A0A087Y0G5_POEFO Loading...

Protein kinase C and casein kinase substrate in neurons 2

AlphaFold DB , UniProt , Accession A0A087Y0G5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 503 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	35.7	Very low	41.1	Very low	250 Å²	250	138.3 Å²	138.3	100%	1.232	78%	0.777	S	S	*	*				0	98.1	0	-69.5	-163.2	-169.9	0	0	109.4
2	S	39	Very low	41.8	Very low	119 Å²	119	135.3 Å²	135.3	83%	0.832	76%	0.764	S	S	*	*			trans	-96.6	105.8	173.1	53.7	0	0	0	0	108.6	A4	S2-A4 VanDerWaalsContact C-N 3.34Å; S2-A4 PolarHBondContact O-N 3.17Å
3	G	36.8	Very low	42.9	Very low	80 Å²	80	130.8 Å²	130.8	83%	0.825	75%	0.746	S	S	*	*			trans	-72.9	88.8	172.6	0	0	0	0	0	109.9
4	A	42.7	Very low	44.5	Very low	87 Å²	87	126.8 Å²	126.8	72%	0.719	73%	0.731	S	S	*	*			trans	-61.1	138.5	155.8	0	0	0	0	0	107.6	S2 D6	S2-A4 VanDerWaalsContact C-N 3.34Å; S2-A4 PolarHBondContact O-N 3.17Å; A4-D6 PolarHBondContact O-N 3.04Å
5	Y	44.1	Very low	47.2	Very low	238 Å²	238	125.2 Å²	125.2	93%	0.933	71%	0.714	S	S	*	*			trans	-57.7	98.9	173	-86.2	-97.8	0	0	0	108.9	D7	Y5-D7 PolarHBondContact O-N 3.11Å
6	D	39.4	Very low	50.2	Low	131 Å²	131	119.7 Å²	119.7	70%	0.701	69%	0.685	S	S	*	*			trans	-80.7	99.1	169.6	-175.1	33.3	0	0	0	107.7	A4 S8	A4-D6 PolarHBondContact O-N 3.04Å; D6-S8 PolarHBondContact O-N 3.12Å; D6-S8 WeakPolarHBondContact OD2-CB 3.5Å; D6-S8 PolarHBondContact OD2-OG 3.46Å
7	D	44.1	Very low	53	Low	159 Å²	159	115.6 Å²	115.6	85%	0.85	66%	0.658	S	S	*	*			trans	-79.4	55.7	168.9	-165.5	24	0	0	0	109.1	Y5	Y5-D7 PolarHBondContact O-N 3.11Å
8	S	39.8	Very low	55.4	Low	53 Å²	53	113.6 Å²	113.6	37%	0.371	64%	0.638	S	S	.	*			trans	-86.1	114.1	168.6	60	0	0	0	0	108	D6 N10	D6-S8 PolarHBondContact O-N 3.12Å; D6-S8 WeakPolarHBondContact OD2-CB 3.5Å; D6-S8 PolarHBondContact OD2-OG 3.46Å; S8-N10 PolarHBondContact O-N 3.44Å
9	M	46.3	Very low	57.5	Low	179 Å²	179	111.9 Å²	111.9	88%	0.882	63%	0.625	S	S	*	*			trans	-60.6	74	166.8	-85.7	-174.2	147.5	0	0	109.8
10	N	41.2	Very low	59.4	Low	105 Å²	105	110 Å²	110	56%	0.561	62%	0.616	S	S	*	*			trans	-74.6	145.7	160.5	-80.7	-5.2	0	0	0	108.2	S8 V12	S8-N10 PolarHBondContact O-N 3.44Å; N10-V12 VanDerWaalsContact O-CA 3.3Å; N10-V12 WeakPolarHBondContact O-CA 3.47Å; N10-V12 WeakPolarHBondContact O-CG2 3.41Å; N10-V12 PolarHBondContact O-N 3.28Å
11	D	43.1	Very low	61.1	Low	120 Å²	120	105.5 Å²	105.5	64%	0.642	59%	0.594	S	S	*	*			trans	-30.4	89.5	178.4	-164.2	-7.3	0	0	0	113.4	S13 S14	D11-S13 PolarHBondContact O-N 3.27Å; D11-S13 PolarHBondContact OD1-OG 3.13Å; D11-S14 PolarHBondContact O-N 3.4Å
12	V	50	Low	64	Low	103 Å²	103	96.1 Å²	96.1	62%	0.624	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.9	-160.5	-175.1	0	0	0	0	111.6	N10	N10-V12 VanDerWaalsContact O-CA 3.3Å; N10-V12 WeakPolarHBondContact O-CA 3.47Å; N10-V12 WeakPolarHBondContact O-CG2 3.41Å; N10-V12 PolarHBondContact O-N 3.28Å
13	S	56	Low	66.8	Low	76 Å²	76	91 Å²	91	53%	0.531	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-40.7	-174.6	71.1	0	0	0	0	113.2	D11 E19	D11-S13 PolarHBondContact O-N 3.27Å; D11-S13 PolarHBondContact OD1-OG 3.13Å; S13-E19 WeakPolarHBondContact O-CG 3.44Å
14	S	65.1	Low	69.7	Low	75 Å²	75	93.3 Å²	93.3	52%	0.524	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-19.4	-174.5	58.6	0	0	0	0	114.7	D11 N22	D11-S14 PolarHBondContact O-N 3.4Å; S14-N22 PolarHBondContact O-ND2 2.84Å
15	E	85.6	Confident	72.3	Confident	103 Å²	103	97.3 Å²	97.3	48%	0.481	50%	0.495	S	S	.	.	S	Bend	trans	-98	-0.1	177.9	-64.4	-152.2	171.1	0	0	113.8	F17 R25	E15-F17 PolarHBondContact O-N 3.03Å; E15-R25 VanDerWaalsContact CD-NH2 3.34Å; E15-R25 IonicContact OE1-NH2 3.13Å; E15-R25 IonicContact OE2-CZ 3.85Å; E15-R25 IonicContact OE2-NH1 3.27Å; E15-R25 IonicContact OE2-NH2 3.83Å; E15-R25 PolarHBondContact OE2-NH2 2.77Å
16	S	94.7	Very high	74.8	Confident	37 Å²	37	86.7 Å²	86.7	26%	0.259	46%	0.455	S	S	.	.			trans	-56.8	139.2	-179.7	173.8	0	0	0	0	111.5	W18 E19 N22	S16-W18 PolarHBondContact O-N 3.5Å; S16-W18 VanDerWaalsContact O-N 3.15Å; S16-W18 PolarHBondContact OG-N 2.65Å; S16-E19 WeakPolarHBondContact O-CB 3.16Å; S16-E19 PolarHBondContact O-N 2.79Å; S16-E19 VanDerWaalsContact O-N 3.14Å; S16-N22 WeakPolarHBondContact O-CB 3.33Å; S16-N22 PolarHBondContact O-ND2 3.46Å
17	F	96.8	Very high	77.6	Confident	50 Å²	50	81.1 Å²	81.1	22%	0.219	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.8	174.2	168.1	-99.9	0	0	0	112.5	E15 E19 F137 M225 F229	E15-F17 PolarHBondContact O-N 3.03Å; F17-E19 VanDerWaalsContact C-N 3.25Å; F17-E19 PolarHBondContact O-N 3.15Å; F17-F137 HydrophobicContact CE2-CE1 4.11Å; F17-F137 HydrophobicContact CE2-CZ 4.29Å; F17-F137 AromaticContact CZ-CE1 3.79Å; F17-F137 HydrophobicContact CZ-CE1 3.79Å; F17-F137 HydrophobicContact CZ-CZ 4.35Å; F17-M225 HydrophobicContact CE1-CB 4.22Å; F17-M225 HydrophobicContact CE1-CE 4.03Å; F17-M225 HydrophobicContact CE2-CE 4.42Å; F17-M225 HydrophobicContact CZ-CB 4.42Å; F17-M225 HydrophobicContact CZ-CE 3.77Å; F17-F229 HydrophobicContact CE2-CD2 4.04Å; F17-F229 HydrophobicContact CZ-CB 4.36Å; F17-F229 HydrophobicContact CZ-CD2 4.23Å
18	W	96.8	Very high	80.1	Confident	80 Å²	80	79.4 Å²	79.4	30%	0.303	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.9	-175.7	-59.6	113.9	0	0	0	114	S16 Y221 M222 M225 E226	S16-W18 PolarHBondContact O-N 3.5Å; S16-W18 VanDerWaalsContact O-N 3.15Å; S16-W18 PolarHBondContact OG-N 2.65Å; W18-Y221 AromaticContact CE3-CE1 3.85Å; W18-Y221 HydrophobicContact CE3-CE1 3.85Å; W18-Y221 HydrophobicContact CZ3-CE1 4.43Å; W18-Y221 PolarHBondContact O-OH 3Å; W18-M222 HydrophobicContact CE3-CG 4.34Å; W18-M222 HydrophobicContact CH2-CB 4Å; W18-M222 HydrophobicContact CH2-CE 4.13Å; W18-M222 HydrophobicContact CH2-CG 3.96Å; W18-M222 HydrophobicContact CZ2-CE 3.97Å; W18-M222 HydrophobicContact CZ3-CB 4.08Å; W18-M222 HydrophobicContact CZ3-CG 3.86Å; W18-M225 HydrophobicContact CZ3-CB 3.82Å; W18-M225 HydrophobicContact CZ3-CG 4.32Å; W18-E226 HydrophobicContact CH2-CG 3.96Å
19	E	95.8	Very high	82.9	Confident	82 Å²	82	80.5 Å²	80.5	38%	0.383	41%	0.407	S	S	.	.	S	Bend	trans	-67.6	151	175.1	-69.2	-59.5	145.9	0	0	111.5	S13 S16 F17 G21 N22 Q141	S13-E19 WeakPolarHBondContact O-CG 3.44Å; S16-E19 WeakPolarHBondContact O-CB 3.16Å; S16-E19 PolarHBondContact O-N 2.79Å; S16-E19 VanDerWaalsContact O-N 3.14Å; F17-E19 VanDerWaalsContact C-N 3.25Å; F17-E19 PolarHBondContact O-N 3.15Å; E19-G21 PolarHBondContact O-N 3.13Å; E19-G21 VanDerWaalsContact O-N 3.08Å; E19-N22 HydrophobicContact CB-CB 4.24Å; E19-N22 WeakPolarHBondContact CB-ND2 3.44Å; E19-N22 PolarHBondContact O-N 2.65Å; E19-N22 VanDerWaalsContact O-N 3.1Å; E19-Q141 PolarHBondContact O-NE2 2.97Å
20	V	96	Very high	85.3	Confident	73 Å²	73	72.2 Å²	72.2	44%	0.442	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	117.1	-174.9	-178.2	0	0	0	0	110.3	W144 A145 L148	V20-W144 HydrophobicContact CG2-CE3 4.29Å; V20-W144 HydrophobicContact CG2-CZ3 3.77Å; V20-A145 HydrophobicContact CG1-CB 4.05Å; V20-A145 HydrophobicContact CG2-CB 3.98Å; V20-L148 HydrophobicContact CG2-CD2 3.92Å
21	G	94.8	Very high	87.7	Confident	16 Å²	16	70 Å²	70	17%	0.165	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-3.9	179.9	0	0	0	0	0	116.5	E19 Y23 K24	E19-G21 PolarHBondContact O-N 3.13Å; E19-G21 VanDerWaalsContact O-N 3.08Å; G21-Y23 PolarHBondContact O-N 3.02Å; G21-K24 WeakPolarHBondContact O-CB 3.46Å; G21-K24 WeakPolarHBondContact O-CD 3.4Å; G21-K24 WeakPolarHBondContact O-CG 3.25Å; G21-K24 PolarHBondContact O-N 3Å
22	N	97.1	Very high	90.3	Very high	53 Å²	53	66.8 Å²	66.8	28%	0.283	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.8	-179.4	-82.4	4.5	0	0	0	113.7	S14 S16 E19 K24 R25	S14-N22 PolarHBondContact O-ND2 2.84Å; S16-N22 WeakPolarHBondContact O-CB 3.33Å; S16-N22 PolarHBondContact O-ND2 3.46Å; E19-N22 HydrophobicContact CB-CB 4.24Å; E19-N22 WeakPolarHBondContact CB-ND2 3.44Å; E19-N22 PolarHBondContact O-N 2.65Å; E19-N22 VanDerWaalsContact O-N 3.1Å; N22-K24 PolarHBondContact O-N 3.28Å; N22-R25 PolarHBondContact O-N 3.35Å
23	Y	97.6	Very high	92.6	Very high	12 Å²	12	61.9 Å²	61.9	5%	0.047	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.1	168.9	68.2	-104	0	0	0	113.5	G21 R25 T26 V27 D134 F137 R138 Q141 M225	G21-Y23 PolarHBondContact O-N 3.02Å; Y23-R25 PolarHBondContact O-N 2.97Å; Y23-R25 VanDerWaalsContact O-N 3.16Å; Y23-T26 WeakPolarHBondContact O-CA 3.4Å; Y23-T26 VanDerWaalsContact O-CB 3.3Å; Y23-T26 WeakPolarHBondContact O-CB 3.49Å; Y23-T26 PolarHBondContact O-N 3.05Å; Y23-V27 HydrophobicContact CD2-CG2 3.91Å; Y23-V27 HydrophobicContact CE2-CG2 4.16Å; Y23-V27 PolarHBondContact O-N 3.47Å; Y23-D134 VanDerWaalsContact CE2-OD1 3.3Å; Y23-D134 WeakPolarHBondContact CE2-OD1 3.47Å; Y23-D134 PolarHBondContact OH-OD1 3.41Å; Y23-F137 HydrophobicContact CD1-CB 3.85Å; Y23-F137 HydrophobicContact CD1-CG 4.32Å; Y23-F137 HydrophobicContact CD2-CB 3.29Å; Y23-F137 HydrophobicContact CD2-CD1 4.38Å; Y23-F137 AromaticContact CD2-CD2 3.47Å; Y23-F137 HydrophobicContact CD2-CD2 3.47Å; Y23-F137 VanDerWaalsContact CD2-CD2 3.47Å; Y23-F137 HydrophobicContact CD2-CE2 4.36Å; Y23-F137 AromaticContact CD2-CG 3.48Å; Y23-F137 HydrophobicContact CD2-CG 3.48Å; Y23-F137 VanDerWaalsContact CD2-CG 3.48Å; Y23-F137 HydrophobicContact CE1-CB 3.94Å; Y23-F137 HydrophobicContact CE2-CB 3.42Å; Y23-F137 VanDerWaalsContact CE2-CB 3.42Å; Y23-F137 HydrophobicContact CE2-CD2 4.2Å; Y23-F137 HydrophobicContact CE2-CG 4.11Å; Y23-F137 HydrophobicContact CG-CB 3.54Å; Y23-F137 HydrophobicContact CG-CD1 4.09Å; Y23-F137 AromaticContact CG-CD2 3.96Å; Y23-F137 HydrophobicContact CG-CD2 3.96Å; Y23-F137 AromaticContact CG-CG 3.62Å; Y23-F137 HydrophobicContact CG-CG 3.62Å; Y23-R138 WeakPolarHBondContact OH-CG 3.43Å; Y23-Q141 VanDerWaalsContact CE1-OE1 3.3Å; Y23-M225 HydrophobicContact CD1-CE 4.04Å; Y23-M225 HydrophobicContact CG-CE 4.37Å
24	K	97.1	Very high	94.5	Very high	128 Å²	128	59.1 Å²	59.1	56%	0.557	29%	0.287	S	S	*	.	H	α-helix	trans	-55.8	-28.5	176.7	-77.5	175.8	-178.7	-179.3	0	113.6	G21 N22 T26 V27 K28	G21-K24 WeakPolarHBondContact O-CB 3.46Å; G21-K24 WeakPolarHBondContact O-CD 3.4Å; G21-K24 WeakPolarHBondContact O-CG 3.25Å; G21-K24 PolarHBondContact O-N 3Å; N22-K24 PolarHBondContact O-N 3.28Å; K24-T26 VanDerWaalsContact C-N 3.29Å; K24-T26 PolarHBondContact O-N 3.25Å; K24-V27 PolarHBondContact O-N 2.89Å; K24-K28 WeakPolarHBondContact O-CB 3.45Å; K24-K28 PolarHBondContact O-N 3.49Å
25	R	96.6	Very high	96.1	Very high	171 Å²	171	63.2 Å²	63.2	65%	0.645	29%	0.291	S	S	*	.	H	α-helix	trans	-60	-41.4	172.9	-70.5	-169.3	-179.4	-171.2	7	111.2	E15 N22 Y23 R29	E15-R25 VanDerWaalsContact CD-NH2 3.34Å; E15-R25 IonicContact OE1-NH2 3.13Å; E15-R25 IonicContact OE2-CZ 3.85Å; E15-R25 IonicContact OE2-NH1 3.27Å; E15-R25 IonicContact OE2-NH2 3.83Å; E15-R25 PolarHBondContact OE2-NH2 2.77Å; N22-R25 PolarHBondContact O-N 3.35Å; Y23-R25 PolarHBondContact O-N 2.97Å; Y23-R25 VanDerWaalsContact O-N 3.16Å; R25-R29 PolarHBondContact O-N 2.97Å
26	T	97.8	Very high	96.7	Very high	14 Å²	14	61.5 Å²	61.5	9%	0.086	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-44	176.6	-52.4	0	0	0	0	111.9	Y23 K24 R29 F137 F229 S232	Y23-T26 WeakPolarHBondContact O-CA 3.4Å; Y23-T26 VanDerWaalsContact O-CB 3.3Å; Y23-T26 WeakPolarHBondContact O-CB 3.49Å; Y23-T26 PolarHBondContact O-N 3.05Å; K24-T26 VanDerWaalsContact C-N 3.29Å; K24-T26 PolarHBondContact O-N 3.25Å; T26-R29 WeakPolarHBondContact O-CB 3.42Å; T26-R29 PolarHBondContact O-N 2.85Å; T26-F137 HydrophobicContact CG2-CE2 4.03Å; T26-F137 HydrophobicContact CG2-CZ 4.1Å; T26-F229 HydrophobicContact CG2-CD2 3.88Å; T26-F229 HydrophobicContact CG2-CE2 4.05Å; T26-S232 WeakPolarHBondContact CG2-OG 3.32Å
27	V	97.9	Very high	96.9	Very high	14 Å²	14	59.8 Å²	59.8	9%	0.085	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-46.5	176.1	175.8	0	0	0	0	110.8	Y23 K24 R29 V30 T130 T133 D134 F137	Y23-V27 HydrophobicContact CD2-CG2 3.91Å; Y23-V27 HydrophobicContact CE2-CG2 4.16Å; Y23-V27 PolarHBondContact O-N 3.47Å; K24-V27 PolarHBondContact O-N 2.89Å; V27-R29 PolarHBondContact O-N 3.17Å; V27-V30 VanDerWaalsContact O-CB 3.31Å; V27-V30 WeakPolarHBondContact O-CB 3.45Å; V27-V30 PolarHBondContact O-N 3.24Å; V27-T130 HydrophobicContact CG1-CG2 3.57Å; V27-T133 HydrophobicContact CG2-CG2 4.09Å; V27-D134 HydrophobicContact CG1-CB 4.03Å; V27-D134 HydrophobicContact CG2-CB 4.15Å; V27-F137 HydrophobicContact CG2-CD2 3.86Å; V27-F137 HydrophobicContact CG2-CE2 4.26Å
28	K	97.1	Very high	97	Very high	124 Å²	124	59.2 Å²	59.2	54%	0.539	28%	0.275	S	S	.	.	H	α-helix	trans	-58.4	-37.5	178.5	-168.1	-162.6	173	-148.8	0	111.9	K24 V30 D31 D32	K24-K28 WeakPolarHBondContact O-CB 3.45Å; K24-K28 PolarHBondContact O-N 3.49Å; K28-V30 PolarHBondContact O-N 2.99Å; K28-D31 PolarHBondContact O-N 3.47Å; K28-D31 VanDerWaalsContact O-N 3.12Å; K28-D32 WeakPolarHBondContact CE-OD2 3.38Å; K28-D32 IonicContact NZ-OD2 2.98Å; K28-D32 PolarHBondContact NZ-OD2 3.4Å; K28-D32 WeakPolarHBondContact O-CB 3.44Å; K28-D32 PolarHBondContact O-N 2.95Å
29	R	97.8	Very high	97.1	Very high	76 Å²	76	58.6 Å²	58.6	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-29.2	177.8	-165	178.9	66.3	-171.7	-3.1	112.8	R25 T26 V27 G33 Q233 E236	R25-R29 PolarHBondContact O-N 2.97Å; T26-R29 WeakPolarHBondContact O-CB 3.42Å; T26-R29 PolarHBondContact O-N 2.85Å; V27-R29 PolarHBondContact O-N 3.17Å; R29-G33 PolarHBondContact O-N 3.34Å; R29-Q233 VanDerWaalsContact CZ-OE1 3.25Å; R29-E236 IonicContact NE-OE2 3.59Å
30	V	96.6	Very high	97.2	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-50	174.8	-177.2	0	0	0	0	110.4	V27 K28 G33 Y119 E129 T130 F235	V27-V30 VanDerWaalsContact O-CB 3.31Å; V27-V30 WeakPolarHBondContact O-CB 3.45Å; V27-V30 PolarHBondContact O-N 3.24Å; K28-V30 PolarHBondContact O-N 2.99Å; V30-G33 PolarHBondContact O-N 3.14Å; V30-Y119 HydrophobicContact CG1-CE1 4.37Å; V30-Y119 VanDerWaalsContact O-CE1 3.28Å; V30-Y119 WeakPolarHBondContact O-CE1 3.46Å; V30-E129 HydrophobicContact CG1-CB 3.98Å; V30-T130 WeakPolarHBondContact CG1-OG1 3.39Å; V30-F235 HydrophobicContact CG1-CD1 4.21Å; V30-F235 HydrophobicContact CG1-CE1 3.85Å
31	D	92.1	Very high	97.3	Very high	58 Å²	58	53 Å²	53	31%	0.31	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-46.7	175.5	-77	-27.1	0	0	0	112.2	K28 G33 N34 R35 T130	K28-D31 PolarHBondContact O-N 3.47Å; K28-D31 VanDerWaalsContact O-N 3.12Å; D31-G33 PolarHBondContact O-N 2.99Å; D31-N34 PolarHBondContact O-N 3.23Å; D31-R35 PolarHBondContact O-N 3.06Å; D31-T130 VanDerWaalsContact CG-CG2 3.45Å; D31-T130 VanDerWaalsContact OD1-CB 3.25Å; D31-T130 WeakPolarHBondContact OD1-CB 3.44Å; D31-T130 VanDerWaalsContact OD1-CG2 3.26Å; D31-T130 WeakPolarHBondContact OD1-CG2 3.35Å; D31-T130 PolarHBondContact OD1-OG1 3.09Å; D31-T130 VanDerWaalsContact OD2-CG2 3.26Å; D31-T130 WeakPolarHBondContact OD2-CG2 3.39Å
32	D	96.8	Very high	97.5	Very high	53 Å²	53	56.3 Å²	56.3	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-58.4	-31.6	178.4	-72.2	-20	0	0	0	110.4	K28 N34 R35 L36	K28-D32 WeakPolarHBondContact CE-OD2 3.38Å; K28-D32 IonicContact NZ-OD2 2.98Å; K28-D32 PolarHBondContact NZ-OD2 3.4Å; K28-D32 WeakPolarHBondContact O-CB 3.44Å; K28-D32 PolarHBondContact O-N 2.95Å; D32-N34 PolarHBondContact O-N 3.44Å; D32-R35 WeakPolarHBondContact O-CB 3.44Å; D32-R35 PolarHBondContact O-N 3.38Å; D32-L36 VanDerWaalsContact O-CG 3.28Å; D32-L36 WeakPolarHBondContact O-CG 2.87Å; D32-L36 PolarHBondContact O-N 3.15Å
33	G	97.6	Very high	97.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-38.3	175	0	0	0	0	0	114.6	R29 V30 D31 L36 C37 Y119	R29-G33 PolarHBondContact O-N 3.34Å; V30-G33 PolarHBondContact O-N 3.14Å; D31-G33 PolarHBondContact O-N 2.99Å; G33-L36 PolarHBondContact O-N 3.43Å; G33-C37 PolarHBondContact O-N 2.91Å; G33-C37 PolarHBondContact O-SG 3.33Å; G33-Y119 WeakPolarHBondContact CA-OH 3.27Å
34	N	97.3	Very high	97.7	Very high	18 Å²	18	57.1 Å²	57.1	10%	0.096	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-44	172.8	173.6	89.4	0	0	0	110.4	D31 D32 L36 C37 S38 Q115 Y119 Y127	D31-N34 PolarHBondContact O-N 3.23Å; D32-N34 PolarHBondContact O-N 3.44Å; N34-L36 VanDerWaalsContact C-N 3.34Å; N34-L36 PolarHBondContact O-N 3.31Å; N34-C37 WeakPolarHBondContact O-CB 3.24Å; N34-C37 PolarHBondContact O-N 2.99Å; N34-S38 PolarHBondContact O-N 3.02Å; N34-Q115 PolarHBondContact O-NE2 3.01Å; N34-Q115 WeakPolarHBondContact OD1-CG 3.49Å; N34-Q115 PolarHBondContact OD1-NE2 3.24Å; N34-Y119 HydrophobicContact CB-CD1 3.77Å; N34-Y119 HydrophobicContact CB-CD2 3.92Å; N34-Y119 HydrophobicContact CB-CE1 3.87Å; N34-Y119 HydrophobicContact CB-CE2 4.03Å; N34-Y119 HydrophobicContact CB-CG 3.78Å; N34-Y119 VanDerWaalsContact N-CZ 3.35Å; N34-Y119 PolarHBondContact N-OH 3.23Å; N34-Y127 HydrophobicContact CB-CE1 4.49Å; N34-Y127 HydrophobicContact CB-CE2 4.06Å; N34-Y127 PolarHBondContact ND2-OH 2.95Å; N34-Y127 PolarHBondContact OD1-OH 3.09Å
35	R	97.7	Very high	97.7	Very high	160 Å²	160	53.4 Å²	53.4	60%	0.604	26%	0.256	S	S	*	.	H	α-helix	trans	-58.9	-45.7	177.8	177.3	-174.9	170.1	167.9	4.3	111.4	D31 D32 C37 S38 D39	D31-R35 PolarHBondContact O-N 3.06Å; D32-R35 WeakPolarHBondContact O-CB 3.44Å; D32-R35 PolarHBondContact O-N 3.38Å; R35-C37 PolarHBondContact O-N 3.37Å; R35-S38 WeakPolarHBondContact O-CA 3.47Å; R35-S38 WeakPolarHBondContact O-CB 3.42Å; R35-S38 PolarHBondContact O-N 2.99Å; R35-D39 IonicContact NE-OD2 2.85Å; R35-D39 PolarHBondContact O-N 3.01Å
36	L	98.6	Very high	97.8	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.356	25%	0.25	S	S	.	.	H	α-helix	trans	-60.4	-30.3	178.6	-72.6	169.9	0	0	0	113	D32 G33 N34 L40 F243	D32-L36 VanDerWaalsContact O-CG 3.28Å; D32-L36 WeakPolarHBondContact O-CG 2.87Å; D32-L36 PolarHBondContact O-N 3.15Å; G33-L36 PolarHBondContact O-N 3.43Å; N34-L36 VanDerWaalsContact C-N 3.34Å; N34-L36 PolarHBondContact O-N 3.31Å; L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-F243 HydrophobicContact CB-CE2 4.49Å; L36-F243 HydrophobicContact CB-CZ 4.38Å
37	C	98.6	Very high	97.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-42.1	171.8	-61.1	0	0	0	0	111.3	G33 N34 R35 L40 M41 L111 W114 Q115	G33-C37 PolarHBondContact O-N 2.91Å; G33-C37 PolarHBondContact O-SG 3.33Å; N34-C37 WeakPolarHBondContact O-CB 3.24Å; N34-C37 PolarHBondContact O-N 2.99Å; R35-C37 PolarHBondContact O-N 3.37Å; C37-L40 PolarHBondContact O-N 3.44Å; C37-M41 WeakPolarHBondContact O-CG 3.4Å; C37-M41 PolarHBondContact O-N 3.48Å; C37-L111 HydrophobicContact CB-CD1 3.95Å; C37-W114 VanDerWaalsContact SG-CZ3 3.59Å; C37-Q115 HydrophobicContact CB-CB 4.05Å; C37-Q115 HydrophobicContact CB-CG 3.81Å
38	S	98.4	Very high	97.9	Very high	38 Å²	38	54 Å²	54	27%	0.266	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-42.9	174.4	-58.6	0	0	0	0	112.3	N34 R35 L40 M41 N42 Q115	N34-S38 PolarHBondContact O-N 3.02Å; R35-S38 WeakPolarHBondContact O-CA 3.47Å; R35-S38 WeakPolarHBondContact O-CB 3.42Å; R35-S38 PolarHBondContact O-N 2.99Å; S38-L40 VanDerWaalsContact C-N 3.32Å; S38-L40 PolarHBondContact O-N 3.28Å; S38-M41 PolarHBondContact O-N 3.48Å; S38-N42 PolarHBondContact O-N 2.97Å; S38-N42 PolarHBondContact O-ND2 2.86Å; S38-Q115 PolarHBondContact OG-NE2 3.32Å
39	D	98.8	Very high	98	Very high	68 Å²	68	55.3 Å²	55.3	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-42.6	177.8	-63.8	-16	0	0	0	110.8	R35 N42 C43	R35-D39 IonicContact NE-OD2 2.85Å; R35-D39 PolarHBondContact O-N 3.01Å; D39-N42 PolarHBondContact O-N 2.89Å; D39-C43 WeakPolarHBondContact O-CB 3.36Å; D39-C43 PolarHBondContact O-N 3Å
40	L	98.8	Very high	98.1	Very high	25 Å²	25	57 Å²	57	13%	0.131	28%	0.275	C	S	.	.	H	α-helix	trans	-69.3	-38.1	176.4	-178.4	59.6	0	0	0	112.7	L36 C37 S38 N42 C43 I44 L111 F243 L246 L247	L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 PolarHBondContact O-N 3.44Å; C37-L40 PolarHBondContact O-N 3.44Å; S38-L40 VanDerWaalsContact C-N 3.32Å; S38-L40 PolarHBondContact O-N 3.28Å; L40-N42 VanDerWaalsContact C-N 3.33Å; L40-N42 PolarHBondContact O-N 3.02Å; L40-C43 WeakPolarHBondContact O-CB 3.35Å; L40-C43 PolarHBondContact O-N 3.28Å; L40-I44 HydrophobicContact CD1-CD1 4.27Å; L40-I44 HydrophobicContact CD1-CG1 4.33Å; L40-I44 HydrophobicContact CG-CD1 4.13Å; L40-I44 WeakPolarHBondContact O-CG1 3.3Å; L40-I44 PolarHBondContact O-N 3.48Å; L40-L111 HydrophobicContact CB-CD2 3.82Å; L40-L111 HydrophobicContact CD2-CD2 3.88Å; L40-L111 HydrophobicContact CG-CD2 3.68Å; L40-F243 HydrophobicContact CB-CE2 4.3Å; L40-F243 HydrophobicContact CB-CZ 4.4Å; L40-F243 HydrophobicContact CD2-CD1 4.5Å; L40-F243 HydrophobicContact CD2-CD2 3.84Å; L40-F243 HydrophobicContact CD2-CE1 4.34Å; L40-F243 HydrophobicContact CD2-CE2 3.68Å; L40-F243 HydrophobicContact CD2-CG 4.26Å; L40-F243 HydrophobicContact CD2-CZ 3.94Å; L40-L246 HydrophobicContact CD2-CD2 3.91Å; L40-L247 HydrophobicContact CD1-CD2 4.2Å
41	M	98.8	Very high	98.2	Very high	13 Å²	13	57.4 Å²	57.4	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-45.3	172.9	-80.7	-169.9	-65.1	0	0	111.5	C37 S38 I44 H45 Y108 L111 K112	C37-M41 WeakPolarHBondContact O-CG 3.4Å; C37-M41 PolarHBondContact O-N 3.48Å; S38-M41 PolarHBondContact O-N 3.48Å; M41-I44 PolarHBondContact O-N 3.47Å; M41-H45 WeakPolarHBondContact O-CB 3.49Å; M41-H45 PolarHBondContact O-N 3.28Å; M41-Y108 HydrophobicContact CB-CD2 3.97Å; M41-Y108 HydrophobicContact CB-CE2 3.64Å; M41-Y108 HydrophobicContact CG-CD2 4.15Å; M41-Y108 HydrophobicContact CG-CE2 4.04Å; M41-Y108 HydrophobicContact SD-CE2 4.26Å; M41-L111 HydrophobicContact CB-CD2 4.2Å; M41-L111 HydrophobicContact CG-CB 4.17Å; M41-L111 HydrophobicContact CG-CD2 3.38Å; M41-L111 HydrophobicContact CG-CG 3.57Å; M41-L111 HydrophobicContact SD-CG 4.41Å; M41-K112 HydrophobicContact SD-CB 3.65Å; M41-K112 HydrophobicContact SD-CG 4.21Å
42	N	98.8	Very high	98.5	Very high	84 Å²	84	59.4 Å²	59.4	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-44.4	177.7	-70.1	-19.2	0	0	0	111.3	S38 D39 L40 I44 H45 E46	S38-N42 PolarHBondContact O-N 2.97Å; S38-N42 PolarHBondContact O-ND2 2.86Å; D39-N42 PolarHBondContact O-N 2.89Å; L40-N42 VanDerWaalsContact C-N 3.33Å; L40-N42 PolarHBondContact O-N 3.02Å; N42-I44 PolarHBondContact O-N 2.98Å; N42-H45 PolarHBondContact O-N 3.4Å; N42-E46 WeakPolarHBondContact O-CB 3.47Å; N42-E46 WeakPolarHBondContact O-CG 3.38Å; N42-E46 PolarHBondContact O-N 3.08Å
43	C	98.9	Very high	98.6	Very high	74 Å²	74	59 Å²	59	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-56.2	-46.9	175.2	179.5	0	0	0	0	112.4	D39 L40 R47	D39-C43 WeakPolarHBondContact O-CB 3.36Å; D39-C43 PolarHBondContact O-N 3Å; L40-C43 WeakPolarHBondContact O-CB 3.35Å; L40-C43 PolarHBondContact O-N 3.28Å; C43-R47 WeakPolarHBondContact O-CB 3.39Å; C43-R47 PolarHBondContact O-N 3.18Å; C43-R47 VanDerWaalsContact O-N 3.08Å
44	I	98.9	Very high	98.7	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-43.4	176.5	-67.7	168.4	0	0	0	110.9	L40 M41 N42 R47 A48 L103 D107 L111 L246 V250	L40-I44 HydrophobicContact CD1-CD1 4.27Å; L40-I44 HydrophobicContact CD1-CG1 4.33Å; L40-I44 HydrophobicContact CG-CD1 4.13Å; L40-I44 WeakPolarHBondContact O-CG1 3.3Å; L40-I44 PolarHBondContact O-N 3.48Å; M41-I44 PolarHBondContact O-N 3.47Å; N42-I44 PolarHBondContact O-N 2.98Å; I44-R47 PolarHBondContact O-N 2.83Å; I44-A48 WeakPolarHBondContact O-CB 3.4Å; I44-A48 PolarHBondContact O-N 3.23Å; I44-L103 HydrophobicContact CG2-CB 4.06Å; I44-L103 HydrophobicContact CG2-CD2 4.35Å; I44-L103 WeakPolarHBondContact CG2-O 3.47Å; I44-D107 HydrophobicContact CD1-CB 4.43Å; I44-L111 HydrophobicContact CD1-CD2 4.37Å; I44-L246 HydrophobicContact CD1-CD2 4.42Å; I44-V250 HydrophobicContact CD1-CG2 4.03Å; I44-V250 HydrophobicContact CG1-CG2 4.42Å
45	H	98.8	Very high	98.7	Very high	50 Å²	50	63.4 Å²	63.4	23%	0.231	30%	0.303	C	S	.	.	H	α-helix	trans	-62	-48	179.9	-166.9	138.7	0	0	0	111.5	M41 N42 R47 A48 R49 M104 Y108	M41-H45 WeakPolarHBondContact O-CB 3.49Å; M41-H45 PolarHBondContact O-N 3.28Å; N42-H45 PolarHBondContact O-N 3.4Å; H45-R47 VanDerWaalsContact C-N 3.33Å; H45-R47 PolarHBondContact O-N 2.91Å; H45-A48 WeakPolarHBondContact O-CB 3.49Å; H45-A48 PolarHBondContact O-N 3.05Å; H45-A48 VanDerWaalsContact O-N 3.15Å; H45-R49 VanDerWaalsContact CD2-CZ 3.47Å; H45-R49 PolarHBondContact CD2-NE 3.17Å; H45-R49 PolarHBondContact CD2-NH2 3.24Å; H45-R49 PolarHBondContact NE2-NE 2.92Å; H45-R49 VanDerWaalsContact NE2-NE 3.14Å; H45-R49 PolarHBondContact NE2-NH2 3.08Å; H45-R49 PolarHBondContact O-N 2.94Å; H45-M104 HydrophobicContact CB-CE 4.48Å; H45-M104 HydrophobicContact CB-SD 4.26Å; H45-Y108 HydrophobicContact CB-CD2 4.4Å; H45-Y108 HydrophobicContact CB-CE2 4.28Å
46	E	98.8	Very high	98.8	Very high	114 Å²	114	60 Å²	60	53%	0.533	30%	0.297	S	S	.	.	H	α-helix	trans	-59.6	-45.1	177.4	-74.6	172	-162.9	0	0	111.1	N42 A48 R49 I50	N42-E46 WeakPolarHBondContact O-CB 3.47Å; N42-E46 WeakPolarHBondContact O-CG 3.38Å; N42-E46 PolarHBondContact O-N 3.08Å; E46-A48 VanDerWaalsContact C-N 3.32Å; E46-A48 PolarHBondContact O-N 3.24Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 3.42Å; E46-R49 VanDerWaalsContact O-N 3.14Å; E46-I50 PolarHBondContact O-N 2.84Å; E46-I50 VanDerWaalsContact O-N 3.16Å
47	R	98.9	Very high	98.8	Very high	97 Å²	97	63.6 Å²	63.6	37%	0.366	31%	0.311	S	S	.	.	H	α-helix	trans	-57.6	-45.6	173.2	176.7	56.6	-175.5	-82.6	1.7	111.8	C43 I44 H45 R49 I50 E51 L103 L254	C43-R47 WeakPolarHBondContact O-CB 3.39Å; C43-R47 PolarHBondContact O-N 3.18Å; C43-R47 VanDerWaalsContact O-N 3.08Å; I44-R47 PolarHBondContact O-N 2.83Å; H45-R47 VanDerWaalsContact C-N 3.33Å; H45-R47 PolarHBondContact O-N 2.91Å; R47-R49 VanDerWaalsContact C-N 3.27Å; R47-R49 PolarHBondContact O-N 3.24Å; R47-I50 WeakPolarHBondContact O-CB 3.49Å; R47-I50 PolarHBondContact O-N 3.03Å; R47-I50 VanDerWaalsContact O-N 3.1Å; R47-E51 IonicContact CZ-OE1 3.56Å; R47-E51 IonicContact NE-OE1 3.4Å; R47-E51 PolarHBondContact NE-OE1 2.76Å; R47-E51 IonicContact NH2-OE1 2.59Å; R47-E51 PolarHBondContact NH2-OE1 3.33Å; R47-E51 WeakPolarHBondContact O-CG 3.39Å; R47-E51 PolarHBondContact O-N 2.99Å; R47-E51 VanDerWaalsContact O-N 3.11Å; R47-L103 HydrophobicContact CG-CD1 4.06Å; R47-L254 HydrophobicContact CG-CD2 4.37Å; R47-L254 VanDerWaalsContact CZ-CD2 3.47Å
48	A	98.9	Very high	98.8	Very high	2 Å²	2	64.8 Å²	64.8	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-32.3	178.7	0	0	0	0	0	112.8	I44 H45 E46 E51 K52 K100 L103 M104	I44-A48 WeakPolarHBondContact O-CB 3.4Å; I44-A48 PolarHBondContact O-N 3.23Å; H45-A48 WeakPolarHBondContact O-CB 3.49Å; H45-A48 PolarHBondContact O-N 3.05Å; H45-A48 VanDerWaalsContact O-N 3.15Å; E46-A48 VanDerWaalsContact C-N 3.32Å; E46-A48 PolarHBondContact O-N 3.24Å; A48-E51 PolarHBondContact O-N 2.97Å; A48-K52 PolarHBondContact O-N 3.38Å; A48-K52 VanDerWaalsContact O-N 3.09Å; A48-K100 HydrophobicContact CB-CG 4.08Å; A48-K100 WeakPolarHBondContact O-CG 3.46Å; A48-L103 HydrophobicContact CB-CB 4.07Å; A48-L103 HydrophobicContact CB-CD1 4Å; A48-M104 HydrophobicContact CB-CG 3.75Å; A48-M104 HydrophobicContact CB-SD 3.7Å
49	R	98.8	Very high	98.8	Very high	150 Å²	150	65.7 Å²	65.7	57%	0.566	32%	0.321	S	S	*	.	H	α-helix	trans	-66.8	-39.3	172.8	-71.1	178	-172.1	156.5	2.9	112.2	H45 E46 R47 K52 A53	H45-R49 VanDerWaalsContact CD2-CZ 3.47Å; H45-R49 PolarHBondContact CD2-NE 3.17Å; H45-R49 PolarHBondContact CD2-NH2 3.24Å; H45-R49 PolarHBondContact NE2-NE 2.92Å; H45-R49 VanDerWaalsContact NE2-NE 3.14Å; H45-R49 PolarHBondContact NE2-NH2 3.08Å; H45-R49 PolarHBondContact O-N 2.94Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 3.42Å; E46-R49 VanDerWaalsContact O-N 3.14Å; R47-R49 VanDerWaalsContact C-N 3.27Å; R47-R49 PolarHBondContact O-N 3.24Å; R49-K52 PolarHBondContact O-N 3.33Å; R49-A53 WeakPolarHBondContact O-CB 3.43Å; R49-A53 PolarHBondContact O-N 3.33Å
50	I	98.9	Very high	98.8	Very high	111 Å²	111	67.8 Å²	67.8	57%	0.569	33%	0.329	S	S	*	.	H	α-helix	trans	-61	-47.1	175.8	-63.9	168.1	0	0	0	110	E46 R47 K52 A53 Y54	E46-I50 PolarHBondContact O-N 2.84Å; E46-I50 VanDerWaalsContact O-N 3.16Å; R47-I50 WeakPolarHBondContact O-CB 3.49Å; R47-I50 PolarHBondContact O-N 3.03Å; R47-I50 VanDerWaalsContact O-N 3.1Å; I50-K52 VanDerWaalsContact C-N 3.33Å; I50-K52 PolarHBondContact O-N 3.3Å; I50-A53 PolarHBondContact O-N 2.87Å; I50-A53 VanDerWaalsContact O-N 3.15Å; I50-Y54 PolarHBondContact O-N 2.84Å
51	E	98.9	Very high	98.8	Very high	14 Å²	14	71.6 Å²	71.6	7%	0.065	34%	0.342	C	S	.	.	H	α-helix	trans	-57.7	-45.5	177.1	-61.6	-59.1	157.9	0	0	111.6	R47 A48 A53 A55 H96 V99 K100 L103	R47-E51 IonicContact CZ-OE1 3.56Å; R47-E51 IonicContact NE-OE1 3.4Å; R47-E51 PolarHBondContact NE-OE1 2.76Å; R47-E51 IonicContact NH2-OE1 2.59Å; R47-E51 PolarHBondContact NH2-OE1 3.33Å; R47-E51 WeakPolarHBondContact O-CG 3.39Å; R47-E51 PolarHBondContact O-N 2.99Å; R47-E51 VanDerWaalsContact O-N 3.11Å; A48-E51 PolarHBondContact O-N 2.97Å; E51-A53 PolarHBondContact O-N 3.5Å; E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.05Å; E51-A55 VanDerWaalsContact O-N 3.12Å; E51-H96 IonicContact OE2-CE1 2.81Å; E51-H96 PolarHBondContact OE2-CE1 3.45Å; E51-H96 IonicContact OE2-CG 3.83Å; E51-H96 IonicContact OE2-ND1 3.92Å; E51-H96 PolarHBondContact OE2-ND1 2.94Å; E51-V99 HydrophobicContact CG-CG1 4.03Å; E51-K100 HydrophobicContact CB-CB 4.07Å; E51-L103 HydrophobicContact CG-CD1 4.36Å
52	K	98.8	Very high	98.8	Very high	101 Å²	101	71 Å²	71	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-44.6	175.1	-177.9	-179.8	175.7	-173.4	0	112.2	A48 R49 I50 A55 L56 L97 K100	A48-K52 PolarHBondContact O-N 3.38Å; A48-K52 VanDerWaalsContact O-N 3.09Å; R49-K52 PolarHBondContact O-N 3.33Å; I50-K52 VanDerWaalsContact C-N 3.33Å; I50-K52 PolarHBondContact O-N 3.3Å; K52-A55 PolarHBondContact O-N 3.34Å; K52-L56 HydrophobicContact CG-CD1 4.02Å; K52-L56 HydrophobicContact CG-CG 4.28Å; K52-L56 WeakPolarHBondContact O-CG 3.33Å; K52-L56 PolarHBondContact O-N 3.07Å; K52-L97 HydrophobicContact CG-CD2 4.28Å; K52-K100 HydrophobicContact CB-CG 4.17Å
53	A	98.8	Very high	98.8	Very high	45 Å²	45	72.3 Å²	72.3	37%	0.372	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-43.7	-176.8	0	0	0	0	0	111.5	R49 I50 E51 L56 Q57	R49-A53 WeakPolarHBondContact O-CB 3.43Å; R49-A53 PolarHBondContact O-N 3.33Å; I50-A53 PolarHBondContact O-N 2.87Å; I50-A53 VanDerWaalsContact O-N 3.15Å; E51-A53 PolarHBondContact O-N 3.5Å; A53-L56 PolarHBondContact O-N 2.88Å; A53-Q57 WeakPolarHBondContact O-CG 3.23Å; A53-Q57 PolarHBondContact O-N 2.95Å; A53-Q57 VanDerWaalsContact O-N 3.09Å
54	Y	98.9	Very high	98.7	Very high	109 Å²	109	76.4 Å²	76.4	43%	0.427	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-48.1	175.2	178.2	-118.5	0	0	0	111.7	I50 L56 Q57 L58 V92 H96	I50-Y54 PolarHBondContact O-N 2.84Å; Y54-L56 PolarHBondContact O-N 2.99Å; Y54-Q57 PolarHBondContact O-N 2.99Å; Y54-L58 HydrophobicContact CD1-CD1 4.09Å; Y54-L58 HydrophobicContact CE1-CD1 3.55Å; Y54-L58 HydrophobicContact CE1-CG 4.36Å; Y54-L58 HydrophobicContact CE2-CD1 4.15Å; Y54-L58 HydrophobicContact CE2-CD2 4.28Å; Y54-L58 HydrophobicContact CE2-CG 4.11Å; Y54-L58 PolarHBondContact O-N 3.44Å; Y54-V92 HydrophobicContact CE1-CG1 4.14Å; Y54-H96 AromaticContact CD1-CD2 3.84Å; Y54-H96 AromaticContact CD1-CE1 3.75Å; Y54-H96 AromaticContact CD1-CG 3.8Å; Y54-H96 AromaticContact CD1-ND1 3.74Å; Y54-H96 AromaticContact CD1-NE2 3.82Å; Y54-H96 AromaticContact CE1-CD2 3.73Å; Y54-H96 AromaticContact CE1-CE1 3.84Å; Y54-H96 AromaticContact CE1-NE2 3.51Å
55	A	98.8	Very high	98.7	Very high	0 Å²	0	80.5 Å²	80.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-57.4	-47.6	177.6	0	0	0	0	0	112.5	E51 K52 Q57 L58 T59 S93 H96 L97	E51-A55 WeakPolarHBondContact O-CB 3.49Å; E51-A55 PolarHBondContact O-N 3.05Å; E51-A55 VanDerWaalsContact O-N 3.12Å; K52-A55 PolarHBondContact O-N 3.34Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-Q57 PolarHBondContact O-N 2.69Å; A55-L58 WeakPolarHBondContact O-CB 3.34Å; A55-L58 PolarHBondContact O-N 2.94Å; A55-T59 PolarHBondContact O-N 3.07Å; A55-T59 PolarHBondContact O-OG1 3.16Å; A55-S93 VanDerWaalsContact C-OG 3.26Å; A55-S93 WeakPolarHBondContact CA-OG 3.43Å; A55-S93 WeakPolarHBondContact CB-O 3.4Å; A55-S93 WeakPolarHBondContact CB-OG 3.37Å; A55-S93 WeakPolarHBondContact O-CB 3.37Å; A55-S93 PolarHBondContact O-OG 3.42Å; A55-H96 HydrophobicContact CB-CB 3.99Å; A55-L97 HydrophobicContact CB-CD2 3.86Å; A55-L97 HydrophobicContact CB-CG 3.76Å
56	L	98.7	Very high	98.7	Very high	90 Å²	90	80.9 Å²	80.9	47%	0.471	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-38.8	179.5	-70	179.5	0	0	0	112.7	K52 A53 Y54 T59 E60	K52-L56 HydrophobicContact CG-CD1 4.02Å; K52-L56 HydrophobicContact CG-CG 4.28Å; K52-L56 WeakPolarHBondContact O-CG 3.33Å; K52-L56 PolarHBondContact O-N 3.07Å; A53-L56 PolarHBondContact O-N 2.88Å; Y54-L56 PolarHBondContact O-N 2.99Å; L56-T59 PolarHBondContact O-N 3.1Å; L56-E60 PolarHBondContact O-N 3.42Å
57	Q	98.8	Very high	98.7	Very high	142 Å²	142	79.7 Å²	79.7	66%	0.664	35%	0.354	S	S	*	.	H	α-helix	trans	-63.9	-40.9	175.4	-72.8	-178.2	46.3	0	0	111.8	A53 Y54 A55 E60 W61	A53-Q57 WeakPolarHBondContact O-CG 3.23Å; A53-Q57 PolarHBondContact O-N 2.95Å; A53-Q57 VanDerWaalsContact O-N 3.09Å; Y54-Q57 PolarHBondContact O-N 2.99Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-Q57 PolarHBondContact O-N 2.69Å; Q57-E60 PolarHBondContact O-N 3.48Å; Q57-W61 VanDerWaalsContact O-CB 3.26Å; Q57-W61 WeakPolarHBondContact O-CB 3.41Å; Q57-W61 PolarHBondContact O-N 3.35Å
58	L	98.8	Very high	98.6	Very high	26 Å²	26	79.3 Å²	79.3	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-44.3	174.4	-72.8	177.5	0	0	0	112.1	Y54 A55 W61 G62 A89 V92	Y54-L58 HydrophobicContact CD1-CD1 4.09Å; Y54-L58 HydrophobicContact CE1-CD1 3.55Å; Y54-L58 HydrophobicContact CE1-CG 4.36Å; Y54-L58 HydrophobicContact CE2-CD1 4.15Å; Y54-L58 HydrophobicContact CE2-CD2 4.28Å; Y54-L58 HydrophobicContact CE2-CG 4.11Å; Y54-L58 PolarHBondContact O-N 3.44Å; A55-L58 WeakPolarHBondContact O-CB 3.34Å; A55-L58 PolarHBondContact O-N 2.94Å; L58-W61 PolarHBondContact O-N 3.32Å; L58-G62 PolarHBondContact O-N 3.27Å; L58-A89 HydrophobicContact CB-CB 4.28Å; L58-A89 HydrophobicContact CD2-CB 4.09Å; L58-V92 HydrophobicContact CD1-CB 4.01Å; L58-V92 HydrophobicContact CD1-CG1 3.63Å
59	T	98.6	Very high	98.6	Very high	56 Å²	56	79.4 Å²	79.4	34%	0.344	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-46.5	177.8	-62.3	0	0	0	0	111.5	A55 L56 G62 K63 S93	A55-T59 PolarHBondContact O-N 3.07Å; A55-T59 PolarHBondContact O-OG1 3.16Å; L56-T59 PolarHBondContact O-N 3.1Å; T59-G62 PolarHBondContact O-N 3.32Å; T59-K63 WeakPolarHBondContact O-CB 3.47Å; T59-K63 PolarHBondContact O-N 3.38Å; T59-S93 WeakPolarHBondContact OG1-CB 3.49Å; T59-S93 PolarHBondContact OG1-OG 3.11Å
60	E	98.6	Very high	98.5	Very high	112 Å²	112	77.9 Å²	77.9	52%	0.523	36%	0.358	S	S	.	.	H	α-helix	trans	-67.4	-42.7	180	-173.1	54.4	-143.3	0	0	111.5	L56 Q57 G62 K63 R64	L56-E60 PolarHBondContact O-N 3.42Å; Q57-E60 PolarHBondContact O-N 3.48Å; E60-G62 PolarHBondContact O-N 3.44Å; E60-K63 PolarHBondContact O-N 2.87Å; E60-R64 VanDerWaalsContact O-CB 3.31Å; E60-R64 WeakPolarHBondContact O-CB 3.27Å; E60-R64 PolarHBondContact O-N 3.07Å
61	W	98.8	Very high	98.4	Very high	106 Å²	106	80.9 Å²	80.9	40%	0.402	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-48.4	174.5	175	90	0	0	0	111.9	Q57 L58 R64 W65 L85 A89	Q57-W61 VanDerWaalsContact O-CB 3.26Å; Q57-W61 WeakPolarHBondContact O-CB 3.41Å; Q57-W61 PolarHBondContact O-N 3.35Å; L58-W61 PolarHBondContact O-N 3.32Å; W61-R64 PolarHBondContact O-N 3.07Å; W61-W65 AromaticContact CD1-CD1 3.52Å; W61-W65 AromaticContact CD1-NE1 3.7Å; W61-W65 AromaticContact CE2-CD1 3.52Å; W61-W65 AromaticContact CE2-NE1 3.96Å; W61-W65 AromaticContact NE1-CD1 3.21Å; W61-W65 AromaticContact NE1-NE1 3.25Å; W61-W65 PolarHBondContact O-N 3.4Å; W61-L85 HydrophobicContact CH2-CB 4.25Å; W61-A89 HydrophobicContact CE3-CB 3.6Å; W61-A89 HydrophobicContact CZ3-CB 3.51Å
62	G	98.5	Very high	98.3	Very high	0 Å²	0	81 Å²	81	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-61.7	-46.1	-179.9	0	0	0	0	0	111.9	L58 T59 E60 R66	L58-G62 PolarHBondContact O-N 3.27Å; T59-G62 PolarHBondContact O-N 3.32Å; E60-G62 PolarHBondContact O-N 3.44Å; G62-R66 WeakPolarHBondContact O-CB 3.37Å; G62-R66 PolarHBondContact O-N 2.96Å
63	K	98.3	Very high	98.3	Very high	111 Å²	111	81.8 Å²	81.8	48%	0.483	39%	0.388	S	S	.	.	H	α-helix	trans	-60.5	-47.6	176.2	-177	-176.5	175.7	-169.6	0	112	T59 E60 Q67	T59-K63 WeakPolarHBondContact O-CB 3.47Å; T59-K63 PolarHBondContact O-N 3.38Å; E60-K63 PolarHBondContact O-N 2.87Å; K63-Q67 WeakPolarHBondContact O-CG 3.09Å; K63-Q67 PolarHBondContact O-N 3.44Å
64	R	98.5	Very high	98.2	Very high	160 Å²	160	82.4 Å²	82.4	60%	0.604	38%	0.383	S	S	*	.	H	α-helix	trans	-59.6	-51.1	179.3	175.8	178.6	174.9	155.7	0.8	111.6	E60 W61 Q67 L68	E60-R64 VanDerWaalsContact O-CB 3.31Å; E60-R64 WeakPolarHBondContact O-CB 3.27Å; E60-R64 PolarHBondContact O-N 3.07Å; W61-R64 PolarHBondContact O-N 3.07Å; R64-Q67 PolarHBondContact O-N 3.06Å; R64-L68 HydrophobicContact CG-CD1 4.23Å; R64-L68 WeakPolarHBondContact O-CG 3.38Å; R64-L68 PolarHBondContact O-N 3.45Å; R64-L68 VanDerWaalsContact O-N 3.16Å
65	W	98.6	Very high	98.1	Very high	94 Å²	94	83.1 Å²	83.1	36%	0.356	39%	0.386	S	S	.	.	H	α-helix	trans	-70.1	-36.4	-176.9	-84.8	100.5	0	0	0	112.8	W61 Q67 L68 I69 W82	W61-W65 AromaticContact CD1-CD1 3.52Å; W61-W65 AromaticContact CD1-NE1 3.7Å; W61-W65 AromaticContact CE2-CD1 3.52Å; W61-W65 AromaticContact CE2-NE1 3.96Å; W61-W65 AromaticContact NE1-CD1 3.21Å; W61-W65 AromaticContact NE1-NE1 3.25Å; W61-W65 PolarHBondContact O-N 3.4Å; W65-Q67 VanDerWaalsContact C-N 3.31Å; W65-Q67 PolarHBondContact O-N 3.17Å; W65-L68 HydrophobicContact CD2-CD1 4.42Å; W65-L68 HydrophobicContact CE3-CB 4.44Å; W65-L68 HydrophobicContact CE3-CD1 4.27Å; W65-L68 PolarHBondContact O-N 3.46Å; W65-L68 VanDerWaalsContact O-N 3.13Å; W65-I69 WeakPolarHBondContact O-CD1 3.47Å; W65-I69 VanDerWaalsContact O-CG1 3.23Å; W65-I69 WeakPolarHBondContact O-CG1 3.35Å; W65-I69 PolarHBondContact O-N 3.26Å; W65-W82 HydrophobicContact CE3-CZ2 4.18Å; W65-W82 AromaticContact CZ3-CZ2 3.84Å; W65-W82 HydrophobicContact CZ3-CZ2 3.84Å
66	R	98.3	Very high	98	Very high	59 Å²	59	84.6 Å²	84.6	22%	0.223	40%	0.401	C	S	.	.	H	α-helix	trans	-55.4	-47.5	173.4	-172.1	-177.9	-64.4	-89	3.5	111.2	G62 L68 I69 E70 C86 T87 E90	G62-R66 WeakPolarHBondContact O-CB 3.37Å; G62-R66 PolarHBondContact O-N 2.96Å; R66-L68 PolarHBondContact O-N 3.01Å; R66-I69 PolarHBondContact O-N 3.37Å; R66-E70 WeakPolarHBondContact CG-OE1 3.46Å; R66-E70 WeakPolarHBondContact O-CB 3.49Å; R66-E70 VanDerWaalsContact O-CG 3.32Å; R66-E70 WeakPolarHBondContact O-CG 3.47Å; R66-E70 PolarHBondContact O-N 3.18Å; R66-C86 HydrophobicContact CB-CB 4.28Å; R66-T87 PolarHBondContact NH2-OG1 2.92Å; R66-E90 IonicContact CZ-OE1 3.15Å; R66-E90 IonicContact CZ-OE2 3.69Å; R66-E90 IonicContact NE-OE1 2.79Å; R66-E90 PolarHBondContact NE-OE1 3.46Å; R66-E90 VanDerWaalsContact NE-OE1 3.08Å; R66-E90 IonicContact NH2-OE1 3.72Å; R66-E90 PolarHBondContact NH2-OE1 3.37Å; R66-E90 IonicContact NH2-OE2 2.74Å; R66-E90 PolarHBondContact NH2-OE2 2.88Å
67	Q	97.9	Very high	98	Very high	89 Å²	89	80.7 Å²	80.7	42%	0.416	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-37.8	176.5	-69	-178.5	6.9	0	0	113.5	K63 R64 W65 K71	K63-Q67 WeakPolarHBondContact O-CG 3.09Å; K63-Q67 PolarHBondContact O-N 3.44Å; R64-Q67 PolarHBondContact O-N 3.06Å; W65-Q67 VanDerWaalsContact C-N 3.31Å; W65-Q67 PolarHBondContact O-N 3.17Å; Q67-K71 WeakPolarHBondContact O-CB 3.27Å; Q67-K71 VanDerWaalsContact O-CG 3.32Å; Q67-K71 WeakPolarHBondContact O-CG 3.38Å; Q67-K71 PolarHBondContact O-N 2.83Å; Q67-K71 VanDerWaalsContact O-N 3.12Å
68	L	98.4	Very high	98	Very high	89 Å²	89	77.7 Å²	77.7	47%	0.466	37%	0.369	S	S	.	.	H	α-helix	trans	-69.2	-37	178	-71.3	173.2	0	0	0	112.2	R64 W65 R66 G72	R64-L68 HydrophobicContact CG-CD1 4.23Å; R64-L68 WeakPolarHBondContact O-CG 3.38Å; R64-L68 PolarHBondContact O-N 3.45Å; R64-L68 VanDerWaalsContact O-N 3.16Å; W65-L68 HydrophobicContact CD2-CD1 4.42Å; W65-L68 HydrophobicContact CE3-CB 4.44Å; W65-L68 HydrophobicContact CE3-CD1 4.27Å; W65-L68 PolarHBondContact O-N 3.46Å; W65-L68 VanDerWaalsContact O-N 3.13Å; R66-L68 PolarHBondContact O-N 3.01Å; L68-G72 WeakPolarHBondContact O-CA 3.44Å; L68-G72 PolarHBondContact O-N 3.01Å
69	I	98.1	Very high	98	Very high	3 Å²	3	78.6 Å²	78.6	2%	0.015	37%	0.373	C	S	.	.	H	α-helix	trans	-67	-52	176.4	-67.3	162.6	0	0	0	109.6	W65 R66 K71 G72 E79 W82	W65-I69 WeakPolarHBondContact O-CD1 3.47Å; W65-I69 VanDerWaalsContact O-CG1 3.23Å; W65-I69 WeakPolarHBondContact O-CG1 3.35Å; W65-I69 PolarHBondContact O-N 3.26Å; R66-I69 PolarHBondContact O-N 3.37Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 2.83Å; I69-G72 WeakPolarHBondContact O-CA 3.37Å; I69-G72 PolarHBondContact O-N 3.47Å; I69-E79 HydrophobicContact CG2-CG 3.68Å; I69-W82 HydrophobicContact CD1-CB 4.32Å; I69-W82 HydrophobicContact CD1-CD2 3.88Å; I69-W82 HydrophobicContact CD1-CG 3.67Å; I69-W82 HydrophobicContact CG1-CD2 3.84Å; I69-W82 HydrophobicContact CG1-CE3 4.2Å; I69-W82 HydrophobicContact CG1-CG 4.16Å; I69-W82 HydrophobicContact CG1-CZ2 4.3Å
70	E	96	Very high	97.9	Very high	118 Å²	118	82.9 Å²	82.9	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-61.9	-34.9	-178	-72.6	172.8	-178.8	0	0	113.1	R66 G72	R66-E70 WeakPolarHBondContact CG-OE1 3.46Å; R66-E70 WeakPolarHBondContact O-CB 3.49Å; R66-E70 VanDerWaalsContact O-CG 3.32Å; R66-E70 WeakPolarHBondContact O-CG 3.47Å; R66-E70 PolarHBondContact O-N 3.18Å; E70-G72 VanDerWaalsContact C-N 3.33Å
71	K	97.6	Very high	97.9	Very high	174 Å²	174	77.9 Å²	77.9	76%	0.757	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.8	174.9	-68.2	176.7	-179.2	174.9	0	113	Q67 I69	Q67-K71 WeakPolarHBondContact O-CB 3.27Å; Q67-K71 VanDerWaalsContact O-CG 3.32Å; Q67-K71 WeakPolarHBondContact O-CG 3.38Å; Q67-K71 PolarHBondContact O-N 2.83Å; Q67-K71 VanDerWaalsContact O-N 3.12Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 2.83Å
72	G	97.5	Very high	97.9	Very high	16 Å²	16	78.2 Å²	78.2	17%	0.165	36%	0.361	C	S	.	.	S	Bend	trans	-74.3	174.4	-177.4	0	0	0	0	0	112.6	L68 I69 E70 Q74 Y75	L68-G72 WeakPolarHBondContact O-CA 3.44Å; L68-G72 PolarHBondContact O-N 3.01Å; I69-G72 WeakPolarHBondContact O-CA 3.37Å; I69-G72 PolarHBondContact O-N 3.47Å; E70-G72 VanDerWaalsContact C-N 3.33Å; G72-Q74 PolarHBondContact O-N 3.23Å; G72-Y75 PolarHBondContact O-OH 3.43Å
73	P	97.6	Very high	97.9	Very high	119 Å²	119	79.1 Å²	79.1	77%	0.773	37%	0.369	S	S	*	.	S	Bend	trans	-84.1	4.5	177.1	35.8	-36.6	0	0	0	113.3	Y75	P73-Y75 VanDerWaalsContact C-CE2 3.49Å; P73-Y75 VanDerWaalsContact O-CD2 3.28Å; P73-Y75 WeakPolarHBondContact O-CD2 3.38Å; P73-Y75 WeakPolarHBondContact O-CE2 3.39Å
74	Q	97.9	Very high	97.9	Very high	57 Å²	57	74.3 Å²	74.3	27%	0.266	35%	0.35	S	S	.	.			trans	-88.1	132.5	179	-178.2	57.4	61	0	0	109.3	G72 E79 W82	G72-Q74 PolarHBondContact O-N 3.23Å; Q74-E79 HydrophobicContact CG-CB 4.07Å; Q74-W82 HydrophobicContact CG-CE3 4.33Å
75	Y	96.3	Very high	97.9	Very high	124 Å²	124	69.8 Å²	69.8	49%	0.486	34%	0.338	S	S	.	.			trans	-134.2	178.9	180	-54	-70.4	0	0	0	111.6	G72 P73 E79	G72-Y75 PolarHBondContact O-OH 3.43Å; P73-Y75 VanDerWaalsContact C-CE2 3.49Å; P73-Y75 VanDerWaalsContact O-CD2 3.28Å; P73-Y75 WeakPolarHBondContact O-CD2 3.38Å; P73-Y75 WeakPolarHBondContact O-CE2 3.39Å; Y75-E79 VanDerWaalsContact C-CB 3.43Å; Y75-E79 VanDerWaalsContact CA-OE2 3.28Å; Y75-E79 WeakPolarHBondContact CA-OE2 3.25Å; Y75-E79 PolarHBondContact O-N 3.12Å
76	G	97.3	Very high	97.9	Very high	31 Å²	31	65.4 Å²	65.4	32%	0.32	32%	0.321	S	S	.	.	H	α-helix	trans	80	-152	165	0	0	0	0	0	114.1	L78 E79 R80	G76-L78 VanDerWaalsContact C-N 3.35Å; G76-E79 PolarHBondContact O-N 3.26Å; G76-R80 PolarHBondContact O-N 3.09Å
77	T	98.3	Very high	97.9	Very high	9 Å²	9	65.2 Å²	65.2	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-67.9	-35.2	-178.5	65.8	0	0	0	0	112	R80 A81 D277 D281	T77-R80 PolarHBondContact O-N 3.08Å; T77-A81 PolarHBondContact O-N 3.39Å; T77-A81 VanDerWaalsContact O-N 3.07Å; T77-D277 HydrophobicContact CG2-CB 4.34Å; T77-D277 PolarHBondContact OG1-N 2.86Å; T77-D277 PolarHBondContact OG1-O 2.86Å; T77-D281 WeakPolarHBondContact CB-OD1 3.29Å; T77-D281 WeakPolarHBondContact CG2-OD1 3.21Å; T77-D281 PolarHBondContact N-OD1 2.94Å; T77-D281 PolarHBondContact N-OD2 2.89Å; T77-D281 VanDerWaalsContact N-OD2 3.14Å; T77-D281 VanDerWaalsContact OG1-CG 3.23Å; T77-D281 PolarHBondContact OG1-OD1 3.46Å; T77-D281 PolarHBondContact OG1-OD2 3.04Å; T77-D281 VanDerWaalsContact OG1-OD2 3.05Å
78	L	98.1	Very high	98	Very high	79 Å²	79	62.6 Å²	62.6	41%	0.414	31%	0.314	S	S	.	.	H	α-helix	trans	-68.1	-35.4	176.6	180	61	0	0	0	112.9	G76 R80 A81 W82 T276 D281	G76-L78 VanDerWaalsContact C-N 3.35Å; L78-R80 VanDerWaalsContact C-N 3.35Å; L78-A81 PolarHBondContact O-N 2.92Å; L78-W82 PolarHBondContact O-N 3.09Å; L78-T276 HydrophobicContact CB-CG2 4.01Å; L78-T276 HydrophobicContact CD1-CG2 4.16Å; L78-D281 PolarHBondContact N-OD2 3.05Å
79	E	98.3	Very high	98	Very high	44 Å²	44	58.4 Å²	58.4	21%	0.206	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-46	172.6	-175.1	-167.1	179.7	0	0	111	I69 Q74 Y75 G76 A81 W82 A83	I69-E79 HydrophobicContact CG2-CG 3.68Å; Q74-E79 HydrophobicContact CG-CB 4.07Å; Y75-E79 VanDerWaalsContact C-CB 3.43Å; Y75-E79 VanDerWaalsContact CA-OE2 3.28Å; Y75-E79 WeakPolarHBondContact CA-OE2 3.25Å; Y75-E79 PolarHBondContact O-N 3.12Å; G76-E79 PolarHBondContact O-N 3.26Å; E79-A81 VanDerWaalsContact C-N 3.35Å; E79-A81 PolarHBondContact O-N 2.76Å; E79-W82 PolarHBondContact O-N 2.59Å; E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.46Å
80	R	98.3	Very high	98	Very high	147 Å²	147	60.9 Å²	60.9	56%	0.555	30%	0.304	S	S	*	.	H	α-helix	trans	-61.5	-42	177.5	-70.1	-171.3	-71.2	132.9	-4.1	112.1	G76 T77 L78 A83 A84	G76-R80 PolarHBondContact O-N 3.09Å; T77-R80 PolarHBondContact O-N 3.08Å; L78-R80 VanDerWaalsContact C-N 3.35Å; R80-A83 PolarHBondContact O-N 3.42Å; R80-A84 PolarHBondContact O-N 3.06Å
81	A	98.4	Very high	98.1	Very high	7 Å²	7	60.1 Å²	60.1	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176.1	0	0	0	0	0	112.4	T77 L78 E79 A84 I273 T276	T77-A81 PolarHBondContact O-N 3.39Å; T77-A81 VanDerWaalsContact O-N 3.07Å; L78-A81 PolarHBondContact O-N 2.92Å; E79-A81 VanDerWaalsContact C-N 3.35Å; E79-A81 PolarHBondContact O-N 2.76Å; A81-A84 VanDerWaalsContact O-CB 3.27Å; A81-A84 WeakPolarHBondContact O-CB 3.17Å; A81-A84 PolarHBondContact O-N 2.71Å; A81-I273 HydrophobicContact CB-CG1 4.35Å; A81-T276 WeakPolarHBondContact CB-OG1 3.42Å
82	W	98.4	Very high	98.2	Very high	112 Å²	112	52 Å²	52	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-66.5	-45.8	175.4	-168.9	-2	0	0	0	111.5	W65 I69 Q74 L78 E79 A84 L85	W65-W82 HydrophobicContact CE3-CZ2 4.18Å; W65-W82 AromaticContact CZ3-CZ2 3.84Å; W65-W82 HydrophobicContact CZ3-CZ2 3.84Å; I69-W82 HydrophobicContact CD1-CB 4.32Å; I69-W82 HydrophobicContact CD1-CD2 3.88Å; I69-W82 HydrophobicContact CD1-CG 3.67Å; I69-W82 HydrophobicContact CG1-CD2 3.84Å; I69-W82 HydrophobicContact CG1-CE3 4.2Å; I69-W82 HydrophobicContact CG1-CG 4.16Å; I69-W82 HydrophobicContact CG1-CZ2 4.3Å; Q74-W82 HydrophobicContact CG-CE3 4.33Å; L78-W82 PolarHBondContact O-N 3.09Å; E79-W82 PolarHBondContact O-N 2.59Å; W82-A84 PolarHBondContact O-N 2.99Å; W82-A84 VanDerWaalsContact O-N 3.16Å; W82-L85 WeakPolarHBondContact O-CB 3.15Å; W82-L85 PolarHBondContact O-N 3.29Å; W82-L85 VanDerWaalsContact O-N 3.09Å
83	A	98.4	Very high	98.2	Very high	20 Å²	20	51.2 Å²	51.2	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-19.2	176.9	0	0	0	0	0	113.6	E79 R80 L85 C86 T87	E79-A83 WeakPolarHBondContact O-CB 3.4Å; E79-A83 PolarHBondContact O-N 3.46Å; R80-A83 PolarHBondContact O-N 3.42Å; A83-L85 VanDerWaalsContact C-N 3.25Å; A83-L85 PolarHBondContact O-N 3.3Å; A83-C86 WeakPolarHBondContact O-CB 3.3Å; A83-C86 PolarHBondContact O-N 2.74Å; A83-T87 PolarHBondContact O-N 2.99Å; A83-T87 PolarHBondContact O-OG1 3.05Å
84	A	98.5	Very high	98.3	Very high	9 Å²	9	49 Å²	49	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-30.8	173.7	0	0	0	0	0	112.3	R80 A81 W82 C86 T87 E88 L269 T272	R80-A84 PolarHBondContact O-N 3.06Å; A81-A84 VanDerWaalsContact O-CB 3.27Å; A81-A84 WeakPolarHBondContact O-CB 3.17Å; A81-A84 PolarHBondContact O-N 2.71Å; W82-A84 PolarHBondContact O-N 2.99Å; W82-A84 VanDerWaalsContact O-N 3.16Å; A84-C86 VanDerWaalsContact C-N 3.34Å; A84-C86 PolarHBondContact O-N 3.47Å; A84-T87 WeakPolarHBondContact O-CB 3.38Å; A84-T87 PolarHBondContact O-N 3.32Å; A84-E88 PolarHBondContact O-N 3.45Å; A84-L269 HydrophobicContact CB-CD1 3.64Å; A84-T272 HydrophobicContact CB-CG2 3.68Å
85	L	98.4	Very high	98.3	Very high	66 Å²	66	46.7 Å²	46.7	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-63	-39.9	173.9	-66.2	172.5	0	0	0	111.9	W61 W82 A83 T87 E88 A89 L269	W61-L85 HydrophobicContact CH2-CB 4.25Å; W82-L85 WeakPolarHBondContact O-CB 3.15Å; W82-L85 PolarHBondContact O-N 3.29Å; W82-L85 VanDerWaalsContact O-N 3.09Å; A83-L85 VanDerWaalsContact C-N 3.25Å; A83-L85 PolarHBondContact O-N 3.3Å; L85-T87 VanDerWaalsContact C-N 3.28Å; L85-T87 PolarHBondContact O-N 2.87Å; L85-E88 PolarHBondContact O-N 2.95Å; L85-A89 PolarHBondContact O-N 3.29Å; L85-A89 VanDerWaalsContact O-N 3.13Å; L85-L269 HydrophobicContact CD2-CD1 4Å; L85-L269 HydrophobicContact CD2-CD2 4.02Å; L85-L269 HydrophobicContact CG-CD1 4.46Å
86	C	98.6	Very high	98.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-37.8	175	-55.4	0	0	0	0	111.4	R66 A83 A84 A89 E90	R66-C86 HydrophobicContact CB-CB 4.28Å; A83-C86 WeakPolarHBondContact O-CB 3.3Å; A83-C86 PolarHBondContact O-N 2.74Å; A84-C86 VanDerWaalsContact C-N 3.34Å; A84-C86 PolarHBondContact O-N 3.47Å; C86-A89 PolarHBondContact O-N 3.16Å; C86-E90 WeakPolarHBondContact O-CG 3.32Å; C86-E90 PolarHBondContact O-N 3.47Å; C86-E90 VanDerWaalsContact O-N 3.08Å
87	T	98.4	Very high	98.5	Very high	55 Å²	55	43.5 Å²	43.5	34%	0.337	21%	0.21	S	C	.	.	H	α-helix	trans	-68.9	-36.8	178.1	-52.8	0	0	0	0	111.5	R66 A83 A84 L85 K91	R66-T87 PolarHBondContact NH2-OG1 2.92Å; A83-T87 PolarHBondContact O-N 2.99Å; A83-T87 PolarHBondContact O-OG1 3.05Å; A84-T87 WeakPolarHBondContact O-CB 3.38Å; A84-T87 PolarHBondContact O-N 3.32Å; L85-T87 VanDerWaalsContact C-N 3.28Å; L85-T87 PolarHBondContact O-N 2.87Å; T87-K91 VanDerWaalsContact O-CG 3.26Å; T87-K91 WeakPolarHBondContact O-CG 3.44Å; T87-K91 PolarHBondContact O-N 2.82Å; T87-K91 VanDerWaalsContact O-N 3.08Å
88	E	98.6	Very high	98.5	Very high	35 Å²	35	47.3 Å²	47.3	16%	0.164	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-51.1	171.8	178.8	-88.1	171.5	0	0	111.3	A84 L85 E90 K91 V92 V265 Y266 L269	A84-E88 PolarHBondContact O-N 3.45Å; L85-E88 PolarHBondContact O-N 2.95Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 2.85Å; E88-K91 PolarHBondContact O-N 2.89Å; E88-V92 HydrophobicContact CG-CG2 4.41Å; E88-V92 WeakPolarHBondContact O-CG2 3.43Å; E88-V92 PolarHBondContact O-N 3.12Å; E88-V92 WeakPolarHBondContact OE1-CG2 3.4Å; E88-V265 HydrophobicContact CB-CG1 4.19Å; E88-V265 HydrophobicContact CG-CG1 3.54Å; E88-Y266 HydrophobicContact CG-CD1 4.41Å; E88-Y266 HydrophobicContact CG-CE1 3.96Å; E88-Y266 WeakPolarHBondContact OE1-CE1 3.43Å; E88-Y266 VanDerWaalsContact OE1-CZ 3.22Å; E88-Y266 PolarHBondContact OE1-OH 3.34Å; E88-L269 HydrophobicContact CB-CD2 4.13Å; E88-L269 HydrophobicContact CG-CD2 4.06Å
89	A	98.7	Very high	98.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-40.2	-179.3	0	0	0	0	0	112.6	L58 W61 L85 C86 V92 S93	L58-A89 HydrophobicContact CB-CB 4.28Å; L58-A89 HydrophobicContact CD2-CB 4.09Å; W61-A89 HydrophobicContact CE3-CB 3.6Å; W61-A89 HydrophobicContact CZ3-CB 3.51Å; L85-A89 PolarHBondContact O-N 3.29Å; L85-A89 VanDerWaalsContact O-N 3.13Å; C86-A89 PolarHBondContact O-N 3.16Å; A89-V92 PolarHBondContact O-N 2.75Å; A89-S93 VanDerWaalsContact O-CB 3.28Å; A89-S93 WeakPolarHBondContact O-CB 3.35Å; A89-S93 PolarHBondContact O-N 3.32Å
90	E	98.3	Very high	98.6	Very high	55 Å²	55	45.1 Å²	45.1	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-60.8	-42.8	173.4	-73.1	163.7	-165.3	0	0	111.6	R66 C86 E88 S93 D94	R66-E90 IonicContact CZ-OE1 3.15Å; R66-E90 IonicContact CZ-OE2 3.69Å; R66-E90 IonicContact NE-OE1 2.79Å; R66-E90 PolarHBondContact NE-OE1 3.46Å; R66-E90 VanDerWaalsContact NE-OE1 3.08Å; R66-E90 IonicContact NH2-OE1 3.72Å; R66-E90 PolarHBondContact NH2-OE1 3.37Å; R66-E90 IonicContact NH2-OE2 2.74Å; R66-E90 PolarHBondContact NH2-OE2 2.88Å; C86-E90 WeakPolarHBondContact O-CG 3.32Å; C86-E90 PolarHBondContact O-N 3.47Å; C86-E90 VanDerWaalsContact O-N 3.08Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 2.85Å; E90-S93 WeakPolarHBondContact O-CB 3.35Å; E90-S93 PolarHBondContact O-N 3.38Å; E90-D94 PolarHBondContact O-N 3.36Å
91	K	98.5	Very high	98.6	Very high	102 Å²	102	40.2 Å²	40.2	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-70.9	-37.6	178.9	-66.6	-69.4	164.3	-150.2	0	113.3	T87 E88 S93 D94 L95 V265	T87-K91 VanDerWaalsContact O-CG 3.26Å; T87-K91 WeakPolarHBondContact O-CG 3.44Å; T87-K91 PolarHBondContact O-N 2.82Å; T87-K91 VanDerWaalsContact O-N 3.08Å; E88-K91 PolarHBondContact O-N 2.89Å; K91-S93 VanDerWaalsContact C-N 3.34Å; K91-D94 IonicContact NZ-OD2 3.08Å; K91-D94 PolarHBondContact O-N 3.13Å; K91-L95 WeakPolarHBondContact O-CG 3.45Å; K91-L95 PolarHBondContact O-N 3.02Å; K91-V265 HydrophobicContact CB-CG1 4.23Å; K91-V265 HydrophobicContact CB-CG2 3.57Å; K91-V265 HydrophobicContact CG-CG2 4.35Å
92	V	98.8	Very high	98.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-41.5	172.7	173.8	0	0	0	0	110	Y54 L58 E88 A89 D94 L95 H96 F262 V265	Y54-V92 HydrophobicContact CE1-CG1 4.14Å; L58-V92 HydrophobicContact CD1-CB 4.01Å; L58-V92 HydrophobicContact CD1-CG1 3.63Å; E88-V92 HydrophobicContact CG-CG2 4.41Å; E88-V92 WeakPolarHBondContact O-CG2 3.43Å; E88-V92 PolarHBondContact O-N 3.12Å; E88-V92 WeakPolarHBondContact OE1-CG2 3.4Å; A89-V92 PolarHBondContact O-N 2.75Å; V92-D94 PolarHBondContact O-N 2.98Å; V92-L95 PolarHBondContact O-N 3.35Å; V92-H96 PolarHBondContact O-CD2 3.07Å; V92-H96 VanDerWaalsContact O-CD2 3.27Å; V92-H96 PolarHBondContact O-N 3.08Å; V92-F262 HydrophobicContact CG2-CE2 4.43Å; V92-V265 HydrophobicContact CG2-CG1 4.21Å
93	S	98.8	Very high	98.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.2	-49.6	173.3	176.7	0	0	0	0	112.1	A55 T59 A89 E90 K91 L95 H96 L97	A55-S93 VanDerWaalsContact C-OG 3.26Å; A55-S93 WeakPolarHBondContact CA-OG 3.43Å; A55-S93 WeakPolarHBondContact CB-O 3.4Å; A55-S93 WeakPolarHBondContact CB-OG 3.37Å; A55-S93 WeakPolarHBondContact O-CB 3.37Å; A55-S93 PolarHBondContact O-OG 3.42Å; T59-S93 WeakPolarHBondContact OG1-CB 3.49Å; T59-S93 PolarHBondContact OG1-OG 3.11Å; A89-S93 VanDerWaalsContact O-CB 3.28Å; A89-S93 WeakPolarHBondContact O-CB 3.35Å; A89-S93 PolarHBondContact O-N 3.32Å; E90-S93 WeakPolarHBondContact O-CB 3.35Å; E90-S93 PolarHBondContact O-N 3.38Å; K91-S93 VanDerWaalsContact C-N 3.34Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 3.19Å; S93-H96 PolarHBondContact O-N 3.18Å; S93-H96 VanDerWaalsContact O-N 3.16Å; S93-L97 WeakPolarHBondContact O-CG 3.4Å; S93-L97 PolarHBondContact O-N 3.21Å
94	D	98.6	Very high	98.6	Very high	73 Å²	73	35.9 Å²	35.9	39%	0.39	19%	0.187	S	C	.	.	H	α-helix	trans	-54.5	-46.4	176.9	-70.2	-23.6	0	0	0	111.4	E90 K91 V92 H96 L97 E98	E90-D94 PolarHBondContact O-N 3.36Å; K91-D94 IonicContact NZ-OD2 3.08Å; K91-D94 PolarHBondContact O-N 3.13Å; V92-D94 PolarHBondContact O-N 2.98Å; D94-H96 PolarHBondContact O-N 3.36Å; D94-L97 PolarHBondContact O-N 2.86Å; D94-E98 WeakPolarHBondContact O-CG 3.46Å; D94-E98 PolarHBondContact O-N 3.13Å
95	L	98.6	Very high	98.6	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-43.4	178.5	-69.1	170.8	0	0	0	112.2	K91 V92 S93 L97 E98 V99 L256 R261 F262	K91-L95 WeakPolarHBondContact O-CG 3.45Å; K91-L95 PolarHBondContact O-N 3.02Å; V92-L95 PolarHBondContact O-N 3.35Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 3.19Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 2.99Å; L95-E98 WeakPolarHBondContact O-CB 3.17Å; L95-E98 PolarHBondContact O-N 3.09Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 2.86Å; L95-L256 HydrophobicContact CB-CD2 4.36Å; L95-R261 HydrophobicContact CD2-CB 4.18Å; L95-F262 HydrophobicContact CD1-CB 4.04Å; L95-F262 HydrophobicContact CD1-CD2 3.83Å; L95-F262 HydrophobicContact CD1-CG 4.45Å
96	H	98.8	Very high	98.6	Very high	28 Å²	28	41.1 Å²	41.1	13%	0.13	22%	0.217	C	C	.	.	H	α-helix	trans	-68.5	-31.2	177.5	-81.9	-91.7	0	0	0	112.7	E51 Y54 A55 V92 S93 D94 E98 V99 K100	E51-H96 IonicContact OE2-CE1 2.81Å; E51-H96 PolarHBondContact OE2-CE1 3.45Å; E51-H96 IonicContact OE2-CG 3.83Å; E51-H96 IonicContact OE2-ND1 3.92Å; E51-H96 PolarHBondContact OE2-ND1 2.94Å; Y54-H96 AromaticContact CD1-CD2 3.84Å; Y54-H96 AromaticContact CD1-CE1 3.75Å; Y54-H96 AromaticContact CD1-CG 3.8Å; Y54-H96 AromaticContact CD1-ND1 3.74Å; Y54-H96 AromaticContact CD1-NE2 3.82Å; Y54-H96 AromaticContact CE1-CD2 3.73Å; Y54-H96 AromaticContact CE1-CE1 3.84Å; Y54-H96 AromaticContact CE1-NE2 3.51Å; A55-H96 HydrophobicContact CB-CB 3.99Å; V92-H96 PolarHBondContact O-CD2 3.07Å; V92-H96 VanDerWaalsContact O-CD2 3.27Å; V92-H96 PolarHBondContact O-N 3.08Å; S93-H96 PolarHBondContact O-N 3.18Å; S93-H96 VanDerWaalsContact O-N 3.16Å; D94-H96 PolarHBondContact O-N 3.36Å; H96-E98 VanDerWaalsContact C-N 3.33Å; H96-V99 PolarHBondContact O-N 2.73Å; H96-K100 PolarHBondContact O-N 3.38Å
97	L	98.8	Very high	98.7	Very high	61 Å²	61	41.1 Å²	41.1	32%	0.319	22%	0.217	S	C	.	.	H	α-helix	trans	-66.8	-35.1	170.8	-70.7	176.9	0	0	0	112.2	K52 A55 S93 D94 L95 K100 A101	K52-L97 HydrophobicContact CG-CD2 4.28Å; A55-L97 HydrophobicContact CB-CD2 3.86Å; A55-L97 HydrophobicContact CB-CG 3.76Å; S93-L97 WeakPolarHBondContact O-CG 3.4Å; S93-L97 PolarHBondContact O-N 3.21Å; D94-L97 PolarHBondContact O-N 2.86Å; L95-L97 VanDerWaalsContact C-N 3.34Å; L95-L97 PolarHBondContact O-N 2.99Å; L97-K100 PolarHBondContact O-N 2.96Å; L97-A101 WeakPolarHBondContact O-CB 3.43Å; L97-A101 PolarHBondContact O-N 2.9Å
98	E	98.6	Very high	98.7	Very high	88 Å²	88	40.6 Å²	40.6	41%	0.411	21%	0.209	S	C	.	.	H	α-helix	trans	-66.9	-41.8	172.4	-69.8	179.9	-167	0	0	112	D94 L95 H96 K100 A101 A102 R261	D94-E98 WeakPolarHBondContact O-CG 3.46Å; D94-E98 PolarHBondContact O-N 3.13Å; L95-E98 WeakPolarHBondContact O-CB 3.17Å; L95-E98 PolarHBondContact O-N 3.09Å; H96-E98 VanDerWaalsContact C-N 3.33Å; E98-K100 VanDerWaalsContact C-N 3.34Å; E98-K100 PolarHBondContact O-N 3.48Å; E98-A101 WeakPolarHBondContact O-CB 3.22Å; E98-A101 PolarHBondContact O-N 3.14Å; E98-A101 VanDerWaalsContact O-N 3.08Å; E98-A102 PolarHBondContact O-N 3.15Å; E98-R261 IonicContact OE1-CZ 3.43Å; E98-R261 IonicContact OE1-NH1 2.71Å; E98-R261 PolarHBondContact OE1-NH1 3.19Å; E98-R261 IonicContact OE2-CZ 2.67Å; E98-R261 IonicContact OE2-NH1 3.6Å; E98-R261 PolarHBondContact OE2-NH1 3.27Å; E98-R261 IonicContact OE2-NH2 3.93Å; E98-R261 PolarHBondContact OE2-NH2 2.73Å
99	V	98.8	Very high	98.7	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-56.6	-50.5	172.4	175.7	0	0	0	0	110.1	E51 L95 H96 A101 A102 L103 H253 L254 L256	E51-V99 HydrophobicContact CG-CG1 4.03Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 2.86Å; H96-V99 PolarHBondContact O-N 2.73Å; V99-A101 PolarHBondContact O-N 2.87Å; V99-A102 PolarHBondContact O-N 2.78Å; V99-L103 HydrophobicContact CG1-CD1 4.1Å; V99-L103 HydrophobicContact CG1-CG 4.36Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.37Å; V99-L103 PolarHBondContact O-N 3.1Å; V99-H253 WeakPolarHBondContact CG2-O 3.25Å; V99-L254 HydrophobicContact CG1-CD2 3.7Å; V99-L256 HydrophobicContact CG2-CD2 3.76Å; V99-L256 HydrophobicContact CG2-CG 4.27Å
100	K	98.8	Very high	98.7	Very high	71 Å²	71	44.8 Å²	44.8	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-56.8	-40.1	175.4	176.6	-93.7	166.2	-167.1	0	112	A48 E51 K52 H96 L97 E98 M104	A48-K100 HydrophobicContact CB-CG 4.08Å; A48-K100 WeakPolarHBondContact O-CG 3.46Å; E51-K100 HydrophobicContact CB-CB 4.07Å; K52-K100 HydrophobicContact CB-CG 4.17Å; H96-K100 PolarHBondContact O-N 3.38Å; L97-K100 PolarHBondContact O-N 2.96Å; E98-K100 VanDerWaalsContact C-N 3.34Å; E98-K100 PolarHBondContact O-N 3.48Å; K100-M104 WeakPolarHBondContact O-CG 3.34Å; K100-M104 PolarHBondContact O-N 3.37Å
101	A	98.8	Very high	98.7	Very high	43 Å²	43	42.1 Å²	42.1	36%	0.355	22%	0.215	S	C	.	.	H	α-helix	trans	-64.3	-52.7	179.3	0	0	0	0	0	110.2	L97 E98 V99 L103 M104 S105	L97-A101 WeakPolarHBondContact O-CB 3.43Å; L97-A101 PolarHBondContact O-N 2.9Å; E98-A101 WeakPolarHBondContact O-CB 3.22Å; E98-A101 PolarHBondContact O-N 3.14Å; E98-A101 VanDerWaalsContact O-N 3.08Å; V99-A101 PolarHBondContact O-N 2.87Å; A101-L103 PolarHBondContact O-N 3.08Å; A101-M104 PolarHBondContact O-N 3.03Å; A101-S105 PolarHBondContact O-N 2.99Å; A101-S105 PolarHBondContact O-OG 2.88Å
102	A	98.7	Very high	98.7	Very high	14 Å²	14	41.1 Å²	41.1	12%	0.116	21%	0.211	C	C	.	.	H	α-helix	trans	-56.7	-47	178.8	0	0	0	0	0	112.3	E98 V99 M104 E106 D107 H253	E98-A102 PolarHBondContact O-N 3.15Å; V99-A102 PolarHBondContact O-N 2.78Å; A102-M104 PolarHBondContact O-N 3.48Å; A102-E106 WeakPolarHBondContact O-CA 3.46Å; A102-E106 VanDerWaalsContact O-CB 3.27Å; A102-E106 WeakPolarHBondContact O-CB 3.33Å; A102-E106 PolarHBondContact O-N 2.86Å; A102-D107 PolarHBondContact O-N 2.97Å; A102-H253 HydrophobicContact CB-CB 4.01Å
103	L	98.8	Very high	98.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.231	C	C	.	.	I	π-helix	trans	-55.8	-37	176.4	-70.3	176.2	0	0	0	112.6	I44 R47 A48 E51 V99 A101 Y108 V250 L254	I44-L103 HydrophobicContact CG2-CB 4.06Å; I44-L103 HydrophobicContact CG2-CD2 4.35Å; I44-L103 WeakPolarHBondContact CG2-O 3.47Å; R47-L103 HydrophobicContact CG-CD1 4.06Å; A48-L103 HydrophobicContact CB-CB 4.07Å; A48-L103 HydrophobicContact CB-CD1 4Å; E51-L103 HydrophobicContact CG-CD1 4.36Å; V99-L103 HydrophobicContact CG1-CD1 4.1Å; V99-L103 HydrophobicContact CG1-CG 4.36Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.37Å; V99-L103 PolarHBondContact O-N 3.1Å; A101-L103 PolarHBondContact O-N 3.08Å; L103-Y108 VanDerWaalsContact O-CB 3.27Å; L103-Y108 WeakPolarHBondContact O-CB 3.32Å; L103-Y108 PolarHBondContact O-N 3.27Å; L103-V250 HydrophobicContact CD2-CG1 3.95Å; L103-L254 HydrophobicContact CD1-CD2 3.91Å; L103-L254 HydrophobicContact CD2-CD2 4.12Å; L103-L254 HydrophobicContact CD2-CG 4.35Å; L103-L254 HydrophobicContact CG-CD2 4.41Å
104	M	98.8	Very high	98.7	Very high	34 Å²	34	47 Å²	47	17%	0.167	24%	0.239	C	C	.	.	I	π-helix	trans	-92.7	-42.3	-174.4	-67.3	-55.6	-54.7	0	0	114	H45 A48 K100 A101 A102 Y108	H45-M104 HydrophobicContact CB-CE 4.48Å; H45-M104 HydrophobicContact CB-SD 4.26Å; A48-M104 HydrophobicContact CB-CG 3.75Å; A48-M104 HydrophobicContact CB-SD 3.7Å; K100-M104 WeakPolarHBondContact O-CG 3.34Å; K100-M104 PolarHBondContact O-N 3.37Å; A101-M104 PolarHBondContact O-N 3.03Å; A102-M104 PolarHBondContact O-N 3.48Å; M104-Y108 HydrophobicContact CE-CD1 4.14Å; M104-Y108 HydrophobicContact CE-CD2 3.95Å; M104-Y108 HydrophobicContact CE-CE1 4.5Å; M104-Y108 HydrophobicContact CE-CE2 4.3Å; M104-Y108 HydrophobicContact CE-CG 3.87Å; M104-Y108 WeakPolarHBondContact O-CB 3.34Å; M104-Y108 HydrophobicContact SD-CD2 4.44Å; M104-Y108 HydrophobicContact SD-CG 4.48Å
105	S	98.5	Very high	98.7	Very high	78 Å²	78	44.7 Å²	44.7	55%	0.545	23%	0.226	S	C	.	.	I	π-helix	trans	-85.9	-22.3	-176.8	58	0	0	0	0	113.2	A101	A101-S105 PolarHBondContact O-N 2.99Å; A101-S105 PolarHBondContact O-OG 2.88Å
106	E	98.5	Very high	98.7	Very high	107 Å²	107	51.4 Å²	51.4	50%	0.5	25%	0.254	S	S	.	.	I	π-helix	trans	-108.8	-69.8	-179.5	-54.9	-177.8	-135.2	0	0	110	A102 K110 H253	A102-E106 WeakPolarHBondContact O-CA 3.46Å; A102-E106 VanDerWaalsContact O-CB 3.27Å; A102-E106 WeakPolarHBondContact O-CB 3.33Å; A102-E106 PolarHBondContact O-N 2.86Å; E106-K110 WeakPolarHBondContact O-CB 3.37Å; E106-K110 PolarHBondContact O-N 3.03Å; E106-H253 IonicContact OE2-CE1 3.38Å; E106-H253 IonicContact OE2-NE2 2.79Å
107	D	98.8	Very high	98.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.277	C	S	.	.	I	π-helix	trans	-65.8	-50.1	-170.1	-57.5	-40.3	0	0	0	112.5	I44 A102 K110 L111 L246 V250 H253	I44-D107 HydrophobicContact CD1-CB 4.43Å; A102-D107 PolarHBondContact O-N 2.97Å; D107-K110 PolarHBondContact O-N 3.42Å; D107-L111 WeakPolarHBondContact O-CB 3.49Å; D107-L111 PolarHBondContact O-N 2.91Å; D107-L246 HydrophobicContact CB-CD1 4.02Å; D107-V250 HydrophobicContact CB-CG2 3.75Å; D107-V250 WeakPolarHBondContact OD2-CG2 3.47Å; D107-H253 VanDerWaalsContact CG-ND1 3.29Å; D107-H253 IonicContact OD1-CE1 3.19Å; D107-H253 PolarHBondContact OD1-CE1 3.08Å; D107-H253 VanDerWaalsContact OD1-CE1 3.27Å; D107-H253 IonicContact OD1-ND1 2.8Å; D107-H253 PolarHBondContact OD1-ND1 2.89Å; D107-H253 VanDerWaalsContact OD1-ND1 3.13Å; D107-H253 IonicContact OD2-CE1 2.78Å; D107-H253 IonicContact OD2-CG 3.63Å; D107-H253 IonicContact OD2-ND1 3.74Å; D107-H253 PolarHBondContact OD2-ND1 3.2Å
108	Y	98.8	Very high	98.6	Very high	44 Å²	44	53.5 Å²	53.5	17%	0.173	27%	0.269	C	S	.	.	I	π-helix	trans	-62.2	-48	178.9	178.9	-81.3	0	0	0	111.9	M41 H45 L103 M104 L111 K112	M41-Y108 HydrophobicContact CB-CD2 3.97Å; M41-Y108 HydrophobicContact CB-CE2 3.64Å; M41-Y108 HydrophobicContact CG-CD2 4.15Å; M41-Y108 HydrophobicContact CG-CE2 4.04Å; M41-Y108 HydrophobicContact SD-CE2 4.26Å; H45-Y108 HydrophobicContact CB-CD2 4.4Å; H45-Y108 HydrophobicContact CB-CE2 4.28Å; L103-Y108 VanDerWaalsContact O-CB 3.27Å; L103-Y108 WeakPolarHBondContact O-CB 3.32Å; L103-Y108 PolarHBondContact O-N 3.27Å; M104-Y108 HydrophobicContact CE-CD1 4.14Å; M104-Y108 HydrophobicContact CE-CD2 3.95Å; M104-Y108 HydrophobicContact CE-CE1 4.5Å; M104-Y108 HydrophobicContact CE-CE2 4.3Å; M104-Y108 HydrophobicContact CE-CG 3.87Å; M104-Y108 WeakPolarHBondContact O-CB 3.34Å; M104-Y108 HydrophobicContact SD-CD2 4.44Å; M104-Y108 HydrophobicContact SD-CG 4.48Å; Y108-L111 PolarHBondContact O-N 3.45Å; Y108-K112 HydrophobicContact CD1-CD 4.42Å; Y108-K112 HydrophobicContact CE1-CD 3.75Å; Y108-K112 VanDerWaalsContact O-CB 3.28Å; Y108-K112 WeakPolarHBondContact O-CB 3.45Å; Y108-K112 PolarHBondContact O-N 3.43Å
109	E	98.6	Very high	98.5	Very high	61 Å²	61	49.8 Å²	49.8	29%	0.285	25%	0.251	S	S	.	.	H	α-helix	trans	-68.9	-34	179.2	-72.9	-60.8	142.7	0	0	112	K112 N113	E109-K112 PolarHBondContact O-N 2.92Å; E109-K112 IonicContact OE1-NZ 2.9Å; E109-K112 PolarHBondContact OE1-NZ 3.07Å; E109-K112 IonicContact OE2-NZ 2.86Å; E109-K112 PolarHBondContact OE2-NZ 3.41Å; E109-N113 VanDerWaalsContact O-CB 3.29Å; E109-N113 WeakPolarHBondContact O-CB 3.49Å; E109-N113 PolarHBondContact O-N 2.8Å; E109-N113 PolarHBondContact O-ND2 2.89Å
110	K	98.8	Very high	98.5	Very high	62 Å²	62	53.7 Å²	53.7	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-47	172.7	-173.7	177.3	-178.7	-175.6	0	110.9	E106 D107 W114 F242 E245 L246 E249	E106-K110 WeakPolarHBondContact O-CB 3.37Å; E106-K110 PolarHBondContact O-N 3.03Å; D107-K110 PolarHBondContact O-N 3.42Å; K110-W114 WeakPolarHBondContact O-CB 3.48Å; K110-W114 PolarHBondContact O-N 3.27Å; K110-F242 HydrophobicContact CD-CE2 4.48Å; K110-F242 HydrophobicContact CG-CE2 4.1Å; K110-F242 HydrophobicContact CG-CZ 4.18Å; K110-E245 IonicContact NZ-OE1 3.03Å; K110-E245 PolarHBondContact NZ-OE1 3.04Å; K110-L246 HydrophobicContact CB-CD1 4.43Å; K110-L246 HydrophobicContact CD-CD1 4.25Å; K110-E249 WeakPolarHBondContact CD-OE2 3.49Å; K110-E249 IonicContact NZ-OE1 2.68Å; K110-E249 PolarHBondContact NZ-OE1 3.39Å; K110-E249 IonicContact NZ-OE2 3.15Å; K110-E249 PolarHBondContact NZ-OE2 3.01Å
111	L	98.8	Very high	98.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-45.3	175.9	177.9	54.4	0	0	0	112.4	C37 L40 M41 I44 D107 Y108 W114 Q115 F242 F243 L246	C37-L111 HydrophobicContact CB-CD1 3.95Å; L40-L111 HydrophobicContact CB-CD2 3.82Å; L40-L111 HydrophobicContact CD2-CD2 3.88Å; L40-L111 HydrophobicContact CG-CD2 3.68Å; M41-L111 HydrophobicContact CB-CD2 4.2Å; M41-L111 HydrophobicContact CG-CB 4.17Å; M41-L111 HydrophobicContact CG-CD2 3.38Å; M41-L111 HydrophobicContact CG-CG 3.57Å; M41-L111 HydrophobicContact SD-CG 4.41Å; I44-L111 HydrophobicContact CD1-CD2 4.37Å; D107-L111 WeakPolarHBondContact O-CB 3.49Å; D107-L111 PolarHBondContact O-N 2.91Å; Y108-L111 PolarHBondContact O-N 3.45Å; L111-W114 PolarHBondContact O-N 3.33Å; L111-Q115 WeakPolarHBondContact O-CB 3.49Å; L111-Q115 PolarHBondContact O-N 2.99Å; L111-F242 HydrophobicContact CD1-CE1 3.68Å; L111-F243 HydrophobicContact CD1-CE1 4.13Å; L111-L246 HydrophobicContact CB-CD2 3.77Å; L111-L246 HydrophobicContact CD1-CD2 4.14Å; L111-L246 HydrophobicContact CD2-CD2 3.93Å; L111-L246 HydrophobicContact CG-CD2 4.17Å
112	K	98.7	Very high	98.1	Very high	80 Å²	80	59.6 Å²	59.6	35%	0.348	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-44.1	178.7	-179.5	169.7	154	-132.2	0	112.4	M41 Y108 E109 Q115 K116	M41-K112 HydrophobicContact SD-CB 3.65Å; M41-K112 HydrophobicContact SD-CG 4.21Å; Y108-K112 HydrophobicContact CD1-CD 4.42Å; Y108-K112 HydrophobicContact CE1-CD 3.75Å; Y108-K112 VanDerWaalsContact O-CB 3.28Å; Y108-K112 WeakPolarHBondContact O-CB 3.45Å; Y108-K112 PolarHBondContact O-N 3.43Å; E109-K112 PolarHBondContact O-N 2.92Å; E109-K112 IonicContact OE1-NZ 2.9Å; E109-K112 PolarHBondContact OE1-NZ 3.07Å; E109-K112 IonicContact OE2-NZ 2.86Å; E109-K112 PolarHBondContact OE2-NZ 3.41Å; K112-Q115 PolarHBondContact O-N 2.94Å; K112-K116 WeakPolarHBondContact O-CB 3.3Å; K112-K116 PolarHBondContact O-N 2.61Å
113	N	98.6	Very high	97.6	Very high	80 Å²	80	68.5 Å²	68.5	43%	0.428	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-44.9	176.4	-70.4	-32.9	0	0	0	111	E109 Q115 K116 D117	E109-N113 VanDerWaalsContact O-CB 3.29Å; E109-N113 WeakPolarHBondContact O-CB 3.49Å; E109-N113 PolarHBondContact O-N 2.8Å; E109-N113 PolarHBondContact O-ND2 2.89Å; N113-Q115 VanDerWaalsContact C-N 3.34Å; N113-Q115 PolarHBondContact O-N 3.46Å; N113-K116 WeakPolarHBondContact O-CB 3.45Å; N113-K116 PolarHBondContact O-N 2.87Å; N113-D117 VanDerWaalsContact O-CG 3.31Å; N113-D117 PolarHBondContact O-N 3.34Å
114	W	98.8	Very high	97	Very high	45 Å²	45	76.4 Å²	76.4	17%	0.17	37%	0.37	C	S	.	.	H	α-helix	trans	-60.1	-42.5	176.2	-175.1	91.9	0	0	0	112.5	C37 K110 L111 D117 S118 Y119 R239 F242	C37-W114 VanDerWaalsContact SG-CZ3 3.59Å; K110-W114 WeakPolarHBondContact O-CB 3.48Å; K110-W114 PolarHBondContact O-N 3.27Å; L111-W114 PolarHBondContact O-N 3.33Å; W114-D117 PolarHBondContact O-N 3.24Å; W114-S118 VanDerWaalsContact CE2-OG 3.31Å; W114-S118 WeakPolarHBondContact CZ2-OG 3.18Å; W114-S118 WeakPolarHBondContact O-CB 3.44Å; W114-S118 PolarHBondContact O-N 3.46Å; W114-S118 PolarHBondContact O-OG 2.97Å; W114-Y119 HydrophobicContact CH2-CE2 4.32Å; W114-Y119 AromaticContact CZ3-CE2 3.9Å; W114-Y119 HydrophobicContact CZ3-CE2 3.9Å; W114-R239 HydrophobicContact CH2-CB 3.6Å; W114-R239 HydrophobicContact CH2-CG 3.59Å; W114-R239 HydrophobicContact CZ2-CB 4.15Å; W114-R239 HydrophobicContact CZ2-CG 4.46Å; W114-R239 HydrophobicContact CZ3-CB 4.47Å; W114-R239 HydrophobicContact CZ3-CG 3.97Å; W114-F242 HydrophobicContact CB-CD1 4.3Å; W114-F242 HydrophobicContact CB-CD2 4.44Å; W114-F242 HydrophobicContact CB-CE1 3.67Å; W114-F242 HydrophobicContact CB-CE2 3.81Å; W114-F242 HydrophobicContact CB-CZ 3.4Å; W114-F242 AromaticContact CD1-CD2 3.5Å; W114-F242 AromaticContact CD1-CE2 3.68Å; W114-F242 AromaticContact CD1-CG 3.69Å; W114-F242 AromaticContact CD2-CD1 3.48Å; W114-F242 HydrophobicContact CD2-CD1 3.48Å; W114-F242 VanDerWaalsContact CD2-CD1 3.48Å; W114-F242 HydrophobicContact CD2-CD2 4.37Å; W114-F242 AromaticContact CD2-CE1 3.71Å; W114-F242 HydrophobicContact CD2-CE1 3.71Å; W114-F242 AromaticContact CD2-CG 3.85Å; W114-F242 HydrophobicContact CD2-CG 3.85Å; W114-F242 HydrophobicContact CD2-CZ 4.25Å; W114-F242 AromaticContact CE2-CD1 3.82Å; W114-F242 AromaticContact CE2-CG 3.78Å; W114-F242 AromaticContact CE3-CD1 3.82Å; W114-F242 HydrophobicContact CE3-CD1 3.82Å; W114-F242 AromaticContact CE3-CE1 3.97Å; W114-F242 HydrophobicContact CE3-CE1 3.97Å; W114-F242 AromaticContact CG-CD1 3.67Å; W114-F242 HydrophobicContact CG-CD1 3.67Å; W114-F242 AromaticContact CG-CD2 3.86Å; W114-F242 HydrophobicContact CG-CD2 3.86Å; W114-F242 AromaticContact CG-CE1 3.56Å; W114-F242 HydrophobicContact CG-CE1 3.56Å; W114-F242 AromaticContact CG-CE2 3.73Å; W114-F242 HydrophobicContact CG-CE2 3.73Å; W114-F242 AromaticContact CG-CG 3.83Å; W114-F242 HydrophobicContact CG-CG 3.83Å; W114-F242 AromaticContact CG-CZ 3.59Å; W114-F242 HydrophobicContact CG-CZ 3.59Å; W114-F242 HydrophobicContact CZ2-CB 4.3Å; W114-F242 HydrophobicContact CZ2-CD1 4.47Å; W114-F242 HydrophobicContact CZ3-CD1 4.46Å; W114-F242 AromaticContact NE1-CD2 3.83Å; W114-F242 AromaticContact NE1-CG 3.63Å
115	Q	98.4	Very high	96.5	Very high	25 Å²	25	77.1 Å²	77.1	12%	0.117	39%	0.386	C	S	.	.	H	α-helix	trans	-61.4	-46.2	176.1	-174	-169.2	40.2	0	0	110.6	N34 C37 S38 L111 K112 N113 D117 S118 Y119	N34-Q115 PolarHBondContact O-NE2 3.01Å; N34-Q115 WeakPolarHBondContact OD1-CG 3.49Å; N34-Q115 PolarHBondContact OD1-NE2 3.24Å; C37-Q115 HydrophobicContact CB-CB 4.05Å; C37-Q115 HydrophobicContact CB-CG 3.81Å; S38-Q115 PolarHBondContact OG-NE2 3.32Å; L111-Q115 WeakPolarHBondContact O-CB 3.49Å; L111-Q115 PolarHBondContact O-N 2.99Å; K112-Q115 PolarHBondContact O-N 2.94Å; N113-Q115 VanDerWaalsContact C-N 3.34Å; N113-Q115 PolarHBondContact O-N 3.46Å; Q115-D117 VanDerWaalsContact C-N 3.33Å; Q115-D117 PolarHBondContact O-N 3.16Å; Q115-S118 PolarHBondContact O-N 3.37Å; Q115-Y119 HydrophobicContact CG-CD2 4.01Å; Q115-Y119 WeakPolarHBondContact O-CB 3.41Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.08Å; Q115-Y119 PolarHBondContact O-N 3.24Å
116	K	97.9	Very high	96.2	Very high	149 Å²	149	75.6 Å²	75.6	65%	0.648	38%	0.382	S	S	*	.	H	α-helix	trans	-60.8	-40.7	178.3	-177.4	-174.5	174.6	-170.8	0	112.6	K112 N113	K112-K116 WeakPolarHBondContact O-CB 3.3Å; K112-K116 PolarHBondContact O-N 2.61Å; N113-K116 WeakPolarHBondContact O-CB 3.45Å; N113-K116 PolarHBondContact O-N 2.87Å
117	D	98.1	Very high	96.1	Very high	113 Å²	113	72.4 Å²	72.4	60%	0.604	37%	0.365	S	S	*	.	H	α-helix	trans	-78.6	-22.3	-178.9	-66.8	-15.6	0	0	0	112.7	N113 W114 Q115 H120	N113-D117 VanDerWaalsContact O-CG 3.31Å; N113-D117 PolarHBondContact O-N 3.34Å; W114-D117 PolarHBondContact O-N 3.24Å; Q115-D117 VanDerWaalsContact C-N 3.33Å; Q115-D117 PolarHBondContact O-N 3.16Å; D117-H120 PolarHBondContact O-CE1 3.35Å
118	S	97.8	Very high	96	Very high	21 Å²	21	76.6 Å²	76.6	15%	0.147	38%	0.384	C	S	.	.	H	α-helix	trans	-93.9	-26.4	-178.7	-57.8	0	0	0	0	113.4	W114 Q115	W114-S118 VanDerWaalsContact CE2-OG 3.31Å; W114-S118 WeakPolarHBondContact CZ2-OG 3.18Å; W114-S118 WeakPolarHBondContact O-CB 3.44Å; W114-S118 PolarHBondContact O-N 3.46Å; W114-S118 PolarHBondContact O-OG 2.97Å; Q115-S118 PolarHBondContact O-N 3.37Å
119	Y	97.9	Very high	96	Very high	9 Å²	9	75.6 Å²	75.6	4%	0.035	38%	0.381	C	S	.	.			trans	-127.4	110.4	-172.4	-65.4	-77.1	0	0	0	112.1	V30 G33 N34 W114 Q115 Y127 F235	V30-Y119 HydrophobicContact CG1-CE1 4.37Å; V30-Y119 VanDerWaalsContact O-CE1 3.28Å; V30-Y119 WeakPolarHBondContact O-CE1 3.46Å; G33-Y119 WeakPolarHBondContact CA-OH 3.27Å; N34-Y119 HydrophobicContact CB-CD1 3.77Å; N34-Y119 HydrophobicContact CB-CD2 3.92Å; N34-Y119 HydrophobicContact CB-CE1 3.87Å; N34-Y119 HydrophobicContact CB-CE2 4.03Å; N34-Y119 HydrophobicContact CB-CG 3.78Å; N34-Y119 VanDerWaalsContact N-CZ 3.35Å; N34-Y119 PolarHBondContact N-OH 3.23Å; W114-Y119 HydrophobicContact CH2-CE2 4.32Å; W114-Y119 AromaticContact CZ3-CE2 3.9Å; W114-Y119 HydrophobicContact CZ3-CE2 3.9Å; Q115-Y119 HydrophobicContact CG-CD2 4.01Å; Q115-Y119 WeakPolarHBondContact O-CB 3.41Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.08Å; Q115-Y119 PolarHBondContact O-N 3.24Å; Y119-Y127 HydrophobicContact CD1-CD1 4.41Å; Y119-Y127 HydrophobicContact CD1-CG 4.47Å; Y119-Y127 HydrophobicContact CG-CD1 4.47Å; Y119-F235 HydrophobicContact CD1-CZ 4.22Å; Y119-F235 AromaticContact CE1-CE1 3.65Å; Y119-F235 HydrophobicContact CE1-CE1 3.65Å; Y119-F235 AromaticContact CE1-CZ 3.73Å; Y119-F235 HydrophobicContact CE1-CZ 3.73Å; Y119-F235 AromaticContact CZ-CE1 3.86Å; Y119-F235 AromaticContact CZ-CZ 3.93Å
120	H	97.9	Very high	95.9	Very high	90 Å²	90	73.4 Å²	73.4	42%	0.417	37%	0.371	S	S	.	.			trans	-103.8	107.9	-174.5	-57.6	85.5	0	0	0	111.1	D117 K128 E129	D117-H120 PolarHBondContact O-CE1 3.35Å; H120-K128 HydrophobicContact CB-CB 4.05Å; H120-K128 HydrophobicContact CB-CD 4.46Å; H120-K128 WeakPolarHBondContact O-CB 3.3Å; H120-K128 PolarHBondContact O-N 3.45Å; H120-E129 IonicContact CE1-OE1 3.22Å; H120-E129 IonicContact CG-OE1 2.91Å; H120-E129 PolarHBondContact N-OE2 3.29Å; H120-E129 IonicContact ND1-OE1 2.83Å; H120-E129 PolarHBondContact ND1-OE1 3.05Å; H120-E129 IonicContact ND1-OE2 2.7Å
121	K	95.1	Very high	95.8	Very high	172 Å²	172	75.2 Å²	75.2	75%	0.748	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-61.4	138.8	177.1	-73.8	-172.9	178.8	-178.4	0	111.7	Y127	K121-Y127 HydrophobicContact CG-CD1 4.24Å; K121-Y127 HydrophobicContact CG-CE1 3.71Å
122	Q	93.4	Very high	95.8	Very high	66 Å²	66	80.5 Å²	80.5	31%	0.308	40%	0.404	S	S	.	.			trans	-99.4	156	174.8	-58.7	-164.8	-40.8	0	0	112.1	I124 G125 G126 K128	Q122-I124 PolarHBondContact O-N 3.28Å; Q122-I124 VanDerWaalsContact O-N 3.17Å; Q122-G125 PolarHBondContact O-N 2.78Å; Q122-G125 VanDerWaalsContact O-N 3.1Å; Q122-G126 PolarHBondContact N-O 2.99Å; Q122-K128 HydrophobicContact CG-CB 4.22Å
123	M	88.3	Confident	95.7	Very high	200 Å²	200	77.8 Å²	77.8	99%	0.985	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.9	179	-69	-70.8	-80.7	0	0	113.8	G125	M123-G125 VanDerWaalsContact C-N 3.34Å
124	I	86.7	Confident	95.7	Very high	168 Å²	168	75.3 Å²	75.3	86%	0.862	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	13	-176.3	-53.5	171.5	0	0	0	110.6	Q122	Q122-I124 PolarHBondContact O-N 3.28Å; Q122-I124 VanDerWaalsContact O-N 3.17Å
125	G	88.2	Confident	95.7	Very high	49 Å²	49	76.9 Å²	76.9	51%	0.505	39%	0.392	S	S	.	.	S	Bend	trans	82.3	162.4	-172.5	0	0	0	0	0	112.7	Q122 M123	Q122-G125 PolarHBondContact O-N 2.78Å; Q122-G125 VanDerWaalsContact O-N 3.1Å; M123-G125 VanDerWaalsContact C-N 3.34Å
126	G	92.3	Very high	95.7	Very high	45 Å²	45	76.7 Å²	76.7	46%	0.464	40%	0.397	S	S	.	.	S	Bend	trans	77.7	-179.4	-173.9	0	0	0	0	0	114.2	Q122	Q122-G126 PolarHBondContact N-O 2.99Å
127	Y	96.6	Very high	95.7	Very high	40 Å²	40	69.6 Å²	69.6	16%	0.157	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-108.2	143.2	-177.3	-64	-79.9	0	0	0	111.6	N34 Y119 K121 E129 T130 K131	N34-Y127 HydrophobicContact CB-CE1 4.49Å; N34-Y127 HydrophobicContact CB-CE2 4.06Å; N34-Y127 PolarHBondContact ND2-OH 2.95Å; N34-Y127 PolarHBondContact OD1-OH 3.09Å; Y119-Y127 HydrophobicContact CD1-CD1 4.41Å; Y119-Y127 HydrophobicContact CD1-CG 4.47Å; Y119-Y127 HydrophobicContact CG-CD1 4.47Å; K121-Y127 HydrophobicContact CG-CD1 4.24Å; K121-Y127 HydrophobicContact CG-CE1 3.71Å; Y127-E129 VanDerWaalsContact C-N 3.27Å; Y127-E129 PolarHBondContact O-N 3.49Å; Y127-T130 PolarHBondContact O-N 3.37Å; Y127-K131 PolarHBondContact O-N 3.37Å; Y127-K131 VanDerWaalsContact O-N 3.07Å
128	K	97.2	Very high	95.7	Very high	90 Å²	90	70.6 Å²	70.6	39%	0.391	36%	0.362	S	S	.	.	H	α-helix	trans	-56.6	-44.6	177.5	-179.9	-173.2	165	-169.4	0	111	H120 Q122 T130 K131 E132	H120-K128 HydrophobicContact CB-CB 4.05Å; H120-K128 HydrophobicContact CB-CD 4.46Å; H120-K128 WeakPolarHBondContact O-CB 3.3Å; H120-K128 PolarHBondContact O-N 3.45Å; Q122-K128 HydrophobicContact CG-CB 4.22Å; K128-T130 PolarHBondContact O-N 3.26Å; K128-K131 PolarHBondContact O-N 3.04Å; K128-E132 WeakPolarHBondContact CE-OE1 3.49Å; K128-E132 HydrophobicContact CG-CG 4.33Å; K128-E132 IonicContact NZ-OE1 2.76Å; K128-E132 WeakPolarHBondContact O-CB 3.45Å; K128-E132 WeakPolarHBondContact O-CG 3.11Å; K128-E132 PolarHBondContact O-N 2.84Å
129	E	97.7	Very high	95.8	Very high	23 Å²	23	77.9 Å²	77.9	11%	0.107	39%	0.391	C	S	.	.	H	α-helix	trans	-63	-42	-177.5	-65.8	66.4	-142.3	0	0	111.5	V30 H120 Y127 T133 F235	V30-E129 HydrophobicContact CG1-CB 3.98Å; H120-E129 IonicContact CE1-OE1 3.22Å; H120-E129 IonicContact CG-OE1 2.91Å; H120-E129 PolarHBondContact N-OE2 3.29Å; H120-E129 IonicContact ND1-OE1 2.83Å; H120-E129 PolarHBondContact ND1-OE1 3.05Å; H120-E129 IonicContact ND1-OE2 2.7Å; Y127-E129 VanDerWaalsContact C-N 3.27Å; Y127-E129 PolarHBondContact O-N 3.49Å; E129-T133 WeakPolarHBondContact O-CB 3.44Å; E129-T133 PolarHBondContact O-N 3.28Å; E129-T133 PolarHBondContact O-OG1 3.17Å; E129-F235 HydrophobicContact CB-CZ 4.38Å; E129-F235 HydrophobicContact CG-CE2 4.16Å; E129-F235 HydrophobicContact CG-CZ 4.09Å
130	T	97.2	Very high	95.8	Very high	14 Å²	14	77.9 Å²	77.9	9%	0.086	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-46.6	175.3	-55.6	0	0	0	0	111.1	V27 V30 D31 Y127 K128 T133 D134	V27-T130 HydrophobicContact CG1-CG2 3.57Å; V30-T130 WeakPolarHBondContact CG1-OG1 3.39Å; D31-T130 VanDerWaalsContact CG-CG2 3.45Å; D31-T130 VanDerWaalsContact OD1-CB 3.25Å; D31-T130 WeakPolarHBondContact OD1-CB 3.44Å; D31-T130 VanDerWaalsContact OD1-CG2 3.26Å; D31-T130 WeakPolarHBondContact OD1-CG2 3.35Å; D31-T130 PolarHBondContact OD1-OG1 3.09Å; D31-T130 VanDerWaalsContact OD2-CG2 3.26Å; D31-T130 WeakPolarHBondContact OD2-CG2 3.39Å; Y127-T130 PolarHBondContact O-N 3.37Å; K128-T130 PolarHBondContact O-N 3.26Å; T130-T133 PolarHBondContact O-N 3.49Å; T130-D134 PolarHBondContact O-N 3.08Å
131	K	96.9	Very high	95.8	Very high	101 Å²	101	74 Å²	74	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-45.2	178.8	-178	176.3	178.5	176.7	0	112	Y127 K128 T133 D134 D135	Y127-K131 PolarHBondContact O-N 3.37Å; Y127-K131 VanDerWaalsContact O-N 3.07Å; K128-K131 PolarHBondContact O-N 3.04Å; K131-T133 VanDerWaalsContact C-N 3.25Å; K131-T133 PolarHBondContact O-N 2.94Å; K131-D134 PolarHBondContact O-N 3.25Å; K131-D135 WeakPolarHBondContact O-CB 3.48Å; K131-D135 PolarHBondContact O-N 3.35Å
132	E	97.5	Very high	95.9	Very high	110 Å²	110	73.3 Å²	73.3	51%	0.514	37%	0.371	S	S	.	.	H	α-helix	trans	-59.8	-38.7	177.3	-75.2	179.2	167.1	0	0	111.5	K128 G136	K128-E132 WeakPolarHBondContact CE-OE1 3.49Å; K128-E132 HydrophobicContact CG-CG 4.33Å; K128-E132 IonicContact NZ-OE1 2.76Å; K128-E132 WeakPolarHBondContact O-CB 3.45Å; K128-E132 WeakPolarHBondContact O-CG 3.11Å; K128-E132 PolarHBondContact O-N 2.84Å; E132-G136 PolarHBondContact O-N 3.25Å
133	T	98	Very high	96.1	Very high	23 Å²	23	73.6 Å²	73.6	14%	0.141	38%	0.379	C	S	.	.	H	α-helix	trans	-67.5	-46.7	175.5	-53.7	0	0	0	0	111.9	V27 E129 T130 K131 G136 F137 V228	V27-T133 HydrophobicContact CG2-CG2 4.09Å; E129-T133 WeakPolarHBondContact O-CB 3.44Å; E129-T133 PolarHBondContact O-N 3.28Å; E129-T133 PolarHBondContact O-OG1 3.17Å; T130-T133 PolarHBondContact O-N 3.49Å; K131-T133 VanDerWaalsContact C-N 3.25Å; K131-T133 PolarHBondContact O-N 2.94Å; T133-G136 PolarHBondContact O-N 3.02Å; T133-F137 HydrophobicContact CG2-CD2 3.95Å; T133-F137 HydrophobicContact CG2-CE2 3.65Å; T133-F137 VanDerWaalsContact O-CD2 3.27Å; T133-F137 WeakPolarHBondContact O-CD2 3.14Å; T133-F137 PolarHBondContact O-N 3.28Å; T133-V228 HydrophobicContact CG2-CG1 4.44Å
134	D	98	Very high	96.6	Very high	28 Å²	28	65.5 Å²	65.5	15%	0.15	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-46.9	176.6	-174.4	39.1	0	0	0	111.5	Y23 V27 T130 K131 G136 F137 R138	Y23-D134 VanDerWaalsContact CE2-OD1 3.3Å; Y23-D134 WeakPolarHBondContact CE2-OD1 3.47Å; Y23-D134 PolarHBondContact OH-OD1 3.41Å; V27-D134 HydrophobicContact CG1-CB 4.03Å; V27-D134 HydrophobicContact CG2-CB 4.15Å; T130-D134 PolarHBondContact O-N 3.08Å; K131-D134 PolarHBondContact O-N 3.25Å; D134-G136 VanDerWaalsContact C-N 3.29Å; D134-G136 PolarHBondContact O-N 3.28Å; D134-F137 PolarHBondContact O-N 2.85Å; D134-R138 VanDerWaalsContact CG-NE 3.33Å; D134-R138 WeakPolarHBondContact O-CB 3.41Å; D134-R138 VanDerWaalsContact O-CG 3.28Å; D134-R138 WeakPolarHBondContact O-CG 3.26Å; D134-R138 PolarHBondContact O-N 2.96Å; D134-R138 IonicContact OD1-NE 3.27Å; D134-R138 PolarHBondContact OD1-NE 3.12Å; D134-R138 IonicContact OD1-NH2 2.7Å; D134-R138 IonicContact OD2-CZ 3.43Å; D134-R138 IonicContact OD2-NE 3.76Å; D134-R138 PolarHBondContact OD2-NE 3.19Å; D134-R138 IonicContact OD2-NH2 2.66Å; D134-R138 PolarHBondContact OD2-NH2 2.89Å
135	D	98.2	Very high	97.1	Very high	78 Å²	78	58.7 Å²	58.7	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-37.8	178	-76.7	-21.8	0	0	0	111.3	K131 K139	K131-D135 WeakPolarHBondContact O-CB 3.48Å; K131-D135 PolarHBondContact O-N 3.35Å; D135-K139 VanDerWaalsContact O-CB 3.26Å; D135-K139 WeakPolarHBondContact O-CB 3.36Å; D135-K139 PolarHBondContact O-N 2.59Å
136	G	98.4	Very high	97.6	Very high	21 Å²	21	63.2 Å²	63.2	22%	0.216	31%	0.312	C	S	.	.	H	α-helix	trans	-57.8	-53.9	172.7	0	0	0	0	0	112.3	E132 T133 D134 K139 A140	E132-G136 PolarHBondContact O-N 3.25Å; T133-G136 PolarHBondContact O-N 3.02Å; D134-G136 VanDerWaalsContact C-N 3.29Å; D134-G136 PolarHBondContact O-N 3.28Å; G136-K139 PolarHBondContact O-N 3.38Å; G136-A140 WeakPolarHBondContact O-CB 3.33Å; G136-A140 PolarHBondContact O-N 2.79Å
137	F	98.7	Very high	97.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-42.6	178.3	-77.7	-57.8	0	0	0	112.6	F17 Y23 T26 V27 T133 D134 K139 A140 Q141 M225 V228 F229	F17-F137 HydrophobicContact CE2-CE1 4.11Å; F17-F137 HydrophobicContact CE2-CZ 4.29Å; F17-F137 AromaticContact CZ-CE1 3.79Å; F17-F137 HydrophobicContact CZ-CE1 3.79Å; F17-F137 HydrophobicContact CZ-CZ 4.35Å; Y23-F137 HydrophobicContact CD1-CB 3.85Å; Y23-F137 HydrophobicContact CD1-CG 4.32Å; Y23-F137 HydrophobicContact CD2-CB 3.29Å; Y23-F137 HydrophobicContact CD2-CD1 4.38Å; Y23-F137 AromaticContact CD2-CD2 3.47Å; Y23-F137 HydrophobicContact CD2-CD2 3.47Å; Y23-F137 VanDerWaalsContact CD2-CD2 3.47Å; Y23-F137 HydrophobicContact CD2-CE2 4.36Å; Y23-F137 AromaticContact CD2-CG 3.48Å; Y23-F137 HydrophobicContact CD2-CG 3.48Å; Y23-F137 VanDerWaalsContact CD2-CG 3.48Å; Y23-F137 HydrophobicContact CE1-CB 3.94Å; Y23-F137 HydrophobicContact CE2-CB 3.42Å; Y23-F137 VanDerWaalsContact CE2-CB 3.42Å; Y23-F137 HydrophobicContact CE2-CD2 4.2Å; Y23-F137 HydrophobicContact CE2-CG 4.11Å; Y23-F137 HydrophobicContact CG-CB 3.54Å; Y23-F137 HydrophobicContact CG-CD1 4.09Å; Y23-F137 AromaticContact CG-CD2 3.96Å; Y23-F137 HydrophobicContact CG-CD2 3.96Å; Y23-F137 AromaticContact CG-CG 3.62Å; Y23-F137 HydrophobicContact CG-CG 3.62Å; T26-F137 HydrophobicContact CG2-CE2 4.03Å; T26-F137 HydrophobicContact CG2-CZ 4.1Å; V27-F137 HydrophobicContact CG2-CD2 3.86Å; V27-F137 HydrophobicContact CG2-CE2 4.26Å; T133-F137 HydrophobicContact CG2-CD2 3.95Å; T133-F137 HydrophobicContact CG2-CE2 3.65Å; T133-F137 VanDerWaalsContact O-CD2 3.27Å; T133-F137 WeakPolarHBondContact O-CD2 3.14Å; T133-F137 PolarHBondContact O-N 3.28Å; D134-F137 PolarHBondContact O-N 2.85Å; F137-K139 VanDerWaalsContact C-N 3.28Å; F137-K139 PolarHBondContact O-N 3.45Å; F137-A140 PolarHBondContact O-N 3.34Å; F137-Q141 WeakPolarHBondContact O-CB 3.49Å; F137-Q141 PolarHBondContact O-N 3.38Å; F137-M225 HydrophobicContact CD1-CE 3.73Å; F137-M225 HydrophobicContact CD1-SD 3.79Å; F137-M225 HydrophobicContact CE1-CE 4.24Å; F137-V228 HydrophobicContact CD1-CB 3.97Å; F137-V228 HydrophobicContact CD1-CG1 3.85Å; F137-V228 HydrophobicContact CD2-CG1 3.84Å; F137-V228 HydrophobicContact CE1-CB 3.82Å; F137-V228 HydrophobicContact CE1-CG1 3.82Å; F137-V228 HydrophobicContact CE2-CG1 3.82Å; F137-V228 HydrophobicContact CG-CB 4.45Å; F137-V228 HydrophobicContact CG-CG1 3.86Å; F137-V228 HydrophobicContact CZ-CB 4.21Å; F137-V228 HydrophobicContact CZ-CG1 3.81Å; F137-F229 HydrophobicContact CE1-CB 4.22Å; F137-F229 HydrophobicContact CZ-CB 4.12Å; F137-F229 HydrophobicContact CZ-CD2 4.43Å
138	R	98.4	Very high	97.9	Very high	135 Å²	135	62 Å²	62	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-56.8	-44.3	175	-74.2	178.7	-171.9	-136.3	10.2	111.1	Y23 D134 K142	Y23-R138 WeakPolarHBondContact OH-CG 3.43Å; D134-R138 VanDerWaalsContact CG-NE 3.33Å; D134-R138 WeakPolarHBondContact O-CB 3.41Å; D134-R138 VanDerWaalsContact O-CG 3.28Å; D134-R138 WeakPolarHBondContact O-CG 3.26Å; D134-R138 PolarHBondContact O-N 2.96Å; D134-R138 IonicContact OD1-NE 3.27Å; D134-R138 PolarHBondContact OD1-NE 3.12Å; D134-R138 IonicContact OD1-NH2 2.7Å; D134-R138 IonicContact OD2-CZ 3.43Å; D134-R138 IonicContact OD2-NE 3.76Å; D134-R138 PolarHBondContact OD2-NE 3.19Å; D134-R138 IonicContact OD2-NH2 2.66Å; D134-R138 PolarHBondContact OD2-NH2 2.89Å; R138-K142 WeakPolarHBondContact O-CB 3.48Å; R138-K142 PolarHBondContact O-N 3.33Å
139	K	98.4	Very high	97.9	Very high	174 Å²	174	64.8 Å²	64.8	76%	0.757	31%	0.309	S	S	*	.	H	α-helix	trans	-65.2	-43.6	179	-175.2	-178.2	176.4	-173	0	111.6	D135 G136 F137	D135-K139 VanDerWaalsContact O-CB 3.26Å; D135-K139 WeakPolarHBondContact O-CB 3.36Å; D135-K139 PolarHBondContact O-N 2.59Å; G136-K139 PolarHBondContact O-N 3.38Å; F137-K139 VanDerWaalsContact C-N 3.28Å; F137-K139 PolarHBondContact O-N 3.45Å
140	A	98.3	Very high	97.9	Very high	8 Å²	8	67.2 Å²	67.2	7%	0.066	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-43	178.1	0	0	0	0	0	112.7	G136 F137 N224 M225	G136-A140 WeakPolarHBondContact O-CB 3.33Å; G136-A140 PolarHBondContact O-N 2.79Å; F137-A140 PolarHBondContact O-N 3.34Å; A140-N224 HydrophobicContact CB-CB 3.67Å; A140-M225 HydrophobicContact CB-CG 4.25Å; A140-M225 HydrophobicContact CB-SD 3.8Å
141	Q	98.3	Very high	98	Very high	8 Å²	8	67 Å²	67	4%	0.037	32%	0.318	C	S	.	.	H	α-helix	trans	-83.7	-25.6	-174.4	-169.5	169.6	74.1	0	0	113.8	E19 Y23 F137 W144 A145 Y221 M225	E19-Q141 PolarHBondContact O-NE2 2.97Å; Y23-Q141 VanDerWaalsContact CE1-OE1 3.3Å; F137-Q141 WeakPolarHBondContact O-CB 3.49Å; F137-Q141 PolarHBondContact O-N 3.38Å; Q141-W144 PolarHBondContact O-N 2.8Å; Q141-A145 HydrophobicContact CG-CB 4.28Å; Q141-A145 WeakPolarHBondContact O-CB 3.31Å; Q141-A145 PolarHBondContact O-N 3.04Å; Q141-Y221 HydrophobicContact CB-CE2 3.96Å; Q141-Y221 HydrophobicContact CG-CE2 3.72Å; Q141-Y221 PolarHBondContact NE2-OH 3.05Å; Q141-M225 HydrophobicContact CB-SD 3.88Å
142	K	97.9	Very high	98	Very high	158 Å²	158	66.6 Å²	66.6	69%	0.687	32%	0.318	S	S	*	.	H	α-helix	trans	-53	-45.9	-172.8	176.9	177.3	-175.5	179.3	0	115	R138 K146	R138-K142 WeakPolarHBondContact O-CB 3.48Å; R138-K142 PolarHBondContact O-N 3.33Å; K142-K146 WeakPolarHBondContact O-CB 3.45Å; K142-K146 PolarHBondContact O-N 3.29Å
143	P	97.9	Very high	98	Very high	73 Å²	73	64.7 Å²	64.7	47%	0.474	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-43.8	179.8	-21.7	34.1	0	0	0	112.3	K147	P143-K147 PolarHBondContact O-N 2.93Å
144	W	98.5	Very high	98	Very high	29 Å²	29	66.5 Å²	66.5	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-69.3	-46	-179.6	-173	92.2	0	0	0	111.7	V20 Q141 K146 K147 L148 L214 T218 Y221	V20-W144 HydrophobicContact CG2-CE3 4.29Å; V20-W144 HydrophobicContact CG2-CZ3 3.77Å; Q141-W144 PolarHBondContact O-N 2.8Å; W144-K146 VanDerWaalsContact C-N 3.32Å; W144-K146 PolarHBondContact O-N 2.81Å; W144-K147 CarbonylContact O-C 3.58Å; W144-K147 PolarHBondContact O-N 3.26Å; W144-L148 HydrophobicContact CE3-CB 4.5Å; W144-L148 HydrophobicContact CE3-CD2 4.44Å; W144-L148 HydrophobicContact CH2-CD1 4.44Å; W144-L148 HydrophobicContact CH2-CD2 3.74Å; W144-L148 HydrophobicContact CH2-CG 4.5Å; W144-L148 HydrophobicContact CZ3-CB 4.39Å; W144-L148 HydrophobicContact CZ3-CD2 3.61Å; W144-L148 PolarHBondContact O-N 2.97Å; W144-L214 HydrophobicContact CD2-CD1 4.22Å; W144-L214 HydrophobicContact CG-CD1 4.1Å; W144-T218 PolarHBondContact NE1-OG1 3.03Å; W144-Y221 HydrophobicContact CB-CD1 4.33Å; W144-Y221 HydrophobicContact CB-CD2 3.8Å; W144-Y221 HydrophobicContact CB-CE2 4.44Å; W144-Y221 HydrophobicContact CB-CG 3.73Å; W144-Y221 AromaticContact CD1-CD1 3.77Å; W144-Y221 AromaticContact CD1-CG 3.86Å; W144-Y221 AromaticContact CD2-CD1 3.96Å; W144-Y221 HydrophobicContact CD2-CD1 3.96Å; W144-Y221 AromaticContact CD2-CE1 3.99Å; W144-Y221 HydrophobicContact CD2-CE1 3.99Å; W144-Y221 HydrophobicContact CD2-CG 4.26Å; W144-Y221 HydrophobicContact CE3-CE1 4.24Å; W144-Y221 AromaticContact CG-CD1 3.79Å; W144-Y221 HydrophobicContact CG-CD1 3.79Å; W144-Y221 HydrophobicContact CG-CD2 4.13Å; W144-Y221 HydrophobicContact CG-CE1 4.28Å; W144-Y221 AromaticContact CG-CG 3.68Å; W144-Y221 HydrophobicContact CG-CG 3.68Å; W144-Y221 AromaticContact NE1-CD1 3.95Å
145	A	97.5	Very high	98	Very high	25 Å²	25	69.6 Å²	69.6	21%	0.207	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-38.2	177.1	0	0	0	0	0	112.6	V20 Q141 K147 L148 K149	V20-A145 HydrophobicContact CG1-CB 4.05Å; V20-A145 HydrophobicContact CG2-CB 3.98Å; Q141-A145 HydrophobicContact CG-CB 4.28Å; Q141-A145 WeakPolarHBondContact O-CB 3.31Å; Q141-A145 PolarHBondContact O-N 3.04Å; A145-K147 VanDerWaalsContact C-N 3.31Å; A145-K147 PolarHBondContact O-N 3.39Å; A145-L148 PolarHBondContact O-N 3.28Å; A145-K149 PolarHBondContact O-N 2.98Å; A145-K149 VanDerWaalsContact O-N 3.11Å
146	K	97.7	Very high	98	Very high	144 Å²	144	72.8 Å²	72.8	63%	0.626	34%	0.344	S	S	*	.	H	α-helix	trans	-60.5	-43.9	172.7	-176.6	-177	174.8	-173	0	110.6	K142 W144 K149 E150	K142-K146 WeakPolarHBondContact O-CB 3.45Å; K142-K146 PolarHBondContact O-N 3.29Å; W144-K146 VanDerWaalsContact C-N 3.32Å; W144-K146 PolarHBondContact O-N 2.81Å; K146-K149 PolarHBondContact O-N 3.45Å; K146-E150 PolarHBondContact O-N 3.09Å
147	K	97.9	Very high	98	Very high	26 Å²	26	74.4 Å²	74.4	11%	0.113	35%	0.352	C	S	.	.	H	α-helix	trans	-70.4	-38.6	-179.5	-167.3	62.8	178.4	178.1	0	112.7	P143 W144 A145 K149 E150 V151 E213 L214 L217	P143-K147 PolarHBondContact O-N 2.93Å; W144-K147 CarbonylContact O-C 3.58Å; W144-K147 PolarHBondContact O-N 3.26Å; A145-K147 VanDerWaalsContact C-N 3.31Å; A145-K147 PolarHBondContact O-N 3.39Å; K147-K149 VanDerWaalsContact C-N 3.29Å; K147-K149 PolarHBondContact O-N 2.84Å; K147-E150 WeakPolarHBondContact CD-OE2 3.28Å; K147-E150 IonicContact NZ-OE2 3.32Å; K147-E150 PolarHBondContact NZ-OE2 3.28Å; K147-E150 WeakPolarHBondContact O-CB 3.47Å; K147-E150 PolarHBondContact O-N 3.46Å; K147-E150 VanDerWaalsContact O-N 3.08Å; K147-V151 WeakPolarHBondContact O-CG2 3.49Å; K147-V151 PolarHBondContact O-N 3.42Å; K147-E213 VanDerWaalsContact CE-CB 3.41Å; K147-E213 WeakPolarHBondContact CE-OE2 3.47Å; K147-E213 IonicContact NZ-OE2 2.76Å; K147-E213 PolarHBondContact NZ-OE2 3.19Å; K147-L214 HydrophobicContact CB-CD1 3.78Å; K147-L214 HydrophobicContact CG-CB 4.03Å; K147-L214 HydrophobicContact CG-CD1 3.89Å; K147-L217 HydrophobicContact CB-CD1 3.88Å; K147-L217 HydrophobicContact CG-CD1 3.97Å
148	L	97.7	Very high	98	Very high	35 Å²	35	77.2 Å²	77.2	18%	0.183	36%	0.363	C	S	.	.	H	α-helix	trans	-57.5	-43.2	173.7	-178.5	65.9	0	0	0	111.3	V20 W144 A145 E150 V151 E152 L214	V20-L148 HydrophobicContact CG2-CD2 3.92Å; W144-L148 HydrophobicContact CE3-CB 4.5Å; W144-L148 HydrophobicContact CE3-CD2 4.44Å; W144-L148 HydrophobicContact CH2-CD1 4.44Å; W144-L148 HydrophobicContact CH2-CD2 3.74Å; W144-L148 HydrophobicContact CH2-CG 4.5Å; W144-L148 HydrophobicContact CZ3-CB 4.39Å; W144-L148 HydrophobicContact CZ3-CD2 3.61Å; W144-L148 PolarHBondContact O-N 2.97Å; A145-L148 PolarHBondContact O-N 3.28Å; L148-E150 VanDerWaalsContact C-N 3.3Å; L148-E150 PolarHBondContact O-N 3.34Å; L148-V151 WeakPolarHBondContact O-CB 3.24Å; L148-V151 PolarHBondContact O-N 2.77Å; L148-V151 VanDerWaalsContact O-N 3.13Å; L148-E152 WeakPolarHBondContact O-CG 3.32Å; L148-E152 PolarHBondContact O-N 2.92Å; L148-L214 HydrophobicContact CB-CD1 4.38Å; L148-L214 HydrophobicContact CD1-CD2 3.94Å
149	K	97.6	Very high	98	Very high	147 Å²	147	75.5 Å²	75.5	64%	0.639	36%	0.36	S	S	*	.	H	α-helix	trans	-61.6	-35.6	175.6	-172.5	175.5	-178.6	174.9	0	113.1	A145 K146 K147 T153	A145-K149 PolarHBondContact O-N 2.98Å; A145-K149 VanDerWaalsContact O-N 3.11Å; K146-K149 PolarHBondContact O-N 3.45Å; K147-K149 VanDerWaalsContact C-N 3.29Å; K147-K149 PolarHBondContact O-N 2.84Å; K149-T153 PolarHBondContact O-N 3.43Å; K149-T153 VanDerWaalsContact O-N 3.16Å; K149-T153 PolarHBondContact O-OG1 3.48Å
150	E	97.5	Very high	98	Very high	75 Å²	75	70 Å²	70	35%	0.35	35%	0.348	S	S	.	.	H	α-helix	trans	-66.1	-45.5	172.9	-67	174.1	-165.1	0	0	111	K146 K147 L148 E152 T153 M154	K146-E150 PolarHBondContact O-N 3.09Å; K147-E150 WeakPolarHBondContact CD-OE2 3.28Å; K147-E150 IonicContact NZ-OE2 3.32Å; K147-E150 PolarHBondContact NZ-OE2 3.28Å; K147-E150 WeakPolarHBondContact O-CB 3.47Å; K147-E150 PolarHBondContact O-N 3.46Å; K147-E150 VanDerWaalsContact O-N 3.08Å; L148-E150 VanDerWaalsContact C-N 3.3Å; L148-E150 PolarHBondContact O-N 3.34Å; E150-E152 PolarHBondContact O-N 2.84Å; E150-T153 WeakPolarHBondContact O-CB 3.33Å; E150-T153 PolarHBondContact O-N 2.89Å; E150-T153 VanDerWaalsContact O-N 3.12Å; E150-M154 WeakPolarHBondContact O-CG 3.46Å; E150-M154 PolarHBondContact O-N 3.23Å
151	V	98.1	Very high	97.9	Very high	8 Å²	8	70.4 Å²	70.4	5%	0.048	35%	0.351	C	S	.	.	H	α-helix	trans	-57.8	-45.6	175.7	170.9	0	0	0	0	111.3	K147 L148 T153 M154 K155 Y207 S210 L211 L214	K147-V151 WeakPolarHBondContact O-CG2 3.49Å; K147-V151 PolarHBondContact O-N 3.42Å; L148-V151 WeakPolarHBondContact O-CB 3.24Å; L148-V151 PolarHBondContact O-N 2.77Å; L148-V151 VanDerWaalsContact O-N 3.13Å; V151-T153 VanDerWaalsContact C-N 3.28Å; V151-T153 PolarHBondContact O-N 3.02Å; V151-M154 PolarHBondContact O-N 3.37Å; V151-K155 WeakPolarHBondContact O-CB 3.26Å; V151-K155 PolarHBondContact O-N 3.35Å; V151-Y207 HydrophobicContact CG1-CD2 4.39Å; V151-Y207 HydrophobicContact CG1-CE2 3.73Å; V151-S210 VanDerWaalsContact CG2-O 3.27Å; V151-S210 WeakPolarHBondContact CG2-O 3.42Å; V151-L211 HydrophobicContact CG1-CD2 3.5Å; V151-L211 HydrophobicContact CG1-CG 4.1Å; V151-L214 HydrophobicContact CG2-CB 4.07Å; V151-L214 HydrophobicContact CG2-CD2 4.08Å
152	E	97.4	Very high	97.9	Very high	93 Å²	93	71.1 Å²	71.1	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-36.7	176	-72.6	178	173.6	0	0	112.7	L148 E150 K156	L148-E152 WeakPolarHBondContact O-CG 3.32Å; L148-E152 PolarHBondContact O-N 2.92Å; E150-E152 PolarHBondContact O-N 2.84Å; E152-K156 WeakPolarHBondContact O-CG 3.34Å; E152-K156 PolarHBondContact O-N 3.49Å
153	T	98.1	Very high	97.9	Very high	71 Å²	71	70.6 Å²	70.6	44%	0.436	35%	0.354	S	S	.	.	H	α-helix	trans	-68.5	-42.5	177.1	-57.7	0	0	0	0	111.2	K149 E150 V151 K156 S157	K149-T153 PolarHBondContact O-N 3.43Å; K149-T153 VanDerWaalsContact O-N 3.16Å; K149-T153 PolarHBondContact O-OG1 3.48Å; E150-T153 WeakPolarHBondContact O-CB 3.33Å; E150-T153 PolarHBondContact O-N 2.89Å; E150-T153 VanDerWaalsContact O-N 3.12Å; V151-T153 VanDerWaalsContact C-N 3.28Å; V151-T153 PolarHBondContact O-N 3.02Å; T153-K156 PolarHBondContact O-N 3.26Å; T153-S157 PolarHBondContact O-N 3.19Å; T153-S157 PolarHBondContact O-OG 3.47Å
154	M	98.1	Very high	97.9	Very high	60 Å²	60	70.7 Å²	70.7	30%	0.296	35%	0.348	S	S	.	.	H	α-helix	trans	-67.3	-40.4	175.6	-63.7	-57.6	142.6	0	0	111.6	E150 V151 K156 S157 Y158 R206 Y207	E150-M154 WeakPolarHBondContact O-CG 3.46Å; E150-M154 PolarHBondContact O-N 3.23Å; V151-M154 PolarHBondContact O-N 3.37Å; M154-K156 PolarHBondContact O-N 3.05Å; M154-S157 WeakPolarHBondContact O-CB 3.28Å; M154-S157 PolarHBondContact O-N 2.56Å; M154-Y158 PolarHBondContact O-N 2.67Å; M154-R206 HydrophobicContact SD-CB 4.14Å; M154-Y207 HydrophobicContact CB-CD2 4.09Å
155	K	98.1	Very high	97.8	Very high	93 Å²	93	71.6 Å²	71.6	40%	0.404	35%	0.354	S	S	.	.	H	α-helix	trans	-56	-49.1	173	-177.1	179.2	177.9	176.5	0	111.6	V151 S157 Y158 H159 Y207	V151-K155 WeakPolarHBondContact O-CB 3.26Å; V151-K155 PolarHBondContact O-N 3.35Å; K155-S157 VanDerWaalsContact C-N 3.32Å; K155-S157 PolarHBondContact O-N 3.21Å; K155-Y158 PolarHBondContact O-N 3.34Å; K155-H159 WeakPolarHBondContact O-CB 3.38Å; K155-H159 PolarHBondContact O-CD2 2.99Å; K155-H159 VanDerWaalsContact O-CG 3.31Å; K155-H159 PolarHBondContact O-N 3.12Å; K155-Y207 HydrophobicContact CB-CD2 4.09Å; K155-Y207 HydrophobicContact CB-CE2 3.62Å; K155-Y207 HydrophobicContact CG-CE1 4.45Å; K155-Y207 HydrophobicContact CG-CE2 4.26Å
156	K	98.3	Very high	97.7	Very high	146 Å²	146	77.7 Å²	77.7	64%	0.635	38%	0.376	S	S	*	.	H	α-helix	trans	-60.1	-42.2	176.7	-75.2	172.4	-176.8	172.9	0	111.7	E152 T153 M154 H159 A160	E152-K156 WeakPolarHBondContact O-CG 3.34Å; E152-K156 PolarHBondContact O-N 3.49Å; T153-K156 PolarHBondContact O-N 3.26Å; M154-K156 PolarHBondContact O-N 3.05Å; K156-H159 PolarHBondContact O-N 3.31Å; K156-A160 WeakPolarHBondContact O-CB 3.34Å; K156-A160 PolarHBondContact O-N 3.32Å
157	S	98.1	Very high	97.7	Very high	54 Å²	54	74.5 Å²	74.5	38%	0.378	37%	0.365	S	S	.	.	H	α-helix	trans	-64.2	-44.8	178.6	-57.1	0	0	0	0	112	T153 M154 K155 A160 A161	T153-S157 PolarHBondContact O-N 3.19Å; T153-S157 PolarHBondContact O-OG 3.47Å; M154-S157 WeakPolarHBondContact O-CB 3.28Å; M154-S157 PolarHBondContact O-N 2.56Å; K155-S157 VanDerWaalsContact C-N 3.32Å; K155-S157 PolarHBondContact O-N 3.21Å; S157-A160 PolarHBondContact O-N 3.13Å; S157-A161 PolarHBondContact O-N 3.4Å
158	Y	98.4	Very high	97.5	Very high	59 Å²	59	73.5 Å²	73.5	23%	0.231	36%	0.361	C	S	.	.	H	α-helix	trans	-62.1	-48	174.9	170.8	-114.3	0	0	0	111.9	M154 K155 A160 A161 C162 V200 K204 Y207	M154-Y158 PolarHBondContact O-N 2.67Å; K155-Y158 PolarHBondContact O-N 3.34Å; Y158-A160 VanDerWaalsContact C-N 3.29Å; Y158-A160 PolarHBondContact O-N 3.26Å; Y158-A161 PolarHBondContact O-N 2.9Å; Y158-C162 WeakPolarHBondContact CE2-SG 3.45Å; Y158-C162 PolarHBondContact O-N 2.9Å; Y158-C162 PolarHBondContact O-SG 2.86Å; Y158-C162 VanDerWaalsContact O-SG 3.33Å; Y158-V200 HydrophobicContact CE2-CG1 3.94Å; Y158-K204 HydrophobicContact CD2-CB 3.83Å; Y158-K204 HydrophobicContact CE2-CB 3.68Å; Y158-K204 HydrophobicContact CE2-CG 4.12Å; Y158-Y207 HydrophobicContact CD1-CD1 4.13Å
159	H	98.2	Very high	97.3	Very high	99 Å²	99	73.3 Å²	73.3	46%	0.458	37%	0.365	S	S	.	.	H	α-helix	trans	-60.5	-37.9	177.1	-71.8	-171.9	0	0	0	112.6	K155 K156 K163	K155-H159 WeakPolarHBondContact O-CB 3.38Å; K155-H159 PolarHBondContact O-CD2 2.99Å; K155-H159 VanDerWaalsContact O-CG 3.31Å; K155-H159 PolarHBondContact O-N 3.12Å; K156-H159 PolarHBondContact O-N 3.31Å; H159-K163 WeakPolarHBondContact O-CB 3.16Å; H159-K163 PolarHBondContact O-N 3.1Å
160	A	97.9	Very high	97.2	Very high	60 Å²	60	69.2 Å²	69.2	50%	0.496	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-43.4	175.4	0	0	0	0	0	111.9	K156 S157 Y158 K163 E164	K156-A160 WeakPolarHBondContact O-CB 3.34Å; K156-A160 PolarHBondContact O-N 3.32Å; S157-A160 PolarHBondContact O-N 3.13Å; Y158-A160 VanDerWaalsContact C-N 3.29Å; Y158-A160 PolarHBondContact O-N 3.26Å; A160-K163 PolarHBondContact O-N 3.47Å; A160-E164 PolarHBondContact O-N 3.21Å
161	A	97.8	Very high	96.8	Very high	15 Å²	15	72.1 Å²	72.1	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-45.6	175.5	0	0	0	0	0	111.6	S157 Y158 K163 E164 E165 V200 T203	S157-A161 PolarHBondContact O-N 3.4Å; Y158-A161 PolarHBondContact O-N 2.9Å; A161-K163 VanDerWaalsContact C-N 3.27Å; A161-K163 PolarHBondContact O-N 3.48Å; A161-E164 PolarHBondContact O-N 3.32Å; A161-E165 WeakPolarHBondContact O-CB 3.37Å; A161-E165 PolarHBondContact O-N 3.27Å; A161-V200 VanDerWaalsContact C-CG2 3.46Å; A161-V200 HydrophobicContact CB-CG2 3.85Å; A161-V200 WeakPolarHBondContact O-CG2 3.38Å; A161-T203 HydrophobicContact CB-CG2 4.31Å; A161-T203 WeakPolarHBondContact CB-OG1 3.31Å
162	C	97.7	Very high	96.5	Very high	23 Å²	23	72.7 Å²	72.7	16%	0.155	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-36.5	175.9	-69.1	0	0	0	0	112.4	Y158 K166	Y158-C162 WeakPolarHBondContact CE2-SG 3.45Å; Y158-C162 PolarHBondContact O-N 2.9Å; Y158-C162 PolarHBondContact O-SG 2.86Å; Y158-C162 VanDerWaalsContact O-SG 3.33Å; C162-K166 WeakPolarHBondContact O-CG 3.49Å; C162-K166 PolarHBondContact O-N 3.1Å
163	K	97.8	Very high	96.2	Very high	147 Å²	147	71.7 Å²	71.7	64%	0.639	37%	0.365	S	S	*	.	H	α-helix	trans	-68.9	-44.7	176.8	-172.1	179.7	178.6	-178.8	0	111.5	H159 A160 A161 K166 L167	H159-K163 WeakPolarHBondContact O-CB 3.16Å; H159-K163 PolarHBondContact O-N 3.1Å; A160-K163 PolarHBondContact O-N 3.47Å; A161-K163 VanDerWaalsContact C-N 3.27Å; A161-K163 PolarHBondContact O-N 3.48Å; K163-K166 PolarHBondContact O-N 2.68Å; K163-L167 HydrophobicContact CG-CD1 4.44Å; K163-L167 WeakPolarHBondContact O-CG 3.47Å; K163-L167 PolarHBondContact O-N 2.89Å; K163-L167 VanDerWaalsContact O-N 3.08Å
164	E	96.9	Very high	95.7	Very high	75 Å²	75	72.6 Å²	72.6	35%	0.35	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-38	178.1	-175.3	63.4	-159.5	0	0	111.8	A160 A161 L167 A168 K192	A160-E164 PolarHBondContact O-N 3.21Å; A161-E164 PolarHBondContact O-N 3.32Å; E164-L167 PolarHBondContact O-N 2.92Å; E164-A168 WeakPolarHBondContact O-CB 3.28Å; E164-A168 PolarHBondContact O-N 3.23Å; E164-K192 IonicContact OE1-NZ 2.99Å; E164-K192 PolarHBondContact OE1-NZ 3.03Å
165	E	96.9	Very high	95.1	Very high	48 Å²	48	70.6 Å²	70.6	22%	0.224	36%	0.36	C	S	.	.	H	α-helix	trans	-58.5	-49.5	173.6	-172.2	-146.1	168.4	0	0	111.4	A161 L167 A168 A169 C196 Q197 V200	A161-E165 WeakPolarHBondContact O-CB 3.37Å; A161-E165 PolarHBondContact O-N 3.27Å; E165-L167 VanDerWaalsContact C-N 3.29Å; E165-L167 PolarHBondContact O-N 3.23Å; E165-A168 PolarHBondContact O-N 2.54Å; E165-A169 WeakPolarHBondContact O-CB 3.26Å; E165-A169 PolarHBondContact O-N 3.07Å; E165-C196 HydrophobicContact CB-CB 3.97Å; E165-C196 HydrophobicContact CG-CB 4.17Å; E165-Q197 HydrophobicContact CG-CG 3.98Å; E165-Q197 WeakPolarHBondContact OE1-CG 3.34Å; E165-V200 HydrophobicContact CB-CG2 3.87Å; E165-V200 HydrophobicContact CG-CG2 4.36Å
166	K	96.6	Very high	94.4	Very high	154 Å²	154	70.8 Å²	70.8	67%	0.67	36%	0.36	S	S	*	.	H	α-helix	trans	-58.4	-40.6	175.9	-74.4	177.4	-178.7	-177.9	0	112.3	C162 K163 S170	C162-K166 WeakPolarHBondContact O-CG 3.49Å; C162-K166 PolarHBondContact O-N 3.1Å; K163-K166 PolarHBondContact O-N 2.68Å; K166-S170 WeakPolarHBondContact O-CB 3.25Å; K166-S170 PolarHBondContact O-N 3.33Å
167	L	96	Very high	93.6	Very high	77 Å²	77	70.5 Å²	70.5	40%	0.403	37%	0.365	S	S	.	.	H	α-helix	trans	-67.3	-40.9	176.6	-71.4	171.3	0	0	0	112.1	K163 E164 E165 R171	K163-L167 HydrophobicContact CG-CD1 4.44Å; K163-L167 WeakPolarHBondContact O-CG 3.47Å; K163-L167 PolarHBondContact O-N 2.89Å; K163-L167 VanDerWaalsContact O-N 3.08Å; E164-L167 PolarHBondContact O-N 2.92Å; E165-L167 VanDerWaalsContact C-N 3.29Å; E165-L167 PolarHBondContact O-N 3.23Å; L167-R171 WeakPolarHBondContact O-CB 3.39Å; L167-R171 VanDerWaalsContact O-CG 3.3Å; L167-R171 WeakPolarHBondContact O-CG 3.28Å; L167-R171 PolarHBondContact O-N 2.85Å
168	A	94.4	Very high	92.7	Very high	4 Å²	4	74.3 Å²	74.3	3%	0.033	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-45.5	176.5	0	0	0	0	0	111.4	E164 E165 S170 R171 E172 K192 V193	E164-A168 WeakPolarHBondContact O-CB 3.28Å; E164-A168 PolarHBondContact O-N 3.23Å; E165-A168 PolarHBondContact O-N 2.54Å; A168-S170 PolarHBondContact O-N 3.38Å; A168-R171 PolarHBondContact O-N 2.72Å; A168-E172 PolarHBondContact O-N 2.8Å; A168-K192 HydrophobicContact CB-CG 4.45Å; A168-V193 HydrophobicContact CB-CG2 4Å
169	A	94.1	Very high	90.8	Very high	32 Å²	32	77.9 Å²	77.9	26%	0.264	41%	0.41	S	S	.	.	H	α-helix	trans	-63.9	-40.3	178.3	0	0	0	0	0	112.1	E165 E172 T173	E165-A169 WeakPolarHBondContact O-CB 3.26Å; E165-A169 PolarHBondContact O-N 3.07Å; A169-E172 PolarHBondContact O-N 3.46Å; A169-T173 WeakPolarHBondContact O-CB 3.37Å; A169-T173 PolarHBondContact O-N 2.71Å; A169-T173 PolarHBondContact O-OG1 2.74Å
170	S	94.1	Very high	89.2	Confident	61 Å²	61	80.9 Å²	80.9	43%	0.427	43%	0.43	S	S	.	.	H	α-helix	trans	-64.2	-42.4	174.2	178.2	0	0	0	0	112	K166 A168 T173 N174	K166-S170 WeakPolarHBondContact O-CB 3.25Å; K166-S170 PolarHBondContact O-N 3.33Å; A168-S170 PolarHBondContact O-N 3.38Å; S170-T173 PolarHBondContact O-N 3.17Å; S170-N174 WeakPolarHBondContact O-CB 3.44Å; S170-N174 PolarHBondContact O-N 3.26Å; S170-N174 PolarHBondContact O-OD1 2.93Å
171	R	90.9	Very high	87.7	Confident	136 Å²	136	80.5 Å²	80.5	51%	0.513	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-41.6	176.2	-76.3	172.6	175.3	159.2	-4.4	112.7	L167 A168 S175	L167-R171 WeakPolarHBondContact O-CB 3.39Å; L167-R171 VanDerWaalsContact O-CG 3.3Å; L167-R171 WeakPolarHBondContact O-CG 3.28Å; L167-R171 PolarHBondContact O-N 2.85Å; A168-R171 PolarHBondContact O-N 2.72Å; R171-S175 WeakPolarHBondContact O-CB 3.2Å; R171-S175 PolarHBondContact O-N 2.97Å
172	E	91.3	Very high	86.9	Confident	20 Å²	20	83.4 Å²	83.4	9%	0.093	43%	0.433	C	S	.	.	H	α-helix	trans	-62.4	-45.5	174.9	-169.1	-145.8	173.5	0	0	111.2	A168 A169 S175 K176 L189 V193	A168-E172 PolarHBondContact O-N 2.8Å; A169-E172 PolarHBondContact O-N 3.46Å; E172-S175 PolarHBondContact O-N 3.34Å; E172-K176 VanDerWaalsContact CD-NZ 3.33Å; E172-K176 WeakPolarHBondContact O-CG 3.46Å; E172-K176 PolarHBondContact O-N 3.48Å; E172-K176 VanDerWaalsContact O-N 3.13Å; E172-K176 WeakPolarHBondContact OE1-CE 3.35Å; E172-K176 IonicContact OE1-NZ 2.65Å; E172-K176 PolarHBondContact OE1-NZ 2.98Å; E172-K176 IonicContact OE2-NZ 3.81Å; E172-L189 HydrophobicContact CB-CB 4.19Å; E172-L189 HydrophobicContact CG-CB 4.05Å; E172-V193 HydrophobicContact CB-CG2 3.93Å; E172-V193 HydrophobicContact CG-CG2 4.43Å
173	T	89.5	Confident	86.1	Confident	72 Å²	72	87 Å²	87	44%	0.442	46%	0.456	S	S	.	.	H	α-helix	trans	-63.3	-44.6	178.7	-55.7	0	0	0	0	111.7	A169 S170 K176 L177	A169-T173 WeakPolarHBondContact O-CB 3.37Å; A169-T173 PolarHBondContact O-N 2.71Å; A169-T173 PolarHBondContact O-OG1 2.74Å; S170-T173 PolarHBondContact O-N 3.17Å; T173-K176 WeakPolarHBondContact O-CB 3.38Å; T173-K176 PolarHBondContact O-N 2.99Å; T173-L177 PolarHBondContact O-N 3.42Å
174	N	89.4	Confident	85.4	Confident	89 Å²	89	85.1 Å²	85.1	48%	0.476	45%	0.453	S	S	.	.	H	α-helix	trans	-65.6	-40.5	178.6	-70	-8.1	0	0	0	111.9	S170 K176 L177	S170-N174 WeakPolarHBondContact O-CB 3.44Å; S170-N174 PolarHBondContact O-N 3.26Å; S170-N174 PolarHBondContact O-OD1 2.93Å; N174-K176 VanDerWaalsContact C-N 3.3Å; N174-K176 PolarHBondContact O-N 3.43Å; N174-L177 WeakPolarHBondContact O-CB 2.8Å; N174-L177 PolarHBondContact O-N 2.9Å; N174-L177 VanDerWaalsContact O-N 3.12Å
175	S	85.3	Confident	84.9	Confident	19 Å²	19	84.5 Å²	84.5	13%	0.133	45%	0.454	C	S	.	.	H	α-helix	trans	-59.1	-42.5	174.6	-177.6	0	0	0	0	111.1	R171 E172 L177 E178 N181 L189	R171-S175 WeakPolarHBondContact O-CB 3.2Å; R171-S175 PolarHBondContact O-N 2.97Å; E172-S175 PolarHBondContact O-N 3.34Å; S175-L177 PolarHBondContact O-N 2.94Å; S175-L177 VanDerWaalsContact O-N 3.11Å; S175-E178 PolarHBondContact O-N 3.23Å; S175-N181 PolarHBondContact O-ND2 3.17Å; S175-N181 PolarHBondContact O-OD1 3.42Å; S175-N181 PolarHBondContact OG-OD1 3.21Å; S175-L189 VanDerWaalsContact CB-CD1 3.41Å; S175-L189 WeakPolarHBondContact OG-CD1 3.39Å
176	K	82.4	Confident	84.3	Confident	96 Å²	96	85.1 Å²	85.1	42%	0.417	46%	0.457	S	S	.	.	H	α-helix	trans	-58.9	-24.9	177.5	-72.9	173.8	-175.4	168.7	0	114	E172 T173 N174 N181	E172-K176 VanDerWaalsContact CD-NZ 3.33Å; E172-K176 WeakPolarHBondContact O-CG 3.46Å; E172-K176 PolarHBondContact O-N 3.48Å; E172-K176 VanDerWaalsContact O-N 3.13Å; E172-K176 WeakPolarHBondContact OE1-CE 3.35Å; E172-K176 IonicContact OE1-NZ 2.65Å; E172-K176 PolarHBondContact OE1-NZ 2.98Å; E172-K176 IonicContact OE2-NZ 3.81Å; T173-K176 WeakPolarHBondContact O-CB 3.38Å; T173-K176 PolarHBondContact O-N 2.99Å; N174-K176 VanDerWaalsContact C-N 3.3Å; N174-K176 PolarHBondContact O-N 3.43Å; K176-N181 PolarHBondContact O-ND2 3.45Å
177	L	81.6	Confident	83.9	Confident	140 Å²	140	84 Å²	84	73%	0.733	45%	0.452	S	S	*	.	H	α-helix	trans	-84.9	-13.1	179.5	-65	168.3	0	0	0	113.2	T173 N174 S175	T173-L177 PolarHBondContact O-N 3.42Å; N174-L177 WeakPolarHBondContact O-CB 2.8Å; N174-L177 PolarHBondContact O-N 2.9Å; N174-L177 VanDerWaalsContact O-N 3.12Å; S175-L177 PolarHBondContact O-N 2.94Å; S175-L177 VanDerWaalsContact O-N 3.11Å
178	E	78.8	Confident	83.7	Confident	135 Å²	135	87.2 Å²	87.2	63%	0.631	46%	0.463	S	S	*	.	S	Bend	trans	-81.6	139.1	179.1	-66.3	-168.7	176.4	0	0	112.6	S175 N180 N181	S175-E178 PolarHBondContact O-N 3.23Å; E178-N180 PolarHBondContact O-N 3.09Å; E178-N180 VanDerWaalsContact O-N 3.17Å; E178-N181 PolarHBondContact O-ND2 3.2Å
179	S	58.5	Low	83.5	Confident	133 Å²	133	89.1 Å²	89.1	93%	0.93	47%	0.473	S	S	*	.	S	Bend	trans	-76.3	0.2	-170.1	-158.6	0	0	0	0	115.2
180	N	65.3	Low	83.4	Confident	162 Å²	162	92.8 Å²	92.8	87%	0.866	48%	0.484	S	S	*	.	S	Bend	trans	-128.9	52	-174.7	-152.9	17.1	0	0	0	111.9	E178 N182	E178-N180 PolarHBondContact O-N 3.09Å; E178-N180 VanDerWaalsContact O-N 3.17Å; N180-N182 PolarHBondContact O-N 3.03Å
181	N	66.9	Low	83.4	Confident	52 Å²	52	94.5 Å²	94.5	28%	0.278	49%	0.485	S	S	.	.			trans	-81.2	116.8	-172.3	-90.4	-35.7	0	0	0	113.4	S175 K176 E178	S175-N181 PolarHBondContact O-ND2 3.17Å; S175-N181 PolarHBondContact O-OD1 3.42Å; S175-N181 PolarHBondContact OG-OD1 3.21Å; K176-N181 PolarHBondContact O-ND2 3.45Å; E178-N181 PolarHBondContact O-ND2 3.2Å
182	N	79.9	Confident	83.6	Confident	77 Å²	77	92 Å²	92	41%	0.412	48%	0.478	S	S	.	.			trans	-80.6	124	168.9	176.4	-9.8	0	0	0	109.9	N180 D184 T185 Q186	N180-N182 PolarHBondContact O-N 3.03Å; N182-D184 PolarHBondContact O-N 2.98Å; N182-D184 VanDerWaalsContact O-N 3.15Å; N182-D184 PolarHBondContact OD1-N 3.21Å; N182-T185 HydrophobicContact CB-CG2 4.07Å; N182-T185 WeakPolarHBondContact CB-OG1 3.24Å; N182-T185 PolarHBondContact O-N 3.25Å; N182-T185 PolarHBondContact O-OG1 3.4Å; N182-Q186 PolarHBondContact O-N 3Å; N182-Q186 VanDerWaalsContact O-N 3.13Å
183	P	82.3	Confident	83.8	Confident	98 Å²	98	91.6 Å²	91.6	64%	0.636	48%	0.477	S	S	*	.	H	α-helix	trans	-51.8	-37.2	178.7	-26	32.9	0	0	0	114.3	Q186 K187	P183-Q186 PolarHBondContact O-N 2.93Å; P183-K187 WeakPolarHBondContact O-CB 3.48Å; P183-K187 PolarHBondContact O-N 3.18Å
184	D	83.3	Confident	84.1	Confident	107 Å²	107	93.5 Å²	93.5	57%	0.572	48%	0.481	S	S	*	.	H	α-helix	trans	-69.3	-35	179.8	-69.3	-40.4	0	0	0	112.1	N182 K188	N182-D184 PolarHBondContact O-N 2.98Å; N182-D184 VanDerWaalsContact O-N 3.15Å; N182-D184 PolarHBondContact OD1-N 3.21Å; D184-K188 WeakPolarHBondContact O-CG 3.42Å; D184-K188 PolarHBondContact O-N 2.86Å; D184-K188 VanDerWaalsContact O-N 3.14Å
185	T	84.6	Confident	84.4	Confident	63 Å²	63	96.6 Å²	96.6	39%	0.387	49%	0.49	S	S	.	.	H	α-helix	trans	-71	-38.4	176.5	56.4	0	0	0	0	111.6	N182 K188 L189	N182-T185 HydrophobicContact CB-CG2 4.07Å; N182-T185 WeakPolarHBondContact CB-OG1 3.24Å; N182-T185 PolarHBondContact O-N 3.25Å; N182-T185 PolarHBondContact O-OG1 3.4Å; T185-K188 PolarHBondContact O-N 3.06Å; T185-L189 WeakPolarHBondContact O-CG 3.33Å; T185-L189 PolarHBondContact O-N 3.32Å
186	Q	84.8	Confident	85	Confident	61 Å²	61	96.5 Å²	96.5	29%	0.285	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-42.6	177.6	-169.5	167	-12.3	0	0	111.4	N182 P183 K188 L189 Q190	N182-Q186 PolarHBondContact O-N 3Å; N182-Q186 VanDerWaalsContact O-N 3.13Å; P183-Q186 PolarHBondContact O-N 2.93Å; Q186-K188 PolarHBondContact O-N 2.79Å; Q186-L189 PolarHBondContact O-N 3.33Å; Q186-Q190 PolarHBondContact O-N 3.2Å
187	K	89.1	Confident	85.7	Confident	129 Å²	129	96.4 Å²	96.4	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-59.7	-44.5	174	-170.8	-177.8	178.2	-170.7	0	112	P183 L189 Q190 E191	P183-K187 WeakPolarHBondContact O-CB 3.48Å; P183-K187 PolarHBondContact O-N 3.18Å; K187-L189 PolarHBondContact O-N 2.82Å; K187-Q190 PolarHBondContact O-N 3Å; K187-E191 VanDerWaalsContact CE-OE1 3.25Å; K187-E191 WeakPolarHBondContact CE-OE1 3.42Å; K187-E191 WeakPolarHBondContact O-CG 3.46Å; K187-E191 PolarHBondContact O-N 3.35Å
188	K	90.9	Very high	86.4	Confident	145 Å²	145	95.6 Å²	95.6	63%	0.63	48%	0.483	S	S	*	.	H	α-helix	trans	-61.9	-39.4	176.7	-79.2	178.1	179.6	177.6	0	113.3	D184 T185 Q186 Q190 K192	D184-K188 WeakPolarHBondContact O-CG 3.42Å; D184-K188 PolarHBondContact O-N 2.86Å; D184-K188 VanDerWaalsContact O-N 3.14Å; T185-K188 PolarHBondContact O-N 3.06Å; Q186-K188 PolarHBondContact O-N 2.79Å; K188-Q190 VanDerWaalsContact C-N 3.35Å; K188-K192 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 3.4Å
189	L	90.8	Very high	87.3	Confident	45 Å²	45	92.8 Å²	92.8	24%	0.236	47%	0.47	C	S	.	.	H	α-helix	trans	-66.3	-40.7	176.3	-72.8	171.7	0	0	0	111.1	E172 S175 T185 Q186 K187 K192 V193	E172-L189 HydrophobicContact CB-CB 4.19Å; E172-L189 HydrophobicContact CG-CB 4.05Å; S175-L189 VanDerWaalsContact CB-CD1 3.41Å; S175-L189 WeakPolarHBondContact OG-CD1 3.39Å; T185-L189 WeakPolarHBondContact O-CG 3.33Å; T185-L189 PolarHBondContact O-N 3.32Å; Q186-L189 PolarHBondContact O-N 3.33Å; K187-L189 PolarHBondContact O-N 2.82Å; L189-K192 WeakPolarHBondContact O-CB 3.41Å; L189-K192 PolarHBondContact O-N 3.27Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 3.13Å
190	Q	91.6	Very high	89.2	Confident	108 Å²	108	87.3 Å²	87.3	51%	0.505	43%	0.431	S	S	.	.	H	α-helix	trans	-65.7	-44.3	177	-163.7	165.3	6.5	0	0	112.3	Q186 K187 K188 K192 V193 E194	Q186-Q190 PolarHBondContact O-N 3.2Å; K187-Q190 PolarHBondContact O-N 3Å; K188-Q190 VanDerWaalsContact C-N 3.35Å; Q190-K192 VanDerWaalsContact C-N 3.25Å; Q190-K192 PolarHBondContact O-N 2.86Å; Q190-V193 PolarHBondContact O-N 3.21Å; Q190-V193 VanDerWaalsContact O-N 3.15Å; Q190-E194 PolarHBondContact O-N 2.94Å
191	E	94.3	Very high	90.8	Very high	98 Å²	98	83.8 Å²	83.8	46%	0.458	41%	0.409	S	S	.	.	H	α-helix	trans	-59	-36.8	172.1	-73.5	172.2	-176.4	0	0	111.8	K187 K195	K187-E191 VanDerWaalsContact CE-OE1 3.25Å; K187-E191 WeakPolarHBondContact CE-OE1 3.42Å; K187-E191 WeakPolarHBondContact O-CG 3.46Å; K187-E191 PolarHBondContact O-N 3.35Å; E191-K195 WeakPolarHBondContact O-CB 3.5Å; E191-K195 PolarHBondContact O-N 2.97Å
192	K	94.7	Very high	92.2	Very high	84 Å²	84	85.2 Å²	85.2	37%	0.365	41%	0.412	S	S	.	.	H	α-helix	trans	-66.8	-41.7	175.7	-174.8	173.7	176	179.1	0	111.9	E164 A168 K188 L189 Q190 K195 C196	E164-K192 IonicContact OE1-NZ 2.99Å; E164-K192 PolarHBondContact OE1-NZ 3.03Å; A168-K192 HydrophobicContact CB-CG 4.45Å; K188-K192 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 3.4Å; L189-K192 WeakPolarHBondContact O-CB 3.41Å; L189-K192 PolarHBondContact O-N 3.27Å; Q190-K192 VanDerWaalsContact C-N 3.25Å; Q190-K192 PolarHBondContact O-N 2.86Å; K192-K195 PolarHBondContact O-N 3.48Å; K192-C196 PolarHBondContact O-N 3.4Å; K192-C196 PolarHBondContact O-SG 3.35Å
193	V	95.4	Very high	93.1	Very high	11 Å²	11	82.1 Å²	82.1	7%	0.067	40%	0.396	C	S	.	.	H	α-helix	trans	-61.3	-48.3	175.6	172.1	0	0	0	0	110.6	A168 E172 L189 Q190 K195 C196 Q197	A168-V193 HydrophobicContact CB-CG2 4Å; E172-V193 HydrophobicContact CB-CG2 3.93Å; E172-V193 HydrophobicContact CG-CG2 4.43Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 3.13Å; Q190-V193 PolarHBondContact O-N 3.21Å; Q190-V193 VanDerWaalsContact O-N 3.15Å; V193-K195 VanDerWaalsContact C-N 3.31Å; V193-K195 PolarHBondContact O-N 3.3Å; V193-C196 WeakPolarHBondContact O-CB 3.49Å; V193-C196 PolarHBondContact O-N 3.44Å; V193-C196 VanDerWaalsContact O-N 3.09Å; V193-Q197 HydrophobicContact CG1-CG 4.5Å; V193-Q197 WeakPolarHBondContact O-CG 3.48Å; V193-Q197 PolarHBondContact O-N 2.93Å
194	E	96.1	Very high	93.9	Very high	111 Å²	111	80.9 Å²	80.9	52%	0.519	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-41.4	179.2	-171	174.9	-171.5	0	0	111.7	Q190 C196 Q197 Q198	Q190-E194 PolarHBondContact O-N 2.94Å; E194-C196 PolarHBondContact O-N 3.38Å; E194-Q197 WeakPolarHBondContact O-CB 3.41Å; E194-Q197 PolarHBondContact O-N 2.76Å; E194-Q198 WeakPolarHBondContact O-CG 3.39Å; E194-Q198 PolarHBondContact O-N 3.14Å
195	K	96.6	Very high	94.6	Very high	155 Å²	155	81 Å²	81	67%	0.674	38%	0.378	S	S	*	.	H	α-helix	trans	-62.4	-41.7	173.9	-174.2	178.1	-179.9	178.7	0	112.5	E191 K192 V193 Q198 E199	E191-K195 WeakPolarHBondContact O-CB 3.5Å; E191-K195 PolarHBondContact O-N 2.97Å; K192-K195 PolarHBondContact O-N 3.48Å; V193-K195 VanDerWaalsContact C-N 3.31Å; V193-K195 PolarHBondContact O-N 3.3Å; K195-Q198 PolarHBondContact O-N 3.04Å; K195-E199 PolarHBondContact O-N 3.37Å; K195-E199 VanDerWaalsContact O-N 3.08Å
196	C	96.5	Very high	95.2	Very high	16 Å²	16	84.5 Å²	84.5	11%	0.108	38%	0.384	C	S	.	.	H	α-helix	trans	-64.3	-40	175.9	-72.2	0	0	0	0	111.7	E165 K192 V193 E194 E199 V200	E165-C196 HydrophobicContact CB-CB 3.97Å; E165-C196 HydrophobicContact CG-CB 4.17Å; K192-C196 PolarHBondContact O-N 3.4Å; K192-C196 PolarHBondContact O-SG 3.35Å; V193-C196 WeakPolarHBondContact O-CB 3.49Å; V193-C196 PolarHBondContact O-N 3.44Å; V193-C196 VanDerWaalsContact O-N 3.09Å; E194-C196 PolarHBondContact O-N 3.38Å; C196-E199 PolarHBondContact O-N 3.12Å; C196-V200 WeakPolarHBondContact O-CG2 3.42Å; C196-V200 PolarHBondContact O-N 3.01Å
197	Q	97.2	Very high	95.9	Very high	94 Å²	94	83.8 Å²	83.8	44%	0.439	38%	0.379	S	S	.	.	H	α-helix	trans	-61.7	-44	175.4	-73.7	175.2	-19.4	0	0	112.2	E165 V193 E194 E199 V200 Q201	E165-Q197 HydrophobicContact CG-CG 3.98Å; E165-Q197 WeakPolarHBondContact OE1-CG 3.34Å; V193-Q197 HydrophobicContact CG1-CG 4.5Å; V193-Q197 WeakPolarHBondContact O-CG 3.48Å; V193-Q197 PolarHBondContact O-N 2.93Å; E194-Q197 WeakPolarHBondContact O-CB 3.41Å; E194-Q197 PolarHBondContact O-N 2.76Å; Q197-E199 VanDerWaalsContact C-N 3.32Å; Q197-E199 PolarHBondContact O-N 2.86Å; Q197-V200 PolarHBondContact O-N 2.99Å; Q197-Q201 PolarHBondContact O-N 2.94Å
198	Q	97.2	Very high	96.3	Very high	124 Å²	124	81.5 Å²	81.5	58%	0.579	37%	0.371	S	S	*	.	H	α-helix	trans	-61.4	-39.9	174.7	-70.1	175.9	9.9	0	0	112	E194 K195 Q201 K202	E194-Q198 WeakPolarHBondContact O-CG 3.39Å; E194-Q198 PolarHBondContact O-N 3.14Å; K195-Q198 PolarHBondContact O-N 3.04Å; Q198-Q201 PolarHBondContact O-N 3.12Å; Q198-K202 WeakPolarHBondContact O-CB 3.34Å; Q198-K202 PolarHBondContact O-N 2.74Å
199	E	97.6	Very high	96.6	Very high	76 Å²	76	80.7 Å²	80.7	36%	0.355	37%	0.367	S	S	.	.	H	α-helix	trans	-69.9	-34.9	177.4	-164.8	63	-157.9	0	0	112.2	K195 C196 Q197 K202 T203	K195-E199 PolarHBondContact O-N 3.37Å; K195-E199 VanDerWaalsContact O-N 3.08Å; C196-E199 PolarHBondContact O-N 3.12Å; Q197-E199 VanDerWaalsContact C-N 3.32Å; Q197-E199 PolarHBondContact O-N 2.86Å; E199-K202 PolarHBondContact O-N 3.43Å; E199-K202 IonicContact OE1-NZ 2.84Å; E199-K202 PolarHBondContact OE1-NZ 2.7Å; E199-K202 IonicContact OE2-NZ 3.79Å; E199-K202 PolarHBondContact OE2-NZ 3.11Å; E199-T203 HydrophobicContact CG-CG2 4.39Å; E199-T203 WeakPolarHBondContact O-CB 3.41Å; E199-T203 WeakPolarHBondContact O-CG2 3.1Å; E199-T203 PolarHBondContact O-N 3.32Å; E199-T203 PolarHBondContact O-OG1 3.08Å
200	V	98.3	Very high	97	Very high	18 Å²	18	78.9 Å²	78.9	11%	0.109	36%	0.358	C	S	.	.	H	α-helix	trans	-59.6	-49	170.9	168.6	0	0	0	0	110.7	Y158 A161 E165 C196 Q197 K202 T203 K204	Y158-V200 HydrophobicContact CE2-CG1 3.94Å; A161-V200 VanDerWaalsContact C-CG2 3.46Å; A161-V200 HydrophobicContact CB-CG2 3.85Å; A161-V200 WeakPolarHBondContact O-CG2 3.38Å; E165-V200 HydrophobicContact CB-CG2 3.87Å; E165-V200 HydrophobicContact CG-CG2 4.36Å; C196-V200 WeakPolarHBondContact O-CG2 3.42Å; C196-V200 PolarHBondContact O-N 3.01Å; Q197-V200 PolarHBondContact O-N 2.99Å; V200-K202 PolarHBondContact O-N 2.66Å; V200-T203 PolarHBondContact O-N 2.9Å; V200-T203 PolarHBondContact O-OG1 3.47Å; V200-T203 VanDerWaalsContact O-OG1 3.05Å; V200-K204 VanDerWaalsContact O-CB 3.24Å; V200-K204 WeakPolarHBondContact O-CB 3.48Å; V200-K204 PolarHBondContact O-N 2.84Å
201	Q	98	Very high	97.3	Very high	87 Å²	87	76.8 Å²	76.8	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-45.3	179.2	-177.5	56	32.8	0	0	111.7	Q197 Q198 T203 K204 E205	Q197-Q201 PolarHBondContact O-N 2.94Å; Q198-Q201 PolarHBondContact O-N 3.12Å; Q201-T203 PolarHBondContact O-N 3.05Å; Q201-K204 WeakPolarHBondContact O-CB 3.49Å; Q201-K204 PolarHBondContact O-N 3.31Å; Q201-E205 PolarHBondContact NE2-OE1 3.36Å; Q201-E205 WeakPolarHBondContact O-CG 3.47Å; Q201-E205 PolarHBondContact O-N 2.96Å
202	K	98.1	Very high	97.5	Very high	82 Å²	82	77 Å²	77	36%	0.357	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-40.8	177.8	174.7	176.6	152.5	-131.6	0	113.2	Q198 E199 V200 R206	Q198-K202 WeakPolarHBondContact O-CB 3.34Å; Q198-K202 PolarHBondContact O-N 2.74Å; E199-K202 PolarHBondContact O-N 3.43Å; E199-K202 IonicContact OE1-NZ 2.84Å; E199-K202 PolarHBondContact OE1-NZ 2.7Å; E199-K202 IonicContact OE2-NZ 3.79Å; E199-K202 PolarHBondContact OE2-NZ 3.11Å; V200-K202 PolarHBondContact O-N 2.66Å; K202-R206 WeakPolarHBondContact O-CG 3.37Å; K202-R206 PolarHBondContact O-N 3.38Å
203	T	98.1	Very high	97.6	Very high	12 Å²	12	76.3 Å²	76.3	7%	0.074	35%	0.349	C	S	.	.	H	α-helix	trans	-73.1	-32.1	177	51.3	0	0	0	0	111.9	A161 E199 V200 Q201 R206 Y207	A161-T203 HydrophobicContact CB-CG2 4.31Å; A161-T203 WeakPolarHBondContact CB-OG1 3.31Å; E199-T203 HydrophobicContact CG-CG2 4.39Å; E199-T203 WeakPolarHBondContact O-CB 3.41Å; E199-T203 WeakPolarHBondContact O-CG2 3.1Å; E199-T203 PolarHBondContact O-N 3.32Å; E199-T203 PolarHBondContact O-OG1 3.08Å; V200-T203 PolarHBondContact O-N 2.9Å; V200-T203 PolarHBondContact O-OG1 3.47Å; V200-T203 VanDerWaalsContact O-OG1 3.05Å; Q201-T203 PolarHBondContact O-N 3.05Å; T203-R206 PolarHBondContact O-N 3.15Å; T203-Y207 WeakPolarHBondContact O-CB 3.46Å; T203-Y207 PolarHBondContact O-N 3.37Å
204	K	98.3	Very high	97.7	Very high	73 Å²	73	76.6 Å²	76.6	32%	0.317	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-52.4	171.6	-176.6	-178.2	168.6	-175.6	0	111.7	Y158 V200 Q201 R206 Y207 E208	Y158-K204 HydrophobicContact CD2-CB 3.83Å; Y158-K204 HydrophobicContact CE2-CB 3.68Å; Y158-K204 HydrophobicContact CE2-CG 4.12Å; V200-K204 VanDerWaalsContact O-CB 3.24Å; V200-K204 WeakPolarHBondContact O-CB 3.48Å; V200-K204 PolarHBondContact O-N 2.84Å; Q201-K204 WeakPolarHBondContact O-CB 3.49Å; Q201-K204 PolarHBondContact O-N 3.31Å; K204-R206 VanDerWaalsContact C-N 3.27Å; K204-R206 PolarHBondContact O-N 3.17Å; K204-Y207 WeakPolarHBondContact O-CA 3.28Å; K204-Y207 WeakPolarHBondContact O-CB 3.11Å; K204-Y207 PolarHBondContact O-N 2.9Å; K204-E208 WeakPolarHBondContact CE-OE1 3.3Å; K204-E208 HydrophobicContact CG-CG 4.38Å; K204-E208 IonicContact NZ-OE1 3.78Å; K204-E208 WeakPolarHBondContact O-CG 3.48Å; K204-E208 PolarHBondContact O-N 3.41Å
205	E	98.3	Very high	97.8	Very high	109 Å²	109	78.2 Å²	78.2	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-58.9	-39	178.8	-73.3	168.7	-165.3	0	0	112.2	Q201 K209	Q201-E205 PolarHBondContact NE2-OE1 3.36Å; Q201-E205 WeakPolarHBondContact O-CG 3.47Å; Q201-E205 PolarHBondContact O-N 2.96Å; E205-K209 VanDerWaalsContact O-CB 3.23Å; E205-K209 WeakPolarHBondContact O-CB 3.36Å; E205-K209 PolarHBondContact O-N 3.26Å
206	R	97.9	Very high	97.8	Very high	136 Å²	136	78 Å²	78	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-41.4	174.3	-72.1	175.3	179.3	-165.5	-2.9	112.2	M154 K202 T203 K204 S210	M154-R206 HydrophobicContact SD-CB 4.14Å; K202-R206 WeakPolarHBondContact O-CG 3.37Å; K202-R206 PolarHBondContact O-N 3.38Å; T203-R206 PolarHBondContact O-N 3.15Å; K204-R206 VanDerWaalsContact C-N 3.27Å; K204-R206 PolarHBondContact O-N 3.17Å; R206-S210 PolarHBondContact O-N 3.33Å; R206-S210 VanDerWaalsContact O-N 3.07Å; R206-S210 PolarHBondContact O-OG 2.95Å
207	Y	98.5	Very high	97.8	Very high	46 Å²	46	80.6 Å²	80.6	18%	0.18	37%	0.369	C	S	.	.	H	α-helix	trans	-65	-50.4	176.9	178.3	-138.9	0	0	0	111.6	V151 M154 K155 Y158 T203 K204 K209 S210 L211	V151-Y207 HydrophobicContact CG1-CD2 4.39Å; V151-Y207 HydrophobicContact CG1-CE2 3.73Å; M154-Y207 HydrophobicContact CB-CD2 4.09Å; K155-Y207 HydrophobicContact CB-CD2 4.09Å; K155-Y207 HydrophobicContact CB-CE2 3.62Å; K155-Y207 HydrophobicContact CG-CE1 4.45Å; K155-Y207 HydrophobicContact CG-CE2 4.26Å; Y158-Y207 HydrophobicContact CD1-CD1 4.13Å; T203-Y207 WeakPolarHBondContact O-CB 3.46Å; T203-Y207 PolarHBondContact O-N 3.37Å; K204-Y207 WeakPolarHBondContact O-CA 3.28Å; K204-Y207 WeakPolarHBondContact O-CB 3.11Å; K204-Y207 PolarHBondContact O-N 2.9Å; Y207-K209 PolarHBondContact O-N 3.47Å; Y207-S210 PolarHBondContact O-N 3.46Å; Y207-S210 VanDerWaalsContact O-N 3.16Å; Y207-S210 PolarHBondContact O-OG 3.03Å; Y207-L211 HydrophobicContact CD1-CD1 4.39Å; Y207-L211 HydrophobicContact CD2-CD1 4.19Å; Y207-L211 HydrophobicContact CD2-CG 4.19Å; Y207-L211 HydrophobicContact CE1-CD1 3.98Å; Y207-L211 HydrophobicContact CE2-CD1 3.74Å; Y207-L211 HydrophobicContact CE2-CD2 4.11Å; Y207-L211 HydrophobicContact CE2-CG 3.78Å; Y207-L211 HydrophobicContact CG-CD1 4.48Å; Y207-L211 PolarHBondContact O-N 3.42Å
208	E	98.4	Very high	97.9	Very high	82 Å²	82	78 Å²	78	38%	0.383	36%	0.36	S	S	.	.	H	α-helix	trans	-57	-47.2	175.9	-71.1	173.8	159.1	0	0	111.7	K204 S210 L211 E212	K204-E208 WeakPolarHBondContact CE-OE1 3.3Å; K204-E208 HydrophobicContact CG-CG 4.38Å; K204-E208 IonicContact NZ-OE1 3.78Å; K204-E208 WeakPolarHBondContact O-CG 3.48Å; K204-E208 PolarHBondContact O-N 3.41Å; E208-S210 VanDerWaalsContact C-N 3.33Å; E208-S210 PolarHBondContact O-N 3.04Å; E208-L211 WeakPolarHBondContact O-CB 3.39Å; E208-L211 PolarHBondContact O-N 3.12Å; E208-L211 VanDerWaalsContact O-N 3.1Å; E208-E212 PolarHBondContact O-N 3.5Å
209	K	97.8	Very high	97.9	Very high	128 Å²	128	76.2 Å²	76.2	56%	0.557	36%	0.359	S	S	*	.	H	α-helix	trans	-57.9	-43.8	175.6	-179.1	176.3	177.4	178.2	0	112.5	E205 Y207 L211 E212 E213	E205-K209 VanDerWaalsContact O-CB 3.23Å; E205-K209 WeakPolarHBondContact O-CB 3.36Å; E205-K209 PolarHBondContact O-N 3.26Å; Y207-K209 PolarHBondContact O-N 3.47Å; K209-L211 VanDerWaalsContact C-N 3.31Å; K209-L211 PolarHBondContact O-N 2.79Å; K209-E212 PolarHBondContact O-N 3.44Å; K209-E213 WeakPolarHBondContact CE-OE1 3.5Å; K209-E213 WeakPolarHBondContact O-CG 3.47Å; K209-E213 PolarHBondContact O-N 2.97Å; K209-E213 VanDerWaalsContact O-N 3.07Å
210	S	97.8	Very high	98	Very high	7 Å²	7	77.3 Å²	77.3	5%	0.049	36%	0.364	C	S	.	.	H	α-helix	trans	-65.6	-33.6	177.7	64.4	0	0	0	0	113.1	V151 R206 Y207 E208 L214	V151-S210 VanDerWaalsContact CG2-O 3.27Å; V151-S210 WeakPolarHBondContact CG2-O 3.42Å; R206-S210 PolarHBondContact O-N 3.33Å; R206-S210 VanDerWaalsContact O-N 3.07Å; R206-S210 PolarHBondContact O-OG 2.95Å; Y207-S210 PolarHBondContact O-N 3.46Å; Y207-S210 VanDerWaalsContact O-N 3.16Å; Y207-S210 PolarHBondContact O-OG 3.03Å; E208-S210 VanDerWaalsContact C-N 3.33Å; E208-S210 PolarHBondContact O-N 3.04Å; S210-L214 PolarHBondContact O-N 3.3Å; S210-L214 VanDerWaalsContact O-N 3.08Å
211	L	98.3	Very high	98	Very high	64 Å²	64	77 Å²	77	34%	0.335	36%	0.361	S	S	.	.	H	α-helix	trans	-66.7	-46.4	173.9	-76.5	169.5	0	0	0	111.2	V151 Y207 E208 K209 E213 L214 E215	V151-L211 HydrophobicContact CG1-CD2 3.5Å; V151-L211 HydrophobicContact CG1-CG 4.1Å; Y207-L211 HydrophobicContact CD1-CD1 4.39Å; Y207-L211 HydrophobicContact CD2-CD1 4.19Å; Y207-L211 HydrophobicContact CD2-CG 4.19Å; Y207-L211 HydrophobicContact CE1-CD1 3.98Å; Y207-L211 HydrophobicContact CE2-CD1 3.74Å; Y207-L211 HydrophobicContact CE2-CD2 4.11Å; Y207-L211 HydrophobicContact CE2-CG 3.78Å; Y207-L211 HydrophobicContact CG-CD1 4.48Å; Y207-L211 PolarHBondContact O-N 3.42Å; E208-L211 WeakPolarHBondContact O-CB 3.39Å; E208-L211 PolarHBondContact O-N 3.12Å; E208-L211 VanDerWaalsContact O-N 3.1Å; K209-L211 VanDerWaalsContact C-N 3.31Å; K209-L211 PolarHBondContact O-N 2.79Å; L211-E213 VanDerWaalsContact C-N 3.28Å; L211-E213 PolarHBondContact O-N 2.94Å; L211-L214 WeakPolarHBondContact O-CB 3.32Å; L211-L214 PolarHBondContact O-N 2.97Å; L211-L214 VanDerWaalsContact O-N 3.07Å; L211-E215 PolarHBondContact O-N 3.17Å
212	E	98	Very high	98	Very high	103 Å²	103	76.2 Å²	76.2	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-39.5	176.7	-71.2	178	-165.5	0	0	112.3	E208 K209 L214 E215 K216	E208-E212 PolarHBondContact O-N 3.5Å; K209-E212 PolarHBondContact O-N 3.44Å; E212-L214 VanDerWaalsContact C-N 3.35Å; E212-E215 PolarHBondContact O-N 3.38Å; E212-K216 WeakPolarHBondContact O-CD 3.38Å; E212-K216 VanDerWaalsContact O-CG 3.27Å; E212-K216 WeakPolarHBondContact O-CG 3.4Å; E212-K216 PolarHBondContact O-N 3.18Å
213	E	97.2	Very high	98	Very high	69 Å²	69	77.8 Å²	77.8	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-68.3	-33.4	176	-70.5	172.4	179.7	0	0	112.1	K147 K209 L211 L217	K147-E213 VanDerWaalsContact CE-CB 3.41Å; K147-E213 WeakPolarHBondContact CE-OE2 3.47Å; K147-E213 IonicContact NZ-OE2 2.76Å; K147-E213 PolarHBondContact NZ-OE2 3.19Å; K209-E213 WeakPolarHBondContact CE-OE1 3.5Å; K209-E213 WeakPolarHBondContact O-CG 3.47Å; K209-E213 PolarHBondContact O-N 2.97Å; K209-E213 VanDerWaalsContact O-N 3.07Å; L211-E213 VanDerWaalsContact C-N 3.28Å; L211-E213 PolarHBondContact O-N 2.94Å; E213-L217 WeakPolarHBondContact O-CG 3.47Å; E213-L217 PolarHBondContact O-N 3.39Å
214	L	97.7	Very high	98	Very high	17 Å²	17	79.5 Å²	79.5	9%	0.089	38%	0.376	C	S	.	.	H	α-helix	trans	-68.7	-44	173	-176.9	69	0	0	0	111.5	W144 K147 L148 V151 S210 L211 E212 K216 L217 T218	W144-L214 HydrophobicContact CD2-CD1 4.22Å; W144-L214 HydrophobicContact CG-CD1 4.1Å; K147-L214 HydrophobicContact CB-CD1 3.78Å; K147-L214 HydrophobicContact CG-CB 4.03Å; K147-L214 HydrophobicContact CG-CD1 3.89Å; L148-L214 HydrophobicContact CB-CD1 4.38Å; L148-L214 HydrophobicContact CD1-CD2 3.94Å; V151-L214 HydrophobicContact CG2-CB 4.07Å; V151-L214 HydrophobicContact CG2-CD2 4.08Å; S210-L214 PolarHBondContact O-N 3.3Å; S210-L214 VanDerWaalsContact O-N 3.08Å; L211-L214 WeakPolarHBondContact O-CB 3.32Å; L211-L214 PolarHBondContact O-N 2.97Å; L211-L214 VanDerWaalsContact O-N 3.07Å; E212-L214 VanDerWaalsContact C-N 3.35Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.27Å; L214-L217 PolarHBondContact O-N 3.3Å; L214-L217 VanDerWaalsContact O-N 3.09Å; L214-T218 PolarHBondContact O-N 3.1Å; L214-T218 VanDerWaalsContact O-N 3.12Å; L214-T218 PolarHBondContact O-OG1 3.22Å
215	E	97.8	Very high	98	Very high	144 Å²	144	76 Å²	76	67%	0.673	36%	0.361	S	S	*	.	H	α-helix	trans	-58.8	-43.9	177.5	-172.8	178.4	-176.3	0	0	110.9	L211 E212 L217 T218 P219	L211-E215 PolarHBondContact O-N 3.17Å; E212-E215 PolarHBondContact O-N 3.38Å; E215-L217 VanDerWaalsContact C-N 3.26Å; E215-L217 PolarHBondContact O-N 3.04Å; E215-T218 WeakPolarHBondContact O-CB 3.3Å; E215-T218 PolarHBondContact O-N 2.76Å; E215-T218 VanDerWaalsContact O-N 3.09Å; E215-P219 VanDerWaalsContact O-CD 3.25Å; E215-P219 WeakPolarHBondContact O-CD 3.45Å
216	K	97.8	Very high	98.1	Very high	150 Å²	150	75.6 Å²	75.6	65%	0.652	36%	0.359	S	S	*	.	H	α-helix	trans	-61.3	-29.5	175.4	-73.2	166.1	-173.8	161.5	0	114	E212 L214	E212-K216 WeakPolarHBondContact O-CD 3.38Å; E212-K216 VanDerWaalsContact O-CG 3.27Å; E212-K216 WeakPolarHBondContact O-CG 3.4Å; E212-K216 PolarHBondContact O-N 3.18Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 3.27Å
217	L	96.8	Very high	98.1	Very high	71 Å²	71	74.5 Å²	74.5	37%	0.372	36%	0.36	S	S	.	.	H	α-helix	trans	-83.2	-19.1	177.1	-70.3	174.5	0	0	0	113.2	K147 E213 L214 E215 Q220 Y221	K147-L217 HydrophobicContact CB-CD1 3.88Å; K147-L217 HydrophobicContact CG-CD1 3.97Å; E213-L217 WeakPolarHBondContact O-CG 3.47Å; E213-L217 PolarHBondContact O-N 3.39Å; L214-L217 PolarHBondContact O-N 3.3Å; L214-L217 VanDerWaalsContact O-N 3.09Å; E215-L217 VanDerWaalsContact C-N 3.26Å; E215-L217 PolarHBondContact O-N 3.04Å; L217-Q220 PolarHBondContact O-N 2.99Å; L217-Y221 WeakPolarHBondContact O-CB 3.49Å; L217-Y221 PolarHBondContact O-N 2.91Å
218	T	97.8	Very high	98.1	Very high	40 Å²	40	73.1 Å²	73.1	25%	0.245	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-42	-170.4	-61.1	0	0	0	0	113.2	W144 L214 E215 Q220 Y221 M222	W144-T218 PolarHBondContact NE1-OG1 3.03Å; L214-T218 PolarHBondContact O-N 3.1Å; L214-T218 VanDerWaalsContact O-N 3.12Å; L214-T218 PolarHBondContact O-OG1 3.22Å; E215-T218 WeakPolarHBondContact O-CB 3.3Å; E215-T218 PolarHBondContact O-N 2.76Å; E215-T218 VanDerWaalsContact O-N 3.09Å; T218-Q220 PolarHBondContact O-N 2.82Å; T218-Y221 WeakPolarHBondContact O-CB 3.43Å; T218-Y221 PolarHBondContact O-N 2.7Å; T218-M222 HydrophobicContact CG2-CG 4.28Å; T218-M222 HydrophobicContact CG2-SD 4.01Å; T218-M222 WeakPolarHBondContact O-CG 3.47Å; T218-M222 PolarHBondContact O-N 2.68Å
219	P	98.4	Very high	98.1	Very high	87 Å²	87	72.4 Å²	72.4	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-58.6	-46.8	176.8	-26.7	35.2	0	0	0	113.6	E215 Y221 M222 E223	E215-P219 VanDerWaalsContact O-CD 3.25Å; E215-P219 WeakPolarHBondContact O-CD 3.45Å; P219-Y221 VanDerWaalsContact C-N 3.32Å; P219-Y221 PolarHBondContact O-N 2.88Å; P219-M222 PolarHBondContact O-N 3.23Å; P219-E223 PolarHBondContact O-N 2.81Å
220	Q	98	Very high	98.2	Very high	99 Å²	99	70.9 Å²	70.9	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-67.7	-34.9	178.6	-171.2	65.7	72	0	0	112	L217 T218 E223 N224	L217-Q220 PolarHBondContact O-N 2.99Å; T218-Q220 PolarHBondContact O-N 2.82Å; Q220-E223 PolarHBondContact NE2-OE2 2.79Å; Q220-N224 PolarHBondContact NE2-OD1 3.43Å; Q220-N224 VanDerWaalsContact NE2-OD1 3.09Å; Q220-N224 WeakPolarHBondContact O-CB 3.27Å; Q220-N224 PolarHBondContact O-N 2.8Å; Q220-N224 PolarHBondContact O-ND2 3.02Å; Q220-N224 VanDerWaalsContact O-ND2 3.13Å
221	Y	98.4	Very high	98.2	Very high	10 Å²	10	75.8 Å²	75.8	4%	0.039	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-50.2	172.4	161.5	-117.2	0	0	0	111.1	W18 Q141 W144 L217 T218 P219 N224 M225	W18-Y221 AromaticContact CE3-CE1 3.85Å; W18-Y221 HydrophobicContact CE3-CE1 3.85Å; W18-Y221 HydrophobicContact CZ3-CE1 4.43Å; W18-Y221 PolarHBondContact O-OH 3Å; Q141-Y221 HydrophobicContact CB-CE2 3.96Å; Q141-Y221 HydrophobicContact CG-CE2 3.72Å; Q141-Y221 PolarHBondContact NE2-OH 3.05Å; W144-Y221 HydrophobicContact CB-CD1 4.33Å; W144-Y221 HydrophobicContact CB-CD2 3.8Å; W144-Y221 HydrophobicContact CB-CE2 4.44Å; W144-Y221 HydrophobicContact CB-CG 3.73Å; W144-Y221 AromaticContact CD1-CD1 3.77Å; W144-Y221 AromaticContact CD1-CG 3.86Å; W144-Y221 AromaticContact CD2-CD1 3.96Å; W144-Y221 HydrophobicContact CD2-CD1 3.96Å; W144-Y221 AromaticContact CD2-CE1 3.99Å; W144-Y221 HydrophobicContact CD2-CE1 3.99Å; W144-Y221 HydrophobicContact CD2-CG 4.26Å; W144-Y221 HydrophobicContact CE3-CE1 4.24Å; W144-Y221 AromaticContact CG-CD1 3.79Å; W144-Y221 HydrophobicContact CG-CD1 3.79Å; W144-Y221 HydrophobicContact CG-CD2 4.13Å; W144-Y221 HydrophobicContact CG-CE1 4.28Å; W144-Y221 AromaticContact CG-CG 3.68Å; W144-Y221 HydrophobicContact CG-CG 3.68Å; W144-Y221 AromaticContact NE1-CD1 3.95Å; L217-Y221 WeakPolarHBondContact O-CB 3.49Å; L217-Y221 PolarHBondContact O-N 2.91Å; T218-Y221 WeakPolarHBondContact O-CB 3.43Å; T218-Y221 PolarHBondContact O-N 2.7Å; P219-Y221 VanDerWaalsContact C-N 3.32Å; P219-Y221 PolarHBondContact O-N 2.88Å; Y221-N224 PolarHBondContact O-N 3.23Å; Y221-M225 HydrophobicContact CD2-CG 3.61Å; Y221-M225 HydrophobicContact CD2-SD 4.42Å; Y221-M225 HydrophobicContact CE2-CE 4.25Å; Y221-M225 HydrophobicContact CE2-CG 3.21Å; Y221-M225 HydrophobicContact CE2-SD 3.72Å; Y221-M225 HydrophobicContact CG-CG 4.49Å; Y221-M225 WeakPolarHBondContact O-CB 3.27Å; Y221-M225 VanDerWaalsContact O-CG 3.22Å; Y221-M225 WeakPolarHBondContact O-CG 3.46Å; Y221-M225 PolarHBondContact O-N 2.87Å
222	M	98.4	Very high	98.2	Very high	71 Å²	71	73 Å²	73	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-49.2	179.8	-69.2	177.1	68	0	0	111.5	W18 T218 P219 N224 M225 E226	W18-M222 HydrophobicContact CE3-CG 4.34Å; W18-M222 HydrophobicContact CH2-CB 4Å; W18-M222 HydrophobicContact CH2-CE 4.13Å; W18-M222 HydrophobicContact CH2-CG 3.96Å; W18-M222 HydrophobicContact CZ2-CE 3.97Å; W18-M222 HydrophobicContact CZ3-CB 4.08Å; W18-M222 HydrophobicContact CZ3-CG 3.86Å; T218-M222 HydrophobicContact CG2-CG 4.28Å; T218-M222 HydrophobicContact CG2-SD 4.01Å; T218-M222 WeakPolarHBondContact O-CG 3.47Å; T218-M222 PolarHBondContact O-N 2.68Å; P219-M222 PolarHBondContact O-N 3.23Å; M222-N224 VanDerWaalsContact C-N 3.35Å; M222-N224 PolarHBondContact O-N 2.87Å; M222-M225 PolarHBondContact O-N 3.4Å; M222-E226 WeakPolarHBondContact O-CB 3.29Å; M222-E226 WeakPolarHBondContact O-CG 3.28Å; M222-E226 PolarHBondContact O-N 2.89Å
223	E	98.6	Very high	98.2	Very high	116 Å²	116	71.1 Å²	71.1	54%	0.542	35%	0.345	S	S	.	.	H	α-helix	trans	-55.8	-47.1	177.6	-176.5	-175.9	-164.4	0	0	112.1	P219 Q220 E226 Q227	P219-E223 PolarHBondContact O-N 2.81Å; Q220-E223 PolarHBondContact NE2-OE2 2.79Å; E223-E226 PolarHBondContact O-N 3.17Å; E223-Q227 WeakPolarHBondContact O-CB 3.36Å; E223-Q227 PolarHBondContact O-N 2.83Å
224	N	98.6	Very high	98.3	Very high	48 Å²	48	72.8 Å²	72.8	26%	0.257	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-38.7	-179.6	-68.7	-20.8	0	0	0	112.4	A140 Q220 Y221 M222 V228	A140-N224 HydrophobicContact CB-CB 3.67Å; Q220-N224 PolarHBondContact NE2-OD1 3.43Å; Q220-N224 VanDerWaalsContact NE2-OD1 3.09Å; Q220-N224 WeakPolarHBondContact O-CB 3.27Å; Q220-N224 PolarHBondContact O-N 2.8Å; Q220-N224 PolarHBondContact O-ND2 3.02Å; Q220-N224 VanDerWaalsContact O-ND2 3.13Å; Y221-N224 PolarHBondContact O-N 3.23Å; M222-N224 VanDerWaalsContact C-N 3.35Å; M222-N224 PolarHBondContact O-N 2.87Å; N224-V228 WeakPolarHBondContact O-CG2 3.23Å; N224-V228 PolarHBondContact O-N 2.59Å
225	M	98.7	Very high	98.3	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-68.1	-43.7	177.1	-70.9	-69.1	-73.4	0	0	111.2	F17 W18 Y23 F137 A140 Q141 Y221 M222 Q227 V228 F229	F17-M225 HydrophobicContact CE1-CB 4.22Å; F17-M225 HydrophobicContact CE1-CE 4.03Å; F17-M225 HydrophobicContact CE2-CE 4.42Å; F17-M225 HydrophobicContact CZ-CB 4.42Å; F17-M225 HydrophobicContact CZ-CE 3.77Å; W18-M225 HydrophobicContact CZ3-CB 3.82Å; W18-M225 HydrophobicContact CZ3-CG 4.32Å; Y23-M225 HydrophobicContact CD1-CE 4.04Å; Y23-M225 HydrophobicContact CG-CE 4.37Å; F137-M225 HydrophobicContact CD1-CE 3.73Å; F137-M225 HydrophobicContact CD1-SD 3.79Å; F137-M225 HydrophobicContact CE1-CE 4.24Å; A140-M225 HydrophobicContact CB-CG 4.25Å; A140-M225 HydrophobicContact CB-SD 3.8Å; Q141-M225 HydrophobicContact CB-SD 3.88Å; Y221-M225 HydrophobicContact CD2-CG 3.61Å; Y221-M225 HydrophobicContact CD2-SD 4.42Å; Y221-M225 HydrophobicContact CE2-CE 4.25Å; Y221-M225 HydrophobicContact CE2-CG 3.21Å; Y221-M225 HydrophobicContact CE2-SD 3.72Å; Y221-M225 HydrophobicContact CG-CG 4.49Å; Y221-M225 WeakPolarHBondContact O-CB 3.27Å; Y221-M225 VanDerWaalsContact O-CG 3.22Å; Y221-M225 WeakPolarHBondContact O-CG 3.46Å; Y221-M225 PolarHBondContact O-N 2.87Å; M222-M225 PolarHBondContact O-N 3.4Å; M225-Q227 VanDerWaalsContact C-N 3.3Å; M225-Q227 PolarHBondContact O-N 2.81Å; M225-V228 PolarHBondContact O-N 3.49Å; M225-F229 WeakPolarHBondContact O-CB 3.19Å; M225-F229 PolarHBondContact O-N 3.45Å
226	E	98.7	Very high	98.3	Very high	99 Å²	99	67.9 Å²	67.9	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-39.5	176.1	-75.9	173.1	-166.6	0	0	111.3	W18 M222 E223 V228 F229 E230	W18-E226 HydrophobicContact CH2-CG 3.96Å; M222-E226 WeakPolarHBondContact O-CB 3.29Å; M222-E226 WeakPolarHBondContact O-CG 3.28Å; M222-E226 PolarHBondContact O-N 2.89Å; E223-E226 PolarHBondContact O-N 3.17Å; E226-V228 PolarHBondContact O-N 2.82Å; E226-F229 PolarHBondContact O-N 3.45Å; E226-E230 WeakPolarHBondContact O-CB 3.18Å; E226-E230 PolarHBondContact O-N 2.91Å
227	Q	98.7	Very high	98.4	Very high	114 Å²	114	63.8 Å²	63.8	53%	0.533	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-46.8	176.4	-173.3	-176.5	18.9	0	0	112.4	E223 M225 Q231	E223-Q227 WeakPolarHBondContact O-CB 3.36Å; E223-Q227 PolarHBondContact O-N 2.83Å; M225-Q227 VanDerWaalsContact C-N 3.3Å; M225-Q227 PolarHBondContact O-N 2.81Å; Q227-Q231 WeakPolarHBondContact O-CG 3.42Å; Q227-Q231 PolarHBondContact O-N 2.87Å
228	V	98.7	Very high	98.5	Very high	17 Å²	17	66.9 Å²	66.9	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-69.3	-39.3	177.9	-179	0	0	0	0	110.6	T133 F137 N224 M225 E226 Q231 S232	T133-V228 HydrophobicContact CG2-CG1 4.44Å; F137-V228 HydrophobicContact CD1-CB 3.97Å; F137-V228 HydrophobicContact CD1-CG1 3.85Å; F137-V228 HydrophobicContact CD2-CG1 3.84Å; F137-V228 HydrophobicContact CE1-CB 3.82Å; F137-V228 HydrophobicContact CE1-CG1 3.82Å; F137-V228 HydrophobicContact CE2-CG1 3.82Å; F137-V228 HydrophobicContact CG-CB 4.45Å; F137-V228 HydrophobicContact CG-CG1 3.86Å; F137-V228 HydrophobicContact CZ-CB 4.21Å; F137-V228 HydrophobicContact CZ-CG1 3.81Å; N224-V228 WeakPolarHBondContact O-CG2 3.23Å; N224-V228 PolarHBondContact O-N 2.59Å; M225-V228 PolarHBondContact O-N 3.49Å; E226-V228 PolarHBondContact O-N 2.82Å; V228-Q231 PolarHBondContact O-N 3.4Å; V228-S232 PolarHBondContact O-N 3.1Å; V228-S232 VanDerWaalsContact O-N 3.09Å
229	F	98.7	Very high	98.5	Very high	66 Å²	66	66.2 Å²	66.2	29%	0.289	32%	0.318	S	S	.	.	H	α-helix	trans	-61.2	-45.5	176.7	-177	-98	0	0	0	111.8	F17 T26 F137 M225 E226 Q231 S232 Q233	F17-F229 HydrophobicContact CE2-CD2 4.04Å; F17-F229 HydrophobicContact CZ-CB 4.36Å; F17-F229 HydrophobicContact CZ-CD2 4.23Å; T26-F229 HydrophobicContact CG2-CD2 3.88Å; T26-F229 HydrophobicContact CG2-CE2 4.05Å; F137-F229 HydrophobicContact CE1-CB 4.22Å; F137-F229 HydrophobicContact CZ-CB 4.12Å; F137-F229 HydrophobicContact CZ-CD2 4.43Å; M225-F229 WeakPolarHBondContact O-CB 3.19Å; M225-F229 PolarHBondContact O-N 3.45Å; E226-F229 PolarHBondContact O-N 3.45Å; F229-Q231 VanDerWaalsContact C-N 3.33Å; F229-Q231 PolarHBondContact O-N 2.91Å; F229-S232 CarbonylContact O-C 3.59Å; F229-S232 WeakPolarHBondContact O-CA 3.45Å; F229-S232 WeakPolarHBondContact O-CB 3.43Å; F229-S232 PolarHBondContact O-N 2.86Å; F229-S232 PolarHBondContact O-OG 2.89Å; F229-Q233 HydrophobicContact CD1-CG 3.88Å; F229-Q233 HydrophobicContact CE1-CG 3.5Å; F229-Q233 HydrophobicContact CZ-CG 3.92Å; F229-Q233 WeakPolarHBondContact O-CG 3.24Å; F229-Q233 PolarHBondContact O-N 3.44Å
230	E	98.6	Very high	98.5	Very high	96 Å²	96	66.5 Å²	66.5	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-37.2	179.5	-175	53.4	-147.6	0	0	111.9	E226 S232 Q233 Q234	E226-E230 WeakPolarHBondContact O-CB 3.18Å; E226-E230 PolarHBondContact O-N 2.91Å; E230-S232 VanDerWaalsContact C-N 3.32Å; E230-S232 PolarHBondContact O-N 2.88Å; E230-Q233 WeakPolarHBondContact O-CB 3.1Å; E230-Q233 PolarHBondContact O-N 2.91Å; E230-Q234 WeakPolarHBondContact O-CG 3.14Å; E230-Q234 PolarHBondContact O-N 3.02Å; E230-Q234 PolarHBondContact OE1-NE2 3.15Å
231	Q	98.3	Very high	98.6	Very high	111 Å²	111	69.6 Å²	69.6	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-42	171.3	-70.7	173.3	3.6	0	0	111.8	Q227 V228 F229 Q233 Q234 F235	Q227-Q231 WeakPolarHBondContact O-CG 3.42Å; Q227-Q231 PolarHBondContact O-N 2.87Å; V228-Q231 PolarHBondContact O-N 3.4Å; F229-Q231 VanDerWaalsContact C-N 3.33Å; F229-Q231 PolarHBondContact O-N 2.91Å; Q231-Q233 VanDerWaalsContact C-N 3.33Å; Q231-Q233 PolarHBondContact O-N 3.33Å; Q231-Q234 PolarHBondContact O-N 3.39Å; Q231-F235 PolarHBondContact O-N 3.27Å
232	S	98.1	Very high	98.6	Very high	4 Å²	4	70 Å²	70	3%	0.028	32%	0.323	C	S	.	.	H	α-helix	trans	-67.8	-32.3	176.2	79.6	0	0	0	0	112.8	T26 V228 F229 E230 E236	T26-S232 WeakPolarHBondContact CG2-OG 3.32Å; V228-S232 PolarHBondContact O-N 3.1Å; V228-S232 VanDerWaalsContact O-N 3.09Å; F229-S232 CarbonylContact O-C 3.59Å; F229-S232 WeakPolarHBondContact O-CA 3.45Å; F229-S232 WeakPolarHBondContact O-CB 3.43Å; F229-S232 PolarHBondContact O-N 2.86Å; F229-S232 PolarHBondContact O-OG 2.89Å; E230-S232 VanDerWaalsContact C-N 3.32Å; E230-S232 PolarHBondContact O-N 2.88Å; S232-E236 WeakPolarHBondContact O-CB 3.37Å; S232-E236 PolarHBondContact O-N 3.16Å; S232-E236 VanDerWaalsContact O-N 3.08Å
233	Q	98.4	Very high	98.6	Very high	64 Å²	64	68.4 Å²	68.4	30%	0.299	31%	0.314	S	S	.	.	H	α-helix	trans	-68	-42	173.9	-72.7	-72.2	114.3	0	0	111.3	R29 F229 E230 Q231 F235 E236 D237	R29-Q233 VanDerWaalsContact CZ-OE1 3.25Å; F229-Q233 HydrophobicContact CD1-CG 3.88Å; F229-Q233 HydrophobicContact CE1-CG 3.5Å; F229-Q233 HydrophobicContact CZ-CG 3.92Å; F229-Q233 WeakPolarHBondContact O-CG 3.24Å; F229-Q233 PolarHBondContact O-N 3.44Å; E230-Q233 WeakPolarHBondContact O-CB 3.1Å; E230-Q233 PolarHBondContact O-N 2.91Å; Q231-Q233 VanDerWaalsContact C-N 3.33Å; Q231-Q233 PolarHBondContact O-N 3.33Å; Q233-F235 VanDerWaalsContact C-N 3.33Å; Q233-F235 PolarHBondContact O-N 3.43Å; Q233-E236 PolarHBondContact O-N 3.14Å; Q233-D237 WeakPolarHBondContact O-CB 3.49Å; Q233-D237 PolarHBondContact O-N 3.04Å
234	Q	98.5	Very high	98.6	Very high	105 Å²	105	69.8 Å²	69.8	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-36.9	176.1	-70.5	171.1	13.9	0	0	112.4	E230 Q231 K238	E230-Q234 WeakPolarHBondContact O-CG 3.14Å; E230-Q234 PolarHBondContact O-N 3.02Å; E230-Q234 PolarHBondContact OE1-NE2 3.15Å; Q231-Q234 PolarHBondContact O-N 3.39Å; Q234-K238 WeakPolarHBondContact O-CG 3.35Å; Q234-K238 PolarHBondContact O-N 3.32Å
235	F	98.4	Very high	98.6	Very high	41 Å²	41	72.2 Å²	72.2	18%	0.18	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-43.1	173.4	-173.6	-105.3	0	0	0	111.6	V30 Y119 E129 Q231 Q233 K238 R239	V30-F235 HydrophobicContact CG1-CD1 4.21Å; V30-F235 HydrophobicContact CG1-CE1 3.85Å; Y119-F235 HydrophobicContact CD1-CZ 4.22Å; Y119-F235 AromaticContact CE1-CE1 3.65Å; Y119-F235 HydrophobicContact CE1-CE1 3.65Å; Y119-F235 AromaticContact CE1-CZ 3.73Å; Y119-F235 HydrophobicContact CE1-CZ 3.73Å; Y119-F235 AromaticContact CZ-CE1 3.86Å; Y119-F235 AromaticContact CZ-CZ 3.93Å; E129-F235 HydrophobicContact CB-CZ 4.38Å; E129-F235 HydrophobicContact CG-CE2 4.16Å; E129-F235 HydrophobicContact CG-CZ 4.09Å; Q231-F235 PolarHBondContact O-N 3.27Å; Q233-F235 VanDerWaalsContact C-N 3.33Å; Q233-F235 PolarHBondContact O-N 3.43Å; F235-K238 WeakPolarHBondContact O-CB 3.48Å; F235-K238 PolarHBondContact O-N 3.46Å; F235-R239 PolarHBondContact O-N 2.98Å
236	E	98.4	Very high	98.6	Very high	16 Å²	16	72.2 Å²	72.2	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-65.8	-40.8	176.1	179.6	61.2	-156.4	0	0	112.8	R29 S232 Q233 K238 R239 I240	R29-E236 IonicContact NE-OE2 3.59Å; S232-E236 WeakPolarHBondContact O-CB 3.37Å; S232-E236 PolarHBondContact O-N 3.16Å; S232-E236 VanDerWaalsContact O-N 3.08Å; Q233-E236 PolarHBondContact O-N 3.14Å; E236-K238 VanDerWaalsContact C-N 3.28Å; E236-K238 PolarHBondContact O-N 3.35Å; E236-R239 VanDerWaalsContact CD-CZ 3.47Å; E236-R239 WeakPolarHBondContact O-CB 3.42Å; E236-R239 PolarHBondContact O-N 3.41Å; E236-R239 VanDerWaalsContact O-N 3.09Å; E236-R239 IonicContact OE1-CZ 2.78Å; E236-R239 IonicContact OE1-NE 3.7Å; E236-R239 IonicContact OE1-NH1 3.21Å; E236-R239 PolarHBondContact OE1-NH1 3.28Å; E236-R239 IonicContact OE1-NH2 3.91Å; E236-R239 PolarHBondContact OE1-NH2 3.34Å; E236-R239 IonicContact OE2-CZ 3.41Å; E236-R239 IonicContact OE2-NE 3.97Å; E236-R239 IonicContact OE2-NH1 3.64Å; E236-R239 PolarHBondContact OE2-NH1 3.48Å; E236-R239 IonicContact OE2-NH2 2.99Å; E236-I240 HydrophobicContact CG-CD1 3.9Å; E236-I240 HydrophobicContact CG-CG1 4.42Å; E236-I240 WeakPolarHBondContact O-CG1 3.45Å; E236-I240 PolarHBondContact O-N 3.03Å
237	D	98.7	Very high	98.6	Very high	65 Å²	65	71.7 Å²	71.7	35%	0.348	33%	0.329	S	S	.	.	H	α-helix	trans	-58.2	-39.8	176.6	175.5	82.2	0	0	0	111.7	Q233 R239 I240 R241	Q233-D237 WeakPolarHBondContact O-CB 3.49Å; Q233-D237 PolarHBondContact O-N 3.04Å; D237-R239 PolarHBondContact O-N 2.78Å; D237-I240 PolarHBondContact O-N 2.86Å; D237-R241 WeakPolarHBondContact O-CB 3.3Å; D237-R241 WeakPolarHBondContact O-CG 3.26Å; D237-R241 PolarHBondContact O-N 2.86Å; D237-R241 IonicContact OD1-CZ 3.6Å; D237-R241 IonicContact OD1-NE 2.97Å; D237-R241 PolarHBondContact OD1-NE 3.38Å; D237-R241 IonicContact OD1-NH2 2.78Å; D237-R241 PolarHBondContact OD1-NH2 3.21Å; D237-R241 WeakPolarHBondContact OD2-CD 3.33Å; D237-R241 IonicContact OD2-CZ 3.6Å; D237-R241 IonicContact OD2-NE 3.74Å; D237-R241 PolarHBondContact OD2-NE 3.45Å; D237-R241 IonicContact OD2-NH2 2.59Å
238	K	98.6	Very high	98.6	Very high	135 Å²	135	71.4 Å²	71.4	59%	0.587	33%	0.33	S	S	*	.	H	α-helix	trans	-58.3	-46.4	174.1	-69.4	172.9	-176.3	178	0	111.7	Q234 F235 E236 F242	Q234-K238 WeakPolarHBondContact O-CG 3.35Å; Q234-K238 PolarHBondContact O-N 3.32Å; F235-K238 WeakPolarHBondContact O-CB 3.48Å; F235-K238 PolarHBondContact O-N 3.46Å; E236-K238 VanDerWaalsContact C-N 3.28Å; E236-K238 PolarHBondContact O-N 3.35Å; K238-F242 VanDerWaalsContact O-CB 3.24Å; K238-F242 WeakPolarHBondContact O-CB 3.4Å; K238-F242 PolarHBondContact O-N 3.01Å
239	R	98.7	Very high	98.6	Very high	26 Å²	26	73.4 Å²	73.4	10%	0.098	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-47.6	177.9	-168.2	-167.9	78.6	-154.8	6.6	111.3	W114 F235 E236 D237 R241 F242 F243	W114-R239 HydrophobicContact CH2-CB 3.6Å; W114-R239 HydrophobicContact CH2-CG 3.59Å; W114-R239 HydrophobicContact CZ2-CB 4.15Å; W114-R239 HydrophobicContact CZ2-CG 4.46Å; W114-R239 HydrophobicContact CZ3-CB 4.47Å; W114-R239 HydrophobicContact CZ3-CG 3.97Å; F235-R239 PolarHBondContact O-N 2.98Å; E236-R239 VanDerWaalsContact CD-CZ 3.47Å; E236-R239 WeakPolarHBondContact O-CB 3.42Å; E236-R239 PolarHBondContact O-N 3.41Å; E236-R239 VanDerWaalsContact O-N 3.09Å; E236-R239 IonicContact OE1-CZ 2.78Å; E236-R239 IonicContact OE1-NE 3.7Å; E236-R239 IonicContact OE1-NH1 3.21Å; E236-R239 PolarHBondContact OE1-NH1 3.28Å; E236-R239 IonicContact OE1-NH2 3.91Å; E236-R239 PolarHBondContact OE1-NH2 3.34Å; E236-R239 IonicContact OE2-CZ 3.41Å; E236-R239 IonicContact OE2-NE 3.97Å; E236-R239 IonicContact OE2-NH1 3.64Å; E236-R239 PolarHBondContact OE2-NH1 3.48Å; E236-R239 IonicContact OE2-NH2 2.99Å; D237-R239 PolarHBondContact O-N 2.78Å; R239-R241 PolarHBondContact O-N 2.87Å; R239-F242 PolarHBondContact O-N 3.12Å; R239-F243 HydrophobicContact CG-CD1 3.93Å; R239-F243 HydrophobicContact CG-CE1 3.82Å; R239-F243 WeakPolarHBondContact O-CB 3.33Å; R239-F243 WeakPolarHBondContact O-CD1 3.48Å; R239-F243 PolarHBondContact O-N 3.26Å
240	I	98.8	Very high	98.6	Very high	94 Å²	94	71.1 Å²	71.1	48%	0.482	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-45.9	-178.3	-68.8	171.6	0	0	0	110.9	E236 D237 F243 K244	E236-I240 HydrophobicContact CG-CD1 3.9Å; E236-I240 HydrophobicContact CG-CG1 4.42Å; E236-I240 WeakPolarHBondContact O-CG1 3.45Å; E236-I240 PolarHBondContact O-N 3.03Å; D237-I240 PolarHBondContact O-N 2.86Å; I240-F243 PolarHBondContact O-N 3.27Å; I240-K244 PolarHBondContact O-N 3.5Å
241	R	98.8	Very high	98.6	Very high	163 Å²	163	71.9 Å²	71.9	62%	0.615	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-43	177.4	-70.6	178.8	-169.1	-83.8	-14	111.9	D237 R239 K244 E245	D237-R241 WeakPolarHBondContact O-CB 3.3Å; D237-R241 WeakPolarHBondContact O-CG 3.26Å; D237-R241 PolarHBondContact O-N 2.86Å; D237-R241 IonicContact OD1-CZ 3.6Å; D237-R241 IonicContact OD1-NE 2.97Å; D237-R241 PolarHBondContact OD1-NE 3.38Å; D237-R241 IonicContact OD1-NH2 2.78Å; D237-R241 PolarHBondContact OD1-NH2 3.21Å; D237-R241 WeakPolarHBondContact OD2-CD 3.33Å; D237-R241 IonicContact OD2-CZ 3.6Å; D237-R241 IonicContact OD2-NE 3.74Å; D237-R241 PolarHBondContact OD2-NE 3.45Å; D237-R241 IonicContact OD2-NH2 2.59Å; R239-R241 PolarHBondContact O-N 2.87Å; R241-K244 WeakPolarHBondContact O-CB 3.46Å; R241-K244 PolarHBondContact O-N 2.97Å; R241-E245 PolarHBondContact O-N 3.14Å
242	F	98.8	Very high	98.6	Very high	19 Å²	19	73.6 Å²	73.6	8%	0.083	34%	0.337	C	S	.	.	H	α-helix	trans	-60.7	-46.8	176.6	175.9	-104.9	0	0	0	111.6	K110 L111 W114 K238 R239 K244 E245 L246	K110-F242 HydrophobicContact CD-CE2 4.48Å; K110-F242 HydrophobicContact CG-CE2 4.1Å; K110-F242 HydrophobicContact CG-CZ 4.18Å; L111-F242 HydrophobicContact CD1-CE1 3.68Å; W114-F242 HydrophobicContact CB-CD1 4.3Å; W114-F242 HydrophobicContact CB-CD2 4.44Å; W114-F242 HydrophobicContact CB-CE1 3.67Å; W114-F242 HydrophobicContact CB-CE2 3.81Å; W114-F242 HydrophobicContact CB-CZ 3.4Å; W114-F242 AromaticContact CD1-CD2 3.5Å; W114-F242 AromaticContact CD1-CE2 3.68Å; W114-F242 AromaticContact CD1-CG 3.69Å; W114-F242 AromaticContact CD2-CD1 3.48Å; W114-F242 HydrophobicContact CD2-CD1 3.48Å; W114-F242 VanDerWaalsContact CD2-CD1 3.48Å; W114-F242 HydrophobicContact CD2-CD2 4.37Å; W114-F242 AromaticContact CD2-CE1 3.71Å; W114-F242 HydrophobicContact CD2-CE1 3.71Å; W114-F242 AromaticContact CD2-CG 3.85Å; W114-F242 HydrophobicContact CD2-CG 3.85Å; W114-F242 HydrophobicContact CD2-CZ 4.25Å; W114-F242 AromaticContact CE2-CD1 3.82Å; W114-F242 AromaticContact CE2-CG 3.78Å; W114-F242 AromaticContact CE3-CD1 3.82Å; W114-F242 HydrophobicContact CE3-CD1 3.82Å; W114-F242 AromaticContact CE3-CE1 3.97Å; W114-F242 HydrophobicContact CE3-CE1 3.97Å; W114-F242 AromaticContact CG-CD1 3.67Å; W114-F242 HydrophobicContact CG-CD1 3.67Å; W114-F242 AromaticContact CG-CD2 3.86Å; W114-F242 HydrophobicContact CG-CD2 3.86Å; W114-F242 AromaticContact CG-CE1 3.56Å; W114-F242 HydrophobicContact CG-CE1 3.56Å; W114-F242 AromaticContact CG-CE2 3.73Å; W114-F242 HydrophobicContact CG-CE2 3.73Å; W114-F242 AromaticContact CG-CG 3.83Å; W114-F242 HydrophobicContact CG-CG 3.83Å; W114-F242 AromaticContact CG-CZ 3.59Å; W114-F242 HydrophobicContact CG-CZ 3.59Å; W114-F242 HydrophobicContact CZ2-CB 4.3Å; W114-F242 HydrophobicContact CZ2-CD1 4.47Å; W114-F242 HydrophobicContact CZ3-CD1 4.46Å; W114-F242 AromaticContact NE1-CD2 3.83Å; W114-F242 AromaticContact NE1-CG 3.63Å; K238-F242 VanDerWaalsContact O-CB 3.24Å; K238-F242 WeakPolarHBondContact O-CB 3.4Å; K238-F242 PolarHBondContact O-N 3.01Å; R239-F242 PolarHBondContact O-N 3.12Å; F242-K244 VanDerWaalsContact C-N 3.31Å; F242-K244 PolarHBondContact O-N 2.93Å; F242-E245 PolarHBondContact O-N 3.19Å; F242-L246 HydrophobicContact CE1-CD2 4.25Å; F242-L246 HydrophobicContact CZ-CD2 4.44Å; F242-L246 WeakPolarHBondContact O-CB 3.2Å; F242-L246 PolarHBondContact O-N 2.92Å
243	F	98.8	Very high	98.7	Very high	37 Å²	37	75.3 Å²	75.3	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-43.6	176.1	-90.1	44	0	0	0	111.3	L36 L40 L111 R239 I240 E245 L246 L247	L36-F243 HydrophobicContact CB-CE2 4.49Å; L36-F243 HydrophobicContact CB-CZ 4.38Å; L40-F243 HydrophobicContact CB-CE2 4.3Å; L40-F243 HydrophobicContact CB-CZ 4.4Å; L40-F243 HydrophobicContact CD2-CD1 4.5Å; L40-F243 HydrophobicContact CD2-CD2 3.84Å; L40-F243 HydrophobicContact CD2-CE1 4.34Å; L40-F243 HydrophobicContact CD2-CE2 3.68Å; L40-F243 HydrophobicContact CD2-CG 4.26Å; L40-F243 HydrophobicContact CD2-CZ 3.94Å; L111-F243 HydrophobicContact CD1-CE1 4.13Å; R239-F243 HydrophobicContact CG-CD1 3.93Å; R239-F243 HydrophobicContact CG-CE1 3.82Å; R239-F243 WeakPolarHBondContact O-CB 3.33Å; R239-F243 WeakPolarHBondContact O-CD1 3.48Å; R239-F243 PolarHBondContact O-N 3.26Å; I240-F243 PolarHBondContact O-N 3.27Å; F243-E245 PolarHBondContact O-N 3.5Å; F243-L246 PolarHBondContact O-N 3.09Å; F243-L247 VanDerWaalsContact O-CB 3.31Å; F243-L247 WeakPolarHBondContact O-CB 3.48Å; F243-L247 WeakPolarHBondContact O-CG 3.42Å; F243-L247 PolarHBondContact O-N 2.76Å
244	K	98.8	Very high	98.7	Very high	145 Å²	145	74.4 Å²	74.4	63%	0.63	34%	0.341	S	S	*	.	H	α-helix	trans	-60.2	-45.7	176.6	179.1	-177.7	175.6	-178.3	0	111.9	I240 R241 F242 L248	I240-K244 PolarHBondContact O-N 3.5Å; R241-K244 WeakPolarHBondContact O-CB 3.46Å; R241-K244 PolarHBondContact O-N 2.97Å; F242-K244 VanDerWaalsContact C-N 3.31Å; F242-K244 PolarHBondContact O-N 2.93Å; K244-L248 HydrophobicContact CG-CD1 4.4Å; K244-L248 WeakPolarHBondContact O-CG 3.42Å; K244-L248 PolarHBondContact O-N 3.4Å
245	E	98.8	Very high	98.7	Very high	100 Å²	100	71.1 Å²	71.1	47%	0.467	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-51.1	178.3	-174.4	-174.3	139.2	0	0	111.1	K110 R241 F242 F243 L247 L248 E249	K110-E245 IonicContact NZ-OE1 3.03Å; K110-E245 PolarHBondContact NZ-OE1 3.04Å; R241-E245 PolarHBondContact O-N 3.14Å; F242-E245 PolarHBondContact O-N 3.19Å; F243-E245 PolarHBondContact O-N 3.5Å; E245-L247 PolarHBondContact O-N 3.41Å; E245-L248 WeakPolarHBondContact O-CB 3.44Å; E245-L248 PolarHBondContact O-N 3.2Å; E245-L248 VanDerWaalsContact O-N 3.13Å; E245-E249 PolarHBondContact O-N 3.45Å; E245-E249 VanDerWaalsContact O-N 3.1Å
246	L	98.8	Very high	98.6	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-44.3	179.4	-177.6	70.4	0	0	0	112.1	L40 I44 D107 K110 L111 F242 F243 L248 E249 V250	L40-L246 HydrophobicContact CD2-CD2 3.91Å; I44-L246 HydrophobicContact CD1-CD2 4.42Å; D107-L246 HydrophobicContact CB-CD1 4.02Å; K110-L246 HydrophobicContact CB-CD1 4.43Å; K110-L246 HydrophobicContact CD-CD1 4.25Å; L111-L246 HydrophobicContact CB-CD2 3.77Å; L111-L246 HydrophobicContact CD1-CD2 4.14Å; L111-L246 HydrophobicContact CD2-CD2 3.93Å; L111-L246 HydrophobicContact CG-CD2 4.17Å; F242-L246 HydrophobicContact CE1-CD2 4.25Å; F242-L246 HydrophobicContact CZ-CD2 4.44Å; F242-L246 WeakPolarHBondContact O-CB 3.2Å; F242-L246 PolarHBondContact O-N 2.92Å; F243-L246 PolarHBondContact O-N 3.09Å; L246-L248 VanDerWaalsContact C-N 3.25Å; L246-L248 PolarHBondContact O-N 3.33Å; L246-E249 WeakPolarHBondContact O-CB 3.42Å; L246-E249 PolarHBondContact O-N 3.4Å; L246-E249 VanDerWaalsContact O-N 3.1Å; L246-V250 WeakPolarHBondContact O-CG2 3.39Å; L246-V250 PolarHBondContact O-N 3.06Å
247	L	98.8	Very high	98.5	Very high	88 Å²	88	73.5 Å²	73.5	46%	0.461	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-30.5	179.3	-72.1	170.8	0	0	0	112.6	L40 F243 E245 K251	L40-L247 HydrophobicContact CD1-CD2 4.2Å; F243-L247 VanDerWaalsContact O-CB 3.31Å; F243-L247 WeakPolarHBondContact O-CB 3.48Å; F243-L247 WeakPolarHBondContact O-CG 3.42Å; F243-L247 PolarHBondContact O-N 2.76Å; E245-L247 PolarHBondContact O-N 3.41Å; L247-K251 WeakPolarHBondContact O-CB 3.33Å; L247-K251 PolarHBondContact O-N 3.2Å
248	L	98.8	Very high	98.3	Very high	107 Å²	107	75.2 Å²	75.2	56%	0.56	36%	0.361	S	S	*	.	H	α-helix	trans	-72.5	-33.9	173.4	-70.8	169.8	0	0	0	112	K244 E245 L246 K252	K244-L248 HydrophobicContact CG-CD1 4.4Å; K244-L248 WeakPolarHBondContact O-CG 3.42Å; K244-L248 PolarHBondContact O-N 3.4Å; E245-L248 WeakPolarHBondContact O-CB 3.44Å; E245-L248 PolarHBondContact O-N 3.2Å; E245-L248 VanDerWaalsContact O-N 3.13Å; L246-L248 VanDerWaalsContact C-N 3.25Å; L246-L248 PolarHBondContact O-N 3.33Å; L248-K252 PolarHBondContact O-N 3.25Å; L248-K252 VanDerWaalsContact O-N 3.12Å
249	E	98.6	Very high	98.1	Very high	59 Å²	59	70.2 Å²	70.2	28%	0.276	34%	0.341	S	S	.	.	H	α-helix	trans	-68.2	-47.9	172.9	-68.2	173.8	158.8	0	0	111.3	K110 E245 L246 K251 K252 H253	K110-E249 WeakPolarHBondContact CD-OE2 3.49Å; K110-E249 IonicContact NZ-OE1 2.68Å; K110-E249 PolarHBondContact NZ-OE1 3.39Å; K110-E249 IonicContact NZ-OE2 3.15Å; K110-E249 PolarHBondContact NZ-OE2 3.01Å; E245-E249 PolarHBondContact O-N 3.45Å; E245-E249 VanDerWaalsContact O-N 3.1Å; L246-E249 WeakPolarHBondContact O-CB 3.42Å; L246-E249 PolarHBondContact O-N 3.4Å; L246-E249 VanDerWaalsContact O-N 3.1Å; E249-K251 VanDerWaalsContact C-N 3.29Å; E249-K251 PolarHBondContact O-N 3.04Å; E249-K252 WeakPolarHBondContact O-CA 3.41Å; E249-K252 VanDerWaalsContact O-CB 3.28Å; E249-K252 WeakPolarHBondContact O-CB 3.42Å; E249-K252 PolarHBondContact O-N 2.93Å; E249-H253 PolarHBondContact O-N 3.48Å
250	V	98.8	Very high	98	Very high	18 Å²	18	72.8 Å²	72.8	11%	0.109	36%	0.363	C	S	.	.	H	α-helix	trans	-53.9	-47.1	172.3	170.8	0	0	0	0	110.4	I44 L103 D107 L246 K252 H253 L254	I44-V250 HydrophobicContact CD1-CG2 4.03Å; I44-V250 HydrophobicContact CG1-CG2 4.42Å; L103-V250 HydrophobicContact CD2-CG1 3.95Å; D107-V250 HydrophobicContact CB-CG2 3.75Å; D107-V250 WeakPolarHBondContact OD2-CG2 3.47Å; L246-V250 WeakPolarHBondContact O-CG2 3.39Å; L246-V250 PolarHBondContact O-N 3.06Å; V250-K252 PolarHBondContact O-N 2.99Å; V250-H253 PolarHBondContact O-N 3.16Å; V250-L254 HydrophobicContact CG1-CD1 3.8Å; V250-L254 HydrophobicContact CG1-CG 4.31Å; V250-L254 VanDerWaalsContact O-CG 3.24Å; V250-L254 WeakPolarHBondContact O-CG 3.29Å; V250-L254 PolarHBondContact O-N 3.46Å
251	K	98.5	Very high	97.9	Very high	113 Å²	113	73.5 Å²	73.5	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-55.9	-39.5	175.3	178.1	-91	159.2	-160.4	0	111.9	L247 E249 D255	L247-K251 WeakPolarHBondContact O-CB 3.33Å; L247-K251 PolarHBondContact O-N 3.2Å; E249-K251 VanDerWaalsContact C-N 3.29Å; E249-K251 PolarHBondContact O-N 3.04Å; K251-D255 IonicContact NZ-OD2 3.95Å; K251-D255 PolarHBondContact NZ-OD2 2.85Å; K251-D255 WeakPolarHBondContact O-CB 3.36Å; K251-D255 PolarHBondContact O-N 3.48Å
252	K	98.4	Very high	97.8	Very high	146 Å²	146	68.3 Å²	68.3	64%	0.635	34%	0.342	S	S	*	.	H	α-helix	trans	-68.9	-44.3	179.7	-176.1	-169.8	172.5	-163.1	0	110.9	L248 E249 V250 L254 D255	L248-K252 PolarHBondContact O-N 3.25Å; L248-K252 VanDerWaalsContact O-N 3.12Å; E249-K252 WeakPolarHBondContact O-CA 3.41Å; E249-K252 VanDerWaalsContact O-CB 3.28Å; E249-K252 WeakPolarHBondContact O-CB 3.42Å; E249-K252 PolarHBondContact O-N 2.93Å; V250-K252 PolarHBondContact O-N 2.99Å; K252-L254 VanDerWaalsContact C-N 3.27Å; K252-L254 PolarHBondContact O-N 3.46Å; K252-D255 PolarHBondContact O-N 2.76Å
253	H	98.6	Very high	97.7	Very high	40 Å²	40	73.3 Å²	73.3	19%	0.185	37%	0.366	C	S	.	.	H	α-helix	trans	-65.4	-30.9	178.5	-62.7	149.7	0	0	0	112.9	V99 A102 E106 D107 E249 V250	V99-H253 WeakPolarHBondContact CG2-O 3.25Å; A102-H253 HydrophobicContact CB-CB 4.01Å; E106-H253 IonicContact OE2-CE1 3.38Å; E106-H253 IonicContact OE2-NE2 2.79Å; D107-H253 VanDerWaalsContact CG-ND1 3.29Å; D107-H253 IonicContact OD1-CE1 3.19Å; D107-H253 PolarHBondContact OD1-CE1 3.08Å; D107-H253 VanDerWaalsContact OD1-CE1 3.27Å; D107-H253 IonicContact OD1-ND1 2.8Å; D107-H253 PolarHBondContact OD1-ND1 2.89Å; D107-H253 VanDerWaalsContact OD1-ND1 3.13Å; D107-H253 IonicContact OD2-CE1 2.78Å; D107-H253 IonicContact OD2-CG 3.63Å; D107-H253 IonicContact OD2-ND1 3.74Å; D107-H253 PolarHBondContact OD2-ND1 3.2Å; E249-H253 PolarHBondContact O-N 3.48Å; V250-H253 PolarHBondContact O-N 3.16Å
254	L	98.6	Very high	97.6	Very high	45 Å²	45	75.4 Å²	75.4	24%	0.236	38%	0.381	C	S	.	.	H	α-helix	trans	-78.2	-17.9	176.8	-66.8	175.4	0	0	0	114.2	R47 V99 L103 V250 K252 L256	R47-L254 HydrophobicContact CG-CD2 4.37Å; R47-L254 VanDerWaalsContact CZ-CD2 3.47Å; V99-L254 HydrophobicContact CG1-CD2 3.7Å; L103-L254 HydrophobicContact CD1-CD2 3.91Å; L103-L254 HydrophobicContact CD2-CD2 4.12Å; L103-L254 HydrophobicContact CD2-CG 4.35Å; L103-L254 HydrophobicContact CG-CD2 4.41Å; V250-L254 HydrophobicContact CG1-CD1 3.8Å; V250-L254 HydrophobicContact CG1-CG 4.31Å; V250-L254 VanDerWaalsContact O-CG 3.24Å; V250-L254 WeakPolarHBondContact O-CG 3.29Å; V250-L254 PolarHBondContact O-N 3.46Å; K252-L254 VanDerWaalsContact C-N 3.27Å; K252-L254 PolarHBondContact O-N 3.46Å; L254-L256 PolarHBondContact O-N 2.91Å
255	D	98.3	Very high	97.6	Very high	37 Å²	37	69.4 Å²	69.4	20%	0.198	36%	0.357	C	S	.	.			trans	-90.8	79.1	-167.8	-171.9	2.2	0	0	0	113.1	K251 K252 S257 T258	K251-D255 IonicContact NZ-OD2 3.95Å; K251-D255 PolarHBondContact NZ-OD2 2.85Å; K251-D255 WeakPolarHBondContact O-CB 3.36Å; K251-D255 PolarHBondContact O-N 3.48Å; K252-D255 PolarHBondContact O-N 2.76Å; D255-S257 PolarHBondContact O-N 2.82Å; D255-S257 WeakPolarHBondContact OD1-CB 3.28Å; D255-S257 PolarHBondContact OD1-N 2.79Å; D255-S257 PolarHBondContact OD1-OG 2.96Å; D255-T258 PolarHBondContact O-N 2.94Å; D255-T258 PolarHBondContact O-OG1 2.88Å
256	L	97.6	Very high	97.6	Very high	26 Å²	26	69.1 Å²	69.1	14%	0.136	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-63.8	-17.2	175.3	-64.8	-179.5	0	0	0	113.8	L95 V99 L254 T258 D259 F262	L95-L256 HydrophobicContact CB-CD2 4.36Å; V99-L256 HydrophobicContact CG2-CD2 3.76Å; V99-L256 HydrophobicContact CG2-CG 4.27Å; L254-L256 PolarHBondContact O-N 2.91Å; L256-T258 PolarHBondContact O-N 2.9Å; L256-D259 WeakPolarHBondContact O-CB 3.38Å; L256-D259 PolarHBondContact O-N 2.78Å; L256-F262 HydrophobicContact CB-CD2 4.42Å; L256-F262 HydrophobicContact CB-CG 4.29Å; L256-F262 HydrophobicContact CD1-CD2 4.39Å; L256-F262 HydrophobicContact CD1-CE2 4.47Å
257	S	96.3	Very high	97.6	Very high	80 Å²	80	73.6 Å²	73.6	56%	0.559	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65.2	-24.7	-178.9	78.5	0	0	0	0	112.9	D255	D255-S257 PolarHBondContact O-N 2.82Å; D255-S257 WeakPolarHBondContact OD1-CB 3.28Å; D255-S257 PolarHBondContact OD1-N 2.79Å; D255-S257 PolarHBondContact OD1-OG 2.96Å
258	T	94.1	Very high	97.6	Very high	101 Å²	101	73 Å²	73	62%	0.62	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-88.7	-9.1	177.3	64.6	0	0	0	0	113.2	D255 L256	D255-T258 PolarHBondContact O-N 2.94Å; D255-T258 PolarHBondContact O-OG1 2.88Å; L256-T258 PolarHBondContact O-N 2.9Å
259	D	94	Very high	97.5	Very high	31 Å²	31	69.1 Å²	69.1	17%	0.166	35%	0.353	C	S	.	.			trans	-85.1	114.3	179.2	-166.2	-24.3	0	0	0	111	L256 R261 F262	L256-D259 WeakPolarHBondContact O-CB 3.38Å; L256-D259 PolarHBondContact O-N 2.78Å; D259-R261 PolarHBondContact O-N 2.81Å; D259-R261 VanDerWaalsContact OD1-CB 3.23Å; D259-R261 WeakPolarHBondContact OD1-CB 3.4Å; D259-R261 WeakPolarHBondContact OD1-CG 3.39Å; D259-R261 PolarHBondContact OD1-N 2.86Å; D259-R261 IonicContact OD1-NE 2.8Å; D259-R261 PolarHBondContact OD1-NE 2.84Å; D259-R261 IonicContact OD2-CZ 3.26Å; D259-R261 VanDerWaalsContact OD2-CZ 3.27Å; D259-R261 IonicContact OD2-NE 2.72Å; D259-R261 PolarHBondContact OD2-NE 2.8Å; D259-R261 IonicContact OD2-NH2 2.68Å; D259-R261 PolarHBondContact OD2-NH2 2.89Å; D259-F262 HydrophobicContact CB-CB 4.4Å; D259-F262 WeakPolarHBondContact O-CB 3.32Å; D259-F262 PolarHBondContact O-N 2.85Å; D259-F262 VanDerWaalsContact O-N 3.09Å
260	S	96.3	Very high	97.5	Very high	80 Å²	80	71.5 Å²	71.5	56%	0.559	36%	0.364	S	S	*	.	H	α-helix	trans	-58.2	-26.8	175.8	61.6	0	0	0	0	113.8	F262 Q263 T264	S260-F262 VanDerWaalsContact C-N 3.34Å; S260-Q263 PolarHBondContact O-N 3.43Å; S260-T264 WeakPolarHBondContact O-CB 3.38Å; S260-T264 PolarHBondContact O-N 3.2Å; S260-T264 PolarHBondContact O-OG1 3.39Å
261	R	96.8	Very high	97.5	Very high	108 Å²	108	75 Å²	75	41%	0.408	38%	0.382	S	S	.	.	H	α-helix	trans	-67	-39	177.2	-60.9	177	-64.4	164.3	0.6	110.8	L95 E98 D259 Q263 T264 V265	L95-R261 HydrophobicContact CD2-CB 4.18Å; E98-R261 IonicContact OE1-CZ 3.43Å; E98-R261 IonicContact OE1-NH1 2.71Å; E98-R261 PolarHBondContact OE1-NH1 3.19Å; E98-R261 IonicContact OE2-CZ 2.67Å; E98-R261 IonicContact OE2-NH1 3.6Å; E98-R261 PolarHBondContact OE2-NH1 3.27Å; E98-R261 IonicContact OE2-NH2 3.93Å; E98-R261 PolarHBondContact OE2-NH2 2.73Å; D259-R261 PolarHBondContact O-N 2.81Å; D259-R261 VanDerWaalsContact OD1-CB 3.23Å; D259-R261 WeakPolarHBondContact OD1-CB 3.4Å; D259-R261 WeakPolarHBondContact OD1-CG 3.39Å; D259-R261 PolarHBondContact OD1-N 2.86Å; D259-R261 IonicContact OD1-NE 2.8Å; D259-R261 PolarHBondContact OD1-NE 2.84Å; D259-R261 IonicContact OD2-CZ 3.26Å; D259-R261 VanDerWaalsContact OD2-CZ 3.27Å; D259-R261 IonicContact OD2-NE 2.72Å; D259-R261 PolarHBondContact OD2-NE 2.8Å; D259-R261 IonicContact OD2-NH2 2.68Å; D259-R261 PolarHBondContact OD2-NH2 2.89Å; R261-Q263 VanDerWaalsContact C-N 3.32Å; R261-Q263 PolarHBondContact O-N 2.85Å; R261-T264 WeakPolarHBondContact O-CB 3.45Å; R261-T264 PolarHBondContact O-N 3.05Å; R261-V265 WeakPolarHBondContact O-CG2 3.29Å; R261-V265 PolarHBondContact O-N 3.42Å
262	F	97.1	Very high	97.5	Very high	54 Å²	54	71.9 Å²	71.9	24%	0.237	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-42.9	176.5	-173.2	-108.7	0	0	0	111.2	V92 L95 L256 D259 S260 V265 Y266	V92-F262 HydrophobicContact CG2-CE2 4.43Å; L95-F262 HydrophobicContact CD1-CB 4.04Å; L95-F262 HydrophobicContact CD1-CD2 3.83Å; L95-F262 HydrophobicContact CD1-CG 4.45Å; L256-F262 HydrophobicContact CB-CD2 4.42Å; L256-F262 HydrophobicContact CB-CG 4.29Å; L256-F262 HydrophobicContact CD1-CD2 4.39Å; L256-F262 HydrophobicContact CD1-CE2 4.47Å; D259-F262 HydrophobicContact CB-CB 4.4Å; D259-F262 WeakPolarHBondContact O-CB 3.32Å; D259-F262 PolarHBondContact O-N 2.85Å; D259-F262 VanDerWaalsContact O-N 3.09Å; S260-F262 VanDerWaalsContact C-N 3.34Å; F262-V265 PolarHBondContact O-N 3.43Å; F262-Y266 HydrophobicContact CD1-CE2 4.4Å; F262-Y266 HydrophobicContact CD2-CE2 4.27Å; F262-Y266 AromaticContact CE1-CE2 3.92Å; F262-Y266 HydrophobicContact CE1-CE2 3.92Å; F262-Y266 AromaticContact CE2-CE2 3.79Å; F262-Y266 HydrophobicContact CE2-CE2 3.79Å; F262-Y266 AromaticContact CZ-CE2 3.59Å; F262-Y266 HydrophobicContact CZ-CE2 3.59Å; F262-Y266 VanDerWaalsContact O-CD2 3.3Å; F262-Y266 WeakPolarHBondContact O-CD2 3.13Å
263	Q	96.6	Very high	97.5	Very high	125 Å²	125	68.7 Å²	68.7	58%	0.584	36%	0.362	S	S	*	.	H	α-helix	trans	-65.8	-40.5	174.6	-62.4	177.2	7.4	0	0	112.2	S260 R261 V265 Y266 Q267	S260-Q263 PolarHBondContact O-N 3.43Å; R261-Q263 VanDerWaalsContact C-N 3.32Å; R261-Q263 PolarHBondContact O-N 2.85Å; Q263-V265 VanDerWaalsContact C-N 3.26Å; Q263-V265 PolarHBondContact O-N 3.03Å; Q263-Y266 PolarHBondContact O-N 3.44Å; Q263-Q267 PolarHBondContact O-N 3.01Å; Q263-Q267 VanDerWaalsContact O-N 3.12Å
264	T	98	Very high	97.5	Very high	80 Å²	80	71 Å²	71	49%	0.491	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-33.7	-179.7	-57.8	0	0	0	0	112.3	S260 R261 Y266 Q267 T268	S260-T264 WeakPolarHBondContact O-CB 3.38Å; S260-T264 PolarHBondContact O-N 3.2Å; S260-T264 PolarHBondContact O-OG1 3.39Å; R261-T264 WeakPolarHBondContact O-CB 3.45Å; R261-T264 PolarHBondContact O-N 3.05Å; T264-Y266 PolarHBondContact O-N 2.88Å; T264-Q267 PolarHBondContact O-N 3.35Å; T264-T268 WeakPolarHBondContact O-CB 3.4Å; T264-T268 PolarHBondContact O-N 3.26Å; T264-T268 PolarHBondContact O-OG1 3.09Å
265	V	98.4	Very high	97.5	Very high	19 Å²	19	71.6 Å²	71.6	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-57	-50.5	176.1	167.8	0	0	0	0	110.9	E88 K91 V92 R261 F262 Q263 T268 L269	E88-V265 HydrophobicContact CB-CG1 4.19Å; E88-V265 HydrophobicContact CG-CG1 3.54Å; K91-V265 HydrophobicContact CB-CG1 4.23Å; K91-V265 HydrophobicContact CB-CG2 3.57Å; K91-V265 HydrophobicContact CG-CG2 4.35Å; V92-V265 HydrophobicContact CG2-CG1 4.21Å; R261-V265 WeakPolarHBondContact O-CG2 3.29Å; R261-V265 PolarHBondContact O-N 3.42Å; F262-V265 PolarHBondContact O-N 3.43Å; Q263-V265 VanDerWaalsContact C-N 3.26Å; Q263-V265 PolarHBondContact O-N 3.03Å; V265-T268 PolarHBondContact O-N 2.9Å; V265-L269 PolarHBondContact O-N 3.18Å
266	Y	98.2	Very high	97.5	Very high	94 Å²	94	72.2 Å²	72.2	37%	0.369	40%	0.399	S	S	.	.	H	α-helix	trans	-72.9	-33.3	-178.6	-65.1	-72.2	0	0	0	113.1	E88 F262 Q263 T264 L269 E270	E88-Y266 HydrophobicContact CG-CD1 4.41Å; E88-Y266 HydrophobicContact CG-CE1 3.96Å; E88-Y266 WeakPolarHBondContact OE1-CE1 3.43Å; E88-Y266 VanDerWaalsContact OE1-CZ 3.22Å; E88-Y266 PolarHBondContact OE1-OH 3.34Å; F262-Y266 HydrophobicContact CD1-CE2 4.4Å; F262-Y266 HydrophobicContact CD2-CE2 4.27Å; F262-Y266 AromaticContact CE1-CE2 3.92Å; F262-Y266 HydrophobicContact CE1-CE2 3.92Å; F262-Y266 AromaticContact CE2-CE2 3.79Å; F262-Y266 HydrophobicContact CE2-CE2 3.79Å; F262-Y266 AromaticContact CZ-CE2 3.59Å; F262-Y266 HydrophobicContact CZ-CE2 3.59Å; F262-Y266 VanDerWaalsContact O-CD2 3.3Å; F262-Y266 WeakPolarHBondContact O-CD2 3.13Å; Q263-Y266 PolarHBondContact O-N 3.44Å; T264-Y266 PolarHBondContact O-N 2.88Å; Y266-L269 PolarHBondContact O-N 3.08Å; Y266-E270 PolarHBondContact O-N 2.7Å
267	Q	98.2	Very high	97.5	Very high	95 Å²	95	74.5 Å²	74.5	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-63.2	-44.4	173	-170.7	62.2	61.7	0	0	111.3	Q263 T264 L269 E270 D271	Q263-Q267 PolarHBondContact O-N 3.01Å; Q263-Q267 VanDerWaalsContact O-N 3.12Å; T264-Q267 PolarHBondContact O-N 3.35Å; Q267-L269 VanDerWaalsContact C-N 3.29Å; Q267-L269 PolarHBondContact O-N 3.24Å; Q267-E270 PolarHBondContact NE2-OE2 3.08Å; Q267-E270 PolarHBondContact O-N 3.13Å; Q267-D271 PolarHBondContact NE2-OD1 2.76Å; Q267-D271 WeakPolarHBondContact O-CB 3.45Å; Q267-D271 PolarHBondContact O-N 3.44Å
268	T	98.4	Very high	97.6	Very high	76 Å²	76	73.8 Å²	73.8	47%	0.466	41%	0.41	S	S	.	.	H	α-helix	trans	-63.8	-37.8	178.4	-55.1	0	0	0	0	111.3	T264 V265 T272	T264-T268 WeakPolarHBondContact O-CB 3.4Å; T264-T268 PolarHBondContact O-N 3.26Å; T264-T268 PolarHBondContact O-OG1 3.09Å; V265-T268 PolarHBondContact O-N 2.9Å; T268-T272 WeakPolarHBondContact O-CB 3.4Å; T268-T272 PolarHBondContact O-N 2.81Å; T268-T272 PolarHBondContact O-OG1 3.45Å
269	L	98.6	Very high	97.8	Very high	24 Å²	24	76.6 Å²	76.6	13%	0.126	42%	0.416	C	S	.	.	H	α-helix	trans	-62.2	-49.6	174.6	177.2	60.9	0	0	0	111.1	A84 L85 E88 V265 Y266 Q267 D271 T272 I273	A84-L269 HydrophobicContact CB-CD1 3.64Å; L85-L269 HydrophobicContact CD2-CD1 4Å; L85-L269 HydrophobicContact CD2-CD2 4.02Å; L85-L269 HydrophobicContact CG-CD1 4.46Å; E88-L269 HydrophobicContact CB-CD2 4.13Å; E88-L269 HydrophobicContact CG-CD2 4.06Å; V265-L269 PolarHBondContact O-N 3.18Å; Y266-L269 PolarHBondContact O-N 3.08Å; Q267-L269 VanDerWaalsContact C-N 3.29Å; Q267-L269 PolarHBondContact O-N 3.24Å; L269-D271 PolarHBondContact O-N 3.48Å; L269-T272 PolarHBondContact O-N 3.23Å; L269-I273 HydrophobicContact CD1-CD1 3.72Å; L269-I273 HydrophobicContact CD1-CG1 4.19Å; L269-I273 HydrophobicContact CG-CD1 3.86Å; L269-I273 WeakPolarHBondContact O-CG1 3.46Å; L269-I273 PolarHBondContact O-N 3.48Å
270	E	98.6	Very high	98	Very high	110 Å²	110	79.1 Å²	79.1	51%	0.514	43%	0.43	S	S	.	.	H	α-helix	trans	-59.2	-46	177.9	-177.8	177.8	-155.8	0	0	111.9	Y266 Q267 T272 I273 S274	Y266-E270 PolarHBondContact O-N 2.7Å; Q267-E270 PolarHBondContact NE2-OE2 3.08Å; Q267-E270 PolarHBondContact O-N 3.13Å; E270-T272 VanDerWaalsContact C-N 3.31Å; E270-T272 PolarHBondContact O-N 3.4Å; E270-I273 PolarHBondContact O-N 2.95Å; E270-S274 VanDerWaalsContact O-CB 3.26Å; E270-S274 WeakPolarHBondContact O-CB 3.5Å; E270-S274 PolarHBondContact O-N 2.96Å; E270-S274 PolarHBondContact O-OG 3.08Å
271	D	98.5	Very high	98.1	Very high	90 Å²	90	76.9 Å²	76.9	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-60.9	-42	179	-67.9	-11	0	0	0	111	Q267 L269 S274 A275	Q267-D271 PolarHBondContact NE2-OD1 2.76Å; Q267-D271 WeakPolarHBondContact O-CB 3.45Å; Q267-D271 PolarHBondContact O-N 3.44Å; L269-D271 PolarHBondContact O-N 3.48Å; D271-S274 PolarHBondContact O-N 3.17Å; D271-A275 WeakPolarHBondContact O-CB 3.4Å; D271-A275 PolarHBondContact O-N 3Å
272	T	98.4	Very high	98.2	Very high	48 Å²	48	77.7 Å²	77.7	29%	0.294	42%	0.423	S	S	.	.	H	α-helix	trans	-69	-40.8	-179.6	-53.9	0	0	0	0	111.8	A84 T268 L269 E270 A275	A84-T272 HydrophobicContact CB-CG2 3.68Å; T268-T272 WeakPolarHBondContact O-CB 3.4Å; T268-T272 PolarHBondContact O-N 2.81Å; T268-T272 PolarHBondContact O-OG1 3.45Å; L269-T272 PolarHBondContact O-N 3.23Å; E270-T272 VanDerWaalsContact C-N 3.31Å; E270-T272 PolarHBondContact O-N 3.4Å; T272-A275 PolarHBondContact O-N 2.96Å
273	I	98.5	Very high	98.2	Very high	80 Å²	80	81.8 Å²	81.8	41%	0.41	44%	0.441	S	S	.	.	H	α-helix	trans	-65.9	-44.3	175.9	-68.1	168.8	0	0	0	110.3	A81 L269 E270 A275 T276	A81-I273 HydrophobicContact CB-CG1 4.35Å; L269-I273 HydrophobicContact CD1-CD1 3.72Å; L269-I273 HydrophobicContact CD1-CG1 4.19Å; L269-I273 HydrophobicContact CG-CD1 3.86Å; L269-I273 WeakPolarHBondContact O-CG1 3.46Å; L269-I273 PolarHBondContact O-N 3.48Å; E270-I273 PolarHBondContact O-N 2.95Å; I273-A275 PolarHBondContact O-N 2.89Å; I273-T276 VanDerWaalsContact O-CB 3.29Å; I273-T276 WeakPolarHBondContact O-CB 3.09Å; I273-T276 PolarHBondContact O-N 2.97Å; I273-T276 VanDerWaalsContact O-N 3.08Å; I273-T276 PolarHBondContact O-OG1 3.17Å
274	S	98.4	Very high	98.3	Very high	89 Å²	89	81.5 Å²	81.5	62%	0.622	44%	0.435	S	S	*	.	H	α-helix	trans	-66.1	-23.8	-179.4	-59.5	0	0	0	0	113	E270 D271 T276	E270-S274 VanDerWaalsContact O-CB 3.26Å; E270-S274 WeakPolarHBondContact O-CB 3.5Å; E270-S274 PolarHBondContact O-N 2.96Å; E270-S274 PolarHBondContact O-OG 3.08Å; D271-S274 PolarHBondContact O-N 3.17Å; S274-T276 PolarHBondContact O-N 3.37Å
275	A	98.2	Very high	98.3	Very high	56 Å²	56	83.2 Å²	83.2	46%	0.463	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	4.4	174.2	0	0	0	0	0	114.2	D271 T272 I273 D277	D271-A275 WeakPolarHBondContact O-CB 3.4Å; D271-A275 PolarHBondContact O-N 3Å; T272-A275 PolarHBondContact O-N 2.96Å; I273-A275 PolarHBondContact O-N 2.89Å; A275-D277 PolarHBondContact O-N 2.79Å
276	T	98.1	Very high	98.3	Very high	50 Å²	50	89.4 Å²	89.4	31%	0.307	46%	0.457	S	S	.	.			trans	-66.2	126.7	173	-54.4	0	0	0	0	110.4	L78 A81 I273 S274	L78-T276 HydrophobicContact CB-CG2 4.01Å; L78-T276 HydrophobicContact CD1-CG2 4.16Å; A81-T276 WeakPolarHBondContact CB-OG1 3.42Å; I273-T276 VanDerWaalsContact O-CB 3.29Å; I273-T276 WeakPolarHBondContact O-CB 3.09Å; I273-T276 PolarHBondContact O-N 2.97Å; I273-T276 VanDerWaalsContact O-N 3.08Å; I273-T276 PolarHBondContact O-OG1 3.17Å; S274-T276 PolarHBondContact O-N 3.37Å
277	D	98.3	Very high	98.3	Very high	74 Å²	74	87.5 Å²	87.5	40%	0.396	46%	0.457	S	S	.	.			trans	-124.7	102.5	-179.6	-171	-23.9	0	0	0	110.4	T77 A275 E279 D280 D281	T77-D277 HydrophobicContact CG2-CB 4.34Å; T77-D277 PolarHBondContact OG1-N 2.86Å; T77-D277 PolarHBondContact OG1-O 2.86Å; A275-D277 PolarHBondContact O-N 2.79Å; D277-E279 VanDerWaalsContact C-N 3.31Å; D277-E279 PolarHBondContact O-N 2.82Å; D277-E279 WeakPolarHBondContact OD1-CA 3.39Å; D277-E279 WeakPolarHBondContact OD1-CB 3.46Å; D277-E279 PolarHBondContact OD1-N 3.18Å; D277-D280 HydrophobicContact CB-CB 4.02Å; D277-D280 PolarHBondContact OD1-N 3.3Å; D277-D281 PolarHBondContact O-N 2.86Å; D277-D281 VanDerWaalsContact O-N 3.15Å
278	A	98.3	Very high	98.2	Very high	66 Å²	66	86.6 Å²	86.6	55%	0.545	46%	0.456	S	S	.	.	H	α-helix	trans	-67.4	-31.1	179.2	0	0	0	0	0	112.7	L282	A278-L282 VanDerWaalsContact O-CB 3.31Å; A278-L282 WeakPolarHBondContact O-CB 3.27Å; A278-L282 WeakPolarHBondContact O-CD1 3.41Å; A278-L282 WeakPolarHBondContact O-CG 3.33Å; A278-L282 PolarHBondContact O-N 3.22Å
279	E	98.3	Very high	98.1	Very high	160 Å²	160	88.6 Å²	88.6	75%	0.748	46%	0.459	S	S	*	.	H	α-helix	trans	-71.3	-42.5	-180	-68.3	-171.8	-179.7	0	0	110.7	D277 K283	D277-E279 VanDerWaalsContact C-N 3.31Å; D277-E279 PolarHBondContact O-N 2.82Å; D277-E279 WeakPolarHBondContact OD1-CA 3.39Å; D277-E279 WeakPolarHBondContact OD1-CB 3.46Å; D277-E279 PolarHBondContact OD1-N 3.18Å; E279-K283 WeakPolarHBondContact O-CB 3.48Å; E279-K283 PolarHBondContact O-N 3.45Å
280	D	98.1	Very high	98	Very high	84 Å²	84	88.4 Å²	88.4	45%	0.449	46%	0.463	S	S	.	.	H	α-helix	trans	-64.2	-45.5	176.9	-162.2	43.1	0	0	0	111.4	D277 L282 K283 W284	D277-D280 HydrophobicContact CB-CB 4.02Å; D277-D280 PolarHBondContact OD1-N 3.3Å; D280-L282 PolarHBondContact O-N 3.14Å; D280-K283 PolarHBondContact O-N 3.47Å; D280-W284 WeakPolarHBondContact O-CB 3.28Å; D280-W284 PolarHBondContact O-N 3.16Å
281	D	98.3	Very high	98	Very high	32 Å²	32	88.3 Å²	88.3	17%	0.171	47%	0.472	C	S	.	.	H	α-helix	trans	-60.4	-46.1	177.2	-76.4	7	0	0	0	111.8	T77 L78 D277 W284 F285	T77-D281 WeakPolarHBondContact CB-OD1 3.29Å; T77-D281 WeakPolarHBondContact CG2-OD1 3.21Å; T77-D281 PolarHBondContact N-OD1 2.94Å; T77-D281 PolarHBondContact N-OD2 2.89Å; T77-D281 VanDerWaalsContact N-OD2 3.14Å; T77-D281 VanDerWaalsContact OG1-CG 3.23Å; T77-D281 PolarHBondContact OG1-OD1 3.46Å; T77-D281 PolarHBondContact OG1-OD2 3.04Å; T77-D281 VanDerWaalsContact OG1-OD2 3.05Å; L78-D281 PolarHBondContact N-OD2 3.05Å; D277-D281 PolarHBondContact O-N 2.86Å; D277-D281 VanDerWaalsContact O-N 3.15Å; D281-W284 PolarHBondContact O-N 3.13Å; D281-F285 PolarHBondContact O-N 3.09Å
282	L	98.3	Very high	97.9	Very high	125 Å²	125	86.1 Å²	86.1	65%	0.654	47%	0.471	S	S	*	.	H	α-helix	trans	-67	-36.8	177.7	-71.9	173.8	0	0	0	112.3	A278 D280 F285 R286	A278-L282 VanDerWaalsContact O-CB 3.31Å; A278-L282 WeakPolarHBondContact O-CB 3.27Å; A278-L282 WeakPolarHBondContact O-CD1 3.41Å; A278-L282 WeakPolarHBondContact O-CG 3.33Å; A278-L282 PolarHBondContact O-N 3.22Å; D280-L282 PolarHBondContact O-N 3.14Å; L282-F285 PolarHBondContact O-N 3.25Å; L282-R286 WeakPolarHBondContact O-CB 3.47Å; L282-R286 PolarHBondContact O-N 3.22Å
283	K	98.3	Very high	97.8	Very high	140 Å²	140	88.6 Å²	88.6	61%	0.609	48%	0.481	S	S	*	.	H	α-helix	trans	-66.7	-42	177	-179.3	-176	176	-170.4	0	111.3	E279 D280 R286 S287	E279-K283 WeakPolarHBondContact O-CB 3.48Å; E279-K283 PolarHBondContact O-N 3.45Å; D280-K283 PolarHBondContact O-N 3.47Å; K283-R286 PolarHBondContact O-N 3.36Å; K283-S287 WeakPolarHBondContact O-CB 3.46Å; K283-S287 PolarHBondContact O-N 3.37Å; K283-S287 VanDerWaalsContact O-N 3.11Å; K283-S287 PolarHBondContact O-OG 3Å
284	W	98.3	Very high	97.6	Very high	119 Å²	119	91 Å²	91	45%	0.451	50%	0.501	S	S	.	.	H	α-helix	trans	-58.3	-51.3	172.5	179.3	89.5	0	0	0	110.4	D280 D281 R286 S287 N288 H289	D280-W284 WeakPolarHBondContact O-CB 3.28Å; D280-W284 PolarHBondContact O-N 3.16Å; D281-W284 PolarHBondContact O-N 3.13Å; W284-R286 PolarHBondContact O-N 2.94Å; W284-S287 PolarHBondContact O-N 3.46Å; W284-S287 VanDerWaalsContact O-N 3.11Å; W284-N288 HydrophobicContact CZ2-CB 4.5Å; W284-N288 WeakPolarHBondContact O-CB 3.37Å; W284-N288 PolarHBondContact O-N 3.48Å; W284-N288 PolarHBondContact O-OD1 2.99Å; W284-N288 VanDerWaalsContact O-OD1 3.09Å; W284-H289 AromaticContact CH2-NE2 3.83Å
285	F	98.1	Very high	97.5	Very high	116 Å²	116	91.8 Å²	91.8	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-44.4	-179.9	-170.2	-94.6	0	0	0	112.6	D281 L282 S287 N288 H289 G290	D281-F285 PolarHBondContact O-N 3.09Å; L282-F285 PolarHBondContact O-N 3.25Å; F285-S287 PolarHBondContact O-N 2.95Å; F285-N288 PolarHBondContact O-N 3.46Å; F285-H289 HydrophobicContact CD2-CB 4.14Å; F285-H289 HydrophobicContact CE1-CB 4.23Å; F285-H289 HydrophobicContact CE2-CB 3.83Å; F285-H289 HydrophobicContact CG-CB 4.48Å; F285-H289 HydrophobicContact CZ-CB 3.88Å; F285-H289 CarbonylContact O-C 3.6Å; F285-H289 WeakPolarHBondContact O-CA 3.45Å; F285-H289 PolarHBondContact O-N 3.5Å; F285-G290 PolarHBondContact O-N 2.99Å
286	R	97.9	Very high	97.3	Very high	150 Å²	150	96.5 Å²	96.5	57%	0.566	51%	0.514	S	S	*	.	H	α-helix	trans	-57.7	-39	176.6	-177.1	-176.5	-175.9	86.3	1.7	112.2	L282 K283 W284 G290 G292	L282-R286 WeakPolarHBondContact O-CB 3.47Å; L282-R286 PolarHBondContact O-N 3.22Å; K283-R286 PolarHBondContact O-N 3.36Å; W284-R286 PolarHBondContact O-N 2.94Å; R286-G290 CarbonylContact O-C 3.56Å; R286-G290 VanDerWaalsContact O-CA 3.22Å; R286-G290 WeakPolarHBondContact O-CA 3.46Å; R286-G290 PolarHBondContact O-N 2.93Å; R286-G292 WeakPolarHBondContact O-CA 3.32Å; R286-G292 PolarHBondContact O-N 3.36Å
287	S	97.7	Very high	97	Very high	54 Å²	54	103.1 Å²	103.1	38%	0.378	53%	0.533	S	S	.	.	H	α-helix	trans	-77.9	-36.3	-175.8	-55.3	0	0	0	0	112.2	K283 W284 F285 M293	K283-S287 WeakPolarHBondContact O-CB 3.46Å; K283-S287 PolarHBondContact O-N 3.37Å; K283-S287 VanDerWaalsContact O-N 3.11Å; K283-S287 PolarHBondContact O-OG 3Å; W284-S287 PolarHBondContact O-N 3.46Å; W284-S287 VanDerWaalsContact O-N 3.11Å; F285-S287 PolarHBondContact O-N 2.95Å; S287-M293 WeakPolarHBondContact O-CG 3.26Å
288	N	97.4	Very high	96.8	Very high	76 Å²	76	105.3 Å²	105.3	41%	0.406	55%	0.552	S	S	.	*	H	α-helix	trans	-97.4	-25.4	-172.5	-72.2	69	0	0	0	114.2	W284 F285 M293	W284-N288 HydrophobicContact CZ2-CB 4.5Å; W284-N288 WeakPolarHBondContact O-CB 3.37Å; W284-N288 PolarHBondContact O-N 3.48Å; W284-N288 PolarHBondContact O-OD1 2.99Å; W284-N288 VanDerWaalsContact O-OD1 3.09Å; F285-N288 PolarHBondContact O-N 3.46Å; N288-M293 WeakPolarHBondContact O-CE 3.4Å
289	H	96.6	Very high	96.4	Very high	117 Å²	117	110.2 Å²	110.2	54%	0.542	56%	0.563	S	S	.	*	H	α-helix	trans	-136	3	-174.1	-63.2	-71.3	0	0	0	113.6	W284 F285	W284-H289 AromaticContact CH2-NE2 3.83Å; F285-H289 HydrophobicContact CD2-CB 4.14Å; F285-H289 HydrophobicContact CE1-CB 4.23Å; F285-H289 HydrophobicContact CE2-CB 3.83Å; F285-H289 HydrophobicContact CG-CB 4.48Å; F285-H289 HydrophobicContact CZ-CB 3.88Å; F285-H289 CarbonylContact O-C 3.6Å; F285-H289 WeakPolarHBondContact O-CA 3.45Å; F285-H289 PolarHBondContact O-N 3.5Å
290	G	95.8	Very high	95.7	Very high	21 Å²	21	110.9 Å²	110.9	22%	0.216	56%	0.564	C	S	.	*	S	Bend	trans	-128.3	-159.5	-173.4	0	0	0	0	0	114.3	F285 R286 G292 M293	F285-G290 PolarHBondContact O-N 2.99Å; R286-G290 CarbonylContact O-C 3.56Å; R286-G290 VanDerWaalsContact O-CA 3.22Å; R286-G290 WeakPolarHBondContact O-CA 3.46Å; R286-G290 PolarHBondContact O-N 2.93Å; G290-G292 PolarHBondContact O-N 3.15Å; G290-M293 WeakPolarHBondContact O-CG 3.24Å; G290-M293 PolarHBondContact O-N 3.23Å
291	P	97.6	Very high	95.1	Very high	107 Å²	107	115.5 Å²	115.5	70%	0.695	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	-10.1	-178.2	-26.3	35.2	0	0	0	116	M293	P291-M293 VanDerWaalsContact C-N 3.34Å
292	G	96.2	Very high	94.2	Very high	45 Å²	45	120.3 Å²	120.3	46%	0.464	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.1	-11.1	175.3	0	0	0	0	0	114.1	R286 G290	R286-G292 WeakPolarHBondContact O-CA 3.32Å; R286-G292 PolarHBondContact O-N 3.36Å; G290-G292 PolarHBondContact O-N 3.15Å
293	M	97.3	Very high	92.6	Very high	100 Å²	100	121.2 Å²	121.2	49%	0.493	61%	0.613	S	S	.	*	S	Bend	trans	-66.8	142.6	177	-66.6	-178.1	77.8	0	0	111.4	S287 N288 G290 P291 M295	S287-M293 WeakPolarHBondContact O-CG 3.26Å; N288-M293 WeakPolarHBondContact O-CE 3.4Å; G290-M293 WeakPolarHBondContact O-CG 3.24Å; G290-M293 PolarHBondContact O-N 3.23Å; P291-M293 VanDerWaalsContact C-N 3.34Å; M293-M295 PolarHBondContact O-N 2.99Å
294	P	95.3	Very high	90.7	Very high	130 Å²	130	119.3 Å²	119.3	84%	0.844	61%	0.61	S	S	*	*			trans	-65.2	136	175.2	27.8	-34	0	0	0	110.7
295	M	95.1	Very high	88.8	Confident	106 Å²	106	124.4 Å²	124.4	52%	0.522	63%	0.629	S	S	.	*			trans	-121.1	125	175.1	-179.4	57.6	-176.5	0	0	110.3	M293 W297	M293-M295 PolarHBondContact O-N 2.99Å; M295-W297 VanDerWaalsContact C-N 3.3Å; M295-W297 HydrophobicContact CB-CD2 4.3Å; M295-W297 HydrophobicContact CB-CZ2 4Å; M295-W297 HydrophobicContact CE-CE3 4.37Å; M295-W297 HydrophobicContact CG-CD2 3.61Å; M295-W297 HydrophobicContact CG-CE3 3.86Å; M295-W297 HydrophobicContact CG-CG 4.13Å; M295-W297 HydrophobicContact CG-CH2 4.04Å; M295-W297 HydrophobicContact CG-CZ2 3.79Å; M295-W297 HydrophobicContact CG-CZ3 4.07Å; M295-W297 PolarHBondContact O-N 2.8Å; M295-W297 VanDerWaalsContact O-N 3.07Å
296	N	93.6	Very high	86.9	Confident	155 Å²	155	123.4 Å²	123.4	83%	0.829	64%	0.636	S	S	*	*			trans	-82	82.1	169.8	-66.7	-34	0	0	0	108.4
297	W	92.9	Very high	84.5	Confident	188 Å²	188	124 Å²	124	71%	0.712	64%	0.643	S	S	*	*			trans	-57.7	141.1	178.5	-63.9	106	0	0	0	110.9	M295 Q299	M295-W297 VanDerWaalsContact C-N 3.3Å; M295-W297 HydrophobicContact CB-CD2 4.3Å; M295-W297 HydrophobicContact CB-CZ2 4Å; M295-W297 HydrophobicContact CE-CE3 4.37Å; M295-W297 HydrophobicContact CG-CD2 3.61Å; M295-W297 HydrophobicContact CG-CE3 3.86Å; M295-W297 HydrophobicContact CG-CG 4.13Å; M295-W297 HydrophobicContact CG-CH2 4.04Å; M295-W297 HydrophobicContact CG-CZ2 3.79Å; M295-W297 HydrophobicContact CG-CZ3 4.07Å; M295-W297 PolarHBondContact O-N 2.8Å; M295-W297 VanDerWaalsContact O-N 3.07Å; W297-Q299 PolarHBondContact O-N 3.07Å
298	P	92.9	Very high	82.2	Confident	120 Å²	120	127.3 Å²	127.3	78%	0.779	66%	0.663	S	S	*	*			trans	-53.5	125.2	179.9	-27.4	35.1	0	0	0	111.9
299	Q	90	Very high	80	Confident	169 Å²	169	133 Å²	133	79%	0.79	68%	0.679	S	S	*	*			trans	-118.5	162.5	173.5	-66.1	-171	-5.4	0	0	109.7	W297 E301	W297-Q299 PolarHBondContact O-N 3.07Å; Q299-E301 PolarHBondContact O-N 3.45Å
300	F	84.9	Confident	77.8	Confident	175 Å²	175	133.3 Å²	133.3	77%	0.768	69%	0.694	S	S	*	*			trans	-65.3	118.2	177.1	177.6	-100.8	0	0	0	110.8	N302	F300-N302 HydrophobicContact CE1-CB 4.34Å; F300-N302 WeakPolarHBondContact CE1-OD1 3.3Å
301	E	85.2	Confident	75.4	Confident	180 Å²	180	139.7 Å²	139.7	84%	0.841	72%	0.716	S	S	*	*			trans	-96.2	115.2	177.8	-66.7	-178.6	-167.3	0	0	110.7	Q299	Q299-E301 PolarHBondContact O-N 3.45Å
302	N	78.1	Confident	72.9	Confident	134 Å²	134	144.6 Å²	144.6	72%	0.717	73%	0.727	S	S	*	*			trans	-81.6	124.9	176.5	-112.2	-30.3	0	0	0	110.6	F300 D304	F300-N302 HydrophobicContact CE1-CB 4.34Å; F300-N302 WeakPolarHBondContact CE1-OD1 3.3Å; N302-D304 VanDerWaalsContact C-N 3.28Å; N302-D304 PolarHBondContact O-N 3.37Å
303	L	64.7	Low	70.5	Confident	144 Å²	144	152.5 Å²	152.5	75%	0.754	74%	0.742	S	S	*	*			trans	-78.7	75.8	178.1	-155.3	93.3	0	0	0	110.6	R305	L303-R305 PolarHBondContact O-N 3.31Å; L303-R305 VanDerWaalsContact O-N 3.11Å
304	D	58.6	Low	68.1	Low	100 Å²	100	157.5 Å²	157.5	54%	0.535	76%	0.756	S	S	.	*			trans	-67.6	108.3	174.3	-172.5	-2.7	0	0	0	110.2	N302 S306	N302-D304 VanDerWaalsContact C-N 3.28Å; N302-D304 PolarHBondContact O-N 3.37Å; D304-S306 VanDerWaalsContact CG-OG 3.26Å; D304-S306 PolarHBondContact O-N 2.95Å; D304-S306 WeakPolarHBondContact OD1-CB 3.3Å; D304-S306 PolarHBondContact OD1-N 3.43Å; D304-S306 PolarHBondContact OD1-OG 2.88Å; D304-S306 PolarHBondContact OD2-OG 3.22Å
305	R	59.5	Low	65.9	Low	226 Å²	226	154.2 Å²	154.2	85%	0.853	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	0.6	179.8	-80.3	-175.7	168.9	-139.9	2.3	113.8	L303	L303-R305 PolarHBondContact O-N 3.31Å; L303-R305 VanDerWaalsContact O-N 3.11Å
306	S	57	Low	63.8	Low	94 Å²	94	156.5 Å²	156.5	66%	0.657	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-5.5	-174.2	70.8	0	0	0	0	115.5	D304	D304-S306 VanDerWaalsContact CG-OG 3.26Å; D304-S306 PolarHBondContact O-N 2.95Å; D304-S306 WeakPolarHBondContact OD1-CB 3.3Å; D304-S306 PolarHBondContact OD1-N 3.43Å; D304-S306 PolarHBondContact OD1-OG 2.88Å; D304-S306 PolarHBondContact OD2-OG 3.22Å
307	K	48.9	Very low	61.6	Low	162 Å²	162	153.9 Å²	153.9	70%	0.704	74%	0.738	S	S	*	*	S	Bend	trans	-93.3	132.8	172.7	-69	-175.9	-179.2	178	0	111.7	R309	K307-R309 PolarHBondContact O-N 2.9Å
308	P	47.6	Very low	59.5	Low	125 Å²	125	148.6 Å²	148.6	81%	0.812	72%	0.724	S	S	*	*			trans	-62.8	127.9	174.1	25	-30.3	0	0	0	109.7	S310	P308-S310 PolarHBondContact O-N 2.86Å; P308-S310 VanDerWaalsContact O-N 3.12Å
309	R	52.8	Low	57.3	Low	196 Å²	196	153.2 Å²	153.2	74%	0.74	73%	0.726	S	S	*	*			trans	-64.5	105.7	-178.2	-73.8	176.7	161.8	168.7	-4.7	111.2	K307 F311	K307-R309 PolarHBondContact O-N 2.9Å; R309-F311 VanDerWaalsContact C-N 3.25Å; R309-F311 HydrophobicContact CB-CB 4.45Å; R309-F311 PolarHBondContact O-N 3.08Å
310	S	49.2	Very low	55.3	Low	122 Å²	122	149.4 Å²	149.4	85%	0.853	72%	0.718	S	S	*	*			trans	-89.7	68.3	144.9	51.9	0	0	0	0	108.8	P308	P308-S310 PolarHBondContact O-N 2.86Å; P308-S310 VanDerWaalsContact O-N 3.12Å
311	F	46.5	Very low	53.7	Low	156 Å²	156	145.3 Å²	145.3	68%	0.684	71%	0.707	S	S	*	*			trans	-115.6	107.9	173.4	-103.5	-89.2	0	0	0	110.1	R309 R313	R309-F311 VanDerWaalsContact C-N 3.25Å; R309-F311 HydrophobicContact CB-CB 4.45Å; R309-F311 PolarHBondContact O-N 3.08Å; F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 2.97Å; F311-R313 VanDerWaalsContact O-N 3.16Å
312	K	45	Very low	52	Low	210 Å²	210	141.5 Å²	141.5	91%	0.913	69%	0.692	S	S	*	*			trans	-58.1	106.2	135.7	-101.8	178.2	176.5	174.9	0	105.2	R314	K312-R314 PolarHBondContact O-N 2.95Å; K312-R314 VanDerWaalsContact O-N 3.14Å
313	R	45.7	Very low	50.7	Low	210 Å²	210	140.9 Å²	140.9	79%	0.792	69%	0.689	S	S	*	*			trans	-55	117.7	174.3	-80.3	-176.7	-171.7	-176.8	3.6	108.7	F311	F311-R313 VanDerWaalsContact C-N 3.33Å; F311-R313 PolarHBondContact O-N 2.97Å; F311-R313 VanDerWaalsContact O-N 3.16Å
314	R	47	Very low	49.9	Very low	205 Å²	205	139.9 Å²	139.9	77%	0.774	68%	0.684	S	S	*	*			trans	-106.9	112.7	143.3	-140.8	151.7	-139.2	157	5.1	106.5	K312 D318	K312-R314 PolarHBondContact O-N 2.95Å; K312-R314 VanDerWaalsContact O-N 3.14Å; R314-D318 HydrophobicContact CG-CB 4.37Å; R314-D318 VanDerWaalsContact CG-OD2 3.3Å; R314-D318 WeakPolarHBondContact CG-OD2 3.37Å; R314-D318 IonicContact NE-OD2 3.58Å
315	S	49	Very low	49.6	Very low	62 Å²	62	144.2 Å²	144.2	43%	0.434	69%	0.693	S	S	.	*			trans	-69.6	146.5	-172.8	177.2	0	0	0	0	109.8	V317 D318	S315-V317 PolarHBondContact O-N 3.31Å; S315-V317 WeakPolarHBondContact OG-CG2 3.06Å; S315-V317 PolarHBondContact OG-N 3.47Å; S315-D318 WeakPolarHBondContact O-CB 3.32Å; S315-D318 PolarHBondContact O-N 3.04Å
316	I	50	Low	49	Very low	153 Å²	153	139 Å²	139	79%	0.785	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-4.2	173.4	-147.5	160.3	0	0	0	113.1
317	V	48.6	Very low	48.5	Very low	101 Å²	101	141.6 Å²	141.6	61%	0.612	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-15.5	172.9	-165.4	0	0	0	0	112.2	S315	S315-V317 PolarHBondContact O-N 3.31Å; S315-V317 WeakPolarHBondContact OG-CG2 3.06Å; S315-V317 PolarHBondContact OG-N 3.47Å
318	D	47.8	Very low	48.4	Very low	77 Å²	77	139 Å²	139	41%	0.412	70%	0.695	S	S	.	*	S	Bend	trans	-76.4	-27.7	177.7	-105.1	-3.6	0	0	0	112.8	R314 S315 S320 V321	R314-D318 HydrophobicContact CG-CB 4.37Å; R314-D318 VanDerWaalsContact CG-OD2 3.3Å; R314-D318 WeakPolarHBondContact CG-OD2 3.37Å; R314-D318 IonicContact NE-OD2 3.58Å; S315-D318 WeakPolarHBondContact O-CB 3.32Å; S315-D318 PolarHBondContact O-N 3.04Å; D318-S320 VanDerWaalsContact C-N 3.34Å; D318-S320 PolarHBondContact O-N 3.42Å; D318-V321 PolarHBondContact O-N 3.43Å
319	W	46.4	Very low	48.4	Very low	217 Å²	217	143.7 Å²	143.7	82%	0.822	70%	0.696	S	S	*	*	H	α-helix	trans	-70.7	-25.4	-176.3	-81.5	80.9	0	0	0	114.1
320	S	49.6	Very low	47.9	Very low	88 Å²	88	146.3 Å²	146.3	62%	0.615	71%	0.706	S	S	*	*	H	α-helix	trans	-87	-10.7	-179.9	-69.7	0	0	0	0	114.1	D318	D318-S320 VanDerWaalsContact C-N 3.34Å; D318-S320 PolarHBondContact O-N 3.42Å
321	V	50.6	Low	47.3	Very low	89 Å²	89	147.8 Å²	147.8	54%	0.539	70%	0.699	S	S	.	*	H	α-helix	trans	-91.4	-37	-177.9	-177.7	0	0	0	0	111.5	D318 R325	D318-V321 PolarHBondContact O-N 3.43Å; V321-R325 PolarHBondContact O-N 3.03Å
322	D	49.8	Very low	46.9	Very low	100 Å²	100	147.9 Å²	147.9	54%	0.535	70%	0.7	S	S	.	*	H	α-helix	trans	-81.5	-22.9	-178	-79.4	-26	0	0	0	114.5	N324 R325 T326	D322-N324 VanDerWaalsContact C-N 3.3Å; D322-N324 PolarHBondContact O-N 2.89Å; D322-R325 PolarHBondContact O-N 3.25Å; D322-T326 PolarHBondContact O-N 2.92Å; D322-T326 PolarHBondContact O-OG1 3.45Å
323	L	49.7	Very low	46.3	Very low	122 Å²	122	147.8 Å²	147.8	64%	0.639	70%	0.699	S	S	*	*	H	α-helix	trans	-69.1	-30	172.7	-151.2	76.8	0	0	0	112
324	N	48	Very low	46.1	Very low	122 Å²	122	146 Å²	146	65%	0.652	70%	0.697	S	S	*	*	H	α-helix	trans	-86.1	-16	176.7	-80.5	-20.2	0	0	0	113.5	D322	D322-N324 VanDerWaalsContact C-N 3.3Å; D322-N324 PolarHBondContact O-N 2.89Å
325	R	53.8	Low	45.4	Very low	191 Å²	191	142.1 Å²	142.1	72%	0.721	70%	0.698	S	S	*	*	H	α-helix	trans	-89	-29.7	179.5	-126.2	178.6	-178.1	-162.3	0.3	113.5	V321 D322	V321-R325 PolarHBondContact O-N 3.03Å; D322-R325 PolarHBondContact O-N 3.25Å
326	T	46.2	Very low	44.7	Very low	117 Å²	117	143.9 Å²	143.9	72%	0.718	71%	0.711	S	S	*	*	H	α-helix	trans	-81.1	-19.1	178.6	40.7	0	0	0	0	113.7	D322	D322-T326 PolarHBondContact O-N 2.92Å; D322-T326 PolarHBondContact O-OG1 3.45Å
327	L	46.6	Very low	43.8	Very low	148 Å²	148	145.3 Å²	145.3	78%	0.775	71%	0.714	S	S	*	*	S	Bend	trans	-89.9	-10.1	173.6	-71	171.4	0	0	0	114.6
328	S	47.5	Very low	43.2	Very low	109 Å²	109	144 Å²	144	76%	0.762	72%	0.721	S	S	*	*	S	Bend	trans	-119.7	14.7	-173.2	-97.8	0	0	0	0	115.7
329	R	46.8	Very low	42.4	Very low	223 Å²	223	146.6 Å²	146.6	84%	0.842	74%	0.739	S	S	*	*			trans	-140.3	74.7	174.6	-155	177.3	-170.9	-138.5	2.7	113.5
330	R	42.8	Very low	41.7	Very low	250 Å²	250	142.9 Å²	142.9	94%	0.943	74%	0.741	S	S	*	*			trans	-150.7	65.7	144.1	-140.8	171.1	-178.5	154.9	-1.2	112.7
331	E	35.3	Very low	40.8	Very low	153 Å²	153	145.9 Å²	145.9	72%	0.715	75%	0.749	S	S	*	*			trans	-138.9	134.5	150.3	-78.3	-153.2	144.1	0	0	105.5
332	K	39.4	Very low	39.9	Very low	159 Å²	159	147.5 Å²	147.5	69%	0.691	76%	0.76	S	S	*	*			cis	-157.1	156.2	0.6	-88.8	160	178.5	135.1	0	105
333	K	32.4	Very low	38.9	Very low	207 Å²	207	146.8 Å²	146.8	90%	0.9	77%	0.767	S	S	*	*				-170.8	152.4	78.6	-99.1	-176.5	175	179.4	0	112.3
334	K	40.4	Very low	38.1	Very low	173 Å²	173	148.2 Å²	148.2	75%	0.752	77%	0.774	S	S	*	*			trans	-75.7	-177.2	-166.2	-57.2	179.9	166.9	-172.3	0	115.3
335	P	32.6	Very low	37.1	Very low	123 Å²	123	148.4 Å²	148.4	80%	0.799	79%	0.785	S	S	*	*				-119.2	145.4	103.5	33	-25.5	0	0	0	114.3
336	S	35.1	Very low	36	Very low	100 Å²	100	147.5 Å²	147.5	70%	0.699	79%	0.789	S	S	*	*			trans	4.3	118.7	159.8	53.1	0	0	0	0	119.7
337	E	30.6	Very low	35.3	Very low	183 Å²	183	148.3 Å²	148.3	86%	0.855	79%	0.794	S	S	*	*				-165.6	144.9	107.1	-104.3	175.3	-178.6	0	0	109.6
338	G	36.8	Very low	34.4	Very low	73 Å²	73	144.5 Å²	144.5	75%	0.753	79%	0.79	S	S	*	*			trans	-90.8	122.7	-171.3	0	0	0	0	0	111.5
339	V	30.9	Very low	33.5	Very low	131 Å²	131	144.5 Å²	144.5	79%	0.794	79%	0.79	S	S	*	*			trans	-138.4	117.6	156.3	-179.7	0	0	0	0	107.8
340	T	31.3	Very low	32.7	Very low	140 Å²	140	141.8 Å²	141.8	86%	0.859	79%	0.792	S	S	*	*			trans	-100.7	116.5	173.8	-18	0	0	0	0	107.3
341	L	29.9	Very low	32	Very low	150 Å²	150	138.7 Å²	138.7	79%	0.785	79%	0.788	S	S	*	*			trans	-132.4	109.4	159.5	-78.5	177.4	0	0	0	110
342	T	32.2	Very low	32.7	Very low	124 Å²	124	136.1 Å²	136.1	76%	0.761	79%	0.785	S	S	*	*			trans	15.1	125.6	134.8	40.2	0	0	0	0	119.5
343	A	28.5	Very low	32.2	Very low	84 Å²	84	135 Å²	135	69%	0.694	79%	0.791	S	S	*	*				-171.5	111.9	120.2	0	0	0	0	0	111
344	I	32.5	Very low	32	Very low	152 Å²	152	133.5 Å²	133.5	78%	0.779	79%	0.788	S	S	*	*				84.8	121.4	101.6	-63.2	158.1	0	0	0	114.4
345	S	28.7	Very low	32.1	Very low	126 Å²	126	130.4 Å²	130.4	88%	0.881	79%	0.785	S	S	*	*			trans	-135.1	129.3	148.1	-76	0	0	0	0	109.2
346	Q	30.3	Very low	31.9	Very low	172 Å²	172	128.8 Å²	128.8	80%	0.804	78%	0.782	S	S	*	*			trans	-69.4	159.3	174.6	-53.3	167.7	-27.7	0	0	109.1
347	T	31.1	Very low	31.6	Very low	135 Å²	135	133.1 Å²	133.1	83%	0.828	79%	0.788	S	S	*	*			cis	-170.1	159.5	39.1	40.4	0	0	0	0	108.3
348	G	27.5	Very low	31.5	Very low	67 Å²	67	129.4 Å²	129.4	69%	0.691	78%	0.782	S	S	*	*			trans	137	94.6	147.3	0	0	0	0	0	119.7
349	S	28.7	Very low	31.1	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	78%	0.779	S	S	*	*			trans	71.6	123.8	143.2	57.8	0	0	0	0	124
350	D	30.3	Very low	31	Very low	166 Å²	166	129.2 Å²	129.2	89%	0.888	78%	0.775	S	S	*	*			trans	87.4	123.8	139.6	-61.1	-19	0	0	0	123.4
351	Q	27.6	Very low	30.8	Very low	184 Å²	184	127.2 Å²	127.2	86%	0.86	77%	0.767	S	S	*	*			trans	-69.6	-176.2	178.5	-95.3	-169.9	-0.8	0	0	114.9
352	P	49	Very low	30.7	Very low	100 Å²	100	127.1 Å²	127.1	65%	0.649	77%	0.767	S	S	*	*			cis	-136.4	-170.1	-27.5	29.9	-7.6	0	0	0	113.3
353	V	29.9	Very low	30.5	Very low	135 Å²	135	128.9 Å²	128.9	82%	0.818	77%	0.772	S	S	*	*			trans	123.7	121.1	147.4	-176.7	0	0	0	0	116.1
354	Q	27.5	Very low	30.5	Very low	176 Å²	176	131.2 Å²	131.2	82%	0.822	78%	0.777	S	S	*	*			trans	-82.5	-168.4	168.9	-54.3	-163.1	-14	0	0	111.3
355	P	43.5	Very low	30.2	Very low	108 Å²	108	128.7 Å²	128.7	70%	0.701	78%	0.779	S	S	*	*			cis	-141.4	174.6	-4.4	37.1	-15.2	0	0	0	117.3
356	A	28.1	Very low	30.2	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	78%	0.775	S	S	*	*			trans	63.6	131.9	144.1	0	0	0	0	0	121.5
357	K	29.7	Very low	30.1	Very low	191 Å²	191	130.6 Å²	130.6	83%	0.83	78%	0.78	S	S	*	*				173.7	138.7	102.6	-93.7	176.2	-177	179.9	0	113.7
358	S	27.2	Very low	30.1	Very low	105 Å²	105	131 Å²	131	73%	0.734	78%	0.782	S	S	*	*			trans	55.5	140.9	137.5	65.5	0	0	0	0	120.1
359	S	28.6	Very low	30.3	Very low	97 Å²	97	136 Å²	136	68%	0.678	79%	0.788	S	S	*	*			cis	175	154.5	3.3	42.8	0	0	0	0	107.7
360	S	28	Very low	30.5	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	79%	0.79	S	S	*	*			trans	57.9	142	139.7	60.8	0	0	0	0	120.3
361	S	28.6	Very low	30.6	Very low	99 Å²	99	135 Å²	135	69%	0.692	79%	0.785	S	S	*	*			cis	-177	146.7	0.2	-88.8	0	0	0	0	107.8
362	L	27.3	Very low	30.6	Very low	148 Å²	148	129.5 Å²	129.5	78%	0.775	78%	0.777	S	S	*	*			trans	55	117.5	141.9	-58.8	166.3	0	0	0	120.6
363	N	28.6	Very low	29.8	Very low	161 Å²	161	131 Å²	131	86%	0.861	79%	0.785	S	S	*	*				-172	138.1	99.6	-91.9	-19.2	0	0	0	112.3
364	V	27.1	Very low	30	Very low	132 Å²	132	132.4 Å²	132.4	80%	0.8	79%	0.788	S	S	*	*			trans	-85.6	135.8	177	168.6	0	0	0	0	109.8
365	A	26.5	Very low	30.3	Very low	100 Å²	100	128.9 Å²	128.9	83%	0.826	78%	0.78	S	S	*	*			trans	-147.2	111.6	152.1	0	0	0	0	0	108.8
366	T	29.3	Very low	29.6	Very low	130 Å²	130	133.5 Å²	133.5	80%	0.798	79%	0.789	S	S	*	*			trans	-77.3	121.6	175.7	33.2	0	0	0	0	111.1
367	K	28.3	Very low	29.7	Very low	207 Å²	207	137.5 Å²	137.5	90%	0.9	79%	0.793	S	S	*	*			trans	-143.4	119.4	152.8	-82.3	-168.6	175.8	-173.8	0	108.1
368	T	31.4	Very low	29.9	Very low	143 Å²	143	134.8 Å²	134.8	88%	0.877	79%	0.787	S	S	*	*			trans	-101.3	123.2	173.8	40.3	0	0	0	0	108.9
369	E	31.5	Very low	30.1	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	79%	0.786	S	S	*	*			trans	-114.1	148.3	157.6	-69	-148.6	169.4	0	0	108.9
370	P	33	Very low	30.2	Very low	127 Å²	127	138.7 Å²	138.7	83%	0.825	79%	0.793	S	S	*	*			trans	-121.6	124	154.6	33.8	-18.9	0	0	0	110.7
371	V	30.9	Very low	30.5	Very low	128 Å²	128	142.5 Å²	142.5	78%	0.776	80%	0.799	S	S	*	*			trans	-128	116.2	161.4	172.7	0	0	0	0	105
372	G	29.2	Very low	30.4	Very low	67 Å²	67	147.5 Å²	147.5	69%	0.691	81%	0.811	S	S	*	*				98.6	144.7	98	0	0	0	0	0	108.1
373	T	31.8	Very low	30.5	Very low	133 Å²	133	149.1 Å²	149.1	82%	0.816	82%	0.815	S	S	*	*			cis	-169.4	146.2	30.7	32	0	0	0	0	109
374	N	34.4	Very low	30.4	Very low	164 Å²	164	150 Å²	150	88%	0.877	81%	0.814	S	S	*	*			trans	-59.6	145.9	157.6	-82.8	-20.2	0	0	0	111
375	P	33.7	Very low	30.3	Very low	101 Å²	101	152.1 Å²	152.1	66%	0.656	82%	0.815	S	S	*	*			trans	-118.6	145.7	162.9	36	-23	0	0	0	112.7
376	F	27.5	Very low	30.2	Very low	205 Å²	205	155.5 Å²	155.5	90%	0.899	82%	0.816	S	S	*	*			trans	102.2	83.5	167	-57.9	-72.5	0	0	0	116.8
377	E	31.3	Very low	30.1	Very low	173 Å²	173	153.9 Å²	153.9	81%	0.808	82%	0.816	S	S	*	*			trans	-82.8	167.5	139.7	-69.7	177.8	136.9	0	0	110.6
378	D	33.5	Very low	29.9	Very low	133 Å²	133	153 Å²	153	71%	0.711	82%	0.815	S	S	*	*			trans	107.5	106.6	156.1	-58.3	-14.7	0	0	0	119
379	D	32.1	Very low	29.7	Very low	134 Å²	134	154.7 Å²	154.7	72%	0.717	81%	0.813	S	S	*	*				64.3	119.2	122.6	-64.2	-9.9	0	0	0	120
380	D	30.6	Very low	29.3	Very low	151 Å²	151	153.6 Å²	153.6	81%	0.807	81%	0.807	S	S	*	*				170.7	153.2	78.6	-107.4	-33.7	0	0	0	111.3
381	E	33.5	Very low	29	Very low	183 Å²	183	154.9 Å²	154.9	86%	0.855	80%	0.802	S	S	*	*			trans	-65.3	153.2	172.7	-61.2	177.6	152.3	0	0	112.7
382	E	27.8	Very low	28.6	Very low	203 Å²	203	154 Å²	154	95%	0.949	80%	0.798	S	S	*	*			trans	-167.2	143.8	138.2	-109.9	172.6	-161.1	0	0	112.7
383	Q	28.1	Very low	28.5	Very low	182 Å²	182	156.9 Å²	156.9	85%	0.85	80%	0.802	S	S	*	*			trans	-85.6	167.5	-179.7	-64.6	168.4	-1.3	0	0	111.9
384	E	26.7	Very low	28.2	Very low	180 Å²	180	156.2 Å²	156.2	84%	0.841	80%	0.798	S	S	*	*			trans	154.9	112	140.6	-87.1	-179.9	-177.6	0	0	109.3
385	E	26.1	Very low	27.9	Very low	177 Å²	177	156.4 Å²	156.4	83%	0.827	80%	0.798	S	S	*	*				60.5	119.4	98	-77.9	-159.6	171	0	0	116
386	M	23.6	Very low	27.5	Very low	171 Å²	171	158.9 Å²	158.9	84%	0.842	80%	0.801	S	S	*	*				167.2	130	110	-89.5	-139.2	-68.3	0	0	114.2
387	A	26.3	Very low	27.4	Very low	96 Å²	96	156.2 Å²	156.2	79%	0.793	80%	0.801	S	S	*	*				72.9	143.6	126.1	0	0	0	0	0	123.2
388	E	24.5	Very low	27.1	Very low	187 Å²	187	151.2 Å²	151.2	87%	0.874	79%	0.786	S	S	*	*			trans	-81.2	165.4	-168.5	-58.4	168.5	134.5	0	0	114.9
389	E	26.6	Very low	26.7	Very low	179 Å²	179	150.7 Å²	150.7	84%	0.836	79%	0.787	S	S	*	*			trans	154.4	142.2	133.5	-90.3	-172.9	-179.7	0	0	109.5
390	E	25.1	Very low	26.4	Very low	151 Å²	151	151.9 Å²	151.9	71%	0.706	79%	0.793	S	S	*	*			cis	-174.5	169.9	-10.5	-156.4	-165.6	-158	0	0	107.1
391	Q	26.3	Very low	26.2	Very low	154 Å²	154	153.8 Å²	153.8	72%	0.72	79%	0.794	S	S	*	*			trans	91.7	135.1	159.2	-56.6	-171.5	1	0	0	119.1
392	T	22.3	Very low	25.8	Very low	110 Å²	110	153.5 Å²	153.5	68%	0.675	79%	0.793	S	S	*	*			cis	-167.7	144.8	-6.3	23.6	0	0	0	0	107.1
393	T	26	Very low	25.5	Very low	127 Å²	127	151.6 Å²	151.6	78%	0.779	78%	0.784	S	S	*	*				160.2	108.1	110.9	52.7	0	0	0	0	113.5
394	V	26	Very low	25.4	Very low	120 Å²	120	149 Å²	149	73%	0.727	77%	0.774	S	S	*	*				42.7	114	126.8	-160.8	0	0	0	0	120.1
395	N	28.7	Very low	25.2	Very low	167 Å²	167	149.3 Å²	149.3	89%	0.893	77%	0.773	S	S	*	*				-166.6	136.9	109.9	-98.9	-33.7	0	0	0	112.6
396	H	25	Very low	25	Very low	153 Å²	153	146 Å²	146	71%	0.708	77%	0.765	S	S	*	*			trans	-117.4	125.4	-163.6	-176	-72.2	0	0	0	108.9	S398	H396-S398 PolarHBondContact CE1-OG 3.43Å
397	V	25.8	Very low	25	Very low	149 Å²	149	143.1 Å²	143.1	90%	0.903	76%	0.757	S	S	*	*			trans	-146.7	126.9	152.2	-178.3	0	0	0	0	108.7
398	S	23.9	Very low	24.9	Very low	69 Å²	69	145 Å²	145	48%	0.483	75%	0.754	S	S	.	*			trans	-105.6	164.4	-174.3	-41.5	0	0	0	0	112	H396	H396-S398 PolarHBondContact CE1-OG 3.43Å
399	V	25.6	Very low	25	Very low	121 Å²	121	140.6 Å²	140.6	73%	0.733	74%	0.744	S	S	*	*			trans	84.2	110.9	140.8	177.6	0	0	0	0	116.5
400	N	25.6	Very low	25	Very low	160 Å²	160	137.3 Å²	137.3	86%	0.856	74%	0.736	S	S	*	*				-176.9	155.4	83	-119.6	-20.8	0	0	0	112.9
401	K	26.5	Very low	25.3	Very low	190 Å²	190	137.7 Å²	137.7	83%	0.826	74%	0.738	S	S	*	*			trans	-110.2	139.4	177.3	-178.8	-174.1	-175.6	-178.7	0	108.1
402	E	24.5	Very low	25.4	Very low	178 Å²	178	138.3 Å²	138.3	83%	0.832	74%	0.738	S	S	*	*			trans	164.1	114.6	150.8	-95.7	174.3	-175.3	0	0	107.7
403	E	23.3	Very low	26	Very low	163 Å²	163	139 Å²	139	76%	0.762	74%	0.743	S	S	*	*				91.9	129.5	78	-109	-167.9	-167.4	0	0	115
404	I	24.3	Very low	26.9	Very low	126 Å²	126	138.3 Å²	138.3	65%	0.646	74%	0.74	S	S	*	*			trans	90.4	114	146.8	-61.2	165.4	0	0	0	120.6
405	K	23	Very low	26.9	Very low	187 Å²	187	138.2 Å²	138.2	81%	0.813	74%	0.736	S	S	*	*			trans	39.9	142.4	137.7	-60	175.8	173.2	173	0	120.2
406	T	22.1	Very low	27	Very low	107 Å²	107	140.1 Å²	140.1	66%	0.656	73%	0.73	S	S	*	*				159.8	118.4	91.8	-43.7	0	0	0	0	111.1
407	T	22.9	Very low	27.1	Very low	111 Å²	111	136.9 Å²	136.9	68%	0.681	73%	0.725	S	S	*	*			trans	73.9	145.4	134.1	60.1	0	0	0	0	126.8
408	N	25.5	Very low	27.3	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	72%	0.716	S	S	*	*			trans	99.5	108.2	139.8	-75.2	-6.8	0	0	0	117
409	S	25.6	Very low	27.7	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	73%	0.73	S	S	*	*				111.3	141.7	75.1	-71	0	0	0	0	106.4
410	T	27.3	Very low	27.9	Very low	111 Å²	111	141.2 Å²	141.2	68%	0.681	73%	0.728	S	S	*	*			cis	-174.5	139.6	33.3	-4.8	0	0	0	0	108.7
411	E	30.2	Very low	28.2	Very low	158 Å²	158	140.7 Å²	140.7	74%	0.738	73%	0.731	S	S	*	*			trans	58	123.2	136.2	-60	178.9	-175.8	0	0	124.2
412	K	28.6	Very low	28.5	Very low	167 Å²	167	136.3 Å²	136.3	73%	0.726	73%	0.73	S	S	*	*				168.5	107.9	89.5	-84.5	-161.9	178.5	170.1	0	111.5
413	T	35.5	Very low	28.7	Very low	125 Å²	125	131.4 Å²	131.4	77%	0.767	73%	0.728	S	S	*	*				68.6	155.6	106.8	69	0	0	0	0	118
414	P	44.8	Very low	29.4	Very low	113 Å²	113	131 Å²	131	73%	0.734	73%	0.731	S	S	*	*				-137.7	175.6	-51.7	37.4	-19.2	0	0	0	112.8
415	D	26.1	Very low	29.9	Very low	118 Å²	118	130.3 Å²	130.3	63%	0.631	73%	0.734	S	S	*	*				134	136.3	122.5	-146.9	5.3	0	0	0	117.2
416	W	30.3	Very low	30.1	Very low	206 Å²	206	130.6 Å²	130.6	78%	0.78	74%	0.736	S	S	*	*			trans	87.2	77.2	169.7	-51.9	96.9	0	0	0	121.3
417	S	27.8	Very low	30.4	Very low	85 Å²	85	128.9 Å²	128.9	59%	0.594	73%	0.729	S	S	*	*				44.5	115.6	118.3	64.2	0	0	0	0	122.7
418	D	29.9	Very low	30.6	Very low	135 Å²	135	129.7 Å²	129.7	72%	0.722	73%	0.733	S	S	*	*				62.1	107.8	115.7	-59	-11.7	0	0	0	119.5
419	E	31.5	Very low	30.8	Very low	163 Å²	163	131 Å²	131	76%	0.762	74%	0.741	S	S	*	*				85.7	133.2	92.8	-88.6	178.6	147	0	0	110.7
420	D	31.2	Very low	30.9	Very low	132 Å²	132	129.6 Å²	129.6	71%	0.706	74%	0.74	S	S	*	*			cis	-158.4	144.4	28.3	-98.5	-47.1	0	0	0	109.5
421	T	31.4	Very low	31	Very low	149 Å²	149	132.5 Å²	132.5	91%	0.914	75%	0.752	S	S	*	*			trans	-138.5	109.2	148.7	-25.3	0	0	0	0	108.3
422	A	33.5	Very low	30.9	Very low	98 Å²	98	128.8 Å²	128.8	81%	0.81	76%	0.756	S	S	*	*			trans	-64.4	143.1	179.4	0	0	0	0	0	112.3
423	G	27.9	Very low	31.2	Very low	75 Å²	75	128.5 Å²	128.5	77%	0.773	76%	0.762	S	S	*	*			trans	105.3	76.2	133.3	0	0	0	0	0	117.7
424	N	37.4	Very low	31.4	Very low	156 Å²	156	128 Å²	128	83%	0.834	76%	0.761	S	S	*	*			trans	-65.1	150.4	140.6	-150	21.5	0	0	0	108.1
425	P	35.8	Very low	30.9	Very low	110 Å²	110	132 Å²	132	71%	0.714	77%	0.767	S	S	*	*				-160.5	156.4	91.1	37.9	-16.8	0	0	0	118.3
426	F	25.9	Very low	31.5	Very low	193 Å²	193	135.6 Å²	135.6	85%	0.846	78%	0.78	S	S	*	*			trans	76.6	133.6	147.8	-116.9	-104.5	0	0	0	118.3
427	S	28.3	Very low	31.8	Very low	72 Å²	72	135.3 Å²	135.3	50%	0.503	79%	0.788	S	S	.	*			cis	-176.1	165.9	-14.6	-94.5	0	0	0	0	106.7
428	T	28.9	Very low	32.2	Very low	127 Å²	127	140.2 Å²	140.2	78%	0.779	80%	0.801	S	S	*	*			trans	113.8	101.4	147.1	68.7	0	0	0	0	116.6
429	N	29.8	Very low	32.4	Very low	166 Å²	166	139.5 Å²	139.5	89%	0.888	80%	0.804	S	S	*	*			trans	9.1	140.9	134	-45.7	-15.5	0	0	0	116.2
430	G	27.6	Very low	32.6	Very low	62 Å²	62	140.7 Å²	140.7	64%	0.639	81%	0.809	S	S	*	*			cis	155.3	174.9	19.3	0	0	0	0	0	107.6
431	D	29.5	Very low	33.1	Very low	173 Å²	173	138.9 Å²	138.9	93%	0.925	81%	0.807	S	S	*	*			trans	88	87.9	164.8	-52.7	-28.8	0	0	0	117.4
432	G	28.2	Very low	33.7	Very low	80 Å²	80	137.1 Å²	137.1	83%	0.825	80%	0.798	S	S	*	*			trans	-83.3	146.1	155	0	0	0	0	0	111.1
433	N	33.3	Very low	34.7	Very low	161 Å²	161	138.9 Å²	138.9	86%	0.861	79%	0.793	S	S	*	*			trans	-101.6	129.7	163.9	-162.1	27.6	0	0	0	108.6	F435	N433-F435 PolarHBondContact O-N 3.45Å
434	P	40.9	Very low	36.5	Very low	113 Å²	113	138.6 Å²	138.6	73%	0.734	77%	0.773	S	S	*	*			trans	-103.5	72.6	-167.5	38.2	-30.6	0	0	0	112.4
435	F	34.6	Very low	38.5	Very low	197 Å²	197	135.4 Å²	135.4	86%	0.864	76%	0.763	S	S	*	*			trans	-159.4	78.2	166.9	-143.6	-93.5	0	0	0	112.1	N433	N433-F435 PolarHBondContact O-N 3.45Å
436	E	37.9	Very low	41.1	Very low	195 Å²	195	132.3 Å²	132.3	91%	0.911	74%	0.741	S	S	*	*			trans	-169.1	84.1	155.5	-110	174.9	-155.2	0	0	108.4
437	E	36.5	Very low	44.2	Very low	200 Å²	200	126.3 Å²	126.3	94%	0.935	72%	0.722	S	S	*	*			trans	-130.1	93	161.2	-84.9	-172.7	170.1	0	0	107.5
438	E	35.2	Very low	47.4	Very low	187 Å²	187	122.9 Å²	122.9	87%	0.874	70%	0.698	S	S	*	*			trans	-95.2	146.5	151.1	-98.7	-158.9	161.3	0	0	108.9	E440	E438-E440 PolarHBondContact O-N 2.99Å
439	P	36.1	Very low	50.6	Low	120 Å²	120	120.5 Å²	120.5	78%	0.779	68%	0.677	S	S	*	*			trans	-74.7	125.6	-157.5	28.8	-33.9	0	0	0	112.8	S441	P439-S441 PolarHBondContact O-N 2.94Å
440	E	34.3	Very low	53.7	Low	189 Å²	189	112.8 Å²	112.8	88%	0.883	64%	0.636	S	S	*	*			trans	-59.1	99.8	168.7	-68.4	-172.9	164.6	0	0	110.6	E438	E438-E440 PolarHBondContact O-N 2.99Å
441	S	42	Very low	56.8	Low	93 Å²	93	113.2 Å²	113.2	65%	0.65	62%	0.623	S	S	*	*			trans	-63.7	139.8	157.6	49.5	0	0	0	0	109.1	P439 I443	P439-S441 PolarHBondContact O-N 2.94Å; S441-I443 PolarHBondContact O-N 3.31Å; S441-I443 VanDerWaalsContact O-N 3.13Å
442	P	44.3	Very low	59.9	Low	113 Å²	113	111.6 Å²	111.6	73%	0.734	61%	0.605	S	S	*	*			trans	-58.3	121.1	-175.1	22.8	-32.3	0	0	0	110.6	I444	P442-I444 VanDerWaalsContact C-N 3.34Å; P442-I444 PolarHBondContact O-N 3.33Å
443	I	55.2	Low	63	Low	135 Å²	135	111.8 Å²	111.8	69%	0.692	59%	0.587	S	S	*	*			trans	-66.4	93.9	176.7	-56	170.8	0	0	0	107.8	S441 S445	S441-I443 PolarHBondContact O-N 3.31Å; S441-I443 VanDerWaalsContact O-N 3.13Å; I443-S445 PolarHBondContact O-N 2.87Å
444	I	64.6	Low	66	Low	69 Å²	69	105.6 Å²	105.6	35%	0.354	55%	0.552	S	S	.	*			trans	-65	111.9	165.8	-62.7	172.8	0	0	0	105.1	P442 V446 K472 I473 A475	P442-I444 VanDerWaalsContact C-N 3.34Å; P442-I444 PolarHBondContact O-N 3.33Å; I444-V446 HydrophobicContact CG2-CB 4.32Å; I444-V446 HydrophobicContact CG2-CG2 3.61Å; I444-K472 CarbonylContact C-O 3.56Å; I444-K472 CarbonylContact O-C 3.14Å; I444-I473 CarbonylContact O-C 3.59Å; I444-I473 WeakPolarHBondContact O-CA 3.28Å; I444-A475 HydrophobicContact CD1-CB 4.16Å
445	S	80.3	Confident	68.6	Low	89 Å²	89	107.9 Å²	107.9	62%	0.622	55%	0.553	S	S	*	*			trans	-114.2	84.9	173.5	53.1	0	0	0	0	108.9	I443 K472	I443-S445 PolarHBondContact O-N 2.87Å; S445-K472 WeakPolarHBondContact CA-O 3.45Å
446	V	89.2	Confident	71.3	Confident	44 Å²	44	99.5 Å²	99.5	27%	0.267	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.5	-177.7	177.6	0	0	0	0	108.5	I444 K472 D501	I444-V446 HydrophobicContact CG2-CB 4.32Å; I444-V446 HydrophobicContact CG2-CG2 3.61Å; V446-K472 PolarHBondContact N-O 3.11Å; V446-K472 WeakPolarHBondContact O-CB 3.34Å; V446-K472 PolarHBondContact O-N 3.12Å; V446-D501 HydrophobicContact CG1-CB 4.13Å
447	P	92	Very high	73.7	Confident	67 Å²	67	98.6 Å²	98.6	44%	0.435	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.8	172.3	27.7	-30.7	0	0	0	109.6	I502	P447-I502 HydrophobicContact CB-CB 4.26Å; P447-I502 HydrophobicContact CB-CD1 4.34Å; P447-I502 HydrophobicContact CG-CB 4.2Å; P447-I502 WeakPolarHBondContact O-CB 3.27Å; P447-I502 PolarHBondContact O-N 3.12Å
448	V	95.1	Very high	76.3	Confident	0 Å²	0	95.4 Å²	95.4	0%	0	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.7	179.4	-61	0	0	0	0	110.3	E469 F470 K472 V499 E500 D501	V448-E469 VanDerWaalsContact O-CA 3.3Å; V448-E469 WeakPolarHBondContact O-CA 3.15Å; V448-F470 HydrophobicContact CG2-CD1 4.28Å; V448-F470 HydrophobicContact CG2-CD2 3.56Å; V448-F470 HydrophobicContact CG2-CE1 4.21Å; V448-F470 HydrophobicContact CG2-CE2 3.48Å; V448-F470 VanDerWaalsContact CG2-CE2 3.48Å; V448-F470 HydrophobicContact CG2-CG 4Å; V448-F470 HydrophobicContact CG2-CZ 3.85Å; V448-F470 VanDerWaalsContact CG2-O 3.32Å; V448-F470 WeakPolarHBondContact CG2-O 3.45Å; V448-F470 PolarHBondContact N-O 3.03Å; V448-F470 PolarHBondContact O-N 3.16Å; V448-K472 HydrophobicContact CG1-CB 3.79Å; V448-K472 HydrophobicContact CG1-CD 4.43Å; V448-V499 HydrophobicContact CB-CB 4.1Å; V448-V499 HydrophobicContact CB-CG2 4Å; V448-V499 HydrophobicContact CG1-CG2 4.26Å; V448-V499 HydrophobicContact CG2-CB 4.29Å; V448-V499 HydrophobicContact CG2-CG1 4.38Å; V448-V499 HydrophobicContact CG2-CG2 4.24Å; V448-E500 CarbonylContact C-O 3.49Å; V448-E500 VanDerWaalsContact CA-O 3.24Å; V448-E500 WeakPolarHBondContact CA-O 3.34Å; V448-D501 WeakPolarHBondContact CG1-OD1 3.36Å
449	K	95.4	Very high	78.7	Confident	78 Å²	78	96.3 Å²	96.3	34%	0.339	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.2	176.9	-173.1	177.7	177.9	-177.6	0	110.6	L451 D468 E469 V499 E500 I502	K449-L451 PolarHBondContact O-N 3.13Å; K449-D468 CarbonylContact C-O 3.57Å; K449-D468 WeakPolarHBondContact CA-O 3.33Å; K449-E469 HydrophobicContact CG-CG 4.38Å; K449-V499 CarbonylContact O-C 3.59Å; K449-V499 WeakPolarHBondContact O-CA 3.18Å; K449-V499 WeakPolarHBondContact O-CB 3.49Å; K449-E500 HydrophobicContact CB-CG 4.09Å; K449-E500 PolarHBondContact N-O 3Å; K449-E500 PolarHBondContact O-N 3.43Å; K449-I502 HydrophobicContact CB-CD1 3.87Å; K449-I502 HydrophobicContact CB-CG1 3.85Å
450	A	95.4	Very high	81.3	Confident	3 Å²	3	94.2 Å²	94.2	3%	0.025	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	126	175	0	0	0	0	0	111.7	F464 K465 G467 D468 F470	A450-F464 HydrophobicContact CB-CD2 3.39Å; A450-F464 HydrophobicContact CB-CE2 3.66Å; A450-F464 HydrophobicContact CB-CG 4.45Å; A450-K465 VanDerWaalsContact CB-O 3.29Å; A450-K465 WeakPolarHBondContact CB-O 3.49Å; A450-G467 PolarHBondContact O-N 2.85Å; A450-D468 HydrophobicContact CB-CB 4.46Å; A450-D468 PolarHBondContact N-O 3.27Å; A450-F470 HydrophobicContact CB-CE1 4.42Å
451	L	93.3	Very high	84.2	Confident	71 Å²	71	86.3 Å²	86.3	37%	0.372	45%	0.452	S	S	.	.	S	Bend	trans	-85.7	-28.6	174.2	-65.3	176.9	0	0	0	112	K449 Y498 E500	K449-L451 PolarHBondContact O-N 3.13Å; L451-Y498 PolarHBondContact N-O 3.16Å; L451-E500 HydrophobicContact CD1-CB 4.31Å; L451-E500 HydrophobicContact CD2-CB 4.2Å; L451-E500 HydrophobicContact CD2-CG 3.81Å; L451-E500 HydrophobicContact CG-CB 4.32Å; L451-E500 HydrophobicContact CG-CG 4.3Å
452	Y	93	Very high	86.7	Confident	140 Å²	140	82 Å²	82	55%	0.549	42%	0.422	S	S	.	.	S	Bend	trans	-137.1	158.8	-176.6	-51.2	-74.8	0	0	0	110.8	Y498	Y452-Y498 HydrophobicContact CD2-CD1 4.35Å; Y452-Y498 HydrophobicContact CD2-CG 4.42Å
453	D	94.9	Very high	89.1	Confident	84 Å²	84	79.5 Å²	79.5	45%	0.449	41%	0.407	S	S	.	.			trans	-66.7	137.8	168.5	-75	13.8	0	0	0	109.8	K465 A466	D453-K465 HydrophobicContact CB-CD 4.22Å; D453-K465 WeakPolarHBondContact OD2-CD 3.15Å; D453-K465 IonicContact OD2-NZ 3.71Å; D453-K465 PolarHBondContact OD2-NZ 3.37Å; D453-A466 WeakPolarHBondContact OD1-CB 3.47Å; D453-A466 PolarHBondContact OD1-N 3.49Å
454	Y	95.3	Very high	91	Very high	30 Å²	30	73.3 Å²	73.3	12%	0.118	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-135.5	131	174.8	-171.4	-103.4	0	0	0	110.2	E461 L462 S463 F464 W481 P495 Y498	Y454-E461 HydrophobicContact CE1-CB 4.5Å; Y454-E461 PolarHBondContact OH-OE2 3.39Å; Y454-L462 WeakPolarHBondContact CD1-O 3.31Å; Y454-L462 VanDerWaalsContact CE1-O 3.32Å; Y454-L462 WeakPolarHBondContact CE1-O 3.49Å; Y454-S463 CarbonylContact O-C 3.55Å; Y454-S463 WeakPolarHBondContact O-CA 3.35Å; Y454-F464 VanDerWaalsContact CB-CZ 3.43Å; Y454-F464 HydrophobicContact CD1-CD1 4.48Å; Y454-F464 AromaticContact CD1-CE1 3.82Å; Y454-F464 HydrophobicContact CD1-CE1 3.82Å; Y454-F464 HydrophobicContact CD1-CZ 4.15Å; Y454-F464 HydrophobicContact CG-CE1 4.12Å; Y454-F464 AromaticContact CG-CZ 3.98Å; Y454-F464 HydrophobicContact CG-CZ 3.98Å; Y454-F464 PolarHBondContact N-O 3.39Å; Y454-F464 PolarHBondContact O-N 2.95Å; Y454-W481 WeakPolarHBondContact OH-CH2 3.48Å; Y454-P495 HydrophobicContact CD2-CG 3.88Å; Y454-P495 HydrophobicContact CE1-CG 4.47Å; Y454-P495 HydrophobicContact CE2-CG 3.45Å; Y454-P495 VanDerWaalsContact CE2-CG 3.45Å; Y454-Y498 AromaticContact CD2-CD1 3.94Å; Y454-Y498 HydrophobicContact CD2-CD1 3.94Å; Y454-Y498 AromaticContact CD2-CE1 3.86Å; Y454-Y498 HydrophobicContact CD2-CE1 3.86Å; Y454-Y498 HydrophobicContact CG-CD1 4.35Å
455	E	95.3	Very high	92.4	Very high	161 Å²	161	75.8 Å²	75.8	75%	0.752	38%	0.384	S	S	*	.			trans	-118.1	113.8	176.7	-173.1	171.7	-166.8	0	0	107.4
456	G	92.1	Very high	93.1	Very high	21 Å²	21	74 Å²	74	22%	0.216	37%	0.374	C	S	.	.			trans	-64	132.2	-177.2	0	0	0	0	0	111	E461 S463	G456-E461 VanDerWaalsContact CA-OE2 3.28Å; G456-E461 WeakPolarHBondContact CA-OE2 3.2Å; G456-S463 PolarHBondContact N-OG 2.97Å
457	Q	88.7	Confident	93.3	Very high	176 Å²	176	73.7 Å²	73.7	82%	0.822	38%	0.379	S	S	*	.	S	Bend	trans	-90.8	-30.3	-178.7	-61.7	-173.3	13.3	0	0	112.1	E461	Q457-E461 PolarHBondContact N-OE2 3.22Å
458	E	89.8	Confident	93.4	Very high	134 Å²	134	73.9 Å²	73.9	63%	0.626	38%	0.377	S	S	*	.	S	Bend	trans	-111.8	163.3	179.9	-59.7	-168.3	-167.9	0	0	111.4	D460 E461	E458-D460 VanDerWaalsContact CB-OD1 3.29Å; E458-D460 WeakPolarHBondContact CB-OD1 3.26Å; E458-D460 PolarHBondContact O-N 2.77Å; E458-E461 HydrophobicContact CB-CG 4.25Å; E458-E461 PolarHBondContact O-N 3.11Å
459	Q	85.5	Confident	93.4	Very high	205 Å²	205	78.1 Å²	78.1	96%	0.958	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-21.2	-173.7	-73.1	-177.1	-6.6	0	0	113.8
460	D	92.2	Very high	93.3	Very high	77 Å²	77	74.8 Å²	74.8	41%	0.412	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.2	178.9	64.1	-31	0	0	0	112.8	E458 G492 L493	E458-D460 VanDerWaalsContact CB-OD1 3.29Å; E458-D460 WeakPolarHBondContact CB-OD1 3.26Å; E458-D460 PolarHBondContact O-N 2.77Å; D460-G492 CarbonylContact O-C 3.51Å; D460-G492 WeakPolarHBondContact O-CA 3.45Å; D460-L493 PolarHBondContact O-N 2.96Å; D460-L493 WeakPolarHBondContact OD2-CD1 3.31Å
461	E	94.7	Very high	93.3	Very high	23 Å²	23	77.2 Å²	77.2	11%	0.107	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-93.7	144.8	177.5	-64.3	-177	-164	0	0	112.8	Y454 G456 Q457 E458 W481 L493	Y454-E461 HydrophobicContact CE1-CB 4.5Å; Y454-E461 PolarHBondContact OH-OE2 3.39Å; G456-E461 VanDerWaalsContact CA-OE2 3.28Å; G456-E461 WeakPolarHBondContact CA-OE2 3.2Å; Q457-E461 PolarHBondContact N-OE2 3.22Å; E458-E461 HydrophobicContact CB-CG 4.25Å; E458-E461 PolarHBondContact O-N 3.11Å; E461-W481 HydrophobicContact CG-CH2 4.11Å; E461-W481 HydrophobicContact CG-CZ3 3.91Å; E461-W481 WeakPolarHBondContact OE1-CH2 3.14Å; E461-L493 CarbonylContact C-O 3.38Å; E461-L493 WeakPolarHBondContact CA-O 3.35Å
462	L	93.8	Very high	93.3	Very high	1 Å²	1	75.5 Å²	75.5	1%	0.005	39%	0.386	C	S	.	.			trans	-82.2	150.9	173.6	-66.9	177.2	0	0	0	111.3	Y454 F464 L486 Q490 L493 Y494	Y454-L462 WeakPolarHBondContact CD1-O 3.31Å; Y454-L462 VanDerWaalsContact CE1-O 3.32Å; Y454-L462 WeakPolarHBondContact CE1-O 3.49Å; L462-F464 HydrophobicContact CB-CD1 4.16Å; L462-F464 HydrophobicContact CB-CE1 4.45Å; L462-L486 HydrophobicContact CD1-CD2 4.47Å; L462-L486 HydrophobicContact CD1-CG 4.2Å; L462-L486 HydrophobicContact CD2-CD1 3.99Å; L462-L486 HydrophobicContact CD2-CG 3.99Å; L462-Q490 HydrophobicContact CD2-CB 4.3Å; L462-Q490 HydrophobicContact CD2-CG 3.94Å; L462-L493 PolarHBondContact N-O 2.87Å; L462-Y494 HydrophobicContact CD1-CD1 4.3Å
463	S	95.1	Very high	93.3	Very high	61 Å²	61	70.6 Å²	70.6	43%	0.427	37%	0.369	S	S	.	.			trans	-116.6	130	167.3	-63	0	0	0	0	109.8	Y454 G456	Y454-S463 CarbonylContact O-C 3.55Å; Y454-S463 WeakPolarHBondContact O-CA 3.35Å; G456-S463 PolarHBondContact N-OG 2.97Å
464	F	94.9	Very high	93	Very high	6 Å²	6	67.5 Å²	67.5	3%	0.026	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-151.6	161.7	-177.6	53.7	-95.5	0	0	0	112.1	A450 Y454 L462 D468 F470 L486 Y494 V499	A450-F464 HydrophobicContact CB-CD2 3.39Å; A450-F464 HydrophobicContact CB-CE2 3.66Å; A450-F464 HydrophobicContact CB-CG 4.45Å; Y454-F464 VanDerWaalsContact CB-CZ 3.43Å; Y454-F464 HydrophobicContact CD1-CD1 4.48Å; Y454-F464 AromaticContact CD1-CE1 3.82Å; Y454-F464 HydrophobicContact CD1-CE1 3.82Å; Y454-F464 HydrophobicContact CD1-CZ 4.15Å; Y454-F464 HydrophobicContact CG-CE1 4.12Å; Y454-F464 AromaticContact CG-CZ 3.98Å; Y454-F464 HydrophobicContact CG-CZ 3.98Å; Y454-F464 PolarHBondContact N-O 3.39Å; Y454-F464 PolarHBondContact O-N 2.95Å; L462-F464 HydrophobicContact CB-CD1 4.16Å; L462-F464 HydrophobicContact CB-CE1 4.45Å; F464-D468 HydrophobicContact CB-CB 4.36Å; F464-F470 HydrophobicContact CD1-CE1 4.05Å; F464-F470 HydrophobicContact CD1-CZ 4.2Å; F464-F470 HydrophobicContact CD2-CE1 4.2Å; F464-F470 HydrophobicContact CE1-CE1 4.23Å; F464-F470 HydrophobicContact CE1-CZ 4.02Å; F464-F470 HydrophobicContact CE2-CE1 4.36Å; F464-F470 HydrophobicContact CG-CE1 4.02Å; F464-F470 HydrophobicContact CZ-CE1 4.37Å; F464-F470 HydrophobicContact CZ-CZ 4.23Å; F464-L486 HydrophobicContact CB-CD2 4.32Å; F464-Y494 HydrophobicContact CE1-CG 4.35Å; F464-V499 HydrophobicContact CE2-CG1 4.49Å; F464-V499 HydrophobicContact CZ-CG1 4.38Å
465	K	94.7	Very high	92.6	Very high	121 Å²	121	69.2 Å²	69.2	53%	0.526	38%	0.378	S	S	.	.			trans	-105.6	152.6	178.4	-66.4	-60.3	-172.4	-174	0	111.7	A450 D453 G467 D468	A450-K465 VanDerWaalsContact CB-O 3.29Å; A450-K465 WeakPolarHBondContact CB-O 3.49Å; D453-K465 HydrophobicContact CB-CD 4.22Å; D453-K465 WeakPolarHBondContact OD2-CD 3.15Å; D453-K465 IonicContact OD2-NZ 3.71Å; D453-K465 PolarHBondContact OD2-NZ 3.37Å; K465-G467 PolarHBondContact O-N 3.39Å; K465-D468 PolarHBondContact N-OD2 3.3Å; K465-D468 VanDerWaalsContact O-CB 3.25Å; K465-D468 WeakPolarHBondContact O-CB 3.4Å; K465-D468 PolarHBondContact O-N 3.22Å
466	A	94.7	Very high	92.3	Very high	51 Å²	51	67.1 Å²	67.1	42%	0.421	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	126.3	174.7	0	0	0	0	0	110	D453	D453-A466 WeakPolarHBondContact OD1-CB 3.47Å; D453-A466 PolarHBondContact OD1-N 3.49Å
467	G	92.6	Very high	92.2	Very high	37 Å²	37	69.3 Å²	69.3	38%	0.381	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-9.9	-175	0	0	0	0	0	115.2	A450 K465	A450-G467 PolarHBondContact O-N 2.85Å; K465-G467 PolarHBondContact O-N 3.39Å
468	D	94.1	Very high	92.1	Very high	72 Å²	72	69.5 Å²	69.5	39%	0.385	38%	0.381	S	S	.	.			trans	-66.6	144.3	173.9	-72.9	-18.9	0	0	0	111.2	K449 A450 F464 K465	K449-D468 CarbonylContact C-O 3.57Å; K449-D468 WeakPolarHBondContact CA-O 3.33Å; A450-D468 HydrophobicContact CB-CB 4.46Å; A450-D468 PolarHBondContact N-O 3.27Å; F464-D468 HydrophobicContact CB-CB 4.36Å; K465-D468 PolarHBondContact N-OD2 3.3Å; K465-D468 VanDerWaalsContact O-CB 3.25Å; K465-D468 WeakPolarHBondContact O-CB 3.4Å; K465-D468 PolarHBondContact O-N 3.22Å
469	E	95.4	Very high	91.9	Very high	89 Å²	89	70.8 Å²	70.8	42%	0.416	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132	179	-60.9	175.4	166	0	0	109.7	V448 K449 K487 I502	V448-E469 VanDerWaalsContact O-CA 3.3Å; V448-E469 WeakPolarHBondContact O-CA 3.15Å; K449-E469 HydrophobicContact CG-CG 4.38Å; E469-K487 VanDerWaalsContact O-CE 3.24Å; E469-K487 WeakPolarHBondContact O-CE 3.46Å; E469-K487 IonicContact OE2-NZ 3.76Å; E469-I502 HydrophobicContact CB-CD1 4.21Å; E469-I502 HydrophobicContact CG-CD1 3.78Å
470	F	94.8	Very high	92.1	Very high	7 Å²	7	62 Å²	62	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	172.6	-179.1	62.9	-93.7	0	0	0	111.3	V448 A450 F464 R485 L486 Y494 V499	V448-F470 HydrophobicContact CG2-CD1 4.28Å; V448-F470 HydrophobicContact CG2-CD2 3.56Å; V448-F470 HydrophobicContact CG2-CE1 4.21Å; V448-F470 HydrophobicContact CG2-CE2 3.48Å; V448-F470 VanDerWaalsContact CG2-CE2 3.48Å; V448-F470 HydrophobicContact CG2-CG 4Å; V448-F470 HydrophobicContact CG2-CZ 3.85Å; V448-F470 VanDerWaalsContact CG2-O 3.32Å; V448-F470 WeakPolarHBondContact CG2-O 3.45Å; V448-F470 PolarHBondContact N-O 3.03Å; V448-F470 PolarHBondContact O-N 3.16Å; A450-F470 HydrophobicContact CB-CE1 4.42Å; F464-F470 HydrophobicContact CD1-CE1 4.05Å; F464-F470 HydrophobicContact CD1-CZ 4.2Å; F464-F470 HydrophobicContact CD2-CE1 4.2Å; F464-F470 HydrophobicContact CE1-CE1 4.23Å; F464-F470 HydrophobicContact CE1-CZ 4.02Å; F464-F470 HydrophobicContact CE2-CE1 4.36Å; F464-F470 HydrophobicContact CG-CE1 4.02Å; F464-F470 HydrophobicContact CZ-CE1 4.37Å; F464-F470 HydrophobicContact CZ-CZ 4.23Å; F470-R485 WeakPolarHBondContact CB-O 3.44Å; F470-L486 HydrophobicContact CB-CD2 3.83Å; F470-L486 HydrophobicContact CD1-CD2 4.04Å; F470-L486 HydrophobicContact CG-CD2 3.96Å; F470-Y494 AromaticContact CE2-CD1 3.72Å; F470-Y494 HydrophobicContact CE2-CD1 3.72Å; F470-Y494 HydrophobicContact CE2-CD2 4.27Å; F470-Y494 AromaticContact CE2-CE1 3.54Å; F470-Y494 HydrophobicContact CE2-CE1 3.54Å; F470-Y494 HydrophobicContact CE2-CE2 4.13Å; F470-Y494 HydrophobicContact CE2-CG 4.08Å; F470-Y494 AromaticContact CE2-CZ 3.73Å; F470-Y494 HydrophobicContact CZ-CD1 4.16Å; F470-Y494 HydrophobicContact CZ-CD2 4.03Å; F470-Y494 HydrophobicContact CZ-CE1 4.26Å; F470-Y494 HydrophobicContact CZ-CE2 4.15Å; F470-Y494 HydrophobicContact CZ-CG 4.04Å; F470-V499 HydrophobicContact CE1-CG1 3.88Å; F470-V499 HydrophobicContact CE2-CG1 4.45Å; F470-V499 HydrophobicContact CZ-CG1 3.49Å; F470-V499 VanDerWaalsContact CZ-CG1 3.49Å
471	T	94.8	Very high	92.3	Very high	54 Å²	54	61.2 Å²	61.2	33%	0.331	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.7	-173.6	-54	0	0	0	0	110.4	I473 G484 R485	T471-I473 HydrophobicContact CG2-CG2 4.01Å; T471-G484 CarbonylContact O-C 3.52Å; T471-G484 VanDerWaalsContact O-CA 3.27Å; T471-G484 WeakPolarHBondContact O-CA 3.47Å; T471-R485 PolarHBondContact N-O 3.38Å; T471-R485 PolarHBondContact O-N 3.31Å
472	K	93.7	Very high	92.2	Very high	35 Å²	35	60.1 Å²	60.1	15%	0.152	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127.3	164.2	-179.9	171.1	-178.3	167.1	0	108.4	I444 S445 V446 V448 G474 C482 Y494	I444-K472 CarbonylContact C-O 3.56Å; I444-K472 CarbonylContact O-C 3.14Å; S445-K472 WeakPolarHBondContact CA-O 3.45Å; V446-K472 PolarHBondContact N-O 3.11Å; V446-K472 WeakPolarHBondContact O-CB 3.34Å; V446-K472 PolarHBondContact O-N 3.12Å; V448-K472 HydrophobicContact CG1-CB 3.79Å; V448-K472 HydrophobicContact CG1-CD 4.43Å; K472-G474 WeakPolarHBondContact CE-O 3.23Å; K472-G474 WeakPolarHBondContact CG-O 3.38Å; K472-C482 VanDerWaalsContact CE-SG 3.52Å; K472-C482 PolarHBondContact NZ-SG 3.09Å; K472-C482 VanDerWaalsContact NZ-SG 3.44Å; K472-Y494 WeakPolarHBondContact CB-OH 3.5Å; K472-Y494 WeakPolarHBondContact CG-OH 3.35Å
473	I	92.6	Very high	92.3	Very high	38 Å²	38	65.2 Å²	65.2	20%	0.195	36%	0.36	C	S	.	.			trans	-120.4	-5.5	-176.7	63.1	169.7	0	0	0	113.8	I444 T471 K483 R485 I491	I444-I473 CarbonylContact O-C 3.59Å; I444-I473 WeakPolarHBondContact O-CA 3.28Å; T471-I473 HydrophobicContact CG2-CG2 4.01Å; I473-K483 HydrophobicContact CD1-CD 4.23Å; I473-K483 HydrophobicContact CD1-CG 4Å; I473-K483 HydrophobicContact CG1-CB 4.05Å; I473-K483 HydrophobicContact CG1-CD 4.43Å; I473-K483 HydrophobicContact CG1-CG 3.92Å; I473-K483 WeakPolarHBondContact CG1-O 3.45Å; I473-K483 PolarHBondContact N-O 3.48Å; I473-R485 HydrophobicContact CD1-CB 4.49Å; I473-R485 HydrophobicContact CG2-CB 4.22Å; I473-I491 HydrophobicContact CD1-CD1 4.34Å; I473-I491 HydrophobicContact CD1-CG1 4.37Å; I473-I491 HydrophobicContact CD1-CG2 3.67Å
474	G	87.7	Confident	92.2	Very high	19 Å²	19	62.3 Å²	62.3	20%	0.196	34%	0.34	C	S	.	.	S	Bend	trans	-140.1	156.7	178.2	0	0	0	0	0	112.1	K472 K483	K472-G474 WeakPolarHBondContact CE-O 3.23Å; K472-G474 WeakPolarHBondContact CG-O 3.38Å; G474-K483 PolarHBondContact N-O 2.87Å
475	A	86.8	Confident	92.2	Very high	66 Å²	66	67.9 Å²	67.9	55%	0.545	36%	0.36	S	S	.	.			trans	-66.9	161.9	170.2	0	0	0	0	0	110.8	I444	I444-A475 HydrophobicContact CD1-CB 4.16Å
476	E	90.3	Very high	92.2	Very high	116 Å²	116	63.1 Å²	63.1	54%	0.542	34%	0.341	S	S	.	.			trans	-66.9	134.1	169.8	-170.7	179.3	147.9	0	0	109.4	W481 C482 A496	E476-W481 CarbonylContact C-O 3.51Å; E476-W481 VanDerWaalsContact CA-O 3.3Å; E476-W481 WeakPolarHBondContact CA-O 3.42Å; E476-C482 VanDerWaalsContact CA-SG 3.58Å; E476-A496 HydrophobicContact CG-CB 3.93Å; E476-A496 WeakPolarHBondContact OE2-CB 3.3Å
477	D	88.9	Confident	91.8	Very high	67 Å²	67	68.6 Å²	68.6	36%	0.358	36%	0.355	S	S	.	.			trans	-85.2	176.9	173.7	71.7	12.9	0	0	0	112.5	Q479 G480 W481	D477-Q479 PolarHBondContact O-N 3.47Å; D477-Q479 WeakPolarHBondContact OD1-CA 3.48Å; D477-Q479 WeakPolarHBondContact OD1-CB 3.32Å; D477-Q479 PolarHBondContact OD1-N 2.96Å; D477-G480 PolarHBondContact O-N 3.07Å; D477-G480 VanDerWaalsContact O-N 3.12Å; D477-G480 PolarHBondContact OD1-N 3.5Å; D477-W481 PolarHBondContact N-O 3.07Å; D477-W481 PolarHBondContact OD1-N 3.2Å
478	D	86.8	Confident	91.5	Very high	180 Å²	180	72.6 Å²	72.6	96%	0.963	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.2	-179.3	-67.6	-32.5	0	0	0	113.9
479	Q	85.6	Confident	91.1	Very high	162 Å²	162	71.3 Å²	71.3	76%	0.757	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	0.4	179.6	-63.3	-177.1	60.1	0	0	112.6	D477	D477-Q479 PolarHBondContact O-N 3.47Å; D477-Q479 WeakPolarHBondContact OD1-CA 3.48Å; D477-Q479 WeakPolarHBondContact OD1-CB 3.32Å; D477-Q479 PolarHBondContact OD1-N 2.96Å
480	G	90.7	Very high	90.9	Very high	20 Å²	20	71.6 Å²	71.6	21%	0.206	37%	0.373	C	S	.	.	S	Bend	trans	85.5	17.2	178.3	0	0	0	0	0	114.4	D477 A496	D477-G480 PolarHBondContact O-N 3.07Å; D477-G480 VanDerWaalsContact O-N 3.12Å; D477-G480 PolarHBondContact OD1-N 3.5Å; G480-A496 WeakPolarHBondContact O-CB 3.43Å; G480-A496 PolarHBondContact O-N 3.25Å
481	W	94.7	Very high	90.9	Very high	60 Å²	60	74.8 Å²	74.8	23%	0.227	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143.3	178.9	-66.7	83.3	0	0	0	111.7	Y454 E461 E476 D477 L493 Y494 P495	Y454-W481 WeakPolarHBondContact OH-CH2 3.48Å; E461-W481 HydrophobicContact CG-CH2 4.11Å; E461-W481 HydrophobicContact CG-CZ3 3.91Å; E461-W481 WeakPolarHBondContact OE1-CH2 3.14Å; E476-W481 CarbonylContact C-O 3.51Å; E476-W481 VanDerWaalsContact CA-O 3.3Å; E476-W481 WeakPolarHBondContact CA-O 3.42Å; D477-W481 PolarHBondContact N-O 3.07Å; D477-W481 PolarHBondContact OD1-N 3.2Å; W481-L493 HydrophobicContact CE3-CB 3.78Å; W481-L493 HydrophobicContact CZ3-CB 4.26Å; W481-Y494 WeakPolarHBondContact CA-O 3.44Å; W481-P495 HydrophobicContact CH2-CG 4.47Å; W481-P495 HydrophobicContact CZ3-CG 4.24Å
482	C	94	Very high	90.9	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.007	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.1	173.7	-75.4	0	0	0	0	110	K472 E476 L493 Y494	K472-C482 VanDerWaalsContact CE-SG 3.52Å; K472-C482 PolarHBondContact NZ-SG 3.09Å; K472-C482 VanDerWaalsContact NZ-SG 3.44Å; E476-C482 VanDerWaalsContact CA-SG 3.58Å; C482-L493 CarbonylContact O-C 3.44Å; C482-L493 WeakPolarHBondContact O-CA 3.32Å; C482-Y494 HydrophobicContact CB-CD1 4.27Å; C482-Y494 HydrophobicContact CB-CD2 4.42Å; C482-Y494 HydrophobicContact CB-CE1 3.6Å; C482-Y494 HydrophobicContact CB-CE2 3.76Å; C482-Y494 WeakPolarHBondContact CB-OH 3.49Å; C482-Y494 PolarHBondContact N-O 2.92Å; C482-Y494 WeakPolarHBondContact O-CD1 3.43Å; C482-Y494 WeakPolarHBondContact O-CE1 3.36Å; C482-Y494 PolarHBondContact O-N 3.14Å
483	K	94.6	Very high	91	Very high	107 Å²	107	73.2 Å²	73.2	47%	0.465	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.4	171.4	-160.4	173	-176.4	167.3	0	110.3	I473 G474 I491 L493	I473-K483 HydrophobicContact CD1-CD 4.23Å; I473-K483 HydrophobicContact CD1-CG 4Å; I473-K483 HydrophobicContact CG1-CB 4.05Å; I473-K483 HydrophobicContact CG1-CD 4.43Å; I473-K483 HydrophobicContact CG1-CG 3.92Å; I473-K483 WeakPolarHBondContact CG1-O 3.45Å; I473-K483 PolarHBondContact N-O 3.48Å; G474-K483 PolarHBondContact N-O 2.87Å; K483-I491 HydrophobicContact CD-CG2 4.27Å; K483-I491 HydrophobicContact CG-CG2 4.08Å; K483-L493 HydrophobicContact CB-CD2 4.3Å; K483-L493 HydrophobicContact CG-CD2 4.47Å
484	G	94.4	Very high	91.1	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	163.5	-177.2	0	0	0	0	0	112.8	T471 I491 G492	T471-G484 CarbonylContact O-C 3.52Å; T471-G484 VanDerWaalsContact O-CA 3.27Å; T471-G484 WeakPolarHBondContact O-CA 3.47Å; G484-I491 VanDerWaalsContact O-CA 3.32Å; G484-I491 WeakPolarHBondContact O-CA 3.16Å; G484-G492 PolarHBondContact N-O 3.35Å; G484-G492 PolarHBondContact O-N 2.96Å
485	R	95.3	Very high	91.4	Very high	123 Å²	123	71.2 Å²	71.2	46%	0.464	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.2	171.6	-176.9	-178.1	-67.6	171.8	-1	110.3	F470 T471 I473 Q490 I491	F470-R485 WeakPolarHBondContact CB-O 3.44Å; T471-R485 PolarHBondContact N-O 3.38Å; T471-R485 PolarHBondContact O-N 3.31Å; I473-R485 HydrophobicContact CD1-CB 4.49Å; I473-R485 HydrophobicContact CG2-CB 4.22Å; R485-Q490 CarbonylContact C-O 3.6Å; R485-Q490 VanDerWaalsContact CA-O 3.3Å; R485-Q490 WeakPolarHBondContact CA-O 3.28Å; R485-I491 HydrophobicContact CB-CG1 4.06Å; R485-I491 HydrophobicContact CG-CG1 3.88Å
486	L	92.8	Very high	91.7	Very high	22 Å²	22	69 Å²	69	12%	0.115	35%	0.35	C	S	.	.			trans	-71.3	166.8	175.5	-67.3	-179.1	0	0	0	112	L462 F464 F470 D488 G489 Q490	L462-L486 HydrophobicContact CD1-CD2 4.47Å; L462-L486 HydrophobicContact CD1-CG 4.2Å; L462-L486 HydrophobicContact CD2-CD1 3.99Å; L462-L486 HydrophobicContact CD2-CG 3.99Å; F464-L486 HydrophobicContact CB-CD2 4.32Å; F470-L486 HydrophobicContact CB-CD2 3.83Å; F470-L486 HydrophobicContact CD1-CD2 4.04Å; F470-L486 HydrophobicContact CG-CD2 3.96Å; L486-D488 WeakPolarHBondContact CB-OD1 3.43Å; L486-D488 PolarHBondContact O-N 3.39Å; L486-G489 PolarHBondContact O-N 3.39Å; L486-Q490 HydrophobicContact CB-CB 4.47Å; L486-Q490 HydrophobicContact CD1-CB 4.41Å; L486-Q490 PolarHBondContact N-O 3.23Å
487	K	87.4	Confident	91.9	Very high	165 Å²	165	69 Å²	69	72%	0.717	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.6	-179.6	-72	178.7	177.1	168.7	0	113.7	E469	E469-K487 VanDerWaalsContact O-CE 3.24Å; E469-K487 WeakPolarHBondContact O-CE 3.46Å; E469-K487 IonicContact OE2-NZ 3.76Å
488	D	85.9	Confident	92.2	Very high	122 Å²	122	69.5 Å²	69.5	65%	0.652	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4.1	174.6	60.3	6	0	0	0	113.3	L486 Q490	L486-D488 WeakPolarHBondContact CB-OD1 3.43Å; L486-D488 PolarHBondContact O-N 3.39Å; D488-Q490 WeakPolarHBondContact OD1-CB 3.22Å; D488-Q490 PolarHBondContact OD1-N 3.44Å
489	G	86.6	Confident	92.5	Very high	45 Å²	45	61.8 Å²	61.8	46%	0.464	31%	0.31	S	S	.	.	S	Bend	trans	92.6	-3.4	-179.7	0	0	0	0	0	114.3	L486 I491	L486-G489 PolarHBondContact O-N 3.39Å; G489-I491 PolarHBondContact O-N 3.01Å
490	Q	90.8	Very high	92.9	Very high	95 Å²	95	58.7 Å²	58.7	44%	0.444	30%	0.296	S	S	.	.			trans	-65.1	133.7	177.3	-166	177.8	34.4	0	0	110.5	L462 R485 L486 D488	L462-Q490 HydrophobicContact CD2-CB 4.3Å; L462-Q490 HydrophobicContact CD2-CG 3.94Å; R485-Q490 CarbonylContact C-O 3.6Å; R485-Q490 VanDerWaalsContact CA-O 3.3Å; R485-Q490 WeakPolarHBondContact CA-O 3.28Å; L486-Q490 HydrophobicContact CB-CB 4.47Å; L486-Q490 HydrophobicContact CD1-CB 4.41Å; L486-Q490 PolarHBondContact N-O 3.23Å; D488-Q490 WeakPolarHBondContact OD1-CB 3.22Å; D488-Q490 PolarHBondContact OD1-N 3.44Å
491	I	94.4	Very high	92.9	Very high	73 Å²	73	62.3 Å²	62.3	37%	0.374	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.9	178.7	-62.5	172.9	0	0	0	108.4	I473 K483 G484 R485 G489	I473-I491 HydrophobicContact CD1-CD1 4.34Å; I473-I491 HydrophobicContact CD1-CG1 4.37Å; I473-I491 HydrophobicContact CD1-CG2 3.67Å; K483-I491 HydrophobicContact CD-CG2 4.27Å; K483-I491 HydrophobicContact CG-CG2 4.08Å; G484-I491 VanDerWaalsContact O-CA 3.32Å; G484-I491 WeakPolarHBondContact O-CA 3.16Å; R485-I491 HydrophobicContact CB-CG1 4.06Å; R485-I491 HydrophobicContact CG-CG1 3.88Å; G489-I491 PolarHBondContact O-N 3.01Å
492	G	94.8	Very high	92.5	Very high	6 Å²	6	62.1 Å²	62.1	6%	0.062	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	-177.9	178.5	0	0	0	0	0	112.2	D460 G484	D460-G492 CarbonylContact O-C 3.51Å; D460-G492 WeakPolarHBondContact O-CA 3.45Å; G484-G492 PolarHBondContact N-O 3.35Å; G484-G492 PolarHBondContact O-N 2.96Å
493	L	95.4	Very high	91	Very high	50 Å²	50	74.3 Å²	74.3	26%	0.262	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	147.3	178.3	-62.1	178.4	0	0	0	110.9	D460 E461 L462 W481 C482 K483	D460-L493 PolarHBondContact O-N 2.96Å; D460-L493 WeakPolarHBondContact OD2-CD1 3.31Å; E461-L493 CarbonylContact C-O 3.38Å; E461-L493 WeakPolarHBondContact CA-O 3.35Å; L462-L493 PolarHBondContact N-O 2.87Å; W481-L493 HydrophobicContact CE3-CB 3.78Å; W481-L493 HydrophobicContact CZ3-CB 4.26Å; C482-L493 CarbonylContact O-C 3.44Å; C482-L493 WeakPolarHBondContact O-CA 3.32Å; K483-L493 HydrophobicContact CB-CD2 4.3Å; K483-L493 HydrophobicContact CG-CD2 4.47Å
494	Y	94.9	Very high	90.8	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	155.8	171.4	67.8	-84.7	0	0	0	110.9	L462 F464 F470 K472 W481 C482 A496 V499	L462-Y494 HydrophobicContact CD1-CD1 4.3Å; F464-Y494 HydrophobicContact CE1-CG 4.35Å; F470-Y494 AromaticContact CE2-CD1 3.72Å; F470-Y494 HydrophobicContact CE2-CD1 3.72Å; F470-Y494 HydrophobicContact CE2-CD2 4.27Å; F470-Y494 AromaticContact CE2-CE1 3.54Å; F470-Y494 HydrophobicContact CE2-CE1 3.54Å; F470-Y494 HydrophobicContact CE2-CE2 4.13Å; F470-Y494 HydrophobicContact CE2-CG 4.08Å; F470-Y494 AromaticContact CE2-CZ 3.73Å; F470-Y494 HydrophobicContact CZ-CD1 4.16Å; F470-Y494 HydrophobicContact CZ-CD2 4.03Å; F470-Y494 HydrophobicContact CZ-CE1 4.26Å; F470-Y494 HydrophobicContact CZ-CE2 4.15Å; F470-Y494 HydrophobicContact CZ-CG 4.04Å; K472-Y494 WeakPolarHBondContact CB-OH 3.5Å; K472-Y494 WeakPolarHBondContact CG-OH 3.35Å; W481-Y494 WeakPolarHBondContact CA-O 3.44Å; C482-Y494 HydrophobicContact CB-CD1 4.27Å; C482-Y494 HydrophobicContact CB-CD2 4.42Å; C482-Y494 HydrophobicContact CB-CE1 3.6Å; C482-Y494 HydrophobicContact CB-CE2 3.76Å; C482-Y494 WeakPolarHBondContact CB-OH 3.49Å; C482-Y494 PolarHBondContact N-O 2.92Å; C482-Y494 WeakPolarHBondContact O-CD1 3.43Å; C482-Y494 WeakPolarHBondContact O-CE1 3.36Å; C482-Y494 PolarHBondContact O-N 3.14Å; Y494-A496 PolarHBondContact O-N 3.16Å; Y494-V499 HydrophobicContact CD2-CG1 3.89Å; Y494-V499 HydrophobicContact CD2-CG2 4.37Å; Y494-V499 HydrophobicContact CE2-CB 4.31Å; Y494-V499 HydrophobicContact CE2-CG1 3.75Å; Y494-V499 HydrophobicContact CE2-CG2 3.51Å
495	P	95.3	Very high	90.6	Very high	15 Å²	15	76.5 Å²	76.5	10%	0.097	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.6	178.2	-12.1	26.1	0	0	0	111	Y454 W481 N497 Y498	Y454-P495 HydrophobicContact CD2-CG 3.88Å; Y454-P495 HydrophobicContact CE1-CG 4.47Å; Y454-P495 HydrophobicContact CE2-CG 3.45Å; Y454-P495 VanDerWaalsContact CE2-CG 3.45Å; W481-P495 HydrophobicContact CH2-CG 4.47Å; W481-P495 HydrophobicContact CZ3-CG 4.24Å; P495-N497 VanDerWaalsContact CB-OD1 3.28Å; P495-N497 WeakPolarHBondContact CB-OD1 3.39Å; P495-N497 PolarHBondContact O-N 3.11Å; P495-N497 VanDerWaalsContact O-N 3.12Å; P495-Y498 HydrophobicContact CB-CD2 3.72Å; P495-Y498 HydrophobicContact CB-CE2 4.27Å; P495-Y498 HydrophobicContact CB-CG 4.32Å; P495-Y498 HydrophobicContact CG-CD2 3.99Å; P495-Y498 HydrophobicContact CG-CE2 4.34Å; P495-Y498 HydrophobicContact CG-CG 4.31Å; P495-Y498 PolarHBondContact O-N 3.44Å
496	A	93.1	Very high	90.3	Very high	20 Å²	20	73.9 Å²	73.9	17%	0.165	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-59.3	-29.8	-175.7	0	0	0	0	0	113.3	E476 G480 Y494 Y498	E476-A496 HydrophobicContact CG-CB 3.93Å; E476-A496 WeakPolarHBondContact OE2-CB 3.3Å; G480-A496 WeakPolarHBondContact O-CB 3.43Å; G480-A496 PolarHBondContact O-N 3.25Å; Y494-A496 PolarHBondContact O-N 3.16Å; A496-Y498 VanDerWaalsContact C-N 3.27Å; A496-Y498 PolarHBondContact O-N 2.63Å
497	N	94.3	Very high	90.2	Very high	116 Å²	116	77 Å²	77	62%	0.62	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-78.7	-1.9	180	64.7	-31.5	0	0	0	114.7	P495	P495-N497 VanDerWaalsContact CB-OD1 3.28Å; P495-N497 WeakPolarHBondContact CB-OD1 3.39Å; P495-N497 PolarHBondContact O-N 3.11Å; P495-N497 VanDerWaalsContact O-N 3.12Å
498	Y	93.9	Very high	90.4	Very high	78 Å²	78	71.5 Å²	71.5	31%	0.306	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-93.4	-2.7	178.4	-85.8	-120	0	0	0	113.4	L451 Y452 Y454 P495 A496	L451-Y498 PolarHBondContact N-O 3.16Å; Y452-Y498 HydrophobicContact CD2-CD1 4.35Å; Y452-Y498 HydrophobicContact CD2-CG 4.42Å; Y454-Y498 AromaticContact CD2-CD1 3.94Å; Y454-Y498 HydrophobicContact CD2-CD1 3.94Å; Y454-Y498 AromaticContact CD2-CE1 3.86Å; Y454-Y498 HydrophobicContact CD2-CE1 3.86Å; Y454-Y498 HydrophobicContact CG-CD1 4.35Å; P495-Y498 HydrophobicContact CB-CD2 3.72Å; P495-Y498 HydrophobicContact CB-CE2 4.27Å; P495-Y498 HydrophobicContact CB-CG 4.32Å; P495-Y498 HydrophobicContact CG-CD2 3.99Å; P495-Y498 HydrophobicContact CG-CE2 4.34Å; P495-Y498 HydrophobicContact CG-CG 4.31Å; P495-Y498 PolarHBondContact O-N 3.44Å; A496-Y498 VanDerWaalsContact C-N 3.27Å; A496-Y498 PolarHBondContact O-N 2.63Å
499	V	94.3	Very high	90.7	Very high	18 Å²	18	68.1 Å²	68.1	11%	0.109	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	162.7	-177.4	-51.8	0	0	0	0	112.1	V448 K449 F464 F470 Y494	V448-V499 HydrophobicContact CB-CB 4.1Å; V448-V499 HydrophobicContact CB-CG2 4Å; V448-V499 HydrophobicContact CG1-CG2 4.26Å; V448-V499 HydrophobicContact CG2-CB 4.29Å; V448-V499 HydrophobicContact CG2-CG1 4.38Å; V448-V499 HydrophobicContact CG2-CG2 4.24Å; K449-V499 CarbonylContact O-C 3.59Å; K449-V499 WeakPolarHBondContact O-CA 3.18Å; K449-V499 WeakPolarHBondContact O-CB 3.49Å; F464-V499 HydrophobicContact CE2-CG1 4.49Å; F464-V499 HydrophobicContact CZ-CG1 4.38Å; F470-V499 HydrophobicContact CE1-CG1 3.88Å; F470-V499 HydrophobicContact CE2-CG1 4.45Å; F470-V499 HydrophobicContact CZ-CG1 3.49Å; F470-V499 VanDerWaalsContact CZ-CG1 3.49Å; Y494-V499 HydrophobicContact CD2-CG1 3.89Å; Y494-V499 HydrophobicContact CD2-CG2 4.37Å; Y494-V499 HydrophobicContact CE2-CB 4.31Å; Y494-V499 HydrophobicContact CE2-CG1 3.75Å; Y494-V499 HydrophobicContact CE2-CG2 3.51Å
500	E	94.1	Very high	90.9	Very high	96 Å²	96	69.8 Å²	69.8	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.1	167.3	63.6	-178.9	176.9	0	0	110.7	V448 K449 L451 I502	V448-E500 CarbonylContact C-O 3.49Å; V448-E500 VanDerWaalsContact CA-O 3.24Å; V448-E500 WeakPolarHBondContact CA-O 3.34Å; K449-E500 HydrophobicContact CB-CG 4.09Å; K449-E500 PolarHBondContact N-O 3Å; K449-E500 PolarHBondContact O-N 3.43Å; L451-E500 HydrophobicContact CD1-CB 4.31Å; L451-E500 HydrophobicContact CD2-CB 4.2Å; L451-E500 HydrophobicContact CD2-CG 3.81Å; L451-E500 HydrophobicContact CG-CB 4.32Å; L451-E500 HydrophobicContact CG-CG 4.3Å; E500-I502 PolarHBondContact O-N 3.35Å
501	D	90.8	Very high	91	Very high	97 Å²	97	67.8 Å²	67.8	52%	0.519	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.3	173.8	-68.4	-19.1	0	0	0	110	V446 V448 Q503	V446-D501 HydrophobicContact CG1-CB 4.13Å; V448-D501 WeakPolarHBondContact CG1-OD1 3.36Å; D501-Q503 PolarHBondContact O-N 3.29Å
502	I	85.7	Confident	90.7	Very high	56 Å²	56	67.4 Å²	67.4	29%	0.287	34%	0.34	S	S	.	.			trans	-85.1	109.1	172.6	-52.8	175.7	0	0	0	106.9	P447 K449 E469 E500	P447-I502 HydrophobicContact CB-CB 4.26Å; P447-I502 HydrophobicContact CB-CD1 4.34Å; P447-I502 HydrophobicContact CG-CB 4.2Å; P447-I502 WeakPolarHBondContact O-CB 3.27Å; P447-I502 PolarHBondContact O-N 3.12Å; K449-I502 HydrophobicContact CB-CD1 3.87Å; K449-I502 HydrophobicContact CB-CG1 3.85Å; E469-I502 HydrophobicContact CB-CD1 4.21Å; E469-I502 HydrophobicContact CG-CD1 3.78Å; E500-I502 PolarHBondContact O-N 3.35Å
503	Q	61.4	Low	90.3	Very high	257 Å²	257	73 Å²	73	100%	1.201	37%	0.365	S	S	*	.			trans	-74.4	0	174.3	-83.6	-174.2	-10.4	0	0	113.2	D501	D501-Q503 PolarHBondContact O-N 3.29Å

Retrieved 503 of 503 residues in 205.4 ms (Link to these results)

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