A0A077YYR9_TRITR Loading...

Hsp90 chaperone protein kinase-targeting subunit

AlphaFold DB , UniProt , Accession A0A077YYR9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 369 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	72.8	Confident	89.1	Confident	232 Å²	232	130.4 Å²	130.4	100%	1.143	63%	0.629	S	S	*	*				0	133.1	0	-62.7	-178.3	-158	0	0	107
2	P	81.8	Confident	89.6	Confident	128 Å²	128	123.1 Å²	123.1	83%	0.831	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-55.5	140.4	168.8	-18.9	31.5	0	0	0	109.2	D4	P2-D4 PolarHBondContact O-N 3.44Å
3	I	86.3	Confident	90	Very high	131 Å²	131	120.3 Å²	120.3	67%	0.672	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-71.2	122.1	174.8	-58.5	167	0	0	0	106.8	Y5	I3-Y5 HydrophobicContact CB-CE2 4.22Å; I3-Y5 HydrophobicContact CG2-CD1 4.47Å; I3-Y5 HydrophobicContact CG2-CD2 4.41Å; I3-Y5 HydrophobicContact CG2-CE1 3.79Å; I3-Y5 HydrophobicContact CG2-CE2 3.73Å; I3-Y5 WeakPolarHBondContact CG2-OH 3.34Å
4	D	91	Very high	90.3	Very high	114 Å²	114	113.1 Å²	113.1	61%	0.61	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-98.2	117	-177.2	-173.4	17.9	0	0	0	111.3	P2 S6	P2-D4 PolarHBondContact O-N 3.44Å; D4-S6 WeakPolarHBondContact OD1-CA 3.39Å; D4-S6 WeakPolarHBondContact OD1-CB 3.46Å; D4-S6 PolarHBondContact OD1-N 3.24Å; D4-S6 PolarHBondContact OD1-OG 2.85Å; D4-S6 PolarHBondContact OD2-OG 2.84Å
5	Y	92.4	Very high	90.6	Very high	150 Å²	150	112.3 Å²	112.3	59%	0.588	55%	0.55	S	S	*	.			trans	-103.7	13.4	173.9	-57.2	-71	0	0	0	112.2	I3 R7 W8	I3-Y5 HydrophobicContact CB-CE2 4.22Å; I3-Y5 HydrophobicContact CG2-CD1 4.47Å; I3-Y5 HydrophobicContact CG2-CD2 4.41Å; I3-Y5 HydrophobicContact CG2-CE1 3.79Å; I3-Y5 HydrophobicContact CG2-CE2 3.73Å; I3-Y5 WeakPolarHBondContact CG2-OH 3.34Å; Y5-R7 PolarHBondContact O-N 3.43Å; Y5-R7 VanDerWaalsContact O-N 3.08Å; Y5-W8 HydrophobicContact CD1-CE3 4.11Å; Y5-W8 AromaticContact CD1-CZ3 3.76Å; Y5-W8 HydrophobicContact CD1-CZ3 3.76Å; Y5-W8 PolarHBondContact O-N 3.06Å
6	S	91.9	Very high	90.9	Very high	49 Å²	49	107.9 Å²	107.9	34%	0.343	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-55.9	-27.9	-176.6	64.9	0	0	0	0	114.3	D4 W8 K9	D4-S6 WeakPolarHBondContact OD1-CA 3.39Å; D4-S6 WeakPolarHBondContact OD1-CB 3.46Å; D4-S6 PolarHBondContact OD1-N 3.24Å; D4-S6 PolarHBondContact OD1-OG 2.85Å; D4-S6 PolarHBondContact OD2-OG 2.84Å; S6-W8 PolarHBondContact O-N 2.71Å; S6-W8 VanDerWaalsContact O-N 3.12Å; S6-K9 WeakPolarHBondContact O-CB 3.48Å; S6-K9 WeakPolarHBondContact O-CG 3.49Å; S6-K9 PolarHBondContact O-N 3.3Å; S6-K9 VanDerWaalsContact O-N 3.15Å
7	R	89.5	Confident	91.1	Very high	160 Å²	160	110.6 Å²	110.6	60%	0.604	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-54.9	-28.9	175.9	-173.5	175.8	177.9	178.6	-0.1	113.4	Y5 W112	Y5-R7 PolarHBondContact O-N 3.43Å; Y5-R7 VanDerWaalsContact O-N 3.08Å; R7-W112 HydrophobicContact CG-CZ2 4.34Å; R7-W112 VanDerWaalsContact O-CD1 3.27Å; R7-W112 PolarHBondContact O-NE1 3.04Å
8	W	92.7	Very high	91.3	Very high	137 Å²	137	112.4 Å²	112.4	52%	0.519	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-105.4	18	-176.6	-61.4	-77.7	0	0	0	113.7	Y5 S6 I11	Y5-W8 HydrophobicContact CD1-CE3 4.11Å; Y5-W8 AromaticContact CD1-CZ3 3.76Å; Y5-W8 HydrophobicContact CD1-CZ3 3.76Å; Y5-W8 PolarHBondContact O-N 3.06Å; S6-W8 PolarHBondContact O-N 2.71Å; S6-W8 VanDerWaalsContact O-N 3.12Å; W8-I11 HydrophobicContact CB-CD1 4.11Å
9	K	93.5	Very high	91.4	Very high	153 Å²	153	111.8 Å²	111.8	67%	0.665	55%	0.552	S	S	*	*	S	Bend	trans	-71.5	-35.2	179.6	-75.9	173.1	176.5	176.2	0	113.1	S6	S6-K9 WeakPolarHBondContact O-CB 3.48Å; S6-K9 WeakPolarHBondContact O-CG 3.49Å; S6-K9 PolarHBondContact O-N 3.3Å; S6-K9 VanDerWaalsContact O-N 3.15Å
10	D	93	Very high	91.5	Very high	101 Å²	101	109.7 Å²	109.7	54%	0.54	55%	0.546	S	S	.	.			trans	-110	75.8	-172.5	-60	-30.6	0	0	0	110	P111 W112	D10-P111 CarbonylContact O-C 3.59Å; D10-P111 WeakPolarHBondContact O-CA 3.49Å; D10-W112 WeakPolarHBondContact O-CB 3.29Å; D10-W112 PolarHBondContact O-N 2.88Å
11	I	95.1	Very high	91.7	Very high	79 Å²	79	109.3 Å²	109.3	41%	0.405	54%	0.542	S	S	.	.	B	Isolated β-bridge	trans	-105.7	125.6	174.9	-57.4	176.2	0	0	0	108.7	W8 I13 W112 I117	W8-I11 HydrophobicContact CB-CD1 4.11Å; I11-I13 HydrophobicContact CG2-CD1 4.4Å; I11-I13 HydrophobicContact CG2-CG1 3.96Å; I11-W112 CarbonylContact C-O 3.26Å; I11-W112 WeakPolarHBondContact CA-O 3.34Å; I11-W112 HydrophobicContact CG1-CB 4.05Å; I11-I117 HydrophobicContact CG2-CD1 4.2Å
12	E	94.8	Very high	92.7	Very high	43 Å²	43	104.2 Å²	104.2	20%	0.201	53%	0.527	C	S	.	.			trans	-104.5	113.7	176	-170.8	-169.4	142.9	0	0	110.2	R40 P111 W112	E12-R40 IonicContact OE1-CZ 3.26Å; E12-R40 IonicContact OE1-NH2 2.75Å; E12-R40 PolarHBondContact OE1-NH2 3.37Å; E12-R40 IonicContact OE2-CZ 3.32Å; E12-R40 IonicContact OE2-NH1 3.27Å; E12-R40 PolarHBondContact OE2-NH1 3.36Å; E12-R40 IonicContact OE2-NH2 2.8Å; E12-R40 PolarHBondContact OE2-NH2 3.04Å; E12-P111 HydrophobicContact CB-CB 3.69Å; E12-W112 PolarHBondContact N-O 3.27Å
13	I	95.4	Very high	93.3	Very high	87 Å²	87	105 Å²	105	45%	0.446	52%	0.524	S	S	.	.			trans	-109	113.5	176.7	-56.2	175.4	0	0	0	107.7	I11 D15 D16	I11-I13 HydrophobicContact CG2-CD1 4.4Å; I11-I13 HydrophobicContact CG2-CG1 3.96Å; I13-D15 VanDerWaalsContact CG2-OD1 3.29Å; I13-D15 WeakPolarHBondContact CG2-OD1 3.26Å; I13-D15 PolarHBondContact O-N 2.89Å; I13-D16 HydrophobicContact CB-CB 4.07Å; I13-D16 HydrophobicContact CG2-CB 4.23Å; I13-D16 PolarHBondContact O-N 3.16Å
14	S	94.2	Very high	93.7	Very high	19 Å²	19	101.8 Å²	101.8	13%	0.133	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.1	-175.6	47.6	0	0	0	0	113.3	F30 R33	S14-F30 WeakPolarHBondContact O-CA 3.46Å; S14-F30 WeakPolarHBondContact O-CD1 3.13Å; S14-R33 WeakPolarHBondContact O-CD 3.49Å
15	D	95	Very high	93.8	Very high	102 Å²	102	101.1 Å²	101.1	55%	0.545	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	32.1	-179.3	58.6	-32.9	0	0	0	112.7	I13 E17 F30	I13-D15 VanDerWaalsContact CG2-OD1 3.29Å; I13-D15 WeakPolarHBondContact CG2-OD1 3.26Å; I13-D15 PolarHBondContact O-N 2.89Å; D15-E17 PolarHBondContact O-N 3.49Å; D15-E17 VanDerWaalsContact O-N 3.14Å; D15-F30 HydrophobicContact CB-CB 4.3Å; D15-F30 HydrophobicContact CB-CD2 4.2Å; D15-F30 HydrophobicContact CB-CG 4.13Å
16	D	95.2	Very high	93.9	Very high	41 Å²	41	96.2 Å²	96.2	22%	0.219	49%	0.492	C	S	.	.			trans	-65.1	109.2	175	-164.9	-26.7	0	0	0	111.4	I13 D18 D19 F30	I13-D16 HydrophobicContact CB-CB 4.07Å; I13-D16 HydrophobicContact CG2-CB 4.23Å; I13-D16 PolarHBondContact O-N 3.16Å; D16-D18 VanDerWaalsContact C-N 3.3Å; D16-D18 WeakPolarHBondContact OD1-CB 3.24Å; D16-D18 PolarHBondContact OD1-N 3.02Å; D16-D19 HydrophobicContact CB-CB 4.16Å; D16-D19 PolarHBondContact O-N 3.19Å; D16-D19 PolarHBondContact OD1-N 3.07Å; D16-F30 WeakPolarHBondContact O-CE1 3.36Å
17	E	94.8	Very high	94	Very high	155 Å²	155	97.1 Å²	97.1	72%	0.724	50%	0.497	S	S	*	.	S	Bend	trans	-75.5	-14.4	-179.3	64.6	-178.9	179.6	0	0	114.3	D15 T20	D15-E17 PolarHBondContact O-N 3.49Å; D15-E17 VanDerWaalsContact O-N 3.14Å; E17-T20 WeakPolarHBondContact O-CG2 3.45Å
18	D	94.8	Very high	94.3	Very high	143 Å²	143	92.3 Å²	92.3	77%	0.765	49%	0.488	S	S	*	.	S	Bend	trans	-83.1	-29.3	174.1	-69.4	-33.6	0	0	0	111.2	D16 T20	D16-D18 VanDerWaalsContact C-N 3.3Å; D16-D18 WeakPolarHBondContact OD1-CB 3.24Å; D16-D18 PolarHBondContact OD1-N 3.02Å; D18-T20 VanDerWaalsContact C-N 3.31Å; D18-T20 PolarHBondContact O-N 3.15Å; D18-T20 VanDerWaalsContact O-N 3.08Å
19	D	92.5	Very high	94.4	Very high	100 Å²	100	87.1 Å²	87.1	54%	0.535	47%	0.47	S	S	.	.	S	Bend	trans	-87.4	62.5	178	-90.8	-7.1	0	0	0	112.4	D16 R33	D16-D19 HydrophobicContact CB-CB 4.16Å; D16-D19 PolarHBondContact O-N 3.19Å; D16-D19 PolarHBondContact OD1-N 3.07Å; D19-R33 PolarHBondContact O-NH1 2.93Å; D19-R33 PolarHBondContact O-NH2 2.89Å
20	T	94	Very high	94.5	Very high	70 Å²	70	81.9 Å²	81.9	43%	0.429	45%	0.448	S	S	.	.			trans	-118.4	168.9	-177.7	64.3	0	0	0	0	112.6	E17 D18 T26 F30	E17-T20 WeakPolarHBondContact O-CG2 3.45Å; D18-T20 VanDerWaalsContact C-N 3.31Å; D18-T20 PolarHBondContact O-N 3.15Å; D18-T20 VanDerWaalsContact O-N 3.08Å; T20-T26 HydrophobicContact CG2-CG2 3.44Å; T20-T26 VanDerWaalsContact CG2-CG2 3.44Å; T20-F30 HydrophobicContact CG2-CZ 4.3Å
21	H	94.2	Very high	94.7	Very high	101 Å²	101	85.5 Å²	85.5	47%	0.468	45%	0.454	S	S	.	.			trans	-139	134.2	176	-171.9	-90.7	0	0	0	109.6	N23 V24	H21-N23 PolarHBondContact CE1-OD1 3.29Å; H21-N23 PolarHBondContact ND1-N 2.99Å; H21-N23 PolarHBondContact O-N 3.35Å; H21-V24 HydrophobicContact CB-CB 4.24Å; H21-V24 HydrophobicContact CB-CG2 3.94Å; H21-V24 PolarHBondContact O-N 3.39Å
22	P	94.2	Very high	94.7	Very high	126 Å²	126	89.6 Å²	89.6	82%	0.818	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.8	-175.6	-28.6	35.5	0	0	0	115.5
23	N	95.1	Very high	94.8	Very high	143 Å²	143	90.3 Å²	90.3	77%	0.765	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	7.4	179.9	-55.3	105.3	0	0	0	114.4	H21	H21-N23 PolarHBondContact CE1-OD1 3.29Å; H21-N23 PolarHBondContact ND1-N 2.99Å; H21-N23 PolarHBondContact O-N 3.35Å
24	V	93.4	Very high	94.8	Very high	65 Å²	65	89.8 Å²	89.8	39%	0.394	46%	0.461	S	S	.	.	S	Bend	trans	-118.9	130.8	-179.7	-179	0	0	0	0	109.4	H21 T26 L29	H21-V24 HydrophobicContact CB-CB 4.24Å; H21-V24 HydrophobicContact CB-CG2 3.94Å; H21-V24 PolarHBondContact O-N 3.39Å; V24-T26 PolarHBondContact O-N 2.93Å; V24-L29 HydrophobicContact CG1-CB 3.99Å; V24-L29 HydrophobicContact CG1-CD1 4.28Å; V24-L29 HydrophobicContact CG1-CD2 3.95Å; V24-L29 HydrophobicContact CG1-CG 4.3Å
25	D	95	Very high	94.9	Very high	100 Å²	100	94 Å²	94	54%	0.535	48%	0.478	S	S	.	.			trans	-72.3	106.7	176.2	177.9	39.3	0	0	0	110.8	P27 S28 L29	D25-P27 VanDerWaalsContact OD1-CD 3.3Å; D25-P27 WeakPolarHBondContact OD1-CD 3.48Å; D25-S28 PolarHBondContact O-N 3.13Å; D25-S28 PolarHBondContact O-OG 3.39Å; D25-S28 PolarHBondContact OD2-OG 3.45Å; D25-L29 PolarHBondContact O-N 3.48Å
26	T	94	Very high	94.9	Very high	47 Å²	47	90.1 Å²	90.1	29%	0.288	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-42.8	-171.7	52.5	0	0	0	0	113.8	T20 V24 S28 L29 F30	T20-T26 HydrophobicContact CG2-CG2 3.44Å; T20-T26 VanDerWaalsContact CG2-CG2 3.44Å; V24-T26 PolarHBondContact O-N 2.93Å; T26-S28 VanDerWaalsContact C-N 3.3Å; T26-S28 PolarHBondContact O-N 3Å; T26-L29 WeakPolarHBondContact O-CB 3.31Å; T26-L29 PolarHBondContact O-N 2.9Å; T26-L29 VanDerWaalsContact O-N 3.15Å; T26-F30 WeakPolarHBondContact O-CD2 3.15Å; T26-F30 VanDerWaalsContact O-CG 3.25Å; T26-F30 WeakPolarHBondContact O-CG 3.32Å; T26-F30 PolarHBondContact O-N 3.44Å
27	P	94	Very high	94.9	Very high	67 Å²	67	88.5 Å²	88.5	44%	0.435	45%	0.451	S	S	.	.	H	α-helix	trans	-51.9	-42.8	170.9	-27.3	26.4	0	0	0	114.9	D25 R31	D25-P27 VanDerWaalsContact OD1-CD 3.3Å; D25-P27 WeakPolarHBondContact OD1-CD 3.48Å; P27-R31 WeakPolarHBondContact O-CG 3.34Å; P27-R31 PolarHBondContact O-N 3.5Å
28	S	95	Very high	94.9	Very high	60 Å²	60	84.9 Å²	84.9	42%	0.42	44%	0.436	S	S	.	.	H	α-helix	trans	-73.6	-37.6	178.6	74.7	0	0	0	0	111.8	D25 T26 R31 W32	D25-S28 PolarHBondContact O-N 3.13Å; D25-S28 PolarHBondContact O-OG 3.39Å; D25-S28 PolarHBondContact OD2-OG 3.45Å; T26-S28 VanDerWaalsContact C-N 3.3Å; T26-S28 PolarHBondContact O-N 3Å; S28-R31 PolarHBondContact O-N 2.91Å; S28-W32 WeakPolarHBondContact O-CB 3.45Å; S28-W32 PolarHBondContact O-N 3.02Å
29	L	95.1	Very high	94.9	Very high	28 Å²	28	83.6 Å²	83.6	15%	0.147	43%	0.426	C	S	.	.	H	α-helix	trans	-62.8	-45	177.4	179.7	64.3	0	0	0	112	V24 D25 T26 R31 W32 R33	V24-L29 HydrophobicContact CG1-CB 3.99Å; V24-L29 HydrophobicContact CG1-CD1 4.28Å; V24-L29 HydrophobicContact CG1-CD2 3.95Å; V24-L29 HydrophobicContact CG1-CG 4.3Å; D25-L29 PolarHBondContact O-N 3.48Å; T26-L29 WeakPolarHBondContact O-CB 3.31Å; T26-L29 PolarHBondContact O-N 2.9Å; T26-L29 VanDerWaalsContact O-N 3.15Å; L29-R31 VanDerWaalsContact C-N 3.35Å; L29-R31 PolarHBondContact O-N 3.13Å; L29-W32 HydrophobicContact CD1-CE3 4.34Å; L29-W32 PolarHBondContact O-N 3.41Å; L29-R33 HydrophobicContact CD1-CG 4.36Å; L29-R33 HydrophobicContact CG-CG 4.48Å; L29-R33 WeakPolarHBondContact O-CG 3.43Å; L29-R33 PolarHBondContact O-N 3.42Å
30	F	96.6	Very high	94.9	Very high	43 Å²	43	84.3 Å²	84.3	19%	0.189	42%	0.421	C	S	.	.	H	α-helix	trans	-64.6	-40.1	-179.6	-61.3	-26.1	0	0	0	112.2	S14 D15 D16 T20 T26 R33 H34	S14-F30 WeakPolarHBondContact O-CA 3.46Å; S14-F30 WeakPolarHBondContact O-CD1 3.13Å; D15-F30 HydrophobicContact CB-CB 4.3Å; D15-F30 HydrophobicContact CB-CD2 4.2Å; D15-F30 HydrophobicContact CB-CG 4.13Å; D16-F30 WeakPolarHBondContact O-CE1 3.36Å; T20-F30 HydrophobicContact CG2-CZ 4.3Å; T26-F30 WeakPolarHBondContact O-CD2 3.15Å; T26-F30 VanDerWaalsContact O-CG 3.25Å; T26-F30 WeakPolarHBondContact O-CG 3.32Å; T26-F30 PolarHBondContact O-N 3.44Å; F30-R33 PolarHBondContact O-N 3.35Å; F30-H34 WeakPolarHBondContact O-CB 3.34Å; F30-H34 PolarHBondContact O-N 3.14Å
31	R	95.5	Very high	94.9	Very high	177 Å²	177	83 Å²	83	67%	0.668	41%	0.41	S	S	*	.	H	α-helix	trans	-62.5	-44.7	172.5	-67.8	177.5	-167.4	177.7	5	111.2	P27 S28 L29 H34 E35	P27-R31 WeakPolarHBondContact O-CG 3.34Å; P27-R31 PolarHBondContact O-N 3.5Å; S28-R31 PolarHBondContact O-N 2.91Å; L29-R31 VanDerWaalsContact C-N 3.35Å; L29-R31 PolarHBondContact O-N 3.13Å; R31-H34 WeakPolarHBondContact O-CB 3.31Å; R31-H34 PolarHBondContact O-N 3.05Å; R31-E35 WeakPolarHBondContact O-CG 3.23Å; R31-E35 PolarHBondContact O-N 2.85Å
32	W	96.1	Very high	94.9	Very high	164 Å²	164	81.3 Å²	81.3	62%	0.621	40%	0.402	S	S	*	.	H	α-helix	trans	-63.1	-44.8	177.9	-178.9	82.8	0	0	0	112.4	S28 L29 H34 E35 A36	S28-W32 WeakPolarHBondContact O-CB 3.45Å; S28-W32 PolarHBondContact O-N 3.02Å; L29-W32 HydrophobicContact CD1-CE3 4.34Å; L29-W32 PolarHBondContact O-N 3.41Å; W32-H34 VanDerWaalsContact C-N 3.33Å; W32-H34 PolarHBondContact O-N 3.37Å; W32-E35 PolarHBondContact O-N 2.71Å; W32-A36 VanDerWaalsContact O-CB 3.32Å; W32-A36 WeakPolarHBondContact O-CB 3.37Å; W32-A36 PolarHBondContact O-N 3.15Å
33	R	96.1	Very high	94.9	Very high	58 Å²	58	81.1 Å²	81.1	22%	0.219	39%	0.391	C	S	.	.	H	α-helix	trans	-59.3	-44	174.4	-75.8	179.5	175.7	163.6	1.3	111.2	S14 D19 L29 F30 A36 R37	S14-R33 WeakPolarHBondContact O-CD 3.49Å; D19-R33 PolarHBondContact O-NH1 2.93Å; D19-R33 PolarHBondContact O-NH2 2.89Å; L29-R33 HydrophobicContact CD1-CG 4.36Å; L29-R33 HydrophobicContact CG-CG 4.48Å; L29-R33 WeakPolarHBondContact O-CG 3.43Å; L29-R33 PolarHBondContact O-N 3.42Å; F30-R33 PolarHBondContact O-N 3.35Å; R33-A36 PolarHBondContact O-N 2.97Å; R33-R37 WeakPolarHBondContact O-CB 3.45Å; R33-R37 PolarHBondContact O-N 3.46Å
34	H	95.6	Very high	94.7	Very high	77 Å²	77	75.8 Å²	75.8	36%	0.356	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-48.1	175.3	-179.9	82.4	0	0	0	112	F30 R31 W32 A36 R37 L38	F30-H34 WeakPolarHBondContact O-CB 3.34Å; F30-H34 PolarHBondContact O-N 3.14Å; R31-H34 WeakPolarHBondContact O-CB 3.31Å; R31-H34 PolarHBondContact O-N 3.05Å; W32-H34 VanDerWaalsContact C-N 3.33Å; W32-H34 PolarHBondContact O-N 3.37Å; H34-A36 PolarHBondContact O-N 3.41Å; H34-R37 WeakPolarHBondContact O-CB 3.42Å; H34-R37 PolarHBondContact O-N 3.14Å; H34-L38 WeakPolarHBondContact NE2-CD1 3.43Å; H34-L38 WeakPolarHBondContact O-CG 3.35Å; H34-L38 PolarHBondContact O-N 3.09Å
35	E	96	Very high	94.7	Very high	108 Å²	108	78.6 Å²	78.6	51%	0.505	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-44.4	176.1	-74.8	177.2	-169.6	0	0	112	R31 W32 R37 L38 Q39	R31-E35 WeakPolarHBondContact O-CG 3.23Å; R31-E35 PolarHBondContact O-N 2.85Å; W32-E35 PolarHBondContact O-N 2.71Å; E35-R37 VanDerWaalsContact C-N 3.3Å; E35-R37 PolarHBondContact O-N 3.38Å; E35-L38 PolarHBondContact O-N 3.13Å; E35-Q39 WeakPolarHBondContact O-CB 3.18Å; E35-Q39 VanDerWaalsContact O-CG 3.31Å; E35-Q39 WeakPolarHBondContact O-CG 3.24Å; E35-Q39 PolarHBondContact O-N 3.35Å
36	A	95.6	Very high	94.7	Very high	20 Å²	20	79.5 Å²	79.5	17%	0.165	36%	0.364	C	S	.	.	H	α-helix	trans	-63.3	-35.5	177.5	0	0	0	0	0	112.3	W32 R33 H34 R40	W32-A36 VanDerWaalsContact O-CB 3.32Å; W32-A36 WeakPolarHBondContact O-CB 3.37Å; W32-A36 PolarHBondContact O-N 3.15Å; R33-A36 PolarHBondContact O-N 2.97Å; H34-A36 PolarHBondContact O-N 3.41Å; A36-R40 WeakPolarHBondContact O-CG 3.45Å; A36-R40 PolarHBondContact O-N 3.36Å; A36-R40 PolarHBondContact O-NE 3.04Å
37	R	94.7	Very high	94.6	Very high	7 Å²	7	79.6 Å²	79.6	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-66.2	-47.2	173.5	-171	-179.5	71.3	85.7	2.1	111.3	R33 H34 E35 Q39 R40 M41 N113 D115	R33-R37 WeakPolarHBondContact O-CB 3.45Å; R33-R37 PolarHBondContact O-N 3.46Å; H34-R37 WeakPolarHBondContact O-CB 3.42Å; H34-R37 PolarHBondContact O-N 3.14Å; E35-R37 VanDerWaalsContact C-N 3.3Å; E35-R37 PolarHBondContact O-N 3.38Å; R37-Q39 VanDerWaalsContact C-N 3.34Å; R37-Q39 PolarHBondContact O-N 3.21Å; R37-R40 PolarHBondContact O-N 3.18Å; R37-M41 HydrophobicContact CG-CE 4.32Å; R37-M41 WeakPolarHBondContact O-CG 3.39Å; R37-M41 PolarHBondContact O-N 3.21Å; R37-N113 PolarHBondContact NH1-ND2 3.4Å; R37-N113 PolarHBondContact NH1-OD1 3.19Å; R37-D115 IonicContact CZ-OD2 3.72Å; R37-D115 VanDerWaalsContact CZ-OD2 3.24Å; R37-D115 IonicContact NH1-OD2 2.75Å; R37-D115 PolarHBondContact NH1-OD2 3.31Å; R37-D115 IonicContact NH2-OD2 3.95Å; R37-D115 PolarHBondContact NH2-OD2 3Å
38	L	94.6	Very high	94.6	Very high	78 Å²	78	79.1 Å²	79.1	41%	0.408	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-42.2	175.6	-69.4	179.2	0	0	0	111.9	H34 E35 M41 E42	H34-L38 WeakPolarHBondContact NE2-CD1 3.43Å; H34-L38 WeakPolarHBondContact O-CG 3.35Å; H34-L38 PolarHBondContact O-N 3.09Å; E35-L38 PolarHBondContact O-N 3.13Å; L38-M41 HydrophobicContact CD2-CE 3.73Å; L38-M41 PolarHBondContact O-N 3.14Å; L38-E42 WeakPolarHBondContact O-CB 3.4Å; L38-E42 PolarHBondContact O-N 3.02Å
39	Q	95.4	Very high	94.6	Very high	117 Å²	117	80.7 Å²	80.7	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-47.8	176.5	-73.8	174.5	9.1	0	0	111.8	E35 R37 M41 E42 E43	E35-Q39 WeakPolarHBondContact O-CB 3.18Å; E35-Q39 VanDerWaalsContact O-CG 3.31Å; E35-Q39 WeakPolarHBondContact O-CG 3.24Å; E35-Q39 PolarHBondContact O-N 3.35Å; R37-Q39 VanDerWaalsContact C-N 3.34Å; R37-Q39 PolarHBondContact O-N 3.21Å; Q39-M41 VanDerWaalsContact C-N 3.33Å; Q39-M41 PolarHBondContact O-N 3.02Å; Q39-E42 PolarHBondContact O-N 3.14Å; Q39-E43 WeakPolarHBondContact O-CG 3.38Å; Q39-E43 PolarHBondContact O-N 2.73Å
40	R	93.8	Very high	94.6	Very high	114 Å²	114	83.2 Å²	83.2	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-58.3	-43	175.7	-81.3	-175.4	-71.1	149.1	1.8	112.4	E12 A36 R37 K44	E12-R40 IonicContact OE1-CZ 3.26Å; E12-R40 IonicContact OE1-NH2 2.75Å; E12-R40 PolarHBondContact OE1-NH2 3.37Å; E12-R40 IonicContact OE2-CZ 3.32Å; E12-R40 IonicContact OE2-NH1 3.27Å; E12-R40 PolarHBondContact OE2-NH1 3.36Å; E12-R40 IonicContact OE2-NH2 2.8Å; E12-R40 PolarHBondContact OE2-NH2 3.04Å; A36-R40 WeakPolarHBondContact O-CG 3.45Å; A36-R40 PolarHBondContact O-N 3.36Å; A36-R40 PolarHBondContact O-NE 3.04Å; R37-R40 PolarHBondContact O-N 3.18Å; R40-K44 WeakPolarHBondContact O-CB 3.5Å; R40-K44 PolarHBondContact O-N 3.24Å
41	M	92.5	Very high	94.4	Very high	43 Å²	43	81.3 Å²	81.3	21%	0.212	36%	0.361	C	S	.	.	H	α-helix	trans	-66.7	-38.5	177.4	-69.4	-170.8	-58.4	0	0	112.1	R37 L38 Q39 K44 R45	R37-M41 HydrophobicContact CG-CE 4.32Å; R37-M41 WeakPolarHBondContact O-CG 3.39Å; R37-M41 PolarHBondContact O-N 3.21Å; L38-M41 HydrophobicContact CD2-CE 3.73Å; L38-M41 PolarHBondContact O-N 3.14Å; Q39-M41 VanDerWaalsContact C-N 3.33Å; Q39-M41 PolarHBondContact O-N 3.02Å; M41-K44 PolarHBondContact O-N 3.08Å; M41-R45 WeakPolarHBondContact O-CB 3.48Å; M41-R45 PolarHBondContact O-N 3.18Å
42	E	94.4	Very high	94.3	Very high	65 Å²	65	78.4 Å²	78.4	30%	0.304	36%	0.357	S	S	.	.	H	α-helix	trans	-67.4	-43.1	177.7	-176.9	60.3	-157	0	0	112.4	L38 Q39 R45 K46	L38-E42 WeakPolarHBondContact O-CB 3.4Å; L38-E42 PolarHBondContact O-N 3.02Å; Q39-E42 PolarHBondContact O-N 3.14Å; E42-R45 PolarHBondContact O-N 3.18Å; E42-R45 IonicContact OE1-CZ 3.55Å; E42-R45 IonicContact OE1-NE 3.93Å; E42-R45 IonicContact OE1-NH2 2.7Å; E42-R45 PolarHBondContact OE1-NH2 3.36Å; E42-R45 IonicContact OE2-CZ 2.89Å; E42-R45 IonicContact OE2-NE 2.67Å; E42-R45 PolarHBondContact OE2-NE 3.35Å; E42-R45 IonicContact OE2-NH1 2.73Å; E42-R45 IonicContact OE2-NH2 3.52Å; E42-R45 PolarHBondContact OE2-NH2 3.1Å; E42-K46 WeakPolarHBondContact O-CG 3.29Å; E42-K46 PolarHBondContact O-N 3.01Å; E42-K46 WeakPolarHBondContact OE1-CE 3.37Å
43	E	93.9	Very high	94.2	Very high	122 Å²	122	76.5 Å²	76.5	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-61.2	-45.5	174.7	-73.9	176.6	176.5	0	0	111.5	Q39 R45 K46 C47	Q39-E43 WeakPolarHBondContact O-CG 3.38Å; Q39-E43 PolarHBondContact O-N 2.73Å; E43-R45 PolarHBondContact O-N 2.69Å; E43-K46 PolarHBondContact O-N 2.74Å; E43-C47 PolarHBondContact O-N 3.47Å; E43-C47 PolarHBondContact O-SG 3.39Å
44	K	92	Very high	94.1	Very high	31 Å²	31	75.7 Å²	75.7	14%	0.135	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-47.3	177	-175.5	177.8	176	171.6	0	111.7	R40 M41 K46 C47 E48	R40-K44 WeakPolarHBondContact O-CB 3.5Å; R40-K44 PolarHBondContact O-N 3.24Å; M41-K44 PolarHBondContact O-N 3.08Å; K44-K46 VanDerWaalsContact C-N 3.3Å; K44-K46 PolarHBondContact O-N 3.01Å; K44-C47 WeakPolarHBondContact O-CB 3.34Å; K44-C47 PolarHBondContact O-N 2.97Å; K44-C47 VanDerWaalsContact O-N 3.13Å; K44-E48 WeakPolarHBondContact CE-OE1 3.31Å; K44-E48 WeakPolarHBondContact CG-OE1 3.48Å; K44-E48 WeakPolarHBondContact O-CG 3.47Å; K44-E48 PolarHBondContact O-N 3.26Å
45	R	93	Very high	93.9	Very high	124 Å²	124	73.2 Å²	73.2	47%	0.468	35%	0.345	S	S	.	.	H	α-helix	trans	-57	-41.6	175.8	-173.4	-179.3	73.8	162.6	3.4	112.3	M41 E42 E43 E48 Q49	M41-R45 WeakPolarHBondContact O-CB 3.48Å; M41-R45 PolarHBondContact O-N 3.18Å; E42-R45 PolarHBondContact O-N 3.18Å; E42-R45 IonicContact OE1-CZ 3.55Å; E42-R45 IonicContact OE1-NE 3.93Å; E42-R45 IonicContact OE1-NH2 2.7Å; E42-R45 PolarHBondContact OE1-NH2 3.36Å; E42-R45 IonicContact OE2-CZ 2.89Å; E42-R45 IonicContact OE2-NE 2.67Å; E42-R45 PolarHBondContact OE2-NE 3.35Å; E42-R45 IonicContact OE2-NH1 2.73Å; E42-R45 IonicContact OE2-NH2 3.52Å; E42-R45 PolarHBondContact OE2-NH2 3.1Å; E43-R45 PolarHBondContact O-N 2.69Å; R45-E48 PolarHBondContact O-N 3.01Å; R45-Q49 WeakPolarHBondContact O-CB 3.3Å; R45-Q49 VanDerWaalsContact O-CG 3.26Å; R45-Q49 WeakPolarHBondContact O-CG 3.43Å; R45-Q49 PolarHBondContact O-N 3.3Å
46	K	94.7	Very high	93.8	Very high	120 Å²	120	70.3 Å²	70.3	52%	0.522	34%	0.336	S	S	.	.	H	α-helix	trans	-65	-42.7	176.3	-73.3	172.6	-177.7	171.5	0	112	E42 E43 K44 Q49 E50	E42-K46 WeakPolarHBondContact O-CG 3.29Å; E42-K46 PolarHBondContact O-N 3.01Å; E42-K46 WeakPolarHBondContact OE1-CE 3.37Å; E43-K46 PolarHBondContact O-N 2.74Å; K44-K46 VanDerWaalsContact C-N 3.3Å; K44-K46 PolarHBondContact O-N 3.01Å; K46-Q49 PolarHBondContact O-N 2.83Å; K46-E50 WeakPolarHBondContact O-CB 3.15Å; K46-E50 PolarHBondContact O-N 2.69Å
47	C	92.9	Very high	93.7	Very high	49 Å²	49	72 Å²	72	33%	0.331	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-43.9	176.2	-73.6	0	0	0	0	112	E43 K44 E50 V51 L103	E43-C47 PolarHBondContact O-N 3.47Å; E43-C47 PolarHBondContact O-SG 3.39Å; K44-C47 WeakPolarHBondContact O-CB 3.34Å; K44-C47 PolarHBondContact O-N 2.97Å; K44-C47 VanDerWaalsContact O-N 3.13Å; C47-E50 PolarHBondContact O-N 2.82Å; C47-V51 WeakPolarHBondContact O-CG2 3.49Å; C47-V51 PolarHBondContact O-N 2.8Å; C47-L103 HydrophobicContact CB-CD1 4.45Å; C47-L103 HydrophobicContact CB-CD2 4.11Å
48	E	93.3	Very high	93.5	Very high	56 Å²	56	72.3 Å²	72.3	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-46.8	175.4	-73.1	167.1	-161.8	0	0	111.5	K44 R45 E50 V51 I52 L103	K44-E48 WeakPolarHBondContact CE-OE1 3.31Å; K44-E48 WeakPolarHBondContact CG-OE1 3.48Å; K44-E48 WeakPolarHBondContact O-CG 3.47Å; K44-E48 PolarHBondContact O-N 3.26Å; R45-E48 PolarHBondContact O-N 3.01Å; E48-E50 PolarHBondContact O-N 3.12Å; E48-V51 PolarHBondContact O-N 2.99Å; E48-I52 VanDerWaalsContact O-CG1 3.28Å; E48-I52 WeakPolarHBondContact O-CG1 3.46Å; E48-I52 PolarHBondContact O-N 3.03Å; E48-L103 HydrophobicContact CG-CD1 4.09Å
49	Q	94.5	Very high	93.2	Very high	93 Å²	93	70.9 Å²	70.9	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-46.2	176.4	-74.9	173.3	-3.6	0	0	111.9	R45 K46 V51 I52 E53	R45-Q49 WeakPolarHBondContact O-CB 3.3Å; R45-Q49 VanDerWaalsContact O-CG 3.26Å; R45-Q49 WeakPolarHBondContact O-CG 3.43Å; R45-Q49 PolarHBondContact O-N 3.3Å; K46-Q49 PolarHBondContact O-N 2.83Å; Q49-V51 VanDerWaalsContact C-N 3.32Å; Q49-V51 PolarHBondContact O-N 3.35Å; Q49-I52 PolarHBondContact O-N 3.37Å; Q49-E53 WeakPolarHBondContact O-CB 3.11Å; Q49-E53 WeakPolarHBondContact O-CG 3.39Å; Q49-E53 PolarHBondContact O-N 3.36Å
50	E	94.8	Very high	93.1	Very high	82 Å²	82	71.3 Å²	71.3	38%	0.383	34%	0.343	S	S	.	.	H	α-helix	trans	-59.1	-42.7	177.3	-175.8	-168.8	-156.9	0	0	111.6	K46 C47 E48 N54 W96 K99	K46-E50 WeakPolarHBondContact O-CB 3.15Å; K46-E50 PolarHBondContact O-N 2.69Å; C47-E50 PolarHBondContact O-N 2.82Å; E48-E50 PolarHBondContact O-N 3.12Å; E50-N54 WeakPolarHBondContact CG-ND2 3.36Å; E50-N54 VanDerWaalsContact O-CB 3.3Å; E50-N54 WeakPolarHBondContact O-CB 3.44Å; E50-N54 PolarHBondContact O-N 3.11Å; E50-N54 PolarHBondContact O-ND2 3.29Å; E50-W96 HydrophobicContact CG-CH2 3.92Å; E50-W96 HydrophobicContact CG-CZ3 4.08Å; E50-K99 IonicContact OE2-NZ 3.28Å; E50-K99 PolarHBondContact OE2-NZ 2.79Å
51	V	93.9	Very high	93	Very high	3 Å²	3	70.8 Å²	70.8	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-45.9	177.9	170.3	0	0	0	0	111	C47 E48 Q49 N54 L55 W96 K99 E100 L103	C47-V51 WeakPolarHBondContact O-CG2 3.49Å; C47-V51 PolarHBondContact O-N 2.8Å; E48-V51 PolarHBondContact O-N 2.99Å; Q49-V51 VanDerWaalsContact C-N 3.32Å; Q49-V51 PolarHBondContact O-N 3.35Å; V51-N54 PolarHBondContact O-N 2.9Å; V51-L55 HydrophobicContact CG1-CD1 3.8Å; V51-L55 HydrophobicContact CG1-CG 4.39Å; V51-L55 WeakPolarHBondContact O-CB 3.46Å; V51-L55 WeakPolarHBondContact O-CG 3.35Å; V51-L55 PolarHBondContact O-N 3.44Å; V51-W96 HydrophobicContact CB-CE3 4.39Å; V51-W96 HydrophobicContact CG2-CE3 3.89Å; V51-W96 HydrophobicContact CG2-CZ3 3.91Å; V51-K99 HydrophobicContact CG2-CB 4.31Å; V51-K99 HydrophobicContact CG2-CD 3.76Å; V51-K99 HydrophobicContact CG2-CG 3.85Å; V51-E100 HydrophobicContact CG1-CB 3.77Å; V51-E100 HydrophobicContact CG1-CG 4.11Å; V51-L103 HydrophobicContact CB-CD1 4.23Å; V51-L103 HydrophobicContact CG2-CD1 3.67Å
52	I	93.1	Very high	92.8	Very high	115 Å²	115	69 Å²	69	59%	0.59	34%	0.336	S	S	*	.	H	α-helix	trans	-62.2	-47.3	179	-68.7	165.4	0	0	0	110.8	E48 Q49 S56	E48-I52 VanDerWaalsContact O-CG1 3.28Å; E48-I52 WeakPolarHBondContact O-CG1 3.46Å; E48-I52 PolarHBondContact O-N 3.03Å; Q49-I52 PolarHBondContact O-N 3.37Å; I52-S56 WeakPolarHBondContact O-CB 3.44Å; I52-S56 PolarHBondContact O-N 2.85Å
53	E	94.3	Very high	92.6	Very high	125 Å²	125	71.7 Å²	71.7	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-59.8	-51.3	178.9	-76.2	-177.5	176.6	0	0	110.8	Q49 S56 T57	Q49-E53 WeakPolarHBondContact O-CB 3.11Å; Q49-E53 WeakPolarHBondContact O-CG 3.39Å; Q49-E53 PolarHBondContact O-N 3.36Å; E53-S56 PolarHBondContact O-N 2.83Å; E53-S56 PolarHBondContact O-OG 3.25Å; E53-T57 WeakPolarHBondContact O-CG2 3.24Å; E53-T57 PolarHBondContact O-N 3.16Å
54	N	93.2	Very high	92.5	Very high	41 Å²	41	72.3 Å²	72.3	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-51.3	-179.9	-81.3	-60.2	0	0	0	111.7	E50 V51 S56 T57 F58 W96	E50-N54 WeakPolarHBondContact CG-ND2 3.36Å; E50-N54 VanDerWaalsContact O-CB 3.3Å; E50-N54 WeakPolarHBondContact O-CB 3.44Å; E50-N54 PolarHBondContact O-N 3.11Å; E50-N54 PolarHBondContact O-ND2 3.29Å; V51-N54 PolarHBondContact O-N 2.9Å; N54-S56 VanDerWaalsContact C-N 3.26Å; N54-S56 PolarHBondContact O-N 3.18Å; N54-T57 PolarHBondContact O-N 3.42Å; N54-T57 PolarHBondContact O-OG1 2.98Å; N54-F58 HydrophobicContact CB-CD2 4.27Å; N54-F58 HydrophobicContact CB-CE2 3.94Å; N54-F58 WeakPolarHBondContact O-CD2 3.36Å; N54-F58 PolarHBondContact O-N 3.47Å; N54-W96 HydrophobicContact CB-CD2 3.79Å; N54-W96 HydrophobicContact CB-CE3 3.99Å; N54-W96 HydrophobicContact CB-CG 4.27Å; N54-W96 HydrophobicContact CB-CH2 4.25Å; N54-W96 HydrophobicContact CB-CZ2 4.04Å; N54-W96 HydrophobicContact CB-CZ3 4.2Å; N54-W96 WeakPolarHBondContact ND2-CH2 3.42Å; N54-W96 WeakPolarHBondContact ND2-CZ2 3.2Å
55	L	92.3	Very high	92.3	Very high	24 Å²	24	71.3 Å²	71.3	13%	0.126	35%	0.345	C	S	.	.	H	α-helix	trans	-57	-39.8	177	-74.1	174.7	0	0	0	112.3	V51 F58 S59 E93 W96 R97 E100	V51-L55 HydrophobicContact CG1-CD1 3.8Å; V51-L55 HydrophobicContact CG1-CG 4.39Å; V51-L55 WeakPolarHBondContact O-CB 3.46Å; V51-L55 WeakPolarHBondContact O-CG 3.35Å; V51-L55 PolarHBondContact O-N 3.44Å; L55-F58 PolarHBondContact O-N 3.04Å; L55-S59 WeakPolarHBondContact O-CB 3.27Å; L55-S59 PolarHBondContact O-N 3.04Å; L55-E93 HydrophobicContact CD2-CG 4.06Å; L55-W96 HydrophobicContact CD2-CB 3.61Å; L55-W96 HydrophobicContact CG-CB 4.04Å; L55-R97 HydrophobicContact CD2-CG 3.85Å; L55-E100 HydrophobicContact CD1-CB 4.34Å; L55-E100 HydrophobicContact CD1-CG 4.44Å; L55-E100 WeakPolarHBondContact CD1-OE2 3.32Å
56	S	92.6	Very high	92	Very high	47 Å²	47	72 Å²	72	33%	0.329	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-38.2	176.6	83.7	0	0	0	0	112.6	I52 E53 N54 K60	I52-S56 WeakPolarHBondContact O-CB 3.44Å; I52-S56 PolarHBondContact O-N 2.85Å; E53-S56 PolarHBondContact O-N 2.83Å; E53-S56 PolarHBondContact O-OG 3.25Å; N54-S56 VanDerWaalsContact C-N 3.26Å; N54-S56 PolarHBondContact O-N 3.18Å; S56-K60 VanDerWaalsContact O-CG 3.3Å; S56-K60 WeakPolarHBondContact O-CG 3.31Å; S56-K60 PolarHBondContact O-N 3.34Å; S56-K60 VanDerWaalsContact O-N 3.13Å
57	T	93.2	Very high	91.7	Very high	57 Å²	57	69.7 Å²	69.7	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-71.2	-39.3	177.4	65.8	0	0	0	0	111.6	E53 N54 K60 K61	E53-T57 WeakPolarHBondContact O-CG2 3.24Å; E53-T57 PolarHBondContact O-N 3.16Å; N54-T57 PolarHBondContact O-N 3.42Å; N54-T57 PolarHBondContact O-OG1 2.98Å; T57-K60 PolarHBondContact O-N 2.73Å; T57-K61 WeakPolarHBondContact O-CB 3.46Å; T57-K61 VanDerWaalsContact O-CG 3.32Å; T57-K61 WeakPolarHBondContact O-CG 3.32Å; T57-K61 PolarHBondContact O-N 3.28Å
58	F	90.4	Very high	91.4	Very high	13 Å²	13	71.7 Å²	71.7	6%	0.057	35%	0.351	C	S	.	.	H	α-helix	trans	-64.2	-48.1	175.9	-71.6	-56.9	0	0	0	111.1	N54 L55 K60 K61 T62 L89 Q92 E93 W96	N54-F58 HydrophobicContact CB-CD2 4.27Å; N54-F58 HydrophobicContact CB-CE2 3.94Å; N54-F58 WeakPolarHBondContact O-CD2 3.36Å; N54-F58 PolarHBondContact O-N 3.47Å; L55-F58 PolarHBondContact O-N 3.04Å; F58-K60 VanDerWaalsContact C-N 3.32Å; F58-K60 PolarHBondContact O-N 2.87Å; F58-K61 PolarHBondContact O-N 3.18Å; F58-K61 VanDerWaalsContact O-N 3.1Å; F58-T62 WeakPolarHBondContact O-CG2 3.34Å; F58-T62 PolarHBondContact O-N 3.48Å; F58-T62 PolarHBondContact O-OG1 2.88Å; F58-T62 VanDerWaalsContact O-OG1 3.06Å; F58-L89 HydrophobicContact CD1-CD2 3.61Å; F58-L89 HydrophobicContact CE1-CD2 3.84Å; F58-Q92 HydrophobicContact CD1-CB 4.49Å; F58-Q92 HydrophobicContact CE1-CB 3.98Å; F58-Q92 HydrophobicContact CZ-CB 4.05Å; F58-E93 HydrophobicContact CB-CB 4.45Å; F58-W96 AromaticContact CD2-CD1 3.78Å; F58-W96 HydrophobicContact CD2-CG 4.45Å; F58-W96 AromaticContact CE2-CD1 3.21Å; F58-W96 HydrophobicContact CE2-CG 4.14Å; F58-W96 AromaticContact CE2-NE1 3.32Å; F58-W96 VanDerWaalsContact CE2-NE1 3.32Å; F58-W96 AromaticContact CZ-NE1 3.9Å
59	S	89.6	Confident	90.9	Very high	47 Å²	47	70.9 Å²	70.9	33%	0.329	35%	0.348	S	S	.	.	H	α-helix	trans	-55.3	-44.7	175.1	168.4	0	0	0	0	112.3	L55 K61 T62 E63	L55-S59 WeakPolarHBondContact O-CB 3.27Å; L55-S59 PolarHBondContact O-N 3.04Å; S59-K61 PolarHBondContact O-N 3.08Å; S59-T62 WeakPolarHBondContact CA-OG1 3.25Å; S59-T62 PolarHBondContact O-OG1 3.41Å; S59-E63 WeakPolarHBondContact O-CB 3.31Å; S59-E63 WeakPolarHBondContact O-CG 3.47Å; S59-E63 PolarHBondContact O-N 3.1Å
60	K	92.3	Very high	90.5	Very high	126 Å²	126	70.5 Å²	70.5	55%	0.548	36%	0.36	S	S	.	.	H	α-helix	trans	-65.4	-38.7	176.2	-71.8	171	-174.5	171.6	0	113	S56 T57 F58 K64	S56-K60 VanDerWaalsContact O-CG 3.3Å; S56-K60 WeakPolarHBondContact O-CG 3.31Å; S56-K60 PolarHBondContact O-N 3.34Å; S56-K60 VanDerWaalsContact O-N 3.13Å; T57-K60 PolarHBondContact O-N 2.73Å; F58-K60 VanDerWaalsContact C-N 3.32Å; F58-K60 PolarHBondContact O-N 2.87Å; K60-K64 VanDerWaalsContact O-CG 3.28Å; K60-K64 WeakPolarHBondContact O-CG 3.32Å; K60-K64 PolarHBondContact O-N 2.93Å; K60-K64 VanDerWaalsContact O-N 3.13Å
61	K	91.6	Very high	89.7	Confident	103 Å²	103	70.8 Å²	70.8	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-69.6	-43.9	178.3	-74.9	176.4	-177.7	177.9	0	111.4	T57 F58 S59 E63 K64 I65 L89	T57-K61 WeakPolarHBondContact O-CB 3.46Å; T57-K61 VanDerWaalsContact O-CG 3.32Å; T57-K61 WeakPolarHBondContact O-CG 3.32Å; T57-K61 PolarHBondContact O-N 3.28Å; F58-K61 PolarHBondContact O-N 3.18Å; F58-K61 VanDerWaalsContact O-N 3.1Å; S59-K61 PolarHBondContact O-N 3.08Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-E63 PolarHBondContact O-N 3.24Å; K61-K64 PolarHBondContact O-N 3.37Å; K61-I65 WeakPolarHBondContact O-CG1 3.49Å; K61-I65 PolarHBondContact O-N 2.97Å; K61-L89 HydrophobicContact CB-CD1 4.05Å; K61-L89 HydrophobicContact CB-CD2 4.39Å; K61-L89 HydrophobicContact CD-CD2 4.06Å
62	T	88.8	Confident	88	Confident	7 Å²	7	74.1 Å²	74.1	4%	0.043	41%	0.406	C	S	.	.	H	α-helix	trans	-65.1	-39.2	178.8	55.7	0	0	0	0	111.2	F58 S59 R66 L89	F58-T62 WeakPolarHBondContact O-CG2 3.34Å; F58-T62 PolarHBondContact O-N 3.48Å; F58-T62 PolarHBondContact O-OG1 2.88Å; F58-T62 VanDerWaalsContact O-OG1 3.06Å; S59-T62 WeakPolarHBondContact CA-OG1 3.25Å; S59-T62 PolarHBondContact O-OG1 3.41Å; T62-R66 VanDerWaalsContact O-CB 3.31Å; T62-R66 WeakPolarHBondContact O-CB 3.49Å; T62-R66 WeakPolarHBondContact O-CG 3.48Å; T62-R66 PolarHBondContact O-N 3.43Å; T62-L89 HydrophobicContact CG2-CB 3.88Å; T62-L89 HydrophobicContact CG2-CD1 4.39Å
63	E	90.3	Very high	86.8	Confident	121 Å²	121	72.2 Å²	72.2	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-62	-45.2	172.5	-78	177	-178.4	0	0	112.7	S59 K61 R66 S67	S59-E63 WeakPolarHBondContact O-CB 3.31Å; S59-E63 WeakPolarHBondContact O-CG 3.47Å; S59-E63 PolarHBondContact O-N 3.1Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-E63 PolarHBondContact O-N 3.24Å; E63-R66 PolarHBondContact O-N 3.22Å; E63-S67 WeakPolarHBondContact O-CB 3.5Å; E63-S67 PolarHBondContact O-N 3.42Å
64	K	91.1	Very high	85.5	Confident	135 Å²	135	69 Å²	69	59%	0.587	40%	0.401	S	S	*	.	H	α-helix	trans	-59.4	-50.2	176.2	-76.2	175.5	-178.7	-173.8	0	111.6	K60 K61 R66 S67 E68	K60-K64 VanDerWaalsContact O-CG 3.28Å; K60-K64 WeakPolarHBondContact O-CG 3.32Å; K60-K64 PolarHBondContact O-N 2.93Å; K60-K64 VanDerWaalsContact O-N 3.13Å; K61-K64 PolarHBondContact O-N 3.37Å; K64-R66 VanDerWaalsContact C-N 3.33Å; K64-R66 PolarHBondContact O-N 3.48Å; K64-S67 WeakPolarHBondContact O-CB 3.44Å; K64-S67 PolarHBondContact O-N 2.88Å; K64-S67 VanDerWaalsContact O-N 3.1Å; K64-S67 PolarHBondContact O-OG 3.41Å; K64-E68 WeakPolarHBondContact O-CG 3.32Å; K64-E68 PolarHBondContact O-N 3.33Å
65	I	87.9	Confident	84.6	Confident	9 Å²	9	69.3 Å²	69.3	5%	0.046	42%	0.415	C	S	.	.	H	α-helix	trans	-64.2	-39.8	-179.8	-66.8	165.5	0	0	0	111	K61 S67 E68 L69 L82 E85 L86 L89	K61-I65 WeakPolarHBondContact O-CG1 3.49Å; K61-I65 PolarHBondContact O-N 2.97Å; I65-S67 VanDerWaalsContact C-N 3.31Å; I65-S67 PolarHBondContact O-N 3.29Å; I65-E68 PolarHBondContact O-N 2.91Å; I65-L69 HydrophobicContact CG2-CD1 4Å; I65-L69 HydrophobicContact CG2-CG 4.41Å; I65-L69 WeakPolarHBondContact O-CB 3.3Å; I65-L69 WeakPolarHBondContact O-CG 3.38Å; I65-L69 PolarHBondContact O-N 3.01Å; I65-L82 HydrophobicContact CG1-CD2 4.36Å; I65-L82 HydrophobicContact CG2-CB 4.11Å; I65-L82 HydrophobicContact CG2-CD2 4.14Å; I65-E85 HydrophobicContact CD1-CB 4.34Å; I65-E85 HydrophobicContact CD1-CG 3.8Å; I65-L86 HydrophobicContact CG2-CB 4.06Å; I65-L86 HydrophobicContact CG2-CD1 4.13Å; I65-L86 HydrophobicContact CG2-CG 4.41Å; I65-L89 HydrophobicContact CD1-CD1 3.22Å
66	R	87.9	Confident	83.9	Confident	140 Å²	140	75.7 Å²	75.7	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-61	-40	173.6	-76.9	174.9	179.7	-174.3	2	111.9	T62 E63 K64 A70 L86	T62-R66 VanDerWaalsContact O-CB 3.31Å; T62-R66 WeakPolarHBondContact O-CB 3.49Å; T62-R66 WeakPolarHBondContact O-CG 3.48Å; T62-R66 PolarHBondContact O-N 3.43Å; E63-R66 PolarHBondContact O-N 3.22Å; K64-R66 VanDerWaalsContact C-N 3.33Å; K64-R66 PolarHBondContact O-N 3.48Å; R66-A70 WeakPolarHBondContact O-CB 3.33Å; R66-A70 PolarHBondContact O-N 2.85Å; R66-L86 HydrophobicContact CG-CD1 3.9Å
67	S	88.5	Confident	83.4	Confident	71 Å²	71	80.9 Å²	80.9	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-67.6	-38.8	176.4	76.7	0	0	0	0	112.5	E63 K64 I65 A70 S71	E63-S67 WeakPolarHBondContact O-CB 3.5Å; E63-S67 PolarHBondContact O-N 3.42Å; K64-S67 WeakPolarHBondContact O-CB 3.44Å; K64-S67 PolarHBondContact O-N 2.88Å; K64-S67 VanDerWaalsContact O-N 3.1Å; K64-S67 PolarHBondContact O-OG 3.41Å; I65-S67 VanDerWaalsContact C-N 3.31Å; I65-S67 PolarHBondContact O-N 3.29Å; S67-A70 PolarHBondContact O-N 2.84Å; S67-S71 PolarHBondContact O-N 3.04Å
68	E	86.2	Confident	82.9	Confident	91 Å²	91	84.3 Å²	84.3	43%	0.425	47%	0.473	S	S	.	.	H	α-helix	trans	-65.5	-45.1	175.7	-72.9	-179.7	-168	0	0	111.1	K64 I65 A70 S71 L74 L82	K64-E68 WeakPolarHBondContact O-CG 3.32Å; K64-E68 PolarHBondContact O-N 3.33Å; I65-E68 PolarHBondContact O-N 2.91Å; E68-A70 VanDerWaalsContact C-N 3.26Å; E68-A70 PolarHBondContact O-N 2.75Å; E68-S71 PolarHBondContact O-N 3.08Å; E68-S71 VanDerWaalsContact O-N 3.14Å; E68-S71 PolarHBondContact O-OG 3.44Å; E68-L74 WeakPolarHBondContact O-CD1 3.48Å; E68-L82 HydrophobicContact CB-CD1 4.23Å
69	L	83.5	Confident	82.6	Confident	39 Å²	39	90.1 Å²	90.1	20%	0.204	50%	0.495	C	S	.	.	H	α-helix	trans	-61.4	-33.7	174.8	-74	170.2	0	0	0	112.5	I65 R79 L82 E83 L86	I65-L69 HydrophobicContact CG2-CD1 4Å; I65-L69 HydrophobicContact CG2-CG 4.41Å; I65-L69 WeakPolarHBondContact O-CB 3.3Å; I65-L69 WeakPolarHBondContact O-CG 3.38Å; I65-L69 PolarHBondContact O-N 3.01Å; L69-R79 HydrophobicContact CD2-CG 3.76Å; L69-L82 HydrophobicContact CD2-CB 3.83Å; L69-L82 HydrophobicContact CD2-CD1 4.19Å; L69-L82 HydrophobicContact CG-CB 4.15Å; L69-L82 HydrophobicContact CG-CD1 4.42Å; L69-E83 HydrophobicContact CD1-CG 4.33Å; L69-E83 HydrophobicContact CD2-CG 4.17Å; L69-L86 HydrophobicContact CD1-CD1 3.78Å
70	A	84.9	Confident	82.4	Confident	84 Å²	84	96.6 Å²	96.6	69%	0.694	51%	0.512	S	S	*	.	H	α-helix	trans	-75.1	-26	176	0	0	0	0	0	113.8	R66 S67 E68 G72	R66-A70 WeakPolarHBondContact O-CB 3.33Å; R66-A70 PolarHBondContact O-N 2.85Å; S67-A70 PolarHBondContact O-N 2.84Å; E68-A70 VanDerWaalsContact C-N 3.26Å; E68-A70 PolarHBondContact O-N 2.75Å; A70-G72 PolarHBondContact O-N 3.39Å; A70-G72 VanDerWaalsContact O-N 3.09Å
71	S	78.2	Confident	82.3	Confident	89 Å²	89	96.9 Å²	96.9	62%	0.622	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-2.3	-173.6	72.9	0	0	0	0	115.7	S67 E68	S67-S71 PolarHBondContact O-N 3.04Å; E68-S71 PolarHBondContact O-N 3.08Å; E68-S71 VanDerWaalsContact O-N 3.14Å; E68-S71 PolarHBondContact O-OG 3.44Å
72	G	58.8	Low	82	Confident	72 Å²	72	92.8 Å²	92.8	74%	0.742	50%	0.498	S	S	*	.	S	Bend	trans	57.8	60	161	0	0	0	0	0	115.1	A70	A70-G72 PolarHBondContact O-N 3.39Å; A70-G72 VanDerWaalsContact O-N 3.09Å
73	G	68.1	Low	82.1	Confident	75 Å²	75	96.8 Å²	96.8	77%	0.773	52%	0.516	S	S	*	.			trans	-163	16.7	176	0	0	0	0	0	114.6
74	L	67	Low	82.1	Confident	57 Å²	57	93.4 Å²	93.4	30%	0.298	51%	0.509	S	S	.	.			trans	-99.1	128.5	-170.8	-70.4	150.5	0	0	0	110.2	E68 K78 L82	E68-L74 WeakPolarHBondContact O-CD1 3.48Å; L74-K78 HydrophobicContact CB-CB 4.42Å; L74-K78 HydrophobicContact CD2-CB 3.94Å; L74-K78 HydrophobicContact CD2-CD 4Å; L74-L82 HydrophobicContact CD1-CD1 3.8Å; L74-L82 HydrophobicContact CD2-CD1 4.16Å
75	G	73.6	Confident	82	Confident	48 Å²	48	91.2 Å²	91.2	50%	0.495	50%	0.501	S	S	.	.			trans	-58.9	152.8	170.2	0	0	0	0	0	111.5	E77 K78 R79	G75-E77 PolarHBondContact O-N 3Å; G75-E77 VanDerWaalsContact O-N 3.11Å; G75-K78 PolarHBondContact O-N 3.44Å; G75-R79 PolarHBondContact O-N 3.4Å
76	E	78.3	Confident	82.1	Confident	159 Å²	159	91.9 Å²	91.9	74%	0.743	50%	0.504	S	S	*	.	H	α-helix	trans	-52.6	-37.9	-173.8	-66.4	-175.8	168.3	0	0	113.3	R79 R80	E76-R79 PolarHBondContact O-N 2.9Å; E76-R80 PolarHBondContact O-N 3.49Å
77	E	81.6	Confident	82.3	Confident	156 Å²	156	87.9 Å²	87.9	73%	0.729	50%	0.498	S	S	*	.	H	α-helix	trans	-64.2	-46.5	176.9	-68.1	-178.5	167.8	0	0	112.7	G75 R79 R80 Q81	G75-E77 PolarHBondContact O-N 3Å; G75-E77 VanDerWaalsContact O-N 3.11Å; E77-R79 VanDerWaalsContact C-N 3.31Å; E77-R79 PolarHBondContact O-N 3.45Å; E77-R80 PolarHBondContact O-N 3.39Å; E77-Q81 WeakPolarHBondContact O-CG 3.48Å; E77-Q81 PolarHBondContact O-N 3.25Å
78	K	82.4	Confident	82.4	Confident	129 Å²	129	90.2 Å²	90.2	56%	0.561	50%	0.501	S	S	*	.	H	α-helix	trans	-65	-38.3	178.3	-72	-173	178.1	-178.9	0	111.4	L74 G75 Q81 L82	L74-K78 HydrophobicContact CB-CB 4.42Å; L74-K78 HydrophobicContact CD2-CB 3.94Å; L74-K78 HydrophobicContact CD2-CD 4Å; G75-K78 PolarHBondContact O-N 3.44Å; K78-Q81 PolarHBondContact O-N 3.48Å; K78-L82 WeakPolarHBondContact O-CG 3.49Å; K78-L82 PolarHBondContact O-N 3.32Å
79	R	83.6	Confident	82.6	Confident	135 Å²	135	86.3 Å²	86.3	51%	0.509	48%	0.483	S	S	.	.	H	α-helix	trans	-62.9	-45.8	176.6	-165.8	-175.4	178.1	154.7	8.2	111.4	L69 G75 E76 E77 Q81 L82 E83	L69-R79 HydrophobicContact CD2-CG 3.76Å; G75-R79 PolarHBondContact O-N 3.4Å; E76-R79 PolarHBondContact O-N 2.9Å; E77-R79 VanDerWaalsContact C-N 3.31Å; E77-R79 PolarHBondContact O-N 3.45Å; R79-Q81 VanDerWaalsContact C-N 3.33Å; R79-Q81 PolarHBondContact O-N 2.93Å; R79-L82 PolarHBondContact O-N 2.8Å; R79-E83 WeakPolarHBondContact CG-OE1 3.46Å; R79-E83 IonicContact NE-OE1 3.98Å; R79-E83 PolarHBondContact NE-OE1 3.26Å; R79-E83 VanDerWaalsContact NE-OE1 3.09Å; R79-E83 WeakPolarHBondContact O-CB 3.21Å; R79-E83 WeakPolarHBondContact O-CG 3.46Å; R79-E83 PolarHBondContact O-N 2.89Å
80	R	86.6	Confident	83	Confident	183 Å²	183	88 Å²	88	69%	0.691	49%	0.49	S	S	*	.	H	α-helix	trans	-61.6	-38.7	174.7	-77.5	-176.3	-179.4	169.1	4	112.8	E76 E77 A84	E76-R80 PolarHBondContact O-N 3.49Å; E77-R80 PolarHBondContact O-N 3.39Å; R80-A84 WeakPolarHBondContact O-CB 3.49Å; R80-A84 PolarHBondContact O-N 3.07Å
81	Q	88.6	Confident	83.3	Confident	132 Å²	132	89 Å²	89	62%	0.617	48%	0.48	S	S	*	.	H	α-helix	trans	-63.9	-46.9	175.8	-73.1	172.9	-0.8	0	0	111.6	E77 K78 R79 A84 E85	E77-Q81 WeakPolarHBondContact O-CG 3.48Å; E77-Q81 PolarHBondContact O-N 3.25Å; K78-Q81 PolarHBondContact O-N 3.48Å; R79-Q81 VanDerWaalsContact C-N 3.33Å; R79-Q81 PolarHBondContact O-N 2.93Å; Q81-A84 PolarHBondContact O-N 3.47Å; Q81-E85 WeakPolarHBondContact O-CB 3.47Å; Q81-E85 PolarHBondContact O-N 3.46Å
82	L	86.9	Confident	83.9	Confident	17 Å²	17	88.8 Å²	88.8	9%	0.089	47%	0.469	C	S	.	.	H	α-helix	trans	-65.7	-38.3	177.5	-72.6	173.4	0	0	0	112.5	I65 E68 L69 L74 K78 R79 E85 L86	I65-L82 HydrophobicContact CG1-CD2 4.36Å; I65-L82 HydrophobicContact CG2-CB 4.11Å; I65-L82 HydrophobicContact CG2-CD2 4.14Å; E68-L82 HydrophobicContact CB-CD1 4.23Å; L69-L82 HydrophobicContact CD2-CB 3.83Å; L69-L82 HydrophobicContact CD2-CD1 4.19Å; L69-L82 HydrophobicContact CG-CB 4.15Å; L69-L82 HydrophobicContact CG-CD1 4.42Å; L74-L82 HydrophobicContact CD1-CD1 3.8Å; L74-L82 HydrophobicContact CD2-CD1 4.16Å; K78-L82 WeakPolarHBondContact O-CG 3.49Å; K78-L82 PolarHBondContact O-N 3.32Å; R79-L82 PolarHBondContact O-N 2.8Å; L82-E85 PolarHBondContact O-N 2.86Å; L82-L86 VanDerWaalsContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CB 3.41Å; L82-L86 PolarHBondContact O-N 2.95Å
83	E	89.2	Confident	85.4	Confident	90 Å²	90	86.8 Å²	86.8	42%	0.421	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-40.1	174.4	-74.9	169.8	-174.8	0	0	111.5	L69 R79 L86 S87	L69-E83 HydrophobicContact CD1-CG 4.33Å; L69-E83 HydrophobicContact CD2-CG 4.17Å; R79-E83 WeakPolarHBondContact CG-OE1 3.46Å; R79-E83 IonicContact NE-OE1 3.98Å; R79-E83 PolarHBondContact NE-OE1 3.26Å; R79-E83 VanDerWaalsContact NE-OE1 3.09Å; R79-E83 WeakPolarHBondContact O-CB 3.21Å; R79-E83 WeakPolarHBondContact O-CG 3.46Å; R79-E83 PolarHBondContact O-N 2.89Å; E83-L86 PolarHBondContact O-N 2.87Å; E83-S87 PolarHBondContact O-N 3.38Å
84	A	90.5	Very high	86.6	Confident	50 Å²	50	89.1 Å²	89.1	41%	0.413	43%	0.431	S	S	.	.	H	α-helix	trans	-66.3	-41.4	173.7	0	0	0	0	0	112.2	R80 Q81 S87 Q88	R80-A84 WeakPolarHBondContact O-CB 3.49Å; R80-A84 PolarHBondContact O-N 3.07Å; Q81-A84 PolarHBondContact O-N 3.47Å; A84-S87 PolarHBondContact O-N 3.37Å; A84-Q88 WeakPolarHBondContact O-CG 3.33Å; A84-Q88 PolarHBondContact O-N 2.88Å
85	E	90.2	Very high	87.8	Confident	90 Å²	90	92.6 Å²	92.6	42%	0.421	44%	0.444	S	S	.	.	H	α-helix	trans	-64.4	-41.1	175.2	-170.4	177.7	177.9	0	0	111.4	I65 Q81 L82 Q88 L89	I65-E85 HydrophobicContact CD1-CB 4.34Å; I65-E85 HydrophobicContact CD1-CG 3.8Å; Q81-E85 WeakPolarHBondContact O-CB 3.47Å; Q81-E85 PolarHBondContact O-N 3.46Å; L82-E85 PolarHBondContact O-N 2.86Å; E85-Q88 PolarHBondContact O-N 3.14Å; E85-L89 HydrophobicContact CG-CD1 4.08Å; E85-L89 HydrophobicContact CG-CG 4.48Å; E85-L89 WeakPolarHBondContact O-CB 3.36Å; E85-L89 VanDerWaalsContact O-CG 3.25Å; E85-L89 WeakPolarHBondContact O-CG 3.42Å; E85-L89 PolarHBondContact O-N 3.39Å
86	L	90.2	Very high	88.8	Confident	23 Å²	23	92.5 Å²	92.5	12%	0.12	43%	0.429	C	S	.	.	H	α-helix	trans	-60.9	-46	174.7	-163.3	163.7	0	0	0	110.7	I65 R66 L69 L82 E83 Q88 L89 Q90	I65-L86 HydrophobicContact CG2-CB 4.06Å; I65-L86 HydrophobicContact CG2-CD1 4.13Å; I65-L86 HydrophobicContact CG2-CG 4.41Å; R66-L86 HydrophobicContact CG-CD1 3.9Å; L69-L86 HydrophobicContact CD1-CD1 3.78Å; L82-L86 VanDerWaalsContact O-CB 3.27Å; L82-L86 WeakPolarHBondContact O-CB 3.41Å; L82-L86 PolarHBondContact O-N 2.95Å; E83-L86 PolarHBondContact O-N 2.87Å; L86-Q88 PolarHBondContact O-N 3.44Å; L86-L89 PolarHBondContact O-N 2.89Å; L86-Q90 HydrophobicContact CD2-CG 3.8Å; L86-Q90 VanDerWaalsContact CD2-OE1 3.27Å; L86-Q90 WeakPolarHBondContact O-CB 3.45Å; L86-Q90 WeakPolarHBondContact O-CG 3.46Å; L86-Q90 PolarHBondContact O-N 3.38Å
87	S	90.8	Very high	89.4	Confident	56 Å²	56	90.9 Å²	90.9	39%	0.392	42%	0.416	S	S	.	.	H	α-helix	trans	-59.5	-44.8	176.1	-169	0	0	0	0	111.7	E83 A84 Q90 E91	E83-S87 PolarHBondContact O-N 3.38Å; A84-S87 PolarHBondContact O-N 3.37Å; S87-Q90 PolarHBondContact O-N 2.93Å; S87-E91 PolarHBondContact O-N 2.97Å
88	Q	91.5	Very high	90.1	Very high	119 Å²	119	89.7 Å²	89.7	56%	0.556	41%	0.41	S	S	*	.	H	α-helix	trans	-64.8	-40.2	177.3	-73.2	179.9	0.8	0	0	112.3	A84 E85 L86 Q90 E91 Q92	A84-Q88 WeakPolarHBondContact O-CG 3.33Å; A84-Q88 PolarHBondContact O-N 2.88Å; E85-Q88 PolarHBondContact O-N 3.14Å; L86-Q88 PolarHBondContact O-N 3.44Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q88-E91 PolarHBondContact O-N 3.41Å; Q88-Q92 WeakPolarHBondContact O-CG 3.43Å; Q88-Q92 PolarHBondContact O-N 2.9Å
89	L	90.8	Very high	90.6	Very high	10 Å²	10	87 Å²	87	5%	0.052	40%	0.399	C	S	.	.	H	α-helix	trans	-66.8	-36.4	176.2	-72.6	167.4	0	0	0	111.9	F58 K61 T62 I65 E85 L86 Q92 E93	F58-L89 HydrophobicContact CD1-CD2 3.61Å; F58-L89 HydrophobicContact CE1-CD2 3.84Å; K61-L89 HydrophobicContact CB-CD1 4.05Å; K61-L89 HydrophobicContact CB-CD2 4.39Å; K61-L89 HydrophobicContact CD-CD2 4.06Å; T62-L89 HydrophobicContact CG2-CB 3.88Å; T62-L89 HydrophobicContact CG2-CD1 4.39Å; I65-L89 HydrophobicContact CD1-CD1 3.22Å; E85-L89 HydrophobicContact CG-CD1 4.08Å; E85-L89 HydrophobicContact CG-CG 4.48Å; E85-L89 WeakPolarHBondContact O-CB 3.36Å; E85-L89 VanDerWaalsContact O-CG 3.25Å; E85-L89 WeakPolarHBondContact O-CG 3.42Å; E85-L89 PolarHBondContact O-N 3.39Å; L86-L89 PolarHBondContact O-N 2.89Å; L89-Q92 PolarHBondContact O-N 2.96Å; L89-E93 WeakPolarHBondContact O-CB 3.36Å; L89-E93 PolarHBondContact O-N 3.01Å
90	Q	90.6	Very high	91.1	Very high	75 Å²	75	83 Å²	83	35%	0.35	39%	0.385	S	S	.	.	H	α-helix	trans	-64.3	-46	174.3	-77.8	179.1	-42.9	0	0	111.6	L86 S87 Q88 Q92 E93 E94	L86-Q90 HydrophobicContact CD2-CG 3.8Å; L86-Q90 VanDerWaalsContact CD2-OE1 3.27Å; L86-Q90 WeakPolarHBondContact O-CB 3.45Å; L86-Q90 WeakPolarHBondContact O-CG 3.46Å; L86-Q90 PolarHBondContact O-N 3.38Å; S87-Q90 PolarHBondContact O-N 2.93Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q90-Q92 VanDerWaalsContact C-N 3.27Å; Q90-Q92 PolarHBondContact O-N 3.32Å; Q90-E93 PolarHBondContact O-N 3.36Å; Q90-E94 WeakPolarHBondContact O-CG 3.4Å; Q90-E94 PolarHBondContact O-N 3.44Å
91	E	91.6	Very high	91.5	Very high	105 Å²	105	78.4 Å²	78.4	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-38.6	174.8	-72.7	179.1	-166.6	0	0	112.1	S87 Q88 K95	S87-E91 PolarHBondContact O-N 2.97Å; Q88-E91 PolarHBondContact O-N 3.41Å; E91-K95 WeakPolarHBondContact O-CG 3.32Å; E91-K95 PolarHBondContact O-N 3.32Å
92	Q	90.7	Very high	91.7	Very high	84 Å²	84	76.7 Å²	76.7	39%	0.393	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-45.8	175.1	-72.3	177.5	5.9	0	0	111.4	F58 Q88 L89 Q90 E94 K95 W96	F58-Q92 HydrophobicContact CD1-CB 4.49Å; F58-Q92 HydrophobicContact CE1-CB 3.98Å; F58-Q92 HydrophobicContact CZ-CB 4.05Å; Q88-Q92 WeakPolarHBondContact O-CG 3.43Å; Q88-Q92 PolarHBondContact O-N 2.9Å; L89-Q92 PolarHBondContact O-N 2.96Å; Q90-Q92 VanDerWaalsContact C-N 3.27Å; Q90-Q92 PolarHBondContact O-N 3.32Å; Q92-E94 VanDerWaalsContact C-N 3.32Å; Q92-E94 PolarHBondContact O-N 2.78Å; Q92-K95 WeakPolarHBondContact O-CB 3.45Å; Q92-K95 PolarHBondContact O-N 3.39Å; Q92-W96 PolarHBondContact O-N 3.07Å
93	E	91.2	Very high	92	Very high	30 Å²	30	76.5 Å²	76.5	14%	0.14	37%	0.366	C	S	.	.	H	α-helix	trans	-58.5	-43.5	176.8	-169.7	-174	159.1	0	0	111.4	L55 F58 L89 Q90 K95 W96 R97	L55-E93 HydrophobicContact CD2-CG 4.06Å; F58-E93 HydrophobicContact CB-CB 4.45Å; L89-E93 WeakPolarHBondContact O-CB 3.36Å; L89-E93 PolarHBondContact O-N 3.01Å; Q90-E93 PolarHBondContact O-N 3.36Å; E93-K95 PolarHBondContact O-N 3.17Å; E93-W96 PolarHBondContact O-N 3.45Å; E93-R97 WeakPolarHBondContact O-CG 3.32Å; E93-R97 PolarHBondContact O-N 3.29Å; E93-R97 IonicContact OE1-CZ 2.82Å; E93-R97 IonicContact OE1-NE 3.09Å; E93-R97 PolarHBondContact OE1-NE 2.95Å; E93-R97 IonicContact OE1-NH2 3.07Å; E93-R97 PolarHBondContact OE1-NH2 3.44Å
94	E	92.3	Very high	92.2	Very high	123 Å²	123	76.6 Å²	76.6	58%	0.575	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-42.7	176.2	-76.3	-177.7	-179.7	0	0	112.2	Q90 Q92 W96 R97 Q98	Q90-E94 WeakPolarHBondContact O-CG 3.4Å; Q90-E94 PolarHBondContact O-N 3.44Å; Q92-E94 VanDerWaalsContact C-N 3.32Å; Q92-E94 PolarHBondContact O-N 2.78Å; E94-W96 VanDerWaalsContact C-N 3.33Å; E94-W96 PolarHBondContact O-N 2.85Å; E94-R97 PolarHBondContact O-N 2.97Å; E94-Q98 WeakPolarHBondContact O-CG 3.44Å; E94-Q98 PolarHBondContact O-N 3.46Å
95	K	93.8	Very high	92.3	Very high	130 Å²	130	79.7 Å²	79.7	57%	0.565	37%	0.369	S	S	*	.	H	α-helix	trans	-61.1	-41.5	174.5	-71.8	170	-175.5	171.5	0	111.9	E91 Q92 E93 Q98 K99	E91-K95 WeakPolarHBondContact O-CG 3.32Å; E91-K95 PolarHBondContact O-N 3.32Å; Q92-K95 WeakPolarHBondContact O-CB 3.45Å; Q92-K95 PolarHBondContact O-N 3.39Å; E93-K95 PolarHBondContact O-N 3.17Å; K95-Q98 WeakPolarHBondContact O-CB 3.36Å; K95-Q98 PolarHBondContact O-N 3.19Å; K95-K99 PolarHBondContact O-N 3.24Å
96	W	92.8	Very high	92.4	Very high	47 Å²	47	80.1 Å²	80.1	18%	0.178	37%	0.371	C	S	.	.	H	α-helix	trans	-70.1	-35.5	177.3	-75.8	105.5	0	0	0	112.7	E50 V51 N54 L55 F58 Q92 E93 E94 Q98 K99 E100	E50-W96 HydrophobicContact CG-CH2 3.92Å; E50-W96 HydrophobicContact CG-CZ3 4.08Å; V51-W96 HydrophobicContact CB-CE3 4.39Å; V51-W96 HydrophobicContact CG2-CE3 3.89Å; V51-W96 HydrophobicContact CG2-CZ3 3.91Å; N54-W96 HydrophobicContact CB-CD2 3.79Å; N54-W96 HydrophobicContact CB-CE3 3.99Å; N54-W96 HydrophobicContact CB-CG 4.27Å; N54-W96 HydrophobicContact CB-CH2 4.25Å; N54-W96 HydrophobicContact CB-CZ2 4.04Å; N54-W96 HydrophobicContact CB-CZ3 4.2Å; N54-W96 WeakPolarHBondContact ND2-CH2 3.42Å; N54-W96 WeakPolarHBondContact ND2-CZ2 3.2Å; L55-W96 HydrophobicContact CD2-CB 3.61Å; L55-W96 HydrophobicContact CG-CB 4.04Å; F58-W96 AromaticContact CD2-CD1 3.78Å; F58-W96 HydrophobicContact CD2-CG 4.45Å; F58-W96 AromaticContact CE2-CD1 3.21Å; F58-W96 HydrophobicContact CE2-CG 4.14Å; F58-W96 AromaticContact CE2-NE1 3.32Å; F58-W96 VanDerWaalsContact CE2-NE1 3.32Å; F58-W96 AromaticContact CZ-NE1 3.9Å; Q92-W96 PolarHBondContact O-N 3.07Å; E93-W96 PolarHBondContact O-N 3.45Å; E94-W96 VanDerWaalsContact C-N 3.33Å; E94-W96 PolarHBondContact O-N 2.85Å; W96-Q98 VanDerWaalsContact C-N 3.34Å; W96-K99 HydrophobicContact CE3-CD 3.88Å; W96-K99 HydrophobicContact CH2-CD 4.49Å; W96-K99 HydrophobicContact CZ3-CD 3.66Å; W96-K99 WeakPolarHBondContact O-CB 3.43Å; W96-K99 PolarHBondContact O-N 3.29Å; W96-E100 PolarHBondContact O-N 3.31Å
97	R	92.6	Very high	92.4	Very high	125 Å²	125	83.1 Å²	83.1	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-66.7	-34.8	171.9	-73.1	-170.6	-175.9	-88.1	1.8	112.6	L55 E93 E94 E100 N101	L55-R97 HydrophobicContact CD2-CG 3.85Å; E93-R97 WeakPolarHBondContact O-CG 3.32Å; E93-R97 PolarHBondContact O-N 3.29Å; E93-R97 IonicContact OE1-CZ 2.82Å; E93-R97 IonicContact OE1-NE 3.09Å; E93-R97 PolarHBondContact OE1-NE 2.95Å; E93-R97 IonicContact OE1-NH2 3.07Å; E93-R97 PolarHBondContact OE1-NH2 3.44Å; E94-R97 PolarHBondContact O-N 2.97Å; R97-E100 WeakPolarHBondContact O-CB 3.46Å; R97-E100 PolarHBondContact O-N 3.23Å; R97-N101 VanDerWaalsContact O-CG 3.32Å; R97-N101 PolarHBondContact O-N 3.43Å; R97-N101 PolarHBondContact O-ND2 2.88Å
98	Q	94.4	Very high	92.4	Very high	131 Å²	131	88.4 Å²	88.4	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-62.9	-43.6	170.4	-71.9	173.6	9.7	0	0	111	E94 K95 W96 E100 N101 E102	E94-Q98 WeakPolarHBondContact O-CG 3.44Å; E94-Q98 PolarHBondContact O-N 3.46Å; K95-Q98 WeakPolarHBondContact O-CB 3.36Å; K95-Q98 PolarHBondContact O-N 3.19Å; W96-Q98 VanDerWaalsContact C-N 3.34Å; Q98-E100 PolarHBondContact O-N 2.99Å; Q98-N101 PolarHBondContact O-N 3.33Å; Q98-E102 PolarHBondContact O-N 3.15Å
99	K	93.4	Very high	92.3	Very high	72 Å²	72	89 Å²	89	31%	0.313	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-40.2	174.5	-165.9	177.2	176.7	-172.7	0	112	E50 V51 K95 W96 E102 L103	E50-K99 IonicContact OE2-NZ 3.28Å; E50-K99 PolarHBondContact OE2-NZ 2.79Å; V51-K99 HydrophobicContact CG2-CB 4.31Å; V51-K99 HydrophobicContact CG2-CD 3.76Å; V51-K99 HydrophobicContact CG2-CG 3.85Å; K95-K99 PolarHBondContact O-N 3.24Å; W96-K99 HydrophobicContact CE3-CD 3.88Å; W96-K99 HydrophobicContact CH2-CD 4.49Å; W96-K99 HydrophobicContact CZ3-CD 3.66Å; W96-K99 WeakPolarHBondContact O-CB 3.43Å; W96-K99 PolarHBondContact O-N 3.29Å; K99-E102 PolarHBondContact O-N 3.28Å; K99-L103 WeakPolarHBondContact O-CG 3.45Å; K99-L103 PolarHBondContact O-N 3.22Å
100	E	93.9	Very high	92.3	Very high	50 Å²	50	91 Å²	91	23%	0.234	42%	0.418	C	S	.	.	H	α-helix	trans	-60.2	-45.7	173.9	-167.3	-164.3	164	0	0	111.9	V51 L55 W96 R97 Q98 E102 L103 K104	V51-E100 HydrophobicContact CG1-CB 3.77Å; V51-E100 HydrophobicContact CG1-CG 4.11Å; L55-E100 HydrophobicContact CD1-CB 4.34Å; L55-E100 HydrophobicContact CD1-CG 4.44Å; L55-E100 WeakPolarHBondContact CD1-OE2 3.32Å; W96-E100 PolarHBondContact O-N 3.31Å; R97-E100 WeakPolarHBondContact O-CB 3.46Å; R97-E100 PolarHBondContact O-N 3.23Å; Q98-E100 PolarHBondContact O-N 2.99Å; E100-E102 VanDerWaalsContact C-N 3.3Å; E100-E102 PolarHBondContact O-N 3.21Å; E100-L103 PolarHBondContact O-N 3.4Å; E100-K104 WeakPolarHBondContact O-CG 3.36Å; E100-K104 PolarHBondContact O-N 2.93Å; E100-K104 WeakPolarHBondContact OE1-CE 3.39Å; E100-K104 IonicContact OE1-NZ 3.39Å; E100-K104 PolarHBondContact OE1-NZ 3.08Å
101	N	94.7	Very high	92.5	Very high	87 Å²	87	89.4 Å²	89.4	47%	0.465	41%	0.414	S	S	.	.	H	α-helix	trans	-66.5	-33.3	177.8	-71.1	-25.5	0	0	0	112.3	R97 Q98 K105	R97-N101 VanDerWaalsContact O-CG 3.32Å; R97-N101 PolarHBondContact O-N 3.43Å; R97-N101 PolarHBondContact O-ND2 2.88Å; Q98-N101 PolarHBondContact O-N 3.33Å; N101-K105 WeakPolarHBondContact O-CG 3.42Å; N101-K105 PolarHBondContact O-N 2.95Å
102	E	94.3	Very high	92.6	Very high	96 Å²	96	87.8 Å²	87.8	45%	0.449	40%	0.404	S	S	.	.	H	α-helix	trans	-68.5	-41.5	174.7	-167.6	60.8	-158.2	0	0	111.5	Q98 K99 E100 K104 K105 Q106	Q98-E102 PolarHBondContact O-N 3.15Å; K99-E102 PolarHBondContact O-N 3.28Å; E100-E102 VanDerWaalsContact C-N 3.3Å; E100-E102 PolarHBondContact O-N 3.21Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 3.38Å; E102-K105 PolarHBondContact O-N 2.81Å; E102-Q106 WeakPolarHBondContact O-CG 3.5Å; E102-Q106 PolarHBondContact O-N 3.3Å
103	L	92.6	Very high	92.8	Very high	14 Å²	14	84 Å²	84	7%	0.073	39%	0.387	C	S	.	.	H	α-helix	trans	-60.7	-42	173.6	-74.6	175.8	0	0	0	112.1	C47 E48 V51 K99 E100 K105 Q106 E107	C47-L103 HydrophobicContact CB-CD1 4.45Å; C47-L103 HydrophobicContact CB-CD2 4.11Å; E48-L103 HydrophobicContact CG-CD1 4.09Å; V51-L103 HydrophobicContact CB-CD1 4.23Å; V51-L103 HydrophobicContact CG2-CD1 3.67Å; K99-L103 WeakPolarHBondContact O-CG 3.45Å; K99-L103 PolarHBondContact O-N 3.22Å; E100-L103 PolarHBondContact O-N 3.4Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.44Å; L103-Q106 CarbonylContact O-C 3.51Å; L103-Q106 WeakPolarHBondContact O-CA 3.27Å; L103-Q106 WeakPolarHBondContact O-CB 3.35Å; L103-Q106 PolarHBondContact O-N 3.48Å; L103-Q106 VanDerWaalsContact O-N 3.08Å; L103-E107 PolarHBondContact O-N 3.41Å
104	K	93.1	Very high	92.9	Very high	91 Å²	91	87.7 Å²	87.7	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-60.4	-40.4	175.8	-73.2	174.4	-174.5	163.9	0	112.6	E100 E102 Q106 E107 E108	E100-K104 WeakPolarHBondContact O-CG 3.36Å; E100-K104 PolarHBondContact O-N 2.93Å; E100-K104 WeakPolarHBondContact OE1-CE 3.39Å; E100-K104 IonicContact OE1-NZ 3.39Å; E100-K104 PolarHBondContact OE1-NZ 3.08Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 3.38Å; K104-Q106 VanDerWaalsContact C-N 3.33Å; K104-Q106 PolarHBondContact O-N 3.06Å; K104-E107 WeakPolarHBondContact O-CB 3.18Å; K104-E107 PolarHBondContact O-N 3.43Å; K104-E108 WeakPolarHBondContact O-CG 3.26Å; K104-E108 PolarHBondContact O-N 3.32Å
105	K	93.3	Very high	92.9	Very high	115 Å²	115	86.2 Å²	86.2	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-65.3	-38	173.7	-68.9	174	-174.2	172.1	0	112	N101 E102 L103 E107 E108 L109	N101-K105 WeakPolarHBondContact O-CG 3.42Å; N101-K105 PolarHBondContact O-N 2.95Å; E102-K105 PolarHBondContact O-N 2.81Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.44Å; K105-E107 VanDerWaalsContact C-N 3.3Å; K105-E108 PolarHBondContact O-N 3.2Å; K105-L109 WeakPolarHBondContact O-CG 3.46Å; K105-L109 PolarHBondContact O-N 3.22Å; K105-L109 VanDerWaalsContact O-N 3.07Å
106	Q	91.2	Very high	92.8	Very high	99 Å²	99	82.5 Å²	82.5	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-68.7	-28.2	174.6	-68.3	177.5	7	0	0	112.6	E102 L103 K104 Q110	E102-Q106 WeakPolarHBondContact O-CG 3.5Å; E102-Q106 PolarHBondContact O-N 3.3Å; L103-Q106 CarbonylContact O-C 3.51Å; L103-Q106 WeakPolarHBondContact O-CA 3.27Å; L103-Q106 WeakPolarHBondContact O-CB 3.35Å; L103-Q106 PolarHBondContact O-N 3.48Å; L103-Q106 VanDerWaalsContact O-N 3.08Å; K104-Q106 VanDerWaalsContact C-N 3.33Å; K104-Q106 PolarHBondContact O-N 3.06Å; Q106-Q110 PolarHBondContact O-N 2.93Å
107	E	90.7	Very high	92.8	Very high	87 Å²	87	84.3 Å²	84.3	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-66.5	-45.3	167.8	-72.7	167.9	-160.3	0	0	112.4	L103 K104 K105 L109 Q110	L103-E107 PolarHBondContact O-N 3.41Å; K104-E107 WeakPolarHBondContact O-CB 3.18Å; K104-E107 PolarHBondContact O-N 3.43Å; K105-E107 VanDerWaalsContact C-N 3.3Å; E107-L109 VanDerWaalsContact C-N 3.28Å; E107-L109 PolarHBondContact O-N 3.32Å; E107-Q110 VanDerWaalsContact O-CB 3.3Å; E107-Q110 WeakPolarHBondContact O-CB 3.37Å; E107-Q110 PolarHBondContact O-N 2.93Å; E107-Q110 VanDerWaalsContact O-N 3.16Å
108	E	90.2	Very high	92.8	Very high	166 Å²	166	82.1 Å²	82.1	78%	0.776	41%	0.411	S	S	*	.	H	α-helix	trans	-64.1	-32.9	177.7	-70.5	177.6	172.2	0	0	113	K104 K105	K104-E108 WeakPolarHBondContact O-CG 3.26Å; K104-E108 PolarHBondContact O-N 3.32Å; K105-E108 PolarHBondContact O-N 3.2Å
109	L	90.6	Very high	92.7	Very high	133 Å²	133	84.5 Å²	84.5	70%	0.696	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	1.7	177.4	-64.1	172.6	0	0	0	113.5	K105 E107	K105-L109 WeakPolarHBondContact O-CG 3.46Å; K105-L109 PolarHBondContact O-N 3.22Å; K105-L109 VanDerWaalsContact O-N 3.07Å; E107-L109 VanDerWaalsContact C-N 3.28Å; E107-L109 PolarHBondContact O-N 3.32Å
110	Q	91.1	Very high	92.6	Very high	51 Å²	51	88.6 Å²	88.6	24%	0.238	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-69	132.2	-177.2	-175.9	176.9	-12.7	0	0	110.3	Q106 E107 W112	Q106-Q110 PolarHBondContact O-N 2.93Å; E107-Q110 VanDerWaalsContact O-CB 3.3Å; E107-Q110 WeakPolarHBondContact O-CB 3.37Å; E107-Q110 PolarHBondContact O-N 2.93Å; E107-Q110 VanDerWaalsContact O-N 3.16Å; Q110-W112 PolarHBondContact O-N 2.94Å
111	P	93.6	Very high	92.6	Very high	41 Å²	41	90.1 Å²	90.1	27%	0.266	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-59.1	136.7	173.4	-23.7	33.3	0	0	0	112.2	D10 E12	D10-P111 CarbonylContact O-C 3.59Å; D10-P111 WeakPolarHBondContact O-CA 3.49Å; E12-P111 HydrophobicContact CB-CB 3.69Å
112	W	94.7	Very high	92.6	Very high	72 Å²	72	94.3 Å²	94.3	27%	0.273	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-67.5	130.8	172.4	-71.4	106.1	0	0	0	110.3	R7 D10 I11 E12 Q110 T116 I117	R7-W112 HydrophobicContact CG-CZ2 4.34Å; R7-W112 VanDerWaalsContact O-CD1 3.27Å; R7-W112 PolarHBondContact O-NE1 3.04Å; D10-W112 WeakPolarHBondContact O-CB 3.29Å; D10-W112 PolarHBondContact O-N 2.88Å; I11-W112 CarbonylContact C-O 3.26Å; I11-W112 WeakPolarHBondContact CA-O 3.34Å; I11-W112 HydrophobicContact CG1-CB 4.05Å; E12-W112 PolarHBondContact N-O 3.27Å; Q110-W112 PolarHBondContact O-N 2.94Å; W112-T116 WeakPolarHBondContact CA-OG1 3.49Å; W112-T116 VanDerWaalsContact CZ3-O 3.27Å; W112-T116 WeakPolarHBondContact CZ3-O 3.5Å; W112-I117 HydrophobicContact CB-CD1 3.94Å; W112-I117 HydrophobicContact CB-CG1 3.63Å; W112-I117 HydrophobicContact CD2-CG1 4.34Å; W112-I117 HydrophobicContact CE3-CG1 3.94Å; W112-I117 HydrophobicContact CG-CG1 4.27Å
113	N	94.2	Very high	92.6	Very high	5 Å²	5	93.4 Å²	93.4	3%	0.027	49%	0.49	C	S	.	.			trans	-141.9	179.3	175.8	62.8	52	0	0	0	109.7	R37 D115 T116 I117	R37-N113 PolarHBondContact NH1-ND2 3.4Å; R37-N113 PolarHBondContact NH1-OD1 3.19Å; N113-D115 PolarHBondContact O-N 2.97Å; N113-D115 WeakPolarHBondContact OD1-CA 3.37Å; N113-D115 WeakPolarHBondContact OD1-CB 3.31Å; N113-D115 PolarHBondContact OD1-N 3.19Å; N113-T116 PolarHBondContact N-OG1 3Å; N113-T116 PolarHBondContact O-N 3.28Å; N113-T116 PolarHBondContact O-OG1 3.47Å; N113-T116 PolarHBondContact OD1-N 3.31Å; N113-I117 WeakPolarHBondContact O-CB 3.45Å; N113-I117 WeakPolarHBondContact O-CD1 3.43Å; N113-I117 WeakPolarHBondContact O-CG1 3.43Å; N113-I117 PolarHBondContact O-N 3.16Å
114	V	93.2	Very high	92.6	Very high	107 Å²	107	96.6 Å²	96.6	65%	0.648	51%	0.51	S	S	*	.	H	α-helix	trans	-56.4	-24.1	-177.4	-62.1	0	0	0	0	114.3
115	D	92.9	Very high	92.6	Very high	92 Å²	92	98.3 Å²	98.3	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-91.8	-16.2	-179.5	-57.1	-51.7	0	0	0	112.9	R37 N113	R37-D115 IonicContact CZ-OD2 3.72Å; R37-D115 VanDerWaalsContact CZ-OD2 3.24Å; R37-D115 IonicContact NH1-OD2 2.75Å; R37-D115 PolarHBondContact NH1-OD2 3.31Å; R37-D115 IonicContact NH2-OD2 3.95Å; R37-D115 PolarHBondContact NH2-OD2 3Å; N113-D115 PolarHBondContact O-N 2.97Å; N113-D115 WeakPolarHBondContact OD1-CA 3.37Å; N113-D115 WeakPolarHBondContact OD1-CB 3.31Å; N113-D115 PolarHBondContact OD1-N 3.19Å
116	T	91.8	Very high	92.5	Very high	51 Å²	51	104 Å²	104	31%	0.313	55%	0.547	S	S	.	.	H	α-helix	trans	-108.7	-29.7	179.9	59.4	0	0	0	0	113.4	W112 N113	W112-T116 WeakPolarHBondContact CA-OG1 3.49Å; W112-T116 VanDerWaalsContact CZ3-O 3.27Å; W112-T116 WeakPolarHBondContact CZ3-O 3.5Å; N113-T116 PolarHBondContact N-OG1 3Å; N113-T116 PolarHBondContact O-N 3.28Å; N113-T116 PolarHBondContact O-OG1 3.47Å; N113-T116 PolarHBondContact OD1-N 3.31Å
117	I	92.6	Very high	92.4	Very high	85 Å²	85	105.9 Å²	105.9	44%	0.436	56%	0.558	S	S	.	*	H	α-helix	trans	-68.5	-43.5	-176.9	-69.6	166.7	0	0	0	111.8	I11 W112 N113	I11-I117 HydrophobicContact CG2-CD1 4.2Å; W112-I117 HydrophobicContact CB-CD1 3.94Å; W112-I117 HydrophobicContact CB-CG1 3.63Å; W112-I117 HydrophobicContact CD2-CG1 4.34Å; W112-I117 HydrophobicContact CE3-CG1 3.94Å; W112-I117 HydrophobicContact CG-CG1 4.27Å; N113-I117 WeakPolarHBondContact O-CB 3.45Å; N113-I117 WeakPolarHBondContact O-CD1 3.43Å; N113-I117 WeakPolarHBondContact O-CG1 3.43Å; N113-I117 PolarHBondContact O-N 3.16Å
118	S	92.3	Very high	92.1	Very high	79 Å²	79	109 Å²	109	55%	0.552	58%	0.578	S	S	*	*			trans	-154	170.5	-173.4	65.9	0	0	0	0	112
119	Q	91.9	Very high	91.7	Very high	182 Å²	182	109.1 Å²	109.1	85%	0.85	58%	0.576	S	S	*	*			trans	-127.3	157.1	172	-64	178.5	-3.9	0	0	108.1	G121	Q119-G121 PolarHBondContact O-N 3.24Å
120	E	92	Very high	90.6	Very high	158 Å²	158	109 Å²	109	74%	0.738	58%	0.581	S	S	*	*			trans	-64.7	94.2	176.3	-171.8	176.9	-163.9	0	0	110.2	S123	E120-S123 WeakPolarHBondContact OE1-CB 3.5Å; E120-S123 PolarHBondContact OE1-OG 3.33Å
121	G	94	Very high	89.5	Confident	81 Å²	81	111.4 Å²	111.4	84%	0.835	60%	0.601	S	S	*	*			trans	-78.6	-33.1	-176.9	0	0	0	0	0	113.8	Q119	Q119-G121 PolarHBondContact O-N 3.24Å
122	F	94.1	Very high	88.2	Confident	175 Å²	175	115.1 Å²	115.1	77%	0.768	63%	0.625	S	S	*	*			trans	-156.4	136.9	178.2	178.4	-100.5	0	0	0	110.3	T124	F122-T124 WeakPolarHBondContact CE1-OG1 3.3Å; F122-T124 WeakPolarHBondContact CE2-OG1 3.47Å; F122-T124 HydrophobicContact CZ-CG2 4.45Å; F122-T124 WeakPolarHBondContact CZ-OG1 3.48Å
123	S	94	Very high	86.6	Confident	77 Å²	77	115 Å²	115	54%	0.538	64%	0.64	S	S	.	*			trans	-143.5	122.9	178.8	-170.3	0	0	0	0	109.3	E120	E120-S123 WeakPolarHBondContact OE1-CB 3.5Å; E120-S123 PolarHBondContact OE1-OG 3.33Å
124	T	93.9	Very high	85	Confident	82 Å²	82	121.6 Å²	121.6	50%	0.503	67%	0.67	S	S	.	*			trans	-147.3	125	178.6	-72	0	0	0	0	109	F122 R126	F122-T124 WeakPolarHBondContact CE1-OG1 3.3Å; F122-T124 WeakPolarHBondContact CE2-OG1 3.47Å; F122-T124 HydrophobicContact CZ-CG2 4.45Å; F122-T124 WeakPolarHBondContact CZ-OG1 3.48Å; T124-R126 HydrophobicContact CG2-CG 4.36Å
125	T	93.3	Very high	83.5	Confident	127 Å²	127	122 Å²	122	78%	0.779	68%	0.675	S	S	*	*			trans	-104.8	138	175.1	54.9	0	0	0	0	109.6
126	R	90.2	Very high	82	Confident	235 Å²	235	122.8 Å²	122.8	89%	0.887	68%	0.676	S	S	*	*			trans	-128.9	113.3	174.1	-69.2	-175.2	179	-174.9	0.2	108.7	T124	T124-R126 HydrophobicContact CG2-CG 4.36Å
127	I	90	Very high	80.8	Confident	137 Å²	137	128.5 Å²	128.5	70%	0.703	70%	0.696	S	S	*	*			trans	-94.3	115.7	175.3	-58.8	173.9	0	0	0	107.3	K129	I127-K129 VanDerWaalsContact C-N 3.26Å; I127-K129 HydrophobicContact CG2-CG 3.99Å; I127-K129 PolarHBondContact O-N 3.14Å
128	N	83.6	Confident	79.9	Confident	154 Å²	154	132.1 Å²	132.1	82%	0.824	72%	0.715	S	S	*	*			trans	-74.4	80.7	174.7	-169.9	9.8	0	0	0	109.9	T130	N128-T130 PolarHBondContact O-N 3.35Å
129	K	81.2	Confident	79.1	Confident	168 Å²	168	131 Å²	131	73%	0.73	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-71.7	124.2	171.5	-66.4	-176	180	-179.7	0	108.1	I127 P131	I127-K129 VanDerWaalsContact C-N 3.26Å; I127-K129 HydrophobicContact CG2-CG 3.99Å; I127-K129 PolarHBondContact O-N 3.14Å; K129-P131 WeakPolarHBondContact O-CD 3.43Å
130	T	68.2	Low	78.8	Confident	129 Å²	129	125.9 Å²	125.9	79%	0.791	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-58.3	122.3	174.6	43.4	0	0	0	0	109.4	N128	N128-T130 PolarHBondContact O-N 3.35Å
131	P	67.9	Low	78.4	Confident	103 Å²	103	125.4 Å²	125.4	67%	0.669	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.8	153.1	172.7	25.7	-32.4	0	0	0	109.7	K129 A133	K129-P131 WeakPolarHBondContact O-CD 3.43Å; P131-A133 PolarHBondContact O-N 2.82Å
132	P	66.9	Low	78.1	Confident	118 Å²	118	128.9 Å²	128.9	77%	0.766	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-55.9	141.2	171.3	7	-5.1	0	0	0	109.5	E134	P132-E134 PolarHBondContact O-N 2.9Å
133	A	61.1	Low	77.7	Confident	71 Å²	71	125 Å²	125	59%	0.587	66%	0.664	S	S	*	*			trans	-57.7	108.9	177.1	0	0	0	0	0	109.5	P131	P131-A133 PolarHBondContact O-N 2.82Å
134	E	60.5	Low	77.4	Confident	142 Å²	142	122.8 Å²	122.8	66%	0.664	65%	0.648	S	S	*	*			trans	-67.6	144.6	169.5	-70.1	-175.2	-178.7	0	0	108.8	P132 E136	P132-E134 PolarHBondContact O-N 2.9Å; E134-E136 PolarHBondContact O-N 3.39Å
135	P	61.6	Low	77.1	Confident	117 Å²	117	122.3 Å²	122.3	76%	0.76	65%	0.648	S	S	*	*			trans	-54.8	137	172.7	24.3	-32.7	0	0	0	109.3	K137	P135-K137 PolarHBondContact O-N 3.49Å
136	E	60.9	Low	77	Confident	108 Å²	108	120.6 Å²	120.6	51%	0.505	63%	0.633	S	S	.	*			trans	-47.3	111.3	177.7	-72.4	176.3	165.6	0	0	108.7	E134 I138 K220	E134-E136 PolarHBondContact O-N 3.39Å; E136-I138 PolarHBondContact O-N 3.02Å; E136-I138 VanDerWaalsContact O-N 3.1Å; E136-K220 VanDerWaalsContact OE1-CE 3.31Å; E136-K220 WeakPolarHBondContact OE1-CE 3.39Å; E136-K220 IonicContact OE1-NZ 3.75Å; E136-K220 VanDerWaalsContact OE2-CE 3.32Å; E136-K220 WeakPolarHBondContact OE2-CE 3.49Å; E136-K220 IonicContact OE2-NZ 2.73Å; E136-K220 PolarHBondContact OE2-NZ 3Å
137	K	66.9	Low	77	Confident	170 Å²	170	110.2 Å²	110.2	74%	0.739	60%	0.595	S	S	*	*			trans	-64.8	115.4	171.3	-72.3	-178.6	-175.7	173	0	106.2	P135 M139	P135-K137 PolarHBondContact O-N 3.49Å; K137-M139 PolarHBondContact O-N 3.33Å; K137-M139 VanDerWaalsContact O-N 3.13Å
138	I	72.7	Confident	77.1	Confident	161 Å²	161	106.8 Å²	106.8	83%	0.826	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-59.1	117.3	170.3	-59.4	169.7	0	0	0	105.8	E136	E136-I138 PolarHBondContact O-N 3.02Å; E136-I138 VanDerWaalsContact O-N 3.1Å
139	M	76.9	Confident	77.5	Confident	57 Å²	57	103.7 Å²	103.7	28%	0.281	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-61.4	143.1	178.6	-62.9	-171.8	93.3	0	0	109.1	K137 E143 V144 F147 E181	K137-M139 PolarHBondContact O-N 3.33Å; K137-M139 VanDerWaalsContact O-N 3.13Å; M139-E143 VanDerWaalsContact CA-OE2 3.29Å; M139-E143 WeakPolarHBondContact CA-OE2 3.45Å; M139-E143 HydrophobicContact CB-CB 4.02Å; M139-E143 HydrophobicContact CE-CB 3.98Å; M139-V144 HydrophobicContact CB-CG2 3.7Å; M139-F147 HydrophobicContact CE-CB 4.41Å; M139-E181 HydrophobicContact CG-CG 4.48Å; M139-E181 VanDerWaalsContact SD-CD 3.56Å; M139-E181 HydrophobicContact SD-CG 3.66Å
140	T	84.6	Confident	78	Confident	73 Å²	73	102.5 Å²	102.5	45%	0.448	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-68.9	158.6	171.7	65.2	0	0	0	0	110.3	E142 E143 V144	T140-E142 PolarHBondContact O-N 2.99Å; T140-E142 VanDerWaalsContact O-N 3.16Å; T140-E143 PolarHBondContact N-OE2 2.88Å; T140-E143 WeakPolarHBondContact O-CB 3.28Å; T140-E143 PolarHBondContact O-N 2.84Å; T140-E143 VanDerWaalsContact OG1-CG 3.25Å; T140-E143 WeakPolarHBondContact OG1-CG 3.36Å; T140-E143 PolarHBondContact OG1-N 3.48Å; T140-V144 WeakPolarHBondContact O-CG2 3.41Å; T140-V144 PolarHBondContact O-N 2.95Å
141	D	84.7	Confident	79.1	Confident	149 Å²	149	97 Å²	97	80%	0.797	53%	0.526	S	S	*	.	H	α-helix	trans	-56.8	-34	179.3	-67.8	-15.2	0	0	0	112.3	S145	D141-S145 WeakPolarHBondContact O-CB 3.44Å; D141-S145 PolarHBondContact O-N 2.89Å
142	E	86.4	Confident	80.3	Confident	154 Å²	154	93.6 Å²	93.6	72%	0.72	51%	0.507	S	S	*	.	H	α-helix	trans	-66.2	-44.5	174.1	-65.4	-177.3	177.1	0	0	112	T140 V144 S145 N146	T140-E142 PolarHBondContact O-N 2.99Å; T140-E142 VanDerWaalsContact O-N 3.16Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 2.99Å; E142-S145 PolarHBondContact O-N 3.03Å; E142-N146 VanDerWaalsContact O-CG 3.25Å; E142-N146 PolarHBondContact O-N 3.49Å; E142-N146 PolarHBondContact O-ND2 3.35Å
143	E	87.1	Confident	81.5	Confident	94 Å²	94	93.9 Å²	93.9	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-38.5	176.6	-73.5	172	171.1	0	0	111.9	M139 T140 N146 F147	M139-E143 VanDerWaalsContact CA-OE2 3.29Å; M139-E143 WeakPolarHBondContact CA-OE2 3.45Å; M139-E143 HydrophobicContact CB-CB 4.02Å; M139-E143 HydrophobicContact CE-CB 3.98Å; T140-E143 PolarHBondContact N-OE2 2.88Å; T140-E143 WeakPolarHBondContact O-CB 3.28Å; T140-E143 PolarHBondContact O-N 2.84Å; T140-E143 VanDerWaalsContact OG1-CG 3.25Å; T140-E143 WeakPolarHBondContact OG1-CG 3.36Å; T140-E143 PolarHBondContact OG1-N 3.48Å; E143-N146 PolarHBondContact O-N 3.41Å; E143-F147 VanDerWaalsContact O-CB 3.28Å; E143-F147 WeakPolarHBondContact O-CB 3.31Å; E143-F147 PolarHBondContact O-N 3.49Å
144	V	87.4	Confident	83.1	Confident	30 Å²	30	92 Å²	92	18%	0.182	48%	0.479	C	S	.	.	H	α-helix	trans	-64.6	-44.5	174.7	176	0	0	0	0	110.6	M139 T140 E142 N146 F147 Y148 E181	M139-V144 HydrophobicContact CB-CG2 3.7Å; T140-V144 WeakPolarHBondContact O-CG2 3.41Å; T140-V144 PolarHBondContact O-N 2.95Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 2.99Å; V144-N146 VanDerWaalsContact C-N 3.35Å; V144-N146 PolarHBondContact O-N 2.76Å; V144-F147 PolarHBondContact O-N 2.88Å; V144-Y148 HydrophobicContact CG1-CD1 4.39Å; V144-Y148 HydrophobicContact CG1-CD2 4.17Å; V144-Y148 HydrophobicContact CG1-CE1 3.89Å; V144-Y148 HydrophobicContact CG1-CE2 3.64Å; V144-Y148 VanDerWaalsContact CG1-CZ 3.48Å; V144-Y148 PolarHBondContact O-N 3.4Å; V144-E181 HydrophobicContact CG2-CG 4.24Å
145	S	88	Confident	84.7	Confident	72 Å²	72	85.2 Å²	85.2	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-61.8	-42.6	177.3	-174.8	0	0	0	0	112	D141 E142 Y148 S149	D141-S145 WeakPolarHBondContact O-CB 3.44Å; D141-S145 PolarHBondContact O-N 2.89Å; E142-S145 PolarHBondContact O-N 3.03Å; S145-Y148 PolarHBondContact O-N 2.95Å; S145-S149 PolarHBondContact O-N 3.32Å; S145-S149 PolarHBondContact O-OG 3.42Å
146	N	90.5	Very high	86.2	Confident	90 Å²	90	83.8 Å²	83.8	48%	0.481	43%	0.43	S	S	.	.	H	α-helix	trans	-66.6	-41.2	175.6	-68.3	-22	0	0	0	111.5	E142 E143 V144 Y148 S149 E150	E142-N146 VanDerWaalsContact O-CG 3.25Å; E142-N146 PolarHBondContact O-N 3.49Å; E142-N146 PolarHBondContact O-ND2 3.35Å; E143-N146 PolarHBondContact O-N 3.41Å; V144-N146 VanDerWaalsContact C-N 3.35Å; V144-N146 PolarHBondContact O-N 2.76Å; N146-Y148 VanDerWaalsContact C-N 3.29Å; N146-Y148 PolarHBondContact O-N 3.12Å; N146-S149 PolarHBondContact O-N 3.03Å; N146-S149 PolarHBondContact O-OG 3.15Å; N146-E150 WeakPolarHBondContact O-CB 3.48Å; N146-E150 WeakPolarHBondContact O-CG 3.43Å; N146-E150 PolarHBondContact O-N 3.38Å
147	F	90.9	Very high	87.7	Confident	18 Å²	18	84 Å²	84	8%	0.079	43%	0.431	C	S	.	.	H	α-helix	trans	-60.2	-41.1	175.8	-178.7	-94.1	0	0	0	111.6	M139 E143 V144 N151 C179 E181 A182	M139-F147 HydrophobicContact CE-CB 4.41Å; E143-F147 VanDerWaalsContact O-CB 3.28Å; E143-F147 WeakPolarHBondContact O-CB 3.31Å; E143-F147 PolarHBondContact O-N 3.49Å; V144-F147 PolarHBondContact O-N 2.88Å; F147-N151 WeakPolarHBondContact CD2-ND2 3.45Å; F147-N151 HydrophobicContact CE1-CB 4.35Å; F147-N151 HydrophobicContact CE2-CB 4.42Å; F147-N151 WeakPolarHBondContact CE2-ND2 3.24Å; F147-N151 HydrophobicContact CZ-CB 4.17Å; F147-N151 VanDerWaalsContact O-CB 3.29Å; F147-N151 WeakPolarHBondContact O-CB 3.42Å; F147-N151 PolarHBondContact O-N 2.95Å; F147-N151 PolarHBondContact O-ND2 3.41Å; F147-C179 WeakPolarHBondContact CZ-SG 3.44Å; F147-E181 HydrophobicContact CD1-CB 3.65Å; F147-E181 HydrophobicContact CE1-CB 3.78Å; F147-E181 HydrophobicContact CG-CB 4.41Å; F147-A182 HydrophobicContact CE1-CB 4.11Å; F147-A182 HydrophobicContact CZ-CB 4.05Å
148	Y	91.4	Very high	89.1	Confident	65 Å²	65	76 Å²	76	26%	0.255	40%	0.396	S	S	.	.	H	α-helix	trans	-66.8	-42	177.4	-70.1	-6.2	0	0	0	112.5	V144 S145 N146 A152 E181 L185 L188	V144-Y148 HydrophobicContact CG1-CD1 4.39Å; V144-Y148 HydrophobicContact CG1-CD2 4.17Å; V144-Y148 HydrophobicContact CG1-CE1 3.89Å; V144-Y148 HydrophobicContact CG1-CE2 3.64Å; V144-Y148 VanDerWaalsContact CG1-CZ 3.48Å; V144-Y148 PolarHBondContact O-N 3.4Å; S145-Y148 PolarHBondContact O-N 2.95Å; N146-Y148 VanDerWaalsContact C-N 3.29Å; N146-Y148 PolarHBondContact O-N 3.12Å; Y148-A152 WeakPolarHBondContact O-CB 3.22Å; Y148-A152 PolarHBondContact O-N 3.01Å; Y148-E181 HydrophobicContact CE1-CB 4.2Å; Y148-E181 WeakPolarHBondContact CE1-O 3.5Å; Y148-L185 HydrophobicContact CD1-CB 4.17Å; Y148-L185 HydrophobicContact CD1-CD1 3.79Å; Y148-L185 HydrophobicContact CD1-CG 4.26Å; Y148-L185 HydrophobicContact CE1-CB 4.02Å; Y148-L185 HydrophobicContact CE1-CD1 4.47Å; Y148-L185 HydrophobicContact CG-CD1 4.34Å; Y148-L188 HydrophobicContact CE2-CD1 4.36Å
149	S	90.8	Very high	90.1	Very high	88 Å²	88	68.3 Å²	68.3	62%	0.615	36%	0.356	S	S	*	.	H	α-helix	trans	-67.6	-38.4	179.3	63.5	0	0	0	0	112.4	S145 N146	S145-S149 PolarHBondContact O-N 3.32Å; S145-S149 PolarHBondContact O-OG 3.42Å; N146-S149 PolarHBondContact O-N 3.03Å; N146-S149 PolarHBondContact O-OG 3.15Å
150	E	92.4	Very high	90.9	Very high	143 Å²	143	70.4 Å²	70.4	67%	0.668	37%	0.367	S	S	*	.	H	α-helix	trans	-76.4	-36.4	-179.2	-69.4	177	-178.6	0	0	113	N146	N146-E150 WeakPolarHBondContact O-CB 3.48Å; N146-E150 WeakPolarHBondContact O-CG 3.43Å; N146-E150 PolarHBondContact O-N 3.38Å
151	N	92.4	Very high	91.4	Very high	13 Å²	13	68.9 Å²	68.9	7%	0.07	36%	0.356	C	S	.	.	H	α-helix	trans	-108.5	3	-169.9	-58.9	-70.6	0	0	0	114.5	F147 E153 V154 A155 Q176 L177	F147-N151 WeakPolarHBondContact CD2-ND2 3.45Å; F147-N151 HydrophobicContact CE1-CB 4.35Å; F147-N151 HydrophobicContact CE2-CB 4.42Å; F147-N151 WeakPolarHBondContact CE2-ND2 3.24Å; F147-N151 HydrophobicContact CZ-CB 4.17Å; F147-N151 VanDerWaalsContact O-CB 3.29Å; F147-N151 WeakPolarHBondContact O-CB 3.42Å; F147-N151 PolarHBondContact O-N 2.95Å; F147-N151 PolarHBondContact O-ND2 3.41Å; N151-E153 PolarHBondContact O-N 3.19Å; N151-V154 PolarHBondContact O-N 3.01Å; N151-A155 WeakPolarHBondContact O-CB 3.36Å; N151-A155 PolarHBondContact O-N 3.39Å; N151-Q176 WeakPolarHBondContact OD1-CG 3.49Å; N151-L177 HydrophobicContact CB-CD2 4.22Å
152	A	91.4	Very high	91.6	Very high	33 Å²	33	67.3 Å²	67.3	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-57	-48.6	-178.9	0	0	0	0	0	113.7	Y148 K156	Y148-A152 WeakPolarHBondContact O-CB 3.22Å; Y148-A152 PolarHBondContact O-N 3.01Å; A152-K156 WeakPolarHBondContact O-CB 3.36Å; A152-K156 PolarHBondContact O-N 3.22Å
153	E	92.9	Very high	91.8	Very high	124 Å²	124	66.6 Å²	66.6	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-70.3	-41.8	-179.3	-66.4	-58.8	148.9	0	0	111.4	N151 A155 K156 E157	N151-E153 PolarHBondContact O-N 3.19Å; E153-A155 VanDerWaalsContact C-N 3.35Å; E153-A155 PolarHBondContact O-N 3.23Å; E153-K156 WeakPolarHBondContact O-CB 3.37Å; E153-K156 PolarHBondContact O-N 3.05Å; E153-K156 VanDerWaalsContact O-N 3.16Å; E153-E157 WeakPolarHBondContact O-CG 3.42Å; E153-E157 PolarHBondContact O-N 3.01Å
154	V	94.3	Very high	91.8	Very high	30 Å²	30	66.5 Å²	66.5	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-40.7	178.5	-169.5	0	0	0	0	111.1	N151 K156 E157 F158 F170 H174 L177	N151-V154 PolarHBondContact O-N 3.01Å; V154-K156 VanDerWaalsContact C-N 3.35Å; V154-E157 PolarHBondContact O-N 2.87Å; V154-F158 PolarHBondContact O-N 2.9Å; V154-F170 HydrophobicContact CG1-CE1 3.84Å; V154-F170 HydrophobicContact CG1-CZ 3.76Å; V154-H174 HydrophobicContact CG1-CB 4.07Å; V154-L177 HydrophobicContact CG1-CD1 4Å; V154-L177 HydrophobicContact CG1-CG 4.49Å
155	A	93.8	Very high	92.1	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-39.3	174.6	0	0	0	0	0	111.4	N151 E153 F158 G159 L177 L185 L186	N151-A155 WeakPolarHBondContact O-CB 3.36Å; N151-A155 PolarHBondContact O-N 3.39Å; E153-A155 VanDerWaalsContact C-N 3.35Å; E153-A155 PolarHBondContact O-N 3.23Å; A155-F158 WeakPolarHBondContact O-CB 3.34Å; A155-F158 PolarHBondContact O-N 3.33Å; A155-G159 PolarHBondContact O-N 3.46Å; A155-L177 HydrophobicContact CB-CD2 3.96Å; A155-L185 HydrophobicContact CB-CD1 4.22Å; A155-L185 HydrophobicContact CB-CD2 3.64Å; A155-L185 HydrophobicContact CB-CG 4.48Å; A155-L186 HydrophobicContact CB-CD2 4.25Å; A155-L186 VanDerWaalsContact O-CD2 3.24Å; A155-L186 WeakPolarHBondContact O-CD2 3.49Å
156	K	93	Very high	92.4	Very high	87 Å²	87	71.4 Å²	71.4	38%	0.378	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-44.3	174.9	-172.8	-179	174.5	-172.3	0	111.5	A152 E153 V154 F158 G159 M160	A152-K156 WeakPolarHBondContact O-CB 3.36Å; A152-K156 PolarHBondContact O-N 3.22Å; E153-K156 WeakPolarHBondContact O-CB 3.37Å; E153-K156 PolarHBondContact O-N 3.05Å; E153-K156 VanDerWaalsContact O-N 3.16Å; V154-K156 VanDerWaalsContact C-N 3.35Å; K156-F158 VanDerWaalsContact C-N 3.35Å; K156-F158 PolarHBondContact O-N 2.7Å; K156-G159 PolarHBondContact O-N 3.29Å; K156-M160 VanDerWaalsContact O-CG 3.29Å; K156-M160 WeakPolarHBondContact O-CG 3.4Å; K156-M160 PolarHBondContact O-N 3.32Å
157	E	94.4	Very high	92.6	Very high	112 Å²	112	67.1 Å²	67.1	52%	0.523	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-46.8	174.5	-73.1	179.6	-179.6	0	0	111.5	E153 V154 G159 M160 F170	E153-E157 WeakPolarHBondContact O-CG 3.42Å; E153-E157 PolarHBondContact O-N 3.01Å; V154-E157 PolarHBondContact O-N 2.87Å; E157-G159 VanDerWaalsContact C-N 3.34Å; E157-G159 PolarHBondContact O-N 3.12Å; E157-M160 PolarHBondContact O-N 3.07Å; E157-M160 VanDerWaalsContact O-N 3.17Å; E157-F170 HydrophobicContact CB-CE2 4.11Å; E157-F170 HydrophobicContact CB-CZ 3.81Å
158	F	95.4	Very high	92.7	Very high	1 Å²	1	68.2 Å²	68.2	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-44.4	174.9	179.3	-105.9	0	0	0	112.3	V154 A155 K156 M160 L161 F170 L171 L177 L186 Q208 I211 I212	V154-F158 PolarHBondContact O-N 2.9Å; A155-F158 WeakPolarHBondContact O-CB 3.34Å; A155-F158 PolarHBondContact O-N 3.33Å; K156-F158 VanDerWaalsContact C-N 3.35Å; K156-F158 PolarHBondContact O-N 2.7Å; F158-M160 PolarHBondContact O-N 2.67Å; F158-M160 VanDerWaalsContact O-N 3.15Å; F158-L161 HydrophobicContact CD2-CD1 4.12Å; F158-L161 WeakPolarHBondContact O-CB 3.48Å; F158-L161 PolarHBondContact O-N 3.04Å; F158-F170 HydrophobicContact CB-CD1 3.83Å; F158-F170 HydrophobicContact CB-CE1 3.62Å; F158-F170 HydrophobicContact CB-CZ 4.45Å; F158-F170 HydrophobicContact CD2-CB 4.48Å; F158-F170 AromaticContact CD2-CD1 3.7Å; F158-F170 HydrophobicContact CD2-CD1 3.7Å; F158-F170 HydrophobicContact CD2-CE1 4.38Å; F158-F170 HydrophobicContact CD2-CG 4.37Å; F158-F170 HydrophobicContact CG-CD1 4.2Å; F158-F170 HydrophobicContact CG-CE1 4.44Å; F158-L171 HydrophobicContact CD2-CD2 4Å; F158-L171 HydrophobicContact CD2-CG 4.11Å; F158-L171 HydrophobicContact CE2-CD1 3.73Å; F158-L171 HydrophobicContact CE2-CD2 3.69Å; F158-L171 HydrophobicContact CE2-CG 3.49Å; F158-L171 VanDerWaalsContact CE2-CG 3.49Å; F158-L171 HydrophobicContact CZ-CD1 3.79Å; F158-L171 HydrophobicContact CZ-CD2 3.96Å; F158-L171 HydrophobicContact CZ-CG 3.99Å; F158-L177 HydrophobicContact CB-CD1 3.91Å; F158-L177 HydrophobicContact CG-CD1 4.33Å; F158-L186 HydrophobicContact CD1-CD1 3.96Å; F158-L186 HydrophobicContact CE1-CD1 4.2Å; F158-Q208 HydrophobicContact CD1-CB 4.06Å; F158-Q208 HydrophobicContact CE1-CB 3.68Å; F158-Q208 HydrophobicContact CE1-CG 4.42Å; F158-Q208 HydrophobicContact CZ-CB 4.32Å; F158-Q208 WeakPolarHBondContact O-CG 3.32Å; F158-I211 HydrophobicContact CZ-CG2 4.26Å; F158-I212 HydrophobicContact CD1-CD1 3.99Å; F158-I212 HydrophobicContact CE1-CD1 3.59Å; F158-I212 HydrophobicContact CE1-CG1 3.66Å; F158-I212 HydrophobicContact CZ-CD1 4.44Å; F158-I212 HydrophobicContact CZ-CG1 4.14Å
159	G	93.9	Very high	92.9	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.7	-25.6	178.1	0	0	0	0	0	113.8	A155 K156 E157 H204	A155-G159 PolarHBondContact O-N 3.46Å; K156-G159 PolarHBondContact O-N 3.29Å; E157-G159 VanDerWaalsContact C-N 3.34Å; E157-G159 PolarHBondContact O-N 3.12Å; G159-H204 PolarHBondContact O-CD2 3.47Å
160	M	93.8	Very high	93.1	Very high	102 Å²	102	67.7 Å²	67.7	50%	0.502	31%	0.31	S	S	.	.	H	α-helix	trans	-85.1	-11.4	178.5	-62.2	-63.8	-84.6	0	0	113.4	K156 E157 F158 L201 H204	K156-M160 VanDerWaalsContact O-CG 3.29Å; K156-M160 WeakPolarHBondContact O-CG 3.4Å; K156-M160 PolarHBondContact O-N 3.32Å; E157-M160 PolarHBondContact O-N 3.07Å; E157-M160 VanDerWaalsContact O-N 3.17Å; F158-M160 PolarHBondContact O-N 2.67Å; F158-M160 VanDerWaalsContact O-N 3.15Å; M160-L201 HydrophobicContact CE-CD1 4.04Å; M160-L201 HydrophobicContact SD-CD1 3.72Å; M160-H204 PolarHBondContact O-NE2 3.4Å
161	L	94.5	Very high	93.2	Very high	40 Å²	40	60.9 Å²	60.9	21%	0.209	28%	0.278	C	S	.	.			trans	-72.1	164	177.5	-59.8	178	0	0	0	111.8	F158 D166 F170 H204 Q208	F158-L161 HydrophobicContact CD2-CD1 4.12Å; F158-L161 WeakPolarHBondContact O-CB 3.48Å; F158-L161 PolarHBondContact O-N 3.04Å; L161-D166 HydrophobicContact CD2-CB 4.3Å; L161-F170 HydrophobicContact CD1-CB 3.62Å; L161-F170 HydrophobicContact CD1-CD1 4.42Å; L161-F170 HydrophobicContact CD1-CD2 4.04Å; L161-F170 HydrophobicContact CD1-CG 3.77Å; L161-H204 PolarHBondContact O-NE2 2.99Å; L161-H204 VanDerWaalsContact O-NE2 3.07Å; L161-Q208 PolarHBondContact O-NE2 3.26Å
162	R	89.2	Confident	93.3	Very high	117 Å²	117	63.3 Å²	63.3	44%	0.442	29%	0.291	S	S	.	.			trans	-141.8	-43.2	177	-176.2	60	177.9	164.1	3.3	113.5	W164	R162-W164 PolarHBondContact O-N 3.15Å
163	K	90.5	Very high	93.5	Very high	138 Å²	138	64.9 Å²	64.9	60%	0.6	30%	0.304	S	S	*	.	S	Bend	trans	-70.7	133.5	-178.5	-63.6	-179.2	-176.1	169.3	0	108.9	R165 D166 S167	K163-R165 VanDerWaalsContact C-N 3.26Å; K163-R165 PolarHBondContact O-N 2.92Å; K163-D166 HydrophobicContact CB-CB 4.29Å; K163-D166 WeakPolarHBondContact CB-OD2 3.3Å; K163-D166 PolarHBondContact O-N 2.87Å; K163-D166 VanDerWaalsContact O-N 3.15Å; K163-S167 PolarHBondContact O-N 3.4Å; K163-S167 PolarHBondContact O-OG 3.21Å
164	W	88	Confident	93.6	Very high	93 Å²	93	61.6 Å²	61.6	35%	0.352	29%	0.288	S	S	.	.	H	α-helix	trans	-56.4	-38.3	180	63.6	-79	0	0	0	112.6	R162 Q168 F236 Q240	R162-W164 PolarHBondContact O-N 3.15Å; W164-Q168 VanDerWaalsContact O-CB 3.31Å; W164-Q168 WeakPolarHBondContact O-CB 3.29Å; W164-Q168 PolarHBondContact O-N 3.26Å; W164-F236 HydrophobicContact CB-CD1 4.15Å; W164-F236 HydrophobicContact CB-CE1 4.48Å; W164-F236 HydrophobicContact CE3-CB 4.47Å; W164-F236 WeakPolarHBondContact O-CD1 3.43Å; W164-F236 WeakPolarHBondContact O-CE1 3.32Å; W164-Q240 HydrophobicContact CD2-CG 3.88Å; W164-Q240 HydrophobicContact CE3-CG 3.49Å; W164-Q240 VanDerWaalsContact CE3-CG 3.49Å; W164-Q240 HydrophobicContact CH2-CG 4.09Å; W164-Q240 VanDerWaalsContact CZ2-CD 3.43Å; W164-Q240 HydrophobicContact CZ2-CG 4.42Å; W164-Q240 HydrophobicContact CZ3-CG 3.6Å; W164-Q240 VanDerWaalsContact CZ3-NE2 3.34Å
165	R	92.2	Very high	93.5	Very high	140 Å²	140	62 Å²	62	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-64.6	-46.3	175.9	-179.3	180	-78.4	-113.3	2.9	112.2	K163 Q168 E169	K163-R165 VanDerWaalsContact C-N 3.26Å; K163-R165 PolarHBondContact O-N 2.92Å; R165-Q168 WeakPolarHBondContact O-CB 3.44Å; R165-Q168 PolarHBondContact O-N 2.97Å; R165-E169 HydrophobicContact CG-CG 4.48Å; R165-E169 WeakPolarHBondContact CG-OE1 3.33Å; R165-E169 IonicContact NH1-OE1 3.9Å; R165-E169 WeakPolarHBondContact O-CG 3.47Å; R165-E169 PolarHBondContact O-N 3.42Å
166	D	94.7	Very high	93.4	Very high	65 Å²	65	65 Å²	65	35%	0.348	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-44.3	179.7	-52.9	-5.6	0	0	0	109.8	L161 K163 Q168 E169 F170	L161-D166 HydrophobicContact CD2-CB 4.3Å; K163-D166 HydrophobicContact CB-CB 4.29Å; K163-D166 WeakPolarHBondContact CB-OD2 3.3Å; K163-D166 PolarHBondContact O-N 2.87Å; K163-D166 VanDerWaalsContact O-N 3.15Å; D166-Q168 VanDerWaalsContact C-N 3.32Å; D166-Q168 PolarHBondContact O-N 3.26Å; D166-E169 PolarHBondContact O-N 3.47Å; D166-F170 VanDerWaalsContact O-CB 3.22Å; D166-F170 WeakPolarHBondContact O-CB 3.28Å; D166-F170 PolarHBondContact O-N 2.9Å
167	S	94.3	Very high	93.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-39.1	173.6	-68.4	0	0	0	0	112.3	K163 L171 Q208	K163-S167 PolarHBondContact O-N 3.4Å; K163-S167 PolarHBondContact O-OG 3.21Å; S167-L171 WeakPolarHBondContact O-CB 3.43Å; S167-L171 VanDerWaalsContact O-CG 3.31Å; S167-L171 WeakPolarHBondContact O-CG 3.41Å; S167-L171 PolarHBondContact O-N 3.31Å; S167-Q208 PolarHBondContact OG-NE2 3.13Å; S167-Q208 VanDerWaalsContact OG-NE2 3.15Å; S167-Q208 PolarHBondContact OG-OE1 3.45Å
168	Q	94	Very high	93.3	Very high	40 Å²	40	55.6 Å²	55.6	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-52.5	177.3	179.5	-176.1	-15.1	0	0	111.8	W164 R165 D166 F170 L171 I172 I232 F236	W164-Q168 VanDerWaalsContact O-CB 3.31Å; W164-Q168 WeakPolarHBondContact O-CB 3.29Å; W164-Q168 PolarHBondContact O-N 3.26Å; R165-Q168 WeakPolarHBondContact O-CB 3.44Å; R165-Q168 PolarHBondContact O-N 2.97Å; D166-Q168 VanDerWaalsContact C-N 3.32Å; D166-Q168 PolarHBondContact O-N 3.26Å; Q168-F170 VanDerWaalsContact C-N 3.26Å; Q168-F170 PolarHBondContact O-N 3.48Å; Q168-L171 PolarHBondContact O-N 3.06Å; Q168-I172 HydrophobicContact CG-CD1 3.88Å; Q168-I172 VanDerWaalsContact O-CG1 3.28Å; Q168-I172 WeakPolarHBondContact O-CG1 3.38Å; Q168-I172 PolarHBondContact O-N 3.23Å; Q168-I232 HydrophobicContact CG-CG2 4.48Å; Q168-F236 HydrophobicContact CB-CB 4.2Å; Q168-F236 HydrophobicContact CB-CD1 4.2Å; Q168-F236 HydrophobicContact CB-CD2 3.5Å; Q168-F236 VanDerWaalsContact CB-CD2 3.5Å; Q168-F236 HydrophobicContact CB-CE1 4.49Å; Q168-F236 HydrophobicContact CB-CE2 3.86Å; Q168-F236 HydrophobicContact CB-CG 3.7Å; Q168-F236 HydrophobicContact CB-CZ 4.33Å; Q168-F236 HydrophobicContact CG-CB 4.17Å; Q168-F236 HydrophobicContact CG-CD2 3.66Å; Q168-F236 HydrophobicContact CG-CE2 4.33Å; Q168-F236 HydrophobicContact CG-CG 4.04Å
169	E	94.8	Very high	93.1	Very high	110 Å²	110	56.2 Å²	56.2	51%	0.514	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-39.8	-179.7	-71.7	175.6	-168	0	0	110.5	R165 D166 I172 A173	R165-E169 HydrophobicContact CG-CG 4.48Å; R165-E169 WeakPolarHBondContact CG-OE1 3.33Å; R165-E169 IonicContact NH1-OE1 3.9Å; R165-E169 WeakPolarHBondContact O-CG 3.47Å; R165-E169 PolarHBondContact O-N 3.42Å; D166-E169 PolarHBondContact O-N 3.47Å; E169-I172 PolarHBondContact O-N 2.74Å; E169-A173 WeakPolarHBondContact O-CB 3.49Å; E169-A173 PolarHBondContact O-N 3.46Å
170	F	95.6	Very high	93	Very high	32 Å²	32	58.5 Å²	58.5	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-45	177.2	-163.4	-86.5	0	0	0	112.7	V154 E157 F158 L161 D166 Q168 I172 A173 H174 L177	V154-F170 HydrophobicContact CG1-CE1 3.84Å; V154-F170 HydrophobicContact CG1-CZ 3.76Å; E157-F170 HydrophobicContact CB-CE2 4.11Å; E157-F170 HydrophobicContact CB-CZ 3.81Å; F158-F170 HydrophobicContact CB-CD1 3.83Å; F158-F170 HydrophobicContact CB-CE1 3.62Å; F158-F170 HydrophobicContact CB-CZ 4.45Å; F158-F170 HydrophobicContact CD2-CB 4.48Å; F158-F170 AromaticContact CD2-CD1 3.7Å; F158-F170 HydrophobicContact CD2-CD1 3.7Å; F158-F170 HydrophobicContact CD2-CE1 4.38Å; F158-F170 HydrophobicContact CD2-CG 4.37Å; F158-F170 HydrophobicContact CG-CD1 4.2Å; F158-F170 HydrophobicContact CG-CE1 4.44Å; L161-F170 HydrophobicContact CD1-CB 3.62Å; L161-F170 HydrophobicContact CD1-CD1 4.42Å; L161-F170 HydrophobicContact CD1-CD2 4.04Å; L161-F170 HydrophobicContact CD1-CG 3.77Å; D166-F170 VanDerWaalsContact O-CB 3.22Å; D166-F170 WeakPolarHBondContact O-CB 3.28Å; D166-F170 PolarHBondContact O-N 2.9Å; Q168-F170 VanDerWaalsContact C-N 3.26Å; Q168-F170 PolarHBondContact O-N 3.48Å; F170-I172 VanDerWaalsContact C-N 3.32Å; F170-I172 PolarHBondContact O-N 3.18Å; F170-A173 PolarHBondContact O-N 2.96Å; F170-H174 AromaticContact CD1-CD2 3.94Å; F170-H174 HydrophobicContact CE1-CB 4.34Å; F170-H174 AromaticContact CE1-CD2 3.66Å; F170-H174 AromaticContact CE2-CD2 3.89Å; F170-H174 AromaticContact CZ-CD2 3.65Å; F170-H174 PolarHBondContact O-CD2 3.19Å; F170-H174 PolarHBondContact O-N 3.41Å; F170-L177 HydrophobicContact CD1-CD1 4.27Å; F170-L177 HydrophobicContact CE1-CD1 3.72Å
171	L	95	Very high	93	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-29.8	177.7	-71.4	175	0	0	0	112.9	F158 S167 Q168 H174 P175 L177 I211 L215 I232 F236	F158-L171 HydrophobicContact CD2-CD2 4Å; F158-L171 HydrophobicContact CD2-CG 4.11Å; F158-L171 HydrophobicContact CE2-CD1 3.73Å; F158-L171 HydrophobicContact CE2-CD2 3.69Å; F158-L171 HydrophobicContact CE2-CG 3.49Å; F158-L171 VanDerWaalsContact CE2-CG 3.49Å; F158-L171 HydrophobicContact CZ-CD1 3.79Å; F158-L171 HydrophobicContact CZ-CD2 3.96Å; F158-L171 HydrophobicContact CZ-CG 3.99Å; S167-L171 WeakPolarHBondContact O-CB 3.43Å; S167-L171 VanDerWaalsContact O-CG 3.31Å; S167-L171 WeakPolarHBondContact O-CG 3.41Å; S167-L171 PolarHBondContact O-N 3.31Å; Q168-L171 PolarHBondContact O-N 3.06Å; L171-H174 CarbonylContact O-C 3.57Å; L171-H174 VanDerWaalsContact O-C 3.26Å; L171-P175 WeakPolarHBondContact O-CA 3.47Å; L171-L177 HydrophobicContact CD2-CB 3.99Å; L171-I211 HydrophobicContact CD1-CG2 4.45Å; L171-L215 HydrophobicContact CD1-CD2 4.45Å; L171-I232 HydrophobicContact CB-CD1 4.41Å; L171-I232 HydrophobicContact CB-CG2 4.02Å; L171-F236 HydrophobicContact CD1-CE2 3.88Å; L171-F236 HydrophobicContact CD1-CZ 3.98Å
172	I	94.4	Very high	92.9	Very high	65 Å²	65	53.2 Å²	53.2	33%	0.333	26%	0.256	S	S	.	.	H	α-helix	trans	-69.3	-38.6	172.3	-68.7	169.5	0	0	0	110.7	Q168 E169 F170 P175 P229 I232	Q168-I172 HydrophobicContact CG-CD1 3.88Å; Q168-I172 VanDerWaalsContact O-CG1 3.28Å; Q168-I172 WeakPolarHBondContact O-CG1 3.38Å; Q168-I172 PolarHBondContact O-N 3.23Å; E169-I172 PolarHBondContact O-N 2.74Å; F170-I172 VanDerWaalsContact C-N 3.32Å; F170-I172 PolarHBondContact O-N 3.18Å; I172-P175 WeakPolarHBondContact O-CG 3.28Å; I172-P229 HydrophobicContact CG2-CB 4.3Å; I172-I232 HydrophobicContact CG1-CB 4.27Å; I172-I232 HydrophobicContact CG1-CG2 3.9Å
173	A	95.2	Very high	93.2	Very high	66 Å²	66	47.8 Å²	47.8	55%	0.545	24%	0.236	S	C	.	.	H	α-helix	trans	-72.5	-32	175.9	0	0	0	0	0	112.9	E169 F170 P175	E169-A173 WeakPolarHBondContact O-CB 3.49Å; E169-A173 PolarHBondContact O-N 3.46Å; F170-A173 PolarHBondContact O-N 2.96Å; A173-P175 VanDerWaalsContact C-CD 3.45Å; A173-P175 WeakPolarHBondContact O-CD 3.31Å
174	H	94.1	Very high	93.3	Very high	54 Å²	54	44.8 Å²	44.8	25%	0.25	23%	0.227	C	C	.	.			trans	-123	66.5	179.7	-58.5	-76.8	0	0	0	112.6	V154 F170 L171 Q176 L177	V154-H174 HydrophobicContact CG1-CB 4.07Å; F170-H174 AromaticContact CD1-CD2 3.94Å; F170-H174 HydrophobicContact CE1-CB 4.34Å; F170-H174 AromaticContact CE1-CD2 3.66Å; F170-H174 AromaticContact CE2-CD2 3.89Å; F170-H174 AromaticContact CZ-CD2 3.65Å; F170-H174 PolarHBondContact O-CD2 3.19Å; F170-H174 PolarHBondContact O-N 3.41Å; L171-H174 CarbonylContact O-C 3.57Å; L171-H174 VanDerWaalsContact O-C 3.26Å; H174-Q176 PolarHBondContact O-N 3.05Å; H174-L177 HydrophobicContact CB-CD1 4.32Å; H174-L177 HydrophobicContact CB-CG 4.39Å; H174-L177 PolarHBondContact O-N 3.38Å; H174-L177 VanDerWaalsContact O-N 3.12Å
175	P	92.7	Very high	93.6	Very high	40 Å²	40	40.9 Å²	40.9	26%	0.26	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-61.8	-19.8	-176.5	-21.8	33.6	0	0	0	114.1	L171 I172 A173 L177 C178 K227	L171-P175 WeakPolarHBondContact O-CA 3.47Å; I172-P175 WeakPolarHBondContact O-CG 3.28Å; A173-P175 VanDerWaalsContact C-CD 3.45Å; A173-P175 WeakPolarHBondContact O-CD 3.31Å; P175-L177 PolarHBondContact O-N 3.28Å; P175-C178 WeakPolarHBondContact O-CB 3.4Å; P175-C178 PolarHBondContact O-N 2.88Å; P175-K227 HydrophobicContact CB-CB 3.96Å; P175-K227 WeakPolarHBondContact O-CG 3.43Å
176	Q	91.4	Very high	93.7	Very high	63 Å²	63	34.3 Å²	34.3	29%	0.294	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-61	-24.9	176.8	65.8	-86.6	22.5	0	0	113.4	N151 H174 C178 C179	N151-Q176 WeakPolarHBondContact OD1-CG 3.49Å; H174-Q176 PolarHBondContact O-N 3.05Å; Q176-C178 PolarHBondContact O-N 3.44Å; Q176-C179 PolarHBondContact O-SG 2.89Å; Q176-C179 VanDerWaalsContact O-SG 3.34Å
177	L	93.3	Very high	93.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-74.2	-12	175.6	-65.3	-176.4	0	0	0	113.4	N151 V154 A155 F158 F170 L171 H174 P175 C179 A182	N151-L177 HydrophobicContact CB-CD2 4.22Å; V154-L177 HydrophobicContact CG1-CD1 4Å; V154-L177 HydrophobicContact CG1-CG 4.49Å; A155-L177 HydrophobicContact CB-CD2 3.96Å; F158-L177 HydrophobicContact CB-CD1 3.91Å; F158-L177 HydrophobicContact CG-CD1 4.33Å; F170-L177 HydrophobicContact CD1-CD1 4.27Å; F170-L177 HydrophobicContact CE1-CD1 3.72Å; L171-L177 HydrophobicContact CD2-CB 3.99Å; H174-L177 HydrophobicContact CB-CD1 4.32Å; H174-L177 HydrophobicContact CB-CG 4.39Å; H174-L177 PolarHBondContact O-N 3.38Å; H174-L177 VanDerWaalsContact O-N 3.12Å; P175-L177 PolarHBondContact O-N 3.28Å; L177-C179 PolarHBondContact O-N 2.98Å; L177-A182 HydrophobicContact CB-CB 4.31Å; L177-A182 HydrophobicContact CD2-CB 4.16Å; L177-A182 WeakPolarHBondContact O-CB 3.16Å
178	C	92.2	Very high	93.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-81.7	56.4	177.4	-58.2	0	0	0	0	110.9	P175 Q176 L215 P226 K227	P175-C178 WeakPolarHBondContact O-CB 3.4Å; P175-C178 PolarHBondContact O-N 2.88Å; Q176-C178 PolarHBondContact O-N 3.44Å; C178-L215 HydrophobicContact CB-CD2 3.97Å; C178-L215 VanDerWaalsContact SG-CD2 3.55Å; C178-P226 HydrophobicContact CB-CB 4.29Å; C178-P226 WeakPolarHBondContact O-CG 3.46Å; C178-K227 HydrophobicContact CB-CG 4.33Å
179	C	91.7	Very high	93.7	Very high	14 Å²	14	35.4 Å²	35.4	10%	0.095	20%	0.195	C	C	.	.	S	Bend	trans	-141.3	165.5	178.5	68.8	0	0	0	0	112	F147 Q176 L177 E181 A182 A183	F147-C179 WeakPolarHBondContact CZ-SG 3.44Å; Q176-C179 PolarHBondContact O-SG 2.89Å; Q176-C179 VanDerWaalsContact O-SG 3.34Å; L177-C179 PolarHBondContact O-N 2.98Å; C179-E181 VanDerWaalsContact C-N 3.29Å; C179-E181 WeakPolarHBondContact CB-OE2 3.48Å; C179-E181 PolarHBondContact O-N 2.97Å; C179-E181 PolarHBondContact SG-OE2 3.5Å; C179-A182 PolarHBondContact O-N 3.15Å; C179-A182 PolarHBondContact SG-N 3.24Å; C179-A182 VanDerWaalsContact SG-N 3.43Å; C179-A183 PolarHBondContact O-N 3.2Å
180	S	92.3	Very high	93.7	Very high	48 Å²	48	30.1 Å²	30.1	34%	0.336	17%	0.17	S	C	.	.	H	α-helix	trans	-62.9	-37.5	-179.7	-173.4	0	0	0	0	111.8	A182 A183 N184	S180-A182 VanDerWaalsContact C-N 3.33Å; S180-A182 PolarHBondContact O-N 2.99Å; S180-A183 WeakPolarHBondContact O-CB 3.46Å; S180-A183 PolarHBondContact O-N 2.9Å; S180-A183 VanDerWaalsContact O-N 3.16Å; S180-N184 PolarHBondContact O-N 2.94Å; S180-N184 PolarHBondContact O-ND2 3.44Å
181	E	92.5	Very high	93.7	Very high	32 Å²	32	28.8 Å²	28.8	15%	0.15	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-36.7	-178.2	-63	71.3	-152.2	0	0	111.4	M139 V144 F147 Y148 C179 N184 L185	M139-E181 HydrophobicContact CG-CG 4.48Å; M139-E181 VanDerWaalsContact SD-CD 3.56Å; M139-E181 HydrophobicContact SD-CG 3.66Å; V144-E181 HydrophobicContact CG2-CG 4.24Å; F147-E181 HydrophobicContact CD1-CB 3.65Å; F147-E181 HydrophobicContact CE1-CB 3.78Å; F147-E181 HydrophobicContact CG-CB 4.41Å; Y148-E181 HydrophobicContact CE1-CB 4.2Å; Y148-E181 WeakPolarHBondContact CE1-O 3.5Å; C179-E181 VanDerWaalsContact C-N 3.29Å; C179-E181 WeakPolarHBondContact CB-OE2 3.48Å; C179-E181 PolarHBondContact O-N 2.97Å; C179-E181 PolarHBondContact SG-OE2 3.5Å; E181-N184 WeakPolarHBondContact O-CB 3.49Å; E181-N184 PolarHBondContact O-N 3.47Å; E181-L185 WeakPolarHBondContact O-CB 3.18Å; E181-L185 PolarHBondContact O-N 3.47Å
182	A	93.7	Very high	93.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-40.9	173.5	0	0	0	0	0	111.8	F147 L177 C179 S180 N184 L185 L186 I212	F147-A182 HydrophobicContact CE1-CB 4.11Å; F147-A182 HydrophobicContact CZ-CB 4.05Å; L177-A182 HydrophobicContact CB-CB 4.31Å; L177-A182 HydrophobicContact CD2-CB 4.16Å; L177-A182 WeakPolarHBondContact O-CB 3.16Å; C179-A182 PolarHBondContact O-N 3.15Å; C179-A182 PolarHBondContact SG-N 3.24Å; C179-A182 VanDerWaalsContact SG-N 3.43Å; S180-A182 VanDerWaalsContact C-N 3.33Å; S180-A182 PolarHBondContact O-N 2.99Å; A182-N184 VanDerWaalsContact C-N 3.32Å; A182-N184 PolarHBondContact O-N 3.02Å; A182-L185 PolarHBondContact O-N 3.19Å; A182-L186 WeakPolarHBondContact O-CG 3.32Å; A182-L186 PolarHBondContact O-N 3.22Å; A182-I212 HydrophobicContact CB-CD1 4.31Å
183	A	94.4	Very high	93.7	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-38.6	174.1	0	0	0	0	0	111.8	C179 S180 T187 T209 I212 N213	C179-A183 PolarHBondContact O-N 3.2Å; S180-A183 WeakPolarHBondContact O-CB 3.46Å; S180-A183 PolarHBondContact O-N 2.9Å; S180-A183 VanDerWaalsContact O-N 3.16Å; A183-T187 WeakPolarHBondContact O-CB 3.32Å; A183-T187 PolarHBondContact O-N 3.3Å; A183-T187 PolarHBondContact O-OG1 2.92Å; A183-T209 HydrophobicContact CB-CG2 4.42Å; A183-I212 HydrophobicContact CB-CB 4.44Å; A183-I212 HydrophobicContact CB-CG2 4.01Å; A183-N213 WeakPolarHBondContact CB-OD1 3.47Å
184	N	93.6	Very high	93.6	Very high	76 Å²	76	29.5 Å²	29.5	41%	0.406	16%	0.157	S	C	.	.	H	α-helix	trans	-64.1	-44.2	173.8	-69.5	-27.8	0	0	0	111.9	S180 E181 A182 L186 T187 L188	S180-N184 PolarHBondContact O-N 2.94Å; S180-N184 PolarHBondContact O-ND2 3.44Å; E181-N184 WeakPolarHBondContact O-CB 3.49Å; E181-N184 PolarHBondContact O-N 3.47Å; A182-N184 VanDerWaalsContact C-N 3.32Å; A182-N184 PolarHBondContact O-N 3.02Å; N184-L186 PolarHBondContact O-N 3.15Å; N184-T187 WeakPolarHBondContact O-CB 3.31Å; N184-T187 PolarHBondContact O-N 3.04Å; N184-L188 WeakPolarHBondContact O-CG 3.49Å; N184-L188 PolarHBondContact O-N 3.17Å
185	L	93.7	Very high	93.6	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-48.5	177	-169.2	165.4	0	0	0	111	Y148 A155 E181 A182 T187 L188 Q189	Y148-L185 HydrophobicContact CD1-CB 4.17Å; Y148-L185 HydrophobicContact CD1-CD1 3.79Å; Y148-L185 HydrophobicContact CD1-CG 4.26Å; Y148-L185 HydrophobicContact CE1-CB 4.02Å; Y148-L185 HydrophobicContact CE1-CD1 4.47Å; Y148-L185 HydrophobicContact CG-CD1 4.34Å; A155-L185 HydrophobicContact CB-CD1 4.22Å; A155-L185 HydrophobicContact CB-CD2 3.64Å; A155-L185 HydrophobicContact CB-CG 4.48Å; E181-L185 WeakPolarHBondContact O-CB 3.18Å; E181-L185 PolarHBondContact O-N 3.47Å; A182-L185 PolarHBondContact O-N 3.19Å; L185-T187 VanDerWaalsContact C-N 3.31Å; L185-T187 PolarHBondContact O-N 3.4Å; L185-L188 WeakPolarHBondContact O-CB 3.47Å; L185-L188 PolarHBondContact O-N 2.81Å; L185-Q189 HydrophobicContact CD2-CG 4.12Å; L185-Q189 PolarHBondContact O-N 3.23Å
186	L	95.1	Very high	93.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-38.4	175.7	-68.1	175.2	0	0	0	112.2	A155 F158 A182 N184 L188 Q189 C190 V205 T209 I212	A155-L186 HydrophobicContact CB-CD2 4.25Å; A155-L186 VanDerWaalsContact O-CD2 3.24Å; A155-L186 WeakPolarHBondContact O-CD2 3.49Å; F158-L186 HydrophobicContact CD1-CD1 3.96Å; F158-L186 HydrophobicContact CE1-CD1 4.2Å; A182-L186 WeakPolarHBondContact O-CG 3.32Å; A182-L186 PolarHBondContact O-N 3.22Å; N184-L186 PolarHBondContact O-N 3.15Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 2.86Å; L186-Q189 WeakPolarHBondContact O-CB 3.13Å; L186-Q189 PolarHBondContact O-N 3.48Å; L186-C190 PolarHBondContact O-N 3.47Å; L186-C190 PolarHBondContact O-SG 2.93Å; L186-V205 HydrophobicContact CB-CG1 4.4Å; L186-V205 HydrophobicContact CD2-CG1 4.05Å; L186-T209 HydrophobicContact CB-CG2 4.34Å; L186-T209 VanDerWaalsContact CB-OG1 3.28Å; L186-T209 WeakPolarHBondContact CB-OG1 3.43Å; L186-I212 HydrophobicContact CD1-CD1 3.58Å
187	T	94.9	Very high	93.6	Very high	30 Å²	30	33.7 Å²	33.7	18%	0.184	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-38.2	176.3	-56.9	0	0	0	0	111.7	A183 N184 L185 C190 L191 T209	A183-T187 WeakPolarHBondContact O-CB 3.32Å; A183-T187 PolarHBondContact O-N 3.3Å; A183-T187 PolarHBondContact O-OG1 2.92Å; N184-T187 WeakPolarHBondContact O-CB 3.31Å; N184-T187 PolarHBondContact O-N 3.04Å; L185-T187 VanDerWaalsContact C-N 3.31Å; L185-T187 PolarHBondContact O-N 3.4Å; T187-C190 WeakPolarHBondContact O-CB 3.32Å; T187-C190 PolarHBondContact O-N 2.89Å; T187-L191 PolarHBondContact O-N 3.43Å; T187-T209 WeakPolarHBondContact OG1-CG2 3.42Å
188	L	93.7	Very high	93.7	Very high	69 Å²	69	38.5 Å²	38.5	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-40	173.8	-69.2	168.4	0	0	0	111.6	Y148 N184 L185 L186 C190 L191 N192	Y148-L188 HydrophobicContact CE2-CD1 4.36Å; N184-L188 WeakPolarHBondContact O-CG 3.49Å; N184-L188 PolarHBondContact O-N 3.17Å; L185-L188 WeakPolarHBondContact O-CB 3.47Å; L185-L188 PolarHBondContact O-N 2.81Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 2.86Å; L188-C190 VanDerWaalsContact C-N 3.34Å; L188-C190 PolarHBondContact O-N 3.33Å; L188-L191 WeakPolarHBondContact O-CB 3.35Å; L188-L191 PolarHBondContact O-N 3.5Å; L188-N192 PolarHBondContact O-N 3.2Å
189	Q	93.7	Very high	93.7	Very high	29 Å²	29	41.4 Å²	41.4	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-42.5	173	-71.2	179.5	-10.7	0	0	111.7	L185 L186 L191 N192 Y193	L185-Q189 HydrophobicContact CD2-CG 4.12Å; L185-Q189 PolarHBondContact O-N 3.23Å; L186-Q189 WeakPolarHBondContact O-CB 3.13Å; L186-Q189 PolarHBondContact O-N 3.48Å; Q189-L191 VanDerWaalsContact C-N 3.29Å; Q189-L191 PolarHBondContact O-N 3.29Å; Q189-N192 PolarHBondContact O-N 3Å; Q189-Y193 HydrophobicContact CB-CE2 4.43Å; Q189-Y193 VanDerWaalsContact O-CD2 3.27Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.4Å; Q189-Y193 PolarHBondContact O-N 3.39Å
190	C	95.6	Very high	93.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-41.8	174.6	-65.8	0	0	0	0	112	L186 T187 L188 Y193 E194 M202 V205 A206 I261	L186-C190 PolarHBondContact O-N 3.47Å; L186-C190 PolarHBondContact O-SG 2.93Å; T187-C190 WeakPolarHBondContact O-CB 3.32Å; T187-C190 PolarHBondContact O-N 2.89Å; L188-C190 VanDerWaalsContact C-N 3.34Å; L188-C190 PolarHBondContact O-N 3.33Å; C190-Y193 PolarHBondContact O-N 3.08Å; C190-E194 PolarHBondContact O-N 3.21Å; C190-M202 HydrophobicContact CB-CG 3.98Å; C190-M202 VanDerWaalsContact O-CG 3.26Å; C190-M202 WeakPolarHBondContact O-CG 3.45Å; C190-V205 VanDerWaalsContact SG-CG1 3.55Å; C190-A206 PolarHBondContact SG-N 3.05Å; C190-A206 VanDerWaalsContact SG-N 3.41Å; C190-I261 HydrophobicContact CB-CD1 3.59Å; C190-I261 HydrophobicContact CB-CG1 4.38Å; C190-I261 HydrophobicContact CB-CG2 4.38Å
191	L	94.5	Very high	93.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-42.4	176	-176.7	66.9	0	0	0	112	T187 L188 Q189 E194 L195 R264 A265 K268	T187-L191 PolarHBondContact O-N 3.43Å; L188-L191 WeakPolarHBondContact O-CB 3.35Å; L188-L191 PolarHBondContact O-N 3.5Å; Q189-L191 VanDerWaalsContact C-N 3.29Å; Q189-L191 PolarHBondContact O-N 3.29Å; L191-E194 PolarHBondContact O-N 2.94Å; L191-L195 HydrophobicContact CG-CD1 4.44Å; L191-L195 WeakPolarHBondContact O-CG 3.4Å; L191-L195 PolarHBondContact O-N 2.93Å; L191-R264 HydrophobicContact CD1-CB 4.11Å; L191-R264 HydrophobicContact CD1-CG 4.06Å; L191-R264 HydrophobicContact CD2-CG 4.48Å; L191-A265 HydrophobicContact CD1-CB 3.97Å; L191-K268 HydrophobicContact CD2-CD 3.98Å; L191-K268 VanDerWaalsContact CD2-NZ 3.32Å
192	N	94	Very high	93.9	Very high	81 Å²	81	47.8 Å²	47.8	43%	0.433	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-42.5	176.5	-68.2	-16.4	0	0	0	111.6	L188 Q189 E194 L195 E196	L188-N192 PolarHBondContact O-N 3.2Å; Q189-N192 PolarHBondContact O-N 3Å; N192-E194 VanDerWaalsContact C-N 3.31Å; N192-E194 PolarHBondContact O-N 3.43Å; N192-L195 PolarHBondContact O-N 2.91Å; N192-E196 WeakPolarHBondContact O-CG 3.41Å; N192-E196 PolarHBondContact O-N 3.3Å
193	Y	95.1	Very high	94	Very high	29 Å²	29	49 Å²	49	11%	0.114	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-35.7	176	-69.7	-42.5	0	0	0	113.1	Q189 C190 E196 G197 K198 L201 V205	Q189-Y193 HydrophobicContact CB-CE2 4.43Å; Q189-Y193 VanDerWaalsContact O-CD2 3.27Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.4Å; Q189-Y193 PolarHBondContact O-N 3.39Å; C190-Y193 PolarHBondContact O-N 3.08Å; Y193-E196 PolarHBondContact O-N 3.07Å; Y193-G197 PolarHBondContact O-N 3.36Å; Y193-K198 HydrophobicContact CD1-CD 4.13Å; Y193-K198 WeakPolarHBondContact O-CA 3.43Å; Y193-K198 PolarHBondContact O-N 3.34Å; Y193-L201 HydrophobicContact CD1-CD2 3.67Å; Y193-L201 HydrophobicContact CD1-CG 4.35Å; Y193-L201 HydrophobicContact CD2-CD2 4.14Å; Y193-L201 HydrophobicContact CD2-CG 4.01Å; Y193-L201 HydrophobicContact CE1-CD2 3.44Å; Y193-L201 VanDerWaalsContact CE1-CD2 3.44Å; Y193-L201 HydrophobicContact CE1-CG 4.34Å; Y193-L201 HydrophobicContact CE2-CD2 3.94Å; Y193-L201 HydrophobicContact CE2-CG 4Å; Y193-L201 HydrophobicContact CG-CD2 4.02Å; Y193-L201 HydrophobicContact CG-CG 4.2Å; Y193-V205 HydrophobicContact CD2-CG2 4.2Å; Y193-V205 HydrophobicContact CE2-CG2 3.85Å
194	E	94.2	Very high	93.9	Very high	37 Å²	37	51.5 Å²	51.5	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-39.8	174.3	-170.4	61.6	-169.4	0	0	111.8	C190 L191 N192 E196 G197 T199 M202 I261 K262 A265	C190-E194 PolarHBondContact O-N 3.21Å; L191-E194 PolarHBondContact O-N 2.94Å; N192-E194 VanDerWaalsContact C-N 3.31Å; N192-E194 PolarHBondContact O-N 3.43Å; E194-E196 VanDerWaalsContact C-N 3.3Å; E194-E196 PolarHBondContact O-N 3.16Å; E194-G197 PolarHBondContact O-N 3.49Å; E194-G197 VanDerWaalsContact O-N 3.07Å; E194-T199 PolarHBondContact OE2-OG1 3.41Å; E194-M202 HydrophobicContact CB-CG 4.29Å; E194-M202 VanDerWaalsContact OE2-CE 3.27Å; E194-M202 WeakPolarHBondContact OE2-CE 3.36Å; E194-I261 HydrophobicContact CB-CG2 4.08Å; E194-K262 HydrophobicContact CG-CG 4.47Å; E194-A265 HydrophobicContact CB-CB 3.96Å; E194-A265 HydrophobicContact CG-CB 3.45Å; E194-A265 VanDerWaalsContact CG-CB 3.45Å
195	L	92.9	Very high	94	Very high	74 Å²	74	48 Å²	48	39%	0.387	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-32.8	174.2	-69.6	172.1	0	0	0	112.7	L191 N192 G197 A265 K268	L191-L195 HydrophobicContact CG-CD1 4.44Å; L191-L195 WeakPolarHBondContact O-CG 3.4Å; L191-L195 PolarHBondContact O-N 2.93Å; N192-L195 PolarHBondContact O-N 2.91Å; L195-G197 PolarHBondContact O-N 3.47Å; L195-A265 HydrophobicContact CD2-CB 4.19Å; L195-K268 HydrophobicContact CD1-CD 4.3Å; L195-K268 HydrophobicContact CD2-CB 4.32Å
196	E	93.4	Very high	94.1	Very high	113 Å²	113	47.4 Å²	47.4	53%	0.528	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.9	173	-70.4	176.6	-167.7	0	0	113.6	N192 Y193 E194 K198	N192-E196 WeakPolarHBondContact O-CG 3.41Å; N192-E196 PolarHBondContact O-N 3.3Å; Y193-E196 PolarHBondContact O-N 3.07Å; E194-E196 VanDerWaalsContact C-N 3.3Å; E194-E196 PolarHBondContact O-N 3.16Å; E196-K198 VanDerWaalsContact C-N 3.34Å; E196-K198 HydrophobicContact CB-CD 4.41Å; E196-K198 HydrophobicContact CB-CG 4.35Å; E196-K198 WeakPolarHBondContact OE2-CD 3.42Å; E196-K198 WeakPolarHBondContact OE2-CE 3.34Å; E196-K198 IonicContact OE2-NZ 2.8Å; E196-K198 PolarHBondContact OE2-NZ 2.94Å
197	G	91.3	Very high	94.1	Very high	57 Å²	57	49.3 Å²	49.3	59%	0.588	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	13.4	-176.7	0	0	0	0	0	114.9	Y193 E194 L195 T199	Y193-G197 PolarHBondContact O-N 3.36Å; E194-G197 PolarHBondContact O-N 3.49Å; E194-G197 VanDerWaalsContact O-N 3.07Å; L195-G197 PolarHBondContact O-N 3.47Å; G197-T199 PolarHBondContact O-N 3.01Å
198	K	94.2	Very high	94.1	Very high	103 Å²	103	47.9 Å²	47.9	45%	0.448	25%	0.25	S	C	.	.			trans	-90.8	62	179	-63.7	175.8	-175.7	157.8	0	111.6	Y193 E196 E200 L201 M202	Y193-K198 HydrophobicContact CD1-CD 4.13Å; Y193-K198 WeakPolarHBondContact O-CA 3.43Å; Y193-K198 PolarHBondContact O-N 3.34Å; E196-K198 VanDerWaalsContact C-N 3.34Å; E196-K198 HydrophobicContact CB-CD 4.41Å; E196-K198 HydrophobicContact CB-CG 4.35Å; E196-K198 WeakPolarHBondContact OE2-CD 3.42Å; E196-K198 WeakPolarHBondContact OE2-CE 3.34Å; E196-K198 IonicContact OE2-NZ 2.8Å; E196-K198 PolarHBondContact OE2-NZ 2.94Å; K198-E200 VanDerWaalsContact C-N 3.34Å; K198-E200 PolarHBondContact O-N 3.43Å; K198-L201 HydrophobicContact CB-CB 4.11Å; K198-L201 HydrophobicContact CD-CD2 4.2Å; K198-L201 PolarHBondContact O-N 3.02Å; K198-M202 PolarHBondContact O-N 2.99Å
199	T	93	Very high	94.2	Very high	60 Å²	60	44.6 Å²	44.6	37%	0.368	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-35.3	-173.7	-52.7	0	0	0	0	113.8	E194 G197 M202 S203	E194-T199 PolarHBondContact OE2-OG1 3.41Å; G197-T199 PolarHBondContact O-N 3.01Å; T199-M202 HydrophobicContact CG2-CE 3.97Å; T199-M202 PolarHBondContact O-N 3.3Å; T199-S203 WeakPolarHBondContact O-CB 3.08Å; T199-S203 PolarHBondContact O-N 2.96Å
200	E	93	Very high	94.2	Very high	180 Å²	180	43.4 Å²	43.4	84%	0.841	23%	0.227	S	C	*	.	H	α-helix	trans	-64.5	-43.4	176.5	-67.1	-173.9	171.6	0	0	111.7	K198 S203 H204	K198-E200 VanDerWaalsContact C-N 3.34Å; K198-E200 PolarHBondContact O-N 3.43Å; E200-S203 WeakPolarHBondContact O-CB 3.36Å; E200-S203 PolarHBondContact O-N 3.18Å; E200-H204 PolarHBondContact O-N 2.99Å
201	L	93.5	Very high	94.1	Very high	47 Å²	47	43.5 Å²	43.5	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-41	177.8	-170.9	61	0	0	0	111.1	M160 Y193 K198 S203 H204 V205	M160-L201 HydrophobicContact CE-CD1 4.04Å; M160-L201 HydrophobicContact SD-CD1 3.72Å; Y193-L201 HydrophobicContact CD1-CD2 3.67Å; Y193-L201 HydrophobicContact CD1-CG 4.35Å; Y193-L201 HydrophobicContact CD2-CD2 4.14Å; Y193-L201 HydrophobicContact CD2-CG 4.01Å; Y193-L201 HydrophobicContact CE1-CD2 3.44Å; Y193-L201 VanDerWaalsContact CE1-CD2 3.44Å; Y193-L201 HydrophobicContact CE1-CG 4.34Å; Y193-L201 HydrophobicContact CE2-CD2 3.94Å; Y193-L201 HydrophobicContact CE2-CG 4Å; Y193-L201 HydrophobicContact CG-CD2 4.02Å; Y193-L201 HydrophobicContact CG-CG 4.2Å; K198-L201 HydrophobicContact CB-CB 4.11Å; K198-L201 HydrophobicContact CD-CD2 4.2Å; K198-L201 PolarHBondContact O-N 3.02Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 3.16Å; L201-H204 WeakPolarHBondContact O-CB 3.44Å; L201-H204 PolarHBondContact O-N 3.44Å; L201-H204 VanDerWaalsContact O-N 3.17Å; L201-V205 WeakPolarHBondContact O-CG2 3.44Å; L201-V205 PolarHBondContact O-N 3.39Å
202	M	95	Very high	94.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-55.7	-47.8	171.8	177.6	-81.4	-70.5	0	0	111.2	C190 E194 K198 T199 H204 V205 A206 K258 I261 K262	C190-M202 HydrophobicContact CB-CG 3.98Å; C190-M202 VanDerWaalsContact O-CG 3.26Å; C190-M202 WeakPolarHBondContact O-CG 3.45Å; E194-M202 HydrophobicContact CB-CG 4.29Å; E194-M202 VanDerWaalsContact OE2-CE 3.27Å; E194-M202 WeakPolarHBondContact OE2-CE 3.36Å; K198-M202 PolarHBondContact O-N 2.99Å; T199-M202 HydrophobicContact CG2-CE 3.97Å; T199-M202 PolarHBondContact O-N 3.3Å; M202-H204 VanDerWaalsContact C-N 3.28Å; M202-H204 PolarHBondContact O-N 2.83Å; M202-V205 PolarHBondContact O-N 2.96Å; M202-A206 WeakPolarHBondContact O-CB 3.49Å; M202-A206 PolarHBondContact O-N 2.94Å; M202-A206 HydrophobicContact SD-CB 4.49Å; M202-K258 HydrophobicContact CE-CB 4.43Å; M202-K258 HydrophobicContact CE-CG 4.42Å; M202-K258 HydrophobicContact SD-CB 4.41Å; M202-K258 HydrophobicContact SD-CG 3.99Å; M202-I261 HydrophobicContact CG-CG2 4.02Å; M202-I261 HydrophobicContact SD-CB 4.44Å; M202-I261 HydrophobicContact SD-CD1 4.18Å; M202-I261 HydrophobicContact SD-CG2 4.2Å; M202-K262 HydrophobicContact CE-CG 4.17Å
203	S	94.4	Very high	94.1	Very high	26 Å²	26	42.3 Å²	42.3	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-39	177.9	-175.2	0	0	0	0	111.9	T199 E200 L201 Y207 W254 K258	T199-S203 WeakPolarHBondContact O-CB 3.08Å; T199-S203 PolarHBondContact O-N 2.96Å; E200-S203 WeakPolarHBondContact O-CB 3.36Å; E200-S203 PolarHBondContact O-N 3.18Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 3.16Å; S203-Y207 PolarHBondContact O-N 3.34Å; S203-W254 WeakPolarHBondContact O-CZ2 3.44Å; S203-W254 PolarHBondContact O-NE1 3.45Å; S203-W254 VanDerWaalsContact OG-CZ2 3.24Å; S203-W254 WeakPolarHBondContact OG-CZ2 3.43Å; S203-K258 VanDerWaalsContact OG-CD 3.25Å; S203-K258 WeakPolarHBondContact OG-CD 3.29Å
204	H	94.2	Very high	94	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.255	23%	0.227	S	C	.	.	H	α-helix	trans	-66.8	-48.7	178.4	-171.5	91.2	0	0	0	112.5	G159 M160 L161 E200 L201 M202 A206 Y207	G159-H204 PolarHBondContact O-CD2 3.47Å; M160-H204 PolarHBondContact O-NE2 3.4Å; L161-H204 PolarHBondContact O-NE2 2.99Å; L161-H204 VanDerWaalsContact O-NE2 3.07Å; E200-H204 PolarHBondContact O-N 2.99Å; L201-H204 WeakPolarHBondContact O-CB 3.44Å; L201-H204 PolarHBondContact O-N 3.44Å; L201-H204 VanDerWaalsContact O-N 3.17Å; M202-H204 VanDerWaalsContact C-N 3.28Å; M202-H204 PolarHBondContact O-N 2.83Å; H204-A206 VanDerWaalsContact C-N 3.34Å; H204-A206 PolarHBondContact O-N 2.93Å; H204-Y207 WeakPolarHBondContact O-CB 3.35Å; H204-Y207 PolarHBondContact O-N 3.26Å
205	V	95.4	Very high	94	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-66.3	-38.6	177.6	-178.9	0	0	0	0	111.1	L186 C190 Y193 L201 M202 Y207 Q208 T209	L186-V205 HydrophobicContact CB-CG1 4.4Å; L186-V205 HydrophobicContact CD2-CG1 4.05Å; C190-V205 VanDerWaalsContact SG-CG1 3.55Å; Y193-V205 HydrophobicContact CD2-CG2 4.2Å; Y193-V205 HydrophobicContact CE2-CG2 3.85Å; L201-V205 WeakPolarHBondContact O-CG2 3.44Å; L201-V205 PolarHBondContact O-N 3.39Å; M202-V205 PolarHBondContact O-N 2.96Å; V205-Y207 PolarHBondContact O-N 2.95Å; V205-Y207 VanDerWaalsContact O-N 3.16Å; V205-Q208 PolarHBondContact O-N 3.49Å; V205-T209 PolarHBondContact O-N 3.23Å; V205-T209 PolarHBondContact O-OG1 3.34Å
206	A	95.5	Very high	94	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-32.5	176.5	0	0	0	0	0	112.5	C190 M202 H204 T209 I210 L257 K258 I261	C190-A206 PolarHBondContact SG-N 3.05Å; C190-A206 VanDerWaalsContact SG-N 3.41Å; M202-A206 WeakPolarHBondContact O-CB 3.49Å; M202-A206 PolarHBondContact O-N 2.94Å; M202-A206 HydrophobicContact SD-CB 4.49Å; H204-A206 VanDerWaalsContact C-N 3.34Å; H204-A206 PolarHBondContact O-N 2.93Å; A206-T209 WeakPolarHBondContact O-CB 3.48Å; A206-T209 PolarHBondContact O-N 3.44Å; A206-I210 WeakPolarHBondContact O-CG1 3.42Å; A206-I210 PolarHBondContact O-N 3.3Å; A206-I210 VanDerWaalsContact O-N 3.14Å; A206-L257 HydrophobicContact CB-CD2 4.07Å; A206-K258 HydrophobicContact CB-CG 4.27Å; A206-I261 HydrophobicContact CB-CD1 4.41Å
207	Y	94.9	Very high	93.8	Very high	41 Å²	41	39.6 Å²	39.6	16%	0.161	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-43.2	175.7	-178	-92.9	0	0	0	111.9	S203 H204 V205 T209 I210 I211 F250 W254	S203-Y207 PolarHBondContact O-N 3.34Å; H204-Y207 WeakPolarHBondContact O-CB 3.35Å; H204-Y207 PolarHBondContact O-N 3.26Å; V205-Y207 PolarHBondContact O-N 2.95Å; V205-Y207 VanDerWaalsContact O-N 3.16Å; Y207-T209 VanDerWaalsContact C-N 3.33Å; Y207-I210 PolarHBondContact O-N 3.28Å; Y207-I211 HydrophobicContact CD1-CD1 3.82Å; Y207-I211 HydrophobicContact CE1-CD1 3.47Å; Y207-I211 VanDerWaalsContact CE1-CD1 3.47Å; Y207-I211 HydrophobicContact CE1-CG1 4.31Å; Y207-I211 PolarHBondContact O-N 2.71Å; Y207-F250 AromaticContact CD2-CE1 3.49Å; Y207-F250 HydrophobicContact CD2-CE1 3.49Å; Y207-F250 VanDerWaalsContact CD2-CE1 3.49Å; Y207-F250 HydrophobicContact CD2-CZ 4.08Å; Y207-F250 HydrophobicContact CE2-CD1 4.05Å; Y207-F250 AromaticContact CE2-CE1 3.2Å; Y207-F250 HydrophobicContact CE2-CE1 3.2Å; Y207-F250 AromaticContact CE2-CZ 3.82Å; Y207-F250 HydrophobicContact CE2-CZ 3.82Å; Y207-F250 HydrophobicContact CG-CE1 4.36Å; Y207-F250 AromaticContact CZ-CE1 3.87Å; Y207-W254 HydrophobicContact CD2-CD2 4.11Å; Y207-W254 HydrophobicContact CD2-CE3 4.29Å; Y207-W254 HydrophobicContact CD2-CZ2 4.39Å
208	Q	94.8	Very high	93.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68.5	-33.7	177.2	-65.5	-62.5	-22.6	0	0	111.8	F158 L161 S167 V205 I210 I211 I212	F158-Q208 HydrophobicContact CD1-CB 4.06Å; F158-Q208 HydrophobicContact CE1-CB 3.68Å; F158-Q208 HydrophobicContact CE1-CG 4.42Å; F158-Q208 HydrophobicContact CZ-CB 4.32Å; F158-Q208 WeakPolarHBondContact O-CG 3.32Å; L161-Q208 PolarHBondContact O-NE2 3.26Å; S167-Q208 PolarHBondContact OG-NE2 3.13Å; S167-Q208 VanDerWaalsContact OG-NE2 3.15Å; S167-Q208 PolarHBondContact OG-OE1 3.45Å; V205-Q208 PolarHBondContact O-N 3.49Å; Q208-I210 VanDerWaalsContact C-N 3.34Å; Q208-I210 PolarHBondContact O-N 2.97Å; Q208-I211 WeakPolarHBondContact O-CB 3.22Å; Q208-I211 PolarHBondContact O-N 3.43Å; Q208-I212 PolarHBondContact O-N 3.13Å
209	T	95.6	Very high	93.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-43.9	171.9	-49.9	0	0	0	0	112	A183 L186 T187 V205 A206 Y207 I211 I212 N213 L257	A183-T209 HydrophobicContact CB-CG2 4.42Å; L186-T209 HydrophobicContact CB-CG2 4.34Å; L186-T209 VanDerWaalsContact CB-OG1 3.28Å; L186-T209 WeakPolarHBondContact CB-OG1 3.43Å; T187-T209 WeakPolarHBondContact OG1-CG2 3.42Å; V205-T209 PolarHBondContact O-N 3.23Å; V205-T209 PolarHBondContact O-OG1 3.34Å; A206-T209 WeakPolarHBondContact O-CB 3.48Å; A206-T209 PolarHBondContact O-N 3.44Å; Y207-T209 VanDerWaalsContact C-N 3.33Å; T209-I211 VanDerWaalsContact C-N 3.33Å; T209-I211 PolarHBondContact O-N 2.93Å; T209-I212 PolarHBondContact O-N 3.39Å; T209-N213 PolarHBondContact O-N 3.43Å; T209-N213 VanDerWaalsContact O-N 3.08Å; T209-N213 PolarHBondContact O-ND2 3.42Å; T209-L257 HydrophobicContact CG2-CD2 4.04Å
210	I	94.1	Very high	93.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-37.4	177.7	-63	-61.4	0	0	0	111.4	A206 Y207 Q208 I212 N213 Y214 F250 E253 W254 L257	A206-I210 WeakPolarHBondContact O-CG1 3.42Å; A206-I210 PolarHBondContact O-N 3.3Å; A206-I210 VanDerWaalsContact O-N 3.14Å; Y207-I210 PolarHBondContact O-N 3.28Å; Q208-I210 VanDerWaalsContact C-N 3.34Å; Q208-I210 PolarHBondContact O-N 2.97Å; I210-I212 VanDerWaalsContact C-N 3.32Å; I210-I212 PolarHBondContact O-N 3.49Å; I210-N213 PolarHBondContact O-N 3.43Å; I210-Y214 HydrophobicContact CG2-CD2 3.71Å; I210-Y214 HydrophobicContact CG2-CE2 3.8Å; I210-Y214 HydrophobicContact CG2-CG 4.5Å; I210-Y214 WeakPolarHBondContact O-CB 3.36Å; I210-Y214 PolarHBondContact O-N 3.39Å; I210-F250 HydrophobicContact CB-CE1 4.45Å; I210-F250 HydrophobicContact CB-CE2 4.2Å; I210-F250 HydrophobicContact CB-CZ 3.86Å; I210-F250 HydrophobicContact CG2-CD2 3.87Å; I210-F250 HydrophobicContact CG2-CE1 4.08Å; I210-F250 HydrophobicContact CG2-CE2 3.42Å; I210-F250 VanDerWaalsContact CG2-CE2 3.42Å; I210-F250 HydrophobicContact CG2-CG 4.41Å; I210-F250 HydrophobicContact CG2-CZ 3.52Å; I210-E253 HydrophobicContact CD1-CB 4.39Å; I210-W254 HydrophobicContact CG1-CB 4.31Å; I210-L257 HydrophobicContact CD1-CB 3.99Å; I210-L257 HydrophobicContact CD1-CD2 3.63Å; I210-L257 HydrophobicContact CD1-CG 4.37Å; I210-L257 HydrophobicContact CG1-CD2 3.9Å
211	I	93.9	Very high	93.3	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-47.7	174.5	-74.4	169.1	0	0	0	111.1	F158 L171 Y207 Q208 T209 L215 F235 F236 F250	F158-I211 HydrophobicContact CZ-CG2 4.26Å; L171-I211 HydrophobicContact CD1-CG2 4.45Å; Y207-I211 HydrophobicContact CD1-CD1 3.82Å; Y207-I211 HydrophobicContact CE1-CD1 3.47Å; Y207-I211 VanDerWaalsContact CE1-CD1 3.47Å; Y207-I211 HydrophobicContact CE1-CG1 4.31Å; Y207-I211 PolarHBondContact O-N 2.71Å; Q208-I211 WeakPolarHBondContact O-CB 3.22Å; Q208-I211 PolarHBondContact O-N 3.43Å; T209-I211 VanDerWaalsContact C-N 3.33Å; T209-I211 PolarHBondContact O-N 2.93Å; I211-L215 WeakPolarHBondContact O-CB 3.29Å; I211-L215 PolarHBondContact O-N 3.46Å; I211-F235 HydrophobicContact CG2-CE1 3.96Å; I211-F235 HydrophobicContact CG2-CZ 4.41Å; I211-F236 HydrophobicContact CG2-CE1 4.28Å; I211-F236 HydrophobicContact CG2-CZ 3.85Å; I211-F250 HydrophobicContact CG1-CE2 4.18Å; I211-F250 HydrophobicContact CG1-CZ 3.97Å
212	I	94.6	Very high	93	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-45.9	178.2	-63.3	-179.2	0	0	0	110.5	F158 A182 A183 L186 Q208 T209 I210 Y214 L215 L216	F158-I212 HydrophobicContact CD1-CD1 3.99Å; F158-I212 HydrophobicContact CE1-CD1 3.59Å; F158-I212 HydrophobicContact CE1-CG1 3.66Å; F158-I212 HydrophobicContact CZ-CD1 4.44Å; F158-I212 HydrophobicContact CZ-CG1 4.14Å; A182-I212 HydrophobicContact CB-CD1 4.31Å; A183-I212 HydrophobicContact CB-CB 4.44Å; A183-I212 HydrophobicContact CB-CG2 4.01Å; L186-I212 HydrophobicContact CD1-CD1 3.58Å; Q208-I212 PolarHBondContact O-N 3.13Å; T209-I212 PolarHBondContact O-N 3.39Å; I210-I212 VanDerWaalsContact C-N 3.32Å; I210-I212 PolarHBondContact O-N 3.49Å; I212-Y214 VanDerWaalsContact C-N 3.35Å; I212-Y214 PolarHBondContact O-N 2.88Å; I212-L215 WeakPolarHBondContact O-CB 3.17Å; I212-L215 PolarHBondContact O-N 3.37Å; I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.27Å; I212-L216 VanDerWaalsContact O-CG 3.29Å; I212-L216 WeakPolarHBondContact O-CG 3.28Å; I212-L216 PolarHBondContact O-N 3.06Å
213	N	93.9	Very high	92.6	Very high	59 Å²	59	47.2 Å²	47.2	32%	0.316	22%	0.215	S	C	.	.	H	α-helix	trans	-58.7	-44.9	179.7	-74.3	-27.3	0	0	0	112.5	A183 T209 I210 L216 E217	A183-N213 WeakPolarHBondContact CB-OD1 3.47Å; T209-N213 PolarHBondContact O-N 3.43Å; T209-N213 VanDerWaalsContact O-N 3.08Å; T209-N213 PolarHBondContact O-ND2 3.42Å; I210-N213 PolarHBondContact O-N 3.43Å; N213-L216 PolarHBondContact O-N 3.4Å; N213-E217 PolarHBondContact O-N 3.25Å
214	Y	92.8	Very high	92.1	Very high	57 Å²	57	47.6 Å²	47.6	22%	0.224	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-38	177.5	-90.9	-128.1	0	0	0	112.2	I210 I212 L216 E217 L218 M249 F250 E253	I210-Y214 HydrophobicContact CG2-CD2 3.71Å; I210-Y214 HydrophobicContact CG2-CE2 3.8Å; I210-Y214 HydrophobicContact CG2-CG 4.5Å; I210-Y214 WeakPolarHBondContact O-CB 3.36Å; I210-Y214 PolarHBondContact O-N 3.39Å; I212-Y214 VanDerWaalsContact C-N 3.35Å; I212-Y214 PolarHBondContact O-N 2.88Å; Y214-L216 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 3.12Å; Y214-E217 PolarHBondContact O-N 3.04Å; Y214-L218 WeakPolarHBondContact O-CB 3.43Å; Y214-L218 PolarHBondContact O-N 3.37Å; Y214-M249 PolarHBondContact OH-O 3.47Å; Y214-F250 HydrophobicContact CD1-CD2 4.12Å; Y214-F250 HydrophobicContact CE1-CD2 4.07Å; Y214-F250 HydrophobicContact CG-CD2 4.45Å; Y214-E253 HydrophobicContact CE2-CB 4.24Å; Y214-E253 HydrophobicContact CE2-CG 4.1Å; Y214-E253 WeakPolarHBondContact OH-CG 3.47Å
215	L	93.1	Very high	91.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-43.5	173.8	177.5	69.1	0	0	0	111	L171 C178 I211 I212 L218 A219 I232 F235	L171-L215 HydrophobicContact CD1-CD2 4.45Å; C178-L215 HydrophobicContact CB-CD2 3.97Å; C178-L215 VanDerWaalsContact SG-CD2 3.55Å; I211-L215 WeakPolarHBondContact O-CB 3.29Å; I211-L215 PolarHBondContact O-N 3.46Å; I212-L215 WeakPolarHBondContact O-CB 3.17Å; I212-L215 PolarHBondContact O-N 3.37Å; L215-L218 PolarHBondContact O-N 2.92Å; L215-A219 WeakPolarHBondContact O-CB 3.3Å; L215-A219 PolarHBondContact O-N 3.4Å; L215-I232 HydrophobicContact CD1-CG1 4.41Å; L215-I232 HydrophobicContact CD2-CG1 4.17Å; L215-F235 HydrophobicContact CB-CD1 4.47Å; L215-F235 HydrophobicContact CB-CD2 4.48Å; L215-F235 HydrophobicContact CB-CG 4.44Å; L215-F235 HydrophobicContact CD1-CB 3.62Å; L215-F235 HydrophobicContact CD1-CD1 4.06Å; L215-F235 HydrophobicContact CD1-CD2 4.32Å; L215-F235 HydrophobicContact CD1-CG 3.72Å
216	L	92.7	Very high	91.5	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-40.2	176.6	-66.6	173.4	0	0	0	111.9	I212 N213 Y214 A219 K220 P226	I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.27Å; I212-L216 VanDerWaalsContact O-CG 3.29Å; I212-L216 WeakPolarHBondContact O-CG 3.28Å; I212-L216 PolarHBondContact O-N 3.06Å; N213-L216 PolarHBondContact O-N 3.4Å; Y214-L216 VanDerWaalsContact C-N 3.33Å; Y214-L216 PolarHBondContact O-N 3.12Å; L216-A219 WeakPolarHBondContact O-CB 3.25Å; L216-A219 PolarHBondContact O-N 2.82Å; L216-K220 WeakPolarHBondContact O-CG 3.49Å; L216-K220 PolarHBondContact O-N 3.44Å; L216-P226 HydrophobicContact CD2-CB 3.79Å; L216-P226 HydrophobicContact CD2-CG 3.97Å
217	E	90.7	Very high	91.2	Very high	127 Å²	127	54.8 Å²	54.8	59%	0.593	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-44.3	175.8	-172	174.5	-174.4	0	0	111.8	N213 Y214 A219 K220 Y221	N213-E217 PolarHBondContact O-N 3.25Å; Y214-E217 PolarHBondContact O-N 3.04Å; E217-A219 VanDerWaalsContact C-N 3.32Å; E217-A219 PolarHBondContact O-N 3.23Å; E217-K220 PolarHBondContact O-N 3.4Å; E217-Y221 PolarHBondContact O-N 3.07Å
218	L	90.4	Very high	91	Very high	34 Å²	34	54.5 Å²	54.5	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-38.3	174.9	-180	140.5	0	0	0	111.8	Y214 L215 Y221 L222 L231 F235 K238	Y214-L218 WeakPolarHBondContact O-CB 3.43Å; Y214-L218 PolarHBondContact O-N 3.37Å; L215-L218 PolarHBondContact O-N 2.92Å; L218-Y221 PolarHBondContact O-N 3.3Å; L218-L222 HydrophobicContact CD2-CD1 3.71Å; L218-L222 HydrophobicContact CG-CD1 4.08Å; L218-L222 WeakPolarHBondContact O-CB 3.22Å; L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 3.02Å; L218-L231 HydrophobicContact CD2-CD1 3.5Å; L218-L231 HydrophobicContact CD2-CD2 4.27Å; L218-L231 HydrophobicContact CD2-CG 3.79Å; L218-F235 HydrophobicContact CD1-CD2 4.27Å; L218-K238 HydrophobicContact CD1-CD 4.39Å
219	A	90.8	Very high	90.8	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.033	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-42.1	175.3	0	0	0	0	0	112.3	L215 L216 E217 L222 K223 A224 P226 L231	L215-A219 WeakPolarHBondContact O-CB 3.3Å; L215-A219 PolarHBondContact O-N 3.4Å; L216-A219 WeakPolarHBondContact O-CB 3.25Å; L216-A219 PolarHBondContact O-N 2.82Å; E217-A219 VanDerWaalsContact C-N 3.32Å; E217-A219 PolarHBondContact O-N 3.23Å; A219-L222 PolarHBondContact O-N 3.15Å; A219-K223 WeakPolarHBondContact O-CA 3.15Å; A219-K223 PolarHBondContact O-N 3.46Å; A219-A224 PolarHBondContact O-N 3.06Å; A219-P226 HydrophobicContact CB-CB 3.69Å; A219-P226 HydrophobicContact CB-CG 4.31Å; A219-L231 HydrophobicContact CB-CD2 3.57Å
220	K	89.4	Confident	90.6	Very high	122 Å²	122	65.7 Å²	65.7	53%	0.53	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-44.4	174.5	-73.4	173.7	-178.3	-175.8	0	111.6	E136 L216 E217 K223	E136-K220 VanDerWaalsContact OE1-CE 3.31Å; E136-K220 WeakPolarHBondContact OE1-CE 3.39Å; E136-K220 IonicContact OE1-NZ 3.75Å; E136-K220 VanDerWaalsContact OE2-CE 3.32Å; E136-K220 WeakPolarHBondContact OE2-CE 3.49Å; E136-K220 IonicContact OE2-NZ 2.73Å; E136-K220 PolarHBondContact OE2-NZ 3Å; L216-K220 WeakPolarHBondContact O-CG 3.49Å; L216-K220 PolarHBondContact O-N 3.44Å; E217-K220 PolarHBondContact O-N 3.4Å; K220-K223 PolarHBondContact O-N 3Å
221	Y	88.8	Confident	90.5	Very high	195 Å²	195	66.1 Å²	66.1	77%	0.765	32%	0.321	S	S	*	.	H	α-helix	trans	-61.6	-44.8	177	-178.8	-98	0	0	0	112.4	E217 L218 K223	E217-Y221 PolarHBondContact O-N 3.07Å; L218-Y221 PolarHBondContact O-N 3.3Å; Y221-K223 VanDerWaalsContact C-N 3.31Å; Y221-K223 PolarHBondContact O-N 3.22Å
222	L	87.8	Confident	90.4	Very high	79 Å²	79	66 Å²	66	41%	0.414	32%	0.321	S	S	.	.	H	α-helix	trans	-82.5	-4.4	-178.9	-67.5	175.7	0	0	0	114.1	L218 A219 A224 L231	L218-L222 HydrophobicContact CD2-CD1 3.71Å; L218-L222 HydrophobicContact CG-CD1 4.08Å; L218-L222 WeakPolarHBondContact O-CB 3.22Å; L218-L222 WeakPolarHBondContact O-CG 3.41Å; L218-L222 PolarHBondContact O-N 3.02Å; A219-L222 PolarHBondContact O-N 3.15Å; L222-A224 HydrophobicContact CB-CB 4.12Å; L222-A224 PolarHBondContact O-N 3.27Å; L222-L231 HydrophobicContact CD1-CD1 3.62Å
223	K	86.4	Confident	90.3	Very high	175 Å²	175	67.6 Å²	67.6	76%	0.761	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	38.8	-171.8	-56.6	179.8	-179.4	178.9	0	111.8	A219 K220 Y221	A219-K223 WeakPolarHBondContact O-CA 3.15Å; A219-K223 PolarHBondContact O-N 3.46Å; K220-K223 PolarHBondContact O-N 3Å; Y221-K223 VanDerWaalsContact C-N 3.31Å; Y221-K223 PolarHBondContact O-N 3.22Å
224	A	84.9	Confident	90.2	Very high	34 Å²	34	67.7 Å²	67.7	28%	0.281	34%	0.337	S	S	.	.			trans	-110.8	157.9	-177.4	0	0	0	0	0	110.3	A219 L222 P226 L231	A219-A224 PolarHBondContact O-N 3.06Å; L222-A224 HydrophobicContact CB-CB 4.12Å; L222-A224 PolarHBondContact O-N 3.27Å; A224-P226 WeakPolarHBondContact O-CD 3.34Å; A224-L231 HydrophobicContact CB-CD1 4Å; A224-L231 HydrophobicContact CB-CD2 4.18Å
225	N	86.4	Confident	90.2	Very high	96 Å²	96	65.4 Å²	65.4	51%	0.513	33%	0.328	S	S	.	.			trans	-72.9	121.1	175.4	-175	-20.9	0	0	0	109.8	K227 S228	N225-K227 PolarHBondContact O-N 2.92Å; N225-K227 VanDerWaalsContact O-N 3.15Å; N225-K227 VanDerWaalsContact OD1-CB 3.32Å; N225-K227 WeakPolarHBondContact OD1-CB 3.43Å; N225-K227 WeakPolarHBondContact OD1-CG 3.41Å; N225-K227 PolarHBondContact OD1-N 3.47Å; N225-S228 WeakPolarHBondContact O-CB 3.25Å; N225-S228 PolarHBondContact O-N 2.84Å; N225-S228 PolarHBondContact O-OG 3.27Å
226	P	89.6	Confident	90.2	Very high	19 Å²	19	65.5 Å²	65.5	12%	0.123	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.2	179.7	24.3	-34	0	0	0	113.3	C178 L216 A219 A224 S228	C178-P226 HydrophobicContact CB-CB 4.29Å; C178-P226 WeakPolarHBondContact O-CG 3.46Å; L216-P226 HydrophobicContact CD2-CB 3.79Å; L216-P226 HydrophobicContact CD2-CG 3.97Å; A219-P226 HydrophobicContact CB-CB 3.69Å; A219-P226 HydrophobicContact CB-CG 4.31Å; A224-P226 WeakPolarHBondContact O-CD 3.34Å; P226-S228 VanDerWaalsContact C-N 3.26Å; P226-S228 PolarHBondContact O-N 3.46Å
227	K	90.7	Very high	90	Very high	92 Å²	92	67.6 Å²	67.6	40%	0.4	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.6	178.8	-51	-171.4	175.7	177.8	0	113.4	P175 C178 N225	P175-K227 HydrophobicContact CB-CB 3.96Å; P175-K227 WeakPolarHBondContact O-CG 3.43Å; C178-K227 HydrophobicContact CB-CG 4.33Å; N225-K227 PolarHBondContact O-N 2.92Å; N225-K227 VanDerWaalsContact O-N 3.15Å; N225-K227 VanDerWaalsContact OD1-CB 3.32Å; N225-K227 WeakPolarHBondContact OD1-CB 3.43Å; N225-K227 WeakPolarHBondContact OD1-CG 3.41Å; N225-K227 PolarHBondContact OD1-N 3.47Å
228	S	89.3	Confident	89.9	Confident	35 Å²	35	66.8 Å²	66.8	25%	0.245	34%	0.339	C	S	.	.			trans	-74.7	132.6	-178.5	82.6	0	0	0	0	111.1	N225 P226 Q230 L231 I232	N225-S228 WeakPolarHBondContact O-CB 3.25Å; N225-S228 PolarHBondContact O-N 2.84Å; N225-S228 PolarHBondContact O-OG 3.27Å; P226-S228 VanDerWaalsContact C-N 3.26Å; P226-S228 PolarHBondContact O-N 3.46Å; S228-Q230 PolarHBondContact O-N 2.95Å; S228-L231 PolarHBondContact O-N 2.99Å; S228-L231 VanDerWaalsContact O-N 3.13Å; S228-L231 WeakPolarHBondContact OG-CB 3.4Å; S228-L231 PolarHBondContact OG-N 3.31Å; S228-I232 WeakPolarHBondContact O-CG1 3.4Å; S228-I232 PolarHBondContact O-N 3.5Å; S228-I232 VanDerWaalsContact O-N 3.13Å
229	P	91.7	Very high	89.7	Confident	76 Å²	76	66.6 Å²	66.6	49%	0.494	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-31	-177.3	24.7	-34.1	0	0	0	112.3	I172 A233	I172-P229 HydrophobicContact CG2-CB 4.3Å; P229-A233 WeakPolarHBondContact O-CB 3.44Å; P229-A233 PolarHBondContact O-N 3.03Å
230	Q	91.1	Very high	89.5	Confident	159 Å²	159	71.1 Å²	71.1	74%	0.743	36%	0.358	S	S	*	.	H	α-helix	trans	-66.2	-41.5	176.5	-67.1	-180	-5.2	0	0	112	S228 T234	S228-Q230 PolarHBondContact O-N 2.95Å; Q230-T234 VanDerWaalsContact O-CB 3.32Å; Q230-T234 WeakPolarHBondContact O-CB 3.45Å; Q230-T234 PolarHBondContact O-N 3.48Å; Q230-T234 PolarHBondContact O-OG1 2.93Å
231	L	91	Very high	89.4	Confident	11 Å²	11	72.2 Å²	72.2	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-67.5	-44.3	177.8	-167.6	75.1	0	0	0	111.2	L218 A219 L222 A224 S228 A233 T234 F235	L218-L231 HydrophobicContact CD2-CD1 3.5Å; L218-L231 HydrophobicContact CD2-CD2 4.27Å; L218-L231 HydrophobicContact CD2-CG 3.79Å; A219-L231 HydrophobicContact CB-CD2 3.57Å; L222-L231 HydrophobicContact CD1-CD1 3.62Å; A224-L231 HydrophobicContact CB-CD1 4Å; A224-L231 HydrophobicContact CB-CD2 4.18Å; S228-L231 PolarHBondContact O-N 2.99Å; S228-L231 VanDerWaalsContact O-N 3.13Å; S228-L231 WeakPolarHBondContact OG-CB 3.4Å; S228-L231 PolarHBondContact OG-N 3.31Å; L231-A233 PolarHBondContact O-N 2.93Å; L231-T234 PolarHBondContact O-N 3.47Å; L231-F235 WeakPolarHBondContact O-CB 3.46Å; L231-F235 PolarHBondContact O-N 3.1Å
232	I	92.8	Very high	89	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.9	-51	176.9	-62.5	166	0	0	0	109.7	Q168 L171 I172 L215 S228 T234 F235 F236	Q168-I232 HydrophobicContact CG-CG2 4.48Å; L171-I232 HydrophobicContact CB-CD1 4.41Å; L171-I232 HydrophobicContact CB-CG2 4.02Å; I172-I232 HydrophobicContact CG1-CB 4.27Å; I172-I232 HydrophobicContact CG1-CG2 3.9Å; L215-I232 HydrophobicContact CD1-CG1 4.41Å; L215-I232 HydrophobicContact CD2-CG1 4.17Å; S228-I232 WeakPolarHBondContact O-CG1 3.4Å; S228-I232 PolarHBondContact O-N 3.5Å; S228-I232 VanDerWaalsContact O-N 3.13Å; I232-T234 VanDerWaalsContact C-N 3.31Å; I232-T234 PolarHBondContact O-N 3.39Å; I232-F235 WeakPolarHBondContact O-CB 3.33Å; I232-F235 PolarHBondContact O-N 3.13Å; I232-F236 HydrophobicContact CG2-CD2 3.92Å; I232-F236 HydrophobicContact CG2-CE2 3.88Å; I232-F236 VanDerWaalsContact O-CD2 3.3Å; I232-F236 WeakPolarHBondContact O-CD2 3.29Å; I232-F236 PolarHBondContact O-N 3.32Å; I232-F236 VanDerWaalsContact O-N 3.07Å
233	A	92.8	Very high	88.7	Confident	34 Å²	34	67 Å²	67	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-39.5	177.8	0	0	0	0	0	112.7	P229 L231 S237	P229-A233 WeakPolarHBondContact O-CB 3.44Å; P229-A233 PolarHBondContact O-N 3.03Å; L231-A233 PolarHBondContact O-N 2.93Å; A233-S237 VanDerWaalsContact O-CB 3.28Å; A233-S237 WeakPolarHBondContact O-CB 3.36Å; A233-S237 PolarHBondContact O-N 2.99Å
234	T	91.5	Very high	88.7	Confident	61 Å²	61	64.7 Å²	64.7	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-41.5	177.1	-58.2	0	0	0	0	111.6	Q230 L231 I232 S237 K238	Q230-T234 VanDerWaalsContact O-CB 3.32Å; Q230-T234 WeakPolarHBondContact O-CB 3.45Å; Q230-T234 PolarHBondContact O-N 3.48Å; Q230-T234 PolarHBondContact O-OG1 2.93Å; L231-T234 PolarHBondContact O-N 3.47Å; I232-T234 VanDerWaalsContact C-N 3.31Å; I232-T234 PolarHBondContact O-N 3.39Å; T234-S237 PolarHBondContact O-N 2.96Å; T234-K238 HydrophobicContact CG2-CD 4.27Å; T234-K238 HydrophobicContact CG2-CG 4.48Å; T234-K238 WeakPolarHBondContact O-CB 3.31Å; T234-K238 WeakPolarHBondContact O-CG 3.48Å; T234-K238 PolarHBondContact O-N 3.16Å
235	F	92.6	Very high	88.7	Confident	10 Å²	10	65.3 Å²	65.3	4%	0.044	35%	0.348	C	S	.	.	H	α-helix	trans	-58.9	-52.3	176.7	166.1	-97.4	0	0	0	110.8	I211 L215 L218 L231 I232 S237 K238 L239	I211-F235 HydrophobicContact CG2-CE1 3.96Å; I211-F235 HydrophobicContact CG2-CZ 4.41Å; L215-F235 HydrophobicContact CB-CD1 4.47Å; L215-F235 HydrophobicContact CB-CD2 4.48Å; L215-F235 HydrophobicContact CB-CG 4.44Å; L215-F235 HydrophobicContact CD1-CB 3.62Å; L215-F235 HydrophobicContact CD1-CD1 4.06Å; L215-F235 HydrophobicContact CD1-CD2 4.32Å; L215-F235 HydrophobicContact CD1-CG 3.72Å; L218-F235 HydrophobicContact CD1-CD2 4.27Å; L231-F235 WeakPolarHBondContact O-CB 3.46Å; L231-F235 PolarHBondContact O-N 3.1Å; I232-F235 WeakPolarHBondContact O-CB 3.33Å; I232-F235 PolarHBondContact O-N 3.13Å; F235-S237 PolarHBondContact O-N 2.98Å; F235-K238 PolarHBondContact O-N 3.49Å; F235-L239 HydrophobicContact CE1-CD2 4.27Å; F235-L239 HydrophobicContact CZ-CD2 4.29Å; F235-L239 WeakPolarHBondContact O-CB 2.9Å; F235-L239 PolarHBondContact O-N 2.92Å
236	F	92.2	Very high	88.6	Confident	1 Å²	1	67.6 Å²	67.6	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-41	179.7	-79.5	-76.9	0	0	0	112.2	W164 Q168 L171 I211 I232 K238 L239 Q240	W164-F236 HydrophobicContact CB-CD1 4.15Å; W164-F236 HydrophobicContact CB-CE1 4.48Å; W164-F236 HydrophobicContact CE3-CB 4.47Å; W164-F236 WeakPolarHBondContact O-CD1 3.43Å; W164-F236 WeakPolarHBondContact O-CE1 3.32Å; Q168-F236 HydrophobicContact CB-CB 4.2Å; Q168-F236 HydrophobicContact CB-CD1 4.2Å; Q168-F236 HydrophobicContact CB-CD2 3.5Å; Q168-F236 VanDerWaalsContact CB-CD2 3.5Å; Q168-F236 HydrophobicContact CB-CE1 4.49Å; Q168-F236 HydrophobicContact CB-CE2 3.86Å; Q168-F236 HydrophobicContact CB-CG 3.7Å; Q168-F236 HydrophobicContact CB-CZ 4.33Å; Q168-F236 HydrophobicContact CG-CB 4.17Å; Q168-F236 HydrophobicContact CG-CD2 3.66Å; Q168-F236 HydrophobicContact CG-CE2 4.33Å; Q168-F236 HydrophobicContact CG-CG 4.04Å; L171-F236 HydrophobicContact CD1-CE2 3.88Å; L171-F236 HydrophobicContact CD1-CZ 3.98Å; I211-F236 HydrophobicContact CG2-CE1 4.28Å; I211-F236 HydrophobicContact CG2-CZ 3.85Å; I232-F236 HydrophobicContact CG2-CD2 3.92Å; I232-F236 HydrophobicContact CG2-CE2 3.88Å; I232-F236 VanDerWaalsContact O-CD2 3.3Å; I232-F236 WeakPolarHBondContact O-CD2 3.29Å; I232-F236 PolarHBondContact O-N 3.32Å; I232-F236 VanDerWaalsContact O-N 3.07Å; F236-K238 VanDerWaalsContact C-N 3.33Å; F236-K238 PolarHBondContact O-N 3.31Å; F236-L239 HydrophobicContact CD1-CD2 4.39Å; F236-L239 WeakPolarHBondContact O-CB 2.93Å; F236-L239 PolarHBondContact O-N 3.2Å; F236-L239 VanDerWaalsContact O-N 3.15Å; F236-Q240 VanDerWaalsContact O-CG 3.3Å; F236-Q240 WeakPolarHBondContact O-CG 3.46Å; F236-Q240 PolarHBondContact O-N 3.19Å
237	S	90.3	Very high	88.4	Confident	56 Å²	56	69.6 Å²	69.6	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-58.2	-44.3	174.3	-179.9	0	0	0	0	112.2	A233 T234 F235 Q240 L241	A233-S237 VanDerWaalsContact O-CB 3.28Å; A233-S237 WeakPolarHBondContact O-CB 3.36Å; A233-S237 PolarHBondContact O-N 2.99Å; T234-S237 PolarHBondContact O-N 2.96Å; F235-S237 PolarHBondContact O-N 2.98Å; S237-Q240 WeakPolarHBondContact O-CB 3.44Å; S237-Q240 PolarHBondContact O-N 2.9Å; S237-L241 WeakPolarHBondContact O-CG 3.48Å; S237-L241 PolarHBondContact O-N 2.92Å
238	K	87.7	Confident	88.4	Confident	110 Å²	110	69 Å²	69	48%	0.478	36%	0.359	S	S	.	.	H	α-helix	trans	-64.9	-39.5	174.5	-75.2	-177.9	179.6	-175.7	0	112.2	L218 T234 F235 F236 Q240 L241 A242	L218-K238 HydrophobicContact CD1-CD 4.39Å; T234-K238 HydrophobicContact CG2-CD 4.27Å; T234-K238 HydrophobicContact CG2-CG 4.48Å; T234-K238 WeakPolarHBondContact O-CB 3.31Å; T234-K238 WeakPolarHBondContact O-CG 3.48Å; T234-K238 PolarHBondContact O-N 3.16Å; F235-K238 PolarHBondContact O-N 3.49Å; F236-K238 VanDerWaalsContact C-N 3.33Å; F236-K238 PolarHBondContact O-N 3.31Å; K238-Q240 PolarHBondContact O-N 3.27Å; K238-L241 CarbonylContact O-C 3.53Å; K238-L241 PolarHBondContact O-N 3.46Å; K238-A242 WeakPolarHBondContact O-CB 3.47Å; K238-A242 PolarHBondContact O-N 2.9Å
239	L	86.5	Confident	88.4	Confident	29 Å²	29	72.5 Å²	72.5	15%	0.152	37%	0.373	C	S	.	.	H	α-helix	trans	-62.4	-30.7	177.7	-170.7	66	0	0	0	111.9	F235 F236 H247	F235-L239 HydrophobicContact CE1-CD2 4.27Å; F235-L239 HydrophobicContact CZ-CD2 4.29Å; F235-L239 WeakPolarHBondContact O-CB 2.9Å; F235-L239 PolarHBondContact O-N 2.92Å; F236-L239 HydrophobicContact CD1-CD2 4.39Å; F236-L239 WeakPolarHBondContact O-CB 2.93Å; F236-L239 PolarHBondContact O-N 3.2Å; F236-L239 VanDerWaalsContact O-N 3.15Å; L239-H247 PolarHBondContact O-CE1 3.03Å
240	Q	85.9	Confident	88.3	Confident	99 Å²	99	69.2 Å²	69.2	46%	0.463	35%	0.351	S	S	.	.	H	α-helix	trans	-75.8	-36.7	174.7	-61.2	-158.3	-80.5	0	0	114.3	W164 F236 S237 K238 A242	W164-Q240 HydrophobicContact CD2-CG 3.88Å; W164-Q240 HydrophobicContact CE3-CG 3.49Å; W164-Q240 VanDerWaalsContact CE3-CG 3.49Å; W164-Q240 HydrophobicContact CH2-CG 4.09Å; W164-Q240 VanDerWaalsContact CZ2-CD 3.43Å; W164-Q240 HydrophobicContact CZ2-CG 4.42Å; W164-Q240 HydrophobicContact CZ3-CG 3.6Å; W164-Q240 VanDerWaalsContact CZ3-NE2 3.34Å; F236-Q240 VanDerWaalsContact O-CG 3.3Å; F236-Q240 WeakPolarHBondContact O-CG 3.46Å; F236-Q240 PolarHBondContact O-N 3.19Å; S237-Q240 WeakPolarHBondContact O-CB 3.44Å; S237-Q240 PolarHBondContact O-N 2.9Å; K238-Q240 PolarHBondContact O-N 3.27Å; Q240-A242 VanDerWaalsContact C-N 3.29Å
241	L	86.5	Confident	88.3	Confident	145 Å²	145	64.7 Å²	64.7	76%	0.759	33%	0.332	S	S	*	.	H	α-helix	trans	-90.1	0.7	-177.4	-65	173.5	0	0	0	112.1	S237 K238	S237-L241 WeakPolarHBondContact O-CG 3.48Å; S237-L241 PolarHBondContact O-N 2.92Å; K238-L241 CarbonylContact O-C 3.53Å; K238-L241 PolarHBondContact O-N 3.46Å
242	A	81.3	Confident	88.5	Confident	26 Å²	26	69.3 Å²	69.3	22%	0.215	36%	0.357	C	S	.	.			trans	-65.4	142.2	-176.2	0	0	0	0	0	111	K238 Q240 Y246	K238-A242 WeakPolarHBondContact O-CB 3.47Å; K238-A242 PolarHBondContact O-N 2.9Å; Q240-A242 VanDerWaalsContact C-N 3.29Å; A242-Y246 HydrophobicContact CB-CG 4.41Å
243	E	81.5	Confident	88.5	Confident	138 Å²	138	73.4 Å²	73.4	65%	0.645	38%	0.376	S	S	*	.			trans	-64.5	156.3	172.3	-64.6	-176.7	170.9	0	0	110.8	S245 Y246 H247	E243-S245 WeakPolarHBondContact CB-OG 3.4Å; E243-S245 PolarHBondContact O-N 3Å; E243-Y246 HydrophobicContact CB-CD2 4.26Å; E243-Y246 WeakPolarHBondContact O-CB 3.38Å; E243-Y246 PolarHBondContact O-N 2.79Å; E243-H247 PolarHBondContact O-N 3.17Å
244	Q	85.8	Confident	88.5	Confident	127 Å²	127	73.6 Å²	73.6	59%	0.593	37%	0.369	S	S	*	.	H	α-helix	trans	-54	-30.1	177.6	-172.1	61.1	45.2	0	0	112.9	Y246 H247 N248	Q244-Y246 VanDerWaalsContact C-N 3.32Å; Q244-Y246 PolarHBondContact O-N 3.28Å; Q244-H247 PolarHBondContact O-N 3.49Å; Q244-N248 PolarHBondContact NE2-OD1 3.2Å; Q244-N248 VanDerWaalsContact NE2-OD1 3.08Å; Q244-N248 PolarHBondContact O-N 2.8Å; Q244-N248 PolarHBondContact O-OD1 2.97Å
245	S	85.3	Confident	88.7	Confident	48 Å²	48	74.1 Å²	74.1	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-56.4	-42.9	174.3	53.3	0	0	0	0	112.7	E243 N248 M249	E243-S245 WeakPolarHBondContact CB-OG 3.4Å; E243-S245 PolarHBondContact O-N 3Å; S245-N248 PolarHBondContact O-N 3.45Å; S245-M249 WeakPolarHBondContact O-CG 3.49Å; S245-M249 PolarHBondContact O-N 3.15Å; S245-M249 VanDerWaalsContact O-N 3.1Å
246	Y	84.5	Confident	88.8	Confident	144 Å²	144	75.7 Å²	75.7	57%	0.565	39%	0.385	S	S	*	.	H	α-helix	trans	-70	-37.2	177.1	-77.4	-82	0	0	0	112.3	A242 E243 Q244 N248 M249 F250	A242-Y246 HydrophobicContact CB-CG 4.41Å; E243-Y246 HydrophobicContact CB-CD2 4.26Å; E243-Y246 WeakPolarHBondContact O-CB 3.38Å; E243-Y246 PolarHBondContact O-N 2.79Å; Q244-Y246 VanDerWaalsContact C-N 3.32Å; Q244-Y246 PolarHBondContact O-N 3.28Å; Y246-N248 VanDerWaalsContact C-N 3.3Å; Y246-N248 PolarHBondContact O-N 2.96Å; Y246-M249 PolarHBondContact O-N 3.46Å; Y246-F250 WeakPolarHBondContact O-CB 3.46Å; Y246-F250 PolarHBondContact O-N 2.91Å
247	H	85.6	Confident	88.9	Confident	61 Å²	61	76.2 Å²	76.2	28%	0.282	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-39.7	173.5	-71.9	-62.5	0	0	0	111.6	L239 E243 Q244 F250 D251	L239-H247 PolarHBondContact O-CE1 3.03Å; E243-H247 PolarHBondContact O-N 3.17Å; Q244-H247 PolarHBondContact O-N 3.49Å; H247-F250 WeakPolarHBondContact O-CB 3.38Å; H247-F250 PolarHBondContact O-N 2.94Å; H247-D251 PolarHBondContact O-N 3.08Å
248	N	89.7	Confident	89.1	Confident	79 Å²	79	74.9 Å²	74.9	42%	0.422	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-42.7	175.9	-61.8	-8.6	0	0	0	111.6	Q244 S245 Y246 F250 D251 D252	Q244-N248 PolarHBondContact NE2-OD1 3.2Å; Q244-N248 VanDerWaalsContact NE2-OD1 3.08Å; Q244-N248 PolarHBondContact O-N 2.8Å; Q244-N248 PolarHBondContact O-OD1 2.97Å; S245-N248 PolarHBondContact O-N 3.45Å; Y246-N248 VanDerWaalsContact C-N 3.3Å; Y246-N248 PolarHBondContact O-N 2.96Å; N248-F250 VanDerWaalsContact C-N 3.3Å; N248-F250 PolarHBondContact O-N 3.14Å; N248-D251 PolarHBondContact O-N 3.49Å; N248-D252 VanDerWaalsContact O-CG 3.28Å; N248-D252 PolarHBondContact O-N 3.35Å
249	M	89.9	Confident	89.5	Confident	109 Å²	109	74.7 Å²	74.7	54%	0.537	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-40	175.1	-67.1	179.5	-170.7	0	0	112	Y214 S245 Y246 D252 E253	Y214-M249 PolarHBondContact OH-O 3.47Å; S245-M249 WeakPolarHBondContact O-CG 3.49Å; S245-M249 PolarHBondContact O-N 3.15Å; S245-M249 VanDerWaalsContact O-N 3.1Å; Y246-M249 PolarHBondContact O-N 3.46Å; M249-D252 PolarHBondContact O-N 2.87Å; M249-E253 PolarHBondContact O-N 2.8Å
250	F	90.3	Very high	89.9	Confident	7 Å²	7	80.3 Å²	80.3	3%	0.031	40%	0.395	C	S	.	.	H	α-helix	trans	-62.4	-44.8	175	-175	-75.9	0	0	0	111.2	Y207 I210 I211 Y214 Y246 H247 N248 E253 W254	Y207-F250 AromaticContact CD2-CE1 3.49Å; Y207-F250 HydrophobicContact CD2-CE1 3.49Å; Y207-F250 VanDerWaalsContact CD2-CE1 3.49Å; Y207-F250 HydrophobicContact CD2-CZ 4.08Å; Y207-F250 HydrophobicContact CE2-CD1 4.05Å; Y207-F250 AromaticContact CE2-CE1 3.2Å; Y207-F250 HydrophobicContact CE2-CE1 3.2Å; Y207-F250 AromaticContact CE2-CZ 3.82Å; Y207-F250 HydrophobicContact CE2-CZ 3.82Å; Y207-F250 HydrophobicContact CG-CE1 4.36Å; Y207-F250 AromaticContact CZ-CE1 3.87Å; I210-F250 HydrophobicContact CB-CE1 4.45Å; I210-F250 HydrophobicContact CB-CE2 4.2Å; I210-F250 HydrophobicContact CB-CZ 3.86Å; I210-F250 HydrophobicContact CG2-CD2 3.87Å; I210-F250 HydrophobicContact CG2-CE1 4.08Å; I210-F250 HydrophobicContact CG2-CE2 3.42Å; I210-F250 VanDerWaalsContact CG2-CE2 3.42Å; I210-F250 HydrophobicContact CG2-CG 4.41Å; I210-F250 HydrophobicContact CG2-CZ 3.52Å; I211-F250 HydrophobicContact CG1-CE2 4.18Å; I211-F250 HydrophobicContact CG1-CZ 3.97Å; Y214-F250 HydrophobicContact CD1-CD2 4.12Å; Y214-F250 HydrophobicContact CE1-CD2 4.07Å; Y214-F250 HydrophobicContact CG-CD2 4.45Å; Y246-F250 WeakPolarHBondContact O-CB 3.46Å; Y246-F250 PolarHBondContact O-N 2.91Å; H247-F250 WeakPolarHBondContact O-CB 3.38Å; H247-F250 PolarHBondContact O-N 2.94Å; N248-F250 VanDerWaalsContact C-N 3.3Å; N248-F250 PolarHBondContact O-N 3.14Å; F250-E253 PolarHBondContact O-N 3.5Å; F250-W254 WeakPolarHBondContact O-CB 3.2Å; F250-W254 PolarHBondContact O-N 3.47Å
251	D	91.6	Very high	90.3	Very high	64 Å²	64	75.9 Å²	75.9	34%	0.342	37%	0.374	S	S	.	.	H	α-helix	trans	-65.2	-37.2	178	-76	-24.5	0	0	0	112.2	H247 N248 W254 N255	H247-D251 PolarHBondContact O-N 3.08Å; N248-D251 PolarHBondContact O-N 3.49Å; D251-W254 PolarHBondContact O-N 3.28Å; D251-N255 WeakPolarHBondContact O-CB 3.04Å; D251-N255 PolarHBondContact O-N 2.92Å; D251-N255 PolarHBondContact O-ND2 3.47Å
252	D	94.1	Very high	90.6	Very high	108 Å²	108	71.6 Å²	71.6	58%	0.578	35%	0.349	S	S	*	.	H	α-helix	trans	-63.6	-46.4	175.2	-72.7	-21.9	0	0	0	111.5	N248 M249 W254 N255 A256	N248-D252 VanDerWaalsContact O-CG 3.28Å; N248-D252 PolarHBondContact O-N 3.35Å; M249-D252 PolarHBondContact O-N 2.87Å; D252-W254 VanDerWaalsContact C-N 3.34Å; D252-W254 PolarHBondContact O-N 3.28Å; D252-N255 PolarHBondContact O-N 2.98Å; D252-A256 WeakPolarHBondContact O-CB 3.39Å; D252-A256 PolarHBondContact O-N 3.27Å
253	E	92.6	Very high	91.3	Very high	86 Å²	86	73.1 Å²	73.1	40%	0.402	36%	0.362	S	S	.	.	H	α-helix	trans	-63.7	-39	175.1	-77.3	-64.3	160.2	0	0	112.2	I210 Y214 M249 F250 A256 L257	I210-E253 HydrophobicContact CD1-CB 4.39Å; Y214-E253 HydrophobicContact CE2-CB 4.24Å; Y214-E253 HydrophobicContact CE2-CG 4.1Å; Y214-E253 WeakPolarHBondContact OH-CG 3.47Å; M249-E253 PolarHBondContact O-N 2.8Å; F250-E253 PolarHBondContact O-N 3.5Å; E253-A256 PolarHBondContact O-N 3.4Å; E253-L257 WeakPolarHBondContact O-CB 3.44Å; E253-L257 PolarHBondContact O-N 3.3Å
254	W	93.9	Very high	91.8	Very high	37 Å²	37	72.4 Å²	72.4	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-43	174.7	178.9	39.6	0	0	0	112	S203 Y207 I210 F250 D251 D252 L257 K258	S203-W254 WeakPolarHBondContact O-CZ2 3.44Å; S203-W254 PolarHBondContact O-NE1 3.45Å; S203-W254 VanDerWaalsContact OG-CZ2 3.24Å; S203-W254 WeakPolarHBondContact OG-CZ2 3.43Å; Y207-W254 HydrophobicContact CD2-CD2 4.11Å; Y207-W254 HydrophobicContact CD2-CE3 4.29Å; Y207-W254 HydrophobicContact CD2-CZ2 4.39Å; I210-W254 HydrophobicContact CG1-CB 4.31Å; F250-W254 WeakPolarHBondContact O-CB 3.2Å; F250-W254 PolarHBondContact O-N 3.47Å; D251-W254 PolarHBondContact O-N 3.28Å; D252-W254 VanDerWaalsContact C-N 3.34Å; D252-W254 PolarHBondContact O-N 3.28Å; W254-L257 PolarHBondContact O-N 2.83Å; W254-K258 WeakPolarHBondContact O-CG 3.48Å; W254-K258 PolarHBondContact O-N 3.4Å; W254-K258 VanDerWaalsContact O-N 3.08Å
255	N	95.1	Very high	92.2	Very high	73 Å²	73	66.7 Å²	66.7	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-65	-42.9	174.2	-71.6	-38.5	0	0	0	111.9	D251 D252 L257 K258 E259	D251-N255 WeakPolarHBondContact O-CB 3.04Å; D251-N255 PolarHBondContact O-N 2.92Å; D251-N255 PolarHBondContact O-ND2 3.47Å; D252-N255 PolarHBondContact O-N 2.98Å; N255-L257 VanDerWaalsContact C-N 3.34Å; N255-L257 PolarHBondContact O-N 2.64Å; N255-K258 PolarHBondContact O-N 2.87Å; N255-K258 WeakPolarHBondContact OD1-CE 3.48Å; N255-K258 PolarHBondContact OD1-NZ 3.25Å; N255-E259 PolarHBondContact O-N 2.65Å
256	A	95.5	Very high	92.5	Very high	43 Å²	43	71.7 Å²	71.7	36%	0.355	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-38.6	176.5	0	0	0	0	0	112.3	D252 E253 R260	D252-A256 WeakPolarHBondContact O-CB 3.39Å; D252-A256 PolarHBondContact O-N 3.27Å; E253-A256 PolarHBondContact O-N 3.4Å; A256-R260 WeakPolarHBondContact O-CG 3.3Å; A256-R260 PolarHBondContact O-N 2.91Å; A256-R260 PolarHBondContact O-NE 3.26Å
257	L	93.6	Very high	93	Very high	11 Å²	11	70.3 Å²	70.3	6%	0.058	34%	0.342	C	S	.	.	H	α-helix	trans	-64.6	-44.9	174.3	-177.7	64.2	0	0	0	111.5	A206 T209 I210 E253 W254 N255 E259 R260 I261	A206-L257 HydrophobicContact CB-CD2 4.07Å; T209-L257 HydrophobicContact CG2-CD2 4.04Å; I210-L257 HydrophobicContact CD1-CB 3.99Å; I210-L257 HydrophobicContact CD1-CD2 3.63Å; I210-L257 HydrophobicContact CD1-CG 4.37Å; I210-L257 HydrophobicContact CG1-CD2 3.9Å; E253-L257 WeakPolarHBondContact O-CB 3.44Å; E253-L257 PolarHBondContact O-N 3.3Å; W254-L257 PolarHBondContact O-N 2.83Å; N255-L257 VanDerWaalsContact C-N 3.34Å; N255-L257 PolarHBondContact O-N 2.64Å; L257-E259 PolarHBondContact O-N 3.05Å; L257-R260 PolarHBondContact O-N 3.02Å; L257-I261 HydrophobicContact CD1-CD1 4.13Å; L257-I261 HydrophobicContact CD1-CG1 4.46Å; L257-I261 HydrophobicContact CD2-CD1 4.45Å; L257-I261 HydrophobicContact CG-CD1 3.79Å; L257-I261 WeakPolarHBondContact O-CD1 3.4Å; L257-I261 WeakPolarHBondContact O-CG1 3.35Å; L257-I261 PolarHBondContact O-N 3.49Å
258	K	94.7	Very high	93.2	Very high	28 Å²	28	71.1 Å²	71.1	12%	0.122	35%	0.345	C	S	.	.	H	α-helix	trans	-58.2	-46.5	176.4	-72.1	179.1	-58.6	-170.3	0	111.8	M202 S203 A206 W254 N255 R260 I261 K262	M202-K258 HydrophobicContact CE-CB 4.43Å; M202-K258 HydrophobicContact CE-CG 4.42Å; M202-K258 HydrophobicContact SD-CB 4.41Å; M202-K258 HydrophobicContact SD-CG 3.99Å; S203-K258 VanDerWaalsContact OG-CD 3.25Å; S203-K258 WeakPolarHBondContact OG-CD 3.29Å; A206-K258 HydrophobicContact CB-CG 4.27Å; W254-K258 WeakPolarHBondContact O-CG 3.48Å; W254-K258 PolarHBondContact O-N 3.4Å; W254-K258 VanDerWaalsContact O-N 3.08Å; N255-K258 PolarHBondContact O-N 2.87Å; N255-K258 WeakPolarHBondContact OD1-CE 3.48Å; N255-K258 PolarHBondContact OD1-NZ 3.25Å; K258-R260 PolarHBondContact O-N 3.02Å; K258-I261 PolarHBondContact O-N 3.37Å; K258-K262 VanDerWaalsContact O-CG 3.32Å; K258-K262 WeakPolarHBondContact O-CG 3.33Å; K258-K262 PolarHBondContact O-N 2.89Å
259	E	95.4	Very high	93.1	Very high	106 Å²	106	71.7 Å²	71.7	50%	0.495	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-38.3	178.9	-68.9	-52.6	123.4	0	0	112.3	N255 L257 I261 K262 A263	N255-E259 PolarHBondContact O-N 2.65Å; L257-E259 PolarHBondContact O-N 3.05Å; E259-I261 PolarHBondContact O-N 3.37Å; E259-K262 PolarHBondContact O-N 3.03Å; E259-K262 IonicContact OE1-NZ 2.89Å; E259-K262 PolarHBondContact OE1-NZ 2.86Å; E259-A263 WeakPolarHBondContact O-CB 3.43Å; E259-A263 PolarHBondContact O-N 2.91Å
260	R	94.8	Very high	93.2	Very high	147 Å²	147	68.6 Å²	68.6	56%	0.555	34%	0.339	S	S	*	.	H	α-helix	trans	-60.9	-42.7	172.3	-76.3	-176	-71.4	177.8	-6	112.4	A256 L257 K258 A263 R264	A256-R260 WeakPolarHBondContact O-CG 3.3Å; A256-R260 PolarHBondContact O-N 2.91Å; A256-R260 PolarHBondContact O-NE 3.26Å; L257-R260 PolarHBondContact O-N 3.02Å; K258-R260 PolarHBondContact O-N 3.02Å; R260-A263 PolarHBondContact O-N 2.87Å; R260-R264 WeakPolarHBondContact O-CB 3.27Å; R260-R264 PolarHBondContact O-N 2.9Å
261	I	93.8	Very high	93.2	Very high	6 Å²	6	73.8 Å²	73.8	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-65.5	-45.8	178.1	-68.4	157.3	0	0	0	110.6	C190 E194 M202 A206 L257 K258 E259 A263 R264 A265	C190-I261 HydrophobicContact CB-CD1 3.59Å; C190-I261 HydrophobicContact CB-CG1 4.38Å; C190-I261 HydrophobicContact CB-CG2 4.38Å; E194-I261 HydrophobicContact CB-CG2 4.08Å; M202-I261 HydrophobicContact CG-CG2 4.02Å; M202-I261 HydrophobicContact SD-CB 4.44Å; M202-I261 HydrophobicContact SD-CD1 4.18Å; M202-I261 HydrophobicContact SD-CG2 4.2Å; A206-I261 HydrophobicContact CB-CD1 4.41Å; L257-I261 HydrophobicContact CD1-CD1 4.13Å; L257-I261 HydrophobicContact CD1-CG1 4.46Å; L257-I261 HydrophobicContact CD2-CD1 4.45Å; L257-I261 HydrophobicContact CG-CD1 3.79Å; L257-I261 WeakPolarHBondContact O-CD1 3.4Å; L257-I261 WeakPolarHBondContact O-CG1 3.35Å; L257-I261 PolarHBondContact O-N 3.49Å; K258-I261 PolarHBondContact O-N 3.37Å; E259-I261 PolarHBondContact O-N 3.37Å; I261-A263 PolarHBondContact O-N 3Å; I261-R264 PolarHBondContact O-N 3.15Å; I261-A265 WeakPolarHBondContact O-CB 3.36Å; I261-A265 PolarHBondContact O-N 2.91Å
262	K	94.2	Very high	93	Very high	55 Å²	55	73.4 Å²	73.4	24%	0.239	37%	0.369	C	S	.	.	H	α-helix	trans	-60.1	-43.6	176.1	-70.9	176.8	-172.9	168.4	0	112.2	E194 M202 K258 E259 A265 K266	E194-K262 HydrophobicContact CG-CG 4.47Å; M202-K262 HydrophobicContact CE-CG 4.17Å; K258-K262 VanDerWaalsContact O-CG 3.32Å; K258-K262 WeakPolarHBondContact O-CG 3.33Å; K258-K262 PolarHBondContact O-N 2.89Å; E259-K262 PolarHBondContact O-N 3.03Å; E259-K262 IonicContact OE1-NZ 2.89Å; E259-K262 PolarHBondContact OE1-NZ 2.86Å; K262-A265 PolarHBondContact O-N 2.76Å; K262-K266 WeakPolarHBondContact O-CB 3.32Å; K262-K266 VanDerWaalsContact O-CG 3.31Å; K262-K266 WeakPolarHBondContact O-CG 3.38Å; K262-K266 PolarHBondContact O-N 3.36Å
263	A	94.7	Very high	92.6	Very high	58 Å²	58	74 Å²	74	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-47	176.7	0	0	0	0	0	111.1	E259 R260 I261 A265 K266 E267	E259-A263 WeakPolarHBondContact O-CB 3.43Å; E259-A263 PolarHBondContact O-N 2.91Å; R260-A263 PolarHBondContact O-N 2.87Å; I261-A263 PolarHBondContact O-N 3Å; A263-A265 PolarHBondContact O-N 3.36Å; A263-K266 PolarHBondContact O-N 2.8Å; A263-E267 PolarHBondContact O-N 3.44Å
264	R	93.7	Very high	92.4	Very high	124 Å²	124	76.9 Å²	76.9	47%	0.468	38%	0.381	S	S	.	.	H	α-helix	trans	-65.8	-35.3	177.7	-167.9	176.3	-172.6	-174.6	2.1	113.1	L191 R260 I261 K268	L191-R264 HydrophobicContact CD1-CB 4.11Å; L191-R264 HydrophobicContact CD1-CG 4.06Å; L191-R264 HydrophobicContact CD2-CG 4.48Å; R260-R264 WeakPolarHBondContact O-CB 3.27Å; R260-R264 PolarHBondContact O-N 2.9Å; I261-R264 PolarHBondContact O-N 3.15Å; R264-K268 PolarHBondContact O-N 3.05Å
265	A	92.7	Very high	92.1	Very high	7 Å²	7	78 Å²	78	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-67.4	-42.9	175	0	0	0	0	0	111.4	L191 E194 L195 I261 K262 A263 E267 K268 L269	L191-A265 HydrophobicContact CD1-CB 3.97Å; E194-A265 HydrophobicContact CB-CB 3.96Å; E194-A265 HydrophobicContact CG-CB 3.45Å; E194-A265 VanDerWaalsContact CG-CB 3.45Å; L195-A265 HydrophobicContact CD2-CB 4.19Å; I261-A265 WeakPolarHBondContact O-CB 3.36Å; I261-A265 PolarHBondContact O-N 2.91Å; K262-A265 PolarHBondContact O-N 2.76Å; A263-A265 PolarHBondContact O-N 3.36Å; A265-E267 VanDerWaalsContact C-N 3.34Å; A265-E267 PolarHBondContact O-N 3.12Å; A265-K268 PolarHBondContact O-N 3.08Å; A265-L269 WeakPolarHBondContact O-CB 3.08Å; A265-L269 PolarHBondContact O-N 2.82Å
266	K	93	Very high	91.6	Very high	152 Å²	152	78.3 Å²	78.3	66%	0.661	40%	0.403	S	S	*	.	H	α-helix	trans	-61.4	-41.4	174.1	-74	175.4	-176.9	179.9	0	112	K262 A263 L269 A270	K262-K266 WeakPolarHBondContact O-CB 3.32Å; K262-K266 VanDerWaalsContact O-CG 3.31Å; K262-K266 WeakPolarHBondContact O-CG 3.38Å; K262-K266 PolarHBondContact O-N 3.36Å; A263-K266 PolarHBondContact O-N 2.8Å; K266-L269 PolarHBondContact O-N 2.92Å; K266-A270 VanDerWaalsContact O-CB 3.31Å; K266-A270 WeakPolarHBondContact O-CB 3.38Å; K266-A270 PolarHBondContact O-N 2.86Å
267	E	93.4	Very high	91	Very high	116 Å²	116	82.8 Å²	82.8	54%	0.542	42%	0.416	S	S	.	.	H	α-helix	trans	-61.3	-51.5	175.3	-175.7	177.1	-159.4	0	0	111.2	A263 A265 L269 A270 E271	A263-E267 PolarHBondContact O-N 3.44Å; A265-E267 VanDerWaalsContact C-N 3.34Å; A265-E267 PolarHBondContact O-N 3.12Å; E267-L269 VanDerWaalsContact C-N 3.3Å; E267-L269 PolarHBondContact O-N 3.06Å; E267-A270 PolarHBondContact O-N 3.17Å; E267-A270 VanDerWaalsContact O-N 3.14Å; E267-E271 WeakPolarHBondContact O-CG 3.46Å; E267-E271 PolarHBondContact O-N 3.38Å
268	K	90.6	Very high	90.5	Very high	78 Å²	78	86 Å²	86	34%	0.339	43%	0.431	S	S	.	.	H	α-helix	trans	-59.2	-39	176.2	-78.6	-166.6	172.6	-170.2	0	113.4	L191 L195 R264 A265 A272	L191-K268 HydrophobicContact CD2-CD 3.98Å; L191-K268 VanDerWaalsContact CD2-NZ 3.32Å; L195-K268 HydrophobicContact CD1-CD 4.3Å; L195-K268 HydrophobicContact CD2-CB 4.32Å; R264-K268 PolarHBondContact O-N 3.05Å; A265-K268 PolarHBondContact O-N 3.08Å; K268-A272 WeakPolarHBondContact O-CB 3.45Å; K268-A272 PolarHBondContact O-N 2.92Å
269	L	88.2	Confident	89.9	Confident	91 Å²	91	89.8 Å²	89.8	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-69	-39.5	177.4	-170.8	146	0	0	0	111	A265 K266 E267 A272 M273	A265-L269 WeakPolarHBondContact O-CB 3.08Å; A265-L269 PolarHBondContact O-N 2.82Å; K266-L269 PolarHBondContact O-N 2.92Å; E267-L269 VanDerWaalsContact C-N 3.3Å; E267-L269 PolarHBondContact O-N 3.06Å; L269-A272 PolarHBondContact O-N 3.2Å; L269-M273 HydrophobicContact CD2-CG 4.16Å; L269-M273 HydrophobicContact CD2-SD 3.5Å; L269-M273 WeakPolarHBondContact CD2-SD 3.26Å; L269-M273 WeakPolarHBondContact O-CB 3.49Å; L269-M273 VanDerWaalsContact O-CG 3.3Å; L269-M273 WeakPolarHBondContact O-CG 3.34Å; L269-M273 PolarHBondContact O-N 3.4Å
270	A	91.3	Very high	89.3	Confident	43 Å²	43	89 Å²	89	36%	0.355	45%	0.445	S	S	.	.	H	α-helix	trans	-66.3	-38.8	174.2	0	0	0	0	0	112.5	K266 E267 M273 K274	K266-A270 VanDerWaalsContact O-CB 3.31Å; K266-A270 WeakPolarHBondContact O-CB 3.38Å; K266-A270 PolarHBondContact O-N 2.86Å; E267-A270 PolarHBondContact O-N 3.17Å; E267-A270 VanDerWaalsContact O-N 3.14Å; A270-M273 PolarHBondContact O-N 3.16Å; A270-K274 WeakPolarHBondContact O-CB 3.4Å; A270-K274 VanDerWaalsContact O-CG 3.32Å; A270-K274 WeakPolarHBondContact O-CG 3.43Å; A270-K274 PolarHBondContact O-N 3.07Å
271	E	90.1	Very high	88.5	Confident	117 Å²	117	85.9 Å²	85.9	55%	0.547	43%	0.434	S	S	.	.	H	α-helix	trans	-61.4	-45.9	172.3	-74.2	177.1	171.4	0	0	111.4	E267 K274 A275	E267-E271 WeakPolarHBondContact O-CG 3.46Å; E267-E271 PolarHBondContact O-N 3.38Å; E271-K274 PolarHBondContact O-N 3.02Å; E271-A275 WeakPolarHBondContact O-CB 3.39Å; E271-A275 PolarHBondContact O-N 3.38Å
272	A	87.9	Confident	87.9	Confident	55 Å²	55	90.9 Å²	90.9	46%	0.455	46%	0.457	S	S	.	.	H	α-helix	trans	-63.2	-42	176	0	0	0	0	0	112.1	K268 L269 A275 V276	K268-A272 WeakPolarHBondContact O-CB 3.45Å; K268-A272 PolarHBondContact O-N 2.92Å; L269-A272 PolarHBondContact O-N 3.2Å; A272-A275 PolarHBondContact O-N 3.33Å; A272-V276 WeakPolarHBondContact O-CG2 3.47Å; A272-V276 PolarHBondContact O-N 2.84Å
273	M	85.9	Confident	87.3	Confident	122 Å²	122	95.5 Å²	95.5	60%	0.601	48%	0.477	S	S	*	.	H	α-helix	trans	-63.5	-43.4	175.7	-75	-179.6	71.2	0	0	112.2	L269 A270 A275 V276 E277	L269-M273 HydrophobicContact CD2-CG 4.16Å; L269-M273 HydrophobicContact CD2-SD 3.5Å; L269-M273 WeakPolarHBondContact CD2-SD 3.26Å; L269-M273 WeakPolarHBondContact O-CB 3.49Å; L269-M273 VanDerWaalsContact O-CG 3.3Å; L269-M273 WeakPolarHBondContact O-CG 3.34Å; L269-M273 PolarHBondContact O-N 3.4Å; A270-M273 PolarHBondContact O-N 3.16Å; M273-A275 VanDerWaalsContact C-N 3.33Å; M273-A275 PolarHBondContact O-N 3.43Å; M273-V276 PolarHBondContact O-N 2.7Å; M273-E277 WeakPolarHBondContact O-CB 3.44Å; M273-E277 PolarHBondContact O-N 3.26Å
274	K	88	Confident	86.5	Confident	145 Å²	145	99.1 Å²	99.1	63%	0.63	48%	0.478	S	S	*	.	H	α-helix	trans	-63	-38.6	175.2	-76.4	178.6	179.1	-177.1	0	112.3	A270 E271 V276 E277 E278	A270-K274 WeakPolarHBondContact O-CB 3.4Å; A270-K274 VanDerWaalsContact O-CG 3.32Å; A270-K274 WeakPolarHBondContact O-CG 3.43Å; A270-K274 PolarHBondContact O-N 3.07Å; E271-K274 PolarHBondContact O-N 3.02Å; K274-V276 VanDerWaalsContact C-N 3.35Å; K274-E277 PolarHBondContact O-N 3.05Å; K274-E278 WeakPolarHBondContact O-CB 3.47Å; K274-E278 PolarHBondContact O-N 3.23Å
275	A	87.6	Confident	85.7	Confident	62 Å²	62	95.6 Å²	95.6	51%	0.512	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-40.8	176.3	0	0	0	0	0	111.7	E271 A272 M273 E279	E271-A275 WeakPolarHBondContact O-CB 3.39Å; E271-A275 PolarHBondContact O-N 3.38Å; A272-A275 PolarHBondContact O-N 3.33Å; M273-A275 VanDerWaalsContact C-N 3.33Å; M273-A275 PolarHBondContact O-N 3.43Å; A275-E279 WeakPolarHBondContact O-CB 3.34Å; A275-E279 PolarHBondContact O-N 2.8Å
276	V	84.9	Confident	84.8	Confident	79 Å²	79	96 Å²	96	48%	0.479	47%	0.473	S	S	.	.	H	α-helix	trans	-67.7	-42.8	174.7	173.8	0	0	0	0	111.3	A272 M273 K274 E279 E280	A272-V276 WeakPolarHBondContact O-CG2 3.47Å; A272-V276 PolarHBondContact O-N 2.84Å; M273-V276 PolarHBondContact O-N 2.7Å; K274-V276 VanDerWaalsContact C-N 3.35Å; V276-E279 PolarHBondContact O-N 2.75Å; V276-E280 PolarHBondContact O-N 2.99Å
277	E	82.9	Confident	84	Confident	136 Å²	136	94.5 Å²	94.5	64%	0.636	48%	0.479	S	S	*	.	H	α-helix	trans	-62.2	-42	177	-175	176.9	-170.5	0	0	111.7	M273 K274 E280 R281	M273-E277 WeakPolarHBondContact O-CB 3.44Å; M273-E277 PolarHBondContact O-N 3.26Å; K274-E277 PolarHBondContact O-N 3.05Å; E277-E280 PolarHBondContact O-N 3.49Å; E277-R281 WeakPolarHBondContact O-CB 3.35Å; E277-R281 PolarHBondContact O-N 3.45Å
278	E	83.3	Confident	83.1	Confident	80 Å²	80	90.9 Å²	90.9	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-66.4	-38.8	174.5	-174.1	60.3	-151.1	0	0	111.2	K274 E280 R281 Q282	K274-E278 WeakPolarHBondContact O-CB 3.47Å; K274-E278 PolarHBondContact O-N 3.23Å; E278-E280 VanDerWaalsContact C-N 3.33Å; E278-E280 PolarHBondContact O-N 2.97Å; E278-R281 WeakPolarHBondContact O-CB 3.37Å; E278-R281 PolarHBondContact O-N 3.13Å; E278-R281 IonicContact OE1-NH1 3.8Å; E278-R281 IonicContact OE2-NH1 3.04Å; E278-Q282 WeakPolarHBondContact O-CB 3.5Å; E278-Q282 WeakPolarHBondContact O-CG 3.48Å; E278-Q282 PolarHBondContact O-N 3.5Å; E278-Q282 PolarHBondContact OE1-NE2 3.23Å
279	E	82.6	Confident	82.4	Confident	106 Å²	106	89.3 Å²	89.3	50%	0.495	48%	0.479	S	S	.	.	H	α-helix	trans	-63	-39.8	173.9	-162.2	-165	147.8	0	0	111.8	A275 V276 K283	A275-E279 WeakPolarHBondContact O-CB 3.34Å; A275-E279 PolarHBondContact O-N 2.8Å; V276-E279 PolarHBondContact O-N 2.75Å; E279-K283 WeakPolarHBondContact O-CG 3.45Å; E279-K283 PolarHBondContact O-N 2.84Å; E279-K283 VanDerWaalsContact O-N 3.12Å; E279-K283 VanDerWaalsContact OE1-CE 3.31Å; E279-K283 WeakPolarHBondContact OE1-CE 3.42Å; E279-K283 IonicContact OE1-NZ 2.8Å; E279-K283 PolarHBondContact OE1-NZ 3.5Å
280	E	81.8	Confident	81.9	Confident	89 Å²	89	87.7 Å²	87.7	42%	0.416	47%	0.471	S	S	.	.	H	α-helix	trans	-67.7	-40.4	173.4	-73.8	-164.4	179.1	0	0	112.4	V276 E277 E278 K283 R284	V276-E280 PolarHBondContact O-N 2.99Å; E277-E280 PolarHBondContact O-N 3.49Å; E278-E280 VanDerWaalsContact C-N 3.33Å; E278-E280 PolarHBondContact O-N 2.97Å; E280-K283 PolarHBondContact O-N 2.92Å; E280-R284 WeakPolarHBondContact O-CG 3.13Å; E280-R284 PolarHBondContact O-N 3.08Å; E280-R284 VanDerWaalsContact O-N 3.08Å; E280-R284 IonicContact OE2-CZ 3.32Å; E280-R284 IonicContact OE2-NH2 2.85Å; E280-R284 PolarHBondContact OE2-NH2 2.75Å
281	R	78.4	Confident	81.3	Confident	83 Å²	83	86.3 Å²	86.3	31%	0.313	46%	0.457	S	S	.	.	H	α-helix	trans	-58.4	-48.5	174.6	-175	173.6	178.5	-108.9	-2.1	110.3	E277 E278 K283 R284 L285 E294	E277-R281 WeakPolarHBondContact O-CB 3.35Å; E277-R281 PolarHBondContact O-N 3.45Å; E278-R281 WeakPolarHBondContact O-CB 3.37Å; E278-R281 PolarHBondContact O-N 3.13Å; E278-R281 IonicContact OE1-NH1 3.8Å; E278-R281 IonicContact OE2-NH1 3.04Å; R281-K283 VanDerWaalsContact C-N 3.3Å; R281-K283 PolarHBondContact O-N 3.01Å; R281-R284 PolarHBondContact O-N 3.02Å; R281-L285 WeakPolarHBondContact O-CG 3.4Å; R281-L285 PolarHBondContact O-N 3.32Å; R281-L285 VanDerWaalsContact O-N 3.15Å; R281-E294 IonicContact CZ-OE1 2.9Å; R281-E294 VanDerWaalsContact CZ-OE1 3.27Å; R281-E294 IonicContact NE-OE1 3.59Å; R281-E294 PolarHBondContact NE-OE1 3.26Å; R281-E294 IonicContact NH2-OE1 3.1Å; R281-E294 PolarHBondContact NH2-OE1 3.46Å; R281-E294 IonicContact NH2-OE2 2.86Å; R281-E294 PolarHBondContact NH2-OE2 3.3Å
282	Q	80.3	Confident	80.6	Confident	110 Å²	110	82.5 Å²	82.5	51%	0.514	44%	0.443	S	S	.	.	H	α-helix	trans	-58.1	-39.3	175.8	-69	-68.5	-26.7	0	0	112.5	E278 R284 L285	E278-Q282 WeakPolarHBondContact O-CB 3.5Å; E278-Q282 WeakPolarHBondContact O-CG 3.48Å; E278-Q282 PolarHBondContact O-N 3.5Å; E278-Q282 PolarHBondContact OE1-NE2 3.23Å; Q282-R284 VanDerWaalsContact C-N 3.29Å; Q282-R284 PolarHBondContact O-N 3.4Å; Q282-L285 VanDerWaalsContact OE1-CD1 3.27Å
283	K	81.4	Confident	80.3	Confident	152 Å²	152	83.6 Å²	83.6	66%	0.661	44%	0.443	S	S	*	.	H	α-helix	trans	-69.2	-23.8	175.5	-72.9	170.8	-172.1	163.6	0	113.6	E279 E280 R281	E279-K283 WeakPolarHBondContact O-CG 3.45Å; E279-K283 PolarHBondContact O-N 2.84Å; E279-K283 VanDerWaalsContact O-N 3.12Å; E279-K283 VanDerWaalsContact OE1-CE 3.31Å; E279-K283 WeakPolarHBondContact OE1-CE 3.42Å; E279-K283 IonicContact OE1-NZ 2.8Å; E279-K283 PolarHBondContact OE1-NZ 3.5Å; E280-K283 PolarHBondContact O-N 2.92Å; R281-K283 VanDerWaalsContact C-N 3.3Å; R281-K283 PolarHBondContact O-N 3.01Å
284	R	77.6	Confident	80.1	Confident	135 Å²	135	82.3 Å²	82.3	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-91.5	-11.4	-179.3	-67	167.8	-165.2	-154.3	8.7	113.6	E280 R281 Q282 G286 P292	E280-R284 WeakPolarHBondContact O-CG 3.13Å; E280-R284 PolarHBondContact O-N 3.08Å; E280-R284 VanDerWaalsContact O-N 3.08Å; E280-R284 IonicContact OE2-CZ 3.32Å; E280-R284 IonicContact OE2-NH2 2.85Å; E280-R284 PolarHBondContact OE2-NH2 2.75Å; R281-R284 PolarHBondContact O-N 3.02Å; Q282-R284 VanDerWaalsContact C-N 3.29Å; Q282-R284 PolarHBondContact O-N 3.4Å; R284-G286 PolarHBondContact O-N 3.49Å; R284-P292 WeakPolarHBondContact O-CD 3.3Å
285	L	77	Confident	79.7	Confident	50 Å²	50	75.6 Å²	75.6	26%	0.262	41%	0.407	S	S	.	.			trans	-57.6	131.8	-178.8	-68.3	175.4	0	0	0	111.2	R281 Q282 D291	R281-L285 WeakPolarHBondContact O-CG 3.4Å; R281-L285 PolarHBondContact O-N 3.32Å; R281-L285 VanDerWaalsContact O-N 3.15Å; Q282-L285 VanDerWaalsContact OE1-CD1 3.27Å; L285-D291 HydrophobicContact CD2-CB 4.32Å
286	G	73.9	Confident	79.4	Confident	16 Å²	16	75.1 Å²	75.1	17%	0.165	39%	0.392	C	S	.	.			trans	-69.7	175.5	173.9	0	0	0	0	0	113	R284 G288 G289 L290 D336	R284-G286 PolarHBondContact O-N 3.49Å; G286-G288 PolarHBondContact O-N 3.03Å; G286-G289 PolarHBondContact O-N 3.4Å; G286-L290 PolarHBondContact N-O 3.4Å; G286-D336 CarbonylContact C-O 3.29Å; G286-D336 VanDerWaalsContact C-O 3.29Å; G286-D336 WeakPolarHBondContact CA-O 3.4Å
287	P	77.7	Confident	79.3	Confident	119 Å²	119	76.6 Å²	76.6	77%	0.773	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.1	-176.6	24.1	-34.4	0	0	0	114.6
288	G	73.4	Confident	79.4	Confident	40 Å²	40	72.6 Å²	72.6	41%	0.412	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	14.2	174.9	0	0	0	0	0	114.6	G286 L290 D336	G286-G288 PolarHBondContact O-N 3.03Å; G288-L290 VanDerWaalsContact C-N 3.3Å; G288-L290 PolarHBondContact O-N 2.94Å; G288-D336 VanDerWaalsContact CA-O 3.32Å; G288-D336 WeakPolarHBondContact CA-O 3.44Å; G288-D336 PolarHBondContact N-O 3.32Å
289	G	76.2	Confident	79.4	Confident	46 Å²	46	69.1 Å²	69.1	47%	0.474	37%	0.368	S	S	.	.	S	Bend	trans	73.1	19.2	175.6	0	0	0	0	0	114.6	G286	G286-G289 PolarHBondContact O-N 3.4Å
290	L	77.5	Confident	79.4	Confident	57 Å²	57	65.9 Å²	65.9	30%	0.298	36%	0.357	S	S	.	.			trans	-103.1	139.9	172.8	-63.4	-178.3	0	0	0	110.5	G286 G288 P292 V295 R333 D336 S337	G286-L290 PolarHBondContact N-O 3.4Å; G288-L290 VanDerWaalsContact C-N 3.3Å; G288-L290 PolarHBondContact O-N 2.94Å; L290-P292 WeakPolarHBondContact O-CD 3.28Å; L290-V295 HydrophobicContact CB-CG2 3.82Å; L290-V295 HydrophobicContact CD1-CG2 3.99Å; L290-V295 HydrophobicContact CG-CG2 4.46Å; L290-R333 HydrophobicContact CD1-CB 4.13Å; L290-R333 HydrophobicContact CD1-CG 4.2Å; L290-D336 HydrophobicContact CD1-CB 3.75Å; L290-D336 HydrophobicContact CG-CB 4.19Å; L290-S337 WeakPolarHBondContact O-CA 3.33Å
291	D	79.7	Confident	79.5	Confident	14 Å²	14	64.7 Å²	64.7	8%	0.075	36%	0.362	C	S	.	.			trans	-74.3	123.8	173.5	-172.8	-31	0	0	0	109.7	L285 V293 E294 V295	L285-D291 HydrophobicContact CD2-CB 4.32Å; D291-V293 PolarHBondContact O-N 3.01Å; D291-V293 VanDerWaalsContact O-N 3.16Å; D291-V293 WeakPolarHBondContact OD1-CB 3.46Å; D291-V293 PolarHBondContact OD1-N 2.97Å; D291-E294 HydrophobicContact CB-CB 4.11Å; D291-E294 HydrophobicContact CB-CG 3.9Å; D291-E294 PolarHBondContact O-N 3.32Å; D291-V295 WeakPolarHBondContact O-CG2 3.4Å; D291-V295 PolarHBondContact O-N 2.97Å
292	P	75.5	Confident	79.5	Confident	37 Å²	37	64.4 Å²	64.4	24%	0.24	36%	0.364	C	S	.	.	H	α-helix	trans	-51.8	-33.7	175.7	-15.5	17.8	0	0	0	114.3	R284 L290 Y296 S337 L339	R284-P292 WeakPolarHBondContact O-CD 3.3Å; L290-P292 WeakPolarHBondContact O-CD 3.28Å; P292-Y296 VanDerWaalsContact O-CB 3.31Å; P292-Y296 WeakPolarHBondContact O-CB 3.49Å; P292-Y296 PolarHBondContact O-N 3.21Å; P292-S337 VanDerWaalsContact CG-O 3.3Å; P292-S337 WeakPolarHBondContact CG-O 3.37Å; P292-L339 HydrophobicContact CB-CD2 4.45Å; P292-L339 HydrophobicContact CB-CG 4.28Å
293	V	80.9	Confident	79.2	Confident	77 Å²	77	59.4 Å²	59.4	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-75.1	-47.2	-178	-176.8	0	0	0	0	110.9	D291 V295 Y296 D297	D291-V293 PolarHBondContact O-N 3.01Å; D291-V293 VanDerWaalsContact O-N 3.16Å; D291-V293 WeakPolarHBondContact OD1-CB 3.46Å; D291-V293 PolarHBondContact OD1-N 2.97Å; V293-V295 VanDerWaalsContact C-N 3.28Å; V293-V295 PolarHBondContact O-N 3.45Å; V293-Y296 PolarHBondContact O-N 3.04Å; V293-D297 PolarHBondContact O-N 2.82Å
294	E	81.3	Confident	79.2	Confident	95 Å²	95	53.8 Å²	53.8	44%	0.444	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-40.2	176.7	-66.2	179.8	-171.9	0	0	111.2	R281 D291 S298	R281-E294 IonicContact CZ-OE1 2.9Å; R281-E294 VanDerWaalsContact CZ-OE1 3.27Å; R281-E294 IonicContact NE-OE1 3.59Å; R281-E294 PolarHBondContact NE-OE1 3.26Å; R281-E294 IonicContact NH2-OE1 3.1Å; R281-E294 PolarHBondContact NH2-OE1 3.46Å; R281-E294 IonicContact NH2-OE2 2.86Å; R281-E294 PolarHBondContact NH2-OE2 3.3Å; D291-E294 HydrophobicContact CB-CB 4.11Å; D291-E294 HydrophobicContact CB-CG 3.9Å; D291-E294 PolarHBondContact O-N 3.32Å; E294-S298 WeakPolarHBondContact O-CB 3.49Å; E294-S298 PolarHBondContact O-N 3.39Å; E294-S298 PolarHBondContact O-OG 3.48Å
295	V	80.4	Confident	79.2	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-49	175.6	176.4	0	0	0	0	109.9	L290 D291 V293 D297 S298 L299 R333 L339	L290-V295 HydrophobicContact CB-CG2 3.82Å; L290-V295 HydrophobicContact CD1-CG2 3.99Å; L290-V295 HydrophobicContact CG-CG2 4.46Å; D291-V295 WeakPolarHBondContact O-CG2 3.4Å; D291-V295 PolarHBondContact O-N 2.97Å; V293-V295 VanDerWaalsContact C-N 3.28Å; V293-V295 PolarHBondContact O-N 3.45Å; V295-D297 PolarHBondContact O-N 2.94Å; V295-S298 PolarHBondContact O-N 3.26Å; V295-S298 VanDerWaalsContact O-N 3.14Å; V295-S298 PolarHBondContact O-OG 2.87Å; V295-L299 WeakPolarHBondContact O-CG 2.97Å; V295-L299 PolarHBondContact O-N 2.97Å; V295-R333 HydrophobicContact CG1-CB 4.12Å; V295-L339 HydrophobicContact CB-CD1 3.92Å; V295-L339 HydrophobicContact CG1-CD1 3.66Å
296	Y	80.6	Confident	79.1	Confident	52 Å²	52	50.2 Å²	50.2	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-55.3	-46.2	179.5	-178.2	-99.4	0	0	0	113.5	P292 V293 S298 L299 Q304 F307 R308	P292-Y296 VanDerWaalsContact O-CB 3.31Å; P292-Y296 WeakPolarHBondContact O-CB 3.49Å; P292-Y296 PolarHBondContact O-N 3.21Å; V293-Y296 PolarHBondContact O-N 3.04Å; Y296-S298 VanDerWaalsContact C-N 3.29Å; Y296-S298 PolarHBondContact O-N 2.99Å; Y296-L299 WeakPolarHBondContact O-CB 3.34Å; Y296-L299 PolarHBondContact O-N 2.86Å; Y296-Q304 HydrophobicContact CE2-CB 4.27Å; Y296-Q304 HydrophobicContact CE2-CG 4.32Å; Y296-Q304 PolarHBondContact O-NE2 2.91Å; Y296-F307 HydrophobicContact CE2-CB 4.12Å; Y296-R308 VanDerWaalsContact OH-CG 3.26Å; Y296-R308 WeakPolarHBondContact OH-CG 3.34Å; Y296-R308 PolarHBondContact OH-NE 3.04Å
297	D	84.1	Confident	79.1	Confident	111 Å²	111	51.7 Å²	51.7	59%	0.594	31%	0.307	S	S	*	.	H	α-helix	trans	-69.6	-28	-178.8	-73	-19.6	0	0	0	112.8	V293 V295 L299 Q304	V293-D297 PolarHBondContact O-N 2.82Å; V295-D297 PolarHBondContact O-N 2.94Å; D297-L299 VanDerWaalsContact C-N 3.33Å; D297-Q304 PolarHBondContact O-NE2 3.48Å
298	S	84.2	Confident	79.1	Confident	51 Å²	51	54.4 Å²	54.4	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-83.6	-5.6	176.2	75	0	0	0	0	114.5	E294 V295 Y296 R333	E294-S298 WeakPolarHBondContact O-CB 3.49Å; E294-S298 PolarHBondContact O-N 3.39Å; E294-S298 PolarHBondContact O-OG 3.48Å; V295-S298 PolarHBondContact O-N 3.26Å; V295-S298 VanDerWaalsContact O-N 3.14Å; V295-S298 PolarHBondContact O-OG 2.87Å; Y296-S298 VanDerWaalsContact C-N 3.29Å; Y296-S298 PolarHBondContact O-N 2.99Å; S298-R333 PolarHBondContact OG-NH2 3.27Å
299	L	83.3	Confident	79.2	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.037	30%	0.303	C	S	.	.	S	Bend	trans	-75.8	143.7	177.5	-71.6	172.3	0	0	0	111	V295 Y296 D297 L303 Q304 F307 H330 L339	V295-L299 WeakPolarHBondContact O-CG 2.97Å; V295-L299 PolarHBondContact O-N 2.97Å; Y296-L299 WeakPolarHBondContact O-CB 3.34Å; Y296-L299 PolarHBondContact O-N 2.86Å; D297-L299 VanDerWaalsContact C-N 3.33Å; L299-L303 HydrophobicContact CB-CB 4.21Å; L299-L303 HydrophobicContact CD2-CB 4.49Å; L299-L303 HydrophobicContact CD2-CD1 4.14Å; L299-Q304 HydrophobicContact CB-CG 3.94Å; L299-Q304 PolarHBondContact O-NE2 3.22Å; L299-F307 HydrophobicContact CD1-CD2 3.73Å; L299-F307 HydrophobicContact CD1-CE2 3.58Å; L299-H330 HydrophobicContact CD2-CB 3.98Å; L299-L339 HydrophobicContact CD1-CD1 4.48Å
300	P	83.4	Confident	78.9	Confident	39 Å²	39	64.3 Å²	64.3	25%	0.253	32%	0.322	S	S	.	.			trans	-50.4	144.8	167.3	-26.9	33.2	0	0	0	112.3	E302 L303 Q304 M322	P300-E302 PolarHBondContact O-N 3.37Å; P300-E302 VanDerWaalsContact O-N 3.07Å; P300-L303 HydrophobicContact CG-CD1 4.28Å; P300-L303 WeakPolarHBondContact O-CA 3.33Å; P300-L303 PolarHBondContact O-N 2.73Å; P300-Q304 PolarHBondContact O-N 3.04Å; P300-M322 HydrophobicContact CB-SD 4.4Å; P300-M322 HydrophobicContact CG-CE 4.28Å; P300-M322 HydrophobicContact CG-SD 4.11Å
301	A	82.3	Confident	78.6	Confident	64 Å²	64	63.2 Å²	63.2	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-52.6	-35.7	-178.7	0	0	0	0	0	112.7	Q304 E305	A301-Q304 PolarHBondContact O-N 2.99Å; A301-E305 WeakPolarHBondContact O-CB 3.35Å; A301-E305 WeakPolarHBondContact O-CG 3.36Å; A301-E305 PolarHBondContact O-N 3.35Å
302	E	78	Confident	78.1	Confident	76 Å²	76	68.6 Å²	68.6	36%	0.355	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-41	176.8	-53.2	-166.9	154.3	0	0	112.3	P300 E305 C306 V318	P300-E302 PolarHBondContact O-N 3.37Å; P300-E302 VanDerWaalsContact O-N 3.07Å; E302-E305 PolarHBondContact O-N 2.74Å; E302-C306 PolarHBondContact O-N 3.05Å; E302-C306 PolarHBondContact O-SG 3.23Å; E302-V318 HydrophobicContact CB-CG1 4.14Å; E302-V318 HydrophobicContact CB-CG2 3.72Å
303	L	75.7	Confident	77.9	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-72.4	-38.2	174.8	-76.6	173.9	0	0	0	111.6	L299 P300 E305 C306 F307 V318 M322 F327 H330	L299-L303 HydrophobicContact CB-CB 4.21Å; L299-L303 HydrophobicContact CD2-CB 4.49Å; L299-L303 HydrophobicContact CD2-CD1 4.14Å; P300-L303 HydrophobicContact CG-CD1 4.28Å; P300-L303 WeakPolarHBondContact O-CA 3.33Å; P300-L303 PolarHBondContact O-N 2.73Å; L303-E305 VanDerWaalsContact C-N 3.28Å; L303-E305 PolarHBondContact O-N 2.9Å; L303-C306 WeakPolarHBondContact O-CB 3.49Å; L303-C306 PolarHBondContact O-N 3.27Å; L303-C306 VanDerWaalsContact O-N 3.13Å; L303-F307 WeakPolarHBondContact O-CD2 3.47Å; L303-F307 PolarHBondContact O-N 3.28Å; L303-V318 HydrophobicContact CD2-CG1 3.86Å; L303-V318 HydrophobicContact CG-CG1 3.93Å; L303-M322 HydrophobicContact CD1-CE 3.68Å; L303-M322 HydrophobicContact CG-CE 4.3Å; L303-F327 HydrophobicContact CD2-CE2 4.31Å; L303-H330 HydrophobicContact CD1-CB 3.78Å
304	Q	80	Confident	77.4	Confident	35 Å²	35	69.6 Å²	69.6	16%	0.164	35%	0.347	C	S	.	.	H	α-helix	trans	-59.2	-40.2	173.1	-68.6	-179.8	-5.9	0	0	111.7	Y296 D297 L299 P300 A301 F307 R308	Y296-Q304 HydrophobicContact CE2-CB 4.27Å; Y296-Q304 HydrophobicContact CE2-CG 4.32Å; Y296-Q304 PolarHBondContact O-NE2 2.91Å; D297-Q304 PolarHBondContact O-NE2 3.48Å; L299-Q304 HydrophobicContact CB-CG 3.94Å; L299-Q304 PolarHBondContact O-NE2 3.22Å; P300-Q304 PolarHBondContact O-N 3.04Å; A301-Q304 PolarHBondContact O-N 2.99Å; Q304-F307 PolarHBondContact O-N 3.49Å; Q304-R308 WeakPolarHBondContact O-CB 3.43Å; Q304-R308 VanDerWaalsContact O-CG 3.31Å; Q304-R308 WeakPolarHBondContact O-CG 3.44Å; Q304-R308 PolarHBondContact O-N 3.39Å
305	E	77.6	Confident	76.8	Confident	105 Å²	105	66 Å²	66	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-67.4	-36.4	174.1	-76.9	-177	-178.2	0	0	112.4	A301 E302 L303 R308 S309	A301-E305 WeakPolarHBondContact O-CB 3.35Å; A301-E305 WeakPolarHBondContact O-CG 3.36Å; A301-E305 PolarHBondContact O-N 3.35Å; E302-E305 PolarHBondContact O-N 2.74Å; L303-E305 VanDerWaalsContact C-N 3.28Å; L303-E305 PolarHBondContact O-N 2.9Å; E305-R308 PolarHBondContact O-N 2.78Å; E305-S309 VanDerWaalsContact O-CB 3.24Å; E305-S309 WeakPolarHBondContact O-CB 3.45Å; E305-S309 PolarHBondContact O-N 3.46Å; E305-S309 PolarHBondContact O-OG 3.18Å
306	C	75.9	Confident	76.5	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.034	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-45.7	171.7	-68.8	0	0	0	0	111.9	E302 L303 S309 R310 S311 M314 L315	E302-C306 PolarHBondContact O-N 3.05Å; E302-C306 PolarHBondContact O-SG 3.23Å; L303-C306 WeakPolarHBondContact O-CB 3.49Å; L303-C306 PolarHBondContact O-N 3.27Å; L303-C306 VanDerWaalsContact O-N 3.13Å; C306-S309 PolarHBondContact O-OG 3.41Å; C306-R310 PolarHBondContact O-N 2.96Å; C306-R310 VanDerWaalsContact O-N 3.09Å; C306-S311 PolarHBondContact O-N 3.19Å; C306-M314 HydrophobicContact CB-CB 4.47Å; C306-M314 WeakPolarHBondContact SG-CB 3.44Å; C306-L315 HydrophobicContact CB-CD1 4.39Å
307	F	73.9	Confident	76.2	Confident	47 Å²	47	71.7 Å²	71.7	21%	0.206	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-36.6	177	-74	-70.7	0	0	0	112.6	Y296 L299 L303 Q304 C334 L339 W340	Y296-F307 HydrophobicContact CE2-CB 4.12Å; L299-F307 HydrophobicContact CD1-CD2 3.73Å; L299-F307 HydrophobicContact CD1-CE2 3.58Å; L303-F307 WeakPolarHBondContact O-CD2 3.47Å; L303-F307 PolarHBondContact O-N 3.28Å; Q304-F307 PolarHBondContact O-N 3.49Å; F307-C334 HydrophobicContact CZ-CB 4.03Å; F307-C334 VanDerWaalsContact CZ-SG 3.59Å; F307-L339 HydrophobicContact CE1-CB 4.34Å; F307-W340 HydrophobicContact CE1-CB 4.48Å
308	R	78.1	Confident	75.6	Confident	175 Å²	175	66.7 Å²	66.7	66%	0.66	33%	0.331	S	S	*	.	H	α-helix	trans	-64.4	-44.6	173.8	-77.6	177.5	-177.7	173.8	5.5	112.5	Y296 Q304 E305 R310	Y296-R308 VanDerWaalsContact OH-CG 3.26Å; Y296-R308 WeakPolarHBondContact OH-CG 3.34Å; Y296-R308 PolarHBondContact OH-NE 3.04Å; Q304-R308 WeakPolarHBondContact O-CB 3.43Å; Q304-R308 VanDerWaalsContact O-CG 3.31Å; Q304-R308 WeakPolarHBondContact O-CG 3.44Å; Q304-R308 PolarHBondContact O-N 3.39Å; E305-R308 PolarHBondContact O-N 2.78Å; R308-R310 VanDerWaalsContact C-N 3.3Å; R308-R310 PolarHBondContact O-N 2.96Å
309	S	75.3	Confident	75.2	Confident	61 Å²	61	65.7 Å²	65.7	43%	0.427	33%	0.326	S	S	.	.	H	α-helix	trans	-81.3	-7.9	-176.5	62	0	0	0	0	113.7	E305 C306 S311	E305-S309 VanDerWaalsContact O-CB 3.24Å; E305-S309 WeakPolarHBondContact O-CB 3.45Å; E305-S309 PolarHBondContact O-N 3.46Å; E305-S309 PolarHBondContact O-OG 3.18Å; C306-S309 PolarHBondContact O-OG 3.41Å; S309-S311 PolarHBondContact O-N 2.84Å; S309-S311 WeakPolarHBondContact OG-CB 3.33Å
310	R	70.2	Confident	74.8	Confident	233 Å²	233	73.2 Å²	73.2	88%	0.879	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	28.8	-173.7	-63.4	-176.2	174.9	-175.1	-2	113.1	C306 R308	C306-R310 PolarHBondContact O-N 2.96Å; C306-R310 VanDerWaalsContact O-N 3.09Å; R308-R310 VanDerWaalsContact C-N 3.3Å; R308-R310 PolarHBondContact O-N 2.96Å
311	S	71.2	Confident	74.3	Confident	35 Å²	35	78 Å²	78	25%	0.245	38%	0.378	C	S	.	.			trans	-102	104.5	-169.3	-176.4	0	0	0	0	111.1	C306 S309 S313 M314 L315	C306-S311 PolarHBondContact O-N 3.19Å; S309-S311 PolarHBondContact O-N 2.84Å; S309-S311 WeakPolarHBondContact OG-CB 3.33Å; S311-S313 PolarHBondContact O-N 3.44Å; S311-S313 PolarHBondContact OG-OG 2.93Å; S311-M314 PolarHBondContact O-N 3.44Å; S311-M314 VanDerWaalsContact O-N 3.16Å; S311-L315 PolarHBondContact O-N 3.42Å
312	K	68	Low	73.6	Confident	127 Å²	127	76.8 Å²	76.8	55%	0.552	36%	0.361	S	S	*	.	H	α-helix	trans	-56.9	-28.3	173.5	-69.8	-166.9	172.6	-156.9	0	112.4	L315 K316 D346	K312-L315 PolarHBondContact O-N 3.13Å; K312-K316 PolarHBondContact O-N 3.44Å; K312-D346 IonicContact NZ-OD1 3.24Å; K312-D346 PolarHBondContact NZ-OD1 3.04Å; K312-D346 IonicContact NZ-OD2 3.75Å
313	S	70.8	Confident	73.6	Confident	71 Å²	71	75.8 Å²	75.8	50%	0.497	36%	0.363	S	S	.	.	H	α-helix	trans	-74.1	-32.7	179.2	58.3	0	0	0	0	113	S311 L315 K316 Q317	S311-S313 PolarHBondContact O-N 3.44Å; S311-S313 PolarHBondContact OG-OG 2.93Å; S313-L315 VanDerWaalsContact C-N 3.3Å; S313-K316 PolarHBondContact O-N 3.21Å; S313-Q317 WeakPolarHBondContact O-CG 3.37Å; S313-Q317 PolarHBondContact O-N 3.3Å
314	M	70.3	Confident	73.6	Confident	64 Å²	64	82.9 Å²	82.9	32%	0.315	40%	0.396	S	S	.	.	H	α-helix	trans	-67.4	-35.8	173.9	-66.5	-74.7	-79.9	0	0	110.6	C306 S311 K316 Q317 V318	C306-M314 HydrophobicContact CB-CB 4.47Å; C306-M314 WeakPolarHBondContact SG-CB 3.44Å; S311-M314 PolarHBondContact O-N 3.44Å; S311-M314 VanDerWaalsContact O-N 3.16Å; M314-K316 VanDerWaalsContact C-N 3.32Å; M314-K316 PolarHBondContact O-N 3.03Å; M314-Q317 WeakPolarHBondContact O-CB 3.32Å; M314-Q317 PolarHBondContact O-N 2.97Å; M314-Q317 VanDerWaalsContact O-N 3.14Å; M314-V318 WeakPolarHBondContact O-CG2 3.3Å; M314-V318 PolarHBondContact O-N 3.23Å
315	L	70.2	Confident	73.5	Confident	20 Å²	20	88.5 Å²	88.5	11%	0.105	42%	0.422	C	S	.	.	H	α-helix	trans	-64.4	-36.4	178.2	-157.1	131.6	0	0	0	112.2	C306 S311 K312 S313 V318 A319 F327 F350	C306-L315 HydrophobicContact CB-CD1 4.39Å; S311-L315 PolarHBondContact O-N 3.42Å; K312-L315 PolarHBondContact O-N 3.13Å; S313-L315 VanDerWaalsContact C-N 3.3Å; L315-V318 PolarHBondContact O-N 3.37Å; L315-A319 WeakPolarHBondContact O-CB 3.25Å; L315-A319 PolarHBondContact O-N 3.07Å; L315-F327 HydrophobicContact CD2-CE2 4.21Å; L315-F327 HydrophobicContact CD2-CZ 3.7Å; L315-F327 HydrophobicContact CG-CE2 4.43Å; L315-F327 HydrophobicContact CG-CZ 4.4Å; L315-F350 HydrophobicContact CD2-CZ 3.97Å
316	K	72.7	Confident	73.5	Confident	81 Å²	81	88.6 Å²	88.6	35%	0.352	42%	0.423	S	S	.	.	H	α-helix	trans	-65.1	-42.3	171.3	-68.2	-174.2	-179.2	-172.2	0	111.9	K312 S313 M314 V318 A319 E320 E349 F350	K312-K316 PolarHBondContact O-N 3.44Å; S313-K316 PolarHBondContact O-N 3.21Å; M314-K316 VanDerWaalsContact C-N 3.32Å; M314-K316 PolarHBondContact O-N 3.03Å; K316-V318 VanDerWaalsContact C-N 3.33Å; K316-V318 PolarHBondContact O-N 3.37Å; K316-A319 WeakPolarHBondContact O-CB 3.41Å; K316-A319 PolarHBondContact O-N 2.89Å; K316-E320 PolarHBondContact O-N 3.04Å; K316-E320 VanDerWaalsContact O-N 3.13Å; K316-E349 IonicContact NZ-OE2 2.64Å; K316-E349 PolarHBondContact NZ-OE2 3.01Å; K316-F350 HydrophobicContact CD-CZ 4.39Å; K316-F350 HydrophobicContact CG-CE1 3.75Å; K316-F350 HydrophobicContact CG-CZ 3.61Å
317	Q	76.2	Confident	73.8	Confident	93 Å²	93	89.2 Å²	89.2	44%	0.435	43%	0.425	S	S	.	.	H	α-helix	trans	-66	-33.6	176.6	-68.4	175.9	7.6	0	0	113.1	S313 M314 E320 K321	S313-Q317 WeakPolarHBondContact O-CG 3.37Å; S313-Q317 PolarHBondContact O-N 3.3Å; M314-Q317 WeakPolarHBondContact O-CB 3.32Å; M314-Q317 PolarHBondContact O-N 2.97Å; M314-Q317 VanDerWaalsContact O-N 3.14Å; Q317-E320 PolarHBondContact O-N 2.82Å; Q317-K321 WeakPolarHBondContact O-CG 3.34Å; Q317-K321 PolarHBondContact O-N 3.49Å
318	V	70.8	Confident	74.2	Confident	7 Å²	7	90.4 Å²	90.4	4%	0.042	44%	0.436	C	S	.	.	H	α-helix	trans	-74.9	-34.7	175.9	176.1	0	0	0	0	111.2	E302 L303 M314 L315 K316 E320 K321 M322	E302-V318 HydrophobicContact CB-CG1 4.14Å; E302-V318 HydrophobicContact CB-CG2 3.72Å; L303-V318 HydrophobicContact CD2-CG1 3.86Å; L303-V318 HydrophobicContact CG-CG1 3.93Å; M314-V318 WeakPolarHBondContact O-CG2 3.3Å; M314-V318 PolarHBondContact O-N 3.23Å; L315-V318 PolarHBondContact O-N 3.37Å; K316-V318 VanDerWaalsContact C-N 3.33Å; K316-V318 PolarHBondContact O-N 3.37Å; V318-E320 VanDerWaalsContact C-N 3.25Å; V318-E320 PolarHBondContact O-N 2.82Å; V318-K321 PolarHBondContact O-N 3.02Å; V318-K321 VanDerWaalsContact O-N 3.15Å; V318-M322 HydrophobicContact CG1-CE 4.2Å; V318-M322 HydrophobicContact CG1-CG 4.22Å; V318-M322 PolarHBondContact O-N 2.82Å
319	A	74.5	Confident	74.5	Confident	29 Å²	29	85.9 Å²	85.9	24%	0.24	43%	0.428	C	S	.	.	H	α-helix	trans	-61.7	-32.8	171.7	0	0	0	0	0	112.6	L315 K316 F327 F350	L315-A319 WeakPolarHBondContact O-CB 3.25Å; L315-A319 PolarHBondContact O-N 3.07Å; K316-A319 WeakPolarHBondContact O-CB 3.41Å; K316-A319 PolarHBondContact O-N 2.89Å; A319-F327 HydrophobicContact CB-CD1 4.26Å; A319-F327 HydrophobicContact CB-CD2 4.07Å; A319-F327 HydrophobicContact CB-CE1 3.99Å; A319-F327 HydrophobicContact CB-CE2 3.79Å; A319-F327 HydrophobicContact CB-CG 4.3Å; A319-F327 HydrophobicContact CB-CZ 3.75Å; A319-F350 HydrophobicContact CB-CE1 4.49Å
320	E	74.9	Confident	74.8	Confident	166 Å²	166	84.6 Å²	84.6	78%	0.776	42%	0.415	S	S	*	.	H	α-helix	trans	-76	-22.7	175.1	-71.6	174.3	-178.7	0	0	113.7	K316 Q317 V318	K316-E320 PolarHBondContact O-N 3.04Å; K316-E320 VanDerWaalsContact O-N 3.13Å; Q317-E320 PolarHBondContact O-N 2.82Å; V318-E320 VanDerWaalsContact C-N 3.25Å; V318-E320 PolarHBondContact O-N 2.82Å
321	K	74.6	Confident	75.4	Confident	140 Å²	140	75 Å²	75	61%	0.609	38%	0.381	S	S	*	.	H	α-helix	trans	-93.2	-33.5	-176.9	-74.6	177.5	-177.6	-179.6	0	113.9	Q317 V318	Q317-K321 WeakPolarHBondContact O-CG 3.34Å; Q317-K321 PolarHBondContact O-N 3.49Å; V318-K321 PolarHBondContact O-N 3.02Å; V318-K321 VanDerWaalsContact O-N 3.15Å
322	M	67.3	Low	75.8	Confident	37 Å²	37	78 Å²	78	18%	0.182	39%	0.392	C	S	.	.	S	Bend	trans	-93.5	161.4	-179.9	-61.8	-147.7	-55.9	0	0	111.5	P300 L303 V318 F327	P300-M322 HydrophobicContact CB-SD 4.4Å; P300-M322 HydrophobicContact CG-CE 4.28Å; P300-M322 HydrophobicContact CG-SD 4.11Å; L303-M322 HydrophobicContact CD1-CE 3.68Å; L303-M322 HydrophobicContact CG-CE 4.3Å; V318-M322 HydrophobicContact CG1-CE 4.2Å; V318-M322 HydrophobicContact CG1-CG 4.22Å; V318-M322 PolarHBondContact O-N 2.82Å; M322-F327 HydrophobicContact CE-CD2 4.48Å
323	S	76.6	Confident	76.5	Confident	56 Å²	56	75.7 Å²	75.7	39%	0.392	38%	0.379	S	S	.	.			trans	-66.6	144.3	173.2	70.2	0	0	0	0	110.6	Q325 E326 F327	S323-Q325 PolarHBondContact O-N 2.97Å; S323-Q325 VanDerWaalsContact O-N 3.15Å; S323-E326 PolarHBondContact O-N 3.28Å; S323-E326 VanDerWaalsContact O-N 3.13Å; S323-E326 WeakPolarHBondContact OG-CB 3.32Å; S323-E326 WeakPolarHBondContact OG-CG 3.42Å; S323-E326 PolarHBondContact OG-N 3.49Å; S323-E326 PolarHBondContact OG-OE2 3.34Å; S323-F327 PolarHBondContact O-N 3.1Å
324	E	75.9	Confident	77	Confident	153 Å²	153	72.4 Å²	72.4	72%	0.715	36%	0.356	S	S	*	.	H	α-helix	trans	-55.4	-34.6	-179.1	-171.3	179.8	177.4	0	0	112.4	T328	E324-T328 WeakPolarHBondContact O-CB 3.48Å; E324-T328 VanDerWaalsContact O-CG2 3.24Å; E324-T328 WeakPolarHBondContact O-CG2 3.39Å; E324-T328 PolarHBondContact O-N 2.97Å; E324-T328 PolarHBondContact O-OG1 3.46Å
325	Q	78.4	Confident	77.5	Confident	154 Å²	154	71.3 Å²	71.3	72%	0.72	35%	0.351	S	S	*	.	H	α-helix	trans	-71.6	-41.8	178.6	-65.4	-178.3	-6.8	0	0	112.9	S323 T328 T329	S323-Q325 PolarHBondContact O-N 2.97Å; S323-Q325 VanDerWaalsContact O-N 3.15Å; Q325-T328 WeakPolarHBondContact CA-OG1 3.41Å; Q325-T328 PolarHBondContact O-OG1 3.29Å; Q325-T329 WeakPolarHBondContact O-CB 3.48Å; Q325-T329 PolarHBondContact O-N 3.35Å; Q325-T329 VanDerWaalsContact O-N 3.1Å; Q325-T329 PolarHBondContact O-OG1 3.13Å
326	E	78.9	Confident	78	Confident	106 Å²	106	72.6 Å²	72.6	50%	0.495	36%	0.358	S	S	.	.	H	α-helix	trans	-68.8	-42.1	176.6	-72.1	166.6	154	0	0	110.8	S323 T329 H330	S323-E326 PolarHBondContact O-N 3.28Å; S323-E326 VanDerWaalsContact O-N 3.13Å; S323-E326 WeakPolarHBondContact OG-CB 3.32Å; S323-E326 WeakPolarHBondContact OG-CG 3.42Å; S323-E326 PolarHBondContact OG-N 3.49Å; S323-E326 PolarHBondContact OG-OE2 3.34Å; E326-T329 PolarHBondContact O-N 3.06Å; E326-H330 PolarHBondContact O-CD2 2.87Å; E326-H330 PolarHBondContact O-N 3.27Å
327	F	81	Confident	78.3	Confident	18 Å²	18	68.8 Å²	68.8	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-61.9	-50.4	178.1	-177.9	-99.8	0	0	0	111.6	L303 L315 A319 M322 S323 T329 H330 L331	L303-F327 HydrophobicContact CD2-CE2 4.31Å; L315-F327 HydrophobicContact CD2-CE2 4.21Å; L315-F327 HydrophobicContact CD2-CZ 3.7Å; L315-F327 HydrophobicContact CG-CE2 4.43Å; L315-F327 HydrophobicContact CG-CZ 4.4Å; A319-F327 HydrophobicContact CB-CD1 4.26Å; A319-F327 HydrophobicContact CB-CD2 4.07Å; A319-F327 HydrophobicContact CB-CE1 3.99Å; A319-F327 HydrophobicContact CB-CE2 3.79Å; A319-F327 HydrophobicContact CB-CG 4.3Å; A319-F327 HydrophobicContact CB-CZ 3.75Å; M322-F327 HydrophobicContact CE-CD2 4.48Å; S323-F327 PolarHBondContact O-N 3.1Å; F327-T329 VanDerWaalsContact C-N 3.3Å; F327-T329 PolarHBondContact O-N 2.87Å; F327-H330 PolarHBondContact O-N 2.86Å; F327-L331 HydrophobicContact CD1-CD2 4.45Å; F327-L331 HydrophobicContact CE1-CD1 4.4Å; F327-L331 HydrophobicContact CE1-CD2 3.84Å; F327-L331 HydrophobicContact CZ-CD1 4.17Å; F327-L331 HydrophobicContact CZ-CD2 4.43Å; F327-L331 WeakPolarHBondContact O-CB 3.35Å; F327-L331 PolarHBondContact O-N 2.96Å
328	T	81.5	Confident	78.4	Confident	72 Å²	72	66.1 Å²	66.1	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-38.8	176.9	47.3	0	0	0	0	112.6	E324 Q325 L331 Q332	E324-T328 WeakPolarHBondContact O-CB 3.48Å; E324-T328 VanDerWaalsContact O-CG2 3.24Å; E324-T328 WeakPolarHBondContact O-CG2 3.39Å; E324-T328 PolarHBondContact O-N 2.97Å; E324-T328 PolarHBondContact O-OG1 3.46Å; Q325-T328 WeakPolarHBondContact CA-OG1 3.41Å; Q325-T328 PolarHBondContact O-OG1 3.29Å; T328-L331 PolarHBondContact O-N 3.3Å; T328-Q332 WeakPolarHBondContact O-CB 3.28Å; T328-Q332 PolarHBondContact O-N 3.37Å
329	T	85	Confident	78.6	Confident	80 Å²	80	68.1 Å²	68.1	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-47.7	176.2	-56.9	0	0	0	0	111.8	Q325 E326 F327 L331 R333	Q325-T329 WeakPolarHBondContact O-CB 3.48Å; Q325-T329 PolarHBondContact O-N 3.35Å; Q325-T329 VanDerWaalsContact O-N 3.1Å; Q325-T329 PolarHBondContact O-OG1 3.13Å; E326-T329 PolarHBondContact O-N 3.06Å; F327-T329 VanDerWaalsContact C-N 3.3Å; F327-T329 PolarHBondContact O-N 2.87Å; T329-L331 VanDerWaalsContact C-N 3.33Å; T329-R333 WeakPolarHBondContact O-CD 3.45Å; T329-R333 VanDerWaalsContact O-CG 3.23Å; T329-R333 WeakPolarHBondContact O-CG 3.5Å; T329-R333 PolarHBondContact O-N 3.32Å
330	H	82.6	Confident	78.4	Confident	34 Å²	34	69.3 Å²	69.3	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-66.1	-36.8	176.6	-74	-63.6	0	0	0	112	L299 L303 E326 F327 R333 C334	L299-H330 HydrophobicContact CD2-CB 3.98Å; L303-H330 HydrophobicContact CD1-CB 3.78Å; E326-H330 PolarHBondContact O-CD2 2.87Å; E326-H330 PolarHBondContact O-N 3.27Å; F327-H330 PolarHBondContact O-N 2.86Å; H330-R333 PolarHBondContact ND1-NH1 2.89Å; H330-R333 WeakPolarHBondContact O-CB 3.47Å; H330-R333 PolarHBondContact O-N 2.97Å; H330-C334 PolarHBondContact O-N 3.4Å; H330-C334 PolarHBondContact O-SG 3.32Å
331	L	81.9	Confident	78.1	Confident	31 Å²	31	67.6 Å²	67.6	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-45.5	179.5	-162.9	68.5	0	0	0	111.7	F327 T328 T329 R333 C334 I335 W340	F327-L331 HydrophobicContact CD1-CD2 4.45Å; F327-L331 HydrophobicContact CE1-CD1 4.4Å; F327-L331 HydrophobicContact CE1-CD2 3.84Å; F327-L331 HydrophobicContact CZ-CD1 4.17Å; F327-L331 HydrophobicContact CZ-CD2 4.43Å; F327-L331 WeakPolarHBondContact O-CB 3.35Å; F327-L331 PolarHBondContact O-N 2.96Å; T328-L331 PolarHBondContact O-N 3.3Å; T329-L331 VanDerWaalsContact C-N 3.33Å; L331-R333 VanDerWaalsContact C-N 3.31Å; L331-R333 PolarHBondContact O-N 3.41Å; L331-C334 WeakPolarHBondContact O-CB 3.35Å; L331-C334 PolarHBondContact O-N 2.97Å; L331-C334 VanDerWaalsContact O-N 3.11Å; L331-I335 WeakPolarHBondContact O-CG1 3.27Å; L331-I335 PolarHBondContact O-N 2.91Å; L331-W340 HydrophobicContact CD1-CD2 4.16Å; L331-W340 HydrophobicContact CD1-CE3 3.27Å; L331-W340 HydrophobicContact CD1-CH2 3.82Å; L331-W340 HydrophobicContact CD1-CZ3 3.13Å; L331-W340 HydrophobicContact CD2-CE3 4.32Å; L331-W340 HydrophobicContact CD2-CH2 3.96Å; L331-W340 HydrophobicContact CD2-CZ3 3.42Å; L331-W340 VanDerWaalsContact CD2-CZ3 3.42Å; L331-W340 HydrophobicContact CG-CE3 3.6Å; L331-W340 HydrophobicContact CG-CH2 4.12Å; L331-W340 HydrophobicContact CG-CZ3 3.19Å
332	Q	80.9	Confident	77.6	Confident	100 Å²	100	64.4 Å²	64.4	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-59	-44.4	174.7	-171.3	62.8	27.1	0	0	110.9	T328 C334 I335 D336	T328-Q332 WeakPolarHBondContact O-CB 3.28Å; T328-Q332 PolarHBondContact O-N 3.37Å; Q332-C334 VanDerWaalsContact C-N 3.3Å; Q332-C334 PolarHBondContact O-N 3.46Å; Q332-I335 WeakPolarHBondContact O-CB 3.2Å; Q332-I335 PolarHBondContact O-N 2.9Å; Q332-I335 VanDerWaalsContact O-N 3.07Å; Q332-D336 PolarHBondContact NE2-OD1 2.65Å; Q332-D336 WeakPolarHBondContact O-CB 3.31Å; Q332-D336 VanDerWaalsContact O-CG 3.23Å; Q332-D336 PolarHBondContact O-N 3.1Å
333	R	82.6	Confident	76.9	Confident	77 Å²	77	67.5 Å²	67.5	29%	0.291	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-37.1	174.9	-67.9	167.2	68.5	-164.5	-0.4	112.7	L290 V295 S298 T329 H330 L331 I335 S337	L290-R333 HydrophobicContact CD1-CB 4.13Å; L290-R333 HydrophobicContact CD1-CG 4.2Å; V295-R333 HydrophobicContact CG1-CB 4.12Å; S298-R333 PolarHBondContact OG-NH2 3.27Å; T329-R333 WeakPolarHBondContact O-CD 3.45Å; T329-R333 VanDerWaalsContact O-CG 3.23Å; T329-R333 WeakPolarHBondContact O-CG 3.5Å; T329-R333 PolarHBondContact O-N 3.32Å; H330-R333 PolarHBondContact ND1-NH1 2.89Å; H330-R333 WeakPolarHBondContact O-CB 3.47Å; H330-R333 PolarHBondContact O-N 2.97Å; L331-R333 VanDerWaalsContact C-N 3.31Å; L331-R333 PolarHBondContact O-N 3.41Å; R333-I335 VanDerWaalsContact C-N 3.33Å; R333-S337 VanDerWaalsContact O-CB 3.31Å; R333-S337 WeakPolarHBondContact O-CB 3.35Å; R333-S337 PolarHBondContact O-N 3.46Å; R333-S337 PolarHBondContact O-OG 3.33Å
334	C	81.1	Confident	75.5	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.014	38%	0.377	C	S	.	.	H	α-helix	trans	-68	-32.3	175.2	-64	0	0	0	0	112.7	F307 H330 L331 Q332 S337 G338 L339 W340	F307-C334 HydrophobicContact CZ-CB 4.03Å; F307-C334 VanDerWaalsContact CZ-SG 3.59Å; H330-C334 PolarHBondContact O-N 3.4Å; H330-C334 PolarHBondContact O-SG 3.32Å; L331-C334 WeakPolarHBondContact O-CB 3.35Å; L331-C334 PolarHBondContact O-N 2.97Å; L331-C334 VanDerWaalsContact O-N 3.11Å; Q332-C334 VanDerWaalsContact C-N 3.3Å; Q332-C334 PolarHBondContact O-N 3.46Å; C334-S337 PolarHBondContact O-OG 2.9Å; C334-G338 PolarHBondContact O-N 2.84Å; C334-L339 HydrophobicContact CB-CB 4.12Å; C334-L339 WeakPolarHBondContact O-CA 3.43Å; C334-L339 WeakPolarHBondContact O-CB 3.33Å; C334-L339 PolarHBondContact O-N 2.96Å; C334-W340 HydrophobicContact CB-CB 4.07Å; C334-W340 PolarHBondContact O-N 3.29Å
335	I	79.7	Confident	74.1	Confident	41 Å²	41	69.1 Å²	69.1	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-71.8	-48.5	175.2	-64.5	166.8	0	0	0	109.7	L331 Q332 R333 S337 G338 W340 P342	L331-I335 WeakPolarHBondContact O-CG1 3.27Å; L331-I335 PolarHBondContact O-N 2.91Å; Q332-I335 WeakPolarHBondContact O-CB 3.2Å; Q332-I335 PolarHBondContact O-N 2.9Å; Q332-I335 VanDerWaalsContact O-N 3.07Å; R333-I335 VanDerWaalsContact C-N 3.33Å; I335-S337 VanDerWaalsContact C-N 3.26Å; I335-S337 PolarHBondContact O-N 3Å; I335-G338 PolarHBondContact O-N 3.28Å; I335-W340 WeakPolarHBondContact CA-O 3.36Å; I335-W340 HydrophobicContact CD1-CE3 3.97Å; I335-W340 HydrophobicContact CD1-CZ3 4.08Å; I335-W340 HydrophobicContact CG1-CE3 3.77Å; I335-W340 HydrophobicContact CG1-CZ3 4.39Å; I335-P342 HydrophobicContact CD1-CG 3.8Å; I335-P342 HydrophobicContact CG1-CG 3.85Å; I335-P342 HydrophobicContact CG2-CG 3.92Å
336	D	80.2	Confident	72.7	Confident	47 Å²	47	62.7 Å²	62.7	25%	0.251	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-32	-179	-68.3	-20.9	0	0	0	112	G286 G288 L290 Q332	G286-D336 CarbonylContact C-O 3.29Å; G286-D336 VanDerWaalsContact C-O 3.29Å; G286-D336 WeakPolarHBondContact CA-O 3.4Å; G288-D336 VanDerWaalsContact CA-O 3.32Å; G288-D336 WeakPolarHBondContact CA-O 3.44Å; G288-D336 PolarHBondContact N-O 3.32Å; L290-D336 HydrophobicContact CD1-CB 3.75Å; L290-D336 HydrophobicContact CG-CB 4.19Å; Q332-D336 PolarHBondContact NE2-OD1 2.65Å; Q332-D336 WeakPolarHBondContact O-CB 3.31Å; Q332-D336 VanDerWaalsContact O-CG 3.23Å; Q332-D336 PolarHBondContact O-N 3.1Å
337	S	80	Confident	70.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.007	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.6	173.9	79.8	0	0	0	0	114.2	L290 P292 R333 C334 I335 L339	L290-S337 WeakPolarHBondContact O-CA 3.33Å; P292-S337 VanDerWaalsContact CG-O 3.3Å; P292-S337 WeakPolarHBondContact CG-O 3.37Å; R333-S337 VanDerWaalsContact O-CB 3.31Å; R333-S337 WeakPolarHBondContact O-CB 3.35Å; R333-S337 PolarHBondContact O-N 3.46Å; R333-S337 PolarHBondContact O-OG 3.33Å; C334-S337 PolarHBondContact O-OG 2.9Å; I335-S337 VanDerWaalsContact C-N 3.26Å; I335-S337 PolarHBondContact O-N 3Å; S337-L339 PolarHBondContact O-N 3.04Å; S337-L339 VanDerWaalsContact OG-CD1 3.29Å; S337-L339 WeakPolarHBondContact OG-CD1 3.13Å; S337-L339 WeakPolarHBondContact OG-CG 3.4Å
338	G	77.6	Confident	69	Low	37 Å²	37	65.5 Å²	65.5	38%	0.381	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	10.3	-177.4	0	0	0	0	0	115.3	C334 I335 W340	C334-G338 PolarHBondContact O-N 2.84Å; I335-G338 PolarHBondContact O-N 3.28Å; G338-W340 PolarHBondContact O-N 3.43Å
339	L	74.4	Confident	67.1	Low	50 Å²	50	67.4 Å²	67.4	26%	0.262	38%	0.383	S	S	.	.	S	Bend	trans	-66.6	-27.7	172.5	-80.8	165.5	0	0	0	111.9	P292 V295 L299 F307 C334 S337	P292-L339 HydrophobicContact CB-CD2 4.45Å; P292-L339 HydrophobicContact CB-CG 4.28Å; V295-L339 HydrophobicContact CB-CD1 3.92Å; V295-L339 HydrophobicContact CG1-CD1 3.66Å; L299-L339 HydrophobicContact CD1-CD1 4.48Å; F307-L339 HydrophobicContact CE1-CB 4.34Å; C334-L339 HydrophobicContact CB-CB 4.12Å; C334-L339 WeakPolarHBondContact O-CA 3.43Å; C334-L339 WeakPolarHBondContact O-CB 3.33Å; C334-L339 PolarHBondContact O-N 2.96Å; S337-L339 PolarHBondContact O-N 3.04Å; S337-L339 VanDerWaalsContact OG-CD1 3.29Å; S337-L339 WeakPolarHBondContact OG-CD1 3.13Å; S337-L339 WeakPolarHBondContact OG-CG 3.4Å
340	W	70.9	Confident	65.2	Low	53 Å²	53	67.2 Å²	67.2	20%	0.201	38%	0.376	C	S	.	.	S	Bend	trans	-133.7	123.6	177.1	-169.1	37.4	0	0	0	110.7	F307 L331 C334 I335 G338 P342	F307-W340 HydrophobicContact CE1-CB 4.48Å; L331-W340 HydrophobicContact CD1-CD2 4.16Å; L331-W340 HydrophobicContact CD1-CE3 3.27Å; L331-W340 HydrophobicContact CD1-CH2 3.82Å; L331-W340 HydrophobicContact CD1-CZ3 3.13Å; L331-W340 HydrophobicContact CD2-CE3 4.32Å; L331-W340 HydrophobicContact CD2-CH2 3.96Å; L331-W340 HydrophobicContact CD2-CZ3 3.42Å; L331-W340 VanDerWaalsContact CD2-CZ3 3.42Å; L331-W340 HydrophobicContact CG-CE3 3.6Å; L331-W340 HydrophobicContact CG-CH2 4.12Å; L331-W340 HydrophobicContact CG-CZ3 3.19Å; C334-W340 HydrophobicContact CB-CB 4.07Å; C334-W340 PolarHBondContact O-N 3.29Å; I335-W340 WeakPolarHBondContact CA-O 3.36Å; I335-W340 HydrophobicContact CD1-CE3 3.97Å; I335-W340 HydrophobicContact CD1-CZ3 4.08Å; I335-W340 HydrophobicContact CG1-CE3 3.77Å; I335-W340 HydrophobicContact CG1-CZ3 4.39Å; G338-W340 PolarHBondContact O-N 3.43Å; W340-P342 WeakPolarHBondContact O-CD 3.47Å
341	I	70	Confident	62.9	Low	131 Å²	131	73.1 Å²	73.1	67%	0.672	40%	0.401	S	S	*	.			trans	-97.3	112.3	176	-58.9	169.1	0	0	0	106.7	N343	I341-N343 PolarHBondContact O-N 2.88Å
342	P	62.8	Low	60.5	Low	73 Å²	73	77 Å²	77	47%	0.474	43%	0.426	S	S	.	.			trans	-61	112	175.4	-20.5	32.5	0	0	0	109.2	I335 W340	I335-P342 HydrophobicContact CD1-CG 3.8Å; I335-P342 HydrophobicContact CG1-CG 3.85Å; I335-P342 HydrophobicContact CG2-CG 3.92Å; W340-P342 WeakPolarHBondContact O-CD 3.47Å
343	N	52.3	Low	58.3	Low	101 Å²	101	80.2 Å²	80.2	54%	0.54	45%	0.446	S	S	.	.			trans	-75.4	143.2	167.4	-89	-36.8	0	0	0	108.6	I341 N345 D346	I341-N343 PolarHBondContact O-N 2.88Å; N343-N345 PolarHBondContact O-N 3.44Å; N343-D346 PolarHBondContact O-N 3.03Å
344	A	48.4	Very low	55.9	Low	106 Å²	106	85 Å²	85	88%	0.876	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-12.1	175.5	0	0	0	0	0	114.2
345	N	45.7	Very low	53.5	Low	138 Å²	138	88 Å²	88	74%	0.738	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-12.4	174.4	-78.4	3.8	0	0	0	114.7	N343	N343-N345 PolarHBondContact O-N 3.44Å
346	D	48.2	Very low	51.1	Low	19 Å²	19	95.2 Å²	95.2	10%	0.102	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-84.3	-12	-177.5	-68.3	-41.8	0	0	0	112	K312 N343 D348 E349	K312-D346 IonicContact NZ-OD1 3.24Å; K312-D346 PolarHBondContact NZ-OD1 3.04Å; K312-D346 IonicContact NZ-OD2 3.75Å; N343-D346 PolarHBondContact O-N 3.03Å; D346-D348 VanDerWaalsContact C-N 3.28Å; D346-D348 PolarHBondContact O-N 3.03Å; D346-E349 PolarHBondContact O-N 3.46Å
347	G	41.8	Very low	49	Very low	51 Å²	51	102.6 Å²	102.6	53%	0.526	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-72.1	-12.4	-179.9	0	0	0	0	0	115.9
348	D	41.4	Very low	46.7	Very low	132 Å²	132	111.3 Å²	111.3	71%	0.706	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-106.2	-9	174.9	-95.1	-11.7	0	0	0	113.2	D346 K351	D346-D348 VanDerWaalsContact C-N 3.28Å; D346-D348 PolarHBondContact O-N 3.03Å; D348-K351 IonicContact OD1-NZ 2.65Å
349	E	42.6	Very low	44.7	Very low	111 Å²	111	118.4 Å²	118.4	52%	0.519	63%	0.63	S	S	.	*	S	Bend	trans	-92.5	-8.2	-174.9	-86	-159.7	-163	0	0	115	K316 D346	K316-E349 IonicContact NZ-OE2 2.64Å; K316-E349 PolarHBondContact NZ-OE2 3.01Å; D346-E349 PolarHBondContact O-N 3.46Å
350	F	44.1	Very low	42.7	Very low	77 Å²	77	124.6 Å²	124.6	34%	0.338	66%	0.657	S	S	.	*	S	Bend	trans	-121.7	8	-179.9	-77.6	-86.1	0	0	0	114	L315 K316 A319 T352	L315-F350 HydrophobicContact CD2-CZ 3.97Å; K316-F350 HydrophobicContact CD-CZ 4.39Å; K316-F350 HydrophobicContact CG-CE1 3.75Å; K316-F350 HydrophobicContact CG-CZ 3.61Å; A319-F350 HydrophobicContact CB-CE1 4.49Å; F350-T352 PolarHBondContact O-N 3.11Å; F350-T352 VanDerWaalsContact O-N 3.14Å
351	K	35.2	Very low	41.2	Very low	157 Å²	157	129.6 Å²	129.6	68%	0.683	69%	0.688	S	S	*	*			trans	-78.9	96.5	168.2	-73.2	-178.9	-175.6	164.9	0	108.7	D348 D353	D348-K351 IonicContact OD1-NZ 2.65Å; K351-D353 PolarHBondContact O-N 3.09Å
352	T	31.6	Very low	39.5	Very low	112 Å²	112	131.6 Å²	131.6	69%	0.687	69%	0.694	S	S	*	*			trans	-57.1	122.4	160.7	36.1	0	0	0	0	108.7	F350 Q354	F350-T352 PolarHBondContact O-N 3.11Å; F350-T352 VanDerWaalsContact O-N 3.14Å; T352-Q354 VanDerWaalsContact C-N 3.31Å; T352-Q354 PolarHBondContact O-N 2.7Å
353	D	32.9	Very low	38.5	Very low	168 Å²	168	136.8 Å²	136.8	90%	0.898	71%	0.71	S	S	*	*			trans	-53.3	85.6	175.9	-155.1	9.1	0	0	0	110.4	K351	K351-D353 PolarHBondContact O-N 3.09Å
354	Q	32.7	Very low	38.2	Very low	179 Å²	179	138.4 Å²	138.4	84%	0.836	72%	0.718	S	S	*	*			trans	-128.4	88.8	167.3	-74.1	-163.5	14.9	0	0	109.2	T352	T352-Q354 VanDerWaalsContact C-N 3.31Å; T352-Q354 PolarHBondContact O-N 2.7Å
355	G	31.9	Very low	38.1	Very low	63 Å²	63	142.5 Å²	142.5	65%	0.649	72%	0.716	S	S	*	*			trans	60.3	89.6	134.8	0	0	0	0	0	115.7	K357	G355-K357 PolarHBondContact O-N 3.14Å
356	E	29.4	Very low	38.3	Very low	194 Å²	194	141.8 Å²	141.8	91%	0.907	72%	0.719	S	S	*	*			trans	-38.8	110.4	149.4	-66.9	173	154.4	0	0	110.3
357	K	35.1	Very low	38	Very low	201 Å²	201	144.8 Å²	144.8	87%	0.874	75%	0.747	S	S	*	*			trans	-128.1	93.7	151.9	-80.1	-167.8	177.9	-179.4	0	107.9	G355 E359	G355-K357 PolarHBondContact O-N 3.14Å; K357-E359 PolarHBondContact O-N 3.34Å
358	E	30.9	Very low	38.6	Very low	185 Å²	185	149.7 Å²	149.7	86%	0.864	76%	0.761	S	S	*	*			trans	-45.1	117.2	152.5	-60.9	172.9	149.1	0	0	109
359	E	36.5	Very low	38.9	Very low	186 Å²	186	154.9 Å²	154.9	87%	0.869	79%	0.789	S	S	*	*			trans	-132.9	103.4	147.6	-83.7	-166.3	171.3	0	0	108	K357 N361	K357-E359 PolarHBondContact O-N 3.34Å; E359-N361 PolarHBondContact O-N 3.09Å
360	E	32.4	Very low	38.7	Very low	179 Å²	179	157.1 Å²	157.1	84%	0.836	80%	0.802	S	S	*	*			trans	-44.1	129	155.7	-64	175.6	135.8	0	0	109.4
361	N	38.4	Very low	38.4	Very low	159 Å²	159	161.3 Å²	161.3	85%	0.85	83%	0.827	S	S	*	*			trans	-153.4	111.2	137.1	-98.2	-36.7	0	0	0	111.1	E359	E359-N361 PolarHBondContact O-N 3.09Å
362	Q	35.5	Very low	38.6	Very low	172 Å²	172	161.6 Å²	161.6	80%	0.804	84%	0.835	S	S	*	*			trans	-49.6	136.5	158.4	-69.8	160	-8.1	0	0	110
363	F	41.3	Very low	39	Very low	183 Å²	183	164.5 Å²	164.5	80%	0.803	84%	0.843	S	S	*	*				-169.4	118.7	117.2	-124.2	-100.2	0	0	0	112.3
364	D	46.5	Very low	39.4	Very low	134 Å²	134	164.3 Å²	164.3	72%	0.717	84%	0.84	S	S	*	*			trans	24.5	125.1	149.4	-79.2	-31.1	0	0	0	122.6
365	K	46.4	Very low	39.9	Very low	192 Å²	192	163.3 Å²	163.3	84%	0.835	84%	0.84	S	S	*	*			trans	-59.7	163.5	148.4	-72.7	178.8	175	176.7	0	110.6
366	P	50.2	Low	40.4	Very low	123 Å²	123	170.4 Å²	170.4	80%	0.799	85%	0.854	S	S	*	*				-127.5	138	114.4	27.2	-14.3	0	0	0	111.6
367	A	42.1	Very low	41.3	Very low	82 Å²	82	168.6 Å²	168.6	68%	0.678	85%	0.85	S	S	*	*			trans	-83.6	135.5	151.2	0	0	0	0	0	106.7
368	D	54.4	Low	41.8	Very low	155 Å²	155	165.9 Å²	165.9	83%	0.829	85%	0.848	S	S	*	*			trans	-158.8	125.8	148.4	-92.5	-28.5	0	0	0	107.5
369	D	46.8	Very low	42.8	Very low	241 Å²	241	164.2 Å²	164.2	100%	1.289	85%	0.846	S	S	*	*			trans	61.3	0	170.8	-68.3	-25.7	0	0	0	122.1

Retrieved 369 of 369 residues in 283.3 ms (Link to these results)

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