; R68-E161 IonicContact CZ-OE2 2.68Å; R68-E161 IonicContact NH1-OE1 3.23Å; R68-E161 PolarHBondContact NH1-OE1 3.36Å; R68-E161 IonicContact NH1-OE2 3.24Å; R68-E161 PolarHBondContact NH1-OE2 3.43Å; R68-E161 IonicContact NH2-OE1 2.69Å; R68-E161 PolarHBondContact NH2-OE1 2.92Å; R68-E161 IonicContact NH2-OE2 2.78Å; R68-E161 PolarHBondContact NH2-OE2 2.69Å; R68-S165 PolarHBondContact NE-O 3.49Å; R68-S165 PolarHBondContact NH2-O 3.38Å
69	C	98.4	Very high	97.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.7	-40.4	-170.9	55.5	0	0	0	0	113.1	Q63 M71 F72 A73 H363 A364 A442	Q63-C69 VanDerWaalsContact OE1-CA 3.25Å; Q63-C69 VanDerWaalsContact OE1-CB 3.25Å; C69-M71 VanDerWaalsContact C-N 3.33Å; C69-M71 PolarHBondContact O-N 3.22Å; C69-F72 PolarHBondContact O-N 3.17Å; C69-A73 VanDerWaalsContact O-CB 3.31Å; C69-A73 WeakPolarHBondContact O-CB 3.42Å; C69-A73 PolarHBondContact O-N 3.24Å; C69-H363 WeakPolarHBondContact CB-CE1 3.37Å; C69-H363 WeakPolarHBondContact CB-ND1 3.3Å; C69-H363 PolarHBondContact SG-ND1 3.05Å; C69-H363 VanDerWaalsContact SG-ND1 3.4Å; C69-A364 WeakPolarHBondContact CB-O 3.49Å; C69-A364 PolarHBondContact SG-N 3.16Å; C69-A442 PolarHBondContact SG-OXT 3.19Å
70	W	98.4	Very high	97.2	Very high	1 Å²	1	21 Å²	21	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-40.7	175.9	66.8	-72.6	0	0	0	113	R68 A74 D102 D137 G138 G139 M143 I144 L147 W315 A364	R68-W70 VanDerWaalsContact C-N 3.27Å; R68-W70 PolarHBondContact O-N 2.82Å; W70-A74 WeakPolarHBondContact O-CB 3.33Å; W70-A74 PolarHBondContact O-N 3.45Å; W70-D102 WeakPolarHBondContact CH2-OD1 3.48Å; W70-D137 PolarHBondContact NE1-O 3.03Å; W70-G138 VanDerWaalsContact NE1-C 3.32Å; W70-G139 VanDerWaalsContact CD1-N 3.32Å; W70-G139 VanDerWaalsContact CD2-CA 3.41Å; W70-G139 VanDerWaalsContact CE2-CA 3.4Å; W70-G139 VanDerWaalsContact CE2-N 3.33Å; W70-M143 HydrophobicContact CH2-CB 4.2Å; W70-M143 HydrophobicContact CZ3-CB 3.85Å; W70-I144 HydrophobicContact CE3-CB 3.87Å; W70-I144 HydrophobicContact CE3-CD1 4.24Å; W70-I144 HydrophobicContact CH2-CD1 4.35Å; W70-I144 HydrophobicContact CZ3-CB 3.63Å; W70-I144 HydrophobicContact CZ3-CD1 3.88Å; W70-I144 HydrophobicContact CZ3-CG1 4.32Å; W70-L147 HydrophobicContact CH2-CD1 4.21Å; W70-W315 HydrophobicContact CB-CZ2 4.09Å; W70-W315 PolarHBondContact O-NE1 2.85Å; W70-A364 HydrophobicContact CB-CB 4.12Å
71	M	98.6	Very high	96.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.5	-44.9	175.1	-54.1	-178.4	179.2	0	0	111.3	R68 C69 A74 L75 F99 D102 I144	R68-M71 HydrophobicContact CB-SD 4.28Å; R68-M71 HydrophobicContact CG-SD 4.13Å; R68-M71 WeakPolarHBondContact O-CB 3.25Å; R68-M71 PolarHBondContact O-N 3.14Å; C69-M71 VanDerWaalsContact C-N 3.33Å; C69-M71 PolarHBondContact O-N 3.22Å; M71-A74 PolarHBondContact O-N 3.47Å; M71-L75 VanDerWaalsContact O-CB 3.31Å; M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 VanDerWaalsContact O-CG 3.23Å; M71-L75 WeakPolarHBondContact O-CG 3.44Å; M71-L75 PolarHBondContact O-N 3.21Å; M71-F99 HydrophobicContact CE-CB 4.37Å; M71-F99 HydrophobicContact CE-CD2 3.86Å; M71-F99 HydrophobicContact SD-CB 3.91Å; M71-F99 HydrophobicContact SD-CD2 4.11Å; M71-D102 HydrophobicContact CE-CB 3.59Å; M71-D102 WeakPolarHBondContact CE-OD2 3.37Å; M71-I144 HydrophobicContact CB-CD1 4.34Å; M71-I144 HydrophobicContact CG-CD1 4Å
72	F	98.6	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-46.4	179.1	-86.1	-103.2	0	0	0	110.8	A61 Q63 R68 C69 L75 N76 Q95	A61-F72 HydrophobicContact CB-CD1 3.57Å; A61-F72 HydrophobicContact CB-CE1 3.83Å; Q63-F72 VanDerWaalsContact CA-CZ 3.42Å; Q63-F72 HydrophobicContact CB-CD1 4.38Å; Q63-F72 HydrophobicContact CB-CD2 3.72Å; Q63-F72 HydrophobicContact CB-CE1 4.25Å; Q63-F72 HydrophobicContact CB-CE2 3.54Å; Q63-F72 HydrophobicContact CB-CG 4.14Å; Q63-F72 HydrophobicContact CB-CZ 3.84Å; R68-F72 HydrophobicContact CB-CD2 3.81Å; R68-F72 HydrophobicContact CB-CE2 3.86Å; R68-F72 VanDerWaalsContact O-CD2 3.3Å; R68-F72 WeakPolarHBondContact O-CD2 3.41Å; R68-F72 PolarHBondContact O-N 3.36Å; C69-F72 PolarHBondContact O-N 3.17Å; F72-L75 PolarHBondContact O-N 3.35Å; F72-N76 VanDerWaalsContact O-CB 3.3Å; F72-N76 WeakPolarHBondContact O-CB 3.29Å; F72-N76 PolarHBondContact O-N 2.78Å; F72-N76 PolarHBondContact O-OD1 3.49Å; F72-Q95 HydrophobicContact CD1-CG 3.8Å; F72-Q95 HydrophobicContact CD2-CB 3.93Å; F72-Q95 HydrophobicContact CD2-CG 3.77Å; F72-Q95 HydrophobicContact CE1-CB 4.27Å; F72-Q95 VanDerWaalsContact CE1-CD 3.44Å; F72-Q95 HydrophobicContact CE1-CG 3.61Å; F72-Q95 HydrophobicContact CE2-CB 3.43Å; F72-Q95 VanDerWaalsContact CE2-CB 3.43Å; F72-Q95 HydrophobicContact CE2-CG 3.59Å; F72-Q95 HydrophobicContact CG-CG 3.89Å; F72-Q95 HydrophobicContact CZ-CB 3.61Å; F72-Q95 HydrophobicContact CZ-CG 3.49Å; F72-Q95 VanDerWaalsContact CZ-CG 3.49Å
73	A	98.3	Very high	96.4	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-61.7	-45.6	177.6	0	0	0	0	0	111.7	C69 N76 T77 W315 A364 V366	C69-A73 VanDerWaalsContact O-CB 3.31Å; C69-A73 WeakPolarHBondContact O-CB 3.42Å; C69-A73 PolarHBondContact O-N 3.24Å; A73-N76 WeakPolarHBondContact O-CB 3.49Å; A73-N76 PolarHBondContact O-N 3.5Å; A73-T77 PolarHBondContact O-N 3.27Å; A73-T77 VanDerWaalsContact O-N 3.17Å; A73-W315 HydrophobicContact CB-CG 4.34Å; A73-A364 HydrophobicContact CB-CB 4.38Å; A73-V366 HydrophobicContact CB-CG2 3.73Å; A73-V366 VanDerWaalsContact O-CG2 3.25Å; A73-V366 WeakPolarHBondContact O-CG2 3.22Å
74	A	97.8	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-40.4	179	0	0	0	0	0	112.4	W70 M71 N76 T77 W141 I144 F148	W70-A74 WeakPolarHBondContact O-CB 3.33Å; W70-A74 PolarHBondContact O-N 3.45Å; M71-A74 PolarHBondContact O-N 3.47Å; A74-N76 VanDerWaalsContact C-N 3.29Å; A74-N76 PolarHBondContact O-N 3.13Å; A74-T77 PolarHBondContact O-N 3.45Å; A74-T77 PolarHBondContact O-OG1 2.95Å; A74-W141 HydrophobicContact CB-CE3 4.45Å; A74-W141 HydrophobicContact CB-CZ3 3.95Å; A74-I144 HydrophobicContact CB-CG1 4.15Å; A74-I144 HydrophobicContact CB-CG2 3.83Å; A74-F148 HydrophobicContact CB-CE2 4.25Å; A74-F148 HydrophobicContact CB-CZ 4.36Å
75	L	97.9	Very high	95.4	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-69.7	-29.6	176	-69.8	170.8	0	0	0	112	M71 F72 R79 L93 Q95 T98 F148 V153	M71-L75 VanDerWaalsContact O-CB 3.31Å; M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 VanDerWaalsContact O-CG 3.23Å; M71-L75 WeakPolarHBondContact O-CG 3.44Å; M71-L75 PolarHBondContact O-N 3.21Å; F72-L75 PolarHBondContact O-N 3.35Å; L75-R79 WeakPolarHBondContact O-CB 3.34Å; L75-R79 PolarHBondContact O-N 3.03Å; L75-L93 HydrophobicContact CB-CB 4.31Å; L75-L93 HydrophobicContact CB-CD1 4.47Å; L75-L93 HydrophobicContact CD1-CB 4.43Å; L75-L93 HydrophobicContact CD2-CB 3.77Å; L75-L93 HydrophobicContact CD2-CD1 3.66Å; L75-L93 HydrophobicContact CD2-CG 4.35Å; L75-L93 HydrophobicContact CG-CB 4.4Å; L75-Q95 HydrophobicContact CD1-CB 4.13Å; L75-Q95 HydrophobicContact CD1-CG 3.69Å; L75-T98 HydrophobicContact CD1-CG2 4.25Å; L75-T98 HydrophobicContact CD2-CG2 4.48Å; L75-F148 HydrophobicContact CD2-CE1 3.61Å; L75-F148 HydrophobicContact CD2-CZ 3.61Å; L75-F148 HydrophobicContact CG-CE1 4.39Å; L75-F148 HydrophobicContact CG-CZ 4.1Å; L75-V153 HydrophobicContact CD2-CG1 4.11Å
76	N	97.2	Very high	95.1	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-65.4	-41.2	174.2	-80.3	-3.7	0	0	0	111.9	F72 A73 A74 F78 R79 H80 V366 E383	F72-N76 VanDerWaalsContact O-CB 3.3Å; F72-N76 WeakPolarHBondContact O-CB 3.29Å; F72-N76 PolarHBondContact O-N 2.78Å; F72-N76 PolarHBondContact O-OD1 3.49Å; A73-N76 WeakPolarHBondContact O-CB 3.49Å; A73-N76 PolarHBondContact O-N 3.5Å; A74-N76 VanDerWaalsContact C-N 3.29Å; A74-N76 PolarHBondContact O-N 3.13Å; N76-F78 VanDerWaalsContact C-N 3.31Å; N76-F78 PolarHBondContact O-N 3.45Å; N76-R79 WeakPolarHBondContact O-CB 3.49Å; N76-R79 PolarHBondContact O-N 3.04Å; N76-R79 VanDerWaalsContact O-N 3.11Å; N76-R79 PolarHBondContact OD1-NE 2.92Å; N76-H80 PolarHBondContact O-CD2 3.39Å; N76-H80 PolarHBondContact O-CE1 3.48Å; N76-H80 VanDerWaalsContact O-CE1 3.32Å; N76-H80 PolarHBondContact O-N 3.19Å; N76-H80 PolarHBondContact O-ND1 2.9Å; N76-H80 PolarHBondContact O-NE2 3.41Å; N76-V366 HydrophobicContact CB-CG2 3.96Å; N76-E383 WeakPolarHBondContact CB-OE2 3.48Å; N76-E383 PolarHBondContact ND2-OE1 2.81Å; N76-E383 PolarHBondContact ND2-OE2 3.33Å
77	T	95.5	Very high	94.8	Very high	20 Å²	20	23.8 Å²	23.8	12%	0.123	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-42.4	177.9	63.3	0	0	0	0	111.7	A73 A74 W315 V366	A73-T77 PolarHBondContact O-N 3.27Å; A73-T77 VanDerWaalsContact O-N 3.17Å; A74-T77 PolarHBondContact O-N 3.45Å; A74-T77 PolarHBondContact O-OG1 2.95Å; T77-W315 HydrophobicContact CG2-CB 4.32Å; T77-V366 HydrophobicContact CG2-CG1 3.96Å; T77-V366 HydrophobicContact CG2-CG2 4.25Å
78	F	93.7	Very high	94.4	Very high	8 Å²	8	23 Å²	23	4%	0.035	12%	0.121	C	C	.	.	H	α-helix	trans	-66.5	-43	173.7	-59.2	-15.8	0	0	0	112.1	N76 H80 K81 L82 L93 F148 Y248 V252 L256	N76-F78 VanDerWaalsContact C-N 3.31Å; N76-F78 PolarHBondContact O-N 3.45Å; F78-H80 VanDerWaalsContact C-N 3.27Å; F78-H80 PolarHBondContact O-N 2.76Å; F78-K81 WeakPolarHBondContact O-CB 3.42Å; F78-K81 PolarHBondContact O-N 2.87Å; F78-L82 WeakPolarHBondContact O-CG 3.31Å; F78-L82 PolarHBondContact O-N 3.49Å; F78-L93 HydrophobicContact CB-CD1 3.94Å; F78-L93 HydrophobicContact CD2-CD1 4.22Å; F78-F148 HydrophobicContact CD2-CE2 4.33Å; F78-F148 HydrophobicContact CD2-CZ 4.39Å; F78-F148 AromaticContact CE2-CD2 3.57Å; F78-F148 HydrophobicContact CE2-CD2 3.57Å; F78-F148 HydrophobicContact CE2-CE1 4.31Å; F78-F148 AromaticContact CE2-CE2 3.27Å; F78-F148 HydrophobicContact CE2-CE2 3.27Å; F78-F148 HydrophobicContact CE2-CG 4.2Å; F78-F148 AromaticContact CE2-CZ 3.68Å; F78-F148 HydrophobicContact CE2-CZ 3.68Å; F78-F148 AromaticContact CZ-CD2 3.78Å; F78-F148 HydrophobicContact CZ-CD2 3.78Å; F78-F148 AromaticContact CZ-CE2 3.59Å; F78-F148 HydrophobicContact CZ-CE2 3.59Å; F78-F148 HydrophobicContact CZ-CZ 4.41Å; F78-Y248 HydrophobicContact CE2-CE2 4.2Å; F78-V252 HydrophobicContact CB-CG1 4.18Å; F78-V252 HydrophobicContact CB-CG2 4.45Å; F78-V252 HydrophobicContact CD1-CG1 3.92Å; F78-V252 HydrophobicContact CD2-CG1 3.78Å; F78-V252 HydrophobicContact CD2-CG2 4.21Å; F78-V252 HydrophobicContact CE1-CG1 4.27Å; F78-V252 HydrophobicContact CE2-CG1 4.11Å; F78-V252 HydrophobicContact CG-CG1 3.69Å; F78-V252 HydrophobicContact CG-CG2 4.5Å; F78-V252 HydrophobicContact CZ-CG1 4.37Å; F78-L256 HydrophobicContact CE1-CD2 3.7Å; F78-L256 HydrophobicContact CZ-CD1 3.92Å; F78-L256 HydrophobicContact CZ-CD2 3.56Å; F78-L256 HydrophobicContact CZ-CG 4.27Å
79	R	92.9	Very high	93.7	Very high	5 Å²	5	30 Å²	30	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-40	-180	-174.2	-173.8	80	108.7	-6.2	111.5	T57 K59 L75 N76 K81 L82 L83 F91 E383	T57-R79 PolarHBondContact O-NH2 2.65Å; K59-R79 PolarHBondContact O-NH1 2.92Å; K59-R79 PolarHBondContact O-NH2 3.23Å; L75-R79 WeakPolarHBondContact O-CB 3.34Å; L75-R79 PolarHBondContact O-N 3.03Å; N76-R79 WeakPolarHBondContact O-CB 3.49Å; N76-R79 PolarHBondContact O-N 3.04Å; N76-R79 VanDerWaalsContact O-N 3.11Å; N76-R79 PolarHBondContact OD1-NE 2.92Å; R79-K81 PolarHBondContact O-N 2.83Å; R79-L82 PolarHBondContact O-N 3.03Å; R79-L82 VanDerWaalsContact O-N 3.17Å; R79-L83 HydrophobicContact CG-CD1 4.26Å; R79-L83 HydrophobicContact CG-CG 4.31Å; R79-L83 VanDerWaalsContact O-CG 3.23Å; R79-L83 WeakPolarHBondContact O-CG 3.45Å; R79-L83 PolarHBondContact O-N 3.46Å; R79-F91 WeakPolarHBondContact CD-O 3.39Å; R79-F91 HydrophobicContact CG-CD1 4.28Å; R79-F91 WeakPolarHBondContact CG-O 3.08Å; R79-E383 IonicContact CZ-OE1 2.57Å; R79-E383 IonicContact NH2-OE1 2.87Å; R79-E383 PolarHBondContact NH2-OE1 2.64Å
80	H	91.4	Very high	93	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-58.4	-48.2	177.2	-56.7	152.3	0	0	0	111.6	T57 N76 F78 L82 L83 T84 S313 E383	T57-H80 VanDerWaalsContact CB-CD2 3.44Å; T57-H80 WeakPolarHBondContact CB-CD2 3.28Å; T57-H80 WeakPolarHBondContact CB-NE2 3.37Å; N76-H80 PolarHBondContact O-CD2 3.39Å; N76-H80 PolarHBondContact O-CE1 3.48Å; N76-H80 VanDerWaalsContact O-CE1 3.32Å; N76-H80 PolarHBondContact O-N 3.19Å; N76-H80 PolarHBondContact O-ND1 2.9Å; N76-H80 PolarHBondContact O-NE2 3.41Å; F78-H80 VanDerWaalsContact C-N 3.27Å; F78-H80 PolarHBondContact O-N 2.76Å; H80-L82 PolarHBondContact O-N 2.58Å; H80-L83 PolarHBondContact O-N 2.74Å; H80-T84 PolarHBondContact O-N 3Å; H80-T84 PolarHBondContact O-OG1 3.31Å; H80-S313 PolarHBondContact ND1-OG 2.7Å; H80-E383 IonicContact CE1-OE2 3.6Å; H80-E383 PolarHBondContact CE1-OE2 3.11Å; H80-E383 IonicContact NE2-OE1 3.04Å; H80-E383 IonicContact NE2-OE2 3.9Å; H80-E383 PolarHBondContact NE2-OE2 2.97Å
81	K	90.7	Very high	92.8	Very high	79 Å²	79	35 Å²	35	34%	0.343	18%	0.178	S	C	.	.	H	α-helix	trans	-57.5	-47.8	173.6	-175.9	-175.1	177.4	-167.4	0	111.1	F78 R79 L83 T84 T85 V252 D253 V254	F78-K81 WeakPolarHBondContact O-CB 3.42Å; F78-K81 PolarHBondContact O-N 2.87Å; R79-K81 PolarHBondContact O-N 2.83Å; K81-L83 PolarHBondContact O-N 2.95Å; K81-T84 PolarHBondContact O-N 2.98Å; K81-T85 WeakPolarHBondContact O-CB 3.46Å; K81-T85 PolarHBondContact O-N 2.79Å; K81-T85 PolarHBondContact O-OG1 3.42Å; K81-T85 VanDerWaalsContact O-OG1 3.05Å; K81-V252 PolarHBondContact NZ-O 3.49Å; K81-D253 PolarHBondContact NZ-O 3.34Å; K81-V254 HydrophobicContact CD-CG2 4.18Å
82	L	92.3	Very high	92.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-42.7	-178.3	-69.1	174	0	0	0	113.5	F78 R79 H80 T84 F86 L88 F91 L93 Y251	F78-L82 WeakPolarHBondContact O-CG 3.31Å; F78-L82 PolarHBondContact O-N 3.49Å; R79-L82 PolarHBondContact O-N 3.03Å; R79-L82 VanDerWaalsContact O-N 3.17Å; H80-L82 PolarHBondContact O-N 2.58Å; L82-T84 VanDerWaalsContact C-N 3.28Å; L82-T84 PolarHBondContact O-N 3.2Å; L82-F86 HydrophobicContact CD2-CD2 3.8Å; L82-F86 HydrophobicContact CD2-CE2 3.74Å; L82-F86 PolarHBondContact O-N 2.65Å; L82-L88 HydrophobicContact CB-CD1 4.27Å; L82-F91 HydrophobicContact CD1-CD1 4.31Å; L82-F91 HydrophobicContact CD1-CE1 3.57Å; L82-F91 HydrophobicContact CD1-CZ 4.35Å; L82-L93 HydrophobicContact CD1-CD1 4.22Å; L82-L93 HydrophobicContact CD1-CD2 4.22Å; L82-L93 HydrophobicContact CD1-CG 4.36Å; L82-Y251 VanDerWaalsContact CD2-C 3.5Å; L82-Y251 WeakPolarHBondContact CD2-O 3.38Å
83	L	91.5	Very high	92.7	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.115	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-43.5	177.8	-69	170.3	0	0	0	110.4	T57 R79 H80 K81 Q87 L88 F91	T57-L83 WeakPolarHBondContact O-CD1 3.47Å; R79-L83 HydrophobicContact CG-CD1 4.26Å; R79-L83 HydrophobicContact CG-CG 4.31Å; R79-L83 VanDerWaalsContact O-CG 3.23Å; R79-L83 WeakPolarHBondContact O-CG 3.45Å; R79-L83 PolarHBondContact O-N 3.46Å; H80-L83 PolarHBondContact O-N 2.74Å; K81-L83 PolarHBondContact O-N 2.95Å; L83-Q87 WeakPolarHBondContact O-CA 3.41Å; L83-Q87 PolarHBondContact O-N 2.88Å; L83-Q87 VanDerWaalsContact O-N 3.09Å; L83-L88 HydrophobicContact CD2-CB 4.11Å; L83-L88 WeakPolarHBondContact CD2-O 3.46Å; L83-L88 PolarHBondContact O-N 2.92Å; L83-F91 HydrophobicContact CD2-CB 3.96Å
84	T	87.1	Confident	92.7	Very high	102 Å²	102	37.2 Å²	37.2	63%	0.626	19%	0.188	S	C	*	.	H	α-helix	trans	-74.9	-48.6	179.2	-52.1	0	0	0	0	112.7	H80 K81 L82 F86	H80-T84 PolarHBondContact O-N 3Å; H80-T84 PolarHBondContact O-OG1 3.31Å; K81-T84 PolarHBondContact O-N 2.98Å; L82-T84 VanDerWaalsContact C-N 3.28Å; L82-T84 PolarHBondContact O-N 3.2Å; T84-F86 PolarHBondContact O-N 2.87Å
85	T	90.2	Very high	92.8	Very high	88 Å²	88	37.2 Å²	37.2	54%	0.54	19%	0.188	S	C	.	.	H	α-helix	trans	-66.8	-38.2	-174.4	-60	0	0	0	0	112.8	K81	K81-T85 WeakPolarHBondContact O-CB 3.46Å; K81-T85 PolarHBondContact O-N 2.79Å; K81-T85 PolarHBondContact O-OG1 3.42Å; K81-T85 VanDerWaalsContact O-OG1 3.05Å
86	F	91.9	Very high	92.8	Very high	51 Å²	51	37.1 Å²	37.1	22%	0.224	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	6.7	-175.5	-63.3	-81.3	0	0	0	113.5	L82 T84 L88 Y251	L82-F86 HydrophobicContact CD2-CD2 3.8Å; L82-F86 HydrophobicContact CD2-CE2 3.74Å; L82-F86 PolarHBondContact O-N 2.65Å; T84-F86 PolarHBondContact O-N 2.87Å; F86-L88 HydrophobicContact CB-CD1 4.17Å; F86-L88 HydrophobicContact CB-CD2 4.08Å; F86-L88 HydrophobicContact CB-CG 3.75Å; F86-L88 PolarHBondContact O-N 3.44Å; F86-Y251 HydrophobicContact CD1-CD1 4.18Å; F86-Y251 HydrophobicContact CD1-CE1 4.1Å; F86-Y251 HydrophobicContact CD2-CD1 4.07Å; F86-Y251 AromaticContact CE1-CD1 3.77Å; F86-Y251 HydrophobicContact CE1-CD1 3.77Å; F86-Y251 AromaticContact CE1-CE1 3.81Å; F86-Y251 HydrophobicContact CE1-CE1 3.81Å; F86-Y251 AromaticContact CE2-CD1 3.66Å; F86-Y251 HydrophobicContact CE2-CD1 3.66Å; F86-Y251 HydrophobicContact CE2-CE1 4.49Å; F86-Y251 HydrophobicContact CE2-CG 4.43Å; F86-Y251 HydrophobicContact CG-CD1 4.32Å; F86-Y251 AromaticContact CZ-CD1 3.49Å; F86-Y251 HydrophobicContact CZ-CD1 3.49Å; F86-Y251 VanDerWaalsContact CZ-CD1 3.49Å; F86-Y251 HydrophobicContact CZ-CE1 4.02Å; F86-Y251 HydrophobicContact CZ-CG 4.3Å
87	Q	91.2	Very high	92.9	Very high	76 Å²	76	37.4 Å²	37.4	36%	0.355	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	44.1	-178.5	-57.6	178.3	32.6	0	0	111.7	L83 D231 E232	L83-Q87 WeakPolarHBondContact O-CA 3.41Å; L83-Q87 PolarHBondContact O-N 2.88Å; L83-Q87 VanDerWaalsContact O-N 3.09Å; Q87-D231 HydrophobicContact CB-CB 4.1Å; Q87-D231 CarbonylContact O-C 3.47Å; Q87-D231 VanDerWaalsContact O-CA 3.23Å; Q87-D231 WeakPolarHBondContact O-CA 3.32Å; Q87-E232 HydrophobicContact CB-CB 4.4Å; Q87-E232 HydrophobicContact CB-CG 4.37Å; Q87-E232 WeakPolarHBondContact O-CG 3.15Å; Q87-E232 PolarHBondContact O-N 3.14Å
88	L	91	Very high	93.1	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-80.4	136	-178.5	-59.4	175.4	0	0	0	109.6	L82 L83 F86 F91 F227 Y229	L82-L88 HydrophobicContact CB-CD1 4.27Å; L83-L88 HydrophobicContact CD2-CB 4.11Å; L83-L88 WeakPolarHBondContact CD2-O 3.46Å; L83-L88 PolarHBondContact O-N 2.92Å; F86-L88 HydrophobicContact CB-CD1 4.17Å; F86-L88 HydrophobicContact CB-CD2 4.08Å; F86-L88 HydrophobicContact CB-CG 3.75Å; F86-L88 PolarHBondContact O-N 3.44Å; L88-F91 HydrophobicContact CB-CB 3.76Å; L88-F91 HydrophobicContact CB-CG 4.4Å; L88-F91 HydrophobicContact CD1-CB 3.93Å; L88-F91 HydrophobicContact CD1-CD1 3.88Å; L88-F91 HydrophobicContact CD1-CD2 3.88Å; L88-F91 HydrophobicContact CD1-CE1 4.37Å; L88-F91 HydrophobicContact CD1-CE2 4.35Å; L88-F91 HydrophobicContact CD1-CG 3.62Å; L88-F91 HydrophobicContact CG-CB 4.45Å; L88-F227 HydrophobicContact CD2-CZ 4.48Å; L88-Y229 HydrophobicContact CD2-CD1 4.2Å; L88-Y229 HydrophobicContact CD2-CD2 3.12Å; L88-Y229 HydrophobicContact CD2-CE1 4.3Å; L88-Y229 HydrophobicContact CD2-CE2 3.24Å; L88-Y229 HydrophobicContact CD2-CG 3.64Å
89	K	84	Confident	93.3	Very high	148 Å²	148	36.2 Å²	36.2	64%	0.643	18%	0.182	S	C	*	.	S	Bend	trans	-98.4	129.2	172.2	-173.3	176.7	-179.1	175.6	0	110.8	F91	K89-F91 PolarHBondContact O-N 3.12Å
90	D	83.9	Confident	93.6	Very high	86 Å²	86	36 Å²	36	46%	0.46	18%	0.181	S	C	.	.	S	Bend	trans	53	38.3	173.7	-64	-40.9	0	0	0	113.4	K59	K59-D90 VanDerWaalsContact CD-OD1 3.26Å; K59-D90 WeakPolarHBondContact CD-OD1 3.28Å; K59-D90 VanDerWaalsContact CE-OD1 3.26Å; K59-D90 WeakPolarHBondContact CE-OD1 3.35Å; K59-D90 IonicContact NZ-OD1 2.83Å; K59-D90 PolarHBondContact NZ-OD1 2.69Å; K59-D90 IonicContact NZ-OD2 2.75Å; K59-D90 PolarHBondContact NZ-OD2 2.92Å
91	F	94	Very high	94	Very high	20 Å²	20	37 Å²	37	9%	0.088	18%	0.184	C	C	.	.			trans	-83.8	147	179.8	176.5	-97.3	0	0	0	112.4	R79 L82 L83 L88 K89 L93 P155 F227 F247	R79-F91 WeakPolarHBondContact CD-O 3.39Å; R79-F91 HydrophobicContact CG-CD1 4.28Å; R79-F91 WeakPolarHBondContact CG-O 3.08Å; L82-F91 HydrophobicContact CD1-CD1 4.31Å; L82-F91 HydrophobicContact CD1-CE1 3.57Å; L82-F91 HydrophobicContact CD1-CZ 4.35Å; L83-F91 HydrophobicContact CD2-CB 3.96Å; L88-F91 HydrophobicContact CB-CB 3.76Å; L88-F91 HydrophobicContact CB-CG 4.4Å; L88-F91 HydrophobicContact CD1-CB 3.93Å; L88-F91 HydrophobicContact CD1-CD1 3.88Å; L88-F91 HydrophobicContact CD1-CD2 3.88Å; L88-F91 HydrophobicContact CD1-CE1 4.37Å; L88-F91 HydrophobicContact CD1-CE2 4.35Å; L88-F91 HydrophobicContact CD1-CG 3.62Å; L88-F91 HydrophobicContact CG-CB 4.45Å; K89-F91 PolarHBondContact O-N 3.12Å; F91-L93 HydrophobicContact CE1-CD2 3.75Å; F91-L93 HydrophobicContact CE1-CG 3.88Å; F91-L93 HydrophobicContact CZ-CD2 3.7Å; F91-L93 HydrophobicContact CZ-CG 4.29Å; F91-P155 HydrophobicContact CE2-CB 3.94Å; F91-P155 HydrophobicContact CE2-CG 4.2Å; F91-P155 HydrophobicContact CZ-CB 4.35Å; F91-P155 HydrophobicContact CZ-CG 4.42Å; F91-F227 HydrophobicContact CD2-CE2 4.35Å; F91-F227 HydrophobicContact CD2-CZ 4.18Å; F91-F227 AromaticContact CE2-CE2 3.81Å; F91-F227 HydrophobicContact CE2-CE2 3.81Å; F91-F227 AromaticContact CE2-CZ 3.69Å; F91-F227 HydrophobicContact CE2-CZ 3.69Å; F91-F247 HydrophobicContact CZ-CZ 4.05Å
92	E	97.1	Very high	94.3	Very high	46 Å²	46	33.3 Å²	33.3	22%	0.215	17%	0.168	C	C	.	.			trans	-141	146.7	171.1	-74.7	-172.9	77.1	0	0	110.3	A61 Q95 K156	A61-E92 WeakPolarHBondContact CB-OE1 3.36Å; E92-Q95 PolarHBondContact OE1-NE2 3.2Å; E92-K156 HydrophobicContact CB-CB 3.9Å; E92-K156 HydrophobicContact CB-CD 3.78Å; E92-K156 HydrophobicContact CB-CG 4.46Å; E92-K156 VanDerWaalsContact CD-NZ 3.34Å; E92-K156 HydrophobicContact CG-CD 4.33Å; E92-K156 WeakPolarHBondContact O-CB 3.26Å; E92-K156 PolarHBondContact O-N 2.66Å; E92-K156 IonicContact OE1-NZ 2.83Å; E92-K156 PolarHBondContact OE1-NZ 3.14Å; E92-K156 VanDerWaalsContact OE2-CD 3.29Å; E92-K156 WeakPolarHBondContact OE2-CD 3.43Å; E92-K156 WeakPolarHBondContact OE2-CE 3.25Å; E92-K156 IonicContact OE2-NZ 2.66Å; E92-K156 PolarHBondContact OE2-NZ 3.21Å
93	L	97.8	Very high	94.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-82.8	154.2	164.4	-64.8	169.3	0	0	0	110.2	L75 F78 L82 F91 Q95 V153 V154 F247	L75-L93 HydrophobicContact CB-CB 4.31Å; L75-L93 HydrophobicContact CB-CD1 4.47Å; L75-L93 HydrophobicContact CD1-CB 4.43Å; L75-L93 HydrophobicContact CD2-CB 3.77Å; L75-L93 HydrophobicContact CD2-CD1 3.66Å; L75-L93 HydrophobicContact CD2-CG 4.35Å; L75-L93 HydrophobicContact CG-CB 4.4Å; F78-L93 HydrophobicContact CB-CD1 3.94Å; F78-L93 HydrophobicContact CD2-CD1 4.22Å; L82-L93 HydrophobicContact CD1-CD1 4.22Å; L82-L93 HydrophobicContact CD1-CD2 4.22Å; L82-L93 HydrophobicContact CD1-CG 4.36Å; F91-L93 HydrophobicContact CE1-CD2 3.75Å; F91-L93 HydrophobicContact CE1-CG 3.88Å; F91-L93 HydrophobicContact CZ-CD2 3.7Å; F91-L93 HydrophobicContact CZ-CG 4.29Å; L93-Q95 VanDerWaalsContact O-CD 3.25Å; L93-Q95 PolarHBondContact O-N 3.41Å; L93-Q95 PolarHBondContact O-NE2 3Å; L93-Q95 PolarHBondContact O-OE1 3.27Å; L93-V153 HydrophobicContact CD1-CG2 4.39Å; L93-V153 HydrophobicContact CD2-CB 4.36Å; L93-V153 HydrophobicContact CD2-CG2 3.95Å; L93-V154 CarbonylContact C-O 3.43Å; L93-F247 HydrophobicContact CD2-CE1 3.68Å; L93-F247 HydrophobicContact CD2-CZ 4.22Å
94	S	98.6	Very high	95	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	17%	0.172	C	C	.	.			trans	-74.3	107.8	-179.2	-179.2	0	0	0	0	111.5	N96 Y97 V154 M159	S94-N96 PolarHBondContact O-N 3.09Å; S94-N96 PolarHBondContact OG-N 3.31Å; S94-Y97 PolarHBondContact O-N 3.37Å; S94-Y97 PolarHBondContact OG-N 2.96Å; S94-V154 PolarHBondContact N-O 2.91Å; S94-M159 WeakPolarHBondContact CB-O 3.49Å; S94-M159 PolarHBondContact OG-O 3.5Å
95	Q	98.8	Very high	95.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-73.5	-18.5	170.3	-49.2	91.5	-6.2	0	0	112.2	R68 F72 L75 E92 L93 T98 F99	R68-Q95 PolarHBondContact NH1-O 3.46Å; F72-Q95 HydrophobicContact CD1-CG 3.8Å; F72-Q95 HydrophobicContact CD2-CB 3.93Å; F72-Q95 HydrophobicContact CD2-CG 3.77Å; F72-Q95 HydrophobicContact CE1-CB 4.27Å; F72-Q95 VanDerWaalsContact CE1-CD 3.44Å; F72-Q95 HydrophobicContact CE1-CG 3.61Å; F72-Q95 HydrophobicContact CE2-CB 3.43Å; F72-Q95 VanDerWaalsContact CE2-CB 3.43Å; F72-Q95 HydrophobicContact CE2-CG 3.59Å; F72-Q95 HydrophobicContact CG-CG 3.89Å; F72-Q95 HydrophobicContact CZ-CB 3.61Å; F72-Q95 HydrophobicContact CZ-CG 3.49Å; F72-Q95 VanDerWaalsContact CZ-CG 3.49Å; L75-Q95 HydrophobicContact CD1-CB 4.13Å; L75-Q95 HydrophobicContact CD1-CG 3.69Å; E92-Q95 PolarHBondContact OE1-NE2 3.2Å; L93-Q95 VanDerWaalsContact O-CD 3.25Å; L93-Q95 PolarHBondContact O-N 3.41Å; L93-Q95 PolarHBondContact O-NE2 3Å; L93-Q95 PolarHBondContact O-OE1 3.27Å; Q95-T98 PolarHBondContact O-OG1 3.42Å; Q95-F99 WeakPolarHBondContact O-CB 3.44Å; Q95-F99 PolarHBondContact O-N 3.02Å
96	N	98.8	Very high	96	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-75	-33.1	173.9	-171.7	27.8	0	0	0	111.2	S94 F99 F100 M159 P160 S165 L218	S94-N96 PolarHBondContact O-N 3.09Å; S94-N96 PolarHBondContact OG-N 3.31Å; N96-F99 PolarHBondContact O-N 2.88Å; N96-F100 PolarHBondContact O-N 3.21Å; N96-M159 HydrophobicContact CB-CG 4.5Å; N96-P160 PolarHBondContact ND2-O 3.04Å; N96-S165 WeakPolarHBondContact OD1-CB 3.35Å; N96-L218 PolarHBondContact ND2-O 3.26Å
97	Y	98.9	Very high	96.3	Very high	8 Å²	8	23.9 Å²	23.9	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-51.3	177.1	-174.8	-93.4	0	0	0	112.2	S94 F99 F100 W101 Y151 V154 M159 P221 P222 P244	S94-Y97 PolarHBondContact O-N 3.37Å; S94-Y97 PolarHBondContact OG-N 2.96Å; Y97-F99 VanDerWaalsContact C-N 3.3Å; Y97-F99 PolarHBondContact O-N 2.99Å; Y97-F100 PolarHBondContact O-N 3.22Å; Y97-W101 AromaticContact CD1-CD1 3.95Å; Y97-W101 AromaticContact CE1-CD1 3.56Å; Y97-W101 AromaticContact CE1-NE1 3.55Å; Y97-W101 AromaticContact CE2-NE1 3.53Å; Y97-W101 AromaticContact CZ-CD1 3.69Å; Y97-W101 AromaticContact CZ-NE1 3.14Å; Y97-W101 VanDerWaalsContact O-CD1 3.28Å; Y97-W101 PolarHBondContact O-N 2.9Å; Y97-W101 PolarHBondContact OH-NE1 3.11Å; Y97-W101 VanDerWaalsContact OH-NE1 3.14Å; Y97-Y151 WeakPolarHBondContact CE1-O 3.42Å; Y97-Y151 PolarHBondContact OH-O 3.46Å; Y97-V154 HydrophobicContact CD1-CG2 4.46Å; Y97-V154 HydrophobicContact CD2-CG1 4.05Å; Y97-V154 HydrophobicContact CD2-CG2 3.72Å; Y97-V154 HydrophobicContact CE2-CG1 3.98Å; Y97-V154 HydrophobicContact CE2-CG2 4.48Å; Y97-V154 HydrophobicContact CG-CG1 4.38Å; Y97-V154 HydrophobicContact CG-CG2 3.72Å; Y97-M159 VanDerWaalsContact CA-SD 3.58Å; Y97-M159 HydrophobicContact CD2-SD 3.68Å; Y97-M159 HydrophobicContact CG-SD 4.26Å; Y97-P221 HydrophobicContact CD2-CB 4.33Å; Y97-P221 HydrophobicContact CE2-CB 3.96Å; Y97-P222 HydrophobicContact CD2-CG 4.43Å; Y97-P222 HydrophobicContact CE2-CG 4.4Å; Y97-P244 HydrophobicContact CE1-CB 4.22Å; Y97-P244 HydrophobicContact CE2-CB 4.44Å; Y97-P244 HydrophobicContact CE2-CG 4.06Å; Y97-P244 VanDerWaalsContact OH-CB 3.28Å; Y97-P244 WeakPolarHBondContact OH-CB 3.21Å; Y97-P244 VanDerWaalsContact OH-CG 3.26Å; Y97-P244 WeakPolarHBondContact OH-CG 3.42Å
98	T	98.6	Very high	96.7	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-39.8	174.8	50.5	0	0	0	0	111.4	L75 Q95 F100 W101 D102 I144 F148	L75-T98 HydrophobicContact CD1-CG2 4.25Å; L75-T98 HydrophobicContact CD2-CG2 4.48Å; Q95-T98 PolarHBondContact O-OG1 3.42Å; T98-F100 PolarHBondContact O-N 3.35Å; T98-W101 PolarHBondContact O-N 2.9Å; T98-D102 VanDerWaalsContact O-CB 3.26Å; T98-D102 WeakPolarHBondContact O-CB 3.42Å; T98-D102 PolarHBondContact O-N 3.2Å; T98-I144 HydrophobicContact CG2-CD1 4.18Å; T98-F148 HydrophobicContact CG2-CD1 4.2Å; T98-F148 HydrophobicContact CG2-CE1 3.54Å; T98-F148 HydrophobicContact CG2-CZ 4.46Å
99	F	98.9	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-38.9	178.5	-171.5	-129.7	0	0	0	113.7	R68 M71 Q95 N96 Y97 K103 D137 L171 L218	R68-F99 VanDerWaalsContact CD-CD2 3.41Å; R68-F99 VanDerWaalsContact CD-CG 3.44Å; R68-F99 HydrophobicContact CG-CD2 3.69Å; R68-F99 HydrophobicContact CG-CE2 3.72Å; R68-F99 HydrophobicContact CG-CG 4.25Å; R68-F99 HydrophobicContact CG-CZ 4.32Å; M71-F99 HydrophobicContact CE-CB 4.37Å; M71-F99 HydrophobicContact CE-CD2 3.86Å; M71-F99 HydrophobicContact SD-CB 3.91Å; M71-F99 HydrophobicContact SD-CD2 4.11Å; Q95-F99 WeakPolarHBondContact O-CB 3.44Å; Q95-F99 PolarHBondContact O-N 3.02Å; N96-F99 PolarHBondContact O-N 2.88Å; Y97-F99 VanDerWaalsContact C-N 3.3Å; Y97-F99 PolarHBondContact O-N 2.99Å; F99-K103 HydrophobicContact CD2-CG 4.28Å; F99-K103 HydrophobicContact CE2-CD 4.42Å; F99-K103 VanDerWaalsContact CE2-CE 3.41Å; F99-K103 HydrophobicContact CE2-CG 4.19Å; F99-K103 VanDerWaalsContact CE2-NZ 3.29Å; F99-K103 HydrophobicContact CZ-CD 4.37Å; F99-K103 WeakPolarHBondContact O-CB 3.4Å; F99-K103 VanDerWaalsContact O-CG 3.25Å; F99-K103 WeakPolarHBondContact O-CG 3.36Å; F99-K103 PolarHBondContact O-N 3.45Å; F99-K103 VanDerWaalsContact O-N 3.12Å; F99-D137 HydrophobicContact CE2-CB 4.08Å; F99-D137 VanDerWaalsContact CE2-OD1 3.32Å; F99-D137 WeakPolarHBondContact CE2-OD1 3.4Å; F99-D137 VanDerWaalsContact CZ-OD1 3.31Å; F99-D137 WeakPolarHBondContact CZ-OD1 3.41Å; F99-L171 HydrophobicContact CE1-CD2 3.97Å; F99-L171 HydrophobicContact CZ-CD2 4.44Å; F99-L218 HydrophobicContact CD1-CD1 3.99Å; F99-L218 HydrophobicContact CD1-CD2 4.01Å; F99-L218 HydrophobicContact CE1-CD1 4.45Å; F99-L218 HydrophobicContact CE1-CD2 4.11Å
100	F	98.9	Very high	97.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-54.7	174.7	-178.6	-77	0	0	0	110.9	N96 Y97 T98 K103 Y104 M159 Y211 L214 A215 L218 P221	N96-F100 PolarHBondContact O-N 3.21Å; Y97-F100 PolarHBondContact O-N 3.22Å; T98-F100 PolarHBondContact O-N 3.35Å; F100-K103 PolarHBondContact O-N 2.95Å; F100-Y104 PolarHBondContact O-N 3Å; F100-Y104 VanDerWaalsContact O-N 3.08Å; F100-M159 HydrophobicContact CB-CE 4.13Å; F100-M159 HydrophobicContact CD2-CE 4.33Å; F100-M159 HydrophobicContact CG-CE 4.49Å; F100-Y211 HydrophobicContact CE1-CD2 4.24Å; F100-Y211 AromaticContact CE1-CE2 3.94Å; F100-Y211 HydrophobicContact CE1-CE2 3.94Å; F100-Y211 AromaticContact CZ-CD2 3.93Å; F100-Y211 HydrophobicContact CZ-CD2 3.93Å; F100-Y211 AromaticContact CZ-CE2 3.66Å; F100-Y211 HydrophobicContact CZ-CE2 3.66Å; F100-L214 HydrophobicContact CD2-CB 4.07Å; F100-L214 HydrophobicContact CE2-CB 3.64Å; F100-L214 HydrophobicContact CZ-CB 4.05Å; F100-A215 HydrophobicContact CE2-CB 4.24Å; F100-L218 HydrophobicContact CB-CD1 4.18Å; F100-L218 HydrophobicContact CD2-CB 4.12Å; F100-L218 HydrophobicContact CD2-CD1 4.18Å; F100-P221 HydrophobicContact CB-CG 4.3Å; F100-P221 HydrophobicContact CD1-CG 3.28Å; F100-P221 HydrophobicContact CD2-CG 3.75Å; F100-P221 HydrophobicContact CE1-CG 3.39Å; F100-P221 HydrophobicContact CE2-CG 3.82Å; F100-P221 HydrophobicContact CG-CG 3.5Å; F100-P221 VanDerWaalsContact CG-CG 3.5Å; F100-P221 HydrophobicContact CZ-CG 3.67Å
101	W	98.9	Very high	98.4	Very high	36 Å²	36	12.6 Å²	12.6	14%	0.136	5%	0.054	C	C	.	.	H	α-helix	trans	-69.1	-37.3	-174.8	-68.4	123.2	0	0	0	112.2	Y97 T98 K103 Y104 E105 L147 Y151 P221	Y97-W101 AromaticContact CD1-CD1 3.95Å; Y97-W101 AromaticContact CE1-CD1 3.56Å; Y97-W101 AromaticContact CE1-NE1 3.55Å; Y97-W101 AromaticContact CE2-NE1 3.53Å; Y97-W101 AromaticContact CZ-CD1 3.69Å; Y97-W101 AromaticContact CZ-NE1 3.14Å; Y97-W101 VanDerWaalsContact O-CD1 3.28Å; Y97-W101 PolarHBondContact O-N 2.9Å; Y97-W101 PolarHBondContact OH-NE1 3.11Å; Y97-W101 VanDerWaalsContact OH-NE1 3.14Å; T98-W101 PolarHBondContact O-N 2.9Å; W101-K103 PolarHBondContact O-N 3.42Å; W101-Y104 HydrophobicContact CE3-CD1 4.21Å; W101-Y104 HydrophobicContact CZ3-CD1 4.25Å; W101-Y104 PolarHBondContact O-N 3.47Å; W101-E105 WeakPolarHBondContact O-CB 3.21Å; W101-E105 WeakPolarHBondContact O-CG 3.36Å; W101-E105 PolarHBondContact O-N 2.97Å; W101-L147 HydrophobicContact CB-CD2 4.02Å; W101-Y151 HydrophobicContact CB-CD2 3.61Å; W101-Y151 HydrophobicContact CB-CE2 3.75Å; W101-Y151 HydrophobicContact CB-CG 4.04Å; W101-Y151 AromaticContact CD1-CD1 3.96Å; W101-Y151 AromaticContact CD1-CG 3.66Å; W101-Y151 AromaticContact CD2-CD1 3.45Å; W101-Y151 HydrophobicContact CD2-CD1 3.45Å; W101-Y151 VanDerWaalsContact CD2-CD1 3.45Å; W101-Y151 HydrophobicContact CD2-CD2 4.11Å; W101-Y151 AromaticContact CD2-CE1 3.43Å; W101-Y151 HydrophobicContact CD2-CE1 3.43Å; W101-Y151 VanDerWaalsContact CD2-CE1 3.43Å; W101-Y151 HydrophobicContact CD2-CE2 4.08Å; W101-Y151 AromaticContact CD2-CG 3.79Å; W101-Y151 HydrophobicContact CD2-CG 3.79Å; W101-Y151 AromaticContact CD2-CZ 3.73Å; W101-Y151 AromaticContact CE2-CD1 3.47Å; W101-Y151 VanDerWaalsContact CE2-CD1 3.47Å; W101-Y151 AromaticContact CE2-CE1 3.77Å; W101-Y151 AromaticContact CE3-CD1 3.86Å; W101-Y151 HydrophobicContact CE3-CD1 3.86Å; W101-Y151 AromaticContact CE3-CE1 3.29Å; W101-Y151 HydrophobicContact CE3-CE1 3.29Å; W101-Y151 HydrophobicContact CE3-CE2 4.11Å; W101-Y151 HydrophobicContact CE3-CG 4.45Å; W101-Y151 AromaticContact CE3-CZ 3.41Å; W101-Y151 VanDerWaalsContact CE3-CZ 3.41Å; W101-Y151 AromaticContact CG-CD1 3.79Å; W101-Y151 HydrophobicContact CG-CD1 3.79Å; W101-Y151 AromaticContact CG-CD2 3.68Å; W101-Y151 HydrophobicContact CG-CD2 3.68Å; W101-Y151 HydrophobicContact CG-CE1 4.07Å; W101-Y151 AromaticContact CG-CE2 3.96Å; W101-Y151 HydrophobicContact CG-CE2 3.96Å; W101-Y151 AromaticContact CG-CG 3.57Å; W101-Y151 HydrophobicContact CG-CG 3.57Å; W101-Y151 HydrophobicContact CH2-CD1 4.29Å; W101-Y151 AromaticContact CH2-CE1 3.91Å; W101-Y151 HydrophobicContact CH2-CE1 3.91Å; W101-Y151 AromaticContact CZ2-CD1 3.91Å; W101-Y151 HydrophobicContact CZ2-CD1 3.91Å; W101-Y151 HydrophobicContact CZ2-CE1 4.01Å; W101-Y151 HydrophobicContact CZ3-CD1 4.27Å; W101-Y151 AromaticContact CZ3-CE1 3.56Å; W101-Y151 HydrophobicContact CZ3-CE1 3.56Å; W101-Y151 AromaticContact CZ3-CZ 3.99Å; W101-Y151 AromaticContact NE1-CD1 3.76Å; W101-Y151 AromaticContact NE1-CG 3.89Å; W101-P221 HydrophobicContact CH2-CG 4.38Å; W101-P221 HydrophobicContact CZ2-CB 3.67Å; W101-P221 HydrophobicContact CZ2-CG 3.83Å
102	D	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.1	-49.2	173.8	-178	59.6	0	0	0	111.9	W70 M71 T98 Y104 E105 K106 L147 N283	W70-D102 WeakPolarHBondContact CH2-OD1 3.48Å; M71-D102 HydrophobicContact CE-CB 3.59Å; M71-D102 WeakPolarHBondContact CE-OD2 3.37Å; T98-D102 VanDerWaalsContact O-CB 3.26Å; T98-D102 WeakPolarHBondContact O-CB 3.42Å; T98-D102 PolarHBondContact O-N 3.2Å; D102-Y104 VanDerWaalsContact C-N 3.31Å; D102-Y104 PolarHBondContact O-N 3.04Å; D102-E105 PolarHBondContact O-N 3.46Å; D102-K106 VanDerWaalsContact O-CB 3.26Å; D102-K106 WeakPolarHBondContact O-CB 3.36Å; D102-K106 VanDerWaalsContact O-CG 3.26Å; D102-K106 WeakPolarHBondContact O-CG 3.48Å; D102-K106 PolarHBondContact O-N 3.32Å; D102-K106 WeakPolarHBondContact OD1-CE 3.3Å; D102-K106 IonicContact OD1-NZ 3.77Å; D102-K106 PolarHBondContact OD1-NZ 3.45Å; D102-K106 WeakPolarHBondContact OD2-CD 3.37Å; D102-K106 WeakPolarHBondContact OD2-CE 3.2Å; D102-K106 IonicContact OD2-NZ 2.76Å; D102-K106 PolarHBondContact OD2-NZ 3.44Å; D102-L147 HydrophobicContact CB-CD1 3.56Å; D102-L147 HydrophobicContact CB-CD2 4.46Å; D102-N283 PolarHBondContact OD1-ND2 3.15Å
103	K	98.9	Very high	98.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.1	-38.6	178.6	-71.8	-122.1	179.8	-67.6	0	112.6	F99 F100 W101 A107 D137 L171 N172 L175 L214	F99-K103 HydrophobicContact CD2-CG 4.28Å; F99-K103 HydrophobicContact CE2-CD 4.42Å; F99-K103 VanDerWaalsContact CE2-CE 3.41Å; F99-K103 HydrophobicContact CE2-CG 4.19Å; F99-K103 VanDerWaalsContact CE2-NZ 3.29Å; F99-K103 HydrophobicContact CZ-CD 4.37Å; F99-K103 WeakPolarHBondContact O-CB 3.4Å; F99-K103 VanDerWaalsContact O-CG 3.25Å; F99-K103 WeakPolarHBondContact O-CG 3.36Å; F99-K103 PolarHBondContact O-N 3.45Å; F99-K103 VanDerWaalsContact O-N 3.12Å; F100-K103 PolarHBondContact O-N 2.95Å; W101-K103 PolarHBondContact O-N 3.42Å; K103-A107 PolarHBondContact O-N 3.26Å; K103-D137 WeakPolarHBondContact CE-OD1 3.34Å; K103-D137 IonicContact NZ-OD1 3.22Å; K103-D137 PolarHBondContact NZ-OD1 3.28Å; K103-L171 HydrophobicContact CD-CD2 4.12Å; K103-L171 HydrophobicContact CD-CG 4.37Å; K103-N172 WeakPolarHBondContact CE-OD1 3.26Å; K103-N172 PolarHBondContact NZ-OD1 3.31Å; K103-L175 HydrophobicContact CB-CD2 4.34Å; K103-L175 HydrophobicContact CD-CD2 3.73Å; K103-L214 HydrophobicContact CB-CD1 3.94Å; K103-L214 HydrophobicContact CB-CD2 3.61Å; K103-L214 HydrophobicContact CB-CG 4.46Å; K103-L214 HydrophobicContact CD-CD2 4.13Å; K103-L214 HydrophobicContact CG-CD2 4.29Å
104	Y	98.9	Very high	98.7	Very high	52 Å²	52	12.4 Å²	12.4	20%	0.204	5%	0.054	C	C	.	.	H	α-helix	trans	-66.5	-46.8	178.8	-177.2	-107.9	0	0	0	111.3	F100 W101 D102 A107 N108 L207 V210 Y211 L214	F100-Y104 PolarHBondContact O-N 3Å; F100-Y104 VanDerWaalsContact O-N 3.08Å; W101-Y104 HydrophobicContact CE3-CD1 4.21Å; W101-Y104 HydrophobicContact CZ3-CD1 4.25Å; W101-Y104 PolarHBondContact O-N 3.47Å; D102-Y104 VanDerWaalsContact C-N 3.31Å; D102-Y104 PolarHBondContact O-N 3.04Å; Y104-A107 WeakPolarHBondContact O-CB 3.5Å; Y104-A107 PolarHBondContact O-N 2.91Å; Y104-N108 PolarHBondContact O-N 3.17Å; Y104-L207 HydrophobicContact CE2-CB 4.37Å; Y104-L207 HydrophobicContact CE2-CD2 4.21Å; Y104-V210 HydrophobicContact CD2-CG1 4.11Å; Y104-Y211 HydrophobicContact CD2-CD2 4.28Å; Y104-Y211 HydrophobicContact CE2-CD2 4.08Å; Y104-Y211 HydrophobicContact CE2-CG 4.48Å; Y104-L214 HydrophobicContact CD2-CD1 4.22Å; Y104-L214 HydrophobicContact CG-CD1 4.47Å
105	E	98.9	Very high	98.7	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.028	6%	0.06	C	C	.	.	H	α-helix	trans	-69.1	-44.8	179.7	-73.1	-76.3	-161	0	0	111.9	W101 D102 A107 N108 Y109 L147 K150 Y151 N283 V284	W101-E105 WeakPolarHBondContact O-CB 3.21Å; W101-E105 WeakPolarHBondContact O-CG 3.36Å; W101-E105 PolarHBondContact O-N 2.97Å; D102-E105 PolarHBondContact O-N 3.46Å; E105-A107 PolarHBondContact O-N 3.2Å; E105-N108 CarbonylContact O-C 3.56Å; E105-N108 WeakPolarHBondContact O-CA 3.28Å; E105-N108 WeakPolarHBondContact O-CB 3.45Å; E105-N108 PolarHBondContact O-N 3.1Å; E105-Y109 PolarHBondContact O-N 3.22Å; E105-L147 HydrophobicContact CG-CD2 4.36Å; E105-K150 WeakPolarHBondContact OE1-CD 3.48Å; E105-K150 WeakPolarHBondContact OE1-CE 2.98Å; E105-K150 IonicContact OE1-NZ 2.65Å; E105-K150 PolarHBondContact OE1-NZ 3.29Å; E105-K150 IonicContact OE2-NZ 2.74Å; E105-Y151 HydrophobicContact CG-CE2 3.95Å; E105-Y151 PolarHBondContact OE1-OH 3.19Å; E105-N283 CarbonylContact C-O 3.59Å; E105-N283 VanDerWaalsContact CB-O 3.3Å; E105-N283 WeakPolarHBondContact CB-O 3.36Å; E105-V284 HydrophobicContact CB-CG2 4.06Å; E105-V284 HydrophobicContact CG-CG2 3.97Å
106	K	98.8	Very high	98.6	Very high	9 Å²	9	18.8 Å²	18.8	4%	0.039	9%	0.088	C	C	.	.	H	α-helix	trans	-56.4	-35	174.1	-77.9	175.8	172.4	164.1	0	113	D102 N108 Y109 F110 Q135 Q136 G138 N283	D102-K106 VanDerWaalsContact O-CB 3.26Å; D102-K106 WeakPolarHBondContact O-CB 3.36Å; D102-K106 VanDerWaalsContact O-CG 3.26Å; D102-K106 WeakPolarHBondContact O-CG 3.48Å; D102-K106 PolarHBondContact O-N 3.32Å; D102-K106 WeakPolarHBondContact OD1-CE 3.3Å; D102-K106 IonicContact OD1-NZ 3.77Å; D102-K106 PolarHBondContact OD1-NZ 3.45Å; D102-K106 WeakPolarHBondContact OD2-CD 3.37Å; D102-K106 WeakPolarHBondContact OD2-CE 3.2Å; D102-K106 IonicContact OD2-NZ 2.76Å; D102-K106 PolarHBondContact OD2-NZ 3.44Å; K106-N108 VanDerWaalsContact C-N 3.35Å; K106-Y109 PolarHBondContact O-N 3.34Å; K106-F110 VanDerWaalsContact O-CB 3.28Å; K106-F110 WeakPolarHBondContact O-CB 3.39Å; K106-F110 PolarHBondContact O-N 3.18Å; K106-Q135 HydrophobicContact CB-CB 3.95Å; K106-Q135 HydrophobicContact CD-CB 4.3Å; K106-Q136 PolarHBondContact NZ-O 3.29Å; K106-G138 PolarHBondContact NZ-O 3.39Å; K106-N283 HydrophobicContact CD-CB 4.45Å; K106-N283 HydrophobicContact CG-CB 3.54Å; K106-N283 PolarHBondContact N-O 3.05Å
107	A	98.8	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-42.4	173.8	0	0	0	0	0	111.8	K103 Y104 E105 Y111 L179 V210	K103-A107 PolarHBondContact O-N 3.26Å; Y104-A107 WeakPolarHBondContact O-CB 3.5Å; Y104-A107 PolarHBondContact O-N 2.91Å; E105-A107 PolarHBondContact O-N 3.2Å; A107-Y111 WeakPolarHBondContact O-CD1 3.38Å; A107-Y111 WeakPolarHBondContact O-CD2 3.34Å; A107-Y111 VanDerWaalsContact O-CG 3.28Å; A107-Y111 PolarHBondContact O-N 3.37Å; A107-L179 HydrophobicContact CB-CD1 4.41Å; A107-L179 HydrophobicContact CB-CD2 3.65Å; A107-V210 HydrophobicContact CB-CB 4.45Å; A107-V210 HydrophobicContact CB-CG1 3.76Å; A107-V210 HydrophobicContact CB-CG2 4.03Å
108	N	98.7	Very high	98.4	Very high	26 Å²	26	19.3 Å²	19.3	14%	0.139	9%	0.094	C	C	.	.	H	α-helix	trans	-66.4	-44.3	175.6	-169.8	39.7	0	0	0	112	Y104 E105 K106 F110 Y111 E112 R203 L207	Y104-N108 PolarHBondContact O-N 3.17Å; E105-N108 CarbonylContact O-C 3.56Å; E105-N108 WeakPolarHBondContact O-CA 3.28Å; E105-N108 WeakPolarHBondContact O-CB 3.45Å; E105-N108 PolarHBondContact O-N 3.1Å; K106-N108 VanDerWaalsContact C-N 3.35Å; N108-F110 VanDerWaalsContact C-N 3.3Å; N108-F110 PolarHBondContact O-N 3.38Å; N108-Y111 WeakPolarHBondContact O-CB 3.21Å; N108-Y111 PolarHBondContact O-N 2.91Å; N108-E112 PolarHBondContact O-N 3.2Å; N108-E112 VanDerWaalsContact O-N 3.11Å; N108-R203 PolarHBondContact OD1-NH2 3.37Å; N108-L207 HydrophobicContact CB-CD1 4.41Å; N108-L207 HydrophobicContact CB-CD2 3.89Å
109	Y	98.7	Very high	98.2	Very high	50 Å²	50	25.6 Å²	25.6	20%	0.196	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-40.2	176.9	-159.3	-86.1	0	0	0	112	E105 K106 Y111 E112 N113 M280 N283 V285	E105-Y109 PolarHBondContact O-N 3.22Å; K106-Y109 PolarHBondContact O-N 3.34Å; Y109-Y111 VanDerWaalsContact C-N 3.33Å; Y109-Y111 PolarHBondContact O-N 2.8Å; Y109-E112 PolarHBondContact O-N 3.15Å; Y109-N113 WeakPolarHBondContact CD1-ND2 3.45Å; Y109-N113 WeakPolarHBondContact CE1-ND2 3.43Å; Y109-N113 PolarHBondContact O-N 3.17Å; Y109-M280 WeakPolarHBondContact CE1-O 3.14Å; Y109-N283 WeakPolarHBondContact CB-O 3.33Å; Y109-V285 HydrophobicContact CD2-CG2 3.96Å
110	F	98.8	Very high	98.1	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-39.2	172.5	173.2	-97.4	0	0	0	112.2	K106 N108 N113 I114 L130 L131 P134 L179 A183	K106-F110 VanDerWaalsContact O-CB 3.28Å; K106-F110 WeakPolarHBondContact O-CB 3.39Å; K106-F110 PolarHBondContact O-N 3.18Å; N108-F110 VanDerWaalsContact C-N 3.3Å; N108-F110 PolarHBondContact O-N 3.38Å; F110-N113 PolarHBondContact O-N 3.49Å; F110-I114 HydrophobicContact CD1-CG1 4.19Å; F110-I114 HydrophobicContact CD2-CG1 4.33Å; F110-I114 HydrophobicContact CE1-CD1 4.35Å; F110-I114 HydrophobicContact CE1-CG1 3.68Å; F110-I114 HydrophobicContact CE2-CD1 3.9Å; F110-I114 HydrophobicContact CE2-CG1 3.83Å; F110-I114 HydrophobicContact CG-CG1 4.49Å; F110-I114 HydrophobicContact CZ-CD1 3.68Å; F110-I114 HydrophobicContact CZ-CG1 3.49Å; F110-I114 VanDerWaalsContact CZ-CG1 3.49Å; F110-I114 VanDerWaalsContact O-CG1 3.29Å; F110-I114 WeakPolarHBondContact O-CG1 3.31Å; F110-I114 PolarHBondContact O-N 3.23Å; F110-L130 HydrophobicContact CE2-CB 4.17Å; F110-L130 WeakPolarHBondContact CE2-O 3.43Å; F110-L131 HydrophobicContact CZ-CD2 4.04Å; F110-P134 HydrophobicContact CD1-CB 4.36Å; F110-P134 HydrophobicContact CD2-CB 3.71Å; F110-P134 HydrophobicContact CE1-CB 4.26Å; F110-P134 HydrophobicContact CE2-CB 3.59Å; F110-P134 HydrophobicContact CE2-CG 4.07Å; F110-P134 HydrophobicContact CG-CB 4.1Å; F110-P134 HydrophobicContact CZ-CB 3.87Å; F110-P134 HydrophobicContact CZ-CG 4.18Å; F110-L179 HydrophobicContact CD1-CB 3.94Å; F110-L179 HydrophobicContact CD1-CD1 4.49Å; F110-L179 HydrophobicContact CD1-CD2 4.37Å; F110-L179 HydrophobicContact CD1-CG 4.48Å; F110-L179 HydrophobicContact CE1-CB 3.83Å; F110-L179 WeakPolarHBondContact CE1-O 3.42Å; F110-A183 HydrophobicContact CE1-CB 4.01Å; F110-A183 HydrophobicContact CZ-CB 3.97Å
111	Y	98.7	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-44.3	175.6	-58.2	-29.8	0	0	0	112.3	A107 N108 Y109 N113 I114 L115 L179 H182 L186 M206 L207 V210	A107-Y111 WeakPolarHBondContact O-CD1 3.38Å; A107-Y111 WeakPolarHBondContact O-CD2 3.34Å; A107-Y111 VanDerWaalsContact O-CG 3.28Å; A107-Y111 PolarHBondContact O-N 3.37Å; N108-Y111 WeakPolarHBondContact O-CB 3.21Å; N108-Y111 PolarHBondContact O-N 2.91Å; Y109-Y111 VanDerWaalsContact C-N 3.33Å; Y109-Y111 PolarHBondContact O-N 2.8Å; Y111-N113 PolarHBondContact O-N 2.77Å; Y111-I114 PolarHBondContact O-N 2.87Å; Y111-L115 WeakPolarHBondContact O-CG 3.42Å; Y111-L115 PolarHBondContact O-N 3.1Å; Y111-L179 HydrophobicContact CE1-CD2 3.56Å; Y111-L179 WeakPolarHBondContact OH-CD2 3.5Å; Y111-H182 HydrophobicContact CD1-CB 4.38Å; Y111-H182 HydrophobicContact CE1-CB 3.64Å; Y111-H182 AromaticContact CE1-ND1 3.73Å; Y111-H182 AromaticContact CZ-ND1 3.51Å; Y111-H182 PolarHBondContact OH-ND1 2.83Å; Y111-L186 HydrophobicContact CD1-CD1 3.68Å; Y111-L186 HydrophobicContact CG-CD1 3.91Å; Y111-M206 HydrophobicContact CE2-CB 4.09Å; Y111-L207 HydrophobicContact CD2-CD2 4.22Å; Y111-L207 HydrophobicContact CD2-CG 4.35Å; Y111-L207 HydrophobicContact CE2-CD2 3.69Å; Y111-L207 HydrophobicContact CE2-CG 3.91Å; Y111-V210 VanDerWaalsContact OH-CG2 3.22Å; Y111-V210 WeakPolarHBondContact OH-CG2 3.28Å
112	E	98	Very high	97.9	Very high	49 Å²	49	34.1 Å²	34.1	23%	0.229	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-49.6	173.9	-70.2	-63.5	164.8	0	0	111.2	N108 Y109 I114 L115 N116 R203 V285	N108-E112 PolarHBondContact O-N 3.2Å; N108-E112 VanDerWaalsContact O-N 3.11Å; Y109-E112 PolarHBondContact O-N 3.15Å; E112-I114 VanDerWaalsContact C-N 3.28Å; E112-I114 PolarHBondContact O-N 3.28Å; E112-L115 PolarHBondContact O-N 3.41Å; E112-L115 VanDerWaalsContact O-N 3.1Å; E112-N116 WeakPolarHBondContact O-CB 3.34Å; E112-N116 VanDerWaalsContact O-CG 3.28Å; E112-N116 PolarHBondContact O-N 3.01Å; E112-N116 PolarHBondContact O-ND2 2.87Å; E112-R203 IonicContact OE1-CZ 3.05Å; E112-R203 IonicContact OE1-NH1 2.64Å; E112-R203 PolarHBondContact OE1-NH1 2.9Å; E112-R203 IonicContact OE1-NH2 2.69Å; E112-R203 PolarHBondContact OE1-NH2 3.23Å; E112-R203 IonicContact OE2-NH1 3.84Å; E112-V285 HydrophobicContact CG-CG1 4.2Å; E112-V285 HydrophobicContact CG-CG2 3.69Å
113	N	98.3	Very high	97.8	Very high	14 Å²	14	39.9 Å²	39.9	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-36.2	179.1	-73.3	-19	0	0	0	112.6	Y109 F110 Y111 T117 L130 M280	Y109-N113 WeakPolarHBondContact CD1-ND2 3.45Å; Y109-N113 WeakPolarHBondContact CE1-ND2 3.43Å; Y109-N113 PolarHBondContact O-N 3.17Å; F110-N113 PolarHBondContact O-N 3.49Å; Y111-N113 PolarHBondContact O-N 2.77Å; N113-T117 WeakPolarHBondContact O-CB 3.19Å; N113-T117 WeakPolarHBondContact O-CG2 3.33Å; N113-T117 PolarHBondContact O-N 3.08Å; N113-T117 VanDerWaalsContact O-N 3.14Å; N113-T117 PolarHBondContact O-OG1 3.17Å; N113-L130 HydrophobicContact CB-CD1 3.83Å; N113-L130 HydrophobicContact CB-CD2 3.72Å; N113-L130 HydrophobicContact CB-CG 4.45Å; N113-M280 HydrophobicContact CB-SD 4.39Å; N113-M280 PolarHBondContact ND2-O 3.2Å
114	I	98.4	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-38.8	175.2	-71.2	-63.6	0	0	0	112	F110 Y111 E112 T117 A118 L130 L131 A183 L186 R187	F110-I114 HydrophobicContact CD1-CG1 4.19Å; F110-I114 HydrophobicContact CD2-CG1 4.33Å; F110-I114 HydrophobicContact CE1-CD1 4.35Å; F110-I114 HydrophobicContact CE1-CG1 3.68Å; F110-I114 HydrophobicContact CE2-CD1 3.9Å; F110-I114 HydrophobicContact CE2-CG1 3.83Å; F110-I114 HydrophobicContact CG-CG1 4.49Å; F110-I114 HydrophobicContact CZ-CD1 3.68Å; F110-I114 HydrophobicContact CZ-CG1 3.49Å; F110-I114 VanDerWaalsContact CZ-CG1 3.49Å; F110-I114 VanDerWaalsContact O-CG1 3.29Å; F110-I114 WeakPolarHBondContact O-CG1 3.31Å; F110-I114 PolarHBondContact O-N 3.23Å; Y111-I114 PolarHBondContact O-N 2.87Å; E112-I114 VanDerWaalsContact C-N 3.28Å; E112-I114 PolarHBondContact O-N 3.28Å; I114-T117 CarbonylContact O-C 3.19Å; I114-A118 WeakPolarHBondContact O-CA 3.38Å; I114-A118 WeakPolarHBondContact O-CB 3.49Å; I114-A118 PolarHBondContact O-N 2.63Å; I114-A118 VanDerWaalsContact O-N 3.08Å; I114-L130 HydrophobicContact CD1-CB 4.47Å; I114-L130 HydrophobicContact CD1-CD1 4.39Å; I114-L131 HydrophobicContact CD1-CD2 4.12Å; I114-A183 HydrophobicContact CD1-CB 3.9Å; I114-A183 HydrophobicContact CG1-CB 3.93Å; I114-A183 HydrophobicContact CG2-CB 4.1Å; I114-L186 HydrophobicContact CG2-CB 4.07Å; I114-L186 HydrophobicContact CG2-CD1 4.36Å; I114-R187 HydrophobicContact CG2-CG 3.66Å
115	L	97.7	Very high	97.8	Very high	27 Å²	27	46.3 Å²	46.3	14%	0.141	24%	0.244	C	C	.	.	H	α-helix	trans	-68.7	-44.5	177	-68.8	166.2	0	0	0	111	Y111 E112 T117 A118 L186 I190 I199	Y111-L115 WeakPolarHBondContact O-CG 3.42Å; Y111-L115 PolarHBondContact O-N 3.1Å; E112-L115 PolarHBondContact O-N 3.41Å; E112-L115 VanDerWaalsContact O-N 3.1Å; L115-T117 PolarHBondContact O-N 2.97Å; L115-A118 VanDerWaalsContact O-CB 3.23Å; L115-A118 WeakPolarHBondContact O-CB 3.49Å; L115-A118 PolarHBondContact O-N 3.13Å; L115-A118 VanDerWaalsContact O-N 3.13Å; L115-L186 HydrophobicContact CD2-CB 4.08Å; L115-L186 HydrophobicContact CD2-CD2 4.21Å; L115-I190 HydrophobicContact CD2-CD1 4.05Å; L115-I190 HydrophobicContact CD2-CG1 4.01Å; L115-I199 HydrophobicContact CD1-CG2 3.97Å; L115-I199 HydrophobicContact CD2-CG2 3.93Å
116	N	96.6	Very high	97.7	Very high	110 Å²	110	48.8 Å²	48.8	59%	0.588	26%	0.256	S	S	*	.	H	α-helix	trans	-65.5	-19.4	178.4	-69.2	-22.2	0	0	0	113.7	E112	E112-N116 WeakPolarHBondContact O-CB 3.34Å; E112-N116 VanDerWaalsContact O-CG 3.28Å; E112-N116 PolarHBondContact O-N 3.01Å; E112-N116 PolarHBondContact O-ND2 2.87Å
117	T	97.7	Very high	97.7	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.037	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	13.4	177.2	60.7	0	0	0	0	112.7	N113 I114 L115 D119 Q120 L130 R187 M280	N113-T117 WeakPolarHBondContact O-CB 3.19Å; N113-T117 WeakPolarHBondContact O-CG2 3.33Å; N113-T117 PolarHBondContact O-N 3.08Å; N113-T117 VanDerWaalsContact O-N 3.14Å; N113-T117 PolarHBondContact O-OG1 3.17Å; I114-T117 CarbonylContact O-C 3.19Å; L115-T117 PolarHBondContact O-N 2.97Å; T117-D119 PolarHBondContact O-N 2.73Å; T117-Q120 WeakPolarHBondContact O-CB 3.37Å; T117-Q120 PolarHBondContact O-N 3.4Å; T117-Q120 VanDerWaalsContact O-N 3.17Å; T117-L130 HydrophobicContact CG2-CD1 4.25Å; T117-R187 PolarHBondContact O-NH1 3.49Å; T117-M280 HydrophobicContact CG2-SD 4.24Å
118	A	96.3	Very high	97.6	Very high	14 Å²	14	50.5 Å²	50.5	12%	0.116	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.9	-175.4	0	0	0	0	0	113.1	I114 L115 Q120 R187 I190	I114-A118 WeakPolarHBondContact O-CA 3.38Å; I114-A118 WeakPolarHBondContact O-CB 3.49Å; I114-A118 PolarHBondContact O-N 2.63Å; I114-A118 VanDerWaalsContact O-N 3.08Å; L115-A118 VanDerWaalsContact O-CB 3.23Å; L115-A118 WeakPolarHBondContact O-CB 3.49Å; L115-A118 PolarHBondContact O-N 3.13Å; L115-A118 VanDerWaalsContact O-N 3.13Å; A118-Q120 VanDerWaalsContact C-N 3.31Å; A118-R187 HydrophobicContact CB-CG 4.49Å; A118-R187 PolarHBondContact O-NH2 3.34Å; A118-I190 HydrophobicContact CB-CB 3.87Å; A118-I190 HydrophobicContact CB-CG1 3.67Å; A118-I190 HydrophobicContact CB-CG2 3.78Å
119	D	94.3	Very high	97.6	Very high	135 Å²	135	53 Å²	53	72%	0.722	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.5	176.7	69.2	-32.7	0	0	0	113.5	T117	T117-D119 PolarHBondContact O-N 2.73Å
120	Q	96.9	Very high	97.6	Very high	48 Å²	48	51.2 Å²	51.2	22%	0.224	28%	0.275	C	S	.	.	S	Bend	trans	-83.2	154	177.9	-54.6	-173.1	19.5	0	0	112.4	T117 A118 S124 E126 V127 R187	T117-Q120 WeakPolarHBondContact O-CB 3.37Å; T117-Q120 PolarHBondContact O-N 3.4Å; T117-Q120 VanDerWaalsContact O-N 3.17Å; A118-Q120 VanDerWaalsContact C-N 3.31Å; Q120-S124 PolarHBondContact OE1-OG 3.25Å; Q120-E126 PolarHBondContact NE2-OE2 3.45Å; Q120-E126 PolarHBondContact OE1-OE2 3.29Å; Q120-V127 HydrophobicContact CB-CG2 4.08Å; Q120-R187 PolarHBondContact O-NH2 3.03Å
121	P	96.9	Very high	97.6	Very high	84 Å²	84	52.9 Å²	52.9	55%	0.545	28%	0.284	S	S	.	.			trans	-58.9	142.8	169.9	-22.3	33.2	0	0	0	111.9	T123 S124	P121-T123 PolarHBondContact O-N 2.95Å; P121-S124 WeakPolarHBondContact O-CB 3.33Å; P121-S124 PolarHBondContact O-N 2.88Å; P121-S124 PolarHBondContact O-OG 2.87Å
122	V	97.1	Very high	97.5	Very high	82 Å²	82	59.5 Å²	59.5	50%	0.497	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.9	175.4	70.7	0	0	0	0	113.6	V127 L131	V122-V127 HydrophobicContact CG2-CG1 4.22Å; V122-L131 HydrophobicContact CG2-CD1 3.84Å
123	T	97.3	Very high	97.5	Very high	121 Å²	121	60 Å²	60	74%	0.742	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	3.8	176.6	59.4	0	0	0	0	113.7	P121	P121-T123 PolarHBondContact O-N 2.95Å
124	S	98.1	Very high	97.5	Very high	24 Å²	24	59.9 Å²	59.9	17%	0.168	32%	0.321	C	S	.	.	S	Bend	trans	-62.9	153.1	172.2	83.6	0	0	0	0	109.6	Q120 P121 E126 V127 A128	Q120-S124 PolarHBondContact OE1-OG 3.25Å; P121-S124 WeakPolarHBondContact O-CB 3.33Å; P121-S124 PolarHBondContact O-N 2.88Å; P121-S124 PolarHBondContact O-OG 2.87Å; S124-E126 VanDerWaalsContact C-N 3.28Å; S124-E126 PolarHBondContact O-N 2.93Å; S124-V127 PolarHBondContact O-N 3.16Å; S124-V127 WeakPolarHBondContact OG-CG2 3.43Å; S124-V127 PolarHBondContact OG-N 3.4Å; S124-A128 WeakPolarHBondContact O-CB 3.46Å; S124-A128 PolarHBondContact O-N 3.48Å
125	R	98	Very high	97.5	Very high	164 Å²	164	60.1 Å²	60.1	62%	0.619	32%	0.322	S	S	*	.	H	α-helix	trans	-62.4	-38.2	-177.3	-167.4	176.2	178.8	-175.9	1.7	111.7	F129 W435	R125-F129 VanDerWaalsContact O-CB 3.24Å; R125-F129 WeakPolarHBondContact O-CB 3.26Å; R125-F129 PolarHBondContact O-N 3.43Å; R125-W435 HydrophobicContact CB-CH2 4.09Å; R125-W435 HydrophobicContact CB-CZ3 3.95Å; R125-W435 HydrophobicContact CG-CD2 4.44Å; R125-W435 HydrophobicContact CG-CE3 3.85Å; R125-W435 HydrophobicContact CG-CH2 3.84Å; R125-W435 HydrophobicContact CG-CZ2 4.41Å; R125-W435 HydrophobicContact CG-CZ3 3.52Å
126	E	97.7	Very high	97.5	Very high	58 Å²	58	62.7 Å²	62.7	27%	0.271	33%	0.334	S	S	.	.	H	α-helix	trans	-65.2	-52.1	177.6	-72.6	168.7	-165.6	0	0	111.9	Q120 S124 A128 F129 L130 M280 W435	Q120-E126 PolarHBondContact NE2-OE2 3.45Å; Q120-E126 PolarHBondContact OE1-OE2 3.29Å; S124-E126 VanDerWaalsContact C-N 3.28Å; S124-E126 PolarHBondContact O-N 2.93Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-A128 PolarHBondContact O-N 3.38Å; E126-F129 WeakPolarHBondContact O-CB 3.26Å; E126-F129 PolarHBondContact O-N 2.88Å; E126-L130 WeakPolarHBondContact O-CG 3.33Å; E126-L130 PolarHBondContact O-N 2.95Å; E126-M280 HydrophobicContact CB-CE 3.93Å; E126-M280 HydrophobicContact CG-CE 3.96Å; E126-W435 HydrophobicContact CG-CH2 4.35Å; E126-W435 HydrophobicContact CG-CZ3 4Å
127	V	98.2	Very high	97.6	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-39.7	178.9	179.3	0	0	0	0	110.9	Q120 V122 S124 F129 L130 L131	Q120-V127 HydrophobicContact CB-CG2 4.08Å; V122-V127 HydrophobicContact CG2-CG1 4.22Å; S124-V127 PolarHBondContact O-N 3.16Å; S124-V127 WeakPolarHBondContact OG-CG2 3.43Å; S124-V127 PolarHBondContact OG-N 3.4Å; V127-F129 VanDerWaalsContact C-N 3.33Å; V127-F129 PolarHBondContact O-N 3.16Å; V127-L130 PolarHBondContact O-N 3.42Å; V127-L131 HydrophobicContact CG1-CD1 3.76Å; V127-L131 HydrophobicContact CG1-CG 4.27Å; V127-L131 WeakPolarHBondContact O-CB 3.45Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.44Å; V127-L131 PolarHBondContact O-N 2.96Å
128	A	98.3	Very high	97.6	Very high	45 Å²	45	57.8 Å²	57.8	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-62.2	-40.1	175.2	0	0	0	0	0	112	S124 E126 L131 Q132	S124-A128 WeakPolarHBondContact O-CB 3.46Å; S124-A128 PolarHBondContact O-N 3.48Å; E126-A128 VanDerWaalsContact C-N 3.33Å; E126-A128 PolarHBondContact O-N 3.38Å; A128-L131 PolarHBondContact O-N 2.91Å; A128-Q132 WeakPolarHBondContact O-CB 3.46Å; A128-Q132 PolarHBondContact O-N 3.45Å
129	F	97.9	Very high	97.7	Very high	79 Å²	79	57.1 Å²	57.1	35%	0.346	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-49.3	176	178.5	-98.9	0	0	0	111.8	R125 E126 V127 L131 Q132 T133 P434 W435	R125-F129 VanDerWaalsContact O-CB 3.24Å; R125-F129 WeakPolarHBondContact O-CB 3.26Å; R125-F129 PolarHBondContact O-N 3.43Å; E126-F129 WeakPolarHBondContact O-CB 3.26Å; E126-F129 PolarHBondContact O-N 2.88Å; V127-F129 VanDerWaalsContact C-N 3.33Å; V127-F129 PolarHBondContact O-N 3.16Å; F129-L131 VanDerWaalsContact C-N 3.31Å; F129-L131 PolarHBondContact O-N 3Å; F129-Q132 WeakPolarHBondContact O-CB 3.42Å; F129-Q132 PolarHBondContact O-N 3.4Å; F129-T133 PolarHBondContact O-N 3.38Å; F129-P434 HydrophobicContact CD1-CB 3.82Å; F129-P434 HydrophobicContact CE1-CB 3.76Å; F129-P434 WeakPolarHBondContact CE1-O 3.47Å; F129-P434 HydrophobicContact CZ-CB 4.5Å; F129-P434 WeakPolarHBondContact CZ-O 3.45Å; F129-W435 HydrophobicContact CD2-CB 4.16Å; F129-W435 HydrophobicContact CE2-CB 4.01Å
130	L	98.3	Very high	97.9	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.063	27%	0.268	C	S	.	.	H	α-helix	trans	-56	-44.9	175	-70.9	172	0	0	0	111.8	F110 N113 I114 T117 E126 V127 T133 P134 M280	F110-L130 HydrophobicContact CE2-CB 4.17Å; F110-L130 WeakPolarHBondContact CE2-O 3.43Å; N113-L130 HydrophobicContact CB-CD1 3.83Å; N113-L130 HydrophobicContact CB-CD2 3.72Å; N113-L130 HydrophobicContact CB-CG 4.45Å; I114-L130 HydrophobicContact CD1-CB 4.47Å; I114-L130 HydrophobicContact CD1-CD1 4.39Å; T117-L130 HydrophobicContact CG2-CD1 4.25Å; E126-L130 WeakPolarHBondContact O-CG 3.33Å; E126-L130 PolarHBondContact O-N 2.95Å; V127-L130 PolarHBondContact O-N 3.42Å; L130-T133 CarbonylContact O-C 3.57Å; L130-P134 VanDerWaalsContact O-CA 3.29Å; L130-P134 WeakPolarHBondContact O-CA 3.22Å; L130-M280 HydrophobicContact CD1-SD 3.81Å; L130-M280 HydrophobicContact CD2-SD 3.97Å; L130-M280 HydrophobicContact CG-CE 4.44Å; L130-M280 HydrophobicContact CG-SD 4.06Å
131	L	98.4	Very high	97.9	Very high	39 Å²	39	48.7 Å²	48.7	20%	0.204	26%	0.258	C	S	.	.	H	α-helix	trans	-76.2	-23.2	-178.3	-66.5	174.5	0	0	0	113.6	F110 I114 V122 V127 A128 F129 R180 A183	F110-L131 HydrophobicContact CZ-CD2 4.04Å; I114-L131 HydrophobicContact CD1-CD2 4.12Å; V122-L131 HydrophobicContact CG2-CD1 3.84Å; V127-L131 HydrophobicContact CG1-CD1 3.76Å; V127-L131 HydrophobicContact CG1-CG 4.27Å; V127-L131 WeakPolarHBondContact O-CB 3.45Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.44Å; V127-L131 PolarHBondContact O-N 2.96Å; A128-L131 PolarHBondContact O-N 2.91Å; F129-L131 VanDerWaalsContact C-N 3.31Å; F129-L131 PolarHBondContact O-N 3Å; L131-R180 HydrophobicContact CD2-CG 4.35Å; L131-R180 PolarHBondContact O-NE 2.79Å; L131-R180 PolarHBondContact O-NH2 3.24Å; L131-A183 HydrophobicContact CD2-CB 3.89Å
132	Q	97.5	Very high	97.9	Very high	138 Å²	138	44.9 Å²	44.9	65%	0.645	23%	0.233	S	C	*	.	H	α-helix	trans	-61.8	-48.8	175.6	-176.4	173.9	5.5	0	0	109.9	A128 F129 R180	A128-Q132 WeakPolarHBondContact O-CB 3.46Å; A128-Q132 PolarHBondContact O-N 3.45Å; F129-Q132 WeakPolarHBondContact O-CB 3.42Å; F129-Q132 PolarHBondContact O-N 3.4Å; Q132-R180 PolarHBondContact O-NH2 3.35Å
133	T	97.2	Very high	98	Very high	60 Å²	60	41 Å²	41	37%	0.368	21%	0.21	S	C	.	.			trans	-137.3	80.5	-180	-53.6	0	0	0	0	110.4	F129 L130 Q135 Q136	F129-T133 PolarHBondContact O-N 3.38Å; L130-T133 CarbonylContact O-C 3.57Å; T133-Q135 PolarHBondContact O-N 2.91Å; T133-Q136 HydrophobicContact CG2-CB 3.71Å; T133-Q136 HydrophobicContact CG2-CG 3.98Å
134	P	98.5	Very high	98	Very high	11 Å²	11	35.2 Å²	35.2	7%	0.071	18%	0.175	C	C	.	.	S	Bend	trans	-54.5	-41.3	-178.3	-28.5	35.5	0	0	0	113.3	F110 L130 N176 L179 R180	F110-P134 HydrophobicContact CD1-CB 4.36Å; F110-P134 HydrophobicContact CD2-CB 3.71Å; F110-P134 HydrophobicContact CE1-CB 4.26Å; F110-P134 HydrophobicContact CE2-CB 3.59Å; F110-P134 HydrophobicContact CE2-CG 4.07Å; F110-P134 HydrophobicContact CG-CB 4.1Å; F110-P134 HydrophobicContact CZ-CB 3.87Å; F110-P134 HydrophobicContact CZ-CG 4.18Å; L130-P134 VanDerWaalsContact O-CA 3.29Å; L130-P134 WeakPolarHBondContact O-CA 3.22Å; P134-N176 HydrophobicContact CG-CB 4.29Å; P134-L179 HydrophobicContact CB-CB 3.86Å; P134-L179 HydrophobicContact CB-CD1 3.77Å; P134-L179 HydrophobicContact CB-CG 4.48Å; P134-L179 HydrophobicContact CG-CB 4.45Å; P134-R180 HydrophobicContact CG-CG 3.9Å
135	Q	98.5	Very high	98	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.028	17%	0.167	C	C	.	.			trans	-147.7	160.3	164.2	65.5	72.9	50.1	0	0	110	K106 T133 N172 L175 N176 L179	K106-Q135 HydrophobicContact CB-CB 3.95Å; K106-Q135 HydrophobicContact CD-CB 4.3Å; T133-Q135 PolarHBondContact O-N 2.91Å; Q135-N172 PolarHBondContact NE2-OD1 3.48Å; Q135-N172 PolarHBondContact OE1-OD1 3.04Å; Q135-L175 HydrophobicContact CG-CD2 3.8Å; Q135-L175 HydrophobicContact CG-CG 4.18Å; Q135-N176 WeakPolarHBondContact CG-OD1 3.25Å; Q135-N176 PolarHBondContact N-OD1 3.21Å; Q135-N176 PolarHBondContact NE2-OD1 3.23Å; Q135-N176 PolarHBondContact O-ND2 3.29Å; Q135-N176 PolarHBondContact O-OD1 2.96Å; Q135-L179 HydrophobicContact CB-CD1 4.33Å; Q135-L179 HydrophobicContact CG-CD1 3.73Å
136	Q	98.3	Very high	98	Very high	81 Å²	81	26.5 Å²	26.5	38%	0.379	14%	0.139	S	C	.	.			trans	-143.6	170.1	171.5	57.4	-176.5	-30.2	0	0	110.9	K106 T133 L441	K106-Q136 PolarHBondContact NZ-O 3.29Å; T133-Q136 HydrophobicContact CG2-CB 3.71Å; T133-Q136 HydrophobicContact CG2-CG 3.98Å; Q136-L441 HydrophobicContact CG-CB 4.41Å; Q136-L441 HydrophobicContact CG-CD1 3.86Å
137	D	98.7	Very high	98	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.053	13%	0.126	C	C	.	.	S	Bend	trans	-65.7	-38.4	-179.9	-67.8	-4.3	0	0	0	112.8	G67 W70 F99 K103 S168 N172	G67-D137 VanDerWaalsContact C-CB 3.5Å; G67-D137 PolarHBondContact N-OD2 3.5Å; G67-D137 CarbonylContact O-C 3.56Å; G67-D137 VanDerWaalsContact O-CB 3.24Å; G67-D137 WeakPolarHBondContact O-CB 3.4Å; W70-D137 PolarHBondContact NE1-O 3.03Å; F99-D137 HydrophobicContact CE2-CB 4.08Å; F99-D137 VanDerWaalsContact CE2-OD1 3.32Å; F99-D137 WeakPolarHBondContact CE2-OD1 3.4Å; F99-D137 VanDerWaalsContact CZ-OD1 3.31Å; F99-D137 WeakPolarHBondContact CZ-OD1 3.41Å; K103-D137 WeakPolarHBondContact CE-OD1 3.34Å; K103-D137 IonicContact NZ-OD1 3.22Å; K103-D137 PolarHBondContact NZ-OD1 3.28Å; D137-S168 VanDerWaalsContact OD2-CB 3.25Å; D137-S168 WeakPolarHBondContact OD2-CB 3.35Å; D137-S168 PolarHBondContact OD2-OG 2.88Å; D137-N172 PolarHBondContact OD1-ND2 3.25Å; D137-N172 PolarHBondContact OD1-OD1 2.94Å
138	G	97.8	Very high	98	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.031	13%	0.127	C	C	.	.			trans	-65.8	162.3	-172.6	0	0	0	0	0	113.7	G67 W70 K106 A442	G67-G138 WeakPolarHBondContact O-CA 3.3Å; G67-G138 PolarHBondContact O-N 3.24Å; W70-G138 VanDerWaalsContact NE1-C 3.32Å; K106-G138 PolarHBondContact NZ-O 3.39Å; G138-A442 CarbonylContact C-O 3.58Å; G138-A442 WeakPolarHBondContact CA-O 3.33Å
139	G	98.1	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.			trans	-161.4	-168.9	-175.4	0	0	0	0	0	113	W70 A442	W70-G139 VanDerWaalsContact CD1-N 3.32Å; W70-G139 VanDerWaalsContact CD2-CA 3.41Å; W70-G139 VanDerWaalsContact CE2-CA 3.4Å; W70-G139 VanDerWaalsContact CE2-N 3.33Å; G139-A442 PolarHBondContact N-O 3.45Å; G139-A442 PolarHBondContact O-N 2.78Å
140	Q	97.7	Very high	97.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.13	C	C	.	.			trans	-133.9	166.7	-176.2	-74.4	-83.1	-6.7	0	0	109.8	M143 I144 L281 V290 Y292 Q409 M438 A440 L441	Q140-M143 HydrophobicContact CB-CG 4.22Å; Q140-M143 HydrophobicContact CB-SD 3.82Å; Q140-M143 HydrophobicContact CG-SD 4.25Å; Q140-M143 WeakPolarHBondContact O-CB 3.29Å; Q140-M143 PolarHBondContact O-N 3.47Å; Q140-I144 PolarHBondContact O-N 2.89Å; Q140-L281 HydrophobicContact CG-CD2 4.29Å; Q140-V290 HydrophobicContact CB-CG1 4.43Å; Q140-V290 HydrophobicContact CB-CG2 4.33Å; Q140-Y292 PolarHBondContact NE2-OH 3.02Å; Q140-Y292 PolarHBondContact OE1-OH 2.74Å; Q140-Y292 VanDerWaalsContact OE1-OH 3.08Å; Q140-Q409 VanDerWaalsContact OE1-OE1 3.11Å; Q140-M438 PolarHBondContact NE2-O 2.92Å; Q140-A440 PolarHBondContact NE2-O 2.95Å; Q140-L441 HydrophobicContact CG-CD2 3.77Å
141	W	97.9	Very high	97.9	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	13%	0.133	C	C	.	.	H	α-helix	trans	-57.4	-53.1	-178.7	177.6	-103.3	0	0	0	112.9	A74 M143 I144 V145 L256 Y259 W315 V411	A74-W141 HydrophobicContact CB-CE3 4.45Å; A74-W141 HydrophobicContact CB-CZ3 3.95Å; W141-M143 PolarHBondContact O-N 2.88Å; W141-M143 VanDerWaalsContact O-N 3.15Å; W141-I144 HydrophobicContact CD2-CG2 4.45Å; W141-I144 HydrophobicContact CE3-CG2 4.07Å; W141-I144 HydrophobicContact CZ3-CG2 4.44Å; W141-I144 WeakPolarHBondContact O-CG2 3.07Å; W141-I144 PolarHBondContact O-N 2.86Å; W141-V145 HydrophobicContact CD2-CG2 4.3Å; W141-V145 HydrophobicContact CG-CG2 4.43Å; W141-V145 HydrophobicContact CZ2-CG2 4.13Å; W141-V145 WeakPolarHBondContact O-CG2 3.36Å; W141-V145 PolarHBondContact O-N 3.44Å; W141-L256 HydrophobicContact CH2-CD2 4.21Å; W141-L256 HydrophobicContact CZ2-CD2 3.87Å; W141-Y259 HydrophobicContact CZ2-CD1 4.46Å; W141-Y259 HydrophobicContact CZ2-CG 4.14Å; W141-W315 HydrophobicContact CE3-CB 4.31Å; W141-W315 HydrophobicContact CE3-CD2 4.39Å; W141-W315 HydrophobicContact CE3-CG 4.07Å; W141-W315 HydrophobicContact CZ3-CB 4.17Å; W141-W315 HydrophobicContact CZ3-CG 4.26Å; W141-V411 HydrophobicContact CB-CG2 3.65Å; W141-V411 HydrophobicContact CD2-CB 4.09Å; W141-V411 HydrophobicContact CD2-CG1 3.54Å; W141-V411 HydrophobicContact CD2-CG2 3.55Å; W141-V411 HydrophobicContact CE3-CB 4.26Å; W141-V411 HydrophobicContact CE3-CG1 3.99Å; W141-V411 HydrophobicContact CE3-CG2 3.83Å; W141-V411 HydrophobicContact CG-CB 4.36Å; W141-V411 HydrophobicContact CG-CG1 3.98Å; W141-V411 HydrophobicContact CG-CG2 3.44Å; W141-V411 VanDerWaalsContact CG-CG2 3.44Å; W141-V411 HydrophobicContact CH2-CG1 4.05Å; W141-V411 HydrophobicContact CZ2-CG1 3.61Å; W141-V411 HydrophobicContact CZ3-CG1 4.22Å
142	D	97.6	Very high	97.8	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-26.3	-176.5	-62.4	-53.8	0	0	0	113	V145 S146 K288 V290 K291	D142-V145 PolarHBondContact O-N 3.23Å; D142-S146 PolarHBondContact O-N 2.97Å; D142-S146 PolarHBondContact O-OG 3.42Å; D142-K288 HydrophobicContact CB-CB 4.35Å; D142-K288 HydrophobicContact CB-CD 4.25Å; D142-K288 HydrophobicContact CB-CG 4.04Å; D142-K288 WeakPolarHBondContact OD1-CD 3.47Å; D142-K288 VanDerWaalsContact OD1-CE 3.26Å; D142-K288 WeakPolarHBondContact OD1-CE 3.16Å; D142-V290 HydrophobicContact CB-CG2 4.27Å; D142-V290 WeakPolarHBondContact OD2-CA 3.17Å; D142-K291 PolarHBondContact OD2-N 3.4Å
143	M	98.4	Very high	97.9	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-65.9	-38.5	172.3	-69.5	169.9	71	0	0	111.8	W70 Q140 W141 L147 N283 V290 L441	W70-M143 HydrophobicContact CH2-CB 4.2Å; W70-M143 HydrophobicContact CZ3-CB 3.85Å; Q140-M143 HydrophobicContact CB-CG 4.22Å; Q140-M143 HydrophobicContact CB-SD 3.82Å; Q140-M143 HydrophobicContact CG-SD 4.25Å; Q140-M143 WeakPolarHBondContact O-CB 3.29Å; Q140-M143 PolarHBondContact O-N 3.47Å; W141-M143 PolarHBondContact O-N 2.88Å; W141-M143 VanDerWaalsContact O-N 3.15Å; M143-L147 WeakPolarHBondContact O-CG 3.07Å; M143-L147 PolarHBondContact O-N 3.4Å; M143-N283 WeakPolarHBondContact CA-OD1 3.36Å; M143-N283 WeakPolarHBondContact CB-ND2 3.17Å; M143-N283 HydrophobicContact CE-CB 3.75Å; M143-N283 PolarHBondContact O-ND2 3.46Å; M143-N283 PolarHBondContact O-OD1 3.28Å; M143-V290 HydrophobicContact CG-CG2 4.05Å; M143-L441 HydrophobicContact SD-CD2 4Å
144	I	97.6	Very high	97.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-75.8	-35.9	178.2	-160.6	71.8	0	0	0	110.7	W70 M71 A74 T98 Q140 W141 S146 L147 F148	W70-I144 HydrophobicContact CE3-CB 3.87Å; W70-I144 HydrophobicContact CE3-CD1 4.24Å; W70-I144 HydrophobicContact CH2-CD1 4.35Å; W70-I144 HydrophobicContact CZ3-CB 3.63Å; W70-I144 HydrophobicContact CZ3-CD1 3.88Å; W70-I144 HydrophobicContact CZ3-CG1 4.32Å; M71-I144 HydrophobicContact CB-CD1 4.34Å; M71-I144 HydrophobicContact CG-CD1 4Å; A74-I144 HydrophobicContact CB-CG1 4.15Å; A74-I144 HydrophobicContact CB-CG2 3.83Å; T98-I144 HydrophobicContact CG2-CD1 4.18Å; Q140-I144 PolarHBondContact O-N 2.89Å; W141-I144 HydrophobicContact CD2-CG2 4.45Å; W141-I144 HydrophobicContact CE3-CG2 4.07Å; W141-I144 HydrophobicContact CZ3-CG2 4.44Å; W141-I144 WeakPolarHBondContact O-CG2 3.07Å; W141-I144 PolarHBondContact O-N 2.86Å; I144-S146 VanDerWaalsContact C-N 3.31Å; I144-S146 PolarHBondContact O-N 2.9Å; I144-L147 HydrophobicContact CD1-CD1 4.05Å; I144-L147 PolarHBondContact O-N 2.76Å; I144-L147 VanDerWaalsContact O-N 3.12Å; I144-F148 HydrophobicContact CB-CE2 4.24Å; I144-F148 HydrophobicContact CD1-CE1 4.19Å; I144-F148 HydrophobicContact CD1-CE2 4.49Å; I144-F148 HydrophobicContact CD1-CZ 4Å; I144-F148 HydrophobicContact CG1-CD1 4.48Å; I144-F148 HydrophobicContact CG1-CD2 4.03Å; I144-F148 HydrophobicContact CG1-CE1 3.89Å; I144-F148 HydrophobicContact CG1-CE2 3.37Å; I144-F148 HydrophobicContact CG1-CZ 3.3Å; I144-F148 HydrophobicContact CG2-CE2 4.01Å; I144-F148 WeakPolarHBondContact O-CD2 3.47Å; I144-F148 WeakPolarHBondContact O-CG 3.42Å; I144-F148 PolarHBondContact O-N 3.03Å
145	V	97.6	Very high	97.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57	-47.1	174	174.8	0	0	0	0	110.6	W141 D142 L147 F148 Q149 L256 K288	W141-V145 HydrophobicContact CD2-CG2 4.3Å; W141-V145 HydrophobicContact CG-CG2 4.43Å; W141-V145 HydrophobicContact CZ2-CG2 4.13Å; W141-V145 WeakPolarHBondContact O-CG2 3.36Å; W141-V145 PolarHBondContact O-N 3.44Å; D142-V145 PolarHBondContact O-N 3.23Å; V145-L147 VanDerWaalsContact C-N 3.25Å; V145-L147 PolarHBondContact O-N 3.34Å; V145-F148 PolarHBondContact O-N 3.34Å; V145-F148 VanDerWaalsContact O-N 3.17Å; V145-Q149 HydrophobicContact CG1-CG 4.21Å; V145-Q149 WeakPolarHBondContact O-CB 3.44Å; V145-Q149 WeakPolarHBondContact O-CG 3.37Å; V145-Q149 PolarHBondContact O-N 3.3Å; V145-L256 HydrophobicContact CB-CB 4.42Å; V145-L256 HydrophobicContact CB-CD1 4.42Å; V145-L256 HydrophobicContact CG1-CB 3.68Å; V145-L256 HydrophobicContact CG1-CD1 4.2Å; V145-L256 HydrophobicContact CG2-CB 3.99Å; V145-L256 HydrophobicContact CG2-CD1 4.19Å; V145-K288 HydrophobicContact CB-CD 4.15Å; V145-K288 HydrophobicContact CG1-CD 3.72Å
146	S	98	Very high	97.9	Very high	5 Å²	5	17.7 Å²	17.7	4%	0.035	8%	0.082	C	C	.	.	H	α-helix	trans	-57.8	-38.3	177.6	-60.4	0	0	0	0	112.5	D142 I144 K150 K288	D142-S146 PolarHBondContact O-N 2.97Å; D142-S146 PolarHBondContact O-OG 3.42Å; I144-S146 VanDerWaalsContact C-N 3.31Å; I144-S146 PolarHBondContact O-N 2.9Å; S146-K150 VanDerWaalsContact O-CB 3.25Å; S146-K150 WeakPolarHBondContact O-CB 3.47Å; S146-K150 PolarHBondContact O-N 2.78Å; S146-K150 VanDerWaalsContact O-N 3.11Å; S146-K288 WeakPolarHBondContact OG-CB 3.4Å; S146-K288 PolarHBondContact OG-N 3.46Å
147	L	98.3	Very high	97.8	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-71.7	-41.8	177.9	-64.7	166.9	0	0	0	111.9	W70 W101 D102 E105 M143 I144 V145 K150 Y151 N283 V284	W70-L147 HydrophobicContact CH2-CD1 4.21Å; W101-L147 HydrophobicContact CB-CD2 4.02Å; D102-L147 HydrophobicContact CB-CD1 3.56Å; D102-L147 HydrophobicContact CB-CD2 4.46Å; E105-L147 HydrophobicContact CG-CD2 4.36Å; M143-L147 WeakPolarHBondContact O-CG 3.07Å; M143-L147 PolarHBondContact O-N 3.4Å; I144-L147 HydrophobicContact CD1-CD1 4.05Å; I144-L147 PolarHBondContact O-N 2.76Å; I144-L147 VanDerWaalsContact O-N 3.12Å; V145-L147 VanDerWaalsContact C-N 3.25Å; V145-L147 PolarHBondContact O-N 3.34Å; L147-K150 PolarHBondContact O-N 2.92Å; L147-Y151 HydrophobicContact CD2-CD2 4.17Å; L147-Y151 HydrophobicContact CD2-CE2 4.22Å; L147-Y151 WeakPolarHBondContact O-CB 3.46Å; L147-Y151 PolarHBondContact O-N 2.92Å; L147-N283 WeakPolarHBondContact CD1-ND2 3.41Å; L147-V284 HydrophobicContact CD2-CG2 3.95Å; L147-V284 HydrophobicContact CG-CG2 4.42Å
148	F	97.4	Very high	97.8	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-45	177.1	-63.8	-34.5	0	0	0	112	A74 L75 F78 T98 I144 V145 K150 G152 V153 Y248 L256	A74-F148 HydrophobicContact CB-CE2 4.25Å; A74-F148 HydrophobicContact CB-CZ 4.36Å; L75-F148 HydrophobicContact CD2-CE1 3.61Å; L75-F148 HydrophobicContact CD2-CZ 3.61Å; L75-F148 HydrophobicContact CG-CE1 4.39Å; L75-F148 HydrophobicContact CG-CZ 4.1Å; F78-F148 HydrophobicContact CD2-CE2 4.33Å; F78-F148 HydrophobicContact CD2-CZ 4.39Å; F78-F148 AromaticContact CE2-CD2 3.57Å; F78-F148 HydrophobicContact CE2-CD2 3.57Å; F78-F148 HydrophobicContact CE2-CE1 4.31Å; F78-F148 AromaticContact CE2-CE2 3.27Å; F78-F148 HydrophobicContact CE2-CE2 3.27Å; F78-F148 HydrophobicContact CE2-CG 4.2Å; F78-F148 AromaticContact CE2-CZ 3.68Å; F78-F148 HydrophobicContact CE2-CZ 3.68Å; F78-F148 AromaticContact CZ-CD2 3.78Å; F78-F148 HydrophobicContact CZ-CD2 3.78Å; F78-F148 AromaticContact CZ-CE2 3.59Å; F78-F148 HydrophobicContact CZ-CE2 3.59Å; F78-F148 HydrophobicContact CZ-CZ 4.41Å; T98-F148 HydrophobicContact CG2-CD1 4.2Å; T98-F148 HydrophobicContact CG2-CE1 3.54Å; T98-F148 HydrophobicContact CG2-CZ 4.46Å; I144-F148 HydrophobicContact CB-CE2 4.24Å; I144-F148 HydrophobicContact CD1-CE1 4.19Å; I144-F148 HydrophobicContact CD1-CE2 4.49Å; I144-F148 HydrophobicContact CD1-CZ 4Å; I144-F148 HydrophobicContact CG1-CD1 4.48Å; I144-F148 HydrophobicContact CG1-CD2 4.03Å; I144-F148 HydrophobicContact CG1-CE1 3.89Å; I144-F148 HydrophobicContact CG1-CE2 3.37Å; I144-F148 HydrophobicContact CG1-CZ 3.3Å; I144-F148 HydrophobicContact CG2-CE2 4.01Å; I144-F148 WeakPolarHBondContact O-CD2 3.47Å; I144-F148 WeakPolarHBondContact O-CG 3.42Å; I144-F148 PolarHBondContact O-N 3.03Å; V145-F148 PolarHBondContact O-N 3.34Å; V145-F148 VanDerWaalsContact O-N 3.17Å; F148-K150 VanDerWaalsContact C-N 3.33Å; F148-K150 PolarHBondContact O-N 2.72Å; F148-G152 WeakPolarHBondContact O-CA 3.36Å; F148-G152 PolarHBondContact O-N 3Å; F148-V153 HydrophobicContact CD1-CG1 3.37Å; F148-V153 HydrophobicContact CE1-CG1 3.48Å; F148-V153 VanDerWaalsContact CE1-CG1 3.48Å; F148-V153 HydrophobicContact CG-CG1 4.32Å; F148-V153 HydrophobicContact CZ-CG1 4.49Å; F148-Y248 HydrophobicContact CB-CE2 4.05Å; F148-L256 HydrophobicContact CB-CD1 3.92Å; F148-L256 HydrophobicContact CD2-CD1 3.6Å; F148-L256 HydrophobicContact CG-CD1 4.24Å
149	Q	95.8	Very high	97.8	Very high	81 Å²	81	20 Å²	20	38%	0.379	10%	0.104	S	C	.	.	H	α-helix	trans	-63.9	-38.4	177.8	-71.4	173.8	-24.2	0	0	111.8	V145 D257	V145-Q149 HydrophobicContact CG1-CG 4.21Å; V145-Q149 WeakPolarHBondContact O-CB 3.44Å; V145-Q149 WeakPolarHBondContact O-CG 3.37Å; V145-Q149 PolarHBondContact O-N 3.3Å; Q149-D257 PolarHBondContact NE2-OD1 2.64Å; Q149-D257 PolarHBondContact NE2-OD2 3Å
150	K	97.7	Very high	97.8	Very high	95 Å²	95	23.8 Å²	23.8	41%	0.413	13%	0.13	S	C	.	.	H	α-helix	trans	-80.3	-41.3	-178.5	-169.1	166.8	-175.3	173.2	0	113.5	E105 S146 L147 F148 Q245 V284	E105-K150 WeakPolarHBondContact OE1-CD 3.48Å; E105-K150 WeakPolarHBondContact OE1-CE 2.98Å; E105-K150 IonicContact OE1-NZ 2.65Å; E105-K150 PolarHBondContact OE1-NZ 3.29Å; E105-K150 IonicContact OE2-NZ 2.74Å; S146-K150 VanDerWaalsContact O-CB 3.25Å; S146-K150 WeakPolarHBondContact O-CB 3.47Å; S146-K150 PolarHBondContact O-N 2.78Å; S146-K150 VanDerWaalsContact O-N 3.11Å; L147-K150 PolarHBondContact O-N 2.92Å; F148-K150 VanDerWaalsContact C-N 3.33Å; F148-K150 PolarHBondContact O-N 2.72Å; K150-Q245 PolarHBondContact O-NE2 3.46Å; K150-Q245 VanDerWaalsContact O-NE2 3.09Å; K150-V284 HydrophobicContact CD-CG1 3.93Å
151	Y	98.2	Very high	97.9	Very high	34 Å²	34	25.9 Å²	25.9	13%	0.133	14%	0.139	C	C	.	.	H	α-helix	trans	-118.6	-10.1	-168.6	-61.2	-72.6	0	0	0	114.6	Y97 W101 E105 L147 P244	Y97-Y151 WeakPolarHBondContact CE1-O 3.42Å; Y97-Y151 PolarHBondContact OH-O 3.46Å; W101-Y151 HydrophobicContact CB-CD2 3.61Å; W101-Y151 HydrophobicContact CB-CE2 3.75Å; W101-Y151 HydrophobicContact CB-CG 4.04Å; W101-Y151 AromaticContact CD1-CD1 3.96Å; W101-Y151 AromaticContact CD1-CG 3.66Å; W101-Y151 AromaticContact CD2-CD1 3.45Å; W101-Y151 HydrophobicContact CD2-CD1 3.45Å; W101-Y151 VanDerWaalsContact CD2-CD1 3.45Å; W101-Y151 HydrophobicContact CD2-CD2 4.11Å; W101-Y151 AromaticContact CD2-CE1 3.43Å; W101-Y151 HydrophobicContact CD2-CE1 3.43Å; W101-Y151 VanDerWaalsContact CD2-CE1 3.43Å; W101-Y151 HydrophobicContact CD2-CE2 4.08Å; W101-Y151 AromaticContact CD2-CG 3.79Å; W101-Y151 HydrophobicContact CD2-CG 3.79Å; W101-Y151 AromaticContact CD2-CZ 3.73Å; W101-Y151 AromaticContact CE2-CD1 3.47Å; W101-Y151 VanDerWaalsContact CE2-CD1 3.47Å; W101-Y151 AromaticContact CE2-CE1 3.77Å; W101-Y151 AromaticContact CE3-CD1 3.86Å; W101-Y151 HydrophobicContact CE3-CD1 3.86Å; W101-Y151 AromaticContact CE3-CE1 3.29Å; W101-Y151 HydrophobicContact CE3-CE1 3.29Å; W101-Y151 HydrophobicContact CE3-CE2 4.11Å; W101-Y151 HydrophobicContact CE3-CG 4.45Å; W101-Y151 AromaticContact CE3-CZ 3.41Å; W101-Y151 VanDerWaalsContact CE3-CZ 3.41Å; W101-Y151 AromaticContact CG-CD1 3.79Å; W101-Y151 HydrophobicContact CG-CD1 3.79Å; W101-Y151 AromaticContact CG-CD2 3.68Å; W101-Y151 HydrophobicContact CG-CD2 3.68Å; W101-Y151 HydrophobicContact CG-CE1 4.07Å; W101-Y151 AromaticContact CG-CE2 3.96Å; W101-Y151 HydrophobicContact CG-CE2 3.96Å; W101-Y151 AromaticContact CG-CG 3.57Å; W101-Y151 HydrophobicContact CG-CG 3.57Å; W101-Y151 HydrophobicContact CH2-CD1 4.29Å; W101-Y151 AromaticContact CH2-CE1 3.91Å; W101-Y151 HydrophobicContact CH2-CE1 3.91Å; W101-Y151 AromaticContact CZ2-CD1 3.91Å; W101-Y151 HydrophobicContact CZ2-CD1 3.91Å; W101-Y151 HydrophobicContact CZ2-CE1 4.01Å; W101-Y151 HydrophobicContact CZ3-CD1 4.27Å; W101-Y151 AromaticContact CZ3-CE1 3.56Å; W101-Y151 HydrophobicContact CZ3-CE1 3.56Å; W101-Y151 AromaticContact CZ3-CZ 3.99Å; W101-Y151 AromaticContact NE1-CD1 3.76Å; W101-Y151 AromaticContact NE1-CG 3.89Å; E105-Y151 HydrophobicContact CG-CE2 3.95Å; E105-Y151 PolarHBondContact OE1-OH 3.19Å; L147-Y151 HydrophobicContact CD2-CD2 4.17Å; L147-Y151 HydrophobicContact CD2-CE2 4.22Å; L147-Y151 WeakPolarHBondContact O-CB 3.46Å; L147-Y151 PolarHBondContact O-N 2.92Å; Y151-P244 WeakPolarHBondContact O-CB 3.39Å
152	G	98	Very high	97.9	Very high	2 Å²	2	27 Å²	27	2%	0.021	15%	0.148	C	C	.	.			trans	66.3	-155.6	-174	0	0	0	0	0	113.1	F148	F148-G152 WeakPolarHBondContact O-CA 3.36Å; F148-G152 PolarHBondContact O-N 3Å
153	V	98.2	Very high	98	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	18%	0.179	C	C	.	.			trans	-140.7	160	179.2	-60	0	0	0	0	110.6	L75 L93 F148 P244 F247 Y248 V252	L75-V153 HydrophobicContact CD2-CG1 4.11Å; L93-V153 HydrophobicContact CD1-CG2 4.39Å; L93-V153 HydrophobicContact CD2-CB 4.36Å; L93-V153 HydrophobicContact CD2-CG2 3.95Å; F148-V153 HydrophobicContact CD1-CG1 3.37Å; F148-V153 HydrophobicContact CE1-CG1 3.48Å; F148-V153 VanDerWaalsContact CE1-CG1 3.48Å; F148-V153 HydrophobicContact CG-CG1 4.32Å; F148-V153 HydrophobicContact CZ-CG1 4.49Å; V153-P244 PolarHBondContact N-O 3.48Å; V153-P244 WeakPolarHBondContact O-CA 3.46Å; V153-P244 VanDerWaalsContact O-O 3.13Å; V153-F247 HydrophobicContact CG2-CD1 3.74Å; V153-F247 HydrophobicContact CG2-CE1 3.92Å; V153-F247 WeakPolarHBondContact O-CD1 3.41Å; V153-Y248 HydrophobicContact CG1-CD2 4.2Å; V153-Y248 HydrophobicContact CG2-CD2 4.05Å; V153-V252 HydrophobicContact CG2-CG2 3.8Å
154	V	98.5	Very high	98	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.189	C	C	.	.			trans	-134.4	154	176.4	-54.9	0	0	0	0	110.9	L93 S94 Y97 V158 M159 P222 F225 P244	L93-V154 CarbonylContact C-O 3.43Å; S94-V154 PolarHBondContact N-O 2.91Å; Y97-V154 HydrophobicContact CD1-CG2 4.46Å; Y97-V154 HydrophobicContact CD2-CG1 4.05Å; Y97-V154 HydrophobicContact CD2-CG2 3.72Å; Y97-V154 HydrophobicContact CE2-CG1 3.98Å; Y97-V154 HydrophobicContact CE2-CG2 4.48Å; Y97-V154 HydrophobicContact CG-CG1 4.38Å; Y97-V154 HydrophobicContact CG-CG2 3.72Å; V154-V158 HydrophobicContact CB-CB 4.27Å; V154-V158 HydrophobicContact CB-CG1 3.99Å; V154-V158 HydrophobicContact CG1-CG1 4.41Å; V154-V158 HydrophobicContact CG2-CB 4.43Å; V154-V158 HydrophobicContact CG2-CG1 4.24Å; V154-M159 HydrophobicContact CG2-CB 4.06Å; V154-P222 HydrophobicContact CG1-CG 4.38Å; V154-F225 HydrophobicContact CB-CE1 4.12Å; V154-F225 HydrophobicContact CB-CZ 4.1Å; V154-F225 HydrophobicContact CG1-CD1 4.26Å; V154-F225 HydrophobicContact CG1-CE1 3.46Å; V154-F225 VanDerWaalsContact CG1-CE1 3.46Å; V154-F225 HydrophobicContact CG1-CZ 3.84Å; V154-P244 HydrophobicContact CG1-CB 3.76Å; V154-P244 HydrophobicContact CG1-CG 3.66Å
155	P	97.7	Very high	98	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-55.2	146.6	167.5	-26.8	35.6	0	0	0	112.5	F91 S157 V158 M159 F225 F227 F247	F91-P155 HydrophobicContact CE2-CB 3.94Å; F91-P155 HydrophobicContact CE2-CG 4.2Å; F91-P155 HydrophobicContact CZ-CB 4.35Å; F91-P155 HydrophobicContact CZ-CG 4.42Å; P155-S157 PolarHBondContact O-N 3.39Å; P155-S157 VanDerWaalsContact O-N 3.17Å; P155-V158 HydrophobicContact CB-CG2 4.12Å; P155-V158 HydrophobicContact CG-CG2 4.21Å; P155-V158 WeakPolarHBondContact O-CB 3.12Å; P155-V158 PolarHBondContact O-N 2.83Å; P155-M159 PolarHBondContact O-N 2.8Å; P155-F225 HydrophobicContact CG-CE2 4.28Å; P155-F227 HydrophobicContact CB-CD2 4.3Å; P155-F227 HydrophobicContact CB-CE2 4.27Å; P155-F227 HydrophobicContact CG-CD2 3.62Å; P155-F227 HydrophobicContact CG-CE2 3.86Å; P155-F227 HydrophobicContact CG-CG 4.2Å; P155-F247 HydrophobicContact CG-CD2 4.27Å; P155-F247 HydrophobicContact CG-CE2 3.62Å; P155-F247 HydrophobicContact CG-CZ 3.8Å
156	K	98.1	Very high	98.1	Very high	45 Å²	45	34 Å²	34	20%	0.196	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.2	176.9	-168.3	-174.2	-167.2	107.1	0	113.1	E92 V158 M159 P160	E92-K156 HydrophobicContact CB-CB 3.9Å; E92-K156 HydrophobicContact CB-CD 3.78Å; E92-K156 HydrophobicContact CB-CG 4.46Å; E92-K156 VanDerWaalsContact CD-NZ 3.34Å; E92-K156 HydrophobicContact CG-CD 4.33Å; E92-K156 WeakPolarHBondContact O-CB 3.26Å; E92-K156 PolarHBondContact O-N 2.66Å; E92-K156 IonicContact OE1-NZ 2.83Å; E92-K156 PolarHBondContact OE1-NZ 3.14Å; E92-K156 VanDerWaalsContact OE2-CD 3.29Å; E92-K156 WeakPolarHBondContact OE2-CD 3.43Å; E92-K156 WeakPolarHBondContact OE2-CE 3.25Å; E92-K156 IonicContact OE2-NZ 2.66Å; E92-K156 PolarHBondContact OE2-NZ 3.21Å; K156-V158 VanDerWaalsContact C-N 3.25Å; K156-V158 PolarHBondContact O-N 2.68Å; K156-M159 CarbonylContact O-C 3.5Å; K156-P160 VanDerWaalsContact O-CA 3.26Å; K156-P160 WeakPolarHBondContact O-CA 3.45Å
157	S	96.9	Very high	98.1	Very high	99 Å²	99	36.1 Å²	36.1	69%	0.692	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.9	175.7	51	0	0	0	0	113.6	P155	P155-S157 PolarHBondContact O-N 3.39Å; P155-S157 VanDerWaalsContact O-N 3.17Å
158	V	98.4	Very high	98.1	Very high	36 Å²	36	36.4 Å²	36.4	22%	0.218	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-35.5	-177.2	166.6	0	0	0	0	111.4	V154 P155 K156 P222 F225	V154-V158 HydrophobicContact CB-CB 4.27Å; V154-V158 HydrophobicContact CB-CG1 3.99Å; V154-V158 HydrophobicContact CG1-CG1 4.41Å; V154-V158 HydrophobicContact CG2-CB 4.43Å; V154-V158 HydrophobicContact CG2-CG1 4.24Å; P155-V158 HydrophobicContact CB-CG2 4.12Å; P155-V158 HydrophobicContact CG-CG2 4.21Å; P155-V158 WeakPolarHBondContact O-CB 3.12Å; P155-V158 PolarHBondContact O-N 2.83Å; K156-V158 VanDerWaalsContact C-N 3.25Å; K156-V158 PolarHBondContact O-N 2.68Å; V158-P222 HydrophobicContact CG1-CB 4Å; V158-P222 HydrophobicContact CG1-CG 3.52Å; V158-F225 HydrophobicContact CB-CD2 4.45Å; V158-F225 HydrophobicContact CB-CG 4.41Å; V158-F225 HydrophobicContact CG1-CB 3.78Å; V158-F225 HydrophobicContact CG1-CD1 3.77Å; V158-F225 HydrophobicContact CG1-CD2 4.09Å; V158-F225 HydrophobicContact CG1-CE1 4.35Å; V158-F225 HydrophobicContact CG1-CG 3.61Å; V158-F225 HydrophobicContact CG2-CB 4.1Å; V158-F225 HydrophobicContact CG2-CD2 3.63Å; V158-F225 HydrophobicContact CG2-CE2 4.23Å; V158-F225 HydrophobicContact CG2-CG 3.94Å
159	M	98.6	Very high	98.2	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.034	24%	0.235	C	C	.	.	S	Bend	trans	-133.1	90.9	168.1	-173	168.9	-176.8	0	0	109.4	S94 N96 Y97 F100 V154 P155 K156 P221 P222	S94-M159 WeakPolarHBondContact CB-O 3.49Å; S94-M159 PolarHBondContact OG-O 3.5Å; N96-M159 HydrophobicContact CB-CG 4.5Å; Y97-M159 VanDerWaalsContact CA-SD 3.58Å; Y97-M159 HydrophobicContact CD2-SD 3.68Å; Y97-M159 HydrophobicContact CG-SD 4.26Å; F100-M159 HydrophobicContact CB-CE 4.13Å; F100-M159 HydrophobicContact CD2-CE 4.33Å; F100-M159 HydrophobicContact CG-CE 4.49Å; V154-M159 HydrophobicContact CG2-CB 4.06Å; P155-M159 PolarHBondContact O-N 2.8Å; K156-M159 CarbonylContact O-C 3.5Å; M159-P221 HydrophobicContact CE-CG 4.37Å; M159-P221 HydrophobicContact SD-CB 4.43Å; M159-P222 HydrophobicContact CB-CG 4.34Å
160	P	98.4	Very high	98.3	Very high	81 Å²	81	43.9 Å²	43.9	53%	0.526	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-70.1	169.5	-177.4	29.1	-35.5	0	0	0	112	N96 K156	N96-P160 PolarHBondContact ND2-O 3.04Å; K156-P160 VanDerWaalsContact O-CA 3.26Å; K156-P160 WeakPolarHBondContact O-CA 3.45Å
161	E	98.7	Very high	98.4	Very high	45 Å²	45	39.6 Å²	39.6	21%	0.21	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-62.1	141.3	170.3	-72.1	-72.4	120.2	0	0	111.5	R68 S165 S166	R68-E161 IonicContact CZ-OE1 3.45Å; R68-E161 IonicContact CZ-OE2 2.68Å; R68-E161 IonicContact NH1-OE1 3.23Å; R68-E161 PolarHBondContact NH1-OE1 3.36Å; R68-E161 IonicContact NH1-OE2 3.24Å; R68-E161 PolarHBondContact NH1-OE2 3.43Å; R68-E161 IonicContact NH2-OE1 2.69Å; R68-E161 PolarHBondContact NH2-OE1 2.92Å; R68-E161 IonicContact NH2-OE2 2.78Å; R68-E161 PolarHBondContact NH2-OE2 2.69Å; E161-S165 WeakPolarHBondContact CA-OG 3.37Å; E161-S165 WeakPolarHBondContact OE2-CB 3.13Å; E161-S165 PolarHBondContact OE2-OG 2.84Å; E161-S166 PolarHBondContact OE2-N 3.29Å; E161-S166 PolarHBondContact OE2-OG 2.81Å
162	S	98.6	Very high	98.4	Very high	27 Å²	27	39 Å²	39	19%	0.189	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-100.5	172.3	167.7	68.9	0	0	0	0	110.7	N164 S165 S166 S217	S162-N164 PolarHBondContact O-N 3.28Å; S162-N164 PolarHBondContact OG-N 2.89Å; S162-S165 PolarHBondContact N-OG 3.41Å; S162-S165 PolarHBondContact O-N 2.69Å; S162-S165 PolarHBondContact O-OG 3.41Å; S162-S165 VanDerWaalsContact O-OG 3.09Å; S162-S165 PolarHBondContact OG-N 3.12Å; S162-S165 PolarHBondContact OG-OG 3.08Å; S162-S166 WeakPolarHBondContact O-CB 3.11Å; S162-S166 PolarHBondContact O-N 2.66Å; S162-S217 PolarHBondContact OG-O 3.22Å
163	S	98.6	Very high	98.4	Very high	98 Å²	98	43.4 Å²	43.4	69%	0.685	24%	0.241	S	C	*	.	H	α-helix	trans	-57.5	-39	170.6	-173.5	0	0	0	0	111.5	N167	S163-N167 PolarHBondContact O-N 3.1Å
164	N	98.6	Very high	98.5	Very high	40 Å²	40	50.5 Å²	50.5	21%	0.214	27%	0.269	C	S	.	.	H	α-helix	trans	-81.8	-26.9	-176.3	-66.2	-54.3	0	0	0	113.2	S162 S166 N167 S168 L171 S217 L218	S162-N164 PolarHBondContact O-N 3.28Å; S162-N164 PolarHBondContact OG-N 2.89Å; N164-S166 VanDerWaalsContact C-N 3.34Å; N164-N167 WeakPolarHBondContact CA-O 3.33Å; N164-N167 CarbonylContact O-C 3.5Å; N164-S168 WeakPolarHBondContact O-CA 3.42Å; N164-S168 PolarHBondContact O-N 2.9Å; N164-L171 HydrophobicContact CB-CB 4.25Å; N164-L171 HydrophobicContact CB-CD2 4.41Å; N164-S217 PolarHBondContact ND2-O 3.45Å; N164-L218 HydrophobicContact CB-CD2 4.09Å
165	S	98.7	Very high	98.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-38.1	171.8	70.5	0	0	0	0	110.5	S66 R68 N96 E161 S162	S66-S165 WeakPolarHBondContact CB-O 3.39Å; S66-S165 PolarHBondContact OG-O 3.23Å; R68-S165 PolarHBondContact NE-O 3.49Å; R68-S165 PolarHBondContact NH2-O 3.38Å; N96-S165 WeakPolarHBondContact OD1-CB 3.35Å; E161-S165 WeakPolarHBondContact CA-OG 3.37Å; E161-S165 WeakPolarHBondContact OE2-CB 3.13Å; E161-S165 PolarHBondContact OE2-OG 2.84Å; S162-S165 PolarHBondContact N-OG 3.41Å; S162-S165 PolarHBondContact O-N 2.69Å; S162-S165 PolarHBondContact O-OG 3.41Å; S162-S165 VanDerWaalsContact O-OG 3.09Å; S162-S165 PolarHBondContact OG-N 3.12Å; S162-S165 PolarHBondContact OG-OG 3.08Å
166	S	98.6	Very high	98.5	Very high	13 Å²	13	51.3 Å²	51.3	9%	0.091	27%	0.273	C	S	.	.	H	α-helix	trans	-80.8	-13.3	177	-77.8	0	0	0	0	114.5	K64 Q65 E161 S162 N164	K64-S166 VanDerWaalsContact CB-O 3.32Å; K64-S166 WeakPolarHBondContact CB-O 3.46Å; K64-S166 WeakPolarHBondContact CD-OG 3.42Å; K64-S166 PolarHBondContact NZ-OG 2.83Å; Q65-S166 PolarHBondContact N-O 2.82Å; E161-S166 PolarHBondContact OE2-N 3.29Å; E161-S166 PolarHBondContact OE2-OG 2.81Å; S162-S166 WeakPolarHBondContact O-CB 3.11Å; S162-S166 PolarHBondContact O-N 2.66Å; N164-S166 VanDerWaalsContact C-N 3.34Å
167	N	98.7	Very high	98.6	Very high	51 Å²	51	56.3 Å²	56.3	27%	0.273	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-152.8	91.1	174.8	-179.2	-0.8	0	0	0	110	Q65 S163 N164 R169	Q65-N167 HydrophobicContact CB-CB 4.15Å; Q65-N167 WeakPolarHBondContact O-CA 3.34Å; Q65-N167 PolarHBondContact OE1-ND2 2.98Å; S163-N167 PolarHBondContact O-N 3.1Å; N164-N167 WeakPolarHBondContact CA-O 3.33Å; N164-N167 CarbonylContact O-C 3.5Å; N167-R169 PolarHBondContact O-N 2.85Å
168	S	98.7	Very high	98.6	Very high	7 Å²	7	52.9 Å²	52.9	5%	0.049	27%	0.269	C	S	.	.			trans	-86.6	-2.1	-165.2	59.9	0	0	0	0	115.1	Q65 D137 N164 D170 L171 N172	Q65-S168 PolarHBondContact O-N 2.98Å; D137-S168 VanDerWaalsContact OD2-CB 3.25Å; D137-S168 WeakPolarHBondContact OD2-CB 3.35Å; D137-S168 PolarHBondContact OD2-OG 2.88Å; N164-S168 WeakPolarHBondContact O-CA 3.42Å; N164-S168 PolarHBondContact O-N 2.9Å; S168-D170 PolarHBondContact O-N 2.88Å; S168-L171 PolarHBondContact O-N 2.82Å; S168-N172 WeakPolarHBondContact O-CB 3.26Å; S168-N172 PolarHBondContact O-N 2.88Å; S168-N172 PolarHBondContact O-ND2 2.87Å; S168-N172 PolarHBondContact OG-ND2 3.15Å
169	R	98.5	Very high	98.7	Very high	159 Å²	159	51.2 Å²	51.2	60%	0.6	26%	0.259	S	S	*	.	H	α-helix	trans	-56.3	-49	-172	-177.4	178.3	62.6	-168.5	-5.6	112.8	N167 N172 N173	N167-R169 PolarHBondContact O-N 2.85Å; R169-N172 PolarHBondContact O-N 2.76Å; R169-N173 WeakPolarHBondContact O-CB 3.15Å; R169-N173 PolarHBondContact O-N 3.05Å; R169-N173 PolarHBondContact O-ND2 3.12Å
170	D	98.5	Very high	98.7	Very high	81 Å²	81	55.4 Å²	55.4	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-70.3	-43.1	-176.9	-72.7	-1.8	0	0	0	110.9	S168 N172 N173 Y174	S168-D170 PolarHBondContact O-N 2.88Å; D170-N172 PolarHBondContact O-N 2.95Å; D170-N173 PolarHBondContact O-N 3.44Å; D170-Y174 HydrophobicContact CB-CE2 4.42Å; D170-Y174 WeakPolarHBondContact O-CD2 3.08Å; D170-Y174 PolarHBondContact O-N 3.27Å
171	L	98.8	Very high	98.7	Very high	4 Å²	4	57 Å²	57	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-52.7	-52.4	172.7	169.3	57.7	0	0	0	111.3	F99 K103 N164 S168 N173 Y174 L175 L213 L214 L218	F99-L171 HydrophobicContact CE1-CD2 3.97Å; F99-L171 HydrophobicContact CZ-CD2 4.44Å; K103-L171 HydrophobicContact CD-CD2 4.12Å; K103-L171 HydrophobicContact CD-CG 4.37Å; N164-L171 HydrophobicContact CB-CB 4.25Å; N164-L171 HydrophobicContact CB-CD2 4.41Å; S168-L171 PolarHBondContact O-N 2.82Å; L171-N173 PolarHBondContact O-N 3.42Å; L171-Y174 PolarHBondContact O-N 2.9Å; L171-L175 VanDerWaalsContact O-CB 3.25Å; L171-L175 WeakPolarHBondContact O-CB 3.32Å; L171-L175 PolarHBondContact O-N 3.46Å; L171-L213 HydrophobicContact CD1-CD2 3.37Å; L171-L214 HydrophobicContact CD1-CD2 4Å; L171-L218 HydrophobicContact CD2-CD1 4.11Å; L171-L218 HydrophobicContact CD2-CD2 3.81Å; L171-L218 HydrophobicContact CD2-CG 4.09Å
172	N	98.8	Very high	98.7	Very high	22 Å²	22	55 Å²	55	12%	0.118	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-39.9	179.8	-75.9	-33.8	0	0	0	112.5	K103 Q135 D137 S168 R169 D170 N176	K103-N172 WeakPolarHBondContact CE-OD1 3.26Å; K103-N172 PolarHBondContact NZ-OD1 3.31Å; Q135-N172 PolarHBondContact NE2-OD1 3.48Å; Q135-N172 PolarHBondContact OE1-OD1 3.04Å; D137-N172 PolarHBondContact OD1-ND2 3.25Å; D137-N172 PolarHBondContact OD1-OD1 2.94Å; S168-N172 WeakPolarHBondContact O-CB 3.26Å; S168-N172 PolarHBondContact O-N 2.88Å; S168-N172 PolarHBondContact O-ND2 2.87Å; S168-N172 PolarHBondContact OG-ND2 3.15Å; R169-N172 PolarHBondContact O-N 2.76Å; D170-N172 PolarHBondContact O-N 2.95Å; N172-N176 WeakPolarHBondContact O-CB 3.41Å; N172-N176 VanDerWaalsContact O-CG 3.26Å; N172-N176 PolarHBondContact O-N 3.48Å
173	N	98.6	Very high	98.7	Very high	95 Å²	95	53.8 Å²	53.8	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-48.1	177.7	-75.3	-22.3	0	0	0	111.9	R169 D170 L171 K177	R169-N173 WeakPolarHBondContact O-CB 3.15Å; R169-N173 PolarHBondContact O-N 3.05Å; R169-N173 PolarHBondContact O-ND2 3.12Å; D170-N173 PolarHBondContact O-N 3.44Å; L171-N173 PolarHBondContact O-N 3.42Å; N173-K177 WeakPolarHBondContact O-CB 3.48Å; N173-K177 PolarHBondContact O-N 2.81Å; N173-K177 VanDerWaalsContact O-N 3.09Å
174	Y	98.7	Very high	98.7	Very high	150 Å²	150	54 Å²	54	59%	0.588	25%	0.252	S	S	*	.	H	α-helix	trans	-73.8	-40.5	-178.9	-70.1	-65.4	0	0	0	112.4	D170 L171 K177 L178	D170-Y174 HydrophobicContact CB-CE2 4.42Å; D170-Y174 WeakPolarHBondContact O-CD2 3.08Å; D170-Y174 PolarHBondContact O-N 3.27Å; L171-Y174 PolarHBondContact O-N 2.9Å; Y174-K177 PolarHBondContact O-N 2.95Å; Y174-L178 WeakPolarHBondContact O-CB 3.43Å; Y174-L178 PolarHBondContact O-N 2.9Å
175	L	98.9	Very high	98.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-48.9	175.6	-178.5	57.3	0	0	0	110.9	K103 Q135 L171 K177 L178 L179 V210 L213 L214	K103-L175 HydrophobicContact CB-CD2 4.34Å; K103-L175 HydrophobicContact CD-CD2 3.73Å; Q135-L175 HydrophobicContact CG-CD2 3.8Å; Q135-L175 HydrophobicContact CG-CG 4.18Å; L171-L175 VanDerWaalsContact O-CB 3.25Å; L171-L175 WeakPolarHBondContact O-CB 3.32Å; L171-L175 PolarHBondContact O-N 3.46Å; L175-K177 VanDerWaalsContact C-N 3.26Å; L175-K177 PolarHBondContact O-N 2.85Å; L175-L178 WeakPolarHBondContact O-CA 3.44Å; L175-L178 WeakPolarHBondContact O-CB 3.17Å; L175-L178 PolarHBondContact O-N 3.11Å; L175-L179 HydrophobicContact CD1-CD1 4.29Å; L175-L179 HydrophobicContact CD1-CD2 4.34Å; L175-L179 HydrophobicContact CD1-CG 4.11Å; L175-L179 HydrophobicContact CG-CD1 4.08Å; L175-L179 HydrophobicContact CG-CG 4.32Å; L175-L179 WeakPolarHBondContact O-CG 3.21Å; L175-L179 PolarHBondContact O-N 2.88Å; L175-V210 HydrophobicContact CD1-CG1 4Å; L175-V210 HydrophobicContact CD1-CG2 4.11Å; L175-L213 HydrophobicContact CB-CD2 4.32Å; L175-L214 HydrophobicContact CD2-CD2 4.31Å
176	N	98.9	Very high	98.7	Very high	18 Å²	18	55.7 Å²	55.7	10%	0.096	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-29.1	178.5	-71.3	-11.3	0	0	0	112.7	P134 Q135 N172 R180	P134-N176 HydrophobicContact CG-CB 4.29Å; Q135-N176 WeakPolarHBondContact CG-OD1 3.25Å; Q135-N176 PolarHBondContact N-OD1 3.21Å; Q135-N176 PolarHBondContact NE2-OD1 3.23Å; Q135-N176 PolarHBondContact O-ND2 3.29Å; Q135-N176 PolarHBondContact O-OD1 2.96Å; N172-N176 WeakPolarHBondContact O-CB 3.41Å; N172-N176 VanDerWaalsContact O-CG 3.26Å; N172-N176 PolarHBondContact O-N 3.48Å; N176-R180 WeakPolarHBondContact O-CB 3.37Å; N176-R180 VanDerWaalsContact O-CG 3.25Å; N176-R180 WeakPolarHBondContact O-CG 3.4Å; N176-R180 PolarHBondContact O-N 2.9Å; N176-R180 VanDerWaalsContact O-N 3.14Å; N176-R180 PolarHBondContact O-NH1 2.96Å
177	K	98.8	Very high	98.6	Very high	149 Å²	149	57.2 Å²	57.2	65%	0.648	26%	0.264	S	S	*	.	H	α-helix	trans	-67	-42.5	171.2	-176	175.9	-178.4	178.1	0	111.4	N173 Y174 L175 K181	N173-K177 WeakPolarHBondContact O-CB 3.48Å; N173-K177 PolarHBondContact O-N 2.81Å; N173-K177 VanDerWaalsContact O-N 3.09Å; Y174-K177 PolarHBondContact O-N 2.95Å; L175-K177 VanDerWaalsContact C-N 3.26Å; L175-K177 PolarHBondContact O-N 2.85Å; K177-K181 PolarHBondContact O-N 3.41Å; K177-K181 VanDerWaalsContact O-N 3.16Å
178	L	98.8	Very high	98.6	Very high	28 Å²	28	58.8 Å²	58.8	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-48.8	176.7	-176.5	62.5	0	0	0	111.4	Y174 L175 R180 K181 H182 E209 V210 L213	Y174-L178 WeakPolarHBondContact O-CB 3.43Å; Y174-L178 PolarHBondContact O-N 2.9Å; L175-L178 WeakPolarHBondContact O-CA 3.44Å; L175-L178 WeakPolarHBondContact O-CB 3.17Å; L175-L178 PolarHBondContact O-N 3.11Å; L178-R180 VanDerWaalsContact C-N 3.34Å; L178-R180 PolarHBondContact O-N 3.44Å; L178-K181 WeakPolarHBondContact O-CA 3.45Å; L178-K181 WeakPolarHBondContact O-CB 3.26Å; L178-K181 PolarHBondContact O-N 2.67Å; L178-H182 WeakPolarHBondContact CD1-NE2 3.32Å; L178-H182 PolarHBondContact O-N 3.1Å; L178-E209 WeakPolarHBondContact CD1-OE2 3.37Å; L178-E209 HydrophobicContact CD2-CB 4.18Å; L178-V210 HydrophobicContact CD2-CG2 4.15Å; L178-L213 HydrophobicContact CD2-CD1 4.03Å
179	L	98.9	Very high	98.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-41	178.7	-63.9	178.5	0	0	0	112.3	A107 F110 Y111 P134 Q135 L175 K181 H182 A183 V210	A107-L179 HydrophobicContact CB-CD1 4.41Å; A107-L179 HydrophobicContact CB-CD2 3.65Å; F110-L179 HydrophobicContact CD1-CB 3.94Å; F110-L179 HydrophobicContact CD1-CD1 4.49Å; F110-L179 HydrophobicContact CD1-CD2 4.37Å; F110-L179 HydrophobicContact CD1-CG 4.48Å; F110-L179 HydrophobicContact CE1-CB 3.83Å; F110-L179 WeakPolarHBondContact CE1-O 3.42Å; Y111-L179 HydrophobicContact CE1-CD2 3.56Å; Y111-L179 WeakPolarHBondContact OH-CD2 3.5Å; P134-L179 HydrophobicContact CB-CB 3.86Å; P134-L179 HydrophobicContact CB-CD1 3.77Å; P134-L179 HydrophobicContact CB-CG 4.48Å; P134-L179 HydrophobicContact CG-CB 4.45Å; Q135-L179 HydrophobicContact CB-CD1 4.33Å; Q135-L179 HydrophobicContact CG-CD1 3.73Å; L175-L179 HydrophobicContact CD1-CD1 4.29Å; L175-L179 HydrophobicContact CD1-CD2 4.34Å; L175-L179 HydrophobicContact CD1-CG 4.11Å; L175-L179 HydrophobicContact CG-CD1 4.08Å; L175-L179 HydrophobicContact CG-CG 4.32Å; L175-L179 WeakPolarHBondContact O-CG 3.21Å; L175-L179 PolarHBondContact O-N 2.88Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 3.43Å; L179-H182 WeakPolarHBondContact O-CB 3.24Å; L179-H182 PolarHBondContact O-N 2.91Å; L179-A183 PolarHBondContact O-N 3.39Å; L179-V210 HydrophobicContact CD2-CG2 4.17Å
180	R	98.8	Very high	98.4	Very high	95 Å²	95	55 Å²	55	36%	0.358	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-36.1	174.1	-71.3	176.3	-167.6	113.3	-5.1	112.9	L131 Q132 P134 N176 L178 A183 V184	L131-R180 HydrophobicContact CD2-CG 4.35Å; L131-R180 PolarHBondContact O-NE 2.79Å; L131-R180 PolarHBondContact O-NH2 3.24Å; Q132-R180 PolarHBondContact O-NH2 3.35Å; P134-R180 HydrophobicContact CG-CG 3.9Å; N176-R180 WeakPolarHBondContact O-CB 3.37Å; N176-R180 VanDerWaalsContact O-CG 3.25Å; N176-R180 WeakPolarHBondContact O-CG 3.4Å; N176-R180 PolarHBondContact O-N 2.9Å; N176-R180 VanDerWaalsContact O-N 3.14Å; N176-R180 PolarHBondContact O-NH1 2.96Å; L178-R180 VanDerWaalsContact C-N 3.34Å; L178-R180 PolarHBondContact O-N 3.44Å; R180-A183 PolarHBondContact O-N 3.09Å; R180-V184 WeakPolarHBondContact O-CG2 3.44Å; R180-V184 PolarHBondContact O-N 3.23Å
181	K	98.7	Very high	98.2	Very high	115 Å²	115	57.5 Å²	57.5	50%	0.5	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-43.6	171.8	176.1	-164.6	168.6	-153.6	0	110.4	K177 L178 L179 A183 V184 L185	K177-K181 PolarHBondContact O-N 3.41Å; K177-K181 VanDerWaalsContact O-N 3.16Å; L178-K181 WeakPolarHBondContact O-CA 3.45Å; L178-K181 WeakPolarHBondContact O-CB 3.26Å; L178-K181 PolarHBondContact O-N 2.67Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 3.43Å; K181-A183 VanDerWaalsContact C-N 3.33Å; K181-A183 PolarHBondContact O-N 3.22Å; K181-V184 WeakPolarHBondContact O-CB 3.32Å; K181-V184 PolarHBondContact O-N 3.18Å; K181-L185 PolarHBondContact O-N 3.04Å
182	H	98.8	Very high	98	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.009	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-38.6	177	-64.8	170.9	0	0	0	112	Y111 L178 L179 V184 L185 L186 M206 E209	Y111-H182 HydrophobicContact CD1-CB 4.38Å; Y111-H182 HydrophobicContact CE1-CB 3.64Å; Y111-H182 AromaticContact CE1-ND1 3.73Å; Y111-H182 AromaticContact CZ-ND1 3.51Å; Y111-H182 PolarHBondContact OH-ND1 2.83Å; L178-H182 WeakPolarHBondContact CD1-NE2 3.32Å; L178-H182 PolarHBondContact O-N 3.1Å; L179-H182 WeakPolarHBondContact O-CB 3.24Å; L179-H182 PolarHBondContact O-N 2.91Å; H182-V184 VanDerWaalsContact C-N 3.28Å; H182-V184 PolarHBondContact O-N 2.84Å; H182-L185 WeakPolarHBondContact O-CB 3.46Å; H182-L185 PolarHBondContact O-N 3.46Å; H182-L186 WeakPolarHBondContact O-CG 3.46Å; H182-L186 PolarHBondContact O-N 2.85Å; H182-M206 HydrophobicContact CB-CG 4.29Å; H182-M206 HydrophobicContact CB-SD 3.71Å; H182-E209 IonicContact CE1-OE2 3.35Å; H182-E209 IonicContact NE2-OE2 3.53Å; H182-E209 PolarHBondContact NE2-OE2 3.49Å
183	A	98.8	Very high	97.9	Very high	2 Å²	2	71 Å²	71	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-37.5	175.5	0	0	0	0	0	113	F110 I114 L131 L179 R180 K181 L185 R187	F110-A183 HydrophobicContact CE1-CB 4.01Å; F110-A183 HydrophobicContact CZ-CB 3.97Å; I114-A183 HydrophobicContact CD1-CB 3.9Å; I114-A183 HydrophobicContact CG1-CB 3.93Å; I114-A183 HydrophobicContact CG2-CB 4.1Å; L131-A183 HydrophobicContact CD2-CB 3.89Å; L179-A183 PolarHBondContact O-N 3.39Å; R180-A183 PolarHBondContact O-N 3.09Å; K181-A183 VanDerWaalsContact C-N 3.33Å; K181-A183 PolarHBondContact O-N 3.22Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-R187 WeakPolarHBondContact O-CB 3.4Å; A183-R187 WeakPolarHBondContact O-CG 3.37Å; A183-R187 PolarHBondContact O-N 3.47Å; A183-R187 VanDerWaalsContact O-N 3.09Å
184	V	98.4	Very high	97.9	Very high	102 Å²	102	67.5 Å²	67.5	62%	0.618	32%	0.32	S	S	*	.	H	α-helix	trans	-59.9	-46.7	173	173.3	0	0	0	0	110.5	R180 K181 H182 Q188	R180-V184 WeakPolarHBondContact O-CG2 3.44Å; R180-V184 PolarHBondContact O-N 3.23Å; K181-V184 WeakPolarHBondContact O-CB 3.32Å; K181-V184 PolarHBondContact O-N 3.18Å; H182-V184 VanDerWaalsContact C-N 3.28Å; H182-V184 PolarHBondContact O-N 2.84Å; V184-Q188 WeakPolarHBondContact O-CB 3.08Å; V184-Q188 PolarHBondContact O-N 2.75Å
185	L	98.1	Very high	97.8	Very high	75 Å²	75	63.5 Å²	63.5	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-49.7	-178.4	-63.3	174.7	0	0	0	111.6	K181 H182 A183 R187 Q188 M189 M206	K181-L185 PolarHBondContact O-N 3.04Å; H182-L185 WeakPolarHBondContact O-CB 3.46Å; H182-L185 PolarHBondContact O-N 3.46Å; A183-L185 VanDerWaalsContact C-N 3.34Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 3.28Å; L185-Q188 WeakPolarHBondContact O-CB 3.14Å; L185-Q188 PolarHBondContact O-N 3.18Å; L185-Q188 VanDerWaalsContact O-N 3.14Å; L185-M189 VanDerWaalsContact O-CG 3.3Å; L185-M189 WeakPolarHBondContact O-CG 3.49Å; L185-M189 PolarHBondContact O-N 3.44Å; L185-M206 HydrophobicContact CB-CE 3.64Å; L185-M206 HydrophobicContact CD1-CE 3.86Å; L185-M206 HydrophobicContact CG-CE 4.4Å
186	L	98.5	Very high	97.7	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-44.4	180	-68.1	171.2	0	0	0	111.7	Y111 I114 L115 H182 M189 I190 R203 M206	Y111-L186 HydrophobicContact CD1-CD1 3.68Å; Y111-L186 HydrophobicContact CG-CD1 3.91Å; I114-L186 HydrophobicContact CG2-CB 4.07Å; I114-L186 HydrophobicContact CG2-CD1 4.36Å; L115-L186 HydrophobicContact CD2-CB 4.08Å; L115-L186 HydrophobicContact CD2-CD2 4.21Å; H182-L186 WeakPolarHBondContact O-CG 3.46Å; H182-L186 PolarHBondContact O-N 2.85Å; L186-M189 PolarHBondContact O-N 3.21Å; L186-I190 WeakPolarHBondContact O-CG1 3.34Å; L186-I190 PolarHBondContact O-N 3.34Å; L186-R203 HydrophobicContact CD2-CG 3.86Å; L186-M206 HydrophobicContact CD1-SD 4.36Å; L186-M206 HydrophobicContact CD2-CE 4.15Å; L186-M206 HydrophobicContact CD2-SD 3.97Å; L186-M206 HydrophobicContact CG-CE 4.22Å; L186-M206 HydrophobicContact CG-SD 4.01Å
187	R	98	Very high	97.6	Very high	45 Å²	45	76.9 Å²	76.9	17%	0.17	37%	0.373	C	S	.	.	H	α-helix	trans	-67.9	-35.9	177.5	-67	177.3	64.1	82.5	14.6	112.6	I114 T117 A118 Q120 A183 L185 M189 I190 L191	I114-R187 HydrophobicContact CG2-CG 3.66Å; T117-R187 PolarHBondContact O-NH1 3.49Å; A118-R187 HydrophobicContact CB-CG 4.49Å; A118-R187 PolarHBondContact O-NH2 3.34Å; Q120-R187 PolarHBondContact O-NH2 3.03Å; A183-R187 WeakPolarHBondContact O-CB 3.4Å; A183-R187 WeakPolarHBondContact O-CG 3.37Å; A183-R187 PolarHBondContact O-N 3.47Å; A183-R187 VanDerWaalsContact O-N 3.09Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 3.28Å; R187-M189 VanDerWaalsContact C-N 3.34Å; R187-I190 PolarHBondContact O-N 3.31Å; R187-L191 PolarHBondContact O-N 3.05Å; R187-L191 VanDerWaalsContact O-N 3.1Å
188	Q	96.9	Very high	97.6	Very high	84 Å²	84	74.7 Å²	74.7	39%	0.393	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-40.2	174.9	-174.7	62.5	36	0	0	111.2	V184 L185 I190 L191 E192	V184-Q188 WeakPolarHBondContact O-CB 3.08Å; V184-Q188 PolarHBondContact O-N 2.75Å; L185-Q188 WeakPolarHBondContact O-CB 3.14Å; L185-Q188 PolarHBondContact O-N 3.18Å; L185-Q188 VanDerWaalsContact O-N 3.14Å; Q188-I190 VanDerWaalsContact C-N 3.33Å; Q188-I190 PolarHBondContact O-N 2.71Å; Q188-L191 WeakPolarHBondContact O-CB 3.4Å; Q188-L191 PolarHBondContact O-N 3.37Å; Q188-L191 VanDerWaalsContact O-N 3.15Å; Q188-E192 HydrophobicContact CG-CG 4.42Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.4Å; Q188-E192 PolarHBondContact NE2-OE1 2.81Å; Q188-E192 WeakPolarHBondContact O-CB 3.42Å; Q188-E192 WeakPolarHBondContact O-CG 3.39Å; Q188-E192 PolarHBondContact O-N 2.52Å
189	M	97.3	Very high	97.5	Very high	20 Å²	20	74.4 Å²	74.4	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-62	-40.2	176.9	-69.1	176.2	75	0	0	112.2	L185 L186 R187 E192 E193 A194 E198 I199 N202	L185-M189 VanDerWaalsContact O-CG 3.3Å; L185-M189 WeakPolarHBondContact O-CG 3.49Å; L185-M189 PolarHBondContact O-N 3.44Å; L186-M189 PolarHBondContact O-N 3.21Å; R187-M189 VanDerWaalsContact C-N 3.34Å; M189-E192 CarbonylContact O-C 3.49Å; M189-E192 PolarHBondContact O-N 2.9Å; M189-E193 PolarHBondContact O-N 3.24Å; M189-A194 HydrophobicContact CB-CB 3.84Å; M189-A194 HydrophobicContact CE-CB 4.05Å; M189-A194 HydrophobicContact CG-CB 4.47Å; M189-A194 VanDerWaalsContact O-CB 3.32Å; M189-A194 WeakPolarHBondContact O-CB 3.08Å; M189-A194 PolarHBondContact O-N 3.31Å; M189-E198 HydrophobicContact CE-CB 4.22Å; M189-E198 WeakPolarHBondContact CE-O 3.44Å; M189-I199 HydrophobicContact CB-CG1 4.35Å; M189-I199 VanDerWaalsContact CE-CA 3.48Å; M189-I199 HydrophobicContact CE-CB 4.3Å; M189-I199 HydrophobicContact CE-CG1 3.86Å; M189-N202 HydrophobicContact CE-CB 3.94Å; M189-N202 VanDerWaalsContact CE-ND2 3.32Å; M189-N202 WeakPolarHBondContact CE-ND2 3.42Å; M189-N202 HydrophobicContact SD-CB 3.82Å
190	I	96.4	Very high	97.5	Very high	67 Å²	67	78.2 Å²	78.2	34%	0.344	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-41.6	173.7	-63.1	-65.7	0	0	0	111.2	L115 A118 L186 R187 Q188 E192 E193 I199	L115-I190 HydrophobicContact CD2-CD1 4.05Å; L115-I190 HydrophobicContact CD2-CG1 4.01Å; A118-I190 HydrophobicContact CB-CB 3.87Å; A118-I190 HydrophobicContact CB-CG1 3.67Å; A118-I190 HydrophobicContact CB-CG2 3.78Å; L186-I190 WeakPolarHBondContact O-CG1 3.34Å; L186-I190 PolarHBondContact O-N 3.34Å; R187-I190 PolarHBondContact O-N 3.31Å; Q188-I190 VanDerWaalsContact C-N 3.33Å; Q188-I190 PolarHBondContact O-N 2.71Å; I190-E192 VanDerWaalsContact C-N 3.27Å; I190-E192 PolarHBondContact O-N 2.79Å; I190-E193 PolarHBondContact O-N 3.04Å; I190-I199 HydrophobicContact CD1-CD1 3.66Å
191	L	93.9	Very high	97.4	Very high	133 Å²	133	76.3 Å²	76.3	70%	0.696	39%	0.386	S	S	*	.	H	α-helix	trans	-64.9	-31.5	176.6	-178	65	0	0	0	112.9	R187 Q188 E193	R187-L191 PolarHBondContact O-N 3.05Å; R187-L191 VanDerWaalsContact O-N 3.1Å; Q188-L191 WeakPolarHBondContact O-CB 3.4Å; Q188-L191 PolarHBondContact O-N 3.37Å; Q188-L191 VanDerWaalsContact O-N 3.15Å; L191-E193 VanDerWaalsContact C-N 3.29Å
192	E	95.9	Very high	97.4	Very high	131 Å²	131	74.1 Å²	74.1	61%	0.612	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	5.3	178	-70.4	174.3	178.5	0	0	113.3	Q188 M189 I190 A194	Q188-E192 HydrophobicContact CG-CG 4.42Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.4Å; Q188-E192 PolarHBondContact NE2-OE1 2.81Å; Q188-E192 WeakPolarHBondContact O-CB 3.42Å; Q188-E192 WeakPolarHBondContact O-CG 3.39Å; Q188-E192 PolarHBondContact O-N 2.52Å; M189-E192 CarbonylContact O-C 3.49Å; M189-E192 PolarHBondContact O-N 2.9Å; I190-E192 VanDerWaalsContact C-N 3.27Å; I190-E192 PolarHBondContact O-N 2.79Å; E192-A194 PolarHBondContact O-N 3.44Å
193	E	96.6	Very high	97.4	Very high	178 Å²	178	74.9 Å²	74.9	83%	0.832	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	36.6	-178.3	-56.7	-179.4	178.1	0	0	113	M189 I190 L191	M189-E193 PolarHBondContact O-N 3.24Å; I190-E193 PolarHBondContact O-N 3.04Å; L191-E193 VanDerWaalsContact C-N 3.29Å
194	A	97.4	Very high	97.4	Very high	23 Å²	23	80.4 Å²	80.4	19%	0.19	41%	0.408	C	S	.	.			trans	-57.4	146.5	175.3	0	0	0	0	0	111.3	M189 E192 E198 I199	M189-A194 HydrophobicContact CB-CB 3.84Å; M189-A194 HydrophobicContact CE-CB 4.05Å; M189-A194 HydrophobicContact CG-CB 4.47Å; M189-A194 VanDerWaalsContact O-CB 3.32Å; M189-A194 WeakPolarHBondContact O-CB 3.08Å; M189-A194 PolarHBondContact O-N 3.31Å; E192-A194 PolarHBondContact O-N 3.44Å; A194-E198 WeakPolarHBondContact CA-OE2 3.41Å; A194-E198 HydrophobicContact CB-CB 4.3Å; A194-I199 HydrophobicContact CB-CG1 4.21Å
195	T	97.5	Very high	97.4	Very high	65 Å²	65	78.2 Å²	78.2	40%	0.399	40%	0.401	S	S	.	.			trans	-72	160.3	179.7	85.6	0	0	0	0	111.6	E197 E198 I199	T195-E197 VanDerWaalsContact CB-OE2 3.3Å; T195-E197 WeakPolarHBondContact CB-OE2 3.34Å; T195-E197 PolarHBondContact O-N 3.12Å; T195-E197 PolarHBondContact OG1-N 3Å; T195-E197 PolarHBondContact OG1-OE2 3.44Å; T195-E198 PolarHBondContact N-OE2 3.2Å; T195-E198 PolarHBondContact O-N 3.42Å; T195-E198 VanDerWaalsContact O-N 3.08Å; T195-E198 PolarHBondContact OG1-N 2.89Å; T195-I199 WeakPolarHBondContact O-CG1 3.39Å; T195-I199 PolarHBondContact O-N 3.09Å
196	E	96.4	Very high	97.4	Very high	163 Å²	163	75 Å²	75	76%	0.762	38%	0.384	S	S	*	.	H	α-helix	trans	-57.4	-38.1	176.1	-171.8	176.5	172.8	0	0	111.4	I199 Q200	E196-I199 PolarHBondContact O-N 2.86Å; E196-Q200 VanDerWaalsContact O-CB 3.3Å; E196-Q200 WeakPolarHBondContact O-CB 3.25Å; E196-Q200 PolarHBondContact O-N 3.4Å
197	E	97.6	Very high	97.4	Very high	137 Å²	137	76 Å²	76	64%	0.64	39%	0.389	S	S	*	.	H	α-helix	trans	-65.4	-39.3	175.6	-58.4	81.7	-178.6	0	0	112.5	T195 Q200 A201	T195-E197 VanDerWaalsContact CB-OE2 3.3Å; T195-E197 WeakPolarHBondContact CB-OE2 3.34Å; T195-E197 PolarHBondContact O-N 3.12Å; T195-E197 PolarHBondContact OG1-N 3Å; T195-E197 PolarHBondContact OG1-OE2 3.44Å; E197-Q200 PolarHBondContact O-N 3.33Å; E197-A201 WeakPolarHBondContact O-CB 3.49Å; E197-A201 PolarHBondContact O-N 3.37Å
198	E	97.8	Very high	97.4	Very high	103 Å²	103	78.9 Å²	78.9	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-44	176.8	-69.3	176.9	141	0	0	111.2	M189 A194 T195 A201 N202	M189-E198 HydrophobicContact CE-CB 4.22Å; M189-E198 WeakPolarHBondContact CE-O 3.44Å; A194-E198 WeakPolarHBondContact CA-OE2 3.41Å; A194-E198 HydrophobicContact CB-CB 4.3Å; T195-E198 PolarHBondContact N-OE2 3.2Å; T195-E198 PolarHBondContact O-N 3.42Å; T195-E198 VanDerWaalsContact O-N 3.08Å; T195-E198 PolarHBondContact OG1-N 2.89Å; E198-A201 PolarHBondContact O-N 3.3Å; E198-N202 PolarHBondContact O-N 3.03Å; E198-N202 VanDerWaalsContact O-N 3.08Å; E198-N202 PolarHBondContact O-ND2 2.96Å
199	I	97.9	Very high	97.5	Very high	22 Å²	22	79 Å²	79	11%	0.113	41%	0.405	C	S	.	.	H	α-helix	trans	-59.5	-49.2	175	-66.6	167	0	0	0	109.8	L115 M189 I190 A194 T195 E196 A201 N202 R203	L115-I199 HydrophobicContact CD1-CG2 3.97Å; L115-I199 HydrophobicContact CD2-CG2 3.93Å; M189-I199 HydrophobicContact CB-CG1 4.35Å; M189-I199 VanDerWaalsContact CE-CA 3.48Å; M189-I199 HydrophobicContact CE-CB 4.3Å; M189-I199 HydrophobicContact CE-CG1 3.86Å; I190-I199 HydrophobicContact CD1-CD1 3.66Å; A194-I199 HydrophobicContact CB-CG1 4.21Å; T195-I199 WeakPolarHBondContact O-CG1 3.39Å; T195-I199 PolarHBondContact O-N 3.09Å; E196-I199 PolarHBondContact O-N 2.86Å; I199-A201 PolarHBondContact O-N 3Å; I199-N202 PolarHBondContact O-N 2.99Å; I199-R203 HydrophobicContact CG2-CG 4.39Å; I199-R203 WeakPolarHBondContact O-CG 3.42Å; I199-R203 PolarHBondContact O-N 2.86Å
200	Q	97.5	Very high	97.6	Very high	79 Å²	79	78 Å²	78	37%	0.369	40%	0.4	S	S	.	.	H	α-helix	trans	-62	-44.8	-179.4	-178	56.2	23.5	0	0	112.3	E196 E197 N202 R203 E204	E196-Q200 VanDerWaalsContact O-CB 3.3Å; E196-Q200 WeakPolarHBondContact O-CB 3.25Å; E196-Q200 PolarHBondContact O-N 3.4Å; E197-Q200 PolarHBondContact O-N 3.33Å; Q200-N202 VanDerWaalsContact C-N 3.3Å; Q200-N202 PolarHBondContact O-N 3.33Å; Q200-R203 WeakPolarHBondContact O-CB 3.5Å; Q200-R203 PolarHBondContact O-N 2.99Å; Q200-E204 PolarHBondContact NE2-OE1 2.91Å; Q200-E204 PolarHBondContact O-N 2.76Å
201	A	97.9	Very high	97.7	Very high	56 Å²	56	78.2 Å²	78.2	46%	0.463	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-39	177	0	0	0	0	0	112.4	E197 E198 I199 A205	E197-A201 WeakPolarHBondContact O-CB 3.49Å; E197-A201 PolarHBondContact O-N 3.37Å; E198-A201 PolarHBondContact O-N 3.3Å; I199-A201 PolarHBondContact O-N 3Å; A201-A205 PolarHBondContact O-N 3.43Å
202	N	98.3	Very high	98	Very high	68 Å²	68	75.5 Å²	75.5	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-68	-40.5	175.1	-84.8	-87.6	0	0	0	111.9	M189 E198 I199 Q200 E204 A205 M206	M189-N202 HydrophobicContact CE-CB 3.94Å; M189-N202 VanDerWaalsContact CE-ND2 3.32Å; M189-N202 WeakPolarHBondContact CE-ND2 3.42Å; M189-N202 HydrophobicContact SD-CB 3.82Å; E198-N202 PolarHBondContact O-N 3.03Å; E198-N202 VanDerWaalsContact O-N 3.08Å; E198-N202 PolarHBondContact O-ND2 2.96Å; I199-N202 PolarHBondContact O-N 2.99Å; Q200-N202 VanDerWaalsContact C-N 3.3Å; Q200-N202 PolarHBondContact O-N 3.33Å; N202-E204 PolarHBondContact O-N 3.19Å; N202-A205 PolarHBondContact O-N 3.47Å; N202-M206 HydrophobicContact CB-CE 4.18Å; N202-M206 WeakPolarHBondContact O-CB 3.26Å; N202-M206 WeakPolarHBondContact O-CG 3.5Å; N202-M206 PolarHBondContact O-N 3.32Å
203	R	97.9	Very high	98.1	Very high	19 Å²	19	70.9 Å²	70.9	7%	0.072	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-42.2	175.8	-73.5	178	68.8	-177.3	0.8	112.5	N108 E112 L186 I199 Q200 A205 M206 L207	N108-R203 PolarHBondContact OD1-NH2 3.37Å; E112-R203 IonicContact OE1-CZ 3.05Å; E112-R203 IonicContact OE1-NH1 2.64Å; E112-R203 PolarHBondContact OE1-NH1 2.9Å; E112-R203 IonicContact OE1-NH2 2.69Å; E112-R203 PolarHBondContact OE1-NH2 3.23Å; E112-R203 IonicContact OE2-NH1 3.84Å; L186-R203 HydrophobicContact CD2-CG 3.86Å; I199-R203 HydrophobicContact CG2-CG 4.39Å; I199-R203 WeakPolarHBondContact O-CG 3.42Å; I199-R203 PolarHBondContact O-N 2.86Å; Q200-R203 WeakPolarHBondContact O-CB 3.5Å; Q200-R203 PolarHBondContact O-N 2.99Å; R203-A205 VanDerWaalsContact C-N 3.35Å; R203-A205 PolarHBondContact O-N 3.13Å; R203-M206 WeakPolarHBondContact O-CB 3.39Å; R203-M206 PolarHBondContact O-N 3.14Å; R203-L207 WeakPolarHBondContact O-CB 3.46Å; R203-L207 WeakPolarHBondContact O-CG 3.31Å; R203-L207 PolarHBondContact O-N 2.8Å
204	E	98.2	Very high	98.2	Very high	117 Å²	117	62.4 Å²	62.4	55%	0.547	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-44.6	176.1	-73.4	178.5	-171.3	0	0	111.5	Q200 N202 M206 L207 Q208	Q200-E204 PolarHBondContact NE2-OE1 2.91Å; Q200-E204 PolarHBondContact O-N 2.76Å; N202-E204 PolarHBondContact O-N 3.19Å; E204-M206 PolarHBondContact O-N 2.72Å; E204-L207 PolarHBondContact O-N 2.74Å; E204-Q208 PolarHBondContact O-N 3.45Å
205	A	98.5	Very high	98.3	Very high	57 Å²	57	62.2 Å²	62.2	47%	0.471	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-42.3	174.8	0	0	0	0	0	112.2	A201 N202 R203 Q208 E209	A201-A205 PolarHBondContact O-N 3.43Å; N202-A205 PolarHBondContact O-N 3.47Å; R203-A205 VanDerWaalsContact C-N 3.35Å; R203-A205 PolarHBondContact O-N 3.13Å; A205-Q208 WeakPolarHBondContact O-CB 2.95Å; A205-Q208 PolarHBondContact O-N 3.34Å; A205-E209 PolarHBondContact O-N 3.38Å; A205-E209 VanDerWaalsContact O-N 3.13Å
206	M	98.8	Very high	98.3	Very high	8 Å²	8	66 Å²	66	4%	0.039	34%	0.338	C	S	.	.	H	α-helix	trans	-63.1	-40.5	175.7	-71.4	172.8	-168.4	0	0	112.2	Y111 H182 L185 L186 N202 R203 E204 E209 V210	Y111-M206 HydrophobicContact CE2-CB 4.09Å; H182-M206 HydrophobicContact CB-CG 4.29Å; H182-M206 HydrophobicContact CB-SD 3.71Å; L185-M206 HydrophobicContact CB-CE 3.64Å; L185-M206 HydrophobicContact CD1-CE 3.86Å; L185-M206 HydrophobicContact CG-CE 4.4Å; L186-M206 HydrophobicContact CD1-SD 4.36Å; L186-M206 HydrophobicContact CD2-CE 4.15Å; L186-M206 HydrophobicContact CD2-SD 3.97Å; L186-M206 HydrophobicContact CG-CE 4.22Å; L186-M206 HydrophobicContact CG-SD 4.01Å; N202-M206 HydrophobicContact CB-CE 4.18Å; N202-M206 WeakPolarHBondContact O-CB 3.26Å; N202-M206 WeakPolarHBondContact O-CG 3.5Å; N202-M206 PolarHBondContact O-N 3.32Å; R203-M206 WeakPolarHBondContact O-CB 3.39Å; R203-M206 PolarHBondContact O-N 3.14Å; E204-M206 PolarHBondContact O-N 2.72Å; M206-E209 PolarHBondContact O-N 2.83Å; M206-V210 WeakPolarHBondContact O-CG2 3.38Å; M206-V210 PolarHBondContact O-N 3.44Å; M206-V210 VanDerWaalsContact O-N 3.11Å
207	L	98.7	Very high	98.4	Very high	22 Å²	22	59.4 Å²	59.4	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-67.6	-35.2	174.7	-77	174.6	0	0	0	112	Y104 N108 Y111 R203 E204 E209 V210 Y211	Y104-L207 HydrophobicContact CE2-CB 4.37Å; Y104-L207 HydrophobicContact CE2-CD2 4.21Å; N108-L207 HydrophobicContact CB-CD1 4.41Å; N108-L207 HydrophobicContact CB-CD2 3.89Å; Y111-L207 HydrophobicContact CD2-CD2 4.22Å; Y111-L207 HydrophobicContact CD2-CG 4.35Å; Y111-L207 HydrophobicContact CE2-CD2 3.69Å; Y111-L207 HydrophobicContact CE2-CG 3.91Å; R203-L207 WeakPolarHBondContact O-CB 3.46Å; R203-L207 WeakPolarHBondContact O-CG 3.31Å; R203-L207 PolarHBondContact O-N 2.8Å; E204-L207 PolarHBondContact O-N 2.74Å; L207-E209 VanDerWaalsContact C-N 3.31Å; L207-E209 PolarHBondContact O-N 3.44Å; L207-V210 PolarHBondContact O-N 3.11Å; L207-Y211 WeakPolarHBondContact O-CB 3.42Å; L207-Y211 PolarHBondContact O-N 3.49Å
208	Q	98.8	Very high	98.5	Very high	105 Å²	105	53.1 Å²	53.1	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-40	172.6	-176.2	63.8	72.6	0	0	111.7	E204 A205 Y211 N212	E204-Q208 PolarHBondContact O-N 3.45Å; A205-Q208 WeakPolarHBondContact O-CB 2.95Å; A205-Q208 PolarHBondContact O-N 3.34Å; Q208-Y211 PolarHBondContact O-N 2.84Å; Q208-N212 PolarHBondContact NE2-OD1 2.8Å; Q208-N212 WeakPolarHBondContact O-CB 3.19Å; Q208-N212 PolarHBondContact O-N 2.95Å; Q208-N212 PolarHBondContact O-ND2 3.17Å; Q208-N212 PolarHBondContact O-OD1 3.42Å
209	E	98.8	Very high	98.5	Very high	86 Å²	86	49.9 Å²	49.9	40%	0.402	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-42.6	173.5	-66.9	-171.7	176	0	0	111.8	L178 H182 A205 M206 L207 N212 L213	L178-E209 WeakPolarHBondContact CD1-OE2 3.37Å; L178-E209 HydrophobicContact CD2-CB 4.18Å; H182-E209 IonicContact CE1-OE2 3.35Å; H182-E209 IonicContact NE2-OE2 3.53Å; H182-E209 PolarHBondContact NE2-OE2 3.49Å; A205-E209 PolarHBondContact O-N 3.38Å; A205-E209 VanDerWaalsContact O-N 3.13Å; M206-E209 PolarHBondContact O-N 2.83Å; L207-E209 VanDerWaalsContact C-N 3.31Å; L207-E209 PolarHBondContact O-N 3.44Å; E209-N212 PolarHBondContact O-N 2.98Å; E209-L213 WeakPolarHBondContact O-CB 3.31Å; E209-L213 PolarHBondContact O-N 2.92Å
210	V	98.9	Very high	98.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-48.2	175.3	172.8	0	0	0	0	111.2	Y104 A107 Y111 L175 L178 L179 M206 L207 N212 L213 L214	Y104-V210 HydrophobicContact CD2-CG1 4.11Å; A107-V210 HydrophobicContact CB-CB 4.45Å; A107-V210 HydrophobicContact CB-CG1 3.76Å; A107-V210 HydrophobicContact CB-CG2 4.03Å; Y111-V210 VanDerWaalsContact OH-CG2 3.22Å; Y111-V210 WeakPolarHBondContact OH-CG2 3.28Å; L175-V210 HydrophobicContact CD1-CG1 4Å; L175-V210 HydrophobicContact CD1-CG2 4.11Å; L178-V210 HydrophobicContact CD2-CG2 4.15Å; L179-V210 HydrophobicContact CD2-CG2 4.17Å; M206-V210 WeakPolarHBondContact O-CG2 3.38Å; M206-V210 PolarHBondContact O-N 3.44Å; M206-V210 VanDerWaalsContact O-N 3.11Å; L207-V210 PolarHBondContact O-N 3.11Å; V210-N212 VanDerWaalsContact C-N 3.32Å; V210-N212 PolarHBondContact O-N 2.97Å; V210-L213 WeakPolarHBondContact O-CB 3.34Å; V210-L213 PolarHBondContact O-N 3.37Å; V210-L214 HydrophobicContact CG1-CD1 3.76Å; V210-L214 HydrophobicContact CG1-CG 4.25Å; V210-L214 WeakPolarHBondContact O-CG 3.14Å; V210-L214 PolarHBondContact O-N 3.42Å
211	Y	98.9	Very high	98.6	Very high	70 Å²	70	50.3 Å²	50.3	28%	0.275	28%	0.283	S	S	.	.	H	α-helix	trans	-57.5	-46.1	178.5	-174.3	-88	0	0	0	111.2	F100 Y104 L207 Q208 L213 L214 A215	F100-Y211 HydrophobicContact CE1-CD2 4.24Å; F100-Y211 AromaticContact CE1-CE2 3.94Å; F100-Y211 HydrophobicContact CE1-CE2 3.94Å; F100-Y211 AromaticContact CZ-CD2 3.93Å; F100-Y211 HydrophobicContact CZ-CD2 3.93Å; F100-Y211 AromaticContact CZ-CE2 3.66Å; F100-Y211 HydrophobicContact CZ-CE2 3.66Å; Y104-Y211 HydrophobicContact CD2-CD2 4.28Å; Y104-Y211 HydrophobicContact CE2-CD2 4.08Å; Y104-Y211 HydrophobicContact CE2-CG 4.48Å; L207-Y211 WeakPolarHBondContact O-CB 3.42Å; L207-Y211 PolarHBondContact O-N 3.49Å; Q208-Y211 PolarHBondContact O-N 2.84Å; Y211-L213 PolarHBondContact O-N 2.97Å; Y211-L214 PolarHBondContact O-N 3.16Å; Y211-A215 HydrophobicContact CD1-CB 4.46Å; Y211-A215 HydrophobicContact CE1-CB 4.21Å; Y211-A215 WeakPolarHBondContact O-CB 3.43Å; Y211-A215 PolarHBondContact O-N 3.31Å
212	N	98.8	Very high	98.7	Very high	76 Å²	76	49 Å²	49	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-59.5	-46.8	177.5	-69.7	-14.6	0	0	0	111.3	Q208 E209 V210 L214 A215 I216	Q208-N212 PolarHBondContact NE2-OD1 2.8Å; Q208-N212 WeakPolarHBondContact O-CB 3.19Å; Q208-N212 PolarHBondContact O-N 2.95Å; Q208-N212 PolarHBondContact O-ND2 3.17Å; Q208-N212 PolarHBondContact O-OD1 3.42Å; E209-N212 PolarHBondContact O-N 2.98Å; V210-N212 VanDerWaalsContact C-N 3.32Å; V210-N212 PolarHBondContact O-N 2.97Å; N212-L214 VanDerWaalsContact C-N 3.35Å; N212-L214 PolarHBondContact O-N 3.32Å; N212-A215 PolarHBondContact O-N 2.98Å; N212-I216 WeakPolarHBondContact O-CB 3.34Å; N212-I216 WeakPolarHBondContact O-CD1 3.18Å; N212-I216 WeakPolarHBondContact O-CG1 3.15Å; N212-I216 PolarHBondContact O-N 3.23Å
213	L	98.8	Very high	98.7	Very high	35 Å²	35	51 Å²	51	18%	0.183	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-45.5	177.9	-173.6	159.8	0	0	0	111.3	L171 L175 L178 E209 V210 Y211 S217	L171-L213 HydrophobicContact CD1-CD2 3.37Å; L175-L213 HydrophobicContact CB-CD2 4.32Å; L178-L213 HydrophobicContact CD2-CD1 4.03Å; E209-L213 WeakPolarHBondContact O-CB 3.31Å; E209-L213 PolarHBondContact O-N 2.92Å; V210-L213 WeakPolarHBondContact O-CB 3.34Å; V210-L213 PolarHBondContact O-N 3.37Å; Y211-L213 PolarHBondContact O-N 2.97Å; L213-S217 VanDerWaalsContact O-CB 3.27Å; L213-S217 WeakPolarHBondContact O-CB 3.3Å; L213-S217 PolarHBondContact O-N 3.27Å; L213-S217 VanDerWaalsContact O-N 3.12Å; L213-S217 PolarHBondContact O-OG 3.23Å
214	L	98.9	Very high	98.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.6	-46.9	179.3	-66.5	173.9	0	0	0	112.2	F100 K103 Y104 L171 L175 V210 Y211 N212 I216 S217 L218	F100-L214 HydrophobicContact CD2-CB 4.07Å; F100-L214 HydrophobicContact CE2-CB 3.64Å; F100-L214 HydrophobicContact CZ-CB 4.05Å; K103-L214 HydrophobicContact CB-CD1 3.94Å; K103-L214 HydrophobicContact CB-CD2 3.61Å; K103-L214 HydrophobicContact CB-CG 4.46Å; K103-L214 HydrophobicContact CD-CD2 4.13Å; K103-L214 HydrophobicContact CG-CD2 4.29Å; Y104-L214 HydrophobicContact CD2-CD1 4.22Å; Y104-L214 HydrophobicContact CG-CD1 4.47Å; L171-L214 HydrophobicContact CD1-CD2 4Å; L175-L214 HydrophobicContact CD2-CD2 4.31Å; V210-L214 HydrophobicContact CG1-CD1 3.76Å; V210-L214 HydrophobicContact CG1-CG 4.25Å; V210-L214 WeakPolarHBondContact O-CG 3.14Å; V210-L214 PolarHBondContact O-N 3.42Å; Y211-L214 PolarHBondContact O-N 3.16Å; N212-L214 VanDerWaalsContact C-N 3.35Å; N212-L214 PolarHBondContact O-N 3.32Å; L214-I216 VanDerWaalsContact C-N 3.34Å; L214-I216 PolarHBondContact O-N 3.29Å; L214-S217 PolarHBondContact O-N 3.09Å; L214-L218 HydrophobicContact CD2-CD1 4.15Å; L214-L218 WeakPolarHBondContact O-CB 3.39Å; L214-L218 PolarHBondContact O-N 2.78Å
215	A	98.8	Very high	98.7	Very high	18 Å²	18	49.5 Å²	49.5	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-39.7	-179.9	0	0	0	0	0	112.2	F100 Y211 N212 S217 G219	F100-A215 HydrophobicContact CE2-CB 4.24Å; Y211-A215 HydrophobicContact CD1-CB 4.46Å; Y211-A215 HydrophobicContact CE1-CB 4.21Å; Y211-A215 WeakPolarHBondContact O-CB 3.43Å; Y211-A215 PolarHBondContact O-N 3.31Å; N212-A215 PolarHBondContact O-N 2.98Å; A215-S217 VanDerWaalsContact C-N 3.28Å; A215-S217 PolarHBondContact O-N 3.07Å; A215-G219 CarbonylContact O-C 3.48Å; A215-G219 VanDerWaalsContact O-CA 3.28Å; A215-G219 WeakPolarHBondContact O-CA 3.27Å; A215-G219 PolarHBondContact O-N 2.94Å
216	I	98.7	Very high	98.7	Very high	146 Å²	146	50 Å²	50	75%	0.749	28%	0.279	S	S	*	.	H	α-helix	trans	-63.3	-36.4	173	-69.2	166.6	0	0	0	111.1	N212 L214	N212-I216 WeakPolarHBondContact O-CB 3.34Å; N212-I216 WeakPolarHBondContact O-CD1 3.18Å; N212-I216 WeakPolarHBondContact O-CG1 3.15Å; N212-I216 PolarHBondContact O-N 3.23Å; L214-I216 VanDerWaalsContact C-N 3.34Å; L214-I216 PolarHBondContact O-N 3.29Å
217	S	98.8	Very high	98.6	Very high	23 Å²	23	49.9 Å²	49.9	16%	0.161	28%	0.278	C	S	.	.	H	α-helix	trans	-86.1	-35.1	-172.7	-59.9	0	0	0	0	114	S162 N164 L213 L214 A215	S162-S217 PolarHBondContact OG-O 3.22Å; N164-S217 PolarHBondContact ND2-O 3.45Å; L213-S217 VanDerWaalsContact O-CB 3.27Å; L213-S217 WeakPolarHBondContact O-CB 3.3Å; L213-S217 PolarHBondContact O-N 3.27Å; L213-S217 VanDerWaalsContact O-N 3.12Å; L213-S217 PolarHBondContact O-OG 3.23Å; L214-S217 PolarHBondContact O-N 3.09Å; A215-S217 VanDerWaalsContact C-N 3.28Å; A215-S217 PolarHBondContact O-N 3.07Å
218	L	98.9	Very high	98.5	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-118.9	-12.6	-167	-59.9	179.5	0	0	0	113.6	N96 F99 F100 N164 L171 L214	N96-L218 PolarHBondContact ND2-O 3.26Å; F99-L218 HydrophobicContact CD1-CD1 3.99Å; F99-L218 HydrophobicContact CD1-CD2 4.01Å; F99-L218 HydrophobicContact CE1-CD1 4.45Å; F99-L218 HydrophobicContact CE1-CD2 4.11Å; F100-L218 HydrophobicContact CB-CD1 4.18Å; F100-L218 HydrophobicContact CD2-CB 4.12Å; F100-L218 HydrophobicContact CD2-CD1 4.18Å; N164-L218 HydrophobicContact CB-CD2 4.09Å; L171-L218 HydrophobicContact CD2-CD1 4.11Å; L171-L218 HydrophobicContact CD2-CD2 3.81Å; L171-L218 HydrophobicContact CD2-CG 4.09Å; L214-L218 HydrophobicContact CD2-CD1 4.15Å; L214-L218 WeakPolarHBondContact O-CB 3.39Å; L214-L218 PolarHBondContact O-N 2.78Å
219	G	98.6	Very high	98.3	Very high	34 Å²	34	51 Å²	51	35%	0.351	28%	0.282	S	S	.	.			trans	90.9	160.4	-169.5	0	0	0	0	0	112.3	A215	A215-G219 CarbonylContact O-C 3.48Å; A215-G219 VanDerWaalsContact O-CA 3.28Å; A215-G219 WeakPolarHBondContact O-CA 3.27Å; A215-G219 PolarHBondContact O-N 2.94Å
220	T	98.6	Very high	98.1	Very high	101 Å²	101	54.2 Å²	54.2	62%	0.62	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-78.2	126.1	178.3	-51.8	0	0	0	0	110.1
221	P	98.7	Very high	97.8	Very high	9 Å²	9	55 Å²	55	6%	0.058	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-59	133.3	175.6	-24.7	33.8	0	0	0	111.8	Y97 F100 W101 M159	Y97-P221 HydrophobicContact CD2-CB 4.33Å; Y97-P221 HydrophobicContact CE2-CB 3.96Å; F100-P221 HydrophobicContact CB-CG 4.3Å; F100-P221 HydrophobicContact CD1-CG 3.28Å; F100-P221 HydrophobicContact CD2-CG 3.75Å; F100-P221 HydrophobicContact CE1-CG 3.39Å; F100-P221 HydrophobicContact CE2-CG 3.82Å; F100-P221 HydrophobicContact CG-CG 3.5Å; F100-P221 VanDerWaalsContact CG-CG 3.5Å; F100-P221 HydrophobicContact CZ-CG 3.67Å; W101-P221 HydrophobicContact CH2-CG 4.38Å; W101-P221 HydrophobicContact CZ2-CB 3.67Å; W101-P221 HydrophobicContact CZ2-CG 3.83Å; M159-P221 HydrophobicContact CE-CG 4.37Å; M159-P221 HydrophobicContact SD-CB 4.43Å
222	P	98.4	Very high	97.4	Very high	28 Å²	28	57.9 Å²	57.9	18%	0.182	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.3	144.9	177.4	26	-29.3	0	0	0	111.1	Y97 V154 V158 M159 P244	Y97-P222 HydrophobicContact CD2-CG 4.43Å; Y97-P222 HydrophobicContact CE2-CG 4.4Å; V154-P222 HydrophobicContact CG1-CG 4.38Å; V158-P222 HydrophobicContact CG1-CB 4Å; V158-P222 HydrophobicContact CG1-CG 3.52Å; M159-P222 HydrophobicContact CB-CG 4.34Å; P222-P244 WeakPolarHBondContact O-CG 3.25Å
223	T	98.4	Very high	97.2	Very high	110 Å²	110	60.5 Å²	60.5	68%	0.675	32%	0.32	S	S	*	.	S	Bend	trans	-106	-30.9	176.6	54.4	0	0	0	0	112.6	P244	T223-P244 WeakPolarHBondContact O-CD 3.26Å
224	V	98.5	Very high	96.9	Very high	89 Å²	89	66.4 Å²	66.4	54%	0.539	34%	0.344	S	S	.	.	S	Bend	trans	-141	138.8	175.8	-176.7	0	0	0	0	109	L242	V224-L242 CarbonylContact C-O 3.52Å; V224-L242 VanDerWaalsContact CA-O 3.23Å; V224-L242 WeakPolarHBondContact CA-O 3.32Å
225	F	98.7	Very high	96.8	Very high	17 Å²	17	70 Å²	70	8%	0.075	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.6	177.8	58.6	-88.1	0	0	0	111.7	V154 P155 V158 G241 L242 P244 F247	V154-F225 HydrophobicContact CB-CE1 4.12Å; V154-F225 HydrophobicContact CB-CZ 4.1Å; V154-F225 HydrophobicContact CG1-CD1 4.26Å; V154-F225 HydrophobicContact CG1-CE1 3.46Å; V154-F225 VanDerWaalsContact CG1-CE1 3.46Å; V154-F225 HydrophobicContact CG1-CZ 3.84Å; P155-F225 HydrophobicContact CG-CE2 4.28Å; V158-F225 HydrophobicContact CB-CD2 4.45Å; V158-F225 HydrophobicContact CB-CG 4.41Å; V158-F225 HydrophobicContact CG1-CB 3.78Å; V158-F225 HydrophobicContact CG1-CD1 3.77Å; V158-F225 HydrophobicContact CG1-CD2 4.09Å; V158-F225 HydrophobicContact CG1-CE1 4.35Å; V158-F225 HydrophobicContact CG1-CG 3.61Å; V158-F225 HydrophobicContact CG2-CB 4.1Å; V158-F225 HydrophobicContact CG2-CD2 3.63Å; V158-F225 HydrophobicContact CG2-CE2 4.23Å; V158-F225 HydrophobicContact CG2-CG 3.94Å; F225-G241 PolarHBondContact O-N 3.4Å; F225-L242 HydrophobicContact CD2-CB 4.36Å; F225-L242 HydrophobicContact CE2-CB 4.05Å; F225-L242 HydrophobicContact CE2-CD1 4.28Å; F225-L242 HydrophobicContact CZ-CB 4.2Å; F225-L242 PolarHBondContact N-O 2.97Å; F225-L242 PolarHBondContact O-N 3.09Å; F225-P244 HydrophobicContact CE1-CG 4.13Å; F225-F247 HydrophobicContact CE2-CB 4.35Å; F225-F247 AromaticContact CE2-CD2 3.9Å; F225-F247 HydrophobicContact CE2-CD2 3.9Å; F225-F247 HydrophobicContact CE2-CG 4.29Å; F225-F247 HydrophobicContact CZ-CB 3.71Å; F225-F247 HydrophobicContact CZ-CD2 4.05Å; F225-F247 AromaticContact CZ-CG 3.96Å; F225-F247 HydrophobicContact CZ-CG 3.96Å
226	D	98.3	Very high	96.7	Very high	67 Å²	67	74.6 Å²	74.6	36%	0.358	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.8	169	-67.4	-2.5	0	0	0	108.7	L238 D239 Q240 G241	D226-L238 HydrophobicContact CB-CD1 4.18Å; D226-D239 CarbonylContact C-O 3.58Å; D226-D239 WeakPolarHBondContact CA-O 3.31Å; D226-Q240 HydrophobicContact CB-CG 4.47Å; D226-Q240 VanDerWaalsContact OD1-CA 3.25Å; D226-Q240 WeakPolarHBondContact OD1-CA 3.24Å; D226-Q240 WeakPolarHBondContact OD1-CB 3.35Å; D226-Q240 PolarHBondContact OD2-NE2 3.36Å; D226-G241 PolarHBondContact OD1-N 3.49Å
227	F	97.3	Very high	96.6	Very high	5 Å²	5	70.7 Å²	70.7	2%	0.022	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.3	175.2	-179.2	-138.6	0	0	0	110.6	L88 F91 P155 Y229 L238 D239 L242 F247 Y251	L88-F227 HydrophobicContact CD2-CZ 4.48Å; F91-F227 HydrophobicContact CD2-CE2 4.35Å; F91-F227 HydrophobicContact CD2-CZ 4.18Å; F91-F227 AromaticContact CE2-CE2 3.81Å; F91-F227 HydrophobicContact CE2-CE2 3.81Å; F91-F227 AromaticContact CE2-CZ 3.69Å; F91-F227 HydrophobicContact CE2-CZ 3.69Å; P155-F227 HydrophobicContact CB-CD2 4.3Å; P155-F227 HydrophobicContact CB-CE2 4.27Å; P155-F227 HydrophobicContact CG-CD2 3.62Å; P155-F227 HydrophobicContact CG-CE2 3.86Å; P155-F227 HydrophobicContact CG-CG 4.2Å; F227-Y229 AromaticContact CD1-CD1 3.85Å; F227-Y229 HydrophobicContact CD1-CD1 3.85Å; F227-Y229 AromaticContact CD1-CE1 3.94Å; F227-Y229 HydrophobicContact CD1-CE1 3.94Å; F227-Y229 HydrophobicContact CD2-CD1 4.43Å; F227-Y229 AromaticContact CE1-CD1 3.38Å; F227-Y229 HydrophobicContact CE1-CD1 3.38Å; F227-Y229 AromaticContact CE1-CE1 3.48Å; F227-Y229 HydrophobicContact CE1-CE1 3.48Å; F227-Y229 VanDerWaalsContact CE1-CE1 3.48Å; F227-Y229 HydrophobicContact CE1-CG 4.36Å; F227-Y229 HydrophobicContact CE2-CD1 4.01Å; F227-Y229 HydrophobicContact CG-CD1 4.36Å; F227-Y229 AromaticContact CZ-CD1 3.47Å; F227-Y229 HydrophobicContact CZ-CD1 3.47Å; F227-Y229 VanDerWaalsContact CZ-CD1 3.47Å; F227-Y229 HydrophobicContact CZ-CE1 4.01Å; F227-Y229 HydrophobicContact CZ-CG 4.06Å; F227-L238 WeakPolarHBondContact O-CA 3.28Å; F227-D239 PolarHBondContact N-O 3.04Å; F227-D239 PolarHBondContact O-N 2.98Å; F227-L242 HydrophobicContact CB-CD1 3.89Å; F227-F247 HydrophobicContact CD1-CD2 4.45Å; F227-F247 AromaticContact CD1-CE2 3.7Å; F227-F247 HydrophobicContact CD1-CE2 3.7Å; F227-F247 AromaticContact CE1-CE2 3.95Å; F227-F247 HydrophobicContact CE1-CE2 3.95Å; F227-F247 HydrophobicContact CG-CE2 4.02Å; F227-F247 HydrophobicContact CZ-CE2 4.49Å; F227-Y251 AromaticContact CD1-CE1 3.98Å; F227-Y251 HydrophobicContact CD1-CE1 3.98Å; F227-Y251 HydrophobicContact CD1-CE2 4.17Å; F227-Y251 AromaticContact CD1-CZ 3.69Å; F227-Y251 HydrophobicContact CE1-CD1 4.31Å; F227-Y251 AromaticContact CE1-CE1 3.83Å; F227-Y251 HydrophobicContact CE1-CE1 3.83Å
228	E	95.3	Very high	96.5	Very high	115 Å²	115	73 Å²	73	54%	0.537	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.8	179.3	-70	-176.6	78.6	0	0	110.9	Y236 H237 L238	E228-Y236 HydrophobicContact CB-CE2 4.46Å; E228-Y236 HydrophobicContact CG-CE2 4.48Å; E228-Y236 PolarHBondContact OE1-OH 3.34Å; E228-H237 WeakPolarHBondContact CA-O 3.23Å; E228-L238 HydrophobicContact CG-CB 4.47Å; E228-L238 HydrophobicContact CG-CD1 3.23Å; E228-L238 HydrophobicContact CG-CG 4.4Å
229	Y	94.4	Very high	96.4	Very high	36 Å²	36	74.2 Å²	74.2	14%	0.141	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	167.8	175.2	68.6	-86	0	0	0	112.5	L88 F227 H237	L88-Y229 HydrophobicContact CD2-CD1 4.2Å; L88-Y229 HydrophobicContact CD2-CD2 3.12Å; L88-Y229 HydrophobicContact CD2-CE1 4.3Å; L88-Y229 HydrophobicContact CD2-CE2 3.24Å; L88-Y229 HydrophobicContact CD2-CG 3.64Å; F227-Y229 AromaticContact CD1-CD1 3.85Å; F227-Y229 HydrophobicContact CD1-CD1 3.85Å; F227-Y229 AromaticContact CD1-CE1 3.94Å; F227-Y229 HydrophobicContact CD1-CE1 3.94Å; F227-Y229 HydrophobicContact CD2-CD1 4.43Å; F227-Y229 AromaticContact CE1-CD1 3.38Å; F227-Y229 HydrophobicContact CE1-CD1 3.38Å; F227-Y229 AromaticContact CE1-CE1 3.48Å; F227-Y229 HydrophobicContact CE1-CE1 3.48Å; F227-Y229 VanDerWaalsContact CE1-CE1 3.48Å; F227-Y229 HydrophobicContact CE1-CG 4.36Å; F227-Y229 HydrophobicContact CE2-CD1 4.01Å; F227-Y229 HydrophobicContact CG-CD1 4.36Å; F227-Y229 AromaticContact CZ-CD1 3.47Å; F227-Y229 HydrophobicContact CZ-CD1 3.47Å; F227-Y229 VanDerWaalsContact CZ-CD1 3.47Å; F227-Y229 HydrophobicContact CZ-CE1 4.01Å; F227-Y229 HydrophobicContact CZ-CG 4.06Å; Y229-H237 HydrophobicContact CD1-CB 3.92Å; Y229-H237 HydrophobicContact CD2-CB 4.25Å; Y229-H237 HydrophobicContact CE1-CB 3.53Å; Y229-H237 HydrophobicContact CE2-CB 3.9Å; Y229-H237 AromaticContact CE2-CD2 3.47Å; Y229-H237 VanDerWaalsContact CE2-CD2 3.47Å; Y229-H237 WeakPolarHBondContact CE2-CD2 3.44Å; Y229-H237 AromaticContact CE2-CG 3.78Å; Y229-H237 HydrophobicContact CG-CB 4.27Å; Y229-H237 AromaticContact CZ-CD2 3.86Å; Y229-H237 AromaticContact CZ-CG 3.66Å; Y229-H237 PolarHBondContact N-O 3.17Å; Y229-H237 VanDerWaalsContact N-O 3.07Å; Y229-H237 PolarHBondContact O-N 3.18Å
230	R	94.4	Very high	96.4	Very high	153 Å²	153	78.6 Å²	78.6	58%	0.577	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.4	164	-69.7	-176.1	178.9	-85.6	-5.9	109.5	K234 N235	R230-K234 PolarHBondContact NH1-O 3.03Å; R230-N235 WeakPolarHBondContact CA-O 3.49Å
231	D	94.2	Very high	96.4	Very high	17 Å²	17	76 Å²	76	9%	0.091	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-75.3	176.8	174.8	60.9	22.4	0	0	0	111.6	Q87 E233 K234 N235 H237	Q87-D231 HydrophobicContact CB-CB 4.1Å; Q87-D231 CarbonylContact O-C 3.47Å; Q87-D231 VanDerWaalsContact O-CA 3.23Å; Q87-D231 WeakPolarHBondContact O-CA 3.32Å; D231-E233 PolarHBondContact O-N 3.29Å; D231-E233 VanDerWaalsContact OD1-C 3.32Å; D231-E233 WeakPolarHBondContact OD1-CA 3.49Å; D231-E233 WeakPolarHBondContact OD1-CB 3.19Å; D231-E233 PolarHBondContact OD1-N 3.45Å; D231-E233 VanDerWaalsContact OD1-N 3.12Å; D231-K234 WeakPolarHBondContact O-CA 3.26Å; D231-K234 PolarHBondContact O-N 2.84Å; D231-K234 PolarHBondContact OD1-N 3.46Å; D231-N235 PolarHBondContact N-O 3.36Å; D231-N235 PolarHBondContact OD1-N 2.69Å; D231-N235 PolarHBondContact OD1-ND2 3.49Å; D231-N235 WeakPolarHBondContact OD2-CB 3.2Å; D231-N235 PolarHBondContact OD2-ND2 3.29Å; D231-N235 VanDerWaalsContact OD2-ND2 3.07Å; D231-H237 IonicContact OD2-CD2 3.69Å; D231-H237 IonicContact OD2-CE1 3.84Å; D231-H237 IonicContact OD2-NE2 2.72Å; D231-H237 PolarHBondContact OD2-NE2 2.94Å
232	E	90.3	Very high	96.4	Very high	131 Å²	131	76 Å²	76	61%	0.612	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.6	177	-66.4	-164	145.8	0	0	113.5	Q87 K234	Q87-E232 HydrophobicContact CB-CB 4.4Å; Q87-E232 HydrophobicContact CB-CG 4.37Å; Q87-E232 WeakPolarHBondContact O-CG 3.15Å; Q87-E232 PolarHBondContact O-N 3.14Å; E232-K234 PolarHBondContact O-N 3.45Å
233	E	93.9	Very high	96.4	Very high	130 Å²	130	77.1 Å²	77.1	61%	0.607	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.9	173.6	-65.8	-176.6	176.6	0	0	113.5	D231 N235	D231-E233 PolarHBondContact O-N 3.29Å; D231-E233 VanDerWaalsContact OD1-C 3.32Å; D231-E233 WeakPolarHBondContact OD1-CA 3.49Å; D231-E233 WeakPolarHBondContact OD1-CB 3.19Å; D231-E233 PolarHBondContact OD1-N 3.45Å; D231-E233 VanDerWaalsContact OD1-N 3.12Å; E233-N235 VanDerWaalsContact C-N 3.3Å; E233-N235 WeakPolarHBondContact CB-ND2 3.18Å; E233-N235 PolarHBondContact OE2-ND2 3.04Å
234	K	93.6	Very high	96.4	Very high	159 Å²	159	72.2 Å²	72.2	69%	0.691	35%	0.354	S	S	*	.			trans	72.1	12.9	-178.8	-47.7	173.3	-177.1	172.8	0	114.5	R230 D231 E232	R230-K234 PolarHBondContact NH1-O 3.03Å; D231-K234 WeakPolarHBondContact O-CA 3.26Å; D231-K234 PolarHBondContact O-N 2.84Å; D231-K234 PolarHBondContact OD1-N 3.46Å; E232-K234 PolarHBondContact O-N 3.45Å
235	N	96.1	Very high	96.4	Very high	76 Å²	76	72.7 Å²	72.7	41%	0.406	35%	0.35	S	S	.	.			trans	-68.6	144.3	172.3	-51.3	-58.8	0	0	0	109.6	R230 D231 E233	R230-N235 WeakPolarHBondContact CA-O 3.49Å; D231-N235 PolarHBondContact N-O 3.36Å; D231-N235 PolarHBondContact OD1-N 2.69Å; D231-N235 PolarHBondContact OD1-ND2 3.49Å; D231-N235 WeakPolarHBondContact OD2-CB 3.2Å; D231-N235 PolarHBondContact OD2-ND2 3.29Å; D231-N235 VanDerWaalsContact OD2-ND2 3.07Å; E233-N235 VanDerWaalsContact C-N 3.3Å; E233-N235 WeakPolarHBondContact CB-ND2 3.18Å; E233-N235 PolarHBondContact OE2-ND2 3.04Å
236	Y	96.3	Very high	96.3	Very high	114 Å²	114	74 Å²	74	45%	0.447	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.4	177.9	171.1	-96.9	0	0	0	110.3	E228 L238	E228-Y236 HydrophobicContact CB-CE2 4.46Å; E228-Y236 HydrophobicContact CG-CE2 4.48Å; E228-Y236 PolarHBondContact OE1-OH 3.34Å; Y236-L238 HydrophobicContact CE1-CB 3.74Å
237	H	96.8	Very high	96.3	Very high	65 Å²	65	70.8 Å²	70.8	30%	0.301	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140	177.1	-61.5	-88.2	0	0	0	109.6	E228 Y229 D231	E228-H237 WeakPolarHBondContact CA-O 3.23Å; Y229-H237 HydrophobicContact CD1-CB 3.92Å; Y229-H237 HydrophobicContact CD2-CB 4.25Å; Y229-H237 HydrophobicContact CE1-CB 3.53Å; Y229-H237 HydrophobicContact CE2-CB 3.9Å; Y229-H237 AromaticContact CE2-CD2 3.47Å; Y229-H237 VanDerWaalsContact CE2-CD2 3.47Å; Y229-H237 WeakPolarHBondContact CE2-CD2 3.44Å; Y229-H237 AromaticContact CE2-CG 3.78Å; Y229-H237 HydrophobicContact CG-CB 4.27Å; Y229-H237 AromaticContact CZ-CD2 3.86Å; Y229-H237 AromaticContact CZ-CG 3.66Å; Y229-H237 PolarHBondContact N-O 3.17Å; Y229-H237 VanDerWaalsContact N-O 3.07Å; Y229-H237 PolarHBondContact O-N 3.18Å; D231-H237 IonicContact OD2-CD2 3.69Å; D231-H237 IonicContact OD2-CE1 3.84Å; D231-H237 IonicContact OD2-NE2 2.72Å; D231-H237 PolarHBondContact OD2-NE2 2.94Å
238	L	96.8	Very high	96.3	Very high	70 Å²	70	71.5 Å²	71.5	37%	0.366	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	124.3	176.5	171.3	67.8	0	0	0	108.2	D226 F227 E228 Y236 Q240	D226-L238 HydrophobicContact CB-CD1 4.18Å; F227-L238 WeakPolarHBondContact O-CA 3.28Å; E228-L238 HydrophobicContact CG-CB 4.47Å; E228-L238 HydrophobicContact CG-CD1 3.23Å; E228-L238 HydrophobicContact CG-CG 4.4Å; Y236-L238 HydrophobicContact CE1-CB 3.74Å; L238-Q240 HydrophobicContact CD1-CG 3.69Å; L238-Q240 HydrophobicContact CD2-CG 3.84Å; L238-Q240 HydrophobicContact CG-CG 3.6Å
239	D	97.3	Very high	96.3	Very high	32 Å²	32	70.9 Å²	70.9	17%	0.171	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.2	172.5	-166.6	18.2	0	0	0	109.2	D226 F227 L242 K250 Y251	D226-D239 CarbonylContact C-O 3.58Å; D226-D239 WeakPolarHBondContact CA-O 3.31Å; F227-D239 PolarHBondContact N-O 3.04Å; F227-D239 PolarHBondContact O-N 2.98Å; D239-L242 HydrophobicContact CB-CD1 4.01Å; D239-L242 WeakPolarHBondContact OD2-CD2 3.48Å; D239-K250 VanDerWaalsContact CG-NZ 3.25Å; D239-K250 IonicContact OD1-NZ 3.23Å; D239-K250 PolarHBondContact OD1-NZ 2.96Å; D239-K250 WeakPolarHBondContact OD2-CD 3.38Å; D239-K250 WeakPolarHBondContact OD2-CE 3.08Å; D239-K250 IonicContact OD2-NZ 3.67Å; D239-K250 PolarHBondContact OD2-NZ 3.28Å; D239-Y251 WeakPolarHBondContact CB-OH 3.26Å; D239-Y251 PolarHBondContact OD2-OH 2.93Å
240	Q	98.2	Very high	96.4	Very high	126 Å²	126	74.4 Å²	74.4	59%	0.589	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	150.8	-165.5	-60	-165.1	-96.9	0	0	112.9	D226 L238 L242	D226-Q240 HydrophobicContact CB-CG 4.47Å; D226-Q240 VanDerWaalsContact OD1-CA 3.25Å; D226-Q240 WeakPolarHBondContact OD1-CA 3.24Å; D226-Q240 WeakPolarHBondContact OD1-CB 3.35Å; D226-Q240 PolarHBondContact OD2-NE2 3.36Å; L238-Q240 HydrophobicContact CD1-CG 3.69Å; L238-Q240 HydrophobicContact CD2-CG 3.84Å; L238-Q240 HydrophobicContact CG-CG 3.6Å; Q240-L242 VanDerWaalsContact C-N 3.3Å; Q240-L242 PolarHBondContact O-N 3.34Å
241	G	98.1	Very high	96.4	Very high	46 Å²	46	67.8 Å²	67.8	47%	0.474	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.3	30	172.4	0	0	0	0	0	113.6	F225 D226	F225-G241 PolarHBondContact O-N 3.4Å; D226-G241 PolarHBondContact OD1-N 3.49Å
242	L	98.5	Very high	96.4	Very high	10 Å²	10	67 Å²	67	5%	0.052	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.2	176.1	-66.8	172.7	0	0	0	110.6	V224 F225 F227 D239 Q240 F247 Y251	V224-L242 CarbonylContact C-O 3.52Å; V224-L242 VanDerWaalsContact CA-O 3.23Å; V224-L242 WeakPolarHBondContact CA-O 3.32Å; F225-L242 HydrophobicContact CD2-CB 4.36Å; F225-L242 HydrophobicContact CE2-CB 4.05Å; F225-L242 HydrophobicContact CE2-CD1 4.28Å; F225-L242 HydrophobicContact CZ-CB 4.2Å; F225-L242 PolarHBondContact N-O 2.97Å; F225-L242 PolarHBondContact O-N 3.09Å; F227-L242 HydrophobicContact CB-CD1 3.89Å; D239-L242 HydrophobicContact CB-CD1 4.01Å; D239-L242 WeakPolarHBondContact OD2-CD2 3.48Å; Q240-L242 VanDerWaalsContact C-N 3.3Å; Q240-L242 PolarHBondContact O-N 3.34Å; L242-F247 HydrophobicContact CD1-CD2 3.94Å; L242-Y251 HydrophobicContact CD1-CE2 3.97Å
243	T	98.7	Very high	96.4	Very high	51 Å²	51	66.4 Å²	66.4	31%	0.313	34%	0.335	S	S	.	.			trans	-94.6	162.5	161.2	72.1	0	0	0	0	109.5	Q245 S246 F247	T243-Q245 PolarHBondContact O-N 2.78Å; T243-S246 PolarHBondContact N-OG 3.5Å; T243-S246 PolarHBondContact O-N 2.73Å; T243-S246 PolarHBondContact O-OG 3.37Å; T243-S246 PolarHBondContact OG1-N 2.86Å; T243-S246 PolarHBondContact OG1-OG 3.42Å; T243-F247 WeakPolarHBondContact O-CB 3.25Å; T243-F247 PolarHBondContact O-N 3.27Å
244	P	98.6	Very high	96.2	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.052	31%	0.312	C	S	.	.	H	α-helix	trans	-53.7	-37.3	172.3	-30	37.4	0	0	0	114	Y97 Y151 V153 V154 P222 T223 F225 Y248	Y97-P244 HydrophobicContact CE1-CB 4.22Å; Y97-P244 HydrophobicContact CE2-CB 4.44Å; Y97-P244 HydrophobicContact CE2-CG 4.06Å; Y97-P244 VanDerWaalsContact OH-CB 3.28Å; Y97-P244 WeakPolarHBondContact OH-CB 3.21Å; Y97-P244 VanDerWaalsContact OH-CG 3.26Å; Y97-P244 WeakPolarHBondContact OH-CG 3.42Å; Y151-P244 WeakPolarHBondContact O-CB 3.39Å; V153-P244 PolarHBondContact N-O 3.48Å; V153-P244 WeakPolarHBondContact O-CA 3.46Å; V153-P244 VanDerWaalsContact O-O 3.13Å; V154-P244 HydrophobicContact CG1-CB 3.76Å; V154-P244 HydrophobicContact CG1-CG 3.66Å; P222-P244 WeakPolarHBondContact O-CG 3.25Å; T223-P244 WeakPolarHBondContact O-CD 3.26Å; F225-P244 HydrophobicContact CE1-CG 4.13Å; P244-Y248 WeakPolarHBondContact O-CB 3.25Å; P244-Y248 PolarHBondContact O-N 3.09Å
245	Q	97.9	Very high	96.2	Very high	99 Å²	99	58 Å²	58	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-69.8	-48.7	175.4	-73.5	-176.5	-24.2	0	0	111.7	K150 T243 F247 Y248 D249	K150-Q245 PolarHBondContact O-NE2 3.46Å; K150-Q245 VanDerWaalsContact O-NE2 3.09Å; T243-Q245 PolarHBondContact O-N 2.78Å; Q245-F247 PolarHBondContact O-N 3.24Å; Q245-Y248 WeakPolarHBondContact O-CB 3.14Å; Q245-Y248 PolarHBondContact O-N 2.65Å; Q245-D249 PolarHBondContact O-N 3.28Å
246	S	98	Very high	96.1	Very high	43 Å²	43	54.5 Å²	54.5	30%	0.301	28%	0.284	S	S	.	.	H	α-helix	trans	-65.5	-29.8	180	71.9	0	0	0	0	112.3	T243 K250	T243-S246 PolarHBondContact N-OG 3.5Å; T243-S246 PolarHBondContact O-N 2.73Å; T243-S246 PolarHBondContact O-OG 3.37Å; T243-S246 PolarHBondContact OG1-N 2.86Å; T243-S246 PolarHBondContact OG1-OG 3.42Å; S246-K250 WeakPolarHBondContact O-CB 3.34Å; S246-K250 PolarHBondContact O-N 3.43Å; S246-K250 VanDerWaalsContact O-N 3.11Å
247	F	98	Very high	95.9	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-45.8	171.7	-179.5	-81.7	0	0	0	111.1	F91 L93 V153 P155 F225 F227 L242 T243 Q245 K250 Y251	F91-F247 HydrophobicContact CZ-CZ 4.05Å; L93-F247 HydrophobicContact CD2-CE1 3.68Å; L93-F247 HydrophobicContact CD2-CZ 4.22Å; V153-F247 HydrophobicContact CG2-CD1 3.74Å; V153-F247 HydrophobicContact CG2-CE1 3.92Å; V153-F247 WeakPolarHBondContact O-CD1 3.41Å; P155-F247 HydrophobicContact CG-CD2 4.27Å; P155-F247 HydrophobicContact CG-CE2 3.62Å; P155-F247 HydrophobicContact CG-CZ 3.8Å; F225-F247 HydrophobicContact CE2-CB 4.35Å; F225-F247 AromaticContact CE2-CD2 3.9Å; F225-F247 HydrophobicContact CE2-CD2 3.9Å; F225-F247 HydrophobicContact CE2-CG 4.29Å; F225-F247 HydrophobicContact CZ-CB 3.71Å; F225-F247 HydrophobicContact CZ-CD2 4.05Å; F225-F247 AromaticContact CZ-CG 3.96Å; F225-F247 HydrophobicContact CZ-CG 3.96Å; F227-F247 HydrophobicContact CD1-CD2 4.45Å; F227-F247 AromaticContact CD1-CE2 3.7Å; F227-F247 HydrophobicContact CD1-CE2 3.7Å; F227-F247 AromaticContact CE1-CE2 3.95Å; F227-F247 HydrophobicContact CE1-CE2 3.95Å; F227-F247 HydrophobicContact CG-CE2 4.02Å; F227-F247 HydrophobicContact CZ-CE2 4.49Å; L242-F247 HydrophobicContact CD1-CD2 3.94Å; T243-F247 WeakPolarHBondContact O-CB 3.25Å; T243-F247 PolarHBondContact O-N 3.27Å; Q245-F247 PolarHBondContact O-N 3.24Å; F247-K250 PolarHBondContact O-N 3.18Å; F247-Y251 AromaticContact CD2-CD2 3.52Å; F247-Y251 HydrophobicContact CD2-CD2 3.52Å; F247-Y251 AromaticContact CD2-CE2 3.88Å; F247-Y251 HydrophobicContact CD2-CE2 3.88Å; F247-Y251 HydrophobicContact CD2-CG 4.25Å; F247-Y251 AromaticContact CE2-CD2 3.62Å; F247-Y251 HydrophobicContact CE2-CD2 3.62Å; F247-Y251 HydrophobicContact CE2-CE2 4.01Å; F247-Y251 AromaticContact CE2-CG 3.92Å; F247-Y251 HydrophobicContact CE2-CG 3.92Å; F247-Y251 HydrophobicContact CG-CD2 4.01Å; F247-Y251 HydrophobicContact CZ-CD2 4.18Å; F247-Y251 HydrophobicContact CZ-CG 4.08Å; F247-Y251 WeakPolarHBondContact O-CB 3.48Å; F247-Y251 PolarHBondContact O-N 3.45Å
248	Y	96.8	Very high	95.9	Very high	20 Å²	20	53.5 Å²	53.5	8%	0.078	29%	0.285	C	S	.	.	I	π-helix	trans	-56.8	-53	175.6	176.9	-100.6	0	0	0	111.4	F78 F148 V153 P244 Q245 K250 V252 D253 V254 L256	F78-Y248 HydrophobicContact CE2-CE2 4.2Å; F148-Y248 HydrophobicContact CB-CE2 4.05Å; V153-Y248 HydrophobicContact CG1-CD2 4.2Å; V153-Y248 HydrophobicContact CG2-CD2 4.05Å; P244-Y248 WeakPolarHBondContact O-CB 3.25Å; P244-Y248 PolarHBondContact O-N 3.09Å; Q245-Y248 WeakPolarHBondContact O-CB 3.14Å; Q245-Y248 PolarHBondContact O-N 2.65Å; Y248-K250 VanDerWaalsContact C-N 3.33Å; Y248-K250 PolarHBondContact O-N 2.84Å; Y248-V252 HydrophobicContact CD2-CB 3.86Å; Y248-V252 HydrophobicContact CD2-CG1 4.16Å; Y248-V252 HydrophobicContact CD2-CG2 3.91Å; Y248-V252 HydrophobicContact CE2-CB 4.01Å; Y248-V252 HydrophobicContact CE2-CG1 3.79Å; Y248-V252 HydrophobicContact CE2-CG2 4.37Å; Y248-V252 WeakPolarHBondContact O-CA 3.35Å; Y248-V252 VanDerWaalsContact O-CB 3.29Å; Y248-V252 WeakPolarHBondContact O-CB 3.28Å; Y248-V252 PolarHBondContact O-N 3.45Å; Y248-D253 PolarHBondContact O-N 2.81Å; Y248-D253 VanDerWaalsContact O-N 3.12Å; Y248-V254 PolarHBondContact OH-O 3.23Å; Y248-L256 HydrophobicContact CE2-CD1 4.46Å; Y248-L256 WeakPolarHBondContact OH-CD1 3.31Å; Y248-L256 VanDerWaalsContact OH-CG 3.31Å; Y248-L256 WeakPolarHBondContact OH-CG 3.33Å
249	D	95.6	Very high	96	Very high	102 Å²	102	51.4 Å²	51.4	55%	0.545	27%	0.273	S	S	.	.	I	π-helix	trans	-60.5	-41	-178.8	-62.6	-20.8	0	0	0	112.3	Q245	Q245-D249 PolarHBondContact O-N 3.28Å
250	K	95.5	Very high	96	Very high	110 Å²	110	49.9 Å²	49.9	48%	0.478	27%	0.265	S	S	.	.	I	π-helix	trans	-80.3	-42.6	-174.9	-179.1	174.2	179	177.7	0	113.8	D239 S246 F247 Y248	D239-K250 VanDerWaalsContact CG-NZ 3.25Å; D239-K250 IonicContact OD1-NZ 3.23Å; D239-K250 PolarHBondContact OD1-NZ 2.96Å; D239-K250 WeakPolarHBondContact OD2-CD 3.38Å; D239-K250 WeakPolarHBondContact OD2-CE 3.08Å; D239-K250 IonicContact OD2-NZ 3.67Å; D239-K250 PolarHBondContact OD2-NZ 3.28Å; S246-K250 WeakPolarHBondContact O-CB 3.34Å; S246-K250 PolarHBondContact O-N 3.43Å; S246-K250 VanDerWaalsContact O-N 3.11Å; F247-K250 PolarHBondContact O-N 3.18Å; Y248-K250 VanDerWaalsContact C-N 3.33Å; Y248-K250 PolarHBondContact O-N 2.84Å
251	Y	95.2	Very high	96	Very high	14 Å²	14	43.9 Å²	43.9	6%	0.055	24%	0.237	C	C	.	.	I	π-helix	trans	-99.5	-45.1	-169.9	-72.3	-86.9	0	0	0	111.7	L82 F86 F227 D239 L242 F247	L82-Y251 VanDerWaalsContact CD2-C 3.5Å; L82-Y251 WeakPolarHBondContact CD2-O 3.38Å; F86-Y251 HydrophobicContact CD1-CD1 4.18Å; F86-Y251 HydrophobicContact CD1-CE1 4.1Å; F86-Y251 HydrophobicContact CD2-CD1 4.07Å; F86-Y251 AromaticContact CE1-CD1 3.77Å; F86-Y251 HydrophobicContact CE1-CD1 3.77Å; F86-Y251 AromaticContact CE1-CE1 3.81Å; F86-Y251 HydrophobicContact CE1-CE1 3.81Å; F86-Y251 AromaticContact CE2-CD1 3.66Å; F86-Y251 HydrophobicContact CE2-CD1 3.66Å; F86-Y251 HydrophobicContact CE2-CE1 4.49Å; F86-Y251 HydrophobicContact CE2-CG 4.43Å; F86-Y251 HydrophobicContact CG-CD1 4.32Å; F86-Y251 AromaticContact CZ-CD1 3.49Å; F86-Y251 HydrophobicContact CZ-CD1 3.49Å; F86-Y251 VanDerWaalsContact CZ-CD1 3.49Å; F86-Y251 HydrophobicContact CZ-CE1 4.02Å; F86-Y251 HydrophobicContact CZ-CG 4.3Å; F227-Y251 AromaticContact CD1-CE1 3.98Å; F227-Y251 HydrophobicContact CD1-CE1 3.98Å; F227-Y251 HydrophobicContact CD1-CE2 4.17Å; F227-Y251 AromaticContact CD1-CZ 3.69Å; F227-Y251 HydrophobicContact CE1-CD1 4.31Å; F227-Y251 AromaticContact CE1-CE1 3.83Å; F227-Y251 HydrophobicContact CE1-CE1 3.83Å; D239-Y251 WeakPolarHBondContact CB-OH 3.26Å; D239-Y251 PolarHBondContact OD2-OH 2.93Å; L242-Y251 HydrophobicContact CD1-CE2 3.97Å; F247-Y251 AromaticContact CD2-CD2 3.52Å; F247-Y251 HydrophobicContact CD2-CD2 3.52Å; F247-Y251 AromaticContact CD2-CE2 3.88Å; F247-Y251 HydrophobicContact CD2-CE2 3.88Å; F247-Y251 HydrophobicContact CD2-CG 4.25Å; F247-Y251 AromaticContact CE2-CD2 3.62Å; F247-Y251 HydrophobicContact CE2-CD2 3.62Å; F247-Y251 HydrophobicContact CE2-CE2 4.01Å; F247-Y251 AromaticContact CE2-CG 3.92Å; F247-Y251 HydrophobicContact CE2-CG 3.92Å; F247-Y251 HydrophobicContact CG-CD2 4.01Å; F247-Y251 HydrophobicContact CZ-CD2 4.18Å; F247-Y251 HydrophobicContact CZ-CG 4.08Å; F247-Y251 WeakPolarHBondContact O-CB 3.48Å; F247-Y251 PolarHBondContact O-N 3.45Å
252	V	93.5	Very high	96	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.214	C	C	.	.	I	π-helix	trans	-74.6	-53.9	178.9	-179.9	0	0	0	0	109.1	F78 K81 V153 Y248 V254	F78-V252 HydrophobicContact CB-CG1 4.18Å; F78-V252 HydrophobicContact CB-CG2 4.45Å; F78-V252 HydrophobicContact CD1-CG1 3.92Å; F78-V252 HydrophobicContact CD2-CG1 3.78Å; F78-V252 HydrophobicContact CD2-CG2 4.21Å; F78-V252 HydrophobicContact CE1-CG1 4.27Å; F78-V252 HydrophobicContact CE2-CG1 4.11Å; F78-V252 HydrophobicContact CG-CG1 3.69Å; F78-V252 HydrophobicContact CG-CG2 4.5Å; F78-V252 HydrophobicContact CZ-CG1 4.37Å; K81-V252 PolarHBondContact NZ-O 3.49Å; V153-V252 HydrophobicContact CG2-CG2 3.8Å; Y248-V252 HydrophobicContact CD2-CB 3.86Å; Y248-V252 HydrophobicContact CD2-CG1 4.16Å; Y248-V252 HydrophobicContact CD2-CG2 3.91Å; Y248-V252 HydrophobicContact CE2-CB 4.01Å; Y248-V252 HydrophobicContact CE2-CG1 3.79Å; Y248-V252 HydrophobicContact CE2-CG2 4.37Å; Y248-V252 WeakPolarHBondContact O-CA 3.35Å; Y248-V252 VanDerWaalsContact O-CB 3.29Å; Y248-V252 WeakPolarHBondContact O-CB 3.28Å; Y248-V252 PolarHBondContact O-N 3.45Å; V252-V254 HydrophobicContact CG1-CB 4.03Å; V252-V254 HydrophobicContact CG1-CG2 3.9Å; V252-V254 WeakPolarHBondContact O-CG2 3.31Å; V252-V254 PolarHBondContact O-N 2.84Å
253	D	90.7	Very high	96	Very high	118 Å²	118	41.4 Å²	41.4	63%	0.631	21%	0.212	S	C	*	.			trans	48.2	56.8	177	-172.1	33.8	0	0	0	111.8	K81 Y248	K81-D253 PolarHBondContact NZ-O 3.34Å; Y248-D253 PolarHBondContact O-N 2.81Å; Y248-D253 VanDerWaalsContact O-N 3.12Å
254	V	90.3	Very high	96	Very high	21 Å²	21	39.2 Å²	39.2	13%	0.127	20%	0.199	C	C	.	.			trans	-129.6	126.1	178.8	177.2	0	0	0	0	108.9	K81 Y248 V252 L256 Y259	K81-V254 HydrophobicContact CD-CG2 4.18Å; Y248-V254 PolarHBondContact OH-O 3.23Å; V252-V254 HydrophobicContact CG1-CB 4.03Å; V252-V254 HydrophobicContact CG1-CG2 3.9Å; V252-V254 WeakPolarHBondContact O-CG2 3.31Å; V252-V254 PolarHBondContact O-N 2.84Å; V254-L256 HydrophobicContact CG1-CD2 3.85Å; V254-L256 HydrophobicContact CG1-CG 4.44Å; V254-L256 PolarHBondContact O-N 2.97Å; V254-Y259 HydrophobicContact CG1-CD2 4.21Å; V254-Y259 HydrophobicContact CG1-CE2 3.28Å
255	D	93.3	Very high	96	Very high	92 Å²	92	38.9 Å²	38.9	49%	0.492	20%	0.196	S	C	.	.			trans	-79.5	102.1	168.3	-170.8	-9.5	0	0	0	109.7	D257 E258 Y259	D255-D257 PolarHBondContact O-N 3.16Å; D255-D257 WeakPolarHBondContact OD1-CB 3.14Å; D255-D257 PolarHBondContact OD1-N 3.35Å; D255-E258 HydrophobicContact CB-CG 4.24Å; D255-E258 WeakPolarHBondContact O-CB 3.38Å; D255-E258 PolarHBondContact O-N 3.01Å; D255-E258 VanDerWaalsContact O-N 3.16Å; D255-Y259 VanDerWaalsContact O-CD2 3.27Å; D255-Y259 WeakPolarHBondContact O-CD2 3.3Å; D255-Y259 VanDerWaalsContact O-CE2 3.3Å; D255-Y259 WeakPolarHBondContact O-CE2 3.09Å
256	L	94.1	Very high	96.1	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-74.4	-7.5	-179.6	-63.9	173.5	0	0	0	113.5	F78 W141 V145 F148 Y248 V254 Y259 K288	F78-L256 HydrophobicContact CE1-CD2 3.7Å; F78-L256 HydrophobicContact CZ-CD1 3.92Å; F78-L256 HydrophobicContact CZ-CD2 3.56Å; F78-L256 HydrophobicContact CZ-CG 4.27Å; W141-L256 HydrophobicContact CH2-CD2 4.21Å; W141-L256 HydrophobicContact CZ2-CD2 3.87Å; V145-L256 HydrophobicContact CB-CB 4.42Å; V145-L256 HydrophobicContact CB-CD1 4.42Å; V145-L256 HydrophobicContact CG1-CB 3.68Å; V145-L256 HydrophobicContact CG1-CD1 4.2Å; V145-L256 HydrophobicContact CG2-CB 3.99Å; V145-L256 HydrophobicContact CG2-CD1 4.19Å; F148-L256 HydrophobicContact CB-CD1 3.92Å; F148-L256 HydrophobicContact CD2-CD1 3.6Å; F148-L256 HydrophobicContact CG-CD1 4.24Å; Y248-L256 HydrophobicContact CE2-CD1 4.46Å; Y248-L256 WeakPolarHBondContact OH-CD1 3.31Å; Y248-L256 VanDerWaalsContact OH-CG 3.31Å; Y248-L256 WeakPolarHBondContact OH-CG 3.33Å; V254-L256 HydrophobicContact CG1-CD2 3.85Å; V254-L256 HydrophobicContact CG1-CG 4.44Å; V254-L256 PolarHBondContact O-N 2.97Å; L256-Y259 HydrophobicContact CD2-CD2 4.24Å; L256-Y259 PolarHBondContact O-N 3.21Å; L256-K288 PolarHBondContact O-NZ 2.92Å
257	D	92.8	Very high	96.1	Very high	68 Å²	68	34.6 Å²	34.6	36%	0.364	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-75	-17.7	169.1	-68.5	-35.1	0	0	0	112.3	Q149 D255 Y259 K288 K414	Q149-D257 PolarHBondContact NE2-OD1 2.64Å; Q149-D257 PolarHBondContact NE2-OD2 3Å; D255-D257 PolarHBondContact O-N 3.16Å; D255-D257 WeakPolarHBondContact OD1-CB 3.14Å; D255-D257 PolarHBondContact OD1-N 3.35Å; D257-Y259 PolarHBondContact O-N 3.31Å; D257-K288 IonicContact OD1-NZ 2.72Å; D257-K288 PolarHBondContact OD1-NZ 2.78Å; D257-K414 WeakPolarHBondContact O-CE 3.18Å; D257-K414 PolarHBondContact O-NZ 2.94Å
258	E	96.2	Very high	96.1	Very high	90 Å²	90	43.6 Å²	43.6	42%	0.421	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-82.1	2.2	172.6	-64.9	-55.5	121.4	0	0	113.8	D255 R413 K414	D255-E258 HydrophobicContact CB-CG 4.24Å; D255-E258 WeakPolarHBondContact O-CB 3.38Å; D255-E258 PolarHBondContact O-N 3.01Å; D255-E258 VanDerWaalsContact O-N 3.16Å; E258-R413 CarbonylContact O-C 3.54Å; E258-R413 VanDerWaalsContact O-CA 3.26Å; E258-R413 WeakPolarHBondContact O-CA 3.36Å; E258-K414 PolarHBondContact O-N 3.02Å
259	Y	97.8	Very high	96.2	Very high	25 Å²	25	46.4 Å²	46.4	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.8	177.4	-63.4	-102.7	0	0	0	110.2	W141 V254 D255 L256 D257 E312 V411 V412 R413	W141-Y259 HydrophobicContact CZ2-CD1 4.46Å; W141-Y259 HydrophobicContact CZ2-CG 4.14Å; V254-Y259 HydrophobicContact CG1-CD2 4.21Å; V254-Y259 HydrophobicContact CG1-CE2 3.28Å; D255-Y259 VanDerWaalsContact O-CD2 3.27Å; D255-Y259 WeakPolarHBondContact O-CD2 3.3Å; D255-Y259 VanDerWaalsContact O-CE2 3.3Å; D255-Y259 WeakPolarHBondContact O-CE2 3.09Å; L256-Y259 HydrophobicContact CD2-CD2 4.24Å; L256-Y259 PolarHBondContact O-N 3.21Å; D257-Y259 PolarHBondContact O-N 3.31Å; Y259-E312 VanDerWaalsContact CE1-OE1 3.28Å; Y259-E312 WeakPolarHBondContact CE1-OE1 3.49Å; Y259-E312 PolarHBondContact OH-OE1 3.46Å; Y259-V411 HydrophobicContact CD1-CG1 4.25Å; Y259-V412 WeakPolarHBondContact CA-O 2.99Å; Y259-R413 HydrophobicContact CD1-CG 4.11Å; Y259-R413 HydrophobicContact CE1-CG 3.64Å; Y259-R413 HydrophobicContact CE2-CG 4.39Å
260	I	97.8	Very high	96.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.5	-179.8	59.9	165.9	0	0	0	110.9	I262 V411 V412 K414 L417 F425	I260-I262 HydrophobicContact CD1-CD1 3.66Å; I260-I262 HydrophobicContact CG1-CD1 4.1Å; I260-V411 WeakPolarHBondContact O-CA 3.46Å; I260-V412 PolarHBondContact N-O 3.37Å; I260-V412 PolarHBondContact O-N 3.48Å; I260-V412 VanDerWaalsContact O-N 3.11Å; I260-K414 HydrophobicContact CB-CG 4.45Å; I260-K414 HydrophobicContact CD1-CG 4.44Å; I260-K414 HydrophobicContact CG1-CG 4.26Å; I260-K414 HydrophobicContact CG2-CD 3.98Å; I260-K414 HydrophobicContact CG2-CG 3.45Å; I260-K414 VanDerWaalsContact CG2-CG 3.45Å; I260-L417 HydrophobicContact CD1-CD1 3.71Å; I260-L417 HydrophobicContact CD1-CD2 3.27Å; I260-L417 HydrophobicContact CD1-CG 4.11Å; I260-L417 HydrophobicContact CG1-CD1 4.41Å; I260-F425 HydrophobicContact CB-CD2 4.38Å; I260-F425 HydrophobicContact CB-CE1 4.38Å; I260-F425 HydrophobicContact CB-CE2 3.89Å; I260-F425 HydrophobicContact CB-CZ 3.9Å; I260-F425 HydrophobicContact CD1-CD2 4.2Å; I260-F425 HydrophobicContact CD1-CG 4.17Å; I260-F425 HydrophobicContact CG2-CD1 4.07Å; I260-F425 HydrophobicContact CG2-CD2 4.4Å; I260-F425 HydrophobicContact CG2-CE1 3.45Å; I260-F425 VanDerWaalsContact CG2-CE1 3.45Å; I260-F425 HydrophobicContact CG2-CE2 3.82Å; I260-F425 HydrophobicContact CG2-CZ 3.3Å
261	S	98.5	Very high	96.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.7	173.5	-175.3	0	0	0	0	111.2	Y292 L293 Q409 I410	S261-Y292 WeakPolarHBondContact O-CA 3.16Å; S261-Y292 WeakPolarHBondContact OG-CD1 3.3Å; S261-L293 PolarHBondContact O-N 3.33Å; S261-Q409 WeakPolarHBondContact OG-CG 3.48Å; S261-Q409 PolarHBondContact OG-NE2 3.46Å; S261-I410 WeakPolarHBondContact CA-O 3.35Å
262	I	98.8	Very high	96.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.8	167.4	-49.5	-57.4	0	0	0	107.5	I260 L293 L295 F300 L303 Q409 I410 V412 L417	I260-I262 HydrophobicContact CD1-CD1 3.66Å; I260-I262 HydrophobicContact CG1-CD1 4.1Å; I262-L293 CarbonylContact C-O 3.58Å; I262-L293 WeakPolarHBondContact CA-O 3.36Å; I262-L293 HydrophobicContact CD1-CB 3.94Å; I262-L293 HydrophobicContact CD1-CD2 3.98Å; I262-L293 HydrophobicContact CD1-CG 4.37Å; I262-L295 HydrophobicContact CD1-CD1 4.3Å; I262-L295 HydrophobicContact CG2-CB 3.97Å; I262-L295 HydrophobicContact CG2-CD1 3.69Å; I262-L295 HydrophobicContact CG2-CG 3.87Å; I262-F300 HydrophobicContact CB-CD2 4.41Å; I262-F300 HydrophobicContact CG2-CD2 3.74Å; I262-F300 HydrophobicContact CG2-CE2 4.33Å; I262-L303 HydrophobicContact CD1-CD1 4.28Å; I262-L303 HydrophobicContact CG1-CD1 4Å; I262-Q409 CarbonylContact O-C 3.52Å; I262-Q409 VanDerWaalsContact O-CA 3.26Å; I262-Q409 WeakPolarHBondContact O-CA 3.18Å; I262-I410 HydrophobicContact CB-CD1 4.41Å; I262-I410 HydrophobicContact CB-CG1 3.8Å; I262-I410 HydrophobicContact CG1-CG1 4.31Å; I262-I410 PolarHBondContact N-O 3.36Å; I262-I410 PolarHBondContact O-N 3.38Å; I262-V412 HydrophobicContact CD1-CG2 4.45Å; I262-V412 HydrophobicContact CG1-CG2 3.8Å; I262-L417 HydrophobicContact CD1-CD1 4.46Å
263	I	98.8	Very high	96.9	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	160.3	171.9	64.9	172.6	0	0	0	111.3	A265 Y292 L293 N294 L295 Y408 Q409 M438	I263-A265 HydrophobicContact CD1-CB 4.3Å; I263-Y292 HydrophobicContact CD1-CD2 4.19Å; I263-Y292 HydrophobicContact CD1-CG 4.09Å; I263-Y292 HydrophobicContact CG1-CG 4.48Å; I263-Y292 HydrophobicContact CG2-CD1 3.66Å; I263-Y292 HydrophobicContact CG2-CD2 4.49Å; I263-Y292 HydrophobicContact CG2-CE1 4.33Å; I263-Y292 HydrophobicContact CG2-CG 3.74Å; I263-L293 PolarHBondContact N-O 2.96Å; I263-N294 HydrophobicContact CD1-CB 4.18Å; I263-N294 HydrophobicContact CG1-CB 3.86Å; I263-N294 WeakPolarHBondContact O-CA 3.24Å; I263-N294 PolarHBondContact O-OD1 3.14Å; I263-N294 VanDerWaalsContact O-OD1 3.13Å; I263-L295 PolarHBondContact O-N 3.4Å; I263-Y408 CarbonylContact C-O 3.37Å; I263-Y408 WeakPolarHBondContact CA-O 3.49Å; I263-Y408 WeakPolarHBondContact CB-O 3.41Å; I263-Q409 HydrophobicContact CG2-CB 4.26Å; I263-Q409 HydrophobicContact CG2-CG 4.04Å; I263-M438 HydrophobicContact CD1-CG 4.12Å; I263-M438 HydrophobicContact CD1-SD 4.2Å
264	N	98.8	Very high	97.2	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.032	22%	0.223	C	C	.	.			trans	-125.9	99.7	162.5	179.4	-96.3	0	0	0	109.3	N294 L295 M297 F300 K350 Y408	N264-N294 WeakPolarHBondContact CA-OD1 3.26Å; N264-L295 PolarHBondContact ND2-O 2.87Å; N264-M297 HydrophobicContact CB-CG 4.41Å; N264-M297 HydrophobicContact CB-SD 3.46Å; N264-M297 WeakPolarHBondContact CB-SD 3.42Å; N264-M297 PolarHBondContact ND2-N 2.9Å; N264-M297 PolarHBondContact OD1-SD 3.16Å; N264-F300 HydrophobicContact CB-CD2 4.04Å; N264-F300 HydrophobicContact CB-CE2 4.3Å; N264-K350 WeakPolarHBondContact OD1-CE 3.28Å; N264-K350 PolarHBondContact OD1-NZ 3.25Å; N264-Y408 PolarHBondContact N-O 3.45Å
265	A	98.6	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.			trans	-124.3	92.6	176.7	0	0	0	0	0	108.7	I263 T267 K270 N294 L354 M438	I263-A265 HydrophobicContact CD1-CB 4.3Å; A265-T267 PolarHBondContact O-N 2.83Å; A265-K270 HydrophobicContact CB-CD 3.68Å; A265-N294 PolarHBondContact N-OD1 3.35Å; A265-N294 PolarHBondContact O-ND2 2.79Å; A265-L354 HydrophobicContact CB-CD1 4.39Å; A265-M438 HydrophobicContact CB-CG 3.95Å; A265-M438 HydrophobicContact CB-SD 3.73Å
266	P	98.6	Very high	97.9	Very high	46 Å²	46	39.1 Å²	39.1	30%	0.299	20%	0.195	S	C	.	.			trans	-80.6	28.9	-171	33.4	-37.1	0	0	0	113.8	F272 K350 A351	P266-F272 HydrophobicContact CB-CZ 4.06Å; P266-K350 HydrophobicContact CG-CB 3.89Å; P266-K350 HydrophobicContact CG-CD 4.02Å; P266-K350 HydrophobicContact CG-CG 3.92Å; P266-A351 HydrophobicContact CG-CB 4.31Å; P266-A351 WeakPolarHBondContact O-CB 3.43Å
267	T	98.5	Very high	98.1	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.037	20%	0.196	C	C	.	.			trans	-81.8	152.1	179.4	57.7	0	0	0	0	111	A265 D269 K270 A351 L354 D355	A265-T267 PolarHBondContact O-N 2.83Å; T267-D269 WeakPolarHBondContact CB-OD1 3.3Å; T267-D269 PolarHBondContact O-N 3.36Å; T267-D269 PolarHBondContact OG1-OD1 3.21Å; T267-K270 PolarHBondContact O-N 3.3Å; T267-A351 HydrophobicContact CG2-CB 4.25Å; T267-L354 HydrophobicContact CG2-CB 3.85Å; T267-L354 HydrophobicContact CG2-CD1 4.01Å; T267-D355 VanDerWaalsContact CG2-OD1 3.32Å; T267-D355 WeakPolarHBondContact CG2-OD1 3.27Å
268	E	98.1	Very high	98.3	Very high	190 Å²	190	36.3 Å²	36.3	89%	0.888	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.2	-174.7	-66.8	-171.4	164	0	0	113.4	K270	E268-K270 PolarHBondContact O-N 3.35Å
269	D	98.2	Very high	98.4	Very high	80 Å²	80	35.5 Å²	35.5	43%	0.428	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-11.4	179.3	73.7	-47.5	0	0	0	113.5	T267 P271	T267-D269 WeakPolarHBondContact CB-OD1 3.3Å; T267-D269 PolarHBondContact O-N 3.36Å; T267-D269 PolarHBondContact OG1-OD1 3.21Å; D269-P271 WeakPolarHBondContact O-CD 3.27Å
270	K	98.6	Very high	98.3	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.022	18%	0.181	C	C	.	.	S	Bend	trans	-120.2	63.6	-178.6	-63	172.9	-171.9	67.1	0	112.5	A265 T267 E268 F272 Y276 N294 L432 D436 M438	A265-K270 HydrophobicContact CB-CD 3.68Å; T267-K270 PolarHBondContact O-N 3.3Å; E268-K270 PolarHBondContact O-N 3.35Å; K270-F272 PolarHBondContact O-N 2.92Å; K270-Y276 WeakPolarHBondContact CA-OH 3.49Å; K270-Y276 HydrophobicContact CB-CE1 4.12Å; K270-Y276 HydrophobicContact CB-CE2 4.39Å; K270-Y276 HydrophobicContact CG-CD1 4.29Å; K270-Y276 HydrophobicContact CG-CE1 3.94Å; K270-N294 PolarHBondContact O-ND2 3.06Å; K270-L432 HydrophobicContact CD-CD1 4.41Å; K270-L432 HydrophobicContact CG-CD2 4.35Å; K270-D436 VanDerWaalsContact CE-OD1 3.26Å; K270-D436 WeakPolarHBondContact CE-OD1 3.45Å; K270-D436 VanDerWaalsContact CE-OD2 3.28Å; K270-D436 WeakPolarHBondContact CE-OD2 3.35Å; K270-D436 IonicContact NZ-OD1 3.05Å; K270-D436 PolarHBondContact NZ-OD1 2.93Å; K270-D436 IonicContact NZ-OD2 2.79Å; K270-D436 PolarHBondContact NZ-OD2 3.24Å; K270-M438 HydrophobicContact CD-CG 4.24Å
271	P	98.5	Very high	98.3	Very high	56 Å²	56	36.7 Å²	36.7	36%	0.364	19%	0.186	S	C	.	.			trans	-49.9	139.8	173.2	-24.7	32.5	0	0	0	112.6	D269 K274 Y276	D269-P271 WeakPolarHBondContact O-CD 3.27Å; P271-K274 HydrophobicContact CB-CD 4.2Å; P271-Y276 VanDerWaalsContact CD-OH 3.3Å; P271-Y276 WeakPolarHBondContact CD-OH 3.32Å; P271-Y276 VanDerWaalsContact N-OH 3.09Å; P271-Y276 PolarHBondContact O-OH 3.36Å
272	F	98.6	Very high	98.2	Very high	67 Å²	67	37.5 Å²	37.5	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	-61.5	165.5	174.9	-58.5	-56.1	0	0	0	112.1	P266 K270 K274 N294 L295 E296	P266-F272 HydrophobicContact CB-CZ 4.06Å; K270-F272 PolarHBondContact O-N 2.92Å; F272-K274 VanDerWaalsContact C-N 3.26Å; F272-K274 PolarHBondContact O-N 2.8Å; F272-N294 CarbonylContact C-O 3.51Å; F272-N294 WeakPolarHBondContact CA-O 3.14Å; F272-N294 HydrophobicContact CD1-CB 4.42Å; F272-L295 WeakPolarHBondContact CD1-O 3.31Å; F272-L295 VanDerWaalsContact CE1-O 3.29Å; F272-L295 WeakPolarHBondContact CE1-O 3.28Å; F272-E296 HydrophobicContact CB-CG 4.49Å; F272-E296 HydrophobicContact CD1-CG 4.38Å; F272-E296 HydrophobicContact CD2-CG 3.36Å; F272-E296 HydrophobicContact CE1-CG 4.5Å; F272-E296 HydrophobicContact CE2-CG 3.52Å; F272-E296 HydrophobicContact CG-CG 3.85Å; F272-E296 HydrophobicContact CZ-CG 4.1Å
273	M	98.5	Very high	98.2	Very high	75 Å²	75	37.6 Å²	37.6	37%	0.369	20%	0.195	S	C	.	.	S	Bend	trans	58.7	38	-176.7	-61.7	-64.3	-66.8	0	0	112.7	N294 L295 E420 Q421 A424	M273-N294 PolarHBondContact N-O 3.19Å; M273-L295 HydrophobicContact SD-CD2 3.46Å; M273-L295 WeakPolarHBondContact SD-CD2 3.31Å; M273-E420 HydrophobicContact CE-CB 3.91Å; M273-Q421 HydrophobicContact CE-CB 4.39Å; M273-Q421 HydrophobicContact CE-CG 3.87Å; M273-Q421 HydrophobicContact SD-CG 3.87Å; M273-A424 HydrophobicContact CB-CB 4.49Å; M273-A424 HydrophobicContact CE-CB 4.19Å; M273-A424 WeakPolarHBondContact O-CB 3.44Å
274	K	98.5	Very high	98.2	Very high	98 Å²	98	38 Å²	38	43%	0.426	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	152	173.1	-67.9	-173	178.7	-178.9	0	110.4	P271 F272 Y276 N294	P271-K274 HydrophobicContact CB-CD 4.2Å; F272-K274 VanDerWaalsContact C-N 3.26Å; F272-K274 PolarHBondContact O-N 2.8Å; K274-Y276 HydrophobicContact CB-CE2 3.73Å; K274-Y276 WeakPolarHBondContact CB-OH 3.44Å; K274-Y276 WeakPolarHBondContact O-CD2 3.34Å; K274-Y276 VanDerWaalsContact O-CE2 3.28Å; K274-Y276 WeakPolarHBondContact O-CE2 3.32Å; K274-N294 PolarHBondContact O-N 3.07Å
275	S	98.5	Very high	98.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	149.8	173.2	61.6	0	0	0	0	112.3	Y292 A424 A427 P429 T430	S275-Y292 CarbonylContact C-O 3.56Å; S275-Y292 WeakPolarHBondContact CA-O 3.41Å; S275-Y292 WeakPolarHBondContact CB-O 3.43Å; S275-A424 WeakPolarHBondContact CB-O 3.34Å; S275-A424 PolarHBondContact OG-O 2.91Å; S275-A427 PolarHBondContact OG-O 3.07Å; S275-P429 WeakPolarHBondContact O-CA 3.4Å; S275-P429 WeakPolarHBondContact OG-CA 3.26Å; S275-T430 PolarHBondContact O-N 3.07Å
276	Y	98.7	Very high	97.9	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.4	-178.1	-59.7	-92.4	0	0	0	110.6	K270 P271 K274 K291 Y292 N294 T430 L432	K270-Y276 WeakPolarHBondContact CA-OH 3.49Å; K270-Y276 HydrophobicContact CB-CE1 4.12Å; K270-Y276 HydrophobicContact CB-CE2 4.39Å; K270-Y276 HydrophobicContact CG-CD1 4.29Å; K270-Y276 HydrophobicContact CG-CE1 3.94Å; P271-Y276 VanDerWaalsContact CD-OH 3.3Å; P271-Y276 WeakPolarHBondContact CD-OH 3.32Å; P271-Y276 VanDerWaalsContact N-OH 3.09Å; P271-Y276 PolarHBondContact O-OH 3.36Å; K274-Y276 HydrophobicContact CB-CE2 3.73Å; K274-Y276 WeakPolarHBondContact CB-OH 3.44Å; K274-Y276 WeakPolarHBondContact O-CD2 3.34Å; K274-Y276 VanDerWaalsContact O-CE2 3.28Å; K274-Y276 WeakPolarHBondContact O-CE2 3.32Å; Y276-K291 WeakPolarHBondContact O-CA 3.39Å; Y276-Y292 PolarHBondContact N-O 3.44Å; Y276-Y292 PolarHBondContact O-N 3.21Å; Y276-N294 HydrophobicContact CD2-CB 3.99Å; Y276-N294 HydrophobicContact CE2-CB 3.62Å; Y276-T430 WeakPolarHBondContact CA-O 3.26Å; Y276-T430 HydrophobicContact CD1-CG2 4.14Å; Y276-T430 HydrophobicContact CE1-CG2 4.14Å; Y276-L432 HydrophobicContact CD1-CD1 4.17Å; Y276-L432 HydrophobicContact CD1-CD2 3.91Å; Y276-L432 HydrophobicContact CD1-CG 4.09Å; Y276-L432 HydrophobicContact CG-CD1 4.36Å
277	T	98.6	Very high	97.8	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	165.7	166.8	-169.3	0	0	0	0	108.4	Q289 V290 P429 T430 V431 L432	T277-Q289 WeakPolarHBondContact OG1-CG 3.47Å; T277-V290 WeakPolarHBondContact CA-O 3.36Å; T277-V290 WeakPolarHBondContact CB-O 3.4Å; T277-V290 PolarHBondContact OG1-O 3.04Å; T277-P429 HydrophobicContact CG2-CB 4.14Å; T277-P429 HydrophobicContact CG2-CG 3.99Å; T277-T430 PolarHBondContact N-O 3.27Å; T277-V431 HydrophobicContact CG2-CB 4.27Å; T277-V431 HydrophobicContact CG2-CG1 4.39Å; T277-V431 HydrophobicContact CG2-CG2 3.83Å; T277-L432 WeakPolarHBondContact O-CB 3.07Å; T277-L432 WeakPolarHBondContact O-CG 3.23Å; T277-L432 PolarHBondContact O-N 3.09Å
278	V	98.2	Very high	97.6	Very high	5 Å²	5	49 Å²	49	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.5	179.5	-179.4	0	0	0	0	108.4	L281 Y292 L432 A433	V278-L281 HydrophobicContact CB-CB 3.84Å; V278-L281 HydrophobicContact CB-CD2 3.71Å; V278-L281 HydrophobicContact CB-CG 4.45Å; V278-L281 HydrophobicContact CG1-CB 4.01Å; V278-L281 HydrophobicContact CG1-CD2 4.22Å; V278-L281 HydrophobicContact CG2-CD2 4.09Å; V278-L281 WeakPolarHBondContact O-CB 3.47Å; V278-L281 PolarHBondContact O-N 3.41Å; V278-Y292 HydrophobicContact CG2-CE2 4.03Å; V278-L432 HydrophobicContact CG2-CB 4.22Å; V278-L432 HydrophobicContact CG2-CD1 4.19Å; V278-A433 WeakPolarHBondContact CG1-O 3.41Å
279	D	97.1	Very high	97.5	Very high	72 Å²	72	45.1 Å²	45.1	39%	0.385	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	143.1	-179	-168.6	25.5	0	0	0	111.8	L281 V431 L432 P434	D279-L281 PolarHBondContact O-N 3.02Å; D279-V431 HydrophobicContact CB-CG1 3.81Å; D279-L432 WeakPolarHBondContact CB-O 3.36Å; D279-L432 PolarHBondContact N-O 3.47Å; D279-P434 HydrophobicContact CB-CG 4.16Å; D279-P434 WeakPolarHBondContact O-CA 3.17Å
280	M	96.1	Very high	97.5	Very high	28 Å²	28	41.3 Å²	41.3	14%	0.138	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	10.4	-176.3	-60	-171	-75.3	0	0	116.3	Y109 N113 T117 E126 L130 P434	Y109-M280 WeakPolarHBondContact CE1-O 3.14Å; N113-M280 HydrophobicContact CB-SD 4.39Å; N113-M280 PolarHBondContact ND2-O 3.2Å; T117-M280 HydrophobicContact CG2-SD 4.24Å; E126-M280 HydrophobicContact CB-CE 3.93Å; E126-M280 HydrophobicContact CG-CE 3.96Å; L130-M280 HydrophobicContact CD1-SD 3.81Å; L130-M280 HydrophobicContact CD2-SD 3.97Å; L130-M280 HydrophobicContact CG-CE 4.44Å; L130-M280 HydrophobicContact CG-SD 4.06Å; M280-P434 HydrophobicContact CE-CB 3.75Å; M280-P434 HydrophobicContact CE-CG 3.16Å
281	L	97.1	Very high	97.4	Very high	23 Å²	23	42.8 Å²	42.8	12%	0.12	23%	0.228	C	C	.	.			trans	-88.6	111.8	176.6	-174.8	65.1	0	0	0	111.1	Q140 V278 D279 V290 L441	Q140-L281 HydrophobicContact CG-CD2 4.29Å; V278-L281 HydrophobicContact CB-CB 3.84Å; V278-L281 HydrophobicContact CB-CD2 3.71Å; V278-L281 HydrophobicContact CB-CG 4.45Å; V278-L281 HydrophobicContact CG1-CB 4.01Å; V278-L281 HydrophobicContact CG1-CD2 4.22Å; V278-L281 HydrophobicContact CG2-CD2 4.09Å; V278-L281 WeakPolarHBondContact O-CB 3.47Å; V278-L281 PolarHBondContact O-N 3.41Å; D279-L281 PolarHBondContact O-N 3.02Å; L281-V290 HydrophobicContact CD2-CB 4.29Å; L281-V290 HydrophobicContact CD2-CG1 4.02Å; L281-V290 HydrophobicContact CD2-CG2 4.23Å; L281-V290 HydrophobicContact CG-CG2 4.21Å; L281-L441 HydrophobicContact CD1-CD1 4.35Å; L281-L441 HydrophobicContact CD1-CD2 3.53Å; L281-L441 HydrophobicContact CD1-CG 4.11Å
282	G	97.8	Very high	97.4	Very high	17 Å²	17	40.1 Å²	40.1	18%	0.175	21%	0.21	C	C	.	.			trans	179.6	-179.7	176.2	0	0	0	0	0	113.1
283	N	98.3	Very high	97.4	Very high	3 Å²	3	37 Å²	37	2%	0.016	20%	0.196	C	C	.	.	S	Bend	trans	-133.1	-46.5	174.3	56.5	-7.8	0	0	0	112.6	D102 E105 K106 Y109 M143 L147	D102-N283 PolarHBondContact OD1-ND2 3.15Å; E105-N283 CarbonylContact C-O 3.59Å; E105-N283 VanDerWaalsContact CB-O 3.3Å; E105-N283 WeakPolarHBondContact CB-O 3.36Å; K106-N283 HydrophobicContact CD-CB 4.45Å; K106-N283 HydrophobicContact CG-CB 3.54Å; K106-N283 PolarHBondContact N-O 3.05Å; Y109-N283 WeakPolarHBondContact CB-O 3.33Å; M143-N283 WeakPolarHBondContact CA-OD1 3.36Å; M143-N283 WeakPolarHBondContact CB-ND2 3.17Å; M143-N283 HydrophobicContact CE-CB 3.75Å; M143-N283 PolarHBondContact O-ND2 3.46Å; M143-N283 PolarHBondContact O-OD1 3.28Å; L147-N283 WeakPolarHBondContact CD1-ND2 3.41Å
284	V	98.5	Very high	97.4	Very high	11 Å²	11	33.4 Å²	33.4	7%	0.067	18%	0.179	C	C	.	.	S	Bend	trans	-96.9	122	179.7	-175.4	0	0	0	0	109.1	E105 L147 K150 D286 G287	E105-V284 HydrophobicContact CB-CG2 4.06Å; E105-V284 HydrophobicContact CG-CG2 3.97Å; L147-V284 HydrophobicContact CD2-CG2 3.95Å; L147-V284 HydrophobicContact CG-CG2 4.42Å; K150-V284 HydrophobicContact CD-CG1 3.93Å; V284-D286 PolarHBondContact O-N 2.97Å; V284-G287 WeakPolarHBondContact O-CA 3.49Å; V284-G287 PolarHBondContact O-N 3.25Å
285	V	97.4	Very high	97.4	Very high	35 Å²	35	28.8 Å²	28.8	21%	0.212	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	132.6	172.6	-178.7	0	0	0	0	108.5	Y109 E112 G287	Y109-V285 HydrophobicContact CD2-CG2 3.96Å; E112-V285 HydrophobicContact CG-CG1 4.2Å; E112-V285 HydrophobicContact CG-CG2 3.69Å; V285-G287 PolarHBondContact O-N 3.18Å; V285-G287 VanDerWaalsContact O-N 3.17Å
286	D	93.8	Very high	97.5	Very high	168 Å²	168	33.6 Å²	33.6	90%	0.898	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	15.3	-170.3	-51.3	-41.7	0	0	0	114.8	V284	V284-D286 PolarHBondContact O-N 2.97Å
287	G	95.6	Very high	97.4	Very high	31 Å²	31	34.9 Å²	34.9	32%	0.32	19%	0.187	S	C	.	.	S	Bend	trans	-73.6	-175.4	171.9	0	0	0	0	0	112.9	V284 V285 Q289	V284-G287 WeakPolarHBondContact O-CA 3.49Å; V284-G287 PolarHBondContact O-N 3.25Å; V285-G287 PolarHBondContact O-N 3.18Å; V285-G287 VanDerWaalsContact O-N 3.17Å; G287-Q289 PolarHBondContact O-N 3.17Å
288	K	94.8	Very high	97.4	Very high	54 Å²	54	42 Å²	42	24%	0.235	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-63.7	121.9	176.9	-168.6	169.1	-175.3	153.4	0	109.7	D142 V145 S146 L256 D257 V290	D142-K288 HydrophobicContact CB-CB 4.35Å; D142-K288 HydrophobicContact CB-CD 4.25Å; D142-K288 HydrophobicContact CB-CG 4.04Å; D142-K288 WeakPolarHBondContact OD1-CD 3.47Å; D142-K288 VanDerWaalsContact OD1-CE 3.26Å; D142-K288 WeakPolarHBondContact OD1-CE 3.16Å; V145-K288 HydrophobicContact CB-CD 4.15Å; V145-K288 HydrophobicContact CG1-CD 3.72Å; S146-K288 WeakPolarHBondContact OG-CB 3.4Å; S146-K288 PolarHBondContact OG-N 3.46Å; L256-K288 PolarHBondContact O-NZ 2.92Å; D257-K288 IonicContact OD1-NZ 2.72Å; D257-K288 PolarHBondContact OD1-NZ 2.78Å; K288-V290 PolarHBondContact O-N 3.25Å
289	Q	96	Very high	97.4	Very high	109 Å²	109	44.6 Å²	44.6	51%	0.509	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-63.1	134.8	174	-177.8	-177.7	58.9	0	0	109.4	T277 G287 K291	T277-Q289 WeakPolarHBondContact OG1-CG 3.47Å; G287-Q289 PolarHBondContact O-N 3.17Å; Q289-K291 PolarHBondContact O-N 3.46Å; Q289-K291 VanDerWaalsContact O-N 3.16Å
290	V	97.4	Very high	97.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-62.3	117.2	172.2	178.9	0	0	0	0	109.2	Q140 D142 M143 T277 L281 K288 Y292	Q140-V290 HydrophobicContact CB-CG1 4.43Å; Q140-V290 HydrophobicContact CB-CG2 4.33Å; D142-V290 HydrophobicContact CB-CG2 4.27Å; D142-V290 WeakPolarHBondContact OD2-CA 3.17Å; M143-V290 HydrophobicContact CG-CG2 4.05Å; T277-V290 WeakPolarHBondContact CA-O 3.36Å; T277-V290 WeakPolarHBondContact CB-O 3.4Å; T277-V290 PolarHBondContact OG1-O 3.04Å; L281-V290 HydrophobicContact CD2-CB 4.29Å; L281-V290 HydrophobicContact CD2-CG1 4.02Å; L281-V290 HydrophobicContact CD2-CG2 4.23Å; L281-V290 HydrophobicContact CG-CG2 4.21Å; K288-V290 PolarHBondContact O-N 3.25Å; V290-Y292 HydrophobicContact CG1-CD1 4.47Å; V290-Y292 HydrophobicContact CG1-CE1 3.59Å; V290-Y292 HydrophobicContact CG1-CE2 3.85Å; V290-Y292 WeakPolarHBondContact CG1-OH 3.42Å
291	K	98	Very high	97.6	Very high	35 Å²	35	41.3 Å²	41.3	15%	0.152	22%	0.215	C	C	.	.			trans	-135.4	127.4	-175.8	-164.4	176.8	-166.7	-177.2	0	111.5	D142 Y276 Q289 F425 A427	D142-K291 PolarHBondContact OD2-N 3.4Å; Y276-K291 WeakPolarHBondContact O-CA 3.39Å; Q289-K291 PolarHBondContact O-N 3.46Å; Q289-K291 VanDerWaalsContact O-N 3.16Å; K291-F425 HydrophobicContact CB-CE2 4.22Å; K291-F425 HydrophobicContact CD-CD2 4.48Å; K291-F425 HydrophobicContact CD-CE2 3.93Å; K291-F425 HydrophobicContact CD-CZ 4Å; K291-F425 WeakPolarHBondContact CE-O 3.43Å; K291-F425 HydrophobicContact CG-CE2 3.9Å; K291-F425 HydrophobicContact CG-CZ 4.37Å; K291-F425 PolarHBondContact NZ-O 2.83Å; K291-A427 WeakPolarHBondContact CE-O 3.5Å; K291-A427 PolarHBondContact NZ-O 2.58Å
292	Y	98.1	Very high	97.7	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.5	179.9	-48	-56.6	0	0	0	110.9	Q140 S261 I263 S275 Y276 V278 V290 M438	Q140-Y292 PolarHBondContact NE2-OH 3.02Å; Q140-Y292 PolarHBondContact OE1-OH 2.74Å; Q140-Y292 VanDerWaalsContact OE1-OH 3.08Å; S261-Y292 WeakPolarHBondContact O-CA 3.16Å; S261-Y292 WeakPolarHBondContact OG-CD1 3.3Å; I263-Y292 HydrophobicContact CD1-CD2 4.19Å; I263-Y292 HydrophobicContact CD1-CG 4.09Å; I263-Y292 HydrophobicContact CG1-CG 4.48Å; I263-Y292 HydrophobicContact CG2-CD1 3.66Å; I263-Y292 HydrophobicContact CG2-CD2 4.49Å; I263-Y292 HydrophobicContact CG2-CE1 4.33Å; I263-Y292 HydrophobicContact CG2-CG 3.74Å; S275-Y292 CarbonylContact C-O 3.56Å; S275-Y292 WeakPolarHBondContact CA-O 3.41Å; S275-Y292 WeakPolarHBondContact CB-O 3.43Å; Y276-Y292 PolarHBondContact N-O 3.44Å; Y276-Y292 PolarHBondContact O-N 3.21Å; V278-Y292 HydrophobicContact CG2-CE2 4.03Å; V290-Y292 HydrophobicContact CG1-CD1 4.47Å; V290-Y292 HydrophobicContact CG1-CE1 3.59Å; V290-Y292 HydrophobicContact CG1-CE2 3.85Å; V290-Y292 WeakPolarHBondContact CG1-OH 3.42Å; Y292-M438 HydrophobicContact CE2-CB 4.4Å; Y292-M438 PolarHBondContact OH-O 3.43Å; Y292-M438 VanDerWaalsContact OH-O 3.1Å
293	L	98.8	Very high	97.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.6	157.9	175.5	63.2	0	0	0	108.7	S261 I262 I263 L295 L417 Q421 A424 F425	S261-L293 PolarHBondContact O-N 3.33Å; I262-L293 CarbonylContact C-O 3.58Å; I262-L293 WeakPolarHBondContact CA-O 3.36Å; I262-L293 HydrophobicContact CD1-CB 3.94Å; I262-L293 HydrophobicContact CD1-CD2 3.98Å; I262-L293 HydrophobicContact CD1-CG 4.37Å; I263-L293 PolarHBondContact N-O 2.96Å; L293-L295 HydrophobicContact CD1-CD2 4.34Å; L293-L295 HydrophobicContact CD2-CD1 4Å; L293-L295 HydrophobicContact CD2-CD2 3.91Å; L293-L295 HydrophobicContact CD2-CG 4.02Å; L293-L295 HydrophobicContact CG-CD1 4.42Å; L293-L295 HydrophobicContact CG-CD2 3.89Å; L293-L295 HydrophobicContact CG-CG 3.93Å; L293-L417 HydrophobicContact CD2-CD2 3.86Å; L293-Q421 HydrophobicContact CD2-CB 4.02Å; L293-Q421 WeakPolarHBondContact CD2-O 3.23Å; L293-A424 HydrophobicContact CD1-CB 3.71Å; L293-F425 HydrophobicContact CB-CB 4.29Å; L293-F425 HydrophobicContact CB-CD2 4.08Å; L293-F425 HydrophobicContact CD2-CB 4.24Å
294	N	98.8	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121	177	-162.4	19.8	0	0	0	111	I263 N264 A265 K270 F272 M273 K274 Y276	I263-N294 HydrophobicContact CD1-CB 4.18Å; I263-N294 HydrophobicContact CG1-CB 3.86Å; I263-N294 WeakPolarHBondContact O-CA 3.24Å; I263-N294 PolarHBondContact O-OD1 3.14Å; I263-N294 VanDerWaalsContact O-OD1 3.13Å; N264-N294 WeakPolarHBondContact CA-OD1 3.26Å; A265-N294 PolarHBondContact N-OD1 3.35Å; A265-N294 PolarHBondContact O-ND2 2.79Å; K270-N294 PolarHBondContact O-ND2 3.06Å; F272-N294 CarbonylContact C-O 3.51Å; F272-N294 WeakPolarHBondContact CA-O 3.14Å; F272-N294 HydrophobicContact CD1-CB 4.42Å; M273-N294 PolarHBondContact N-O 3.19Å; K274-N294 PolarHBondContact O-N 3.07Å; Y276-N294 HydrophobicContact CD2-CB 3.99Å; Y276-N294 HydrophobicContact CE2-CB 3.62Å
295	L	98.9	Very high	97.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.221	C	C	.	.			trans	-127.1	159.2	-179.2	-63.8	-175.9	0	0	0	112	I262 I263 N264 F272 M273 L293 D299 L303 Q421	I262-L295 HydrophobicContact CD1-CD1 4.3Å; I262-L295 HydrophobicContact CG2-CB 3.97Å; I262-L295 HydrophobicContact CG2-CD1 3.69Å; I262-L295 HydrophobicContact CG2-CG 3.87Å; I263-L295 PolarHBondContact O-N 3.4Å; N264-L295 PolarHBondContact ND2-O 2.87Å; F272-L295 WeakPolarHBondContact CD1-O 3.31Å; F272-L295 VanDerWaalsContact CE1-O 3.29Å; F272-L295 WeakPolarHBondContact CE1-O 3.28Å; M273-L295 HydrophobicContact SD-CD2 3.46Å; M273-L295 WeakPolarHBondContact SD-CD2 3.31Å; L293-L295 HydrophobicContact CD1-CD2 4.34Å; L293-L295 HydrophobicContact CD2-CD1 4Å; L293-L295 HydrophobicContact CD2-CD2 3.91Å; L293-L295 HydrophobicContact CD2-CG 4.02Å; L293-L295 HydrophobicContact CG-CD1 4.42Å; L293-L295 HydrophobicContact CG-CD2 3.89Å; L293-L295 HydrophobicContact CG-CG 3.93Å; L295-D299 HydrophobicContact CB-CB 4.25Å; L295-D299 HydrophobicContact CD1-CB 4.15Å; L295-L303 HydrophobicContact CD1-CD1 3.74Å; L295-Q421 HydrophobicContact CD1-CG 4.43Å; L295-Q421 HydrophobicContact CD2-CG 4.17Å
296	E	98.6	Very high	97.8	Very high	105 Å²	105	44.2 Å²	44.2	49%	0.491	23%	0.228	S	C	.	.			trans	-65.7	154.2	169	-67.6	-174.1	178.3	0	0	110.9	F272 E298 D299 F300	F272-E296 HydrophobicContact CB-CG 4.49Å; F272-E296 HydrophobicContact CD1-CG 4.38Å; F272-E296 HydrophobicContact CD2-CG 3.36Å; F272-E296 HydrophobicContact CE1-CG 4.5Å; F272-E296 HydrophobicContact CE2-CG 3.52Å; F272-E296 HydrophobicContact CG-CG 3.85Å; F272-E296 HydrophobicContact CZ-CG 4.1Å; E296-E298 PolarHBondContact O-N 3.22Å; E296-D299 PolarHBondContact O-N 3.05Å; E296-F300 WeakPolarHBondContact O-CB 3.31Å; E296-F300 PolarHBondContact O-N 3.26Å
297	M	98.2	Very high	98	Very high	27 Å²	27	36.3 Å²	36.3	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-28.4	-176.7	-80	-52.5	-56.7	0	0	113.2	N264 F300 K301 M403	N264-M297 HydrophobicContact CB-CG 4.41Å; N264-M297 HydrophobicContact CB-SD 3.46Å; N264-M297 WeakPolarHBondContact CB-SD 3.42Å; N264-M297 PolarHBondContact ND2-N 2.9Å; N264-M297 PolarHBondContact OD1-SD 3.16Å; M297-F300 HydrophobicContact CE-CD1 3.79Å; M297-F300 HydrophobicContact CE-CE1 4.25Å; M297-F300 HydrophobicContact CE-CG 4.28Å; M297-F300 HydrophobicContact SD-CB 4.41Å; M297-F300 HydrophobicContact SD-CD1 4.31Å; M297-F300 HydrophobicContact SD-CG 4.26Å; M297-K301 HydrophobicContact CE-CD 4.24Å; M297-K301 HydrophobicContact CE-CG 3.92Å; M297-K301 WeakPolarHBondContact O-CB 3.23Å; M297-K301 VanDerWaalsContact O-CG 3.31Å; M297-K301 WeakPolarHBondContact O-CG 3.35Å; M297-K301 PolarHBondContact O-N 3.17Å; M297-M403 HydrophobicContact CE-CG 4.01Å; M297-M403 WeakPolarHBondContact CE-O 3.36Å
298	E	98	Very high	98.1	Very high	155 Å²	155	34.9 Å²	34.9	72%	0.724	17%	0.171	S	C	*	.	H	α-helix	trans	-61.8	-54.4	175.9	-175.1	177	168.9	0	0	111.1	E296 F300 K301 A302	E296-E298 PolarHBondContact O-N 3.22Å; E298-F300 PolarHBondContact O-N 3.36Å; E298-K301 PolarHBondContact O-N 2.99Å; E298-A302 WeakPolarHBondContact O-CB 3.42Å; E298-A302 PolarHBondContact O-N 3.26Å
299	D	98.4	Very high	98.2	Very high	61 Å²	61	37.6 Å²	37.6	33%	0.326	19%	0.185	S	C	.	.	H	α-helix	trans	-63	-42.4	176.5	-79	-27.5	0	0	0	111.7	L295 E296 K301 A302 L303 Q421	L295-D299 HydrophobicContact CB-CB 4.25Å; L295-D299 HydrophobicContact CD1-CB 4.15Å; E296-D299 PolarHBondContact O-N 3.05Å; D299-K301 PolarHBondContact O-N 2.87Å; D299-A302 PolarHBondContact O-N 2.89Å; D299-L303 VanDerWaalsContact O-CG 3.3Å; D299-L303 WeakPolarHBondContact O-CG 3.31Å; D299-L303 PolarHBondContact O-N 2.92Å; D299-Q421 VanDerWaalsContact CG-NE2 3.33Å; D299-Q421 PolarHBondContact OD2-NE2 3.18Å
300	F	98.7	Very high	98.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54.9	-53.5	177	-174.3	-77.3	0	0	0	111.4	I262 N264 E296 M297 E298 L303 A304 M403 T407 Q409 I410	I262-F300 HydrophobicContact CB-CD2 4.41Å; I262-F300 HydrophobicContact CG2-CD2 3.74Å; I262-F300 HydrophobicContact CG2-CE2 4.33Å; N264-F300 HydrophobicContact CB-CD2 4.04Å; N264-F300 HydrophobicContact CB-CE2 4.3Å; E296-F300 WeakPolarHBondContact O-CB 3.31Å; E296-F300 PolarHBondContact O-N 3.26Å; M297-F300 HydrophobicContact CE-CD1 3.79Å; M297-F300 HydrophobicContact CE-CE1 4.25Å; M297-F300 HydrophobicContact CE-CG 4.28Å; M297-F300 HydrophobicContact SD-CB 4.41Å; M297-F300 HydrophobicContact SD-CD1 4.31Å; M297-F300 HydrophobicContact SD-CG 4.26Å; E298-F300 PolarHBondContact O-N 3.36Å; F300-L303 PolarHBondContact O-N 3.49Å; F300-A304 PolarHBondContact O-N 3.42Å; F300-M403 HydrophobicContact CD1-CE 3.93Å; F300-M403 HydrophobicContact CE1-CE 3.52Å; F300-M403 HydrophobicContact CE1-SD 4.49Å; F300-T407 HydrophobicContact CE1-CG2 3.86Å; F300-T407 HydrophobicContact CZ-CG2 3.8Å; F300-Q409 VanDerWaalsContact CZ-C 3.47Å; F300-I410 HydrophobicContact CD1-CD1 3.83Å; F300-I410 HydrophobicContact CD1-CG1 4.23Å; F300-I410 HydrophobicContact CD1-CG2 4.31Å; F300-I410 HydrophobicContact CD2-CD1 4.23Å; F300-I410 HydrophobicContact CD2-CG1 4.08Å; F300-I410 HydrophobicContact CE1-CB 4.12Å; F300-I410 HydrophobicContact CE1-CD1 3.9Å; F300-I410 HydrophobicContact CE1-CG1 3.88Å; F300-I410 HydrophobicContact CE1-CG2 3.36Å; F300-I410 HydrophobicContact CE2-CB 4.38Å; F300-I410 HydrophobicContact CE2-CD1 4.3Å; F300-I410 HydrophobicContact CE2-CG1 3.72Å; F300-I410 HydrophobicContact CE2-CG2 4.38Å; F300-I410 HydrophobicContact CG-CD1 3.99Å; F300-I410 HydrophobicContact CG-CG1 4.32Å; F300-I410 HydrophobicContact CZ-CB 3.85Å; F300-I410 HydrophobicContact CZ-CD1 4.15Å; F300-I410 HydrophobicContact CZ-CG1 3.63Å; F300-I410 HydrophobicContact CZ-CG2 3.41Å; F300-I410 VanDerWaalsContact CZ-CG2 3.41Å; F300-I410 WeakPolarHBondContact O-CD1 3.43Å
301	K	98.7	Very high	98.1	Very high	30 Å²	30	40.8 Å²	40.8	13%	0.13	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-41.3	179.5	-71.9	-173.4	-65.1	-167.8	0	111.2	M297 E298 D299 L303 A304 V305 W380 D400 M403 D404	M297-K301 HydrophobicContact CE-CD 4.24Å; M297-K301 HydrophobicContact CE-CG 3.92Å; M297-K301 WeakPolarHBondContact O-CB 3.23Å; M297-K301 VanDerWaalsContact O-CG 3.31Å; M297-K301 WeakPolarHBondContact O-CG 3.35Å; M297-K301 PolarHBondContact O-N 3.17Å; E298-K301 PolarHBondContact O-N 2.99Å; D299-K301 PolarHBondContact O-N 2.87Å; K301-L303 VanDerWaalsContact C-N 3.3Å; K301-L303 PolarHBondContact O-N 3.41Å; K301-A304 PolarHBondContact O-N 3.35Å; K301-V305 WeakPolarHBondContact O-CG2 3.43Å; K301-V305 PolarHBondContact O-N 3.12Å; K301-W380 HydrophobicContact CB-CH2 4.27Å; K301-W380 HydrophobicContact CB-CZ2 4.13Å; K301-W380 HydrophobicContact CD-CZ2 4.05Å; K301-W380 HydrophobicContact CG-CH2 4.48Å; K301-W380 HydrophobicContact CG-CZ2 3.99Å; K301-D400 VanDerWaalsContact CD-OD1 3.29Å; K301-D400 WeakPolarHBondContact CD-OD1 3.43Å; K301-D400 IonicContact NZ-OD1 3.04Å; K301-D400 IonicContact NZ-OD2 2.79Å; K301-D400 PolarHBondContact NZ-OD2 2.89Å; K301-M403 HydrophobicContact CD-CG 4.07Å; K301-M403 HydrophobicContact CG-CE 4.24Å; K301-M403 HydrophobicContact CG-CG 4.16Å; K301-D404 WeakPolarHBondContact CE-OD1 3.37Å; K301-D404 VanDerWaalsContact NZ-CG 3.27Å; K301-D404 IonicContact NZ-OD1 3.53Å; K301-D404 PolarHBondContact NZ-OD1 2.85Å; K301-D404 IonicContact NZ-OD2 3.23Å; K301-D404 PolarHBondContact NZ-OD2 3.39Å
302	A	98.2	Very high	98	Very high	44 Å²	44	41.1 Å²	41.1	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-59.3	-39.7	178.2	0	0	0	0	0	112.5	E298 D299 V305 K306	E298-A302 WeakPolarHBondContact O-CB 3.42Å; E298-A302 PolarHBondContact O-N 3.26Å; D299-A302 PolarHBondContact O-N 2.89Å; A302-V305 PolarHBondContact O-N 3.47Å; A302-K306 VanDerWaalsContact O-CG 3.31Å; A302-K306 WeakPolarHBondContact O-CG 3.33Å; A302-K306 PolarHBondContact O-N 2.99Å
303	L	98.7	Very high	98	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-42.2	175.5	-68.2	171.1	0	0	0	112.2	I262 L295 D299 F300 K301 K306 Q307 I410 V412 F416 L417	I262-L303 HydrophobicContact CD1-CD1 4.28Å; I262-L303 HydrophobicContact CG1-CD1 4Å; L295-L303 HydrophobicContact CD1-CD1 3.74Å; D299-L303 VanDerWaalsContact O-CG 3.3Å; D299-L303 WeakPolarHBondContact O-CG 3.31Å; D299-L303 PolarHBondContact O-N 2.92Å; F300-L303 PolarHBondContact O-N 3.49Å; K301-L303 VanDerWaalsContact C-N 3.3Å; K301-L303 PolarHBondContact O-N 3.41Å; L303-K306 PolarHBondContact O-N 2.63Å; L303-Q307 PolarHBondContact O-N 2.89Å; L303-I410 HydrophobicContact CB-CD1 4.3Å; L303-V412 HydrophobicContact CB-CG1 4.23Å; L303-V412 HydrophobicContact CB-CG2 4.25Å; L303-V412 HydrophobicContact CD1-CG2 4.38Å; L303-F416 HydrophobicContact CD2-CB 3.69Å; L303-F416 VanDerWaalsContact CD2-O 3.32Å; L303-F416 WeakPolarHBondContact CD2-O 3.29Å; L303-L417 HydrophobicContact CD1-CD1 4.26Å; L303-L417 HydrophobicContact CD2-CD1 4.14Å
304	A	98.7	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-44.3	175.6	0	0	0	0	0	112	F300 K301 Q307 L308 V314 L367 W380 I410	F300-A304 PolarHBondContact O-N 3.42Å; K301-A304 PolarHBondContact O-N 3.35Å; A304-Q307 PolarHBondContact O-N 3.07Å; A304-L308 WeakPolarHBondContact O-CG 3.25Å; A304-L308 PolarHBondContact O-N 3.01Å; A304-L308 VanDerWaalsContact O-N 3.09Å; A304-V314 HydrophobicContact CB-CG1 4.49Å; A304-V314 HydrophobicContact CB-CG2 4.44Å; A304-L367 HydrophobicContact CB-CD1 4.22Å; A304-W380 HydrophobicContact CB-CH2 4.23Å; A304-W380 HydrophobicContact CB-CZ3 4.08Å; A304-I410 HydrophobicContact CB-CD1 4.01Å
305	V	98.6	Very high	98	Very high	19 Å²	19	41.4 Å²	41.4	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-48.8	175.8	174.3	0	0	0	0	110.9	K301 A302 Q307 L308 E309 V370 L372 W380	K301-V305 WeakPolarHBondContact O-CG2 3.43Å; K301-V305 PolarHBondContact O-N 3.12Å; A302-V305 PolarHBondContact O-N 3.47Å; V305-Q307 VanDerWaalsContact C-N 3.26Å; V305-Q307 PolarHBondContact O-N 3.34Å; V305-L308 PolarHBondContact O-N 3.16Å; V305-L308 VanDerWaalsContact O-N 3.12Å; V305-E309 HydrophobicContact CG1-CG 4.08Å; V305-E309 WeakPolarHBondContact O-CG 3.37Å; V305-E309 PolarHBondContact O-N 3.08Å; V305-V370 HydrophobicContact CG2-CG2 4.48Å; V305-L372 HydrophobicContact CG1-CD1 4.01Å; V305-L372 HydrophobicContact CG1-CD2 4.25Å; V305-L372 HydrophobicContact CG2-CD2 4.22Å; V305-W380 HydrophobicContact CG2-CH2 3.59Å; V305-W380 HydrophobicContact CG2-CZ3 4.03Å
306	K	98.1	Very high	98	Very high	84 Å²	84	41.4 Å²	41.4	37%	0.365	22%	0.217	S	C	.	.	H	α-helix	trans	-54	-42.9	178.8	-78.1	173.8	-179.4	174.6	0	112.2	A302 L303 E309 Q310 F416	A302-K306 VanDerWaalsContact O-CG 3.31Å; A302-K306 WeakPolarHBondContact O-CG 3.33Å; A302-K306 PolarHBondContact O-N 2.99Å; L303-K306 PolarHBondContact O-N 2.63Å; K306-E309 PolarHBondContact O-N 3.22Å; K306-Q310 WeakPolarHBondContact O-CG 3.46Å; K306-Q310 PolarHBondContact O-N 2.86Å; K306-F416 HydrophobicContact CB-CD1 4.21Å; K306-F416 HydrophobicContact CB-CG 4.23Å; K306-F416 HydrophobicContact CD-CB 4.21Å; K306-F416 PolarHBondContact NZ-O 2.95Å
307	Q	98.3	Very high	98	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-68.1	-43.3	178.7	-173.1	159.4	-67	0	0	112.3	L303 A304 V305 E309 Q310 E312 S313 V314 V411 F416	L303-Q307 PolarHBondContact O-N 2.89Å; A304-Q307 PolarHBondContact O-N 3.07Å; V305-Q307 VanDerWaalsContact C-N 3.26Å; V305-Q307 PolarHBondContact O-N 3.34Å; Q307-E309 VanDerWaalsContact C-N 3.31Å; Q307-E309 PolarHBondContact O-N 3.23Å; Q307-Q310 WeakPolarHBondContact O-CB 3.33Å; Q307-Q310 PolarHBondContact O-N 3.33Å; Q307-Q310 VanDerWaalsContact O-N 3.07Å; Q307-E312 CarbonylContact C-O 3.48Å; Q307-E312 HydrophobicContact CG-CB 3.84Å; Q307-E312 HydrophobicContact CG-CG 3.94Å; Q307-E312 PolarHBondContact O-N 3.15Å; Q307-S313 PolarHBondContact NE2-O 3.37Å; Q307-S313 VanDerWaalsContact NE2-O 3.13Å; Q307-V314 HydrophobicContact CB-CG2 3.96Å; Q307-V314 HydrophobicContact CG-CG2 4.09Å; Q307-V411 PolarHBondContact NE2-O 3.34Å; Q307-F416 HydrophobicContact CB-CD2 4.19Å; Q307-F416 HydrophobicContact CB-CE2 3.58Å; Q307-F416 HydrophobicContact CB-CZ 4.4Å; Q307-F416 HydrophobicContact CG-CE2 3.94Å
308	L	98.1	Very high	98	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-38.8	175.6	-70.2	170.7	0	0	0	112	I53 L55 A304 V305 Q310 G311 E312 V314 L367 V370 W380	I53-L308 HydrophobicContact CG2-CB 4.35Å; L55-L308 HydrophobicContact CD1-CD2 3.86Å; L55-L308 HydrophobicContact CG-CD2 4.49Å; A304-L308 WeakPolarHBondContact O-CG 3.25Å; A304-L308 PolarHBondContact O-N 3.01Å; A304-L308 VanDerWaalsContact O-N 3.09Å; V305-L308 PolarHBondContact O-N 3.16Å; V305-L308 VanDerWaalsContact O-N 3.12Å; L308-Q310 PolarHBondContact O-N 2.9Å; L308-G311 PolarHBondContact O-N 2.89Å; L308-E312 WeakPolarHBondContact CA-O 3.36Å; L308-V314 HydrophobicContact CD2-CG2 4.28Å; L308-V314 HydrophobicContact CG-CG2 4.05Å; L308-L367 HydrophobicContact CD1-CB 4.42Å; L308-V370 HydrophobicContact CD1-CB 4.02Å; L308-V370 HydrophobicContact CD1-CG1 3.88Å; L308-W380 HydrophobicContact CD1-CE3 4.18Å; L308-W380 HydrophobicContact CD1-CZ3 3.98Å
309	E	97.1	Very high	98	Very high	111 Å²	111	28.3 Å²	28.3	52%	0.519	16%	0.156	S	C	.	.	H	α-helix	trans	-61.9	-27	174.4	-74.4	178.8	149	0	0	112.8	I53 V305 K306 Q307 G311	I53-E309 HydrophobicContact CD1-CG 3.55Å; V305-E309 HydrophobicContact CG1-CG 4.08Å; V305-E309 WeakPolarHBondContact O-CG 3.37Å; V305-E309 PolarHBondContact O-N 3.08Å; K306-E309 PolarHBondContact O-N 3.22Å; Q307-E309 VanDerWaalsContact C-N 3.31Å; Q307-E309 PolarHBondContact O-N 3.23Å; E309-G311 PolarHBondContact O-N 3.38Å
310	Q	96.1	Very high	98	Very high	124 Å²	124	26.1 Å²	26.1	58%	0.579	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	5.5	172.4	-62.3	-48.4	-60.6	0	0	113.7	K306 Q307 L308 F416	K306-Q310 WeakPolarHBondContact O-CG 3.46Å; K306-Q310 PolarHBondContact O-N 2.86Å; Q307-Q310 WeakPolarHBondContact O-CB 3.33Å; Q307-Q310 PolarHBondContact O-N 3.33Å; Q307-Q310 VanDerWaalsContact O-N 3.07Å; L308-Q310 PolarHBondContact O-N 2.9Å; Q310-F416 HydrophobicContact CB-CZ 4.41Å; Q310-F416 HydrophobicContact CG-CE1 3.95Å; Q310-F416 HydrophobicContact CG-CZ 3.67Å
311	G	95	Very high	97.8	Very high	52 Å²	52	27.8 Å²	27.8	54%	0.536	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	15.2	179.9	0	0	0	0	0	114	L308 E309	L308-G311 PolarHBondContact O-N 2.89Å; E309-G311 PolarHBondContact O-N 3.38Å
312	E	96	Very high	97.7	Very high	43 Å²	43	28.2 Å²	28.2	20%	0.201	16%	0.164	C	C	.	.			trans	-115	131.7	-175.1	-177.7	176.7	-158.2	0	0	111.8	L55 Y259 Q307 L308 R413	L55-E312 VanDerWaalsContact CD1-C 3.49Å; Y259-E312 VanDerWaalsContact CE1-OE1 3.28Å; Y259-E312 WeakPolarHBondContact CE1-OE1 3.49Å; Y259-E312 PolarHBondContact OH-OE1 3.46Å; Q307-E312 CarbonylContact C-O 3.48Å; Q307-E312 HydrophobicContact CG-CB 3.84Å; Q307-E312 HydrophobicContact CG-CG 3.94Å; Q307-E312 PolarHBondContact O-N 3.15Å; L308-E312 WeakPolarHBondContact CA-O 3.36Å; E312-R413 IonicContact OE2-CZ 2.65Å; E312-R413 IonicContact OE2-NE 3.32Å; E312-R413 PolarHBondContact OE2-NE 2.79Å; E312-R413 IonicContact OE2-NH2 2.71Å; E312-R413 PolarHBondContact OE2-NH2 3.35Å
313	S	97.8	Very high	97.6	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.035	16%	0.156	C	C	.	.			trans	-74	155.3	179	60.4	0	0	0	0	112.7	H80 Q307 V366 L367	H80-S313 PolarHBondContact ND1-OG 2.7Å; Q307-S313 PolarHBondContact NE2-O 3.37Å; Q307-S313 VanDerWaalsContact NE2-O 3.13Å; S313-V366 VanDerWaalsContact CB-CG1 3.47Å; S313-L367 CarbonylContact C-O 3.46Å; S313-L367 VanDerWaalsContact CA-O 3.3Å; S313-L367 WeakPolarHBondContact CA-O 3.4Å; S313-L367 VanDerWaalsContact CB-O 3.32Å; S313-L367 WeakPolarHBondContact CB-O 3.42Å
314	V	98.6	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.4	-174.7	-175.5	0	0	0	0	110	A304 Q307 L308 V366 L367 I410 V412	A304-V314 HydrophobicContact CB-CG1 4.49Å; A304-V314 HydrophobicContact CB-CG2 4.44Å; Q307-V314 HydrophobicContact CB-CG2 3.96Å; Q307-V314 HydrophobicContact CG-CG2 4.09Å; L308-V314 HydrophobicContact CD2-CG2 4.28Å; L308-V314 HydrophobicContact CG-CG2 4.05Å; V314-V366 CarbonylContact O-C 3.22Å; V314-V366 WeakPolarHBondContact O-CA 3.37Å; V314-L367 HydrophobicContact CB-CB 4.06Å; V314-L367 HydrophobicContact CB-CD1 4.19Å; V314-L367 HydrophobicContact CB-CG 4.33Å; V314-L367 HydrophobicContact CG1-CD1 4.36Å; V314-L367 PolarHBondContact N-O 3.42Å; V314-L367 PolarHBondContact O-N 3.33Å; V314-I410 HydrophobicContact CG1-CB 3.84Å; V314-I410 HydrophobicContact CG1-CG2 3.9Å; V314-V412 HydrophobicContact CG1-CG1 4.28Å
315	W	98.6	Very high	97.4	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.8	167.5	-178.2	108.2	0	0	0	108.5	W70 A73 T77 W141 M361 A364 Q409 I410 V411	W70-W315 HydrophobicContact CB-CZ2 4.09Å; W70-W315 PolarHBondContact O-NE1 2.85Å; A73-W315 HydrophobicContact CB-CG 4.34Å; T77-W315 HydrophobicContact CG2-CB 4.32Å; W141-W315 HydrophobicContact CE3-CB 4.31Å; W141-W315 HydrophobicContact CE3-CD2 4.39Å; W141-W315 HydrophobicContact CE3-CG 4.07Å; W141-W315 HydrophobicContact CZ3-CB 4.17Å; W141-W315 HydrophobicContact CZ3-CG 4.26Å; W315-M361 HydrophobicContact CH2-SD 4.28Å; W315-A364 HydrophobicContact CH2-CB 4.01Å; W315-A364 HydrophobicContact CZ2-CB 3.32Å; W315-Q409 HydrophobicContact CZ3-CB 4.17Å; W315-Q409 VanDerWaalsContact CZ3-CD 3.42Å; W315-Q409 HydrophobicContact CZ3-CG 3.78Å; W315-I410 CarbonylContact O-C 3.52Å; W315-I410 WeakPolarHBondContact O-CA 3.23Å; W315-V411 HydrophobicContact CB-CB 4.15Å; W315-V411 HydrophobicContact CB-CG2 4.32Å; W315-V411 HydrophobicContact CD2-CG2 4.14Å; W315-V411 HydrophobicContact CE3-CB 4.47Å; W315-V411 HydrophobicContact CE3-CG2 3.57Å; W315-V411 HydrophobicContact CG-CG2 4.47Å; W315-V411 HydrophobicContact CZ3-CG2 4.28Å; W315-V411 PolarHBondContact O-N 3.14Å
316	F	98.7	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.6	176.9	82.6	-79.2	0	0	0	112.5	C318 A364 M365 L367 V382 M398 T407 Q409 I410	F316-C318 HydrophobicContact CD2-CB 4.15Å; F316-C318 HydrophobicContact CE2-CB 3.9Å; F316-A364 CarbonylContact O-C 3.31Å; F316-A364 VanDerWaalsContact O-CA 3.24Å; F316-A364 WeakPolarHBondContact O-CA 3.15Å; F316-M365 VanDerWaalsContact CD1-C 3.49Å; F316-M365 HydrophobicContact CD1-CB 4.12Å; F316-M365 WeakPolarHBondContact CD1-O 3.42Å; F316-M365 HydrophobicContact CE1-CB 3.4Å; F316-M365 VanDerWaalsContact CE1-CB 3.4Å; F316-M365 HydrophobicContact CE2-CE 4.16Å; F316-M365 HydrophobicContact CZ-CB 3.73Å; F316-M365 HydrophobicContact CZ-CE 3.68Å; F316-M365 PolarHBondContact N-O 2.96Å; F316-M365 PolarHBondContact O-N 2.9Å; F316-L367 HydrophobicContact CB-CG 4.45Å; F316-L367 HydrophobicContact CD1-CD2 3.57Å; F316-L367 HydrophobicContact CD1-CG 3.61Å; F316-L367 HydrophobicContact CE1-CD2 3.41Å; F316-L367 VanDerWaalsContact CE1-CD2 3.41Å; F316-L367 HydrophobicContact CE1-CG 3.96Å; F316-L367 HydrophobicContact CE2-CD2 4.4Å; F316-L367 HydrophobicContact CG-CD2 4.11Å; F316-L367 HydrophobicContact CG-CG 4.11Å; F316-L367 HydrophobicContact CZ-CD2 3.85Å; F316-V382 HydrophobicContact CE1-CG1 3.84Å; F316-V382 HydrophobicContact CE1-CG2 4.18Å; F316-V382 HydrophobicContact CZ-CB 4.44Å; F316-V382 HydrophobicContact CZ-CG1 3.72Å; F316-V382 HydrophobicContact CZ-CG2 3.85Å; F316-M398 HydrophobicContact CE2-CE 4.35Å; F316-M398 HydrophobicContact CE2-SD 4.27Å; F316-M398 HydrophobicContact CZ-CE 4.47Å; F316-T407 HydrophobicContact CD2-CG2 3.92Å; F316-Q409 CarbonylContact C-O 3.56Å; F316-Q409 WeakPolarHBondContact CA-O 3.38Å; F316-Q409 VanDerWaalsContact CB-O 3.25Å; F316-Q409 WeakPolarHBondContact CB-O 3.25Å; F316-I410 HydrophobicContact CB-CG2 3.78Å
317	G	98.6	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.3	178.6	0	0	0	0	0	111.7	M361 Y408 Q409	G317-M361 VanDerWaalsContact CA-SD 3.52Å; G317-Y408 PolarHBondContact O-N 2.98Å; G317-Q409 PolarHBondContact N-O 3.17Å; G317-Q409 PolarHBondContact O-N 3.04Å; G317-Q409 VanDerWaalsContact O-N 3.13Å
318	C	98.7	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	172.6	-173.2	67	0	0	0	0	112.4	F316 T362 H363 M365 W402 Y406	F316-C318 HydrophobicContact CD2-CB 4.15Å; F316-C318 HydrophobicContact CE2-CB 3.9Å; C318-T362 PolarHBondContact O-N 3.19Å; C318-H363 PolarHBondContact N-O 2.92Å; C318-H363 PolarHBondContact O-N 3.44Å; C318-H363 VanDerWaalsContact O-N 3.09Å; C318-M365 VanDerWaalsContact SG-CE 3.52Å; C318-W402 HydrophobicContact CB-CH2 3.73Å; C318-W402 HydrophobicContact CB-CZ3 3.8Å; C318-Y406 CarbonylContact C-O 2.99Å; C318-Y406 WeakPolarHBondContact CA-O 3.4Å; C318-Y406 WeakPolarHBondContact CB-O 3.49Å
319	D	98.4	Very high	96.8	Very high	13 Å²	13	38 Å²	38	7%	0.07	21%	0.21	C	C	.	.			trans	-92.7	83.5	163.1	-164.4	-8.6	0	0	0	111.1	G321 Q322 S359 L360 T362 W402 Y406 Y408	D319-G321 PolarHBondContact O-N 2.87Å; D319-G321 PolarHBondContact OD1-N 2.82Å; D319-Q322 HydrophobicContact CB-CG 3.89Å; D319-Q322 VanDerWaalsContact CG-CG 3.45Å; D319-Q322 PolarHBondContact O-N 3.4Å; D319-Q322 VanDerWaalsContact OD2-CG 3.23Å; D319-Q322 WeakPolarHBondContact OD2-CG 3.4Å; D319-Q322 PolarHBondContact OD2-NE2 3.12Å; D319-S359 PolarHBondContact OD2-OG 2.96Å; D319-S359 VanDerWaalsContact OD2-OG 3.14Å; D319-L360 VanDerWaalsContact CB-O 3.26Å; D319-L360 WeakPolarHBondContact CB-O 3.42Å; D319-T362 WeakPolarHBondContact CA-OG1 3.47Å; D319-T362 WeakPolarHBondContact OD1-CG2 3.34Å; D319-T362 PolarHBondContact OD1-OG1 3.32Å; D319-W402 WeakPolarHBondContact O-CH2 3.5Å; D319-W402 VanDerWaalsContact O-CZ2 3.26Å; D319-W402 WeakPolarHBondContact O-CZ2 3.29Å; D319-Y406 HydrophobicContact CB-CD1 4.5Å; D319-Y406 PolarHBondContact N-O 3.43Å; D319-Y408 HydrophobicContact CB-CE2 4.06Å
320	V	97.7	Very high	96.8	Very high	14 Å²	14	33 Å²	33	9%	0.085	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.3	-175.3	74.7	0	0	0	0	113.5	Q322 S324 M331 T362 H363 M365 W386	V320-Q322 VanDerWaalsContact C-N 3.29Å; V320-S324 WeakPolarHBondContact O-CB 3.42Å; V320-S324 PolarHBondContact O-OG 3.21Å; V320-M331 HydrophobicContact CG2-CE 4.43Å; V320-T362 PolarHBondContact N-OG1 2.91Å; V320-H363 HydrophobicContact CB-CB 3.87Å; V320-H363 HydrophobicContact CG1-CB 3.37Å; V320-M365 HydrophobicContact CB-CE 4.28Å; V320-M365 HydrophobicContact CG2-CE 3.75Å; V320-M365 HydrophobicContact CG2-SD 4.38Å; V320-W386 HydrophobicContact CG1-CH2 3.95Å; V320-W386 HydrophobicContact CG1-CZ2 4.19Å; V320-W386 HydrophobicContact CG2-CH2 3.93Å
321	G	95.7	Very high	96.9	Very high	35 Å²	35	27.1 Å²	27.1	36%	0.361	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-19	-179.5	0	0	0	0	0	114	R35 D319	R35-G321 PolarHBondContact NH2-O 3.12Å; D319-G321 PolarHBondContact O-N 2.87Å; D319-G321 PolarHBondContact OD1-N 2.82Å
322	Q	97.1	Very high	97.1	Very high	39 Å²	39	24.6 Å²	24.6	18%	0.182	13%	0.134	C	C	.	.	S	Bend	trans	-88.9	132	-172.9	-60.8	-68.3	-3.1	0	0	111.2	D319 V320 S324 E358 W402 Y406	D319-Q322 HydrophobicContact CB-CG 3.89Å; D319-Q322 VanDerWaalsContact CG-CG 3.45Å; D319-Q322 PolarHBondContact O-N 3.4Å; D319-Q322 VanDerWaalsContact OD2-CG 3.23Å; D319-Q322 WeakPolarHBondContact OD2-CG 3.4Å; D319-Q322 PolarHBondContact OD2-NE2 3.12Å; V320-Q322 VanDerWaalsContact C-N 3.29Å; Q322-S324 WeakPolarHBondContact O-CB 3.31Å; Q322-S324 PolarHBondContact O-N 2.84Å; Q322-E358 PolarHBondContact NE2-O 2.86Å; Q322-W402 WeakPolarHBondContact O-CZ2 3.24Å; Q322-W402 PolarHBondContact O-NE1 2.87Å; Q322-Y406 HydrophobicContact CB-CD1 3.49Å; Q322-Y406 VanDerWaalsContact CB-CD1 3.49Å; Q322-Y406 HydrophobicContact CB-CD2 3.86Å; Q322-Y406 HydrophobicContact CB-CE1 3.46Å; Q322-Y406 VanDerWaalsContact CB-CE1 3.46Å; Q322-Y406 HydrophobicContact CB-CE2 3.83Å; Q322-Y406 HydrophobicContact CB-CG 3.7Å; Q322-Y406 HydrophobicContact CG-CD1 3.59Å; Q322-Y406 HydrophobicContact CG-CE1 3.51Å; Q322-Y406 HydrophobicContact CG-CG 4.28Å
323	S	95.9	Very high	97.1	Very high	28 Å²	28	25.8 Å²	25.8	20%	0.196	14%	0.141	C	C	.	.	S	Bend	trans	33	52.9	-179.8	-54.7	0	0	0	0	114.5	A332 L333 A335 W402	S323-A332 WeakPolarHBondContact CB-O 3.44Å; S323-A332 PolarHBondContact O-N 2.81Å; S323-A332 VanDerWaalsContact O-N 3.16Å; S323-L333 PolarHBondContact OG-O 3.16Å; S323-A335 WeakPolarHBondContact O-CB 3.41Å; S323-W402 PolarHBondContact O-NE1 3.21Å
324	S	96.9	Very high	96.9	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.063	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.6	-173.5	173.5	0	0	0	0	111.7	V320 Q322 I330 Y336	V320-S324 WeakPolarHBondContact O-CB 3.42Å; V320-S324 PolarHBondContact O-OG 3.21Å; Q322-S324 WeakPolarHBondContact O-CB 3.31Å; Q322-S324 PolarHBondContact O-N 2.84Å; S324-I330 CarbonylContact C-O 3.6Å; S324-I330 VanDerWaalsContact CA-O 3.28Å; S324-I330 WeakPolarHBondContact CA-O 3.46Å; S324-Y336 WeakPolarHBondContact O-CE2 3.22Å; S324-Y336 PolarHBondContact O-OH 3.41Å
325	T	96.1	Very high	96.8	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	121.7	174.7	63.9	0	0	0	0	109.9	E39 S328 G329 I330 A335 Y336	E39-T325 HydrophobicContact CG-CG2 4.32Å; T325-S328 VanDerWaalsContact CB-OG 3.32Å; T325-S328 WeakPolarHBondContact CB-OG 3.28Å; T325-S328 PolarHBondContact OG1-OG 3.38Å; T325-G329 VanDerWaalsContact O-CA 3.28Å; T325-G329 WeakPolarHBondContact O-CA 3.44Å; T325-G329 PolarHBondContact O-N 3.5Å; T325-G329 PolarHBondContact OG1-N 3.47Å; T325-I330 PolarHBondContact N-O 3.05Å; T325-I330 PolarHBondContact O-N 2.89Å; T325-I330 WeakPolarHBondContact OG1-CB 3.46Å; T325-I330 PolarHBondContact OG1-N 2.98Å; T325-I330 PolarHBondContact OG1-O 3.2Å; T325-A335 HydrophobicContact CG2-CB 4.39Å; T325-Y336 HydrophobicContact CG2-CE1 4.32Å
326	R	93.2	Very high	96.7	Very high	144 Å²	144	29.2 Å²	29.2	54%	0.543	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-43.5	-179.6	-176.2	178.2	-179.6	126	5.8	112.1	W386 V390	R326-W386 HydrophobicContact CG-CE3 4.34Å; R326-W386 HydrophobicContact CG-CZ3 4.22Å; R326-V390 HydrophobicContact CG-CG1 4.08Å; R326-V390 WeakPolarHBondContact O-CB 3.37Å
327	D	93.5	Very high	96.5	Very high	132 Å²	132	32.3 Å²	32.3	71%	0.706	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-44.5	-169.7	-67.8	-17.8	0	0	0	111.8	G391	D327-G391 PolarHBondContact O-N 2.73Å
328	S	95.1	Very high	96.4	Very high	42 Å²	42	34 Å²	34	29%	0.294	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.6	176	58.9	0	0	0	0	114.3	H44 T325	H44-S328 VanDerWaalsContact CE1-CB 3.4Å; H44-S328 WeakPolarHBondContact CE1-CB 3.21Å; H44-S328 PolarHBondContact CE1-OG 3.5Å; T325-S328 VanDerWaalsContact CB-OG 3.32Å; T325-S328 WeakPolarHBondContact CB-OG 3.28Å; T325-S328 PolarHBondContact OG1-OG 3.38Å
329	G	97.3	Very high	96.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	38.3	174	0	0	0	0	0	113.9	T325 F396 V397	T325-G329 VanDerWaalsContact O-CA 3.28Å; T325-G329 WeakPolarHBondContact O-CA 3.44Å; T325-G329 PolarHBondContact O-N 3.5Å; T325-G329 PolarHBondContact OG1-N 3.47Å; G329-F396 VanDerWaalsContact CA-CD2 3.47Å; G329-F396 CarbonylContact O-C 3.55Å; G329-F396 WeakPolarHBondContact O-CA 3.34Å; G329-F396 WeakPolarHBondContact O-CB 3.48Å; G329-V397 PolarHBondContact O-N 2.75Å
330	I	98	Very high	95.9	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.1	179.5	-60.1	169.1	0	0	0	109.2	T43 H44 N47 S324 T325 A332	T43-I330 HydrophobicContact CG2-CD1 4.27Å; T43-I330 HydrophobicContact CG2-CG2 4.22Å; H44-I330 HydrophobicContact CB-CD1 3.9Å; H44-I330 VanDerWaalsContact ND1-CD1 3.34Å; H44-I330 WeakPolarHBondContact ND1-CD1 3.29Å; N47-I330 HydrophobicContact CB-CG2 3.98Å; S324-I330 CarbonylContact C-O 3.6Å; S324-I330 VanDerWaalsContact CA-O 3.28Å; S324-I330 WeakPolarHBondContact CA-O 3.46Å; T325-I330 PolarHBondContact N-O 3.05Å; T325-I330 PolarHBondContact O-N 2.89Å; T325-I330 WeakPolarHBondContact OG1-CB 3.46Å; T325-I330 PolarHBondContact OG1-N 2.98Å; T325-I330 PolarHBondContact OG1-O 3.2Å; I330-A332 HydrophobicContact CG2-CB 3.9Å
331	M	98.4	Very high	95.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	94.1	175	-56.6	167.3	62.7	0	0	107.8	V320 M365 V382 F396 V397 M398 S399 W402	V320-M331 HydrophobicContact CG2-CE 4.43Å; M331-M365 HydrophobicContact CE-CE 3.78Å; M331-M365 HydrophobicContact SD-CE 3.99Å; M331-V382 HydrophobicContact SD-CG2 4.44Å; M331-F396 HydrophobicContact CG-CD2 3.99Å; M331-F396 HydrophobicContact SD-CB 4.13Å; M331-F396 HydrophobicContact SD-CD2 3.98Å; M331-V397 PolarHBondContact N-O 3.39Å; M331-M398 HydrophobicContact CB-CB 3.95Å; M331-M398 HydrophobicContact CB-CG 4.04Å; M331-M398 HydrophobicContact CE-CG 4.37Å; M331-M398 HydrophobicContact CE-SD 3.9Å; M331-M398 CarbonylContact O-C 3.59Å; M331-M398 WeakPolarHBondContact O-CA 3.44Å; M331-M398 HydrophobicContact SD-CB 4.24Å; M331-S399 PolarHBondContact O-N 2.78Å; M331-S399 PolarHBondContact O-OG 3.23Å; M331-W402 VanDerWaalsContact C-CD1 3.43Å; M331-W402 HydrophobicContact CB-CD2 3.89Å; M331-W402 HydrophobicContact CB-CE3 4.41Å; M331-W402 HydrophobicContact CB-CG 4.07Å; M331-W402 HydrophobicContact CB-CZ2 4.46Å; M331-W402 HydrophobicContact CE-CD2 4.12Å; M331-W402 HydrophobicContact CE-CE3 3.74Å; M331-W402 HydrophobicContact CE-CH2 3.11Å; M331-W402 HydrophobicContact CE-CZ2 3.5Å; M331-W402 HydrophobicContact CE-CZ3 3.24Å; M331-W402 WeakPolarHBondContact O-CB 3.22Å
332	A	98	Very high	95.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.			trans	-145.3	141.4	-174.4	0	0	0	0	0	110.3	T43 S323 I330 D334 A335 S399 W402	T43-A332 WeakPolarHBondContact OG1-CB 3.48Å; S323-A332 WeakPolarHBondContact CB-O 3.44Å; S323-A332 PolarHBondContact O-N 2.81Å; S323-A332 VanDerWaalsContact O-N 3.16Å; I330-A332 HydrophobicContact CG2-CB 3.9Å; A332-D334 VanDerWaalsContact CB-OD1 3.28Å; A332-D334 WeakPolarHBondContact CB-OD1 3.46Å; A332-D334 PolarHBondContact O-N 2.95Å; A332-D334 VanDerWaalsContact O-N 3.16Å; A332-A335 WeakPolarHBondContact O-CB 3.32Å; A332-A335 PolarHBondContact O-N 2.79Å; A332-S399 WeakPolarHBondContact CA-OG 3.13Å; A332-W402 VanDerWaalsContact N-CD1 3.31Å
333	L	96.2	Very high	95.6	Very high	67 Å²	67	47.4 Å²	47.4	35%	0.351	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.3	-176.5	-62	-173.7	0	0	0	112.2	S323 A335 E401 W402 E405 Y406	S323-L333 PolarHBondContact OG-O 3.16Å; L333-A335 VanDerWaalsContact C-N 3.35Å; L333-E401 HydrophobicContact CD1-CB 3.79Å; L333-E401 HydrophobicContact CG-CB 4.17Å; L333-W402 HydrophobicContact CD2-CB 4.4Å; L333-E405 HydrophobicContact CD1-CG 3.9Å; L333-E405 HydrophobicContact CD2-CB 3.88Å; L333-E405 HydrophobicContact CD2-CG 3.86Å; L333-Y406 HydrophobicContact CD2-CD2 3.97Å; L333-Y406 HydrophobicContact CD2-CE2 3.58Å
334	D	94.8	Very high	95.6	Very high	49 Å²	49	49.2 Å²	49.2	26%	0.262	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	10.2	178.9	76.5	-29.6	0	0	0	113.7	N40 T43 A332 Y336	N40-D334 WeakPolarHBondContact CB-O 3.46Å; N40-D334 PolarHBondContact ND2-O 2.82Å; N40-D334 PolarHBondContact ND2-OD2 3.23Å; T43-D334 WeakPolarHBondContact CB-OD1 3.45Å; T43-D334 PolarHBondContact OG1-OD1 2.8Å; A332-D334 VanDerWaalsContact CB-OD1 3.28Å; A332-D334 WeakPolarHBondContact CB-OD1 3.46Å; A332-D334 PolarHBondContact O-N 2.95Å; A332-D334 VanDerWaalsContact O-N 3.16Å; D334-Y336 PolarHBondContact O-N 2.6Å; D334-Y336 VanDerWaalsContact O-N 3.12Å
335	A	96.6	Very high	95.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-58.1	-29.2	-179.8	0	0	0	0	0	112.5	E39 N40 S323 T325 A332 L333	E39-A335 WeakPolarHBondContact CA-O 3.4Å; N40-A335 PolarHBondContact N-O 3.32Å; N40-A335 VanDerWaalsContact N-O 3.12Å; S323-A335 WeakPolarHBondContact O-CB 3.41Å; T325-A335 HydrophobicContact CG2-CB 4.39Å; A332-A335 WeakPolarHBondContact O-CB 3.32Å; A332-A335 PolarHBondContact O-N 2.79Å; L333-A335 VanDerWaalsContact C-N 3.35Å
336	Y	96.3	Very high	95.5	Very high	31 Å²	31	59.7 Å²	59.7	12%	0.122	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-135.9	124.8	173.2	-52.9	-76.4	0	0	0	111.9	R35 A38 E39 S324 T325 D334 V338	R35-Y336 HydrophobicContact CB-CD1 4.02Å; R35-Y336 HydrophobicContact CB-CE1 3.56Å; R35-Y336 HydrophobicContact CG-CD1 4.21Å; R35-Y336 HydrophobicContact CG-CE1 3.88Å; R35-Y336 HydrophobicContact CG-CE2 4.36Å; R35-Y336 WeakPolarHBondContact O-CD1 3.3Å; A38-Y336 CarbonylContact O-C 3.57Å; A38-Y336 VanDerWaalsContact O-CA 3.3Å; A38-Y336 WeakPolarHBondContact O-CA 3.24Å; E39-Y336 HydrophobicContact CB-CD1 4.08Å; E39-Y336 HydrophobicContact CB-CE1 4.15Å; E39-Y336 HydrophobicContact CG-CE1 4.39Å; S324-Y336 WeakPolarHBondContact O-CE2 3.22Å; S324-Y336 PolarHBondContact O-OH 3.41Å; T325-Y336 HydrophobicContact CG2-CE1 4.32Å; D334-Y336 PolarHBondContact O-N 2.6Å; D334-Y336 VanDerWaalsContact O-N 3.12Å; Y336-V338 PolarHBondContact O-N 2.9Å
337	D	94.5	Very high	95.7	Very high	64 Å²	64	57.9 Å²	57.9	34%	0.342	31%	0.311	S	S	.	.			trans	-83.6	57.8	175.9	-61.9	-36.2	0	0	0	111.3	A38 D340 L341	A38-D337 PolarHBondContact O-N 3.3Å; D337-D340 HydrophobicContact CB-CB 4.29Å; D337-L341 WeakPolarHBondContact O-CB 3.43Å; D337-L341 PolarHBondContact O-N 2.93Å
338	V	95.2	Very high	95.9	Very high	36 Å²	36	54.6 Å²	54.6	22%	0.218	29%	0.292	C	S	.	.	H	α-helix	trans	-69.1	-35.1	-173.9	179.7	0	0	0	0	112.2	I34 A38 Y336 L341 F342 L346	I34-V338 HydrophobicContact CG2-CG2 4.49Å; A38-V338 HydrophobicContact CB-CG2 4.06Å; Y336-V338 PolarHBondContact O-N 2.9Å; V338-L341 PolarHBondContact O-N 3.19Å; V338-F342 HydrophobicContact CG1-CD2 3.61Å; V338-F342 HydrophobicContact CG1-CE2 3.73Å; V338-F342 WeakPolarHBondContact O-CD2 3.49Å; V338-F342 PolarHBondContact O-N 3.28Å; V338-F342 VanDerWaalsContact O-N 3.14Å; V338-L346 HydrophobicContact CG1-CD1 3.92Å
339	E	94.7	Very high	96	Very high	79 Å²	79	56.2 Å²	56.2	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-63.4	-47.2	177.3	-67.5	-172.3	112.9	0	0	111.2	L341 F342 D343 V344 D345 L346	E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.79Å; E339-F342 PolarHBondContact O-N 2.98Å; E339-D343 VanDerWaalsContact O-CA 3.31Å; E339-D343 WeakPolarHBondContact O-CA 3.41Å; E339-D343 PolarHBondContact O-N 3.41Å; E339-V344 VanDerWaalsContact CA-O 3.3Å; E339-V344 WeakPolarHBondContact CA-O 3.46Å; E339-V344 WeakPolarHBondContact CB-O 3.1Å; E339-V344 WeakPolarHBondContact CG-O 3.3Å; E339-V344 PolarHBondContact O-N 3.43Å; E339-D345 WeakPolarHBondContact OE1-CA 3.44Å; E339-L346 HydrophobicContact CG-CB 4.2Å; E339-L346 HydrophobicContact CG-CD1 4.42Å; E339-L346 HydrophobicContact CG-CG 4.21Å; E339-L346 PolarHBondContact OE1-N 3.17Å
340	D	92.6	Very high	96.1	Very high	115 Å²	115	56.7 Å²	56.7	62%	0.615	30%	0.302	S	S	*	.	H	α-helix	trans	-65.4	-34.6	175.2	-82.8	-4	0	0	0	112.9	D337 F342	D337-D340 HydrophobicContact CB-CB 4.29Å; D340-F342 VanDerWaalsContact C-N 3.32Å; D340-F342 PolarHBondContact O-N 3.38Å
341	L	95	Very high	96.1	Very high	17 Å²	17	57.3 Å²	57.3	9%	0.089	31%	0.308	C	S	.	.	H	α-helix	trans	-64.5	-36.5	177	178.9	61.2	0	0	0	112	L25 V29 I34 A38 D337 V338 E339	L25-L341 HydrophobicContact CB-CD1 4.32Å; L25-L341 HydrophobicContact CD1-CD1 4.44Å; L25-L341 WeakPolarHBondContact CD1-O 3.31Å; L25-L341 HydrophobicContact CD2-CD1 3.91Å; L25-L341 HydrophobicContact CG-CD1 4.44Å; V29-L341 HydrophobicContact CG2-CD1 3.68Å; V29-L341 HydrophobicContact CG2-CD2 3.76Å; V29-L341 HydrophobicContact CG2-CG 4.11Å; I34-L341 HydrophobicContact CG2-CD2 4.01Å; A38-L341 HydrophobicContact CB-CD2 3.91Å; D337-L341 WeakPolarHBondContact O-CB 3.43Å; D337-L341 PolarHBondContact O-N 2.93Å; V338-L341 PolarHBondContact O-N 3.19Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.79Å
342	F	95.5	Very high	96.1	Very high	88 Å²	88	61.4 Å²	61.4	39%	0.386	33%	0.327	S	S	.	.	H	α-helix	trans	-106.3	-7	-175.6	-67.9	-56.6	0	0	0	114.5	I34 V338 E339 D340 V344	I34-F342 HydrophobicContact CD1-CE2 4.14Å; I34-F342 HydrophobicContact CD1-CZ 3.75Å; I34-F342 HydrophobicContact CG1-CE2 4.44Å; I34-F342 HydrophobicContact CG1-CZ 3.88Å; I34-F342 HydrophobicContact CG2-CE2 3.76Å; I34-F342 HydrophobicContact CG2-CZ 3.96Å; V338-F342 HydrophobicContact CG1-CD2 3.61Å; V338-F342 HydrophobicContact CG1-CE2 3.73Å; V338-F342 WeakPolarHBondContact O-CD2 3.49Å; V338-F342 PolarHBondContact O-N 3.28Å; V338-F342 VanDerWaalsContact O-N 3.14Å; E339-F342 PolarHBondContact O-N 2.98Å; D340-F342 VanDerWaalsContact C-N 3.32Å; D340-F342 PolarHBondContact O-N 3.38Å; F342-V344 VanDerWaalsContact C-N 3.3Å; F342-V344 HydrophobicContact CB-CB 4.47Å; F342-V344 HydrophobicContact CB-CG1 4.1Å; F342-V344 HydrophobicContact CB-CG2 3.71Å
343	D	93.9	Very high	96.2	Very high	83 Å²	83	62 Å²	62	44%	0.444	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	46.9	-169.2	-56.9	-53	0	0	0	110.9	K21 E339	K21-D343 IonicContact NZ-OD1 3.5Å; K21-D343 PolarHBondContact NZ-OD1 2.86Å; K21-D343 IonicContact NZ-OD2 2.73Å; E339-D343 VanDerWaalsContact O-CA 3.31Å; E339-D343 WeakPolarHBondContact O-CA 3.41Å; E339-D343 PolarHBondContact O-N 3.41Å
344	V	95.6	Very high	96.3	Very high	66 Å²	66	59.2 Å²	59.2	40%	0.4	32%	0.315	S	S	.	.			trans	-131.4	151.6	180	-58.7	0	0	0	0	111.2	E339 F342 L346	E339-V344 VanDerWaalsContact CA-O 3.3Å; E339-V344 WeakPolarHBondContact CA-O 3.46Å; E339-V344 WeakPolarHBondContact CB-O 3.1Å; E339-V344 WeakPolarHBondContact CG-O 3.3Å; E339-V344 PolarHBondContact O-N 3.43Å; F342-V344 VanDerWaalsContact C-N 3.3Å; F342-V344 HydrophobicContact CB-CB 4.47Å; F342-V344 HydrophobicContact CB-CG1 4.1Å; F342-V344 HydrophobicContact CB-CG2 3.71Å; V344-L346 HydrophobicContact CG2-CD1 4.38Å; V344-L346 HydrophobicContact CG2-CD2 3.93Å; V344-L346 HydrophobicContact CG2-CG 3.94Å
345	D	96.3	Very high	96.4	Very high	125 Å²	125	61.4 Å²	61.4	67%	0.668	33%	0.326	S	S	*	.			trans	-96.4	120.7	171.4	-178.4	1.2	0	0	0	108.8	E339 T347	E339-D345 WeakPolarHBondContact OE1-CA 3.44Å; D345-T347 WeakPolarHBondContact OD1-CB 3.33Å; D345-T347 PolarHBondContact OD1-N 3.39Å; D345-T347 PolarHBondContact OD1-OG1 2.82Å
346	L	95.8	Very high	96.5	Very high	107 Å²	107	70.3 Å²	70.3	56%	0.56	36%	0.362	S	S	*	.			trans	-111.5	7	178	-59.3	178.6	0	0	0	111.7	V338 E339 V344 M348	V338-L346 HydrophobicContact CG1-CD1 3.92Å; E339-L346 HydrophobicContact CG-CB 4.2Å; E339-L346 HydrophobicContact CG-CD1 4.42Å; E339-L346 HydrophobicContact CG-CG 4.21Å; E339-L346 PolarHBondContact OE1-N 3.17Å; V344-L346 HydrophobicContact CG2-CD1 4.38Å; V344-L346 HydrophobicContact CG2-CD2 3.93Å; V344-L346 HydrophobicContact CG2-CG 3.94Å; L346-M348 PolarHBondContact O-N 2.79Å
347	T	95.7	Very high	96.6	Very high	106 Å²	106	71.7 Å²	71.7	65%	0.65	39%	0.385	S	S	*	.			trans	-62.1	126.5	-176.1	-54.6	0	0	0	0	110.6	D345	D345-T347 WeakPolarHBondContact OD1-CB 3.33Å; D345-T347 PolarHBondContact OD1-N 3.39Å; D345-T347 PolarHBondContact OD1-OG1 2.82Å
348	M	98	Very high	96.8	Very high	63 Å²	63	73.8 Å²	73.8	31%	0.31	39%	0.393	S	S	.	.			trans	-135.7	147.1	168.8	-65.3	-177.2	68.8	0	0	107.2	L346 E352 R353	L346-M348 PolarHBondContact O-N 2.79Å; M348-E352 HydrophobicContact CB-CB 4.34Å; M348-E352 HydrophobicContact CE-CB 3.79Å; M348-R353 HydrophobicContact CB-CG 3.61Å; M348-R353 HydrophobicContact CE-CG 4.47Å; M348-R353 PolarHBondContact O-NH1 2.87Å; M348-R353 HydrophobicContact SD-CG 4.32Å
349	T	98.3	Very high	96.9	Very high	76 Å²	76	72.1 Å²	72.1	47%	0.466	38%	0.383	S	S	.	.			trans	-70.5	158.4	169.7	62.6	0	0	0	0	111.1	A351 E352 R353	T349-A351 PolarHBondContact O-N 3.46Å; T349-E352 WeakPolarHBondContact CB-OE2 3.28Å; T349-E352 WeakPolarHBondContact CG2-OE2 3.16Å; T349-E352 PolarHBondContact N-OE2 2.82Å; T349-E352 PolarHBondContact O-N 2.97Å; T349-E352 VanDerWaalsContact O-N 3.15Å; T349-E352 WeakPolarHBondContact OG1-CB 3.47Å; T349-E352 VanDerWaalsContact OG1-CD 3.27Å; T349-E352 WeakPolarHBondContact OG1-CG 3.46Å; T349-E352 PolarHBondContact OG1-N 3.17Å; T349-E352 PolarHBondContact OG1-OE2 2.91Å; T349-R353 WeakPolarHBondContact O-CG 3.28Å; T349-R353 PolarHBondContact O-N 3.04Å
350	K	98.6	Very high	97.1	Very high	12 Å²	12	71.4 Å²	71.4	5%	0.052	38%	0.381	C	S	.	.	H	α-helix	trans	-55	-37	174.8	-171.2	174.1	-170.5	176.5	0	113.2	N264 P266 L354 D404 T407 Y408	N264-K350 WeakPolarHBondContact OD1-CE 3.28Å; N264-K350 PolarHBondContact OD1-NZ 3.25Å; P266-K350 HydrophobicContact CG-CB 3.89Å; P266-K350 HydrophobicContact CG-CD 4.02Å; P266-K350 HydrophobicContact CG-CG 3.92Å; K350-L354 WeakPolarHBondContact O-CG 3.36Å; K350-L354 PolarHBondContact O-N 3.31Å; K350-D404 WeakPolarHBondContact CD-O 3.32Å; K350-D404 WeakPolarHBondContact CE-O 3.43Å; K350-D404 PolarHBondContact NZ-O 2.84Å; K350-T407 WeakPolarHBondContact CE-O 3.46Å; K350-T407 PolarHBondContact NZ-O 3.46Å; K350-Y408 HydrophobicContact CD-CE1 4.34Å; K350-Y408 VanDerWaalsContact CE-CE1 3.42Å; K350-Y408 HydrophobicContact CG-CE1 4.07Å
351	A	98.6	Very high	97.3	Very high	20 Å²	20	66.1 Å²	66.1	17%	0.165	35%	0.353	C	S	.	.	H	α-helix	trans	-65.7	-49	175.6	0	0	0	0	0	111.9	P266 T267 T349 R353 L354 D355	P266-A351 HydrophobicContact CG-CB 4.31Å; P266-A351 WeakPolarHBondContact O-CB 3.43Å; T267-A351 HydrophobicContact CG2-CB 4.25Å; T349-A351 PolarHBondContact O-N 3.46Å; A351-R353 VanDerWaalsContact C-N 3.29Å; A351-R353 PolarHBondContact O-N 3Å; A351-L354 PolarHBondContact O-N 3.19Å; A351-L354 VanDerWaalsContact O-N 3.17Å; A351-D355 PolarHBondContact O-N 3.21Å
352	E	98.6	Very high	97.4	Very high	86 Å²	86	68.1 Å²	68.1	40%	0.402	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-39.2	177.2	-71.8	163.6	142.6	0	0	111.7	M348 T349 L354 D355 Y356	M348-E352 HydrophobicContact CB-CB 4.34Å; M348-E352 HydrophobicContact CE-CB 3.79Å; T349-E352 WeakPolarHBondContact CB-OE2 3.28Å; T349-E352 WeakPolarHBondContact CG2-OE2 3.16Å; T349-E352 PolarHBondContact N-OE2 2.82Å; T349-E352 PolarHBondContact O-N 2.97Å; T349-E352 VanDerWaalsContact O-N 3.15Å; T349-E352 WeakPolarHBondContact OG1-CB 3.47Å; T349-E352 VanDerWaalsContact OG1-CD 3.27Å; T349-E352 WeakPolarHBondContact OG1-CG 3.46Å; T349-E352 PolarHBondContact OG1-N 3.17Å; T349-E352 PolarHBondContact OG1-OE2 2.91Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 3.1Å; E352-D355 PolarHBondContact O-N 2.74Å; E352-Y356 WeakPolarHBondContact O-CB 3.48Å; E352-Y356 VanDerWaalsContact O-CD2 3.31Å; E352-Y356 WeakPolarHBondContact O-CD2 3.26Å; E352-Y356 PolarHBondContact O-N 2.94Å
353	R	98.7	Very high	97.5	Very high	12 Å²	12	64.3 Å²	64.3	5%	0.045	35%	0.349	C	S	.	.	H	α-helix	trans	-64.4	-37.5	177.8	-65	-172.5	-55.3	-95.8	4.3	112.4	M348 T349 A351 G357 E358 S359 E405	M348-R353 HydrophobicContact CB-CG 3.61Å; M348-R353 HydrophobicContact CE-CG 4.47Å; M348-R353 PolarHBondContact O-NH1 2.87Å; M348-R353 HydrophobicContact SD-CG 4.32Å; T349-R353 WeakPolarHBondContact O-CG 3.28Å; T349-R353 PolarHBondContact O-N 3.04Å; A351-R353 VanDerWaalsContact C-N 3.29Å; A351-R353 PolarHBondContact O-N 3Å; R353-G357 PolarHBondContact O-N 2.9Å; R353-E358 HydrophobicContact CB-CB 4.14Å; R353-E358 HydrophobicContact CG-CB 4.28Å; R353-E358 HydrophobicContact CG-CG 4.23Å; R353-E358 PolarHBondContact O-N 3.46Å; R353-S359 PolarHBondContact O-N 3.32Å; R353-S359 VanDerWaalsContact O-N 3.1Å; R353-E405 IonicContact CZ-OE2 3.49Å; R353-E405 VanDerWaalsContact CZ-OE2 3.23Å; R353-E405 IonicContact NH1-OE2 2.63Å; R353-E405 PolarHBondContact NH1-OE2 2.93Å; R353-E405 PolarHBondContact NH2-O 3.11Å; R353-E405 IonicContact NH2-OE2 3.97Å; R353-E405 PolarHBondContact NH2-OE2 3.35Å
354	L	98.5	Very high	97.8	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-68.9	-49	175	-74	167.1	0	0	0	111.7	A265 T267 K350 A351 E352 Y356 Y408 P437 M438	A265-L354 HydrophobicContact CB-CD1 4.39Å; T267-L354 HydrophobicContact CG2-CB 3.85Å; T267-L354 HydrophobicContact CG2-CD1 4.01Å; K350-L354 WeakPolarHBondContact O-CG 3.36Å; K350-L354 PolarHBondContact O-N 3.31Å; A351-L354 PolarHBondContact O-N 3.19Å; A351-L354 VanDerWaalsContact O-N 3.17Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 3.1Å; L354-Y356 VanDerWaalsContact C-N 3.35Å; L354-Y356 PolarHBondContact O-N 2.87Å; L354-Y408 HydrophobicContact CD1-CD1 4.47Å; L354-Y408 HydrophobicContact CD1-CE1 4.03Å; L354-Y408 HydrophobicContact CD2-CD1 4.27Å; L354-Y408 HydrophobicContact CD2-CE1 3.78Å; L354-Y408 HydrophobicContact CG-CE1 4.04Å; L354-P437 HydrophobicContact CB-CG 4.39Å; L354-P437 HydrophobicContact CD2-CB 3.93Å; L354-P437 HydrophobicContact CD2-CG 4.12Å; L354-M438 HydrophobicContact CD2-CE 3.55Å
355	D	98.4	Very high	97.9	Very high	95 Å²	95	57.3 Å²	57.3	51%	0.508	31%	0.309	S	S	.	.	H	α-helix	trans	-67.8	-33.7	-175.9	-75.3	-21.5	0	0	0	112.9	T267 A351 E352	T267-D355 VanDerWaalsContact CG2-OD1 3.32Å; T267-D355 WeakPolarHBondContact CG2-OD1 3.27Å; A351-D355 PolarHBondContact O-N 3.21Å; E352-D355 PolarHBondContact O-N 2.74Å
356	Y	98.3	Very high	98	Very high	188 Å²	188	51.3 Å²	51.3	74%	0.737	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	7.8	-175.8	-68.4	-97.7	0	0	0	113.8	E352 L354	E352-Y356 WeakPolarHBondContact O-CB 3.48Å; E352-Y356 VanDerWaalsContact O-CD2 3.31Å; E352-Y356 WeakPolarHBondContact O-CD2 3.26Å; E352-Y356 PolarHBondContact O-N 2.94Å; L354-Y356 VanDerWaalsContact C-N 3.35Å; L354-Y356 PolarHBondContact O-N 2.87Å
357	G	97.7	Very high	98.2	Very high	60 Å²	60	46.2 Å²	46.2	62%	0.619	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	26	170.1	0	0	0	0	0	115.3	R353	R353-G357 PolarHBondContact O-N 2.9Å
358	E	98.2	Very high	98.3	Very high	108 Å²	108	41.2 Å²	41.2	51%	0.505	22%	0.22	S	C	.	.	S	Bend	trans	-85.6	-34.9	174.6	176	54.1	-153	0	0	112	Q322 R353	Q322-E358 PolarHBondContact NE2-O 2.86Å; R353-E358 HydrophobicContact CB-CB 4.14Å; R353-E358 HydrophobicContact CG-CB 4.28Å; R353-E358 HydrophobicContact CG-CG 4.23Å; R353-E358 PolarHBondContact O-N 3.46Å
359	S	98.3	Very high	98.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.205	C	C	.	.			trans	-142.1	144.6	-176.5	-167.6	0	0	0	0	111.2	D319 R353 Y408	D319-S359 PolarHBondContact OD2-OG 2.96Å; D319-S359 VanDerWaalsContact OD2-OG 3.14Å; R353-S359 PolarHBondContact O-N 3.32Å; R353-S359 VanDerWaalsContact O-N 3.1Å; S359-Y408 VanDerWaalsContact CB-OH 3.32Å; S359-Y408 WeakPolarHBondContact CB-OH 3.37Å; S359-Y408 PolarHBondContact OG-OH 3.02Å
360	L	97.5	Very high	98.3	Very high	63 Å²	63	34.6 Å²	34.6	33%	0.33	18%	0.183	S	C	.	.			trans	-162.4	172	176.2	52.5	83.2	0	0	0	108.6	D319 T362 P437 A440	D319-L360 VanDerWaalsContact CB-O 3.26Å; D319-L360 WeakPolarHBondContact CB-O 3.42Å; L360-T362 HydrophobicContact CD1-CG2 3.75Å; L360-T362 PolarHBondContact O-N 3.13Å; L360-P437 HydrophobicContact CB-CB 4Å; L360-A440 HydrophobicContact CB-CB 4.42Å; L360-A440 HydrophobicContact CD1-CB 3.75Å
361	M	97.1	Very high	98.3	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.025	19%	0.188	C	C	.	.			trans	-66.3	119.8	176.8	-175.2	-178.9	69.8	0	0	111.1	W315 G317 Y408 Q409 A440 A442	W315-M361 HydrophobicContact CH2-SD 4.28Å; G317-M361 VanDerWaalsContact CA-SD 3.52Å; M361-Y408 HydrophobicContact CB-CD2 4.27Å; M361-Q409 HydrophobicContact SD-CB 4.2Å; M361-Q409 PolarHBondContact SD-OE1 2.97Å; M361-A440 HydrophobicContact CB-CB 4.39Å; M361-A440 VanDerWaalsContact CE-O 3.24Å; M361-A440 WeakPolarHBondContact CE-O 3.4Å; M361-A440 VanDerWaalsContact O-CB 3.26Å; M361-A440 WeakPolarHBondContact O-CB 3.41Å; M361-A442 HydrophobicContact CE-CB 3.92Å; M361-A442 HydrophobicContact CG-CB 4.15Å; M361-A442 HydrophobicContact SD-CB 4.3Å
362	T	97.5	Very high	98.3	Very high	58 Å²	58	36.3 Å²	36.3	36%	0.356	19%	0.19	S	C	.	.			trans	-117.7	-19.3	-177.8	59.9	0	0	0	0	114.2	C318 D319 V320 L360	C318-T362 PolarHBondContact O-N 3.19Å; D319-T362 WeakPolarHBondContact CA-OG1 3.47Å; D319-T362 WeakPolarHBondContact OD1-CG2 3.34Å; D319-T362 PolarHBondContact OD1-OG1 3.32Å; V320-T362 PolarHBondContact N-OG1 2.91Å; L360-T362 HydrophobicContact CD1-CG2 3.75Å; L360-T362 PolarHBondContact O-N 3.13Å
363	H	98.4	Very high	98.1	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.6	-174.8	-168.7	64.9	0	0	0	111.3	C69 C318 V320 M365 N384 W386	C69-H363 WeakPolarHBondContact CB-CE1 3.37Å; C69-H363 WeakPolarHBondContact CB-ND1 3.3Å; C69-H363 PolarHBondContact SG-ND1 3.05Å; C69-H363 VanDerWaalsContact SG-ND1 3.4Å; C318-H363 PolarHBondContact N-O 2.92Å; C318-H363 PolarHBondContact O-N 3.44Å; C318-H363 VanDerWaalsContact O-N 3.09Å; V320-H363 HydrophobicContact CB-CB 3.87Å; V320-H363 HydrophobicContact CG1-CB 3.37Å; H363-M365 VanDerWaalsContact CD2-CG 3.41Å; H363-M365 WeakPolarHBondContact CD2-CG 3.45Å; H363-M365 WeakPolarHBondContact NE2-CG 3.39Å; H363-N384 PolarHBondContact NE2-OD1 3.43Å; H363-W386 AromaticContact CD2-CZ2 3.91Å; H363-W386 AromaticContact CE1-CE2 3.71Å; H363-W386 AromaticContact CE1-CZ2 3.73Å; H363-W386 AromaticContact CE1-NE1 3.31Å; H363-W386 PolarHBondContact CE1-NE1 2.86Å; H363-W386 VanDerWaalsContact CE1-NE1 3.31Å; H363-W386 AromaticContact NE2-CE2 3.69Å; H363-W386 AromaticContact NE2-CZ2 3.59Å; H363-W386 AromaticContact NE2-NE1 3.67Å
364	A	98.7	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.5	178.6	0	0	0	0	0	111.1	C69 W70 A73 W315 F316 A442	C69-A364 WeakPolarHBondContact CB-O 3.49Å; C69-A364 PolarHBondContact SG-N 3.16Å; W70-A364 HydrophobicContact CB-CB 4.12Å; A73-A364 HydrophobicContact CB-CB 4.38Å; W315-A364 HydrophobicContact CH2-CB 4.01Å; W315-A364 HydrophobicContact CZ2-CB 3.32Å; F316-A364 CarbonylContact O-C 3.31Å; F316-A364 VanDerWaalsContact O-CA 3.24Å; F316-A364 WeakPolarHBondContact O-CA 3.15Å; A364-A442 HydrophobicContact CB-CB 4.14Å
365	M	98.7	Very high	97.5	Very high	2 Å²	2	46 Å²	46	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-172.9	-176.9	-68	-175.8	-73	0	0	109.5	F316 C318 V320 M331 H363 V382 N384	F316-M365 VanDerWaalsContact CD1-C 3.49Å; F316-M365 HydrophobicContact CD1-CB 4.12Å; F316-M365 WeakPolarHBondContact CD1-O 3.42Å; F316-M365 HydrophobicContact CE1-CB 3.4Å; F316-M365 VanDerWaalsContact CE1-CB 3.4Å; F316-M365 HydrophobicContact CE2-CE 4.16Å; F316-M365 HydrophobicContact CZ-CB 3.73Å; F316-M365 HydrophobicContact CZ-CE 3.68Å; F316-M365 PolarHBondContact N-O 2.96Å; F316-M365 PolarHBondContact O-N 2.9Å; C318-M365 VanDerWaalsContact SG-CE 3.52Å; V320-M365 HydrophobicContact CB-CE 4.28Å; V320-M365 HydrophobicContact CG2-CE 3.75Å; V320-M365 HydrophobicContact CG2-SD 4.38Å; M331-M365 HydrophobicContact CE-CE 3.78Å; M331-M365 HydrophobicContact SD-CE 3.99Å; H363-M365 VanDerWaalsContact CD2-CG 3.41Å; H363-M365 WeakPolarHBondContact CD2-CG 3.45Å; H363-M365 WeakPolarHBondContact NE2-CG 3.39Å; M365-V382 HydrophobicContact CB-CG1 3.83Å; M365-V382 HydrophobicContact CE-CG1 3.83Å; M365-V382 HydrophobicContact CG-CG1 4.26Å; M365-V382 HydrophobicContact SD-CG1 3.47Å; M365-V382 WeakPolarHBondContact SD-CG1 3.44Å; M365-N384 HydrophobicContact SD-CB 3.9Å
366	V	98.7	Very high	97.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.7	-179.3	-173.4	0	0	0	0	110.7	A73 N76 T77 S313 V314 T368 V382 E383	A73-V366 HydrophobicContact CB-CG2 3.73Å; A73-V366 VanDerWaalsContact O-CG2 3.25Å; A73-V366 WeakPolarHBondContact O-CG2 3.22Å; N76-V366 HydrophobicContact CB-CG2 3.96Å; T77-V366 HydrophobicContact CG2-CG1 3.96Å; T77-V366 HydrophobicContact CG2-CG2 4.25Å; S313-V366 VanDerWaalsContact CB-CG1 3.47Å; V314-V366 CarbonylContact O-C 3.22Å; V314-V366 WeakPolarHBondContact O-CA 3.37Å; V366-T368 HydrophobicContact CB-CG2 4.34Å; V366-T368 HydrophobicContact CG1-CG2 3.89Å; V366-V382 CarbonylContact O-C 3.43Å; V366-V382 WeakPolarHBondContact O-CA 3.37Å; V366-E383 HydrophobicContact CB-CB 4.26Å; V366-E383 PolarHBondContact N-O 3.24Å; V366-E383 PolarHBondContact O-N 3.29Å
367	L	98.8	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.8	166.3	-50	176.5	0	0	0	108.5	A304 L308 S313 V314 F316 W380 K381 V382 M398 M403	A304-L367 HydrophobicContact CB-CD1 4.22Å; L308-L367 HydrophobicContact CD1-CB 4.42Å; S313-L367 CarbonylContact C-O 3.46Å; S313-L367 VanDerWaalsContact CA-O 3.3Å; S313-L367 WeakPolarHBondContact CA-O 3.4Å; S313-L367 VanDerWaalsContact CB-O 3.32Å; S313-L367 WeakPolarHBondContact CB-O 3.42Å; V314-L367 HydrophobicContact CB-CB 4.06Å; V314-L367 HydrophobicContact CB-CD1 4.19Å; V314-L367 HydrophobicContact CB-CG 4.33Å; V314-L367 HydrophobicContact CG1-CD1 4.36Å; V314-L367 PolarHBondContact N-O 3.42Å; V314-L367 PolarHBondContact O-N 3.33Å; F316-L367 HydrophobicContact CB-CG 4.45Å; F316-L367 HydrophobicContact CD1-CD2 3.57Å; F316-L367 HydrophobicContact CD1-CG 3.61Å; F316-L367 HydrophobicContact CE1-CD2 3.41Å; F316-L367 VanDerWaalsContact CE1-CD2 3.41Å; F316-L367 HydrophobicContact CE1-CG 3.96Å; F316-L367 HydrophobicContact CE2-CD2 4.4Å; F316-L367 HydrophobicContact CG-CD2 4.11Å; F316-L367 HydrophobicContact CG-CG 4.11Å; F316-L367 HydrophobicContact CZ-CD2 3.85Å; L367-W380 HydrophobicContact CD1-CE3 4.02Å; L367-W380 HydrophobicContact CD1-CZ3 4.25Å; L367-W380 HydrophobicContact CD2-CB 4.3Å; L367-K381 WeakPolarHBondContact CA-O 3.36Å; L367-V382 HydrophobicContact CD2-CG2 4.01Å; L367-M398 HydrophobicContact CD2-CE 3.72Å; L367-M403 HydrophobicContact CD1-CE 4.16Å
368	T	98.5	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	7.2	-177	59.9	0	0	0	0	112.5	L55 T57 V366 K381 E383	L55-T368 VanDerWaalsContact CB-O 3.25Å; L55-T368 WeakPolarHBondContact CB-O 3.38Å; L55-T368 VanDerWaalsContact CG-O 3.29Å; L55-T368 WeakPolarHBondContact CG-O 3.2Å; L55-T368 PolarHBondContact N-O 2.86Å; T57-T368 HydrophobicContact CG2-CG2 3.59Å; V366-T368 HydrophobicContact CB-CG2 4.34Å; V366-T368 HydrophobicContact CG1-CG2 3.89Å; T368-K381 PolarHBondContact N-O 2.78Å; T368-K381 WeakPolarHBondContact OG1-CG 3.5Å; T368-E383 HydrophobicContact CG2-CB 3.78Å
369	G	98.4	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	163	179.4	0	0	0	0	0	111.8	I53 K381	I53-G369 CarbonylContact O-C 3.44Å; I53-G369 WeakPolarHBondContact O-CA 3.47Å; G369-K381 PolarHBondContact O-N 2.94Å
370	V	98.7	Very high	97.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	140.9	178.4	59.6	0	0	0	0	109	S52 I53 V305 L308 L372 A377 K379 W380	S52-V370 PolarHBondContact N-O 3.43Å; S52-V370 PolarHBondContact OG-O 3.12Å; S52-V370 VanDerWaalsContact OG-O 3.06Å; I53-V370 HydrophobicContact CB-CG1 4.01Å; I53-V370 HydrophobicContact CD1-CG1 3.89Å; I53-V370 HydrophobicContact CG1-CG1 4.29Å; I53-V370 PolarHBondContact N-O 3.25Å; I53-V370 PolarHBondContact O-N 3.48Å; V305-V370 HydrophobicContact CG2-CG2 4.48Å; L308-V370 HydrophobicContact CD1-CB 4.02Å; L308-V370 HydrophobicContact CD1-CG1 3.88Å; V370-L372 HydrophobicContact CG1-CD1 4.45Å; V370-L372 HydrophobicContact CG1-CD2 4.33Å; V370-L372 HydrophobicContact CG1-CG 4.14Å; V370-L372 HydrophobicContact CG2-CD2 3.91Å; V370-L372 HydrophobicContact CG2-CG 4.34Å; V370-A377 HydrophobicContact CG2-CB 3.83Å; V370-K379 WeakPolarHBondContact CA-O 3.32Å; V370-W380 HydrophobicContact CB-CD2 4.4Å; V370-W380 HydrophobicContact CB-CE3 3.77Å; V370-W380 HydrophobicContact CB-CZ3 3.99Å; V370-W380 HydrophobicContact CG2-CD2 3.95Å; V370-W380 HydrophobicContact CG2-CE3 3.7Å; V370-W380 HydrophobicContact CG2-CH2 4.15Å; V370-W380 HydrophobicContact CG2-CZ2 4.33Å; V370-W380 HydrophobicContact CG2-CZ3 3.81Å
371	D	98.3	Very high	97.4	Very high	30 Å²	30	34.1 Å²	34.1	16%	0.16	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.4	171.5	-160.9	32.3	0	0	0	109.6	F51 S52 A377 K378 K379	F51-D371 HydrophobicContact CD1-CB 4.23Å; S52-D371 PolarHBondContact N-OD1 3.09Å; S52-D371 VanDerWaalsContact N-OD1 3.07Å; D371-A377 WeakPolarHBondContact O-CA 3.3Å; D371-K378 PolarHBondContact O-N 2.77Å; D371-K379 HydrophobicContact CB-CD 4.5Å; D371-K379 HydrophobicContact CB-CG 3.66Å; D371-K379 PolarHBondContact N-O 2.77Å; D371-K379 VanDerWaalsContact OD2-CE 3.32Å; D371-K379 WeakPolarHBondContact OD2-CE 3.29Å
372	L	97.7	Very high	97.4	Very high	38 Å²	38	33.9 Å²	33.9	20%	0.199	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.4	-178.1	-62.1	175.5	0	0	0	109.7	S52 I53 V305 V370 Q376 A377	S52-L372 PolarHBondContact OG-N 3.36Å; I53-L372 HydrophobicContact CD1-CD1 3.82Å; V305-L372 HydrophobicContact CG1-CD1 4.01Å; V305-L372 HydrophobicContact CG1-CD2 4.25Å; V305-L372 HydrophobicContact CG2-CD2 4.22Å; V370-L372 HydrophobicContact CG1-CD1 4.45Å; V370-L372 HydrophobicContact CG1-CD2 4.33Å; V370-L372 HydrophobicContact CG1-CG 4.14Å; V370-L372 HydrophobicContact CG2-CD2 3.91Å; V370-L372 HydrophobicContact CG2-CG 4.34Å; L372-Q376 WeakPolarHBondContact CA-O 3.39Å; L372-A377 HydrophobicContact CD2-CB 4.2Å
373	I	95.8	Very high	97.5	Very high	83 Å²	83	31.2 Å²	31.2	43%	0.426	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.5	171.8	-56.4	-173.3	0	0	0	107.7	G375 Q376 K378	I373-G375 PolarHBondContact O-N 3.25Å; I373-Q376 PolarHBondContact N-O 2.68Å; I373-Q376 PolarHBondContact O-N 3.07Å; I373-K378 HydrophobicContact CB-CG 4.05Å; I373-K378 HydrophobicContact CD1-CG 3.86Å; I373-K378 HydrophobicContact CG1-CG 3.82Å
374	D	93.4	Very high	97.5	Very high	159 Å²	159	30.9 Å²	30.9	85%	0.85	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.8	-176	-57.4	-41.6	0	0	0	113.1	Q376	D374-Q376 VanDerWaalsContact C-N 3.28Å; D374-Q376 PolarHBondContact O-N 2.9Å
375	G	90.8	Very high	97.5	Very high	69 Å²	69	31 Å²	31	71%	0.711	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	0.8	-178.9	0	0	0	0	0	115.1	I373	I373-G375 PolarHBondContact O-N 3.25Å
376	Q	94.8	Very high	97.5	Very high	121 Å²	121	33 Å²	33	57%	0.565	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.5	177.6	-61.1	179.2	7.8	0	0	111	L372 I373 D374	L372-Q376 WeakPolarHBondContact CA-O 3.39Å; I373-Q376 PolarHBondContact N-O 2.68Å; I373-Q376 PolarHBondContact O-N 3.07Å; D374-Q376 VanDerWaalsContact C-N 3.28Å; D374-Q376 PolarHBondContact O-N 2.9Å
377	A	97.6	Very high	97.4	Very high	12 Å²	12	33.3 Å²	33.3	10%	0.099	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	137.2	170.4	0	0	0	0	0	110.7	V370 D371 L372 W380 D400	V370-A377 HydrophobicContact CG2-CB 3.83Å; D371-A377 WeakPolarHBondContact O-CA 3.3Å; L372-A377 HydrophobicContact CD2-CB 4.2Å; A377-W380 HydrophobicContact CB-CH2 4.22Å; A377-W380 HydrophobicContact CB-CZ2 3.51Å; A377-D400 WeakPolarHBondContact CB-OD1 3.29Å
378	K	97.4	Very high	97.3	Very high	84 Å²	84	38.2 Å²	38.2	37%	0.365	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-35.6	174.4	-62.5	-58.6	174.8	-159.7	0	112.4	D371 I373 D400	D371-K378 PolarHBondContact O-N 2.77Å; I373-K378 HydrophobicContact CB-CG 4.05Å; I373-K378 HydrophobicContact CD1-CG 3.86Å; I373-K378 HydrophobicContact CG1-CG 3.82Å; K378-D400 PolarHBondContact O-N 3.06Å; K378-D400 VanDerWaalsContact O-N 3.1Å
379	K	98.1	Very high	97.3	Very high	18 Å²	18	48 Å²	48	8%	0.078	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	159.9	177.6	55.4	-174.5	171.5	-171.2	0	110.6	T48 V50 F51 V370 D371 V397 M398	T48-K379 WeakPolarHBondContact O-CE 3.46Å; T48-K379 PolarHBondContact O-NZ 3.11Å; T48-K379 PolarHBondContact OG1-NZ 3.3Å; T48-K379 VanDerWaalsContact OG1-NZ 3.15Å; V50-K379 WeakPolarHBondContact O-CE 3.33Å; F51-K379 HydrophobicContact CD1-CG 4.3Å; F51-K379 HydrophobicContact CE1-CD 4.43Å; F51-K379 HydrophobicContact CE1-CG 4.1Å; V370-K379 WeakPolarHBondContact CA-O 3.32Å; D371-K379 HydrophobicContact CB-CD 4.5Å; D371-K379 HydrophobicContact CB-CG 3.66Å; D371-K379 PolarHBondContact N-O 2.77Å; D371-K379 VanDerWaalsContact OD2-CE 3.32Å; D371-K379 WeakPolarHBondContact OD2-CE 3.29Å; K379-V397 HydrophobicContact CB-CG1 4.15Å; K379-V397 HydrophobicContact CD-CG1 3.96Å; K379-V397 HydrophobicContact CG-CG1 4.46Å; K379-M398 CarbonylContact C-O 3.59Å; K379-M398 WeakPolarHBondContact CA-O 3.1Å; K379-M398 WeakPolarHBondContact CB-O 3.35Å
380	W	98.8	Very high	97.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.5	-170.5	-55.1	85.7	0	0	0	109.6	F51 K301 A304 V305 L308 L367 V370 A377 M398 D400 M403	F51-W380 VanDerWaalsContact CE1-C 3.42Å; K301-W380 HydrophobicContact CB-CH2 4.27Å; K301-W380 HydrophobicContact CB-CZ2 4.13Å; K301-W380 HydrophobicContact CD-CZ2 4.05Å; K301-W380 HydrophobicContact CG-CH2 4.48Å; K301-W380 HydrophobicContact CG-CZ2 3.99Å; A304-W380 HydrophobicContact CB-CH2 4.23Å; A304-W380 HydrophobicContact CB-CZ3 4.08Å; V305-W380 HydrophobicContact CG2-CH2 3.59Å; V305-W380 HydrophobicContact CG2-CZ3 4.03Å; L308-W380 HydrophobicContact CD1-CE3 4.18Å; L308-W380 HydrophobicContact CD1-CZ3 3.98Å; L367-W380 HydrophobicContact CD1-CE3 4.02Å; L367-W380 HydrophobicContact CD1-CZ3 4.25Å; L367-W380 HydrophobicContact CD2-CB 4.3Å; V370-W380 HydrophobicContact CB-CD2 4.4Å; V370-W380 HydrophobicContact CB-CE3 3.77Å; V370-W380 HydrophobicContact CB-CZ3 3.99Å; V370-W380 HydrophobicContact CG2-CD2 3.95Å; V370-W380 HydrophobicContact CG2-CE3 3.7Å; V370-W380 HydrophobicContact CG2-CH2 4.15Å; V370-W380 HydrophobicContact CG2-CZ2 4.33Å; V370-W380 HydrophobicContact CG2-CZ3 3.81Å; A377-W380 HydrophobicContact CB-CH2 4.22Å; A377-W380 HydrophobicContact CB-CZ2 3.51Å; W380-M398 HydrophobicContact CB-CB 4.26Å; W380-M398 HydrophobicContact CB-CE 3.7Å; W380-M398 HydrophobicContact CG-CE 3.84Å; W380-M398 PolarHBondContact N-O 3.26Å; W380-M398 PolarHBondContact O-N 2.81Å; W380-D400 PolarHBondContact NE1-OD1 3.49Å; W380-M403 HydrophobicContact CH2-CE 4.5Å; W380-M403 HydrophobicContact CZ2-CE 4.37Å
381	K	98.7	Very high	97.1	Very high	30 Å²	30	49.5 Å²	49.5	13%	0.13	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.6	173	-171	179.9	177.3	174.6	0	108.8	F51 D54 L367 T368 G369 F395	F51-K381 HydrophobicContact CD1-CB 4.01Å; F51-K381 HydrophobicContact CD2-CB 3.79Å; F51-K381 HydrophobicContact CD2-CD 3.84Å; F51-K381 HydrophobicContact CD2-CG 4.04Å; F51-K381 HydrophobicContact CE1-CB 3.74Å; F51-K381 VanDerWaalsContact CE1-N 3.34Å; F51-K381 HydrophobicContact CE2-CB 3.51Å; F51-K381 HydrophobicContact CE2-CD 3.76Å; F51-K381 HydrophobicContact CE2-CG 3.55Å; F51-K381 HydrophobicContact CG-CB 4.03Å; F51-K381 HydrophobicContact CZ-CB 3.47Å; F51-K381 VanDerWaalsContact CZ-CB 3.47Å; F51-K381 HydrophobicContact CZ-CG 3.86Å; D54-K381 WeakPolarHBondContact OD1-CD 3.36Å; D54-K381 IonicContact OD1-NZ 2.84Å; D54-K381 PolarHBondContact OD1-NZ 3.3Å; D54-K381 IonicContact OD2-NZ 3.75Å; D54-K381 PolarHBondContact OD2-NZ 3.11Å; L367-K381 WeakPolarHBondContact CA-O 3.36Å; T368-K381 PolarHBondContact N-O 2.78Å; T368-K381 WeakPolarHBondContact OG1-CG 3.5Å; G369-K381 PolarHBondContact O-N 2.94Å; K381-F395 HydrophobicContact CD-CD1 4.44Å; K381-F395 HydrophobicContact CG-CD1 4.2Å
382	V	98.8	Very high	97	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.9	-175	174.5	0	0	0	0	109.3	F316 M331 M365 V366 L367 F395 F396 M398	F316-V382 HydrophobicContact CE1-CG1 3.84Å; F316-V382 HydrophobicContact CE1-CG2 4.18Å; F316-V382 HydrophobicContact CZ-CB 4.44Å; F316-V382 HydrophobicContact CZ-CG1 3.72Å; F316-V382 HydrophobicContact CZ-CG2 3.85Å; M331-V382 HydrophobicContact SD-CG2 4.44Å; M365-V382 HydrophobicContact CB-CG1 3.83Å; M365-V382 HydrophobicContact CE-CG1 3.83Å; M365-V382 HydrophobicContact CG-CG1 4.26Å; M365-V382 HydrophobicContact SD-CG1 3.47Å; M365-V382 WeakPolarHBondContact SD-CG1 3.44Å; V366-V382 CarbonylContact O-C 3.43Å; V366-V382 WeakPolarHBondContact O-CA 3.37Å; L367-V382 HydrophobicContact CD2-CG2 4.01Å; V382-F395 CarbonylContact O-C 3.52Å; V382-F395 VanDerWaalsContact O-CA 3.24Å; V382-F395 WeakPolarHBondContact O-CA 3.32Å; V382-F396 HydrophobicContact CB-CB 3.93Å; V382-F396 HydrophobicContact CG1-CB 4.22Å; V382-F396 PolarHBondContact N-O 2.97Å; V382-F396 PolarHBondContact O-N 3Å; V382-M398 HydrophobicContact CG2-CB 3.88Å; V382-M398 HydrophobicContact CG2-CE 4.21Å; V382-M398 HydrophobicContact CG2-SD 4.49Å
383	E	98.6	Very high	97	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.2	167.3	-169.7	-163.5	-164.3	0	0	109.7	V60 N76 R79 H80 V366 T368 F395	V60-E383 HydrophobicContact CG1-CG 3.82Å; N76-E383 WeakPolarHBondContact CB-OE2 3.48Å; N76-E383 PolarHBondContact ND2-OE1 2.81Å; N76-E383 PolarHBondContact ND2-OE2 3.33Å; R79-E383 IonicContact CZ-OE1 2.57Å; R79-E383 IonicContact NH2-OE1 2.87Å; R79-E383 PolarHBondContact NH2-OE1 2.64Å; H80-E383 IonicContact CE1-OE2 3.6Å; H80-E383 PolarHBondContact CE1-OE2 3.11Å; H80-E383 IonicContact NE2-OE1 3.04Å; H80-E383 IonicContact NE2-OE2 3.9Å; H80-E383 PolarHBondContact NE2-OE2 2.97Å; V366-E383 HydrophobicContact CB-CB 4.26Å; V366-E383 PolarHBondContact N-O 3.24Å; V366-E383 PolarHBondContact O-N 3.29Å; T368-E383 HydrophobicContact CG2-CB 3.78Å; E383-F395 HydrophobicContact CB-CD1 4Å; E383-F395 HydrophobicContact CB-CE1 3.65Å; E383-F395 HydrophobicContact CB-CZ 4.45Å; E383-F395 HydrophobicContact CG-CD1 4.29Å; E383-F395 HydrophobicContact CG-CE1 3.68Å; E383-F395 HydrophobicContact CG-CZ 3.98Å
384	N	98.3	Very high	97	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.276	C	S	.	.			trans	-100.3	165.4	176.9	-156.7	-16.3	0	0	0	111.2	H363 M365 W386 G394 F396	H363-N384 PolarHBondContact NE2-OD1 3.43Å; M365-N384 HydrophobicContact SD-CB 3.9Å; N384-W386 WeakPolarHBondContact ND2-CZ3 3.23Å; N384-G394 WeakPolarHBondContact CB-O 3.49Å; N384-G394 PolarHBondContact N-O 3.18Å; N384-F396 HydrophobicContact CB-CD1 4.02Å; N384-F396 HydrophobicContact CB-CE1 4.15Å
385	S	98.3	Very high	97.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	24%	0.241	C	C	.	.	S	Bend	trans	-111.1	32.3	-176.6	51.3	0	0	0	0	112.4	A61 N62 Q63	A61-S385 CarbonylContact O-C 3.43Å; A61-S385 VanDerWaalsContact O-C 3.31Å; A61-S385 WeakPolarHBondContact O-CA 3.17Å; N62-S385 CarbonylContact C-O 3.44Å; N62-S385 VanDerWaalsContact CA-O 3.27Å; N62-S385 WeakPolarHBondContact CA-O 3.45Å; Q63-S385 PolarHBondContact N-O 3.42Å; Q63-S385 PolarHBondContact OE1-OG 3.47Å
386	W	98.4	Very high	97.6	Very high	45 Å²	45	44.3 Å²	44.3	17%	0.17	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-108.5	11.3	-178.5	-64	-13.9	0	0	0	113.8	N62 V320 R326 H363 N384 V390 F396	N62-W386 PolarHBondContact ND2-O 3.49Å; V320-W386 HydrophobicContact CG1-CH2 3.95Å; V320-W386 HydrophobicContact CG1-CZ2 4.19Å; V320-W386 HydrophobicContact CG2-CH2 3.93Å; R326-W386 HydrophobicContact CG-CE3 4.34Å; R326-W386 HydrophobicContact CG-CZ3 4.22Å; H363-W386 AromaticContact CD2-CZ2 3.91Å; H363-W386 AromaticContact CE1-CE2 3.71Å; H363-W386 AromaticContact CE1-CZ2 3.73Å; H363-W386 AromaticContact CE1-NE1 3.31Å; H363-W386 PolarHBondContact CE1-NE1 2.86Å; H363-W386 VanDerWaalsContact CE1-NE1 3.31Å; H363-W386 AromaticContact NE2-CE2 3.69Å; H363-W386 AromaticContact NE2-CZ2 3.59Å; H363-W386 AromaticContact NE2-NE1 3.67Å; N384-W386 WeakPolarHBondContact ND2-CZ3 3.23Å; W386-V390 HydrophobicContact CB-CG2 3.84Å; W386-F396 HydrophobicContact CE3-CZ 4.11Å; W386-F396 HydrophobicContact CZ3-CE2 4.38Å; W386-F396 HydrophobicContact CZ3-CZ 4.03Å
387	G	97.7	Very high	97.8	Very high	7 Å²	7	39 Å²	39	7%	0.072	18%	0.183	C	C	.	.			trans	77.6	173.6	-178.5	0	0	0	0	0	114.3	V60 A61 K389 V390 G394	V60-G387 VanDerWaalsContact CG2-C 3.46Å; A61-G387 PolarHBondContact O-N 3.25Å; G387-K389 PolarHBondContact O-N 3.38Å; G387-K389 VanDerWaalsContact O-N 3.09Å; G387-V390 WeakPolarHBondContact O-CG2 2.95Å; G387-G394 WeakPolarHBondContact O-CA 3.35Å
388	E	97.4	Very high	97.9	Very high	102 Å²	102	38.4 Å²	38.4	48%	0.477	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	2.2	-167.5	-61.1	178.3	112	0	0	115.6	V60 K393	V60-E388 HydrophobicContact CG2-CB 4.48Å; V60-E388 HydrophobicContact CG2-CG 3.74Å; E388-K393 WeakPolarHBondContact O-CA 3.47Å
389	K	97.5	Very high	97.9	Very high	205 Å²	205	34.8 Å²	34.8	89%	0.891	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.1	-174.1	-69.1	-171.6	178.8	-178	0	114.7	G387	G387-K389 PolarHBondContact O-N 3.38Å; G387-K389 VanDerWaalsContact O-N 3.09Å
390	V	96.8	Very high	97.9	Very high	13 Å²	13	35 Å²	35	8%	0.079	17%	0.166	C	C	.	.	S	Bend	trans	-122.2	150.7	-179.8	-70	0	0	0	0	109	R326 W386 G387 G394 F396	R326-V390 HydrophobicContact CG-CG1 4.08Å; R326-V390 WeakPolarHBondContact O-CB 3.37Å; W386-V390 HydrophobicContact CB-CG2 3.84Å; G387-V390 WeakPolarHBondContact O-CG2 2.95Å; V390-G394 WeakPolarHBondContact O-CA 3.47Å; V390-G394 PolarHBondContact O-N 3.16Å; V390-F396 HydrophobicContact CB-CE1 4.3Å; V390-F396 HydrophobicContact CG2-CE1 4.03Å
391	G	96.4	Very high	97.9	Very high	20 Å²	20	40.5 Å²	40.5	21%	0.206	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-153.6	-175.2	0	0	0	0	0	113.1	D327 K393 F395	D327-G391 PolarHBondContact O-N 2.73Å; G391-K393 PolarHBondContact O-N 2.95Å; G391-F395 WeakPolarHBondContact CA-O 3.4Å
392	E	95.9	Very high	97.9	Very high	107 Å²	107	39 Å²	39	50%	0.5	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-87.3	91.4	171.5	-176.8	58.1	-148.3	0	0	108.7	G394 F395	E392-G394 PolarHBondContact O-N 3.2Å; E392-F395 PolarHBondContact N-O 3.2Å; E392-F395 WeakPolarHBondContact O-CB 3.38Å; E392-F395 PolarHBondContact O-N 3.45Å
393	K	96.7	Very high	97.9	Very high	132 Å²	132	39 Å²	39	57%	0.574	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	37.2	-178.1	-55.1	176.5	-171.8	165.9	0	113.7	E388 G391	E388-K393 WeakPolarHBondContact O-CA 3.47Å; G391-K393 PolarHBondContact O-N 2.95Å
394	G	97.6	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-6.2	-179.1	0	0	0	0	0	114.7	N384 G387 V390 E392	N384-G394 WeakPolarHBondContact CB-O 3.49Å; N384-G394 PolarHBondContact N-O 3.18Å; G387-G394 WeakPolarHBondContact O-CA 3.35Å; V390-G394 WeakPolarHBondContact O-CA 3.47Å; V390-G394 PolarHBondContact O-N 3.16Å; E392-G394 PolarHBondContact O-N 3.2Å
395	F	98.3	Very high	97.9	Very high	29 Å²	29	44 Å²	44	13%	0.127	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.9	174.5	-66.1	-95.8	0	0	0	111.4	T57 V60 K381 V382 E383 G391 E392	T57-F395 WeakPolarHBondContact OG1-CE1 3.36Å; T57-F395 WeakPolarHBondContact OG1-CZ 3.3Å; V60-F395 HydrophobicContact CG1-CD2 3.96Å; V60-F395 HydrophobicContact CG1-CE2 3.57Å; V60-F395 HydrophobicContact CG1-CZ 3.93Å; K381-F395 HydrophobicContact CD-CD1 4.44Å; K381-F395 HydrophobicContact CG-CD1 4.2Å; V382-F395 CarbonylContact O-C 3.52Å; V382-F395 VanDerWaalsContact O-CA 3.24Å; V382-F395 WeakPolarHBondContact O-CA 3.32Å; E383-F395 HydrophobicContact CB-CD1 4Å; E383-F395 HydrophobicContact CB-CE1 3.65Å; E383-F395 HydrophobicContact CB-CZ 4.45Å; E383-F395 HydrophobicContact CG-CD1 4.29Å; E383-F395 HydrophobicContact CG-CE1 3.68Å; E383-F395 HydrophobicContact CG-CZ 3.98Å; G391-F395 WeakPolarHBondContact CA-O 3.4Å; E392-F395 PolarHBondContact N-O 3.2Å; E392-F395 WeakPolarHBondContact O-CB 3.38Å; E392-F395 PolarHBondContact O-N 3.45Å
396	F	98.5	Very high	97.9	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	155.9	178.6	-78.5	48.8	0	0	0	109.3	G329 M331 V382 N384 W386 V390	G329-F396 VanDerWaalsContact CA-CD2 3.47Å; G329-F396 CarbonylContact O-C 3.55Å; G329-F396 WeakPolarHBondContact O-CA 3.34Å; G329-F396 WeakPolarHBondContact O-CB 3.48Å; M331-F396 HydrophobicContact CG-CD2 3.99Å; M331-F396 HydrophobicContact SD-CB 4.13Å; M331-F396 HydrophobicContact SD-CD2 3.98Å; V382-F396 HydrophobicContact CB-CB 3.93Å; V382-F396 HydrophobicContact CG1-CB 4.22Å; V382-F396 PolarHBondContact N-O 2.97Å; V382-F396 PolarHBondContact O-N 3Å; N384-F396 HydrophobicContact CB-CD1 4.02Å; N384-F396 HydrophobicContact CB-CE1 4.15Å; W386-F396 HydrophobicContact CE3-CZ 4.11Å; W386-F396 HydrophobicContact CZ3-CE2 4.38Å; W386-F396 HydrophobicContact CZ3-CZ 4.03Å; V390-F396 HydrophobicContact CB-CE1 4.3Å; V390-F396 HydrophobicContact CG2-CE1 4.03Å
397	V	98.5	Very high	97.9	Very high	9 Å²	9	43 Å²	43	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.3	172	-172.1	0	0	0	0	107.9	N47 P49 F51 G329 M331 K379	N47-V397 HydrophobicContact CB-CB 4.35Å; N47-V397 HydrophobicContact CB-CG1 3.96Å; P49-V397 HydrophobicContact CB-CG2 3.64Å; F51-V397 HydrophobicContact CE1-CG1 4.23Å; F51-V397 HydrophobicContact CZ-CG1 4.15Å; F51-V397 HydrophobicContact CZ-CG2 4.07Å; G329-V397 PolarHBondContact O-N 2.75Å; M331-V397 PolarHBondContact N-O 3.39Å; K379-V397 HydrophobicContact CB-CG1 4.15Å; K379-V397 HydrophobicContact CD-CG1 3.96Å; K379-V397 HydrophobicContact CG-CG1 4.46Å
398	M	98.7	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.6	179.7	177	176.6	69	0	0	110	F316 M331 L367 K379 W380 V382 W402 M403	F316-M398 HydrophobicContact CE2-CE 4.35Å; F316-M398 HydrophobicContact CE2-SD 4.27Å; F316-M398 HydrophobicContact CZ-CE 4.47Å; M331-M398 HydrophobicContact CB-CB 3.95Å; M331-M398 HydrophobicContact CB-CG 4.04Å; M331-M398 HydrophobicContact CE-CG 4.37Å; M331-M398 HydrophobicContact CE-SD 3.9Å; M331-M398 CarbonylContact O-C 3.59Å; M331-M398 WeakPolarHBondContact O-CA 3.44Å; M331-M398 HydrophobicContact SD-CB 4.24Å; L367-M398 HydrophobicContact CD2-CE 3.72Å; K379-M398 CarbonylContact C-O 3.59Å; K379-M398 WeakPolarHBondContact CA-O 3.1Å; K379-M398 WeakPolarHBondContact CB-O 3.35Å; W380-M398 HydrophobicContact CB-CB 4.26Å; W380-M398 HydrophobicContact CB-CE 3.7Å; W380-M398 HydrophobicContact CG-CE 3.84Å; W380-M398 PolarHBondContact N-O 3.26Å; W380-M398 PolarHBondContact O-N 2.81Å; V382-M398 HydrophobicContact CG2-CB 3.88Å; V382-M398 HydrophobicContact CG2-CE 4.21Å; V382-M398 HydrophobicContact CG2-SD 4.49Å; M398-W402 HydrophobicContact CG-CB 4.23Å; M398-W402 HydrophobicContact CG-CD2 4.18Å; M398-W402 HydrophobicContact CG-CE3 3.65Å; M398-W402 HydrophobicContact CG-CG 4.46Å; M398-W402 HydrophobicContact CG-CZ3 4.43Å; M398-W402 HydrophobicContact SD-CD2 4.36Å; M398-W402 HydrophobicContact SD-CE3 3.3Å; M398-W402 HydrophobicContact SD-CZ3 3.57Å; M398-W402 VanDerWaalsContact SD-CZ3 3.57Å; M398-M403 HydrophobicContact CE-CB 4.09Å; M398-M403 HydrophobicContact CE-CG 4.3Å; M398-M403 HydrophobicContact CE-SD 3.43Å; M398-M403 WeakPolarHBondContact CE-SD 3.19Å; M398-M403 HydrophobicContact SD-CB 4.38Å; M398-M403 HydrophobicContact SD-SD 4.34Å
399	S	98.3	Very high	98	Very high	8 Å²	8	38 Å²	38	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	154.9	172.4	62.7	0	0	0	0	111.3	M331 A332 E401 W402 M403	M331-S399 PolarHBondContact O-N 2.78Å; M331-S399 PolarHBondContact O-OG 3.23Å; A332-S399 WeakPolarHBondContact CA-OG 3.13Å; S399-E401 VanDerWaalsContact C-N 3.29Å; S399-E401 PolarHBondContact O-N 2.8Å; S399-W402 PolarHBondContact O-N 2.71Å; S399-W402 VanDerWaalsContact OG-CB 3.23Å; S399-W402 WeakPolarHBondContact OG-CB 3.45Å; S399-W402 PolarHBondContact OG-N 2.76Å; S399-M403 PolarHBondContact O-N 2.81Å
400	D	98.2	Very high	98.1	Very high	23 Å²	23	28.3 Å²	28.3	12%	0.123	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-33.1	178	-160.6	55	0	0	0	112.4	K301 A377 K378 W380 M403 D404	K301-D400 VanDerWaalsContact CD-OD1 3.29Å; K301-D400 WeakPolarHBondContact CD-OD1 3.43Å; K301-D400 IonicContact NZ-OD1 3.04Å; K301-D400 IonicContact NZ-OD2 2.79Å; K301-D400 PolarHBondContact NZ-OD2 2.89Å; A377-D400 WeakPolarHBondContact CB-OD1 3.29Å; K378-D400 PolarHBondContact O-N 3.06Å; K378-D400 VanDerWaalsContact O-N 3.1Å; W380-D400 PolarHBondContact NE1-OD1 3.49Å; D400-M403 VanDerWaalsContact O-CB 3.31Å; D400-M403 WeakPolarHBondContact O-CB 3.45Å; D400-M403 PolarHBondContact O-N 3.2Å; D400-D404 PolarHBondContact O-N 2.86Å; D400-D404 VanDerWaalsContact O-N 3.15Å
401	E	97.9	Very high	98.2	Very high	115 Å²	115	27.8 Å²	27.8	54%	0.537	14%	0.135	S	C	.	.	H	α-helix	trans	-68.1	-35.1	176.1	-61.2	82.8	174.9	0	0	111.9	L333 S399 D404 E405	L333-E401 HydrophobicContact CD1-CB 3.79Å; L333-E401 HydrophobicContact CG-CB 4.17Å; S399-E401 VanDerWaalsContact C-N 3.29Å; S399-E401 PolarHBondContact O-N 2.8Å; E401-D404 PolarHBondContact O-N 3.02Å; E401-E405 PolarHBondContact O-N 3.06Å
402	W	98.5	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.3	-39.4	173.7	-167.3	104	0	0	0	111.5	C318 D319 Q322 S323 M331 A332 L333 M398 S399 D404 E405 Y406	C318-W402 HydrophobicContact CB-CH2 3.73Å; C318-W402 HydrophobicContact CB-CZ3 3.8Å; D319-W402 WeakPolarHBondContact O-CH2 3.5Å; D319-W402 VanDerWaalsContact O-CZ2 3.26Å; D319-W402 WeakPolarHBondContact O-CZ2 3.29Å; Q322-W402 WeakPolarHBondContact O-CZ2 3.24Å; Q322-W402 PolarHBondContact O-NE1 2.87Å; S323-W402 PolarHBondContact O-NE1 3.21Å; M331-W402 VanDerWaalsContact C-CD1 3.43Å; M331-W402 HydrophobicContact CB-CD2 3.89Å; M331-W402 HydrophobicContact CB-CE3 4.41Å; M331-W402 HydrophobicContact CB-CG 4.07Å; M331-W402 HydrophobicContact CB-CZ2 4.46Å; M331-W402 HydrophobicContact CE-CD2 4.12Å; M331-W402 HydrophobicContact CE-CE3 3.74Å; M331-W402 HydrophobicContact CE-CH2 3.11Å; M331-W402 HydrophobicContact CE-CZ2 3.5Å; M331-W402 HydrophobicContact CE-CZ3 3.24Å; M331-W402 WeakPolarHBondContact O-CB 3.22Å; A332-W402 VanDerWaalsContact N-CD1 3.31Å; L333-W402 HydrophobicContact CD2-CB 4.4Å; M398-W402 HydrophobicContact CG-CB 4.23Å; M398-W402 HydrophobicContact CG-CD2 4.18Å; M398-W402 HydrophobicContact CG-CE3 3.65Å; M398-W402 HydrophobicContact CG-CG 4.46Å; M398-W402 HydrophobicContact CG-CZ3 4.43Å; M398-W402 HydrophobicContact SD-CD2 4.36Å; M398-W402 HydrophobicContact SD-CE3 3.3Å; M398-W402 HydrophobicContact SD-CZ3 3.57Å; M398-W402 VanDerWaalsContact SD-CZ3 3.57Å; S399-W402 PolarHBondContact O-N 2.71Å; S399-W402 VanDerWaalsContact OG-CB 3.23Å; S399-W402 WeakPolarHBondContact OG-CB 3.45Å; S399-W402 PolarHBondContact OG-N 2.76Å; W402-D404 PolarHBondContact O-N 2.83Å; W402-E405 PolarHBondContact O-N 2.91Å; W402-Y406 AromaticContact CD1-CD2 3.92Å; W402-Y406 HydrophobicContact CD2-CD2 4.15Å; W402-Y406 AromaticContact CE2-CD2 3.82Å; W402-Y406 HydrophobicContact CG-CD2 4.23Å; W402-Y406 HydrophobicContact CZ2-CD2 4.29Å; W402-Y406 HydrophobicContact CZ2-CG 4.22Å; W402-Y406 AromaticContact NE1-CD2 3.69Å; W402-Y406 PolarHBondContact O-N 2.86Å
403	M	98.6	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56	-41.6	174	177.7	74.3	160.9	0	0	110.9	M297 F300 K301 L367 W380 M398 S399 D400 E405 T407 I410	M297-M403 HydrophobicContact CE-CG 4.01Å; M297-M403 WeakPolarHBondContact CE-O 3.36Å; F300-M403 HydrophobicContact CD1-CE 3.93Å; F300-M403 HydrophobicContact CE1-CE 3.52Å; F300-M403 HydrophobicContact CE1-SD 4.49Å; K301-M403 HydrophobicContact CD-CG 4.07Å; K301-M403 HydrophobicContact CG-CE 4.24Å; K301-M403 HydrophobicContact CG-CG 4.16Å; L367-M403 HydrophobicContact CD1-CE 4.16Å; W380-M403 HydrophobicContact CH2-CE 4.5Å; W380-M403 HydrophobicContact CZ2-CE 4.37Å; M398-M403 HydrophobicContact CE-CB 4.09Å; M398-M403 HydrophobicContact CE-CG 4.3Å; M398-M403 HydrophobicContact CE-SD 3.43Å; M398-M403 WeakPolarHBondContact CE-SD 3.19Å; M398-M403 HydrophobicContact SD-CB 4.38Å; M398-M403 HydrophobicContact SD-SD 4.34Å; S399-M403 PolarHBondContact O-N 2.81Å; D400-M403 VanDerWaalsContact O-CB 3.31Å; D400-M403 WeakPolarHBondContact O-CB 3.45Å; D400-M403 PolarHBondContact O-N 3.2Å; M403-E405 PolarHBondContact O-N 2.96Å; M403-T407 HydrophobicContact CE-CG2 4.22Å; M403-T407 VanDerWaalsContact O-CB 3.25Å; M403-T407 WeakPolarHBondContact O-CB 3.32Å; M403-T407 PolarHBondContact O-N 2.86Å; M403-T407 VanDerWaalsContact SD-CB 3.52Å; M403-T407 HydrophobicContact SD-CG2 3.59Å; M403-T407 VanDerWaalsContact SD-CG2 3.59Å; M403-T407 PolarHBondContact SD-OG1 2.86Å; M403-I410 HydrophobicContact CE-CG2 4.49Å
404	D	98.5	Very high	98.4	Very high	46 Å²	46	20 Å²	20	25%	0.246	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-40.4	177.8	-69.5	-19.9	0	0	0	112.8	K301 K350 D400 E401 W402	K301-D404 WeakPolarHBondContact CE-OD1 3.37Å; K301-D404 VanDerWaalsContact NZ-CG 3.27Å; K301-D404 IonicContact NZ-OD1 3.53Å; K301-D404 PolarHBondContact NZ-OD1 2.85Å; K301-D404 IonicContact NZ-OD2 3.23Å; K301-D404 PolarHBondContact NZ-OD2 3.39Å; K350-D404 WeakPolarHBondContact CD-O 3.32Å; K350-D404 WeakPolarHBondContact CE-O 3.43Å; K350-D404 PolarHBondContact NZ-O 2.84Å; D400-D404 PolarHBondContact O-N 2.86Å; D400-D404 VanDerWaalsContact O-N 3.15Å; E401-D404 PolarHBondContact O-N 3.02Å; W402-D404 PolarHBondContact O-N 2.83Å
405	E	98.4	Very high	98.4	Very high	59 Å²	59	26 Å²	26	28%	0.276	12%	0.121	S	C	.	.	H	α-helix	trans	-89.2	-37.3	-171.6	-67.7	-60.3	135.3	0	0	114.7	L333 R353 E401 W402 M403	L333-E405 HydrophobicContact CD1-CG 3.9Å; L333-E405 HydrophobicContact CD2-CB 3.88Å; L333-E405 HydrophobicContact CD2-CG 3.86Å; R353-E405 IonicContact CZ-OE2 3.49Å; R353-E405 VanDerWaalsContact CZ-OE2 3.23Å; R353-E405 IonicContact NH1-OE2 2.63Å; R353-E405 PolarHBondContact NH1-OE2 2.93Å; R353-E405 PolarHBondContact NH2-O 3.11Å; R353-E405 IonicContact NH2-OE2 3.97Å; R353-E405 PolarHBondContact NH2-OE2 3.35Å; E401-E405 PolarHBondContact O-N 3.06Å; W402-E405 PolarHBondContact O-N 2.91Å; M403-E405 PolarHBondContact O-N 2.96Å
406	Y	98.6	Very high	98.3	Very high	27 Å²	27	25.8 Å²	25.8	11%	0.106	12%	0.12	C	C	.	.	H	α-helix	trans	-125	0.2	-167.3	-60.7	-64.8	0	0	0	114.8	C318 D319 Q322 L333 W402 Y408	C318-Y406 CarbonylContact C-O 2.99Å; C318-Y406 WeakPolarHBondContact CA-O 3.4Å; C318-Y406 WeakPolarHBondContact CB-O 3.49Å; D319-Y406 HydrophobicContact CB-CD1 4.5Å; D319-Y406 PolarHBondContact N-O 3.43Å; Q322-Y406 HydrophobicContact CB-CD1 3.49Å; Q322-Y406 VanDerWaalsContact CB-CD1 3.49Å; Q322-Y406 HydrophobicContact CB-CD2 3.86Å; Q322-Y406 HydrophobicContact CB-CE1 3.46Å; Q322-Y406 VanDerWaalsContact CB-CE1 3.46Å; Q322-Y406 HydrophobicContact CB-CE2 3.83Å; Q322-Y406 HydrophobicContact CB-CG 3.7Å; Q322-Y406 HydrophobicContact CG-CD1 3.59Å; Q322-Y406 HydrophobicContact CG-CE1 3.51Å; Q322-Y406 HydrophobicContact CG-CG 4.28Å; L333-Y406 HydrophobicContact CD2-CD2 3.97Å; L333-Y406 HydrophobicContact CD2-CE2 3.58Å; W402-Y406 AromaticContact CD1-CD2 3.92Å; W402-Y406 HydrophobicContact CD2-CD2 4.15Å; W402-Y406 AromaticContact CE2-CD2 3.82Å; W402-Y406 HydrophobicContact CG-CD2 4.23Å; W402-Y406 HydrophobicContact CZ2-CD2 4.29Å; W402-Y406 HydrophobicContact CZ2-CG 4.22Å; W402-Y406 AromaticContact NE1-CD2 3.69Å; W402-Y406 PolarHBondContact O-N 2.86Å; Y406-Y408 WeakPolarHBondContact O-CD2 3.44Å; Y406-Y408 VanDerWaalsContact O-CE2 3.32Å; Y406-Y408 WeakPolarHBondContact O-CE2 3.13Å
407	T	98.7	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.2	167.4	-60.6	0	0	0	0	110.7	F300 F316 K350 M403	F300-T407 HydrophobicContact CE1-CG2 3.86Å; F300-T407 HydrophobicContact CZ-CG2 3.8Å; F316-T407 HydrophobicContact CD2-CG2 3.92Å; K350-T407 WeakPolarHBondContact CE-O 3.46Å; K350-T407 PolarHBondContact NZ-O 3.46Å; M403-T407 HydrophobicContact CE-CG2 4.22Å; M403-T407 VanDerWaalsContact O-CB 3.25Å; M403-T407 WeakPolarHBondContact O-CB 3.32Å; M403-T407 PolarHBondContact O-N 2.86Å; M403-T407 VanDerWaalsContact SD-CB 3.52Å; M403-T407 HydrophobicContact SD-CG2 3.59Å; M403-T407 VanDerWaalsContact SD-CG2 3.59Å; M403-T407 PolarHBondContact SD-OG1 2.86Å
408	Y	98.7	Very high	98.3	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-24.8	-174.3	-63.4	-74.5	0	0	0	113.6	I263 N264 G317 D319 K350 L354 S359 M361 Y406 M438	I263-Y408 CarbonylContact C-O 3.37Å; I263-Y408 WeakPolarHBondContact CA-O 3.49Å; I263-Y408 WeakPolarHBondContact CB-O 3.41Å; N264-Y408 PolarHBondContact N-O 3.45Å; G317-Y408 PolarHBondContact O-N 2.98Å; D319-Y408 HydrophobicContact CB-CE2 4.06Å; K350-Y408 HydrophobicContact CD-CE1 4.34Å; K350-Y408 VanDerWaalsContact CE-CE1 3.42Å; K350-Y408 HydrophobicContact CG-CE1 4.07Å; L354-Y408 HydrophobicContact CD1-CD1 4.47Å; L354-Y408 HydrophobicContact CD1-CE1 4.03Å; L354-Y408 HydrophobicContact CD2-CD1 4.27Å; L354-Y408 HydrophobicContact CD2-CE1 3.78Å; L354-Y408 HydrophobicContact CG-CE1 4.04Å; S359-Y408 VanDerWaalsContact CB-OH 3.32Å; S359-Y408 WeakPolarHBondContact CB-OH 3.37Å; S359-Y408 PolarHBondContact OG-OH 3.02Å; M361-Y408 HydrophobicContact CB-CD2 4.27Å; Y406-Y408 WeakPolarHBondContact O-CD2 3.44Å; Y406-Y408 VanDerWaalsContact O-CE2 3.32Å; Y406-Y408 WeakPolarHBondContact O-CE2 3.13Å; Y408-M438 HydrophobicContact CD1-CE 4.07Å; Y408-M438 HydrophobicContact CG-CE 4.33Å
409	Q	98.8	Very high	98.3	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.4	-171.2	-169	-178.6	10	0	0	111.1	Q140 S261 I262 I263 F300 W315 F316 G317 M361	Q140-Q409 VanDerWaalsContact OE1-OE1 3.11Å; S261-Q409 WeakPolarHBondContact OG-CG 3.48Å; S261-Q409 PolarHBondContact OG-NE2 3.46Å; I262-Q409 CarbonylContact O-C 3.52Å; I262-Q409 VanDerWaalsContact O-CA 3.26Å; I262-Q409 WeakPolarHBondContact O-CA 3.18Å; I263-Q409 HydrophobicContact CG2-CB 4.26Å; I263-Q409 HydrophobicContact CG2-CG 4.04Å; F300-Q409 VanDerWaalsContact CZ-C 3.47Å; W315-Q409 HydrophobicContact CZ3-CB 4.17Å; W315-Q409 VanDerWaalsContact CZ3-CD 3.42Å; W315-Q409 HydrophobicContact CZ3-CG 3.78Å; F316-Q409 CarbonylContact C-O 3.56Å; F316-Q409 WeakPolarHBondContact CA-O 3.38Å; F316-Q409 VanDerWaalsContact CB-O 3.25Å; F316-Q409 WeakPolarHBondContact CB-O 3.25Å; G317-Q409 PolarHBondContact N-O 3.17Å; G317-Q409 PolarHBondContact O-N 3.04Å; G317-Q409 VanDerWaalsContact O-N 3.13Å; M361-Q409 HydrophobicContact SD-CB 4.2Å; M361-Q409 PolarHBondContact SD-OE1 2.97Å
410	I	98.8	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	159.3	162.8	56.4	176.7	0	0	0	109.4	S261 I262 F300 L303 A304 V314 W315 F316 M403 V412	S261-I410 WeakPolarHBondContact CA-O 3.35Å; I262-I410 HydrophobicContact CB-CD1 4.41Å; I262-I410 HydrophobicContact CB-CG1 3.8Å; I262-I410 HydrophobicContact CG1-CG1 4.31Å; I262-I410 PolarHBondContact N-O 3.36Å; I262-I410 PolarHBondContact O-N 3.38Å; F300-I410 HydrophobicContact CD1-CD1 3.83Å; F300-I410 HydrophobicContact CD1-CG1 4.23Å; F300-I410 HydrophobicContact CD1-CG2 4.31Å; F300-I410 HydrophobicContact CD2-CD1 4.23Å; F300-I410 HydrophobicContact CD2-CG1 4.08Å; F300-I410 HydrophobicContact CE1-CB 4.12Å; F300-I410 HydrophobicContact CE1-CD1 3.9Å; F300-I410 HydrophobicContact CE1-CG1 3.88Å; F300-I410 HydrophobicContact CE1-CG2 3.36Å; F300-I410 HydrophobicContact CE2-CB 4.38Å; F300-I410 HydrophobicContact CE2-CD1 4.3Å; F300-I410 HydrophobicContact CE2-CG1 3.72Å; F300-I410 HydrophobicContact CE2-CG2 4.38Å; F300-I410 HydrophobicContact CG-CD1 3.99Å; F300-I410 HydrophobicContact CG-CG1 4.32Å; F300-I410 HydrophobicContact CZ-CB 3.85Å; F300-I410 HydrophobicContact CZ-CD1 4.15Å; F300-I410 HydrophobicContact CZ-CG1 3.63Å; F300-I410 HydrophobicContact CZ-CG2 3.41Å; F300-I410 VanDerWaalsContact CZ-CG2 3.41Å; F300-I410 WeakPolarHBondContact O-CD1 3.43Å; L303-I410 HydrophobicContact CB-CD1 4.3Å; A304-I410 HydrophobicContact CB-CD1 4.01Å; V314-I410 HydrophobicContact CG1-CB 3.84Å; V314-I410 HydrophobicContact CG1-CG2 3.9Å; W315-I410 CarbonylContact O-C 3.52Å; W315-I410 WeakPolarHBondContact O-CA 3.23Å; F316-I410 HydrophobicContact CB-CG2 3.78Å; M403-I410 HydrophobicContact CE-CG2 4.49Å; I410-V412 HydrophobicContact CD1-CG1 3.82Å; I410-V412 HydrophobicContact CG1-CG1 4.19Å
411	V	98.7	Very high	98.3	Very high	2 Å²	2	38 Å²	38	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.9	172.2	174.4	0	0	0	0	109.1	W141 Y259 I260 Q307 W315	W141-V411 HydrophobicContact CB-CG2 3.65Å; W141-V411 HydrophobicContact CD2-CB 4.09Å; W141-V411 HydrophobicContact CD2-CG1 3.54Å; W141-V411 HydrophobicContact CD2-CG2 3.55Å; W141-V411 HydrophobicContact CE3-CB 4.26Å; W141-V411 HydrophobicContact CE3-CG1 3.99Å; W141-V411 HydrophobicContact CE3-CG2 3.83Å; W141-V411 HydrophobicContact CG-CB 4.36Å; W141-V411 HydrophobicContact CG-CG1 3.98Å; W141-V411 HydrophobicContact CG-CG2 3.44Å; W141-V411 VanDerWaalsContact CG-CG2 3.44Å; W141-V411 HydrophobicContact CH2-CG1 4.05Å; W141-V411 HydrophobicContact CZ2-CG1 3.61Å; W141-V411 HydrophobicContact CZ3-CG1 4.22Å; Y259-V411 HydrophobicContact CD1-CG1 4.25Å; I260-V411 WeakPolarHBondContact O-CA 3.46Å; Q307-V411 PolarHBondContact NE2-O 3.34Å; W315-V411 HydrophobicContact CB-CB 4.15Å; W315-V411 HydrophobicContact CB-CG2 4.32Å; W315-V411 HydrophobicContact CD2-CG2 4.14Å; W315-V411 HydrophobicContact CE3-CB 4.47Å; W315-V411 HydrophobicContact CE3-CG2 3.57Å; W315-V411 HydrophobicContact CG-CG2 4.47Å; W315-V411 HydrophobicContact CZ3-CG2 4.28Å; W315-V411 PolarHBondContact O-N 3.14Å
412	V	98.6	Very high	98.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.1	-176.2	-59.4	0	0	0	0	111.6	Y259 I260 I262 L303 V314 I410 L417	Y259-V412 WeakPolarHBondContact CA-O 2.99Å; I260-V412 PolarHBondContact N-O 3.37Å; I260-V412 PolarHBondContact O-N 3.48Å; I260-V412 VanDerWaalsContact O-N 3.11Å; I262-V412 HydrophobicContact CD1-CG2 4.45Å; I262-V412 HydrophobicContact CG1-CG2 3.8Å; L303-V412 HydrophobicContact CB-CG1 4.23Å; L303-V412 HydrophobicContact CB-CG2 4.25Å; L303-V412 HydrophobicContact CD1-CG2 4.38Å; V314-V412 HydrophobicContact CG1-CG1 4.28Å; I410-V412 HydrophobicContact CD1-CG1 3.82Å; I410-V412 HydrophobicContact CG1-CG1 4.19Å; V412-L417 HydrophobicContact CG2-CD1 4.24Å
413	R	97.8	Very high	98.4	Very high	50 Å²	50	37.9 Å²	37.9	19%	0.189	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	137.4	171.3	-73.5	-176.8	-86	163.3	-3.7	112	E258 Y259 E312 E415 F416	E258-R413 CarbonylContact O-C 3.54Å; E258-R413 VanDerWaalsContact O-CA 3.26Å; E258-R413 WeakPolarHBondContact O-CA 3.36Å; Y259-R413 HydrophobicContact CD1-CG 4.11Å; Y259-R413 HydrophobicContact CE1-CG 3.64Å; Y259-R413 HydrophobicContact CE2-CG 4.39Å; E312-R413 IonicContact OE2-CZ 2.65Å; E312-R413 IonicContact OE2-NE 3.32Å; E312-R413 PolarHBondContact OE2-NE 2.79Å; E312-R413 IonicContact OE2-NH2 2.71Å; E312-R413 PolarHBondContact OE2-NH2 3.35Å; R413-E415 HydrophobicContact CB-CG 4.06Å; R413-E415 IonicContact CZ-OE1 3Å; R413-E415 VanDerWaalsContact CZ-OE1 3.32Å; R413-E415 IonicContact NE-OE1 3.1Å; R413-E415 IonicContact NH1-OE1 2.9Å; R413-E415 PolarHBondContact NH1-OE1 3Å; R413-E415 PolarHBondContact O-N 3.4Å; R413-F416 HydrophobicContact CB-CD2 3.96Å; R413-F416 HydrophobicContact CB-CE2 3.88Å; R413-F416 PolarHBondContact O-N 2.96Å
414	K	97.1	Very high	98.4	Very high	47 Å²	47	38.6 Å²	38.6	20%	0.204	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-54.9	-35.6	177	-75.6	-179.1	177	167.5	0	112.8	D257 E258 I260 F416 L417	D257-K414 WeakPolarHBondContact O-CE 3.18Å; D257-K414 PolarHBondContact O-NZ 2.94Å; E258-K414 PolarHBondContact O-N 3.02Å; I260-K414 HydrophobicContact CB-CG 4.45Å; I260-K414 HydrophobicContact CD1-CG 4.44Å; I260-K414 HydrophobicContact CG1-CG 4.26Å; I260-K414 HydrophobicContact CG2-CD 3.98Å; I260-K414 HydrophobicContact CG2-CG 3.45Å; I260-K414 VanDerWaalsContact CG2-CG 3.45Å; K414-F416 PolarHBondContact O-N 3.19Å; K414-F416 VanDerWaalsContact O-N 3.07Å; K414-L417 WeakPolarHBondContact O-CB 3.25Å; K414-L417 PolarHBondContact O-N 3.43Å; K414-L417 VanDerWaalsContact O-N 3.09Å
415	E	97.4	Very high	98.3	Very high	124 Å²	124	37.4 Å²	37.4	58%	0.579	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-61.3	-18.1	-177.4	71	178.3	167.2	0	0	114.3	R413	R413-E415 HydrophobicContact CB-CG 4.06Å; R413-E415 IonicContact CZ-OE1 3Å; R413-E415 VanDerWaalsContact CZ-OE1 3.32Å; R413-E415 IonicContact NE-OE1 3.1Å; R413-E415 IonicContact NH1-OE1 2.9Å; R413-E415 PolarHBondContact NH1-OE1 3Å; R413-E415 PolarHBondContact O-N 3.4Å
416	F	98.1	Very high	98.3	Very high	25 Å²	25	40.7 Å²	40.7	11%	0.11	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-82.3	-14.6	178.7	-61.4	-41.3	0	0	0	114.1	L303 K306 Q307 Q310 R413 K414	L303-F416 HydrophobicContact CD2-CB 3.69Å; L303-F416 VanDerWaalsContact CD2-O 3.32Å; L303-F416 WeakPolarHBondContact CD2-O 3.29Å; K306-F416 HydrophobicContact CB-CD1 4.21Å; K306-F416 HydrophobicContact CB-CG 4.23Å; K306-F416 HydrophobicContact CD-CB 4.21Å; K306-F416 PolarHBondContact NZ-O 2.95Å; Q307-F416 HydrophobicContact CB-CD2 4.19Å; Q307-F416 HydrophobicContact CB-CE2 3.58Å; Q307-F416 HydrophobicContact CB-CZ 4.4Å; Q307-F416 HydrophobicContact CG-CE2 3.94Å; Q310-F416 HydrophobicContact CB-CZ 4.41Å; Q310-F416 HydrophobicContact CG-CE1 3.95Å; Q310-F416 HydrophobicContact CG-CZ 3.67Å; R413-F416 HydrophobicContact CB-CD2 3.96Å; R413-F416 HydrophobicContact CB-CE2 3.88Å; R413-F416 PolarHBondContact O-N 2.96Å; K414-F416 PolarHBondContact O-N 3.19Å; K414-F416 VanDerWaalsContact O-N 3.07Å
417	L	98.4	Very high	98.2	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.089	23%	0.227	C	C	.	.	S	Bend	trans	-72.8	148	-179.2	-85.1	64.6	0	0	0	110.8	I260 I262 L293 L303 V412 K414 Q421 L422	I260-L417 HydrophobicContact CD1-CD1 3.71Å; I260-L417 HydrophobicContact CD1-CD2 3.27Å; I260-L417 HydrophobicContact CD1-CG 4.11Å; I260-L417 HydrophobicContact CG1-CD1 4.41Å; I262-L417 HydrophobicContact CD1-CD1 4.46Å; L293-L417 HydrophobicContact CD2-CD2 3.86Å; L303-L417 HydrophobicContact CD1-CD1 4.26Å; L303-L417 HydrophobicContact CD2-CD1 4.14Å; V412-L417 HydrophobicContact CG2-CD1 4.24Å; K414-L417 WeakPolarHBondContact O-CB 3.25Å; K414-L417 PolarHBondContact O-N 3.43Å; K414-L417 VanDerWaalsContact O-N 3.09Å; L417-Q421 HydrophobicContact CB-CB 3.94Å; L417-Q421 HydrophobicContact CD2-CB 3.95Å; L417-Q421 HydrophobicContact CG-CB 3.91Å; L417-L422 HydrophobicContact CB-CB 4.44Å
418	T	98.4	Very high	98.2	Very high	52 Å²	52	49.7 Å²	49.7	32%	0.319	26%	0.264	S	S	.	.			trans	-68.8	159.5	165.8	81.8	0	0	0	0	110.3	E420 Q421 L422	T418-E420 VanDerWaalsContact CB-OE2 3.31Å; T418-E420 WeakPolarHBondContact CB-OE2 3.37Å; T418-E420 PolarHBondContact O-N 3.3Å; T418-E420 PolarHBondContact OG1-N 2.86Å; T418-E420 PolarHBondContact OG1-OE2 2.65Å; T418-Q421 PolarHBondContact O-N 3.32Å; T418-Q421 VanDerWaalsContact O-N 3.1Å; T418-Q421 PolarHBondContact OG1-N 3.09Å; T418-L422 PolarHBondContact O-N 2.93Å
419	P	98.3	Very high	98.2	Very high	102 Å²	102	50.1 Å²	50.1	66%	0.662	27%	0.267	S	S	*	.	H	α-helix	trans	-53.3	-35.8	174	-27.9	36.7	0	0	0	113.5	A423	P419-A423 WeakPolarHBondContact O-CB 2.98Å; P419-A423 PolarHBondContact O-N 3.28Å
420	E	98.4	Very high	98.2	Very high	121 Å²	121	53 Å²	53	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-69.7	-42.4	177.4	-58.3	75.6	-165.2	0	0	112.1	M273 T418 A423 A424	M273-E420 HydrophobicContact CE-CB 3.91Å; T418-E420 VanDerWaalsContact CB-OE2 3.31Å; T418-E420 WeakPolarHBondContact CB-OE2 3.37Å; T418-E420 PolarHBondContact O-N 3.3Å; T418-E420 PolarHBondContact OG1-N 2.86Å; T418-E420 PolarHBondContact OG1-OE2 2.65Å; E420-A423 PolarHBondContact O-N 3.05Å; E420-A424 WeakPolarHBondContact O-CB 3.37Å; E420-A424 PolarHBondContact O-N 2.9Å
421	Q	98.6	Very high	98.2	Very high	7 Å²	7	57.3 Å²	57.3	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-41.9	176.5	-71.4	170.7	-14.8	0	0	110.8	M273 L293 L295 D299 L417 T418 A424 F425	M273-Q421 HydrophobicContact CE-CB 4.39Å; M273-Q421 HydrophobicContact CE-CG 3.87Å; M273-Q421 HydrophobicContact SD-CG 3.87Å; L293-Q421 HydrophobicContact CD2-CB 4.02Å; L293-Q421 WeakPolarHBondContact CD2-O 3.23Å; L295-Q421 HydrophobicContact CD1-CG 4.43Å; L295-Q421 HydrophobicContact CD2-CG 4.17Å; D299-Q421 VanDerWaalsContact CG-NE2 3.33Å; D299-Q421 PolarHBondContact OD2-NE2 3.18Å; L417-Q421 HydrophobicContact CB-CB 3.94Å; L417-Q421 HydrophobicContact CD2-CB 3.95Å; L417-Q421 HydrophobicContact CG-CB 3.91Å; T418-Q421 PolarHBondContact O-N 3.32Å; T418-Q421 VanDerWaalsContact O-N 3.1Å; T418-Q421 PolarHBondContact OG1-N 3.09Å; Q421-A424 PolarHBondContact O-N 3.15Å; Q421-F425 PolarHBondContact O-N 2.88Å
422	L	98.3	Very high	98.1	Very high	54 Å²	54	57.8 Å²	57.8	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-62.6	-46.3	176.4	-178.7	61.3	0	0	0	111.1	L417 T418 A424 F425 E426	L417-L422 HydrophobicContact CB-CB 4.44Å; T418-L422 PolarHBondContact O-N 2.93Å; L422-A424 VanDerWaalsContact C-N 3.3Å; L422-A424 PolarHBondContact O-N 2.76Å; L422-F425 PolarHBondContact O-N 2.86Å; L422-F425 VanDerWaalsContact O-N 3.16Å; L422-E426 HydrophobicContact CD1-CG 4.26Å; L422-E426 WeakPolarHBondContact O-CG 3.4Å; L422-E426 PolarHBondContact O-N 2.57Å
423	A	98.5	Very high	98.1	Very high	58 Å²	58	59.5 Å²	59.5	48%	0.479	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-38.7	176	0	0	0	0	0	112.5	P419 E420 E426 A427	P419-A423 WeakPolarHBondContact O-CB 2.98Å; P419-A423 PolarHBondContact O-N 3.28Å; E420-A423 PolarHBondContact O-N 3.05Å; A423-E426 PolarHBondContact O-N 3.31Å; A423-A427 PolarHBondContact O-N 3.23Å; A423-A427 VanDerWaalsContact O-N 3.12Å
424	A	98.5	Very high	98.1	Very high	14 Å²	14	57.6 Å²	57.6	12%	0.116	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-38.5	174.9	0	0	0	0	0	112.5	M273 S275 L293 E420 Q421 L422	M273-A424 HydrophobicContact CB-CB 4.49Å; M273-A424 HydrophobicContact CE-CB 4.19Å; M273-A424 WeakPolarHBondContact O-CB 3.44Å; S275-A424 WeakPolarHBondContact CB-O 3.34Å; S275-A424 PolarHBondContact OG-O 2.91Å; L293-A424 HydrophobicContact CD1-CB 3.71Å; E420-A424 WeakPolarHBondContact O-CB 3.37Å; E420-A424 PolarHBondContact O-N 2.9Å; Q421-A424 PolarHBondContact O-N 3.15Å; L422-A424 VanDerWaalsContact C-N 3.3Å; L422-A424 PolarHBondContact O-N 2.76Å
425	F	98.2	Very high	98	Very high	22 Å²	22	59.6 Å²	59.6	10%	0.096	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-41.7	174	175.4	-101.3	0	0	0	111.7	I260 K291 L293 Q421 L422 A427	I260-F425 HydrophobicContact CB-CD2 4.38Å; I260-F425 HydrophobicContact CB-CE1 4.38Å; I260-F425 HydrophobicContact CB-CE2 3.89Å; I260-F425 HydrophobicContact CB-CZ 3.9Å; I260-F425 HydrophobicContact CD1-CD2 4.2Å; I260-F425 HydrophobicContact CD1-CG 4.17Å; I260-F425 HydrophobicContact CG2-CD1 4.07Å; I260-F425 HydrophobicContact CG2-CD2 4.4Å; I260-F425 HydrophobicContact CG2-CE1 3.45Å; I260-F425 VanDerWaalsContact CG2-CE1 3.45Å; I260-F425 HydrophobicContact CG2-CE2 3.82Å; I260-F425 HydrophobicContact CG2-CZ 3.3Å; K291-F425 HydrophobicContact CB-CE2 4.22Å; K291-F425 HydrophobicContact CD-CD2 4.48Å; K291-F425 HydrophobicContact CD-CE2 3.93Å; K291-F425 HydrophobicContact CD-CZ 4Å; K291-F425 WeakPolarHBondContact CE-O 3.43Å; K291-F425 HydrophobicContact CG-CE2 3.9Å; K291-F425 HydrophobicContact CG-CZ 4.37Å; K291-F425 PolarHBondContact NZ-O 2.83Å; L293-F425 HydrophobicContact CB-CB 4.29Å; L293-F425 HydrophobicContact CB-CD2 4.08Å; L293-F425 HydrophobicContact CD2-CB 4.24Å; Q421-F425 PolarHBondContact O-N 2.88Å; L422-F425 PolarHBondContact O-N 2.86Å; L422-F425 VanDerWaalsContact O-N 3.16Å; F425-A427 VanDerWaalsContact C-N 3.32Å; F425-A427 PolarHBondContact O-N 3.04Å
426	E	97.2	Very high	98.1	Very high	128 Å²	128	54.5 Å²	54.5	60%	0.598	31%	0.305	S	S	*	.	H	α-helix	trans	-72.6	-22.5	-177.3	-73.1	-179.9	168	0	0	113.7	L422 A423	L422-E426 HydrophobicContact CD1-CG 4.26Å; L422-E426 WeakPolarHBondContact O-CG 3.4Å; L422-E426 PolarHBondContact O-N 2.57Å; A423-E426 PolarHBondContact O-N 3.31Å
427	A	97.8	Very high	98.1	Very high	49 Å²	49	54.7 Å²	54.7	41%	0.405	31%	0.308	S	S	.	.	S	Bend	trans	-57	159.4	174.6	0	0	0	0	0	113	S275 K291 A423 F425	S275-A427 PolarHBondContact OG-O 3.07Å; K291-A427 WeakPolarHBondContact CE-O 3.5Å; K291-A427 PolarHBondContact NZ-O 2.58Å; A423-A427 PolarHBondContact O-N 3.23Å; A423-A427 VanDerWaalsContact O-N 3.12Å; F425-A427 VanDerWaalsContact C-N 3.32Å; F425-A427 PolarHBondContact O-N 3.04Å
428	E	97.8	Very high	98	Very high	167 Å²	167	54.2 Å²	54.2	78%	0.78	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-58.6	122.3	175.1	-173.2	62.3	-156.1	0	0	109.9
429	P	98.3	Very high	97.6	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.058	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-71.3	145.9	-175.3	28.9	-33.6	0	0	0	112	S275 T277 V431	S275-P429 WeakPolarHBondContact O-CA 3.4Å; S275-P429 WeakPolarHBondContact OG-CA 3.26Å; T277-P429 HydrophobicContact CG2-CB 4.14Å; T277-P429 HydrophobicContact CG2-CG 3.99Å; P429-V431 PolarHBondContact O-N 3.2Å
430	T	98.6	Very high	97.1	Very high	64 Å²	64	48.1 Å²	48.1	39%	0.393	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.5	166.4	-58.8	0	0	0	0	109	S275 Y276 T277 L432	S275-T430 PolarHBondContact O-N 3.07Å; Y276-T430 WeakPolarHBondContact CA-O 3.26Å; Y276-T430 HydrophobicContact CD1-CG2 4.14Å; Y276-T430 HydrophobicContact CE1-CG2 4.14Å; T277-T430 PolarHBondContact N-O 3.27Å; T430-L432 PolarHBondContact O-N 3.21Å
431	V	98.5	Very high	96.1	Very high	91 Å²	91	44 Å²	44	55%	0.552	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.9	179.3	-175.2	0	0	0	0	109.8	T277 D279 P429	T277-V431 HydrophobicContact CG2-CB 4.27Å; T277-V431 HydrophobicContact CG2-CG1 4.39Å; T277-V431 HydrophobicContact CG2-CG2 3.83Å; D279-V431 HydrophobicContact CB-CG1 3.81Å; P429-V431 PolarHBondContact O-N 3.2Å
432	L	98.5	Very high	94.6	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.063	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	157	175.7	-59	171.8	0	0	0	110.6	K270 Y276 T277 V278 D279 T430 D436 M438	K270-L432 HydrophobicContact CD-CD1 4.41Å; K270-L432 HydrophobicContact CG-CD2 4.35Å; Y276-L432 HydrophobicContact CD1-CD1 4.17Å; Y276-L432 HydrophobicContact CD1-CD2 3.91Å; Y276-L432 HydrophobicContact CD1-CG 4.09Å; Y276-L432 HydrophobicContact CG-CD1 4.36Å; T277-L432 WeakPolarHBondContact O-CB 3.07Å; T277-L432 WeakPolarHBondContact O-CG 3.23Å; T277-L432 PolarHBondContact O-N 3.09Å; V278-L432 HydrophobicContact CG2-CB 4.22Å; V278-L432 HydrophobicContact CG2-CD1 4.19Å; D279-L432 WeakPolarHBondContact CB-O 3.36Å; D279-L432 PolarHBondContact N-O 3.47Å; T430-L432 PolarHBondContact O-N 3.21Å; L432-D436 HydrophobicContact CB-CB 3.9Å; L432-D436 HydrophobicContact CD1-CB 4.47Å; L432-M438 HydrophobicContact CD1-CB 4.45Å
433	A	97.8	Very high	94.4	Very high	37 Å²	37	43.8 Å²	43.8	31%	0.306	25%	0.253	S	S	.	.			trans	-66.1	154.2	178.6	0	0	0	0	0	111.9	V278 W435 D436	V278-A433 WeakPolarHBondContact CG1-O 3.41Å; A433-W435 HydrophobicContact CB-CD2 4.32Å; A433-W435 HydrophobicContact CB-CZ2 3.91Å; A433-W435 PolarHBondContact O-N 2.87Å; A433-D436 WeakPolarHBondContact O-CB 3.17Å; A433-D436 PolarHBondContact O-N 2.92Å
434	P	96.8	Very high	94.2	Very high	10 Å²	10	43 Å²	43	7%	0.065	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.2	-176.8	-24.6	31.9	0	0	0	115.2	F129 D279 M280	F129-P434 HydrophobicContact CD1-CB 3.82Å; F129-P434 HydrophobicContact CE1-CB 3.76Å; F129-P434 WeakPolarHBondContact CE1-O 3.47Å; F129-P434 HydrophobicContact CZ-CB 4.5Å; F129-P434 WeakPolarHBondContact CZ-O 3.45Å; D279-P434 HydrophobicContact CB-CG 4.16Å; D279-P434 WeakPolarHBondContact O-CA 3.17Å; M280-P434 HydrophobicContact CE-CB 3.75Å; M280-P434 HydrophobicContact CE-CG 3.16Å
435	W	96.9	Very high	93.9	Very high	88 Å²	88	44.6 Å²	44.6	33%	0.333	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	13.7	179.2	53.7	71	0	0	0	113.3	R125 E126 F129 A433	R125-W435 HydrophobicContact CB-CH2 4.09Å; R125-W435 HydrophobicContact CB-CZ3 3.95Å; R125-W435 HydrophobicContact CG-CD2 4.44Å; R125-W435 HydrophobicContact CG-CE3 3.85Å; R125-W435 HydrophobicContact CG-CH2 3.84Å; R125-W435 HydrophobicContact CG-CZ2 4.41Å; R125-W435 HydrophobicContact CG-CZ3 3.52Å; E126-W435 HydrophobicContact CG-CH2 4.35Å; E126-W435 HydrophobicContact CG-CZ3 4Å; F129-W435 HydrophobicContact CD2-CB 4.16Å; F129-W435 HydrophobicContact CE2-CB 4.01Å; A433-W435 HydrophobicContact CB-CD2 4.32Å; A433-W435 HydrophobicContact CB-CZ2 3.91Å; A433-W435 PolarHBondContact O-N 2.87Å
436	D	98.2	Very high	93.7	Very high	18 Å²	18	45.9 Å²	45.9	10%	0.096	26%	0.257	C	S	.	.			trans	-61	138.8	174.1	-169.7	-79.7	0	0	0	110.5	K270 L432 A433 M438 G439	K270-D436 VanDerWaalsContact CE-OD1 3.26Å; K270-D436 WeakPolarHBondContact CE-OD1 3.45Å; K270-D436 VanDerWaalsContact CE-OD2 3.28Å; K270-D436 WeakPolarHBondContact CE-OD2 3.35Å; K270-D436 IonicContact NZ-OD1 3.05Å; K270-D436 PolarHBondContact NZ-OD1 2.93Å; K270-D436 IonicContact NZ-OD2 2.79Å; K270-D436 PolarHBondContact NZ-OD2 3.24Å; L432-D436 HydrophobicContact CB-CB 3.9Å; L432-D436 HydrophobicContact CD1-CB 4.47Å; A433-D436 WeakPolarHBondContact O-CB 3.17Å; A433-D436 PolarHBondContact O-N 2.92Å; D436-M438 PolarHBondContact O-N 2.79Å; D436-M438 WeakPolarHBondContact OD1-CB 3.23Å; D436-M438 PolarHBondContact OD1-N 2.83Å; D436-G439 WeakPolarHBondContact O-CA 3.45Å; D436-G439 PolarHBondContact O-N 3.12Å
437	P	97.5	Very high	93.5	Very high	28 Å²	28	40.8 Å²	40.8	18%	0.182	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-62	-21.7	-179.6	24.5	-35.3	0	0	0	114	L354 L360 G439 A440	L354-P437 HydrophobicContact CB-CG 4.39Å; L354-P437 HydrophobicContact CD2-CB 3.93Å; L354-P437 HydrophobicContact CD2-CG 4.12Å; L360-P437 HydrophobicContact CB-CB 4Å; P437-G439 VanDerWaalsContact C-N 3.25Å; P437-A440 WeakPolarHBondContact O-CB 3.45Å; P437-A440 PolarHBondContact O-N 3.07Å
438	M	96.6	Very high	93.2	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.039	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-76.1	-14.7	171.8	-64	-61.4	92.9	0	0	113	Q140 I263 A265 K270 Y292 L354 Y408 L432 D436	Q140-M438 PolarHBondContact NE2-O 2.92Å; I263-M438 HydrophobicContact CD1-CG 4.12Å; I263-M438 HydrophobicContact CD1-SD 4.2Å; A265-M438 HydrophobicContact CB-CG 3.95Å; A265-M438 HydrophobicContact CB-SD 3.73Å; K270-M438 HydrophobicContact CD-CG 4.24Å; Y292-M438 HydrophobicContact CE2-CB 4.4Å; Y292-M438 PolarHBondContact OH-O 3.43Å; Y292-M438 VanDerWaalsContact OH-O 3.1Å; L354-M438 HydrophobicContact CD2-CE 3.55Å; Y408-M438 HydrophobicContact CD1-CE 4.07Å; Y408-M438 HydrophobicContact CG-CE 4.33Å; L432-M438 HydrophobicContact CD1-CB 4.45Å; D436-M438 PolarHBondContact O-N 2.79Å; D436-M438 WeakPolarHBondContact OD1-CB 3.23Å; D436-M438 PolarHBondContact OD1-N 2.83Å
439	G	89.6	Confident	92.9	Very high	10 Å²	10	31.2 Å²	31.2	10%	0.103	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-82.7	2.4	167.8	0	0	0	0	0	114.1	D436 P437 L441	D436-G439 WeakPolarHBondContact O-CA 3.45Å; D436-G439 PolarHBondContact O-N 3.12Å; P437-G439 VanDerWaalsContact C-N 3.25Å; G439-L441 PolarHBondContact O-N 3.26Å
440	A	87.9	Confident	92.4	Very high	15 Å²	15	32.9 Å²	32.9	12%	0.124	20%	0.195	C	C	.	.			trans	-54.7	138.3	175	0	0	0	0	0	110.8	Q140 L360 M361 P437	Q140-A440 PolarHBondContact NE2-O 2.95Å; L360-A440 HydrophobicContact CB-CB 4.42Å; L360-A440 HydrophobicContact CD1-CB 3.75Å; M361-A440 HydrophobicContact CB-CB 4.39Å; M361-A440 VanDerWaalsContact CE-O 3.24Å; M361-A440 WeakPolarHBondContact CE-O 3.4Å; M361-A440 VanDerWaalsContact O-CB 3.26Å; M361-A440 WeakPolarHBondContact O-CB 3.41Å; P437-A440 WeakPolarHBondContact O-CB 3.45Å; P437-A440 PolarHBondContact O-N 3.07Å
441	L	78.4	Confident	91.9	Very high	36 Å²	36	30.3 Å²	30.3	19%	0.188	18%	0.179	C	C	.	.			trans	-103.9	109.6	179.6	-67.8	-169.8	0	0	0	108.3	Q136 Q140 M143 L281 G439	Q136-L441 HydrophobicContact CG-CB 4.41Å; Q136-L441 HydrophobicContact CG-CD1 3.86Å; Q140-L441 HydrophobicContact CG-CD2 3.77Å; M143-L441 HydrophobicContact SD-CD2 4Å; L281-L441 HydrophobicContact CD1-CD1 4.35Å; L281-L441 HydrophobicContact CD1-CD2 3.53Å; L281-L441 HydrophobicContact CD1-CG 4.11Å; G439-L441 PolarHBondContact O-N 3.26Å
442	A	66.6	Low	91.3	Very high	11 Å²	11	24.8 Å²	24.8	9%	0.091	15%	0.145	C	C	.	.			trans	-75.4	0	174.8	0	0	0	0	0	110.6	C69 G138 G139 M361 A364	C69-A442 PolarHBondContact SG-OXT 3.19Å; G138-A442 CarbonylContact C-O 3.58Å; G138-A442 WeakPolarHBondContact CA-O 3.33Å; G139-A442 PolarHBondContact N-O 3.45Å; G139-A442 PolarHBondContact O-N 2.78Å; M361-A442 HydrophobicContact CE-CB 3.92Å; M361-A442 HydrophobicContact CG-CB 4.15Å; M361-A442 HydrophobicContact SD-CB 4.3Å; A364-A442 HydrophobicContact CB-CB 4.14Å

Retrieved 442 of 442 residues in 763.7 ms (Link to these results)

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