A0A087YS54_POEFO Loading...

Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2

O-linked mannose beta-1,4-N-acetylglucosaminyltransferase that transfers UDP-N-acetyl-D-glucosamine to the 4-position of the mannose to generate N-acetyl-D-glucosamine-beta-1,4-O-D-mannosylprotein. Involved in the biosynthesis of the phosphorylated O-mannosyl trisaccharide (N-acetylgalactosamine-beta-3-N-acetylglucosamine-beta-4-(phosphate-6-)mannose), a carbohydrate structure present in alpha-dystroglycan (DAG1), which is required for binding laminin G-like domain-containing extracellular proteins with high affinity.

AlphaFold DB , UniProt , Accession A0A087YS54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 602 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	40.8	Very low	47	Very low	246 Å²	246	147.9 Å²	147.9	100%	1.212	85%	0.847	S	S	*	*				0	118	0	-75.6	175.1	-174.3	0	0	109.1
2	R	38	Very low	48.2	Very low	255 Å²	255	149 Å²	149	96%	0.962	84%	0.835	S	S	*	*			trans	-144.6	124.5	164.2	-96	-173.8	176.5	177.2	-1	107.9
3	A	40.5	Very low	49.3	Very low	106 Å²	106	140.3 Å²	140.3	88%	0.876	80%	0.8	S	S	*	*			trans	-86.4	142.9	174.5	0	0	0	0	0	110.1
4	S	42.6	Very low	50.4	Low	118 Å²	118	134.5 Å²	134.5	83%	0.825	78%	0.777	S	S	*	*			trans	-105.5	124.7	178.2	165	0	0	0	0	109.5
5	V	46	Very low	51.5	Low	143 Å²	143	131.1 Å²	131.1	87%	0.867	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-91.3	116.9	172	175.9	0	0	0	0	108.3
6	A	44.7	Very low	52.9	Low	96 Å²	96	128.2 Å²	128.2	79%	0.793	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-94.9	116.2	173.3	0	0	0	0	0	109.9
7	G	44.7	Very low	54.1	Low	74 Å²	74	126.6 Å²	126.6	76%	0.763	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-82.9	127	173.6	0	0	0	0	0	111.7
8	C	45.5	Very low	55.3	Low	129 Å²	129	121.7 Å²	121.7	87%	0.872	71%	0.705	S	S	*	*			trans	-82.8	115	176.1	-159.5	0	0	0	0	109.8
9	R	54.2	Low	56.5	Low	245 Å²	245	121.3 Å²	121.3	93%	0.925	70%	0.699	S	S	*	*			trans	-91.7	108.1	170.6	-82.5	-175.7	173.7	-177.9	-1.5	109.1
10	M	55.3	Low	57.8	Low	135 Å²	135	120.2 Å²	120.2	67%	0.665	69%	0.69	S	S	*	*			trans	-68.8	134.2	166.4	-88.6	168.8	31.9	0	0	110.4	L15	M10-L15 HydrophobicContact CE-CD1 4Å; M10-L15 HydrophobicContact CE-CD2 3.54Å; M10-L15 HydrophobicContact CE-CG 3.62Å
11	S	64.3	Low	59.1	Low	80 Å²	80	119.1 Å²	119.1	56%	0.559	69%	0.685	S	S	*	*			trans	-64.7	131.4	173.9	165.9	0	0	0	0	110.8	G13 A14 L15	S11-G13 PolarHBondContact O-N 3.36Å; S11-G13 VanDerWaalsContact O-N 3.16Å; S11-G13 PolarHBondContact OG-N 3.41Å; S11-A14 WeakPolarHBondContact O-CB 3.45Å; S11-A14 PolarHBondContact O-N 3.29Å; S11-L15 PolarHBondContact O-N 3.29Å
12	F	62	Low	61	Low	161 Å²	161	111.1 Å²	111.1	71%	0.706	65%	0.654	S	S	*	*	H	α-helix	trans	-55.5	-30.4	177.3	-166.8	-107.2	0	0	0	112.8	L15 I16	F12-L15 PolarHBondContact O-N 3.13Å; F12-I16 HydrophobicContact CD1-CD1 3.63Å; F12-I16 HydrophobicContact CD1-CG1 4.46Å; F12-I16 HydrophobicContact CE1-CD1 3.46Å; F12-I16 VanDerWaalsContact CE1-CD1 3.46Å; F12-I16 HydrophobicContact CE1-CG1 4.36Å; F12-I16 HydrophobicContact CZ-CD1 4.26Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 2.91Å; F12-I16 VanDerWaalsContact O-N 3.14Å
13	G	62.8	Low	63.5	Low	36 Å²	36	102.5 Å²	102.5	37%	0.371	63%	0.629	S	S	.	*	H	α-helix	trans	-68.9	-31.4	175	0	0	0	0	0	114	S11 N17	S11-G13 PolarHBondContact O-N 3.36Å; S11-G13 VanDerWaalsContact O-N 3.16Å; S11-G13 PolarHBondContact OG-N 3.41Å; G13-N17 WeakPolarHBondContact O-CB 3.49Å; G13-N17 PolarHBondContact O-N 3.33Å
14	A	63.8	Low	65.7	Low	59 Å²	59	101.4 Å²	101.4	49%	0.488	61%	0.608	S	S	.	*	H	α-helix	trans	-71.7	-34.5	175.6	0	0	0	0	0	111.7	S11 G18	S11-A14 WeakPolarHBondContact O-CB 3.45Å; S11-A14 PolarHBondContact O-N 3.29Å; A14-G18 PolarHBondContact O-N 3.46Å
15	L	67.6	Low	67.7	Low	83 Å²	83	98.3 Å²	98.3	44%	0.435	59%	0.589	S	S	.	*	H	α-helix	trans	-66.1	-44.5	173.7	-82.7	159.7	0	0	0	111.9	M10 S11 F12 G18 L19	M10-L15 HydrophobicContact CE-CD1 4Å; M10-L15 HydrophobicContact CE-CD2 3.54Å; M10-L15 HydrophobicContact CE-CG 3.62Å; S11-L15 PolarHBondContact O-N 3.29Å; F12-L15 PolarHBondContact O-N 3.13Å; L15-G18 PolarHBondContact O-N 3.04Å; L15-L19 WeakPolarHBondContact O-CB 3.26Å; L15-L19 PolarHBondContact O-N 3.19Å
16	I	73.3	Confident	69.6	Low	85 Å²	85	94.2 Å²	94.2	44%	0.436	57%	0.57	S	S	.	*	H	α-helix	trans	-65.6	-43.7	178	-69	172	0	0	0	111.1	F12 L19 L20	F12-I16 HydrophobicContact CD1-CD1 3.63Å; F12-I16 HydrophobicContact CD1-CG1 4.46Å; F12-I16 HydrophobicContact CE1-CD1 3.46Å; F12-I16 VanDerWaalsContact CE1-CD1 3.46Å; F12-I16 HydrophobicContact CE1-CG1 4.36Å; F12-I16 HydrophobicContact CZ-CD1 4.26Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 2.91Å; F12-I16 VanDerWaalsContact O-N 3.14Å; I16-L19 PolarHBondContact O-N 3.1Å; I16-L20 WeakPolarHBondContact O-CB 3.29Å; I16-L20 PolarHBondContact O-N 3.27Å
17	N	72.8	Confident	71.6	Confident	102 Å²	102	95 Å²	95	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-40.7	177.1	-77.7	-10.6	0	0	0	112.1	G13 L19 L20 V21	G13-N17 WeakPolarHBondContact O-CB 3.49Å; G13-N17 PolarHBondContact O-N 3.33Å; N17-L19 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 2.95Å; N17-L20 PolarHBondContact O-N 2.94Å; N17-V21 WeakPolarHBondContact O-CB 3.49Å; N17-V21 VanDerWaalsContact O-CG2 3.27Å; N17-V21 WeakPolarHBondContact O-CG2 3.37Å; N17-V21 PolarHBondContact O-N 3.32Å
18	G	75.8	Confident	73.5	Confident	37 Å²	37	96.6 Å²	96.6	38%	0.381	55%	0.551	S	S	.	*	H	α-helix	trans	-62.1	-40.5	175	0	0	0	0	0	112.9	A14 L15 S22	A14-G18 PolarHBondContact O-N 3.46Å; L15-G18 PolarHBondContact O-N 3.04Å; G18-S22 WeakPolarHBondContact O-CB 3.22Å; G18-S22 PolarHBondContact O-N 3.15Å; G18-S22 VanDerWaalsContact O-N 3.09Å; G18-S22 PolarHBondContact O-OG 3.22Å
19	L	79.1	Confident	75.5	Confident	114 Å²	114	99 Å²	99	60%	0.597	54%	0.542	S	S	*	.	H	α-helix	trans	-65.1	-45.4	174.2	-105.3	150.3	0	0	0	111.9	L15 I16 N17 S22 V23	L15-L19 WeakPolarHBondContact O-CB 3.26Å; L15-L19 PolarHBondContact O-N 3.19Å; I16-L19 PolarHBondContact O-N 3.1Å; N17-L19 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 2.95Å; L19-S22 PolarHBondContact O-N 3.43Å; L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.42Å; L19-V23 PolarHBondContact O-N 3.1Å
20	L	82.3	Confident	77.1	Confident	99 Å²	99	93.6 Å²	93.6	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-62.9	-45.5	179.8	-174.8	65.7	0	0	0	111.8	I16 N17 S22 V23 I24	I16-L20 WeakPolarHBondContact O-CB 3.29Å; I16-L20 PolarHBondContact O-N 3.27Å; N17-L20 PolarHBondContact O-N 2.94Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 2.77Å; L20-V23 PolarHBondContact O-N 3.37Å; L20-I24 HydrophobicContact CD1-CD1 4.24Å; L20-I24 HydrophobicContact CG-CD1 3.95Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.39Å; L20-I24 PolarHBondContact O-N 3.27Å
21	V	84.1	Confident	78.7	Confident	98 Å²	98	95 Å²	95	59%	0.594	52%	0.524	S	S	*	.	H	α-helix	trans	-61.1	-41.4	175.9	171.8	0	0	0	0	110.9	N17 I24 A25	N17-V21 WeakPolarHBondContact O-CB 3.49Å; N17-V21 VanDerWaalsContact O-CG2 3.27Å; N17-V21 WeakPolarHBondContact O-CG2 3.37Å; N17-V21 PolarHBondContact O-N 3.32Å; V21-I24 PolarHBondContact O-N 3.05Å; V21-A25 VanDerWaalsContact O-CB 3.3Å; V21-A25 WeakPolarHBondContact O-CB 3.35Å; V21-A25 PolarHBondContact O-N 2.82Å
22	S	82.4	Confident	79.6	Confident	78 Å²	78	93.8 Å²	93.8	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-39.6	178.4	-57.7	0	0	0	0	112.3	G18 L19 L20 A26	G18-S22 WeakPolarHBondContact O-CB 3.22Å; G18-S22 PolarHBondContact O-N 3.15Å; G18-S22 VanDerWaalsContact O-N 3.09Å; G18-S22 PolarHBondContact O-OG 3.22Å; L19-S22 PolarHBondContact O-N 3.43Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 2.77Å; S22-A26 WeakPolarHBondContact O-CB 3.34Å; S22-A26 PolarHBondContact O-N 2.96Å
23	V	88.7	Confident	80.8	Confident	75 Å²	75	91.2 Å²	91.2	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-68	-44	176.6	171.6	0	0	0	0	111.1	L19 L20 A26 L27	L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.42Å; L19-V23 PolarHBondContact O-N 3.1Å; L20-V23 PolarHBondContact O-N 3.37Å; V23-A26 PolarHBondContact O-N 2.84Å; V23-L27 HydrophobicContact CG1-CD1 4.09Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.81Å
24	I	88	Confident	81.7	Confident	83 Å²	83	94.6 Å²	94.6	43%	0.426	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-44.8	176.4	-68.5	169.5	0	0	0	110.5	L20 V21 A26 L27 L28	L20-I24 HydrophobicContact CD1-CD1 4.24Å; L20-I24 HydrophobicContact CG-CD1 3.95Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.39Å; L20-I24 PolarHBondContact O-N 3.27Å; V21-I24 PolarHBondContact O-N 3.05Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 3.4Å; I24-L27 PolarHBondContact O-N 2.92Å; I24-L28 HydrophobicContact CG2-CD1 3.86Å; I24-L28 HydrophobicContact CG2-CG 4.31Å; I24-L28 WeakPolarHBondContact O-CB 3.15Å; I24-L28 WeakPolarHBondContact O-CG 3.44Å; I24-L28 PolarHBondContact O-N 3.35Å
25	A	83.4	Confident	82.4	Confident	53 Å²	53	94.8 Å²	94.8	44%	0.438	51%	0.511	S	S	.	.	H	α-helix	trans	-61.1	-41.5	176.8	0	0	0	0	0	112.1	V21 L28 W29	V21-A25 VanDerWaalsContact O-CB 3.3Å; V21-A25 WeakPolarHBondContact O-CB 3.35Å; V21-A25 PolarHBondContact O-N 2.82Å; A25-L28 PolarHBondContact O-N 2.89Å; A25-W29 WeakPolarHBondContact O-CB 3.3Å; A25-W29 PolarHBondContact O-N 3.38Å
26	A	86.4	Confident	83	Confident	56 Å²	56	95.8 Å²	95.8	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-38.6	176.3	0	0	0	0	0	112.5	S22 V23 I24 K30	S22-A26 WeakPolarHBondContact O-CB 3.34Å; S22-A26 PolarHBondContact O-N 2.96Å; V23-A26 PolarHBondContact O-N 2.84Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 3.4Å; A26-K30 WeakPolarHBondContact O-CB 3.39Å; A26-K30 PolarHBondContact O-N 3.46Å
27	L	86.8	Confident	83	Confident	112 Å²	112	97.1 Å²	97.1	59%	0.586	52%	0.518	S	S	*	.	H	α-helix	trans	-66.8	-44	175.1	-73.7	171.1	0	0	0	111.8	V23 I24 K30 Y31	V23-L27 HydrophobicContact CG1-CD1 4.09Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.81Å; I24-L27 PolarHBondContact O-N 2.92Å; L27-K30 PolarHBondContact O-N 2.87Å; L27-Y31 WeakPolarHBondContact O-CB 3.39Å; L27-Y31 PolarHBondContact O-N 3.46Å
28	L	85.9	Confident	83.1	Confident	109 Å²	109	94.6 Å²	94.6	57%	0.571	51%	0.511	S	S	*	.	H	α-helix	trans	-63.5	-42	176.2	-73.1	172.1	0	0	0	111.8	I24 A25 Y31 S32	I24-L28 HydrophobicContact CG2-CD1 3.86Å; I24-L28 HydrophobicContact CG2-CG 4.31Å; I24-L28 WeakPolarHBondContact O-CB 3.15Å; I24-L28 WeakPolarHBondContact O-CG 3.44Å; I24-L28 PolarHBondContact O-N 3.35Å; A25-L28 PolarHBondContact O-N 2.89Å; L28-Y31 PolarHBondContact O-N 2.91Å; L28-S32 WeakPolarHBondContact O-CB 3.14Å; L28-S32 PolarHBondContact O-N 2.94Å
29	W	87.3	Confident	82.7	Confident	178 Å²	178	95.4 Å²	95.4	67%	0.674	51%	0.514	S	S	*	.	H	α-helix	trans	-63.5	-43.6	175.4	180	69.9	0	0	0	111.9	A25 S32 K33	A25-W29 WeakPolarHBondContact O-CB 3.3Å; A25-W29 PolarHBondContact O-N 3.38Å; W29-S32 PolarHBondContact O-N 3.36Å; W29-K33 HydrophobicContact CZ2-CG 4.39Å; W29-K33 PolarHBondContact O-N 2.82Å
30	K	86.9	Confident	82.2	Confident	132 Å²	132	92.3 Å²	92.3	57%	0.574	50%	0.502	S	S	*	.	H	α-helix	trans	-65.7	-40.1	176.7	-170.2	174.8	-178.7	-179.6	0	112	A26 L27 K33 L34	A26-K30 WeakPolarHBondContact O-CB 3.39Å; A26-K30 PolarHBondContact O-N 3.46Å; L27-K30 PolarHBondContact O-N 2.87Å; K30-K33 PolarHBondContact O-N 3.07Å; K30-L34 HydrophobicContact CG-CD1 4.21Å; K30-L34 WeakPolarHBondContact O-CB 3.23Å; K30-L34 WeakPolarHBondContact O-CG 3.47Å; K30-L34 PolarHBondContact O-N 3.44Å
31	Y	88.4	Confident	81.4	Confident	166 Å²	166	91.7 Å²	91.7	65%	0.651	50%	0.499	S	S	*	.	H	α-helix	trans	-61.9	-48	174	177.2	-95.3	0	0	0	111.3	L27 L28 K33 L34 S35	L27-Y31 WeakPolarHBondContact O-CB 3.39Å; L27-Y31 PolarHBondContact O-N 3.46Å; L28-Y31 PolarHBondContact O-N 2.91Å; Y31-K33 VanDerWaalsContact C-N 3.35Å; Y31-K33 PolarHBondContact O-N 3.21Å; Y31-L34 PolarHBondContact O-N 2.65Å; Y31-S35 WeakPolarHBondContact O-CB 3.49Å; Y31-S35 PolarHBondContact O-N 3.29Å
32	S	84.4	Confident	80.8	Confident	54 Å²	54	93.8 Å²	93.8	38%	0.378	50%	0.502	S	S	.	.	H	α-helix	trans	-57.2	-46.1	175.3	166.3	0	0	0	0	111.6	L28 W29 L34 S35 E36	L28-S32 WeakPolarHBondContact O-CB 3.14Å; L28-S32 PolarHBondContact O-N 2.94Å; W29-S32 PolarHBondContact O-N 3.36Å; S32-L34 PolarHBondContact O-N 2.65Å; S32-S35 WeakPolarHBondContact O-CB 3.47Å; S32-S35 PolarHBondContact O-N 3.18Å; S32-E36 WeakPolarHBondContact O-CG 3.18Å; S32-E36 PolarHBondContact O-N 3.36Å
33	K	86.6	Confident	80.2	Confident	107 Å²	107	96.5 Å²	96.5	47%	0.465	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-39.4	176.5	-91.1	-73.8	166.2	-143.1	0	113.7	W29 K30 Y31 E36 H37	W29-K33 HydrophobicContact CZ2-CG 4.39Å; W29-K33 PolarHBondContact O-N 2.82Å; K30-K33 PolarHBondContact O-N 3.07Å; Y31-K33 VanDerWaalsContact C-N 3.35Å; Y31-K33 PolarHBondContact O-N 3.21Å; K33-E36 IonicContact NZ-OE2 3.53Å; K33-E36 PolarHBondContact NZ-OE2 2.79Å; K33-H37 WeakPolarHBondContact O-CB 2.94Å; K33-H37 PolarHBondContact O-N 3.06Å
34	L	81.2	Confident	79.1	Confident	106 Å²	106	98.7 Å²	98.7	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-68	-39.1	175.6	-79.6	164.8	0	0	0	111.6	K30 Y31 S32 H37 A38	K30-L34 HydrophobicContact CG-CD1 4.21Å; K30-L34 WeakPolarHBondContact O-CB 3.23Å; K30-L34 WeakPolarHBondContact O-CG 3.47Å; K30-L34 PolarHBondContact O-N 3.44Å; Y31-L34 PolarHBondContact O-N 2.65Å; S32-L34 PolarHBondContact O-N 2.65Å; L34-H37 PolarHBondContact O-N 3.47Å; L34-A38 WeakPolarHBondContact O-CB 3.4Å; L34-A38 PolarHBondContact O-N 3.42Å
35	S	79.5	Confident	78.3	Confident	64 Å²	64	99.7 Å²	99.7	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-64	-43.7	175.3	-168.8	0	0	0	0	111.7	Y31 S32 H37 A38 A39	Y31-S35 WeakPolarHBondContact O-CB 3.49Å; Y31-S35 PolarHBondContact O-N 3.29Å; S32-S35 WeakPolarHBondContact O-CB 3.47Å; S32-S35 PolarHBondContact O-N 3.18Å; S35-H37 VanDerWaalsContact C-N 3.34Å; S35-H37 PolarHBondContact O-N 3.38Å; S35-A38 PolarHBondContact O-N 2.89Å; S35-A39 WeakPolarHBondContact O-CB 3.46Å; S35-A39 PolarHBondContact O-N 2.87Å
36	E	79.1	Confident	77.5	Confident	103 Å²	103	98.9 Å²	98.9	48%	0.481	50%	0.504	S	S	.	.	H	α-helix	trans	-60.2	-43.5	173.7	-75.3	176.4	179.5	0	0	111.5	S32 K33 A39 S40	S32-E36 WeakPolarHBondContact O-CG 3.18Å; S32-E36 PolarHBondContact O-N 3.36Å; K33-E36 IonicContact NZ-OE2 3.53Å; K33-E36 PolarHBondContact NZ-OE2 2.79Å; E36-A39 PolarHBondContact O-N 2.91Å; E36-S40 PolarHBondContact O-N 3.21Å
37	H	73.8	Confident	76.3	Confident	114 Å²	114	97.8 Å²	97.8	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-70.2	-38	-179.6	-168.1	52.6	0	0	0	112.6	K33 L34 S35 S40 L41	K33-H37 WeakPolarHBondContact O-CB 2.94Å; K33-H37 PolarHBondContact O-N 3.06Å; L34-H37 PolarHBondContact O-N 3.47Å; S35-H37 VanDerWaalsContact C-N 3.34Å; S35-H37 PolarHBondContact O-N 3.38Å; H37-S40 PolarHBondContact O-N 3Å; H37-L41 PolarHBondContact O-N 3.21Å
38	A	74.6	Confident	75.1	Confident	48 Å²	48	95.7 Å²	95.7	40%	0.397	48%	0.482	S	S	.	.	H	α-helix	trans	-62.4	-45.3	173.8	0	0	0	0	0	111.3	L34 S35 S40 L41 E42	L34-A38 WeakPolarHBondContact O-CB 3.4Å; L34-A38 PolarHBondContact O-N 3.42Å; S35-A38 PolarHBondContact O-N 2.89Å; A38-S40 VanDerWaalsContact C-N 3.32Å; A38-S40 PolarHBondContact O-N 2.87Å; A38-L41 PolarHBondContact O-N 3.43Å; A38-E42 WeakPolarHBondContact O-CG 3.44Å; A38-E42 PolarHBondContact O-N 3.32Å
39	A	68.3	Low	74.1	Confident	54 Å²	54	95.8 Å²	95.8	45%	0.446	48%	0.479	S	S	.	.	H	α-helix	trans	-59.7	-42.3	175.3	0	0	0	0	0	112.1	S35 E36 E42 E43	S35-A39 WeakPolarHBondContact O-CB 3.46Å; S35-A39 PolarHBondContact O-N 2.87Å; E36-A39 PolarHBondContact O-N 2.91Å; A39-E42 PolarHBondContact O-N 2.86Å; A39-E43 WeakPolarHBondContact O-CB 3.44Å; A39-E43 PolarHBondContact O-N 3.34Å
40	S	67.1	Low	72.9	Confident	50 Å²	50	87.5 Å²	87.5	35%	0.35	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-40.3	175.7	173.1	0	0	0	0	113	E36 H37 A38 E43 E44	E36-S40 PolarHBondContact O-N 3.21Å; H37-S40 PolarHBondContact O-N 3Å; A38-S40 VanDerWaalsContact C-N 3.32Å; A38-S40 PolarHBondContact O-N 2.87Å; S40-E43 PolarHBondContact O-N 3.45Å; S40-E44 WeakPolarHBondContact O-CG 3.39Å; S40-E44 PolarHBondContact O-N 3.47Å
41	L	66.3	Low	71.6	Confident	86 Å²	86	84.3 Å²	84.3	45%	0.45	44%	0.442	S	S	.	.	H	α-helix	trans	-69	-38.1	176.7	-83.4	161	0	0	0	112.3	H37 A38 E43 E44 L45	H37-L41 PolarHBondContact O-N 3.21Å; A38-L41 PolarHBondContact O-N 3.43Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-E44 PolarHBondContact O-N 2.58Å; L41-L45 WeakPolarHBondContact O-CB 3.31Å; L41-L45 PolarHBondContact O-N 3.38Å
42	E	71.9	Confident	70.2	Confident	141 Å²	141	82.4 Å²	82.4	66%	0.659	44%	0.437	S	S	*	.	H	α-helix	trans	-62.7	-42.7	172.8	-77.3	178.1	175	0	0	111	A38 A39 L45 H46	A38-E42 WeakPolarHBondContact O-CG 3.44Å; A38-E42 PolarHBondContact O-N 3.32Å; A39-E42 PolarHBondContact O-N 2.86Å; E42-L45 PolarHBondContact O-N 3.15Å; E42-H46 VanDerWaalsContact O-CB 3.25Å; E42-H46 WeakPolarHBondContact O-CB 3.44Å; E42-H46 PolarHBondContact O-N 2.85Å
43	E	69.4	Low	69.3	Low	135 Å²	135	81.9 Å²	81.9	63%	0.631	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-46.8	174.7	-169.5	177	-171.2	0	0	111.6	A39 S40 L41 L45 H46 M47	A39-E43 WeakPolarHBondContact O-CB 3.44Å; A39-E43 PolarHBondContact O-N 3.34Å; S40-E43 PolarHBondContact O-N 3.45Å; L41-E43 VanDerWaalsContact C-N 3.34Å; E43-L45 PolarHBondContact O-N 3.33Å; E43-H46 PolarHBondContact O-N 2.85Å; E43-M47 WeakPolarHBondContact O-CB 3.49Å; E43-M47 VanDerWaalsContact O-CG 3.25Å; E43-M47 WeakPolarHBondContact O-CG 3.16Å; E43-M47 PolarHBondContact O-N 3.12Å
44	E	66.1	Low	68	Low	122 Å²	122	77.8 Å²	77.8	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-62.1	-42.7	176.3	-76.8	-173.7	177	0	0	112.8	S40 L41 T48	S40-E44 WeakPolarHBondContact O-CG 3.39Å; S40-E44 PolarHBondContact O-N 3.47Å; L41-E44 PolarHBondContact O-N 2.58Å; E44-T48 WeakPolarHBondContact O-CB 3.29Å; E44-T48 PolarHBondContact O-N 3.38Å; E44-T48 PolarHBondContact O-OG1 3.34Å
45	L	70.6	Confident	66.7	Low	103 Å²	103	76.7 Å²	76.7	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-44.8	177.5	-179.3	64.4	0	0	0	110.8	L41 E42 E43 T48 Q49	L41-L45 WeakPolarHBondContact O-CB 3.31Å; L41-L45 PolarHBondContact O-N 3.38Å; E42-L45 PolarHBondContact O-N 3.15Å; E43-L45 PolarHBondContact O-N 3.33Å; L45-T48 PolarHBondContact O-N 2.84Å; L45-Q49 WeakPolarHBondContact O-CG 3.26Å; L45-Q49 PolarHBondContact O-N 3.48Å
46	H	66.5	Low	65.3	Low	36 Å²	36	80.9 Å²	80.9	17%	0.167	43%	0.426	C	S	.	.	H	α-helix	trans	-64.2	-46.4	178.7	-173.7	-106.3	0	0	0	111.5	E42 E43 T48 Q49 Q50 E207 R215	E42-H46 VanDerWaalsContact O-CB 3.25Å; E42-H46 WeakPolarHBondContact O-CB 3.44Å; E42-H46 PolarHBondContact O-N 2.85Å; E43-H46 PolarHBondContact O-N 2.85Å; H46-T48 VanDerWaalsContact C-N 3.28Å; H46-T48 PolarHBondContact O-N 2.83Å; H46-Q49 PolarHBondContact O-N 2.91Å; H46-Q49 VanDerWaalsContact O-N 3.13Å; H46-Q50 PolarHBondContact CE1-NE2 3.5Å; H46-Q50 WeakPolarHBondContact O-CG 3.38Å; H46-Q50 PolarHBondContact O-N 2.82Å; H46-E207 IonicContact CE1-OE1 2.66Å; H46-E207 PolarHBondContact CE1-OE1 3.08Å; H46-E207 IonicContact ND1-OE1 3.72Å; H46-R215 PolarHBondContact NE2-NH2 3.41Å
47	M	61.8	Low	64.3	Low	34 Å²	34	77.8 Å²	77.8	17%	0.167	42%	0.418	C	S	.	.	H	α-helix	trans	-58.8	-40	174.4	-74.4	-59.3	-53.6	0	0	112	E43 S51 Q227 N230 F231	E43-M47 WeakPolarHBondContact O-CB 3.49Å; E43-M47 VanDerWaalsContact O-CG 3.25Å; E43-M47 WeakPolarHBondContact O-CG 3.16Å; E43-M47 PolarHBondContact O-N 3.12Å; M47-S51 WeakPolarHBondContact O-CB 3.33Å; M47-S51 PolarHBondContact O-N 3.01Å; M47-Q227 HydrophobicContact SD-CG 4.04Å; M47-N230 HydrophobicContact CE-CB 3.69Å; M47-N230 WeakPolarHBondContact CE-ND2 3.32Å; M47-F231 HydrophobicContact CE-CZ 4.36Å
48	T	60.7	Low	63.7	Low	68 Å²	68	83.9 Å²	83.9	42%	0.417	44%	0.436	S	S	.	.	H	α-helix	trans	-66.6	-38.9	176.7	-58.3	0	0	0	0	111.8	E44 L45 H46 K52	E44-T48 WeakPolarHBondContact O-CB 3.29Å; E44-T48 PolarHBondContact O-N 3.38Å; E44-T48 PolarHBondContact O-OG1 3.34Å; L45-T48 PolarHBondContact O-N 2.84Å; H46-T48 VanDerWaalsContact C-N 3.28Å; H46-T48 PolarHBondContact O-N 2.83Å; T48-K52 HydrophobicContact CG2-CD 4.38Å; T48-K52 WeakPolarHBondContact O-CB 3.41Å; T48-K52 VanDerWaalsContact O-CG 3.29Å; T48-K52 WeakPolarHBondContact O-CG 3.36Å; T48-K52 PolarHBondContact O-N 2.86Å; T48-K52 VanDerWaalsContact O-N 3.09Å
49	Q	65.6	Low	63.9	Low	111 Å²	111	84.3 Å²	84.3	52%	0.519	43%	0.431	S	S	.	.	H	α-helix	trans	-67	-45.6	175.9	-74.1	174.6	-4.8	0	0	111.5	L45 H46 K52 E53	L45-Q49 WeakPolarHBondContact O-CG 3.26Å; L45-Q49 PolarHBondContact O-N 3.48Å; H46-Q49 PolarHBondContact O-N 2.91Å; H46-Q49 VanDerWaalsContact O-N 3.13Å; Q49-K52 WeakPolarHBondContact O-CB 3.44Å; Q49-K52 PolarHBondContact O-N 2.85Å; Q49-E53 PolarHBondContact O-N 3.35Å
50	Q	62.6	Low	64.7	Low	4 Å²	4	86.2 Å²	86.2	2%	0.019	43%	0.434	C	S	.	.	H	α-helix	trans	-62.5	-44.1	177	-73.6	-173.8	-21.7	0	0	112.4	H46 K52 E53 L54 Q221 F231	H46-Q50 PolarHBondContact CE1-NE2 3.5Å; H46-Q50 WeakPolarHBondContact O-CG 3.38Å; H46-Q50 PolarHBondContact O-N 2.82Å; Q50-K52 VanDerWaalsContact C-N 3.31Å; Q50-K52 PolarHBondContact O-N 3.37Å; Q50-E53 PolarHBondContact O-N 3.27Å; Q50-L54 PolarHBondContact O-N 3.4Å; Q50-Q221 HydrophobicContact CG-CB 4.23Å; Q50-F231 HydrophobicContact CB-CZ 4.41Å
51	S	60.1	Low	65.8	Low	65 Å²	65	87.5 Å²	87.5	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-60.8	-40.7	175.4	-178.8	0	0	0	0	111.7	M47 S55	M47-S51 WeakPolarHBondContact O-CB 3.33Å; M47-S51 PolarHBondContact O-N 3.01Å; S51-S55 WeakPolarHBondContact O-CB 3.19Å; S51-S55 PolarHBondContact O-N 3.34Å; S51-S55 PolarHBondContact O-OG 3.34Å
52	K	59.1	Low	67	Low	125 Å²	125	90.1 Å²	90.1	54%	0.543	44%	0.441	S	S	.	.	H	α-helix	trans	-64.8	-42.1	174.2	-77.6	174.8	-178.8	176.1	0	112.2	T48 Q49 Q50 S55 Q56	T48-K52 HydrophobicContact CG2-CD 4.38Å; T48-K52 WeakPolarHBondContact O-CB 3.41Å; T48-K52 VanDerWaalsContact O-CG 3.29Å; T48-K52 WeakPolarHBondContact O-CG 3.36Å; T48-K52 PolarHBondContact O-N 2.86Å; T48-K52 VanDerWaalsContact O-N 3.09Å; Q49-K52 WeakPolarHBondContact O-CB 3.44Å; Q49-K52 PolarHBondContact O-N 2.85Å; Q50-K52 VanDerWaalsContact C-N 3.31Å; Q50-K52 PolarHBondContact O-N 3.37Å; K52-S55 WeakPolarHBondContact CA-OG 3.42Å; K52-S55 PolarHBondContact O-N 3.38Å; K52-S55 PolarHBondContact O-OG 3.37Å; K52-Q56 WeakPolarHBondContact O-CG 3.39Å; K52-Q56 PolarHBondContact O-N 2.72Å
53	E	63.8	Low	68	Low	43 Å²	43	87.1 Å²	87.1	20%	0.201	43%	0.432	C	S	.	.	H	α-helix	trans	-63	-47.6	178	-165.1	-166.1	136.4	0	0	111.6	Q49 Q50 S55 Q56 R198 K220	Q49-E53 PolarHBondContact O-N 3.35Å; Q50-E53 PolarHBondContact O-N 3.27Å; E53-S55 PolarHBondContact O-N 2.74Å; E53-Q56 PolarHBondContact O-N 3.47Å; E53-R198 IonicContact OE1-CZ 2.7Å; E53-R198 IonicContact OE1-NH1 3.7Å; E53-R198 PolarHBondContact OE1-NH1 3.3Å; E53-R198 VanDerWaalsContact OE1-NH1 3.08Å; E53-R198 IonicContact OE1-NH2 2.63Å; E53-R198 PolarHBondContact OE1-NH2 3.26Å; E53-R198 IonicContact OE2-NH1 2.7Å; E53-K220 VanDerWaalsContact OE1-CD 3.31Å; E53-K220 WeakPolarHBondContact OE1-CD 3.46Å
54	L	60	Low	69.1	Low	22 Å²	22	80.8 Å²	80.8	12%	0.115	40%	0.403	C	S	.	.	H	α-helix	trans	-60.7	-33	175.5	-151	94	0	0	0	111.6	Q50 V157 F231	Q50-L54 PolarHBondContact O-N 3.4Å; L54-V157 HydrophobicContact CD1-CG1 4.37Å; L54-F231 HydrophobicContact CD2-CD1 4.43Å
55	S	54.4	Low	70.5	Confident	83 Å²	83	76.4 Å²	76.4	58%	0.58	38%	0.383	S	S	*	.	H	α-helix	trans	-76.3	-21.6	176.7	80.7	0	0	0	0	114.4	S51 K52 E53	S51-S55 WeakPolarHBondContact O-CB 3.19Å; S51-S55 PolarHBondContact O-N 3.34Å; S51-S55 PolarHBondContact O-OG 3.34Å; K52-S55 WeakPolarHBondContact CA-OG 3.42Å; K52-S55 PolarHBondContact O-N 3.38Å; K52-S55 PolarHBondContact O-OG 3.37Å; E53-S55 PolarHBondContact O-N 2.74Å
56	Q	50.6	Low	71.6	Confident	152 Å²	152	76.1 Å²	76.1	71%	0.71	38%	0.379	S	S	*	.	H	α-helix	trans	-78.7	-30	-178.2	-81.8	173.5	-1.8	0	0	112.4	K52 E53 R58	K52-Q56 WeakPolarHBondContact O-CG 3.39Å; K52-Q56 PolarHBondContact O-N 2.72Å; E53-Q56 PolarHBondContact O-N 3.47Å; Q56-R58 PolarHBondContact O-N 3.28Å; Q56-R58 VanDerWaalsContact O-N 3.11Å
57	A	57	Low	72.9	Confident	37 Å²	37	75.6 Å²	75.6	31%	0.306	38%	0.38	S	S	.	.	S	Bend	trans	-75.3	96.5	170.4	0	0	0	0	0	109.7	I59 P158	A57-I59 PolarHBondContact O-N 2.69Å; A57-P158 HydrophobicContact CB-CB 4.11Å; A57-P158 HydrophobicContact CB-CG 3.36Å
58	R	60.6	Low	74.5	Confident	242 Å²	242	74 Å²	74	91%	0.913	37%	0.372	S	S	*	.			trans	-70.7	100.4	-178.7	-77.9	-176.3	177.1	176.1	-0.2	111.1	Q56	Q56-R58 PolarHBondContact O-N 3.28Å; Q56-R58 VanDerWaalsContact O-N 3.11Å
59	I	78.9	Confident	76.1	Confident	58 Å²	58	74.7 Å²	74.7	30%	0.297	37%	0.37	S	S	.	.			trans	-91	134.8	157.2	-170.4	165.4	0	0	0	110.2	A57 Y61 A64 F156 P158 T238	A57-I59 PolarHBondContact O-N 2.69Å; I59-Y61 PolarHBondContact O-N 3.4Å; I59-A64 HydrophobicContact CD1-CB 3.63Å; I59-A64 HydrophobicContact CG1-CB 3.96Å; I59-F156 HydrophobicContact CD1-CB 3.95Å; I59-F156 HydrophobicContact CD1-CG 4.43Å; I59-F156 HydrophobicContact CG2-CB 4.16Å; I59-P158 HydrophobicContact CB-CB 4.08Å; I59-P158 HydrophobicContact CG2-CB 4.35Å; I59-T238 HydrophobicContact CD1-CG2 3.26Å
60	D	86.4	Confident	77.5	Confident	93 Å²	93	74.4 Å²	74.4	50%	0.497	37%	0.369	S	S	.	.			trans	-70.8	104.1	168.1	-173.3	-36.4	0	0	0	108.5	H62 V63 A64	D60-H62 PolarHBondContact O-N 3.14Å; D60-H62 PolarHBondContact OD1-N 2.96Å; D60-V63 HydrophobicContact CB-CB 3.96Å; D60-V63 HydrophobicContact CB-CG2 3.91Å; D60-V63 VanDerWaalsContact CG-CG2 3.47Å; D60-V63 PolarHBondContact O-N 2.89Å; D60-V63 PolarHBondContact OD1-N 3.26Å; D60-V63 VanDerWaalsContact OD1-N 3.16Å; D60-A64 WeakPolarHBondContact O-CB 3.44Å; D60-A64 PolarHBondContact O-N 3.4Å
61	Y	89.6	Confident	79	Confident	78 Å²	78	77.3 Å²	77.3	31%	0.306	38%	0.382	S	S	.	.	H	α-helix	trans	-53.7	-42.1	-178.6	177.7	-95.2	0	0	0	112.6	I59 A64 L65 P154 F156	I59-Y61 PolarHBondContact O-N 3.4Å; Y61-A64 PolarHBondContact O-N 3.16Å; Y61-L65 HydrophobicContact CE1-CB 4.5Å; Y61-L65 HydrophobicContact CE1-CD2 3.91Å; Y61-L65 VanDerWaalsContact O-CB 3.26Å; Y61-L65 WeakPolarHBondContact O-CB 3.49Å; Y61-L65 PolarHBondContact O-N 3.37Å; Y61-P154 WeakPolarHBondContact CE2-O 3.43Å; Y61-F156 AromaticContact CD2-CD2 3.99Å; Y61-F156 HydrophobicContact CD2-CD2 3.99Å; Y61-F156 HydrophobicContact CD2-CE2 4.13Å; Y61-F156 HydrophobicContact CE2-CD2 4.16Å; Y61-F156 HydrophobicContact CE2-CE2 4.01Å
62	H	91.1	Very high	80.7	Confident	141 Å²	141	74.3 Å²	74.3	65%	0.653	36%	0.361	S	S	*	.	H	α-helix	trans	-70	-41.1	-176.4	-71.7	-69.1	0	0	0	110.8	D60 Q66	D60-H62 PolarHBondContact O-N 3.14Å; D60-H62 PolarHBondContact OD1-N 2.96Å; H62-Q66 VanDerWaalsContact O-CB 3.23Å; H62-Q66 WeakPolarHBondContact O-CB 3.41Å; H62-Q66 PolarHBondContact O-N 3.34Å
63	V	92.7	Very high	82.5	Confident	77 Å²	77	68.3 Å²	68.3	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-42.5	175.7	176.1	0	0	0	0	111.5	D60 Q66 S67	D60-V63 HydrophobicContact CB-CB 3.96Å; D60-V63 HydrophobicContact CB-CG2 3.91Å; D60-V63 VanDerWaalsContact CG-CG2 3.47Å; D60-V63 PolarHBondContact O-N 2.89Å; D60-V63 PolarHBondContact OD1-N 3.26Å; D60-V63 VanDerWaalsContact OD1-N 3.16Å; V63-Q66 PolarHBondContact O-N 2.94Å; V63-S67 VanDerWaalsContact O-CB 3.31Å; V63-S67 WeakPolarHBondContact O-CB 3.34Å; V63-S67 PolarHBondContact O-N 3.48Å; V63-S67 PolarHBondContact O-OG 3.32Å
64	A	93.8	Very high	84	Confident	2 Å²	2	70.7 Å²	70.7	2%	0.017	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-44.3	178	0	0	0	0	0	111.9	I59 D60 Y61 S67 L68 Y91 F156	I59-A64 HydrophobicContact CD1-CB 3.63Å; I59-A64 HydrophobicContact CG1-CB 3.96Å; D60-A64 WeakPolarHBondContact O-CB 3.44Å; D60-A64 PolarHBondContact O-N 3.4Å; Y61-A64 PolarHBondContact O-N 3.16Å; A64-S67 PolarHBondContact O-N 3.43Å; A64-L68 PolarHBondContact O-N 3.32Å; A64-Y91 HydrophobicContact CB-CE1 4.18Å; A64-F156 HydrophobicContact CB-CD1 4.03Å; A64-F156 HydrophobicContact CB-CD2 3.76Å; A64-F156 HydrophobicContact CB-CE1 4.05Å; A64-F156 HydrophobicContact CB-CE2 3.78Å; A64-F156 HydrophobicContact CB-CG 3.89Å; A64-F156 HydrophobicContact CB-CZ 3.93Å
65	L	94.9	Very high	85.7	Confident	30 Å²	30	69.7 Å²	69.7	16%	0.157	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-45.3	176.4	-178.6	62.7	0	0	0	111.7	Y61 S67 L68 Q69 P154 F156	Y61-L65 HydrophobicContact CE1-CB 4.5Å; Y61-L65 HydrophobicContact CE1-CD2 3.91Å; Y61-L65 VanDerWaalsContact O-CB 3.26Å; Y61-L65 WeakPolarHBondContact O-CB 3.49Å; Y61-L65 PolarHBondContact O-N 3.37Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.92Å; L65-L68 PolarHBondContact O-N 2.96Å; L65-Q69 HydrophobicContact CD1-CG 4.33Å; L65-Q69 HydrophobicContact CG-CG 4.49Å; L65-Q69 WeakPolarHBondContact O-CB 3.42Å; L65-Q69 VanDerWaalsContact O-CG 3.27Å; L65-Q69 WeakPolarHBondContact O-CG 3.3Å; L65-Q69 PolarHBondContact O-N 3.02Å; L65-P154 HydrophobicContact CD1-CG 4.07Å; L65-F156 HydrophobicContact CB-CE2 4.21Å; L65-F156 HydrophobicContact CB-CZ 4.35Å
66	Q	93.8	Very high	87.7	Confident	97 Å²	97	68.6 Å²	68.6	45%	0.453	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-43.9	176	-177.2	176.9	4.4	0	0	110.8	H62 V63 L68 Q69 E70	H62-Q66 VanDerWaalsContact O-CB 3.23Å; H62-Q66 WeakPolarHBondContact O-CB 3.41Å; H62-Q66 PolarHBondContact O-N 3.34Å; V63-Q66 PolarHBondContact O-N 2.94Å; Q66-L68 PolarHBondContact O-N 3.43Å; Q66-Q69 PolarHBondContact O-N 3.44Å; Q66-E70 VanDerWaalsContact CG-CD 3.5Å; Q66-E70 HydrophobicContact CG-CG 4.15Å; Q66-E70 VanDerWaalsContact CG-OE1 3.32Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.39Å; Q66-E70 PolarHBondContact NE2-OE1 3.03Å; Q66-E70 WeakPolarHBondContact O-CB 3.28Å; Q66-E70 WeakPolarHBondContact O-CG 3.23Å; Q66-E70 PolarHBondContact O-N 2.99Å
67	S	94.2	Very high	89.8	Confident	26 Å²	26	62.1 Å²	62.1	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-58.5	-46.5	177	-63.8	0	0	0	0	111.9	V63 A64 L65 H71 Y91	V63-S67 VanDerWaalsContact O-CB 3.31Å; V63-S67 WeakPolarHBondContact O-CB 3.34Å; V63-S67 PolarHBondContact O-N 3.48Å; V63-S67 PolarHBondContact O-OG 3.32Å; A64-S67 PolarHBondContact O-N 3.43Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 2.92Å; S67-H71 WeakPolarHBondContact O-CA 3.24Å; S67-H71 VanDerWaalsContact O-CB 3.25Å; S67-H71 WeakPolarHBondContact O-CB 3.47Å; S67-H71 PolarHBondContact O-N 2.95Å; S67-H71 PolarHBondContact O-ND1 3.21Å; S67-Y91 WeakPolarHBondContact CB-OH 2.9Å
68	L	95.1	Very high	91.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-36.8	177.2	179.1	54.1	0	0	0	112.4	A64 L65 Q66 G72 Y91 F104 L148 F156	A64-L68 PolarHBondContact O-N 3.32Å; L65-L68 PolarHBondContact O-N 2.96Å; Q66-L68 PolarHBondContact O-N 3.43Å; L68-G72 WeakPolarHBondContact O-CA 3.42Å; L68-G72 PolarHBondContact O-N 3.3Å; L68-Y91 HydrophobicContact CB-CD1 4.31Å; L68-Y91 HydrophobicContact CB-CG 4.43Å; L68-F104 HydrophobicContact CD1-CB 4.05Å; L68-F104 HydrophobicContact CD1-CD2 3.95Å; L68-F104 HydrophobicContact CD1-CG 4.33Å; L68-F104 HydrophobicContact CD2-CD2 4.42Å; L68-L148 HydrophobicContact CD2-CD1 4.03Å; L68-L148 HydrophobicContact CD2-CD2 4.08Å; L68-L148 HydrophobicContact CG-CD1 3.71Å; L68-F156 HydrophobicContact CD2-CE1 4.09Å; L68-F156 HydrophobicContact CD2-CZ 4.23Å
69	Q	94.5	Very high	92.6	Very high	83 Å²	83	53.4 Å²	53.4	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-70.3	-41.4	177.9	-75.4	176.4	-16.7	0	0	113.1	L65 Q66 L148	L65-Q69 HydrophobicContact CD1-CG 4.33Å; L65-Q69 HydrophobicContact CG-CG 4.49Å; L65-Q69 WeakPolarHBondContact O-CB 3.42Å; L65-Q69 VanDerWaalsContact O-CG 3.27Å; L65-Q69 WeakPolarHBondContact O-CG 3.3Å; L65-Q69 PolarHBondContact O-N 3.02Å; Q66-Q69 PolarHBondContact O-N 3.44Å; Q69-L148 HydrophobicContact CG-CD1 3.93Å
70	E	93.8	Very high	92.9	Very high	104 Å²	104	59.6 Å²	59.6	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-84.9	-42.8	-176.1	-69.3	178	176.5	0	0	112.4	Q66 S106	Q66-E70 VanDerWaalsContact CG-CD 3.5Å; Q66-E70 HydrophobicContact CG-CG 4.15Å; Q66-E70 VanDerWaalsContact CG-OE1 3.32Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.39Å; Q66-E70 PolarHBondContact NE2-OE1 3.03Å; Q66-E70 WeakPolarHBondContact O-CB 3.28Å; Q66-E70 WeakPolarHBondContact O-CG 3.23Å; Q66-E70 PolarHBondContact O-N 2.99Å; E70-S106 WeakPolarHBondContact O-CB 3.48Å; E70-S106 PolarHBondContact O-OG 3.21Å
71	H	94.6	Very high	92.9	Very high	66 Å²	66	60.6 Å²	60.6	31%	0.306	30%	0.303	S	S	.	.	H	α-helix	trans	-101.9	-16.3	-173.8	-55.2	103	0	0	0	113.9	S67 R74 S106 S108 S109	S67-H71 WeakPolarHBondContact O-CA 3.24Å; S67-H71 VanDerWaalsContact O-CB 3.25Å; S67-H71 WeakPolarHBondContact O-CB 3.47Å; S67-H71 PolarHBondContact O-N 2.95Å; S67-H71 PolarHBondContact O-ND1 3.21Å; H71-R74 PolarHBondContact CD2-NH2 3Å; H71-S106 WeakPolarHBondContact CA-OG 3.42Å; H71-S106 PolarHBondContact O-OG 2.98Å; H71-S108 CarbonylContact O-C 3.57Å; H71-S109 WeakPolarHBondContact O-CA 3.44Å; H71-S109 PolarHBondContact O-N 2.78Å
72	G	95.6	Very high	92.8	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.01	29%	0.294	C	S	.	.			trans	64.1	-164.1	-175.3	0	0	0	0	0	112.4	L68 F104 S106	L68-G72 WeakPolarHBondContact O-CA 3.42Å; L68-G72 PolarHBondContact O-N 3.3Å; G72-F104 CarbonylContact C-O 3.56Å; G72-F104 VanDerWaalsContact CA-O 3.24Å; G72-F104 WeakPolarHBondContact CA-O 3.4Å; G72-S106 PolarHBondContact N-OG 3.38Å
73	T	96.8	Very high	92.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.			trans	-81.5	144.5	172.6	-52.8	0	0	0	0	109.6	F89 D90 Y91 F103 F104 S109	T73-F89 HydrophobicContact CG2-CD1 4.09Å; T73-D90 WeakPolarHBondContact CA-O 3.4Å; T73-D90 WeakPolarHBondContact CG2-O 3.36Å; T73-Y91 PolarHBondContact OG1-O 2.9Å; T73-F103 HydrophobicContact CG2-CD2 3.33Å; T73-F103 HydrophobicContact CG2-CE2 3.5Å; T73-F103 HydrophobicContact CG2-CG 3.96Å; T73-F103 HydrophobicContact CG2-CZ 4.25Å; T73-F103 WeakPolarHBondContact O-CZ 3.41Å; T73-F104 PolarHBondContact N-O 2.85Å; T73-F104 PolarHBondContact OG1-N 3.03Å; T73-S109 WeakPolarHBondContact O-CB 3.47Å
74	R	96.3	Very high	92.4	Very high	93 Å²	93	52.5 Å²	52.5	35%	0.351	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	142.1	171.5	-62.6	176.6	174	168.7	1.4	109.3	H71 F89 D90 V110	H71-R74 PolarHBondContact CD2-NH2 3Å; R74-F89 CarbonylContact O-C 3.47Å; R74-F89 WeakPolarHBondContact O-CA 3.49Å; R74-D90 HydrophobicContact CB-CB 4.18Å; R74-D90 PolarHBondContact N-O 2.85Å; R74-D90 PolarHBondContact O-N 3.42Å; R74-V110 CarbonylContact C-O 3.49Å; R74-V110 WeakPolarHBondContact CA-O 3.35Å; R74-V110 HydrophobicContact CB-CB 4.49Å; R74-V110 HydrophobicContact CG-CB 4.39Å
75	M	95.6	Very high	92.4	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.9	179	-178.4	-173.4	91	0	0	110.6	C77 C87 R88 F89 F103 V110 M111 L112 L124 F140	M75-C77 VanDerWaalsContact CE-SG 3.53Å; M75-C87 HydrophobicContact CG-CB 4.2Å; M75-R88 CarbonylContact C-O 3.42Å; M75-R88 VanDerWaalsContact CA-O 3.31Å; M75-R88 WeakPolarHBondContact CA-O 3.34Å; M75-F89 HydrophobicContact CB-CD1 3.7Å; M75-F89 HydrophobicContact CB-CE1 3.63Å; M75-F89 HydrophobicContact CB-CG 4.42Å; M75-F89 HydrophobicContact CB-CZ 4.3Å; M75-F89 HydrophobicContact CG-CD1 3.82Å; M75-F89 HydrophobicContact CG-CD2 4.48Å; M75-F89 HydrophobicContact CG-CE1 3.39Å; M75-F89 HydrophobicContact CG-CE2 4.12Å; M75-F89 HydrophobicContact CG-CG 4.35Å; M75-F89 HydrophobicContact CG-CZ 3.54Å; M75-F89 HydrophobicContact SD-CD1 4.35Å; M75-F89 HydrophobicContact SD-CE1 3.36Å; M75-F89 WeakPolarHBondContact SD-CE1 3.47Å; M75-F89 HydrophobicContact SD-CE2 4.32Å; M75-F89 HydrophobicContact SD-CZ 3.32Å; M75-F89 WeakPolarHBondContact SD-CZ 3.39Å; M75-F103 HydrophobicContact CB-CE2 3.83Å; M75-V110 PolarHBondContact N-O 3.48Å; M75-M111 HydrophobicContact CE-CB 4.49Å; M75-M111 HydrophobicContact CE-CG 3.23Å; M75-M111 HydrophobicContact CE-SD 3.98Å; M75-M111 HydrophobicContact SD-CG 4.27Å; M75-L112 PolarHBondContact O-N 2.71Å; M75-L124 HydrophobicContact SD-CD2 4.25Å; M75-F140 HydrophobicContact SD-CE1 3.69Å; M75-F140 HydrophobicContact SD-CZ 3.97Å
76	V	95.7	Very high	92.4	Very high	60 Å²	60	52 Å²	52	36%	0.364	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.3	170.8	-177.5	0	0	0	0	108.8	R88 L112	V76-R88 PolarHBondContact N-O 2.81Å; V76-R88 PolarHBondContact O-N 3.09Å; V76-L112 CarbonylContact C-O 3.45Å; V76-L112 WeakPolarHBondContact CA-O 3.3Å
77	C	94.4	Very high	92.5	Very high	15 Å²	15	47.4 Å²	47.4	10%	0.101	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.3	179.8	-47.6	0	0	0	0	112.7	M75 R85 I86 C87 L112	M75-C77 VanDerWaalsContact CE-SG 3.53Å; C77-R85 HydrophobicContact CB-CG 3.78Å; C77-I86 CarbonylContact C-O 2.85Å; C77-I86 VanDerWaalsContact CA-O 3.23Å; C77-I86 WeakPolarHBondContact CA-O 3.27Å; C77-C87 HydrophobicContact CB-CB 4.05Å; C77-C87 WeakPolarHBondContact CB-SG 3.32Å; C77-C87 WeakPolarHBondContact SG-CB 3.48Å; C77-C87 CovalentContact SG-SG 2.02Å; C77-C87 PolarHBondContact SG-SG 3.45Å; C77-L112 PolarHBondContact N-O 3.11Å
78	T	91.1	Very high	92.7	Very high	62 Å²	62	50.5 Å²	50.5	38%	0.38	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	168.1	163.3	54.9	0	0	0	0	109.8	R85 I86 Y190	T78-R85 VanDerWaalsContact O-CA 3.22Å; T78-R85 WeakPolarHBondContact O-CA 3.15Å; T78-R85 VanDerWaalsContact O-CG 3.29Å; T78-R85 WeakPolarHBondContact O-CG 3.43Å; T78-I86 PolarHBondContact N-O 2.64Å; T78-I86 PolarHBondContact O-N 3.17Å; T78-I86 PolarHBondContact OG1-O 3.24Å; T78-Y190 PolarHBondContact OG1-OH 3.3Å
79	G	87	Confident	92.8	Very high	34 Å²	34	50.5 Å²	50.5	35%	0.351	25%	0.249	S	C	.	.	S	Bend	trans	86.5	159.8	-178.5	0	0	0	0	0	113.7	D84	G79-D84 WeakPolarHBondContact CA-O 3.38Å; G79-D84 WeakPolarHBondContact CA-OD2 3.49Å
80	K	83.7	Confident	92.9	Very high	188 Å²	188	48.3 Å²	48.3	82%	0.817	24%	0.24	S	C	*	.	S	Bend	trans	-103.2	-33.8	-173.8	-68.4	-177.7	-179.4	176.7	0	113.1	D84 R85	K80-D84 PolarHBondContact N-OD1 3.02Å; K80-D84 VanDerWaalsContact N-OD1 3.16Å; K80-D84 PolarHBondContact N-OD2 3.32Å; K80-R85 PolarHBondContact O-NH2 2.96Å
81	M	87.4	Confident	93.1	Very high	114 Å²	114	45.6 Å²	45.6	56%	0.562	23%	0.226	S	C	*	.	S	Bend	trans	-123.5	171.3	-175.5	-56.5	-171.3	-57	0	0	109.8	T83 D84 R85	M81-T83 VanDerWaalsContact C-N 3.26Å; M81-T83 HydrophobicContact CB-CG2 4.48Å; M81-T83 HydrophobicContact CE-CG2 4.22Å; M81-T83 PolarHBondContact O-N 3.3Å; M81-D84 WeakPolarHBondContact CA-OD1 3.42Å; M81-D84 PolarHBondContact N-OD1 2.86Å; M81-D84 PolarHBondContact O-N 3.33Å; M81-R85 WeakPolarHBondContact O-CB 3.21Å; M81-R85 PolarHBondContact O-N 3.49Å; M81-R85 VanDerWaalsContact O-N 3.15Å
82	H	87.5	Confident	93.2	Very high	28 Å²	28	42.4 Å²	42.4	13%	0.13	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.8	-178.6	62.1	-67.7	0	0	0	112.6	D84 R85 P122 A123 L125 D126 D132	H82-D84 PolarHBondContact O-N 2.9Å; H82-R85 PolarHBondContact O-N 3.29Å; H82-P122 WeakPolarHBondContact ND1-CD 3.16Å; H82-A123 WeakPolarHBondContact CB-O 3.36Å; H82-L125 VanDerWaalsContact O-CA 3.32Å; H82-L125 WeakPolarHBondContact O-CA 3.32Å; H82-D126 IonicContact CD2-OD1 2.84Å; H82-D126 PolarHBondContact CD2-OD1 3.48Å; H82-D126 IonicContact CD2-OD2 3.48Å; H82-D126 PolarHBondContact O-N 3.39Å; H82-D132 IonicContact CD2-OD1 3.86Å; H82-D132 IonicContact CE1-OD1 3.27Å; H82-D132 IonicContact NE2-OD1 2.66Å; H82-D132 PolarHBondContact NE2-OD1 3.45Å
83	T	87.8	Confident	93.3	Very high	25 Å²	25	42.4 Å²	42.4	15%	0.153	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-29.9	-175.5	-165.5	0	0	0	0	114.8	M81 D126 K246	M81-T83 VanDerWaalsContact C-N 3.26Å; M81-T83 HydrophobicContact CB-CG2 4.48Å; M81-T83 HydrophobicContact CE-CG2 4.22Å; M81-T83 PolarHBondContact O-N 3.3Å; T83-D126 WeakPolarHBondContact CA-OD2 3.18Å; T83-K246 WeakPolarHBondContact O-CD 3.45Å; T83-K246 WeakPolarHBondContact O-CE 3.05Å; T83-K246 WeakPolarHBondContact OG1-CD 3.38Å; T83-K246 WeakPolarHBondContact OG1-CE 3.47Å; T83-K246 PolarHBondContact OG1-NZ 3.11Å
84	D	87.6	Confident	93.4	Very high	74 Å²	74	42.5 Å²	42.5	40%	0.396	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	3.4	178.5	71.4	-40.7	0	0	0	112.8	G79 K80 M81 H82	G79-D84 WeakPolarHBondContact CA-O 3.38Å; G79-D84 WeakPolarHBondContact CA-OD2 3.49Å; K80-D84 PolarHBondContact N-OD1 3.02Å; K80-D84 VanDerWaalsContact N-OD1 3.16Å; K80-D84 PolarHBondContact N-OD2 3.32Å; M81-D84 WeakPolarHBondContact CA-OD1 3.42Å; M81-D84 PolarHBondContact N-OD1 2.86Å; M81-D84 PolarHBondContact O-N 3.33Å; H82-D84 PolarHBondContact O-N 2.9Å
85	R	92.6	Very high	93.4	Very high	16 Å²	16	38.8 Å²	38.8	6%	0.06	20%	0.199	C	C	.	.			trans	-84	130.3	-176.9	-172.7	-171.2	-44.2	-88.5	-4.8	111.3	C77 T78 K80 M81 H82 C87 L115 L124 L125	C77-R85 HydrophobicContact CB-CG 3.78Å; T78-R85 VanDerWaalsContact O-CA 3.22Å; T78-R85 WeakPolarHBondContact O-CA 3.15Å; T78-R85 VanDerWaalsContact O-CG 3.29Å; T78-R85 WeakPolarHBondContact O-CG 3.43Å; K80-R85 PolarHBondContact O-NH2 2.96Å; M81-R85 WeakPolarHBondContact O-CB 3.21Å; M81-R85 PolarHBondContact O-N 3.49Å; M81-R85 VanDerWaalsContact O-N 3.15Å; H82-R85 PolarHBondContact O-N 3.29Å; R85-C87 VanDerWaalsContact CD-SG 3.54Å; R85-L115 VanDerWaalsContact NH1-CD1 3.3Å; R85-L124 WeakPolarHBondContact CD-O 3.46Å; R85-L124 PolarHBondContact NE-O 3.31Å; R85-L125 HydrophobicContact CB-CB 3.97Å; R85-L125 HydrophobicContact CG-CB 4.26Å; R85-L125 WeakPolarHBondContact O-CB 3.37Å
86	I	95.3	Very high	93.2	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.8	168.4	-57.8	172.8	0	0	0	106.3	C77 T78 T186 Y190	C77-I86 CarbonylContact C-O 2.85Å; C77-I86 VanDerWaalsContact CA-O 3.23Å; C77-I86 WeakPolarHBondContact CA-O 3.27Å; T78-I86 PolarHBondContact N-O 2.64Å; T78-I86 PolarHBondContact O-N 3.17Å; T78-I86 PolarHBondContact OG1-O 3.24Å; I86-T186 HydrophobicContact CD1-CG2 4.09Å; I86-Y190 HydrophobicContact CD1-CE2 4.49Å; I86-Y190 HydrophobicContact CG2-CE2 4.15Å
87	C	96.9	Very high	93	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.9	-177.3	-66.3	0	0	0	0	110.6	M75 C77 R85 F89 L125 V242	M75-C87 HydrophobicContact CG-CB 4.2Å; C77-C87 HydrophobicContact CB-CB 4.05Å; C77-C87 WeakPolarHBondContact CB-SG 3.32Å; C77-C87 WeakPolarHBondContact SG-CB 3.48Å; C77-C87 CovalentContact SG-SG 2.02Å; C77-C87 PolarHBondContact SG-SG 3.45Å; R85-C87 VanDerWaalsContact CD-SG 3.54Å; C87-F89 HydrophobicContact CB-CD2 4.09Å; C87-F89 HydrophobicContact CB-CE2 3.37Å; C87-F89 HydrophobicContact CB-CZ 3.96Å; C87-L125 HydrophobicContact CB-CD2 3.78Å; C87-L125 WeakPolarHBondContact SG-CD2 3.27Å; C87-V242 PolarHBondContact N-O 3.35Å; C87-V242 VanDerWaalsContact N-O 3.09Å; C87-V242 PolarHBondContact O-N 3.14Å
88	R	97.4	Very high	93	Very high	90 Å²	90	44.7 Å²	44.7	34%	0.34	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131	166.1	-171.7	-176.8	74.7	-168.4	1	108.8	M75 V76 S240 Y241	M75-R88 CarbonylContact C-O 3.42Å; M75-R88 VanDerWaalsContact CA-O 3.31Å; M75-R88 WeakPolarHBondContact CA-O 3.34Å; V76-R88 PolarHBondContact N-O 2.81Å; V76-R88 PolarHBondContact O-N 3.09Å; R88-S240 CarbonylContact C-O 3.59Å; R88-S240 WeakPolarHBondContact CA-O 3.23Å; R88-Y241 HydrophobicContact CB-CD1 3.93Å; R88-Y241 HydrophobicContact CB-CE1 3.72Å; R88-Y241 WeakPolarHBondContact CD-OH 3.02Å; R88-Y241 HydrophobicContact CG-CD1 4.13Å; R88-Y241 HydrophobicContact CG-CE1 3.71Å; R88-Y241 HydrophobicContact CG-CE2 4.27Å
89	F	97.8	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.2	172.5	-62.3	-104.2	0	0	0	111.6	T73 R74 M75 C87 L92 F103 F138 F140 K239 S240 V242	T73-F89 HydrophobicContact CG2-CD1 4.09Å; R74-F89 CarbonylContact O-C 3.47Å; R74-F89 WeakPolarHBondContact O-CA 3.49Å; M75-F89 HydrophobicContact CB-CD1 3.7Å; M75-F89 HydrophobicContact CB-CE1 3.63Å; M75-F89 HydrophobicContact CB-CG 4.42Å; M75-F89 HydrophobicContact CB-CZ 4.3Å; M75-F89 HydrophobicContact CG-CD1 3.82Å; M75-F89 HydrophobicContact CG-CD2 4.48Å; M75-F89 HydrophobicContact CG-CE1 3.39Å; M75-F89 HydrophobicContact CG-CE2 4.12Å; M75-F89 HydrophobicContact CG-CG 4.35Å; M75-F89 HydrophobicContact CG-CZ 3.54Å; M75-F89 HydrophobicContact SD-CD1 4.35Å; M75-F89 HydrophobicContact SD-CE1 3.36Å; M75-F89 WeakPolarHBondContact SD-CE1 3.47Å; M75-F89 HydrophobicContact SD-CE2 4.32Å; M75-F89 HydrophobicContact SD-CZ 3.32Å; M75-F89 WeakPolarHBondContact SD-CZ 3.39Å; C87-F89 HydrophobicContact CB-CD2 4.09Å; C87-F89 HydrophobicContact CB-CE2 3.37Å; C87-F89 HydrophobicContact CB-CZ 3.96Å; F89-L92 HydrophobicContact CB-CB 3.66Å; F89-L92 HydrophobicContact CB-CD2 4.35Å; F89-L92 HydrophobicContact CD1-CB 4.26Å; F89-L92 HydrophobicContact CD1-CD1 4Å; F89-L92 HydrophobicContact CD1-CD2 4.36Å; F89-L92 HydrophobicContact CD1-CG 4.44Å; F89-L92 HydrophobicContact CD2-CD2 4.06Å; F89-L92 HydrophobicContact CE1-CD1 4.23Å; F89-L92 HydrophobicContact CE2-CD2 4.42Å; F89-L92 HydrophobicContact CG-CB 4.05Å; F89-L92 HydrophobicContact CG-CD1 4.44Å; F89-L92 HydrophobicContact CG-CD2 4.02Å; F89-L92 HydrophobicContact CG-CG 4.4Å; F89-F103 HydrophobicContact CD1-CD2 4.3Å; F89-F103 HydrophobicContact CE1-CD2 4.19Å; F89-F138 AromaticContact CE2-CE1 3.95Å; F89-F138 HydrophobicContact CE2-CE1 3.95Å; F89-F138 HydrophobicContact CE2-CZ 4.24Å; F89-F138 AromaticContact CZ-CE1 3.71Å; F89-F138 HydrophobicContact CZ-CE1 3.71Å; F89-F138 HydrophobicContact CZ-CZ 4.15Å; F89-F140 AromaticContact CE1-CD1 3.99Å; F89-F140 HydrophobicContact CE1-CD1 3.99Å; F89-F140 AromaticContact CE1-CE1 3.68Å; F89-F140 HydrophobicContact CE1-CE1 3.68Å; F89-F140 HydrophobicContact CE1-CZ 4.42Å; F89-F140 HydrophobicContact CZ-CD1 4.05Å; F89-F140 AromaticContact CZ-CE1 3.8Å; F89-F140 HydrophobicContact CZ-CE1 3.8Å; F89-K239 WeakPolarHBondContact O-CA 3.38Å; F89-S240 PolarHBondContact N-O 3.1Å; F89-S240 PolarHBondContact O-N 3.14Å; F89-V242 HydrophobicContact CD2-CB 4.41Å; F89-V242 HydrophobicContact CD2-CG2 3.6Å; F89-V242 HydrophobicContact CE2-CB 4.09Å; F89-V242 HydrophobicContact CE2-CG2 3.67Å
90	D	96.9	Very high	93.5	Very high	38 Å²	38	49.2 Å²	49.2	20%	0.203	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.6	162.4	-53.4	-39.5	0	0	0	108	T73 R74 T238	T73-D90 WeakPolarHBondContact CA-O 3.4Å; T73-D90 WeakPolarHBondContact CG2-O 3.36Å; R74-D90 HydrophobicContact CB-CB 4.18Å; R74-D90 PolarHBondContact N-O 2.85Å; R74-D90 PolarHBondContact O-N 3.42Å; D90-T238 WeakPolarHBondContact CA-O 3.35Å
91	Y	96.8	Very high	94.1	Very high	46 Å²	46	41 Å²	41	18%	0.18	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55	47.8	-177.7	-56.3	-81.8	0	0	0	114.7	A64 S67 L68 T73 F156 F237 T238	A64-Y91 HydrophobicContact CB-CE1 4.18Å; S67-Y91 WeakPolarHBondContact CB-OH 2.9Å; L68-Y91 HydrophobicContact CB-CD1 4.31Å; L68-Y91 HydrophobicContact CB-CG 4.43Å; T73-Y91 PolarHBondContact OG1-O 2.9Å; Y91-F156 HydrophobicContact CD1-CD1 4.2Å; Y91-F156 AromaticContact CD1-CE1 3.87Å; Y91-F156 HydrophobicContact CD1-CE1 3.87Å; Y91-F156 HydrophobicContact CE1-CD1 4.34Å; Y91-F156 HydrophobicContact CE1-CE1 4.13Å; Y91-F237 CarbonylContact C-O 3.48Å; Y91-F237 WeakPolarHBondContact CA-O 3.25Å; Y91-F237 PolarHBondContact N-O 3.21Å; Y91-F237 VanDerWaalsContact N-O 3.14Å; Y91-T238 HydrophobicContact CD1-CG2 4.48Å; Y91-T238 HydrophobicContact CE1-CG2 4.07Å; Y91-T238 PolarHBondContact N-O 2.75Å
92	L	98.1	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.7	168	177.9	64.8	0	0	0	109	F89 F101 F138 I163 C236 F237 V242	F89-L92 HydrophobicContact CB-CB 3.66Å; F89-L92 HydrophobicContact CB-CD2 4.35Å; F89-L92 HydrophobicContact CD1-CB 4.26Å; F89-L92 HydrophobicContact CD1-CD1 4Å; F89-L92 HydrophobicContact CD1-CD2 4.36Å; F89-L92 HydrophobicContact CD1-CG 4.44Å; F89-L92 HydrophobicContact CD2-CD2 4.06Å; F89-L92 HydrophobicContact CE1-CD1 4.23Å; F89-L92 HydrophobicContact CE2-CD2 4.42Å; F89-L92 HydrophobicContact CG-CB 4.05Å; F89-L92 HydrophobicContact CG-CD1 4.44Å; F89-L92 HydrophobicContact CG-CD2 4.02Å; F89-L92 HydrophobicContact CG-CG 4.4Å; L92-F101 HydrophobicContact CD1-CB 4.28Å; L92-F101 HydrophobicContact CD1-CD1 4.21Å; L92-F101 HydrophobicContact CD2-CD1 3.73Å; L92-F101 HydrophobicContact CD2-CE1 4.01Å; L92-F101 HydrophobicContact CD2-CG 4.5Å; L92-F101 HydrophobicContact CG-CD1 3.82Å; L92-F101 HydrophobicContact CG-CE1 4.4Å; L92-F138 HydrophobicContact CD2-CE2 4.45Å; L92-F138 HydrophobicContact CD2-CZ 3.96Å; L92-I163 HydrophobicContact CD2-CD1 4.33Å; L92-C236 CarbonylContact O-C 3.56Å; L92-C236 WeakPolarHBondContact O-CA 3.39Å; L92-F237 PolarHBondContact N-O 2.54Å; L92-F237 WeakPolarHBondContact O-CD2 3.38Å; L92-F237 PolarHBondContact O-N 2.72Å; L92-V242 HydrophobicContact CD2-CG2 4.02Å
93	C	97.8	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	157.1	179.8	-58.3	0	0	0	0	112.3	F101 V102 F104 L234 M235 C236	C93-F101 CarbonylContact O-C 3.47Å; C93-F101 VanDerWaalsContact O-CA 3.27Å; C93-F101 WeakPolarHBondContact O-CA 3.23Å; C93-F101 WeakPolarHBondContact O-CD1 3.43Å; C93-V102 HydrophobicContact CB-CB 4.36Å; C93-V102 PolarHBondContact N-O 3.11Å; C93-V102 VanDerWaalsContact N-O 3.16Å; C93-V102 PolarHBondContact O-N 3.49Å; C93-F104 HydrophobicContact CB-CD2 4.42Å; C93-F104 HydrophobicContact CB-CE2 3.86Å; C93-L234 HydrophobicContact CB-CD1 3.89Å; C93-M235 CarbonylContact C-O 3.55Å; C93-M235 WeakPolarHBondContact CA-O 3.36Å; C93-M235 WeakPolarHBondContact CB-O 3.37Å; C93-C236 HydrophobicContact CB-CB 4.16Å; C93-C236 WeakPolarHBondContact CB-SG 3.34Å; C93-C236 WeakPolarHBondContact SG-CB 3.35Å; C93-C236 CovalentContact SG-SG 2.05Å; C93-C236 PolarHBondContact SG-SG 2.94Å
94	Y	97.6	Very high	95.5	Very high	3 Å²	3	33 Å²	33	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.7	176.9	179.7	-106	0	0	0	108.9	E99 F101 M202 K225 L228 L234 M235	Y94-E99 VanDerWaalsContact CE2-C 3.49Å; Y94-E99 WeakPolarHBondContact CE2-O 3.37Å; Y94-E99 VanDerWaalsContact OH-CA 3.3Å; Y94-E99 WeakPolarHBondContact OH-CA 3.32Å; Y94-F101 HydrophobicContact CD2-CD1 4.06Å; Y94-F101 HydrophobicContact CD2-CD2 4.1Å; Y94-F101 HydrophobicContact CD2-CE1 4.1Å; Y94-F101 HydrophobicContact CD2-CE2 4.14Å; Y94-F101 HydrophobicContact CD2-CG 4.08Å; Y94-F101 HydrophobicContact CD2-CZ 4.14Å; Y94-F101 HydrophobicContact CG-CE1 4.4Å; Y94-M202 HydrophobicContact CD1-CE 4.33Å; Y94-M202 HydrophobicContact CD2-CE 3.76Å; Y94-M202 HydrophobicContact CE1-CE 4.07Å; Y94-M202 HydrophobicContact CE2-CE 3.48Å; Y94-M202 VanDerWaalsContact CE2-CE 3.48Å; Y94-M202 HydrophobicContact CG-CE 4.19Å; Y94-K225 WeakPolarHBondContact OH-CE 3.47Å; Y94-L228 HydrophobicContact CD1-CB 4.49Å; Y94-L228 HydrophobicContact CD1-CD1 3.75Å; Y94-L228 HydrophobicContact CE1-CD1 4.03Å; Y94-L228 HydrophobicContact CG-CD1 4.48Å; Y94-L234 WeakPolarHBondContact O-CA 3.17Å; Y94-M235 PolarHBondContact N-O 3.02Å; Y94-M235 PolarHBondContact O-N 3.25Å
95	S	96.5	Very high	95.9	Very high	14 Å²	14	32.6 Å²	32.6	10%	0.098	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.5	174	176.9	0	0	0	0	108.6	E97 A98 E99 E100	S95-E97 PolarHBondContact O-N 2.95Å; S95-A98 PolarHBondContact O-N 3.02Å; S95-A98 PolarHBondContact OG-N 3.13Å; S95-E99 VanDerWaalsContact O-CA 3.28Å; S95-E99 WeakPolarHBondContact O-CA 3.4Å; S95-E99 PolarHBondContact O-N 3.3Å; S95-E100 PolarHBondContact N-O 3.2Å; S95-E100 PolarHBondContact O-N 3.19Å
96	S	92.6	Very high	95.9	Very high	11 Å²	11	33 Å²	33	8%	0.077	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.6	-178	77.3	0	0	0	0	112.9	K233	S96-K233 PolarHBondContact N-O 3.24Å; S96-K233 WeakPolarHBondContact OG-CA 3.26Å; S96-K233 PolarHBondContact OG-O 3.01Å
97	E	90.9	Very high	95.6	Very high	137 Å²	137	41.3 Å²	41.3	64%	0.64	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-39.4	177.9	-171.9	170.7	158.1	0	0	112	S95 K233	S95-E97 PolarHBondContact O-N 2.95Å; E97-K233 IonicContact OE2-NZ 2.75Å; E97-K233 PolarHBondContact OE2-NZ 3.1Å
98	A	93.2	Very high	95.2	Very high	52 Å²	52	43.9 Å²	43.9	43%	0.43	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.1	175	0	0	0	0	0	112.8	S95 E100	S95-A98 PolarHBondContact O-N 3.02Å; S95-A98 PolarHBondContact OG-N 3.13Å; A98-E100 HydrophobicContact CB-CB 4.41Å; A98-E100 PolarHBondContact O-N 3.42Å
99	E	93.8	Very high	94.7	Very high	90 Å²	90	40.9 Å²	40.9	42%	0.421	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	27.6	-169.3	-59.4	-168.4	-164.8	0	0	114.9	Y94 S95 K225 R229	Y94-E99 VanDerWaalsContact CE2-C 3.49Å; Y94-E99 WeakPolarHBondContact CE2-O 3.37Å; Y94-E99 VanDerWaalsContact OH-CA 3.3Å; Y94-E99 WeakPolarHBondContact OH-CA 3.32Å; S95-E99 VanDerWaalsContact O-CA 3.28Å; S95-E99 WeakPolarHBondContact O-CA 3.4Å; S95-E99 PolarHBondContact O-N 3.3Å; E99-K225 WeakPolarHBondContact OE2-CE 3.49Å; E99-K225 IonicContact OE2-NZ 2.96Å; E99-K225 PolarHBondContact OE2-NZ 3.05Å; E99-R229 VanDerWaalsContact CD-NH2 3.28Å; E99-R229 IonicContact OE1-CZ 3.34Å; E99-R229 IonicContact OE1-NH2 2.82Å; E99-R229 PolarHBondContact OE1-NH2 3.38Å
100	E	95.1	Very high	94.2	Very high	102 Å²	102	43.5 Å²	43.5	48%	0.477	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.1	-174.6	-69.6	-179.1	127.2	0	0	112.5	S95 A98 L141	S95-E100 PolarHBondContact N-O 3.2Å; S95-E100 PolarHBondContact O-N 3.19Å; A98-E100 HydrophobicContact CB-CB 4.41Å; A98-E100 PolarHBondContact O-N 3.42Å; E100-L141 HydrophobicContact CB-CD2 3.69Å; E100-L141 HydrophobicContact CG-CD2 4.42Å; E100-L141 WeakPolarHBondContact OE2-CD2 3.34Å
101	F	97.5	Very high	93.8	Very high	14 Å²	14	43.5 Å²	43.5	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	142.9	166	-75.1	-80	0	0	0	110.8	L92 C93 Y94 F138 F140 L141 I163 M202 F237	L92-F101 HydrophobicContact CD1-CB 4.28Å; L92-F101 HydrophobicContact CD1-CD1 4.21Å; L92-F101 HydrophobicContact CD2-CD1 3.73Å; L92-F101 HydrophobicContact CD2-CE1 4.01Å; L92-F101 HydrophobicContact CD2-CG 4.5Å; L92-F101 HydrophobicContact CG-CD1 3.82Å; L92-F101 HydrophobicContact CG-CE1 4.4Å; C93-F101 CarbonylContact O-C 3.47Å; C93-F101 VanDerWaalsContact O-CA 3.27Å; C93-F101 WeakPolarHBondContact O-CA 3.23Å; C93-F101 WeakPolarHBondContact O-CD1 3.43Å; Y94-F101 HydrophobicContact CD2-CD1 4.06Å; Y94-F101 HydrophobicContact CD2-CD2 4.1Å; Y94-F101 HydrophobicContact CD2-CE1 4.1Å; Y94-F101 HydrophobicContact CD2-CE2 4.14Å; Y94-F101 HydrophobicContact CD2-CG 4.08Å; Y94-F101 HydrophobicContact CD2-CZ 4.14Å; Y94-F101 HydrophobicContact CG-CE1 4.4Å; F101-F138 HydrophobicContact CB-CE2 4.27Å; F101-F138 HydrophobicContact CB-CZ 4.43Å; F101-F138 HydrophobicContact CD1-CE2 4.27Å; F101-F138 HydrophobicContact CD2-CD2 4.04Å; F101-F138 AromaticContact CD2-CE2 3.41Å; F101-F138 HydrophobicContact CD2-CE2 3.41Å; F101-F138 VanDerWaalsContact CD2-CE2 3.41Å; F101-F138 HydrophobicContact CD2-CZ 4.34Å; F101-F138 HydrophobicContact CE1-CE2 4.49Å; F101-F138 HydrophobicContact CE2-CD2 4.14Å; F101-F138 AromaticContact CE2-CE2 3.67Å; F101-F138 HydrophobicContact CE2-CE2 3.67Å; F101-F138 AromaticContact CG-CE2 3.73Å; F101-F138 HydrophobicContact CG-CE2 3.73Å; F101-F138 HydrophobicContact CG-CZ 4.26Å; F101-F138 HydrophobicContact CZ-CE2 4.21Å; F101-F140 HydrophobicContact CB-CB 3.78Å; F101-F140 CarbonylContact O-C 3.37Å; F101-F140 VanDerWaalsContact O-CA 3.29Å; F101-F140 WeakPolarHBondContact O-CA 3.43Å; F101-F140 WeakPolarHBondContact O-CB 3.26Å; F101-L141 WeakPolarHBondContact O-CG 3.4Å; F101-L141 PolarHBondContact O-N 3.24Å; F101-I163 HydrophobicContact CE1-CD1 4.08Å; F101-I163 HydrophobicContact CZ-CD1 4.31Å; F101-I163 HydrophobicContact CZ-CG2 4.08Å; F101-M202 HydrophobicContact CE2-CE 3.78Å; F101-M202 HydrophobicContact CE2-CG 4.17Å; F101-M202 HydrophobicContact CZ-CE 3.64Å; F101-M202 HydrophobicContact CZ-CG 3.87Å; F101-M202 HydrophobicContact CZ-SD 3.94Å; F101-F237 HydrophobicContact CE1-CE2 4.11Å
102	V	97.5	Very high	93.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.4	-176.1	-174.3	0	0	0	0	109.7	C93 F104 L141 L143	C93-V102 HydrophobicContact CB-CB 4.36Å; C93-V102 PolarHBondContact N-O 3.11Å; C93-V102 VanDerWaalsContact N-O 3.16Å; C93-V102 PolarHBondContact O-N 3.49Å; V102-F104 HydrophobicContact CB-CE2 4.16Å; V102-F104 HydrophobicContact CB-CZ 4.38Å; V102-F104 HydrophobicContact CG1-CD1 4.27Å; V102-F104 HydrophobicContact CG1-CD2 4.04Å; V102-F104 HydrophobicContact CG1-CE1 3.87Å; V102-F104 HydrophobicContact CG1-CE2 3.62Å; V102-F104 HydrophobicContact CG1-CG 4.36Å; V102-F104 HydrophobicContact CG1-CZ 3.54Å; V102-L141 WeakPolarHBondContact CA-O 3.39Å; V102-L141 HydrophobicContact CB-CD1 4.22Å; V102-L141 HydrophobicContact CB-CG 4.34Å; V102-L141 HydrophobicContact CG1-CD1 3.75Å; V102-L141 HydrophobicContact CG1-CG 4.39Å; V102-L141 HydrophobicContact CG2-CD1 3.96Å; V102-L141 HydrophobicContact CG2-CD2 3.97Å; V102-L141 HydrophobicContact CG2-CG 3.91Å; V102-L143 HydrophobicContact CG1-CB 4.32Å; V102-L143 HydrophobicContact CG1-CD1 3.93Å; V102-L143 HydrophobicContact CG1-CG 4.25Å
103	F	96.9	Very high	92.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.5	168.8	-173.4	-74.7	0	0	0	109.4	T73 M75 F89 H105 F140 L141 E142 L143	T73-F103 HydrophobicContact CG2-CD2 3.33Å; T73-F103 HydrophobicContact CG2-CE2 3.5Å; T73-F103 HydrophobicContact CG2-CG 3.96Å; T73-F103 HydrophobicContact CG2-CZ 4.25Å; T73-F103 WeakPolarHBondContact O-CZ 3.41Å; M75-F103 HydrophobicContact CB-CE2 3.83Å; F89-F103 HydrophobicContact CD1-CD2 4.3Å; F89-F103 HydrophobicContact CE1-CD2 4.19Å; F103-H105 AromaticContact CD1-CD2 3.87Å; F103-H105 AromaticContact CD1-CE1 3.78Å; F103-H105 AromaticContact CD1-NE2 3.57Å; F103-H105 AromaticContact CE1-CE1 3.53Å; F103-H105 AromaticContact CE1-ND1 3.75Å; F103-H105 AromaticContact CE1-NE2 3.83Å; F103-F140 HydrophobicContact CB-CD2 3.33Å; F103-F140 HydrophobicContact CB-CE2 3.5Å; F103-F140 VanDerWaalsContact CB-CE2 3.5Å; F103-F140 HydrophobicContact CB-CG 4.07Å; F103-F140 HydrophobicContact CB-CZ 4.36Å; F103-F140 HydrophobicContact CD2-CD2 4.47Å; F103-F140 AromaticContact CD2-CE2 3.98Å; F103-F140 HydrophobicContact CD2-CE2 3.98Å; F103-F140 HydrophobicContact CD2-CZ 4.05Å; F103-F140 HydrophobicContact CG-CD2 4.16Å; F103-F140 AromaticContact CG-CE2 3.82Å; F103-F140 HydrophobicContact CG-CE2 3.82Å; F103-F140 HydrophobicContact CG-CZ 4.36Å; F103-L141 PolarHBondContact N-O 2.94Å; F103-E142 HydrophobicContact CB-CG 4.25Å; F103-E142 WeakPolarHBondContact O-CA 3.46Å; F103-L143 PolarHBondContact O-N 2.78Å
104	F	96.9	Very high	91.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.7	179.1	-72	-75.2	0	0	0	111.9	L68 G72 T73 C93 V102 L143 A145 L148 M151	L68-F104 HydrophobicContact CD1-CB 4.05Å; L68-F104 HydrophobicContact CD1-CD2 3.95Å; L68-F104 HydrophobicContact CD1-CG 4.33Å; L68-F104 HydrophobicContact CD2-CD2 4.42Å; G72-F104 CarbonylContact C-O 3.56Å; G72-F104 VanDerWaalsContact CA-O 3.24Å; G72-F104 WeakPolarHBondContact CA-O 3.4Å; T73-F104 PolarHBondContact N-O 2.85Å; T73-F104 PolarHBondContact OG1-N 3.03Å; C93-F104 HydrophobicContact CB-CD2 4.42Å; C93-F104 HydrophobicContact CB-CE2 3.86Å; V102-F104 HydrophobicContact CB-CE2 4.16Å; V102-F104 HydrophobicContact CB-CZ 4.38Å; V102-F104 HydrophobicContact CG1-CD1 4.27Å; V102-F104 HydrophobicContact CG1-CD2 4.04Å; V102-F104 HydrophobicContact CG1-CE1 3.87Å; V102-F104 HydrophobicContact CG1-CE2 3.62Å; V102-F104 HydrophobicContact CG1-CG 4.36Å; V102-F104 HydrophobicContact CG1-CZ 3.54Å; F104-L143 CarbonylContact C-O 3.58Å; F104-L143 VanDerWaalsContact CA-O 3.26Å; F104-L143 WeakPolarHBondContact CA-O 3.48Å; F104-L143 HydrophobicContact CD1-CB 3.99Å; F104-L143 HydrophobicContact CE1-CB 3.97Å; F104-L143 HydrophobicContact CE1-CD1 4.19Å; F104-A145 HydrophobicContact CB-CB 4.38Å; F104-L148 HydrophobicContact CD1-CD1 4.49Å; F104-L148 HydrophobicContact CD1-CD2 4.35Å; F104-L148 HydrophobicContact CD1-CG 4.08Å; F104-L148 HydrophobicContact CD2-CD2 4.27Å; F104-L148 HydrophobicContact CE1-CD2 3.81Å; F104-L148 HydrophobicContact CE1-CG 3.84Å; F104-L148 HydrophobicContact CE2-CD2 3.71Å; F104-L148 HydrophobicContact CE2-CG 4.44Å; F104-L148 HydrophobicContact CG-CG 4.48Å; F104-L148 HydrophobicContact CZ-CD2 3.45Å; F104-L148 VanDerWaalsContact CZ-CD2 3.45Å; F104-L148 HydrophobicContact CZ-CG 4.03Å; F104-M151 HydrophobicContact CE1-SD 4.01Å; F104-M151 HydrophobicContact CZ-SD 3.73Å
105	H	95.3	Very high	91	Very high	65 Å²	65	55.5 Å²	55.5	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.6	177.1	-76.5	-79.3	0	0	0	112.5	F103 E142 L143 A145	F103-H105 AromaticContact CD1-CD2 3.87Å; F103-H105 AromaticContact CD1-CE1 3.78Å; F103-H105 AromaticContact CD1-NE2 3.57Å; F103-H105 AromaticContact CE1-CE1 3.53Å; F103-H105 AromaticContact CE1-ND1 3.75Å; F103-H105 AromaticContact CE1-NE2 3.83Å; H105-E142 IonicContact CD2-OE2 3.78Å; H105-E142 IonicContact CE1-OE2 3.5Å; H105-E142 PolarHBondContact CE1-OE2 3.24Å; H105-E142 VanDerWaalsContact CE1-OE2 3.27Å; H105-E142 WeakPolarHBondContact NE2-CG 3.31Å; H105-E142 IonicContact NE2-OE2 2.7Å; H105-E142 PolarHBondContact NE2-OE2 2.69Å; H105-L143 PolarHBondContact N-O 2.78Å; H105-A145 WeakPolarHBondContact O-CB 3.39Å; H105-A145 PolarHBondContact O-N 2.73Å
106	S	93.4	Very high	90.4	Very high	25 Å²	25	56.7 Å²	56.7	18%	0.175	32%	0.319	C	S	.	.			trans	-130.6	178.8	167.6	81.5	0	0	0	0	109.2	E70 H71 G72 S108 S109	E70-S106 WeakPolarHBondContact O-CB 3.48Å; E70-S106 PolarHBondContact O-OG 3.21Å; H71-S106 WeakPolarHBondContact CA-OG 3.42Å; H71-S106 PolarHBondContact O-OG 2.98Å; G72-S106 PolarHBondContact N-OG 3.38Å; S106-S108 PolarHBondContact O-N 2.99Å; S106-S108 VanDerWaalsContact O-N 3.11Å; S106-S108 PolarHBondContact OG-N 3.13Å; S106-S109 PolarHBondContact N-OG 2.82Å; S106-S109 PolarHBondContact O-N 3.44Å; S106-S109 PolarHBondContact O-OG 2.93Å; S106-S109 PolarHBondContact OG-N 2.77Å; S106-S109 VanDerWaalsContact OG-N 3.14Å
107	N	88.6	Confident	90	Very high	179 Å²	179	60.4 Å²	60.4	96%	0.957	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.5	171.9	-65.6	-16.1	0	0	0	113.1
108	S	88.7	Confident	89.5	Confident	55 Å²	55	62.9 Å²	62.9	39%	0.385	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	6.1	-178.4	-61.7	0	0	0	0	113.6	H71 S106	H71-S108 CarbonylContact O-C 3.57Å; S106-S108 PolarHBondContact O-N 2.99Å; S106-S108 VanDerWaalsContact O-N 3.11Å; S106-S108 PolarHBondContact OG-N 3.13Å
109	S	86.9	Confident	89.2	Confident	27 Å²	27	61.6 Å²	61.6	19%	0.189	33%	0.332	C	S	.	.			trans	-70.5	142.9	175.5	50.7	0	0	0	0	110.4	H71 T73 S106	H71-S109 WeakPolarHBondContact O-CA 3.44Å; H71-S109 PolarHBondContact O-N 2.78Å; T73-S109 WeakPolarHBondContact O-CB 3.47Å; S106-S109 PolarHBondContact N-OG 2.82Å; S106-S109 PolarHBondContact O-N 3.44Å; S106-S109 PolarHBondContact O-OG 2.93Å; S106-S109 PolarHBondContact OG-N 2.77Å; S106-S109 VanDerWaalsContact OG-N 3.14Å
110	V	86.7	Confident	88.9	Confident	55 Å²	55	62.6 Å²	62.6	33%	0.333	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.5	-175.5	175.8	0	0	0	0	109	R74 M75 L112	R74-V110 CarbonylContact C-O 3.49Å; R74-V110 WeakPolarHBondContact CA-O 3.35Å; R74-V110 HydrophobicContact CB-CB 4.49Å; R74-V110 HydrophobicContact CG-CB 4.39Å; M75-V110 PolarHBondContact N-O 3.48Å; V110-L112 HydrophobicContact CG1-CD1 3.63Å; V110-L112 HydrophobicContact CG1-CG 3.59Å
111	M	88.4	Confident	88.4	Confident	37 Å²	37	64.5 Å²	64.5	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	101.6	174	-169.7	176.9	59.8	0	0	109.3	M75 P113 N114 F140	M75-M111 HydrophobicContact CE-CB 4.49Å; M75-M111 HydrophobicContact CE-CG 3.23Å; M75-M111 HydrophobicContact CE-SD 3.98Å; M75-M111 HydrophobicContact SD-CG 4.27Å; M111-P113 CarbonylContact O-C 3.49Å; M111-N114 HydrophobicContact CE-CB 4.43Å; M111-N114 VanDerWaalsContact CE-OD1 3.28Å; M111-N114 WeakPolarHBondContact CE-OD1 2.93Å; M111-N114 PolarHBondContact O-N 3.25Å; M111-F140 HydrophobicContact SD-CZ 4.19Å
112	L	82.7	Confident	87.8	Confident	95 Å²	95	66.6 Å²	66.6	50%	0.497	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.7	-175.6	-66	174.5	0	0	0	111.7	M75 V76 C77 V110	M75-L112 PolarHBondContact O-N 2.71Å; V76-L112 CarbonylContact C-O 3.45Å; V76-L112 WeakPolarHBondContact CA-O 3.3Å; C77-L112 PolarHBondContact N-O 3.11Å; V110-L112 HydrophobicContact CG1-CD1 3.63Å; V110-L112 HydrophobicContact CG1-CG 3.59Å
113	P	85.4	Confident	87.4	Confident	57 Å²	57	66.7 Å²	66.7	37%	0.37	36%	0.36	S	S	.	.	S	Bend	cis	-66.2	154.3	-13.6	31	-34.8	0	0	0	111.2	M111 L115	M111-P113 CarbonylContact O-C 3.49Å; P113-L115 HydrophobicContact CG-CD2 3.91Å; P113-L115 HydrophobicContact CG-CG 4.29Å; P113-L115 PolarHBondContact O-N 3.34Å
114	N	83.4	Confident	87.1	Confident	120 Å²	120	66.8 Å²	66.8	64%	0.642	36%	0.361	S	S	*	.			trans	-75.8	108.9	168.3	-175.7	-5	0	0	0	109.1	M111 G116	M111-N114 HydrophobicContact CE-CB 4.43Å; M111-N114 VanDerWaalsContact CE-OD1 3.28Å; M111-N114 WeakPolarHBondContact CE-OD1 2.93Å; M111-N114 PolarHBondContact O-N 3.25Å; N114-G116 PolarHBondContact OD1-N 3.06Å; N114-G116 VanDerWaalsContact OD1-N 3.09Å
115	L	79.9	Confident	87	Confident	30 Å²	30	66.8 Å²	66.8	16%	0.157	36%	0.361	C	S	.	.			trans	-90	-15	-177.8	-63.5	174.1	0	0	0	113.7	R85 P113 S117 R118 R119 L124	R85-L115 VanDerWaalsContact NH1-CD1 3.3Å; P113-L115 HydrophobicContact CG-CD2 3.91Å; P113-L115 HydrophobicContact CG-CG 4.29Å; P113-L115 PolarHBondContact O-N 3.34Å; L115-S117 PolarHBondContact O-N 2.83Å; L115-R118 VanDerWaalsContact O-CB 3.27Å; L115-R118 WeakPolarHBondContact O-CB 3.47Å; L115-R118 PolarHBondContact O-N 3.03Å; L115-R119 HydrophobicContact CB-CB 3.99Å; L115-R119 HydrophobicContact CD1-CB 4.16Å; L115-L124 HydrophobicContact CD1-CD1 3.28Å
116	G	84.6	Confident	86.9	Confident	38 Å²	38	63.8 Å²	63.8	39%	0.392	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	47.2	-133.1	-172.7	0	0	0	0	0	112.3	N114 R118 R119	N114-G116 PolarHBondContact OD1-N 3.06Å; N114-G116 VanDerWaalsContact OD1-N 3.09Å; G116-R118 PolarHBondContact O-N 3.32Å; G116-R119 WeakPolarHBondContact O-CG 3.34Å; G116-R119 PolarHBondContact O-N 3.47Å
117	S	84.2	Confident	87	Confident	90 Å²	90	63.1 Å²	63.1	63%	0.629	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-66.4	-18.2	178.4	56.2	0	0	0	0	114.6	L115 R119 F120	L115-S117 PolarHBondContact O-N 2.83Å; S117-R119 PolarHBondContact O-N 3.24Å; S117-F120 PolarHBondContact O-N 2.84Å; S117-F120 VanDerWaalsContact O-N 3.17Å
118	R	81	Confident	87.3	Confident	188 Å²	188	54.6 Å²	54.6	71%	0.709	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20.2	178.6	-63	-175.4	177.6	178.6	-0.3	112.7	L115 G116 F120 Q121	L115-R118 VanDerWaalsContact O-CB 3.27Å; L115-R118 WeakPolarHBondContact O-CB 3.47Å; L115-R118 PolarHBondContact O-N 3.03Å; G116-R118 PolarHBondContact O-N 3.32Å; R118-F120 PolarHBondContact O-N 3.28Å; R118-F120 VanDerWaalsContact O-N 3.08Å; R118-Q121 PolarHBondContact O-N 2.92Å; R118-Q121 VanDerWaalsContact O-N 3.08Å
119	R	85.9	Confident	87.5	Confident	25 Å²	25	52 Å²	52	9%	0.094	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-64.3	-9.1	175.1	82.1	-176.3	-168.7	-170.5	-4.1	113.7	L115 G116 S117 A123 L124 E142	L115-R119 HydrophobicContact CB-CB 3.99Å; L115-R119 HydrophobicContact CD1-CB 4.16Å; G116-R119 WeakPolarHBondContact O-CG 3.34Å; G116-R119 PolarHBondContact O-N 3.47Å; S117-R119 PolarHBondContact O-N 3.24Å; R119-A123 CarbonylContact O-C 3.55Å; R119-A123 VanDerWaalsContact O-CA 3.28Å; R119-A123 WeakPolarHBondContact O-CA 3.34Å; R119-L124 HydrophobicContact CB-CB 4.38Å; R119-L124 HydrophobicContact CB-CD1 4.2Å; R119-L124 WeakPolarHBondContact O-CA 3.28Å; R119-L124 PolarHBondContact O-N 2.77Å; R119-E142 IonicContact CZ-OE1 3.2Å; R119-E142 IonicContact NH1-OE1 2.73Å; R119-E142 PolarHBondContact NH1-OE1 3.4Å; R119-E142 IonicContact NH1-OE2 2.7Å; R119-E142 IonicContact NH2-OE1 3.09Å; R119-E142 PolarHBondContact NH2-OE1 2.95Å
120	F	88.1	Confident	87.6	Confident	111 Å²	111	51.2 Å²	51.2	49%	0.487	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-110.1	17.3	176.3	-54.8	-65.1	0	0	0	112.3	S117 R118 P122	S117-F120 PolarHBondContact O-N 2.84Å; S117-F120 VanDerWaalsContact O-N 3.17Å; R118-F120 PolarHBondContact O-N 3.28Å; R118-F120 VanDerWaalsContact O-N 3.08Å; F120-P122 VanDerWaalsContact C-C 3.41Å; F120-P122 CarbonylContact C-O 3.54Å; F120-P122 CarbonylContact O-C 3.51Å
121	Q	84	Confident	87.3	Confident	143 Å²	143	52.8 Å²	52.8	67%	0.668	28%	0.275	S	S	*	.	S	Bend	trans	-130.3	85	-176	-67.2	-176.5	-4.8	0	0	111.1	R118	R118-Q121 PolarHBondContact O-N 2.92Å; R118-Q121 VanDerWaalsContact O-N 3.08Å
122	P	84.5	Confident	86.3	Confident	57 Å²	57	55.2 Å²	55.2	37%	0.37	29%	0.289	S	S	.	.	S	Bend	cis	-82.5	-23.7	-6.3	33.6	-34.2	0	0	0	113.4	H82 F120 Y137	H82-P122 WeakPolarHBondContact ND1-CD 3.16Å; F120-P122 VanDerWaalsContact C-C 3.41Å; F120-P122 CarbonylContact C-O 3.54Å; F120-P122 CarbonylContact O-C 3.51Å; P122-Y137 HydrophobicContact CB-CE2 3.97Å; P122-Y137 HydrophobicContact CG-CE2 4.5Å
123	A	89.9	Confident	86.1	Confident	3 Å²	3	52.6 Å²	52.6	3%	0.025	27%	0.274	C	S	.	.			trans	-157.6	176.6	-180	0	0	0	0	0	110.8	H82 R119 Y137	H82-A123 WeakPolarHBondContact CB-O 3.36Å; R119-A123 CarbonylContact O-C 3.55Å; R119-A123 VanDerWaalsContact O-CA 3.28Å; R119-A123 WeakPolarHBondContact O-CA 3.34Å; A123-Y137 HydrophobicContact CB-CD1 3.65Å; A123-Y137 HydrophobicContact CB-CD2 3.62Å; A123-Y137 HydrophobicContact CB-CE1 4.22Å; A123-Y137 HydrophobicContact CB-CE2 4.19Å; A123-Y137 HydrophobicContact CB-CG 3.32Å
124	L	90.9	Very high	85.6	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.286	C	S	.	.	S	Bend	trans	-69.8	-53.9	176.3	174.1	60	0	0	0	109.5	M75 R85 L115 R119 F138 F140	M75-L124 HydrophobicContact SD-CD2 4.25Å; R85-L124 WeakPolarHBondContact CD-O 3.46Å; R85-L124 PolarHBondContact NE-O 3.31Å; L115-L124 HydrophobicContact CD1-CD1 3.28Å; R119-L124 HydrophobicContact CB-CB 4.38Å; R119-L124 HydrophobicContact CB-CD1 4.2Å; R119-L124 WeakPolarHBondContact O-CA 3.28Å; R119-L124 PolarHBondContact O-N 2.77Å; L124-F138 WeakPolarHBondContact CB-O 3.45Å; L124-F138 HydrophobicContact CD2-CD1 3.88Å; L124-F138 HydrophobicContact CD2-CE1 3.94Å; L124-F140 HydrophobicContact CD2-CD1 3.95Å; L124-F140 HydrophobicContact CD2-CE1 3.45Å; L124-F140 VanDerWaalsContact CD2-CE1 3.45Å; L124-F140 HydrophobicContact CD2-CZ 4.43Å
125	L	93.8	Very high	85.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	171	177.5	63.3	85	0	0	0	111.7	H82 R85 C87 L127 F138 V242	H82-L125 VanDerWaalsContact O-CA 3.32Å; H82-L125 WeakPolarHBondContact O-CA 3.32Å; R85-L125 HydrophobicContact CB-CB 3.97Å; R85-L125 HydrophobicContact CG-CB 4.26Å; R85-L125 WeakPolarHBondContact O-CB 3.37Å; C87-L125 HydrophobicContact CB-CD2 3.78Å; C87-L125 WeakPolarHBondContact SG-CD2 3.27Å; L125-L127 HydrophobicContact CD1-CD2 4.24Å; L125-F138 HydrophobicContact CD1-CB 3.47Å; L125-F138 VanDerWaalsContact CD1-CB 3.47Å; L125-F138 HydrophobicContact CD1-CD1 4.19Å; L125-F138 HydrophobicContact CD1-CG 4.07Å; L125-F138 HydrophobicContact CD2-CD1 4.13Å; L125-F138 HydrophobicContact CG-CB 3.86Å; L125-F138 HydrophobicContact CG-CD1 3.96Å; L125-F138 HydrophobicContact CG-CG 4.3Å; L125-F138 PolarHBondContact O-N 2.88Å; L125-V242 HydrophobicContact CD1-CG1 4.06Å; L125-V242 HydrophobicContact CD2-CB 4.44Å; L125-V242 HydrophobicContact CD2-CG1 4.49Å; L125-V242 WeakPolarHBondContact CD2-O 3.38Å
126	D	94	Very high	85.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.5	172.8	-59.8	-26.7	0	0	0	112	H82 T83 Q136 Y137 G243 K246	H82-D126 IonicContact CD2-OD1 2.84Å; H82-D126 PolarHBondContact CD2-OD1 3.48Å; H82-D126 IonicContact CD2-OD2 3.48Å; H82-D126 PolarHBondContact O-N 3.39Å; T83-D126 WeakPolarHBondContact CA-OD2 3.18Å; D126-Q136 CarbonylContact C-O 3.46Å; D126-Y137 VanDerWaalsContact OD1-CD1 3.22Å; D126-Y137 WeakPolarHBondContact OD1-CD1 3.45Å; D126-Y137 VanDerWaalsContact OD1-CE1 3.3Å; D126-Y137 WeakPolarHBondContact OD1-CE1 3.44Å; D126-G243 WeakPolarHBondContact O-CA 3.11Å; D126-K246 IonicContact OD2-NZ 2.98Å; D126-K246 PolarHBondContact OD2-NZ 3.47Å
127	L	95.3	Very high	86.1	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.052	27%	0.267	C	S	.	.	S	Bend	trans	-83.2	-14.8	175.6	-69	174.5	0	0	0	113.3	L125 Q136 F138 L164 N165 V242	L125-L127 HydrophobicContact CD1-CD2 4.24Å; L127-Q136 WeakPolarHBondContact CB-O 3.4Å; L127-Q136 PolarHBondContact N-O 2.85Å; L127-F138 HydrophobicContact CD1-CB 4.22Å; L127-F138 HydrophobicContact CD1-CD2 4.38Å; L127-F138 HydrophobicContact CD2-CB 3.82Å; L127-F138 HydrophobicContact CD2-CD2 3.92Å; L127-F138 HydrophobicContact CD2-CG 4.15Å; L127-F138 HydrophobicContact CG-CB 3.79Å; L127-F138 HydrophobicContact CG-CD2 4.47Å; L127-L164 CarbonylContact O-C 3.56Å; L127-L164 WeakPolarHBondContact O-CA 3.31Å; L127-L164 WeakPolarHBondContact O-CB 3.35Å; L127-N165 HydrophobicContact CB-CB 3.79Å; L127-N165 PolarHBondContact O-N 2.85Å; L127-V242 HydrophobicContact CD2-CG1 3.51Å
128	S	94.8	Very high	86.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-120.6	159.5	179.1	174.2	0	0	0	0	110.2	V130 K246	S128-V130 PolarHBondContact O-N 2.83Å; S128-V130 PolarHBondContact OG-N 3.4Å; S128-K246 WeakPolarHBondContact O-CE 3.49Å
129	S	93.1	Very high	87.1	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	22%	0.219	C	C	.	.	S	Bend	trans	-76.1	-8	174.5	75.3	0	0	0	0	114	D178 K246	S129-D178 WeakPolarHBondContact CB-O 3.21Å; S129-D178 WeakPolarHBondContact OG-CA 3.18Å; S129-D178 PolarHBondContact OG-O 3.27Å; S129-K246 VanDerWaalsContact O-CD 3.27Å; S129-K246 WeakPolarHBondContact O-CD 3.37Å
130	V	89.1	Confident	87.5	Confident	10 Å²	10	42.8 Å²	42.8	6%	0.061	22%	0.217	C	C	.	.	S	Bend	trans	-72.6	132.3	175.3	179.9	0	0	0	0	109.5	S128 H133 F167 D178 K246 F255	S128-V130 PolarHBondContact O-N 2.83Å; S128-V130 PolarHBondContact OG-N 3.4Å; V130-H133 HydrophobicContact CG1-CB 4.29Å; V130-F167 HydrophobicContact CB-CD2 3.83Å; V130-F167 HydrophobicContact CB-CE2 3.91Å; V130-F167 HydrophobicContact CB-CG 4.28Å; V130-F167 HydrophobicContact CB-CZ 4.42Å; V130-F167 HydrophobicContact CG1-CD2 4.32Å; V130-F167 HydrophobicContact CG1-CE2 3.88Å; V130-F167 HydrophobicContact CG1-CZ 4.11Å; V130-F167 HydrophobicContact CG2-CB 4.08Å; V130-F167 HydrophobicContact CG2-CD1 3.6Å; V130-F167 HydrophobicContact CG2-CD2 3.43Å; V130-F167 VanDerWaalsContact CG2-CD2 3.43Å; V130-F167 HydrophobicContact CG2-CE1 3.9Å; V130-F167 HydrophobicContact CG2-CE2 3.74Å; V130-F167 HydrophobicContact CG2-CG 3.37Å; V130-F167 HydrophobicContact CG2-CZ 3.97Å; V130-D178 HydrophobicContact CG2-CB 4.12Å; V130-K246 PolarHBondContact O-NZ 2.78Å; V130-K246 VanDerWaalsContact O-NZ 3.14Å; V130-F255 HydrophobicContact CG1-CD2 4.25Å; V130-F255 HydrophobicContact CG1-CE2 3.88Å
131	E	80	Confident	87.8	Confident	88 Å²	88	39.6 Å²	39.6	41%	0.411	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	139.1	-176.8	-68.7	177.2	179.3	0	0	112.1	H133 K246 K262	E131-H133 PolarHBondContact O-N 2.97Å; E131-H133 VanDerWaalsContact O-N 3.15Å; E131-K246 HydrophobicContact CG-CD 3.77Å; E131-K262 WeakPolarHBondContact OE1-CE 3.44Å; E131-K262 IonicContact OE1-NZ 3.2Å; E131-K262 PolarHBondContact OE1-NZ 2.51Å; E131-K262 IonicContact OE2-NZ 2.74Å
132	D	67.4	Low	88.2	Confident	89 Å²	89	36.2 Å²	36.2	48%	0.476	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	37.4	168.9	-63	-32.3	0	0	0	114.8	H82	H82-D132 IonicContact CD2-OD1 3.86Å; H82-D132 IonicContact CE1-OD1 3.27Å; H82-D132 IonicContact NE2-OD1 2.66Å; H82-D132 PolarHBondContact NE2-OD1 3.45Å
133	H	77.8	Confident	88.7	Confident	39 Å²	39	36 Å²	36	18%	0.181	18%	0.184	C	C	.	.			trans	-98.9	106.2	173.5	-160.6	-68	0	0	0	110	V130 E131 T135 Q136 F255	V130-H133 HydrophobicContact CG1-CB 4.29Å; E131-H133 PolarHBondContact O-N 2.97Å; E131-H133 VanDerWaalsContact O-N 3.15Å; H133-T135 PolarHBondContact CE1-OG1 2.78Å; H133-T135 PolarHBondContact ND1-OG1 2.65Å; H133-T135 PolarHBondContact O-N 2.89Å; H133-Q136 HydrophobicContact CB-CG 3.86Å; H133-Q136 VanDerWaalsContact O-CB 3.3Å; H133-Q136 WeakPolarHBondContact O-CB 3.44Å; H133-Q136 PolarHBondContact O-N 3.46Å; H133-F255 AromaticContact CD2-CE1 3.83Å; H133-F255 AromaticContact CD2-CZ 3.99Å; H133-F255 AromaticContact NE2-CE1 3.92Å
134	N	75.5	Confident	89.1	Confident	114 Å²	114	39.8 Å²	39.8	61%	0.61	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-57.9	-25.7	-171	66.3	-20.3	0	0	0	115.3	Q136 Y137	N134-Q136 PolarHBondContact O-N 2.76Å; N134-Y137 HydrophobicContact CB-CD2 4.4Å; N134-Y137 HydrophobicContact CB-CE2 3.99Å
135	T	78.9	Confident	89.2	Confident	85 Å²	85	40 Å²	40	52%	0.521	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-72.8	-6.4	174.6	70.5	0	0	0	0	113.6	H133	H133-T135 PolarHBondContact CE1-OG1 2.78Å; H133-T135 PolarHBondContact ND1-OG1 2.65Å; H133-T135 PolarHBondContact O-N 2.89Å
136	Q	87.3	Confident	89.2	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.037	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-105	6.1	-175.8	-51.7	-57.4	-22.8	0	0	112.3	D126 L127 H133 N134 N165	D126-Q136 CarbonylContact C-O 3.46Å; L127-Q136 WeakPolarHBondContact CB-O 3.4Å; L127-Q136 PolarHBondContact N-O 2.85Å; H133-Q136 HydrophobicContact CB-CG 3.86Å; H133-Q136 VanDerWaalsContact O-CB 3.3Å; H133-Q136 WeakPolarHBondContact O-CB 3.44Å; H133-Q136 PolarHBondContact O-N 3.46Å; N134-Q136 PolarHBondContact O-N 2.76Å; Q136-N165 PolarHBondContact OE1-ND2 3.34Å
137	Y	91.6	Very high	89.3	Confident	64 Å²	64	43.2 Å²	43.2	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.3	-178	-67.4	-17.7	0	0	0	112.5	P122 A123 D126 N134	P122-Y137 HydrophobicContact CB-CE2 3.97Å; P122-Y137 HydrophobicContact CG-CE2 4.5Å; A123-Y137 HydrophobicContact CB-CD1 3.65Å; A123-Y137 HydrophobicContact CB-CD2 3.62Å; A123-Y137 HydrophobicContact CB-CE1 4.22Å; A123-Y137 HydrophobicContact CB-CE2 4.19Å; A123-Y137 HydrophobicContact CB-CG 3.32Å; D126-Y137 VanDerWaalsContact OD1-CD1 3.22Å; D126-Y137 WeakPolarHBondContact OD1-CD1 3.45Å; D126-Y137 VanDerWaalsContact OD1-CE1 3.3Å; D126-Y137 WeakPolarHBondContact OD1-CE1 3.44Å; N134-Y137 HydrophobicContact CB-CD2 4.4Å; N134-Y137 HydrophobicContact CB-CE2 3.99Å
138	F	94.1	Very high	89.2	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.3	169.6	178.7	-104.5	0	0	0	110.8	F89 L92 F101 L124 L125 L127 F140 V242	F89-F138 AromaticContact CE2-CE1 3.95Å; F89-F138 HydrophobicContact CE2-CE1 3.95Å; F89-F138 HydrophobicContact CE2-CZ 4.24Å; F89-F138 AromaticContact CZ-CE1 3.71Å; F89-F138 HydrophobicContact CZ-CE1 3.71Å; F89-F138 HydrophobicContact CZ-CZ 4.15Å; L92-F138 HydrophobicContact CD2-CE2 4.45Å; L92-F138 HydrophobicContact CD2-CZ 3.96Å; F101-F138 HydrophobicContact CB-CE2 4.27Å; F101-F138 HydrophobicContact CB-CZ 4.43Å; F101-F138 HydrophobicContact CD1-CE2 4.27Å; F101-F138 HydrophobicContact CD2-CD2 4.04Å; F101-F138 AromaticContact CD2-CE2 3.41Å; F101-F138 HydrophobicContact CD2-CE2 3.41Å; F101-F138 VanDerWaalsContact CD2-CE2 3.41Å; F101-F138 HydrophobicContact CD2-CZ 4.34Å; F101-F138 HydrophobicContact CE1-CE2 4.49Å; F101-F138 HydrophobicContact CE2-CD2 4.14Å; F101-F138 AromaticContact CE2-CE2 3.67Å; F101-F138 HydrophobicContact CE2-CE2 3.67Å; F101-F138 AromaticContact CG-CE2 3.73Å; F101-F138 HydrophobicContact CG-CE2 3.73Å; F101-F138 HydrophobicContact CG-CZ 4.26Å; F101-F138 HydrophobicContact CZ-CE2 4.21Å; L124-F138 WeakPolarHBondContact CB-O 3.45Å; L124-F138 HydrophobicContact CD2-CD1 3.88Å; L124-F138 HydrophobicContact CD2-CE1 3.94Å; L125-F138 HydrophobicContact CD1-CB 3.47Å; L125-F138 VanDerWaalsContact CD1-CB 3.47Å; L125-F138 HydrophobicContact CD1-CD1 4.19Å; L125-F138 HydrophobicContact CD1-CG 4.07Å; L125-F138 HydrophobicContact CD2-CD1 4.13Å; L125-F138 HydrophobicContact CG-CB 3.86Å; L125-F138 HydrophobicContact CG-CD1 3.96Å; L125-F138 HydrophobicContact CG-CG 4.3Å; L125-F138 PolarHBondContact O-N 2.88Å; L127-F138 HydrophobicContact CD1-CB 4.22Å; L127-F138 HydrophobicContact CD1-CD2 4.38Å; L127-F138 HydrophobicContact CD2-CB 3.82Å; L127-F138 HydrophobicContact CD2-CD2 3.92Å; L127-F138 HydrophobicContact CD2-CG 4.15Å; L127-F138 HydrophobicContact CG-CB 3.79Å; L127-F138 HydrophobicContact CG-CD2 4.47Å; F138-F140 AromaticContact CE1-CD1 3.83Å; F138-F140 HydrophobicContact CE1-CD1 3.83Å; F138-F140 HydrophobicContact CE1-CE1 4.49Å; F138-F140 HydrophobicContact CZ-CD1 4.23Å; F138-V242 HydrophobicContact CB-CG1 4.45Å; F138-V242 HydrophobicContact CD1-CG1 3.97Å; F138-V242 HydrophobicContact CD2-CG1 3.62Å; F138-V242 HydrophobicContact CE1-CG1 4.06Å; F138-V242 HydrophobicContact CE2-CG1 3.7Å; F138-V242 HydrophobicContact CG-CG1 3.75Å; F138-V242 HydrophobicContact CZ-CG1 3.93Å; F138-V242 HydrophobicContact CZ-CG2 4.33Å
139	N	92.1	Very high	89.1	Confident	57 Å²	57	51.2 Å²	51.2	31%	0.305	28%	0.277	S	S	.	.			trans	-147.4	165.8	167.6	-76.5	-64.7	0	0	0	109.7
140	F	94.4	Very high	89.1	Confident	13 Å²	13	59.9 Å²	59.9	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.2	172.5	56.7	-101.9	0	0	0	110.6	M75 F89 F101 F103 M111 L124 F138 E142	M75-F140 HydrophobicContact SD-CE1 3.69Å; M75-F140 HydrophobicContact SD-CZ 3.97Å; F89-F140 AromaticContact CE1-CD1 3.99Å; F89-F140 HydrophobicContact CE1-CD1 3.99Å; F89-F140 AromaticContact CE1-CE1 3.68Å; F89-F140 HydrophobicContact CE1-CE1 3.68Å; F89-F140 HydrophobicContact CE1-CZ 4.42Å; F89-F140 HydrophobicContact CZ-CD1 4.05Å; F89-F140 AromaticContact CZ-CE1 3.8Å; F89-F140 HydrophobicContact CZ-CE1 3.8Å; F101-F140 HydrophobicContact CB-CB 3.78Å; F101-F140 CarbonylContact O-C 3.37Å; F101-F140 VanDerWaalsContact O-CA 3.29Å; F101-F140 WeakPolarHBondContact O-CA 3.43Å; F101-F140 WeakPolarHBondContact O-CB 3.26Å; F103-F140 HydrophobicContact CB-CD2 3.33Å; F103-F140 HydrophobicContact CB-CE2 3.5Å; F103-F140 VanDerWaalsContact CB-CE2 3.5Å; F103-F140 HydrophobicContact CB-CG 4.07Å; F103-F140 HydrophobicContact CB-CZ 4.36Å; F103-F140 HydrophobicContact CD2-CD2 4.47Å; F103-F140 AromaticContact CD2-CE2 3.98Å; F103-F140 HydrophobicContact CD2-CE2 3.98Å; F103-F140 HydrophobicContact CD2-CZ 4.05Å; F103-F140 HydrophobicContact CG-CD2 4.16Å; F103-F140 AromaticContact CG-CE2 3.82Å; F103-F140 HydrophobicContact CG-CE2 3.82Å; F103-F140 HydrophobicContact CG-CZ 4.36Å; M111-F140 HydrophobicContact SD-CZ 4.19Å; L124-F140 HydrophobicContact CD2-CD1 3.95Å; L124-F140 HydrophobicContact CD2-CE1 3.45Å; L124-F140 VanDerWaalsContact CD2-CE1 3.45Å; L124-F140 HydrophobicContact CD2-CZ 4.43Å; F138-F140 AromaticContact CE1-CD1 3.83Å; F138-F140 HydrophobicContact CE1-CD1 3.83Å; F138-F140 HydrophobicContact CE1-CE1 4.49Å; F138-F140 HydrophobicContact CZ-CD1 4.23Å; F140-E142 HydrophobicContact CD2-CG 4.02Å; F140-E142 HydrophobicContact CE2-CG 3.82Å
141	L	94.4	Very high	89.3	Confident	43 Å²	43	62 Å²	62	23%	0.225	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	157.2	167.3	75.6	88.8	0	0	0	110.1	E100 F101 V102 F103 L143	E100-L141 HydrophobicContact CB-CD2 3.69Å; E100-L141 HydrophobicContact CG-CD2 4.42Å; E100-L141 WeakPolarHBondContact OE2-CD2 3.34Å; F101-L141 WeakPolarHBondContact O-CG 3.4Å; F101-L141 PolarHBondContact O-N 3.24Å; V102-L141 WeakPolarHBondContact CA-O 3.39Å; V102-L141 HydrophobicContact CB-CD1 4.22Å; V102-L141 HydrophobicContact CB-CG 4.34Å; V102-L141 HydrophobicContact CG1-CD1 3.75Å; V102-L141 HydrophobicContact CG1-CG 4.39Å; V102-L141 HydrophobicContact CG2-CD1 3.96Å; V102-L141 HydrophobicContact CG2-CD2 3.97Å; V102-L141 HydrophobicContact CG2-CG 3.91Å; F103-L141 PolarHBondContact N-O 2.94Å; L141-L143 HydrophobicContact CD1-CD1 3.77Å; L141-L143 HydrophobicContact CD1-CD2 4.25Å; L141-L143 HydrophobicContact CD1-CG 3.5Å
142	E	93.4	Very high	89.9	Confident	73 Å²	73	60.3 Å²	60.3	34%	0.341	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.3	-179	-72.9	171.2	-81.4	0	0	111.1	F103 H105 R119 F140	F103-E142 HydrophobicContact CB-CG 4.25Å; F103-E142 WeakPolarHBondContact O-CA 3.46Å; H105-E142 IonicContact CD2-OE2 3.78Å; H105-E142 IonicContact CE1-OE2 3.5Å; H105-E142 PolarHBondContact CE1-OE2 3.24Å; H105-E142 VanDerWaalsContact CE1-OE2 3.27Å; H105-E142 WeakPolarHBondContact NE2-CG 3.31Å; H105-E142 IonicContact NE2-OE2 2.7Å; H105-E142 PolarHBondContact NE2-OE2 2.69Å; R119-E142 IonicContact CZ-OE1 3.2Å; R119-E142 IonicContact NH1-OE1 2.73Å; R119-E142 PolarHBondContact NH1-OE1 3.4Å; R119-E142 IonicContact NH1-OE2 2.7Å; R119-E142 IonicContact NH2-OE1 3.09Å; R119-E142 PolarHBondContact NH2-OE1 2.95Å; F140-E142 HydrophobicContact CD2-CG 4.02Å; F140-E142 HydrophobicContact CE2-CG 3.82Å
143	L	95.8	Very high	91.1	Very high	53 Å²	53	64.2 Å²	64.2	28%	0.277	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.7	175.2	-70.7	176	0	0	0	110.8	V102 F103 F104 H105 L141 A147 M151	V102-L143 HydrophobicContact CG1-CB 4.32Å; V102-L143 HydrophobicContact CG1-CD1 3.93Å; V102-L143 HydrophobicContact CG1-CG 4.25Å; F103-L143 PolarHBondContact O-N 2.78Å; F104-L143 CarbonylContact C-O 3.58Å; F104-L143 VanDerWaalsContact CA-O 3.26Å; F104-L143 WeakPolarHBondContact CA-O 3.48Å; F104-L143 HydrophobicContact CD1-CB 3.99Å; F104-L143 HydrophobicContact CE1-CB 3.97Å; F104-L143 HydrophobicContact CE1-CD1 4.19Å; H105-L143 PolarHBondContact N-O 2.78Å; L141-L143 HydrophobicContact CD1-CD1 3.77Å; L141-L143 HydrophobicContact CD1-CD2 4.25Å; L141-L143 HydrophobicContact CD1-CG 3.5Å; L143-A147 HydrophobicContact CB-CB 4.32Å; L143-M151 HydrophobicContact CD1-CE 4.32Å; L143-M151 HydrophobicContact CD1-SD 4Å
144	P	96.5	Very high	91.9	Very high	81 Å²	81	62.8 Å²	62.8	53%	0.526	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.3	167.4	28.7	-33.1	0	0	0	110.2	G146 A147	P144-G146 PolarHBondContact O-N 3.09Å; P144-G146 VanDerWaalsContact O-N 3.08Å; P144-A147 HydrophobicContact CG-CB 4.32Å; P144-A147 WeakPolarHBondContact O-CB 3.3Å; P144-A147 PolarHBondContact O-N 3.24Å
145	A	94.9	Very high	92.8	Very high	8 Å²	8	59.4 Å²	59.4	7%	0.066	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.5	-28	177.3	0	0	0	0	0	112.4	F104 H105 A147 L148	F104-A145 HydrophobicContact CB-CB 4.38Å; H105-A145 WeakPolarHBondContact O-CB 3.39Å; H105-A145 PolarHBondContact O-N 2.73Å; A145-A147 PolarHBondContact O-N 2.99Å; A145-A147 VanDerWaalsContact O-N 3.17Å; A145-L148 VanDerWaalsContact O-CB 3.31Å; A145-L148 WeakPolarHBondContact O-CB 3.4Å; A145-L148 WeakPolarHBondContact O-CD1 3.36Å; A145-L148 WeakPolarHBondContact O-CG 3.44Å; A145-L148 PolarHBondContact O-N 3.43Å; A145-L148 VanDerWaalsContact O-N 3.12Å
146	G	93.5	Very high	93.5	Very high	46 Å²	46	55.9 Å²	55.9	47%	0.474	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22.7	172.2	0	0	0	0	0	114.6	P144 L148 K149	P144-G146 PolarHBondContact O-N 3.09Å; P144-G146 VanDerWaalsContact O-N 3.08Å; G146-L148 PolarHBondContact O-N 2.98Å; G146-K149 PolarHBondContact O-N 3.43Å
147	A	95	Very high	93.8	Very high	23 Å²	23	55.5 Å²	55.5	19%	0.19	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-64.9	-23.6	176.3	0	0	0	0	0	112.8	L143 P144 A145 K149 F150 M151	L143-A147 HydrophobicContact CB-CB 4.32Å; P144-A147 HydrophobicContact CG-CB 4.32Å; P144-A147 WeakPolarHBondContact O-CB 3.3Å; P144-A147 PolarHBondContact O-N 3.24Å; A145-A147 PolarHBondContact O-N 2.99Å; A145-A147 VanDerWaalsContact O-N 3.17Å; A147-K149 PolarHBondContact O-N 2.95Å; A147-F150 PolarHBondContact O-N 3.39Å; A147-M151 PolarHBondContact O-N 2.84Å
148	L	94.1	Very high	93.7	Very high	11 Å²	11	54 Å²	54	6%	0.058	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-54.6	-26.7	178.2	-72.4	162.7	0	0	0	113.2	L68 Q69 F104 A145 G146 F150 M151 P154 L234	L68-L148 HydrophobicContact CD2-CD1 4.03Å; L68-L148 HydrophobicContact CD2-CD2 4.08Å; L68-L148 HydrophobicContact CG-CD1 3.71Å; Q69-L148 HydrophobicContact CG-CD1 3.93Å; F104-L148 HydrophobicContact CD1-CD1 4.49Å; F104-L148 HydrophobicContact CD1-CD2 4.35Å; F104-L148 HydrophobicContact CD1-CG 4.08Å; F104-L148 HydrophobicContact CD2-CD2 4.27Å; F104-L148 HydrophobicContact CE1-CD2 3.81Å; F104-L148 HydrophobicContact CE1-CG 3.84Å; F104-L148 HydrophobicContact CE2-CD2 3.71Å; F104-L148 HydrophobicContact CE2-CG 4.44Å; F104-L148 HydrophobicContact CG-CG 4.48Å; F104-L148 HydrophobicContact CZ-CD2 3.45Å; F104-L148 VanDerWaalsContact CZ-CD2 3.45Å; F104-L148 HydrophobicContact CZ-CG 4.03Å; A145-L148 VanDerWaalsContact O-CB 3.31Å; A145-L148 WeakPolarHBondContact O-CB 3.4Å; A145-L148 WeakPolarHBondContact O-CD1 3.36Å; A145-L148 WeakPolarHBondContact O-CG 3.44Å; A145-L148 PolarHBondContact O-N 3.43Å; A145-L148 VanDerWaalsContact O-N 3.12Å; G146-L148 PolarHBondContact O-N 2.98Å; L148-F150 PolarHBondContact O-N 2.89Å; L148-M151 PolarHBondContact O-N 3.34Å; L148-P154 HydrophobicContact CD2-CG 4.25Å; L148-L234 HydrophobicContact CD2-CD2 4.19Å
149	K	92.6	Very high	93.7	Very high	168 Å²	168	54.8 Å²	54.8	73%	0.73	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-63.2	-23.2	176.3	-65.3	-179.5	-179.3	178.5	0	113.4	G146 A147	G146-K149 PolarHBondContact O-N 3.43Å; A147-K149 PolarHBondContact O-N 2.95Å
150	F	93.4	Very high	93.9	Very high	183 Å²	183	53.7 Å²	53.7	80%	0.803	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-110.3	1.1	-176.8	-51.2	-72.7	0	0	0	112.6	A147 L148	A147-F150 PolarHBondContact O-N 3.39Å; L148-F150 PolarHBondContact O-N 2.89Å
151	M	93.3	Very high	94	Very high	55 Å²	55	53.1 Å²	53.1	27%	0.271	28%	0.282	S	S	.	.	S	Bend	trans	-99.1	161.5	179.8	-64.2	-157.6	92.9	0	0	111.5	F104 L143 A147 L148 L234	F104-M151 HydrophobicContact CE1-SD 4.01Å; F104-M151 HydrophobicContact CZ-SD 3.73Å; L143-M151 HydrophobicContact CD1-CE 4.32Å; L143-M151 HydrophobicContact CD1-SD 4Å; A147-M151 PolarHBondContact O-N 2.84Å; L148-M151 PolarHBondContact O-N 3.34Å; M151-L234 HydrophobicContact CB-CD2 4.16Å; M151-L234 HydrophobicContact SD-CD2 4.47Å
152	P	92.6	Very high	94.2	Very high	51 Å²	51	51 Å²	51	33%	0.331	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-52.8	150.6	169	-25.1	35	0	0	0	111.6	P154 K233 L234	P152-P154 WeakPolarHBondContact O-CD 3.34Å; P152-K233 HydrophobicContact CB-CB 3.66Å; P152-K233 HydrophobicContact CB-CD 4.26Å; P152-K233 HydrophobicContact CG-CB 3.7Å; P152-K233 HydrophobicContact CG-CD 3.89Å; P152-K233 HydrophobicContact CG-CG 4.46Å; P152-L234 HydrophobicContact CB-CB 4.46Å
153	K	92.9	Very high	94.5	Very high	172 Å²	172	47.6 Å²	47.6	75%	0.748	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-56.1	125	177.7	-71.4	-173.7	179.1	-178.6	0	109.7
154	P	94.3	Very high	94.6	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	143.2	175.8	-23.5	32.3	0	0	0	111.3	Y61 L65 L148 P152 F156 L234	Y61-P154 WeakPolarHBondContact CE2-O 3.43Å; L65-P154 HydrophobicContact CD1-CG 4.07Å; L148-P154 HydrophobicContact CD2-CG 4.25Å; P152-P154 WeakPolarHBondContact O-CD 3.34Å; P154-F156 HydrophobicContact CB-CE1 4.46Å; P154-F156 HydrophobicContact CB-CE2 3.98Å; P154-F156 HydrophobicContact CB-CZ 3.9Å; P154-F156 HydrophobicContact CG-CZ 4.49Å; P154-L234 CarbonylContact C-O 3.53Å; P154-L234 WeakPolarHBondContact CA-O 3.33Å; P154-L234 HydrophobicContact CB-CD2 4.36Å; P154-L234 HydrophobicContact CG-CD2 3.93Å
155	V	94.1	Very high	94.6	Very high	42 Å²	42	41.6 Å²	41.6	26%	0.255	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	118	166.5	175.8	0	0	0	0	107	L234 M235 C236	V155-L234 PolarHBondContact N-O 2.9Å; V155-M235 HydrophobicContact CB-CE 4.36Å; V155-M235 HydrophobicContact CB-SD 3.66Å; V155-M235 HydrophobicContact CG1-CE 3.95Å; V155-M235 HydrophobicContact CG1-SD 3.82Å; V155-M235 HydrophobicContact CG2-SD 4.49Å; V155-M235 CarbonylContact O-C 3.56Å; V155-M235 WeakPolarHBondContact O-CA 3.46Å; V155-C236 PolarHBondContact O-N 2.94Å
156	F	93.7	Very high	94.7	Very high	12 Å²	12	41.2 Å²	41.2	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.2	-175.3	-67.1	-79.1	0	0	0	111.2	I59 Y61 A64 L65 L68 Y91 P154 P158 C236 T238	I59-F156 HydrophobicContact CD1-CB 3.95Å; I59-F156 HydrophobicContact CD1-CG 4.43Å; I59-F156 HydrophobicContact CG2-CB 4.16Å; Y61-F156 AromaticContact CD2-CD2 3.99Å; Y61-F156 HydrophobicContact CD2-CD2 3.99Å; Y61-F156 HydrophobicContact CD2-CE2 4.13Å; Y61-F156 HydrophobicContact CE2-CD2 4.16Å; Y61-F156 HydrophobicContact CE2-CE2 4.01Å; A64-F156 HydrophobicContact CB-CD1 4.03Å; A64-F156 HydrophobicContact CB-CD2 3.76Å; A64-F156 HydrophobicContact CB-CE1 4.05Å; A64-F156 HydrophobicContact CB-CE2 3.78Å; A64-F156 HydrophobicContact CB-CG 3.89Å; A64-F156 HydrophobicContact CB-CZ 3.93Å; L65-F156 HydrophobicContact CB-CE2 4.21Å; L65-F156 HydrophobicContact CB-CZ 4.35Å; L68-F156 HydrophobicContact CD2-CE1 4.09Å; L68-F156 HydrophobicContact CD2-CZ 4.23Å; Y91-F156 HydrophobicContact CD1-CD1 4.2Å; Y91-F156 AromaticContact CD1-CE1 3.87Å; Y91-F156 HydrophobicContact CD1-CE1 3.87Å; Y91-F156 HydrophobicContact CE1-CD1 4.34Å; Y91-F156 HydrophobicContact CE1-CE1 4.13Å; P154-F156 HydrophobicContact CB-CE1 4.46Å; P154-F156 HydrophobicContact CB-CE2 3.98Å; P154-F156 HydrophobicContact CB-CZ 3.9Å; P154-F156 HydrophobicContact CG-CZ 4.49Å; F156-P158 WeakPolarHBondContact O-CD 3.41Å; F156-C236 CarbonylContact C-O 3.53Å; F156-C236 VanDerWaalsContact CA-O 3.26Å; F156-C236 WeakPolarHBondContact CA-O 3.46Å; F156-C236 HydrophobicContact CD1-CB 3.62Å; F156-C236 HydrophobicContact CE1-CB 3.69Å; F156-T238 HydrophobicContact CB-CG2 4.39Å; F156-T238 HydrophobicContact CD1-CG2 4.38Å
157	V	92.9	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111.3	168.3	-178.6	0	0	0	0	107.1	L54 T161 M235 C236 F237 T238	L54-V157 HydrophobicContact CD1-CG1 4.37Å; V157-T161 HydrophobicContact CG1-CG2 3.9Å; V157-M235 HydrophobicContact CG2-CE 3.64Å; V157-C236 PolarHBondContact N-O 2.87Å; V157-F237 HydrophobicContact CB-CD1 3.76Å; V157-F237 HydrophobicContact CB-CE1 4.24Å; V157-F237 HydrophobicContact CG1-CD1 4.05Å; V157-F237 HydrophobicContact CG1-CE1 4.41Å; V157-F237 HydrophobicContact CG2-CD1 3.83Å; V157-F237 HydrophobicContact CG2-CE1 3.83Å; V157-T238 WeakPolarHBondContact O-CG2 3.36Å; V157-T238 PolarHBondContact O-N 3.43Å; V157-T238 VanDerWaalsContact O-N 3.14Å; V157-T238 PolarHBondContact O-OG1 2.55Å; V157-T238 VanDerWaalsContact O-OG1 3.05Å
158	P	90.6	Very high	94.7	Very high	33 Å²	33	41.4 Å²	41.4	21%	0.214	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-22.8	-171.5	31.6	-35.5	0	0	0	113.3	A57 I59 F156 T238	A57-P158 HydrophobicContact CB-CB 4.11Å; A57-P158 HydrophobicContact CB-CG 3.36Å; I59-P158 HydrophobicContact CB-CB 4.08Å; I59-P158 HydrophobicContact CG2-CB 4.35Å; F156-P158 WeakPolarHBondContact O-CD 3.41Å; P158-T238 PolarHBondContact O-OG1 3.24Å
159	D	92.5	Very high	94.7	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	150.5	-178.9	-51.9	-52	0	0	0	111.2	T161 R198	D159-T161 WeakPolarHBondContact O-CG2 3.49Å; D159-T161 PolarHBondContact O-N 2.88Å; D159-R198 HydrophobicContact CB-CB 4.02Å; D159-R198 IonicContact OD2-CZ 3.81Å; D159-R198 IonicContact OD2-NE 2.78Å; D159-R198 PolarHBondContact OD2-NE 3.2Å; D159-R198 IonicContact OD2-NH2 3.36Å; D159-R198 PolarHBondContact OD2-NH2 2.94Å
160	V	96.2	Very high	94.8	Very high	35 Å²	35	38.5 Å²	38.5	21%	0.212	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126	163.3	-171.7	0	0	0	0	107.4	D192 L193 A197 R198 K239 Y241	V160-D192 WeakPolarHBondContact CG1-O 3.3Å; V160-L193 HydrophobicContact CG1-CD2 3.84Å; V160-A197 CarbonylContact O-C 3.58Å; V160-A197 VanDerWaalsContact O-CA 3.23Å; V160-A197 WeakPolarHBondContact O-CA 3.33Å; V160-A197 WeakPolarHBondContact O-CB 3.45Å; V160-R198 PolarHBondContact O-N 2.87Å; V160-K239 WeakPolarHBondContact CA-O 3.45Å; V160-K239 HydrophobicContact CG1-CD 4.34Å; V160-K239 HydrophobicContact CG1-CG 4.25Å; V160-K239 HydrophobicContact CG2-CD 4.15Å; V160-Y241 HydrophobicContact CG1-CD2 4.08Å; V160-Y241 HydrophobicContact CG1-CE2 3.95Å
161	T	98	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.5	-176.2	67.3	0	0	0	0	113.2	V157 D159 R198 V200 F237 K239 S240 Y241	V157-T161 HydrophobicContact CG1-CG2 3.9Å; D159-T161 WeakPolarHBondContact O-CG2 3.49Å; D159-T161 PolarHBondContact O-N 2.88Å; T161-R198 CarbonylContact C-O 3.47Å; T161-R198 WeakPolarHBondContact CA-O 3.06Å; T161-R198 WeakPolarHBondContact CB-O 3.13Å; T161-R198 HydrophobicContact CG2-CB 4.2Å; T161-V200 HydrophobicContact CG2-CG2 4.08Å; T161-F237 HydrophobicContact CG2-CD1 3.76Å; T161-F237 HydrophobicContact CG2-CE1 4.36Å; T161-K239 PolarHBondContact N-O 3.17Å; T161-S240 CarbonylContact O-C 3.5Å; T161-S240 WeakPolarHBondContact O-CA 3.44Å; T161-S240 WeakPolarHBondContact OG1-CA 3.44Å; T161-S240 WeakPolarHBondContact OG1-CB 3.32Å; T161-Y241 PolarHBondContact O-N 2.84Å
162	L	98.6	Very high	95	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.7	162.1	-179.7	64.4	0	0	0	107.9	L164 A183 T186 M187 L193 R198 L199 V200 Y241 L244	L162-L164 HydrophobicContact CD2-CD2 4.31Å; L162-L164 HydrophobicContact CG-CD2 4.02Å; L162-L164 WeakPolarHBondContact O-CD2 3.38Å; L162-A183 HydrophobicContact CD2-CB 4.28Å; L162-T186 HydrophobicContact CD1-CG2 3.99Å; L162-M187 HydrophobicContact CD2-CG 3.89Å; L162-M187 HydrophobicContact CD2-SD 4.49Å; L162-L193 HydrophobicContact CB-CD2 4.13Å; L162-L193 HydrophobicContact CD1-CD1 4.18Å; L162-R198 PolarHBondContact N-O 3.04Å; L162-L199 HydrophobicContact CB-CD2 4.04Å; L162-L199 HydrophobicContact CD2-CD2 3.99Å; L162-L199 HydrophobicContact CG-CD2 4.45Å; L162-V200 PolarHBondContact O-N 2.8Å; L162-Y241 CarbonylContact C-O 3.56Å; L162-Y241 WeakPolarHBondContact CA-O 3.4Å; L162-L244 HydrophobicContact CD2-CD2 4.14Å
163	I	98.5	Very high	95.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.2	179.5	-52.2	-175.9	0	0	0	108.6	L92 F101 V200 M202 F237 Y241 V242 G243	L92-I163 HydrophobicContact CD2-CD1 4.33Å; F101-I163 HydrophobicContact CE1-CD1 4.08Å; F101-I163 HydrophobicContact CZ-CD1 4.31Å; F101-I163 HydrophobicContact CZ-CG2 4.08Å; I163-V200 WeakPolarHBondContact CA-O 3.38Å; I163-V200 HydrophobicContact CG1-CB 4.13Å; I163-M202 HydrophobicContact CG2-CG 3.54Å; I163-F237 HydrophobicContact CD1-CD2 4.05Å; I163-F237 HydrophobicContact CD1-CE2 4.18Å; I163-F237 HydrophobicContact CD1-CG 4.28Å; I163-Y241 PolarHBondContact N-O 3.26Å; I163-V242 HydrophobicContact CB-CG1 4.32Å; I163-V242 HydrophobicContact CB-CG2 4.19Å; I163-V242 HydrophobicContact CD1-CG2 4.19Å; I163-V242 HydrophobicContact CG1-CG2 4.46Å; I163-V242 HydrophobicContact CG2-CG1 4.44Å; I163-G243 PolarHBondContact O-N 3.11Å; I163-G243 VanDerWaalsContact O-N 3.1Å
164	L	97.7	Very high	95.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	171.1	-177.3	67.8	154.9	0	0	0	110.6	L127 L162 A183 L199 V200 F201 M202 L244	L127-L164 CarbonylContact O-C 3.56Å; L127-L164 WeakPolarHBondContact O-CA 3.31Å; L127-L164 WeakPolarHBondContact O-CB 3.35Å; L162-L164 HydrophobicContact CD2-CD2 4.31Å; L162-L164 HydrophobicContact CG-CD2 4.02Å; L162-L164 WeakPolarHBondContact O-CD2 3.38Å; L164-A183 HydrophobicContact CD1-CB 4.41Å; L164-L199 HydrophobicContact CD2-CD2 4.37Å; L164-V200 PolarHBondContact N-O 2.82Å; L164-V200 VanDerWaalsContact O-O 3.12Å; L164-F201 HydrophobicContact CD1-CD1 4.4Å; L164-F201 HydrophobicContact CD1-CE1 3.92Å; L164-F201 HydrophobicContact CD2-CD1 4.03Å; L164-F201 HydrophobicContact CD2-CE1 3.78Å; L164-F201 HydrophobicContact CG-CD1 3.9Å; L164-F201 HydrophobicContact CG-CE1 3.83Å; L164-F201 WeakPolarHBondContact O-CA 3.41Å; L164-M202 PolarHBondContact O-N 3.42Å; L164-M202 VanDerWaalsContact O-N 3.16Å; L164-L244 HydrophobicContact CB-CD1 4.02Å; L164-L244 HydrophobicContact CB-CD2 4.15Å; L164-L244 HydrophobicContact CB-CG 3.96Å; L164-L244 HydrophobicContact CD1-CD1 3.73Å; L164-L244 HydrophobicContact CD1-CD2 4.11Å; L164-L244 HydrophobicContact CD1-CG 4.29Å
165	N	97.4	Very high	95.7	Very high	8 Å²	8	20 Å²	20	4%	0.043	11%	0.109	C	C	.	.			trans	-112.5	134.1	166.1	-77.7	-0.8	0	0	0	109.2	L127 Q136 M202 E203	L127-N165 HydrophobicContact CB-CB 3.79Å; L127-N165 PolarHBondContact O-N 2.85Å; Q136-N165 PolarHBondContact OE1-ND2 3.34Å; N165-M202 VanDerWaalsContact OD1-C 3.26Å; N165-M202 WeakPolarHBondContact OD1-CA 3.11Å; N165-M202 WeakPolarHBondContact OD1-CB 3.06Å; N165-E203 VanDerWaalsContact CA-OE2 3.31Å; N165-E203 WeakPolarHBondContact CA-OE2 3.46Å; N165-E203 HydrophobicContact CB-CB 4.07Å; N165-E203 PolarHBondContact OD1-N 2.92Å; N165-E203 VanDerWaalsContact OD1-N 3.14Å
166	R	96.8	Very high	95.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.			trans	-67.7	143.4	164	-64.3	175	-65.5	166.4	-1.1	108.9	P169 D179 F201 E203 W205 G206 E207 Y214	R166-P169 HydrophobicContact CB-CB 4.5Å; R166-D179 WeakPolarHBondContact CA-OD1 3.35Å; R166-F201 HydrophobicContact CG-CD1 3.69Å; R166-F201 HydrophobicContact CG-CE1 3.75Å; R166-F201 HydrophobicContact CG-CG 4.23Å; R166-F201 HydrophobicContact CG-CZ 4.33Å; R166-E203 IonicContact CZ-OE1 3.78Å; R166-E203 PolarHBondContact N-OE2 3.36Å; R166-E203 VanDerWaalsContact N-OE2 3.09Å; R166-E203 IonicContact NE-OE1 2.75Å; R166-E203 PolarHBondContact NE-OE1 3.39Å; R166-E203 IonicContact NH2-OE1 2.62Å; R166-E203 PolarHBondContact NH2-OE1 3.45Å; R166-W205 HydrophobicContact CB-CE3 4.23Å; R166-W205 HydrophobicContact CB-CZ3 4.28Å; R166-W205 PolarHBondContact NH2-O 3.49Å; R166-W205 VanDerWaalsContact NH2-O 3.11Å; R166-W205 WeakPolarHBondContact O-CZ3 3.28Å; R166-G206 PolarHBondContact NH1-O 3.04Å; R166-G206 PolarHBondContact NH2-O 3.04Å; R166-E207 PolarHBondContact NH1-O 3.47Å; R166-Y214 VanDerWaalsContact CD-CZ 3.42Å; R166-Y214 WeakPolarHBondContact CD-OH 3.44Å; R166-Y214 HydrophobicContact CG-CE1 3.74Å
167	F	94.7	Very high	96.1	Very high	20 Å²	20	17.4 Å²	17.4	9%	0.088	10%	0.095	C	C	.	.	S	Bend	trans	-90.2	-41.5	-176.5	-178.4	-109.5	0	0	0	114.7	V130 H174 D178 D179 W205 Y253 F255	V130-F167 HydrophobicContact CB-CD2 3.83Å; V130-F167 HydrophobicContact CB-CE2 3.91Å; V130-F167 HydrophobicContact CB-CG 4.28Å; V130-F167 HydrophobicContact CB-CZ 4.42Å; V130-F167 HydrophobicContact CG1-CD2 4.32Å; V130-F167 HydrophobicContact CG1-CE2 3.88Å; V130-F167 HydrophobicContact CG1-CZ 4.11Å; V130-F167 HydrophobicContact CG2-CB 4.08Å; V130-F167 HydrophobicContact CG2-CD1 3.6Å; V130-F167 HydrophobicContact CG2-CD2 3.43Å; V130-F167 VanDerWaalsContact CG2-CD2 3.43Å; V130-F167 HydrophobicContact CG2-CE1 3.9Å; V130-F167 HydrophobicContact CG2-CE2 3.74Å; V130-F167 HydrophobicContact CG2-CG 3.37Å; V130-F167 HydrophobicContact CG2-CZ 3.97Å; F167-H174 HydrophobicContact CD1-CB 4.28Å; F167-H174 AromaticContact CD1-CE1 3.85Å; F167-H174 AromaticContact CD1-CG 3.9Å; F167-H174 AromaticContact CD1-ND1 3.44Å; F167-H174 WeakPolarHBondContact CD1-ND1 3.38Å; F167-H174 AromaticContact CE1-CE1 3.55Å; F167-H174 AromaticContact CE1-ND1 3.66Å; F167-D178 HydrophobicContact CB-CB 3.93Å; F167-D178 HydrophobicContact CG-CB 4.48Å; F167-D179 PolarHBondContact N-OD1 3.22Å; F167-W205 VanDerWaalsContact C-CZ3 3.5Å; F167-W205 WeakPolarHBondContact O-CH2 3.47Å; F167-W205 WeakPolarHBondContact O-CZ3 3.13Å; F167-Y253 HydrophobicContact CE1-CD2 4.39Å; F167-F255 HydrophobicContact CE1-CZ 4.47Å; F167-F255 HydrophobicContact CE2-CZ 4.47Å; F167-F255 AromaticContact CZ-CE2 3.93Å; F167-F255 HydrophobicContact CZ-CE2 3.93Å; F167-F255 AromaticContact CZ-CZ 3.63Å; F167-F255 HydrophobicContact CZ-CZ 3.63Å
168	N	94.1	Very high	96.3	Very high	53 Å²	53	17.5 Å²	17.5	28%	0.283	10%	0.095	S	C	.	.			trans	-162.6	81.5	175.6	-176	2.1	0	0	0	109.4	D170 N171 H174	N168-D170 PolarHBondContact O-N 3.39Å; N168-N171 PolarHBondContact O-N 2.83Å; N168-N171 VanDerWaalsContact O-N 3.08Å; N168-H174 HydrophobicContact CB-CB 3.82Å; N168-H174 PolarHBondContact ND2-CD2 3.46Å
169	P	94.8	Very high	96.6	Very high	7 Å²	7	16 Å²	16	5%	0.045	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.6	-165.8	30.5	-40.1	0	0	0	113.5	R166 N171 V175 W205 H210	R166-P169 HydrophobicContact CB-CB 4.5Å; P169-N171 VanDerWaalsContact C-N 3.29Å; P169-V175 WeakPolarHBondContact O-CG2 3.46Å; P169-W205 HydrophobicContact CG-CD2 4.07Å; P169-W205 HydrophobicContact CG-CE3 3.35Å; P169-W205 HydrophobicContact CG-CZ3 3.88Å; P169-H210 PolarHBondContact O-CD2 2.66Å; P169-H210 VanDerWaalsContact O-CD2 3.32Å
170	D	93.9	Very high	96.9	Very high	111 Å²	111	15.1 Å²	15.1	59%	0.594	8%	0.081	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.3	176.4	-65.5	-20.7	0	0	0	112.3	N168 P209	N168-D170 PolarHBondContact O-N 3.39Å; D170-P209 HydrophobicContact CB-CG 4.5Å; D170-P209 WeakPolarHBondContact OD1-CD 3.29Å
171	N	95.1	Very high	97	Very high	51 Å²	51	13.5 Å²	13.5	27%	0.273	7%	0.071	S	C	.	.	S	Bend	trans	-116.5	109.6	-177.6	-177.2	-39.6	0	0	0	110.6	N168 P169 M173 H174 V175 A369	N168-N171 PolarHBondContact O-N 2.83Å; N168-N171 VanDerWaalsContact O-N 3.08Å; P169-N171 VanDerWaalsContact C-N 3.29Å; N171-M173 PolarHBondContact O-N 3.28Å; N171-M173 WeakPolarHBondContact OD1-CB 3.42Å; N171-M173 PolarHBondContact OD1-N 2.86Å; N171-H174 HydrophobicContact CB-CB 4.47Å; N171-H174 WeakPolarHBondContact O-CB 3.41Å; N171-H174 PolarHBondContact O-N 3.47Å; N171-V175 PolarHBondContact O-N 3.07Å; N171-A369 WeakPolarHBondContact OD1-CB 3.4Å
172	L	96.8	Very high	97	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-52.9	-32.6	-176.4	-162.5	65.2	0	0	0	114.5	F176 L213 L345 F350 A369 I372 T373	L172-F176 HydrophobicContact CD1-CD2 3.94Å; L172-F176 HydrophobicContact CD1-CE2 3.74Å; L172-F176 HydrophobicContact CG-CD2 4Å; L172-F176 HydrophobicContact CG-CE2 4.13Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 PolarHBondContact O-N 3.35Å; L172-F176 VanDerWaalsContact O-N 3.11Å; L172-L213 HydrophobicContact CD1-CD1 3.79Å; L172-L345 HydrophobicContact CD2-CD1 3.97Å; L172-L345 HydrophobicContact CD2-CD2 4.04Å; L172-F350 HydrophobicContact CD1-CE2 4.23Å; L172-F350 HydrophobicContact CD2-CE2 3.95Å; L172-A369 HydrophobicContact CB-CB 4.13Å; L172-I372 HydrophobicContact CB-CG2 4.47Å; L172-I372 HydrophobicContact CD2-CG2 4.19Å; L172-I372 HydrophobicContact CG-CG2 3.94Å; L172-T373 HydrophobicContact CD2-CG2 4.34Å
173	M	97.1	Very high	97	Very high	7 Å²	7	13.6 Å²	13.6	3%	0.034	7%	0.071	C	C	.	.	H	α-helix	trans	-66.1	-44.8	177.8	-175.1	-80.6	-173.1	0	0	110.7	N171 F176 H177 Y251 Y253 A369 I372 P398 Y399	N171-M173 PolarHBondContact O-N 3.28Å; N171-M173 WeakPolarHBondContact OD1-CB 3.42Å; N171-M173 PolarHBondContact OD1-N 2.86Å; M173-F176 PolarHBondContact O-N 3.05Å; M173-H177 HydrophobicContact CE-CB 4.13Å; M173-H177 WeakPolarHBondContact O-CB 3.32Å; M173-H177 PolarHBondContact O-N 3.33Å; M173-H177 HydrophobicContact SD-CB 3.96Å; M173-Y251 HydrophobicContact CE-CD1 4.47Å; M173-Y253 HydrophobicContact CE-CE1 3.79Å; M173-Y253 VanDerWaalsContact CE-OH 3.25Å; M173-Y253 WeakPolarHBondContact CE-OH 3.38Å; M173-Y253 HydrophobicContact SD-CE1 3.76Å; M173-Y253 PolarHBondContact SD-OH 3.03Å; M173-A369 HydrophobicContact CB-CB 4.16Å; M173-I372 HydrophobicContact CB-CB 4.36Å; M173-I372 HydrophobicContact CG-CB 4.44Å; M173-I372 HydrophobicContact CG-CD1 4.4Å; M173-I372 HydrophobicContact CG-CG1 4.48Å; M173-P398 HydrophobicContact CE-CB 3.7Å; M173-Y399 HydrophobicContact CG-CE1 4.18Å
174	H	97.2	Very high	96.9	Very high	20 Å²	20	14.7 Å²	14.7	9%	0.093	8%	0.076	C	C	.	.	H	α-helix	trans	-67.1	-42.2	176.3	-68.8	-63.7	0	0	0	111.9	F167 N168 N171 F176 H177 D178 D179 Y253	F167-H174 HydrophobicContact CD1-CB 4.28Å; F167-H174 AromaticContact CD1-CE1 3.85Å; F167-H174 AromaticContact CD1-CG 3.9Å; F167-H174 AromaticContact CD1-ND1 3.44Å; F167-H174 WeakPolarHBondContact CD1-ND1 3.38Å; F167-H174 AromaticContact CE1-CE1 3.55Å; F167-H174 AromaticContact CE1-ND1 3.66Å; N168-H174 HydrophobicContact CB-CB 3.82Å; N168-H174 PolarHBondContact ND2-CD2 3.46Å; N171-H174 HydrophobicContact CB-CB 4.47Å; N171-H174 WeakPolarHBondContact O-CB 3.41Å; N171-H174 PolarHBondContact O-N 3.47Å; H174-F176 PolarHBondContact O-N 3.23Å; H174-H177 PolarHBondContact O-N 3.19Å; H174-D178 WeakPolarHBondContact CA-OD2 3.21Å; H174-D178 IonicContact CE1-OD2 3.75Å; H174-D178 IonicContact CG-OD2 3.38Å; H174-D178 IonicContact ND1-OD2 2.77Å; H174-D178 PolarHBondContact ND1-OD2 2.88Å; H174-D178 WeakPolarHBondContact O-CA 3.19Å; H174-D178 WeakPolarHBondContact O-CB 3.32Å; H174-D178 PolarHBondContact O-N 3.09Å; H174-D179 PolarHBondContact O-N 3.01Å; H174-Y253 AromaticContact CE1-CD1 3.58Å; H174-Y253 AromaticContact CE1-CD2 3.73Å; H174-Y253 AromaticContact CE1-CE1 3.24Å; H174-Y253 WeakPolarHBondContact CE1-CE1 3.45Å; H174-Y253 AromaticContact CE1-CE2 3.43Å; H174-Y253 VanDerWaalsContact CE1-CE2 3.43Å; H174-Y253 WeakPolarHBondContact CE1-CE2 3.46Å; H174-Y253 AromaticContact CE1-CG 3.8Å; H174-Y253 AromaticContact CE1-CZ 3.16Å; H174-Y253 AromaticContact ND1-CE1 3.78Å; H174-Y253 AromaticContact ND1-CE2 3.57Å; H174-Y253 AromaticContact ND1-CZ 3.27Å; H174-Y253 VanDerWaalsContact ND1-CZ 3.27Å; H174-Y253 PolarHBondContact ND1-OH 2.84Å
175	V	98.4	Very high	96.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-52.1	-46.3	174.9	172.5	0	0	0	0	110.9	P169 N171 D179 L180 H210 L213 Y214	P169-V175 WeakPolarHBondContact O-CG2 3.46Å; N171-V175 PolarHBondContact O-N 3.07Å; V175-D179 WeakPolarHBondContact O-CB 3.46Å; V175-L180 HydrophobicContact CG1-CD1 3.69Å; V175-L180 HydrophobicContact CG1-CG 4.05Å; V175-L180 WeakPolarHBondContact O-CB 3.43Å; V175-L180 VanDerWaalsContact O-CG 3.28Å; V175-L180 WeakPolarHBondContact O-CG 3.44Å; V175-L180 PolarHBondContact O-N 3.45Å; V175-H210 HydrophobicContact CG1-CB 4.31Å; V175-H210 HydrophobicContact CG2-CB 3.98Å; V175-L213 HydrophobicContact CG1-CD1 3.99Å; V175-Y214 HydrophobicContact CG1-CE2 4.13Å
176	F	98.5	Very high	96.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-78.9	-49.9	179.7	-87.9	-81.8	0	0	0	113.7	L172 M173 H174 L180 L181 L213 F275 L279 F350 I372 M375 F376	L172-F176 HydrophobicContact CD1-CD2 3.94Å; L172-F176 HydrophobicContact CD1-CE2 3.74Å; L172-F176 HydrophobicContact CG-CD2 4Å; L172-F176 HydrophobicContact CG-CE2 4.13Å; L172-F176 WeakPolarHBondContact O-CD2 3.45Å; L172-F176 PolarHBondContact O-N 3.35Å; L172-F176 VanDerWaalsContact O-N 3.11Å; M173-F176 PolarHBondContact O-N 3.05Å; H174-F176 PolarHBondContact O-N 3.23Å; F176-L180 HydrophobicContact CD1-CD1 4.19Å; F176-L180 HydrophobicContact CE1-CD1 4.11Å; F176-L180 HydrophobicContact CG-CD1 4.43Å; F176-L180 HydrophobicContact CZ-CD1 4.26Å; F176-L181 VanDerWaalsContact O-CB 3.25Å; F176-L181 WeakPolarHBondContact O-CB 3.36Å; F176-L181 WeakPolarHBondContact O-CD1 3.47Å; F176-L181 WeakPolarHBondContact O-CG 3.32Å; F176-L181 PolarHBondContact O-N 3.16Å; F176-L181 VanDerWaalsContact O-N 3.12Å; F176-L213 HydrophobicContact CE2-CD1 3.64Å; F176-L213 HydrophobicContact CZ-CD1 4.05Å; F176-F275 AromaticContact CD1-CE1 3.69Å; F176-F275 HydrophobicContact CD1-CE1 3.69Å; F176-F275 AromaticContact CD1-CZ 3.99Å; F176-F275 HydrophobicContact CD1-CZ 3.99Å; F176-F275 AromaticContact CE1-CE1 3.88Å; F176-F275 HydrophobicContact CE1-CE1 3.88Å; F176-F275 HydrophobicContact CE1-CZ 4.13Å; F176-L279 HydrophobicContact CE1-CD1 3.62Å; F176-L279 HydrophobicContact CZ-CD1 4.35Å; F176-F350 HydrophobicContact CE2-CE1 4.1Å; F176-F350 HydrophobicContact CE2-CE2 4.06Å; F176-F350 AromaticContact CE2-CZ 3.43Å; F176-F350 HydrophobicContact CE2-CZ 3.43Å; F176-F350 VanDerWaalsContact CE2-CZ 3.43Å; F176-F350 AromaticContact CZ-CE1 3.66Å; F176-F350 HydrophobicContact CZ-CE1 3.66Å; F176-F350 HydrophobicContact CZ-CE2 4.39Å; F176-F350 AromaticContact CZ-CZ 3.35Å; F176-F350 HydrophobicContact CZ-CZ 3.35Å; F176-I372 HydrophobicContact CB-CD1 4.42Å; F176-I372 HydrophobicContact CB-CG1 3.51Å; F176-I372 HydrophobicContact CB-CG2 4.35Å; F176-I372 HydrophobicContact CD2-CG2 3.95Å; F176-I372 HydrophobicContact CG-CG1 4.18Å; F176-I372 HydrophobicContact CG-CG2 4.34Å; F176-M375 HydrophobicContact CB-CE 4.2Å; F176-M375 HydrophobicContact CD1-CE 4.22Å; F176-M375 HydrophobicContact CD1-SD 3.83Å; F176-M375 HydrophobicContact CE1-SD 4.3Å; F176-M375 HydrophobicContact CG-CE 4.47Å; F176-F376 AromaticContact CE1-CE2 3.91Å; F176-F376 HydrophobicContact CE1-CE2 3.91Å; F176-F376 AromaticContact CE1-CZ 3.8Å; F176-F376 HydrophobicContact CE1-CZ 3.8Å; F176-F376 HydrophobicContact CZ-CE2 4.09Å; F176-F376 HydrophobicContact CZ-CZ 4.14Å
177	H	98.2	Very high	96.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.083	C	C	.	.	I	π-helix	trans	-72.9	-43.8	-172.6	175.8	-92.7	0	0	0	112.7	M173 H174 P182 W250 Y251 Y253	M173-H177 HydrophobicContact CE-CB 4.13Å; M173-H177 WeakPolarHBondContact O-CB 3.32Å; M173-H177 PolarHBondContact O-N 3.33Å; M173-H177 HydrophobicContact SD-CB 3.96Å; H174-H177 PolarHBondContact O-N 3.19Å; H177-P182 VanDerWaalsContact O-CD 3.28Å; H177-P182 WeakPolarHBondContact O-CD 3.44Å; H177-P182 WeakPolarHBondContact O-CG 3.31Å; H177-W250 HydrophobicContact CB-CH2 4.35Å; H177-W250 AromaticContact CD2-CD2 3.49Å; H177-W250 VanDerWaalsContact CD2-CD2 3.49Å; H177-W250 AromaticContact CD2-CE2 3.54Å; H177-W250 AromaticContact CD2-CE3 3.46Å; H177-W250 VanDerWaalsContact CD2-CE3 3.46Å; H177-W250 AromaticContact CD2-CH2 3.59Å; H177-W250 AromaticContact CD2-CZ2 3.62Å; H177-W250 AromaticContact CD2-CZ3 3.51Å; H177-W250 AromaticContact NE2-CD2 3.72Å; H177-W250 AromaticContact NE2-CE3 3.87Å; H177-W250 PolarHBondContact NE2-N 3.14Å; H177-Y251 PolarHBondContact CE1-O 2.64Å; H177-Y251 PolarHBondContact NE2-N 3.05Å; H177-Y251 VanDerWaalsContact NE2-N 3.16Å; H177-Y253 PolarHBondContact ND1-OH 3.05Å
178	D	97.1	Very high	96.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.011	10%	0.102	C	C	.	.	I	π-helix	trans	-101.2	-24.9	-170.7	-57.8	-56.2	0	0	0	113.7	S129 V130 F167 H174 P182 Y253	S129-D178 WeakPolarHBondContact CB-O 3.21Å; S129-D178 WeakPolarHBondContact OG-CA 3.18Å; S129-D178 PolarHBondContact OG-O 3.27Å; V130-D178 HydrophobicContact CG2-CB 4.12Å; F167-D178 HydrophobicContact CB-CB 3.93Å; F167-D178 HydrophobicContact CG-CB 4.48Å; H174-D178 WeakPolarHBondContact CA-OD2 3.21Å; H174-D178 IonicContact CE1-OD2 3.75Å; H174-D178 IonicContact CG-OD2 3.38Å; H174-D178 IonicContact ND1-OD2 2.77Å; H174-D178 PolarHBondContact ND1-OD2 2.88Å; H174-D178 WeakPolarHBondContact O-CA 3.19Å; H174-D178 WeakPolarHBondContact O-CB 3.32Å; H174-D178 PolarHBondContact O-N 3.09Å; D178-P182 WeakPolarHBondContact O-CG 3.3Å; D178-Y253 WeakPolarHBondContact OD2-CE2 3.49Å; D178-Y253 PolarHBondContact OD2-OH 3.19Å
179	D	98	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-109	-67.2	-176.6	-47.5	-29.9	0	0	0	112.3	R166 F167 H174 V175 A183 Y214	R166-D179 WeakPolarHBondContact CA-OD1 3.35Å; F167-D179 PolarHBondContact N-OD1 3.22Å; H174-D179 PolarHBondContact O-N 3.01Å; V175-D179 WeakPolarHBondContact O-CB 3.46Å; D179-A183 WeakPolarHBondContact O-CB 3.48Å; D179-A183 PolarHBondContact O-N 2.98Å; D179-Y214 HydrophobicContact CB-CE1 3.61Å; D179-Y214 PolarHBondContact OD2-OH 3.22Å
180	L	98.4	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-68.7	-45.1	-168.7	-63.8	173.5	0	0	0	113.6	V175 F176 A183 F184 L213 Y214 L217 F275	V175-L180 HydrophobicContact CG1-CD1 3.69Å; V175-L180 HydrophobicContact CG1-CG 4.05Å; V175-L180 WeakPolarHBondContact O-CB 3.43Å; V175-L180 VanDerWaalsContact O-CG 3.28Å; V175-L180 WeakPolarHBondContact O-CG 3.44Å; V175-L180 PolarHBondContact O-N 3.45Å; F176-L180 HydrophobicContact CD1-CD1 4.19Å; F176-L180 HydrophobicContact CE1-CD1 4.11Å; F176-L180 HydrophobicContact CG-CD1 4.43Å; F176-L180 HydrophobicContact CZ-CD1 4.26Å; L180-A183 PolarHBondContact O-N 3.31Å; L180-F184 VanDerWaalsContact O-CB 3.25Å; L180-F184 WeakPolarHBondContact O-CB 3.33Å; L180-F184 PolarHBondContact O-N 3.2Å; L180-L213 HydrophobicContact CD1-CB 3.7Å; L180-L213 HydrophobicContact CD1-CD1 4.35Å; L180-Y214 HydrophobicContact CD2-CD1 3.58Å; L180-Y214 HydrophobicContact CD2-CE1 4.02Å; L180-Y214 HydrophobicContact CD2-CG 3.96Å; L180-Y214 HydrophobicContact CG-CD1 4.48Å; L180-Y214 HydrophobicContact CG-CE1 4.46Å; L180-L217 HydrophobicContact CD2-CD1 3.76Å; L180-L217 HydrophobicContact CD2-CG 4.15Å; L180-F275 HydrophobicContact CB-CE2 4.1Å; L180-F275 HydrophobicContact CB-CZ 3.73Å
181	L	97.9	Very high	96.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-53.3	178.3	-90.2	164.1	0	0	0	111.5	F176 A183 F184 F185 W250 I272 F275 M375	F176-L181 VanDerWaalsContact O-CB 3.25Å; F176-L181 WeakPolarHBondContact O-CB 3.36Å; F176-L181 WeakPolarHBondContact O-CD1 3.47Å; F176-L181 WeakPolarHBondContact O-CG 3.32Å; F176-L181 PolarHBondContact O-N 3.16Å; F176-L181 VanDerWaalsContact O-N 3.12Å; L181-A183 PolarHBondContact O-N 2.89Å; L181-F184 PolarHBondContact O-N 3.07Å; L181-F185 HydrophobicContact CD2-CE2 4.27Å; L181-F185 PolarHBondContact O-N 3.08Å; L181-F185 VanDerWaalsContact O-N 3.14Å; L181-W250 HydrophobicContact CD1-CH2 4.05Å; L181-W250 HydrophobicContact CD1-CZ3 3.74Å; L181-I272 HydrophobicContact CD1-CD1 3.75Å; L181-I272 HydrophobicContact CD2-CD1 3.92Å; L181-F275 HydrophobicContact CD1-CD1 4.48Å; L181-F275 HydrophobicContact CD2-CB 3.49Å; L181-F275 VanDerWaalsContact CD2-CB 3.49Å; L181-F275 HydrophobicContact CD2-CD1 3.37Å; L181-F275 HydrophobicContact CD2-CD2 3.82Å; L181-F275 HydrophobicContact CD2-CE1 3.96Å; L181-F275 HydrophobicContact CD2-CE2 4.34Å; L181-F275 HydrophobicContact CD2-CG 3.26Å; L181-F275 HydrophobicContact CD2-CZ 4.38Å; L181-F275 HydrophobicContact CG-CD1 3.68Å; L181-F275 HydrophobicContact CG-CD2 4.25Å; L181-F275 HydrophobicContact CG-CE1 3.72Å; L181-F275 HydrophobicContact CG-CE2 4.27Å; L181-F275 HydrophobicContact CG-CG 3.94Å; L181-F275 HydrophobicContact CG-CZ 3.99Å; L181-M375 HydrophobicContact CD1-CE 4.02Å
182	P	97.6	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.1	-45.6	173	-32.7	41.1	0	0	0	113.5	H177 D178 F185 T186 L244 S245 T248 T249	H177-P182 VanDerWaalsContact O-CD 3.28Å; H177-P182 WeakPolarHBondContact O-CD 3.44Å; H177-P182 WeakPolarHBondContact O-CG 3.31Å; D178-P182 WeakPolarHBondContact O-CG 3.3Å; P182-F185 PolarHBondContact O-N 2.67Å; P182-T186 VanDerWaalsContact O-CB 3.27Å; P182-T186 WeakPolarHBondContact O-CB 3.46Å; P182-T186 PolarHBondContact O-N 2.98Å; P182-T186 PolarHBondContact O-OG1 3.02Å; P182-L244 HydrophobicContact CB-CB 4.24Å; P182-L244 HydrophobicContact CB-CD1 4.16Å; P182-S245 WeakPolarHBondContact CB-O 3.45Å; P182-T248 WeakPolarHBondContact CA-OG1 3.44Å; P182-T248 WeakPolarHBondContact CD-OG1 3.35Å; P182-T248 WeakPolarHBondContact CG-OG1 3.29Å; P182-T249 HydrophobicContact CG-CG2 4.3Å
183	A	98.1	Very high	95.7	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-49.1	178.7	0	0	0	0	0	111.8	L162 L164 D179 L180 L181 F185 T186 M187 L217 L244	L162-A183 HydrophobicContact CD2-CB 4.28Å; L164-A183 HydrophobicContact CD1-CB 4.41Å; D179-A183 WeakPolarHBondContact O-CB 3.48Å; D179-A183 PolarHBondContact O-N 2.98Å; L180-A183 PolarHBondContact O-N 3.31Å; L181-A183 PolarHBondContact O-N 2.89Å; A183-F185 PolarHBondContact O-N 2.97Å; A183-T186 WeakPolarHBondContact O-CB 3.25Å; A183-T186 PolarHBondContact O-N 2.85Å; A183-T186 VanDerWaalsContact O-N 3.16Å; A183-M187 VanDerWaalsContact O-CG 3.31Å; A183-M187 WeakPolarHBondContact O-CG 3.31Å; A183-M187 PolarHBondContact O-N 2.89Å; A183-L217 HydrophobicContact CB-CD1 3.82Å; A183-L244 HydrophobicContact CB-CD2 4.17Å
184	F	97.6	Very high	95.4	Very high	24 Å²	24	27.5 Å²	27.5	11%	0.105	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-45.3	179.4	175.7	-96.9	0	0	0	112.7	L180 L181 K188 L217 F275 A278	L180-F184 VanDerWaalsContact O-CB 3.25Å; L180-F184 WeakPolarHBondContact O-CB 3.33Å; L180-F184 PolarHBondContact O-N 3.2Å; L181-F184 PolarHBondContact O-N 3.07Å; F184-K188 HydrophobicContact CD1-CD 4.43Å; F184-K188 HydrophobicContact CE1-CD 3.88Å; F184-K188 HydrophobicContact CZ-CD 4.03Å; F184-K188 VanDerWaalsContact CZ-NZ 3.32Å; F184-K188 WeakPolarHBondContact O-CG 3.49Å; F184-K188 PolarHBondContact O-N 3.17Å; F184-K188 VanDerWaalsContact O-N 3.14Å; F184-L217 HydrophobicContact CB-CD2 4.14Å; F184-L217 HydrophobicContact CD2-CD2 4.16Å; F184-F275 HydrophobicContact CB-CD2 3.68Å; F184-F275 HydrophobicContact CB-CE2 3.86Å; F184-F275 HydrophobicContact CD1-CB 4.2Å; F184-F275 AromaticContact CD1-CD2 3.73Å; F184-F275 HydrophobicContact CD1-CD2 3.73Å; F184-F275 HydrophobicContact CD1-CG 4.46Å; F184-F275 HydrophobicContact CD2-CD2 4.14Å; F184-F275 HydrophobicContact CE1-CB 4.15Å; F184-F275 HydrophobicContact CE1-CD2 4.3Å; F184-F275 AromaticContact CG-CD2 3.61Å; F184-F275 HydrophobicContact CG-CD2 3.61Å; F184-F275 HydrophobicContact CG-CE2 4.21Å; F184-A278 HydrophobicContact CE2-CB 3.67Å; F184-A278 HydrophobicContact CZ-CB 3.62Å
185	F	95.3	Very high	95	Very high	27 Å²	27	30.1 Å²	30.1	12%	0.118	16%	0.157	C	C	.	.	H	α-helix	trans	-75.8	-27.7	178.9	-83.6	-85.1	0	0	0	113.1	L181 P182 A183 K188 Q189 M247 T248 E271 F275	L181-F185 HydrophobicContact CD2-CE2 4.27Å; L181-F185 PolarHBondContact O-N 3.08Å; L181-F185 VanDerWaalsContact O-N 3.14Å; P182-F185 PolarHBondContact O-N 2.67Å; A183-F185 PolarHBondContact O-N 2.97Å; F185-K188 PolarHBondContact O-N 2.83Å; F185-Q189 PolarHBondContact O-N 2.94Å; F185-M247 HydrophobicContact CD1-CE 4.18Å; F185-T248 HydrophobicContact CB-CG2 3.94Å; F185-T248 HydrophobicContact CD2-CG2 3.37Å; F185-T248 HydrophobicContact CE2-CG2 3.98Å; F185-T248 HydrophobicContact CG-CG2 3.71Å; F185-E271 HydrophobicContact CE1-CB 4.13Å; F185-E271 HydrophobicContact CE1-CG 3.91Å; F185-E271 HydrophobicContact CE2-CB 4.04Å; F185-E271 HydrophobicContact CZ-CB 3.49Å; F185-E271 VanDerWaalsContact CZ-CB 3.49Å; F185-E271 HydrophobicContact CZ-CG 3.81Å; F185-E271 WeakPolarHBondContact CZ-O 3.42Å; F185-F275 HydrophobicContact CE2-CB 4.15Å
186	T	95.9	Very high	94.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-45.6	170.9	-57.7	0	0	0	0	110.7	I86 L162 P182 A183 K188 Q189 Y190 L244 S245	I86-T186 HydrophobicContact CD1-CG2 4.09Å; L162-T186 HydrophobicContact CD1-CG2 3.99Å; P182-T186 VanDerWaalsContact O-CB 3.27Å; P182-T186 WeakPolarHBondContact O-CB 3.46Å; P182-T186 PolarHBondContact O-N 2.98Å; P182-T186 PolarHBondContact O-OG1 3.02Å; A183-T186 WeakPolarHBondContact O-CB 3.25Å; A183-T186 PolarHBondContact O-N 2.85Å; A183-T186 VanDerWaalsContact O-N 3.16Å; T186-K188 VanDerWaalsContact C-N 3.31Å; T186-K188 PolarHBondContact O-N 3.39Å; T186-Q189 VanDerWaalsContact O-CB 3.31Å; T186-Q189 WeakPolarHBondContact O-CB 3.45Å; T186-Q189 PolarHBondContact O-N 2.99Å; T186-Y190 HydrophobicContact CG2-CE2 4.38Å; T186-Y190 WeakPolarHBondContact O-CD2 3.49Å; T186-L244 HydrophobicContact CG2-CD2 4.45Å; T186-S245 WeakPolarHBondContact OG1-CB 3.41Å; T186-S245 PolarHBondContact OG1-N 3.47Å
187	M	96	Very high	94.6	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.064	18%	0.177	C	C	.	.	H	α-helix	trans	-58	-44.3	175.3	-70.2	175.2	72.5	0	0	111.1	L162 A183 Q189 Y190 L193 D194 A197 L199 L217	L162-M187 HydrophobicContact CD2-CG 3.89Å; L162-M187 HydrophobicContact CD2-SD 4.49Å; A183-M187 VanDerWaalsContact O-CG 3.31Å; A183-M187 WeakPolarHBondContact O-CG 3.31Å; A183-M187 PolarHBondContact O-N 2.89Å; M187-Q189 PolarHBondContact O-N 3.2Å; M187-Q189 VanDerWaalsContact O-N 3.15Å; M187-Y190 PolarHBondContact O-N 3.35Å; M187-L193 CarbonylContact C-O 3.55Å; M187-L193 HydrophobicContact CB-CB 4.17Å; M187-L193 WeakPolarHBondContact CB-O 3.18Å; M187-L193 HydrophobicContact CG-CB 4.29Å; M187-D194 WeakPolarHBondContact CE-O 3.47Å; M187-A197 HydrophobicContact CE-CB 4.32Å; M187-L199 HydrophobicContact SD-CD2 4.24Å; M187-L217 HydrophobicContact SD-CB 4.27Å
188	K	91.8	Very high	94.5	Very high	111 Å²	111	34.5 Å²	34.5	48%	0.483	18%	0.178	S	C	.	.	H	α-helix	trans	-66.1	-15.7	176.6	-72.1	-165.8	174.6	-161.8	0	115.4	F184 F185 T186 Y190 H274	F184-K188 HydrophobicContact CD1-CD 4.43Å; F184-K188 HydrophobicContact CE1-CD 3.88Å; F184-K188 HydrophobicContact CZ-CD 4.03Å; F184-K188 VanDerWaalsContact CZ-NZ 3.32Å; F184-K188 WeakPolarHBondContact O-CG 3.49Å; F184-K188 PolarHBondContact O-N 3.17Å; F184-K188 VanDerWaalsContact O-N 3.14Å; F185-K188 PolarHBondContact O-N 2.83Å; T186-K188 VanDerWaalsContact C-N 3.31Å; T186-K188 PolarHBondContact O-N 3.39Å; K188-Y190 VanDerWaalsContact C-N 3.33Å; K188-H274 PolarHBondContact NZ-CE1 3.17Å; K188-H274 PolarHBondContact NZ-NE2 3.17Å
189	Q	90.9	Very high	94.6	Very high	100 Å²	100	34.4 Å²	34.4	47%	0.467	18%	0.177	S	C	.	.	H	α-helix	trans	-76.4	-23.4	178.1	-174.9	176.2	-24.7	0	0	112.3	F185 T186 M187	F185-Q189 PolarHBondContact O-N 2.94Å; T186-Q189 VanDerWaalsContact O-CB 3.31Å; T186-Q189 WeakPolarHBondContact O-CB 3.45Å; T186-Q189 PolarHBondContact O-N 2.99Å; M187-Q189 PolarHBondContact O-N 3.2Å; M187-Q189 VanDerWaalsContact O-N 3.15Å
190	Y	92.5	Very high	94.6	Very high	36 Å²	36	34.4 Å²	34.4	14%	0.141	18%	0.177	C	C	.	.	S	Bend	trans	-124.9	124.3	-174.2	-56.2	-81.4	0	0	0	110.3	T78 I86 T186 M187 K188 D192 L193 Y241	T78-Y190 PolarHBondContact OG1-OH 3.3Å; I86-Y190 HydrophobicContact CD1-CE2 4.49Å; I86-Y190 HydrophobicContact CG2-CE2 4.15Å; T186-Y190 HydrophobicContact CG2-CE2 4.38Å; T186-Y190 WeakPolarHBondContact O-CD2 3.49Å; M187-Y190 PolarHBondContact O-N 3.35Å; K188-Y190 VanDerWaalsContact C-N 3.33Å; Y190-D192 PolarHBondContact O-N 2.92Å; Y190-L193 HydrophobicContact CD2-CD1 3.93Å; Y190-L193 HydrophobicContact CG-CD1 4.44Å; Y190-L193 PolarHBondContact O-N 3.47Å; Y190-L193 VanDerWaalsContact O-N 3.08Å; Y190-Y241 HydrophobicContact CD1-CD1 4.09Å; Y190-Y241 AromaticContact CD1-CE1 3.33Å; Y190-Y241 HydrophobicContact CD1-CE1 3.33Å; Y190-Y241 AromaticContact CD1-CZ 3.93Å; Y190-Y241 AromaticContact CD2-CD1 3.95Å; Y190-Y241 HydrophobicContact CD2-CD1 3.95Å; Y190-Y241 AromaticContact CD2-CE1 3.95Å; Y190-Y241 HydrophobicContact CD2-CE1 3.95Å; Y190-Y241 HydrophobicContact CE1-CD1 4.19Å; Y190-Y241 AromaticContact CE1-CE1 3.7Å; Y190-Y241 HydrophobicContact CE1-CE1 3.7Å; Y190-Y241 HydrophobicContact CE2-CD1 4.06Å; Y190-Y241 HydrophobicContact CE2-CE1 4.27Å; Y190-Y241 AromaticContact CG-CD1 3.96Å; Y190-Y241 HydrophobicContact CG-CD1 3.96Å; Y190-Y241 AromaticContact CG-CE1 3.46Å; Y190-Y241 HydrophobicContact CG-CE1 3.46Å; Y190-Y241 VanDerWaalsContact CG-CE1 3.46Å; Y190-Y241 AromaticContact CG-CZ 3.87Å
191	S	90	Very high	94.5	Very high	122 Å²	122	34.5 Å²	34.5	85%	0.853	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.3	-170.7	56.6	0	0	0	0	115.2
192	D	90.9	Very high	94.5	Very high	32 Å²	32	35.2 Å²	35.2	17%	0.171	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	1.3	-179.4	52.7	1.8	0	0	0	113.2	V160 Y190 K239 Y241	V160-D192 WeakPolarHBondContact CG1-O 3.3Å; Y190-D192 PolarHBondContact O-N 2.92Å; D192-K239 WeakPolarHBondContact OD2-CE 3.25Å; D192-K239 IonicContact OD2-NZ 3.95Å; D192-K239 PolarHBondContact OD2-NZ 3.26Å; D192-Y241 VanDerWaalsContact OD1-CE2 3.31Å; D192-Y241 WeakPolarHBondContact OD1-CE2 3.3Å; D192-Y241 VanDerWaalsContact OD1-CZ 3.26Å; D192-Y241 PolarHBondContact OD1-OH 2.79Å; D192-Y241 PolarHBondContact OD2-OH 3.46Å
193	L	92.2	Very high	94.3	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.189	C	C	.	.			trans	-96.2	66.7	163.2	-75.7	179.7	0	0	0	109.2	V160 L162 M187 Y190 A197 Y241	V160-L193 HydrophobicContact CG1-CD2 3.84Å; L162-L193 HydrophobicContact CB-CD2 4.13Å; L162-L193 HydrophobicContact CD1-CD1 4.18Å; M187-L193 CarbonylContact C-O 3.55Å; M187-L193 HydrophobicContact CB-CB 4.17Å; M187-L193 WeakPolarHBondContact CB-O 3.18Å; M187-L193 HydrophobicContact CG-CB 4.29Å; Y190-L193 HydrophobicContact CD2-CD1 3.93Å; Y190-L193 HydrophobicContact CG-CD1 4.44Å; Y190-L193 PolarHBondContact O-N 3.47Å; Y190-L193 VanDerWaalsContact O-N 3.08Å; L193-A197 HydrophobicContact CD2-CB 3.82Å; L193-Y241 HydrophobicContact CD1-CD1 4.27Å; L193-Y241 HydrophobicContact CD1-CD2 3.61Å; L193-Y241 HydrophobicContact CD1-CE2 4.18Å; L193-Y241 HydrophobicContact CD1-CG 3.63Å; L193-Y241 HydrophobicContact CD2-CD2 3.61Å; L193-Y241 HydrophobicContact CD2-CE2 4.19Å; L193-Y241 HydrophobicContact CD2-CG 4.34Å; L193-Y241 HydrophobicContact CG-CD2 3.45Å; L193-Y241 VanDerWaalsContact CG-CD2 3.45Å; L193-Y241 HydrophobicContact CG-CE2 3.73Å; L193-Y241 HydrophobicContact CG-CG 4.04Å
194	D	90.4	Very high	94.1	Very high	82 Å²	82	38 Å²	38	44%	0.439	20%	0.201	S	C	.	.	S	Bend	trans	-89.1	-166.8	176.1	60.6	23.7	0	0	0	111.7	M187 E196 A197	M187-D194 WeakPolarHBondContact CE-O 3.47Å; D194-E196 PolarHBondContact O-N 3.43Å; D194-E196 WeakPolarHBondContact OD1-CB 3.44Å; D194-E196 PolarHBondContact OD1-N 2.89Å; D194-A197 VanDerWaalsContact O-CB 3.29Å; D194-A197 WeakPolarHBondContact O-CB 3.29Å; D194-A197 PolarHBondContact O-N 3.48Å; D194-A197 VanDerWaalsContact O-N 3.12Å
195	D	89.8	Confident	93.9	Very high	76 Å²	76	41.7 Å²	41.7	41%	0.406	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0	-179.7	62.4	-21.7	0	0	0	114	S218 S219 K282	D195-S218 CarbonylContact O-C 3.54Å; D195-S218 VanDerWaalsContact O-CA 3.29Å; D195-S218 WeakPolarHBondContact O-CA 3.35Å; D195-S218 PolarHBondContact O-OG 3.13Å; D195-S219 PolarHBondContact O-N 3.34Å; D195-S219 PolarHBondContact O-OG 2.89Å; D195-K282 IonicContact OD2-NZ 2.89Å; D195-K282 PolarHBondContact OD2-NZ 3.04Å
196	E	92.3	Very high	93.8	Very high	88 Å²	88	42.8 Å²	42.8	41%	0.411	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	0.8	168.7	-64	-68.7	127.5	0	0	112.3	D194 S219 K220	D194-E196 PolarHBondContact O-N 3.43Å; D194-E196 WeakPolarHBondContact OD1-CB 3.44Å; D194-E196 PolarHBondContact OD1-N 2.89Å; E196-S219 VanDerWaalsContact OE1-CB 3.3Å; E196-S219 WeakPolarHBondContact OE1-CB 3.23Å; E196-S219 PolarHBondContact OE1-OG 3.36Å; E196-S219 PolarHBondContact OE2-OG 2.89Å; E196-K220 WeakPolarHBondContact O-CE 3.25Å; E196-K220 WeakPolarHBondContact O-CG 3.46Å; E196-K220 VanDerWaalsContact OE2-CE 3.29Å; E196-K220 WeakPolarHBondContact OE2-CE 3.49Å; E196-K220 IonicContact OE2-NZ 3.36Å; E196-K220 PolarHBondContact OE2-NZ 3.02Å
197	A	95.3	Very high	93.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-74	138.9	177.5	0	0	0	0	0	111.8	V160 M187 L193 D194 S218	V160-A197 CarbonylContact O-C 3.58Å; V160-A197 VanDerWaalsContact O-CA 3.23Å; V160-A197 WeakPolarHBondContact O-CA 3.33Å; V160-A197 WeakPolarHBondContact O-CB 3.45Å; M187-A197 HydrophobicContact CE-CB 4.32Å; L193-A197 HydrophobicContact CD2-CB 3.82Å; D194-A197 VanDerWaalsContact O-CB 3.29Å; D194-A197 WeakPolarHBondContact O-CB 3.29Å; D194-A197 PolarHBondContact O-N 3.48Å; D194-A197 VanDerWaalsContact O-N 3.12Å; A197-S218 WeakPolarHBondContact O-CB 3.45Å; A197-S218 PolarHBondContact O-OG 2.94Å
198	R	96.7	Very high	93.6	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.4	-178.1	-167.4	176.2	-60.1	-87.3	-0.3	111.9	E53 D159 V160 T161 L162 K220 Q221 L223	E53-R198 IonicContact OE1-CZ 2.7Å; E53-R198 IonicContact OE1-NH1 3.7Å; E53-R198 PolarHBondContact OE1-NH1 3.3Å; E53-R198 VanDerWaalsContact OE1-NH1 3.08Å; E53-R198 IonicContact OE1-NH2 2.63Å; E53-R198 PolarHBondContact OE1-NH2 3.26Å; E53-R198 IonicContact OE2-NH1 2.7Å; D159-R198 HydrophobicContact CB-CB 4.02Å; D159-R198 IonicContact OD2-CZ 3.81Å; D159-R198 IonicContact OD2-NE 2.78Å; D159-R198 PolarHBondContact OD2-NE 3.2Å; D159-R198 IonicContact OD2-NH2 3.36Å; D159-R198 PolarHBondContact OD2-NH2 2.94Å; V160-R198 PolarHBondContact O-N 2.87Å; T161-R198 CarbonylContact C-O 3.47Å; T161-R198 WeakPolarHBondContact CA-O 3.06Å; T161-R198 WeakPolarHBondContact CB-O 3.13Å; T161-R198 HydrophobicContact CG2-CB 4.2Å; L162-R198 PolarHBondContact N-O 3.04Å; R198-K220 HydrophobicContact CB-CB 4.08Å; R198-K220 HydrophobicContact CB-CG 4.43Å; R198-K220 HydrophobicContact CG-CB 4.12Å; R198-Q221 WeakPolarHBondContact CG-O 3.49Å; R198-Q221 PolarHBondContact NH1-O 2.66Å; R198-L223 HydrophobicContact CG-CG 4.34Å
199	L	98.3	Very high	93.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138.5	170.5	-57.7	-176.9	0	0	0	110.3	L162 L164 M187 F201 L217 P222 L223	L162-L199 HydrophobicContact CB-CD2 4.04Å; L162-L199 HydrophobicContact CD2-CD2 3.99Å; L162-L199 HydrophobicContact CG-CD2 4.45Å; L164-L199 HydrophobicContact CD2-CD2 4.37Å; M187-L199 HydrophobicContact SD-CD2 4.24Å; L199-F201 HydrophobicContact CB-CE1 4.46Å; L199-F201 HydrophobicContact CB-CE2 4.47Å; L199-F201 HydrophobicContact CB-CZ 4.07Å; L199-F201 HydrophobicContact CD1-CZ 4.04Å; L199-L217 HydrophobicContact CD1-CB 4.25Å; L199-L217 HydrophobicContact CD1-CD1 4.22Å; L199-P222 HydrophobicContact CB-CB 4.01Å; L199-P222 HydrophobicContact CB-CG 4.27Å; L199-P222 HydrophobicContact CD1-CG 4.47Å; L199-P222 CarbonylContact O-C 3.35Å; L199-P222 VanDerWaalsContact O-CA 3.25Å; L199-P222 WeakPolarHBondContact O-CA 3.31Å; L199-L223 PolarHBondContact O-N 3.23Å
200	V	98.1	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.2	177.5	-175.2	0	0	0	0	109.2	T161 L162 I163 L164 M202 L223 F237	T161-V200 HydrophobicContact CG2-CG2 4.08Å; L162-V200 PolarHBondContact O-N 2.8Å; I163-V200 WeakPolarHBondContact CA-O 3.38Å; I163-V200 HydrophobicContact CG1-CB 4.13Å; L164-V200 PolarHBondContact N-O 2.82Å; L164-V200 VanDerWaalsContact O-O 3.12Å; V200-M202 HydrophobicContact CG1-CG 4.43Å; V200-M202 HydrophobicContact CG1-SD 3.84Å; V200-L223 WeakPolarHBondContact CA-O 3.42Å; V200-L223 HydrophobicContact CG1-CB 4.36Å; V200-L223 HydrophobicContact CG2-CB 4.37Å; V200-L223 HydrophobicContact CG2-CD1 4.4Å; V200-F237 HydrophobicContact CG1-CE1 4.32Å; V200-F237 HydrophobicContact CG1-CZ 4.19Å; V200-F237 HydrophobicContact CG2-CE1 3.97Å
201	F	97.8	Very high	93.9	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.9	-175.1	-60.6	-52.7	0	0	0	111.1	L164 R166 L199 E203 F211 Y214 P222 L223 L224 K225	L164-F201 HydrophobicContact CD1-CD1 4.4Å; L164-F201 HydrophobicContact CD1-CE1 3.92Å; L164-F201 HydrophobicContact CD2-CD1 4.03Å; L164-F201 HydrophobicContact CD2-CE1 3.78Å; L164-F201 HydrophobicContact CG-CD1 3.9Å; L164-F201 HydrophobicContact CG-CE1 3.83Å; L164-F201 WeakPolarHBondContact O-CA 3.41Å; R166-F201 HydrophobicContact CG-CD1 3.69Å; R166-F201 HydrophobicContact CG-CE1 3.75Å; R166-F201 HydrophobicContact CG-CG 4.23Å; R166-F201 HydrophobicContact CG-CZ 4.33Å; L199-F201 HydrophobicContact CB-CE1 4.46Å; L199-F201 HydrophobicContact CB-CE2 4.47Å; L199-F201 HydrophobicContact CB-CZ 4.07Å; L199-F201 HydrophobicContact CD1-CZ 4.04Å; F201-E203 WeakPolarHBondContact CB-OE2 3.15Å; F201-F211 AromaticContact CD2-CE2 3.89Å; F201-F211 HydrophobicContact CD2-CE2 3.89Å; F201-F211 HydrophobicContact CD2-CZ 4.4Å; F201-F211 AromaticContact CE2-CE2 3.7Å; F201-F211 HydrophobicContact CE2-CE2 3.7Å; F201-F211 HydrophobicContact CE2-CZ 4.21Å; F201-Y214 HydrophobicContact CE1-CD1 4.07Å; F201-Y214 HydrophobicContact CE1-CE1 4.37Å; F201-Y214 HydrophobicContact CE2-CD1 4.38Å; F201-Y214 HydrophobicContact CE2-CG 4.31Å; F201-Y214 AromaticContact CZ-CD1 3.5Å; F201-Y214 HydrophobicContact CZ-CD1 3.5Å; F201-Y214 HydrophobicContact CZ-CE1 4.16Å; F201-Y214 AromaticContact CZ-CG 3.82Å; F201-Y214 HydrophobicContact CZ-CG 3.82Å; F201-P222 HydrophobicContact CD2-CB 4.05Å; F201-P222 HydrophobicContact CE2-CB 3.51Å; F201-P222 HydrophobicContact CE2-CG 4.2Å; F201-P222 HydrophobicContact CZ-CB 4.36Å; F201-L223 PolarHBondContact N-O 2.89Å; F201-L224 HydrophobicContact CB-CD2 4.1Å; F201-L224 HydrophobicContact CD2-CD2 3.87Å; F201-L224 HydrophobicContact CG-CD2 4.47Å; F201-K225 PolarHBondContact O-N 3.41Å
202	M	96.3	Very high	94.2	Very high	16 Å²	16	40.6 Å²	40.6	8%	0.079	23%	0.233	C	C	.	.			trans	-104.4	2.1	-170.4	-63.5	-58.4	-58.4	0	0	114.5	Y94 F101 I163 L164 N165 V200 G204 K225 L228	Y94-M202 HydrophobicContact CD1-CE 4.33Å; Y94-M202 HydrophobicContact CD2-CE 3.76Å; Y94-M202 HydrophobicContact CE1-CE 4.07Å; Y94-M202 HydrophobicContact CE2-CE 3.48Å; Y94-M202 VanDerWaalsContact CE2-CE 3.48Å; Y94-M202 HydrophobicContact CG-CE 4.19Å; F101-M202 HydrophobicContact CE2-CE 3.78Å; F101-M202 HydrophobicContact CE2-CG 4.17Å; F101-M202 HydrophobicContact CZ-CE 3.64Å; F101-M202 HydrophobicContact CZ-CG 3.87Å; F101-M202 HydrophobicContact CZ-SD 3.94Å; I163-M202 HydrophobicContact CG2-CG 3.54Å; L164-M202 PolarHBondContact O-N 3.42Å; L164-M202 VanDerWaalsContact O-N 3.16Å; N165-M202 VanDerWaalsContact OD1-C 3.26Å; N165-M202 WeakPolarHBondContact OD1-CA 3.11Å; N165-M202 WeakPolarHBondContact OD1-CB 3.06Å; V200-M202 HydrophobicContact CG1-CG 4.43Å; V200-M202 HydrophobicContact CG1-SD 3.84Å; M202-G204 VanDerWaalsContact C-N 3.33Å; M202-G204 PolarHBondContact O-N 2.96Å; M202-K225 HydrophobicContact CE-CB 4.48Å; M202-K225 HydrophobicContact CE-CD 4.46Å; M202-K225 HydrophobicContact CE-CG 4.09Å; M202-K225 WeakPolarHBondContact O-CD 3.27Å; M202-L228 HydrophobicContact CE-CD1 4.15Å; M202-L228 HydrophobicContact SD-CD1 3.88Å
203	E	94.3	Very high	94.5	Very high	34 Å²	34	39.5 Å²	39.5	16%	0.159	23%	0.228	C	C	.	.	S	Bend	trans	-76.3	-16.6	-177.7	71.3	-70.9	162.1	0	0	114.5	N165 R166 F201 W205	N165-E203 VanDerWaalsContact CA-OE2 3.31Å; N165-E203 WeakPolarHBondContact CA-OE2 3.46Å; N165-E203 HydrophobicContact CB-CB 4.07Å; N165-E203 PolarHBondContact OD1-N 2.92Å; N165-E203 VanDerWaalsContact OD1-N 3.14Å; R166-E203 IonicContact CZ-OE1 3.78Å; R166-E203 PolarHBondContact N-OE2 3.36Å; R166-E203 VanDerWaalsContact N-OE2 3.09Å; R166-E203 IonicContact NE-OE1 2.75Å; R166-E203 PolarHBondContact NE-OE1 3.39Å; R166-E203 IonicContact NH2-OE1 2.62Å; R166-E203 PolarHBondContact NH2-OE1 3.45Å; F201-E203 WeakPolarHBondContact CB-OE2 3.15Å; E203-W205 HydrophobicContact CB-CE3 4.49Å; E203-W205 HydrophobicContact CG-CB 4.06Å; E203-W205 HydrophobicContact CG-CD2 3.56Å; E203-W205 HydrophobicContact CG-CE3 3.4Å; E203-W205 VanDerWaalsContact CG-CE3 3.4Å; E203-W205 HydrophobicContact CG-CG 3.83Å; E203-W205 HydrophobicContact CG-CZ3 4.05Å
204	G	93.1	Very high	94.7	Very high	26 Å²	26	39.4 Å²	39.4	27%	0.268	23%	0.227	S	C	.	.			trans	87.3	10.4	178.1	0	0	0	0	0	115.2	M202	M202-G204 VanDerWaalsContact C-N 3.33Å; M202-G204 PolarHBondContact O-N 2.96Å
205	W	93.3	Very high	94.9	Very high	102 Å²	102	38.5 Å²	38.5	39%	0.386	22%	0.217	S	C	.	.			trans	-80.7	152.2	173	-63.9	-23.8	0	0	0	112.3	R166 F167 P169 E203	R166-W205 HydrophobicContact CB-CE3 4.23Å; R166-W205 HydrophobicContact CB-CZ3 4.28Å; R166-W205 PolarHBondContact NH2-O 3.49Å; R166-W205 VanDerWaalsContact NH2-O 3.11Å; R166-W205 WeakPolarHBondContact O-CZ3 3.28Å; F167-W205 VanDerWaalsContact C-CZ3 3.5Å; F167-W205 WeakPolarHBondContact O-CH2 3.47Å; F167-W205 WeakPolarHBondContact O-CZ3 3.13Å; P169-W205 HydrophobicContact CG-CD2 4.07Å; P169-W205 HydrophobicContact CG-CE3 3.35Å; P169-W205 HydrophobicContact CG-CZ3 3.88Å; E203-W205 HydrophobicContact CB-CE3 4.49Å; E203-W205 HydrophobicContact CG-CB 4.06Å; E203-W205 HydrophobicContact CG-CD2 3.56Å; E203-W205 HydrophobicContact CG-CE3 3.4Å; E203-W205 VanDerWaalsContact CG-CE3 3.4Å; E203-W205 HydrophobicContact CG-CG 3.83Å; E203-W205 HydrophobicContact CG-CZ3 4.05Å
206	G	94.3	Very high	95.2	Very high	50 Å²	50	36.6 Å²	36.6	52%	0.515	21%	0.207	S	C	.	.			trans	-68.3	-174.2	169.1	0	0	0	0	0	112.3	R166 G208	R166-G206 PolarHBondContact NH1-O 3.04Å; R166-G206 PolarHBondContact NH2-O 3.04Å; G206-G208 VanDerWaalsContact C-N 3.34Å; G206-G208 PolarHBondContact O-N 2.91Å
207	E	94.1	Very high	95.4	Very high	60 Å²	60	33 Å²	33	28%	0.28	19%	0.191	S	C	.	.			trans	-57.3	-47.3	-179.9	-68.6	-162.1	178.2	0	0	111.6	H46 R166 F211 R215 L224	H46-E207 IonicContact CE1-OE1 2.66Å; H46-E207 PolarHBondContact CE1-OE1 3.08Å; H46-E207 IonicContact ND1-OE1 3.72Å; R166-E207 PolarHBondContact NH1-O 3.47Å; E207-F211 HydrophobicContact CB-CB 3.72Å; E207-F211 HydrophobicContact CB-CD1 3.79Å; E207-F211 HydrophobicContact CB-CD2 3.95Å; E207-F211 HydrophobicContact CB-CE1 4.36Å; E207-F211 HydrophobicContact CB-CE2 4.49Å; E207-F211 HydrophobicContact CB-CG 3.54Å; E207-F211 VanDerWaalsContact CD-CD1 3.45Å; E207-F211 HydrophobicContact CG-CB 4.49Å; E207-F211 HydrophobicContact CG-CD1 3.59Å; E207-F211 HydrophobicContact CG-CD2 4.22Å; E207-F211 HydrophobicContact CG-CE1 3.71Å; E207-F211 HydrophobicContact CG-CE2 4.32Å; E207-F211 HydrophobicContact CG-CG 3.85Å; E207-F211 HydrophobicContact CG-CZ 4.06Å; E207-F211 VanDerWaalsContact O-CB 3.3Å; E207-F211 WeakPolarHBondContact O-CB 3.29Å; E207-F211 VanDerWaalsContact O-CD2 3.23Å; E207-F211 WeakPolarHBondContact O-CD2 3.47Å; E207-F211 WeakPolarHBondContact OE2-CD1 3.45Å; E207-R215 IonicContact OE1-NH2 3.7Å; E207-R215 PolarHBondContact OE1-NH2 3.42Å; E207-R215 VanDerWaalsContact OE1-NH2 3.15Å; E207-R215 IonicContact OE2-CZ 3.68Å; E207-R215 IonicContact OE2-NH1 3.44Å; E207-R215 IonicContact OE2-NH2 3.93Å; E207-R215 PolarHBondContact OE2-NH2 2.96Å; E207-L224 HydrophobicContact CG-CD1 3.9Å
208	G	92.5	Very high	95.3	Very high	39 Å²	39	33.4 Å²	33.4	40%	0.402	19%	0.193	S	C	.	.			trans	74	175.8	-177.8	0	0	0	0	0	112.8	G206 H210	G206-G208 VanDerWaalsContact C-N 3.34Å; G206-G208 PolarHBondContact O-N 2.91Å; G208-H210 VanDerWaalsContact C-N 3.26Å; G208-H210 PolarHBondContact O-N 2.76Å
209	P	91.8	Very high	95.1	Very high	87 Å²	87	36.3 Å²	36.3	57%	0.565	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.6	-168.8	29.2	-35.7	0	0	0	114.3	D170	D170-P209 HydrophobicContact CB-CG 4.5Å; D170-P209 WeakPolarHBondContact OD1-CD 3.29Å
210	H	95.5	Very high	94.9	Very high	37 Å²	37	38.3 Å²	38.3	17%	0.171	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	15.2	-173.5	-60.7	-37	0	0	0	113	P169 V175 G208 D212 L213	P169-H210 PolarHBondContact O-CD2 2.66Å; P169-H210 VanDerWaalsContact O-CD2 3.32Å; V175-H210 HydrophobicContact CG1-CB 4.31Å; V175-H210 HydrophobicContact CG2-CB 3.98Å; G208-H210 VanDerWaalsContact C-N 3.26Å; G208-H210 PolarHBondContact O-N 2.76Å; H210-D212 VanDerWaalsContact C-N 3.27Å; H210-D212 PolarHBondContact O-N 2.92Å; H210-L213 HydrophobicContact CB-CD1 4.19Å; H210-L213 WeakPolarHBondContact O-CB 3.4Å; H210-L213 PolarHBondContact O-N 3.42Å; H210-L213 VanDerWaalsContact O-N 3.1Å
211	F	95.9	Very high	94.5	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-35.5	-173.6	-159.9	-115.1	0	0	0	114	F201 E207 L213 Y214 P222 L224	F201-F211 AromaticContact CD2-CE2 3.89Å; F201-F211 HydrophobicContact CD2-CE2 3.89Å; F201-F211 HydrophobicContact CD2-CZ 4.4Å; F201-F211 AromaticContact CE2-CE2 3.7Å; F201-F211 HydrophobicContact CE2-CE2 3.7Å; F201-F211 HydrophobicContact CE2-CZ 4.21Å; E207-F211 HydrophobicContact CB-CB 3.72Å; E207-F211 HydrophobicContact CB-CD1 3.79Å; E207-F211 HydrophobicContact CB-CD2 3.95Å; E207-F211 HydrophobicContact CB-CE1 4.36Å; E207-F211 HydrophobicContact CB-CE2 4.49Å; E207-F211 HydrophobicContact CB-CG 3.54Å; E207-F211 VanDerWaalsContact CD-CD1 3.45Å; E207-F211 HydrophobicContact CG-CB 4.49Å; E207-F211 HydrophobicContact CG-CD1 3.59Å; E207-F211 HydrophobicContact CG-CD2 4.22Å; E207-F211 HydrophobicContact CG-CE1 3.71Å; E207-F211 HydrophobicContact CG-CE2 4.32Å; E207-F211 HydrophobicContact CG-CG 3.85Å; E207-F211 HydrophobicContact CG-CZ 4.06Å; E207-F211 VanDerWaalsContact O-CB 3.3Å; E207-F211 WeakPolarHBondContact O-CB 3.29Å; E207-F211 VanDerWaalsContact O-CD2 3.23Å; E207-F211 WeakPolarHBondContact O-CD2 3.47Å; E207-F211 WeakPolarHBondContact OE2-CD1 3.45Å; F211-L213 PolarHBondContact O-N 3.49Å; F211-L213 VanDerWaalsContact O-N 3.1Å; F211-Y214 HydrophobicContact CD2-CD2 4.3Å; F211-Y214 WeakPolarHBondContact O-CB 3.1Å; F211-Y214 WeakPolarHBondContact O-CD2 3.28Å; F211-Y214 PolarHBondContact O-N 3.39Å; F211-P222 HydrophobicContact CE1-CG 4.5Å; F211-P222 HydrophobicContact CZ-CB 3.86Å; F211-P222 HydrophobicContact CZ-CG 4.23Å; F211-L224 HydrophobicContact CE2-CD2 3.79Å; F211-L224 HydrophobicContact CZ-CD2 4.04Å; F211-L224 HydrophobicContact CZ-CG 4.35Å
212	D	94.8	Very high	94.5	Very high	106 Å²	106	40.7 Å²	40.7	57%	0.567	23%	0.234	S	C	*	.	H	α-helix	trans	-58.5	-25.5	178.7	-73.3	-31.7	0	0	0	113.3	H210 Y214 R215	H210-D212 VanDerWaalsContact C-N 3.27Å; H210-D212 PolarHBondContact O-N 2.92Å; D212-Y214 VanDerWaalsContact C-N 3.32Å; D212-Y214 PolarHBondContact O-N 2.95Å; D212-R215 WeakPolarHBondContact O-CB 3.15Å; D212-R215 PolarHBondContact O-N 3.45Å; D212-R215 IonicContact OD1-CZ 3.64Å; D212-R215 IonicContact OD1-NH1 2.75Å; D212-R215 PolarHBondContact OD1-NH1 2.97Å
213	L	96.9	Very high	94.4	Very high	10 Å²	10	40 Å²	40	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-69.1	-32.1	177.4	-58.3	179.1	0	0	0	112.3	L172 V175 F176 L180 H210 F211 R215 L216 F350	L172-L213 HydrophobicContact CD1-CD1 3.79Å; V175-L213 HydrophobicContact CG1-CD1 3.99Å; F176-L213 HydrophobicContact CE2-CD1 3.64Å; F176-L213 HydrophobicContact CZ-CD1 4.05Å; L180-L213 HydrophobicContact CD1-CB 3.7Å; L180-L213 HydrophobicContact CD1-CD1 4.35Å; H210-L213 HydrophobicContact CB-CD1 4.19Å; H210-L213 WeakPolarHBondContact O-CB 3.4Å; H210-L213 PolarHBondContact O-N 3.42Å; H210-L213 VanDerWaalsContact O-N 3.1Å; F211-L213 PolarHBondContact O-N 3.49Å; F211-L213 VanDerWaalsContact O-N 3.1Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-L216 HydrophobicContact CD2-CD1 4.15Å; L213-L216 WeakPolarHBondContact O-CB 3.38Å; L213-L216 PolarHBondContact O-N 3Å; L213-F350 HydrophobicContact CD2-CD1 3.39Å; L213-F350 HydrophobicContact CD2-CE1 3.69Å; L213-F350 HydrophobicContact CD2-CG 4.04Å
214	Y	97.3	Very high	94.5	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-71.3	-32.5	175.6	-58.1	-91.4	0	0	0	111.3	R166 V175 D179 L180 F201 F211 D212 L216 L217	R166-Y214 VanDerWaalsContact CD-CZ 3.42Å; R166-Y214 WeakPolarHBondContact CD-OH 3.44Å; R166-Y214 HydrophobicContact CG-CE1 3.74Å; V175-Y214 HydrophobicContact CG1-CE2 4.13Å; D179-Y214 HydrophobicContact CB-CE1 3.61Å; D179-Y214 PolarHBondContact OD2-OH 3.22Å; L180-Y214 HydrophobicContact CD2-CD1 3.58Å; L180-Y214 HydrophobicContact CD2-CE1 4.02Å; L180-Y214 HydrophobicContact CD2-CG 3.96Å; L180-Y214 HydrophobicContact CG-CD1 4.48Å; L180-Y214 HydrophobicContact CG-CE1 4.46Å; F201-Y214 HydrophobicContact CE1-CD1 4.07Å; F201-Y214 HydrophobicContact CE1-CE1 4.37Å; F201-Y214 HydrophobicContact CE2-CD1 4.38Å; F201-Y214 HydrophobicContact CE2-CG 4.31Å; F201-Y214 AromaticContact CZ-CD1 3.5Å; F201-Y214 HydrophobicContact CZ-CD1 3.5Å; F201-Y214 HydrophobicContact CZ-CE1 4.16Å; F201-Y214 AromaticContact CZ-CG 3.82Å; F201-Y214 HydrophobicContact CZ-CG 3.82Å; F211-Y214 HydrophobicContact CD2-CD2 4.3Å; F211-Y214 WeakPolarHBondContact O-CB 3.1Å; F211-Y214 WeakPolarHBondContact O-CD2 3.28Å; F211-Y214 PolarHBondContact O-N 3.39Å; D212-Y214 VanDerWaalsContact C-N 3.32Å; D212-Y214 PolarHBondContact O-N 2.95Å; Y214-L216 PolarHBondContact O-N 3.09Å; Y214-L217 PolarHBondContact O-N 2.9Å; Y214-L217 VanDerWaalsContact O-N 3.14Å
215	R	95.7	Very high	94.6	Very high	62 Å²	62	39.2 Å²	39.2	23%	0.234	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14.4	173.3	-62.9	178.3	170.6	130.4	3.9	112.7	H46 E207 D212 L213 L217 P222	H46-R215 PolarHBondContact NE2-NH2 3.41Å; E207-R215 IonicContact OE1-NH2 3.7Å; E207-R215 PolarHBondContact OE1-NH2 3.42Å; E207-R215 VanDerWaalsContact OE1-NH2 3.15Å; E207-R215 IonicContact OE2-CZ 3.68Å; E207-R215 IonicContact OE2-NH1 3.44Å; E207-R215 IonicContact OE2-NH2 3.93Å; E207-R215 PolarHBondContact OE2-NH2 2.96Å; D212-R215 WeakPolarHBondContact O-CB 3.15Å; D212-R215 PolarHBondContact O-N 3.45Å; D212-R215 IonicContact OD1-CZ 3.64Å; D212-R215 IonicContact OD1-NH1 2.75Å; D212-R215 PolarHBondContact OD1-NH1 2.97Å; L213-R215 VanDerWaalsContact C-N 3.33Å; R215-L217 VanDerWaalsContact C-N 3.34Å; R215-P222 HydrophobicContact CG-CG 4.43Å
216	L	95.5	Very high	94.5	Very high	37 Å²	37	38.3 Å²	38.3	19%	0.194	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.3	175.1	-60.7	174.8	0	0	0	113.3	L213 Y214 L279 K282 M283	L213-L216 HydrophobicContact CD2-CD1 4.15Å; L213-L216 WeakPolarHBondContact O-CB 3.38Å; L213-L216 PolarHBondContact O-N 3Å; Y214-L216 PolarHBondContact O-N 3.09Å; L216-L279 HydrophobicContact CB-CD2 3.7Å; L216-L279 HydrophobicContact CD1-CD2 3.89Å; L216-L279 HydrophobicContact CG-CD2 4.46Å; L216-K282 HydrophobicContact CB-CB 4.35Å; L216-K282 HydrophobicContact CD2-CB 4.2Å; L216-M283 HydrophobicContact CD1-CG 3.78Å; L216-M283 HydrophobicContact CD1-SD 4.16Å; L216-M283 HydrophobicContact CD2-CG 4.26Å
217	L	95.6	Very high	94.3	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.068	20%	0.2	C	C	.	.	S	Bend	trans	-81	-21.9	-177.9	-62.7	-175.9	0	0	0	113.1	L180 A183 F184 M187 L199 Y214 R215 L279	L180-L217 HydrophobicContact CD2-CD1 3.76Å; L180-L217 HydrophobicContact CD2-CG 4.15Å; A183-L217 HydrophobicContact CB-CD1 3.82Å; F184-L217 HydrophobicContact CB-CD2 4.14Å; F184-L217 HydrophobicContact CD2-CD2 4.16Å; M187-L217 HydrophobicContact SD-CB 4.27Å; L199-L217 HydrophobicContact CD1-CB 4.25Å; L199-L217 HydrophobicContact CD1-CD1 4.22Å; Y214-L217 PolarHBondContact O-N 2.9Å; Y214-L217 VanDerWaalsContact O-N 3.14Å; R215-L217 VanDerWaalsContact C-N 3.34Å; L217-L279 HydrophobicContact CD2-CD2 4.45Å
218	S	94.6	Very high	94.1	Very high	8 Å²	8	34 Å²	34	6%	0.056	19%	0.186	C	C	.	.			trans	-148.2	148.8	-175	176	0	0	0	0	111.7	D195 A197 K220	D195-S218 CarbonylContact O-C 3.54Å; D195-S218 VanDerWaalsContact O-CA 3.29Å; D195-S218 WeakPolarHBondContact O-CA 3.35Å; D195-S218 PolarHBondContact O-OG 3.13Å; A197-S218 WeakPolarHBondContact O-CB 3.45Å; A197-S218 PolarHBondContact O-OG 2.94Å; S218-K220 PolarHBondContact OG-N 3.3Å
219	S	91.7	Very high	93.8	Very high	64 Å²	64	36.8 Å²	36.8	45%	0.448	19%	0.185	S	C	.	.	S	Bend	trans	-72.8	-17.5	169.5	69.6	0	0	0	0	112.8	D195 E196	D195-S219 PolarHBondContact O-N 3.34Å; D195-S219 PolarHBondContact O-OG 2.89Å; E196-S219 VanDerWaalsContact OE1-CB 3.3Å; E196-S219 WeakPolarHBondContact OE1-CB 3.23Å; E196-S219 PolarHBondContact OE1-OG 3.36Å; E196-S219 PolarHBondContact OE2-OG 2.89Å
220	K	93.2	Very high	93.6	Very high	44 Å²	44	38 Å²	38	19%	0.191	19%	0.186	C	C	.	.	S	Bend	trans	-85.1	140.6	176.4	-57.8	-55.9	-179.1	-149.5	0	110.9	E53 E196 R198 S218 P222	E53-K220 VanDerWaalsContact OE1-CD 3.31Å; E53-K220 WeakPolarHBondContact OE1-CD 3.46Å; E196-K220 WeakPolarHBondContact O-CE 3.25Å; E196-K220 WeakPolarHBondContact O-CG 3.46Å; E196-K220 VanDerWaalsContact OE2-CE 3.29Å; E196-K220 WeakPolarHBondContact OE2-CE 3.49Å; E196-K220 IonicContact OE2-NZ 3.36Å; E196-K220 PolarHBondContact OE2-NZ 3.02Å; R198-K220 HydrophobicContact CB-CB 4.08Å; R198-K220 HydrophobicContact CB-CG 4.43Å; R198-K220 HydrophobicContact CG-CB 4.12Å; S218-K220 PolarHBondContact OG-N 3.3Å; K220-P222 WeakPolarHBondContact O-CD 3.18Å
221	Q	91.3	Very high	93.2	Very high	50 Å²	50	37.9 Å²	37.9	23%	0.234	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-63.5	128	171.4	-73.2	-61.9	-31.9	0	0	111.2	Q50 R198	Q50-Q221 HydrophobicContact CG-CB 4.23Å; R198-Q221 WeakPolarHBondContact CG-O 3.49Å; R198-Q221 PolarHBondContact NH1-O 2.66Å
222	P	96	Very high	92.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-59.8	146.6	172.2	-23.1	33.8	0	0	0	112.1	L199 F201 F211 R215 K220	L199-P222 HydrophobicContact CB-CB 4.01Å; L199-P222 HydrophobicContact CB-CG 4.27Å; L199-P222 HydrophobicContact CD1-CG 4.47Å; L199-P222 CarbonylContact O-C 3.35Å; L199-P222 VanDerWaalsContact O-CA 3.25Å; L199-P222 WeakPolarHBondContact O-CA 3.31Å; F201-P222 HydrophobicContact CD2-CB 4.05Å; F201-P222 HydrophobicContact CE2-CB 3.51Å; F201-P222 HydrophobicContact CE2-CG 4.2Å; F201-P222 HydrophobicContact CZ-CB 4.36Å; F211-P222 HydrophobicContact CE1-CG 4.5Å; F211-P222 HydrophobicContact CZ-CB 3.86Å; F211-P222 HydrophobicContact CZ-CG 4.23Å; R215-P222 HydrophobicContact CG-CG 4.43Å; K220-P222 WeakPolarHBondContact O-CD 3.18Å
223	L	95.4	Very high	92.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.3	174.1	-60.7	174.9	0	0	0	110.8	R198 L199 V200 F201 L228 F231	R198-L223 HydrophobicContact CG-CG 4.34Å; L199-L223 PolarHBondContact O-N 3.23Å; V200-L223 WeakPolarHBondContact CA-O 3.42Å; V200-L223 HydrophobicContact CG1-CB 4.36Å; V200-L223 HydrophobicContact CG2-CB 4.37Å; V200-L223 HydrophobicContact CG2-CD1 4.4Å; F201-L223 PolarHBondContact N-O 2.89Å; L223-L228 HydrophobicContact CB-CD2 4.21Å; L223-L228 HydrophobicContact CD1-CD2 4.13Å; L223-F231 HydrophobicContact CD2-CE2 4.02Å; L223-F231 HydrophobicContact CD2-CZ 4.32Å
224	L	96.1	Very high	92.7	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	146	171	-58.3	175.2	0	0	0	110.6	F201 E207 F211 E226 Q227 L228	F201-L224 HydrophobicContact CB-CD2 4.1Å; F201-L224 HydrophobicContact CD2-CD2 3.87Å; F201-L224 HydrophobicContact CG-CD2 4.47Å; E207-L224 HydrophobicContact CG-CD1 3.9Å; F211-L224 HydrophobicContact CE2-CD2 3.79Å; F211-L224 HydrophobicContact CZ-CD2 4.04Å; F211-L224 HydrophobicContact CZ-CG 4.35Å; L224-E226 VanDerWaalsContact C-N 3.25Å; L224-E226 PolarHBondContact O-N 3.23Å; L224-Q227 HydrophobicContact CB-CG 4.1Å; L224-Q227 WeakPolarHBondContact O-CB 3.44Å; L224-Q227 PolarHBondContact O-N 3.1Å; L224-L228 PolarHBondContact O-N 3.24Å
225	K	95.2	Very high	92.6	Very high	33 Å²	33	38.1 Å²	38.1	14%	0.143	19%	0.186	C	C	.	.	H	α-helix	trans	-45.7	-47.9	175.4	-179.2	-179.7	166.7	-174.2	0	113	Y94 E99 F201 M202 Q227 L228	Y94-K225 WeakPolarHBondContact OH-CE 3.47Å; E99-K225 WeakPolarHBondContact OE2-CE 3.49Å; E99-K225 IonicContact OE2-NZ 2.96Å; E99-K225 PolarHBondContact OE2-NZ 3.05Å; F201-K225 PolarHBondContact O-N 3.41Å; M202-K225 HydrophobicContact CE-CB 4.48Å; M202-K225 HydrophobicContact CE-CD 4.46Å; M202-K225 HydrophobicContact CE-CG 4.09Å; M202-K225 WeakPolarHBondContact O-CD 3.27Å; K225-Q227 VanDerWaalsContact C-N 3.26Å; K225-Q227 PolarHBondContact O-N 3.36Å; K225-L228 WeakPolarHBondContact O-CB 3.22Å; K225-L228 PolarHBondContact O-N 3.23Å; K225-L228 VanDerWaalsContact O-N 3.14Å
226	E	90.1	Very high	92.6	Very high	83 Å²	83	35.2 Å²	35.2	39%	0.388	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-30.5	-177.9	-66.7	-53.3	128.6	0	0	112.7	L224 L228 R229	L224-E226 VanDerWaalsContact C-N 3.25Å; L224-E226 PolarHBondContact O-N 3.23Å; E226-L228 VanDerWaalsContact C-N 3.3Å; E226-L228 PolarHBondContact O-N 3.15Å; E226-R229 IonicContact OE2-CZ 3.46Å; E226-R229 IonicContact OE2-NH1 2.84Å; E226-R229 PolarHBondContact OE2-NH1 2.98Å; E226-R229 VanDerWaalsContact OE2-NH1 3.12Å
227	Q	90.1	Very high	92.7	Very high	20 Å²	20	33.4 Å²	33.4	9%	0.093	17%	0.166	C	C	.	.	H	α-helix	trans	-71.5	-25.4	177.3	-65.6	169.6	-28.7	0	0	112.2	M47 L224 K225 R229 N230 F231	M47-Q227 HydrophobicContact SD-CG 4.04Å; L224-Q227 HydrophobicContact CB-CG 4.1Å; L224-Q227 WeakPolarHBondContact O-CB 3.44Å; L224-Q227 PolarHBondContact O-N 3.1Å; K225-Q227 VanDerWaalsContact C-N 3.26Å; K225-Q227 PolarHBondContact O-N 3.36Å; Q227-R229 PolarHBondContact O-N 3.28Å; Q227-N230 WeakPolarHBondContact O-CB 3.46Å; Q227-N230 PolarHBondContact O-N 3.39Å; Q227-F231 HydrophobicContact CB-CE2 4.27Å; Q227-F231 VanDerWaalsContact O-CD2 3.29Å; Q227-F231 WeakPolarHBondContact O-CD2 3.24Å; Q227-F231 WeakPolarHBondContact O-CE2 3.45Å
228	L	90.4	Very high	92.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-34	-178.7	-60.3	-175.6	0	0	0	112.5	Y94 M202 L223 L224 K225 E226 N230 F231 G232 M235 F237	Y94-L228 HydrophobicContact CD1-CB 4.49Å; Y94-L228 HydrophobicContact CD1-CD1 3.75Å; Y94-L228 HydrophobicContact CE1-CD1 4.03Å; Y94-L228 HydrophobicContact CG-CD1 4.48Å; M202-L228 HydrophobicContact CE-CD1 4.15Å; M202-L228 HydrophobicContact SD-CD1 3.88Å; L223-L228 HydrophobicContact CB-CD2 4.21Å; L223-L228 HydrophobicContact CD1-CD2 4.13Å; L224-L228 PolarHBondContact O-N 3.24Å; K225-L228 WeakPolarHBondContact O-CB 3.22Å; K225-L228 PolarHBondContact O-N 3.23Å; K225-L228 VanDerWaalsContact O-N 3.14Å; E226-L228 VanDerWaalsContact C-N 3.3Å; E226-L228 PolarHBondContact O-N 3.15Å; L228-N230 PolarHBondContact O-N 2.74Å; L228-F231 PolarHBondContact O-N 3.11Å; L228-G232 PolarHBondContact O-N 2.78Å; L228-M235 HydrophobicContact CB-CG 4.25Å; L228-F237 HydrophobicContact CD1-CZ 4.4Å
229	R	87.4	Confident	92.8	Very high	97 Å²	97	36.2 Å²	36.2	37%	0.366	18%	0.178	S	C	.	.	H	α-helix	trans	-60.6	-29.8	177.2	-69.9	169.8	173.3	-176.6	-9.6	113	E99 E226 Q227	E99-R229 VanDerWaalsContact CD-NH2 3.28Å; E99-R229 IonicContact OE1-CZ 3.34Å; E99-R229 IonicContact OE1-NH2 2.82Å; E99-R229 PolarHBondContact OE1-NH2 3.38Å; E226-R229 IonicContact OE2-CZ 3.46Å; E226-R229 IonicContact OE2-NH1 2.84Å; E226-R229 PolarHBondContact OE2-NH1 2.98Å; E226-R229 VanDerWaalsContact OE2-NH1 3.12Å; Q227-R229 PolarHBondContact O-N 3.28Å
230	N	87.4	Confident	93.1	Very high	112 Å²	112	33.2 Å²	33.2	60%	0.599	16%	0.157	S	C	*	.	H	α-helix	trans	-78.1	-23.6	-176.6	-61	-22.4	0	0	0	112.1	M47 Q227 L228	M47-N230 HydrophobicContact CE-CB 3.69Å; M47-N230 WeakPolarHBondContact CE-ND2 3.32Å; Q227-N230 WeakPolarHBondContact O-CB 3.46Å; Q227-N230 PolarHBondContact O-N 3.39Å; L228-N230 PolarHBondContact O-N 2.74Å
231	F	86.4	Confident	93.3	Very high	34 Å²	34	31.3 Å²	31.3	15%	0.149	15%	0.149	C	C	.	.	H	α-helix	trans	-85.7	-37.4	179.2	-60.7	-63.3	0	0	0	112.5	M47 Q50 L54 L223 Q227 L228 M235	M47-F231 HydrophobicContact CE-CZ 4.36Å; Q50-F231 HydrophobicContact CB-CZ 4.41Å; L54-F231 HydrophobicContact CD2-CD1 4.43Å; L223-F231 HydrophobicContact CD2-CE2 4.02Å; L223-F231 HydrophobicContact CD2-CZ 4.32Å; Q227-F231 HydrophobicContact CB-CE2 4.27Å; Q227-F231 VanDerWaalsContact O-CD2 3.29Å; Q227-F231 WeakPolarHBondContact O-CD2 3.24Å; Q227-F231 WeakPolarHBondContact O-CE2 3.45Å; L228-F231 PolarHBondContact O-N 3.11Å; F231-M235 HydrophobicContact CB-CE 3.72Å; F231-M235 HydrophobicContact CB-SD 3.57Å; F231-M235 VanDerWaalsContact CB-SD 3.57Å; F231-M235 HydrophobicContact CD2-CE 4.24Å; F231-M235 HydrophobicContact CG-CE 4.26Å
232	G	87.4	Confident	93.7	Very high	17 Å²	17	29 Å²	29	18%	0.175	14%	0.138	C	C	.	.			trans	172.7	165.3	178.1	0	0	0	0	0	112.9	L228 L234	L228-G232 PolarHBondContact O-N 2.78Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-L234 PolarHBondContact O-N 3.08Å
233	K	93.4	Very high	93.6	Very high	113 Å²	113	28.9 Å²	28.9	49%	0.491	14%	0.137	S	C	.	.	S	Bend	trans	-73.3	-23.7	-179.2	-68.9	-171.7	165.5	-147.2	0	114.3	S96 E97 P152	S96-K233 PolarHBondContact N-O 3.24Å; S96-K233 WeakPolarHBondContact OG-CA 3.26Å; S96-K233 PolarHBondContact OG-O 3.01Å; E97-K233 IonicContact OE2-NZ 2.75Å; E97-K233 PolarHBondContact OE2-NZ 3.1Å; P152-K233 HydrophobicContact CB-CB 3.66Å; P152-K233 HydrophobicContact CB-CD 4.26Å; P152-K233 HydrophobicContact CG-CB 3.7Å; P152-K233 HydrophobicContact CG-CD 3.89Å; P152-K233 HydrophobicContact CG-CG 4.46Å
234	L	95.5	Very high	93.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	101	-180	-177.8	64.6	0	0	0	108.3	C93 Y94 L148 M151 P152 P154 V155 G232	C93-L234 HydrophobicContact CB-CD1 3.89Å; Y94-L234 WeakPolarHBondContact O-CA 3.17Å; L148-L234 HydrophobicContact CD2-CD2 4.19Å; M151-L234 HydrophobicContact CB-CD2 4.16Å; M151-L234 HydrophobicContact SD-CD2 4.47Å; P152-L234 HydrophobicContact CB-CB 4.46Å; P154-L234 CarbonylContact C-O 3.53Å; P154-L234 WeakPolarHBondContact CA-O 3.33Å; P154-L234 HydrophobicContact CB-CD2 4.36Å; P154-L234 HydrophobicContact CG-CD2 3.93Å; V155-L234 PolarHBondContact N-O 2.9Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-L234 PolarHBondContact O-N 3.08Å
235	M	96	Very high	93.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	135.6	176.6	-63.9	-61	-67.5	0	0	109	C93 Y94 V155 V157 L228 F231	C93-M235 CarbonylContact C-O 3.55Å; C93-M235 WeakPolarHBondContact CA-O 3.36Å; C93-M235 WeakPolarHBondContact CB-O 3.37Å; Y94-M235 PolarHBondContact N-O 3.02Å; Y94-M235 PolarHBondContact O-N 3.25Å; V155-M235 HydrophobicContact CB-CE 4.36Å; V155-M235 HydrophobicContact CB-SD 3.66Å; V155-M235 HydrophobicContact CG1-CE 3.95Å; V155-M235 HydrophobicContact CG1-SD 3.82Å; V155-M235 HydrophobicContact CG2-SD 4.49Å; V155-M235 CarbonylContact O-C 3.56Å; V155-M235 WeakPolarHBondContact O-CA 3.46Å; V157-M235 HydrophobicContact CG2-CE 3.64Å; L228-M235 HydrophobicContact CB-CG 4.25Å; F231-M235 HydrophobicContact CB-CE 3.72Å; F231-M235 HydrophobicContact CB-SD 3.57Å; F231-M235 VanDerWaalsContact CB-SD 3.57Å; F231-M235 HydrophobicContact CD2-CE 4.24Å; F231-M235 HydrophobicContact CG-CE 4.26Å
236	C	96.7	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	113.4	178.5	-67.3	0	0	0	0	110.6	L92 C93 V155 F156 V157 T238	L92-C236 CarbonylContact O-C 3.56Å; L92-C236 WeakPolarHBondContact O-CA 3.39Å; C93-C236 HydrophobicContact CB-CB 4.16Å; C93-C236 WeakPolarHBondContact CB-SG 3.34Å; C93-C236 WeakPolarHBondContact SG-CB 3.35Å; C93-C236 CovalentContact SG-SG 2.05Å; C93-C236 PolarHBondContact SG-SG 2.94Å; V155-C236 PolarHBondContact O-N 2.94Å; F156-C236 CarbonylContact C-O 3.53Å; F156-C236 VanDerWaalsContact CA-O 3.26Å; F156-C236 WeakPolarHBondContact CA-O 3.46Å; F156-C236 HydrophobicContact CD1-CB 3.62Å; F156-C236 HydrophobicContact CE1-CB 3.69Å; V157-C236 PolarHBondContact N-O 2.87Å; C236-T238 PolarHBondContact O-N 2.99Å
237	F	96.9	Very high	93.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.1	177.2	-56	-83.3	0	0	0	108.4	Y91 L92 F101 V157 T161 I163 V200 L228 K239	Y91-F237 CarbonylContact C-O 3.48Å; Y91-F237 WeakPolarHBondContact CA-O 3.25Å; Y91-F237 PolarHBondContact N-O 3.21Å; Y91-F237 VanDerWaalsContact N-O 3.14Å; L92-F237 PolarHBondContact N-O 2.54Å; L92-F237 WeakPolarHBondContact O-CD2 3.38Å; L92-F237 PolarHBondContact O-N 2.72Å; F101-F237 HydrophobicContact CE1-CE2 4.11Å; V157-F237 HydrophobicContact CB-CD1 3.76Å; V157-F237 HydrophobicContact CB-CE1 4.24Å; V157-F237 HydrophobicContact CG1-CD1 4.05Å; V157-F237 HydrophobicContact CG1-CE1 4.41Å; V157-F237 HydrophobicContact CG2-CD1 3.83Å; V157-F237 HydrophobicContact CG2-CE1 3.83Å; T161-F237 HydrophobicContact CG2-CD1 3.76Å; T161-F237 HydrophobicContact CG2-CE1 4.36Å; I163-F237 HydrophobicContact CD1-CD2 4.05Å; I163-F237 HydrophobicContact CD1-CE2 4.18Å; I163-F237 HydrophobicContact CD1-CG 4.28Å; V200-F237 HydrophobicContact CG1-CE1 4.32Å; V200-F237 HydrophobicContact CG1-CZ 4.19Å; V200-F237 HydrophobicContact CG2-CE1 3.97Å; L228-F237 HydrophobicContact CD1-CZ 4.4Å; F237-K239 PolarHBondContact O-N 3.17Å
238	T	95.3	Very high	93.3	Very high	23 Å²	23	27.8 Å²	27.8	14%	0.141	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	-36.2	-178.5	54.6	0	0	0	0	111.6	I59 D90 Y91 F156 V157 P158 C236	I59-T238 HydrophobicContact CD1-CG2 3.26Å; D90-T238 WeakPolarHBondContact CA-O 3.35Å; Y91-T238 HydrophobicContact CD1-CG2 4.48Å; Y91-T238 HydrophobicContact CE1-CG2 4.07Å; Y91-T238 PolarHBondContact N-O 2.75Å; F156-T238 HydrophobicContact CB-CG2 4.39Å; F156-T238 HydrophobicContact CD1-CG2 4.38Å; V157-T238 WeakPolarHBondContact O-CG2 3.36Å; V157-T238 PolarHBondContact O-N 3.43Å; V157-T238 VanDerWaalsContact O-N 3.14Å; V157-T238 PolarHBondContact O-OG1 2.55Å; V157-T238 VanDerWaalsContact O-OG1 3.05Å; P158-T238 PolarHBondContact O-OG1 3.24Å; C236-T238 PolarHBondContact O-N 2.99Å
239	K	96.9	Very high	93.5	Very high	57 Å²	57	28 Å²	28	25%	0.248	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	121.9	176.1	-167.7	171.7	-177	178.8	0	110.5	F89 V160 T161 D192 F237	F89-K239 WeakPolarHBondContact O-CA 3.38Å; V160-K239 WeakPolarHBondContact CA-O 3.45Å; V160-K239 HydrophobicContact CG1-CD 4.34Å; V160-K239 HydrophobicContact CG1-CG 4.25Å; V160-K239 HydrophobicContact CG2-CD 4.15Å; T161-K239 PolarHBondContact N-O 3.17Å; D192-K239 WeakPolarHBondContact OD2-CE 3.25Å; D192-K239 IonicContact OD2-NZ 3.95Å; D192-K239 PolarHBondContact OD2-NZ 3.26Å; F237-K239 PolarHBondContact O-N 3.17Å
240	S	98.1	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.2	-177.7	61.7	0	0	0	0	112.1	R88 F89 T161	R88-S240 CarbonylContact C-O 3.59Å; R88-S240 WeakPolarHBondContact CA-O 3.23Å; F89-S240 PolarHBondContact N-O 3.1Å; F89-S240 PolarHBondContact O-N 3.14Å; T161-S240 CarbonylContact O-C 3.5Å; T161-S240 WeakPolarHBondContact O-CA 3.44Å; T161-S240 WeakPolarHBondContact OG1-CA 3.44Å; T161-S240 WeakPolarHBondContact OG1-CB 3.32Å
241	Y	98.3	Very high	94.3	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.02	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132	164.5	-68.8	-92.9	0	0	0	108.6	R88 V160 T161 L162 I163 Y190 D192 L193	R88-Y241 HydrophobicContact CB-CD1 3.93Å; R88-Y241 HydrophobicContact CB-CE1 3.72Å; R88-Y241 WeakPolarHBondContact CD-OH 3.02Å; R88-Y241 HydrophobicContact CG-CD1 4.13Å; R88-Y241 HydrophobicContact CG-CE1 3.71Å; R88-Y241 HydrophobicContact CG-CE2 4.27Å; V160-Y241 HydrophobicContact CG1-CD2 4.08Å; V160-Y241 HydrophobicContact CG1-CE2 3.95Å; T161-Y241 PolarHBondContact O-N 2.84Å; L162-Y241 CarbonylContact C-O 3.56Å; L162-Y241 WeakPolarHBondContact CA-O 3.4Å; I163-Y241 PolarHBondContact N-O 3.26Å; Y190-Y241 HydrophobicContact CD1-CD1 4.09Å; Y190-Y241 AromaticContact CD1-CE1 3.33Å; Y190-Y241 HydrophobicContact CD1-CE1 3.33Å; Y190-Y241 AromaticContact CD1-CZ 3.93Å; Y190-Y241 AromaticContact CD2-CD1 3.95Å; Y190-Y241 HydrophobicContact CD2-CD1 3.95Å; Y190-Y241 AromaticContact CD2-CE1 3.95Å; Y190-Y241 HydrophobicContact CD2-CE1 3.95Å; Y190-Y241 HydrophobicContact CE1-CD1 4.19Å; Y190-Y241 AromaticContact CE1-CE1 3.7Å; Y190-Y241 HydrophobicContact CE1-CE1 3.7Å; Y190-Y241 HydrophobicContact CE2-CD1 4.06Å; Y190-Y241 HydrophobicContact CE2-CE1 4.27Å; Y190-Y241 AromaticContact CG-CD1 3.96Å; Y190-Y241 HydrophobicContact CG-CD1 3.96Å; Y190-Y241 AromaticContact CG-CE1 3.46Å; Y190-Y241 HydrophobicContact CG-CE1 3.46Å; Y190-Y241 VanDerWaalsContact CG-CE1 3.46Å; Y190-Y241 AromaticContact CG-CZ 3.87Å; D192-Y241 VanDerWaalsContact OD1-CE2 3.31Å; D192-Y241 WeakPolarHBondContact OD1-CE2 3.3Å; D192-Y241 VanDerWaalsContact OD1-CZ 3.26Å; D192-Y241 PolarHBondContact OD1-OH 2.79Å; D192-Y241 PolarHBondContact OD2-OH 3.46Å; L193-Y241 HydrophobicContact CD1-CD1 4.27Å; L193-Y241 HydrophobicContact CD1-CD2 3.61Å; L193-Y241 HydrophobicContact CD1-CE2 4.18Å; L193-Y241 HydrophobicContact CD1-CG 3.63Å; L193-Y241 HydrophobicContact CD2-CD2 3.61Å; L193-Y241 HydrophobicContact CD2-CE2 4.19Å; L193-Y241 HydrophobicContact CD2-CG 4.34Å; L193-Y241 HydrophobicContact CG-CD2 3.45Å; L193-Y241 VanDerWaalsContact CG-CD2 3.45Å; L193-Y241 HydrophobicContact CG-CE2 3.73Å; L193-Y241 HydrophobicContact CG-CG 4.04Å
242	V	98	Very high	94.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.5	-175.2	-168.1	0	0	0	0	109.3	C87 F89 L92 L125 L127 F138 I163	C87-V242 PolarHBondContact N-O 3.35Å; C87-V242 VanDerWaalsContact N-O 3.09Å; C87-V242 PolarHBondContact O-N 3.14Å; F89-V242 HydrophobicContact CD2-CB 4.41Å; F89-V242 HydrophobicContact CD2-CG2 3.6Å; F89-V242 HydrophobicContact CE2-CB 4.09Å; F89-V242 HydrophobicContact CE2-CG2 3.67Å; L92-V242 HydrophobicContact CD2-CG2 4.02Å; L125-V242 HydrophobicContact CD1-CG1 4.06Å; L125-V242 HydrophobicContact CD2-CB 4.44Å; L125-V242 HydrophobicContact CD2-CG1 4.49Å; L125-V242 WeakPolarHBondContact CD2-O 3.38Å; L127-V242 HydrophobicContact CD2-CG1 3.51Å; F138-V242 HydrophobicContact CB-CG1 4.45Å; F138-V242 HydrophobicContact CD1-CG1 3.97Å; F138-V242 HydrophobicContact CD2-CG1 3.62Å; F138-V242 HydrophobicContact CE1-CG1 4.06Å; F138-V242 HydrophobicContact CE2-CG1 3.7Å; F138-V242 HydrophobicContact CG-CG1 3.75Å; F138-V242 HydrophobicContact CZ-CG1 3.93Å; F138-V242 HydrophobicContact CZ-CG2 4.33Å; I163-V242 HydrophobicContact CB-CG1 4.32Å; I163-V242 HydrophobicContact CB-CG2 4.19Å; I163-V242 HydrophobicContact CD1-CG2 4.19Å; I163-V242 HydrophobicContact CG1-CG2 4.46Å; I163-V242 HydrophobicContact CG2-CG1 4.44Å
243	G	95.6	Very high	94.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	99.9	171.8	-176.9	0	0	0	0	0	113.9	D126 I163	D126-G243 WeakPolarHBondContact O-CA 3.11Å; I163-G243 PolarHBondContact O-N 3.11Å; I163-G243 VanDerWaalsContact O-N 3.1Å
244	L	94.8	Very high	94.4	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.016	6%	0.064	C	C	.	.			trans	-129.3	148	-175.3	-67.7	176.9	0	0	0	112.7	L162 L164 P182 A183 T186 K246	L162-L244 HydrophobicContact CD2-CD2 4.14Å; L164-L244 HydrophobicContact CB-CD1 4.02Å; L164-L244 HydrophobicContact CB-CD2 4.15Å; L164-L244 HydrophobicContact CB-CG 3.96Å; L164-L244 HydrophobicContact CD1-CD1 3.73Å; L164-L244 HydrophobicContact CD1-CD2 4.11Å; L164-L244 HydrophobicContact CD1-CG 4.29Å; P182-L244 HydrophobicContact CB-CB 4.24Å; P182-L244 HydrophobicContact CB-CD1 4.16Å; A183-L244 HydrophobicContact CB-CD2 4.17Å; T186-L244 HydrophobicContact CG2-CD2 4.45Å; L244-K246 PolarHBondContact O-N 2.98Å
245	S	91.2	Very high	93.9	Very high	20 Å²	20	16.3 Å²	16.3	14%	0.14	8%	0.078	C	C	.	.			trans	-73	123.7	167.7	-178.8	0	0	0	0	110.8	P182 T186 M247	P182-S245 WeakPolarHBondContact CB-O 3.45Å; T186-S245 WeakPolarHBondContact OG1-CB 3.41Å; T186-S245 PolarHBondContact OG1-N 3.47Å; S245-M247 VanDerWaalsContact C-N 3.27Å; S245-M247 PolarHBondContact O-N 2.95Å; S245-M247 WeakPolarHBondContact OG-CB 3.3Å; S245-M247 PolarHBondContact OG-N 3.23Å
246	K	90.9	Very high	93.3	Very high	21 Å²	21	22.2 Å²	22.2	9%	0.091	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-85.1	0.5	178	-52.5	-169.5	177.8	-173.7	0	113.7	T83 D126 S128 S129 V130 E131 L244 T248 T249	T83-K246 WeakPolarHBondContact O-CD 3.45Å; T83-K246 WeakPolarHBondContact O-CE 3.05Å; T83-K246 WeakPolarHBondContact OG1-CD 3.38Å; T83-K246 WeakPolarHBondContact OG1-CE 3.47Å; T83-K246 PolarHBondContact OG1-NZ 3.11Å; D126-K246 IonicContact OD2-NZ 2.98Å; D126-K246 PolarHBondContact OD2-NZ 3.47Å; S128-K246 WeakPolarHBondContact O-CE 3.49Å; S129-K246 VanDerWaalsContact O-CD 3.27Å; S129-K246 WeakPolarHBondContact O-CD 3.37Å; V130-K246 PolarHBondContact O-NZ 2.78Å; V130-K246 VanDerWaalsContact O-NZ 3.14Å; E131-K246 HydrophobicContact CG-CD 3.77Å; L244-K246 PolarHBondContact O-N 2.98Å; K246-T248 PolarHBondContact O-N 3.13Å; K246-T249 PolarHBondContact O-N 3.07Å; K246-T249 VanDerWaalsContact O-N 3.07Å; K246-T249 PolarHBondContact O-OG1 3.12Å
247	M	89.4	Confident	92.9	Very high	80 Å²	80	27.6 Å²	27.6	39%	0.394	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-54.7	-31.2	-172.8	-178.2	-179.1	67.3	0	0	113.1	F185 S245 L266 V267	F185-M247 HydrophobicContact CD1-CE 4.18Å; S245-M247 VanDerWaalsContact C-N 3.27Å; S245-M247 PolarHBondContact O-N 2.95Å; S245-M247 WeakPolarHBondContact OG-CB 3.3Å; S245-M247 PolarHBondContact OG-N 3.23Å; M247-L266 HydrophobicContact CG-CB 4.03Å; M247-L266 HydrophobicContact CG-CD1 4.47Å; M247-V267 WeakPolarHBondContact O-CB 3.41Å; M247-V267 PolarHBondContact O-N 3.43Å
248	T	93.9	Very high	92.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-87.1	-2.4	-175.5	53.8	0	0	0	0	114.7	P182 F185 K246 W250 V267	P182-T248 WeakPolarHBondContact CA-OG1 3.44Å; P182-T248 WeakPolarHBondContact CD-OG1 3.35Å; P182-T248 WeakPolarHBondContact CG-OG1 3.29Å; F185-T248 HydrophobicContact CB-CG2 3.94Å; F185-T248 HydrophobicContact CD2-CG2 3.37Å; F185-T248 HydrophobicContact CE2-CG2 3.98Å; F185-T248 HydrophobicContact CG-CG2 3.71Å; K246-T248 PolarHBondContact O-N 3.13Å; T248-W250 VanDerWaalsContact O-CE3 3.3Å; T248-V267 HydrophobicContact CG2-CG2 4.43Å
249	T	94.7	Very high	92.4	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.031	16%	0.158	C	C	.	.			trans	-84.7	140.1	-178.9	61.3	0	0	0	0	111.2	P182 K246 K262	P182-T249 HydrophobicContact CG-CG2 4.3Å; K246-T249 PolarHBondContact O-N 3.07Å; K246-T249 VanDerWaalsContact O-N 3.07Å; K246-T249 PolarHBondContact O-OG1 3.12Å; T249-K262 PolarHBondContact OG1-NZ 2.76Å
250	W	94.9	Very high	92.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.			trans	-127.1	-12.8	-179.5	66	85.8	0	0	0	114.3	H177 L181 T248 K262 I265 V267 I272 I372 M375 P398 T401 L402 L405	H177-W250 HydrophobicContact CB-CH2 4.35Å; H177-W250 AromaticContact CD2-CD2 3.49Å; H177-W250 VanDerWaalsContact CD2-CD2 3.49Å; H177-W250 AromaticContact CD2-CE2 3.54Å; H177-W250 AromaticContact CD2-CE3 3.46Å; H177-W250 VanDerWaalsContact CD2-CE3 3.46Å; H177-W250 AromaticContact CD2-CH2 3.59Å; H177-W250 AromaticContact CD2-CZ2 3.62Å; H177-W250 AromaticContact CD2-CZ3 3.51Å; H177-W250 AromaticContact NE2-CD2 3.72Å; H177-W250 AromaticContact NE2-CE3 3.87Å; H177-W250 PolarHBondContact NE2-N 3.14Å; L181-W250 HydrophobicContact CD1-CH2 4.05Å; L181-W250 HydrophobicContact CD1-CZ3 3.74Å; T248-W250 VanDerWaalsContact O-CE3 3.3Å; W250-K262 PolarHBondContact O-N 2.91Å; W250-I265 HydrophobicContact CB-CD1 4.18Å; W250-I265 HydrophobicContact CB-CG1 4.35Å; W250-I265 HydrophobicContact CB-CG2 3.91Å; W250-V267 HydrophobicContact CB-CG1 4.27Å; W250-V267 HydrophobicContact CE3-CG1 4.36Å; W250-I272 HydrophobicContact CE3-CD1 4.23Å; W250-I272 HydrophobicContact CH2-CD1 4.47Å; W250-I272 HydrophobicContact CZ3-CD1 3.68Å; W250-I372 HydrophobicContact CH2-CD1 3.79Å; W250-I372 HydrophobicContact CZ2-CD1 3.69Å; W250-M375 HydrophobicContact CH2-CE 4.31Å; W250-P398 PolarHBondContact NE1-O 3.07Å; W250-T401 HydrophobicContact CB-CG2 4.13Å; W250-T401 HydrophobicContact CG-CG2 4.14Å; W250-L402 HydrophobicContact CH2-CD1 4.16Å; W250-L402 HydrophobicContact CZ2-CB 4.02Å; W250-L402 HydrophobicContact CZ2-CD1 4.05Å; W250-L402 HydrophobicContact CZ2-CD2 4.16Å; W250-L402 HydrophobicContact CZ2-CG 4.3Å; W250-L405 HydrophobicContact CB-CD2 4.45Å
251	Y	95.2	Very high	92	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.1	-176.8	-155.9	-103.2	0	0	0	111.7	M173 H177 Y253 Q259 G260 Q395 T397 P398	M173-Y251 HydrophobicContact CE-CD1 4.47Å; H177-Y251 PolarHBondContact CE1-O 2.64Å; H177-Y251 PolarHBondContact NE2-N 3.05Å; H177-Y251 VanDerWaalsContact NE2-N 3.16Å; Y251-Y253 HydrophobicContact CD1-CD1 4.17Å; Y251-Y253 HydrophobicContact CD1-CE1 4.04Å; Y251-Q259 HydrophobicContact CE1-CB 4.4Å; Y251-G260 VanDerWaalsContact CD2-C 3.47Å; Y251-G260 WeakPolarHBondContact CD2-O 3.44Å; Y251-G260 VanDerWaalsContact CE2-CA 3.48Å; Y251-G260 PolarHBondContact OH-N 3.2Å; Y251-Q395 PolarHBondContact OH-O 2.6Å; Y251-T397 PolarHBondContact OH-N 3.46Å; Y251-P398 HydrophobicContact CD1-CB 3.97Å; Y251-P398 VanDerWaalsContact CD2-CA 3.49Å; Y251-P398 HydrophobicContact CD2-CB 3.87Å; Y251-P398 HydrophobicContact CE1-CB 4.2Å; Y251-P398 HydrophobicContact CE1-CG 4.42Å; Y251-P398 HydrophobicContact CE2-CB 4.12Å; Y251-P398 HydrophobicContact CG-CB 3.79Å
252	Q	92.6	Very high	91.6	Very high	34 Å²	34	32.6 Å²	32.6	16%	0.159	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.9	172	62	75.8	21.1	0	0	110.5	Q257 P258 Q259 G260 K262	Q252-Q257 VanDerWaalsContact NE2-NE2 3.16Å; Q252-P258 PolarHBondContact NE2-O 2.79Å; Q252-Q259 WeakPolarHBondContact O-CA 3.26Å; Q252-Q259 WeakPolarHBondContact O-CB 3.4Å; Q252-G260 WeakPolarHBondContact CG-O 3.43Å; Q252-G260 PolarHBondContact N-O 3.37Å; Q252-G260 PolarHBondContact O-N 2.92Å; Q252-K262 HydrophobicContact CB-CG 4.24Å; Q252-K262 HydrophobicContact CG-CG 4.46Å
253	Y	90	Very high	90.9	Very high	21 Å²	21	37.4 Å²	37.4	8%	0.082	21%	0.213	C	C	.	.			trans	-92.5	-0.5	-167	-53.4	-73.5	0	0	0	114.5	F167 M173 H174 H177 D178 Y251 F255 Q259 C458	F167-Y253 HydrophobicContact CE1-CD2 4.39Å; M173-Y253 HydrophobicContact CE-CE1 3.79Å; M173-Y253 VanDerWaalsContact CE-OH 3.25Å; M173-Y253 WeakPolarHBondContact CE-OH 3.38Å; M173-Y253 HydrophobicContact SD-CE1 3.76Å; M173-Y253 PolarHBondContact SD-OH 3.03Å; H174-Y253 AromaticContact CE1-CD1 3.58Å; H174-Y253 AromaticContact CE1-CD2 3.73Å; H174-Y253 AromaticContact CE1-CE1 3.24Å; H174-Y253 WeakPolarHBondContact CE1-CE1 3.45Å; H174-Y253 AromaticContact CE1-CE2 3.43Å; H174-Y253 VanDerWaalsContact CE1-CE2 3.43Å; H174-Y253 WeakPolarHBondContact CE1-CE2 3.46Å; H174-Y253 AromaticContact CE1-CG 3.8Å; H174-Y253 AromaticContact CE1-CZ 3.16Å; H174-Y253 AromaticContact ND1-CE1 3.78Å; H174-Y253 AromaticContact ND1-CE2 3.57Å; H174-Y253 AromaticContact ND1-CZ 3.27Å; H174-Y253 VanDerWaalsContact ND1-CZ 3.27Å; H174-Y253 PolarHBondContact ND1-OH 2.84Å; H177-Y253 PolarHBondContact ND1-OH 3.05Å; D178-Y253 WeakPolarHBondContact OD2-CE2 3.49Å; D178-Y253 PolarHBondContact OD2-OH 3.19Å; Y251-Y253 HydrophobicContact CD1-CD1 4.17Å; Y251-Y253 HydrophobicContact CD1-CE1 4.04Å; Y253-F255 HydrophobicContact CD2-CE2 4.24Å; Y253-Q259 VanDerWaalsContact C-CB 3.5Å; Y253-Q259 WeakPolarHBondContact O-CB 3.28Å; Y253-C458 WeakPolarHBondContact O-CB 3.32Å; Y253-C458 PolarHBondContact O-SG 2.88Å
254	G	86.7	Confident	90.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.247	C	C	.	.			trans	86.8	43.6	170	0	0	0	0	0	116.4	Q257 L457 C458	G254-Q257 CarbonylContact C-O 3.47Å; G254-Q257 WeakPolarHBondContact CA-O 3.43Å; G254-L457 WeakPolarHBondContact O-CA 3.23Å; G254-L457 WeakPolarHBondContact O-CD2 3.12Å; G254-C458 PolarHBondContact O-N 2.95Å
255	F	85.8	Confident	89.8	Confident	68 Å²	68	46.5 Å²	46.5	30%	0.298	26%	0.261	S	S	.	.	S	Bend	trans	-69	-37	174.4	-66.9	-70.5	0	0	0	113.1	V130 H133 F167 Y253 C458	V130-F255 HydrophobicContact CG1-CD2 4.25Å; V130-F255 HydrophobicContact CG1-CE2 3.88Å; H133-F255 AromaticContact CD2-CE1 3.83Å; H133-F255 AromaticContact CD2-CZ 3.99Å; H133-F255 AromaticContact NE2-CE1 3.92Å; F167-F255 HydrophobicContact CE1-CZ 4.47Å; F167-F255 HydrophobicContact CE2-CZ 4.47Å; F167-F255 AromaticContact CZ-CE2 3.93Å; F167-F255 HydrophobicContact CZ-CE2 3.93Å; F167-F255 AromaticContact CZ-CZ 3.63Å; F167-F255 HydrophobicContact CZ-CZ 3.63Å; Y253-F255 HydrophobicContact CD2-CE2 4.24Å; F255-C458 HydrophobicContact CD1-CB 4.3Å; F255-C458 HydrophobicContact CE1-CB 4.19Å
256	V	84.1	Confident	89.6	Confident	124 Å²	124	51.8 Å²	51.8	75%	0.752	29%	0.287	S	S	*	.	S	Bend	trans	-115.6	-26.4	-176.1	-172.7	0	0	0	0	112.3
257	Q	88.1	Confident	89.6	Confident	112 Å²	112	51.1 Å²	51.1	52%	0.523	29%	0.285	S	S	.	.	S	Bend	trans	-136.6	167.6	178.5	61.8	179.3	32.1	0	0	109	Q252 G254 L457	Q252-Q257 VanDerWaalsContact NE2-NE2 3.16Å; G254-Q257 CarbonylContact C-O 3.47Å; G254-Q257 WeakPolarHBondContact CA-O 3.43Å; Q257-L457 WeakPolarHBondContact O-CD2 3.39Å
258	P	90.1	Very high	89.7	Confident	54 Å²	54	48.4 Å²	48.4	35%	0.351	27%	0.273	S	S	.	.			trans	-57.7	145	174	-26.8	36.3	0	0	0	112.5	Q252 R455	Q252-P258 PolarHBondContact NE2-O 2.79Å; P258-R455 HydrophobicContact CB-CB 4.06Å; P258-R455 HydrophobicContact CB-CG 4.38Å; P258-R455 HydrophobicContact CG-CB 4.1Å
259	Q	91.5	Very high	89.5	Confident	39 Å²	39	48.4 Å²	48.4	18%	0.182	27%	0.273	C	S	.	.	S	Bend	trans	-59.8	152.8	-178.1	68.7	-177.8	-74.3	0	0	113.2	Y251 Q252 Y253 Y396	Y251-Q259 HydrophobicContact CE1-CB 4.4Å; Q252-Q259 WeakPolarHBondContact O-CA 3.26Å; Q252-Q259 WeakPolarHBondContact O-CB 3.4Å; Y253-Q259 VanDerWaalsContact C-CB 3.5Å; Y253-Q259 WeakPolarHBondContact O-CB 3.28Å; Q259-Y396 HydrophobicContact CG-CD1 3.99Å; Q259-Y396 HydrophobicContact CG-CE1 4.06Å; Q259-Y396 VanDerWaalsContact NE2-CE1 3.27Å
260	G	92.9	Very high	89.3	Confident	7 Å²	7	52.1 Å²	52.1	7%	0.072	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-178.2	-176.3	0	0	0	0	0	113.8	Y251 Q252	Y251-G260 VanDerWaalsContact CD2-C 3.47Å; Y251-G260 WeakPolarHBondContact CD2-O 3.44Å; Y251-G260 VanDerWaalsContact CE2-CA 3.48Å; Y251-G260 PolarHBondContact OH-N 3.2Å; Q252-G260 WeakPolarHBondContact CG-O 3.43Å; Q252-G260 PolarHBondContact N-O 3.37Å; Q252-G260 PolarHBondContact O-N 2.92Å
261	P	93.4	Very high	89.2	Confident	62 Å²	62	55.1 Å²	55.1	40%	0.403	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	146.1	174.7	-17.9	30.5	0	0	0	111.2	I265 T401	P261-I265 HydrophobicContact CB-CD1 4.41Å; P261-T401 HydrophobicContact CB-CG2 4.2Å; P261-T401 WeakPolarHBondContact CG-OG1 3.25Å
262	K	90.3	Very high	89.4	Confident	29 Å²	29	54.8 Å²	54.8	13%	0.126	31%	0.306	C	S	.	.			trans	-65.9	146.1	172.6	-66.9	-177	68.9	157.3	0	109.9	E131 T249 W250 Q252 N264 I265	E131-K262 WeakPolarHBondContact OE1-CE 3.44Å; E131-K262 IonicContact OE1-NZ 3.2Å; E131-K262 PolarHBondContact OE1-NZ 2.51Å; E131-K262 IonicContact OE2-NZ 2.74Å; T249-K262 PolarHBondContact OG1-NZ 2.76Å; W250-K262 PolarHBondContact O-N 2.91Å; Q252-K262 HydrophobicContact CB-CG 4.24Å; Q252-K262 HydrophobicContact CG-CG 4.46Å; K262-N264 VanDerWaalsContact C-N 3.34Å; K262-N264 PolarHBondContact O-N 3.17Å; K262-I265 HydrophobicContact CB-CG1 4.18Å; K262-I265 WeakPolarHBondContact O-CG1 3.11Å
263	A	82.6	Confident	89.6	Confident	100 Å²	100	54.8 Å²	54.8	83%	0.826	31%	0.305	S	S	*	.	S	Bend	trans	-65.5	-37	-179.9	0	0	0	0	0	112.6
264	N	82.1	Confident	89.9	Confident	136 Å²	136	58 Å²	58	73%	0.727	32%	0.32	S	S	*	.	S	Bend	trans	-120.5	84.6	-179.8	-67.3	-32.9	0	0	0	109.9	K262 L266	K262-N264 VanDerWaalsContact C-N 3.34Å; K262-N264 PolarHBondContact O-N 3.17Å; N264-L266 PolarHBondContact O-N 3.13Å
265	I	86.1	Confident	90.4	Very high	58 Å²	58	58 Å²	58	30%	0.297	32%	0.32	S	S	.	.			trans	-80.7	116.2	175.6	-57	173.6	0	0	0	108.4	W250 P261 K262 V267 T401 L405	W250-I265 HydrophobicContact CB-CD1 4.18Å; W250-I265 HydrophobicContact CB-CG1 4.35Å; W250-I265 HydrophobicContact CB-CG2 3.91Å; P261-I265 HydrophobicContact CB-CD1 4.41Å; K262-I265 HydrophobicContact CB-CG1 4.18Å; K262-I265 WeakPolarHBondContact O-CG1 3.11Å; I265-V267 HydrophobicContact CG2-CG1 3.73Å; I265-T401 HydrophobicContact CD1-CG2 3.66Å; I265-L405 HydrophobicContact CG2-CD2 3.73Å
266	L	86.7	Confident	91	Very high	131 Å²	131	54.8 Å²	54.8	69%	0.686	31%	0.306	S	S	*	.			trans	-92.2	-25.4	-179.5	-59.8	179.7	0	0	0	112.8	M247 N264	M247-L266 HydrophobicContact CG-CB 4.03Å; M247-L266 HydrophobicContact CG-CD1 4.47Å; N264-L266 PolarHBondContact O-N 3.13Å
267	V	90.2	Very high	91.6	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.048	29%	0.291	C	S	.	.			trans	-76.2	142.6	-178.7	69.6	0	0	0	0	111.8	M247 T248 W250 I265 E271 I272 L405	M247-V267 WeakPolarHBondContact O-CB 3.41Å; M247-V267 PolarHBondContact O-N 3.43Å; T248-V267 HydrophobicContact CG2-CG2 4.43Å; W250-V267 HydrophobicContact CB-CG1 4.27Å; W250-V267 HydrophobicContact CE3-CG1 4.36Å; I265-V267 HydrophobicContact CG2-CG1 3.73Å; V267-E271 HydrophobicContact CG2-CB 3.76Å; V267-E271 HydrophobicContact CG2-CG 4.42Å; V267-I272 HydrophobicContact CG2-CD1 3.82Å; V267-I272 HydrophobicContact CG2-CG1 4.09Å; V267-L405 HydrophobicContact CG1-CD1 4.08Å; V267-L405 HydrophobicContact CG1-CD2 4.43Å
268	S	90.9	Very high	92	Very high	22 Å²	22	49.1 Å²	49.1	15%	0.154	27%	0.273	C	S	.	.			trans	-109.2	168.2	167.7	87.6	0	0	0	0	110.2	N270 E271 I272 P406	S268-N270 PolarHBondContact O-N 2.87Å; S268-N270 WeakPolarHBondContact OG-CB 3.34Å; S268-N270 PolarHBondContact OG-N 3.42Å; S268-N270 VanDerWaalsContact OG-N 3.17Å; S268-E271 VanDerWaalsContact CA-OE2 3.26Å; S268-E271 WeakPolarHBondContact CA-OE2 3.44Å; S268-E271 WeakPolarHBondContact CB-OE2 3.31Å; S268-E271 PolarHBondContact N-OE2 3.18Å; S268-E271 PolarHBondContact O-N 3.39Å; S268-E271 VanDerWaalsContact O-OE2 3.13Å; S268-E271 PolarHBondContact OG-OE2 3.23Å; S268-I272 PolarHBondContact O-N 3.42Å; S268-P406 WeakPolarHBondContact CB-O 3.46Å
269	G	90.8	Very high	92.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-18.4	173.8	0	0	0	0	0	113.9	I272 R273 P406 M408	G269-I272 PolarHBondContact O-N 3.05Å; G269-R273 VanDerWaalsContact O-CB 3.3Å; G269-R273 WeakPolarHBondContact O-CB 3.48Å; G269-R273 WeakPolarHBondContact O-CG 3.49Å; G269-R273 PolarHBondContact O-N 2.87Å; G269-P406 PolarHBondContact N-O 3.48Å; G269-M408 WeakPolarHBondContact CA-SD 3.35Å; G269-M408 VanDerWaalsContact O-SD 3.36Å
270	N	89.6	Confident	92.5	Very high	84 Å²	84	45.1 Å²	45.1	45%	0.449	25%	0.25	S	C	.	.	H	α-helix	trans	-67.5	-41.9	175.1	-63.1	-49.3	0	0	0	111.7	S268 R273 H274	S268-N270 PolarHBondContact O-N 2.87Å; S268-N270 WeakPolarHBondContact OG-CB 3.34Å; S268-N270 PolarHBondContact OG-N 3.42Å; S268-N270 VanDerWaalsContact OG-N 3.17Å; N270-R273 PolarHBondContact O-N 2.91Å; N270-H274 WeakPolarHBondContact O-CB 3.27Å; N270-H274 PolarHBondContact O-N 2.86Å
271	E	94.3	Very high	92.6	Very high	62 Å²	62	50.2 Å²	50.2	29%	0.29	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-44.6	175.4	-73.1	73.2	-147	0	0	110.9	F185 V267 S268 R273 H274 F275	F185-E271 HydrophobicContact CE1-CB 4.13Å; F185-E271 HydrophobicContact CE1-CG 3.91Å; F185-E271 HydrophobicContact CE2-CB 4.04Å; F185-E271 HydrophobicContact CZ-CB 3.49Å; F185-E271 VanDerWaalsContact CZ-CB 3.49Å; F185-E271 HydrophobicContact CZ-CG 3.81Å; F185-E271 WeakPolarHBondContact CZ-O 3.42Å; V267-E271 HydrophobicContact CG2-CB 3.76Å; V267-E271 HydrophobicContact CG2-CG 4.42Å; S268-E271 VanDerWaalsContact CA-OE2 3.26Å; S268-E271 WeakPolarHBondContact CA-OE2 3.44Å; S268-E271 WeakPolarHBondContact CB-OE2 3.31Å; S268-E271 PolarHBondContact N-OE2 3.18Å; S268-E271 PolarHBondContact O-N 3.39Å; S268-E271 VanDerWaalsContact O-OE2 3.13Å; S268-E271 PolarHBondContact OG-OE2 3.23Å; E271-R273 PolarHBondContact O-N 3.04Å; E271-H274 PolarHBondContact O-N 2.52Å; E271-F275 PolarHBondContact O-N 3.15Å
272	I	97.9	Very high	92.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-45.7	177.8	-57.7	-56.8	0	0	0	111.2	L181 W250 V267 S268 G269 H274 F275 A276 M375 L402 L405 M408	L181-I272 HydrophobicContact CD1-CD1 3.75Å; L181-I272 HydrophobicContact CD2-CD1 3.92Å; W250-I272 HydrophobicContact CE3-CD1 4.23Å; W250-I272 HydrophobicContact CH2-CD1 4.47Å; W250-I272 HydrophobicContact CZ3-CD1 3.68Å; V267-I272 HydrophobicContact CG2-CD1 3.82Å; V267-I272 HydrophobicContact CG2-CG1 4.09Å; S268-I272 PolarHBondContact O-N 3.42Å; G269-I272 PolarHBondContact O-N 3.05Å; I272-H274 VanDerWaalsContact C-N 3.34Å; I272-H274 PolarHBondContact O-N 3.24Å; I272-F275 PolarHBondContact O-N 2.76Å; I272-A276 WeakPolarHBondContact O-CB 3.46Å; I272-A276 PolarHBondContact O-N 2.99Å; I272-M375 HydrophobicContact CG2-CB 3.62Å; I272-L402 HydrophobicContact CG1-CD1 4.36Å; I272-L402 HydrophobicContact CG2-CD1 3.98Å; I272-L405 HydrophobicContact CG1-CD1 4Å; I272-M408 HydrophobicContact CB-SD 3.7Å; I272-M408 HydrophobicContact CG1-SD 4.45Å; I272-M408 HydrophobicContact CG2-CE 4.05Å; I272-M408 HydrophobicContact CG2-SD 3.76Å
273	R	96.9	Very high	92.9	Very high	34 Å²	34	51.6 Å²	51.6	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-36	178.1	-73.9	-175.6	169.2	-64.6	-0.3	112.6	G269 N270 E271 K277 L377 P378 M408	G269-R273 VanDerWaalsContact O-CB 3.3Å; G269-R273 WeakPolarHBondContact O-CB 3.48Å; G269-R273 WeakPolarHBondContact O-CG 3.49Å; G269-R273 PolarHBondContact O-N 2.87Å; N270-R273 PolarHBondContact O-N 2.91Å; E271-R273 PolarHBondContact O-N 3.04Å; R273-K277 WeakPolarHBondContact O-CB 3.28Å; R273-K277 PolarHBondContact O-N 3.17Å; R273-L377 PolarHBondContact NH1-O 3.22Å; R273-L377 PolarHBondContact NH2-O 3.06Å; R273-P378 PolarHBondContact NH2-O 2.68Å; R273-M408 HydrophobicContact CG-CE 4.19Å; R273-M408 HydrophobicContact CG-SD 3.77Å; R273-M408 VanDerWaalsContact CZ-O 3.22Å; R273-M408 PolarHBondContact NE-O 3.48Å; R273-M408 PolarHBondContact NH2-O 3.27Å
274	H	96.2	Very high	93.4	Very high	87 Å²	87	53.9 Å²	53.9	40%	0.403	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-47.3	174.6	175.8	-165.8	0	0	0	111.1	K188 N270 E271 I272 K277 A278	K188-H274 PolarHBondContact NZ-CE1 3.17Å; K188-H274 PolarHBondContact NZ-NE2 3.17Å; N270-H274 WeakPolarHBondContact O-CB 3.27Å; N270-H274 PolarHBondContact O-N 2.86Å; E271-H274 PolarHBondContact O-N 2.52Å; I272-H274 VanDerWaalsContact C-N 3.34Å; I272-H274 PolarHBondContact O-N 3.24Å; H274-K277 PolarHBondContact O-N 2.7Å; H274-A278 PolarHBondContact O-N 2.91Å
275	F	97.8	Very high	93.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-48.7	174.5	167.3	-96.1	0	0	0	112.1	F176 L180 L181 F184 F185 E271 I272 K277 A278 L279 M375	F176-F275 AromaticContact CD1-CE1 3.69Å; F176-F275 HydrophobicContact CD1-CE1 3.69Å; F176-F275 AromaticContact CD1-CZ 3.99Å; F176-F275 HydrophobicContact CD1-CZ 3.99Å; F176-F275 AromaticContact CE1-CE1 3.88Å; F176-F275 HydrophobicContact CE1-CE1 3.88Å; F176-F275 HydrophobicContact CE1-CZ 4.13Å; L180-F275 HydrophobicContact CB-CE2 4.1Å; L180-F275 HydrophobicContact CB-CZ 3.73Å; L181-F275 HydrophobicContact CD1-CD1 4.48Å; L181-F275 HydrophobicContact CD2-CB 3.49Å; L181-F275 VanDerWaalsContact CD2-CB 3.49Å; L181-F275 HydrophobicContact CD2-CD1 3.37Å; L181-F275 HydrophobicContact CD2-CD2 3.82Å; L181-F275 HydrophobicContact CD2-CE1 3.96Å; L181-F275 HydrophobicContact CD2-CE2 4.34Å; L181-F275 HydrophobicContact CD2-CG 3.26Å; L181-F275 HydrophobicContact CD2-CZ 4.38Å; L181-F275 HydrophobicContact CG-CD1 3.68Å; L181-F275 HydrophobicContact CG-CD2 4.25Å; L181-F275 HydrophobicContact CG-CE1 3.72Å; L181-F275 HydrophobicContact CG-CE2 4.27Å; L181-F275 HydrophobicContact CG-CG 3.94Å; L181-F275 HydrophobicContact CG-CZ 3.99Å; F184-F275 HydrophobicContact CB-CD2 3.68Å; F184-F275 HydrophobicContact CB-CE2 3.86Å; F184-F275 HydrophobicContact CD1-CB 4.2Å; F184-F275 AromaticContact CD1-CD2 3.73Å; F184-F275 HydrophobicContact CD1-CD2 3.73Å; F184-F275 HydrophobicContact CD1-CG 4.46Å; F184-F275 HydrophobicContact CD2-CD2 4.14Å; F184-F275 HydrophobicContact CE1-CB 4.15Å; F184-F275 HydrophobicContact CE1-CD2 4.3Å; F184-F275 AromaticContact CG-CD2 3.61Å; F184-F275 HydrophobicContact CG-CD2 3.61Å; F184-F275 HydrophobicContact CG-CE2 4.21Å; F185-F275 HydrophobicContact CE2-CB 4.15Å; E271-F275 PolarHBondContact O-N 3.15Å; I272-F275 PolarHBondContact O-N 2.76Å; F275-K277 VanDerWaalsContact C-N 3.28Å; F275-K277 PolarHBondContact O-N 3.1Å; F275-A278 PolarHBondContact O-N 3.19Å; F275-A278 VanDerWaalsContact O-N 3.16Å; F275-L279 HydrophobicContact CD1-CD1 4.28Å; F275-L279 HydrophobicContact CE1-CD1 3.44Å; F275-L279 VanDerWaalsContact CE1-CD1 3.44Å; F275-L279 HydrophobicContact CE1-CG 4.31Å; F275-L279 HydrophobicContact CE2-CD1 3.8Å; F275-L279 HydrophobicContact CE2-CG 4.08Å; F275-L279 HydrophobicContact CZ-CD1 3.18Å; F275-L279 HydrophobicContact CZ-CG 3.96Å; F275-L279 PolarHBondContact O-N 3.11Å; F275-M375 HydrophobicContact CD1-SD 4.06Å; F275-M375 HydrophobicContact CE1-SD 3.9Å
276	A	98.1	Very high	93.5	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-42.9	178.6	0	0	0	0	0	111.5	I272 L279 M280 M375 F376	I272-A276 WeakPolarHBondContact O-CB 3.46Å; I272-A276 PolarHBondContact O-N 2.99Å; A276-L279 PolarHBondContact O-N 3.03Å; A276-M280 WeakPolarHBondContact O-CE 3.45Å; A276-M280 WeakPolarHBondContact O-CG 3.25Å; A276-M280 PolarHBondContact O-N 3.3Å; A276-M375 HydrophobicContact CB-CG 4.48Å; A276-F376 HydrophobicContact CB-CD1 3.75Å; A276-F376 HydrophobicContact CB-CE1 3.88Å; A276-F376 HydrophobicContact CB-CG 4.38Å; A276-F376 WeakPolarHBondContact O-CE1 3.45Å
277	K	96.8	Very high	92.4	Very high	100 Å²	100	47.6 Å²	47.6	44%	0.435	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-49.1	175.5	-173.9	-179.2	179.7	-175.6	0	112	R273 H274 F275 L279 M280 E281	R273-K277 WeakPolarHBondContact O-CB 3.28Å; R273-K277 PolarHBondContact O-N 3.17Å; H274-K277 PolarHBondContact O-N 2.7Å; F275-K277 VanDerWaalsContact C-N 3.28Å; F275-K277 PolarHBondContact O-N 3.1Å; K277-L279 VanDerWaalsContact C-N 3.31Å; K277-L279 PolarHBondContact O-N 2.98Å; K277-M280 HydrophobicContact CB-CE 4.49Å; K277-M280 PolarHBondContact O-N 3.2Å; K277-E281 WeakPolarHBondContact CE-OE1 3.36Å; K277-E281 WeakPolarHBondContact O-CG 3.25Å; K277-E281 PolarHBondContact O-N 3.03Å
278	A	96.2	Very high	90.6	Very high	17 Å²	17	56.4 Å²	56.4	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-40.6	-180	0	0	0	0	0	112.1	F184 H274 F275 E281 K282	F184-A278 HydrophobicContact CE2-CB 3.67Å; F184-A278 HydrophobicContact CZ-CB 3.62Å; H274-A278 PolarHBondContact O-N 2.91Å; F275-A278 PolarHBondContact O-N 3.19Å; F275-A278 VanDerWaalsContact O-N 3.16Å; A278-E281 PolarHBondContact O-N 2.74Å; A278-K282 WeakPolarHBondContact O-CG 3.2Å; A278-K282 PolarHBondContact O-N 3.06Å; A278-K282 VanDerWaalsContact O-N 3.11Å
279	L	96.4	Very high	88.3	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-67.9	-40.9	175.3	-81.5	-173.8	0	0	0	113	F176 L216 L217 F275 A276 K277 E281 K282 M283 F376	F176-L279 HydrophobicContact CE1-CD1 3.62Å; F176-L279 HydrophobicContact CZ-CD1 4.35Å; L216-L279 HydrophobicContact CB-CD2 3.7Å; L216-L279 HydrophobicContact CD1-CD2 3.89Å; L216-L279 HydrophobicContact CG-CD2 4.46Å; L217-L279 HydrophobicContact CD2-CD2 4.45Å; F275-L279 HydrophobicContact CD1-CD1 4.28Å; F275-L279 HydrophobicContact CE1-CD1 3.44Å; F275-L279 VanDerWaalsContact CE1-CD1 3.44Å; F275-L279 HydrophobicContact CE1-CG 4.31Å; F275-L279 HydrophobicContact CE2-CD1 3.8Å; F275-L279 HydrophobicContact CE2-CG 4.08Å; F275-L279 HydrophobicContact CZ-CD1 3.18Å; F275-L279 HydrophobicContact CZ-CG 3.96Å; F275-L279 PolarHBondContact O-N 3.11Å; A276-L279 PolarHBondContact O-N 3.03Å; K277-L279 VanDerWaalsContact C-N 3.31Å; K277-L279 PolarHBondContact O-N 2.98Å; L279-E281 VanDerWaalsContact C-N 3.28Å; L279-E281 PolarHBondContact O-N 3.18Å; L279-K282 PolarHBondContact O-N 3.49Å; L279-M283 HydrophobicContact CB-CE 4.16Å; L279-M283 WeakPolarHBondContact O-CE 3.49Å; L279-M283 WeakPolarHBondContact O-CG 3.36Å; L279-M283 PolarHBondContact O-N 2.93Å; L279-F376 HydrophobicContact CB-CE1 4.25Å; L279-F376 HydrophobicContact CB-CZ 4.5Å; L279-F376 HydrophobicContact CD1-CZ 4.24Å
280	M	96.3	Very high	85.8	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-41.7	174.8	-77	-177.4	-62.7	0	0	111.6	A276 K277 K282 M283 N284 I285 K287 I354 S358 F376	A276-M280 WeakPolarHBondContact O-CE 3.45Å; A276-M280 WeakPolarHBondContact O-CG 3.25Å; A276-M280 PolarHBondContact O-N 3.3Å; K277-M280 HydrophobicContact CB-CE 4.49Å; K277-M280 PolarHBondContact O-N 3.2Å; M280-K282 PolarHBondContact O-N 3.27Å; M280-M283 HydrophobicContact CG-CE 4.43Å; M280-M283 CarbonylContact O-C 3.1Å; M280-M283 PolarHBondContact O-N 3.43Å; M280-M283 VanDerWaalsContact O-N 3.13Å; M280-N284 PolarHBondContact O-N 3.39Å; M280-I285 HydrophobicContact CB-CB 4.06Å; M280-I285 HydrophobicContact CB-CG2 4.31Å; M280-I285 HydrophobicContact CG-CB 4.37Å; M280-I285 HydrophobicContact CG-CG2 4.26Å; M280-I285 PolarHBondContact O-N 3.15Å; M280-I285 HydrophobicContact SD-CG2 4.36Å; M280-K287 HydrophobicContact CE-CD 4.27Å; M280-K287 VanDerWaalsContact CE-CE 3.41Å; M280-I354 HydrophobicContact CG-CG2 3.78Å; M280-I354 HydrophobicContact SD-CG2 4.22Å; M280-S358 VanDerWaalsContact SD-CB 3.57Å; M280-F376 HydrophobicContact CE-CD1 4.34Å; M280-F376 HydrophobicContact CG-CD1 3.72Å; M280-F376 HydrophobicContact CG-CE1 4.01Å; M280-F376 HydrophobicContact SD-CD1 3.92Å
281	E	95.1	Very high	83.5	Confident	114 Å²	114	68.2 Å²	68.2	53%	0.533	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-45.5	174.5	-71.2	170.2	-179.3	0	0	111.6	K277 A278 L279 M283 N284	K277-E281 WeakPolarHBondContact CE-OE1 3.36Å; K277-E281 WeakPolarHBondContact O-CG 3.25Å; K277-E281 PolarHBondContact O-N 3.03Å; A278-E281 PolarHBondContact O-N 2.74Å; L279-E281 VanDerWaalsContact C-N 3.28Å; L279-E281 PolarHBondContact O-N 3.18Å; E281-M283 PolarHBondContact O-N 2.95Å; E281-N284 PolarHBondContact O-N 2.88Å
282	K	94.3	Very high	81.1	Confident	101 Å²	101	73.3 Å²	73.3	44%	0.439	37%	0.371	S	S	.	.	H	α-helix	trans	-65.6	-23.4	176.1	-66.6	-74.6	-173.9	176.3	0	113.2	D195 L216 A278 L279 M280 N284	D195-K282 IonicContact OD2-NZ 2.89Å; D195-K282 PolarHBondContact OD2-NZ 3.04Å; L216-K282 HydrophobicContact CB-CB 4.35Å; L216-K282 HydrophobicContact CD2-CB 4.2Å; A278-K282 WeakPolarHBondContact O-CG 3.2Å; A278-K282 PolarHBondContact O-N 3.06Å; A278-K282 VanDerWaalsContact O-N 3.11Å; L279-K282 PolarHBondContact O-N 3.49Å; M280-K282 PolarHBondContact O-N 3.27Å; K282-N284 VanDerWaalsContact C-N 3.35Å
283	M	94.8	Very high	78.2	Confident	20 Å²	20	82.7 Å²	82.7	10%	0.099	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.3	173.2	-69.2	-175.7	-74.7	0	0	113.7	L216 L279 M280 E281 I285 F350 P351 I354 F376	L216-M283 HydrophobicContact CD1-CG 3.78Å; L216-M283 HydrophobicContact CD1-SD 4.16Å; L216-M283 HydrophobicContact CD2-CG 4.26Å; L279-M283 HydrophobicContact CB-CE 4.16Å; L279-M283 WeakPolarHBondContact O-CE 3.49Å; L279-M283 WeakPolarHBondContact O-CG 3.36Å; L279-M283 PolarHBondContact O-N 2.93Å; M280-M283 HydrophobicContact CG-CE 4.43Å; M280-M283 CarbonylContact O-C 3.1Å; M280-M283 PolarHBondContact O-N 3.43Å; M280-M283 VanDerWaalsContact O-N 3.13Å; E281-M283 PolarHBondContact O-N 2.95Å; M283-I285 HydrophobicContact CB-CD1 3.82Å; M283-I285 HydrophobicContact CB-CG1 3.98Å; M283-I285 HydrophobicContact CE-CD1 4.17Å; M283-I285 PolarHBondContact O-N 3.02Å; M283-I285 HydrophobicContact SD-CD1 4.33Å; M283-F350 HydrophobicContact CE-CE1 4.45Å; M283-F350 HydrophobicContact SD-CD1 4.01Å; M283-F350 HydrophobicContact SD-CE1 4.22Å; M283-P351 HydrophobicContact CB-CB 4.38Å; M283-P351 HydrophobicContact CG-CG 4.32Å; M283-P351 HydrophobicContact SD-CB 4.22Å; M283-P351 HydrophobicContact SD-CG 4.07Å; M283-I354 HydrophobicContact CE-CB 4.26Å; M283-I354 HydrophobicContact CE-CG1 4.2Å; M283-I354 HydrophobicContact CE-CG2 3.98Å; M283-F376 HydrophobicContact CE-CE1 4.28Å
284	N	94	Very high	75.2	Confident	147 Å²	147	88 Å²	88	79%	0.786	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	29.6	-173.7	-57.6	-52.4	0	0	0	114.2	M280 E281 K282 T286	M280-N284 PolarHBondContact O-N 3.39Å; E281-N284 PolarHBondContact O-N 2.88Å; K282-N284 VanDerWaalsContact C-N 3.35Å; N284-T286 PolarHBondContact O-N 3.23Å
285	I	92.4	Very high	72.6	Confident	9 Å²	9	88.3 Å²	88.3	5%	0.046	47%	0.469	C	S	.	.			trans	-92.2	98.6	176.5	-62.6	171.3	0	0	0	107.6	M280 M283 P351 I354	M280-I285 HydrophobicContact CB-CB 4.06Å; M280-I285 HydrophobicContact CB-CG2 4.31Å; M280-I285 HydrophobicContact CG-CB 4.37Å; M280-I285 HydrophobicContact CG-CG2 4.26Å; M280-I285 PolarHBondContact O-N 3.15Å; M280-I285 HydrophobicContact SD-CG2 4.36Å; M283-I285 HydrophobicContact CB-CD1 3.82Å; M283-I285 HydrophobicContact CB-CG1 3.98Å; M283-I285 HydrophobicContact CE-CD1 4.17Å; M283-I285 PolarHBondContact O-N 3.02Å; M283-I285 HydrophobicContact SD-CD1 4.33Å; I285-P351 WeakPolarHBondContact CD1-O 3.44Å; I285-I354 HydrophobicContact CD1-CB 3.79Å; I285-I354 HydrophobicContact CD1-CG2 3.68Å
286	T	78.2	Confident	70	Confident	121 Å²	121	91.3 Å²	91.3	74%	0.742	50%	0.5	S	S	*	.			trans	-80.8	122.7	173.6	46	0	0	0	0	110.2	N284	N284-T286 PolarHBondContact O-N 3.23Å
287	K	63.9	Low	67.4	Low	64 Å²	64	93.8 Å²	93.8	28%	0.278	52%	0.517	S	S	.	.			trans	-73.2	138.6	162.7	-73.6	-172.6	166.9	-178.1	0	109.6	M280 D289	M280-K287 HydrophobicContact CE-CD 4.27Å; M280-K287 VanDerWaalsContact CE-CE 3.41Å; K287-D289 HydrophobicContact CB-CB 4.18Å; K287-D289 VanDerWaalsContact CB-CG 3.4Å; K287-D289 WeakPolarHBondContact CB-OD1 3.49Å; K287-D289 WeakPolarHBondContact CB-OD2 3.41Å; K287-D289 WeakPolarHBondContact CD-OD1 3.39Å; K287-D289 PolarHBondContact O-N 2.77Å
288	Q	51.6	Low	65.1	Low	193 Å²	193	91.6 Å²	91.6	90%	0.902	52%	0.515	S	S	*	.			trans	-69.8	62.3	158.3	-74.3	-179.8	-19.8	0	0	109.2	E290	Q288-E290 PolarHBondContact O-N 2.8Å
289	D	42.4	Very low	62.8	Low	87 Å²	87	99 Å²	99	47%	0.465	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-77.5	10.6	178.4	-82.6	-18.1	0	0	0	112.1	K287 A291	K287-D289 HydrophobicContact CB-CB 4.18Å; K287-D289 VanDerWaalsContact CB-CG 3.4Å; K287-D289 WeakPolarHBondContact CB-OD1 3.49Å; K287-D289 WeakPolarHBondContact CB-OD2 3.41Å; K287-D289 WeakPolarHBondContact CD-OD1 3.39Å; K287-D289 PolarHBondContact O-N 2.77Å; D289-A291 VanDerWaalsContact C-N 3.31Å; D289-A291 PolarHBondContact O-N 2.72Å
290	E	39.5	Very low	60.2	Low	183 Å²	183	105.6 Å²	105.6	86%	0.855	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-76.9	-10.7	180	-66.5	-159.7	152.8	0	0	114.1	Q288 E292	Q288-E290 PolarHBondContact O-N 2.8Å; E290-E292 PolarHBondContact O-N 2.87Å
291	A	39.8	Very low	58	Low	84 Å²	84	110 Å²	110	69%	0.694	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-79.9	-11.3	179.8	0	0	0	0	0	114.7	D289	D289-A291 VanDerWaalsContact C-N 3.31Å; D289-A291 PolarHBondContact O-N 2.72Å
292	E	44.7	Very low	55.8	Low	168 Å²	168	111.8 Å²	111.8	79%	0.785	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-93.1	-7.8	-179.5	-72.2	-164.6	161.6	0	0	114.3	E290	E290-E292 PolarHBondContact O-N 2.87Å
293	K	37.2	Very low	53.5	Low	198 Å²	198	113.8 Å²	113.8	86%	0.861	61%	0.611	S	S	*	*	S	Bend	trans	-97	-14.3	-177	-86.4	-171.4	179.2	177.2	0	116.3
294	D	32.8	Very low	51.3	Low	144 Å²	144	121.5 Å²	121.5	77%	0.77	64%	0.639	S	S	*	*			trans	-118.3	112.5	173.4	-114.8	-20.6	0	0	0	111.6	G296	D294-G296 PolarHBondContact O-N 2.84Å
295	G	41.4	Very low	49.3	Very low	94 Å²	94	119 Å²	119	97%	0.969	63%	0.625	S	S	*	*	S	Bend	trans	-72.9	55.5	-179.9	0	0	0	0	0	112.8
296	G	44.5	Very low	47.4	Very low	63 Å²	63	125.9 Å²	125.9	65%	0.649	66%	0.655	S	S	*	*			trans	-165.8	47.2	-175.5	0	0	0	0	0	114.3	D294 S298	D294-G296 PolarHBondContact O-N 2.84Å; G296-S298 PolarHBondContact O-N 3.06Å
297	S	42.7	Very low	46.1	Very low	54 Å²	54	128.7 Å²	128.7	38%	0.378	66%	0.657	S	S	.	*			trans	-70.8	126.1	167.8	56.5	0	0	0	0	110.7	E301 R302	S297-E301 WeakPolarHBondContact CA-OE2 3.25Å; S297-R302 PolarHBondContact OG-NE 3.01Å
298	S	48.8	Very low	46.4	Very low	55 Å²	55	131.3 Å²	131.3	39%	0.385	67%	0.674	S	S	.	*			trans	-64.8	155.4	175.9	62.3	0	0	0	0	110.7	G296 Q300 E301 R302	G296-S298 PolarHBondContact O-N 3.06Å; S298-Q300 PolarHBondContact O-N 2.77Å; S298-Q300 VanDerWaalsContact O-N 3.1Å; S298-E301 PolarHBondContact N-OE2 3.4Å; S298-E301 PolarHBondContact O-N 3.32Å; S298-E301 WeakPolarHBondContact OG-CG 3.48Å; S298-E301 PolarHBondContact OG-N 3.43Å; S298-E301 PolarHBondContact OG-OE2 2.86Å; S298-E301 VanDerWaalsContact OG-OE2 3.1Å; S298-R302 PolarHBondContact O-N 2.6Å
299	E	48.9	Very low	48.2	Very low	172 Å²	172	125.9 Å²	125.9	80%	0.804	65%	0.649	S	S	*	*	H	α-helix	trans	-57	-27.5	177.4	-70.3	-178.2	158	0	0	112.4	E303	E299-E303 PolarHBondContact O-N 2.95Å
300	Q	41.3	Very low	50.8	Low	142 Å²	142	122.9 Å²	122.9	66%	0.664	63%	0.631	S	S	*	*	H	α-helix	trans	-73.5	-31.1	176.8	-70.6	179.4	-8.5	0	0	113.9	S298 R304	S298-Q300 PolarHBondContact O-N 2.77Å; S298-Q300 VanDerWaalsContact O-N 3.1Å; Q300-R304 WeakPolarHBondContact O-CG 3.08Å; Q300-R304 PolarHBondContact O-N 3.18Å; Q300-R304 VanDerWaalsContact O-N 3.15Å
301	E	48.8	Very low	53.6	Low	96 Å²	96	114.2 Å²	114.2	45%	0.449	59%	0.59	S	S	.	*	H	α-helix	trans	-72.9	-39.9	174.1	-76.2	162.6	156.9	0	0	110.8	S297 S298 E303 R304 D305	S297-E301 WeakPolarHBondContact CA-OE2 3.25Å; S298-E301 PolarHBondContact N-OE2 3.4Å; S298-E301 PolarHBondContact O-N 3.32Å; S298-E301 WeakPolarHBondContact OG-CG 3.48Å; S298-E301 PolarHBondContact OG-N 3.43Å; S298-E301 PolarHBondContact OG-OE2 2.86Å; S298-E301 VanDerWaalsContact OG-OE2 3.1Å; E301-E303 VanDerWaalsContact C-N 3.28Å; E301-E303 PolarHBondContact O-N 3.2Å; E301-R304 PolarHBondContact O-N 3.45Å; E301-R304 VanDerWaalsContact O-N 3.13Å; E301-D305 WeakPolarHBondContact O-CB 3.12Å; E301-D305 VanDerWaalsContact O-CG 3.23Å; E301-D305 PolarHBondContact O-N 3.44Å
302	R	50.1	Low	56.4	Low	152 Å²	152	110.2 Å²	110.2	57%	0.574	56%	0.557	S	S	*	*	H	α-helix	trans	-64.6	-30.3	174.6	-66.3	-178.9	-177	-178.7	0.6	113.5	S297 S298 K306	S297-R302 PolarHBondContact OG-NE 3.01Å; S298-R302 PolarHBondContact O-N 2.6Å; R302-K306 WeakPolarHBondContact O-CG 3.25Å; R302-K306 PolarHBondContact O-N 2.92Å
303	E	46.3	Very low	59	Low	143 Å²	143	102.2 Å²	102.2	67%	0.668	52%	0.52	S	S	*	.	H	α-helix	trans	-76.5	-31.7	173.1	-79.2	-167.6	159.8	0	0	113	E299 E301 K307	E299-E303 PolarHBondContact O-N 2.95Å; E301-E303 VanDerWaalsContact C-N 3.28Å; E301-E303 PolarHBondContact O-N 3.2Å; E303-K307 PolarHBondContact O-N 3.05Å
304	R	47	Very low	61.9	Low	183 Å²	183	93 Å²	93	69%	0.691	48%	0.48	S	S	*	.	H	α-helix	trans	-70.2	-43.9	171.3	-75.8	179.3	-178.7	-172.8	1.3	111.5	Q300 E301 K306 K307 D308	Q300-R304 WeakPolarHBondContact O-CG 3.08Å; Q300-R304 PolarHBondContact O-N 3.18Å; Q300-R304 VanDerWaalsContact O-N 3.15Å; E301-R304 PolarHBondContact O-N 3.45Å; E301-R304 VanDerWaalsContact O-N 3.13Å; R304-K306 VanDerWaalsContact C-N 3.31Å; R304-K306 PolarHBondContact O-N 3.08Å; R304-K307 WeakPolarHBondContact O-CA 3.25Å; R304-K307 VanDerWaalsContact O-CB 3.29Å; R304-K307 WeakPolarHBondContact O-CB 3.4Å; R304-K307 PolarHBondContact O-N 3.04Å; R304-D308 PolarHBondContact O-N 2.82Å
305	D	52.6	Low	64.9	Low	93 Å²	93	87.2 Å²	87.2	50%	0.497	45%	0.451	S	S	.	.	H	α-helix	trans	-59.9	-39.7	176.8	-68.9	-20.3	0	0	0	111.8	E301 K307 D308	E301-D305 WeakPolarHBondContact O-CB 3.12Å; E301-D305 VanDerWaalsContact O-CG 3.23Å; E301-D305 PolarHBondContact O-N 3.44Å; D305-K307 PolarHBondContact O-N 3.25Å; D305-D308 PolarHBondContact O-N 2.91Å
306	K	52.5	Low	67.4	Low	154 Å²	154	84 Å²	84	67%	0.67	41%	0.409	S	S	*	.	H	α-helix	trans	-63.4	-26.2	172.5	-84.8	-177.7	177.1	-178.8	0	113.9	R302 R304	R302-K306 WeakPolarHBondContact O-CG 3.25Å; R302-K306 PolarHBondContact O-N 2.92Å; R304-K306 VanDerWaalsContact C-N 3.31Å; R304-K306 PolarHBondContact O-N 3.08Å
307	K	51	Low	69.7	Low	181 Å²	181	84.4 Å²	84.4	79%	0.787	40%	0.402	S	S	*	.	H	α-helix	trans	-83.4	-19.3	-176.7	-143.4	177	-175.5	-179.2	0	112.5	E303 R304 D305	E303-K307 PolarHBondContact O-N 3.05Å; R304-K307 WeakPolarHBondContact O-CA 3.25Å; R304-K307 VanDerWaalsContact O-CB 3.29Å; R304-K307 WeakPolarHBondContact O-CB 3.4Å; R304-K307 PolarHBondContact O-N 3.04Å; D305-K307 PolarHBondContact O-N 3.25Å
308	D	71	Confident	71.9	Confident	119 Å²	119	85.7 Å²	85.7	64%	0.636	41%	0.408	S	S	*	.	S	Bend	trans	-98.2	-1.5	178	-73.8	-26.5	0	0	0	113.4	R304 D305 Y310	R304-D308 PolarHBondContact O-N 2.82Å; D305-D308 PolarHBondContact O-N 2.91Å; D308-Y310 WeakPolarHBondContact O-CD1 3.45Å
309	E	88.4	Confident	73.9	Confident	79 Å²	79	83.8 Å²	83.8	37%	0.369	39%	0.394	S	S	.	.			trans	-64.2	137.1	174.8	-67.6	-163.8	-153.3	0	0	112.2	M338 S361	E309-M338 HydrophobicContact CB-CE 3.56Å; E309-S361 WeakPolarHBondContact CB-OG 3.46Å; E309-S361 VanDerWaalsContact CD-OG 3.32Å; E309-S361 WeakPolarHBondContact CG-OG 3.36Å; E309-S361 WeakPolarHBondContact OE2-CB 3.24Å; E309-S361 PolarHBondContact OE2-OG 3.11Å
310	Y	96.9	Very high	76.2	Confident	24 Å²	24	77.1 Å²	77.1	9%	0.094	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.9	177.2	63	-87.9	0	0	0	113.3	D308 R339 V341 V356 S359 A360 S361	D308-Y310 WeakPolarHBondContact O-CD1 3.45Å; Y310-R339 CarbonylContact C-O 3.55Å; Y310-R339 WeakPolarHBondContact CA-O 3.42Å; Y310-R339 WeakPolarHBondContact CB-O 2.92Å; Y310-V341 HydrophobicContact CD2-CB 4.28Å; Y310-V341 HydrophobicContact CD2-CG2 3.77Å; Y310-V341 HydrophobicContact CE2-CG2 4.38Å; Y310-V341 HydrophobicContact CG-CG2 4.18Å; Y310-V356 HydrophobicContact CE2-CG1 3.67Å; Y310-V356 VanDerWaalsContact CE2-O 3.3Å; Y310-V356 WeakPolarHBondContact CE2-O 3.37Å; Y310-V356 VanDerWaalsContact CZ-O 3.32Å; Y310-V356 PolarHBondContact OH-O 3.23Å; Y310-S359 WeakPolarHBondContact OH-CB 2.94Å; Y310-A360 HydrophobicContact CD2-CB 4.2Å; Y310-A360 HydrophobicContact CE2-CB 3.74Å; Y310-S361 PolarHBondContact O-N 2.85Å
311	I	98.4	Very high	78.8	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.4	175.6	-54.7	178.2	0	0	0	107.6	V313 L332 F336 M338 R339 V340 V341 M362 V364	I311-V313 HydrophobicContact CG2-CG2 4.27Å; I311-L332 HydrophobicContact CD1-CB 4.14Å; I311-L332 HydrophobicContact CD1-CD2 4.25Å; I311-L332 HydrophobicContact CG2-CD1 4.38Å; I311-F336 HydrophobicContact CD1-CB 4.07Å; I311-F336 HydrophobicContact CD1-CD2 4.01Å; I311-F336 HydrophobicContact CD1-CG 4.2Å; I311-M338 HydrophobicContact CD1-CB 4.31Å; I311-M338 HydrophobicContact CD1-SD 4.19Å; I311-M338 HydrophobicContact CG1-CB 4.13Å; I311-M338 HydrophobicContact CG1-CE 3.91Å; I311-M338 HydrophobicContact CG1-SD 3.96Å; I311-R339 PolarHBondContact N-O 3.39Å; I311-V340 HydrophobicContact CB-CG2 4.28Å; I311-V340 CarbonylContact O-C 3.56Å; I311-V340 WeakPolarHBondContact O-CA 3.44Å; I311-V341 PolarHBondContact O-N 2.94Å; I311-M362 CarbonylContact C-O 3.53Å; I311-M362 WeakPolarHBondContact CA-O 3.37Å; I311-M362 HydrophobicContact CB-CB 4.42Å; I311-M362 HydrophobicContact CD1-SD 4.15Å; I311-M362 HydrophobicContact CG1-CB 4.12Å; I311-M362 HydrophobicContact CG1-SD 4.43Å; I311-M362 HydrophobicContact CG2-CB 4.05Å; I311-M362 HydrophobicContact CG2-CG 4.13Å; I311-M362 HydrophobicContact CG2-SD 4.09Å; I311-V364 HydrophobicContact CG2-CG2 3.7Å
312	A	98.6	Very high	81.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.2	169.1	0	0	0	0	0	109.5	V341 V356 A360 M362 L363 V364	A312-V341 CarbonylContact C-O 3.52Å; A312-V341 WeakPolarHBondContact CA-O 3.3Å; A312-V356 HydrophobicContact CB-CG1 4.26Å; A312-A360 HydrophobicContact CB-CB 3.94Å; A312-M362 PolarHBondContact N-O 3.25Å; A312-L363 HydrophobicContact CB-CD1 3.86Å; A312-L363 CarbonylContact O-C 3.58Å; A312-L363 WeakPolarHBondContact O-CA 3.41Å; A312-V364 PolarHBondContact O-N 2.82Å
313	V	98.8	Very high	83.5	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.3	174.7	179.7	0	0	0	0	108.3	I311 S315 L332 V340 V341 T342 V343 V364	I311-V313 HydrophobicContact CG2-CG2 4.27Å; V313-S315 PolarHBondContact O-N 3.24Å; V313-L332 HydrophobicContact CG2-CD1 3.86Å; V313-V340 HydrophobicContact CB-CG1 4.41Å; V313-V340 HydrophobicContact CG2-CG1 3.51Å; V313-V341 PolarHBondContact N-O 2.98Å; V313-T342 CarbonylContact O-C 3.48Å; V313-T342 VanDerWaalsContact O-CA 3.31Å; V313-T342 WeakPolarHBondContact O-CA 2.95Å; V313-V343 PolarHBondContact O-N 3.03Å; V313-V364 WeakPolarHBondContact CA-O 3.36Å; V313-V364 HydrophobicContact CG2-CB 4.2Å
314	F	98.1	Very high	86	Confident	4 Å²	4	59 Å²	59	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.2	171.8	-93.6	-73	0	0	0	110.8	V343 L345 I353 I357 L363 V364 S365 Q370 T373	F314-V343 CarbonylContact C-O 3.57Å; F314-V343 WeakPolarHBondContact CA-O 3.48Å; F314-V343 HydrophobicContact CD1-CG2 3.66Å; F314-V343 HydrophobicContact CD2-CG2 4.19Å; F314-V343 HydrophobicContact CE1-CB 4.47Å; F314-V343 HydrophobicContact CE1-CG2 3.75Å; F314-V343 HydrophobicContact CE2-CG2 4.29Å; F314-V343 HydrophobicContact CG-CG2 3.88Å; F314-V343 HydrophobicContact CZ-CG2 4.08Å; F314-L345 HydrophobicContact CE1-CG 4.35Å; F314-I353 HydrophobicContact CE1-CG2 4.06Å; F314-I353 HydrophobicContact CZ-CG2 3.9Å; F314-I357 HydrophobicContact CE2-CD1 3.64Å; F314-I357 HydrophobicContact CZ-CD1 3.58Å; F314-L363 HydrophobicContact CD2-CD1 3.71Å; F314-L363 HydrophobicContact CD2-CG 4.44Å; F314-L363 HydrophobicContact CE2-CD1 3.79Å; F314-L363 HydrophobicContact CE2-CD2 4.23Å; F314-L363 HydrophobicContact CE2-CG 4.49Å; F314-V364 PolarHBondContact N-O 3.39Å; F314-S365 WeakPolarHBondContact CB-OG 3.48Å; F314-Q370 HydrophobicContact CB-CG 4.4Å; F314-Q370 VanDerWaalsContact CB-NE2 3.34Å; F314-Q370 HydrophobicContact CD1-CB 4.17Å; F314-Q370 HydrophobicContact CD1-CG 3.98Å; F314-Q370 HydrophobicContact CD2-CB 4.45Å; F314-Q370 HydrophobicContact CD2-CG 3.91Å; F314-Q370 HydrophobicContact CE1-CB 3.89Å; F314-Q370 HydrophobicContact CE1-CG 4.19Å; F314-Q370 HydrophobicContact CE2-CB 4.17Å; F314-Q370 HydrophobicContact CE2-CG 4.1Å; F314-Q370 HydrophobicContact CG-CB 4.45Å; F314-Q370 HydrophobicContact CG-CG 3.84Å; F314-Q370 HydrophobicContact CZ-CB 3.89Å; F314-Q370 HydrophobicContact CZ-CG 4.25Å; F314-T373 WeakPolarHBondContact CE2-OG1 3.29Å; F314-T373 HydrophobicContact CZ-CG2 4.31Å
315	S	96.6	Very high	88.4	Confident	23 Å²	23	52.3 Å²	52.3	16%	0.161	26%	0.264	C	S	.	.			trans	-92.3	158.1	167.2	-167.4	0	0	0	0	110.7	V313 E325 V343	V313-S315 PolarHBondContact O-N 3.24Å; S315-E325 WeakPolarHBondContact CA-OE2 3.37Å; S315-E325 WeakPolarHBondContact CB-OE2 3.48Å; S315-E325 VanDerWaalsContact OG-CD 3.31Å; S315-E325 PolarHBondContact OG-OE1 3.41Å; S315-E325 PolarHBondContact OG-OE2 3.44Å; S315-V343 PolarHBondContact N-O 3.36Å
316	R	94.8	Very high	90.6	Very high	26 Å²	26	51.2 Å²	51.2	10%	0.098	27%	0.268	C	S	.	.			trans	-142.5	150	179.9	-64.4	178.5	172.6	-117.9	-2	108.7	T319 R320 L321	R316-T319 WeakPolarHBondContact CD-O 3.25Å; R316-R320 WeakPolarHBondContact CD-O 3.29Å; R316-L321 HydrophobicContact CB-CD2 3.96Å; R316-L321 WeakPolarHBondContact O-CD2 3.45Å
317	S	91.8	Very high	92.8	Very high	72 Å²	72	48.5 Å²	48.5	50%	0.503	26%	0.258	S	S	.	.	S	Bend	trans	-118.9	-9.6	179.1	59.8	0	0	0	0	114.4	E346	S317-E346 PolarHBondContact N-OE1 3.01Å
318	T	89	Confident	95	Very high	82 Å²	82	39.9 Å²	39.9	50%	0.503	22%	0.22	S	C	.	.	S	Bend	trans	-113.3	-53.3	-170.8	55.4	0	0	0	0	114.4
319	T	91.9	Very high	96.3	Very high	14 Å²	14	36 Å²	36	9%	0.086	20%	0.199	C	C	.	.	S	Bend	trans	-143.4	153.9	-174.6	64.2	0	0	0	0	111.1	R316 L321 Y469	R316-T319 WeakPolarHBondContact CD-O 3.25Å; T319-L321 VanDerWaalsContact C-N 3.34Å; T319-Y469 HydrophobicContact CG2-CD1 4.19Å
320	R	95.4	Very high	96.8	Very high	32 Å²	32	37.4 Å²	37.4	12%	0.121	21%	0.207	C	C	.	.	S	Bend	trans	59.1	44.7	178.8	-64.4	174.9	-78.7	-172.2	-11.2	112.5	R316 H367 I468 Y469 Q470 D471	R316-R320 WeakPolarHBondContact CD-O 3.29Å; R320-H367 PolarHBondContact NH1-O 3.01Å; R320-I468 WeakPolarHBondContact CD-O 3.47Å; R320-I468 WeakPolarHBondContact CG-O 3.42Å; R320-Y469 HydrophobicContact CG-CD1 4.41Å; R320-Q470 WeakPolarHBondContact CA-O 3.41Å; R320-D471 WeakPolarHBondContact CA-OD1 3.25Å; R320-D471 PolarHBondContact N-OD1 2.81Å
321	L	97.6	Very high	96.9	Very high	40 Å²	40	36.8 Å²	36.8	21%	0.209	21%	0.207	C	C	.	.			trans	-69.6	145	-176.6	-51.4	-178.7	0	0	0	111	R316 T319 L323 D471 T472	R316-L321 HydrophobicContact CB-CD2 3.96Å; R316-L321 WeakPolarHBondContact O-CD2 3.45Å; T319-L321 VanDerWaalsContact C-N 3.34Å; L321-L323 HydrophobicContact CB-CD2 4.3Å; L321-D471 HydrophobicContact CB-CB 4.01Å; L321-D471 WeakPolarHBondContact CG-OD1 3.1Å; L321-D471 PolarHBondContact N-OD1 2.93Å; L321-T472 PolarHBondContact O-N 2.93Å
322	I	98.6	Very high	96.8	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.077	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-89.1	104.8	162.4	-60.9	177.2	0	0	0	106.7	N324 E325 L328 M366 L386 T472 V474	I322-N324 VanDerWaalsContact C-N 3.28Å; I322-N324 PolarHBondContact O-N 2.94Å; I322-E325 HydrophobicContact CB-CB 4.31Å; I322-E325 HydrophobicContact CG2-CB 4.19Å; I322-E325 PolarHBondContact O-N 3.26Å; I322-L328 HydrophobicContact CD1-CD2 3.8Å; I322-L328 HydrophobicContact CG2-CD2 4.04Å; I322-M366 HydrophobicContact CD1-CG 3.92Å; I322-M366 HydrophobicContact CD1-SD 4.48Å; I322-M366 HydrophobicContact CG1-CG 3.51Å; I322-M366 HydrophobicContact CG1-SD 4.02Å; I322-L386 HydrophobicContact CD1-CD2 4.44Å; I322-T472 WeakPolarHBondContact CA-O 3.42Å; I322-V474 HydrophobicContact CG2-CG2 3.8Å
323	L	98.4	Very high	96.7	Very high	80 Å²	80	38.4 Å²	38.4	42%	0.419	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.3	-169.5	-63	175.4	0	0	0	113.4	L321 V424 D471 T472 L473	L321-L323 HydrophobicContact CB-CD2 4.3Å; L323-V424 HydrophobicContact CD1-CB 4.21Å; L323-V424 HydrophobicContact CD1-CG2 3.55Å; L323-D471 HydrophobicContact CD1-CB 4.34Å; L323-D471 HydrophobicContact CD2-CB 3.89Å; L323-D471 HydrophobicContact CG-CB 4.13Å; L323-T472 PolarHBondContact N-O 3.08Å; L323-L473 HydrophobicContact CB-CD1 4.09Å; L323-L473 HydrophobicContact CD1-CB 4.39Å
324	N	98.3	Very high	96.6	Very high	19 Å²	19	45 Å²	45	10%	0.102	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	42.5	175.9	61.9	-30.2	0	0	0	112.2	I322 A326 E327 L328 L473 V474	I322-N324 VanDerWaalsContact C-N 3.28Å; I322-N324 PolarHBondContact O-N 2.94Å; N324-A326 VanDerWaalsContact C-N 3.28Å; N324-A326 PolarHBondContact O-N 2.9Å; N324-E327 HydrophobicContact CB-CB 4.08Å; N324-E327 PolarHBondContact ND2-OE2 3.14Å; N324-E327 WeakPolarHBondContact O-CB 3.2Å; N324-E327 PolarHBondContact O-N 3.36Å; N324-L328 PolarHBondContact O-N 3.39Å; N324-L473 HydrophobicContact CB-CD1 3.63Å; N324-V474 PolarHBondContact ND2-O 3.06Å; N324-V474 PolarHBondContact OD1-N 2.86Å
325	E	98.1	Very high	96.5	Very high	42 Å²	42	48.1 Å²	48.1	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-52.7	-42.4	-176.9	-169.8	-176	103.2	0	0	113.1	S315 I322 E327 L328 I329	S315-E325 WeakPolarHBondContact CA-OE2 3.37Å; S315-E325 WeakPolarHBondContact CB-OE2 3.48Å; S315-E325 VanDerWaalsContact OG-CD 3.31Å; S315-E325 PolarHBondContact OG-OE1 3.41Å; S315-E325 PolarHBondContact OG-OE2 3.44Å; I322-E325 HydrophobicContact CB-CB 4.31Å; I322-E325 HydrophobicContact CG2-CB 4.19Å; I322-E325 PolarHBondContact O-N 3.26Å; E325-E327 VanDerWaalsContact C-N 3.32Å; E325-E327 PolarHBondContact O-N 3.48Å; E325-L328 WeakPolarHBondContact O-CB 3.44Å; E325-L328 PolarHBondContact O-N 2.88Å; E325-I329 HydrophobicContact CG-CD1 3.89Å; E325-I329 HydrophobicContact CG-CG1 4.42Å; E325-I329 VanDerWaalsContact O-CG1 3.29Å; E325-I329 WeakPolarHBondContact O-CG1 3.48Å; E325-I329 PolarHBondContact O-N 3.16Å
326	A	98	Very high	96.4	Very high	69 Å²	69	49.3 Å²	49.3	57%	0.57	27%	0.267	S	S	*	.	H	α-helix	trans	-61.3	-38.8	177.8	0	0	0	0	0	112.8	N324 M330	N324-A326 VanDerWaalsContact C-N 3.28Å; N324-A326 PolarHBondContact O-N 2.9Å; A326-M330 WeakPolarHBondContact O-CG 3.46Å; A326-M330 PolarHBondContact O-N 3.14Å
327	E	98.5	Very high	96.3	Very high	98 Å²	98	56 Å²	56	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-43	176.3	-164.3	-169.7	170.7	0	0	110.8	N324 E325 I329 M330 A331 I476	N324-E327 HydrophobicContact CB-CB 4.08Å; N324-E327 PolarHBondContact ND2-OE2 3.14Å; N324-E327 WeakPolarHBondContact O-CB 3.2Å; N324-E327 PolarHBondContact O-N 3.36Å; E325-E327 VanDerWaalsContact C-N 3.32Å; E325-E327 PolarHBondContact O-N 3.48Å; E327-I329 PolarHBondContact O-N 3.45Å; E327-M330 PolarHBondContact O-N 2.98Å; E327-A331 VanDerWaalsContact O-CB 3.26Å; E327-A331 WeakPolarHBondContact O-CB 3.19Å; E327-A331 PolarHBondContact O-N 3.31Å; E327-I476 HydrophobicContact CG-CG1 3.89Å; E327-I476 WeakPolarHBondContact OE1-CG1 3.49Å
328	L	98.5	Very high	96.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-46	175.5	177.6	62.8	0	0	0	111.9	I322 N324 E325 A331 L332 V474 I476 F479	I322-L328 HydrophobicContact CD1-CD2 3.8Å; I322-L328 HydrophobicContact CG2-CD2 4.04Å; N324-L328 PolarHBondContact O-N 3.39Å; E325-L328 WeakPolarHBondContact O-CB 3.44Å; E325-L328 PolarHBondContact O-N 2.88Å; L328-A331 PolarHBondContact O-N 3.49Å; L328-L332 HydrophobicContact CD1-CD1 4.1Å; L328-L332 HydrophobicContact CD1-CG 4.27Å; L328-L332 HydrophobicContact CG-CD1 4.03Å; L328-L332 WeakPolarHBondContact O-CB 3.21Å; L328-L332 WeakPolarHBondContact O-CG 3.39Å; L328-L332 PolarHBondContact O-N 3.11Å; L328-V474 HydrophobicContact CD1-CG1 4.39Å; L328-I476 HydrophobicContact CB-CD1 3.97Å; L328-I476 HydrophobicContact CD1-CD1 4.02Å; L328-F479 HydrophobicContact CD1-CD1 3.6Å; L328-F479 HydrophobicContact CD1-CE1 3.39Å; L328-F479 HydrophobicContact CD1-CE2 4.48Å; L328-F479 HydrophobicContact CD1-CG 4.25Å; L328-F479 HydrophobicContact CD1-CZ 3.87Å
329	I	98.3	Very high	96.8	Very high	38 Å²	38	56.4 Å²	56.4	20%	0.195	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-49	177.3	-72.4	166	0	0	0	110.6	E325 E327 A331 L332 A333 V340 T342	E325-I329 HydrophobicContact CG-CD1 3.89Å; E325-I329 HydrophobicContact CG-CG1 4.42Å; E325-I329 VanDerWaalsContact O-CG1 3.29Å; E325-I329 WeakPolarHBondContact O-CG1 3.48Å; E325-I329 PolarHBondContact O-N 3.16Å; E327-I329 PolarHBondContact O-N 3.45Å; I329-A331 VanDerWaalsContact C-N 3.34Å; I329-A331 PolarHBondContact O-N 3.48Å; I329-L332 PolarHBondContact O-N 2.65Å; I329-A333 WeakPolarHBondContact O-CB 3.08Å; I329-A333 PolarHBondContact O-N 3.12Å; I329-V340 HydrophobicContact CB-CG1 4.32Å; I329-V340 HydrophobicContact CG1-CG1 4.07Å; I329-V340 HydrophobicContact CG2-CB 3.95Å; I329-V340 HydrophobicContact CG2-CG1 3.87Å; I329-T342 HydrophobicContact CD1-CG2 3.39Å; I329-T342 HydrophobicContact CG1-CG2 4.32Å
330	M	98.1	Very high	97	Very high	108 Å²	108	57 Å²	57	53%	0.532	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-43	178.5	-73.1	-171.8	-64.1	0	0	111.7	A326 E327 A333 Q334	A326-M330 WeakPolarHBondContact O-CG 3.46Å; A326-M330 PolarHBondContact O-N 3.14Å; E327-M330 PolarHBondContact O-N 2.98Å; M330-A333 PolarHBondContact O-N 3.16Å; M330-Q334 WeakPolarHBondContact O-CB 3.47Å; M330-Q334 VanDerWaalsContact O-CG 3.26Å; M330-Q334 WeakPolarHBondContact O-CG 3.42Å; M330-Q334 PolarHBondContact O-N 3Å
331	A	98.3	Very high	97.2	Very high	11 Å²	11	57 Å²	57	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-44.1	178.8	0	0	0	0	0	112.2	E327 L328 I329 E335 I476 L480	E327-A331 VanDerWaalsContact O-CB 3.26Å; E327-A331 WeakPolarHBondContact O-CB 3.19Å; E327-A331 PolarHBondContact O-N 3.31Å; L328-A331 PolarHBondContact O-N 3.49Å; I329-A331 VanDerWaalsContact C-N 3.34Å; I329-A331 PolarHBondContact O-N 3.48Å; A331-E335 VanDerWaalsContact O-CB 3.23Å; A331-E335 WeakPolarHBondContact O-CB 3.44Å; A331-E335 PolarHBondContact O-N 2.82Å; A331-I476 HydrophobicContact CB-CG2 3.43Å; A331-I476 VanDerWaalsContact CB-CG2 3.43Å; A331-L480 HydrophobicContact CB-CD1 4.25Å; A331-L480 HydrophobicContact CB-CD2 4.49Å
332	L	98.1	Very high	97.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-46.8	175	-76.9	168.6	0	0	0	111.7	I311 V313 L328 I329 Q334 E335 F336 V340 V364 F479 L483	I311-L332 HydrophobicContact CD1-CB 4.14Å; I311-L332 HydrophobicContact CD1-CD2 4.25Å; I311-L332 HydrophobicContact CG2-CD1 4.38Å; V313-L332 HydrophobicContact CG2-CD1 3.86Å; L328-L332 HydrophobicContact CD1-CD1 4.1Å; L328-L332 HydrophobicContact CD1-CG 4.27Å; L328-L332 HydrophobicContact CG-CD1 4.03Å; L328-L332 WeakPolarHBondContact O-CB 3.21Å; L328-L332 WeakPolarHBondContact O-CG 3.39Å; L328-L332 PolarHBondContact O-N 3.11Å; I329-L332 PolarHBondContact O-N 2.65Å; L332-Q334 PolarHBondContact O-N 3.05Å; L332-E335 PolarHBondContact O-N 3.29Å; L332-F336 HydrophobicContact CD2-CD2 4.3Å; L332-F336 HydrophobicContact CD2-CE2 4.23Å; L332-F336 PolarHBondContact O-N 3.15Å; L332-V340 HydrophobicContact CB-CG2 4.02Å; L332-V364 HydrophobicContact CD1-CG2 4.05Å; L332-F479 HydrophobicContact CD2-CE1 3.72Å; L332-F479 HydrophobicContact CD2-CZ 4.06Å; L332-F479 HydrophobicContact CG-CE1 4.14Å; L332-L483 HydrophobicContact CD2-CD2 3.6Å
333	A	96.6	Very high	97.1	Very high	33 Å²	33	57.2 Å²	57.2	27%	0.273	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-44.7	179.3	0	0	0	0	0	111.7	I329 M330 Q337 M338 V340	I329-A333 WeakPolarHBondContact O-CB 3.08Å; I329-A333 PolarHBondContact O-N 3.12Å; M330-A333 PolarHBondContact O-N 3.16Å; A333-Q337 WeakPolarHBondContact O-CA 3.5Å; A333-Q337 PolarHBondContact O-N 3.24Å; A333-M338 WeakPolarHBondContact CA-O 3.47Å; A333-V340 HydrophobicContact CB-CG2 3.79Å
334	Q	95.9	Very high	97.1	Very high	139 Å²	139	53.5 Å²	53.5	65%	0.65	27%	0.274	S	S	*	.	H	α-helix	trans	-69.5	-42.8	179.2	-72.4	175.4	1.9	0	0	112.5	M330 L332 Q337	M330-Q334 WeakPolarHBondContact O-CB 3.47Å; M330-Q334 VanDerWaalsContact O-CG 3.26Å; M330-Q334 WeakPolarHBondContact O-CG 3.42Å; M330-Q334 PolarHBondContact O-N 3Å; L332-Q334 PolarHBondContact O-N 3.05Å; Q334-Q337 PolarHBondContact O-NE2 3.06Å
335	E	95.9	Very high	96.8	Very high	69 Å²	69	55.2 Å²	55.2	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-67.7	-44.1	-176.9	-177.2	61.4	-151.4	0	0	112.1	A331 L332 L480 K484	A331-E335 VanDerWaalsContact O-CB 3.23Å; A331-E335 WeakPolarHBondContact O-CB 3.44Å; A331-E335 PolarHBondContact O-N 2.82Å; L332-E335 PolarHBondContact O-N 3.29Å; E335-L480 HydrophobicContact CB-CD2 4.01Å; E335-L480 HydrophobicContact CG-CD2 4.15Å; E335-K484 WeakPolarHBondContact OE1-CD 3.31Å; E335-K484 WeakPolarHBondContact OE1-CE 3.37Å; E335-K484 IonicContact OE1-NZ 3.42Å; E335-K484 PolarHBondContact OE1-NZ 2.89Å; E335-K484 WeakPolarHBondContact OE2-CE 3.08Å; E335-K484 IonicContact OE2-NZ 3.12Å; E335-K484 PolarHBondContact OE2-NZ 3.23Å
336	F	93.5	Very high	96.5	Very high	48 Å²	48	57.1 Å²	57.1	21%	0.211	29%	0.292	C	S	.	.	H	α-helix	trans	-97.6	-8.6	-174.4	-67.9	-79.7	0	0	0	113.8	I311 L332 M338 M362 L483 M487	I311-F336 HydrophobicContact CD1-CB 4.07Å; I311-F336 HydrophobicContact CD1-CD2 4.01Å; I311-F336 HydrophobicContact CD1-CG 4.2Å; L332-F336 HydrophobicContact CD2-CD2 4.3Å; L332-F336 HydrophobicContact CD2-CE2 4.23Å; L332-F336 PolarHBondContact O-N 3.15Å; F336-M338 HydrophobicContact CB-CB 4.29Å; F336-M338 HydrophobicContact CB-CG 4.01Å; F336-M338 HydrophobicContact CB-SD 3.79Å; F336-M338 WeakPolarHBondContact O-CG 3.38Å; F336-M338 PolarHBondContact O-N 3.47Å; F336-M362 HydrophobicContact CE1-CE 4.31Å; F336-M362 HydrophobicContact CE2-CE 4.46Å; F336-M362 HydrophobicContact CZ-CE 4.29Å; F336-L483 HydrophobicContact CD2-CD2 4.5Å; F336-L483 HydrophobicContact CE2-CD2 3.4Å; F336-L483 VanDerWaalsContact CE2-CD2 3.4Å; F336-L483 HydrophobicContact CE2-CG 3.94Å; F336-L483 HydrophobicContact CZ-CD2 3.72Å; F336-L483 HydrophobicContact CZ-CG 3.7Å; F336-M487 HydrophobicContact CE1-CE 4.43Å; F336-M487 HydrophobicContact CE1-CG 4.13Å; F336-M487 HydrophobicContact CZ-CG 4.36Å
337	Q	94.3	Very high	96.2	Very high	166 Å²	166	61 Å²	61	78%	0.776	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	35.2	-173.9	-59.1	-68	-52.5	0	0	112	A333 Q334	A333-Q337 WeakPolarHBondContact O-CA 3.5Å; A333-Q337 PolarHBondContact O-N 3.24Å; Q334-Q337 PolarHBondContact O-NE2 3.06Å
338	M	93.9	Very high	96	Very high	27 Å²	27	59.5 Å²	59.5	13%	0.133	29%	0.291	C	S	.	.			trans	-115.2	150.3	-179.1	-68.6	170.1	76	0	0	109.8	E309 I311 A333 F336 S361	E309-M338 HydrophobicContact CB-CE 3.56Å; I311-M338 HydrophobicContact CD1-CB 4.31Å; I311-M338 HydrophobicContact CD1-SD 4.19Å; I311-M338 HydrophobicContact CG1-CB 4.13Å; I311-M338 HydrophobicContact CG1-CE 3.91Å; I311-M338 HydrophobicContact CG1-SD 3.96Å; A333-M338 WeakPolarHBondContact CA-O 3.47Å; F336-M338 HydrophobicContact CB-CB 4.29Å; F336-M338 HydrophobicContact CB-CG 4.01Å; F336-M338 HydrophobicContact CB-SD 3.79Å; F336-M338 WeakPolarHBondContact O-CG 3.38Å; F336-M338 PolarHBondContact O-N 3.47Å; M338-S361 VanDerWaalsContact CE-CB 3.45Å
339	R	95.9	Very high	95.9	Very high	136 Å²	136	62.7 Å²	62.7	51%	0.513	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	143.6	168.2	-179.7	172.9	49.8	91.3	7.7	109	Y310 I311 V341	Y310-R339 CarbonylContact C-O 3.55Å; Y310-R339 WeakPolarHBondContact CA-O 3.42Å; Y310-R339 WeakPolarHBondContact CB-O 2.92Å; I311-R339 PolarHBondContact N-O 3.39Å; R339-V341 HydrophobicContact CG-CG2 4.43Å
340	V	97.8	Very high	95.7	Very high	28 Å²	28	62.1 Å²	62.1	17%	0.17	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.7	174.6	-176.5	0	0	0	0	108.4	I311 V313 I329 L332 A333	I311-V340 HydrophobicContact CB-CG2 4.28Å; I311-V340 CarbonylContact O-C 3.56Å; I311-V340 WeakPolarHBondContact O-CA 3.44Å; V313-V340 HydrophobicContact CB-CG1 4.41Å; V313-V340 HydrophobicContact CG2-CG1 3.51Å; I329-V340 HydrophobicContact CB-CG1 4.32Å; I329-V340 HydrophobicContact CG1-CG1 4.07Å; I329-V340 HydrophobicContact CG2-CB 3.95Å; I329-V340 HydrophobicContact CG2-CG1 3.87Å; L332-V340 HydrophobicContact CB-CG2 4.02Å; A333-V340 HydrophobicContact CB-CG2 3.79Å
341	V	97.9	Very high	95.6	Very high	30 Å²	30	59.6 Å²	59.6	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.8	-179.4	-175.4	0	0	0	0	108.4	Y310 I311 A312 V313 R339 V356	Y310-V341 HydrophobicContact CD2-CB 4.28Å; Y310-V341 HydrophobicContact CD2-CG2 3.77Å; Y310-V341 HydrophobicContact CE2-CG2 4.38Å; Y310-V341 HydrophobicContact CG-CG2 4.18Å; I311-V341 PolarHBondContact O-N 2.94Å; A312-V341 CarbonylContact C-O 3.52Å; A312-V341 WeakPolarHBondContact CA-O 3.3Å; V313-V341 PolarHBondContact N-O 2.98Å; R339-V341 HydrophobicContact CG-CG2 4.43Å; V341-V356 HydrophobicContact CB-CG1 4.17Å; V341-V356 HydrophobicContact CG1-CG1 3.8Å; V341-V356 HydrophobicContact CG1-CG2 4.41Å
342	T	97.9	Very high	95.5	Very high	59 Å²	59	61.9 Å²	61.9	36%	0.362	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.1	174.2	51.4	0	0	0	0	111	V313 I329 Q348	V313-T342 CarbonylContact O-C 3.48Å; V313-T342 VanDerWaalsContact O-CA 3.31Å; V313-T342 WeakPolarHBondContact O-CA 2.95Å; I329-T342 HydrophobicContact CD1-CG2 3.39Å; I329-T342 HydrophobicContact CG1-CG2 4.32Å; T342-Q348 PolarHBondContact O-NE2 3.48Å
343	V	97.8	Very high	95.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142	174	-67	0	0	0	0	109.8	V313 F314 S315 Q348 I353 V356	V313-V343 PolarHBondContact O-N 3.03Å; F314-V343 CarbonylContact C-O 3.57Å; F314-V343 WeakPolarHBondContact CA-O 3.48Å; F314-V343 HydrophobicContact CD1-CG2 3.66Å; F314-V343 HydrophobicContact CD2-CG2 4.19Å; F314-V343 HydrophobicContact CE1-CB 4.47Å; F314-V343 HydrophobicContact CE1-CG2 3.75Å; F314-V343 HydrophobicContact CE2-CG2 4.29Å; F314-V343 HydrophobicContact CG-CG2 3.88Å; F314-V343 HydrophobicContact CZ-CG2 4.08Å; S315-V343 PolarHBondContact N-O 3.36Å; V343-Q348 VanDerWaalsContact CA-OE1 3.31Å; V343-I353 HydrophobicContact CB-CG1 4.36Å; V343-I353 HydrophobicContact CB-CG2 4.28Å; V343-I353 HydrophobicContact CG2-CG2 4.45Å; V343-V356 HydrophobicContact CG1-CB 3.9Å; V343-V356 HydrophobicContact CG1-CG1 3.73Å; V343-V356 HydrophobicContact CG1-CG2 4.22Å
344	S	96.7	Very high	95.5	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.014	30%	0.304	C	S	.	.			trans	-141.2	132.8	180	159.4	0	0	0	0	109.7	E346 E347 Q348 I353	S344-E346 PolarHBondContact O-N 2.9Å; S344-E346 PolarHBondContact OG-N 2.91Å; S344-E346 VanDerWaalsContact OG-N 3.11Å; S344-E346 PolarHBondContact OG-OE2 3.28Å; S344-E347 PolarHBondContact O-N 3.25Å; S344-E347 PolarHBondContact OG-N 3Å; S344-Q348 WeakPolarHBondContact O-CB 3.47Å; S344-Q348 PolarHBondContact O-N 3.05Å; S344-I353 WeakPolarHBondContact O-CD1 3.41Å
345	L	93.7	Very high	95.5	Very high	56 Å²	56	57.7 Å²	57.7	29%	0.293	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.9	175.2	-72.8	171.6	0	0	0	111.9	L172 F314 F350 I353 Q370	L172-L345 HydrophobicContact CD2-CD1 3.97Å; L172-L345 HydrophobicContact CD2-CD2 4.04Å; F314-L345 HydrophobicContact CE1-CG 4.35Å; L345-F350 HydrophobicContact CD2-CD2 4.21Å; L345-I353 HydrophobicContact CD2-CD1 3.67Å; L345-I353 HydrophobicContact CG-CD1 4.27Å; L345-Q370 HydrophobicContact CD1-CB 3.66Å; L345-Q370 HydrophobicContact CG-CB 4.46Å
346	E	91.8	Very high	95.6	Very high	81 Å²	81	55.8 Å²	55.8	38%	0.379	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-26.3	179.8	-55.2	94.2	149.5	0	0	112.7	S317 S344	S317-E346 PolarHBondContact N-OE1 3.01Å; S344-E346 PolarHBondContact O-N 2.9Å; S344-E346 PolarHBondContact OG-N 2.91Å; S344-E346 VanDerWaalsContact OG-N 3.11Å; S344-E346 PolarHBondContact OG-OE2 3.28Å
347	E	91.9	Very high	95.8	Very high	151 Å²	151	53.5 Å²	53.5	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-25.8	-174	-62.3	-177.4	173.3	0	0	114.2	S344	S344-E347 PolarHBondContact O-N 3.25Å; S344-E347 PolarHBondContact OG-N 3Å
348	Q	94.4	Very high	95.9	Very high	66 Å²	66	45.8 Å²	45.8	31%	0.308	24%	0.239	S	C	.	.	S	Bend	trans	-120.5	148.1	-171.8	-60.3	172.5	-8.2	0	0	111.4	T342 V343 S344 I353	T342-Q348 PolarHBondContact O-NE2 3.48Å; V343-Q348 VanDerWaalsContact CA-OE1 3.31Å; S344-Q348 WeakPolarHBondContact O-CB 3.47Å; S344-Q348 PolarHBondContact O-N 3.05Å; Q348-I353 HydrophobicContact CB-CD1 4.2Å; Q348-I353 HydrophobicContact CB-CG1 3.86Å
349	S	94.8	Very high	95.9	Very high	67 Å²	67	47.5 Å²	47.5	47%	0.469	25%	0.254	S	S	.	.			trans	-67.6	147.4	173	70.2	0	0	0	0	111.2	S352 I353	S349-S352 WeakPolarHBondContact O-CB 3.46Å; S349-S352 PolarHBondContact O-N 3.33Å; S349-S352 PolarHBondContact OG-OG 3.08Å; S349-I353 PolarHBondContact O-N 3.24Å; S349-I353 VanDerWaalsContact O-N 3.09Å
350	F	95.6	Very high	96	Very high	27 Å²	27	41 Å²	41	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-55.9	-43.7	-179.4	-172.1	-97.7	0	0	0	113.6	L172 F176 L213 M283 L345 S352 I353 I354 T373 F376	L172-F350 HydrophobicContact CD1-CE2 4.23Å; L172-F350 HydrophobicContact CD2-CE2 3.95Å; F176-F350 HydrophobicContact CE2-CE1 4.1Å; F176-F350 HydrophobicContact CE2-CE2 4.06Å; F176-F350 AromaticContact CE2-CZ 3.43Å; F176-F350 HydrophobicContact CE2-CZ 3.43Å; F176-F350 VanDerWaalsContact CE2-CZ 3.43Å; F176-F350 AromaticContact CZ-CE1 3.66Å; F176-F350 HydrophobicContact CZ-CE1 3.66Å; F176-F350 HydrophobicContact CZ-CE2 4.39Å; F176-F350 AromaticContact CZ-CZ 3.35Å; F176-F350 HydrophobicContact CZ-CZ 3.35Å; L213-F350 HydrophobicContact CD2-CD1 3.39Å; L213-F350 HydrophobicContact CD2-CE1 3.69Å; L213-F350 HydrophobicContact CD2-CG 4.04Å; M283-F350 HydrophobicContact CE-CE1 4.45Å; M283-F350 HydrophobicContact SD-CD1 4.01Å; M283-F350 HydrophobicContact SD-CE1 4.22Å; L345-F350 HydrophobicContact CD2-CD2 4.21Å; F350-S352 VanDerWaalsContact C-N 3.3Å; F350-S352 PolarHBondContact O-N 3.18Å; F350-I353 WeakPolarHBondContact O-CB 3.37Å; F350-I353 PolarHBondContact O-N 3.17Å; F350-I354 HydrophobicContact CD1-CG1 3.92Å; F350-I354 HydrophobicContact CE1-CD1 3.97Å; F350-I354 HydrophobicContact CE1-CG1 3.46Å; F350-I354 VanDerWaalsContact CE1-CG1 3.46Å; F350-I354 HydrophobicContact CE2-CD1 4.04Å; F350-I354 HydrophobicContact CE2-CG1 4.24Å; F350-I354 HydrophobicContact CZ-CD1 3.59Å; F350-I354 HydrophobicContact CZ-CG1 3.64Å; F350-I354 WeakPolarHBondContact O-CG1 3.42Å; F350-I354 PolarHBondContact O-N 2.69Å; F350-T373 HydrophobicContact CE2-CG2 3.82Å; F350-T373 HydrophobicContact CZ-CG2 4.22Å; F350-F376 HydrophobicContact CZ-CE2 4.37Å
351	P	95.9	Very high	95.9	Very high	54 Å²	54	41 Å²	41	35%	0.351	23%	0.23	S	C	.	.	H	α-helix	trans	-58.5	-38	174	-26.4	36.4	0	0	0	113.7	M283 I285 I353 I354 Q355	M283-P351 HydrophobicContact CB-CB 4.38Å; M283-P351 HydrophobicContact CG-CG 4.32Å; M283-P351 HydrophobicContact SD-CB 4.22Å; M283-P351 HydrophobicContact SD-CG 4.07Å; I285-P351 WeakPolarHBondContact CD1-O 3.44Å; P351-I353 VanDerWaalsContact C-N 3.34Å; P351-I353 PolarHBondContact O-N 3.24Å; P351-I354 PolarHBondContact O-N 3.2Å; P351-Q355 WeakPolarHBondContact O-CB 3.38Å; P351-Q355 PolarHBondContact O-N 2.95Å
352	S	95.7	Very high	95.9	Very high	59 Å²	59	39.7 Å²	39.7	41%	0.413	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-40	177.4	-55	0	0	0	0	111.5	S349 F350 Q355 V356	S349-S352 WeakPolarHBondContact O-CB 3.46Å; S349-S352 PolarHBondContact O-N 3.33Å; S349-S352 PolarHBondContact OG-OG 3.08Å; F350-S352 VanDerWaalsContact C-N 3.3Å; F350-S352 PolarHBondContact O-N 3.18Å; S352-Q355 WeakPolarHBondContact O-CB 3.14Å; S352-Q355 PolarHBondContact O-N 3.38Å; S352-V356 PolarHBondContact O-N 3.11Å
353	I	97.4	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-46.2	175.3	-64.1	169	0	0	0	110.1	F314 V343 S344 L345 Q348 S349 F350 P351 Q355 V356 I357	F314-I353 HydrophobicContact CE1-CG2 4.06Å; F314-I353 HydrophobicContact CZ-CG2 3.9Å; V343-I353 HydrophobicContact CB-CG1 4.36Å; V343-I353 HydrophobicContact CB-CG2 4.28Å; V343-I353 HydrophobicContact CG2-CG2 4.45Å; S344-I353 WeakPolarHBondContact O-CD1 3.41Å; L345-I353 HydrophobicContact CD2-CD1 3.67Å; L345-I353 HydrophobicContact CG-CD1 4.27Å; Q348-I353 HydrophobicContact CB-CD1 4.2Å; Q348-I353 HydrophobicContact CB-CG1 3.86Å; S349-I353 PolarHBondContact O-N 3.24Å; S349-I353 VanDerWaalsContact O-N 3.09Å; F350-I353 WeakPolarHBondContact O-CB 3.37Å; F350-I353 PolarHBondContact O-N 3.17Å; P351-I353 VanDerWaalsContact C-N 3.34Å; P351-I353 PolarHBondContact O-N 3.24Å; I353-Q355 VanDerWaalsContact C-N 3.31Å; I353-Q355 PolarHBondContact O-N 3.19Å; I353-V356 PolarHBondContact O-N 2.85Å; I353-V356 VanDerWaalsContact O-N 3.15Å; I353-I357 HydrophobicContact CG2-CD1 3.56Å; I353-I357 HydrophobicContact CG2-CG1 4.22Å; I353-I357 WeakPolarHBondContact O-CG1 3.43Å; I353-I357 PolarHBondContact O-N 2.87Å
354	I	97.9	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-34.3	178.4	-61.9	-47.7	0	0	0	111.8	M280 M283 I285 F350 P351 V356 I357 S358 T373 F376	M280-I354 HydrophobicContact CG-CG2 3.78Å; M280-I354 HydrophobicContact SD-CG2 4.22Å; M283-I354 HydrophobicContact CE-CB 4.26Å; M283-I354 HydrophobicContact CE-CG1 4.2Å; M283-I354 HydrophobicContact CE-CG2 3.98Å; I285-I354 HydrophobicContact CD1-CB 3.79Å; I285-I354 HydrophobicContact CD1-CG2 3.68Å; F350-I354 HydrophobicContact CD1-CG1 3.92Å; F350-I354 HydrophobicContact CE1-CD1 3.97Å; F350-I354 HydrophobicContact CE1-CG1 3.46Å; F350-I354 VanDerWaalsContact CE1-CG1 3.46Å; F350-I354 HydrophobicContact CE2-CD1 4.04Å; F350-I354 HydrophobicContact CE2-CG1 4.24Å; F350-I354 HydrophobicContact CZ-CD1 3.59Å; F350-I354 HydrophobicContact CZ-CG1 3.64Å; F350-I354 WeakPolarHBondContact O-CG1 3.42Å; F350-I354 PolarHBondContact O-N 2.69Å; P351-I354 PolarHBondContact O-N 3.2Å; I354-V356 VanDerWaalsContact C-N 3.27Å; I354-V356 PolarHBondContact O-N 3.09Å; I354-I357 PolarHBondContact O-N 2.83Å; I354-S358 WeakPolarHBondContact O-CB 3.44Å; I354-S358 PolarHBondContact O-N 3.42Å; I354-S358 PolarHBondContact O-OG 2.91Å; I354-T373 HydrophobicContact CD1-CG2 3.89Å; I354-F376 HydrophobicContact CD1-CB 4.44Å; I354-F376 HydrophobicContact CD1-CD2 3.47Å; I354-F376 VanDerWaalsContact CD1-CD2 3.47Å; I354-F376 HydrophobicContact CD1-CE2 3.76Å; I354-F376 HydrophobicContact CD1-CG 3.91Å; I354-F376 HydrophobicContact CD1-CZ 4.42Å; I354-F376 HydrophobicContact CG1-CD2 4.36Å; I354-F376 HydrophobicContact CG1-CE2 4.39Å; I354-F376 HydrophobicContact CG2-CB 4.2Å; I354-F376 HydrophobicContact CG2-CD1 3.66Å; I354-F376 HydrophobicContact CG2-CD2 4.48Å; I354-F376 HydrophobicContact CG2-CE1 4.12Å; I354-F376 HydrophobicContact CG2-CG 3.86Å
355	Q	95.8	Very high	96.1	Very high	84 Å²	84	36.8 Å²	36.8	39%	0.393	20%	0.204	S	C	.	.	H	α-helix	trans	-58.8	-40.6	172.9	-176.5	64.8	65.7	0	0	111.4	P351 S352 I353 S358	P351-Q355 WeakPolarHBondContact O-CB 3.38Å; P351-Q355 PolarHBondContact O-N 2.95Å; S352-Q355 WeakPolarHBondContact O-CB 3.14Å; S352-Q355 PolarHBondContact O-N 3.38Å; I353-Q355 VanDerWaalsContact C-N 3.31Å; I353-Q355 PolarHBondContact O-N 3.19Å; Q355-S358 PolarHBondContact O-OG 3.07Å
356	V	96.8	Very high	96.3	Very high	29 Å²	29	34.2 Å²	34.2	18%	0.176	19%	0.191	C	C	.	.	H	α-helix	trans	-72.5	-46.7	175.3	176.9	0	0	0	0	111.2	Y310 A312 V341 V343 S352 I353 I354 S358 A360	Y310-V356 HydrophobicContact CE2-CG1 3.67Å; Y310-V356 VanDerWaalsContact CE2-O 3.3Å; Y310-V356 WeakPolarHBondContact CE2-O 3.37Å; Y310-V356 VanDerWaalsContact CZ-O 3.32Å; Y310-V356 PolarHBondContact OH-O 3.23Å; A312-V356 HydrophobicContact CB-CG1 4.26Å; V341-V356 HydrophobicContact CB-CG1 4.17Å; V341-V356 HydrophobicContact CG1-CG1 3.8Å; V341-V356 HydrophobicContact CG1-CG2 4.41Å; V343-V356 HydrophobicContact CG1-CB 3.9Å; V343-V356 HydrophobicContact CG1-CG1 3.73Å; V343-V356 HydrophobicContact CG1-CG2 4.22Å; S352-V356 PolarHBondContact O-N 3.11Å; I353-V356 PolarHBondContact O-N 2.85Å; I353-V356 VanDerWaalsContact O-N 3.15Å; I354-V356 VanDerWaalsContact C-N 3.27Å; I354-V356 PolarHBondContact O-N 3.09Å; V356-S358 PolarHBondContact O-N 3.07Å; V356-A360 PolarHBondContact O-N 2.86Å
357	I	97.8	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.5	-37.6	-174.7	-68.7	178.2	0	0	0	111.8	F314 I353 I354 S359 A360 L363 T373 F376 L377	F314-I357 HydrophobicContact CE2-CD1 3.64Å; F314-I357 HydrophobicContact CZ-CD1 3.58Å; I353-I357 HydrophobicContact CG2-CD1 3.56Å; I353-I357 HydrophobicContact CG2-CG1 4.22Å; I353-I357 WeakPolarHBondContact O-CG1 3.43Å; I353-I357 PolarHBondContact O-N 2.87Å; I354-I357 PolarHBondContact O-N 2.83Å; I357-S359 PolarHBondContact O-N 2.75Å; I357-S359 VanDerWaalsContact O-N 3.08Å; I357-A360 PolarHBondContact O-N 2.72Å; I357-A360 VanDerWaalsContact O-N 3.12Å; I357-L363 HydrophobicContact CD1-CD1 4.25Å; I357-L363 HydrophobicContact CG1-CD1 4.3Å; I357-T373 HydrophobicContact CD1-CG2 4.29Å; I357-T373 VanDerWaalsContact CD1-OG1 3.23Å; I357-T373 WeakPolarHBondContact CD1-OG1 3.45Å; I357-T373 WeakPolarHBondContact CG2-O 3.24Å; I357-F376 HydrophobicContact CG2-CB 4.29Å; I357-L377 HydrophobicContact CG2-CD2 3.93Å; I357-L377 HydrophobicContact CG2-CG 3.95Å; I357-L377 WeakPolarHBondContact O-CD2 3.43Å
358	S	96.8	Very high	96.8	Very high	5 Å²	5	24 Å²	24	4%	0.035	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.3	-175	62.4	0	0	0	0	115	M280 I354 Q355 V356 F376	M280-S358 VanDerWaalsContact SD-CB 3.57Å; I354-S358 WeakPolarHBondContact O-CB 3.44Å; I354-S358 PolarHBondContact O-N 3.42Å; I354-S358 PolarHBondContact O-OG 2.91Å; Q355-S358 PolarHBondContact O-OG 3.07Å; V356-S358 PolarHBondContact O-N 3.07Å; S358-F376 WeakPolarHBondContact CA-O 3.41Å
359	S	94.6	Very high	96.8	Very high	63 Å²	63	21.9 Å²	21.9	44%	0.441	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	6.3	175.5	-56.4	0	0	0	0	113.7	Y310 I357	Y310-S359 WeakPolarHBondContact OH-CB 2.94Å; I357-S359 PolarHBondContact O-N 2.75Å; I357-S359 VanDerWaalsContact O-N 3.08Å
360	A	96.4	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.			trans	-77.2	137.8	178.7	0	0	0	0	0	111.9	Y310 A312 V356 I357 M362 L377 P378	Y310-A360 HydrophobicContact CD2-CB 4.2Å; Y310-A360 HydrophobicContact CE2-CB 3.74Å; A312-A360 HydrophobicContact CB-CB 3.94Å; V356-A360 PolarHBondContact O-N 2.86Å; I357-A360 PolarHBondContact O-N 2.72Å; I357-A360 VanDerWaalsContact O-N 3.12Å; A360-M362 VanDerWaalsContact C-N 3.34Å; A360-L377 HydrophobicContact CB-CD2 4.07Å; A360-P378 WeakPolarHBondContact O-CD 3.35Å; A360-P378 WeakPolarHBondContact O-CG 3.32Å
361	S	96.2	Very high	97	Very high	26 Å²	26	17.9 Å²	17.9	18%	0.182	11%	0.111	C	C	.	.	S	Bend	trans	-77.6	-23.6	172.7	-62.1	0	0	0	0	112.3	E309 Y310 M338 A381 T382	E309-S361 WeakPolarHBondContact CB-OG 3.46Å; E309-S361 VanDerWaalsContact CD-OG 3.32Å; E309-S361 WeakPolarHBondContact CG-OG 3.36Å; E309-S361 WeakPolarHBondContact OE2-CB 3.24Å; E309-S361 PolarHBondContact OE2-OG 3.11Å; Y310-S361 PolarHBondContact O-N 2.85Å; M338-S361 VanDerWaalsContact CE-CB 3.45Å; S361-A381 CarbonylContact O-C 3.54Å; S361-A381 VanDerWaalsContact O-CA 3.28Å; S361-A381 WeakPolarHBondContact O-CA 3.31Å; S361-T382 PolarHBondContact O-N 2.97Å
362	M	98.1	Very high	97.1	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.02	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	138.8	179.5	-176	-175.6	-60.9	0	0	110.7	I311 A312 F336 A360 V364 T382 V384 L483 M487	I311-M362 CarbonylContact C-O 3.53Å; I311-M362 WeakPolarHBondContact CA-O 3.37Å; I311-M362 HydrophobicContact CB-CB 4.42Å; I311-M362 HydrophobicContact CD1-SD 4.15Å; I311-M362 HydrophobicContact CG1-CB 4.12Å; I311-M362 HydrophobicContact CG1-SD 4.43Å; I311-M362 HydrophobicContact CG2-CB 4.05Å; I311-M362 HydrophobicContact CG2-CG 4.13Å; I311-M362 HydrophobicContact CG2-SD 4.09Å; A312-M362 PolarHBondContact N-O 3.25Å; F336-M362 HydrophobicContact CE1-CE 4.31Å; F336-M362 HydrophobicContact CE2-CE 4.46Å; F336-M362 HydrophobicContact CZ-CE 4.29Å; A360-M362 VanDerWaalsContact C-N 3.34Å; M362-V364 HydrophobicContact CG-CG2 4.01Å; M362-V364 HydrophobicContact SD-CG2 3.86Å; M362-T382 CarbonylContact C-O 3.58Å; M362-T382 WeakPolarHBondContact CA-O 3.45Å; M362-T382 HydrophobicContact CG-CG2 4.38Å; M362-V384 HydrophobicContact CG-CG2 3.79Å; M362-V384 HydrophobicContact SD-CG2 3.7Å; M362-L483 HydrophobicContact CE-CD1 4.16Å; M362-L483 HydrophobicContact CE-CD2 4.41Å; M362-L483 HydrophobicContact SD-CD1 4.27Å; M362-L483 HydrophobicContact SD-CD2 4.16Å; M362-M487 HydrophobicContact CE-CE 4.45Å; M362-M487 HydrophobicContact CE-SD 4.18Å
363	L	98.8	Very high	97.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.7	171	-179.8	62.5	0	0	0	109.5	A312 F314 I357 L371 L377 T382 V384	A312-L363 HydrophobicContact CB-CD1 3.86Å; A312-L363 CarbonylContact O-C 3.58Å; A312-L363 WeakPolarHBondContact O-CA 3.41Å; F314-L363 HydrophobicContact CD2-CD1 3.71Å; F314-L363 HydrophobicContact CD2-CG 4.44Å; F314-L363 HydrophobicContact CE2-CD1 3.79Å; F314-L363 HydrophobicContact CE2-CD2 4.23Å; F314-L363 HydrophobicContact CE2-CG 4.49Å; I357-L363 HydrophobicContact CD1-CD1 4.25Å; I357-L363 HydrophobicContact CG1-CD1 4.3Å; L363-L371 HydrophobicContact CD2-CD2 4.18Å; L363-L371 HydrophobicContact CG-CD2 4.5Å; L363-L377 HydrophobicContact CB-CD1 3.84Å; L363-L377 HydrophobicContact CB-CD2 4.15Å; L363-L377 HydrophobicContact CD2-CD1 4.2Å; L363-T382 PolarHBondContact N-O 2.84Å; L363-V384 PolarHBondContact O-N 2.81Å
364	V	98.8	Very high	97.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.1	178.3	-171.8	0	0	0	0	109.2	I311 A312 V313 F314 L332 M362 V384 L386 F479	I311-V364 HydrophobicContact CG2-CG2 3.7Å; A312-V364 PolarHBondContact O-N 2.82Å; V313-V364 WeakPolarHBondContact CA-O 3.36Å; V313-V364 HydrophobicContact CG2-CB 4.2Å; F314-V364 PolarHBondContact N-O 3.39Å; L332-V364 HydrophobicContact CD1-CG2 4.05Å; M362-V364 HydrophobicContact CG-CG2 4.01Å; M362-V364 HydrophobicContact SD-CG2 3.86Å; V364-V384 WeakPolarHBondContact CA-O 3.44Å; V364-V384 HydrophobicContact CB-CB 4.38Å; V364-V384 HydrophobicContact CG1-CB 4.26Å; V364-V384 HydrophobicContact CG1-CG1 4.34Å; V364-V384 HydrophobicContact CG2-CB 4.04Å; V364-V384 HydrophobicContact CG2-CG2 4.21Å; V364-L386 HydrophobicContact CG1-CD1 3.5Å; V364-F479 HydrophobicContact CG1-CE2 4.47Å; V364-F479 HydrophobicContact CG1-CZ 4.16Å
365	S	98.3	Very high	97.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	147.7	178.8	-176.8	0	0	0	0	112.1	F314 Q370 V384 L386	F314-S365 WeakPolarHBondContact CB-OG 3.48Å; S365-Q370 PolarHBondContact OG-NE2 3.39Å; S365-V384 PolarHBondContact N-O 3.44Å; S365-L386 PolarHBondContact O-N 3.43Å
366	M	98.2	Very high	97.5	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.015	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	142.1	158.8	-69	-60.3	-65.2	0	0	110.5	I322 G368 L386 P388	I322-M366 HydrophobicContact CD1-CG 3.92Å; I322-M366 HydrophobicContact CD1-SD 4.48Å; I322-M366 HydrophobicContact CG1-CG 3.51Å; I322-M366 HydrophobicContact CG1-SD 4.02Å; M366-G368 PolarHBondContact O-N 2.87Å; M366-L386 CarbonylContact C-O 3.59Å; M366-L386 WeakPolarHBondContact CA-O 3.31Å; M366-L386 HydrophobicContact SD-CB 3.38Å; M366-L386 WeakPolarHBondContact SD-CB 3.48Å; M366-L386 HydrophobicContact SD-CD2 4.08Å; M366-L386 HydrophobicContact SD-CG 4.38Å; M366-P388 HydrophobicContact CE-CB 4.48Å; M366-P388 HydrophobicContact CE-CG 3.69Å
367	H	97.6	Very high	97.5	Very high	16 Å²	16	7.1 Å²	7.1	7%	0.074	5%	0.048	C	C	.	.	S	Bend	trans	-49	125	176	178.6	92.3	0	0	0	110.2	R320 E385 L386 F387	R320-H367 PolarHBondContact NH1-O 3.01Å; H367-E385 HydrophobicContact CB-CG 4.36Å; H367-E385 IonicContact CE1-OE1 3.08Å; H367-E385 IonicContact CG-OE1 3.73Å; H367-E385 IonicContact ND1-OE1 3.94Å; H367-E385 PolarHBondContact ND1-OE1 3.39Å; H367-L386 PolarHBondContact N-O 3Å; H367-F387 HydrophobicContact CB-CD1 3.96Å; H367-F387 HydrophobicContact CB-CE1 4Å; H367-F387 AromaticContact CE1-CE1 3.99Å; H367-F387 AromaticContact CG-CE1 3.74Å; H367-F387 AromaticContact ND1-CE1 3.23Å; H367-F387 WeakPolarHBondContact ND1-CE1 3.43Å; H367-F387 AromaticContact ND1-CZ 3.67Å
368	G	95.9	Very high	97.4	Very high	2 Å²	2	9 Å²	9	2%	0.021	6%	0.06	C	C	.	.	S	Bend	trans	164.5	177.2	175.8	0	0	0	0	0	113.6	M366 Q370 L371 Y399	M366-G368 PolarHBondContact O-N 2.87Å; G368-Q370 PolarHBondContact O-N 3.39Å; G368-L371 PolarHBondContact O-N 3.14Å; G368-Y399 VanDerWaalsContact C-OH 3.3Å; G368-Y399 WeakPolarHBondContact O-CE2 3.41Å; G368-Y399 VanDerWaalsContact O-CZ 3.29Å; G368-Y399 PolarHBondContact O-OH 2.72Å
369	A	96.1	Very high	97.2	Very high	20 Å²	20	14.2 Å²	14.2	17%	0.165	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-51.8	-37.3	-167.1	0	0	0	0	0	114.4	N171 L172 M173 L371 I372 Y399	N171-A369 WeakPolarHBondContact OD1-CB 3.4Å; L172-A369 HydrophobicContact CB-CB 4.13Å; M173-A369 HydrophobicContact CB-CB 4.16Å; A369-L371 PolarHBondContact O-N 2.93Å; A369-L371 VanDerWaalsContact O-N 3.14Å; A369-I372 WeakPolarHBondContact O-CB 3.1Å; A369-I372 WeakPolarHBondContact O-CG2 3.41Å; A369-I372 PolarHBondContact O-N 3.01Å; A369-I372 VanDerWaalsContact O-N 3.13Å; A369-Y399 WeakPolarHBondContact CA-OH 3.31Å; A369-Y399 PolarHBondContact O-OH 2.86Å
370	Q	96.1	Very high	97.2	Very high	10 Å²	10	11.9 Å²	11.9	5%	0.047	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-59.1	-24.3	-179.8	69.3	-136.8	42.7	0	0	115.2	F314 L345 S365 G368 I372 T373	F314-Q370 HydrophobicContact CB-CG 4.4Å; F314-Q370 VanDerWaalsContact CB-NE2 3.34Å; F314-Q370 HydrophobicContact CD1-CB 4.17Å; F314-Q370 HydrophobicContact CD1-CG 3.98Å; F314-Q370 HydrophobicContact CD2-CB 4.45Å; F314-Q370 HydrophobicContact CD2-CG 3.91Å; F314-Q370 HydrophobicContact CE1-CB 3.89Å; F314-Q370 HydrophobicContact CE1-CG 4.19Å; F314-Q370 HydrophobicContact CE2-CB 4.17Å; F314-Q370 HydrophobicContact CE2-CG 4.1Å; F314-Q370 HydrophobicContact CG-CB 4.45Å; F314-Q370 HydrophobicContact CG-CG 3.84Å; F314-Q370 HydrophobicContact CZ-CB 3.89Å; F314-Q370 HydrophobicContact CZ-CG 4.25Å; L345-Q370 HydrophobicContact CD1-CB 3.66Å; L345-Q370 HydrophobicContact CG-CB 4.46Å; S365-Q370 PolarHBondContact OG-NE2 3.39Å; G368-Q370 PolarHBondContact O-N 3.39Å; Q370-I372 PolarHBondContact O-N 3.05Å; Q370-I372 VanDerWaalsContact O-N 3.09Å; Q370-T373 WeakPolarHBondContact O-CB 3.29Å; Q370-T373 VanDerWaalsContact O-CG2 3.31Å; Q370-T373 WeakPolarHBondContact O-CG2 3.28Å; Q370-T373 PolarHBondContact O-N 3.09Å; Q370-T373 PolarHBondContact O-OG1 3.37Å
371	L	98.1	Very high	97.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-66.1	-12	178.6	-86.3	171.1	0	0	0	112.8	L363 G368 A369 T373 S374 V383 E385 Y399	L363-L371 HydrophobicContact CD2-CD2 4.18Å; L363-L371 HydrophobicContact CG-CD2 4.5Å; G368-L371 PolarHBondContact O-N 3.14Å; A369-L371 PolarHBondContact O-N 2.93Å; A369-L371 VanDerWaalsContact O-N 3.14Å; L371-T373 PolarHBondContact O-N 2.84Å; L371-S374 WeakPolarHBondContact O-CB 3.44Å; L371-S374 PolarHBondContact O-N 3.08Å; L371-S374 PolarHBondContact O-OG 2.85Å; L371-V383 HydrophobicContact CD2-CG1 4Å; L371-E385 HydrophobicContact CD1-CB 4.14Å; L371-E385 HydrophobicContact CD1-CG 3.59Å; L371-Y399 VanDerWaalsContact C-CE1 3.43Å; L371-Y399 HydrophobicContact CB-CD1 3.72Å; L371-Y399 HydrophobicContact CB-CD2 3.55Å; L371-Y399 HydrophobicContact CB-CE1 3.71Å; L371-Y399 HydrophobicContact CB-CE2 3.5Å; L371-Y399 VanDerWaalsContact CB-CE2 3.5Å; L371-Y399 HydrophobicContact CB-CG 3.65Å; L371-Y399 HydrophobicContact CD1-CD2 3.73Å; L371-Y399 HydrophobicContact CD1-CE2 3.99Å; L371-Y399 HydrophobicContact CD1-CG 4.38Å; L371-Y399 HydrophobicContact CG-CD2 4.29Å; L371-Y399 HydrophobicContact CG-CE2 4.39Å
372	I	98.6	Very high	97.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-58.4	-27.4	170.4	-161.8	50.8	0	0	0	111.9	L172 M173 F176 W250 A369 Q370 S374 M375 Y399 L402	L172-I372 HydrophobicContact CB-CG2 4.47Å; L172-I372 HydrophobicContact CD2-CG2 4.19Å; L172-I372 HydrophobicContact CG-CG2 3.94Å; M173-I372 HydrophobicContact CB-CB 4.36Å; M173-I372 HydrophobicContact CG-CB 4.44Å; M173-I372 HydrophobicContact CG-CD1 4.4Å; M173-I372 HydrophobicContact CG-CG1 4.48Å; F176-I372 HydrophobicContact CB-CD1 4.42Å; F176-I372 HydrophobicContact CB-CG1 3.51Å; F176-I372 HydrophobicContact CB-CG2 4.35Å; F176-I372 HydrophobicContact CD2-CG2 3.95Å; F176-I372 HydrophobicContact CG-CG1 4.18Å; F176-I372 HydrophobicContact CG-CG2 4.34Å; W250-I372 HydrophobicContact CH2-CD1 3.79Å; W250-I372 HydrophobicContact CZ2-CD1 3.69Å; A369-I372 WeakPolarHBondContact O-CB 3.1Å; A369-I372 WeakPolarHBondContact O-CG2 3.41Å; A369-I372 PolarHBondContact O-N 3.01Å; A369-I372 VanDerWaalsContact O-N 3.13Å; Q370-I372 PolarHBondContact O-N 3.05Å; Q370-I372 VanDerWaalsContact O-N 3.09Å; I372-S374 PolarHBondContact O-N 2.86Å; I372-S374 VanDerWaalsContact O-N 3.08Å; I372-M375 HydrophobicContact CD1-CE 3.51Å; I372-M375 HydrophobicContact CG1-CE 3.65Å; I372-M375 VanDerWaalsContact O-CG 3.32Å; I372-M375 WeakPolarHBondContact O-CG 3.5Å; I372-M375 PolarHBondContact O-N 3.37Å; I372-M375 VanDerWaalsContact O-N 3.17Å; I372-Y399 HydrophobicContact CB-CE1 4.12Å; I372-Y399 HydrophobicContact CD1-CE1 4.47Å; I372-L402 HydrophobicContact CD1-CD2 4.27Å
373	T	98.5	Very high	97.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-62.8	-13.8	174.8	61.3	0	0	0	0	113.5	L172 F314 F350 I354 I357 Q370 L371 M375 F376	L172-T373 HydrophobicContact CD2-CG2 4.34Å; F314-T373 WeakPolarHBondContact CE2-OG1 3.29Å; F314-T373 HydrophobicContact CZ-CG2 4.31Å; F350-T373 HydrophobicContact CE2-CG2 3.82Å; F350-T373 HydrophobicContact CZ-CG2 4.22Å; I354-T373 HydrophobicContact CD1-CG2 3.89Å; I357-T373 HydrophobicContact CD1-CG2 4.29Å; I357-T373 VanDerWaalsContact CD1-OG1 3.23Å; I357-T373 WeakPolarHBondContact CD1-OG1 3.45Å; I357-T373 WeakPolarHBondContact CG2-O 3.24Å; Q370-T373 WeakPolarHBondContact O-CB 3.29Å; Q370-T373 VanDerWaalsContact O-CG2 3.31Å; Q370-T373 WeakPolarHBondContact O-CG2 3.28Å; Q370-T373 PolarHBondContact O-N 3.09Å; Q370-T373 PolarHBondContact O-OG1 3.37Å; L371-T373 PolarHBondContact O-N 2.84Å; T373-M375 PolarHBondContact O-N 3.35Å; T373-F376 WeakPolarHBondContact O-CB 3.49Å; T373-F376 WeakPolarHBondContact O-CD2 3.49Å; T373-F376 PolarHBondContact O-N 2.66Å
374	S	98.5	Very high	97.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-56.4	-21.3	170.7	60.4	0	0	0	0	113.4	L371 I372 F376 L377 L402 L410	L371-S374 WeakPolarHBondContact O-CB 3.44Å; L371-S374 PolarHBondContact O-N 3.08Å; L371-S374 PolarHBondContact O-OG 2.85Å; I372-S374 PolarHBondContact O-N 2.86Å; I372-S374 VanDerWaalsContact O-N 3.08Å; S374-F376 PolarHBondContact O-N 2.73Å; S374-L377 VanDerWaalsContact O-CB 3.32Å; S374-L377 WeakPolarHBondContact O-CB 3.22Å; S374-L377 PolarHBondContact O-N 2.83Å; S374-L377 VanDerWaalsContact O-N 3.13Å; S374-L402 WeakPolarHBondContact OG-CD2 3.33Å; S374-L410 WeakPolarHBondContact O-CD1 3.31Å
375	M	98.2	Very high	97.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-60.9	-23.3	172.5	71.1	177.1	55.3	0	0	114.2	F176 L181 W250 I272 F275 A276 I372 T373 L402	F176-M375 HydrophobicContact CB-CE 4.2Å; F176-M375 HydrophobicContact CD1-CE 4.22Å; F176-M375 HydrophobicContact CD1-SD 3.83Å; F176-M375 HydrophobicContact CE1-SD 4.3Å; F176-M375 HydrophobicContact CG-CE 4.47Å; L181-M375 HydrophobicContact CD1-CE 4.02Å; W250-M375 HydrophobicContact CH2-CE 4.31Å; I272-M375 HydrophobicContact CG2-CB 3.62Å; F275-M375 HydrophobicContact CD1-SD 4.06Å; F275-M375 HydrophobicContact CE1-SD 3.9Å; A276-M375 HydrophobicContact CB-CG 4.48Å; I372-M375 HydrophobicContact CD1-CE 3.51Å; I372-M375 HydrophobicContact CG1-CE 3.65Å; I372-M375 VanDerWaalsContact O-CG 3.32Å; I372-M375 WeakPolarHBondContact O-CG 3.5Å; I372-M375 PolarHBondContact O-N 3.37Å; I372-M375 VanDerWaalsContact O-N 3.17Å; T373-M375 PolarHBondContact O-N 3.35Å; M375-L402 HydrophobicContact CB-CD2 4.33Å
376	F	98.3	Very high	97.3	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-85.2	-13.7	179.1	-64.5	-84	0	0	0	113.1	F176 A276 L279 M280 M283 F350 I354 I357 S358 T373 S374	F176-F376 AromaticContact CE1-CE2 3.91Å; F176-F376 HydrophobicContact CE1-CE2 3.91Å; F176-F376 AromaticContact CE1-CZ 3.8Å; F176-F376 HydrophobicContact CE1-CZ 3.8Å; F176-F376 HydrophobicContact CZ-CE2 4.09Å; F176-F376 HydrophobicContact CZ-CZ 4.14Å; A276-F376 HydrophobicContact CB-CD1 3.75Å; A276-F376 HydrophobicContact CB-CE1 3.88Å; A276-F376 HydrophobicContact CB-CG 4.38Å; A276-F376 WeakPolarHBondContact O-CE1 3.45Å; L279-F376 HydrophobicContact CB-CE1 4.25Å; L279-F376 HydrophobicContact CB-CZ 4.5Å; L279-F376 HydrophobicContact CD1-CZ 4.24Å; M280-F376 HydrophobicContact CE-CD1 4.34Å; M280-F376 HydrophobicContact CG-CD1 3.72Å; M280-F376 HydrophobicContact CG-CE1 4.01Å; M280-F376 HydrophobicContact SD-CD1 3.92Å; M283-F376 HydrophobicContact CE-CE1 4.28Å; F350-F376 HydrophobicContact CZ-CE2 4.37Å; I354-F376 HydrophobicContact CD1-CB 4.44Å; I354-F376 HydrophobicContact CD1-CD2 3.47Å; I354-F376 VanDerWaalsContact CD1-CD2 3.47Å; I354-F376 HydrophobicContact CD1-CE2 3.76Å; I354-F376 HydrophobicContact CD1-CG 3.91Å; I354-F376 HydrophobicContact CD1-CZ 4.42Å; I354-F376 HydrophobicContact CG1-CD2 4.36Å; I354-F376 HydrophobicContact CG1-CE2 4.39Å; I354-F376 HydrophobicContact CG2-CB 4.2Å; I354-F376 HydrophobicContact CG2-CD1 3.66Å; I354-F376 HydrophobicContact CG2-CD2 4.48Å; I354-F376 HydrophobicContact CG2-CE1 4.12Å; I354-F376 HydrophobicContact CG2-CG 3.86Å; I357-F376 HydrophobicContact CG2-CB 4.29Å; S358-F376 WeakPolarHBondContact CA-O 3.41Å; T373-F376 WeakPolarHBondContact O-CB 3.49Å; T373-F376 WeakPolarHBondContact O-CD2 3.49Å; T373-F376 PolarHBondContact O-N 2.66Å; S374-F376 PolarHBondContact O-N 2.73Å
377	L	97.8	Very high	97.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-59.9	147	-179.5	-74.7	165.5	0	0	0	112.3	R273 I357 A360 L363 S374 A381 V383 L410	R273-L377 PolarHBondContact NH1-O 3.22Å; R273-L377 PolarHBondContact NH2-O 3.06Å; I357-L377 HydrophobicContact CG2-CD2 3.93Å; I357-L377 HydrophobicContact CG2-CG 3.95Å; I357-L377 WeakPolarHBondContact O-CD2 3.43Å; A360-L377 HydrophobicContact CB-CD2 4.07Å; L363-L377 HydrophobicContact CB-CD1 3.84Å; L363-L377 HydrophobicContact CB-CD2 4.15Å; L363-L377 HydrophobicContact CD2-CD1 4.2Å; S374-L377 VanDerWaalsContact O-CB 3.32Å; S374-L377 WeakPolarHBondContact O-CB 3.22Å; S374-L377 PolarHBondContact O-N 2.83Å; S374-L377 VanDerWaalsContact O-N 3.13Å; L377-A381 HydrophobicContact CB-CB 3.87Å; L377-A381 HydrophobicContact CD1-CB 4.42Å; L377-A381 HydrophobicContact CD2-CB 4.05Å; L377-A381 HydrophobicContact CG-CB 4.35Å; L377-V383 HydrophobicContact CD1-CG2 3.54Å; L377-L410 HydrophobicContact CB-CD2 3.82Å
378	P	95.3	Very high	97.3	Very high	39 Å²	39	9.8 Å²	9.8	25%	0.253	5%	0.053	S	C	.	.	P	Polyproline II helix	trans	-65.7	162.7	174.7	27.2	-30.4	0	0	0	111.3	R273 A360 A381 L410	R273-P378 PolarHBondContact NH2-O 2.68Å; A360-P378 WeakPolarHBondContact O-CD 3.35Å; A360-P378 WeakPolarHBondContact O-CG 3.32Å; P378-A381 HydrophobicContact CG-CB 4.09Å; P378-A381 VanDerWaalsContact O-CB 3.28Å; P378-A381 WeakPolarHBondContact O-CB 3.32Å; P378-A381 PolarHBondContact O-N 3.27Å; P378-L410 WeakPolarHBondContact O-CD2 3.34Å
379	R	93.8	Very high	97.4	Very high	114 Å²	114	10.5 Å²	10.5	43%	0.43	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	140.5	174.5	-73.7	-177.2	157.7	142.9	4.4	109.8	A381 D409 L493	R379-A381 PolarHBondContact O-N 3.4Å; R379-D409 HydrophobicContact CB-CB 4.27Å; R379-D409 WeakPolarHBondContact CD-OD2 3.39Å; R379-D409 HydrophobicContact CG-CB 4.11Å; R379-D409 IonicContact CZ-OD2 2.74Å; R379-D409 IonicContact NE-OD2 2.65Å; R379-D409 PolarHBondContact NE-OD2 3.48Å; R379-D409 IonicContact NH2-OD2 2.69Å; R379-L493 HydrophobicContact CB-CD2 4.19Å
380	G	92.8	Very high	97.5	Very high	15 Å²	15	9.5 Å²	9.5	16%	0.155	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	2.1	-176.5	0	0	0	0	0	114.8	D409 K490	G380-D409 WeakPolarHBondContact CA-O 3.5Å; G380-D409 PolarHBondContact N-O 2.95Å; G380-K490 WeakPolarHBondContact O-CE 3.4Å; G380-K490 PolarHBondContact O-NZ 3.39Å
381	A	96.3	Very high	97.5	Very high	2 Å²	2	9 Å²	9	2%	0.017	5%	0.045	C	C	.	.			trans	-67	158.1	169.5	0	0	0	0	0	111.4	S361 L377 P378 R379 L410 H411	S361-A381 CarbonylContact O-C 3.54Å; S361-A381 VanDerWaalsContact O-CA 3.28Å; S361-A381 WeakPolarHBondContact O-CA 3.31Å; L377-A381 HydrophobicContact CB-CB 3.87Å; L377-A381 HydrophobicContact CD1-CB 4.42Å; L377-A381 HydrophobicContact CD2-CB 4.05Å; L377-A381 HydrophobicContact CG-CB 4.35Å; P378-A381 HydrophobicContact CG-CB 4.09Å; P378-A381 VanDerWaalsContact O-CB 3.28Å; P378-A381 WeakPolarHBondContact O-CB 3.32Å; P378-A381 PolarHBondContact O-N 3.27Å; R379-A381 PolarHBondContact O-N 3.4Å; A381-L410 HydrophobicContact CB-CD2 4.15Å; A381-H411 PolarHBondContact O-N 2.94Å
382	T	98.2	Very high	97.4	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.006	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.7	179.5	-57.6	0	0	0	0	110.9	S361 M362 L363 V384 H411 I413 M487 K490	S361-T382 PolarHBondContact O-N 2.97Å; M362-T382 CarbonylContact C-O 3.58Å; M362-T382 WeakPolarHBondContact CA-O 3.45Å; M362-T382 HydrophobicContact CG-CG2 4.38Å; L363-T382 PolarHBondContact N-O 2.84Å; T382-V384 HydrophobicContact CG2-CG2 3.88Å; T382-H411 CarbonylContact C-O 3.59Å; T382-H411 VanDerWaalsContact CA-O 3.27Å; T382-H411 WeakPolarHBondContact CA-O 3.47Å; T382-H411 HydrophobicContact CG2-CB 4.43Å; T382-I413 HydrophobicContact CG2-CD1 3.8Å; T382-I413 HydrophobicContact CG2-CG1 4.2Å; T382-M487 HydrophobicContact CG2-SD 4.11Å; T382-K490 PolarHBondContact OG1-NZ 2.79Å
383	V	98.6	Very high	97.3	Very high	1 Å²	1	11 Å²	11	1%	0.006	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.7	167	-176.6	0	0	0	0	108.1	L371 L377 L410 H411 Y412 I413	L371-V383 HydrophobicContact CD2-CG1 4Å; L377-V383 HydrophobicContact CD1-CG2 3.54Å; V383-L410 HydrophobicContact CG2-CD1 4.17Å; V383-H411 PolarHBondContact N-O 3Å; V383-Y412 HydrophobicContact CB-CD2 4.3Å; V383-Y412 HydrophobicContact CG1-CD2 4.32Å; V383-I413 PolarHBondContact O-N 2.78Å
384	V	98.8	Very high	97	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	107.9	176.3	-171.7	0	0	0	0	108.6	M362 L363 V364 S365 T382 L386 I413 F479 L483	M362-V384 HydrophobicContact CG-CG2 3.79Å; M362-V384 HydrophobicContact SD-CG2 3.7Å; L363-V384 PolarHBondContact O-N 2.81Å; V364-V384 WeakPolarHBondContact CA-O 3.44Å; V364-V384 HydrophobicContact CB-CB 4.38Å; V364-V384 HydrophobicContact CG1-CB 4.26Å; V364-V384 HydrophobicContact CG1-CG1 4.34Å; V364-V384 HydrophobicContact CG2-CB 4.04Å; V364-V384 HydrophobicContact CG2-CG2 4.21Å; S365-V384 PolarHBondContact N-O 3.44Å; T382-V384 HydrophobicContact CG2-CG2 3.88Å; V384-L386 HydrophobicContact CG1-CD1 4.19Å; V384-I413 CarbonylContact C-O 3.51Å; V384-I413 VanDerWaalsContact CA-O 3.31Å; V384-I413 WeakPolarHBondContact CA-O 3.49Å; V384-F479 HydrophobicContact CG1-CE2 3.83Å; V384-F479 HydrophobicContact CG1-CZ 4.17Å; V384-L483 HydrophobicContact CG1-CD1 4.2Å; V384-L483 HydrophobicContact CG2-CD1 3.51Å
385	E	98.8	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.8	-177.1	-177.2	168.9	-163	0	0	111.3	H367 L371 F387 Y399 Y412 I413 F414 W415	H367-E385 HydrophobicContact CB-CG 4.36Å; H367-E385 IonicContact CE1-OE1 3.08Å; H367-E385 IonicContact CG-OE1 3.73Å; H367-E385 IonicContact ND1-OE1 3.94Å; H367-E385 PolarHBondContact ND1-OE1 3.39Å; L371-E385 HydrophobicContact CD1-CB 4.14Å; L371-E385 HydrophobicContact CD1-CG 3.59Å; E385-F387 HydrophobicContact CB-CE2 4.13Å; E385-F387 HydrophobicContact CG-CD2 4.1Å; E385-F387 HydrophobicContact CG-CE2 3.46Å; E385-F387 VanDerWaalsContact CG-CE2 3.46Å; E385-F387 HydrophobicContact CG-CZ 3.81Å; E385-F387 WeakPolarHBondContact OE1-CZ 3.26Å; E385-Y399 VanDerWaalsContact OE1-CD2 3.31Å; E385-Y399 WeakPolarHBondContact OE1-CD2 3.41Å; E385-Y412 HydrophobicContact CB-CE2 3.95Å; E385-Y412 WeakPolarHBondContact OE2-CE2 3.47Å; E385-Y412 VanDerWaalsContact OE2-CZ 3.23Å; E385-Y412 PolarHBondContact OE2-OH 3.27Å; E385-I413 PolarHBondContact N-O 2.7Å; E385-F414 CarbonylContact O-C 3.47Å; E385-F414 WeakPolarHBondContact O-CA 3.46Å; E385-W415 PolarHBondContact O-N 2.9Å
386	L	98.8	Very high	96.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.2	179.2	-71.3	75.5	0	0	0	110.4	I322 V364 S365 M366 H367 V384 W415 V474 F479	I322-L386 HydrophobicContact CD1-CD2 4.44Å; V364-L386 HydrophobicContact CG1-CD1 3.5Å; S365-L386 PolarHBondContact O-N 3.43Å; M366-L386 CarbonylContact C-O 3.59Å; M366-L386 WeakPolarHBondContact CA-O 3.31Å; M366-L386 HydrophobicContact SD-CB 3.38Å; M366-L386 WeakPolarHBondContact SD-CB 3.48Å; M366-L386 HydrophobicContact SD-CD2 4.08Å; M366-L386 HydrophobicContact SD-CG 4.38Å; H367-L386 PolarHBondContact N-O 3Å; V384-L386 HydrophobicContact CG1-CD1 4.19Å; L386-W415 CarbonylContact C-O 3.54Å; L386-W415 WeakPolarHBondContact CA-O 3.26Å; L386-W415 HydrophobicContact CB-CE3 4.18Å; L386-W415 HydrophobicContact CD2-CE3 4.07Å; L386-W415 HydrophobicContact CD2-CZ3 4.44Å; L386-W415 HydrophobicContact CG-CE3 4.01Å; L386-V474 HydrophobicContact CD2-CG1 4.31Å; L386-V474 HydrophobicContact CD2-CG2 3.71Å; L386-F479 HydrophobicContact CD1-CE2 3.98Å; L386-F479 HydrophobicContact CD2-CD2 4.35Å; L386-F479 HydrophobicContact CD2-CE2 4.26Å; L386-F479 HydrophobicContact CG-CD2 4.48Å; L386-F479 HydrophobicContact CG-CE2 4.22Å
387	F	98.6	Very high	96.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.8	179.6	-71.4	-91.7	0	0	0	111.1	H367 E385 V391 P393 F414 W415 R416 N417	H367-F387 HydrophobicContact CB-CD1 3.96Å; H367-F387 HydrophobicContact CB-CE1 4Å; H367-F387 AromaticContact CE1-CE1 3.99Å; H367-F387 AromaticContact CG-CE1 3.74Å; H367-F387 AromaticContact ND1-CE1 3.23Å; H367-F387 WeakPolarHBondContact ND1-CE1 3.43Å; H367-F387 AromaticContact ND1-CZ 3.67Å; E385-F387 HydrophobicContact CB-CE2 4.13Å; E385-F387 HydrophobicContact CG-CD2 4.1Å; E385-F387 HydrophobicContact CG-CE2 3.46Å; E385-F387 VanDerWaalsContact CG-CE2 3.46Å; E385-F387 HydrophobicContact CG-CZ 3.81Å; E385-F387 WeakPolarHBondContact OE1-CZ 3.26Å; F387-V391 HydrophobicContact CD1-CB 4.42Å; F387-V391 HydrophobicContact CD1-CG1 3.61Å; F387-V391 HydrophobicContact CE1-CG1 4.32Å; F387-P393 HydrophobicContact CD1-CB 4.49Å; F387-P393 HydrophobicContact CD2-CB 3.67Å; F387-P393 HydrophobicContact CE1-CB 4.36Å; F387-P393 HydrophobicContact CE2-CB 3.53Å; F387-P393 HydrophobicContact CG-CB 4.14Å; F387-P393 HydrophobicContact CZ-CB 3.89Å; F387-F414 HydrophobicContact CD2-CB 4.19Å; F387-F414 HydrophobicContact CE2-CB 3.88Å; F387-W415 PolarHBondContact N-O 3.42Å; F387-R416 HydrophobicContact CB-CB 4.26Å; F387-R416 HydrophobicContact CB-CG 4.39Å; F387-N417 PolarHBondContact O-N 2.56Å
388	P	98.1	Very high	96.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.			trans	-60.3	171.9	170.7	-21.4	32.4	0	0	0	112.9	M366 V391 R467 I468 Q470	M366-P388 HydrophobicContact CE-CB 4.48Å; M366-P388 HydrophobicContact CE-CG 3.69Å; P388-V391 HydrophobicContact CB-CG2 4.29Å; P388-V391 PolarHBondContact O-N 3.03Å; P388-R467 WeakPolarHBondContact CB-O 3.41Å; P388-I468 HydrophobicContact CG-CD1 4.35Å; P388-Q470 HydrophobicContact CB-CB 4.42Å
389	F	98.1	Very high	96.5	Very high	16 Å²	16	16.8 Å²	16.8	7%	0.07	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	149.7	175.8	-178.8	-98.2	0	0	0	111.6	V391 N417 E420 T423 T451	F389-V391 PolarHBondContact O-N 2.87Å; F389-N417 WeakPolarHBondContact CA-O 3.44Å; F389-E420 HydrophobicContact CD2-CB 4.45Å; F389-E420 HydrophobicContact CE1-CB 4.18Å; F389-E420 HydrophobicContact CE1-CG 4.13Å; F389-E420 HydrophobicContact CE2-CB 3.99Å; F389-E420 HydrophobicContact CZ-CB 3.84Å; F389-E420 HydrophobicContact CZ-CG 4.27Å; F389-T423 HydrophobicContact CB-CG2 4.22Å; F389-T423 VanDerWaalsContact CB-OG1 3.28Å; F389-T423 WeakPolarHBondContact CB-OG1 3.49Å; F389-T451 HydrophobicContact CZ-CG2 4.22Å
390	A	97.1	Very high	96.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-6.4	-175.5	0	0	0	0	0	117	R416 T451 D452 V453 R467	A390-R416 VanDerWaalsContact CA-NH2 3.29Å; A390-T451 WeakPolarHBondContact CA-O 3.31Å; A390-T451 WeakPolarHBondContact CB-O 3.18Å; A390-D452 WeakPolarHBondContact O-CA 3.34Å; A390-V453 PolarHBondContact O-N 2.61Å; A390-R467 HydrophobicContact CB-CB 4.46Å; A390-R467 HydrophobicContact CB-CG 3.89Å
391	V	97.2	Very high	96.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.			trans	-86.2	122.8	177.8	179.8	0	0	0	0	110.8	F387 P388 F389 P393 Y396 R416 W464 R467 I468	F387-V391 HydrophobicContact CD1-CB 4.42Å; F387-V391 HydrophobicContact CD1-CG1 3.61Å; F387-V391 HydrophobicContact CE1-CG1 4.32Å; P388-V391 HydrophobicContact CB-CG2 4.29Å; P388-V391 PolarHBondContact O-N 3.03Å; F389-V391 PolarHBondContact O-N 2.87Å; V391-P393 WeakPolarHBondContact O-CD 3.5Å; V391-Y396 HydrophobicContact CG1-CD2 3.69Å; V391-Y396 HydrophobicContact CG1-CE2 4.06Å; V391-R416 VanDerWaalsContact O-CD 3.27Å; V391-R416 WeakPolarHBondContact O-CD 3.33Å; V391-R416 PolarHBondContact O-NE 3.33Å; V391-W464 HydrophobicContact CG1-CH2 4.34Å; V391-W464 HydrophobicContact CG1-CZ3 3.82Å; V391-W464 HydrophobicContact CG2-CZ3 4.25Å; V391-R467 HydrophobicContact CG2-CB 4.13Å; V391-I468 HydrophobicContact CG1-CD1 4.06Å; V391-I468 HydrophobicContact CG2-CD1 3.89Å
392	N	95.4	Very high	97	Very high	33 Å²	33	13.6 Å²	13.6	18%	0.176	7%	0.066	C	C	.	.			trans	-88.2	112.3	-176	-169.3	-31.3	0	0	0	112.7	E394 Q395 Y396	N392-E394 PolarHBondContact O-N 3.01Å; N392-E394 VanDerWaalsContact O-N 3.11Å; N392-E394 PolarHBondContact OD1-N 3.47Å; N392-Q395 HydrophobicContact CB-CB 4.39Å; N392-Q395 HydrophobicContact CB-CG 3.98Å; N392-Q395 PolarHBondContact ND2-NE2 3.31Å; N392-Q395 VanDerWaalsContact ND2-NE2 3.18Å; N392-Q395 PolarHBondContact O-N 2.92Å; N392-Y396 WeakPolarHBondContact O-CD2 3.49Å; N392-Y396 PolarHBondContact O-N 3.18Å
393	P	95.6	Very high	97	Very high	7 Å²	7	13.7 Å²	13.7	5%	0.045	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.5	-176.6	26.2	-35.7	0	0	0	114.2	F387 V391 T397 F414	F387-P393 HydrophobicContact CD1-CB 4.49Å; F387-P393 HydrophobicContact CD2-CB 3.67Å; F387-P393 HydrophobicContact CE1-CB 4.36Å; F387-P393 HydrophobicContact CE2-CB 3.53Å; F387-P393 HydrophobicContact CG-CB 4.14Å; F387-P393 HydrophobicContact CZ-CB 3.89Å; V391-P393 WeakPolarHBondContact O-CD 3.5Å; P393-T397 WeakPolarHBondContact O-CG2 3.3Å; P393-F414 HydrophobicContact CB-CB 4.3Å; P393-F414 HydrophobicContact CB-CD1 4.42Å; P393-F414 HydrophobicContact CB-CD2 3.58Å; P393-F414 HydrophobicContact CB-CE2 3.95Å; P393-F414 HydrophobicContact CB-CG 3.85Å; P393-F414 HydrophobicContact CB-CZ 4.48Å; P393-F414 HydrophobicContact CG-CD2 3.51Å; P393-F414 HydrophobicContact CG-CE2 3.41Å; P393-F414 VanDerWaalsContact CG-CE2 3.41Å; P393-F414 HydrophobicContact CG-CG 4.25Å; P393-F414 HydrophobicContact CG-CZ 4.06Å
394	E	93.6	Very high	96.8	Very high	104 Å²	104	18.2 Å²	18.2	49%	0.486	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.9	177.3	-64.4	-59.9	153	0	0	113.1	N392 K400	N392-E394 PolarHBondContact O-N 3.01Å; N392-E394 VanDerWaalsContact O-N 3.11Å; N392-E394 PolarHBondContact OD1-N 3.47Å; E394-K400 IonicContact OE1-NZ 2.74Å; E394-K400 PolarHBondContact OE1-NZ 3.34Å; E394-K400 IonicContact OE2-NZ 3.78Å; E394-K400 PolarHBondContact OE2-NZ 3.39Å
395	Q	91.1	Very high	96.6	Very high	31 Å²	31	18.6 Å²	18.6	15%	0.145	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-36.3	-180	-59.1	-176.2	32.9	0	0	112.1	Y251 N392 R455	Y251-Q395 PolarHBondContact OH-O 2.6Å; N392-Q395 HydrophobicContact CB-CB 4.39Å; N392-Q395 HydrophobicContact CB-CG 3.98Å; N392-Q395 PolarHBondContact ND2-NE2 3.31Å; N392-Q395 VanDerWaalsContact ND2-NE2 3.18Å; N392-Q395 PolarHBondContact O-N 2.92Å; Q395-R455 VanDerWaalsContact OE1-CG 3.3Å
396	Y	93.6	Very high	96.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	13%	0.127	C	C	.	.			trans	-107.7	77	-175.1	-49.6	-79.9	0	0	0	110.5	Q259 V391 N392 P398 H456 W464	Q259-Y396 HydrophobicContact CG-CD1 3.99Å; Q259-Y396 HydrophobicContact CG-CE1 4.06Å; Q259-Y396 VanDerWaalsContact NE2-CE1 3.27Å; V391-Y396 HydrophobicContact CG1-CD2 3.69Å; V391-Y396 HydrophobicContact CG1-CE2 4.06Å; N392-Y396 WeakPolarHBondContact O-CD2 3.49Å; N392-Y396 PolarHBondContact O-N 3.18Å; Y396-P398 WeakPolarHBondContact O-CD 3.49Å; Y396-H456 AromaticContact CE1-CE1 3.77Å; Y396-H456 AromaticContact CZ-CE1 3.79Å; Y396-H456 PolarHBondContact OH-CE1 2.63Å; Y396-H456 PolarHBondContact OH-ND1 3.49Å; Y396-W464 HydrophobicContact CD1-CE3 4.35Å; Y396-W464 AromaticContact CD1-CH2 3.38Å; Y396-W464 HydrophobicContact CD1-CH2 3.38Å; Y396-W464 AromaticContact CD1-CZ2 3.99Å; Y396-W464 HydrophobicContact CD1-CZ2 3.99Å; Y396-W464 AromaticContact CD1-CZ3 3.6Å; Y396-W464 HydrophobicContact CD1-CZ3 3.6Å; Y396-W464 AromaticContact CD2-CH2 3.97Å; Y396-W464 HydrophobicContact CD2-CH2 3.97Å; Y396-W464 AromaticContact CD2-CZ3 3.65Å; Y396-W464 HydrophobicContact CD2-CZ3 3.65Å; Y396-W464 HydrophobicContact CE1-CD2 4.19Å; Y396-W464 AromaticContact CE1-CE3 3.68Å; Y396-W464 HydrophobicContact CE1-CE3 3.68Å; Y396-W464 AromaticContact CE1-CH2 3.58Å; Y396-W464 HydrophobicContact CE1-CH2 3.58Å; Y396-W464 HydrophobicContact CE1-CZ2 4.11Å; Y396-W464 AromaticContact CE1-CZ3 3.36Å; Y396-W464 HydrophobicContact CE1-CZ3 3.36Å; Y396-W464 HydrophobicContact CE2-CE3 4.06Å; Y396-W464 HydrophobicContact CE2-CH2 4.18Å; Y396-W464 AromaticContact CE2-CZ3 3.44Å; Y396-W464 HydrophobicContact CE2-CZ3 3.44Å; Y396-W464 VanDerWaalsContact CE2-CZ3 3.44Å; Y396-W464 AromaticContact CG-CH2 3.61Å; Y396-W464 HydrophobicContact CG-CH2 3.61Å; Y396-W464 AromaticContact CG-CZ3 3.77Å; Y396-W464 HydrophobicContact CG-CZ3 3.77Å; Y396-W464 AromaticContact CZ-CE3 3.55Å; Y396-W464 AromaticContact CZ-CZ3 3.3Å
397	T	96.1	Very high	95.6	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.055	14%	0.136	C	C	.	.			trans	-111	26	-163.5	49.7	0	0	0	0	117.3	Y251 P393 Y399 K400 T401	Y251-T397 PolarHBondContact OH-N 3.46Å; P393-T397 WeakPolarHBondContact O-CG2 3.3Å; T397-Y399 VanDerWaalsContact C-N 3.27Å; T397-Y399 PolarHBondContact O-N 3.07Å; T397-K400 HydrophobicContact CG2-CB 4.34Å; T397-K400 HydrophobicContact CG2-CD 3.94Å; T397-K400 PolarHBondContact O-N 2.91Å; T397-T401 WeakPolarHBondContact O-CB 3.42Å; T397-T401 PolarHBondContact O-N 2.99Å; T397-T401 PolarHBondContact O-OG1 2.85Å
398	P	97.3	Very high	95.4	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.058	14%	0.136	C	C	.	.	H	α-helix	trans	-59.4	-36.7	-174.4	25.4	-33.1	0	0	0	113.2	M173 W250 Y251 Y396 L402	M173-P398 HydrophobicContact CE-CB 3.7Å; W250-P398 PolarHBondContact NE1-O 3.07Å; Y251-P398 HydrophobicContact CD1-CB 3.97Å; Y251-P398 VanDerWaalsContact CD2-CA 3.49Å; Y251-P398 HydrophobicContact CD2-CB 3.87Å; Y251-P398 HydrophobicContact CE1-CB 4.2Å; Y251-P398 HydrophobicContact CE1-CG 4.42Å; Y251-P398 HydrophobicContact CE2-CB 4.12Å; Y251-P398 HydrophobicContact CG-CB 3.79Å; Y396-P398 WeakPolarHBondContact O-CD 3.49Å; P398-L402 WeakPolarHBondContact O-CB 3.48Å; P398-L402 PolarHBondContact O-N 2.87Å
399	Y	98.4	Very high	95.2	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.027	15%	0.15	C	C	.	.	H	α-helix	trans	-84.9	-32.5	-178.6	-48.7	-60.1	0	0	0	113	M173 G368 A369 L371 I372 E385 T397 T401 L402 A403	M173-Y399 HydrophobicContact CG-CE1 4.18Å; G368-Y399 VanDerWaalsContact C-OH 3.3Å; G368-Y399 WeakPolarHBondContact O-CE2 3.41Å; G368-Y399 VanDerWaalsContact O-CZ 3.29Å; G368-Y399 PolarHBondContact O-OH 2.72Å; A369-Y399 WeakPolarHBondContact CA-OH 3.31Å; A369-Y399 PolarHBondContact O-OH 2.86Å; L371-Y399 VanDerWaalsContact C-CE1 3.43Å; L371-Y399 HydrophobicContact CB-CD1 3.72Å; L371-Y399 HydrophobicContact CB-CD2 3.55Å; L371-Y399 HydrophobicContact CB-CE1 3.71Å; L371-Y399 HydrophobicContact CB-CE2 3.5Å; L371-Y399 VanDerWaalsContact CB-CE2 3.5Å; L371-Y399 HydrophobicContact CB-CG 3.65Å; L371-Y399 HydrophobicContact CD1-CD2 3.73Å; L371-Y399 HydrophobicContact CD1-CE2 3.99Å; L371-Y399 HydrophobicContact CD1-CG 4.38Å; L371-Y399 HydrophobicContact CG-CD2 4.29Å; L371-Y399 HydrophobicContact CG-CE2 4.39Å; I372-Y399 HydrophobicContact CB-CE1 4.12Å; I372-Y399 HydrophobicContact CD1-CE1 4.47Å; E385-Y399 VanDerWaalsContact OE1-CD2 3.31Å; E385-Y399 WeakPolarHBondContact OE1-CD2 3.41Å; T397-Y399 VanDerWaalsContact C-N 3.27Å; T397-Y399 PolarHBondContact O-N 3.07Å; Y399-T401 VanDerWaalsContact C-N 3.33Å; Y399-L402 PolarHBondContact O-N 2.75Å; Y399-A403 VanDerWaalsContact O-CB 3.31Å; Y399-A403 WeakPolarHBondContact O-CB 3.38Å; Y399-A403 PolarHBondContact O-N 3.34Å
400	K	98.1	Very high	95.1	Very high	54 Å²	54	26.9 Å²	26.9	24%	0.235	15%	0.152	C	C	.	.	H	α-helix	trans	-58.3	-48.2	166.8	-175.4	176.2	-179	174.7	0	110	E394 T397 A403 T404 Y412	E394-K400 IonicContact OE1-NZ 2.74Å; E394-K400 PolarHBondContact OE1-NZ 3.34Å; E394-K400 IonicContact OE2-NZ 3.78Å; E394-K400 PolarHBondContact OE2-NZ 3.39Å; T397-K400 HydrophobicContact CG2-CB 4.34Å; T397-K400 HydrophobicContact CG2-CD 3.94Å; T397-K400 PolarHBondContact O-N 2.91Å; K400-A403 PolarHBondContact O-N 2.74Å; K400-T404 WeakPolarHBondContact O-CB 3.11Å; K400-T404 VanDerWaalsContact O-CG2 3.24Å; K400-T404 WeakPolarHBondContact O-CG2 3.43Å; K400-T404 PolarHBondContact O-N 3.48Å; K400-T404 PolarHBondContact O-OG1 3.46Å; K400-Y412 HydrophobicContact CB-CD1 3.99Å; K400-Y412 HydrophobicContact CB-CD2 4.31Å; K400-Y412 HydrophobicContact CB-CE1 3.65Å; K400-Y412 HydrophobicContact CB-CE2 4.01Å; K400-Y412 HydrophobicContact CB-CG 4.3Å; K400-Y412 HydrophobicContact CD-CD1 4.28Å; K400-Y412 HydrophobicContact CD-CE1 3.92Å; K400-Y412 HydrophobicContact CG-CD1 3.76Å; K400-Y412 HydrophobicContact CG-CE1 3.72Å; K400-Y412 HydrophobicContact CG-CG 4.33Å
401	T	97.9	Very high	95.2	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.067	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-51.3	176.5	-55.5	0	0	0	0	111	W250 P261 I265 T397 Y399 A403 T404 L405	W250-T401 HydrophobicContact CB-CG2 4.13Å; W250-T401 HydrophobicContact CG-CG2 4.14Å; P261-T401 HydrophobicContact CB-CG2 4.2Å; P261-T401 WeakPolarHBondContact CG-OG1 3.25Å; I265-T401 HydrophobicContact CD1-CG2 3.66Å; T397-T401 WeakPolarHBondContact O-CB 3.42Å; T397-T401 PolarHBondContact O-N 2.99Å; T397-T401 PolarHBondContact O-OG1 2.85Å; Y399-T401 VanDerWaalsContact C-N 3.33Å; T401-A403 PolarHBondContact O-N 3.27Å; T401-T404 PolarHBondContact O-N 3.01Å; T401-T404 VanDerWaalsContact O-N 3.17Å; T401-T404 PolarHBondContact O-OG1 3.44Å; T401-L405 WeakPolarHBondContact O-CG 3.42Å; T401-L405 PolarHBondContact O-N 3.12Å; T401-L405 VanDerWaalsContact O-N 3.1Å
402	L	98.2	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-52.2	-53.5	175.6	172.2	59.8	0	0	0	112.1	W250 I272 I372 S374 M375 P398 Y399 T404 L405 M408	W250-L402 HydrophobicContact CH2-CD1 4.16Å; W250-L402 HydrophobicContact CZ2-CB 4.02Å; W250-L402 HydrophobicContact CZ2-CD1 4.05Å; W250-L402 HydrophobicContact CZ2-CD2 4.16Å; W250-L402 HydrophobicContact CZ2-CG 4.3Å; I272-L402 HydrophobicContact CG1-CD1 4.36Å; I272-L402 HydrophobicContact CG2-CD1 3.98Å; I372-L402 HydrophobicContact CD1-CD2 4.27Å; S374-L402 WeakPolarHBondContact OG-CD2 3.33Å; M375-L402 HydrophobicContact CB-CD2 4.33Å; P398-L402 WeakPolarHBondContact O-CB 3.48Å; P398-L402 PolarHBondContact O-N 2.87Å; Y399-L402 PolarHBondContact O-N 2.75Å; L402-T404 PolarHBondContact O-N 2.99Å; L402-L405 HydrophobicContact CD1-CD1 4.14Å; L402-L405 WeakPolarHBondContact O-CB 3.34Å; L402-L405 WeakPolarHBondContact O-CG 3.39Å; L402-L405 PolarHBondContact O-N 2.79Å; L402-M408 HydrophobicContact CD1-CE 4.41Å; L402-M408 HydrophobicContact CD1-CG 4.33Å; L402-M408 WeakPolarHBondContact O-CG 3.38Å
403	A	97.5	Very high	95.4	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.025	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-31	-177.8	0	0	0	0	0	113.1	Y399 K400 T401 L410 Y412	Y399-A403 VanDerWaalsContact O-CB 3.31Å; Y399-A403 WeakPolarHBondContact O-CB 3.38Å; Y399-A403 PolarHBondContact O-N 3.34Å; K400-A403 PolarHBondContact O-N 2.74Å; T401-A403 PolarHBondContact O-N 3.27Å; A403-L410 HydrophobicContact CB-CB 3.9Å; A403-L410 HydrophobicContact CB-CD1 4.46Å; A403-Y412 HydrophobicContact CB-CD2 4.3Å; A403-Y412 HydrophobicContact CB-CG 4.45Å
404	T	94.7	Very high	95.5	Very high	95 Å²	95	31.1 Å²	31.1	58%	0.583	17%	0.168	S	C	*	.	H	α-helix	trans	-90.3	-2.9	-179.4	61.3	0	0	0	0	114.7	K400 T401 L402	K400-T404 WeakPolarHBondContact O-CB 3.11Å; K400-T404 VanDerWaalsContact O-CG2 3.24Å; K400-T404 WeakPolarHBondContact O-CG2 3.43Å; K400-T404 PolarHBondContact O-N 3.48Å; K400-T404 PolarHBondContact O-OG1 3.46Å; T401-T404 PolarHBondContact O-N 3.01Å; T401-T404 VanDerWaalsContact O-N 3.17Å; T401-T404 PolarHBondContact O-OG1 3.44Å; L402-T404 PolarHBondContact O-N 2.99Å
405	L	93.9	Very high	95.7	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.052	15%	0.145	C	C	.	.	S	Bend	trans	-57.6	136.4	175.1	-69.2	177.7	0	0	0	110.2	W250 I265 V267 I272 T401 L402 G407 M408	W250-L405 HydrophobicContact CB-CD2 4.45Å; I265-L405 HydrophobicContact CG2-CD2 3.73Å; V267-L405 HydrophobicContact CG1-CD1 4.08Å; V267-L405 HydrophobicContact CG1-CD2 4.43Å; I272-L405 HydrophobicContact CG1-CD1 4Å; T401-L405 WeakPolarHBondContact O-CG 3.42Å; T401-L405 PolarHBondContact O-N 3.12Å; T401-L405 VanDerWaalsContact O-N 3.1Å; L402-L405 HydrophobicContact CD1-CD1 4.14Å; L402-L405 WeakPolarHBondContact O-CB 3.34Å; L402-L405 WeakPolarHBondContact O-CG 3.39Å; L402-L405 PolarHBondContact O-N 2.79Å; L405-G407 PolarHBondContact O-N 2.8Å; L405-G407 VanDerWaalsContact O-N 3.15Å; L405-M408 HydrophobicContact CB-CB 4.41Å; L405-M408 HydrophobicContact CB-CG 3.92Å; L405-M408 WeakPolarHBondContact O-CB 3.18Å; L405-M408 PolarHBondContact O-N 3.44Å
406	P	90.1	Very high	96.1	Very high	97 Å²	97	27.9 Å²	27.9	63%	0.63	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	122	178.8	-26.8	34.8	0	0	0	111.9	S268 G269	S268-P406 WeakPolarHBondContact CB-O 3.46Å; G269-P406 PolarHBondContact N-O 3.48Å
407	G	87.6	Confident	96.3	Very high	19 Å²	19	27.9 Å²	27.9	20%	0.196	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-1.1	-178.2	0	0	0	0	0	115.6	L405	L405-G407 PolarHBondContact O-N 2.8Å; L405-G407 VanDerWaalsContact O-N 3.15Å
408	M	94.3	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-36.6	166.5	-86.3	-43.9	-74.3	0	0	110.7	G269 I272 R273 L402 L405 L410	G269-M408 WeakPolarHBondContact CA-SD 3.35Å; G269-M408 VanDerWaalsContact O-SD 3.36Å; I272-M408 HydrophobicContact CB-SD 3.7Å; I272-M408 HydrophobicContact CG1-SD 4.45Å; I272-M408 HydrophobicContact CG2-CE 4.05Å; I272-M408 HydrophobicContact CG2-SD 3.76Å; R273-M408 HydrophobicContact CG-CE 4.19Å; R273-M408 HydrophobicContact CG-SD 3.77Å; R273-M408 VanDerWaalsContact CZ-O 3.22Å; R273-M408 PolarHBondContact NE-O 3.48Å; R273-M408 PolarHBondContact NH2-O 3.27Å; L402-M408 HydrophobicContact CD1-CE 4.41Å; L402-M408 HydrophobicContact CD1-CG 4.33Å; L402-M408 WeakPolarHBondContact O-CG 3.38Å; L405-M408 HydrophobicContact CB-CB 4.41Å; L405-M408 HydrophobicContact CB-CG 3.92Å; L405-M408 WeakPolarHBondContact O-CB 3.18Å; L405-M408 PolarHBondContact O-N 3.44Å; M408-L410 HydrophobicContact CE-CD1 3.94Å; M408-L410 HydrophobicContact CE-CG 4.41Å; M408-L410 PolarHBondContact O-N 3.14Å
409	D	94.5	Very high	96.3	Very high	56 Å²	56	34.7 Å²	34.7	30%	0.299	19%	0.189	S	C	.	.			trans	53.5	38.1	175.9	-48.3	-44.7	0	0	0	113.1	R379 G380 L493	R379-D409 HydrophobicContact CB-CB 4.27Å; R379-D409 WeakPolarHBondContact CD-OD2 3.39Å; R379-D409 HydrophobicContact CG-CB 4.11Å; R379-D409 IonicContact CZ-OD2 2.74Å; R379-D409 IonicContact NE-OD2 2.65Å; R379-D409 PolarHBondContact NE-OD2 3.48Å; R379-D409 IonicContact NH2-OD2 2.69Å; G380-D409 WeakPolarHBondContact CA-O 3.5Å; G380-D409 PolarHBondContact N-O 2.95Å; D409-L493 HydrophobicContact CB-CD2 4.26Å
410	L	96.2	Very high	96.2	Very high	18 Å²	18	39.1 Å²	39.1	9%	0.094	21%	0.21	C	C	.	.			trans	-99.4	145.7	172.5	-63.5	179.8	0	0	0	109.7	S374 L377 P378 A381 V383 A403 M408	S374-L410 WeakPolarHBondContact O-CD1 3.31Å; L377-L410 HydrophobicContact CB-CD2 3.82Å; P378-L410 WeakPolarHBondContact O-CD2 3.34Å; A381-L410 HydrophobicContact CB-CD2 4.15Å; V383-L410 HydrophobicContact CG2-CD1 4.17Å; A403-L410 HydrophobicContact CB-CB 3.9Å; A403-L410 HydrophobicContact CB-CD1 4.46Å; M408-L410 HydrophobicContact CE-CD1 3.94Å; M408-L410 HydrophobicContact CE-CG 4.41Å; M408-L410 PolarHBondContact O-N 3.14Å
411	H	97.6	Very high	96.2	Very high	18 Å²	18	43.5 Å²	43.5	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.6	170.7	-169.1	57	0	0	0	109.4	A381 T382 V383 G486 S489 K490	A381-H411 PolarHBondContact O-N 2.94Å; T382-H411 CarbonylContact C-O 3.59Å; T382-H411 VanDerWaalsContact CA-O 3.27Å; T382-H411 WeakPolarHBondContact CA-O 3.47Å; T382-H411 HydrophobicContact CG2-CB 4.43Å; V383-H411 PolarHBondContact N-O 3Å; H411-G486 PolarHBondContact NE2-O 3.36Å; H411-S489 PolarHBondContact CE1-OG 3.4Å; H411-K490 HydrophobicContact CB-CG 4.18Å
412	Y	98.2	Very high	96.2	Very high	31 Å²	31	44 Å²	44	12%	0.122	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.1	-177.1	178.5	-90.7	0	0	0	111.1	V383 E385 K400 A403 F414	V383-Y412 HydrophobicContact CB-CD2 4.3Å; V383-Y412 HydrophobicContact CG1-CD2 4.32Å; E385-Y412 HydrophobicContact CB-CE2 3.95Å; E385-Y412 WeakPolarHBondContact OE2-CE2 3.47Å; E385-Y412 VanDerWaalsContact OE2-CZ 3.23Å; E385-Y412 PolarHBondContact OE2-OH 3.27Å; K400-Y412 HydrophobicContact CB-CD1 3.99Å; K400-Y412 HydrophobicContact CB-CD2 4.31Å; K400-Y412 HydrophobicContact CB-CE1 3.65Å; K400-Y412 HydrophobicContact CB-CE2 4.01Å; K400-Y412 HydrophobicContact CB-CG 4.3Å; K400-Y412 HydrophobicContact CD-CD1 4.28Å; K400-Y412 HydrophobicContact CD-CE1 3.92Å; K400-Y412 HydrophobicContact CG-CD1 3.76Å; K400-Y412 HydrophobicContact CG-CE1 3.72Å; K400-Y412 HydrophobicContact CG-CG 4.33Å; A403-Y412 HydrophobicContact CB-CD2 4.3Å; A403-Y412 HydrophobicContact CB-CG 4.45Å; Y412-F414 HydrophobicContact CE1-CB 4.05Å; Y412-F414 HydrophobicContact CE1-CD1 4.01Å
413	I	98.5	Very high	96.2	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.046	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.6	175.8	-59.6	174	0	0	0	107.5	T382 V383 V384 E385 V482 L483 M487	T382-I413 HydrophobicContact CG2-CD1 3.8Å; T382-I413 HydrophobicContact CG2-CG1 4.2Å; V383-I413 PolarHBondContact O-N 2.78Å; V384-I413 CarbonylContact C-O 3.51Å; V384-I413 VanDerWaalsContact CA-O 3.31Å; V384-I413 WeakPolarHBondContact CA-O 3.49Å; E385-I413 PolarHBondContact N-O 2.7Å; I413-V482 HydrophobicContact CG2-CG1 4.08Å; I413-L483 HydrophobicContact CD1-CD1 3.71Å; I413-L483 HydrophobicContact CG2-CD1 4.4Å; I413-M487 HydrophobicContact CD1-CG 4.15Å; I413-M487 HydrophobicContact CD1-SD 4.17Å
414	F	98.3	Very high	96.2	Very high	70 Å²	70	48 Å²	48	31%	0.307	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.3	170.7	69	-94.9	0	0	0	111	E385 F387 P393 Y412 V482	E385-F414 CarbonylContact O-C 3.47Å; E385-F414 WeakPolarHBondContact O-CA 3.46Å; F387-F414 HydrophobicContact CD2-CB 4.19Å; F387-F414 HydrophobicContact CE2-CB 3.88Å; P393-F414 HydrophobicContact CB-CB 4.3Å; P393-F414 HydrophobicContact CB-CD1 4.42Å; P393-F414 HydrophobicContact CB-CD2 3.58Å; P393-F414 HydrophobicContact CB-CE2 3.95Å; P393-F414 HydrophobicContact CB-CG 3.85Å; P393-F414 HydrophobicContact CB-CZ 4.48Å; P393-F414 HydrophobicContact CG-CD2 3.51Å; P393-F414 HydrophobicContact CG-CE2 3.41Å; P393-F414 VanDerWaalsContact CG-CE2 3.41Å; P393-F414 HydrophobicContact CG-CG 4.25Å; P393-F414 HydrophobicContact CG-CZ 4.06Å; Y412-F414 HydrophobicContact CE1-CB 4.05Å; Y412-F414 HydrophobicContact CE1-CD1 4.01Å; F414-V482 WeakPolarHBondContact O-CG1 3.5Å
415	W	98.6	Very high	96.3	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.9	165.8	177	87.8	0	0	0	108.9	E385 L386 F387 N417 T472 V474 D475 S478 F479 V482	E385-W415 PolarHBondContact O-N 2.9Å; L386-W415 CarbonylContact C-O 3.54Å; L386-W415 WeakPolarHBondContact CA-O 3.26Å; L386-W415 HydrophobicContact CB-CE3 4.18Å; L386-W415 HydrophobicContact CD2-CE3 4.07Å; L386-W415 HydrophobicContact CD2-CZ3 4.44Å; L386-W415 HydrophobicContact CG-CE3 4.01Å; F387-W415 PolarHBondContact N-O 3.42Å; W415-N417 HydrophobicContact CH2-CB 3.65Å; W415-N417 HydrophobicContact CZ3-CB 3.84Å; W415-T472 HydrophobicContact CH2-CG2 4.26Å; W415-T472 HydrophobicContact CZ3-CG2 4.08Å; W415-V474 HydrophobicContact CH2-CB 4.47Å; W415-V474 HydrophobicContact CH2-CG1 4.16Å; W415-V474 HydrophobicContact CZ2-CG1 4.36Å; W415-V474 HydrophobicContact CZ3-CG1 4.32Å; W415-V474 HydrophobicContact CZ3-CG2 4.27Å; W415-D475 HydrophobicContact CZ2-CB 4.22Å; W415-S478 PolarHBondContact NE1-OG 2.86Å; W415-F479 HydrophobicContact CB-CD2 4.03Å; W415-F479 VanDerWaalsContact CD1-CA 3.49Å; W415-F479 HydrophobicContact CD2-CD2 4.31Å; W415-F479 HydrophobicContact CG-CB 4.44Å; W415-F479 AromaticContact CG-CD2 3.94Å; W415-F479 HydrophobicContact CG-CD2 3.94Å; W415-V482 HydrophobicContact CB-CG1 4.45Å
416	R	98.2	Very high	96.4	Very high	63 Å²	63	47.7 Å²	47.7	24%	0.238	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.5	176.7	174.3	-177.7	172.3	166.6	0.3	108.8	F387 A390 V391 S418 T451 D452	F387-R416 HydrophobicContact CB-CB 4.26Å; F387-R416 HydrophobicContact CB-CG 4.39Å; A390-R416 VanDerWaalsContact CA-NH2 3.29Å; V391-R416 VanDerWaalsContact O-CD 3.27Å; V391-R416 WeakPolarHBondContact O-CD 3.33Å; V391-R416 PolarHBondContact O-NE 3.33Å; R416-S418 PolarHBondContact O-N 3.23Å; R416-T451 PolarHBondContact NH2-O 3.29Å; R416-D452 IonicContact CZ-OD2 3.47Å; R416-D452 IonicContact NH1-OD2 2.69Å; R416-D452 PolarHBondContact NH1-OD2 3.45Å; R416-D452 IonicContact NH2-OD2 3.05Å; R416-D452 PolarHBondContact NH2-OD2 2.7Å
417	N	98.3	Very high	96.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.234	C	C	.	.			trans	-67.2	115.5	167.1	-176.8	21.5	0	0	0	109.7	F387 F389 W415 K419 T423 T472	F387-N417 PolarHBondContact O-N 2.56Å; F389-N417 WeakPolarHBondContact CA-O 3.44Å; W415-N417 HydrophobicContact CH2-CB 3.65Å; W415-N417 HydrophobicContact CZ3-CB 3.84Å; N417-K419 PolarHBondContact ND2-O 2.77Å; N417-K419 PolarHBondContact OD1-N 2.91Å; N417-K419 PolarHBondContact OD1-O 3.42Å; N417-T423 PolarHBondContact ND2-OG1 2.91Å; N417-T423 VanDerWaalsContact ND2-OG1 3.14Å; N417-T472 HydrophobicContact CB-CG2 3.89Å
418	S	96.4	Very high	97.1	Very high	87 Å²	87	50.8 Å²	50.8	61%	0.608	26%	0.261	S	S	*	.			trans	-98	-3.5	176.7	64.6	0	0	0	0	113.4	R416	R416-S418 PolarHBondContact O-N 3.23Å
419	K	96.9	Very high	97.2	Very high	74 Å²	74	53.6 Å²	53.6	32%	0.322	27%	0.272	S	S	.	.			trans	-108.6	117	-174.3	-70.9	-177.9	177.8	-178.8	0	110	N417 E421 N422 T423 D475	N417-K419 PolarHBondContact ND2-O 2.77Å; N417-K419 PolarHBondContact OD1-N 2.91Å; N417-K419 PolarHBondContact OD1-O 3.42Å; K419-E421 VanDerWaalsContact C-N 3.29Å; K419-E421 HydrophobicContact CB-CG 4.25Å; K419-E421 PolarHBondContact O-N 3.16Å; K419-N422 HydrophobicContact CB-CB 3.98Å; K419-N422 PolarHBondContact O-N 3.24Å; K419-T423 PolarHBondContact O-OG1 3.47Å; K419-D475 IonicContact NZ-OD2 3.13Å; K419-D475 PolarHBondContact NZ-OD2 3.49Å
420	E	96.5	Very high	97.3	Very high	101 Å²	101	54.8 Å²	54.8	47%	0.472	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-65.4	-37.6	178.5	-172.6	172	-174	0	0	110.8	F389 N422 T423	F389-E420 HydrophobicContact CD2-CB 4.45Å; F389-E420 HydrophobicContact CE1-CB 4.18Å; F389-E420 HydrophobicContact CE1-CG 4.13Å; F389-E420 HydrophobicContact CE2-CB 3.99Å; F389-E420 HydrophobicContact CZ-CB 3.84Å; F389-E420 HydrophobicContact CZ-CG 4.27Å; E420-N422 PolarHBondContact O-N 2.96Å; E420-T423 WeakPolarHBondContact O-CB 3.46Å; E420-T423 PolarHBondContact O-N 3.29Å; E420-T423 PolarHBondContact O-OG1 2.93Å; E420-T423 VanDerWaalsContact O-OG1 3.11Å
421	E	97.4	Very high	97.2	Very high	145 Å²	145	57.7 Å²	57.7	68%	0.678	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-60.1	-18.6	176.9	65.2	-89.7	-153	0	0	114	K419 T423	K419-E421 VanDerWaalsContact C-N 3.29Å; K419-E421 HydrophobicContact CB-CG 4.25Å; K419-E421 PolarHBondContact O-N 3.16Å; E421-T423 VanDerWaalsContact C-N 3.29Å
422	N	98.2	Very high	96.8	Very high	21 Å²	21	61.9 Å²	61.9	11%	0.112	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-92.3	17.9	176.6	-80.9	16.1	0	0	0	112.9	K419 E420 L473	K419-N422 HydrophobicContact CB-CB 3.98Å; K419-N422 PolarHBondContact O-N 3.24Å; E420-N422 PolarHBondContact O-N 2.96Å; N422-L473 HydrophobicContact CB-CB 4.04Å; N422-L473 WeakPolarHBondContact CB-O 3.42Å; N422-L473 PolarHBondContact ND2-O 2.79Å; N422-L473 PolarHBondContact O-N 2.89Å
423	T	97.8	Very high	96.6	Very high	24 Å²	24	64.4 Å²	64.4	15%	0.147	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.8	-172.8	-50.5	0	0	0	0	110.6	F389 N417 K419 E420 E421 T425 Q470	F389-T423 HydrophobicContact CB-CG2 4.22Å; F389-T423 VanDerWaalsContact CB-OG1 3.28Å; F389-T423 WeakPolarHBondContact CB-OG1 3.49Å; N417-T423 PolarHBondContact ND2-OG1 2.91Å; N417-T423 VanDerWaalsContact ND2-OG1 3.14Å; K419-T423 PolarHBondContact O-OG1 3.47Å; E420-T423 WeakPolarHBondContact O-CB 3.46Å; E420-T423 PolarHBondContact O-N 3.29Å; E420-T423 PolarHBondContact O-OG1 2.93Å; E420-T423 VanDerWaalsContact O-OG1 3.11Å; E421-T423 VanDerWaalsContact C-N 3.29Å; T423-T425 HydrophobicContact CG2-CG2 4.05Å; T423-Q470 HydrophobicContact CG2-CB 3.77Å; T423-Q470 VanDerWaalsContact CG2-CD 3.43Å; T423-Q470 HydrophobicContact CG2-CG 4.04Å
424	V	97.9	Very high	96.4	Very high	64 Å²	64	64.2 Å²	64.2	39%	0.388	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.3	170.1	177.1	0	0	0	0	109	L323 D471	L323-V424 HydrophobicContact CD1-CB 4.21Å; L323-V424 HydrophobicContact CD1-CG2 3.55Å; V424-D471 HydrophobicContact CB-CB 4.25Å; V424-D471 PolarHBondContact N-O 2.79Å; V424-D471 PolarHBondContact O-N 2.71Å
425	T	96.7	Very high	96.3	Very high	50 Å²	50	61 Å²	61	31%	0.307	31%	0.311	S	S	.	.			trans	-103.1	159.3	-178.7	67.9	0	0	0	0	111	T423 F466 Q470	T423-T425 HydrophobicContact CG2-CG2 4.05Å; T425-F466 HydrophobicContact CG2-CE1 4.1Å; T425-F466 HydrophobicContact CG2-CE2 4.31Å; T425-F466 HydrophobicContact CG2-CZ 3.62Å; T425-Q470 HydrophobicContact CG2-CG 4.05Å; T425-Q470 VanDerWaalsContact CG2-NE2 3.32Å
426	H	96.7	Very high	96.3	Very high	49 Å²	49	60.8 Å²	60.8	23%	0.227	31%	0.311	C	S	.	.			trans	-133.9	67.4	-173.7	-61.7	-82.8	0	0	0	111.5	D428 R429 D471	H426-D428 PolarHBondContact O-N 3.14Å; H426-D428 VanDerWaalsContact O-N 3.15Å; H426-R429 HydrophobicContact CB-CB 4.43Å; H426-R429 VanDerWaalsContact CB-CD 3.46Å; H426-R429 HydrophobicContact CB-CG 3.78Å; H426-R429 PolarHBondContact CD2-NH1 2.94Å; H426-R429 PolarHBondContact CE1-NH2 2.96Å; H426-R429 PolarHBondContact ND1-NH2 3.39Å; H426-R429 PolarHBondContact NE2-NH2 2.79Å; H426-R429 PolarHBondContact O-N 3.28Å; H426-D471 IonicContact CD2-OD2 2.98Å; H426-D471 IonicContact CE1-OD2 3.15Å; H426-D471 IonicContact NE2-OD2 3.33Å; H426-D471 PolarHBondContact NE2-OD2 3.44Å
427	P	96.4	Very high	96.2	Very high	39 Å²	39	60.5 Å²	60.5	25%	0.253	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.5	-172.3	26.4	-35.4	0	0	0	114.1	G435 I436 A437	P427-G435 CarbonylContact O-C 3.46Å; P427-G435 VanDerWaalsContact O-CA 3.25Å; P427-G435 WeakPolarHBondContact O-CA 2.74Å; P427-I436 HydrophobicContact CB-CD1 4.35Å; P427-I436 HydrophobicContact CB-CG1 3.75Å; P427-I436 PolarHBondContact O-N 3.14Å; P427-A437 PolarHBondContact O-N 2.8Å
428	D	96.3	Very high	96.1	Very high	142 Å²	142	65.8 Å²	65.8	76%	0.759	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-4	-177.2	-56.6	-48.2	0	0	0	114.2	H426	H426-D428 PolarHBondContact O-N 3.14Å; H426-D428 VanDerWaalsContact O-N 3.15Å
429	R	95.5	Very high	96.2	Very high	59 Å²	59	63.5 Å²	63.5	22%	0.223	33%	0.327	C	S	.	.	S	Bend	trans	-66.4	166.9	176.1	-80	-178.4	-173	174.1	-2.2	111.5	H426 Q433 G435	H426-R429 HydrophobicContact CB-CB 4.43Å; H426-R429 VanDerWaalsContact CB-CD 3.46Å; H426-R429 HydrophobicContact CB-CG 3.78Å; H426-R429 PolarHBondContact CD2-NH1 2.94Å; H426-R429 PolarHBondContact CE1-NH2 2.96Å; H426-R429 PolarHBondContact ND1-NH2 3.39Å; H426-R429 PolarHBondContact NE2-NH2 2.79Å; H426-R429 PolarHBondContact O-N 3.28Å; R429-Q433 HydrophobicContact CB-CB 4.24Å; R429-G435 VanDerWaalsContact O-CA 3.29Å; R429-G435 WeakPolarHBondContact O-CA 3.14Å
430	P	96	Very high	96.2	Very high	80 Å²	80	67.5 Å²	67.5	52%	0.519	35%	0.347	S	S	.	.			trans	-55.6	149.5	164.4	-24.2	35	0	0	0	111.4	E432 Q433 G434 G435	P430-E432 PolarHBondContact O-N 2.87Å; P430-Q433 CarbonylContact O-C 3.48Å; P430-Q433 WeakPolarHBondContact O-CA 3.27Å; P430-Q433 PolarHBondContact O-N 3.04Å; P430-G434 PolarHBondContact O-N 3.49Å; P430-G435 PolarHBondContact O-N 3.47Å
431	W	94.1	Very high	96.3	Very high	80 Å²	80	70.7 Å²	70.7	30%	0.303	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-59.5	-34.8	-177	73.3	-91	0	0	0	113	Q433 G434 G435 H438 R460 L465	W431-Q433 PolarHBondContact O-N 3.5Å; W431-Q433 VanDerWaalsContact O-N 3.11Å; W431-G434 PolarHBondContact O-N 2.78Å; W431-G435 WeakPolarHBondContact CA-O 3.49Å; W431-H438 WeakPolarHBondContact CB-CE1 3.39Å; W431-R460 HydrophobicContact CH2-CG 3.76Å; W431-R460 HydrophobicContact CZ3-CB 4.06Å; W431-R460 HydrophobicContact CZ3-CG 3.7Å; W431-L465 HydrophobicContact CE3-CD1 3.8Å; W431-L465 HydrophobicContact CZ3-CD1 3.94Å
432	E	90.6	Very high	96.3	Very high	106 Å²	106	70.1 Å²	70.1	50%	0.495	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-58	-22.8	174.5	-57.4	-82.9	-167.2	0	0	112.6	P430 Y469	P430-E432 PolarHBondContact O-N 2.87Å; E432-Y469 WeakPolarHBondContact O-CE2 3.48Å; E432-Y469 PolarHBondContact O-OH 2.89Å
433	Q	92.8	Very high	96.2	Very high	84 Å²	84	72 Å²	72	39%	0.393	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-111.8	21.1	178.7	-60.1	-176.9	13.3	0	0	112.4	R429 P430 W431 Y469	R429-Q433 HydrophobicContact CB-CB 4.24Å; P430-Q433 CarbonylContact O-C 3.48Å; P430-Q433 WeakPolarHBondContact O-CA 3.27Å; P430-Q433 PolarHBondContact O-N 3.04Å; W431-Q433 PolarHBondContact O-N 3.5Å; W431-Q433 VanDerWaalsContact O-N 3.11Å; Q433-Y469 WeakPolarHBondContact O-CB 3.42Å
434	G	94.4	Very high	96.2	Very high	4 Å²	4	73 Å²	73	4%	0.041	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	7.6	172.5	0	0	0	0	0	116.1	P430 W431 L465 F466	P430-G434 PolarHBondContact O-N 3.49Å; W431-G434 PolarHBondContact O-N 2.78Å; G434-L465 WeakPolarHBondContact CA-O 3.2Å; G434-F466 WeakPolarHBondContact O-CA 3.11Å; G434-F466 WeakPolarHBondContact O-CD2 3.1Å
435	G	96.8	Very high	96.2	Very high	3 Å²	3	76 Å²	76	3%	0.031	38%	0.382	C	S	.	.			trans	-73.3	142.5	175.2	0	0	0	0	0	113	P427 R429 P430 W431 H438	P427-G435 CarbonylContact O-C 3.46Å; P427-G435 VanDerWaalsContact O-CA 3.25Å; P427-G435 WeakPolarHBondContact O-CA 2.74Å; R429-G435 VanDerWaalsContact O-CA 3.29Å; R429-G435 WeakPolarHBondContact O-CA 3.14Å; P430-G435 PolarHBondContact O-N 3.47Å; W431-G435 WeakPolarHBondContact CA-O 3.49Å; G435-H438 PolarHBondContact O-CE1 3.18Å; G435-H438 PolarHBondContact O-ND1 3.41Å
436	I	98.1	Very high	96.2	Very high	1 Å²	1	78.6 Å²	78.6	1%	0.005	39%	0.386	C	S	.	.			trans	-119.5	0.2	-172.9	58.4	170.4	0	0	0	113.2	P427 H438 L439 Q444 I447 L448 F466	P427-I436 HydrophobicContact CB-CD1 4.35Å; P427-I436 HydrophobicContact CB-CG1 3.75Å; P427-I436 PolarHBondContact O-N 3.14Å; I436-H438 PolarHBondContact O-N 3.16Å; I436-L439 HydrophobicContact CB-CD1 3.97Å; I436-L439 HydrophobicContact CG2-CD1 4.01Å; I436-L439 WeakPolarHBondContact O-CB 3.5Å; I436-L439 PolarHBondContact O-N 2.91Å; I436-Q444 HydrophobicContact CB-CG 4.4Å; I436-Q444 HydrophobicContact CD1-CB 4.1Å; I436-Q444 HydrophobicContact CD1-CG 4.26Å; I436-Q444 HydrophobicContact CG1-CG 4.34Å; I436-Q444 WeakPolarHBondContact O-CG 3.38Å; I436-Q444 PolarHBondContact O-NE2 3.29Å; I436-I447 HydrophobicContact CD1-CG2 4.33Å; I436-I447 HydrophobicContact CG2-CD1 4.15Å; I436-I447 HydrophobicContact CG2-CG2 4.44Å; I436-L448 HydrophobicContact CD1-CD2 4.4Å; I436-L448 HydrophobicContact CD1-CG 4.16Å; I436-F466 HydrophobicContact CD1-CD2 3.9Å; I436-F466 HydrophobicContact CD1-CE2 3.82Å; I436-F466 HydrophobicContact CD1-CZ 4.42Å; I436-F466 HydrophobicContact CG1-CD2 4.07Å; I436-F466 HydrophobicContact CG1-CE2 4.21Å; I436-F466 HydrophobicContact CG2-CB 3.91Å; I436-F466 HydrophobicContact CG2-CD2 3.82Å; I436-F466 HydrophobicContact CG2-CG 4.13Å
437	A	97.3	Very high	96.2	Very high	57 Å²	57	76.3 Å²	76.3	47%	0.471	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.9	-178.8	0	0	0	0	0	114.4	P427 L439	P427-A437 PolarHBondContact O-N 2.8Å; A437-L439 VanDerWaalsContact C-N 3.33Å
438	H	96	Very high	96.2	Very high	112 Å²	112	78 Å²	78	52%	0.519	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.9	177.3	68.2	-77.9	0	0	0	114.2	W431 G435 I436	W431-H438 WeakPolarHBondContact CB-CE1 3.39Å; G435-H438 PolarHBondContact O-CE1 3.18Å; G435-H438 PolarHBondContact O-ND1 3.41Å; I436-H438 PolarHBondContact O-N 3.16Å
439	L	97.3	Very high	96.1	Very high	39 Å²	39	76 Å²	76	20%	0.204	38%	0.375	C	S	.	.	S	Bend	trans	-90.4	162.9	-179.1	-57.3	174.7	0	0	0	111.5	I436 A437 E443 Q444 I447 P462	I436-L439 HydrophobicContact CB-CD1 3.97Å; I436-L439 HydrophobicContact CG2-CD1 4.01Å; I436-L439 WeakPolarHBondContact O-CB 3.5Å; I436-L439 PolarHBondContact O-N 2.91Å; A437-L439 VanDerWaalsContact C-N 3.33Å; L439-E443 HydrophobicContact CB-CB 4.46Å; L439-E443 HydrophobicContact CB-CG 4.36Å; L439-E443 HydrophobicContact CD1-CG 4.03Å; L439-Q444 HydrophobicContact CB-CG 4.08Å; L439-Q444 PolarHBondContact O-NE2 2.84Å; L439-I447 HydrophobicContact CD1-CD1 3.67Å; L439-P462 HydrophobicContact CD1-CB 3.6Å; L439-P462 HydrophobicContact CD1-CG 4.05Å
440	E	97.7	Very high	96.1	Very high	158 Å²	158	73.9 Å²	73.9	74%	0.738	37%	0.369	S	S	*	.			trans	-62.8	149	170.8	-66	-58.6	147.7	0	0	111.6	D442 E443 Q444	E440-D442 VanDerWaalsContact C-N 3.3Å; E440-D442 PolarHBondContact O-N 2.82Å; E440-E443 PolarHBondContact O-N 3.4Å; E440-Q444 WeakPolarHBondContact O-CG 3.49Å; E440-Q444 PolarHBondContact O-N 3.31Å
441	K	97.6	Very high	96.1	Very high	167 Å²	167	74.5 Å²	74.5	73%	0.726	37%	0.371	S	S	*	.	H	α-helix	trans	-57.4	-40.5	-174	-70.7	-172.9	176.7	-177.6	0	113.4	E443 Q444 E445	K441-E443 VanDerWaalsContact C-N 3.29Å; K441-E443 PolarHBondContact O-N 3.13Å; K441-Q444 WeakPolarHBondContact O-CB 3.44Å; K441-Q444 PolarHBondContact O-N 2.75Å; K441-E445 PolarHBondContact O-N 2.7Å
442	D	97.7	Very high	96.1	Very high	134 Å²	134	73.5 Å²	73.5	72%	0.717	37%	0.372	S	S	*	.	H	α-helix	trans	-63.7	-37.5	179.4	-62.2	-7	0	0	0	111.4	E440 E445 R446	E440-D442 VanDerWaalsContact C-N 3.3Å; E440-D442 PolarHBondContact O-N 2.82Å; D442-E445 PolarHBondContact O-N 2.76Å; D442-R446 WeakPolarHBondContact O-CB 3.49Å; D442-R446 PolarHBondContact O-N 3.49Å
443	E	97.2	Very high	96.3	Very high	61 Å²	61	68.4 Å²	68.4	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-72.3	-37.4	176.5	-179.9	62.5	-175.3	0	0	111.3	L439 E440 K441 R446 I447	L439-E443 HydrophobicContact CB-CB 4.46Å; L439-E443 HydrophobicContact CB-CG 4.36Å; L439-E443 HydrophobicContact CD1-CG 4.03Å; E440-E443 PolarHBondContact O-N 3.4Å; K441-E443 VanDerWaalsContact C-N 3.29Å; K441-E443 PolarHBondContact O-N 3.13Å; E443-R446 PolarHBondContact O-N 3.25Å; E443-R446 IonicContact OE1-CZ 2.6Å; E443-R446 IonicContact OE1-NE 2.69Å; E443-R446 PolarHBondContact OE1-NE 2.88Å; E443-R446 IonicContact OE1-NH2 2.7Å; E443-R446 PolarHBondContact OE1-NH2 3.27Å; E443-R446 IonicContact OE2-CZ 2.72Å; E443-R446 IonicContact OE2-NE 2.89Å; E443-R446 PolarHBondContact OE2-NE 2.95Å; E443-R446 IonicContact OE2-NH2 3.43Å; E443-I447 HydrophobicContact CG-CD1 4.1Å; E443-I447 WeakPolarHBondContact O-CB 3.33Å; E443-I447 VanDerWaalsContact O-CG1 3.3Å; E443-I447 WeakPolarHBondContact O-CG1 3.43Å; E443-I447 PolarHBondContact O-N 3Å
444	Q	97.8	Very high	96.3	Very high	45 Å²	45	67.5 Å²	67.5	21%	0.21	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-46.3	172.1	-63.9	-177.5	35.9	0	0	111.1	I436 L439 E440 K441 I447 L448	I436-Q444 HydrophobicContact CB-CG 4.4Å; I436-Q444 HydrophobicContact CD1-CB 4.1Å; I436-Q444 HydrophobicContact CD1-CG 4.26Å; I436-Q444 HydrophobicContact CG1-CG 4.34Å; I436-Q444 WeakPolarHBondContact O-CG 3.38Å; I436-Q444 PolarHBondContact O-NE2 3.29Å; L439-Q444 HydrophobicContact CB-CG 4.08Å; L439-Q444 PolarHBondContact O-NE2 2.84Å; E440-Q444 WeakPolarHBondContact O-CG 3.49Å; E440-Q444 PolarHBondContact O-N 3.31Å; K441-Q444 WeakPolarHBondContact O-CB 3.44Å; K441-Q444 PolarHBondContact O-N 2.75Å; Q444-I447 PolarHBondContact O-N 2.9Å; Q444-L448 WeakPolarHBondContact O-CB 3.23Å; Q444-L448 WeakPolarHBondContact O-CD1 3.37Å; Q444-L448 WeakPolarHBondContact O-CG 3.4Å; Q444-L448 PolarHBondContact O-N 3.5Å
445	E	97.2	Very high	96.2	Very high	127 Å²	127	76 Å²	76	59%	0.593	38%	0.38	S	S	*	.	H	α-helix	trans	-63.9	-40.7	178.3	-172.9	171.7	-174	0	0	111.9	K441 D442 I447 L448 T449	K441-E445 PolarHBondContact O-N 2.7Å; D442-E445 PolarHBondContact O-N 2.76Å; E445-I447 PolarHBondContact O-N 3.1Å; E445-L448 PolarHBondContact O-N 3.14Å; E445-T449 WeakPolarHBondContact O-CB 3.23Å; E445-T449 WeakPolarHBondContact O-CG2 3.28Å; E445-T449 PolarHBondContact O-N 2.75Å; E445-T449 PolarHBondContact O-OG1 3.34Å
446	R	97.3	Very high	95.9	Very high	104 Å²	104	76.7 Å²	76.7	39%	0.392	38%	0.383	S	S	.	.	H	α-helix	trans	-60.1	-44.8	173.9	-169.8	-164.5	69.5	72.1	-0.5	111.8	D442 E443 T449 S450 E463	D442-R446 WeakPolarHBondContact O-CB 3.49Å; D442-R446 PolarHBondContact O-N 3.49Å; E443-R446 PolarHBondContact O-N 3.25Å; E443-R446 IonicContact OE1-CZ 2.6Å; E443-R446 IonicContact OE1-NE 2.69Å; E443-R446 PolarHBondContact OE1-NE 2.88Å; E443-R446 IonicContact OE1-NH2 2.7Å; E443-R446 PolarHBondContact OE1-NH2 3.27Å; E443-R446 IonicContact OE2-CZ 2.72Å; E443-R446 IonicContact OE2-NE 2.89Å; E443-R446 PolarHBondContact OE2-NE 2.95Å; E443-R446 IonicContact OE2-NH2 3.43Å; R446-T449 PolarHBondContact O-OG1 2.63Å; R446-S450 PolarHBondContact O-N 2.9Å; R446-E463 IonicContact CZ-OE2 3.56Å; R446-E463 IonicContact NH1-OE2 3.7Å; R446-E463 PolarHBondContact NH1-OE2 3.33Å; R446-E463 IonicContact NH2-OE2 3.99Å; R446-E463 PolarHBondContact NH2-OE2 2.75Å; R446-E463 VanDerWaalsContact NH2-OE2 3.13Å
447	I	96.9	Very high	95.6	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-44.2	178.7	-70.4	171.3	0	0	0	110.6	I436 L439 E443 Q444 E445 T449 S450 P462 E463 F466 R467	I436-I447 HydrophobicContact CD1-CG2 4.33Å; I436-I447 HydrophobicContact CG2-CD1 4.15Å; I436-I447 HydrophobicContact CG2-CG2 4.44Å; L439-I447 HydrophobicContact CD1-CD1 3.67Å; E443-I447 HydrophobicContact CG-CD1 4.1Å; E443-I447 WeakPolarHBondContact O-CB 3.33Å; E443-I447 VanDerWaalsContact O-CG1 3.3Å; E443-I447 WeakPolarHBondContact O-CG1 3.43Å; E443-I447 PolarHBondContact O-N 3Å; Q444-I447 PolarHBondContact O-N 2.9Å; E445-I447 PolarHBondContact O-N 3.1Å; I447-T449 VanDerWaalsContact C-N 3.31Å; I447-T449 PolarHBondContact O-N 2.81Å; I447-S450 PolarHBondContact O-N 3.09Å; I447-S450 PolarHBondContact O-OG 2.81Å; I447-S450 VanDerWaalsContact O-OG 3.06Å; I447-P462 HydrophobicContact CD1-CB 3.92Å; I447-P462 HydrophobicContact CD1-CG 4.04Å; I447-E463 HydrophobicContact CD1-CB 4.4Å; I447-E463 HydrophobicContact CG1-CB 4.02Å; I447-E463 HydrophobicContact CG1-CG 4.35Å; I447-E463 HydrophobicContact CG2-CG 4.4Å; I447-F466 HydrophobicContact CG2-CB 3.81Å; I447-F466 HydrophobicContact CG2-CD1 3.35Å; I447-F466 HydrophobicContact CG2-CD2 4.4Å; I447-F466 HydrophobicContact CG2-CE1 4Å; I447-F466 HydrophobicContact CG2-CG 3.59Å; I447-R467 PolarHBondContact O-NH2 2.62Å
448	L	95.8	Very high	95	Very high	75 Å²	75	80.2 Å²	80.2	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-38.2	-179.4	-75.1	165.8	0	0	0	112.4	I436 Q444 E445 S450 F466 R467	I436-L448 HydrophobicContact CD1-CD2 4.4Å; I436-L448 HydrophobicContact CD1-CG 4.16Å; Q444-L448 WeakPolarHBondContact O-CB 3.23Å; Q444-L448 WeakPolarHBondContact O-CD1 3.37Å; Q444-L448 WeakPolarHBondContact O-CG 3.4Å; Q444-L448 PolarHBondContact O-N 3.5Å; E445-L448 PolarHBondContact O-N 3.14Å; L448-S450 VanDerWaalsContact C-N 3.33Å; L448-S450 PolarHBondContact O-N 3.4Å; L448-F466 HydrophobicContact CD2-CE1 4.26Å; L448-F466 HydrophobicContact CD2-CE2 4.28Å; L448-F466 HydrophobicContact CD2-CZ 3.58Å; L448-R467 PolarHBondContact O-NH2 2.75Å
449	T	95.1	Very high	94.4	Very high	100 Å²	100	78.1 Å²	78.1	61%	0.613	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.6	-178.7	53.6	0	0	0	0	114.4	E445 R446 I447	E445-T449 WeakPolarHBondContact O-CB 3.23Å; E445-T449 WeakPolarHBondContact O-CG2 3.28Å; E445-T449 PolarHBondContact O-N 2.75Å; E445-T449 PolarHBondContact O-OG1 3.34Å; R446-T449 PolarHBondContact O-OG1 2.63Å; I447-T449 VanDerWaalsContact C-N 3.31Å; I447-T449 PolarHBondContact O-N 2.81Å
450	S	95	Very high	94	Very high	15 Å²	15	84.9 Å²	84.9	11%	0.105	42%	0.416	C	S	.	.			trans	-74.5	142.7	-177.7	82.4	0	0	0	0	114	R446 I447 L448 E463 R467	R446-S450 PolarHBondContact O-N 2.9Å; I447-S450 PolarHBondContact O-N 3.09Å; I447-S450 PolarHBondContact O-OG 2.81Å; I447-S450 VanDerWaalsContact O-OG 3.06Å; L448-S450 VanDerWaalsContact C-N 3.33Å; L448-S450 PolarHBondContact O-N 3.4Å; S450-E463 WeakPolarHBondContact CB-OE1 3.12Å; S450-E463 PolarHBondContact OG-OE1 3.16Å; S450-R467 PolarHBondContact O-NH2 3.05Å; S450-R467 PolarHBondContact OG-NE 3.35Å; S450-R467 PolarHBondContact OG-NH2 2.99Å
451	T	95.3	Very high	93.8	Very high	92 Å²	92	79.3 Å²	79.3	56%	0.564	39%	0.391	S	S	*	.	S	Bend	trans	-117	-6.8	-177.5	54	0	0	0	0	113.7	F389 A390 R416	F389-T451 HydrophobicContact CZ-CG2 4.22Å; A390-T451 WeakPolarHBondContact CA-O 3.31Å; A390-T451 WeakPolarHBondContact CB-O 3.18Å; R416-T451 PolarHBondContact NH2-O 3.29Å
452	D	95.3	Very high	93.7	Very high	59 Å²	59	72.9 Å²	72.9	32%	0.316	37%	0.366	S	S	.	.	S	Bend	trans	-150.3	136.3	171.4	-154.8	-109.5	0	0	0	109.2	A390 R416 P454	A390-D452 WeakPolarHBondContact O-CA 3.34Å; R416-D452 IonicContact CZ-OD2 3.47Å; R416-D452 IonicContact NH1-OD2 2.69Å; R416-D452 PolarHBondContact NH1-OD2 3.45Å; R416-D452 IonicContact NH2-OD2 3.05Å; R416-D452 PolarHBondContact NH2-OD2 2.7Å; D452-P454 WeakPolarHBondContact O-CD 3.39Å
453	V	94.3	Very high	93.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-77.5	120.4	175.6	-179	0	0	0	0	109.2	A390 W464 R467	A390-V453 PolarHBondContact O-N 2.61Å; V453-W464 HydrophobicContact CG1-CB 4.1Å; V453-W464 HydrophobicContact CG1-CE3 4.24Å; V453-R467 HydrophobicContact CG2-CB 3.56Å; V453-R467 HydrophobicContact CG2-CG 3.53Å
454	P	92.2	Very high	93.6	Very high	64 Å²	64	65.2 Å²	65.2	42%	0.416	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-66.7	157	176.6	28.3	-34	0	0	0	111.2	D452 H456	D452-P454 WeakPolarHBondContact O-CD 3.39Å; P454-H456 PolarHBondContact O-N 3.1Å; P454-H456 PolarHBondContact O-ND1 2.69Å
455	R	92.3	Very high	93.5	Very high	183 Å²	183	63.8 Å²	63.8	69%	0.691	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-56.4	130.2	169.7	-74.1	-173.4	178.9	-172.1	-0.9	109.4	P258 Q395	P258-R455 HydrophobicContact CB-CB 4.06Å; P258-R455 HydrophobicContact CB-CG 4.38Å; P258-R455 HydrophobicContact CG-CB 4.1Å; Q395-R455 VanDerWaalsContact OE1-CG 3.3Å
456	H	91.2	Very high	93.5	Very high	18 Å²	18	58 Å²	58	8%	0.083	29%	0.292	C	S	.	.			trans	-140.2	162.2	-175.6	57.8	-89.3	0	0	0	110.1	Y396 P454 N461 W464	Y396-H456 AromaticContact CE1-CE1 3.77Å; Y396-H456 AromaticContact CZ-CE1 3.79Å; Y396-H456 PolarHBondContact OH-CE1 2.63Å; Y396-H456 PolarHBondContact OH-ND1 3.49Å; P454-H456 PolarHBondContact O-N 3.1Å; P454-H456 PolarHBondContact O-ND1 2.69Å; H456-N461 HydrophobicContact CB-CB 4.17Å; H456-W464 VanDerWaalsContact CE1-CB 3.42Å; H456-W464 WeakPolarHBondContact CE1-CB 3.28Å; H456-W464 AromaticContact CE1-CD2 3.7Å; H456-W464 AromaticContact CE1-CE3 3.9Å; H456-W464 AromaticContact CE1-CG 3.5Å; H456-W464 VanDerWaalsContact CE1-CG 3.5Å; H456-W464 AromaticContact NE2-CD1 3.72Å; H456-W464 AromaticContact NE2-CD2 3.81Å; H456-W464 AromaticContact NE2-CG 3.36Å
457	L	90.9	Very high	93.5	Very high	89 Å²	89	53.2 Å²	53.2	47%	0.466	27%	0.274	S	S	.	.			trans	-83.1	152.4	168	-60.5	-178.9	0	0	0	110.1	G254 Q257	G254-L457 WeakPolarHBondContact O-CA 3.23Å; G254-L457 WeakPolarHBondContact O-CD2 3.12Å; Q257-L457 WeakPolarHBondContact O-CD2 3.39Å
458	C	84.7	Confident	93.4	Very high	43 Å²	43	53.5 Å²	53.5	29%	0.291	28%	0.275	S	S	.	.	S	Bend	trans	-60.4	158.3	173.7	-152.8	0	0	0	0	111.5	Y253 G254 F255	Y253-C458 WeakPolarHBondContact O-CB 3.32Å; Y253-C458 PolarHBondContact O-SG 2.88Å; G254-C458 PolarHBondContact O-N 2.95Å; F255-C458 HydrophobicContact CD1-CB 4.3Å; F255-C458 HydrophobicContact CE1-CB 4.19Å
459	C	84.3	Confident	93.5	Very high	67 Å²	67	52.7 Å²	52.7	45%	0.453	27%	0.267	S	S	.	.	S	Bend	cis	-130.8	5.1	-6.9	-50.3	0	0	0	0	111.4
460	R	88.7	Confident	93.6	Very high	182 Å²	182	48 Å²	48	69%	0.687	24%	0.238	S	C	*	.			trans	-117.6	23.6	-168.9	-58.5	-170	170.7	-178.4	-6.5	111.9	W431 P462	W431-R460 HydrophobicContact CH2-CG 3.76Å; W431-R460 HydrophobicContact CZ3-CB 4.06Å; W431-R460 HydrophobicContact CZ3-CG 3.7Å; R460-P462 VanDerWaalsContact O-CD 3.25Å; R460-P462 WeakPolarHBondContact O-CD 3.49Å
461	N	93.8	Very high	93.7	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.219	23%	0.234	C	C	.	.			trans	-67.6	114.7	176.4	-179.6	-82.9	0	0	0	108.5	H456 E463 W464 L465	H456-N461 HydrophobicContact CB-CB 4.17Å; N461-E463 VanDerWaalsContact C-N 3.32Å; N461-E463 PolarHBondContact O-N 2.92Å; N461-E463 WeakPolarHBondContact OD1-CB 3.43Å; N461-E463 PolarHBondContact OD1-N 3.13Å; N461-W464 HydrophobicContact CB-CB 3.99Å; N461-W464 PolarHBondContact O-N 3.44Å; N461-W464 WeakPolarHBondContact OD1-CB 3.48Å; N461-W464 PolarHBondContact OD1-N 2.99Å; N461-L465 WeakPolarHBondContact O-CG 3.23Å; N461-L465 PolarHBondContact O-N 3.19Å; N461-L465 VanDerWaalsContact O-N 3.08Å
462	P	95.4	Very high	93.9	Very high	31 Å²	31	43.1 Å²	43.1	20%	0.201	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-34.4	-171.6	24.7	-33.2	0	0	0	112.4	L439 I447 R460 L465 F466	L439-P462 HydrophobicContact CD1-CB 3.6Å; L439-P462 HydrophobicContact CD1-CG 4.05Å; I447-P462 HydrophobicContact CD1-CB 3.92Å; I447-P462 HydrophobicContact CD1-CG 4.04Å; R460-P462 VanDerWaalsContact O-CD 3.25Å; R460-P462 WeakPolarHBondContact O-CD 3.49Å; P462-L465 PolarHBondContact O-N 2.77Å; P462-F466 WeakPolarHBondContact O-CB 3.1Å; P462-F466 PolarHBondContact O-N 3.01Å
463	E	96.1	Very high	94	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.023	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-45.2	177.6	-174	172.2	178.5	0	0	111.7	R446 I447 S450 N461 F466 R467	R446-E463 IonicContact CZ-OE2 3.56Å; R446-E463 IonicContact NH1-OE2 3.7Å; R446-E463 PolarHBondContact NH1-OE2 3.33Å; R446-E463 IonicContact NH2-OE2 3.99Å; R446-E463 PolarHBondContact NH2-OE2 2.75Å; R446-E463 VanDerWaalsContact NH2-OE2 3.13Å; I447-E463 HydrophobicContact CD1-CB 4.4Å; I447-E463 HydrophobicContact CG1-CB 4.02Å; I447-E463 HydrophobicContact CG1-CG 4.35Å; I447-E463 HydrophobicContact CG2-CG 4.4Å; S450-E463 WeakPolarHBondContact CB-OE1 3.12Å; S450-E463 PolarHBondContact OG-OE1 3.16Å; N461-E463 VanDerWaalsContact C-N 3.32Å; N461-E463 PolarHBondContact O-N 2.92Å; N461-E463 WeakPolarHBondContact OD1-CB 3.43Å; N461-E463 PolarHBondContact OD1-N 3.13Å; E463-F466 PolarHBondContact O-N 2.84Å; E463-R467 WeakPolarHBondContact O-CB 3.49Å; E463-R467 VanDerWaalsContact O-CG 3.3Å; E463-R467 WeakPolarHBondContact O-CG 3.43Å; E463-R467 PolarHBondContact O-N 3.32Å
464	W	95.4	Very high	94.3	Very high	30 Å²	30	43.5 Å²	43.5	11%	0.114	21%	0.209	C	C	.	.	H	α-helix	trans	-56.9	-51.9	172.7	165.9	-114	0	0	0	111.7	V391 Y396 V453 H456 N461 F466 R467 I468	V391-W464 HydrophobicContact CG1-CH2 4.34Å; V391-W464 HydrophobicContact CG1-CZ3 3.82Å; V391-W464 HydrophobicContact CG2-CZ3 4.25Å; Y396-W464 HydrophobicContact CD1-CE3 4.35Å; Y396-W464 AromaticContact CD1-CH2 3.38Å; Y396-W464 HydrophobicContact CD1-CH2 3.38Å; Y396-W464 AromaticContact CD1-CZ2 3.99Å; Y396-W464 HydrophobicContact CD1-CZ2 3.99Å; Y396-W464 AromaticContact CD1-CZ3 3.6Å; Y396-W464 HydrophobicContact CD1-CZ3 3.6Å; Y396-W464 AromaticContact CD2-CH2 3.97Å; Y396-W464 HydrophobicContact CD2-CH2 3.97Å; Y396-W464 AromaticContact CD2-CZ3 3.65Å; Y396-W464 HydrophobicContact CD2-CZ3 3.65Å; Y396-W464 HydrophobicContact CE1-CD2 4.19Å; Y396-W464 AromaticContact CE1-CE3 3.68Å; Y396-W464 HydrophobicContact CE1-CE3 3.68Å; Y396-W464 AromaticContact CE1-CH2 3.58Å; Y396-W464 HydrophobicContact CE1-CH2 3.58Å; Y396-W464 HydrophobicContact CE1-CZ2 4.11Å; Y396-W464 AromaticContact CE1-CZ3 3.36Å; Y396-W464 HydrophobicContact CE1-CZ3 3.36Å; Y396-W464 HydrophobicContact CE2-CE3 4.06Å; Y396-W464 HydrophobicContact CE2-CH2 4.18Å; Y396-W464 AromaticContact CE2-CZ3 3.44Å; Y396-W464 HydrophobicContact CE2-CZ3 3.44Å; Y396-W464 VanDerWaalsContact CE2-CZ3 3.44Å; Y396-W464 AromaticContact CG-CH2 3.61Å; Y396-W464 HydrophobicContact CG-CH2 3.61Å; Y396-W464 AromaticContact CG-CZ3 3.77Å; Y396-W464 HydrophobicContact CG-CZ3 3.77Å; Y396-W464 AromaticContact CZ-CE3 3.55Å; Y396-W464 AromaticContact CZ-CZ3 3.3Å; V453-W464 HydrophobicContact CG1-CB 4.1Å; V453-W464 HydrophobicContact CG1-CE3 4.24Å; H456-W464 VanDerWaalsContact CE1-CB 3.42Å; H456-W464 WeakPolarHBondContact CE1-CB 3.28Å; H456-W464 AromaticContact CE1-CD2 3.7Å; H456-W464 AromaticContact CE1-CE3 3.9Å; H456-W464 AromaticContact CE1-CG 3.5Å; H456-W464 VanDerWaalsContact CE1-CG 3.5Å; H456-W464 AromaticContact NE2-CD1 3.72Å; H456-W464 AromaticContact NE2-CD2 3.81Å; H456-W464 AromaticContact NE2-CG 3.36Å; N461-W464 HydrophobicContact CB-CB 3.99Å; N461-W464 PolarHBondContact O-N 3.44Å; N461-W464 WeakPolarHBondContact OD1-CB 3.48Å; N461-W464 PolarHBondContact OD1-N 2.99Å; W464-F466 VanDerWaalsContact C-N 3.32Å; W464-F466 PolarHBondContact O-N 3.47Å; W464-R467 PolarHBondContact O-N 2.85Å; W464-I468 HydrophobicContact CD2-CB 4.25Å; W464-I468 HydrophobicContact CD2-CG2 4.35Å; W464-I468 HydrophobicContact CE3-CB 4.23Å; W464-I468 HydrophobicContact CH2-CB 3.99Å; W464-I468 HydrophobicContact CH2-CD1 3.56Å; W464-I468 HydrophobicContact CH2-CG1 3.65Å; W464-I468 HydrophobicContact CZ2-CB 3.99Å; W464-I468 HydrophobicContact CZ2-CD1 4.16Å; W464-I468 HydrophobicContact CZ2-CG1 3.73Å; W464-I468 HydrophobicContact CZ2-CG2 4.24Å; W464-I468 HydrophobicContact CZ3-CB 4.1Å; W464-I468 HydrophobicContact CZ3-CD1 3.97Å; W464-I468 HydrophobicContact CZ3-CG1 4.2Å; W464-I468 WeakPolarHBondContact O-CB 3.32Å; W464-I468 VanDerWaalsContact O-CG2 3.26Å; W464-I468 WeakPolarHBondContact O-CG2 3.33Å; W464-I468 PolarHBondContact O-N 3.25Å
465	L	95.9	Very high	94.6	Very high	14 Å²	14	42 Å²	42	7%	0.073	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-43.4	-179.2	-65.8	170.6	0	0	0	110.7	W431 G434 N461 P462 R467 Y469	W431-L465 HydrophobicContact CE3-CD1 3.8Å; W431-L465 HydrophobicContact CZ3-CD1 3.94Å; G434-L465 WeakPolarHBondContact CA-O 3.2Å; N461-L465 WeakPolarHBondContact O-CG 3.23Å; N461-L465 PolarHBondContact O-N 3.19Å; N461-L465 VanDerWaalsContact O-N 3.08Å; P462-L465 PolarHBondContact O-N 2.77Å; L465-R467 PolarHBondContact O-N 2.74Å; L465-Y469 HydrophobicContact CB-CD2 4.47Å; L465-Y469 HydrophobicContact CD2-CD2 4.36Å; L465-Y469 HydrophobicContact CD2-CE2 3.84Å; L465-Y469 WeakPolarHBondContact O-CB 3.38Å; L465-Y469 VanDerWaalsContact O-CD2 3.3Å; L465-Y469 WeakPolarHBondContact O-CD2 3.41Å; L465-Y469 PolarHBondContact O-N 3.21Å
466	F	97.3	Very high	94.9	Very high	5 Å²	5	34 Å²	34	2%	0.022	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-42.2	176.6	178.4	-99.4	0	0	0	112.8	T425 G434 I436 I447 L448 P462 E463 W464 Q470	T425-F466 HydrophobicContact CG2-CE1 4.1Å; T425-F466 HydrophobicContact CG2-CE2 4.31Å; T425-F466 HydrophobicContact CG2-CZ 3.62Å; G434-F466 WeakPolarHBondContact O-CA 3.11Å; G434-F466 WeakPolarHBondContact O-CD2 3.1Å; I436-F466 HydrophobicContact CD1-CD2 3.9Å; I436-F466 HydrophobicContact CD1-CE2 3.82Å; I436-F466 HydrophobicContact CD1-CZ 4.42Å; I436-F466 HydrophobicContact CG1-CD2 4.07Å; I436-F466 HydrophobicContact CG1-CE2 4.21Å; I436-F466 HydrophobicContact CG2-CB 3.91Å; I436-F466 HydrophobicContact CG2-CD2 3.82Å; I436-F466 HydrophobicContact CG2-CG 4.13Å; I447-F466 HydrophobicContact CG2-CB 3.81Å; I447-F466 HydrophobicContact CG2-CD1 3.35Å; I447-F466 HydrophobicContact CG2-CD2 4.4Å; I447-F466 HydrophobicContact CG2-CE1 4Å; I447-F466 HydrophobicContact CG2-CG 3.59Å; L448-F466 HydrophobicContact CD2-CE1 4.26Å; L448-F466 HydrophobicContact CD2-CE2 4.28Å; L448-F466 HydrophobicContact CD2-CZ 3.58Å; P462-F466 WeakPolarHBondContact O-CB 3.1Å; P462-F466 PolarHBondContact O-N 3.01Å; E463-F466 PolarHBondContact O-N 2.84Å; W464-F466 VanDerWaalsContact C-N 3.32Å; W464-F466 PolarHBondContact O-N 3.47Å; F466-Q470 WeakPolarHBondContact O-CG 3.43Å; F466-Q470 PolarHBondContact O-NE2 2.98Å
467	R	96.8	Very high	95.2	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-78.9	-37.6	-178.9	-65.6	-55.4	-174.8	179.5	-18	113.2	P388 A390 V391 I447 L448 S450 V453 E463 W464 L465 Q470	P388-R467 WeakPolarHBondContact CB-O 3.41Å; A390-R467 HydrophobicContact CB-CB 4.46Å; A390-R467 HydrophobicContact CB-CG 3.89Å; V391-R467 HydrophobicContact CG2-CB 4.13Å; I447-R467 PolarHBondContact O-NH2 2.62Å; L448-R467 PolarHBondContact O-NH2 2.75Å; S450-R467 PolarHBondContact O-NH2 3.05Å; S450-R467 PolarHBondContact OG-NE 3.35Å; S450-R467 PolarHBondContact OG-NH2 2.99Å; V453-R467 HydrophobicContact CG2-CB 3.56Å; V453-R467 HydrophobicContact CG2-CG 3.53Å; E463-R467 WeakPolarHBondContact O-CB 3.49Å; E463-R467 VanDerWaalsContact O-CG 3.3Å; E463-R467 WeakPolarHBondContact O-CG 3.43Å; E463-R467 PolarHBondContact O-N 3.32Å; W464-R467 PolarHBondContact O-N 2.85Å; L465-R467 PolarHBondContact O-N 2.74Å; R467-Q470 VanDerWaalsContact CD-NE2 3.28Å; R467-Q470 VanDerWaalsContact O-CG 3.28Å; R467-Q470 WeakPolarHBondContact O-CG 3.27Å; R467-Q470 PolarHBondContact O-OE1 3.46Å
468	I	96.6	Very high	95.5	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-74.9	-30.7	-177	-161.9	58.6	0	0	0	112.7	R320 P388 V391 W464 Q470	R320-I468 WeakPolarHBondContact CD-O 3.47Å; R320-I468 WeakPolarHBondContact CG-O 3.42Å; P388-I468 HydrophobicContact CG-CD1 4.35Å; V391-I468 HydrophobicContact CG1-CD1 4.06Å; V391-I468 HydrophobicContact CG2-CD1 3.89Å; W464-I468 HydrophobicContact CD2-CB 4.25Å; W464-I468 HydrophobicContact CD2-CG2 4.35Å; W464-I468 HydrophobicContact CE3-CB 4.23Å; W464-I468 HydrophobicContact CH2-CB 3.99Å; W464-I468 HydrophobicContact CH2-CD1 3.56Å; W464-I468 HydrophobicContact CH2-CG1 3.65Å; W464-I468 HydrophobicContact CZ2-CB 3.99Å; W464-I468 HydrophobicContact CZ2-CD1 4.16Å; W464-I468 HydrophobicContact CZ2-CG1 3.73Å; W464-I468 HydrophobicContact CZ2-CG2 4.24Å; W464-I468 HydrophobicContact CZ3-CB 4.1Å; W464-I468 HydrophobicContact CZ3-CD1 3.97Å; W464-I468 HydrophobicContact CZ3-CG1 4.2Å; W464-I468 WeakPolarHBondContact O-CB 3.32Å; W464-I468 VanDerWaalsContact O-CG2 3.26Å; W464-I468 WeakPolarHBondContact O-CG2 3.33Å; W464-I468 PolarHBondContact O-N 3.25Å; I468-Q470 VanDerWaalsContact C-N 3.32Å; I468-Q470 PolarHBondContact O-N 2.05Å
469	Y	97	Very high	96.2	Very high	57 Å²	57	33.3 Å²	33.3	22%	0.224	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	9.3	-177.4	-77.8	-67.4	0	0	0	115.1	T319 R320 E432 Q433 L465	T319-Y469 HydrophobicContact CG2-CD1 4.19Å; R320-Y469 HydrophobicContact CG-CD1 4.41Å; E432-Y469 WeakPolarHBondContact O-CE2 3.48Å; E432-Y469 PolarHBondContact O-OH 2.89Å; Q433-Y469 WeakPolarHBondContact O-CB 3.42Å; L465-Y469 HydrophobicContact CB-CD2 4.47Å; L465-Y469 HydrophobicContact CD2-CD2 4.36Å; L465-Y469 HydrophobicContact CD2-CE2 3.84Å; L465-Y469 WeakPolarHBondContact O-CB 3.38Å; L465-Y469 VanDerWaalsContact O-CD2 3.3Å; L465-Y469 WeakPolarHBondContact O-CD2 3.41Å; L465-Y469 PolarHBondContact O-N 3.21Å
470	Q	96.7	Very high	96.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.156	C	C	.	.			trans	-70.7	146.6	178.4	-56.1	179	-27.5	0	0	111.5	R320 P388 T423 T425 F466 R467 I468	R320-Q470 WeakPolarHBondContact CA-O 3.41Å; P388-Q470 HydrophobicContact CB-CB 4.42Å; T423-Q470 HydrophobicContact CG2-CB 3.77Å; T423-Q470 VanDerWaalsContact CG2-CD 3.43Å; T423-Q470 HydrophobicContact CG2-CG 4.04Å; T425-Q470 HydrophobicContact CG2-CG 4.05Å; T425-Q470 VanDerWaalsContact CG2-NE2 3.32Å; F466-Q470 WeakPolarHBondContact O-CG 3.43Å; F466-Q470 PolarHBondContact O-NE2 2.98Å; R467-Q470 VanDerWaalsContact CD-NE2 3.28Å; R467-Q470 VanDerWaalsContact O-CG 3.28Å; R467-Q470 WeakPolarHBondContact O-CG 3.27Å; R467-Q470 PolarHBondContact O-OE1 3.46Å; I468-Q470 VanDerWaalsContact C-N 3.32Å; I468-Q470 PolarHBondContact O-N 2.05Å
471	D	98.2	Very high	97.3	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.027	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	148.7	168.5	-55.3	-30.2	0	0	0	109.3	R320 L321 L323 V424 H426	R320-D471 WeakPolarHBondContact CA-OD1 3.25Å; R320-D471 PolarHBondContact N-OD1 2.81Å; L321-D471 HydrophobicContact CB-CB 4.01Å; L321-D471 WeakPolarHBondContact CG-OD1 3.1Å; L321-D471 PolarHBondContact N-OD1 2.93Å; L323-D471 HydrophobicContact CD1-CB 4.34Å; L323-D471 HydrophobicContact CD2-CB 3.89Å; L323-D471 HydrophobicContact CG-CB 4.13Å; V424-D471 HydrophobicContact CB-CB 4.25Å; V424-D471 PolarHBondContact N-O 2.79Å; V424-D471 PolarHBondContact O-N 2.71Å; H426-D471 IonicContact CD2-OD2 2.98Å; H426-D471 IonicContact CE1-OD2 3.15Å; H426-D471 IonicContact NE2-OD2 3.33Å; H426-D471 PolarHBondContact NE2-OD2 3.44Å
472	T	98.6	Very high	97.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.6	-168.8	-60	0	0	0	0	111.1	L321 I322 L323 W415 N417 V474	L321-T472 PolarHBondContact O-N 2.93Å; I322-T472 WeakPolarHBondContact CA-O 3.42Å; L323-T472 PolarHBondContact N-O 3.08Å; W415-T472 HydrophobicContact CH2-CG2 4.26Å; W415-T472 HydrophobicContact CZ3-CG2 4.08Å; N417-T472 HydrophobicContact CB-CG2 3.89Å; T472-V474 HydrophobicContact CG2-CG2 4.34Å
473	L	98.6	Very high	97.6	Very high	65 Å²	65	28.2 Å²	28.2	34%	0.34	15%	0.147	S	C	.	.			trans	-86.3	109.9	162.8	-172.7	73.6	0	0	0	108.5	L323 N324 N422 D475	L323-L473 HydrophobicContact CB-CD1 4.09Å; L323-L473 HydrophobicContact CD1-CB 4.39Å; N324-L473 HydrophobicContact CB-CD1 3.63Å; N422-L473 HydrophobicContact CB-CB 4.04Å; N422-L473 WeakPolarHBondContact CB-O 3.42Å; N422-L473 PolarHBondContact ND2-O 2.79Å; N422-L473 PolarHBondContact O-N 2.89Å; L473-D475 PolarHBondContact O-N 3.42Å
474	V	98.7	Very high	97.6	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.163	C	C	.	.			trans	-75.2	122.8	-175.1	178.2	0	0	0	0	109.5	I322 N324 L328 L386 W415 T472 I476 F479	I322-V474 HydrophobicContact CG2-CG2 3.8Å; N324-V474 PolarHBondContact ND2-O 3.06Å; N324-V474 PolarHBondContact OD1-N 2.86Å; L328-V474 HydrophobicContact CD1-CG1 4.39Å; L386-V474 HydrophobicContact CD2-CG1 4.31Å; L386-V474 HydrophobicContact CD2-CG2 3.71Å; W415-V474 HydrophobicContact CH2-CB 4.47Å; W415-V474 HydrophobicContact CH2-CG1 4.16Å; W415-V474 HydrophobicContact CZ2-CG1 4.36Å; W415-V474 HydrophobicContact CZ3-CG1 4.32Å; W415-V474 HydrophobicContact CZ3-CG2 4.27Å; T472-V474 HydrophobicContact CG2-CG2 4.34Å; V474-I476 HydrophobicContact CB-CD1 4.38Å; V474-I476 HydrophobicContact CG1-CD1 4.14Å; V474-I476 PolarHBondContact O-N 3.34Å; V474-F479 HydrophobicContact CG1-CB 3.78Å; V474-F479 HydrophobicContact CG1-CD2 4.31Å; V474-F479 HydrophobicContact CG1-CG 4.03Å
475	D	98.6	Very high	97.6	Very high	32 Å²	32	34.2 Å²	34.2	17%	0.171	18%	0.177	C	C	.	.			trans	-72.5	96.6	171.3	-175.5	-83.6	0	0	0	109.2	W415 K419 L473 S478 F479	W415-D475 HydrophobicContact CZ2-CB 4.22Å; K419-D475 IonicContact NZ-OD2 3.13Å; K419-D475 PolarHBondContact NZ-OD2 3.49Å; L473-D475 PolarHBondContact O-N 3.42Å; D475-S478 PolarHBondContact O-N 3.34Å; D475-S478 WeakPolarHBondContact OD1-CA 3.13Å; D475-S478 WeakPolarHBondContact OD1-CB 3.32Å; D475-S478 PolarHBondContact OD1-N 2.81Å; D475-F479 VanDerWaalsContact O-CB 3.32Å; D475-F479 WeakPolarHBondContact O-CB 3.33Å; D475-F479 PolarHBondContact O-N 2.98Å
476	I	98.5	Very high	97.6	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.077	18%	0.181	C	C	.	.	H	α-helix	trans	-55.7	-45.1	-173.8	-57.9	-54.9	0	0	0	112.9	E327 L328 A331 V474 S478 F479 L480	E327-I476 HydrophobicContact CG-CG1 3.89Å; E327-I476 WeakPolarHBondContact OE1-CG1 3.49Å; L328-I476 HydrophobicContact CB-CD1 3.97Å; L328-I476 HydrophobicContact CD1-CD1 4.02Å; A331-I476 HydrophobicContact CB-CG2 3.43Å; A331-I476 VanDerWaalsContact CB-CG2 3.43Å; V474-I476 HydrophobicContact CB-CD1 4.38Å; V474-I476 HydrophobicContact CG1-CD1 4.14Å; V474-I476 PolarHBondContact O-N 3.34Å; I476-S478 PolarHBondContact O-N 2.86Å; I476-F479 PolarHBondContact O-N 3.2Å; I476-L480 HydrophobicContact CG2-CD1 3.98Å; I476-L480 HydrophobicContact CG2-CG 4.12Å; I476-L480 WeakPolarHBondContact O-CB 3.31Å; I476-L480 WeakPolarHBondContact O-CG 3.42Å; I476-L480 PolarHBondContact O-N 2.91Å
477	P	98.3	Very high	97.4	Very high	97 Å²	97	36.5 Å²	36.5	63%	0.63	19%	0.192	S	C	*	.	H	α-helix	trans	-61.3	-45	177.7	-24.5	35.8	0	0	0	113.3	K481	P477-K481 WeakPolarHBondContact O-CB 3.32Å; P477-K481 PolarHBondContact O-N 3.16Å
478	S	98.4	Very high	97.1	Very high	39 Å²	39	44 Å²	44	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-45.9	175.6	177	0	0	0	0	111.3	W415 D475 I476 K481 V482	W415-S478 PolarHBondContact NE1-OG 2.86Å; D475-S478 PolarHBondContact O-N 3.34Å; D475-S478 WeakPolarHBondContact OD1-CA 3.13Å; D475-S478 WeakPolarHBondContact OD1-CB 3.32Å; D475-S478 PolarHBondContact OD1-N 2.81Å; I476-S478 PolarHBondContact O-N 2.86Å; S478-K481 PolarHBondContact O-N 2.73Å; S478-V482 WeakPolarHBondContact O-CG2 3.36Å; S478-V482 PolarHBondContact O-N 3.29Å
479	F	98.6	Very high	96.6	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-53.1	178.3	171.8	-98.2	0	0	0	112	L328 L332 V364 V384 L386 W415 V474 D475 I476 K481 V482 L483	L328-F479 HydrophobicContact CD1-CD1 3.6Å; L328-F479 HydrophobicContact CD1-CE1 3.39Å; L328-F479 HydrophobicContact CD1-CE2 4.48Å; L328-F479 HydrophobicContact CD1-CG 4.25Å; L328-F479 HydrophobicContact CD1-CZ 3.87Å; L332-F479 HydrophobicContact CD2-CE1 3.72Å; L332-F479 HydrophobicContact CD2-CZ 4.06Å; L332-F479 HydrophobicContact CG-CE1 4.14Å; V364-F479 HydrophobicContact CG1-CE2 4.47Å; V364-F479 HydrophobicContact CG1-CZ 4.16Å; V384-F479 HydrophobicContact CG1-CE2 3.83Å; V384-F479 HydrophobicContact CG1-CZ 4.17Å; L386-F479 HydrophobicContact CD1-CE2 3.98Å; L386-F479 HydrophobicContact CD2-CD2 4.35Å; L386-F479 HydrophobicContact CD2-CE2 4.26Å; L386-F479 HydrophobicContact CG-CD2 4.48Å; L386-F479 HydrophobicContact CG-CE2 4.22Å; W415-F479 HydrophobicContact CB-CD2 4.03Å; W415-F479 VanDerWaalsContact CD1-CA 3.49Å; W415-F479 HydrophobicContact CD2-CD2 4.31Å; W415-F479 HydrophobicContact CG-CB 4.44Å; W415-F479 AromaticContact CG-CD2 3.94Å; W415-F479 HydrophobicContact CG-CD2 3.94Å; V474-F479 HydrophobicContact CG1-CB 3.78Å; V474-F479 HydrophobicContact CG1-CD2 4.31Å; V474-F479 HydrophobicContact CG1-CG 4.03Å; D475-F479 VanDerWaalsContact O-CB 3.32Å; D475-F479 WeakPolarHBondContact O-CB 3.33Å; D475-F479 PolarHBondContact O-N 2.98Å; I476-F479 PolarHBondContact O-N 3.2Å; F479-K481 VanDerWaalsContact C-N 3.28Å; F479-K481 PolarHBondContact O-N 3.06Å; F479-V482 PolarHBondContact O-N 3.04Å; F479-L483 HydrophobicContact CE1-CD2 3.88Å; F479-L483 HydrophobicContact CZ-CD2 3.85Å; F479-L483 WeakPolarHBondContact O-CB 3.3Å; F479-L483 PolarHBondContact O-N 2.79Å
480	L	98.3	Very high	96.1	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.131	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-36.4	179	-70.8	-176.6	0	0	0	111.8	A331 E335 I476 L483 K484	A331-L480 HydrophobicContact CB-CD1 4.25Å; A331-L480 HydrophobicContact CB-CD2 4.49Å; E335-L480 HydrophobicContact CB-CD2 4.01Å; E335-L480 HydrophobicContact CG-CD2 4.15Å; I476-L480 HydrophobicContact CG2-CD1 3.98Å; I476-L480 HydrophobicContact CG2-CG 4.12Å; I476-L480 WeakPolarHBondContact O-CB 3.31Å; I476-L480 WeakPolarHBondContact O-CG 3.42Å; I476-L480 PolarHBondContact O-N 2.91Å; L480-L483 PolarHBondContact O-N 2.77Å; L480-K484 WeakPolarHBondContact O-CB 3.44Å; L480-K484 VanDerWaalsContact O-CG 3.23Å; L480-K484 WeakPolarHBondContact O-CG 3.47Å; L480-K484 PolarHBondContact O-N 2.86Å
481	K	97.9	Very high	95	Very high	137 Å²	137	52.7 Å²	52.7	60%	0.596	28%	0.284	S	S	*	.	H	α-helix	trans	-59.9	-52	175.5	-178	-177.2	178	-174.5	0	111.3	P477 S478 F479 L483 K484 D485	P477-K481 WeakPolarHBondContact O-CB 3.32Å; P477-K481 PolarHBondContact O-N 3.16Å; S478-K481 PolarHBondContact O-N 2.73Å; F479-K481 VanDerWaalsContact C-N 3.28Å; F479-K481 PolarHBondContact O-N 3.06Å; K481-L483 VanDerWaalsContact C-N 3.28Å; K481-L483 PolarHBondContact O-N 3.04Å; K481-K484 PolarHBondContact O-N 2.76Å; K481-D485 WeakPolarHBondContact O-CB 3.09Å; K481-D485 PolarHBondContact O-N 3.38Å
482	V	97.8	Very high	93.5	Very high	51 Å²	51	56.4 Å²	56.4	31%	0.309	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-42.8	178	169.8	0	0	0	0	110.9	I413 F414 W415 S478 F479 D485 G486	I413-V482 HydrophobicContact CG2-CG1 4.08Å; F414-V482 WeakPolarHBondContact O-CG1 3.5Å; W415-V482 HydrophobicContact CB-CG1 4.45Å; S478-V482 WeakPolarHBondContact O-CG2 3.36Å; S478-V482 PolarHBondContact O-N 3.29Å; F479-V482 PolarHBondContact O-N 3.04Å; V482-D485 PolarHBondContact O-N 3.45Å; V482-G486 PolarHBondContact O-N 2.84Å
483	L	97.4	Very high	91.6	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-66.8	-44.9	-179.6	-171.5	55.5	0	0	0	112.1	L332 F336 M362 V384 I413 F479 L480 K481 D485 G486 M487	L332-L483 HydrophobicContact CD2-CD2 3.6Å; F336-L483 HydrophobicContact CD2-CD2 4.5Å; F336-L483 HydrophobicContact CE2-CD2 3.4Å; F336-L483 VanDerWaalsContact CE2-CD2 3.4Å; F336-L483 HydrophobicContact CE2-CG 3.94Å; F336-L483 HydrophobicContact CZ-CD2 3.72Å; F336-L483 HydrophobicContact CZ-CG 3.7Å; M362-L483 HydrophobicContact CE-CD1 4.16Å; M362-L483 HydrophobicContact CE-CD2 4.41Å; M362-L483 HydrophobicContact SD-CD1 4.27Å; M362-L483 HydrophobicContact SD-CD2 4.16Å; V384-L483 HydrophobicContact CG1-CD1 4.2Å; V384-L483 HydrophobicContact CG2-CD1 3.51Å; I413-L483 HydrophobicContact CD1-CD1 3.71Å; I413-L483 HydrophobicContact CG2-CD1 4.4Å; F479-L483 HydrophobicContact CE1-CD2 3.88Å; F479-L483 HydrophobicContact CZ-CD2 3.85Å; F479-L483 WeakPolarHBondContact O-CB 3.3Å; F479-L483 PolarHBondContact O-N 2.79Å; L480-L483 PolarHBondContact O-N 2.77Å; K481-L483 VanDerWaalsContact C-N 3.28Å; K481-L483 PolarHBondContact O-N 3.04Å; L483-D485 PolarHBondContact O-N 2.86Å; L483-G486 PolarHBondContact O-N 2.9Å; L483-M487 HydrophobicContact CD1-CG 4.36Å; L483-M487 WeakPolarHBondContact O-CB 3.05Å; L483-M487 WeakPolarHBondContact O-CG 3.14Å; L483-M487 PolarHBondContact O-N 3.15Å
484	K	96.2	Very high	89.3	Confident	85 Å²	85	66.3 Å²	66.3	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-59.9	-45.8	174.7	-72.8	179.4	-148.1	-135	0	111.8	E335 L480 K481 M487 K488	E335-K484 WeakPolarHBondContact OE1-CD 3.31Å; E335-K484 WeakPolarHBondContact OE1-CE 3.37Å; E335-K484 IonicContact OE1-NZ 3.42Å; E335-K484 PolarHBondContact OE1-NZ 2.89Å; E335-K484 WeakPolarHBondContact OE2-CE 3.08Å; E335-K484 IonicContact OE2-NZ 3.12Å; E335-K484 PolarHBondContact OE2-NZ 3.23Å; L480-K484 WeakPolarHBondContact O-CB 3.44Å; L480-K484 VanDerWaalsContact O-CG 3.23Å; L480-K484 WeakPolarHBondContact O-CG 3.47Å; L480-K484 PolarHBondContact O-N 2.86Å; K481-K484 PolarHBondContact O-N 2.76Å; K484-M487 PolarHBondContact O-N 2.02Å; K484-K488 WeakPolarHBondContact O-CG 3.32Å; K484-K488 PolarHBondContact O-N 2.8Å
485	D	95.9	Very high	86.7	Confident	76 Å²	76	76 Å²	76	41%	0.406	40%	0.397	S	S	.	.	H	α-helix	trans	-67	-41.7	-179.9	-72.5	-23.7	0	0	0	111.4	K481 V482 L483 M487 K488	K481-D485 WeakPolarHBondContact O-CB 3.09Å; K481-D485 PolarHBondContact O-N 3.38Å; V482-D485 PolarHBondContact O-N 3.45Å; L483-D485 PolarHBondContact O-N 2.86Å; D485-M487 VanDerWaalsContact C-N 3.33Å; D485-M487 PolarHBondContact O-N 3.46Å; D485-K488 WeakPolarHBondContact O-CB 3.36Å; D485-K488 PolarHBondContact O-N 3.15Å; D485-K488 IonicContact OD1-NZ 2.65Å; D485-K488 PolarHBondContact OD1-NZ 3.16Å
486	G	94.3	Very high	84.1	Confident	14 Å²	14	80 Å²	80	14%	0.144	42%	0.422	C	S	.	.	H	α-helix	trans	-63.1	-37.1	173.6	0	0	0	0	0	112.6	H411 V482 L483 K488 S489	H411-G486 PolarHBondContact NE2-O 3.36Å; V482-G486 PolarHBondContact O-N 2.84Å; L483-G486 PolarHBondContact O-N 2.9Å; G486-K488 VanDerWaalsContact C-N 3.28Å; G486-K488 PolarHBondContact O-N 2.75Å; G486-S489 PolarHBondContact O-N 3.41Å; G486-S489 PolarHBondContact O-OG 3.45Å
487	M	93.4	Very high	81.5	Confident	52 Å²	52	88.3 Å²	88.3	26%	0.256	46%	0.458	S	S	.	.	H	α-helix	trans	-68.9	-24.1	178.3	-73.5	-65.5	-72.8	0	0	113.1	F336 M362 T382 I413 L483 K484 D485 S489 K490	F336-M487 HydrophobicContact CE1-CE 4.43Å; F336-M487 HydrophobicContact CE1-CG 4.13Å; F336-M487 HydrophobicContact CZ-CG 4.36Å; M362-M487 HydrophobicContact CE-CE 4.45Å; M362-M487 HydrophobicContact CE-SD 4.18Å; T382-M487 HydrophobicContact CG2-SD 4.11Å; I413-M487 HydrophobicContact CD1-CG 4.15Å; I413-M487 HydrophobicContact CD1-SD 4.17Å; L483-M487 HydrophobicContact CD1-CG 4.36Å; L483-M487 WeakPolarHBondContact O-CB 3.05Å; L483-M487 WeakPolarHBondContact O-CG 3.14Å; L483-M487 PolarHBondContact O-N 3.15Å; K484-M487 PolarHBondContact O-N 2.02Å; D485-M487 VanDerWaalsContact C-N 3.33Å; D485-M487 PolarHBondContact O-N 3.46Å; M487-S489 VanDerWaalsContact C-N 3.27Å; M487-S489 PolarHBondContact O-N 2.84Å; M487-K490 HydrophobicContact CE-CD 3.92Å; M487-K490 VanDerWaalsContact O-CB 3.24Å; M487-K490 WeakPolarHBondContact O-CB 3.23Å; M487-K490 PolarHBondContact O-N 2.9Å; M487-K490 HydrophobicContact SD-CD 4.19Å
488	K	91.3	Very high	78.9	Confident	161 Å²	161	90.9 Å²	90.9	70%	0.7	47%	0.465	S	S	*	.	H	α-helix	trans	-66.3	-27.8	174	-66.6	167.3	-170.3	162.5	0	112.9	K484 D485 G486 K490	K484-K488 WeakPolarHBondContact O-CG 3.32Å; K484-K488 PolarHBondContact O-N 2.8Å; D485-K488 WeakPolarHBondContact O-CB 3.36Å; D485-K488 PolarHBondContact O-N 3.15Å; D485-K488 IonicContact OD1-NZ 2.65Å; D485-K488 PolarHBondContact OD1-NZ 3.16Å; G486-K488 VanDerWaalsContact C-N 3.28Å; G486-K488 PolarHBondContact O-N 2.75Å; K488-K490 VanDerWaalsContact C-N 3.33Å
489	S	86.1	Confident	76.5	Confident	82 Å²	82	93.2 Å²	93.2	57%	0.573	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.4	178.7	67.4	0	0	0	0	113.3	H411 G486 M487 P491	H411-S489 PolarHBondContact CE1-OG 3.4Å; G486-S489 PolarHBondContact O-N 3.41Å; G486-S489 PolarHBondContact O-OG 3.45Å; M487-S489 VanDerWaalsContact C-N 3.27Å; M487-S489 PolarHBondContact O-N 2.84Å; S489-P491 VanDerWaalsContact O-CD 3.26Å; S489-P491 WeakPolarHBondContact O-CD 3.29Å; S489-P491 VanDerWaalsContact O-N 3.14Å
490	K	86.3	Confident	74.5	Confident	71 Å²	71	98.4 Å²	98.4	31%	0.309	52%	0.518	S	S	.	.			trans	-60.1	114.2	179.9	-174	169.5	-179.7	166.6	0	110	G380 T382 H411 M487 K488 S492	G380-K490 WeakPolarHBondContact O-CE 3.4Å; G380-K490 PolarHBondContact O-NZ 3.39Å; T382-K490 PolarHBondContact OG1-NZ 2.79Å; H411-K490 HydrophobicContact CB-CG 4.18Å; M487-K490 HydrophobicContact CE-CD 3.92Å; M487-K490 VanDerWaalsContact O-CB 3.24Å; M487-K490 WeakPolarHBondContact O-CB 3.23Å; M487-K490 PolarHBondContact O-N 2.9Å; M487-K490 HydrophobicContact SD-CD 4.19Å; K488-K490 VanDerWaalsContact C-N 3.33Å; K490-S492 PolarHBondContact O-N 3.49Å
491	P	74.4	Confident	73	Confident	96 Å²	96	101.4 Å²	101.4	62%	0.623	54%	0.538	S	S	*	.			trans	-66.6	137	-179	24.6	-30.5	0	0	0	110.1	S489 L493	S489-P491 VanDerWaalsContact O-CD 3.26Å; S489-P491 WeakPolarHBondContact O-CD 3.29Å; S489-P491 VanDerWaalsContact O-N 3.14Å; P491-L493 PolarHBondContact O-N 3.33Å
492	S	65.1	Low	72	Confident	83 Å²	83	98 Å²	98	58%	0.58	53%	0.528	S	S	*	.			trans	-63.4	128.1	170.2	62.6	0	0	0	0	108.8	K490 K494	K490-S492 PolarHBondContact O-N 3.49Å; S492-K494 PolarHBondContact O-N 2.96Å
493	L	59.7	Low	71.5	Confident	107 Å²	107	100.2 Å²	100.2	56%	0.56	54%	0.535	S	S	*	.			trans	-64.1	56.9	169	-78	164.2	0	0	0	111.1	R379 D409 P491 K495	R379-L493 HydrophobicContact CB-CD2 4.19Å; D409-L493 HydrophobicContact CB-CD2 4.26Å; P491-L493 PolarHBondContact O-N 3.33Å; L493-K495 PolarHBondContact O-N 2.73Å
494	K	50	Low	71.1	Confident	165 Å²	165	100.4 Å²	100.4	72%	0.717	54%	0.536	S	S	*	.			trans	-75.6	113	166.1	-75.4	-178.8	-178.1	179.8	0	105.3	S492 T496	S492-K494 PolarHBondContact O-N 2.96Å; K494-T496 PolarHBondContact O-N 2.85Å
495	K	44.6	Very low	70.8	Confident	207 Å²	207	97.1 Å²	97.1	90%	0.9	53%	0.527	S	S	*	.			trans	-20.8	95.4	175.3	-75.5	-177	176.7	-179.5	0	110.1	L493 K497	L493-K495 PolarHBondContact O-N 2.73Å; K495-K497 PolarHBondContact O-N 2.96Å
496	T	43.2	Very low	70.7	Confident	114 Å²	114	98.8 Å²	98.8	70%	0.699	53%	0.527	S	S	*	.			trans	-64.7	98.1	177	-43.5	0	0	0	0	104.1	K494 I498	K494-T496 PolarHBondContact O-N 2.85Å; T496-I498 PolarHBondContact O-N 3.48Å
497	K	43.5	Very low	70.6	Confident	190 Å²	190	98.3 Å²	98.3	83%	0.826	52%	0.522	S	S	*	.			trans	-51.7	117.6	172.4	-94.9	-175.9	174.2	179.2	0	104.7	K495 A499	K495-K497 PolarHBondContact O-N 2.96Å; K497-A499 VanDerWaalsContact C-N 3.34Å; K497-A499 PolarHBondContact O-N 3.39Å
498	I	44.9	Very low	70.6	Confident	152 Å²	152	100.9 Å²	100.9	78%	0.779	53%	0.528	S	S	*	.			trans	-47.2	107.4	173.1	-62	169.6	0	0	0	105.3	T496 T500	T496-I498 PolarHBondContact O-N 3.48Å; I498-T500 HydrophobicContact CG2-CG2 4.13Å; I498-T500 PolarHBondContact O-N 2.77Å
499	A	48.1	Very low	70.7	Confident	87 Å²	87	99.6 Å²	99.6	72%	0.719	53%	0.525	S	S	*	.			trans	-74.2	85.3	178.8	0	0	0	0	0	105.4	K497 T501	K497-A499 VanDerWaalsContact C-N 3.34Å; K497-A499 PolarHBondContact O-N 3.39Å; A499-T501 VanDerWaalsContact C-N 3.28Å; A499-T501 PolarHBondContact O-N 2.86Å
500	T	56.8	Low	71	Confident	111 Å²	111	96.7 Å²	96.7	68%	0.681	51%	0.506	S	S	*	.			trans	-65.9	96.1	167.9	46.8	0	0	0	0	106.6	I498 V502	I498-T500 HydrophobicContact CG2-CG2 4.13Å; I498-T500 PolarHBondContact O-N 2.77Å; T500-V502 PolarHBondContact O-N 2.87Å
501	T	66.7	Low	71.4	Confident	88 Å²	88	97.7 Å²	97.7	54%	0.54	51%	0.512	S	S	.	.			trans	-68.6	110	171.8	-59.5	0	0	0	0	107.7	A499 L590	A499-T501 VanDerWaalsContact C-N 3.28Å; A499-T501 PolarHBondContact O-N 2.86Å; T501-L590 HydrophobicContact CG2-CD1 3.94Å; T501-L590 HydrophobicContact CG2-CD2 3.47Å; T501-L590 VanDerWaalsContact CG2-CD2 3.47Å; T501-L590 HydrophobicContact CG2-CG 4.37Å
502	V	77	Confident	72.3	Confident	65 Å²	65	94.9 Å²	94.9	39%	0.394	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-101.8	127.4	179.2	-171.6	0	0	0	0	109.5	T500 L537	T500-V502 PolarHBondContact O-N 2.87Å; V502-L537 HydrophobicContact CB-CD1 4.38Å; V502-L537 HydrophobicContact CB-CD2 3.95Å; V502-L537 HydrophobicContact CG1-CD1 3.8Å; V502-L537 HydrophobicContact CG1-CD2 3.73Å; V502-L537 HydrophobicContact CG1-CG 4.42Å; V502-L537 HydrophobicContact CG2-CD2 4.24Å
503	H	86.3	Confident	73.6	Confident	98 Å²	98	96.9 Å²	96.9	45%	0.454	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-89.8	154.1	-179.1	-70.2	-98.6	0	0	0	112.4	N533 L591	H503-N533 PolarHBondContact O-ND2 2.9Å; H503-L591 PolarHBondContact ND1-O 2.88Å
504	P	89.1	Confident	75	Confident	4 Å²	4	94.6 Å²	94.6	3%	0.026	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-61.4	142.5	170.3	-6	15.5	0	0	0	111.4	P531 C584 F586 L590 G592 P593	P504-P531 HydrophobicContact CB-CG 4.46Å; P504-C584 HydrophobicContact CB-CB 3.77Å; P504-C584 HydrophobicContact CG-CB 4.38Å; P504-F586 HydrophobicContact CB-CD1 4.03Å; P504-F586 HydrophobicContact CB-CD2 4.1Å; P504-F586 HydrophobicContact CB-CE1 3.59Å; P504-F586 HydrophobicContact CB-CE2 3.68Å; P504-F586 HydrophobicContact CB-CG 4.26Å; P504-F586 HydrophobicContact CB-CZ 3.42Å; P504-F586 VanDerWaalsContact CB-CZ 3.42Å; P504-F586 HydrophobicContact CG-CB 4.31Å; P504-F586 HydrophobicContact CG-CD1 3.71Å; P504-F586 HydrophobicContact CG-CD2 3.63Å; P504-F586 HydrophobicContact CG-CE1 3.84Å; P504-F586 HydrophobicContact CG-CE2 3.77Å; P504-F586 HydrophobicContact CG-CG 3.61Å; P504-F586 HydrophobicContact CG-CZ 3.88Å; P504-F586 VanDerWaalsContact N-CE2 3.32Å; P504-L590 WeakPolarHBondContact CD-O 3.34Å; P504-L590 VanDerWaalsContact CG-O 3.31Å; P504-L590 WeakPolarHBondContact CG-O 3.38Å; P504-G592 VanDerWaalsContact O-CA 3.28Å; P504-G592 WeakPolarHBondContact O-CA 3.12Å; P504-P593 VanDerWaalsContact O-CD 3.29Å; P504-P593 WeakPolarHBondContact O-CD 3.22Å
505	G	89.7	Confident	76.8	Confident	17 Å²	17	89.2 Å²	89.2	18%	0.175	47%	0.468	C	S	.	.			trans	-71.5	177.7	164	0	0	0	0	0	111.7	P531 N533	G505-P531 WeakPolarHBondContact O-CB 3.46Å; G505-P531 WeakPolarHBondContact O-CG 3.35Å; G505-N533 PolarHBondContact N-ND2 2.95Å; G505-N533 PolarHBondContact N-OD1 2.85Å
506	R	93.6	Very high	78.7	Confident	110 Å²	110	82.2 Å²	82.2	42%	0.415	44%	0.442	S	S	.	.			trans	-62.8	142.1	171.7	-166.8	-174.6	-88.6	-171.9	-0.9	110.7	P531 P593 F594 A595 D596	R506-P531 WeakPolarHBondContact O-CA 3.47Å; R506-P593 HydrophobicContact CB-CG 4.01Å; R506-F594 PolarHBondContact NE-O 2.81Å; R506-F594 VanDerWaalsContact NE-O 3.1Å; R506-A595 VanDerWaalsContact CG-CA 3.49Å; R506-A595 HydrophobicContact CG-CB 3.96Å; R506-D596 IonicContact CZ-OD1 2.8Å; R506-D596 IonicContact NH1-OD1 2.66Å; R506-D596 PolarHBondContact NH1-OD1 2.96Å; R506-D596 IonicContact NH1-OD2 3.16Å; R506-D596 PolarHBondContact NH1-OD2 2.86Å; R506-D596 IonicContact NH2-OD1 3.62Å
507	V	93.1	Very high	80.1	Confident	4 Å²	4	81.9 Å²	81.9	2%	0.024	43%	0.433	C	S	.	.			trans	-65.6	150.1	166.9	-57.8	0	0	0	0	109.6	W528 Q529 P531 Y544 V582 C584 A595	V507-W528 HydrophobicContact CB-CB 4.23Å; V507-W528 HydrophobicContact CB-CG 4.16Å; V507-W528 HydrophobicContact CG1-CG 4.45Å; V507-W528 HydrophobicContact CG2-CB 4.17Å; V507-W528 HydrophobicContact CG2-CG 4.23Å; V507-Q529 WeakPolarHBondContact CA-O 3.25Å; V507-Q529 WeakPolarHBondContact CB-O 3.45Å; V507-P531 HydrophobicContact CG1-CG 4.36Å; V507-Y544 HydrophobicContact CG1-CD1 3.9Å; V507-Y544 HydrophobicContact CG1-CE1 3.9Å; V507-V582 HydrophobicContact CG1-CG1 4.35Å; V507-V582 HydrophobicContact CG2-CB 3.92Å; V507-V582 HydrophobicContact CG2-CG1 3.86Å; V507-C584 HydrophobicContact CG1-CB 4.01Å; V507-A595 HydrophobicContact CG2-CB 3.51Å
508	R	93.6	Very high	81.6	Confident	106 Å²	106	75.7 Å²	75.7	40%	0.4	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	155.1	-172.3	-58.8	-173.4	-59.6	153	15.8	110.7	A510 Q529	R508-A510 PolarHBondContact O-N 2.83Å; R508-A510 VanDerWaalsContact O-N 3.13Å; R508-Q529 HydrophobicContact CB-CB 4.14Å; R508-Q529 PolarHBondContact N-O 2.94Å; R508-Q529 VanDerWaalsContact NH2-OE1 3.08Å; R508-Q529 WeakPolarHBondContact O-CB 3.45Å; R508-Q529 PolarHBondContact O-N 2.94Å
509	E	92.9	Very high	82.9	Confident	134 Å²	134	73.6 Å²	73.6	63%	0.626	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.8	45.3	172.8	-61.1	176.3	-148.9	0	0	112.4	H511 Q529	E509-H511 PolarHBondContact O-CD2 2.92Å; E509-Q529 HydrophobicContact CB-CG 4.28Å; E509-Q529 PolarHBondContact OE1-NE2 2.81Å; E509-Q529 PolarHBondContact OE2-NE2 2.76Å
510	A	92.8	Very high	84.1	Confident	22 Å²	22	76.2 Å²	76.2	18%	0.182	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.6	176.3	0	0	0	0	0	108.8	R508 S527 W528 L598	R508-A510 PolarHBondContact O-N 2.83Å; R508-A510 VanDerWaalsContact O-N 3.13Å; A510-S527 CarbonylContact C-O 3.59Å; A510-S527 WeakPolarHBondContact CA-O 3.18Å; A510-W528 HydrophobicContact CB-CB 3.98Å; A510-L598 HydrophobicContact CB-CD1 3.88Å; A510-L598 HydrophobicContact CB-CD2 4.1Å; A510-L598 HydrophobicContact CB-CG 4.28Å; A510-L598 WeakPolarHBondContact O-CD2 3.33Å
511	H	94.3	Very high	85.3	Confident	91 Å²	91	76.2 Å²	76.2	42%	0.421	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.2	178.5	61.2	82.6	0	0	0	110.4	E509 S527	E509-H511 PolarHBondContact O-CD2 2.92Å; H511-S527 PolarHBondContact CE1-OG 3.46Å; H511-S527 PolarHBondContact N-O 2.84Å; H511-S527 PolarHBondContact ND1-OG 2.74Å; H511-S527 PolarHBondContact NE2-OG 2.78Å; H511-S527 PolarHBondContact O-N 3.33Å
512	C	93.6	Very high	86.4	Confident	37 Å²	37	72.1 Å²	72.1	25%	0.25	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.4	176.6	55.5	0	0	0	0	112.1	L524 T525 V526 C600	C512-L524 HydrophobicContact CB-CD1 3.87Å; C512-T525 CarbonylContact C-O 3.59Å; C512-T525 WeakPolarHBondContact CA-O 3.33Å; C512-T525 WeakPolarHBondContact CB-O 3.34Å; C512-V526 HydrophobicContact CB-CG2 4.3Å; C512-C600 HydrophobicContact CB-CB 3.92Å; C512-C600 WeakPolarHBondContact CB-SG 3.38Å; C512-C600 VanDerWaalsContact SG-CA 3.54Å; C512-C600 WeakPolarHBondContact SG-CB 3.45Å; C512-C600 CovalentContact SG-SG 2.02Å; C512-C600 PolarHBondContact SG-SG 2.97Å
513	Q	92.1	Very high	87.1	Confident	126 Å²	126	72 Å²	72	59%	0.589	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.1	175.6	-67.9	179.4	-10.6	0	0	108.1	T525	Q513-T525 PolarHBondContact N-O 2.93Å; Q513-T525 PolarHBondContact O-N 3.16Å
514	T	89.8	Confident	87.5	Confident	59 Å²	59	67.3 Å²	67.3	36%	0.362	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.1	-177.9	54.7	0	0	0	0	110.7	K523 L524 R601 T602	T514-K523 WeakPolarHBondContact CA-O 3.39Å; T514-L524 HydrophobicContact CG2-CD1 3.61Å; T514-R601 WeakPolarHBondContact CB-O 3.03Å; T514-R601 WeakPolarHBondContact CG2-O 3.34Å; T514-R601 PolarHBondContact OG1-O 3.1Å; T514-T602 HydrophobicContact CG2-CG2 3.66Å
515	S	88.1	Confident	87.7	Confident	51 Å²	51	68.3 Å²	68.3	36%	0.357	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	127.9	173.1	67.6	0	0	0	0	110.2	A522 K523	S515-A522 WeakPolarHBondContact O-CA 3.48Å; S515-K523 PolarHBondContact N-O 2.81Å; S515-K523 PolarHBondContact O-N 3.48Å
516	V	83.7	Confident	88	Confident	61 Å²	61	67.5 Å²	67.5	37%	0.37	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.4	170.5	-176.9	0	0	0	0	107.9	T518 A522 P574 T602	V516-T518 VanDerWaalsContact CG1-O 3.24Å; V516-T518 WeakPolarHBondContact CG1-O 3.16Å; V516-A522 HydrophobicContact CG2-CB 4.48Å; V516-P574 HydrophobicContact CG1-CB 4.16Å; V516-P574 HydrophobicContact CG2-CB 4.39Å; V516-T602 WeakPolarHBondContact CG2-OXT 3.24Å
517	Q	72.5	Confident	88.1	Confident	107 Å²	107	63.1 Å²	63.1	50%	0.5	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-36.6	-179	-58.8	-160.3	-29.6	0	0	111.2	E521 K523	Q517-E521 PolarHBondContact N-O 2.96Å; Q517-K523 VanDerWaalsContact NE2-NZ 3.19Å; Q517-K523 VanDerWaalsContact OE1-CE 3.29Å
518	T	75.3	Confident	88.3	Confident	60 Å²	60	63.5 Å²	63.5	37%	0.368	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	169.3	175.3	69.9	0	0	0	0	109.7	V516 N520 E521	V516-T518 VanDerWaalsContact CG1-O 3.24Å; V516-T518 WeakPolarHBondContact CG1-O 3.16Å; T518-N520 PolarHBondContact O-N 3.25Å; T518-N520 PolarHBondContact OG1-N 3.29Å; T518-E521 PolarHBondContact N-O 2.81Å; T518-E521 PolarHBondContact O-N 3.35Å; T518-E521 VanDerWaalsContact O-N 3.16Å; T518-E521 WeakPolarHBondContact OG1-CB 3.37Å; T518-E521 PolarHBondContact OG1-N 3Å
519	P	72	Confident	88.3	Confident	107 Å²	107	61.9 Å²	61.9	70%	0.695	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-14.5	176.9	-24.5	34.6	0	0	0	115.1	P574	P519-P574 VanDerWaalsContact O-CG 3.23Å; P519-P574 WeakPolarHBondContact O-CG 3.39Å
520	N	73.4	Confident	88.3	Confident	142 Å²	142	58.6 Å²	58.6	76%	0.759	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-2.9	-179.2	-69.1	-6.3	0	0	0	113.6	T518	T518-N520 PolarHBondContact O-N 3.25Å; T518-N520 PolarHBondContact OG1-N 3.29Å
521	E	82.3	Confident	88.3	Confident	111 Å²	111	57.6 Å²	57.6	52%	0.519	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.2	-176.1	-65	-179.3	173.2	0	0	111.8	Q517 T518	Q517-E521 PolarHBondContact N-O 2.96Å; T518-E521 PolarHBondContact N-O 2.81Å; T518-E521 PolarHBondContact O-N 3.35Å; T518-E521 VanDerWaalsContact O-N 3.16Å; T518-E521 WeakPolarHBondContact OG1-CB 3.37Å; T518-E521 PolarHBondContact OG1-N 3Å
522	A	89.6	Confident	88.1	Confident	2 Å²	2	60.5 Å²	60.5	2%	0.017	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.2	171.1	0	0	0	0	0	111.1	S515 V516 I572 P574 T602	S515-A522 WeakPolarHBondContact O-CA 3.48Å; V516-A522 HydrophobicContact CG2-CB 4.48Å; A522-I572 HydrophobicContact CB-CG2 4.06Å; A522-P574 HydrophobicContact CB-CB 4.1Å; A522-T602 HydrophobicContact CB-CG2 4.14Å
523	K	91.8	Very high	87.9	Confident	63 Å²	63	59.9 Å²	59.9	27%	0.274	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.9	174.2	-64.2	-176.6	177.3	163	0	109.8	T514 S515 Q517 T567 F568	T514-K523 WeakPolarHBondContact CA-O 3.39Å; S515-K523 PolarHBondContact N-O 2.81Å; S515-K523 PolarHBondContact O-N 3.48Å; Q517-K523 VanDerWaalsContact NE2-NZ 3.19Å; Q517-K523 VanDerWaalsContact OE1-CE 3.29Å; K523-T567 HydrophobicContact CB-CG2 3.84Å; K523-T567 HydrophobicContact CD-CG2 4.08Å; K523-T567 HydrophobicContact CG-CG2 4.31Å; K523-F568 WeakPolarHBondContact CA-O 3.44Å
524	L	94	Very high	87.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.6	175.1	172.5	61	0	0	0	108.1	C512 T514 V526 I548 T567 F568 I572 Y578 V580 C600 T602	C512-L524 HydrophobicContact CB-CD1 3.87Å; T514-L524 HydrophobicContact CG2-CD1 3.61Å; L524-V526 HydrophobicContact CD1-CG2 4.21Å; L524-V526 HydrophobicContact CD2-CG2 4.38Å; L524-V526 HydrophobicContact CG-CG2 3.94Å; L524-I548 HydrophobicContact CD2-CD1 4.24Å; L524-I548 HydrophobicContact CD2-CG2 4.24Å; L524-T567 WeakPolarHBondContact O-CA 3.3Å; L524-F568 PolarHBondContact N-O 3.34Å; L524-F568 WeakPolarHBondContact O-CD2 3.33Å; L524-F568 PolarHBondContact O-N 3.04Å; L524-I572 HydrophobicContact CB-CD1 4.34Å; L524-I572 HydrophobicContact CB-CG1 4.31Å; L524-I572 HydrophobicContact CB-CG2 4.07Å; L524-I572 HydrophobicContact CD2-CD1 4.29Å; L524-Y578 HydrophobicContact CD2-CG 4.47Å; L524-V580 HydrophobicContact CD2-CG2 4.05Å; L524-C600 HydrophobicContact CD1-CB 3.53Å; L524-T602 HydrophobicContact CB-CG2 4.41Å
525	T	94.8	Very high	87.5	Confident	25 Å²	25	59.4 Å²	59.4	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.4	173.6	-56.1	0	0	0	0	109	C512 Q513 N565 Y566 T567	C512-T525 CarbonylContact C-O 3.59Å; C512-T525 WeakPolarHBondContact CA-O 3.33Å; C512-T525 WeakPolarHBondContact CB-O 3.34Å; Q513-T525 PolarHBondContact N-O 2.93Å; Q513-T525 PolarHBondContact O-N 3.16Å; T525-N565 WeakPolarHBondContact CG2-OD1 3.19Å; T525-Y566 WeakPolarHBondContact CA-O 3.27Å; T525-T567 WeakPolarHBondContact OG1-CG2 3.31Å; T525-T567 PolarHBondContact OG1-OG1 3.14Å
526	V	95.5	Very high	87.3	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.3	179.2	-171.9	0	0	0	0	108.3	C512 L524 W528 N565 Y566 F568 V580 V582 L598	C512-V526 HydrophobicContact CB-CG2 4.3Å; L524-V526 HydrophobicContact CD1-CG2 4.21Å; L524-V526 HydrophobicContact CD2-CG2 4.38Å; L524-V526 HydrophobicContact CG-CG2 3.94Å; V526-W528 HydrophobicContact CB-CZ3 4.21Å; V526-W528 HydrophobicContact CG1-CE3 3.99Å; V526-W528 HydrophobicContact CG1-CZ3 3.88Å; V526-N565 WeakPolarHBondContact O-CA 3.34Å; V526-Y566 PolarHBondContact N-O 3.42Å; V526-Y566 PolarHBondContact O-N 2.87Å; V526-F568 HydrophobicContact CB-CE2 4.21Å; V526-F568 HydrophobicContact CG2-CD2 4.16Å; V526-F568 HydrophobicContact CG2-CE2 3.87Å; V526-V580 HydrophobicContact CG1-CG1 4.14Å; V526-V580 HydrophobicContact CG2-CG1 4.18Å; V526-V582 HydrophobicContact CG1-CG2 4.18Å; V526-L598 HydrophobicContact CG1-CD1 4.02Å
527	S	95.8	Very high	87.3	Confident	17 Å²	17	63.8 Å²	63.8	12%	0.119	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.2	176.7	55.6	0	0	0	0	113.2	A510 H511 Q564	A510-S527 CarbonylContact C-O 3.59Å; A510-S527 WeakPolarHBondContact CA-O 3.18Å; H511-S527 PolarHBondContact CE1-OG 3.46Å; H511-S527 PolarHBondContact N-O 2.84Å; H511-S527 PolarHBondContact ND1-OG 2.74Å; H511-S527 PolarHBondContact NE2-OG 2.78Å; H511-S527 PolarHBondContact O-N 3.33Å; S527-Q564 CarbonylContact C-O 3.49Å; S527-Q564 WeakPolarHBondContact CA-O 3.5Å; S527-Q564 WeakPolarHBondContact CB-O 3.17Å
528	W	96	Very high	87.5	Confident	13 Å²	13	69 Å²	69	5%	0.049	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	167.3	-176.1	54.6	91.7	0	0	0	111.8	V507 A510 V526 Y544 V546 L561 Q563 Q564 V582	V507-W528 HydrophobicContact CB-CB 4.23Å; V507-W528 HydrophobicContact CB-CG 4.16Å; V507-W528 HydrophobicContact CG1-CG 4.45Å; V507-W528 HydrophobicContact CG2-CB 4.17Å; V507-W528 HydrophobicContact CG2-CG 4.23Å; A510-W528 HydrophobicContact CB-CB 3.98Å; V526-W528 HydrophobicContact CB-CZ3 4.21Å; V526-W528 HydrophobicContact CG1-CE3 3.99Å; V526-W528 HydrophobicContact CG1-CZ3 3.88Å; W528-Y544 AromaticContact CD1-CE1 3.94Å; W528-Y544 AromaticContact CE2-CD1 3.82Å; W528-Y544 AromaticContact CE2-CG 3.71Å; W528-Y544 VanDerWaalsContact CZ2-CB 3.47Å; W528-Y544 HydrophobicContact CZ2-CD1 4.11Å; W528-Y544 AromaticContact CZ2-CD2 3.83Å; W528-Y544 HydrophobicContact CZ2-CD2 3.83Å; W528-Y544 AromaticContact CZ2-CG 3.51Å; W528-Y544 HydrophobicContact CZ2-CG 3.51Å; W528-Y544 AromaticContact NE1-CD1 3.07Å; W528-Y544 AromaticContact NE1-CD2 3.79Å; W528-Y544 AromaticContact NE1-CE1 3.26Å; W528-Y544 VanDerWaalsContact NE1-CE1 3.26Å; W528-Y544 AromaticContact NE1-CE2 3.97Å; W528-Y544 AromaticContact NE1-CG 3.37Å; W528-Y544 AromaticContact NE1-CZ 3.72Å; W528-V546 HydrophobicContact CH2-CG2 3.65Å; W528-V546 HydrophobicContact CZ2-CG2 4.39Å; W528-V546 HydrophobicContact CZ3-CG2 3.99Å; W528-L561 HydrophobicContact CH2-CD1 3.95Å; W528-Q563 VanDerWaalsContact CZ2-O 3.23Å; W528-Q563 WeakPolarHBondContact CZ2-O 3.26Å; W528-Q564 PolarHBondContact N-O 3.3Å; W528-Q564 WeakPolarHBondContact O-CB 3.33Å; W528-V582 HydrophobicContact CD2-CG1 3.65Å; W528-V582 HydrophobicContact CE3-CB 4.49Å; W528-V582 HydrophobicContact CE3-CG1 3.88Å; W528-V582 HydrophobicContact CE3-CG2 3.99Å; W528-V582 HydrophobicContact CG-CG1 4.15Å; W528-V582 HydrophobicContact CH2-CG1 4.25Å; W528-V582 HydrophobicContact CZ2-CG1 4.01Å; W528-V582 HydrophobicContact CZ3-CG1 4.17Å; W528-V582 HydrophobicContact CZ3-CG2 4.18Å
529	Q	94.4	Very high	87.7	Confident	71 Å²	71	67.8 Å²	67.8	33%	0.332	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	152.3	166.8	-64.9	-173.7	7.4	0	0	111.8	V507 R508 E509	V507-Q529 WeakPolarHBondContact CA-O 3.25Å; V507-Q529 WeakPolarHBondContact CB-O 3.45Å; R508-Q529 HydrophobicContact CB-CB 4.14Å; R508-Q529 PolarHBondContact N-O 2.94Å; R508-Q529 VanDerWaalsContact NH2-OE1 3.08Å; R508-Q529 WeakPolarHBondContact O-CB 3.45Å; R508-Q529 PolarHBondContact O-N 2.94Å; E509-Q529 HydrophobicContact CB-CG 4.28Å; E509-Q529 PolarHBondContact OE1-NE2 2.81Å; E509-Q529 PolarHBondContact OE2-NE2 2.76Å
530	I	92.1	Very high	88	Confident	66 Å²	66	74.1 Å²	74.1	34%	0.338	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-63.2	154.9	176.5	65.8	174.6	0	0	0	112.4	W532 L534 Y544 Q564	I530-W532 PolarHBondContact O-N 2.84Å; I530-L534 HydrophobicContact CB-CD2 4.07Å; I530-L534 HydrophobicContact CD1-CD2 3.94Å; I530-L534 HydrophobicContact CG1-CD2 4.5Å; I530-L534 HydrophobicContact CG2-CD2 4.38Å; I530-Y544 VanDerWaalsContact CG2-OH 3.22Å; I530-Y544 WeakPolarHBondContact CG2-OH 3.44Å; I530-Q564 HydrophobicContact CG2-CG 3.96Å
531	P	92.8	Very high	88.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-58.3	136.5	171.4	-25.1	36.2	0	0	0	112.1	P504 G505 R506 V507 N533 L534 C584	P504-P531 HydrophobicContact CB-CG 4.46Å; G505-P531 WeakPolarHBondContact O-CB 3.46Å; G505-P531 WeakPolarHBondContact O-CG 3.35Å; R506-P531 WeakPolarHBondContact O-CA 3.47Å; V507-P531 HydrophobicContact CG1-CG 4.36Å; P531-N533 VanDerWaalsContact CB-OD1 3.25Å; P531-N533 WeakPolarHBondContact CB-OD1 3.29Å; P531-N533 PolarHBondContact O-N 3.32Å; P531-N533 VanDerWaalsContact O-N 3.17Å; P531-L534 VanDerWaalsContact O-CB 3.25Å; P531-L534 WeakPolarHBondContact O-CB 3.39Å; P531-L534 PolarHBondContact O-N 2.9Å; P531-L534 VanDerWaalsContact O-N 3.08Å; P531-C584 HydrophobicContact CG-CB 3.63Å
532	W	90.9	Very high	88.8	Confident	152 Å²	152	66.6 Å²	66.6	58%	0.576	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25.6	-175.9	73.9	-84.8	0	0	0	113.5	I530 L534 K535 Y536	I530-W532 PolarHBondContact O-N 2.84Å; W532-L534 VanDerWaalsContact C-N 3.3Å; W532-K535 WeakPolarHBondContact O-CE 3.17Å; W532-K535 WeakPolarHBondContact O-CG 3.32Å; W532-Y536 HydrophobicContact CE3-CD2 4.4Å; W532-Y536 AromaticContact CE3-CE2 3.79Å; W532-Y536 HydrophobicContact CE3-CE2 3.79Å; W532-Y536 HydrophobicContact CZ3-CD2 4.23Å; W532-Y536 AromaticContact CZ3-CE2 3.63Å; W532-Y536 HydrophobicContact CZ3-CE2 3.63Å
533	N	90.1	Very high	89	Confident	25 Å²	25	69.9 Å²	69.9	13%	0.134	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-75.9	-17.8	179.4	68.9	-32.9	0	0	0	112.7	H503 G505 P531 K535 Y536 L537	H503-N533 PolarHBondContact O-ND2 2.9Å; G505-N533 PolarHBondContact N-ND2 2.95Å; G505-N533 PolarHBondContact N-OD1 2.85Å; P531-N533 VanDerWaalsContact CB-OD1 3.25Å; P531-N533 WeakPolarHBondContact CB-OD1 3.29Å; P531-N533 PolarHBondContact O-N 3.32Å; P531-N533 VanDerWaalsContact O-N 3.17Å; N533-K535 PolarHBondContact O-N 3.23Å; N533-Y536 PolarHBondContact O-N 3.49Å; N533-L537 WeakPolarHBondContact O-CG 3.24Å
534	L	85.9	Confident	89.1	Confident	27 Å²	27	67 Å²	67	14%	0.141	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-57.5	-33.9	-179.6	-178.3	56.6	0	0	0	112.3	I530 P531 W532 Y536 L537 V539 V542 F586	I530-L534 HydrophobicContact CB-CD2 4.07Å; I530-L534 HydrophobicContact CD1-CD2 3.94Å; I530-L534 HydrophobicContact CG1-CD2 4.5Å; I530-L534 HydrophobicContact CG2-CD2 4.38Å; P531-L534 VanDerWaalsContact O-CB 3.25Å; P531-L534 WeakPolarHBondContact O-CB 3.39Å; P531-L534 PolarHBondContact O-N 2.9Å; P531-L534 VanDerWaalsContact O-N 3.08Å; W532-L534 VanDerWaalsContact C-N 3.3Å; L534-Y536 PolarHBondContact O-N 3Å; L534-L537 PolarHBondContact O-N 2.81Å; L534-L537 VanDerWaalsContact O-N 3.11Å; L534-V539 HydrophobicContact CD1-CB 3.88Å; L534-V539 HydrophobicContact CD1-CG2 3.61Å; L534-V542 HydrophobicContact CD1-CG2 3.89Å; L534-V542 HydrophobicContact CD2-CG1 4.36Å; L534-V542 HydrophobicContact CD2-CG2 4Å; L534-F586 HydrophobicContact CB-CZ 4.41Å; L534-F586 HydrophobicContact CD1-CD1 4.44Å; L534-F586 HydrophobicContact CD1-CE1 3.63Å; L534-F586 HydrophobicContact CD1-CZ 3.79Å
535	K	86.1	Confident	89.2	Confident	147 Å²	147	68.2 Å²	68.2	64%	0.639	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-66	-18.4	179.1	73	-169.7	171.4	164.2	0	114.4	W532 N533	W532-K535 WeakPolarHBondContact O-CE 3.17Å; W532-K535 WeakPolarHBondContact O-CG 3.32Å; N533-K535 PolarHBondContact O-N 3.23Å
536	Y	85	Confident	89.2	Confident	158 Å²	158	67 Å²	67	62%	0.62	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-98.7	-4.1	177.7	-56.5	-70	0	0	0	112.6	W532 N533 L534	W532-Y536 HydrophobicContact CE3-CD2 4.4Å; W532-Y536 AromaticContact CE3-CE2 3.79Å; W532-Y536 HydrophobicContact CE3-CE2 3.79Å; W532-Y536 HydrophobicContact CZ3-CD2 4.23Å; W532-Y536 AromaticContact CZ3-CE2 3.63Å; W532-Y536 HydrophobicContact CZ3-CE2 3.63Å; N533-Y536 PolarHBondContact O-N 3.49Å; L534-Y536 PolarHBondContact O-N 3Å
537	L	82.5	Confident	89.2	Confident	47 Å²	47	69.7 Å²	69.7	25%	0.246	30%	0.304	C	S	.	.	S	Bend	trans	-112.5	133.9	-172.5	-60.4	175.3	0	0	0	110.6	V502 N533 L534 V539 F586	V502-L537 HydrophobicContact CB-CD1 4.38Å; V502-L537 HydrophobicContact CB-CD2 3.95Å; V502-L537 HydrophobicContact CG1-CD1 3.8Å; V502-L537 HydrophobicContact CG1-CD2 3.73Å; V502-L537 HydrophobicContact CG1-CG 4.42Å; V502-L537 HydrophobicContact CG2-CD2 4.24Å; N533-L537 WeakPolarHBondContact O-CG 3.24Å; L534-L537 PolarHBondContact O-N 2.81Å; L534-L537 VanDerWaalsContact O-N 3.11Å; L537-V539 VanDerWaalsContact C-N 3.28Å; L537-V539 HydrophobicContact CB-CG2 3.68Å; L537-V539 PolarHBondContact O-N 2.02Å; L537-F586 HydrophobicContact CD1-CD2 4.39Å; L537-F586 HydrophobicContact CD1-CE2 3.46Å; L537-F586 VanDerWaalsContact CD1-CE2 3.46Å; L537-F586 HydrophobicContact CD1-CZ 4.08Å
538	K	78.3	Confident	89.2	Confident	216 Å²	216	68.9 Å²	68.9	94%	0.939	30%	0.299	S	S	*	.			trans	-82.3	74.7	173	-65.3	-173.6	179.8	-176.1	0	109.8
539	V	77.9	Confident	89.1	Confident	34 Å²	34	70.1 Å²	70.1	21%	0.206	31%	0.305	C	S	.	.			trans	-92.1	133.4	-179.3	-173.3	0	0	0	0	110.2	L534 L537 E541 V542 F586	L534-V539 HydrophobicContact CD1-CB 3.88Å; L534-V539 HydrophobicContact CD1-CG2 3.61Å; L537-V539 VanDerWaalsContact C-N 3.28Å; L537-V539 HydrophobicContact CB-CG2 3.68Å; L537-V539 PolarHBondContact O-N 2.02Å; V539-E541 VanDerWaalsContact CG1-O 3.24Å; V539-E541 WeakPolarHBondContact CG1-O 3.05Å; V539-V542 HydrophobicContact CB-CG2 4.3Å; V539-V542 HydrophobicContact CG1-CG2 3.76Å; V539-F586 HydrophobicContact CG1-CB 3.88Å; V539-F586 HydrophobicContact CG1-CD1 3.85Å; V539-F586 HydrophobicContact CG1-CG 3.87Å; V539-F586 HydrophobicContact CG2-CD1 4.17Å; V539-F586 HydrophobicContact CG2-CD2 3.92Å; V539-F586 HydrophobicContact CG2-CE1 4.28Å; V539-F586 HydrophobicContact CG2-CE2 4.04Å; V539-F586 HydrophobicContact CG2-CG 3.98Å; V539-F586 HydrophobicContact CG2-CZ 4.2Å
540	R	79	Confident	89	Confident	241 Å²	241	69.1 Å²	69.1	91%	0.909	30%	0.3	S	S	*	.	S	Bend	trans	-85.7	-34.7	-179.9	-68	-176.2	179.6	-177.1	-0.3	112.7	N587	R540-N587 PolarHBondContact N-OD1 2.99Å
541	E	83.6	Confident	89	Confident	58 Å²	58	71.7 Å²	71.7	27%	0.271	31%	0.311	S	S	.	.			trans	-140.9	129	-175.3	-172.1	-179.6	-178.4	0	0	109.8	V539 K543 N587 K588	V539-E541 VanDerWaalsContact CG1-O 3.24Å; V539-E541 WeakPolarHBondContact CG1-O 3.05Å; E541-K543 WeakPolarHBondContact OE1-CE 3.46Å; E541-K543 IonicContact OE1-NZ 2.63Å; E541-K543 PolarHBondContact OE1-NZ 2.77Å; E541-N587 PolarHBondContact O-N 3.34Å; E541-K588 WeakPolarHBondContact OE2-CE 3.49Å; E541-K588 VanDerWaalsContact OE2-CG 3.25Å; E541-K588 WeakPolarHBondContact OE2-CG 3Å
542	V	89.8	Confident	88.6	Confident	37 Å²	37	75.4 Å²	75.4	22%	0.224	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126	177	-177.5	0	0	0	0	108.4	L534 V539 Y544 I585 F586	L534-V542 HydrophobicContact CD1-CG2 3.89Å; L534-V542 HydrophobicContact CD2-CG1 4.36Å; L534-V542 HydrophobicContact CD2-CG2 4Å; V539-V542 HydrophobicContact CB-CG2 4.3Å; V539-V542 HydrophobicContact CG1-CG2 3.76Å; V542-Y544 HydrophobicContact CG1-CE1 4.34Å; V542-Y544 HydrophobicContact CG1-CE2 4.12Å; V542-Y544 WeakPolarHBondContact CG1-OH 3.3Å; V542-I585 WeakPolarHBondContact CA-O 3.44Å; V542-F586 HydrophobicContact CG2-CD1 4.23Å; V542-F586 HydrophobicContact CG2-CE1 4.39Å
543	K	93.6	Very high	88.5	Confident	71 Å²	71	72.9 Å²	72.9	31%	0.309	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	167.2	174	-72.7	177.7	170.9	161.1	0	109.6	E541 I560 L561 C584 I585	E541-K543 WeakPolarHBondContact OE1-CE 3.46Å; E541-K543 IonicContact OE1-NZ 2.63Å; E541-K543 PolarHBondContact OE1-NZ 2.77Å; K543-I560 HydrophobicContact CB-CG2 4.19Å; K543-I560 HydrophobicContact CD-CG2 3.91Å; K543-I560 HydrophobicContact CG-CG2 4.47Å; K543-L561 CarbonylContact C-O 3.56Å; K543-L561 WeakPolarHBondContact CA-O 3.22Å; K543-C584 CarbonylContact O-C 3.52Å; K543-I585 HydrophobicContact CB-CB 4.37Å; K543-I585 PolarHBondContact N-O 2.94Å; K543-I585 PolarHBondContact O-N 2.71Å
544	Y	93.8	Very high	88.2	Confident	2 Å²	2	79 Å²	79	1%	0.008	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.9	177.9	-56.3	-82.9	0	0	0	109.9	V507 W528 I530 V542 I560 L561 Q564 R583 C584	V507-Y544 HydrophobicContact CG1-CD1 3.9Å; V507-Y544 HydrophobicContact CG1-CE1 3.9Å; W528-Y544 AromaticContact CD1-CE1 3.94Å; W528-Y544 AromaticContact CE2-CD1 3.82Å; W528-Y544 AromaticContact CE2-CG 3.71Å; W528-Y544 VanDerWaalsContact CZ2-CB 3.47Å; W528-Y544 HydrophobicContact CZ2-CD1 4.11Å; W528-Y544 AromaticContact CZ2-CD2 3.83Å; W528-Y544 HydrophobicContact CZ2-CD2 3.83Å; W528-Y544 AromaticContact CZ2-CG 3.51Å; W528-Y544 HydrophobicContact CZ2-CG 3.51Å; W528-Y544 AromaticContact NE1-CD1 3.07Å; W528-Y544 AromaticContact NE1-CD2 3.79Å; W528-Y544 AromaticContact NE1-CE1 3.26Å; W528-Y544 VanDerWaalsContact NE1-CE1 3.26Å; W528-Y544 AromaticContact NE1-CE2 3.97Å; W528-Y544 AromaticContact NE1-CG 3.37Å; W528-Y544 AromaticContact NE1-CZ 3.72Å; I530-Y544 VanDerWaalsContact CG2-OH 3.22Å; I530-Y544 WeakPolarHBondContact CG2-OH 3.44Å; V542-Y544 HydrophobicContact CG1-CE1 4.34Å; V542-Y544 HydrophobicContact CG1-CE2 4.12Å; V542-Y544 WeakPolarHBondContact CG1-OH 3.3Å; Y544-I560 CarbonylContact O-C 3.47Å; Y544-I560 WeakPolarHBondContact O-CA 3.5Å; Y544-L561 PolarHBondContact N-O 2.9Å; Y544-L561 PolarHBondContact O-N 2.78Å; Y544-Q564 HydrophobicContact CE2-CG 3.93Å; Y544-R583 CarbonylContact C-O 3.53Å; Y544-R583 VanDerWaalsContact CA-O 3.23Å; Y544-R583 WeakPolarHBondContact CA-O 3.24Å; Y544-C584 HydrophobicContact CD1-CB 4.08Å; Y544-C584 HydrophobicContact CE1-CB 3.96Å
545	E	95.5	Very high	88.2	Confident	25 Å²	25	82.8 Å²	82.8	12%	0.117	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.4	171.2	-178.3	174.2	-173.3	0	0	109.1	W547 Y559 I560 V582 R583 I585	E545-W547 PolarHBondContact OE1-NE1 3.02Å; E545-Y559 CarbonylContact C-O 3.54Å; E545-Y559 VanDerWaalsContact CA-O 3.28Å; E545-Y559 WeakPolarHBondContact CA-O 3.28Å; E545-I560 HydrophobicContact CB-CD1 3.66Å; E545-I560 HydrophobicContact CG-CD1 3.73Å; E545-V582 CarbonylContact O-C 3.53Å; E545-V582 WeakPolarHBondContact O-CA 3.5Å; E545-R583 HydrophobicContact CB-CG 3.91Å; E545-R583 PolarHBondContact N-O 2.78Å; E545-R583 PolarHBondContact O-N 2.79Å; E545-R583 IonicContact OE1-NH2 2.72Å; E545-R583 PolarHBondContact OE1-NH2 3.42Å; E545-R583 IonicContact OE2-CZ 2.72Å; E545-R583 IonicContact OE2-NE 3.54Å; E545-R583 PolarHBondContact OE2-NE 2.83Å; E545-R583 IonicContact OE2-NH2 2.73Å; E545-R583 PolarHBondContact OE2-NH2 2.99Å; E545-I585 HydrophobicContact CB-CD1 3.99Å
546	V	95.2	Very high	88.4	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.7	-179.5	-177	0	0	0	0	108.8	W528 I548 P558 Y559 L561 F568 V580 W581 V582	W528-V546 HydrophobicContact CH2-CG2 3.65Å; W528-V546 HydrophobicContact CZ2-CG2 4.39Å; W528-V546 HydrophobicContact CZ3-CG2 3.99Å; V546-I548 HydrophobicContact CG1-CG1 4.12Å; V546-P558 CarbonylContact O-C 3.59Å; V546-P558 WeakPolarHBondContact O-CA 3.39Å; V546-Y559 PolarHBondContact N-O 2.77Å; V546-Y559 PolarHBondContact O-N 3.44Å; V546-L561 HydrophobicContact CB-CD1 4.44Å; V546-L561 HydrophobicContact CG2-CD1 3.77Å; V546-F568 HydrophobicContact CB-CZ 4.25Å; V546-F568 HydrophobicContact CG1-CE2 4.29Å; V546-F568 HydrophobicContact CG1-CZ 3.95Å; V546-V580 HydrophobicContact CG1-CG1 3.67Å; V546-W581 CarbonylContact C-O 3.55Å; V546-W581 VanDerWaalsContact CA-O 3.25Å; V546-W581 WeakPolarHBondContact CA-O 3.27Å; V546-V582 HydrophobicContact CG1-CG2 4.27Å; V546-V582 HydrophobicContact CG2-CG1 4.11Å; V546-V582 HydrophobicContact CG2-CG2 4.05Å
547	W	95.6	Very high	88.7	Confident	56 Å²	56	75.9 Å²	75.9	21%	0.212	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.4	172.7	-65.9	-1.8	0	0	0	109	E545 Y556 M557 V580 W581 F594	E545-W547 PolarHBondContact OE1-NE1 3.02Å; W547-Y556 HydrophobicContact CB-CD2 4.01Å; W547-Y556 AromaticContact CD2-CD2 3.85Å; W547-Y556 HydrophobicContact CD2-CD2 3.85Å; W547-Y556 AromaticContact CD2-CE2 3.63Å; W547-Y556 HydrophobicContact CD2-CE2 3.63Å; W547-Y556 AromaticContact CE2-CE2 3.64Å; W547-Y556 HydrophobicContact CE3-CD2 4.27Å; W547-Y556 HydrophobicContact CE3-CE2 4.1Å; W547-Y556 AromaticContact CG-CD2 3.74Å; W547-Y556 HydrophobicContact CG-CD2 3.74Å; W547-Y556 AromaticContact CG-CE2 3.89Å; W547-Y556 HydrophobicContact CG-CE2 3.89Å; W547-Y556 HydrophobicContact CZ2-CE2 4.11Å; W547-Y556 AromaticContact NE1-CE2 3.88Å; W547-M557 WeakPolarHBondContact CA-O 3.42Å; W547-V580 CarbonylContact O-C 3.49Å; W547-V580 VanDerWaalsContact O-CA 3.25Å; W547-V580 WeakPolarHBondContact O-CA 3.32Å; W547-W581 HydrophobicContact CB-CB 4.4Å; W547-W581 HydrophobicContact CB-CE3 4.1Å; W547-W581 PolarHBondContact N-O 2.72Å; W547-W581 PolarHBondContact O-N 3.17Å; W547-F594 HydrophobicContact CD2-CE1 4.14Å; W547-F594 HydrophobicContact CD2-CE2 4.48Å; W547-F594 AromaticContact CD2-CZ 3.64Å; W547-F594 HydrophobicContact CD2-CZ 3.64Å; W547-F594 AromaticContact CE2-CZ 3.57Å; W547-F594 HydrophobicContact CE3-CE1 4.41Å; W547-F594 HydrophobicContact CE3-CE2 4.17Å; W547-F594 AromaticContact CE3-CZ 3.76Å; W547-F594 HydrophobicContact CE3-CZ 3.76Å; W547-F594 HydrophobicContact CG-CE1 4.4Å; W547-F594 HydrophobicContact CG-CZ 4.33Å; W547-F594 AromaticContact CH2-CE2 3.85Å; W547-F594 HydrophobicContact CH2-CE2 3.85Å; W547-F594 AromaticContact CH2-CZ 3.78Å; W547-F594 HydrophobicContact CH2-CZ 3.78Å; W547-F594 HydrophobicContact CZ2-CE2 4.15Å; W547-F594 AromaticContact CZ2-CZ 3.65Å; W547-F594 HydrophobicContact CZ2-CZ 3.65Å; W547-F594 AromaticContact CZ3-CE2 3.85Å; W547-F594 HydrophobicContact CZ3-CE2 3.85Å; W547-F594 AromaticContact CZ3-CZ 3.83Å; W547-F594 HydrophobicContact CZ3-CZ 3.83Å
548	I	94.4	Very high	89.2	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.6	177.3	-57	176.2	0	0	0	108.2	L524 V546 Y556 M557 Y559 F568 I572 Y578 V580	L524-I548 HydrophobicContact CD2-CD1 4.24Å; L524-I548 HydrophobicContact CD2-CG2 4.24Å; V546-I548 HydrophobicContact CG1-CG1 4.12Å; I548-Y556 CarbonylContact O-C 3.52Å; I548-Y556 WeakPolarHBondContact O-CA 3.49Å; I548-M557 HydrophobicContact CB-CE 4.12Å; I548-M557 HydrophobicContact CG2-CE 3.84Å; I548-M557 PolarHBondContact N-O 3.08Å; I548-M557 PolarHBondContact O-N 2.86Å; I548-Y559 HydrophobicContact CD1-CD2 4.25Å; I548-Y559 HydrophobicContact CD1-CE2 3.93Å; I548-Y559 HydrophobicContact CG1-CE2 4.39Å; I548-F568 HydrophobicContact CD1-CB 4.29Å; I548-F568 HydrophobicContact CD1-CD1 3.74Å; I548-F568 HydrophobicContact CD1-CD2 3.59Å; I548-F568 HydrophobicContact CD1-CE1 3.87Å; I548-F568 HydrophobicContact CD1-CE2 3.74Å; I548-F568 HydrophobicContact CD1-CG 3.59Å; I548-F568 HydrophobicContact CD1-CZ 3.86Å; I548-I572 HydrophobicContact CG2-CD1 4.35Å; I548-Y578 HydrophobicContact CG2-CD1 3.51Å; I548-Y578 HydrophobicContact CG2-CE1 4.19Å; I548-Y578 HydrophobicContact CG2-CG 4.01Å; I548-V580 HydrophobicContact CG1-CG1 4.29Å; I548-V580 HydrophobicContact CG1-CG2 4.3Å
549	Q	94.5	Very high	89.9	Confident	39 Å²	39	69.7 Å²	69.7	18%	0.182	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.3	180	179.4	172.2	34.3	0	0	110	E553 T555 Y578 L579 W581	Q549-E553 PolarHBondContact NE2-O 2.9Å; Q549-T555 WeakPolarHBondContact CG-O 3.25Å; Q549-Y578 CarbonylContact O-C 3.55Å; Q549-Y578 VanDerWaalsContact O-CA 3.24Å; Q549-Y578 WeakPolarHBondContact O-CA 3.42Å; Q549-L579 HydrophobicContact CB-CB 4.49Å; Q549-L579 PolarHBondContact N-O 3.08Å; Q549-L579 PolarHBondContact O-N 3.09Å; Q549-W581 HydrophobicContact CB-CH2 4.34Å; Q549-W581 HydrophobicContact CB-CZ3 3.79Å
550	E	93.3	Very high	90.6	Very high	50 Å²	50	72.7 Å²	72.7	23%	0.234	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.1	170.3	-178.5	168.1	168.8	0	0	109.7	G552 E553 K573 T576 Y578	E550-G552 PolarHBondContact O-N 3.12Å; E550-G552 VanDerWaalsContact O-N 3.13Å; E550-E553 HydrophobicContact CB-CB 4.25Å; E550-E553 HydrophobicContact CB-CG 4.03Å; E550-E553 HydrophobicContact CG-CG 4.19Å; E550-E553 PolarHBondContact O-N 3.17Å; E550-K573 IonicContact OE1-NZ 3.84Å; E550-K573 PolarHBondContact OE1-NZ 3.27Å; E550-K573 IonicContact OE2-NZ 2.56Å; E550-K573 PolarHBondContact OE2-NZ 2.66Å; E550-T576 HydrophobicContact CG-CG2 3.63Å; E550-Y578 HydrophobicContact CB-CD1 4.31Å; E550-Y578 HydrophobicContact CB-CE1 4.02Å
551	Q	90.3	Very high	91.1	Very high	120 Å²	120	61.8 Å²	61.8	56%	0.561	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	116.7	-176.1	-172.4	178.2	21.8	0	0	110.8	T577	Q551-T577 HydrophobicContact CB-CG2 4.33Å; Q551-T577 WeakPolarHBondContact CB-O 3.47Å; Q551-T577 PolarHBondContact N-O 3.32Å; Q551-T577 VanDerWaalsContact OE1-CG2 3.24Å
552	G	86	Confident	91.3	Very high	78 Å²	78	63.5 Å²	63.5	80%	0.804	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.1	-13.2	-177.3	0	0	0	0	0	114.1	E550	E550-G552 PolarHBondContact O-N 3.12Å; E550-G552 VanDerWaalsContact O-N 3.13Å
553	E	88.3	Confident	91.3	Very high	99 Å²	99	66.1 Å²	66.1	46%	0.463	35%	0.35	S	S	.	.			trans	-91.7	150.5	173.5	-69.4	-64.7	161.7	0	0	111.3	Q549 E550	Q549-E553 PolarHBondContact NE2-O 2.9Å; E550-E553 HydrophobicContact CB-CB 4.25Å; E550-E553 HydrophobicContact CB-CG 4.03Å; E550-E553 HydrophobicContact CG-CG 4.19Å; E550-E553 PolarHBondContact O-N 3.17Å
554	N	83.3	Confident	91.2	Very high	155 Å²	155	66.7 Å²	66.7	83%	0.829	35%	0.354	S	S	*	.	S	Bend	trans	-92.1	-5.4	177.4	-73.2	-30	0	0	0	113.6
555	T	87.1	Confident	91.2	Very high	105 Å²	105	70.5 Å²	70.5	64%	0.644	37%	0.374	S	S	*	.			trans	-103	145.5	-178.5	56.2	0	0	0	0	110.7	Q549	Q549-T555 WeakPolarHBondContact CG-O 3.25Å
556	Y	90.3	Very high	91.1	Very high	112 Å²	112	73.8 Å²	73.8	44%	0.439	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.4	178.5	66.2	-88	0	0	0	110.5	W547 I548 P558	W547-Y556 HydrophobicContact CB-CD2 4.01Å; W547-Y556 AromaticContact CD2-CD2 3.85Å; W547-Y556 HydrophobicContact CD2-CD2 3.85Å; W547-Y556 AromaticContact CD2-CE2 3.63Å; W547-Y556 HydrophobicContact CD2-CE2 3.63Å; W547-Y556 AromaticContact CE2-CE2 3.64Å; W547-Y556 HydrophobicContact CE3-CD2 4.27Å; W547-Y556 HydrophobicContact CE3-CE2 4.1Å; W547-Y556 AromaticContact CG-CD2 3.74Å; W547-Y556 HydrophobicContact CG-CD2 3.74Å; W547-Y556 AromaticContact CG-CE2 3.89Å; W547-Y556 HydrophobicContact CG-CE2 3.89Å; W547-Y556 HydrophobicContact CZ2-CE2 4.11Å; W547-Y556 AromaticContact NE1-CE2 3.88Å; I548-Y556 CarbonylContact O-C 3.52Å; I548-Y556 WeakPolarHBondContact O-CA 3.49Å; Y556-P558 HydrophobicContact CD2-CB 4.34Å; Y556-P558 HydrophobicContact CD2-CG 4.5Å; Y556-P558 HydrophobicContact CE2-CB 4.05Å; Y556-P558 HydrophobicContact CE2-CG 4.19Å; Y556-P558 WeakPolarHBondContact O-CD 3.33Å
557	M	91.1	Very high	91	Very high	49 Å²	49	76.7 Å²	76.7	24%	0.241	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	108.5	178.9	-61.1	176.4	-71.8	0	0	109.2	W547 I548 Y559 N571 I572 Y578	W547-M557 WeakPolarHBondContact CA-O 3.42Å; I548-M557 HydrophobicContact CB-CE 4.12Å; I548-M557 HydrophobicContact CG2-CE 3.84Å; I548-M557 PolarHBondContact N-O 3.08Å; I548-M557 PolarHBondContact O-N 2.86Å; M557-Y559 HydrophobicContact CB-CE2 3.61Å; M557-Y559 WeakPolarHBondContact O-CD2 3.42Å; M557-Y559 WeakPolarHBondContact O-CE2 2.91Å; M557-N571 HydrophobicContact SD-CB 3.71Å; M557-I572 HydrophobicContact CE-CD1 4.47Å; M557-Y578 HydrophobicContact CE-CE1 4.37Å
558	P	92.6	Very high	90.8	Very high	75 Å²	75	74.2 Å²	74.2	49%	0.487	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.7	177.5	32.5	-32.2	0	0	0	112.4	V546 Y556	V546-P558 CarbonylContact O-C 3.59Å; V546-P558 WeakPolarHBondContact O-CA 3.39Å; Y556-P558 HydrophobicContact CD2-CB 4.34Å; Y556-P558 HydrophobicContact CD2-CG 4.5Å; Y556-P558 HydrophobicContact CE2-CB 4.05Å; Y556-P558 HydrophobicContact CE2-CG 4.19Å; Y556-P558 WeakPolarHBondContact O-CD 3.33Å
559	Y	92.4	Very high	90.5	Very high	58 Å²	58	77.5 Å²	77.5	23%	0.227	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.7	176.9	-60.3	-90.1	0	0	0	110.8	E545 V546 I548 M557 F568	E545-Y559 CarbonylContact C-O 3.54Å; E545-Y559 VanDerWaalsContact CA-O 3.28Å; E545-Y559 WeakPolarHBondContact CA-O 3.28Å; V546-Y559 PolarHBondContact N-O 2.77Å; V546-Y559 PolarHBondContact O-N 3.44Å; I548-Y559 HydrophobicContact CD1-CD2 4.25Å; I548-Y559 HydrophobicContact CD1-CE2 3.93Å; I548-Y559 HydrophobicContact CG1-CE2 4.39Å; M557-Y559 HydrophobicContact CB-CE2 3.61Å; M557-Y559 WeakPolarHBondContact O-CD2 3.42Å; M557-Y559 WeakPolarHBondContact O-CE2 2.91Å; Y559-F568 HydrophobicContact CD1-CD1 4.36Å; Y559-F568 AromaticContact CD1-CE1 3.92Å; Y559-F568 HydrophobicContact CD1-CE1 3.92Å; Y559-F568 HydrophobicContact CD2-CD1 4.13Å; Y559-F568 AromaticContact CD2-CE1 3.53Å; Y559-F568 HydrophobicContact CD2-CE1 3.53Å; Y559-F568 HydrophobicContact CD2-CZ 4.29Å; Y559-F568 HydrophobicContact CE1-CD1 4.22Å; Y559-F568 HydrophobicContact CE1-CE1 4.24Å; Y559-F568 AromaticContact CE2-CD1 3.99Å; Y559-F568 HydrophobicContact CE2-CD1 3.99Å; Y559-F568 AromaticContact CE2-CE1 3.88Å; Y559-F568 HydrophobicContact CE2-CE1 3.88Å; Y559-F568 HydrophobicContact CG-CD1 4.31Å; Y559-F568 AromaticContact CG-CE1 3.55Å; Y559-F568 HydrophobicContact CG-CE1 3.55Å; Y559-F568 HydrophobicContact CG-CZ 4.43Å
560	I	92.1	Very high	90	Very high	97 Å²	97	82.6 Å²	82.6	50%	0.497	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.7	171.1	-57.6	-62.4	0	0	0	109	K543 Y544 E545 I585	K543-I560 HydrophobicContact CB-CG2 4.19Å; K543-I560 HydrophobicContact CD-CG2 3.91Å; K543-I560 HydrophobicContact CG-CG2 4.47Å; Y544-I560 CarbonylContact O-C 3.47Å; Y544-I560 WeakPolarHBondContact O-CA 3.5Å; E545-I560 HydrophobicContact CB-CD1 3.66Å; E545-I560 HydrophobicContact CG-CD1 3.73Å; I560-I585 HydrophobicContact CD1-CD1 4.02Å
561	L	90.9	Very high	89.5	Confident	11 Å²	11	86 Å²	86	6%	0.058	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.2	-173.1	-59.9	177.6	0	0	0	111.3	W528 K543 Y544 V546 Q563 Y566 F568	W528-L561 HydrophobicContact CH2-CD1 3.95Å; K543-L561 CarbonylContact C-O 3.56Å; K543-L561 WeakPolarHBondContact CA-O 3.22Å; Y544-L561 PolarHBondContact N-O 2.9Å; Y544-L561 PolarHBondContact O-N 2.78Å; V546-L561 HydrophobicContact CB-CD1 4.44Å; V546-L561 HydrophobicContact CG2-CD1 3.77Å; L561-Q563 VanDerWaalsContact C-N 3.34Å; L561-Y566 HydrophobicContact CD1-CD1 4.28Å; L561-Y566 HydrophobicContact CD1-CD2 4.47Å; L561-Y566 HydrophobicContact CD1-CG 3.86Å; L561-Y566 HydrophobicContact CD2-CD1 4.18Å; L561-Y566 HydrophobicContact CD2-CD2 3.76Å; L561-Y566 HydrophobicContact CD2-CE1 4.44Å; L561-Y566 HydrophobicContact CD2-CE2 4.05Å; L561-Y566 HydrophobicContact CD2-CG 3.83Å; L561-F568 HydrophobicContact CD1-CE1 4.45Å; L561-F568 HydrophobicContact CD1-CZ 3.81Å
562	P	87.9	Confident	89.5	Confident	94 Å²	94	80.7 Å²	80.7	61%	0.61	44%	0.437	S	S	*	.	S	Bend	trans	-84	-10.5	175.7	33.7	-35	0	0	0	113.3
563	Q	89.4	Confident	89.7	Confident	93 Å²	93	81.9 Å²	81.9	44%	0.435	42%	0.42	S	S	.	.	S	Bend	trans	-125.3	157.1	-169.7	59.8	-175.7	28	0	0	111.8	W528 L561 N565	W528-Q563 VanDerWaalsContact CZ2-O 3.23Å; W528-Q563 WeakPolarHBondContact CZ2-O 3.26Å; L561-Q563 VanDerWaalsContact C-N 3.34Å; Q563-N565 VanDerWaalsContact C-N 3.29Å; Q563-N565 VanDerWaalsContact CD-O 3.31Å; Q563-N565 VanDerWaalsContact CG-O 3.31Å; Q563-N565 WeakPolarHBondContact CG-O 3.15Å; Q563-N565 PolarHBondContact NE2-O 2.98Å; Q563-N565 PolarHBondContact O-N 2.75Å
564	Q	91	Very high	89.6	Confident	82 Å²	82	78.2 Å²	78.2	38%	0.383	41%	0.405	S	S	.	.	S	Bend	trans	-86.2	5.3	-175	-50.9	83.4	-8.9	0	0	114.5	S527 W528 I530 Y544	S527-Q564 CarbonylContact C-O 3.49Å; S527-Q564 WeakPolarHBondContact CA-O 3.5Å; S527-Q564 WeakPolarHBondContact CB-O 3.17Å; W528-Q564 PolarHBondContact N-O 3.3Å; W528-Q564 WeakPolarHBondContact O-CB 3.33Å; I530-Q564 HydrophobicContact CG2-CG 3.96Å; Y544-Q564 HydrophobicContact CE2-CG 3.93Å
565	N	93.3	Very high	89.9	Confident	82 Å²	82	78 Å²	78	44%	0.439	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	126.9	179	-176.6	-0.8	0	0	0	109.2	T525 V526 Q563	T525-N565 WeakPolarHBondContact CG2-OD1 3.19Å; V526-N565 WeakPolarHBondContact O-CA 3.34Å; Q563-N565 VanDerWaalsContact C-N 3.29Å; Q563-N565 VanDerWaalsContact CD-O 3.31Å; Q563-N565 VanDerWaalsContact CG-O 3.31Å; Q563-N565 WeakPolarHBondContact CG-O 3.15Å; Q563-N565 PolarHBondContact NE2-O 2.98Å; Q563-N565 PolarHBondContact O-N 2.75Å
566	Y	94.2	Very high	90.1	Very high	95 Å²	95	73.9 Å²	73.9	37%	0.373	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.3	178.1	-167.6	-92	0	0	0	111.7	T525 V526 L561 F568	T525-Y566 WeakPolarHBondContact CA-O 3.27Å; V526-Y566 PolarHBondContact N-O 3.42Å; V526-Y566 PolarHBondContact O-N 2.87Å; L561-Y566 HydrophobicContact CD1-CD1 4.28Å; L561-Y566 HydrophobicContact CD1-CD2 4.47Å; L561-Y566 HydrophobicContact CD1-CG 3.86Å; L561-Y566 HydrophobicContact CD2-CD1 4.18Å; L561-Y566 HydrophobicContact CD2-CD2 3.76Å; L561-Y566 HydrophobicContact CD2-CE1 4.44Å; L561-Y566 HydrophobicContact CD2-CE2 4.05Å; L561-Y566 HydrophobicContact CD2-CG 3.83Å; Y566-F568 AromaticContact CD1-CD1 3.7Å; Y566-F568 HydrophobicContact CD1-CD1 3.7Å; Y566-F568 HydrophobicContact CD1-CD2 4.09Å; Y566-F568 AromaticContact CD1-CE1 3.54Å; Y566-F568 HydrophobicContact CD1-CE1 3.54Å; Y566-F568 AromaticContact CD1-CE2 3.95Å; Y566-F568 HydrophobicContact CD1-CE2 3.95Å; Y566-F568 AromaticContact CD1-CG 3.97Å; Y566-F568 HydrophobicContact CD1-CG 3.97Å; Y566-F568 AromaticContact CD1-CZ 3.69Å; Y566-F568 HydrophobicContact CD1-CZ 3.69Å; Y566-F568 AromaticContact CE1-CD1 3.75Å; Y566-F568 HydrophobicContact CE1-CD1 3.75Å; Y566-F568 AromaticContact CE1-CE1 3.85Å; Y566-F568 HydrophobicContact CE1-CE1 3.85Å; Y566-F568 HydrophobicContact CE1-CG 4.26Å; Y566-F568 HydrophobicContact CE1-CZ 4.45Å; Y566-F568 HydrophobicContact CG-CZ 4.45Å
567	T	92.7	Very high	90.3	Very high	60 Å²	60	70 Å²	70	37%	0.368	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.2	176.5	-56.7	0	0	0	0	110	K523 L524 T525	K523-T567 HydrophobicContact CB-CG2 3.84Å; K523-T567 HydrophobicContact CD-CG2 4.08Å; K523-T567 HydrophobicContact CG-CG2 4.31Å; L524-T567 WeakPolarHBondContact O-CA 3.3Å; T525-T567 WeakPolarHBondContact OG1-CG2 3.31Å; T525-T567 PolarHBondContact OG1-OG1 3.14Å
568	F	92.3	Very high	90.5	Very high	5 Å²	5	67.8 Å²	67.8	2%	0.022	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.9	173.8	-54.8	-86.8	0	0	0	109.2	K523 L524 V526 V546 I548 Y559 L561 Y566 I572	K523-F568 WeakPolarHBondContact CA-O 3.44Å; L524-F568 PolarHBondContact N-O 3.34Å; L524-F568 WeakPolarHBondContact O-CD2 3.33Å; L524-F568 PolarHBondContact O-N 3.04Å; V526-F568 HydrophobicContact CB-CE2 4.21Å; V526-F568 HydrophobicContact CG2-CD2 4.16Å; V526-F568 HydrophobicContact CG2-CE2 3.87Å; V546-F568 HydrophobicContact CB-CZ 4.25Å; V546-F568 HydrophobicContact CG1-CE2 4.29Å; V546-F568 HydrophobicContact CG1-CZ 3.95Å; I548-F568 HydrophobicContact CD1-CB 4.29Å; I548-F568 HydrophobicContact CD1-CD1 3.74Å; I548-F568 HydrophobicContact CD1-CD2 3.59Å; I548-F568 HydrophobicContact CD1-CE1 3.87Å; I548-F568 HydrophobicContact CD1-CE2 3.74Å; I548-F568 HydrophobicContact CD1-CG 3.59Å; I548-F568 HydrophobicContact CD1-CZ 3.86Å; Y559-F568 HydrophobicContact CD1-CD1 4.36Å; Y559-F568 AromaticContact CD1-CE1 3.92Å; Y559-F568 HydrophobicContact CD1-CE1 3.92Å; Y559-F568 HydrophobicContact CD2-CD1 4.13Å; Y559-F568 AromaticContact CD2-CE1 3.53Å; Y559-F568 HydrophobicContact CD2-CE1 3.53Å; Y559-F568 HydrophobicContact CD2-CZ 4.29Å; Y559-F568 HydrophobicContact CE1-CD1 4.22Å; Y559-F568 HydrophobicContact CE1-CE1 4.24Å; Y559-F568 AromaticContact CE2-CD1 3.99Å; Y559-F568 HydrophobicContact CE2-CD1 3.99Å; Y559-F568 AromaticContact CE2-CE1 3.88Å; Y559-F568 HydrophobicContact CE2-CE1 3.88Å; Y559-F568 HydrophobicContact CG-CD1 4.31Å; Y559-F568 AromaticContact CG-CE1 3.55Å; Y559-F568 HydrophobicContact CG-CE1 3.55Å; Y559-F568 HydrophobicContact CG-CZ 4.43Å; L561-F568 HydrophobicContact CD1-CE1 4.45Å; L561-F568 HydrophobicContact CD1-CZ 3.81Å; Y566-F568 AromaticContact CD1-CD1 3.7Å; Y566-F568 HydrophobicContact CD1-CD1 3.7Å; Y566-F568 HydrophobicContact CD1-CD2 4.09Å; Y566-F568 AromaticContact CD1-CE1 3.54Å; Y566-F568 HydrophobicContact CD1-CE1 3.54Å; Y566-F568 AromaticContact CD1-CE2 3.95Å; Y566-F568 HydrophobicContact CD1-CE2 3.95Å; Y566-F568 AromaticContact CD1-CG 3.97Å; Y566-F568 HydrophobicContact CD1-CG 3.97Å; Y566-F568 AromaticContact CD1-CZ 3.69Å; Y566-F568 HydrophobicContact CD1-CZ 3.69Å; Y566-F568 AromaticContact CE1-CD1 3.75Å; Y566-F568 HydrophobicContact CE1-CD1 3.75Å; Y566-F568 AromaticContact CE1-CE1 3.85Å; Y566-F568 HydrophobicContact CE1-CE1 3.85Å; Y566-F568 HydrophobicContact CE1-CG 4.26Å; Y566-F568 HydrophobicContact CE1-CZ 4.45Å; Y566-F568 HydrophobicContact CG-CZ 4.45Å; F568-I572 HydrophobicContact CB-CD1 4.14Å; F568-I572 HydrophobicContact CB-CG1 3.84Å
569	S	87.9	Confident	90.7	Very high	69 Å²	69	66 Å²	66	48%	0.483	34%	0.335	S	S	.	.			trans	-118.6	-22.6	175	52.7	0	0	0	0	112.9
570	E	82.9	Confident	90.8	Very high	145 Å²	145	63.2 Å²	63.2	68%	0.678	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	135	177.7	-64.6	-179.6	-179.2	0	0	110	I572	E570-I572 PolarHBondContact O-N 2.66Å; E570-I572 VanDerWaalsContact O-N 3.17Å
571	N	82.9	Confident	91	Very high	121 Å²	121	61.4 Å²	61.4	65%	0.647	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	20	179.5	-53.8	-42.6	0	0	0	115.3	M557 Y578	M557-N571 HydrophobicContact SD-CB 3.71Å; N571-Y578 PolarHBondContact O-OH 3.11Å
572	I	90.7	Very high	91.2	Very high	10 Å²	10	61 Å²	61	5%	0.051	31%	0.308	C	S	.	.			trans	-100.5	111.8	173.1	-57.6	-55.4	0	0	0	109.1	A522 L524 I548 M557 F568 E570 Y578 T602	A522-I572 HydrophobicContact CB-CG2 4.06Å; L524-I572 HydrophobicContact CB-CD1 4.34Å; L524-I572 HydrophobicContact CB-CG1 4.31Å; L524-I572 HydrophobicContact CB-CG2 4.07Å; L524-I572 HydrophobicContact CD2-CD1 4.29Å; I548-I572 HydrophobicContact CG2-CD1 4.35Å; M557-I572 HydrophobicContact CE-CD1 4.47Å; F568-I572 HydrophobicContact CB-CD1 4.14Å; F568-I572 HydrophobicContact CB-CG1 3.84Å; E570-I572 PolarHBondContact O-N 2.66Å; E570-I572 VanDerWaalsContact O-N 3.17Å; I572-Y578 HydrophobicContact CD1-CE1 4.5Å; I572-Y578 HydrophobicContact CD1-CE2 4.49Å; I572-Y578 HydrophobicContact CG2-CE2 4.06Å; I572-T602 HydrophobicContact CG2-CG2 3.64Å
573	K	89.8	Confident	91.6	Very high	102 Å²	102	58.6 Å²	58.6	44%	0.443	29%	0.287	S	S	.	.			trans	-84	146.8	179.1	-63.3	172	-173.2	161.5	0	110.2	E550 T576 Y578 T602	E550-K573 IonicContact OE1-NZ 3.84Å; E550-K573 PolarHBondContact OE1-NZ 3.27Å; E550-K573 IonicContact OE2-NZ 2.56Å; E550-K573 PolarHBondContact OE2-NZ 2.66Å; K573-T576 WeakPolarHBondContact CB-OG1 3.44Å; K573-Y578 PolarHBondContact N-OH 3.26Å; K573-T602 WeakPolarHBondContact O-CB 2.85Å; K573-T602 PolarHBondContact O-OG1 3.21Å
574	P	87.8	Confident	91.8	Very high	23 Å²	23	54.1 Å²	54.1	15%	0.149	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	156.4	170.9	27.6	-30.3	0	0	0	111.6	V516 P519 A522 T576	V516-P574 HydrophobicContact CG1-CB 4.16Å; V516-P574 HydrophobicContact CG2-CB 4.39Å; P519-P574 VanDerWaalsContact O-CG 3.23Å; P519-P574 WeakPolarHBondContact O-CG 3.39Å; A522-P574 HydrophobicContact CB-CB 4.1Å; P574-T576 PolarHBondContact O-N 3.39Å; P574-T576 VanDerWaalsContact O-N 3.1Å; P574-T576 PolarHBondContact O-OG1 3.2Å
575	F	89.6	Confident	91.7	Very high	149 Å²	149	50.8 Å²	50.8	65%	0.654	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	23.9	175.5	-48.3	-63.2	0	0	0	115.1	T602	F575-T602 CarbonylContact C-O 3.58Å; F575-T602 WeakPolarHBondContact CA-O 3.23Å; F575-T602 VanDerWaalsContact N-C 3.28Å; F575-T602 PolarHBondContact N-O 3.16Å; F575-T602 VanDerWaalsContact N-O 3.1Å; F575-T602 PolarHBondContact N-OXT 2.7Å
576	T	90.8	Very high	91.4	Very high	20 Å²	20	47 Å²	47	12%	0.123	23%	0.231	C	C	.	.			trans	-114	140.9	-171.7	-59.4	0	0	0	0	110	E550 K573 P574 Y578 R601 T602	E550-T576 HydrophobicContact CG-CG2 3.63Å; K573-T576 WeakPolarHBondContact CB-OG1 3.44Å; P574-T576 PolarHBondContact O-N 3.39Å; P574-T576 VanDerWaalsContact O-N 3.1Å; P574-T576 PolarHBondContact O-OG1 3.2Å; T576-Y578 HydrophobicContact CG2-CD2 4.31Å; T576-Y578 HydrophobicContact CG2-CE1 4.35Å; T576-Y578 HydrophobicContact CG2-CE2 3.74Å; T576-R601 WeakPolarHBondContact O-CA 3.35Å; T576-T602 PolarHBondContact N-OG1 2.97Å; T576-T602 VanDerWaalsContact N-OG1 3.13Å; T576-T602 PolarHBondContact O-N 3.33Å; T576-T602 PolarHBondContact O-OG1 3.47Å
577	T	94.3	Very high	90.5	Very high	31 Å²	31	46.2 Å²	46.2	19%	0.19	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125	176.4	-55.7	0	0	0	0	109.7	Q551 T599	Q551-T577 HydrophobicContact CB-CG2 4.33Å; Q551-T577 WeakPolarHBondContact CB-O 3.47Å; Q551-T577 PolarHBondContact N-O 3.32Å; Q551-T577 VanDerWaalsContact OE1-CG2 3.24Å; T577-T599 HydrophobicContact CG2-CG2 3.45Å; T577-T599 VanDerWaalsContact CG2-CG2 3.45Å
578	Y	95.3	Very high	89.4	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.3	177.4	-69.1	-80.7	0	0	0	111.1	L524 I548 Q549 E550 M557 N571 I572 K573 T576 T599 C600 T602	L524-Y578 HydrophobicContact CD2-CG 4.47Å; I548-Y578 HydrophobicContact CG2-CD1 3.51Å; I548-Y578 HydrophobicContact CG2-CE1 4.19Å; I548-Y578 HydrophobicContact CG2-CG 4.01Å; Q549-Y578 CarbonylContact O-C 3.55Å; Q549-Y578 VanDerWaalsContact O-CA 3.24Å; Q549-Y578 WeakPolarHBondContact O-CA 3.42Å; E550-Y578 HydrophobicContact CB-CD1 4.31Å; E550-Y578 HydrophobicContact CB-CE1 4.02Å; M557-Y578 HydrophobicContact CE-CE1 4.37Å; N571-Y578 PolarHBondContact O-OH 3.11Å; I572-Y578 HydrophobicContact CD1-CE1 4.5Å; I572-Y578 HydrophobicContact CD1-CE2 4.49Å; I572-Y578 HydrophobicContact CG2-CE2 4.06Å; K573-Y578 PolarHBondContact N-OH 3.26Å; T576-Y578 HydrophobicContact CG2-CD2 4.31Å; T576-Y578 HydrophobicContact CG2-CE1 4.35Å; T576-Y578 HydrophobicContact CG2-CE2 3.74Å; Y578-T599 WeakPolarHBondContact O-CA 3.39Å; Y578-C600 PolarHBondContact N-O 3.1Å; Y578-C600 PolarHBondContact O-N 2.58Å; Y578-T602 HydrophobicContact CD2-CG2 4.26Å; Y578-T602 HydrophobicContact CE2-CG2 4.25Å
579	L	95.8	Very high	88.7	Confident	37 Å²	37	56.4 Å²	56.4	19%	0.194	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.5	165.8	-58.7	-179.9	0	0	0	108.3	Q549 W581 V597 L598 T599	Q549-L579 HydrophobicContact CB-CB 4.49Å; Q549-L579 PolarHBondContact N-O 3.08Å; Q549-L579 PolarHBondContact O-N 3.09Å; L579-W581 HydrophobicContact CB-CH2 3.38Å; L579-W581 HydrophobicContact CB-CZ2 4.07Å; L579-W581 HydrophobicContact CB-CZ3 3.65Å; L579-W581 HydrophobicContact CD1-CH2 3.89Å; L579-W581 HydrophobicContact CD1-CZ2 4.36Å; L579-W581 HydrophobicContact CG-CH2 4.29Å; L579-W581 WeakPolarHBondContact O-CZ3 3.38Å; L579-V597 HydrophobicContact CB-CG2 3.87Å; L579-V597 HydrophobicContact CD2-CG2 4.09Å; L579-V597 HydrophobicContact CG-CG2 4.46Å; L579-L598 CarbonylContact C-O 3.59Å; L579-L598 WeakPolarHBondContact CA-O 3.28Å; L579-T599 HydrophobicContact CD2-CG2 4.46Å
580	V	95.3	Very high	88.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129	-177	-172.7	0	0	0	0	110.7	L524 V526 V546 W547 I548 V582 L598 C600	L524-V580 HydrophobicContact CD2-CG2 4.05Å; V526-V580 HydrophobicContact CG1-CG1 4.14Å; V526-V580 HydrophobicContact CG2-CG1 4.18Å; V546-V580 HydrophobicContact CG1-CG1 3.67Å; W547-V580 CarbonylContact O-C 3.49Å; W547-V580 VanDerWaalsContact O-CA 3.25Å; W547-V580 WeakPolarHBondContact O-CA 3.32Å; I548-V580 HydrophobicContact CG1-CG1 4.29Å; I548-V580 HydrophobicContact CG1-CG2 4.3Å; V580-V582 HydrophobicContact CG1-CG2 4.35Å; V580-L598 HydrophobicContact CB-CB 4.2Å; V580-L598 PolarHBondContact N-O 3.08Å; V580-L598 PolarHBondContact O-N 3.13Å; V580-C600 HydrophobicContact CG2-CB 4.49Å
581	W	96.1	Very high	88.9	Confident	60 Å²	60	51.7 Å²	51.7	23%	0.227	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141	172.4	-62.1	-93.9	0	0	0	110.5	V546 W547 Q549 L579 F594 V597	V546-W581 CarbonylContact C-O 3.55Å; V546-W581 VanDerWaalsContact CA-O 3.25Å; V546-W581 WeakPolarHBondContact CA-O 3.27Å; W547-W581 HydrophobicContact CB-CB 4.4Å; W547-W581 HydrophobicContact CB-CE3 4.1Å; W547-W581 PolarHBondContact N-O 2.72Å; W547-W581 PolarHBondContact O-N 3.17Å; Q549-W581 HydrophobicContact CB-CH2 4.34Å; Q549-W581 HydrophobicContact CB-CZ3 3.79Å; L579-W581 HydrophobicContact CB-CH2 3.38Å; L579-W581 HydrophobicContact CB-CZ2 4.07Å; L579-W581 HydrophobicContact CB-CZ3 3.65Å; L579-W581 HydrophobicContact CD1-CH2 3.89Å; L579-W581 HydrophobicContact CD1-CZ2 4.36Å; L579-W581 HydrophobicContact CG-CH2 4.29Å; L579-W581 WeakPolarHBondContact O-CZ3 3.38Å; W581-F594 HydrophobicContact CB-CB 4.45Å; W581-F594 HydrophobicContact CB-CD1 3.5Å; W581-F594 VanDerWaalsContact CB-CD1 3.5Å; W581-F594 HydrophobicContact CB-CE1 3.86Å; W581-F594 HydrophobicContact CB-CG 4.08Å; W581-F594 HydrophobicContact CG-CD1 4.46Å; W581-V597 HydrophobicContact CD2-CG2 4.15Å; W581-V597 HydrophobicContact CH2-CG2 4.27Å; W581-V597 HydrophobicContact CZ2-CB 4.32Å; W581-V597 HydrophobicContact CZ2-CG2 3.61Å
582	V	95.8	Very high	89.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.7	178.2	-173.9	0	0	0	0	109.9	V507 V526 W528 E545 V546 V580 F594 A595	V507-V582 HydrophobicContact CG1-CG1 4.35Å; V507-V582 HydrophobicContact CG2-CB 3.92Å; V507-V582 HydrophobicContact CG2-CG1 3.86Å; V526-V582 HydrophobicContact CG1-CG2 4.18Å; W528-V582 HydrophobicContact CD2-CG1 3.65Å; W528-V582 HydrophobicContact CE3-CB 4.49Å; W528-V582 HydrophobicContact CE3-CG1 3.88Å; W528-V582 HydrophobicContact CE3-CG2 3.99Å; W528-V582 HydrophobicContact CG-CG1 4.15Å; W528-V582 HydrophobicContact CH2-CG1 4.25Å; W528-V582 HydrophobicContact CZ2-CG1 4.01Å; W528-V582 HydrophobicContact CZ3-CG1 4.17Å; W528-V582 HydrophobicContact CZ3-CG2 4.18Å; E545-V582 CarbonylContact O-C 3.53Å; E545-V582 WeakPolarHBondContact O-CA 3.5Å; V546-V582 HydrophobicContact CG1-CG2 4.27Å; V546-V582 HydrophobicContact CG2-CG1 4.11Å; V546-V582 HydrophobicContact CG2-CG2 4.05Å; V580-V582 HydrophobicContact CG1-CG2 4.35Å; V582-F594 WeakPolarHBondContact O-CA 3.5Å; V582-A595 PolarHBondContact O-N 2.73Å
583	R	95.2	Very high	89.4	Confident	44 Å²	44	48.9 Å²	48.9	17%	0.166	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.9	169.4	66.7	178.8	178.2	-167.7	-1.4	112.1	Y544 E545 G592 F594	Y544-R583 CarbonylContact C-O 3.53Å; Y544-R583 VanDerWaalsContact CA-O 3.23Å; Y544-R583 WeakPolarHBondContact CA-O 3.24Å; E545-R583 HydrophobicContact CB-CG 3.91Å; E545-R583 PolarHBondContact N-O 2.78Å; E545-R583 PolarHBondContact O-N 2.79Å; E545-R583 IonicContact OE1-NH2 2.72Å; E545-R583 PolarHBondContact OE1-NH2 3.42Å; E545-R583 IonicContact OE2-CZ 2.72Å; E545-R583 IonicContact OE2-NE 3.54Å; E545-R583 PolarHBondContact OE2-NE 2.83Å; E545-R583 IonicContact OE2-NH2 2.73Å; E545-R583 PolarHBondContact OE2-NH2 2.99Å; R583-G592 WeakPolarHBondContact CD-O 3.35Å; R583-F594 HydrophobicContact CB-CD1 3.67Å; R583-F594 HydrophobicContact CB-CE1 3.96Å; R583-F594 HydrophobicContact CB-CG 4.18Å; R583-F594 HydrophobicContact CG-CD1 3.87Å; R583-F594 HydrophobicContact CG-CE1 3.59Å; R583-F594 HydrophobicContact CG-CZ 4.03Å
584	C	93.6	Very high	89.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	148.9	176	-174	0	0	0	0	110.9	P504 V507 P531 K543 Y544 F586 G592	P504-C584 HydrophobicContact CB-CB 3.77Å; P504-C584 HydrophobicContact CG-CB 4.38Å; V507-C584 HydrophobicContact CG1-CB 4.01Å; P531-C584 HydrophobicContact CG-CB 3.63Å; K543-C584 CarbonylContact O-C 3.52Å; Y544-C584 HydrophobicContact CD1-CB 4.08Å; Y544-C584 HydrophobicContact CE1-CB 3.96Å; C584-F586 VanDerWaalsContact SG-CE1 3.58Å; C584-G592 PolarHBondContact O-N 2.9Å
585	I	90.3	Very high	89.7	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.062	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.9	177.4	-50.6	-174	0	0	0	109.1	V542 K543 E545 I560 K588 L590 L591	V542-I585 WeakPolarHBondContact CA-O 3.44Å; K543-I585 HydrophobicContact CB-CB 4.37Å; K543-I585 PolarHBondContact N-O 2.94Å; K543-I585 PolarHBondContact O-N 2.71Å; E545-I585 HydrophobicContact CB-CD1 3.99Å; I560-I585 HydrophobicContact CD1-CD1 4.02Å; I585-K588 WeakPolarHBondContact CG2-O 3.42Å; I585-L590 CarbonylContact C-O 3.54Å; I585-L590 WeakPolarHBondContact CA-O 3.37Å; I585-L591 HydrophobicContact CB-CD2 4.46Å; I585-L591 HydrophobicContact CD1-CD2 3.66Å; I585-L591 HydrophobicContact CG1-CD2 3.67Å; I585-L591 HydrophobicContact CG2-CD2 4.18Å
586	F	86.4	Confident	89.7	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	144.9	170.9	-61.9	-18.4	0	0	0	111.7	P504 L534 L537 V539 V542 C584 K588 N589 L590	P504-F586 HydrophobicContact CB-CD1 4.03Å; P504-F586 HydrophobicContact CB-CD2 4.1Å; P504-F586 HydrophobicContact CB-CE1 3.59Å; P504-F586 HydrophobicContact CB-CE2 3.68Å; P504-F586 HydrophobicContact CB-CG 4.26Å; P504-F586 HydrophobicContact CB-CZ 3.42Å; P504-F586 VanDerWaalsContact CB-CZ 3.42Å; P504-F586 HydrophobicContact CG-CB 4.31Å; P504-F586 HydrophobicContact CG-CD1 3.71Å; P504-F586 HydrophobicContact CG-CD2 3.63Å; P504-F586 HydrophobicContact CG-CE1 3.84Å; P504-F586 HydrophobicContact CG-CE2 3.77Å; P504-F586 HydrophobicContact CG-CG 3.61Å; P504-F586 HydrophobicContact CG-CZ 3.88Å; P504-F586 VanDerWaalsContact N-CE2 3.32Å; L534-F586 HydrophobicContact CB-CZ 4.41Å; L534-F586 HydrophobicContact CD1-CD1 4.44Å; L534-F586 HydrophobicContact CD1-CE1 3.63Å; L534-F586 HydrophobicContact CD1-CZ 3.79Å; L537-F586 HydrophobicContact CD1-CD2 4.39Å; L537-F586 HydrophobicContact CD1-CE2 3.46Å; L537-F586 VanDerWaalsContact CD1-CE2 3.46Å; L537-F586 HydrophobicContact CD1-CZ 4.08Å; V539-F586 HydrophobicContact CG1-CB 3.88Å; V539-F586 HydrophobicContact CG1-CD1 3.85Å; V539-F586 HydrophobicContact CG1-CG 3.87Å; V539-F586 HydrophobicContact CG2-CD1 4.17Å; V539-F586 HydrophobicContact CG2-CD2 3.92Å; V539-F586 HydrophobicContact CG2-CE1 4.28Å; V539-F586 HydrophobicContact CG2-CE2 4.04Å; V539-F586 HydrophobicContact CG2-CG 3.98Å; V539-F586 HydrophobicContact CG2-CZ 4.2Å; V542-F586 HydrophobicContact CG2-CD1 4.23Å; V542-F586 HydrophobicContact CG2-CE1 4.39Å; C584-F586 VanDerWaalsContact SG-CE1 3.58Å; F586-K588 PolarHBondContact O-N 3.17Å; F586-N589 PolarHBondContact O-N 2.84Å; F586-L590 HydrophobicContact CB-CB 4.08Å; F586-L590 PolarHBondContact N-O 3.06Å; F586-L590 PolarHBondContact O-N 3.36Å
587	N	74.8	Confident	89.9	Confident	77 Å²	77	45.9 Å²	45.9	41%	0.412	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	43.8	167.4	-61.4	-25.4	0	0	0	112.8	R540 E541 N589	R540-N587 PolarHBondContact N-OD1 2.99Å; E541-N587 PolarHBondContact O-N 3.34Å; N587-N589 VanDerWaalsContact C-N 3.25Å; N587-N589 PolarHBondContact O-N 2.94Å
588	K	70.9	Confident	89.8	Confident	144 Å²	144	45.7 Å²	45.7	63%	0.626	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	-34.6	179.3	-52.4	-177.8	179.9	-177.5	0	117.1	E541 I585 F586	E541-K588 WeakPolarHBondContact OE2-CE 3.49Å; E541-K588 VanDerWaalsContact OE2-CG 3.25Å; E541-K588 WeakPolarHBondContact OE2-CG 3Å; I585-K588 WeakPolarHBondContact CG2-O 3.42Å; F586-K588 PolarHBondContact O-N 3.17Å
589	N	77.3	Confident	89.8	Confident	136 Å²	136	50 Å²	50	73%	0.727	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-8.9	-167.7	-62	-0.4	0	0	0	115.4	F586 N587 L591	F586-N589 PolarHBondContact O-N 2.84Å; N587-N589 VanDerWaalsContact C-N 3.25Å; N587-N589 PolarHBondContact O-N 2.94Å; N589-L591 PolarHBondContact O-N 3.13Å
590	L	85.6	Confident	89.7	Confident	43 Å²	43	48.4 Å²	48.4	23%	0.225	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	103.2	-177.5	-63.7	177.3	0	0	0	110.4	T501 P504 I585 F586	T501-L590 HydrophobicContact CG2-CD1 3.94Å; T501-L590 HydrophobicContact CG2-CD2 3.47Å; T501-L590 VanDerWaalsContact CG2-CD2 3.47Å; T501-L590 HydrophobicContact CG2-CG 4.37Å; P504-L590 WeakPolarHBondContact CD-O 3.34Å; P504-L590 VanDerWaalsContact CG-O 3.31Å; P504-L590 WeakPolarHBondContact CG-O 3.38Å; I585-L590 CarbonylContact C-O 3.54Å; I585-L590 WeakPolarHBondContact CA-O 3.37Å; F586-L590 HydrophobicContact CB-CB 4.08Å; F586-L590 PolarHBondContact N-O 3.06Å; F586-L590 PolarHBondContact O-N 3.36Å
591	L	89.8	Confident	89.6	Confident	71 Å²	71	56.9 Å²	56.9	37%	0.372	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135	-177.1	-55.9	172.2	0	0	0	111.1	H503 I585 N589	H503-L591 PolarHBondContact ND1-O 2.88Å; I585-L591 HydrophobicContact CB-CD2 4.46Å; I585-L591 HydrophobicContact CD1-CD2 3.66Å; I585-L591 HydrophobicContact CG1-CD2 3.67Å; I585-L591 HydrophobicContact CG2-CD2 4.18Å; N589-L591 PolarHBondContact O-N 3.13Å
592	G	89.8	Confident	89.1	Confident	6 Å²	6	54.6 Å²	54.6	6%	0.062	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-90.4	169.7	165.5	0	0	0	0	0	111.6	P504 R583 C584	P504-G592 VanDerWaalsContact O-CA 3.28Å; P504-G592 WeakPolarHBondContact O-CA 3.12Å; R583-G592 WeakPolarHBondContact CD-O 3.35Å; C584-G592 PolarHBondContact O-N 2.9Å
593	P	92.6	Very high	88.8	Confident	67 Å²	67	57.3 Å²	57.3	44%	0.435	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-67.3	151.9	174.4	30.1	-34.4	0	0	0	111	P504 R506	P504-P593 VanDerWaalsContact O-CD 3.29Å; P504-P593 WeakPolarHBondContact O-CD 3.22Å; R506-P593 HydrophobicContact CB-CG 4.01Å
594	F	93.4	Very high	88.4	Confident	46 Å²	46	58 Å²	58	20%	0.202	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.3	145.2	167.2	-74.2	-70.7	0	0	0	111	R506 W547 W581 V582 R583	R506-F594 PolarHBondContact NE-O 2.81Å; R506-F594 VanDerWaalsContact NE-O 3.1Å; W547-F594 HydrophobicContact CD2-CE1 4.14Å; W547-F594 HydrophobicContact CD2-CE2 4.48Å; W547-F594 AromaticContact CD2-CZ 3.64Å; W547-F594 HydrophobicContact CD2-CZ 3.64Å; W547-F594 AromaticContact CE2-CZ 3.57Å; W547-F594 HydrophobicContact CE3-CE1 4.41Å; W547-F594 HydrophobicContact CE3-CE2 4.17Å; W547-F594 AromaticContact CE3-CZ 3.76Å; W547-F594 HydrophobicContact CE3-CZ 3.76Å; W547-F594 HydrophobicContact CG-CE1 4.4Å; W547-F594 HydrophobicContact CG-CZ 4.33Å; W547-F594 AromaticContact CH2-CE2 3.85Å; W547-F594 HydrophobicContact CH2-CE2 3.85Å; W547-F594 AromaticContact CH2-CZ 3.78Å; W547-F594 HydrophobicContact CH2-CZ 3.78Å; W547-F594 HydrophobicContact CZ2-CE2 4.15Å; W547-F594 AromaticContact CZ2-CZ 3.65Å; W547-F594 HydrophobicContact CZ2-CZ 3.65Å; W547-F594 AromaticContact CZ3-CE2 3.85Å; W547-F594 HydrophobicContact CZ3-CE2 3.85Å; W547-F594 AromaticContact CZ3-CZ 3.83Å; W547-F594 HydrophobicContact CZ3-CZ 3.83Å; W581-F594 HydrophobicContact CB-CB 4.45Å; W581-F594 HydrophobicContact CB-CD1 3.5Å; W581-F594 VanDerWaalsContact CB-CD1 3.5Å; W581-F594 HydrophobicContact CB-CE1 3.86Å; W581-F594 HydrophobicContact CB-CG 4.08Å; W581-F594 HydrophobicContact CG-CD1 4.46Å; V582-F594 WeakPolarHBondContact O-CA 3.5Å; R583-F594 HydrophobicContact CB-CD1 3.67Å; R583-F594 HydrophobicContact CB-CE1 3.96Å; R583-F594 HydrophobicContact CB-CG 4.18Å; R583-F594 HydrophobicContact CG-CD1 3.87Å; R583-F594 HydrophobicContact CG-CE1 3.59Å; R583-F594 HydrophobicContact CG-CZ 4.03Å
595	A	90.8	Very high	88.2	Confident	10 Å²	10	61.2 Å²	61.2	8%	0.083	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-67.4	168.1	163.4	0	0	0	0	0	111.8	R506 V507 V582	R506-A595 VanDerWaalsContact CG-CA 3.49Å; R506-A595 HydrophobicContact CG-CB 3.96Å; V507-A595 HydrophobicContact CG2-CB 3.51Å; V582-A595 PolarHBondContact O-N 2.73Å
596	D	90.6	Very high	88	Confident	107 Å²	107	64.1 Å²	64.1	57%	0.572	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-58.2	141	172.2	-56.3	-51.5	0	0	0	109.2	R506 L598	R506-D596 IonicContact CZ-OD1 2.8Å; R506-D596 IonicContact NH1-OD1 2.66Å; R506-D596 PolarHBondContact NH1-OD1 2.96Å; R506-D596 IonicContact NH1-OD2 3.16Å; R506-D596 PolarHBondContact NH1-OD2 2.86Å; R506-D596 IonicContact NH2-OD1 3.62Å; D596-L598 PolarHBondContact O-N 3.2Å
597	V	93.9	Very high	88.1	Confident	67 Å²	67	67.9 Å²	67.9	41%	0.406	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-61.4	131.5	-176.1	63	0	0	0	0	110	L579 W581	L579-V597 HydrophobicContact CB-CG2 3.87Å; L579-V597 HydrophobicContact CD2-CG2 4.09Å; L579-V597 HydrophobicContact CG-CG2 4.46Å; W581-V597 HydrophobicContact CD2-CG2 4.15Å; W581-V597 HydrophobicContact CH2-CG2 4.27Å; W581-V597 HydrophobicContact CZ2-CB 4.32Å; W581-V597 HydrophobicContact CZ2-CG2 3.61Å
598	L	93.6	Very high	89	Confident	27 Å²	27	67.3 Å²	67.3	14%	0.141	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.5	171.1	-54	177.9	0	0	0	109.3	A510 V526 L579 V580 D596	A510-L598 HydrophobicContact CB-CD1 3.88Å; A510-L598 HydrophobicContact CB-CD2 4.1Å; A510-L598 HydrophobicContact CB-CG 4.28Å; A510-L598 WeakPolarHBondContact O-CD2 3.33Å; V526-L598 HydrophobicContact CG1-CD1 4.02Å; L579-L598 CarbonylContact C-O 3.59Å; L579-L598 WeakPolarHBondContact CA-O 3.28Å; V580-L598 HydrophobicContact CB-CB 4.2Å; V580-L598 PolarHBondContact N-O 3.08Å; V580-L598 PolarHBondContact O-N 3.13Å; D596-L598 PolarHBondContact O-N 3.2Å
599	T	95.1	Very high	90.3	Very high	93 Å²	93	61.9 Å²	61.9	57%	0.571	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	108.7	170.9	-54.8	0	0	0	0	108.5	T577 Y578 L579	T577-T599 HydrophobicContact CG2-CG2 3.45Å; T577-T599 VanDerWaalsContact CG2-CG2 3.45Å; Y578-T599 WeakPolarHBondContact O-CA 3.39Å; L579-T599 HydrophobicContact CD2-CG2 4.46Å
600	C	93.3	Very high	91.3	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.8	-172.7	-54	0	0	0	0	109.7	C512 L524 Y578 V580	C512-C600 HydrophobicContact CB-CB 3.92Å; C512-C600 WeakPolarHBondContact CB-SG 3.38Å; C512-C600 VanDerWaalsContact SG-CA 3.54Å; C512-C600 WeakPolarHBondContact SG-CB 3.45Å; C512-C600 CovalentContact SG-SG 2.02Å; C512-C600 PolarHBondContact SG-SG 2.97Å; L524-C600 HydrophobicContact CD1-CB 3.53Å; Y578-C600 PolarHBondContact N-O 3.1Å; Y578-C600 PolarHBondContact O-N 2.58Å; V580-C600 HydrophobicContact CG2-CB 4.49Å
601	R	92.4	Very high	91.8	Very high	179 Å²	179	57.3 Å²	57.3	68%	0.675	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.7	179.8	-172.2	175	-179.6	177.8	1.5	110.1	T514 T576	T514-R601 WeakPolarHBondContact CB-O 3.03Å; T514-R601 WeakPolarHBondContact CG2-O 3.34Å; T514-R601 PolarHBondContact OG1-O 3.1Å; T576-R601 WeakPolarHBondContact O-CA 3.35Å
602	T	86.4	Confident	92	Very high	12 Å²	12	56 Å²	56	7%	0.074	29%	0.294	C	S	.	.			trans	-80.8	0	171.9	50.7	0	0	0	0	112	T514 V516 A522 L524 I572 K573 F575 T576 Y578	T514-T602 HydrophobicContact CG2-CG2 3.66Å; V516-T602 WeakPolarHBondContact CG2-OXT 3.24Å; A522-T602 HydrophobicContact CB-CG2 4.14Å; L524-T602 HydrophobicContact CB-CG2 4.41Å; I572-T602 HydrophobicContact CG2-CG2 3.64Å; K573-T602 WeakPolarHBondContact O-CB 2.85Å; K573-T602 PolarHBondContact O-OG1 3.21Å; F575-T602 CarbonylContact C-O 3.58Å; F575-T602 WeakPolarHBondContact CA-O 3.23Å; F575-T602 VanDerWaalsContact N-C 3.28Å; F575-T602 PolarHBondContact N-O 3.16Å; F575-T602 VanDerWaalsContact N-O 3.1Å; F575-T602 PolarHBondContact N-OXT 2.7Å; T576-T602 PolarHBondContact N-OG1 2.97Å; T576-T602 VanDerWaalsContact N-OG1 3.13Å; T576-T602 PolarHBondContact O-N 3.33Å; T576-T602 PolarHBondContact O-OG1 3.47Å; Y578-T602 HydrophobicContact CD2-CG2 4.26Å; Y578-T602 HydrophobicContact CE2-CG2 4.25Å

Retrieved 602 of 602 residues in 1359.1 ms (Link to these results)

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