A0A5K4F7V5_SCHMA Loading...

SPATA1_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7V5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 764 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	36.7	Very low	36.3	Very low	232 Å²	232	151.1 Å²	151.1	100%	1.143	81%	0.814	S	S	*	*				0	131.7	0	-69.8	-141	175.9	0	0	107.6
2	N	40.3	Very low	36.2	Very low	145 Å²	145	156.3 Å²	156.3	78%	0.775	81%	0.814	S	S	*	*			trans	82.2	51.1	-177.2	-50.6	-6.7	0	0	0	116	L4	N2-L4 VanDerWaalsContact C-N 3.28Å
3	S	36.8	Very low	36.6	Very low	125 Å²	125	152.2 Å²	152.2	87%	0.874	81%	0.806	S	S	*	*			trans	-92.5	17.9	158.8	-56.5	0	0	0	0	112.7
4	L	37.5	Very low	37.2	Very low	155 Å²	155	152.1 Å²	152.1	81%	0.812	80%	0.799	S	S	*	*			trans	-109.3	74.5	174	-75.7	163	0	0	0	108.3	N2	N2-L4 VanDerWaalsContact C-N 3.28Å
5	N	39.1	Very low	37.8	Very low	139 Å²	139	150.6 Å²	150.6	74%	0.743	79%	0.792	S	S	*	*	S	Bend	trans	-149.8	11.6	167.7	-96	-20.8	0	0	0	113.3
6	S	36.8	Very low	38.8	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	77%	0.774	S	S	*	*	S	Bend	trans	-114.9	12.2	-176.7	-129.4	0	0	0	0	114.9
7	I	36.3	Very low	40.7	Very low	154 Å²	154	145.8 Å²	145.8	79%	0.79	76%	0.762	S	S	*	*	S	Bend	trans	-112.3	-12.2	177.7	-65.1	176.2	0	0	0	112.6	S9	I7-S9 PolarHBondContact O-N 3.47Å
8	E	33.2	Very low	43	Very low	171 Å²	171	142.7 Å²	142.7	80%	0.799	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	6.7	-168.8	-147.2	144.6	-150.1	0	0	115.4
9	S	35.3	Very low	45.1	Very low	96 Å²	96	135.9 Å²	135.9	67%	0.671	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	0.7	176.6	60	0	0	0	0	114.9	I7 S11	I7-S9 PolarHBondContact O-N 3.47Å; S9-S11 PolarHBondContact O-N 2.9Å
10	R	30.8	Very low	47.3	Very low	237 Å²	237	132.8 Å²	132.8	89%	0.894	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-6.7	-177.9	-154.1	166	-172.8	173.9	1.6	114.8
11	S	36.1	Very low	49.3	Very low	95 Å²	95	126.4 Å²	126.4	66%	0.664	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	0.1	-176.7	34.5	0	0	0	0	115.3	S9	S9-S11 PolarHBondContact O-N 2.9Å
12	R	35.9	Very low	51.9	Low	214 Å²	214	117.6 Å²	117.6	81%	0.808	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-0.3	-175.9	-142.4	178.3	-174.2	-179.8	2	115.7
13	S	40.7	Very low	54.3	Low	102 Å²	102	110.7 Å²	110.7	71%	0.713	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-1.4	-177	-55.9	0	0	0	0	114.4
14	E	45.5	Very low	56.9	Low	152 Å²	152	107.1 Å²	107.1	71%	0.71	55%	0.55	S	S	*	*			trans	-110.9	10	177.3	-68.5	-149.8	-168.7	0	0	114.8	L16	E14-L16 PolarHBondContact O-N 3.1Å
15	D	46	Very low	59.5	Low	129 Å²	129	100.8 Å²	100.8	69%	0.69	52%	0.518	S	S	*	.			trans	-70.3	38.7	163.8	-75.2	-21.5	0	0	0	111.5	Q17	D15-Q17 VanDerWaalsContact C-N 3.34Å; D15-Q17 PolarHBondContact O-N 3.21Å
16	L	53.4	Low	61.9	Low	96 Å²	96	94.3 Å²	94.3	50%	0.503	48%	0.483	S	S	.	.			trans	-58.5	91.1	172.6	-71.2	161.1	0	0	0	108.6	E14 L18	E14-L16 PolarHBondContact O-N 3.1Å; L16-L18 PolarHBondContact O-N 3.33Å
17	Q	71.9	Confident	64.3	Low	124 Å²	124	90.2 Å²	90.2	58%	0.579	45%	0.454	S	S	*	.			trans	33.9	63.8	157.2	-69.5	-165.3	-3.3	0	0	114.3	D15 I56	D15-Q17 VanDerWaalsContact C-N 3.34Å; D15-Q17 PolarHBondContact O-N 3.21Å; Q17-I56 HydrophobicContact CB-CB 4.43Å; Q17-I56 HydrophobicContact CB-CD1 3.78Å; Q17-I56 HydrophobicContact CB-CG1 4.43Å; Q17-I56 WeakPolarHBondContact O-CD1 3.49Å; Q17-I56 WeakPolarHBondContact O-CG1 3.41Å; Q17-I56 PolarHBondContact O-N 2.94Å
18	L	81.3	Confident	66.5	Low	89 Å²	89	86.2 Å²	86.2	47%	0.466	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.2	169.5	-68.9	163.6	0	0	0	109.1	L16 R53 S54 K55	L16-L18 PolarHBondContact O-N 3.33Å; L18-R53 HydrophobicContact CB-CG 3.89Å; L18-R53 HydrophobicContact CD1-CG 4.49Å; L18-R53 HydrophobicContact CD2-CG 4.28Å; L18-R53 HydrophobicContact CG-CG 4.45Å; L18-S54 CarbonylContact C-O 3.56Å; L18-S54 WeakPolarHBondContact CA-O 3.33Å; L18-K55 HydrophobicContact CD2-CG 3.83Å
19	A	83.6	Confident	68.9	Low	15 Å²	15	84.5 Å²	84.5	12%	0.124	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148	173.6	0	0	0	0	0	111	R53 S54 I56 L107	A19-R53 WeakPolarHBondContact O-CA 3.39Å; A19-S54 PolarHBondContact N-O 2.81Å; A19-S54 PolarHBondContact O-N 3.09Å; A19-I56 HydrophobicContact CB-CD1 3.92Å; A19-I56 HydrophobicContact CB-CG1 3.55Å; A19-L107 HydrophobicContact CB-CD1 3.38Å; A19-L107 HydrophobicContact CB-CD2 4.07Å; A19-L107 HydrophobicContact CB-CG 4.4Å
20	D	88.4	Confident	71.3	Confident	72 Å²	72	81.2 Å²	81.2	39%	0.385	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.4	174.5	-68.5	-19.5	0	0	0	109.1	I51 R53	D20-I51 HydrophobicContact CB-CG2 3.9Å; D20-R53 VanDerWaalsContact OD1-CB 3.3Å; D20-R53 WeakPolarHBondContact OD1-CB 3.44Å; D20-R53 WeakPolarHBondContact OD1-CG 3.36Å; D20-R53 IonicContact OD1-CZ 2.67Å; D20-R53 IonicContact OD1-NE 3.36Å; D20-R53 PolarHBondContact OD1-NE 3.14Å; D20-R53 IonicContact OD1-NH2 3.92Å; D20-R53 PolarHBondContact OD1-NH2 3.14Å; D20-R53 IonicContact OD2-CZ 2.63Å; D20-R53 IonicContact OD2-NE 3.67Å; D20-R53 IonicContact OD2-NH2 3.58Å; D20-R53 PolarHBondContact OD2-NH2 3.07Å
21	I	89.6	Confident	74	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.7	-177.4	-56.6	147.5	0	0	0	108.6	I23 I51 I52 F63 V103 L107 I116	I21-I23 HydrophobicContact CG2-CD1 4.03Å; I21-I51 WeakPolarHBondContact O-CA 3.21Å; I21-I52 PolarHBondContact N-O 2.88Å; I21-I52 PolarHBondContact O-N 2.98Å; I21-F63 HydrophobicContact CD1-CE2 4.08Å; I21-F63 HydrophobicContact CD1-CZ 4.06Å; I21-V103 HydrophobicContact CD1-CB 4.43Å; I21-V103 HydrophobicContact CD1-CG1 3.25Å; I21-V103 HydrophobicContact CD1-CG2 4.37Å; I21-V103 HydrophobicContact CG1-CG1 4.23Å; I21-L107 HydrophobicContact CG1-CD2 4Å; I21-I116 HydrophobicContact CG2-CB 4.34Å; I21-I116 HydrophobicContact CG2-CD1 3.73Å; I21-I116 HydrophobicContact CG2-CG1 3.73Å
22	H	91	Very high	76.4	Confident	47 Å²	47	68.7 Å²	68.7	22%	0.218	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.3	177.4	-154.9	156.7	0	0	0	110.4	Y24 S48 G50 I51 S114 E115 I116	H22-Y24 HydrophobicContact CB-CE2 4.03Å; H22-Y24 AromaticContact CD2-CE2 3.97Å; H22-Y24 AromaticContact CD2-CZ 3.96Å; H22-Y24 AromaticContact CE1-CZ 3.62Å; H22-Y24 PolarHBondContact CE1-OH 3.3Å; H22-Y24 VanDerWaalsContact CE1-OH 3.24Å; H22-Y24 AromaticContact CG-CE2 3.71Å; H22-Y24 AromaticContact CG-CZ 3.86Å; H22-Y24 AromaticContact ND1-CE2 3.94Å; H22-Y24 AromaticContact ND1-CZ 3.67Å; H22-Y24 PolarHBondContact ND1-OH 2.88Å; H22-Y24 AromaticContact NE2-CZ 3.82Å; H22-S48 WeakPolarHBondContact NE2-CB 3.46Å; H22-S48 PolarHBondContact NE2-OG 2.97Å; H22-G50 PolarHBondContact CD2-O 3.15Å; H22-G50 VanDerWaalsContact CD2-O 3.23Å; H22-I51 HydrophobicContact CB-CG1 4.38Å; H22-S114 PolarHBondContact N-O 3.22Å; H22-E115 CarbonylContact O-C 3.49Å; H22-E115 VanDerWaalsContact O-CA 3.27Å; H22-E115 WeakPolarHBondContact O-CA 3.46Å; H22-I116 PolarHBondContact O-N 3.37Å
23	I	90.6	Very high	78.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131	178.2	-48	-59	0	0	0	110	I21 A49 G50 I52 F63 L67 I116 V118	I21-I23 HydrophobicContact CG2-CD1 4.03Å; I23-A49 HydrophobicContact CB-CB 4.08Å; I23-A49 HydrophobicContact CG2-CB 3.99Å; I23-A49 PolarHBondContact O-N 3.4Å; I23-G50 PolarHBondContact N-O 2.94Å; I23-I52 HydrophobicContact CG1-CD1 4.06Å; I23-I52 HydrophobicContact CG1-CG1 4.44Å; I23-F63 HydrophobicContact CD1-CE1 3.8Å; I23-F63 HydrophobicContact CD1-CZ 3.91Å; I23-L67 HydrophobicContact CD1-CD2 4.38Å; I23-L67 HydrophobicContact CG1-CD2 4.03Å; I23-L67 HydrophobicContact CG2-CD2 4.48Å; I23-I116 WeakPolarHBondContact CA-O 3.48Å; I23-I116 HydrophobicContact CD1-CB 3.86Å; I23-I116 HydrophobicContact CD1-CG2 4.42Å; I23-V118 HydrophobicContact CG2-CG2 3.98Å
24	Y	92	Very high	80.4	Confident	50 Å²	50	61.2 Å²	61.2	20%	0.196	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132	176.9	-70.2	-81.7	0	0	0	111.2	H22 T46 V47 E115 I116 Y117 V118	H22-Y24 HydrophobicContact CB-CE2 4.03Å; H22-Y24 AromaticContact CD2-CE2 3.97Å; H22-Y24 AromaticContact CD2-CZ 3.96Å; H22-Y24 AromaticContact CE1-CZ 3.62Å; H22-Y24 PolarHBondContact CE1-OH 3.3Å; H22-Y24 VanDerWaalsContact CE1-OH 3.24Å; H22-Y24 AromaticContact CG-CE2 3.71Å; H22-Y24 AromaticContact CG-CZ 3.86Å; H22-Y24 AromaticContact ND1-CE2 3.94Å; H22-Y24 AromaticContact ND1-CZ 3.67Å; H22-Y24 PolarHBondContact ND1-OH 2.88Å; H22-Y24 AromaticContact NE2-CZ 3.82Å; Y24-T46 WeakPolarHBondContact CD1-OG1 3.45Å; Y24-V47 CarbonylContact C-O 3.53Å; Y24-V47 WeakPolarHBondContact CA-O 3.44Å; Y24-E115 HydrophobicContact CD2-CB 4.15Å; Y24-E115 HydrophobicContact CE2-CB 4.01Å; Y24-I116 PolarHBondContact N-O 3.38Å; Y24-Y117 HydrophobicContact CD2-CE1 4.08Å; Y24-Y117 HydrophobicContact CG-CD1 4.41Å; Y24-Y117 HydrophobicContact CG-CE1 4.1Å; Y24-Y117 CarbonylContact O-C 3.58Å; Y24-Y117 WeakPolarHBondContact O-CA 3.39Å; Y24-V118 PolarHBondContact O-N 2.86Å
25	V	91.1	Very high	82.1	Confident	21 Å²	21	59.5 Å²	59.5	13%	0.127	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125	170	-170.7	0	0	0	0	108.7	P27 V47 A49 P77 V118	V25-P27 VanDerWaalsContact O-CD 3.28Å; V25-P27 WeakPolarHBondContact O-CD 3.28Å; V25-V47 HydrophobicContact CB-CB 4.46Å; V25-V47 PolarHBondContact N-O 3.47Å; V25-V47 PolarHBondContact O-N 2.97Å; V25-A49 HydrophobicContact CG2-CB 3.98Å; V25-P77 HydrophobicContact CG1-CG 4.29Å; V25-V118 CarbonylContact C-O 3.5Å; V25-V118 VanDerWaalsContact CA-O 3.31Å; V25-V118 WeakPolarHBondContact CA-O 3.47Å
26	I	90.7	Very high	83.9	Confident	3 Å²	3	56 Å²	56	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	116.6	174.4	-53.9	172.1	0	0	0	107.9	L30 W31 A38 T46 C83 L90 Y117 V118 I119	I26-L30 HydrophobicContact CG2-CB 4.21Å; I26-W31 HydrophobicContact CD1-CE3 4.2Å; I26-W31 HydrophobicContact CD1-CZ3 4.06Å; I26-A38 HydrophobicContact CG2-CB 4.46Å; I26-T46 HydrophobicContact CG1-CG2 4.16Å; I26-C83 HydrophobicContact CD1-CB 4.15Å; I26-L90 HydrophobicContact CD1-CD1 3.68Å; I26-L90 HydrophobicContact CG1-CD1 4.38Å; I26-Y117 HydrophobicContact CG1-CD1 4.23Å; I26-V118 PolarHBondContact N-O 2.91Å; I26-I119 HydrophobicContact CB-CB 4.36Å
27	P	87.6	Confident	85.6	Confident	27 Å²	27	52.2 Å²	52.2	18%	0.175	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-57.5	137.7	170.4	-27.1	36.7	0	0	0	111.3	V25 N29 L30 V47	V25-P27 VanDerWaalsContact O-CD 3.28Å; V25-P27 WeakPolarHBondContact O-CD 3.28Å; P27-N29 WeakPolarHBondContact CB-OD1 3.37Å; P27-N29 PolarHBondContact O-N 3.46Å; P27-N29 VanDerWaalsContact O-N 3.15Å; P27-L30 HydrophobicContact CB-CD1 4.44Å; P27-L30 HydrophobicContact CB-CG 4.29Å; P27-L30 HydrophobicContact CG-CD1 4.19Å; P27-L30 WeakPolarHBondContact O-CB 3.2Å; P27-L30 PolarHBondContact O-N 2.86Å; P27-V47 HydrophobicContact CG-CG2 4.13Å
28	P	82	Confident	86.4	Confident	71 Å²	71	46.4 Å²	46.4	46%	0.461	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-63.7	-26.1	-172.9	24.2	-34	0	0	0	113.5	L30 W31 A123	P28-L30 PolarHBondContact O-N 3.37Å; P28-W31 PolarHBondContact O-N 3.25Å; P28-W31 VanDerWaalsContact O-N 3.15Å; P28-A123 HydrophobicContact CB-CB 3.55Å; P28-A123 HydrophobicContact CG-CB 4.02Å
29	N	82.7	Confident	86.8	Confident	134 Å²	134	45.5 Å²	45.5	72%	0.717	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-68.6	-15.9	174.3	65.1	-46.6	0	0	0	114.1	P27	P27-N29 WeakPolarHBondContact CB-OD1 3.37Å; P27-N29 PolarHBondContact O-N 3.46Å; P27-N29 VanDerWaalsContact O-N 3.15Å
30	L	86.1	Confident	86.7	Confident	28 Å²	28	46.2 Å²	46.2	15%	0.147	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-91.2	-12.1	173.9	-59.5	-175	0	0	0	112.6	I26 P27 P28 V42 N45	I26-L30 HydrophobicContact CG2-CB 4.21Å; P27-L30 HydrophobicContact CB-CD1 4.44Å; P27-L30 HydrophobicContact CB-CG 4.29Å; P27-L30 HydrophobicContact CG-CD1 4.19Å; P27-L30 WeakPolarHBondContact O-CB 3.2Å; P27-L30 PolarHBondContact O-N 2.86Å; P28-L30 PolarHBondContact O-N 3.37Å; L30-V42 HydrophobicContact CB-CG2 4.18Å; L30-V42 HydrophobicContact CD1-CB 4.33Å; L30-V42 HydrophobicContact CD2-CB 4.3Å; L30-N45 HydrophobicContact CD1-CB 3.64Å
31	W	87.6	Confident	86.4	Confident	14 Å²	14	48.9 Å²	48.9	5%	0.053	26%	0.256	C	S	.	.			trans	-86.7	132.9	179.4	-168.3	-101.9	0	0	0	110.9	I26 P28 N33 N36 A38 L90 R92 I119	I26-W31 HydrophobicContact CD1-CE3 4.2Å; I26-W31 HydrophobicContact CD1-CZ3 4.06Å; P28-W31 PolarHBondContact O-N 3.25Å; P28-W31 VanDerWaalsContact O-N 3.15Å; W31-N33 VanDerWaalsContact CD1-OD1 3.29Å; W31-N36 WeakPolarHBondContact CZ2-O 3.47Å; W31-N36 WeakPolarHBondContact CZ2-OD1 3.43Å; W31-A38 HydrophobicContact CE3-CB 3.7Å; W31-A38 HydrophobicContact CZ3-CB 4.1Å; W31-L90 HydrophobicContact CZ3-CB 4.49Å; W31-R92 HydrophobicContact CH2-CB 4.31Å; W31-R92 HydrophobicContact CZ2-CB 4.34Å; W31-I119 HydrophobicContact CB-CD1 3.46Å; W31-I119 VanDerWaalsContact CB-CD1 3.46Å; W31-I119 HydrophobicContact CD2-CD1 3.39Å; W31-I119 HydrophobicContact CE3-CD1 3.62Å; W31-I119 HydrophobicContact CG-CD1 3.32Å; W31-I119 HydrophobicContact CZ3-CD1 4.47Å
32	I	85.7	Confident	86.1	Confident	54 Å²	54	50.5 Å²	50.5	28%	0.277	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-99.1	101.9	178.3	-53.8	172.9	0	0	0	107.3	D34 L35 N36 T37 F39	I32-D34 PolarHBondContact O-N 3.14Å; I32-L35 HydrophobicContact CG2-CB 4.14Å; I32-L35 HydrophobicContact CG2-CD1 4.27Å; I32-L35 HydrophobicContact CG2-CG 4.14Å; I32-L35 PolarHBondContact O-N 3.11Å; I32-N36 WeakPolarHBondContact O-CA 3.41Å; I32-N36 PolarHBondContact O-N 3.49Å; I32-T37 WeakPolarHBondContact CA-O 3.43Å; I32-T37 WeakPolarHBondContact CB-O 3.31Å; I32-T37 PolarHBondContact N-O 2.94Å; I32-T37 PolarHBondContact O-N 2.93Å; I32-F39 HydrophobicContact CD1-CD2 3.6Å; I32-F39 HydrophobicContact CD1-CE2 3.28Å; I32-F39 HydrophobicContact CD1-CZ 4.17Å
33	N	81.4	Confident	85.6	Confident	36 Å²	36	49.5 Å²	49.5	19%	0.193	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.3	-44.5	-176	-68	-26.1	0	0	0	113.3	W31 L35 N36 S127	W31-N33 VanDerWaalsContact CD1-OD1 3.29Å; N33-L35 PolarHBondContact O-N 2.85Å; N33-N36 PolarHBondContact O-N 2.95Å; N33-S127 WeakPolarHBondContact ND2-CB 3.42Å; N33-S127 PolarHBondContact ND2-OG 3.26Å
34	D	79.4	Confident	85.3	Confident	124 Å²	124	58.7 Å²	58.7	66%	0.663	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.8	-33	-175.1	-55.1	-13.2	0	0	0	112.5	I32 Q131	I32-D34 PolarHBondContact O-N 3.14Å; D34-Q131 PolarHBondContact OD1-NE2 3.06Å
35	L	81.4	Confident	85.1	Confident	116 Å²	116	61.4 Å²	61.4	61%	0.607	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-101.4	-5.3	179.6	-61.5	-178.2	0	0	0	112.5	I32 N33 T37	I32-L35 HydrophobicContact CG2-CB 4.14Å; I32-L35 HydrophobicContact CG2-CD1 4.27Å; I32-L35 HydrophobicContact CG2-CG 4.14Å; I32-L35 PolarHBondContact O-N 3.11Å; N33-L35 PolarHBondContact O-N 2.85Å; L35-T37 VanDerWaalsContact C-N 3.26Å; L35-T37 HydrophobicContact CB-CG2 3.62Å; L35-T37 HydrophobicContact CD1-CG2 4.47Å; L35-T37 PolarHBondContact O-N 3.45Å
36	N	84.8	Confident	84.9	Confident	55 Å²	55	61.3 Å²	61.3	29%	0.294	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	48.1	-174.4	-162	25.5	0	0	0	112.3	W31 I32 N33 R92	W31-N36 WeakPolarHBondContact CZ2-O 3.47Å; W31-N36 WeakPolarHBondContact CZ2-OD1 3.43Å; I32-N36 WeakPolarHBondContact O-CA 3.41Å; I32-N36 PolarHBondContact O-N 3.49Å; N33-N36 PolarHBondContact O-N 2.95Å; N36-R92 PolarHBondContact ND2-NE 3.34Å
37	T	89.2	Confident	84.8	Confident	17 Å²	17	65.1 Å²	65.1	10%	0.104	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	161.2	-174.4	-166.2	0	0	0	0	112.6	I32 L35 S89 L90	I32-T37 WeakPolarHBondContact CA-O 3.43Å; I32-T37 WeakPolarHBondContact CB-O 3.31Å; I32-T37 PolarHBondContact N-O 2.94Å; I32-T37 PolarHBondContact O-N 2.93Å; L35-T37 VanDerWaalsContact C-N 3.26Å; L35-T37 HydrophobicContact CB-CG2 3.62Å; L35-T37 HydrophobicContact CD1-CG2 4.47Å; L35-T37 PolarHBondContact O-N 3.45Å; T37-S89 WeakPolarHBondContact OG1-CB 3.36Å; T37-L90 VanDerWaalsContact CA-O 3.31Å; T37-L90 WeakPolarHBondContact CA-O 3.49Å; T37-L90 WeakPolarHBondContact CB-O 3.47Å; T37-L90 PolarHBondContact OG1-O 2.8Å
38	A	88.1	Confident	84.8	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.008	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.6	165.1	0	0	0	0	0	110.4	I26 W31 V42 S89 L90	I26-A38 HydrophobicContact CG2-CB 4.46Å; W31-A38 HydrophobicContact CE3-CB 3.7Å; W31-A38 HydrophobicContact CZ3-CB 4.1Å; A38-V42 HydrophobicContact CB-CG2 4.36Å; A38-S89 CarbonylContact O-C 3.5Å; A38-S89 WeakPolarHBondContact O-CA 3.33Å; A38-L90 HydrophobicContact CB-CB 4.31Å; A38-L90 HydrophobicContact CB-CD1 4.15Å; A38-L90 PolarHBondContact N-O 3.1Å; A38-L90 PolarHBondContact O-N 3.32Å
39	F	89.2	Confident	85	Confident	70 Å²	70	63.7 Å²	63.7	31%	0.307	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.6	-179.3	-69.8	-64.6	0	0	0	112.3	I32 Q41 V42	I32-F39 HydrophobicContact CD1-CD2 3.6Å; I32-F39 HydrophobicContact CD1-CE2 3.28Å; I32-F39 HydrophobicContact CD1-CZ 4.17Å; F39-Q41 HydrophobicContact CB-CG 3.97Å; F39-Q41 PolarHBondContact O-N 3.46Å; F39-V42 WeakPolarHBondContact O-CG2 3.35Å; F39-V42 PolarHBondContact O-N 3.5Å
40	S	81.3	Confident	85.1	Confident	30 Å²	30	58.3 Å²	58.3	21%	0.21	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-57.6	-28.6	179.7	173.5	0	0	0	0	113	V42 I43 H88	S40-V42 VanDerWaalsContact C-N 3.26Å; S40-V42 PolarHBondContact O-N 3.24Å; S40-I43 VanDerWaalsContact O-CB 3.22Å; S40-I43 WeakPolarHBondContact O-CB 3.45Å; S40-I43 WeakPolarHBondContact O-CD1 3.21Å; S40-I43 VanDerWaalsContact O-CG1 3.28Å; S40-I43 WeakPolarHBondContact O-CG1 3.23Å; S40-I43 PolarHBondContact O-N 2.97Å; S40-H88 WeakPolarHBondContact CB-O 3.5Å; S40-H88 PolarHBondContact N-O 3.37Å
41	Q	82.3	Confident	85.2	Confident	129 Å²	129	62.2 Å²	62.2	60%	0.603	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-64.7	-25.1	176.4	67.9	-171.8	-6.4	0	0	114.5	F39	F39-Q41 HydrophobicContact CB-CG 3.97Å; F39-Q41 PolarHBondContact O-N 3.46Å
42	V	83.1	Confident	85.2	Confident	34 Å²	34	61.8 Å²	61.8	21%	0.206	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-89.4	-3.8	179.6	-59.5	0	0	0	0	113.1	L30 A38 F39 S40 K44 N45	L30-V42 HydrophobicContact CB-CG2 4.18Å; L30-V42 HydrophobicContact CD1-CB 4.33Å; L30-V42 HydrophobicContact CD2-CB 4.3Å; A38-V42 HydrophobicContact CB-CG2 4.36Å; F39-V42 WeakPolarHBondContact O-CG2 3.35Å; F39-V42 PolarHBondContact O-N 3.5Å; S40-V42 VanDerWaalsContact C-N 3.26Å; S40-V42 PolarHBondContact O-N 3.24Å; V42-K44 PolarHBondContact O-N 3.44Å; V42-K44 VanDerWaalsContact O-N 3.12Å; V42-N45 WeakPolarHBondContact O-CB 3.46Å; V42-N45 PolarHBondContact O-N 2.91Å
43	I	82.2	Confident	85.2	Confident	26 Å²	26	65.8 Å²	65.8	13%	0.133	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-52.6	-35.5	176.8	-75	172.1	0	0	0	112.3	S40 N45 T46 L90 Y117	S40-I43 VanDerWaalsContact O-CB 3.22Å; S40-I43 WeakPolarHBondContact O-CB 3.45Å; S40-I43 WeakPolarHBondContact O-CD1 3.21Å; S40-I43 VanDerWaalsContact O-CG1 3.28Å; S40-I43 WeakPolarHBondContact O-CG1 3.23Å; S40-I43 PolarHBondContact O-N 2.97Å; I43-N45 PolarHBondContact O-N 2.88Å; I43-T46 WeakPolarHBondContact O-CB 3.46Å; I43-T46 WeakPolarHBondContact O-CG2 3.41Å; I43-T46 PolarHBondContact O-N 3.46Å; I43-T46 PolarHBondContact O-OG1 3.24Å; I43-L90 HydrophobicContact CD1-CD1 4.35Å; I43-L90 HydrophobicContact CD1-CD2 4.21Å; I43-L90 HydrophobicContact CD1-CG 4.4Å; I43-L90 HydrophobicContact CG1-CD1 3.94Å; I43-L90 HydrophobicContact CG1-CG 4.48Å; I43-Y117 HydrophobicContact CG1-CE1 4.16Å; I43-Y117 HydrophobicContact CG2-CE1 3.87Å; I43-Y117 WeakPolarHBondContact CG2-OH 3.38Å
44	K	83.2	Confident	85.4	Confident	193 Å²	193	64.3 Å²	64.3	84%	0.839	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-59.8	-19.2	179.1	-62.8	-177.2	-178.7	179.9	0	114	V42	V42-K44 PolarHBondContact O-N 3.44Å; V42-K44 VanDerWaalsContact O-N 3.12Å
45	N	87.5	Confident	85.6	Confident	107 Å²	107	63.1 Å²	63.1	57%	0.572	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-101.7	5.9	-179.5	-57.6	-11.9	0	0	0	112.1	L30 V42 I43	L30-N45 HydrophobicContact CD1-CB 3.64Å; V42-N45 WeakPolarHBondContact O-CB 3.46Å; V42-N45 PolarHBondContact O-N 2.91Å; I43-N45 PolarHBondContact O-N 2.88Å
46	T	88	Confident	85.7	Confident	19 Å²	19	59.4 Å²	59.4	12%	0.117	30%	0.303	C	S	.	.	S	Bend	trans	-75.2	153.7	173.9	62.5	0	0	0	0	111.1	Y24 I26 I43 Y117	Y24-T46 WeakPolarHBondContact CD1-OG1 3.45Å; I26-T46 HydrophobicContact CG1-CG2 4.16Å; I43-T46 WeakPolarHBondContact O-CB 3.46Å; I43-T46 WeakPolarHBondContact O-CG2 3.41Å; I43-T46 PolarHBondContact O-N 3.46Å; I43-T46 PolarHBondContact O-OG1 3.24Å; T46-Y117 HydrophobicContact CG2-CD1 4.39Å; T46-Y117 HydrophobicContact CG2-CE1 4.32Å
47	V	87.8	Confident	85.7	Confident	82 Å²	82	61.8 Å²	61.8	50%	0.497	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.1	-176.4	-179.6	0	0	0	0	108.9	Y24 V25 P27 A49	Y24-V47 CarbonylContact C-O 3.53Å; Y24-V47 WeakPolarHBondContact CA-O 3.44Å; V25-V47 HydrophobicContact CB-CB 4.46Å; V25-V47 PolarHBondContact N-O 3.47Å; V25-V47 PolarHBondContact O-N 2.97Å; P27-V47 HydrophobicContact CG-CG2 4.13Å; V47-A49 PolarHBondContact O-N 3.32Å
48	S	88.3	Confident	85.7	Confident	62 Å²	62	62.1 Å²	62.1	43%	0.434	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	117.4	175.8	158	0	0	0	0	110.5	H22	H22-S48 WeakPolarHBondContact NE2-CB 3.46Å; H22-S48 PolarHBondContact NE2-OG 2.97Å
49	A	85	Confident	85.9	Confident	7 Å²	7	63.4 Å²	63.4	6%	0.058	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-29.9	173.6	0	0	0	0	0	113	I23 V25 V47 L71 I75	I23-A49 HydrophobicContact CB-CB 4.08Å; I23-A49 HydrophobicContact CG2-CB 3.99Å; I23-A49 PolarHBondContact O-N 3.4Å; V25-A49 HydrophobicContact CG2-CB 3.98Å; V47-A49 PolarHBondContact O-N 3.32Å; A49-L71 HydrophobicContact CB-CD2 3.94Å; A49-I75 HydrophobicContact CB-CG2 3.78Å
50	G	85.6	Confident	85.9	Confident	21 Å²	21	60 Å²	60	22%	0.216	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-178.2	179.4	0	0	0	0	0	113.1	H22 I23	H22-G50 PolarHBondContact CD2-O 3.15Å; H22-G50 VanDerWaalsContact CD2-O 3.23Å; I23-G50 PolarHBondContact N-O 2.94Å
51	I	88.4	Confident	86.2	Confident	110 Å²	110	60.2 Å²	60.2	56%	0.564	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.2	-179.7	-59.1	171.9	0	0	0	108.6	D20 I21 H22	D20-I51 HydrophobicContact CB-CG2 3.9Å; I21-I51 WeakPolarHBondContact O-CA 3.21Å; H22-I51 HydrophobicContact CB-CG1 4.38Å
52	I	86.8	Confident	86.5	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.4	179.9	-58.7	174.4	0	0	0	109.5	I21 I23 F63 I66 L67 K70 L71	I21-I52 PolarHBondContact N-O 2.88Å; I21-I52 PolarHBondContact O-N 2.98Å; I23-I52 HydrophobicContact CG1-CD1 4.06Å; I23-I52 HydrophobicContact CG1-CG1 4.44Å; I52-F63 HydrophobicContact CB-CE2 4.48Å; I52-F63 HydrophobicContact CB-CZ 4.43Å; I52-F63 HydrophobicContact CD1-CZ 4.37Å; I52-F63 HydrophobicContact CG2-CE2 4.1Å; I52-I66 HydrophobicContact CG2-CG2 4.25Å; I52-L67 HydrophobicContact CD1-CD2 3.11Å; I52-L67 HydrophobicContact CD1-CG 3.79Å; I52-K70 HydrophobicContact CG2-CD 4.03Å; I52-L71 HydrophobicContact CD1-CD1 3.36Å; I52-L71 HydrophobicContact CG1-CD1 3.57Å
53	R	86.8	Confident	86.9	Confident	138 Å²	138	57 Å²	57	52%	0.521	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.5	168.4	-172	165.9	-68.3	175	0.3	110.1	L18 A19 D20 K70	L18-R53 HydrophobicContact CB-CG 3.89Å; L18-R53 HydrophobicContact CD1-CG 4.49Å; L18-R53 HydrophobicContact CD2-CG 4.28Å; L18-R53 HydrophobicContact CG-CG 4.45Å; A19-R53 WeakPolarHBondContact O-CA 3.39Å; D20-R53 VanDerWaalsContact OD1-CB 3.3Å; D20-R53 WeakPolarHBondContact OD1-CB 3.44Å; D20-R53 WeakPolarHBondContact OD1-CG 3.36Å; D20-R53 IonicContact OD1-CZ 2.67Å; D20-R53 IonicContact OD1-NE 3.36Å; D20-R53 PolarHBondContact OD1-NE 3.14Å; D20-R53 IonicContact OD1-NH2 3.92Å; D20-R53 PolarHBondContact OD1-NH2 3.14Å; D20-R53 IonicContact OD2-CZ 2.63Å; D20-R53 IonicContact OD2-NE 3.67Å; D20-R53 IonicContact OD2-NH2 3.58Å; D20-R53 PolarHBondContact OD2-NH2 3.07Å; R53-K70 PolarHBondContact O-NZ 2.88Å
54	S	84.2	Confident	87.2	Confident	5 Å²	5	58.2 Å²	58.2	4%	0.035	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.5	-179.7	-159.5	0	0	0	0	112.3	L18 A19 I58 I66	L18-S54 CarbonylContact C-O 3.56Å; L18-S54 WeakPolarHBondContact CA-O 3.33Å; A19-S54 PolarHBondContact N-O 2.81Å; A19-S54 PolarHBondContact O-N 3.09Å; S54-I58 WeakPolarHBondContact OG-CD1 3.38Å; S54-I66 WeakPolarHBondContact OG-CD1 3.36Å
55	K	85.2	Confident	87.3	Confident	100 Å²	100	54.4 Å²	54.4	44%	0.435	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	140.3	175.1	-73	-177	177.7	-179.8	0	109.5	L18 D57 I58	L18-K55 HydrophobicContact CD2-CG 3.83Å; K55-D57 VanDerWaalsContact C-N 3.34Å; K55-D57 PolarHBondContact O-N 2.8Å; K55-I58 HydrophobicContact CB-CG2 3.96Å; K55-I58 WeakPolarHBondContact O-CG1 3.21Å
56	I	83.8	Confident	87.2	Confident	38 Å²	38	51.3 Å²	51.3	20%	0.195	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.5	-173.8	-69.5	163.9	0	0	0	113.1	Q17 A19 I58 S104 L107	Q17-I56 HydrophobicContact CB-CB 4.43Å; Q17-I56 HydrophobicContact CB-CD1 3.78Å; Q17-I56 HydrophobicContact CB-CG1 4.43Å; Q17-I56 WeakPolarHBondContact O-CD1 3.49Å; Q17-I56 WeakPolarHBondContact O-CG1 3.41Å; Q17-I56 PolarHBondContact O-N 2.94Å; A19-I56 HydrophobicContact CB-CD1 3.92Å; A19-I56 HydrophobicContact CB-CG1 3.55Å; I56-I58 PolarHBondContact O-N 2.71Å; I56-S104 PolarHBondContact O-N 3.19Å; I56-L107 HydrophobicContact CD1-CD1 4.43Å; I56-L107 HydrophobicContact CG1-CD1 3.86Å; I56-L107 HydrophobicContact CG2-CD1 4.29Å
57	D	83.9	Confident	87.1	Confident	105 Å²	105	50.4 Å²	50.4	56%	0.561	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	6.6	-172.8	-80.5	-37.3	0	0	0	115.5	K55	K55-D57 VanDerWaalsContact C-N 3.34Å; K55-D57 PolarHBondContact O-N 2.8Å
58	I	89.9	Confident	86.8	Confident	23 Å²	23	52 Å²	52	12%	0.118	26%	0.263	C	S	.	.			trans	-82.8	154.8	177.6	72.5	178.4	0	0	0	111.6	S54 K55 I56 E62 F63 I66 K102 V103	S54-I58 WeakPolarHBondContact OG-CD1 3.38Å; K55-I58 HydrophobicContact CB-CG2 3.96Å; K55-I58 WeakPolarHBondContact O-CG1 3.21Å; I56-I58 PolarHBondContact O-N 2.71Å; I58-E62 WeakPolarHBondContact CA-OE2 3.38Å; I58-E62 HydrophobicContact CB-CB 4.28Å; I58-F63 HydrophobicContact CD1-CB 3.88Å; I58-F63 HydrophobicContact CD1-CD2 3.77Å; I58-F63 HydrophobicContact CD1-CG 4.28Å; I58-F63 HydrophobicContact CG1-CB 4.42Å; I58-I66 HydrophobicContact CD1-CD1 3.53Å; I58-K102 WeakPolarHBondContact O-CA 3.38Å; I58-V103 HydrophobicContact CD1-CG2 4.05Å; I58-V103 HydrophobicContact CG1-CB 4.19Å; I58-V103 HydrophobicContact CG1-CG2 3.57Å; I58-V103 PolarHBondContact O-N 3.25Å
59	T	91	Very high	86.4	Confident	28 Å²	28	56.8 Å²	56.8	17%	0.172	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-81	162.2	173.3	60.9	0	0	0	0	111.8	A61 E62 F63 P99 F101	T59-A61 PolarHBondContact O-N 2.82Å; T59-E62 PolarHBondContact N-OE2 3.22Å; T59-E62 PolarHBondContact O-N 3.3Å; T59-E62 WeakPolarHBondContact OG1-CG 3.45Å; T59-E62 PolarHBondContact OG1-N 3.03Å; T59-E62 PolarHBondContact OG1-OE2 2.79Å; T59-E62 VanDerWaalsContact OG1-OE2 3.06Å; T59-F63 WeakPolarHBondContact O-CB 3.4Å; T59-F63 PolarHBondContact O-N 3.5Å; T59-P99 WeakPolarHBondContact CG2-O 3.43Å; T59-F101 CarbonylContact C-O 3.55Å; T59-F101 WeakPolarHBondContact CA-O 3.29Å
60	L	89.3	Confident	86.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-29.5	173.6	-73.4	-176.1	0	0	0	112.7	F63 R64 F82 I93 E98 F101 F106 I116	L60-F63 HydrophobicContact CD2-CD1 4.23Å; L60-F63 PolarHBondContact O-N 3.03Å; L60-R64 PolarHBondContact O-N 2.91Å; L60-F82 HydrophobicContact CB-CE2 4.43Å; L60-F82 HydrophobicContact CD1-CB 4.45Å; L60-F82 HydrophobicContact CD1-CD2 4.48Å; L60-F82 HydrophobicContact CD1-CG 4.43Å; L60-I93 HydrophobicContact CD1-CD1 3.56Å; L60-I93 HydrophobicContact CD1-CG2 4.49Å; L60-E98 HydrophobicContact CB-CB 4.06Å; L60-E98 HydrophobicContact CB-CG 4.41Å; L60-E98 PolarHBondContact N-O 3.43Å; L60-F101 HydrophobicContact CD1-CB 3.56Å; L60-F101 HydrophobicContact CD1-CD2 4.45Å; L60-F101 HydrophobicContact CD1-CG 4.23Å; L60-F101 HydrophobicContact CG-CB 3.8Å; L60-F101 PolarHBondContact N-O 3.12Å; L60-F106 HydrophobicContact CD1-CE2 3.82Å; L60-F106 HydrophobicContact CD1-CZ 3.87Å; L60-F106 HydrophobicContact CD2-CD2 4.36Å; L60-F106 HydrophobicContact CD2-CE2 3.87Å; L60-F106 HydrophobicContact CD2-CZ 4.45Å; L60-F106 HydrophobicContact CG-CE2 4.05Å; L60-I116 HydrophobicContact CD2-CD1 4.05Å
61	A	88.3	Confident	85.4	Confident	33 Å²	33	62.8 Å²	62.8	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-47.8	175.6	0	0	0	0	0	111.4	T59 F63 R64 E98 P99	T59-A61 PolarHBondContact O-N 2.82Å; A61-F63 VanDerWaalsContact C-N 3.3Å; A61-F63 PolarHBondContact O-N 3.39Å; A61-R64 WeakPolarHBondContact O-CB 3.48Å; A61-R64 PolarHBondContact O-N 2.87Å; A61-E98 HydrophobicContact CB-CB 4.31Å; A61-P99 HydrophobicContact CB-CG 4.37Å
62	E	89.3	Confident	84.3	Confident	97 Å²	97	64.1 Å²	64.1	45%	0.453	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-33.9	173.3	-66.5	164	148	0	0	111.6	I58 T59 R64 E65 I66	I58-E62 WeakPolarHBondContact CA-OE2 3.38Å; I58-E62 HydrophobicContact CB-CB 4.28Å; T59-E62 PolarHBondContact N-OE2 3.22Å; T59-E62 PolarHBondContact O-N 3.3Å; T59-E62 WeakPolarHBondContact OG1-CG 3.45Å; T59-E62 PolarHBondContact OG1-N 3.03Å; T59-E62 PolarHBondContact OG1-OE2 2.79Å; T59-E62 VanDerWaalsContact OG1-OE2 3.06Å; E62-R64 VanDerWaalsContact C-N 3.35Å; E62-E65 PolarHBondContact O-N 2.95Å; E62-I66 WeakPolarHBondContact O-CG1 3.34Å; E62-I66 PolarHBondContact O-N 3.1Å
63	F	90	Very high	83	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67.2	-34	177.2	-172.2	-118.9	0	0	0	112.6	I21 I23 I52 I58 T59 L60 A61 E65 I66 L67 F82 V103 I116	I21-F63 HydrophobicContact CD1-CE2 4.08Å; I21-F63 HydrophobicContact CD1-CZ 4.06Å; I23-F63 HydrophobicContact CD1-CE1 3.8Å; I23-F63 HydrophobicContact CD1-CZ 3.91Å; I52-F63 HydrophobicContact CB-CE2 4.48Å; I52-F63 HydrophobicContact CB-CZ 4.43Å; I52-F63 HydrophobicContact CD1-CZ 4.37Å; I52-F63 HydrophobicContact CG2-CE2 4.1Å; I58-F63 HydrophobicContact CD1-CB 3.88Å; I58-F63 HydrophobicContact CD1-CD2 3.77Å; I58-F63 HydrophobicContact CD1-CG 4.28Å; I58-F63 HydrophobicContact CG1-CB 4.42Å; T59-F63 WeakPolarHBondContact O-CB 3.4Å; T59-F63 PolarHBondContact O-N 3.5Å; L60-F63 HydrophobicContact CD2-CD1 4.23Å; L60-F63 PolarHBondContact O-N 3.03Å; A61-F63 VanDerWaalsContact C-N 3.3Å; A61-F63 PolarHBondContact O-N 3.39Å; F63-E65 VanDerWaalsContact C-N 3.32Å; F63-E65 PolarHBondContact O-N 3.38Å; F63-I66 PolarHBondContact O-N 2.98Å; F63-I66 VanDerWaalsContact O-N 3.15Å; F63-L67 HydrophobicContact CD1-CD1 3.56Å; F63-L67 HydrophobicContact CD1-CG 4.23Å; F63-L67 HydrophobicContact CE1-CD1 3.5Å; F63-L67 VanDerWaalsContact CE1-CD1 3.5Å; F63-L67 HydrophobicContact CE1-CG 3.96Å; F63-L67 HydrophobicContact CG-CD1 4.36Å; F63-L67 HydrophobicContact CZ-CD1 4.27Å; F63-L67 HydrophobicContact CZ-CG 4.24Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 PolarHBondContact O-N 3.03Å; F63-F82 HydrophobicContact CD1-CE1 4.43Å; F63-F82 HydrophobicContact CD1-CZ 4.47Å; F63-V103 HydrophobicContact CB-CG2 4.16Å; F63-V103 HydrophobicContact CD2-CG2 4.16Å; F63-V103 HydrophobicContact CG-CG2 4.04Å; F63-I116 HydrophobicContact CD1-CD1 4.17Å; F63-I116 HydrophobicContact CE1-CD1 3.71Å; F63-I116 HydrophobicContact CZ-CD1 4.45Å
64	R	88.7	Confident	81.8	Confident	51 Å²	51	73.2 Å²	73.2	19%	0.192	35%	0.348	C	S	.	.	H	α-helix	trans	-56.9	-45	170.8	166.7	171.4	-64.1	138.9	3.1	111.4	L60 A61 E62 I66 L67 E68 Y80 F82 E98	L60-R64 PolarHBondContact O-N 2.91Å; A61-R64 WeakPolarHBondContact O-CB 3.48Å; A61-R64 PolarHBondContact O-N 2.87Å; E62-R64 VanDerWaalsContact C-N 3.35Å; R64-I66 PolarHBondContact O-N 2.8Å; R64-L67 WeakPolarHBondContact O-CB 3.31Å; R64-L67 PolarHBondContact O-N 2.73Å; R64-E68 WeakPolarHBondContact CD-OE1 3.37Å; R64-E68 WeakPolarHBondContact CG-OE1 3.37Å; R64-E68 WeakPolarHBondContact O-CG 3.46Å; R64-E68 PolarHBondContact O-N 2.87Å; R64-Y80 WeakPolarHBondContact CG-OH 3.37Å; R64-Y80 PolarHBondContact NH2-O 2.59Å; R64-F82 HydrophobicContact CB-CE2 4.06Å; R64-F82 HydrophobicContact CB-CZ 4.1Å; R64-E98 IonicContact CZ-OE1 3.97Å; R64-E98 VanDerWaalsContact CZ-OE1 3.24Å; R64-E98 IonicContact CZ-OE2 2.68Å; R64-E98 IonicContact NH1-OE1 3.27Å; R64-E98 PolarHBondContact NH1-OE1 3.41Å; R64-E98 IonicContact NH1-OE2 3.04Å; R64-E98 PolarHBondContact NH1-OE2 2.86Å; R64-E98 VanDerWaalsContact NH2-CD 3.32Å; R64-E98 IonicContact NH2-OE1 3.09Å; R64-E98 PolarHBondContact NH2-OE1 3.32Å; R64-E98 IonicContact NH2-OE2 3.95Å; R64-E98 PolarHBondContact NH2-OE2 3.35Å
65	E	86.2	Confident	81.1	Confident	113 Å²	113	77.3 Å²	77.3	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-64.3	-31.5	177.4	-61.5	-175	-171.1	0	0	112.6	E62 F63 K69	E62-E65 PolarHBondContact O-N 2.95Å; F63-E65 VanDerWaalsContact C-N 3.32Å; F63-E65 PolarHBondContact O-N 3.38Å; E65-K69 WeakPolarHBondContact O-CB 3.48Å; E65-K69 WeakPolarHBondContact O-CD 3.47Å; E65-K69 VanDerWaalsContact O-CG 3.25Å; E65-K69 WeakPolarHBondContact O-CG 3.46Å; E65-K69 PolarHBondContact O-N 2.98Å
66	I	85.5	Confident	80.8	Confident	42 Å²	42	73.3 Å²	73.3	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-73.9	-39.3	175.8	-63.9	171.3	0	0	0	110.7	I52 S54 I58 E62 F63 R64 K69 K70	I52-I66 HydrophobicContact CG2-CG2 4.25Å; S54-I66 WeakPolarHBondContact OG-CD1 3.36Å; I58-I66 HydrophobicContact CD1-CD1 3.53Å; E62-I66 WeakPolarHBondContact O-CG1 3.34Å; E62-I66 PolarHBondContact O-N 3.1Å; F63-I66 PolarHBondContact O-N 2.98Å; F63-I66 VanDerWaalsContact O-N 3.15Å; R64-I66 PolarHBondContact O-N 2.8Å; I66-K69 PolarHBondContact O-N 3.22Å; I66-K70 HydrophobicContact CG2-CD 3.86Å; I66-K70 HydrophobicContact CG2-CG 4.28Å; I66-K70 WeakPolarHBondContact O-CB 3.29Å; I66-K70 PolarHBondContact O-N 3.18Å
67	L	84.7	Confident	80.5	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-51.8	176	-89	160.6	0	0	0	111	I23 I52 F63 R64 K69 K70 L71 L76 F82	I23-L67 HydrophobicContact CD1-CD2 4.38Å; I23-L67 HydrophobicContact CG1-CD2 4.03Å; I23-L67 HydrophobicContact CG2-CD2 4.48Å; I52-L67 HydrophobicContact CD1-CD2 3.11Å; I52-L67 HydrophobicContact CD1-CG 3.79Å; F63-L67 HydrophobicContact CD1-CD1 3.56Å; F63-L67 HydrophobicContact CD1-CG 4.23Å; F63-L67 HydrophobicContact CE1-CD1 3.5Å; F63-L67 VanDerWaalsContact CE1-CD1 3.5Å; F63-L67 HydrophobicContact CE1-CG 3.96Å; F63-L67 HydrophobicContact CG-CD1 4.36Å; F63-L67 HydrophobicContact CZ-CD1 4.27Å; F63-L67 HydrophobicContact CZ-CG 4.24Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 PolarHBondContact O-N 3.03Å; R64-L67 WeakPolarHBondContact O-CB 3.31Å; R64-L67 PolarHBondContact O-N 2.73Å; L67-K69 VanDerWaalsContact C-N 3.25Å; L67-K69 PolarHBondContact O-N 3.33Å; L67-K70 PolarHBondContact O-N 3.42Å; L67-L71 HydrophobicContact CD2-CD2 4.44Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 PolarHBondContact O-N 2.83Å; L67-L76 HydrophobicContact CB-CD2 4.43Å; L67-F82 HydrophobicContact CD1-CE1 3.58Å; L67-F82 HydrophobicContact CD1-CZ 3.63Å
68	E	81.4	Confident	80.2	Confident	114 Å²	114	74.2 Å²	74.2	53%	0.533	36%	0.358	S	S	.	.	H	α-helix	trans	-64.2	-29	179.9	-70.1	168.6	-166.4	0	0	112.7	R64	R64-E68 WeakPolarHBondContact CD-OE1 3.37Å; R64-E68 WeakPolarHBondContact CG-OE1 3.37Å; R64-E68 WeakPolarHBondContact O-CG 3.46Å; R64-E68 PolarHBondContact O-N 2.87Å
69	K	80.7	Confident	79.9	Confident	164 Å²	164	76 Å²	76	71%	0.713	37%	0.368	S	S	*	.	H	α-helix	trans	-81.1	-33.8	176.8	-75.1	171.3	-174.7	160.4	0	113.9	E65 I66 L67	E65-K69 WeakPolarHBondContact O-CB 3.48Å; E65-K69 WeakPolarHBondContact O-CD 3.47Å; E65-K69 VanDerWaalsContact O-CG 3.25Å; E65-K69 WeakPolarHBondContact O-CG 3.46Å; E65-K69 PolarHBondContact O-N 2.98Å; I66-K69 PolarHBondContact O-N 3.22Å; L67-K69 VanDerWaalsContact C-N 3.25Å; L67-K69 PolarHBondContact O-N 3.33Å
70	K	77.8	Confident	79.8	Confident	128 Å²	128	75 Å²	75	56%	0.557	36%	0.361	S	S	*	.	H	α-helix	trans	-100.3	-32	-171	-74	-170.4	177	-174.3	0	114	I52 R53 I66 L67	I52-K70 HydrophobicContact CG2-CD 4.03Å; R53-K70 PolarHBondContact O-NZ 2.88Å; I66-K70 HydrophobicContact CG2-CD 3.86Å; I66-K70 HydrophobicContact CG2-CG 4.28Å; I66-K70 WeakPolarHBondContact O-CB 3.29Å; I66-K70 PolarHBondContact O-N 3.18Å; L67-K70 PolarHBondContact O-N 3.42Å
71	L	72.3	Confident	79.8	Confident	25 Å²	25	75.6 Å²	75.6	13%	0.131	37%	0.365	C	S	.	.	S	Bend	trans	-92.1	130	171.5	-95.9	65.1	0	0	0	108.3	A49 I52 L67	A49-L71 HydrophobicContact CB-CD2 3.94Å; I52-L71 HydrophobicContact CD1-CD1 3.36Å; I52-L71 HydrophobicContact CG1-CD1 3.57Å; L67-L71 HydrophobicContact CD2-CD2 4.44Å; L67-L71 WeakPolarHBondContact O-CB 3.39Å; L67-L71 PolarHBondContact O-N 2.83Å
72	E	64	Low	80	Confident	138 Å²	138	74 Å²	74	65%	0.645	35%	0.352	S	S	*	.			trans	-62.8	145.6	168.7	-66.4	176.6	-173.2	0	0	110	Q74 I75	E72-Q74 PolarHBondContact O-N 3.39Å; E72-Q74 PolarHBondContact OE2-NE2 3.44Å; E72-I75 PolarHBondContact O-N 2.92Å
73	E	60.5	Low	80.1	Confident	167 Å²	167	69.4 Å²	69.4	78%	0.78	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-10.7	178.7	-66	177.6	173.6	0	0	114.1
74	Q	60.5	Low	80	Confident	167 Å²	167	71.9 Å²	71.9	78%	0.78	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.6	-177.4	-67.8	-177	57.8	0	0	114.5	E72	E72-Q74 PolarHBondContact O-N 3.39Å; E72-Q74 PolarHBondContact OE2-NE2 3.44Å
75	I	70.3	Confident	80	Confident	91 Å²	91	72.7 Å²	72.7	47%	0.467	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-35.2	-172.8	-52.4	175.7	0	0	0	112.2	A49 E72	A49-I75 HydrophobicContact CB-CG2 3.78Å; E72-I75 PolarHBondContact O-N 2.92Å
76	L	78.1	Confident	79.9	Confident	15 Å²	15	71.9 Å²	71.9	8%	0.079	35%	0.349	C	S	.	.	S	Bend	trans	-95.7	135	-178.2	-159	73.4	0	0	0	109.5	L67 Y80 V118	L67-L76 HydrophobicContact CB-CD2 4.43Å; L76-Y80 HydrophobicContact CD2-CD1 3.73Å; L76-Y80 HydrophobicContact CD2-CE1 3.29Å; L76-Y80 HydrophobicContact CD2-CE2 4.35Å; L76-Y80 HydrophobicContact CD2-CG 4.43Å; L76-Y80 HydrophobicContact CG-CD1 3.97Å; L76-Y80 HydrophobicContact CG-CE1 4.06Å; L76-Y80 HydrophobicContact CG-CG 4.42Å; L76-V118 HydrophobicContact CD1-CG1 4.12Å
77	P	79	Confident	79.8	Confident	23 Å²	23	73.1 Å²	73.1	15%	0.149	37%	0.372	C	S	.	.			trans	-58.1	147.4	175.3	-22.1	32	0	0	0	112.3	V25 D79 Y80 D120	V25-P77 HydrophobicContact CG1-CG 4.29Å; P77-D79 VanDerWaalsContact C-N 3.25Å; P77-D79 PolarHBondContact O-N 2.94Å; P77-Y80 WeakPolarHBondContact O-CD1 3.49Å; P77-D120 HydrophobicContact CB-CB 3.85Å; P77-D120 HydrophobicContact CG-CB 3.82Å
78	N	76.3	Confident	79.7	Confident	139 Å²	139	78.6 Å²	78.6	74%	0.743	40%	0.398	S	S	*	.	S	Bend	trans	-57.3	-36.8	179.7	-68	-26	0	0	0	113.2
79	D	84.2	Confident	80.1	Confident	61 Å²	61	74.7 Å²	74.7	33%	0.326	38%	0.383	S	S	.	.	S	Bend	trans	-130.5	123.3	173.1	-170.8	1.9	0	0	0	108.3	P77 R121	P77-D79 VanDerWaalsContact C-N 3.25Å; P77-D79 PolarHBondContact O-N 2.94Å; D79-R121 HydrophobicContact CB-CB 4.14Å; D79-R121 WeakPolarHBondContact O-CB 3.49Å; D79-R121 PolarHBondContact O-N 2.91Å; D79-R121 IonicContact OD1-NH1 3.46Å; D79-R121 VanDerWaalsContact OD2-CD 3.28Å; D79-R121 WeakPolarHBondContact OD2-CD 3.38Å; D79-R121 IonicContact OD2-CZ 3.07Å; D79-R121 IonicContact OD2-NE 3.14Å; D79-R121 IonicContact OD2-NH1 2.73Å; D79-R121 PolarHBondContact OD2-NH1 3.28Å
80	Y	88.4	Confident	80.5	Confident	6 Å²	6	66.9 Å²	66.9	2%	0.024	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.9	-168.8	71.8	-95.2	0	0	0	113.1	R64 L76 P77 F82 V118 I119	R64-Y80 WeakPolarHBondContact CG-OH 3.37Å; R64-Y80 PolarHBondContact NH2-O 2.59Å; L76-Y80 HydrophobicContact CD2-CD1 3.73Å; L76-Y80 HydrophobicContact CD2-CE1 3.29Å; L76-Y80 HydrophobicContact CD2-CE2 4.35Å; L76-Y80 HydrophobicContact CD2-CG 4.43Å; L76-Y80 HydrophobicContact CG-CD1 3.97Å; L76-Y80 HydrophobicContact CG-CE1 4.06Å; L76-Y80 HydrophobicContact CG-CG 4.42Å; P77-Y80 WeakPolarHBondContact O-CD1 3.49Å; Y80-F82 HydrophobicContact CE2-CD1 4.35Å; Y80-F82 AromaticContact CE2-CE1 3.78Å; Y80-F82 HydrophobicContact CE2-CE1 3.78Å; Y80-F82 AromaticContact CE2-CE2 3.99Å; Y80-F82 HydrophobicContact CE2-CE2 3.99Å; Y80-F82 AromaticContact CE2-CZ 3.59Å; Y80-F82 HydrophobicContact CE2-CZ 3.59Å; Y80-V118 VanDerWaalsContact CB-CG1 3.42Å; Y80-V118 HydrophobicContact CD2-CB 4.42Å; Y80-V118 HydrophobicContact CD2-CG1 3.36Å; Y80-V118 HydrophobicContact CD2-CG2 4.16Å; Y80-V118 HydrophobicContact CE2-CG1 4.32Å; Y80-V118 HydrophobicContact CE2-CG2 4.44Å; Y80-V118 HydrophobicContact CG-CG1 3.61Å; Y80-I119 CarbonylContact C-O 3.55Å; Y80-I119 VanDerWaalsContact CA-O 3.31Å; Y80-I119 WeakPolarHBondContact CA-O 3.34Å
81	I	90	Very high	81	Confident	14 Å²	14	62 Å²	62	7%	0.072	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.1	-178.4	-45.8	177.5	0	0	0	110.2	R92 I93 V118 I119 R121 I124	I81-R92 HydrophobicContact CB-CG 4.28Å; I81-R92 HydrophobicContact CD1-CG 4.46Å; I81-R92 HydrophobicContact CG2-CG 3.35Å; I81-I93 WeakPolarHBondContact CG2-O 3.26Å; I81-V118 WeakPolarHBondContact O-CA 3.28Å; I81-I119 HydrophobicContact CB-CG2 4.19Å; I81-I119 PolarHBondContact N-O 2.97Å; I81-I119 PolarHBondContact O-N 3.32Å; I81-R121 HydrophobicContact CD1-CB 4.21Å; I81-R121 HydrophobicContact CD1-CG 4.07Å; I81-R121 HydrophobicContact CG1-CB 4.06Å; I81-R121 HydrophobicContact CG1-CG 4.34Å; I81-I124 HydrophobicContact CD1-CD1 4Å
82	F	92.4	Very high	81.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.9	174.9	-67.5	-69.4	0	0	0	111.5	L60 F63 R64 L67 Y80 I93 E98 I116 Y117 V118	L60-F82 HydrophobicContact CB-CE2 4.43Å; L60-F82 HydrophobicContact CD1-CB 4.45Å; L60-F82 HydrophobicContact CD1-CD2 4.48Å; L60-F82 HydrophobicContact CD1-CG 4.43Å; F63-F82 HydrophobicContact CD1-CE1 4.43Å; F63-F82 HydrophobicContact CD1-CZ 4.47Å; R64-F82 HydrophobicContact CB-CE2 4.06Å; R64-F82 HydrophobicContact CB-CZ 4.1Å; L67-F82 HydrophobicContact CD1-CE1 3.58Å; L67-F82 HydrophobicContact CD1-CZ 3.63Å; Y80-F82 HydrophobicContact CE2-CD1 4.35Å; Y80-F82 AromaticContact CE2-CE1 3.78Å; Y80-F82 HydrophobicContact CE2-CE1 3.78Å; Y80-F82 AromaticContact CE2-CE2 3.99Å; Y80-F82 HydrophobicContact CE2-CE2 3.99Å; Y80-F82 AromaticContact CE2-CZ 3.59Å; Y80-F82 HydrophobicContact CE2-CZ 3.59Å; F82-I93 HydrophobicContact CB-CB 4.13Å; F82-I93 HydrophobicContact CB-CD1 3.95Å; F82-I93 HydrophobicContact CB-CG1 4.38Å; F82-I93 WeakPolarHBondContact O-CB 3.32Å; F82-I93 PolarHBondContact O-N 2.98Å; F82-E98 HydrophobicContact CD2-CG 4.16Å; F82-I116 HydrophobicContact CD1-CG2 3.73Å; F82-I116 HydrophobicContact CE1-CG2 4.19Å; F82-Y117 CarbonylContact C-O 3.6Å; F82-V118 HydrophobicContact CD1-CG2 3.96Å; F82-V118 HydrophobicContact CE1-CG2 4.19Å
83	C	91.2	Very high	83.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.6	176.9	-66.8	0	0	0	0	110.2	I26 G91 Y117	I26-C83 HydrophobicContact CD1-CB 4.15Å; C83-G91 CarbonylContact C-O 3.48Å; C83-G91 VanDerWaalsContact CA-O 3.22Å; C83-G91 WeakPolarHBondContact CA-O 3.41Å; C83-Y117 PolarHBondContact N-O 3Å; C83-Y117 PolarHBondContact O-N 2.81Å
84	K	88.6	Confident	84.4	Confident	52 Å²	52	53.1 Å²	53.1	23%	0.226	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.4	176.5	-175.4	172.9	-175.9	178.9	0	110.3	V86 L90 G91 I93 F101 E105 F106	K84-V86 PolarHBondContact O-N 2.73Å; K84-L90 WeakPolarHBondContact O-CA 3.5Å; K84-G91 PolarHBondContact N-O 3.31Å; K84-G91 PolarHBondContact O-N 2.71Å; K84-I93 HydrophobicContact CB-CD1 4.01Å; K84-I93 HydrophobicContact CB-CG1 4.22Å; K84-F101 HydrophobicContact CD-CD1 4.48Å; K84-F101 HydrophobicContact CD-CE1 4Å; K84-E105 IonicContact NZ-OE2 3.28Å; K84-E105 PolarHBondContact NZ-OE2 2.99Å; K84-F106 HydrophobicContact CB-CE1 3.92Å; K84-F106 HydrophobicContact CB-CZ 4.33Å; K84-F106 HydrophobicContact CD-CE1 4.07Å; K84-F106 HydrophobicContact CD-CZ 4.1Å; K84-F106 HydrophobicContact CG-CE1 3.77Å; K84-F106 HydrophobicContact CG-CZ 4.26Å
85	Q	87.2	Confident	85.5	Confident	67 Å²	67	49.1 Å²	49.1	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123	171.5	-172.4	167.6	-25.1	0	0	111.2	L90	Q85-L90 HydrophobicContact CB-CD2 3.96Å; Q85-L90 HydrophobicContact CG-CD2 4.46Å
86	V	84.3	Confident	86.5	Confident	96 Å²	96	50.8 Å²	50.8	58%	0.582	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	99.3	177.4	-175.5	0	0	0	0	108.2	K84 H88 S89	K84-V86 PolarHBondContact O-N 2.73Å; V86-H88 PolarHBondContact O-N 3.42Å; V86-S89 CarbonylContact C-O 3.6Å; V86-S89 PolarHBondContact N-O 2.92Å; V86-S89 PolarHBondContact O-N 3.45Å; V86-S89 VanDerWaalsContact O-O 3.07Å
87	G	83.1	Confident	87	Confident	68 Å²	68	53.6 Å²	53.6	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	-118.6	-175.9	0	0	0	0	0	111.7
88	H	84.3	Confident	87.6	Confident	116 Å²	116	52.8 Å²	52.8	54%	0.537	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	9	-178.4	-159.3	53.4	0	0	0	114.2	S40 V86	S40-H88 WeakPolarHBondContact CB-O 3.5Å; S40-H88 PolarHBondContact N-O 3.37Å; V86-H88 PolarHBondContact O-N 3.42Å
89	S	88.4	Confident	88.2	Confident	31 Å²	31	49.7 Å²	49.7	22%	0.217	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.2	-169.3	-76.7	0	0	0	0	111.3	T37 A38 V86	T37-S89 WeakPolarHBondContact OG1-CB 3.36Å; A38-S89 CarbonylContact O-C 3.5Å; A38-S89 WeakPolarHBondContact O-CA 3.33Å; V86-S89 CarbonylContact C-O 3.6Å; V86-S89 PolarHBondContact N-O 2.92Å; V86-S89 PolarHBondContact O-N 3.45Å; V86-S89 VanDerWaalsContact O-O 3.07Å
90	L	89.6	Confident	88.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.5	171.8	-66.3	174	0	0	0	108.3	I26 W31 T37 A38 I43 K84 Q85 Y117	I26-L90 HydrophobicContact CD1-CD1 3.68Å; I26-L90 HydrophobicContact CG1-CD1 4.38Å; W31-L90 HydrophobicContact CZ3-CB 4.49Å; T37-L90 VanDerWaalsContact CA-O 3.31Å; T37-L90 WeakPolarHBondContact CA-O 3.49Å; T37-L90 WeakPolarHBondContact CB-O 3.47Å; T37-L90 PolarHBondContact OG1-O 2.8Å; A38-L90 HydrophobicContact CB-CB 4.31Å; A38-L90 HydrophobicContact CB-CD1 4.15Å; A38-L90 PolarHBondContact N-O 3.1Å; A38-L90 PolarHBondContact O-N 3.32Å; I43-L90 HydrophobicContact CD1-CD1 4.35Å; I43-L90 HydrophobicContact CD1-CD2 4.21Å; I43-L90 HydrophobicContact CD1-CG 4.4Å; I43-L90 HydrophobicContact CG1-CD1 3.94Å; I43-L90 HydrophobicContact CG1-CG 4.48Å; K84-L90 WeakPolarHBondContact O-CA 3.5Å; Q85-L90 HydrophobicContact CB-CD2 3.96Å; Q85-L90 HydrophobicContact CG-CD2 4.46Å; L90-Y117 HydrophobicContact CD1-CD1 4.17Å; L90-Y117 HydrophobicContact CD1-CG 4.19Å; L90-Y117 HydrophobicContact CD2-CD2 3.64Å; L90-Y117 HydrophobicContact CD2-CE2 3.91Å; L90-Y117 HydrophobicContact CD2-CG 4.06Å
91	G	88.5	Confident	88.6	Confident	24 Å²	24	54.6 Å²	54.6	25%	0.247	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.7	179	0	0	0	0	0	111.7	C83 K84	C83-G91 CarbonylContact C-O 3.48Å; C83-G91 VanDerWaalsContact CA-O 3.22Å; C83-G91 WeakPolarHBondContact CA-O 3.41Å; K84-G91 PolarHBondContact N-O 3.31Å; K84-G91 PolarHBondContact O-N 2.71Å
92	R	89.7	Confident	88.6	Confident	74 Å²	74	58.3 Å²	58.3	28%	0.279	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.2	179	-169	177	74.3	161.8	11	111.7	W31 N36 I81	W31-R92 HydrophobicContact CH2-CB 4.31Å; W31-R92 HydrophobicContact CZ2-CB 4.34Å; N36-R92 PolarHBondContact ND2-NE 3.34Å; I81-R92 HydrophobicContact CB-CG 4.28Å; I81-R92 HydrophobicContact CD1-CG 4.46Å; I81-R92 HydrophobicContact CG2-CG 3.35Å
93	I	90.4	Very high	88.4	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.026	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-86.1	124.5	171.2	-55.1	178.6	0	0	0	107.9	L60 I81 F82 K84 Q97 E98 F101 F106	L60-I93 HydrophobicContact CD1-CD1 3.56Å; L60-I93 HydrophobicContact CD1-CG2 4.49Å; I81-I93 WeakPolarHBondContact CG2-O 3.26Å; F82-I93 HydrophobicContact CB-CB 4.13Å; F82-I93 HydrophobicContact CB-CD1 3.95Å; F82-I93 HydrophobicContact CB-CG1 4.38Å; F82-I93 WeakPolarHBondContact O-CB 3.32Å; F82-I93 PolarHBondContact O-N 2.98Å; K84-I93 HydrophobicContact CB-CD1 4.01Å; K84-I93 HydrophobicContact CB-CG1 4.22Å; I93-Q97 HydrophobicContact CG2-CB 3.93Å; I93-E98 HydrophobicContact CG2-CG 4.12Å; I93-F101 HydrophobicContact CD1-CD2 4.16Å; I93-F101 HydrophobicContact CD1-CE2 4.37Å; I93-F101 HydrophobicContact CG1-CE2 4.32Å; I93-F101 HydrophobicContact CG2-CD2 3.64Å; I93-F101 HydrophobicContact CG2-CE2 3.78Å; I93-F106 HydrophobicContact CD1-CE1 4.47Å; I93-F106 HydrophobicContact CD1-CZ 3.82Å
94	Q	87.1	Confident	88.2	Confident	66 Å²	66	59.6 Å²	59.6	31%	0.308	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-77.4	153.6	175.9	-61.1	-52.1	-81.6	0	0	111.1	N96 Q97 E98	Q94-N96 WeakPolarHBondContact CB-OD1 3.3Å; Q94-N96 PolarHBondContact O-N 3.01Å; Q94-Q97 HydrophobicContact CB-CG 4.15Å; Q94-Q97 WeakPolarHBondContact O-CA 3.42Å; Q94-Q97 WeakPolarHBondContact O-CB 3.4Å; Q94-Q97 PolarHBondContact O-N 2.99Å; Q94-E98 PolarHBondContact O-N 3.47Å
95	S	85.6	Confident	88.1	Confident	83 Å²	83	59.9 Å²	59.9	58%	0.58	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.9	179.8	-47.4	0	0	0	0	113.4	Q97 E98	S95-Q97 PolarHBondContact O-N 2.94Å; S95-E98 WeakPolarHBondContact CA-OE1 3.33Å; S95-E98 PolarHBondContact O-N 3.21Å
96	N	89.8	Confident	88.2	Confident	126 Å²	126	57 Å²	57	67%	0.674	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.6	174	68.1	-38	0	0	0	113.9	Q94	Q94-N96 WeakPolarHBondContact CB-OD1 3.3Å; Q94-N96 PolarHBondContact O-N 3.01Å
97	Q	90	Very high	88.3	Confident	73 Å²	73	53.1 Å²	53.1	34%	0.341	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-18.2	177.1	-62	176	-38.6	0	0	112.6	I93 Q94 S95 P99 L100 F101	I93-Q97 HydrophobicContact CG2-CB 3.93Å; Q94-Q97 HydrophobicContact CB-CG 4.15Å; Q94-Q97 WeakPolarHBondContact O-CA 3.42Å; Q94-Q97 WeakPolarHBondContact O-CB 3.4Å; Q94-Q97 PolarHBondContact O-N 2.99Å; S95-Q97 PolarHBondContact O-N 2.94Å; Q97-P99 VanDerWaalsContact C-CD 3.46Å; Q97-L100 WeakPolarHBondContact O-CA 3.4Å; Q97-L100 VanDerWaalsContact O-CB 3.23Å; Q97-L100 WeakPolarHBondContact O-CB 3.45Å; Q97-L100 PolarHBondContact O-N 2.91Å; Q97-F101 HydrophobicContact CB-CD2 4.22Å; Q97-F101 HydrophobicContact CB-CE2 3.94Å; Q97-F101 VanDerWaalsContact O-CD2 3.26Å; Q97-F101 WeakPolarHBondContact O-CD2 3.44Å; Q97-F101 PolarHBondContact O-N 3.31Å
98	E	90.6	Very high	88.2	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.028	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57.4	-37.7	-179.3	-66.9	170.1	-160.2	0	0	114.4	L60 A61 R64 F82 I93 Q94 S95 L100 F101	L60-E98 HydrophobicContact CB-CB 4.06Å; L60-E98 HydrophobicContact CB-CG 4.41Å; L60-E98 PolarHBondContact N-O 3.43Å; A61-E98 HydrophobicContact CB-CB 4.31Å; R64-E98 IonicContact CZ-OE1 3.97Å; R64-E98 VanDerWaalsContact CZ-OE1 3.24Å; R64-E98 IonicContact CZ-OE2 2.68Å; R64-E98 IonicContact NH1-OE1 3.27Å; R64-E98 PolarHBondContact NH1-OE1 3.41Å; R64-E98 IonicContact NH1-OE2 3.04Å; R64-E98 PolarHBondContact NH1-OE2 2.86Å; R64-E98 VanDerWaalsContact NH2-CD 3.32Å; R64-E98 IonicContact NH2-OE1 3.09Å; R64-E98 PolarHBondContact NH2-OE1 3.32Å; R64-E98 IonicContact NH2-OE2 3.95Å; R64-E98 PolarHBondContact NH2-OE2 3.35Å; F82-E98 HydrophobicContact CD2-CG 4.16Å; I93-E98 HydrophobicContact CG2-CG 4.12Å; Q94-E98 PolarHBondContact O-N 3.47Å; S95-E98 WeakPolarHBondContact CA-OE1 3.33Å; S95-E98 PolarHBondContact O-N 3.21Å; E98-L100 PolarHBondContact O-N 2.97Å; E98-F101 PolarHBondContact O-N 2.92Å
99	P	89.8	Confident	87.9	Confident	75 Å²	75	53.7 Å²	53.7	49%	0.487	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-67.3	-18	173.3	-20.4	34	0	0	0	113.6	T59 A61 Q97	T59-P99 WeakPolarHBondContact CG2-O 3.43Å; A61-P99 HydrophobicContact CB-CG 4.37Å; Q97-P99 VanDerWaalsContact C-CD 3.46Å
100	L	89.5	Confident	87.5	Confident	127 Å²	127	58.1 Å²	58.1	67%	0.665	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-84.1	-24.7	180	-54	176.9	0	0	0	112.3	Q97 E98	Q97-L100 WeakPolarHBondContact O-CA 3.4Å; Q97-L100 VanDerWaalsContact O-CB 3.23Å; Q97-L100 WeakPolarHBondContact O-CB 3.45Å; Q97-L100 PolarHBondContact O-N 2.91Å; E98-L100 PolarHBondContact O-N 2.97Å
101	F	91	Very high	87.1	Confident	43 Å²	43	59.5 Å²	59.5	19%	0.189	33%	0.326	C	S	.	.			trans	-95	124.7	-177.9	-75.2	-69.6	0	0	0	110.9	T59 L60 K84 I93 Q97 E98 E105 F106	T59-F101 CarbonylContact C-O 3.55Å; T59-F101 WeakPolarHBondContact CA-O 3.29Å; L60-F101 HydrophobicContact CD1-CB 3.56Å; L60-F101 HydrophobicContact CD1-CD2 4.45Å; L60-F101 HydrophobicContact CD1-CG 4.23Å; L60-F101 HydrophobicContact CG-CB 3.8Å; L60-F101 PolarHBondContact N-O 3.12Å; K84-F101 HydrophobicContact CD-CD1 4.48Å; K84-F101 HydrophobicContact CD-CE1 4Å; I93-F101 HydrophobicContact CD1-CD2 4.16Å; I93-F101 HydrophobicContact CD1-CE2 4.37Å; I93-F101 HydrophobicContact CG1-CE2 4.32Å; I93-F101 HydrophobicContact CG2-CD2 3.64Å; I93-F101 HydrophobicContact CG2-CE2 3.78Å; Q97-F101 HydrophobicContact CB-CD2 4.22Å; Q97-F101 HydrophobicContact CB-CE2 3.94Å; Q97-F101 VanDerWaalsContact O-CD2 3.26Å; Q97-F101 WeakPolarHBondContact O-CD2 3.44Å; Q97-F101 PolarHBondContact O-N 3.31Å; E98-F101 PolarHBondContact O-N 2.92Å; F101-E105 VanDerWaalsContact CD1-OE2 3.31Å; F101-E105 WeakPolarHBondContact CD1-OE2 3.42Å; F101-F106 HydrophobicContact CB-CE2 4.27Å
102	K	90	Very high	86.7	Confident	92 Å²	92	66.7 Å²	66.7	40%	0.4	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-94	150.8	171.3	-68.2	-172.9	176.8	-168.5	0	111.2	I58 S104 E105	I58-K102 WeakPolarHBondContact O-CA 3.38Å; K102-S104 WeakPolarHBondContact CB-OG 3.43Å; K102-S104 PolarHBondContact O-N 2.97Å; K102-E105 PolarHBondContact N-OE1 2.99Å; K102-E105 WeakPolarHBondContact O-CB 3.31Å; K102-E105 PolarHBondContact O-N 2.76Å
103	V	87.9	Confident	86.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-55.3	-34.8	172.6	161.9	0	0	0	0	112	I21 I58 F63 E105 F106 L107	I21-V103 HydrophobicContact CD1-CB 4.43Å; I21-V103 HydrophobicContact CD1-CG1 3.25Å; I21-V103 HydrophobicContact CD1-CG2 4.37Å; I21-V103 HydrophobicContact CG1-CG1 4.23Å; I58-V103 HydrophobicContact CD1-CG2 4.05Å; I58-V103 HydrophobicContact CG1-CB 4.19Å; I58-V103 HydrophobicContact CG1-CG2 3.57Å; I58-V103 PolarHBondContact O-N 3.25Å; F63-V103 HydrophobicContact CB-CG2 4.16Å; F63-V103 HydrophobicContact CD2-CG2 4.16Å; F63-V103 HydrophobicContact CG-CG2 4.04Å; V103-E105 PolarHBondContact O-N 2.96Å; V103-E105 VanDerWaalsContact O-N 3.11Å; V103-F106 PolarHBondContact O-N 3.31Å; V103-L107 HydrophobicContact CG1-CD1 4.33Å
104	S	86.5	Confident	86.3	Confident	27 Å²	27	69.6 Å²	69.6	19%	0.189	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-53.5	-28.1	174.1	56.1	0	0	0	0	114.8	I56 K102 F106 L107 Q110	I56-S104 PolarHBondContact O-N 3.19Å; K102-S104 WeakPolarHBondContact CB-OG 3.43Å; K102-S104 PolarHBondContact O-N 2.97Å; S104-F106 VanDerWaalsContact C-N 3.29Å; S104-F106 PolarHBondContact O-N 3.4Å; S104-L107 PolarHBondContact O-N 2.98Å; S104-Q110 PolarHBondContact O-OE1 2.96Å; S104-Q110 VanDerWaalsContact O-OE1 3.13Å
105	E	87.2	Confident	86.4	Confident	58 Å²	58	67.5 Å²	67.5	27%	0.271	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-74.2	-19.3	178.5	-67.5	-178.7	-129	0	0	114	K84 F101 K102 V103 L107	K84-E105 IonicContact NZ-OE2 3.28Å; K84-E105 PolarHBondContact NZ-OE2 2.99Å; F101-E105 VanDerWaalsContact CD1-OE2 3.31Å; F101-E105 WeakPolarHBondContact CD1-OE2 3.42Å; K102-E105 PolarHBondContact N-OE1 2.99Å; K102-E105 WeakPolarHBondContact O-CB 3.31Å; K102-E105 PolarHBondContact O-N 2.76Å; V103-E105 PolarHBondContact O-N 2.96Å; V103-E105 VanDerWaalsContact O-N 3.11Å; E105-L107 VanDerWaalsContact C-N 3.31Å
106	F	89.4	Confident	86.6	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.026	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-94.7	9	178.3	-62.3	-90.1	0	0	0	112	L60 K84 I93 F101 V103 S104 L113 S114 I116	L60-F106 HydrophobicContact CD1-CE2 3.82Å; L60-F106 HydrophobicContact CD1-CZ 3.87Å; L60-F106 HydrophobicContact CD2-CD2 4.36Å; L60-F106 HydrophobicContact CD2-CE2 3.87Å; L60-F106 HydrophobicContact CD2-CZ 4.45Å; L60-F106 HydrophobicContact CG-CE2 4.05Å; K84-F106 HydrophobicContact CB-CE1 3.92Å; K84-F106 HydrophobicContact CB-CZ 4.33Å; K84-F106 HydrophobicContact CD-CE1 4.07Å; K84-F106 HydrophobicContact CD-CZ 4.1Å; K84-F106 HydrophobicContact CG-CE1 3.77Å; K84-F106 HydrophobicContact CG-CZ 4.26Å; I93-F106 HydrophobicContact CD1-CE1 4.47Å; I93-F106 HydrophobicContact CD1-CZ 3.82Å; F101-F106 HydrophobicContact CB-CE2 4.27Å; V103-F106 PolarHBondContact O-N 3.31Å; S104-F106 VanDerWaalsContact C-N 3.29Å; S104-F106 PolarHBondContact O-N 3.4Å; F106-L113 VanDerWaalsContact O-O 3.06Å; F106-S114 WeakPolarHBondContact O-CA 3.39Å; F106-I116 HydrophobicContact CB-CD1 4.18Å; F106-I116 HydrophobicContact CB-CG1 3.85Å; F106-I116 HydrophobicContact CD1-CD1 4.38Å; F106-I116 HydrophobicContact CD1-CG1 3.68Å; F106-I116 HydrophobicContact CD2-CD1 4.18Å; F106-I116 HydrophobicContact CD2-CG1 4.36Å; F106-I116 HydrophobicContact CE1-CG1 4.31Å; F106-I116 HydrophobicContact CG-CD1 3.99Å; F106-I116 HydrophobicContact CG-CG1 3.7Å
107	L	86.2	Confident	86.7	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.079	31%	0.309	C	S	.	.	S	Bend	trans	-115	154.8	179	-62.2	173	0	0	0	110.4	A19 I21 I56 V103 S104 E105 Q110 S111 S114	A19-L107 HydrophobicContact CB-CD1 3.38Å; A19-L107 HydrophobicContact CB-CD2 4.07Å; A19-L107 HydrophobicContact CB-CG 4.4Å; I21-L107 HydrophobicContact CG1-CD2 4Å; I56-L107 HydrophobicContact CD1-CD1 4.43Å; I56-L107 HydrophobicContact CG1-CD1 3.86Å; I56-L107 HydrophobicContact CG2-CD1 4.29Å; V103-L107 HydrophobicContact CG1-CD1 4.33Å; S104-L107 PolarHBondContact O-N 2.98Å; E105-L107 VanDerWaalsContact C-N 3.31Å; L107-Q110 PolarHBondContact O-N 3.36Å; L107-Q110 PolarHBondContact O-OE1 3.42Å; L107-Q110 VanDerWaalsContact O-OE1 3.1Å; L107-S111 PolarHBondContact O-N 2.95Å; L107-S114 WeakPolarHBondContact CD2-OG 3.26Å
108	P	80.4	Confident	86.8	Confident	74 Å²	74	54.2 Å²	54.2	48%	0.481	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	139.4	168.6	-23.7	34.3	0	0	0	111.9	S111 S114	P108-S111 WeakPolarHBondContact CA-O 3.23Å; P108-S114 WeakPolarHBondContact CD-OG 3.33Å
109	P	78.8	Confident	86.8	Confident	122 Å²	122	54 Å²	54	79%	0.792	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.1	-1.8	10.2	36	-37.3	0	0	0	115.6
110	Q	79.3	Confident	86.7	Confident	123 Å²	123	52.8 Å²	52.8	58%	0.575	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-35.9	-177.5	-63.1	85.7	-5	0	0	112.5	S104 L107	S104-Q110 PolarHBondContact O-OE1 2.96Å; S104-Q110 VanDerWaalsContact O-OE1 3.13Å; L107-Q110 PolarHBondContact O-N 3.36Å; L107-Q110 PolarHBondContact O-OE1 3.42Å; L107-Q110 VanDerWaalsContact O-OE1 3.1Å
111	S	82.5	Confident	86.5	Confident	31 Å²	31	52 Å²	52	22%	0.217	27%	0.269	C	S	.	.	S	Bend	trans	-112.9	148.6	171.7	-178	0	0	0	0	110.5	L107 P108 L113	L107-S111 PolarHBondContact O-N 2.95Å; P108-S111 WeakPolarHBondContact CA-O 3.23Å; S111-L113 WeakPolarHBondContact CB-O 3.4Å; S111-L113 PolarHBondContact O-N 3.31Å; S111-L113 PolarHBondContact OG-O 3.27Å
112	E	79.1	Confident	85.9	Confident	174 Å²	174	54.9 Å²	54.9	81%	0.813	28%	0.283	S	S	*	.	S	Bend	trans	-65.6	-31.5	176.6	-67.5	-173.7	171.3	0	0	112
113	L	83.2	Confident	85.1	Confident	94 Å²	94	51.7 Å²	51.7	49%	0.492	27%	0.274	S	S	.	.	S	Bend	trans	-137.1	151.1	-176.7	-63.9	175.1	0	0	0	110.5	F106 S111 E115	F106-L113 VanDerWaalsContact O-O 3.06Å; S111-L113 WeakPolarHBondContact CB-O 3.4Å; S111-L113 PolarHBondContact O-N 3.31Å; S111-L113 PolarHBondContact OG-O 3.27Å; L113-E115 HydrophobicContact CB-CG 3.8Å; L113-E115 WeakPolarHBondContact CD1-OE2 3.43Å; L113-E115 PolarHBondContact O-N 3.24Å
114	S	87.9	Confident	84.4	Confident	46 Å²	46	51.9 Å²	51.9	32%	0.322	28%	0.275	S	S	.	.	S	Bend	trans	-80.1	65.9	176.8	-58.5	0	0	0	0	111.5	H22 F106 L107 P108	H22-S114 PolarHBondContact N-O 3.22Å; F106-S114 WeakPolarHBondContact O-CA 3.39Å; L107-S114 WeakPolarHBondContact CD2-OG 3.26Å; P108-S114 WeakPolarHBondContact CD-OG 3.33Å
115	E	89.1	Confident	83.6	Confident	23 Å²	23	54.2 Å²	54.2	11%	0.107	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.1	-171.6	62.2	-172.3	-152.2	0	0	113.7	H22 Y24 L113 Y117	H22-E115 CarbonylContact O-C 3.49Å; H22-E115 VanDerWaalsContact O-CA 3.27Å; H22-E115 WeakPolarHBondContact O-CA 3.46Å; Y24-E115 HydrophobicContact CD2-CB 4.15Å; Y24-E115 HydrophobicContact CE2-CB 4.01Å; L113-E115 HydrophobicContact CB-CG 3.8Å; L113-E115 WeakPolarHBondContact CD1-OE2 3.43Å; L113-E115 PolarHBondContact O-N 3.24Å; E115-Y117 HydrophobicContact CG-CE2 3.89Å; E115-Y117 WeakPolarHBondContact OE1-CE2 3.39Å; E115-Y117 PolarHBondContact OE1-OH 3.41Å; E115-Y117 PolarHBondContact OE2-OH 3.43Å
116	I	91.2	Very high	82.2	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.3	174.9	-64.8	178.7	0	0	0	108.5	I21 H22 I23 Y24 L60 F63 F82 F106	I21-I116 HydrophobicContact CG2-CB 4.34Å; I21-I116 HydrophobicContact CG2-CD1 3.73Å; I21-I116 HydrophobicContact CG2-CG1 3.73Å; H22-I116 PolarHBondContact O-N 3.37Å; I23-I116 WeakPolarHBondContact CA-O 3.48Å; I23-I116 HydrophobicContact CD1-CB 3.86Å; I23-I116 HydrophobicContact CD1-CG2 4.42Å; Y24-I116 PolarHBondContact N-O 3.38Å; L60-I116 HydrophobicContact CD2-CD1 4.05Å; F63-I116 HydrophobicContact CD1-CD1 4.17Å; F63-I116 HydrophobicContact CE1-CD1 3.71Å; F63-I116 HydrophobicContact CZ-CD1 4.45Å; F82-I116 HydrophobicContact CD1-CG2 3.73Å; F82-I116 HydrophobicContact CE1-CG2 4.19Å; F106-I116 HydrophobicContact CB-CD1 4.18Å; F106-I116 HydrophobicContact CB-CG1 3.85Å; F106-I116 HydrophobicContact CD1-CD1 4.38Å; F106-I116 HydrophobicContact CD1-CG1 3.68Å; F106-I116 HydrophobicContact CD2-CD1 4.18Å; F106-I116 HydrophobicContact CD2-CG1 4.36Å; F106-I116 HydrophobicContact CE1-CG1 4.31Å; F106-I116 HydrophobicContact CG-CD1 3.99Å; F106-I116 HydrophobicContact CG-CG1 3.7Å
117	Y	91.5	Very high	80.6	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.1	179.1	-63.4	-87.8	0	0	0	111.2	Y24 I26 I43 T46 F82 C83 L90 E115	Y24-Y117 HydrophobicContact CD2-CE1 4.08Å; Y24-Y117 HydrophobicContact CG-CD1 4.41Å; Y24-Y117 HydrophobicContact CG-CE1 4.1Å; Y24-Y117 CarbonylContact O-C 3.58Å; Y24-Y117 WeakPolarHBondContact O-CA 3.39Å; I26-Y117 HydrophobicContact CG1-CD1 4.23Å; I43-Y117 HydrophobicContact CG1-CE1 4.16Å; I43-Y117 HydrophobicContact CG2-CE1 3.87Å; I43-Y117 WeakPolarHBondContact CG2-OH 3.38Å; T46-Y117 HydrophobicContact CG2-CD1 4.39Å; T46-Y117 HydrophobicContact CG2-CE1 4.32Å; F82-Y117 CarbonylContact C-O 3.6Å; C83-Y117 PolarHBondContact N-O 3Å; C83-Y117 PolarHBondContact O-N 2.81Å; L90-Y117 HydrophobicContact CD1-CD1 4.17Å; L90-Y117 HydrophobicContact CD1-CG 4.19Å; L90-Y117 HydrophobicContact CD2-CD2 3.64Å; L90-Y117 HydrophobicContact CD2-CE2 3.91Å; L90-Y117 HydrophobicContact CD2-CG 4.06Å; E115-Y117 HydrophobicContact CG-CE2 3.89Å; E115-Y117 WeakPolarHBondContact OE1-CE2 3.39Å; E115-Y117 PolarHBondContact OE1-OH 3.41Å; E115-Y117 PolarHBondContact OE2-OH 3.43Å
118	V	91.9	Very high	79.1	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.5	-177.9	175.4	0	0	0	0	109	I23 Y24 V25 I26 L76 Y80 I81 F82	I23-V118 HydrophobicContact CG2-CG2 3.98Å; Y24-V118 PolarHBondContact O-N 2.86Å; V25-V118 CarbonylContact C-O 3.5Å; V25-V118 VanDerWaalsContact CA-O 3.31Å; V25-V118 WeakPolarHBondContact CA-O 3.47Å; I26-V118 PolarHBondContact N-O 2.91Å; L76-V118 HydrophobicContact CD1-CG1 4.12Å; Y80-V118 VanDerWaalsContact CB-CG1 3.42Å; Y80-V118 HydrophobicContact CD2-CB 4.42Å; Y80-V118 HydrophobicContact CD2-CG1 3.36Å; Y80-V118 HydrophobicContact CD2-CG2 4.16Å; Y80-V118 HydrophobicContact CE2-CG1 4.32Å; Y80-V118 HydrophobicContact CE2-CG2 4.44Å; Y80-V118 HydrophobicContact CG-CG1 3.61Å; I81-V118 WeakPolarHBondContact O-CA 3.28Å; F82-V118 HydrophobicContact CD1-CG2 3.96Å; F82-V118 HydrophobicContact CE1-CG2 4.19Å
119	I	90.4	Very high	77.8	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.6	173.8	-174.6	164.8	0	0	0	110.1	I26 W31 Y80 I81 R121 I124	I26-I119 HydrophobicContact CB-CB 4.36Å; W31-I119 HydrophobicContact CB-CD1 3.46Å; W31-I119 VanDerWaalsContact CB-CD1 3.46Å; W31-I119 HydrophobicContact CD2-CD1 3.39Å; W31-I119 HydrophobicContact CE3-CD1 3.62Å; W31-I119 HydrophobicContact CG-CD1 3.32Å; W31-I119 HydrophobicContact CZ3-CD1 4.47Å; Y80-I119 CarbonylContact C-O 3.55Å; Y80-I119 VanDerWaalsContact CA-O 3.31Å; Y80-I119 WeakPolarHBondContact CA-O 3.34Å; I81-I119 HydrophobicContact CB-CG2 4.19Å; I81-I119 PolarHBondContact N-O 2.97Å; I81-I119 PolarHBondContact O-N 3.32Å; I119-R121 PolarHBondContact O-N 3.46Å; I119-I124 HydrophobicContact CD1-CD1 4.02Å; I119-I124 HydrophobicContact CD1-CG1 4.04Å; I119-I124 HydrophobicContact CG1-CD1 4.08Å; I119-I124 HydrophobicContact CG1-CG1 4.29Å; I119-I124 HydrophobicContact CG2-CD1 3.71Å
120	D	89	Confident	76.5	Confident	49 Å²	49	62.3 Å²	62.3	26%	0.262	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	126.1	174.1	-173.5	-13.8	0	0	0	110.5	P77 Q122 A123	P77-D120 HydrophobicContact CB-CB 3.85Å; P77-D120 HydrophobicContact CG-CB 3.82Å; D120-Q122 PolarHBondContact OD1-N 3.42Å; D120-A123 HydrophobicContact CB-CB 4.13Å
121	R	84.3	Confident	75.1	Confident	111 Å²	111	59.7 Å²	59.7	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-69.5	-37.2	179.3	-179.7	153	173.4	-127.3	5.2	112.3	D79 I81 I119 A123 I124 D125	D79-R121 HydrophobicContact CB-CB 4.14Å; D79-R121 WeakPolarHBondContact O-CB 3.49Å; D79-R121 PolarHBondContact O-N 2.91Å; D79-R121 IonicContact OD1-NH1 3.46Å; D79-R121 VanDerWaalsContact OD2-CD 3.28Å; D79-R121 WeakPolarHBondContact OD2-CD 3.38Å; D79-R121 IonicContact OD2-CZ 3.07Å; D79-R121 IonicContact OD2-NE 3.14Å; D79-R121 IonicContact OD2-NH1 2.73Å; D79-R121 PolarHBondContact OD2-NH1 3.28Å; I81-R121 HydrophobicContact CD1-CB 4.21Å; I81-R121 HydrophobicContact CD1-CG 4.07Å; I81-R121 HydrophobicContact CG1-CB 4.06Å; I81-R121 HydrophobicContact CG1-CG 4.34Å; I119-R121 PolarHBondContact O-N 3.46Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 2.9Å; R121-I124 PolarHBondContact O-N 3.46Å; R121-D125 PolarHBondContact O-N 2.97Å
122	Q	78.1	Confident	73.6	Confident	104 Å²	104	65 Å²	65	49%	0.486	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-40.8	-178.1	-61.9	-174.9	24.2	0	0	110.9	D120 I124 D125 D126	D120-Q122 PolarHBondContact OD1-N 3.42Å; Q122-I124 PolarHBondContact O-N 3.3Å; Q122-D125 PolarHBondContact O-N 3.28Å; Q122-D125 VanDerWaalsContact O-N 3.09Å; Q122-D126 PolarHBondContact O-N 3.11Å
123	A	72.7	Confident	72.1	Confident	24 Å²	24	61.9 Å²	61.9	20%	0.198	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-26.7	178.9	0	0	0	0	0	113.5	P28 D120 R121 S127	P28-A123 HydrophobicContact CB-CB 3.55Å; P28-A123 HydrophobicContact CG-CB 4.02Å; D120-A123 HydrophobicContact CB-CB 4.13Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 2.9Å; A123-S127 PolarHBondContact O-OG 2.88Å
124	I	73	Confident	70.4	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-74.5	-41.1	173.5	-62.2	167.9	0	0	0	110.7	I81 I119 R121 Q122 S127 Q128	I81-I124 HydrophobicContact CD1-CD1 4Å; I119-I124 HydrophobicContact CD1-CD1 4.02Å; I119-I124 HydrophobicContact CD1-CG1 4.04Å; I119-I124 HydrophobicContact CG1-CD1 4.08Å; I119-I124 HydrophobicContact CG1-CG1 4.29Å; I119-I124 HydrophobicContact CG2-CD1 3.71Å; R121-I124 PolarHBondContact O-N 3.46Å; Q122-I124 PolarHBondContact O-N 3.3Å; I124-S127 PolarHBondContact O-OG 3.5Å; I124-Q128 VanDerWaalsContact O-CG 3.25Å; I124-Q128 WeakPolarHBondContact O-CG 3.33Å; I124-Q128 PolarHBondContact O-N 2.9Å
125	D	69.7	Low	68.6	Low	76 Å²	76	65 Å²	65	41%	0.406	32%	0.324	S	S	.	.	H	α-helix	trans	-76.6	-40.7	-176.5	-73.8	-18.8	0	0	0	112.3	R121 Q122 S127 Q128 I129	R121-D125 PolarHBondContact O-N 2.97Å; Q122-D125 PolarHBondContact O-N 3.28Å; Q122-D125 VanDerWaalsContact O-N 3.09Å; D125-S127 VanDerWaalsContact C-N 3.25Å; D125-S127 PolarHBondContact O-N 3.45Å; D125-Q128 WeakPolarHBondContact O-CA 3.37Å; D125-Q128 WeakPolarHBondContact O-CB 3.35Å; D125-Q128 PolarHBondContact O-N 3.38Å; D125-I129 PolarHBondContact O-N 3.28Å
126	D	59.1	Low	66.8	Low	101 Å²	101	70.3 Å²	70.3	54%	0.54	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-39.2	178.1	-74.1	-16.6	0	0	0	112	Q122 Q128 I129 H130	Q122-D126 PolarHBondContact O-N 3.11Å; D126-Q128 VanDerWaalsContact C-N 3.3Å; D126-Q128 PolarHBondContact O-N 2.85Å; D126-I129 PolarHBondContact O-N 2.91Å; D126-H130 PolarHBondContact O-N 3.48Å; D126-H130 VanDerWaalsContact O-N 3.12Å
127	S	55.9	Low	64.6	Low	34 Å²	34	76 Å²	76	24%	0.238	38%	0.378	C	S	.	.	H	α-helix	trans	-72.9	-22.4	178.3	56.8	0	0	0	0	113	N33 A123 I124 D125 Q131	N33-S127 WeakPolarHBondContact ND2-CB 3.42Å; N33-S127 PolarHBondContact ND2-OG 3.26Å; A123-S127 PolarHBondContact O-OG 2.88Å; I124-S127 PolarHBondContact O-OG 3.5Å; D125-S127 VanDerWaalsContact C-N 3.25Å; D125-S127 PolarHBondContact O-N 3.45Å; S127-Q131 WeakPolarHBondContact O-CG 3.43Å; S127-Q131 PolarHBondContact O-N 3.31Å
128	Q	54.9	Low	62.4	Low	86 Å²	86	78.4 Å²	78.4	40%	0.402	40%	0.399	S	S	.	.	H	α-helix	trans	-75.2	-35.4	168	-65.7	-95.3	28.1	0	0	112.2	I124 D125 D126 Q131 K132	I124-Q128 VanDerWaalsContact O-CG 3.25Å; I124-Q128 WeakPolarHBondContact O-CG 3.33Å; I124-Q128 PolarHBondContact O-N 2.9Å; D125-Q128 WeakPolarHBondContact O-CA 3.37Å; D125-Q128 WeakPolarHBondContact O-CB 3.35Å; D125-Q128 PolarHBondContact O-N 3.38Å; D126-Q128 VanDerWaalsContact C-N 3.3Å; D126-Q128 PolarHBondContact O-N 2.85Å; Q128-Q131 PolarHBondContact O-N 2.93Å; Q128-K132 PolarHBondContact O-N 3.38Å
129	I	52.3	Low	60.3	Low	90 Å²	90	81.1 Å²	81.1	46%	0.462	42%	0.421	S	S	.	.	H	α-helix	trans	-64.1	-47.9	176.8	-64.7	173.6	0	0	0	110.1	D125 D126 Q131 K132 E133	D125-I129 PolarHBondContact O-N 3.28Å; D126-I129 PolarHBondContact O-N 2.91Å; I129-Q131 VanDerWaalsContact C-N 3.26Å; I129-Q131 PolarHBondContact O-N 3.34Å; I129-K132 PolarHBondContact O-N 2.92Å; I129-E133 PolarHBondContact O-N 3.49Å
130	H	52	Low	58.3	Low	133 Å²	133	84.5 Å²	84.5	62%	0.616	45%	0.449	S	S	*	.	H	α-helix	trans	-58	-37.8	175.4	-101.3	39.6	0	0	0	112.2	D126 V134	D126-H130 PolarHBondContact O-N 3.48Å; D126-H130 VanDerWaalsContact O-N 3.12Å; H130-V134 VanDerWaalsContact O-CG2 3.22Å; H130-V134 WeakPolarHBondContact O-CG2 3.22Å; H130-V134 PolarHBondContact O-N 3.3Å; H130-V134 VanDerWaalsContact O-N 3.1Å
131	Q	49.3	Very low	56.2	Low	69 Å²	69	89.6 Å²	89.6	32%	0.322	47%	0.471	S	S	.	.	H	α-helix	trans	-69	-37.9	174.6	-73.9	-174.1	-1.5	0	0	112.9	D34 S127 Q128 I129 V134 N135	D34-Q131 PolarHBondContact OD1-NE2 3.06Å; S127-Q131 WeakPolarHBondContact O-CG 3.43Å; S127-Q131 PolarHBondContact O-N 3.31Å; Q128-Q131 PolarHBondContact O-N 2.93Å; I129-Q131 VanDerWaalsContact C-N 3.26Å; I129-Q131 PolarHBondContact O-N 3.34Å; Q131-V134 PolarHBondContact O-N 2.9Å; Q131-N135 WeakPolarHBondContact O-CB 3.2Å; Q131-N135 PolarHBondContact O-N 2.9Å; Q131-N135 PolarHBondContact O-ND2 3.33Å
132	K	50.6	Low	54.1	Low	141 Å²	141	92 Å²	92	61%	0.613	49%	0.487	S	S	*	.	H	α-helix	trans	-67.4	-37.4	176.1	-80.7	-177	-179.7	175.1	0	112.8	Q128 I129 N135 Q136	Q128-K132 PolarHBondContact O-N 3.38Å; I129-K132 PolarHBondContact O-N 2.92Å; K132-N135 PolarHBondContact O-N 2.97Å; K132-Q136 WeakPolarHBondContact O-CB 3.34Å; K132-Q136 WeakPolarHBondContact O-CG 3.4Å; K132-Q136 PolarHBondContact O-N 3.44Å
133	E	49.2	Very low	52.3	Low	110 Å²	110	95.3 Å²	95.3	51%	0.514	50%	0.502	S	S	.	.	H	α-helix	trans	-66.6	-43.3	174.6	-77	-174.5	150.2	0	0	111.4	I129 N135 Q136 L137	I129-E133 PolarHBondContact O-N 3.49Å; E133-N135 VanDerWaalsContact C-N 3.34Å; E133-N135 PolarHBondContact O-N 3.34Å; E133-Q136 PolarHBondContact O-N 2.97Å; E133-L137 PolarHBondContact O-N 3.27Å
134	V	47.5	Very low	50.3	Low	98 Å²	98	102.8 Å²	102.8	59%	0.594	53%	0.532	S	S	*	.	H	α-helix	trans	-62.2	-42.6	175.3	172.3	0	0	0	0	111.1	H130 Q131 L137 A138	H130-V134 VanDerWaalsContact O-CG2 3.22Å; H130-V134 WeakPolarHBondContact O-CG2 3.22Å; H130-V134 PolarHBondContact O-N 3.3Å; H130-V134 VanDerWaalsContact O-N 3.1Å; Q131-V134 PolarHBondContact O-N 2.9Å; V134-L137 PolarHBondContact O-N 3.06Å; V134-A138 WeakPolarHBondContact O-CB 3.35Å; V134-A138 PolarHBondContact O-N 3.43Å
135	N	49.9	Very low	48.4	Very low	107 Å²	107	108.2 Å²	108.2	57%	0.572	57%	0.566	S	S	*	*	H	α-helix	trans	-69.2	-34.7	177.8	-72.9	-26.7	0	0	0	112.7	Q131 K132 E133 A138 A139	Q131-N135 WeakPolarHBondContact O-CB 3.2Å; Q131-N135 PolarHBondContact O-N 2.9Å; Q131-N135 PolarHBondContact O-ND2 3.33Å; K132-N135 PolarHBondContact O-N 2.97Å; E133-N135 VanDerWaalsContact C-N 3.34Å; E133-N135 PolarHBondContact O-N 3.34Å; N135-A138 PolarHBondContact O-N 3.24Å; N135-A139 WeakPolarHBondContact O-CB 3.42Å; N135-A139 PolarHBondContact O-N 3.26Å
136	Q	49.5	Very low	46.6	Very low	135 Å²	135	112.4 Å²	112.4	63%	0.631	59%	0.588	S	S	*	*	H	α-helix	trans	-70.9	-37.4	173.6	-81.8	-176.3	88.6	0	0	112.2	K132 E133 A138 A139 A140	K132-Q136 WeakPolarHBondContact O-CB 3.34Å; K132-Q136 WeakPolarHBondContact O-CG 3.4Å; K132-Q136 PolarHBondContact O-N 3.44Å; E133-Q136 PolarHBondContact O-N 2.97Å; Q136-A138 VanDerWaalsContact C-N 3.29Å; Q136-A138 PolarHBondContact O-N 3.4Å; Q136-A139 PolarHBondContact O-N 2.96Å; Q136-A140 WeakPolarHBondContact O-CB 2.95Å; Q136-A140 PolarHBondContact O-N 3.04Å
137	L	45.7	Very low	45.3	Very low	121 Å²	121	115.1 Å²	115.1	63%	0.634	60%	0.602	S	S	*	*	H	α-helix	trans	-61.6	-41.5	172.5	-122.4	84.8	0	0	0	110.9	E133 V134 A140 Q141	E133-L137 PolarHBondContact O-N 3.27Å; V134-L137 PolarHBondContact O-N 3.06Å; L137-A140 PolarHBondContact O-N 2.9Å; L137-Q141 WeakPolarHBondContact O-CG 2.99Å; L137-Q141 PolarHBondContact O-N 3.07Å
138	A	45.1	Very low	44.1	Very low	52 Å²	52	122.2 Å²	122.2	43%	0.43	63%	0.634	S	S	.	*	H	α-helix	trans	-65.2	-39.5	175.9	0	0	0	0	0	112.3	V134 N135 Q136	V134-A138 WeakPolarHBondContact O-CB 3.35Å; V134-A138 PolarHBondContact O-N 3.43Å; N135-A138 PolarHBondContact O-N 3.24Å; Q136-A138 VanDerWaalsContact C-N 3.29Å; Q136-A138 PolarHBondContact O-N 3.4Å
139	A	47.5	Very low	43.1	Very low	56 Å²	56	124 Å²	124	46%	0.463	65%	0.652	S	S	.	*	H	α-helix	trans	-71.6	-35.9	177.8	0	0	0	0	0	113	N135 Q136 Q141 H142	N135-A139 WeakPolarHBondContact O-CB 3.42Å; N135-A139 PolarHBondContact O-N 3.26Å; Q136-A139 PolarHBondContact O-N 2.96Å; A139-Q141 VanDerWaalsContact C-N 3.32Å; A139-Q141 PolarHBondContact O-N 3.24Å; A139-H142 PolarHBondContact O-N 2.69Å; A139-H142 VanDerWaalsContact O-N 3.15Å
140	A	48.2	Very low	42.1	Very low	72 Å²	72	127.5 Å²	127.5	60%	0.595	67%	0.671	S	S	*	*	H	α-helix	trans	-66	-34.5	177.1	0	0	0	0	0	112	Q136 L137 H142 H143	Q136-A140 WeakPolarHBondContact O-CB 2.95Å; Q136-A140 PolarHBondContact O-N 3.04Å; L137-A140 PolarHBondContact O-N 2.9Å; A140-H142 PolarHBondContact O-N 2.88Å; A140-H143 PolarHBondContact O-N 3.42Å
141	Q	44.8	Very low	41	Very low	156 Å²	156	126.6 Å²	126.6	73%	0.729	68%	0.677	S	S	*	*	H	α-helix	trans	-65.8	-19.9	174.4	-73.2	-178.1	-0.4	0	0	113.3	L137 A139	L137-Q141 WeakPolarHBondContact O-CG 2.99Å; L137-Q141 PolarHBondContact O-N 3.07Å; A139-Q141 VanDerWaalsContact C-N 3.32Å; A139-Q141 PolarHBondContact O-N 3.24Å
142	H	41.6	Very low	40	Very low	163 Å²	163	129.8 Å²	129.8	76%	0.755	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-6	-177.7	-110.3	-89.6	0	0	0	115.2	A139 A140	A139-H142 PolarHBondContact O-N 2.69Å; A139-H142 VanDerWaalsContact O-N 3.15Å; A140-H142 PolarHBondContact O-N 2.88Å
143	H	39.1	Very low	39.2	Very low	173 Å²	173	130 Å²	130	80%	0.801	71%	0.714	S	S	*	*	S	Bend	trans	-101	9.8	-176.1	-88.9	78.6	0	0	0	115.8	A140	A140-H143 PolarHBondContact O-N 3.42Å
144	Q	31.4	Very low	38.2	Very low	180 Å²	180	128 Å²	128	84%	0.841	72%	0.723	S	S	*	*			trans	-109.7	64.9	179.3	-155.6	165.7	45.5	0	0	112.4
145	V	32.4	Very low	37.4	Very low	120 Å²	120	132.3 Å²	132.3	73%	0.727	74%	0.737	S	S	*	*			trans	-128.8	89.1	163.1	-171.9	0	0	0	0	108.2	L147	V145-L147 PolarHBondContact O-N 3.5Å
146	N	32.8	Very low	36.4	Very low	164 Å²	164	134 Å²	134	88%	0.877	75%	0.751	S	S	*	*			trans	-79.2	106.4	176.4	-155.2	6.5	0	0	0	108.3	M148	N146-M148 PolarHBondContact O-N 3.49Å; N146-M148 VanDerWaalsContact O-N 3.15Å
147	L	31.1	Very low	35.3	Very low	158 Å²	158	138.5 Å²	138.5	83%	0.827	76%	0.762	S	S	*	*			trans	-70.7	100.6	-180	-74.6	150.8	0	0	0	109.8	V145	V145-L147 PolarHBondContact O-N 3.5Å
148	M	30.8	Very low	34.4	Very low	183 Å²	183	137.9 Å²	137.9	90%	0.901	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-84.4	125.1	172.1	-155.7	151.8	84.7	0	0	109.9	N146	N146-M148 PolarHBondContact O-N 3.49Å; N146-M148 VanDerWaalsContact O-N 3.15Å
149	P	33.7	Very low	33.6	Very low	122 Å²	122	140 Å²	140	79%	0.792	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-75.7	132.6	-172.4	-13.8	29.5	0	0	0	112.9
150	L	31.7	Very low	32.5	Very low	164 Å²	164	142.8 Å²	142.8	86%	0.859	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-79.4	133.1	178.6	-166.5	72.2	0	0	0	111.2
151	P	30	Very low	31.8	Very low	115 Å²	115	145.6 Å²	145.6	75%	0.747	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.9	137.5	-177.8	26.4	-30.6	0	0	0	113.4
152	T	26.5	Very low	30.9	Very low	136 Å²	136	144.1 Å²	144.1	83%	0.834	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-85.5	121.5	-179.2	-63.1	0	0	0	0	110.9
153	V	34	Very low	30.1	Very low	145 Å²	145	143.1 Å²	143.1	88%	0.879	82%	0.815	S	S	*	*			trans	-143.2	120.8	163	-179.3	0	0	0	0	110.9
154	G	29.9	Very low	29.7	Very low	68 Å²	68	144.7 Å²	144.7	70%	0.701	82%	0.819	S	S	*	*			trans	96.4	82.6	135.5	0	0	0	0	0	118.6
155	Q	28.8	Very low	29.5	Very low	188 Å²	188	141.5 Å²	141.5	88%	0.879	81%	0.814	S	S	*	*			trans	-65.7	129.6	157.8	-64.8	171.4	31.9	0	0	110.2
156	T	29.8	Very low	29.3	Very low	142 Å²	142	143.7 Å²	143.7	87%	0.871	82%	0.822	S	S	*	*			trans	-134.2	135.8	154.3	50.8	0	0	0	0	109.8
157	R	26.8	Very low	29.1	Very low	230 Å²	230	143.3 Å²	143.3	87%	0.868	82%	0.82	S	S	*	*			trans	-83.9	146.4	-163.2	-76.7	174.7	162.3	-146.5	-2	112.2
158	S	25.7	Very low	29.3	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	82%	0.821	S	S	*	*			trans	-7.3	130.6	148.9	58.6	0	0	0	0	118.3
159	A	28.9	Very low	29.1	Very low	97 Å²	97	142.6 Å²	142.6	80%	0.802	82%	0.82	S	S	*	*			trans	-149.6	107.3	144.2	0	0	0	0	0	109.4
160	S	24.4	Very low	29	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-78.9	130.7	172.1	-56.3	0	0	0	0	109.9
161	P	33.8	Very low	28.6	Very low	130 Å²	130	145.8 Å²	145.8	84%	0.844	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-89.9	122.9	171.7	-3.3	22.4	0	0	0	111.4
162	T	25.2	Very low	28.5	Very low	126 Å²	126	148.1 Å²	148.1	77%	0.773	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-83.8	122.9	176	-64.2	0	0	0	0	111.5
163	I	24.6	Very low	28.6	Very low	141 Å²	141	146.1 Å²	146.1	72%	0.723	82%	0.818	S	S	*	*			trans	31.4	117	141.6	-51.3	179	0	0	0	118.7
164	K	30.6	Very low	28.2	Very low	207 Å²	207	146.8 Å²	146.8	90%	0.9	82%	0.817	S	S	*	*			trans	-144	115.3	141	-74.6	-166.2	178.9	-179.7	0	110.8
165	P	28.5	Very low	28.2	Very low	113 Å²	113	151.4 Å²	151.4	73%	0.734	82%	0.82	S	S	*	*			trans	-91.4	128.7	166.3	33.1	-24.8	0	0	0	108.8
166	N	28.7	Very low	28	Very low	165 Å²	165	149.6 Å²	149.6	88%	0.882	82%	0.816	S	S	*	*			trans	-124.6	118.5	174.2	-123.6	7.6	0	0	0	109
167	D	27.4	Very low	28	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	81%	0.807	S	S	*	*			trans	-62	133	175.2	-73.5	-56.8	0	0	0	111.5
168	S	34.6	Very low	28	Very low	121 Å²	121	144.5 Å²	144.5	85%	0.846	80%	0.796	S	S	*	*			trans	-151.8	97	156.9	-77	0	0	0	0	109.6	K170	S168-K170 PolarHBondContact O-N 2.91Å
169	K	27.5	Very low	28	Very low	205 Å²	205	148.5 Å²	148.5	89%	0.891	80%	0.8	S	S	*	*			trans	-59.1	121.6	165.4	-74	170.8	174.8	171.5	0	109.7
170	K	31.7	Very low	28	Very low	209 Å²	209	151.9 Å²	151.9	91%	0.909	80%	0.799	S	S	*	*			trans	-141.1	98.8	152.9	-118.2	179.5	-179.3	179.7	0	108.6	S168	S168-K170 PolarHBondContact O-N 2.91Å
171	N	24.1	Very low	28	Very low	144 Å²	144	151.8 Å²	151.8	77%	0.77	80%	0.799	S	S	*	*			trans	-70	131.9	157.3	-74.7	-69.8	0	0	0	107.5
172	L	27.3	Very low	27.8	Very low	164 Å²	164	151.8 Å²	151.8	86%	0.859	80%	0.799	S	S	*	*				173.2	143.1	126	-114.2	74.4	0	0	0	111.8
173	S	28.1	Very low	27.8	Very low	94 Å²	94	151.4 Å²	151.4	66%	0.657	80%	0.801	S	S	*	*			trans	74	104.9	155.5	74.9	0	0	0	0	120.1
174	D	26.4	Very low	27.9	Very low	158 Å²	158	152.5 Å²	152.5	85%	0.845	81%	0.808	S	S	*	*			trans	-46.5	126.6	150.9	-58.3	-63.5	0	0	0	112.5
175	H	28.9	Very low	27.8	Very low	165 Å²	165	148 Å²	148	76%	0.764	80%	0.8	S	S	*	*			trans	-127.7	95.5	152.4	-92.7	-69.8	0	0	0	107.7	E177	H175-E177 PolarHBondContact O-N 2.93Å
176	N	25.3	Very low	27.7	Very low	150 Å²	150	148.8 Å²	148.8	80%	0.802	80%	0.803	S	S	*	*			trans	-87.9	84.2	172.9	-167.5	16	0	0	0	107.9	N178	N176-N178 PolarHBondContact O-N 3.36Å
177	E	30.7	Very low	27.7	Very low	145 Å²	145	146.7 Å²	146.7	68%	0.678	80%	0.798	S	S	*	*			trans	-85	98.2	170.9	-76	-68.2	138.2	0	0	108.7	H175 F179	H175-E177 PolarHBondContact O-N 2.93Å; E177-F179 PolarHBondContact O-N 3.39Å
178	N	25.2	Very low	27.7	Very low	120 Å²	120	148.9 Å²	148.9	64%	0.642	80%	0.803	S	S	*	*			trans	-67	99.1	174.8	-177.6	27.1	0	0	0	109.9	N176 Q180	N176-N178 PolarHBondContact O-N 3.36Å; N178-Q180 PolarHBondContact O-N 3.22Å
179	F	27.1	Very low	27.3	Very low	193 Å²	193	146.4 Å²	146.4	85%	0.846	80%	0.797	S	S	*	*			trans	-72.3	96.4	172	-84.9	-86	0	0	0	110.4	E177 S181	E177-F179 PolarHBondContact O-N 3.39Å; F179-S181 PolarHBondContact O-N 2.91Å
180	Q	28	Very low	27.3	Very low	168 Å²	168	147.7 Å²	147.7	79%	0.785	80%	0.796	S	S	*	*			trans	-74.4	106.5	176.2	-140	160	-20.5	0	0	109.6	N178	N178-Q180 PolarHBondContact O-N 3.22Å
181	S	25	Very low	27.1	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.1	136.1	171	-59.9	0	0	0	0	110.6	F179	F179-S181 PolarHBondContact O-N 2.91Å
182	P	29.1	Very low	27.3	Very low	130 Å²	130	143.9 Å²	143.9	84%	0.844	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.4	127.1	-168.4	-4	22.5	0	0	0	112
183	S	26.2	Very low	27.3	Very low	118 Å²	118	141.7 Å²	141.7	83%	0.825	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-76.7	119.2	167.9	51.4	0	0	0	0	110.6
184	L	26	Very low	27.3	Very low	165 Å²	165	142.1 Å²	142.1	86%	0.864	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84.4	136.1	171.4	-155.2	76.1	0	0	0	110.1
185	P	28.4	Very low	27.2	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-78.6	132.2	-168.7	-10.2	27.6	0	0	0	113
186	T	25.4	Very low	27.3	Very low	129 Å²	129	142.2 Å²	142.2	79%	0.791	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78.2	127.4	170.9	-40.9	0	0	0	0	109.9	Q188	T186-Q188 PolarHBondContact O-N 3.33Å
187	P	30.3	Very low	27.3	Very low	120 Å²	120	143.1 Å²	143.1	78%	0.779	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-72.8	125.2	-178.8	-11.7	26.8	0	0	0	111.4	G189	P187-G189 PolarHBondContact O-N 2.91Å; P187-G189 VanDerWaalsContact O-N 3.09Å
188	Q	27.6	Very low	27.1	Very low	204 Å²	204	143.6 Å²	143.6	95%	0.953	78%	0.782	S	S	*	*			trans	-72	93.9	169.7	-70.7	179.9	-33	0	0	109.9	T186	T186-Q188 PolarHBondContact O-N 3.33Å
189	G	26	Very low	27.5	Very low	69 Å²	69	142.8 Å²	142.8	71%	0.711	78%	0.784	S	S	*	*			trans	-104.8	86.6	173.9	0	0	0	0	0	112	P187	P187-G189 PolarHBondContact O-N 2.91Å; P187-G189 VanDerWaalsContact O-N 3.09Å
190	R	27.9	Very low	27.6	Very low	231 Å²	231	139.5 Å²	139.5	87%	0.872	78%	0.782	S	S	*	*			trans	12.7	103.1	154.3	-155.8	169.7	-177.2	168.7	-0.7	117.2	T192	R190-T192 PolarHBondContact O-N 3.32Å
191	N	25.9	Very low	27.7	Very low	161 Å²	161	138 Å²	138	86%	0.861	78%	0.783	S	S	*	*			trans	-66.3	114.5	166.5	-66.6	-65.4	0	0	0	110.5
192	T	28.8	Very low	28.1	Very low	112 Å²	112	138.1 Å²	138.1	69%	0.687	78%	0.78	S	S	*	*			trans	-107.5	110.7	161.5	-43.6	0	0	0	0	106.9	R190 V194	R190-T192 PolarHBondContact O-N 3.32Å; T192-V194 PolarHBondContact O-N 2.73Å; T192-V194 VanDerWaalsContact O-N 3.15Å
193	P	28.1	Very low	28	Very low	118 Å²	118	139.6 Å²	139.6	77%	0.766	78%	0.78	S	S	*	*			trans	-75.1	105.3	178.5	14.2	-4.6	0	0	0	108.8	N195	P193-N195 PolarHBondContact O-N 2.69Å; P193-N195 VanDerWaalsContact O-N 3.15Å
194	V	26.8	Very low	28.1	Very low	103 Å²	103	139.1 Å²	139.1	62%	0.624	77%	0.773	S	S	*	*			trans	-75.8	102	168.6	179	0	0	0	0	107.3	T192 Y196	T192-V194 PolarHBondContact O-N 2.73Å; T192-V194 VanDerWaalsContact O-N 3.15Å; V194-Y196 HydrophobicContact CB-CE2 4.39Å; V194-Y196 HydrophobicContact CG1-CD2 4.02Å; V194-Y196 HydrophobicContact CG1-CE2 3.57Å; V194-Y196 PolarHBondContact O-N 2.96Å; V194-Y196 VanDerWaalsContact O-N 3.16Å
195	N	24.8	Very low	28.2	Very low	128 Å²	128	138.7 Å²	138.7	68%	0.684	77%	0.766	S	S	*	*			trans	-68.9	97.1	176.4	-167.2	12	0	0	0	109.4	P193 E197	P193-N195 PolarHBondContact O-N 2.69Å; P193-N195 VanDerWaalsContact O-N 3.15Å; N195-E197 PolarHBondContact O-N 3.42Å
196	Y	31.2	Very low	28.2	Very low	198 Å²	198	141.5 Å²	141.5	78%	0.776	77%	0.769	S	S	*	*			trans	-87	86.2	163.2	-73.1	-74.2	0	0	0	108.3	V194 L198	V194-Y196 HydrophobicContact CB-CE2 4.39Å; V194-Y196 HydrophobicContact CG1-CD2 4.02Å; V194-Y196 HydrophobicContact CG1-CE2 3.57Å; V194-Y196 PolarHBondContact O-N 2.96Å; V194-Y196 VanDerWaalsContact O-N 3.16Å; Y196-L198 PolarHBondContact O-N 3.33Å; Y196-L198 VanDerWaalsContact O-N 3.09Å
197	E	24.9	Very low	28.2	Very low	169 Å²	169	142.7 Å²	142.7	79%	0.79	77%	0.766	S	S	*	*			trans	-70.7	93	169.5	-163	168.8	-163.4	0	0	108.2	N195	N195-E197 PolarHBondContact O-N 3.42Å
198	L	27	Very low	28.1	Very low	155 Å²	155	142 Å²	142	81%	0.812	76%	0.761	S	S	*	*			trans	-90.4	127.8	169.7	-82	165.7	0	0	0	109	Y196	Y196-L198 PolarHBondContact O-N 3.33Å; Y196-L198 VanDerWaalsContact O-N 3.09Å
199	P	32.7	Very low	28.2	Very low	103 Å²	103	140.7 Å²	140.7	67%	0.669	76%	0.755	S	S	*	*			trans	-72.1	151.9	-171.2	27	-32.2	0	0	0	112.9	V201	P199-V201 PolarHBondContact O-N 3.33Å
200	P	30.2	Very low	28.3	Very low	124 Å²	124	145.9 Å²	145.9	81%	0.805	76%	0.761	S	S	*	*			trans	-73.8	114.4	-174.6	28.4	-31.4	0	0	0	110.9	T202	P200-T202 PolarHBondContact O-N 3.47Å
201	V	30	Very low	28.4	Very low	135 Å²	135	143.3 Å²	143.3	82%	0.818	76%	0.759	S	S	*	*			trans	-78.5	113.7	170.1	-173.4	0	0	0	0	108	P199 N203	P199-V201 PolarHBondContact O-N 3.33Å; V201-N203 PolarHBondContact O-N 3.31Å
202	T	32.8	Very low	28.5	Very low	115 Å²	115	143.5 Å²	143.5	71%	0.706	76%	0.755	S	S	*	*			trans	-58.1	121	177.8	49.2	0	0	0	0	111.2	P200 T204	P200-T202 PolarHBondContact O-N 3.47Å; T202-T204 PolarHBondContact O-N 2.96Å
203	N	26.9	Very low	28.4	Very low	161 Å²	161	146 Å²	146	86%	0.861	76%	0.763	S	S	*	*			trans	-67.1	92.1	170.6	-80.6	-35.8	0	0	0	110.2	V201 H205	V201-N203 PolarHBondContact O-N 3.31Å; N203-H205 PolarHBondContact O-N 2.98Å
204	T	29.5	Very low	28.3	Very low	108 Å²	108	147.5 Å²	147.5	66%	0.663	76%	0.76	S	S	*	*			trans	-83.3	90.2	164.5	-35.6	0	0	0	0	107.9	T202 Q206	T202-T204 PolarHBondContact O-N 2.96Å; T204-Q206 PolarHBondContact O-N 2.89Å
205	H	26.4	Very low	28.4	Very low	156 Å²	156	150.6 Å²	150.6	72%	0.722	77%	0.768	S	S	*	*			trans	-66.4	89.9	175.3	-155.1	-59.6	0	0	0	109.2	N203 E207	N203-H205 PolarHBondContact O-N 2.98Å; H205-E207 IonicContact CE1-OE2 2.93Å
206	Q	28.2	Very low	28.5	Very low	172 Å²	172	151.2 Å²	151.2	80%	0.804	77%	0.771	S	S	*	*			trans	-102.4	91.2	165.3	-69.9	-174.1	19.5	0	0	107.8	T204 P208	T204-Q206 PolarHBondContact O-N 2.89Å; Q206-P208 WeakPolarHBondContact O-CD 3.33Å
207	E	26	Very low	28.3	Very low	155 Å²	155	148.9 Å²	148.9	72%	0.724	77%	0.77	S	S	*	*			trans	-73.3	119.6	175.2	-153.4	179.6	153	0	0	108.7	H205 Q209	H205-E207 IonicContact CE1-OE2 2.93Å; E207-Q209 PolarHBondContact O-N 2.61Å
208	P	27.7	Very low	28.6	Very low	105 Å²	105	145.8 Å²	145.8	68%	0.682	77%	0.767	S	S	*	*			trans	-73.3	115.8	177.7	18.3	-13.9	0	0	0	109.3	Q206 Q210	Q206-P208 WeakPolarHBondContact O-CD 3.33Å; P208-Q210 PolarHBondContact O-N 3.25Å
209	Q	29.9	Very low	28.5	Very low	177 Å²	177	149.4 Å²	149.4	83%	0.827	77%	0.77	S	S	*	*			trans	-49.2	99.1	169.9	-74.7	174.7	5.7	0	0	110.6	E207	E207-Q209 PolarHBondContact O-N 2.61Å
210	Q	28.5	Very low	28.5	Very low	178 Å²	178	150.1 Å²	150.1	83%	0.832	78%	0.775	S	S	*	*			trans	-88.3	103.8	161.3	-80.5	-176.6	40.4	0	0	107.9	P208 Q212	P208-Q210 PolarHBondContact O-N 3.25Å; Q210-Q212 PolarHBondContact O-N 2.95Å
211	Q	30	Very low	28.4	Very low	177 Å²	177	150.5 Å²	150.5	83%	0.827	78%	0.775	S	S	*	*			trans	-60.7	95.6	169.4	-77.4	170.5	-2.6	0	0	109.4	L213	Q211-L213 PolarHBondContact O-N 3.18Å
212	Q	28.2	Very low	28.3	Very low	165 Å²	165	148.9 Å²	148.9	77%	0.771	77%	0.769	S	S	*	*			trans	-83.9	100.1	172.4	-164.1	159.8	80.3	0	0	108	Q210 Q214	Q210-Q212 PolarHBondContact O-N 2.95Å; Q212-Q214 VanDerWaalsContact C-N 3.31Å; Q212-Q214 PolarHBondContact O-N 3.14Å
213	L	26.9	Very low	28.2	Very low	165 Å²	165	151.7 Å²	151.7	86%	0.864	77%	0.774	S	S	*	*			trans	-63.6	93.1	168.9	-83.3	154.7	0	0	0	108.8	Q211 Q215	Q211-L213 PolarHBondContact O-N 3.18Å; L213-Q215 PolarHBondContact O-N 2.78Å
214	Q	26.7	Very low	28.2	Very low	149 Å²	149	154.7 Å²	154.7	70%	0.696	78%	0.775	S	S	*	*			trans	-72.1	91.9	176.8	-163.3	115.3	81.9	0	0	109.3	Q212 N216	Q212-Q214 VanDerWaalsContact C-N 3.31Å; Q212-Q214 PolarHBondContact O-N 3.14Å; Q214-N216 PolarHBondContact O-N 3.06Å; Q214-N216 VanDerWaalsContact O-N 3.14Å
215	Q	28.4	Very low	28.2	Very low	168 Å²	168	158.6 Å²	158.6	79%	0.785	79%	0.786	S	S	*	*			trans	-76.6	98.8	165	-68.9	-172.2	8	0	0	108.4	L213 I217	L213-Q215 PolarHBondContact O-N 2.78Å; Q215-I217 PolarHBondContact O-N 3.27Å
216	N	25.6	Very low	28.3	Very low	140 Å²	140	160.5 Å²	160.5	75%	0.749	80%	0.795	S	S	*	*			trans	-57	100.8	166.9	-93.3	-74.1	0	0	0	109.4	Q214	Q214-N216 PolarHBondContact O-N 3.06Å; Q214-N216 VanDerWaalsContact O-N 3.14Å
217	I	28.3	Very low	28.3	Very low	149 Å²	149	163.6 Å²	163.6	76%	0.764	80%	0.799	S	S	*	*			trans	-108.1	94	162.8	-58.8	176.9	0	0	0	106.5	Q215 R219	Q215-I217 PolarHBondContact O-N 3.27Å; I217-R219 PolarHBondContact O-N 3.47Å; I217-R219 VanDerWaalsContact O-N 3.16Å
218	S	29.9	Very low	28.6	Very low	104 Å²	104	161.6 Å²	161.6	73%	0.727	80%	0.8	S	S	*	*			trans	-54.4	112.9	174.5	-46.5	0	0	0	0	109.8
219	R	26	Very low	28.8	Very low	231 Å²	231	161.9 Å²	161.9	87%	0.872	80%	0.804	S	S	*	*			trans	-71.2	120.7	174.6	-167.1	177.6	-156	-168	4.7	108.5	I217 T221	I217-R219 PolarHBondContact O-N 3.47Å; I217-R219 VanDerWaalsContact O-N 3.16Å; R219-T221 PolarHBondContact O-N 3.46Å; R219-T221 VanDerWaalsContact O-N 3.09Å
220	P	32	Very low	28.8	Very low	118 Å²	118	160.6 Å²	160.6	77%	0.766	80%	0.802	S	S	*	*			trans	-70.5	111	179	-2.3	15.1	0	0	0	109.6	S222	P220-S222 PolarHBondContact O-N 2.97Å
221	T	27.3	Very low	28.9	Very low	133 Å²	133	159.3 Å²	159.3	82%	0.816	80%	0.801	S	S	*	*			trans	-67.7	104.4	161	39.3	0	0	0	0	108.4	R219	R219-T221 PolarHBondContact O-N 3.46Å; R219-T221 VanDerWaalsContact O-N 3.09Å
222	S	28.3	Very low	28.9	Very low	100 Å²	100	157.9 Å²	157.9	70%	0.699	80%	0.798	S	S	*	*			trans	-121	119	168.7	171.1	0	0	0	0	108	P220 Y224	P220-S222 PolarHBondContact O-N 2.97Å; S222-Y224 PolarHBondContact O-N 3.41Å
223	H	31.2	Very low	29.1	Very low	175 Å²	175	155.3 Å²	155.3	81%	0.81	80%	0.795	S	S	*	*			trans	-64.9	119.8	-172.6	-67.9	-89.3	0	0	0	110.7	E225	H223-E225 PolarHBondContact O-N 3.05Å
224	Y	27.4	Very low	29.2	Very low	223 Å²	223	153 Å²	153	88%	0.875	79%	0.788	S	S	*	*			trans	-74.9	113	167	-83.2	-90.1	0	0	0	108.8	S222 Q226	S222-Y224 PolarHBondContact O-N 3.41Å; Y224-Q226 PolarHBondContact O-N 2.96Å
225	E	29.2	Very low	29.3	Very low	191 Å²	191	153.6 Å²	153.6	89%	0.893	79%	0.794	S	S	*	*			trans	-58.1	119.1	169.3	-72.8	-178.9	154.2	0	0	110.2	H223 R227	H223-E225 PolarHBondContact O-N 3.05Å; E225-R227 PolarHBondContact O-N 2.93Å
226	Q	27.6	Very low	29.4	Very low	195 Å²	195	154.6 Å²	154.6	91%	0.911	79%	0.792	S	S	*	*			trans	-67.1	109.7	172.8	-69.5	171.3	-0.6	0	0	108.9	Y224	Y224-Q226 PolarHBondContact O-N 2.96Å
227	R	29	Very low	29.7	Very low	237 Å²	237	153.8 Å²	153.8	89%	0.894	79%	0.794	S	S	*	*			trans	-87.4	136.6	164.9	-116.9	-173.1	-171.2	-148	2.3	109.8	E225	E225-R227 PolarHBondContact O-N 2.93Å
228	P	32.2	Very low	29.7	Very low	113 Å²	113	152.7 Å²	152.7	73%	0.734	79%	0.794	S	S	*	*			trans	-70.1	138.5	-167.1	-13.8	29	0	0	0	112.6	I230	P228-I230 PolarHBondContact O-N 3.28Å; P228-I230 VanDerWaalsContact O-N 3.11Å
229	S	32.3	Very low	29.8	Very low	111 Å²	111	153.1 Å²	153.1	78%	0.776	80%	0.797	S	S	*	*			trans	-56.3	104.4	172.3	-48.1	0	0	0	0	111	N231	S229-N231 PolarHBondContact O-N 2.91Å
230	I	29.8	Very low	29.9	Very low	151 Å²	151	149.6 Å²	149.6	77%	0.774	80%	0.796	S	S	*	*			trans	-79.6	105.3	167	-65.1	173	0	0	0	107.1	P228 L232	P228-I230 PolarHBondContact O-N 3.28Å; P228-I230 VanDerWaalsContact O-N 3.11Å; I230-L232 HydrophobicContact CG2-CD1 4.16Å; I230-L232 PolarHBondContact O-N 3.36Å
231	N	30.9	Very low	29.8	Very low	151 Å²	151	152.6 Å²	152.6	81%	0.807	80%	0.8	S	S	*	*			trans	-61	109.6	169.8	-70.8	-33	0	0	0	109.1	S229	S229-N231 PolarHBondContact O-N 2.91Å
232	L	28.9	Very low	29.7	Very low	147 Å²	147	151.2 Å²	151.2	77%	0.77	80%	0.795	S	S	*	*			trans	-106.6	131.7	168.8	-131.9	77.6	0	0	0	109.5	I230	I230-L232 HydrophobicContact CG2-CD1 4.16Å; I230-L232 PolarHBondContact O-N 3.36Å
233	P	33.1	Very low	29.7	Very low	110 Å²	110	152.4 Å²	152.4	71%	0.714	80%	0.798	S	S	*	*			trans	-68.7	142.1	-169.9	-15.1	29.3	0	0	0	113.1	I235	P233-I235 PolarHBondContact O-N 2.91Å
234	V	28.8	Very low	29.4	Very low	118 Å²	118	151.1 Å²	151.1	72%	0.715	80%	0.797	S	S	*	*			trans	-69.2	104.8	172.2	176.7	0	0	0	0	108.5	Y236	V234-Y236 HydrophobicContact CG1-CE2 4.47Å
235	I	29.2	Very low	29.3	Very low	160 Å²	160	144.2 Å²	144.2	82%	0.821	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-90.1	118.5	172	-63.3	176.2	0	0	0	107.9	P233	P233-I235 PolarHBondContact O-N 2.91Å
236	Y	29.5	Very low	29.1	Very low	190 Å²	190	141 Å²	141	75%	0.745	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-69.1	149.1	179.7	-73.1	-89.4	0	0	0	112.3	V234 V238	V234-Y236 HydrophobicContact CG1-CE2 4.47Å; Y236-V238 PolarHBondContact O-N 3.35Å
237	P	31.8	Very low	29.1	Very low	122 Å²	122	140.3 Å²	140.3	79%	0.792	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-73.8	120.1	-175.6	28.8	-32.8	0	0	0	111.4
238	V	30.3	Very low	28.8	Very low	126 Å²	126	137.5 Å²	137.5	76%	0.764	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-78.8	129.2	168.3	179	0	0	0	0	108.8	Y236 N240	Y236-V238 PolarHBondContact O-N 3.35Å; V238-N240 PolarHBondContact O-N 3.48Å
239	S	30.1	Very low	28.5	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.3	117.3	179.1	-163.6	0	0	0	0	110.5	Q241	S239-Q241 PolarHBondContact O-N 2.97Å
240	N	29.1	Very low	28.2	Very low	157 Å²	157	139.9 Å²	139.9	84%	0.84	77%	0.769	S	S	*	*			trans	-79.4	106.9	177.8	-69.8	-30.8	0	0	0	109.3	V238 S242	V238-N240 PolarHBondContact O-N 3.48Å; N240-S242 PolarHBondContact O-N 3.31Å
241	Q	28.9	Very low	28	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	77%	0.768	S	S	*	*			trans	-66.1	127.2	164	-95.7	178.3	24.7	0	0	109.7	S239 V243	S239-Q241 PolarHBondContact O-N 2.97Å; Q241-V243 PolarHBondContact O-N 3.37Å
242	S	25.9	Very low	27.7	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	76%	0.764	S	S	*	*			trans	-65.3	104.2	174.6	54.4	0	0	0	0	110.3	N240	N240-S242 PolarHBondContact O-N 3.31Å
243	V	28	Very low	27.5	Very low	124 Å²	124	138.8 Å²	138.8	75%	0.752	77%	0.767	S	S	*	*			trans	-100.6	104.5	162.1	-167.5	0	0	0	0	107	Q241 S245	Q241-V243 PolarHBondContact O-N 3.37Å; V243-S245 VanDerWaalsContact C-N 3.29Å; V243-S245 PolarHBondContact O-N 2.88Å
244	N	25	Very low	27.3	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	76%	0.763	S	S	*	*			trans	-65.7	87	169.4	-68.8	-24.1	0	0	0	108.4
245	S	26.7	Very low	27.2	Very low	78 Å²	78	139.6 Å²	139.6	55%	0.545	76%	0.761	S	S	.	*			trans	-102	93.3	164.5	64.3	0	0	0	0	108.3	V243 Y247	V243-S245 VanDerWaalsContact C-N 3.29Å; V243-S245 PolarHBondContact O-N 2.88Å; S245-Y247 VanDerWaalsContact C-N 3.27Å; S245-Y247 WeakPolarHBondContact O-CD1 3.41Å; S245-Y247 PolarHBondContact O-N 2.91Å
246	S	23.5	Very low	27.3	Very low	122 Å²	122	141 Å²	141	85%	0.853	76%	0.761	S	S	*	*			trans	-64.5	88.5	162	-56.9	0	0	0	0	108.1
247	Y	27.7	Very low	27.3	Very low	182 Å²	182	138.1 Å²	138.1	71%	0.714	76%	0.756	S	S	*	*			trans	-93	108.7	163.3	49.4	-89.5	0	0	0	107.5	S245 L249	S245-Y247 VanDerWaalsContact C-N 3.27Å; S245-Y247 WeakPolarHBondContact O-CD1 3.41Å; S245-Y247 PolarHBondContact O-N 2.91Å; Y247-L249 PolarHBondContact O-N 3.47Å
248	E	23.6	Very low	27.5	Very low	177 Å²	177	135 Å²	135	83%	0.827	74%	0.736	S	S	*	*			trans	-48.3	127.4	161.6	-78.4	175.7	133.4	0	0	108.5	T250	E248-T250 PolarHBondContact O-N 3.12Å
249	L	25.3	Very low	27.8	Very low	164 Å²	164	139 Å²	139	86%	0.859	74%	0.743	S	S	*	*			trans	-67.9	82.4	170.3	-73.5	162.5	0	0	0	107.6	Y247 S251	Y247-L249 PolarHBondContact O-N 3.47Å; L249-S251 PolarHBondContact O-N 2.94Å; L249-S251 VanDerWaalsContact O-N 3.1Å
250	T	26.1	Very low	28.2	Very low	111 Å²	111	137.1 Å²	137.1	68%	0.681	73%	0.73	S	S	*	*			trans	-60.1	116.5	163.5	-43.4	0	0	0	0	106.3	E248 L252	E248-T250 PolarHBondContact O-N 3.12Å; T250-L252 PolarHBondContact O-N 3.49Å
251	S	24.7	Very low	28.6	Very low	109 Å²	109	137.1 Å²	137.1	76%	0.762	73%	0.729	S	S	*	*			trans	-60.7	78.6	175.4	-165.6	0	0	0	0	108.9	L249 Q253	L249-S251 PolarHBondContact O-N 2.94Å; L249-S251 VanDerWaalsContact O-N 3.1Å; S251-Q253 VanDerWaalsContact C-N 3.31Å; S251-Q253 PolarHBondContact O-N 3.23Å
252	L	26.4	Very low	29.4	Very low	139 Å²	139	132.8 Å²	132.8	73%	0.728	72%	0.715	S	S	*	*			trans	-71.5	98.7	169.4	-75.6	174.4	0	0	0	105.9	T250 T254	T250-L252 PolarHBondContact O-N 3.49Å; L252-T254 PolarHBondContact O-N 2.88Å
253	Q	24.1	Very low	30.3	Very low	177 Å²	177	132.7 Å²	132.7	83%	0.827	71%	0.712	S	S	*	*			trans	-56.1	68.9	152.3	-74.1	174.3	-83.6	0	0	108.4	S251 E255	S251-Q253 VanDerWaalsContact C-N 3.31Å; S251-Q253 PolarHBondContact O-N 3.23Å; Q253-E255 PolarHBondContact O-N 3.43Å
254	T	29.2	Very low	31.2	Very low	102 Å²	102	130.6 Å²	130.6	63%	0.626	70%	0.696	S	S	*	*			trans	-79	85.5	161.8	-53.5	0	0	0	0	105.1	L252 F256	L252-T254 PolarHBondContact O-N 2.88Å; T254-F256 PolarHBondContact O-N 3.25Å
255	E	25.7	Very low	32.4	Very low	144 Å²	144	129.4 Å²	129.4	67%	0.673	69%	0.688	S	S	*	*			trans	-34.4	96.5	152.1	-81.8	-81.7	149.6	0	0	107.8	Q253 M257	Q253-E255 PolarHBondContact O-N 3.43Å; E255-M257 HydrophobicContact CB-CE 4.37Å; E255-M257 PolarHBondContact O-N 2.99Å
256	F	30.9	Very low	33.5	Very low	188 Å²	188	132.4 Å²	132.4	83%	0.825	69%	0.693	S	S	*	*			trans	-76.2	83.6	-176.4	-152.6	-89.7	0	0	0	106.1	T254 P258	T254-F256 PolarHBondContact O-N 3.25Å; F256-P258 WeakPolarHBondContact O-CD 3.48Å; F256-P258 VanDerWaalsContact O-N 3.14Å
257	M	29.6	Very low	35.2	Very low	131 Å²	131	130.6 Å²	130.6	65%	0.645	68%	0.677	S	S	*	*			trans	-57.1	112.7	175.5	-77.3	-72.4	118.2	0	0	108.8	E255 K259	E255-M257 HydrophobicContact CB-CE 4.37Å; E255-M257 PolarHBondContact O-N 2.99Å; M257-K259 PolarHBondContact O-N 2.93Å
258	P	37.5	Very low	36.9	Very low	57 Å²	57	125.8 Å²	125.8	37%	0.37	68%	0.683	S	S	.	*			trans	-69.7	100.8	177.7	27.1	-29.6	0	0	0	108.5	F256 S260	F256-P258 WeakPolarHBondContact O-CD 3.48Å; F256-P258 VanDerWaalsContact O-N 3.14Å; P258-S260 PolarHBondContact O-N 3.1Å
259	K	35.6	Very low	38.8	Very low	209 Å²	209	121.2 Å²	121.2	91%	0.909	66%	0.664	S	S	*	*			trans	-67	70	165.7	-71.1	177.9	178.9	175.9	0	109.8	M257	M257-K259 PolarHBondContact O-N 2.93Å
260	S	38.6	Very low	41	Very low	75 Å²	75	118 Å²	118	52%	0.524	66%	0.656	S	S	.	*			trans	-145.3	69.9	154.6	71.4	0	0	0	0	108.6	P258 T262	P258-S260 PolarHBondContact O-N 3.1Å; S260-T262 PolarHBondContact O-N 3.13Å
261	L	36.8	Very low	43.4	Very low	157 Å²	157	114.4 Å²	114.4	82%	0.822	64%	0.64	S	S	*	*			trans	-56.4	99.5	152.5	-89.1	80.3	0	0	0	105.8
262	T	45.6	Very low	45.8	Very low	90 Å²	90	113 Å²	113	55%	0.552	62%	0.624	S	S	*	*			trans	-54.1	123.8	152.4	36	0	0	0	0	105.7	S260 I264	S260-T262 PolarHBondContact O-N 3.13Å; T262-I264 PolarHBondContact O-N 3.4Å
263	P	45.3	Very low	48.2	Very low	102 Å²	102	108 Å²	108	66%	0.662	60%	0.598	S	S	*	*			trans	-55.8	118.2	-179	22.1	-30.7	0	0	0	107.1	I265	P263-I265 VanDerWaalsContact C-N 3.33Å; P263-I265 PolarHBondContact O-N 3.35Å
264	I	46.7	Very low	50.9	Low	79 Å²	79	104.3 Å²	104.3	41%	0.405	59%	0.587	S	S	.	*			trans	-62.1	105.6	170.1	-63.1	168.7	0	0	0	103.6	T262 H266	T262-I264 PolarHBondContact O-N 3.4Å; I264-H266 PolarHBondContact O-CD2 2.89Å; I264-H266 PolarHBondContact O-N 2.81Å
265	I	50.4	Low	53.3	Low	125 Å²	125	104.2 Å²	104.2	64%	0.641	58%	0.582	S	S	*	*			trans	-69.9	93.8	171.8	-58.4	178.8	0	0	0	104	P263 T267	P263-I265 VanDerWaalsContact C-N 3.33Å; P263-I265 PolarHBondContact O-N 3.35Å; I265-T267 VanDerWaalsContact C-N 3.32Å; I265-T267 PolarHBondContact O-N 2.91Å; I265-T267 PolarHBondContact O-OG1 3.36Å
266	H	50	Low	55.8	Low	140 Å²	140	100 Å²	100	65%	0.648	57%	0.568	S	S	*	*			trans	-62.1	99.2	172.5	-70.9	-68.4	0	0	0	106.9	I264 G268 D273	I264-H266 PolarHBondContact O-CD2 2.89Å; I264-H266 PolarHBondContact O-N 2.81Å; H266-G268 PolarHBondContact O-N 3.36Å; H266-D273 WeakPolarHBondContact CA-OD1 3.23Å; H266-D273 IonicContact CE1-OD2 3.85Å; H266-D273 IonicContact CG-OD2 3.67Å; H266-D273 IonicContact ND1-OD2 2.81Å; H266-D273 PolarHBondContact ND1-OD2 3.27Å
267	T	59.7	Low	58.3	Low	84 Å²	84	93.6 Å²	93.6	52%	0.515	55%	0.55	S	S	.	.			trans	-81.9	5.1	-171.2	-44.6	0	0	0	0	110.8	I265 D269 L272 D273	I265-T267 VanDerWaalsContact C-N 3.32Å; I265-T267 PolarHBondContact O-N 2.91Å; I265-T267 PolarHBondContact O-OG1 3.36Å; T267-D269 PolarHBondContact O-N 3.44Å; T267-L272 HydrophobicContact CG2-CD1 3.83Å; T267-D273 PolarHBondContact N-OD1 3.47Å; T267-D273 VanDerWaalsContact N-OD1 3.1Å
268	G	63.4	Low	61	Low	81 Å²	81	89.8 Å²	89.8	84%	0.835	54%	0.54	S	S	*	.	S	Bend	trans	76.5	-3.2	-173.1	0	0	0	0	0	113.4	H266	H266-G268 PolarHBondContact O-N 3.36Å
269	D	64	Low	63.3	Low	81 Å²	81	90.7 Å²	90.7	43%	0.433	54%	0.54	S	S	.	.			trans	-112.1	113.6	177.3	-174.9	-4.7	0	0	0	109.9	T267 G271 L272 D273	T267-D269 PolarHBondContact O-N 3.44Å; D269-G271 PolarHBondContact O-N 3.33Å; D269-G271 VanDerWaalsContact O-N 3.14Å; D269-G271 PolarHBondContact OD1-N 3.49Å; D269-G271 VanDerWaalsContact OD1-N 3.07Å; D269-L272 HydrophobicContact CB-CB 4.25Å; D269-L272 HydrophobicContact CB-CD1 4.05Å; D269-L272 HydrophobicContact CB-CG 4.08Å; D269-L272 PolarHBondContact O-N 3.06Å; D269-L272 VanDerWaalsContact O-N 3.09Å; D269-D273 PolarHBondContact O-N 2.88Å; D269-D273 VanDerWaalsContact O-N 3.14Å
270	S	71.6	Confident	65.7	Low	98 Å²	98	82 Å²	82	69%	0.685	51%	0.51	S	S	*	.	H	α-helix	trans	-55.2	-29.7	179.8	64.3	0	0	0	0	113.6	T274	S270-T274 PolarHBondContact O-N 3.49Å; S270-T274 PolarHBondContact O-OG1 3.3Å
271	G	76.4	Confident	68.2	Low	34 Å²	34	84.3 Å²	84.3	35%	0.351	51%	0.512	S	S	.	.	H	α-helix	trans	-69.7	-44.9	177.1	0	0	0	0	0	112.1	D269 T274 I275	D269-G271 PolarHBondContact O-N 3.33Å; D269-G271 VanDerWaalsContact O-N 3.14Å; D269-G271 PolarHBondContact OD1-N 3.49Å; D269-G271 VanDerWaalsContact OD1-N 3.07Å; G271-T274 PolarHBondContact O-N 3.01Å; G271-I275 WeakPolarHBondContact O-CG1 3.41Å; G271-I275 PolarHBondContact O-N 3.09Å; G271-I275 VanDerWaalsContact O-N 3.14Å
272	L	74.4	Confident	70.7	Confident	81 Å²	81	82.8 Å²	82.8	42%	0.424	50%	0.501	S	S	.	.	H	α-helix	trans	-66.4	-38.9	178.9	-67.4	-179.4	0	0	0	112	T267 D269 T274 I275 S276	T267-L272 HydrophobicContact CG2-CD1 3.83Å; D269-L272 HydrophobicContact CB-CB 4.25Å; D269-L272 HydrophobicContact CB-CD1 4.05Å; D269-L272 HydrophobicContact CB-CG 4.08Å; D269-L272 PolarHBondContact O-N 3.06Å; D269-L272 VanDerWaalsContact O-N 3.09Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-T274 PolarHBondContact O-N 2.93Å; L272-I275 PolarHBondContact O-N 3.31Å; L272-S276 WeakPolarHBondContact O-CB 3.3Å; L272-S276 PolarHBondContact O-N 3.47Å
273	D	76.7	Confident	72.7	Confident	34 Å²	34	84.9 Å²	84.9	18%	0.182	50%	0.503	C	S	.	.	H	α-helix	trans	-63.8	-39.7	177.7	-75.4	5.9	0	0	0	111.5	H266 T267 D269 S276 A277	H266-D273 WeakPolarHBondContact CA-OD1 3.23Å; H266-D273 IonicContact CE1-OD2 3.85Å; H266-D273 IonicContact CG-OD2 3.67Å; H266-D273 IonicContact ND1-OD2 2.81Å; H266-D273 PolarHBondContact ND1-OD2 3.27Å; T267-D273 PolarHBondContact N-OD1 3.47Å; T267-D273 VanDerWaalsContact N-OD1 3.1Å; D269-D273 PolarHBondContact O-N 2.88Å; D269-D273 VanDerWaalsContact O-N 3.14Å; D273-S276 PolarHBondContact O-N 3.44Å; D273-A277 WeakPolarHBondContact O-CB 3.44Å; D273-A277 PolarHBondContact O-N 3.41Å
274	T	81.3	Confident	74.9	Confident	99 Å²	99	82 Å²	82	61%	0.607	48%	0.482	S	S	*	.	H	α-helix	trans	-63.2	-43.7	175.5	-56.3	0	0	0	0	111.6	S270 G271 L272 A277 A278	S270-T274 PolarHBondContact O-N 3.49Å; S270-T274 PolarHBondContact O-OG1 3.3Å; G271-T274 PolarHBondContact O-N 3.01Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-T274 PolarHBondContact O-N 2.93Å; T274-A277 PolarHBondContact O-N 3.44Å; T274-A278 WeakPolarHBondContact O-CB 3.47Å; T274-A278 PolarHBondContact O-N 2.94Å
275	I	78.8	Confident	77	Confident	100 Å²	100	80.9 Å²	80.9	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-64.8	-43.1	176.6	-65.9	165.4	0	0	0	110.6	G271 L272 A277 A278 I279	G271-I275 WeakPolarHBondContact O-CG1 3.41Å; G271-I275 PolarHBondContact O-N 3.09Å; G271-I275 VanDerWaalsContact O-N 3.14Å; L272-I275 PolarHBondContact O-N 3.31Å; I275-A277 VanDerWaalsContact C-N 3.34Å; I275-A277 PolarHBondContact O-N 2.91Å; I275-A278 PolarHBondContact O-N 3.33Å; I275-I279 HydrophobicContact CG2-CD1 3.8Å; I275-I279 HydrophobicContact CG2-CG1 4.39Å; I275-I279 VanDerWaalsContact O-CG1 3.31Å; I275-I279 WeakPolarHBondContact O-CG1 3.48Å; I275-I279 PolarHBondContact O-N 2.95Å
276	S	78.4	Confident	78.8	Confident	54 Å²	54	80.5 Å²	80.5	38%	0.378	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-42.4	178.8	-139.2	0	0	0	0	111.6	L272 D273 I279 G280	L272-S276 WeakPolarHBondContact O-CB 3.3Å; L272-S276 PolarHBondContact O-N 3.47Å; D273-S276 PolarHBondContact O-N 3.44Å; S276-I279 PolarHBondContact O-N 2.88Å; S276-G280 PolarHBondContact O-N 3.15Å
277	A	83.7	Confident	80.7	Confident	54 Å²	54	79 Å²	79	45%	0.446	47%	0.471	S	S	.	.	H	α-helix	trans	-63.2	-43.7	173.9	0	0	0	0	0	112.1	D273 T274 I275 I279 G280 H281	D273-A277 WeakPolarHBondContact O-CB 3.44Å; D273-A277 PolarHBondContact O-N 3.41Å; T274-A277 PolarHBondContact O-N 3.44Å; I275-A277 VanDerWaalsContact C-N 3.34Å; I275-A277 PolarHBondContact O-N 2.91Å; A277-I279 PolarHBondContact O-N 2.89Å; A277-G280 PolarHBondContact O-N 3.21Å; A277-H281 PolarHBondContact O-N 3.37Å
278	A	87.1	Confident	82.3	Confident	52 Å²	52	80.9 Å²	80.9	43%	0.43	47%	0.468	S	S	.	.	H	α-helix	trans	-62	-42.9	176.6	0	0	0	0	0	112.4	T274 I275 G280 H281 Q282	T274-A278 WeakPolarHBondContact O-CB 3.47Å; T274-A278 PolarHBondContact O-N 2.94Å; I275-A278 PolarHBondContact O-N 3.33Å; A278-G280 VanDerWaalsContact C-N 3.34Å; A278-G280 PolarHBondContact O-N 3.41Å; A278-H281 PolarHBondContact O-N 3.01Å; A278-Q282 WeakPolarHBondContact O-CG 3.39Å; A278-Q282 PolarHBondContact O-N 3.11Å
279	I	84.3	Confident	83.6	Confident	75 Å²	75	81.9 Å²	81.9	39%	0.385	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-41	174.7	-68.1	168	0	0	0	110.7	I275 S276 A277 Q282 K283	I275-I279 HydrophobicContact CG2-CD1 3.8Å; I275-I279 HydrophobicContact CG2-CG1 4.39Å; I275-I279 VanDerWaalsContact O-CG1 3.31Å; I275-I279 WeakPolarHBondContact O-CG1 3.48Å; I275-I279 PolarHBondContact O-N 2.95Å; S276-I279 PolarHBondContact O-N 2.88Å; A277-I279 PolarHBondContact O-N 2.89Å; I279-Q282 PolarHBondContact O-N 3.5Å; I279-K283 HydrophobicContact CG2-CD 4.39Å; I279-K283 WeakPolarHBondContact O-CG 3.4Å; I279-K283 PolarHBondContact O-N 3.22Å
280	G	87.2	Confident	84.8	Confident	27 Å²	27	83.2 Å²	83.2	28%	0.278	46%	0.458	S	S	.	.	H	α-helix	trans	-57.8	-48.6	174.4	0	0	0	0	0	112.1	S276 A277 A278 K283 D284	S276-G280 PolarHBondContact O-N 3.15Å; A277-G280 PolarHBondContact O-N 3.21Å; A278-G280 VanDerWaalsContact C-N 3.34Å; A278-G280 PolarHBondContact O-N 3.41Å; G280-K283 PolarHBondContact O-N 2.93Å; G280-D284 PolarHBondContact O-N 3.42Å; G280-D284 VanDerWaalsContact O-N 3.1Å
281	H	89.6	Confident	85.6	Confident	123 Å²	123	85.8 Å²	85.8	57%	0.569	45%	0.453	S	S	*	.	H	α-helix	trans	-60.4	-46	176.1	-178.8	-73.5	0	0	0	112.2	A277 A278 K283 D284 V285	A277-H281 PolarHBondContact O-N 3.37Å; A278-H281 PolarHBondContact O-N 3.01Å; H281-K283 VanDerWaalsContact C-N 3.32Å; H281-K283 PolarHBondContact O-N 3.45Å; H281-D284 PolarHBondContact O-N 3.4Å; H281-V285 VanDerWaalsContact CE1-CG2 3.47Å; H281-V285 WeakPolarHBondContact CE1-CG2 3.34Å; H281-V285 WeakPolarHBondContact O-CG2 2.95Å; H281-V285 PolarHBondContact O-N 3.01Å
282	Q	89.4	Confident	86.4	Confident	126 Å²	126	87.8 Å²	87.8	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-59.8	-40	177.7	-75.1	179.2	-34.4	0	0	112.5	A278 I279 V285 L286	A278-Q282 WeakPolarHBondContact O-CG 3.39Å; A278-Q282 PolarHBondContact O-N 3.11Å; I279-Q282 PolarHBondContact O-N 3.5Å; Q282-V285 PolarHBondContact O-N 3.02Å; Q282-L286 WeakPolarHBondContact O-CG 3.4Å; Q282-L286 PolarHBondContact O-N 3.24Å
283	K	88.7	Confident	87.2	Confident	133 Å²	133	89.9 Å²	89.9	58%	0.578	46%	0.461	S	S	*	.	H	α-helix	trans	-63.9	-41.9	175.6	-76	176.5	179.5	174	0	112.3	I279 G280 H281 L286 Q287	I279-K283 HydrophobicContact CG2-CD 4.39Å; I279-K283 WeakPolarHBondContact O-CG 3.4Å; I279-K283 PolarHBondContact O-N 3.22Å; G280-K283 PolarHBondContact O-N 2.93Å; H281-K283 VanDerWaalsContact C-N 3.32Å; H281-K283 PolarHBondContact O-N 3.45Å; K283-L286 PolarHBondContact O-N 3.21Å; K283-Q287 WeakPolarHBondContact O-CB 3.31Å; K283-Q287 PolarHBondContact O-N 3.34Å
284	D	90.7	Very high	87.8	Confident	42 Å²	42	93.4 Å²	93.4	23%	0.225	48%	0.477	C	S	.	.	H	α-helix	trans	-66	-40.6	179	-164.6	24.5	0	0	0	111.4	G280 H281 Q287 R288	G280-D284 PolarHBondContact O-N 3.42Å; G280-D284 VanDerWaalsContact O-N 3.1Å; H281-D284 PolarHBondContact O-N 3.4Å; D284-Q287 PolarHBondContact O-N 3.43Å; D284-R288 WeakPolarHBondContact O-CG 3.39Å; D284-R288 PolarHBondContact O-N 2.87Å; D284-R288 IonicContact OD1-CZ 3.83Å; D284-R288 IonicContact OD1-NH1 3.95Å; D284-R288 PolarHBondContact OD1-NH1 3.18Å; D284-R288 IonicContact OD1-NH2 2.71Å; D284-R288 IonicContact OD2-CZ 3.78Å; D284-R288 IonicContact OD2-NH1 3.5Å; D284-R288 PolarHBondContact OD2-NH1 3.44Å; D284-R288 IonicContact OD2-NH2 2.87Å; D284-R288 PolarHBondContact OD2-NH2 2.63Å
285	V	90.3	Very high	88.3	Confident	56 Å²	56	94 Å²	94	34%	0.339	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-46.6	171.7	172.9	0	0	0	0	111.6	H281 Q282 Q287 R288 L289	H281-V285 VanDerWaalsContact CE1-CG2 3.47Å; H281-V285 WeakPolarHBondContact CE1-CG2 3.34Å; H281-V285 WeakPolarHBondContact O-CG2 2.95Å; H281-V285 PolarHBondContact O-N 3.01Å; Q282-V285 PolarHBondContact O-N 3.02Å; V285-Q287 VanDerWaalsContact C-N 3.34Å; V285-Q287 PolarHBondContact O-N 3.03Å; V285-R288 PolarHBondContact O-N 2.75Å; V285-L289 HydrophobicContact CG1-CD1 4.18Å; V285-L289 WeakPolarHBondContact O-CG 3.41Å; V285-L289 PolarHBondContact O-N 3.18Å
286	L	89.4	Confident	88.9	Confident	117 Å²	117	97.2 Å²	97.2	61%	0.613	48%	0.476	S	S	*	.	H	α-helix	trans	-61.2	-41.8	177.6	-76.7	171.5	0	0	0	112.1	Q282 K283 L289 E290	Q282-L286 WeakPolarHBondContact O-CG 3.4Å; Q282-L286 PolarHBondContact O-N 3.24Å; K283-L286 PolarHBondContact O-N 3.21Å; L286-L289 PolarHBondContact O-N 3.47Å; L286-E290 PolarHBondContact O-N 3.31Å
287	Q	89.9	Confident	89.4	Confident	109 Å²	109	98.7 Å²	98.7	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-64.6	-40.8	177.4	-172.2	175.8	21.5	0	0	112	K283 D284 V285 E290 Y291	K283-Q287 WeakPolarHBondContact O-CB 3.31Å; K283-Q287 PolarHBondContact O-N 3.34Å; D284-Q287 PolarHBondContact O-N 3.43Å; V285-Q287 VanDerWaalsContact C-N 3.34Å; V285-Q287 PolarHBondContact O-N 3.03Å; Q287-E290 PolarHBondContact O-N 2.98Å; Q287-Y291 PolarHBondContact O-N 3.36Å
288	R	92.3	Very high	89.6	Confident	123 Å²	123	101.7 Å²	101.7	46%	0.464	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-42.1	174	-76.5	-165.9	-99.8	-80.1	9.7	112.2	D284 V285 Y291 E292	D284-R288 WeakPolarHBondContact O-CG 3.39Å; D284-R288 PolarHBondContact O-N 2.87Å; D284-R288 IonicContact OD1-CZ 3.83Å; D284-R288 IonicContact OD1-NH1 3.95Å; D284-R288 PolarHBondContact OD1-NH1 3.18Å; D284-R288 IonicContact OD1-NH2 2.71Å; D284-R288 IonicContact OD2-CZ 3.78Å; D284-R288 IonicContact OD2-NH1 3.5Å; D284-R288 PolarHBondContact OD2-NH1 3.44Å; D284-R288 IonicContact OD2-NH2 2.87Å; D284-R288 PolarHBondContact OD2-NH2 2.63Å; V285-R288 PolarHBondContact O-N 2.75Å; R288-Y291 PolarHBondContact O-N 3.33Å; R288-E292 WeakPolarHBondContact O-CB 3.48Å; R288-E292 PolarHBondContact O-N 2.87Å
289	L	91	Very high	89.9	Confident	101 Å²	101	105.3 Å²	105.3	53%	0.529	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-41	176.2	-71.8	172.6	0	0	0	112.1	V285 L286 E292 Q293	V285-L289 HydrophobicContact CG1-CD1 4.18Å; V285-L289 WeakPolarHBondContact O-CG 3.41Å; V285-L289 PolarHBondContact O-N 3.18Å; L286-L289 PolarHBondContact O-N 3.47Å; L289-E292 PolarHBondContact O-N 3.5Å; L289-Q293 WeakPolarHBondContact O-CB 3.34Å; L289-Q293 VanDerWaalsContact O-CG 3.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.2Å; L289-Q293 PolarHBondContact O-N 2.83Å
290	E	89.8	Confident	90	Very high	110 Å²	110	107.7 Å²	107.7	51%	0.514	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-45.1	175.3	-176.3	179.6	-159.6	0	0	111.5	L286 Q287 Q293 Q294	L286-E290 PolarHBondContact O-N 3.31Å; Q287-E290 PolarHBondContact O-N 2.98Å; E290-Q293 PolarHBondContact O-N 2.87Å; E290-Q294 WeakPolarHBondContact O-CG 3.22Å; E290-Q294 PolarHBondContact O-N 3.32Å
291	Y	89.1	Confident	90	Very high	151 Å²	151	111.3 Å²	111.3	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-61.3	-44.3	176.3	178.8	-101.7	0	0	0	112.3	Q287 R288 Q293 Q294 K295	Q287-Y291 PolarHBondContact O-N 3.36Å; R288-Y291 PolarHBondContact O-N 3.33Å; Y291-Q293 PolarHBondContact O-N 3.39Å; Y291-Q294 PolarHBondContact O-N 3.48Å; Y291-K295 WeakPolarHBondContact O-CB 3.42Å; Y291-K295 PolarHBondContact O-N 2.84Å
292	E	92.3	Very high	89.9	Confident	76 Å²	76	108.4 Å²	108.4	36%	0.355	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-40	175.2	-84.2	-64.5	135.8	0	0	112.3	R288 L289 K295 R296	R288-E292 WeakPolarHBondContact O-CB 3.48Å; R288-E292 PolarHBondContact O-N 2.87Å; L289-E292 PolarHBondContact O-N 3.5Å; E292-K295 PolarHBondContact O-N 3.48Å; E292-R296 WeakPolarHBondContact O-CG 3.4Å; E292-R296 PolarHBondContact O-N 3.16Å
293	Q	91	Very high	89.8	Confident	125 Å²	125	107 Å²	107	58%	0.584	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-46.8	173.2	-76.6	179	-13.3	0	0	111.7	L289 E290 Y291 K295 R296 I297	L289-Q293 WeakPolarHBondContact O-CB 3.34Å; L289-Q293 VanDerWaalsContact O-CG 3.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.2Å; L289-Q293 PolarHBondContact O-N 2.83Å; E290-Q293 PolarHBondContact O-N 2.87Å; Y291-Q293 PolarHBondContact O-N 3.39Å; Q293-K295 VanDerWaalsContact C-N 3.35Å; Q293-K295 PolarHBondContact O-N 3.02Å; Q293-R296 PolarHBondContact O-N 3.42Å; Q293-I297 VanDerWaalsContact O-CG1 3.29Å; Q293-I297 WeakPolarHBondContact O-CG1 3.17Å; Q293-I297 PolarHBondContact O-N 3.2Å
294	Q	90.5	Very high	89.6	Confident	109 Å²	109	102.2 Å²	102.2	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-61.8	-41.8	177.5	-71.4	176.7	9.4	0	0	111.9	E290 Y291 I297 L298	E290-Q294 WeakPolarHBondContact O-CG 3.22Å; E290-Q294 PolarHBondContact O-N 3.32Å; Y291-Q294 PolarHBondContact O-N 3.48Å; Q294-I297 PolarHBondContact O-N 3.36Å; Q294-L298 WeakPolarHBondContact O-CB 3.34Å; Q294-L298 PolarHBondContact O-N 3.49Å
295	K	90.9	Very high	89.2	Confident	112 Å²	112	103.7 Å²	103.7	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-45	176.4	-175	-179	175.1	-171.3	0	111.9	Y291 E292 Q293 L298 Q299	Y291-K295 WeakPolarHBondContact O-CB 3.42Å; Y291-K295 PolarHBondContact O-N 2.84Å; E292-K295 PolarHBondContact O-N 3.48Å; Q293-K295 VanDerWaalsContact C-N 3.35Å; Q293-K295 PolarHBondContact O-N 3.02Å; K295-L298 PolarHBondContact O-N 2.83Å; K295-Q299 WeakPolarHBondContact O-CB 3.49Å; K295-Q299 PolarHBondContact O-N 3.43Å
296	R	90.8	Very high	88.9	Confident	166 Å²	166	104.6 Å²	104.6	63%	0.626	50%	0.498	S	S	*	.	H	α-helix	trans	-62.2	-41.7	175.1	-74.8	-179.3	-171.3	171.7	2.3	112.3	E292 Q293 Q299 M300	E292-R296 WeakPolarHBondContact O-CG 3.4Å; E292-R296 PolarHBondContact O-N 3.16Å; Q293-R296 PolarHBondContact O-N 3.42Å; R296-Q299 PolarHBondContact O-N 3.26Å; R296-M300 WeakPolarHBondContact O-CB 3.41Å; R296-M300 PolarHBondContact O-N 3.42Å
297	I	89.4	Confident	88.6	Confident	85 Å²	85	105.1 Å²	105.1	44%	0.436	49%	0.492	S	S	.	.	H	α-helix	trans	-62.3	-44.9	176.3	-69.7	165.8	0	0	0	110.4	Q293 Q294 Q299 M300 Q301	Q293-I297 VanDerWaalsContact O-CG1 3.29Å; Q293-I297 WeakPolarHBondContact O-CG1 3.17Å; Q293-I297 PolarHBondContact O-N 3.2Å; Q294-I297 PolarHBondContact O-N 3.36Å; I297-Q299 PolarHBondContact O-N 3.16Å; I297-M300 PolarHBondContact O-N 3.41Å; I297-Q301 WeakPolarHBondContact O-CB 3.18Å; I297-Q301 WeakPolarHBondContact O-CG 3.46Å; I297-Q301 PolarHBondContact O-N 2.97Å
298	L	88.8	Confident	88.1	Confident	117 Å²	117	105.4 Å²	105.4	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-63.7	-41.3	178.1	-173.7	65.2	0	0	0	111.9	Q294 K295 Q301 A302	Q294-L298 WeakPolarHBondContact O-CB 3.34Å; Q294-L298 PolarHBondContact O-N 3.49Å; K295-L298 PolarHBondContact O-N 2.83Å; L298-Q301 PolarHBondContact O-N 3.36Å; L298-A302 WeakPolarHBondContact O-CB 3.45Å; L298-A302 PolarHBondContact O-N 2.85Å
299	Q	92	Very high	87.5	Confident	128 Å²	128	105.9 Å²	105.9	60%	0.598	49%	0.49	S	S	*	.	H	α-helix	trans	-61.8	-46.7	174.8	-175.6	178.3	10.4	0	0	111.6	K295 R296 I297 Q301 A302 E303	K295-Q299 WeakPolarHBondContact O-CB 3.49Å; K295-Q299 PolarHBondContact O-N 3.43Å; R296-Q299 PolarHBondContact O-N 3.26Å; I297-Q299 PolarHBondContact O-N 3.16Å; Q299-Q301 VanDerWaalsContact C-N 3.29Å; Q299-Q301 PolarHBondContact O-N 3.42Å; Q299-A302 PolarHBondContact O-N 3.46Å; Q299-E303 WeakPolarHBondContact O-CB 3.48Å; Q299-E303 PolarHBondContact O-N 3.39Å
300	M	87.8	Confident	87.2	Confident	125 Å²	125	107.5 Å²	107.5	62%	0.616	49%	0.489	S	S	*	.	H	α-helix	trans	-59.1	-40.9	175.5	-173.9	-158	-61.1	0	0	111.4	R296 I297 E303 A304	R296-M300 WeakPolarHBondContact O-CB 3.41Å; R296-M300 PolarHBondContact O-N 3.42Å; I297-M300 PolarHBondContact O-N 3.41Å; M300-E303 PolarHBondContact O-N 2.98Å; M300-A304 VanDerWaalsContact O-CB 3.26Å; M300-A304 WeakPolarHBondContact O-CB 3.33Å; M300-A304 PolarHBondContact O-N 3.37Å
301	Q	87	Confident	86.8	Confident	104 Å²	104	107.4 Å²	107.4	49%	0.486	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-41.4	176.3	-75.2	179.6	-9.9	0	0	112.5	I297 L298 Q299 A304 E305	I297-Q301 WeakPolarHBondContact O-CB 3.18Å; I297-Q301 WeakPolarHBondContact O-CG 3.46Å; I297-Q301 PolarHBondContact O-N 2.97Å; L298-Q301 PolarHBondContact O-N 3.36Å; Q299-Q301 VanDerWaalsContact C-N 3.29Å; Q299-Q301 PolarHBondContact O-N 3.42Å; Q301-A304 PolarHBondContact O-N 2.96Å; Q301-E305 WeakPolarHBondContact O-CB 3.34Å; Q301-E305 PolarHBondContact O-N 3.42Å
302	A	86.7	Confident	86.5	Confident	62 Å²	62	102.6 Å²	102.6	51%	0.512	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-43.7	176.1	0	0	0	0	0	111.4	L298 Q299 E305 E306	L298-A302 WeakPolarHBondContact O-CB 3.45Å; L298-A302 PolarHBondContact O-N 2.85Å; Q299-A302 PolarHBondContact O-N 3.46Å; A302-E305 PolarHBondContact O-N 3.33Å; A302-E306 WeakPolarHBondContact O-CB 3.47Å; A302-E306 PolarHBondContact O-N 2.7Å
303	E	86.7	Confident	86.2	Confident	95 Å²	95	104.3 Å²	104.3	44%	0.444	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-39.7	176.4	-162.3	-168	147.2	0	0	112.1	Q299 M300 E306 R307	Q299-E303 WeakPolarHBondContact O-CB 3.48Å; Q299-E303 PolarHBondContact O-N 3.39Å; M300-E303 PolarHBondContact O-N 2.98Å; E303-E306 PolarHBondContact O-N 3Å; E303-R307 VanDerWaalsContact CD-NH1 3.29Å; E303-R307 PolarHBondContact O-N 3.31Å; E303-R307 IonicContact OE1-CZ 2.69Å; E303-R307 IonicContact OE1-NH1 3.32Å; E303-R307 PolarHBondContact OE1-NH1 2.98Å; E303-R307 IonicContact OE1-NH2 4Å; E303-R307 PolarHBondContact OE1-NH2 3.03Å
304	A	86	Confident	85.9	Confident	34 Å²	34	103.8 Å²	103.8	28%	0.281	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-38.5	175.2	0	0	0	0	0	112.5	M300 Q301 R307 R308	M300-A304 VanDerWaalsContact O-CB 3.26Å; M300-A304 WeakPolarHBondContact O-CB 3.33Å; M300-A304 PolarHBondContact O-N 3.37Å; Q301-A304 PolarHBondContact O-N 2.96Å; A304-R307 PolarHBondContact O-N 3.36Å; A304-R308 WeakPolarHBondContact O-CG 3.31Å; A304-R308 PolarHBondContact O-N 2.93Å
305	E	82.4	Confident	85.6	Confident	72 Å²	72	102.5 Å²	102.5	34%	0.336	48%	0.48	S	S	.	.	H	α-helix	trans	-65.3	-39.4	173.5	179.1	62.9	-164.4	0	0	111.6	Q301 A302 R308 R309	Q301-E305 WeakPolarHBondContact O-CB 3.34Å; Q301-E305 PolarHBondContact O-N 3.42Å; A302-E305 PolarHBondContact O-N 3.33Å; E305-R308 WeakPolarHBondContact O-CB 3.4Å; E305-R308 PolarHBondContact O-N 3.31Å; E305-R308 IonicContact OE2-CZ 2.78Å; E305-R308 IonicContact OE2-NE 2.96Å; E305-R308 PolarHBondContact OE2-NE 3.28Å; E305-R308 IonicContact OE2-NH2 3.27Å; E305-R308 PolarHBondContact OE2-NH2 2.89Å; E305-R309 PolarHBondContact O-N 3.02Å; E305-R309 IonicContact OE1-CZ 3.42Å; E305-R309 IonicContact OE1-NH1 2.69Å
306	E	83.2	Confident	85.3	Confident	75 Å²	75	99.7 Å²	99.7	35%	0.35	48%	0.478	S	S	.	.	H	α-helix	trans	-67	-39.4	176.3	-173.4	63.9	-169.5	0	0	111.9	A302 E303 R308 R309 R310	A302-E306 WeakPolarHBondContact O-CB 3.47Å; A302-E306 PolarHBondContact O-N 2.7Å; E303-E306 PolarHBondContact O-N 3Å; E306-R308 VanDerWaalsContact C-N 3.34Å; E306-R308 PolarHBondContact O-N 3.24Å; E306-R309 PolarHBondContact O-N 2.96Å; E306-R310 VanDerWaalsContact CG-CZ 3.47Å; E306-R310 PolarHBondContact O-N 2.79Å; E306-R310 IonicContact OE1-CZ 2.94Å; E306-R310 IonicContact OE1-NE 3.74Å; E306-R310 IonicContact OE1-NH2 2.8Å; E306-R310 PolarHBondContact OE1-NH2 2.84Å
307	R	81.9	Confident	85.2	Confident	129 Å²	129	98 Å²	98	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-58.4	-44.7	169.8	-79.1	-167.9	-177.5	81.2	4.3	111.8	E303 A304 R309 R310 E311	E303-R307 VanDerWaalsContact CD-NH1 3.29Å; E303-R307 PolarHBondContact O-N 3.31Å; E303-R307 IonicContact OE1-CZ 2.69Å; E303-R307 IonicContact OE1-NH1 3.32Å; E303-R307 PolarHBondContact OE1-NH1 2.98Å; E303-R307 IonicContact OE1-NH2 4Å; E303-R307 PolarHBondContact OE1-NH2 3.03Å; A304-R307 PolarHBondContact O-N 3.36Å; R307-R309 VanDerWaalsContact C-N 3.34Å; R307-R309 PolarHBondContact O-N 3.41Å; R307-R310 PolarHBondContact O-N 2.73Å; R307-E311 WeakPolarHBondContact O-CG 3.25Å; R307-E311 PolarHBondContact O-N 3.01Å
308	R	80	Confident	84.9	Confident	115 Å²	115	96.4 Å²	96.4	43%	0.434	47%	0.465	S	S	.	.	H	α-helix	trans	-59.4	-42.6	175.8	-75.2	-170.9	-67.9	-86.9	8.8	112.4	A304 E305 E306 E311 A312	A304-R308 WeakPolarHBondContact O-CG 3.31Å; A304-R308 PolarHBondContact O-N 2.93Å; E305-R308 WeakPolarHBondContact O-CB 3.4Å; E305-R308 PolarHBondContact O-N 3.31Å; E305-R308 IonicContact OE2-CZ 2.78Å; E305-R308 IonicContact OE2-NE 2.96Å; E305-R308 PolarHBondContact OE2-NE 3.28Å; E305-R308 IonicContact OE2-NH2 3.27Å; E305-R308 PolarHBondContact OE2-NH2 2.89Å; E306-R308 VanDerWaalsContact C-N 3.34Å; E306-R308 PolarHBondContact O-N 3.24Å; R308-E311 PolarHBondContact O-N 3.19Å; R308-A312 VanDerWaalsContact O-CB 3.29Å; R308-A312 WeakPolarHBondContact O-CB 3.49Å; R308-A312 PolarHBondContact O-N 2.65Å
309	R	79.8	Confident	84.5	Confident	132 Å²	132	95 Å²	95	50%	0.498	46%	0.458	S	S	.	.	H	α-helix	trans	-59.4	-47.8	175.3	-85.7	-164.7	173.7	81.4	9.1	111.6	E305 E306 R307 E311 A312 E313	E305-R309 PolarHBondContact O-N 3.02Å; E305-R309 IonicContact OE1-CZ 3.42Å; E305-R309 IonicContact OE1-NH1 2.69Å; E306-R309 PolarHBondContact O-N 2.96Å; R307-R309 VanDerWaalsContact C-N 3.34Å; R307-R309 PolarHBondContact O-N 3.41Å; R309-E311 PolarHBondContact O-N 2.79Å; R309-A312 PolarHBondContact O-N 3.23Å; R309-E313 WeakPolarHBondContact O-CG 3.28Å; R309-E313 PolarHBondContact O-N 2.83Å
310	R	84.6	Confident	84.3	Confident	136 Å²	136	91.4 Å²	91.4	51%	0.513	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-43.4	179.1	-68.5	-172	-173.1	110.2	13.2	112.6	E306 R307 A312 E313 L314	E306-R310 VanDerWaalsContact CG-CZ 3.47Å; E306-R310 PolarHBondContact O-N 2.79Å; E306-R310 IonicContact OE1-CZ 2.94Å; E306-R310 IonicContact OE1-NE 3.74Å; E306-R310 IonicContact OE1-NH2 2.8Å; E306-R310 PolarHBondContact OE1-NH2 2.84Å; R307-R310 PolarHBondContact O-N 2.73Å; R310-A312 VanDerWaalsContact C-N 3.34Å; R310-A312 PolarHBondContact O-N 3.32Å; R310-E313 PolarHBondContact O-N 2.89Å; R310-L314 WeakPolarHBondContact O-CG 3.47Å; R310-L314 PolarHBondContact O-N 3.45Å
311	E	82.7	Confident	84.3	Confident	108 Å²	108	90.4 Å²	90.4	51%	0.505	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-42.4	175.1	-72.8	173.2	-168.6	0	0	111.7	R307 R308 R309 L314 Y315	R307-E311 WeakPolarHBondContact O-CG 3.25Å; R307-E311 PolarHBondContact O-N 3.01Å; R308-E311 PolarHBondContact O-N 3.19Å; R309-E311 PolarHBondContact O-N 2.79Å; E311-L314 PolarHBondContact O-N 3.01Å; E311-Y315 WeakPolarHBondContact O-CB 3.46Å; E311-Y315 PolarHBondContact O-N 2.86Å
312	A	82.7	Confident	84.3	Confident	50 Å²	50	86.6 Å²	86.6	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-65.3	-38.2	176.5	0	0	0	0	0	112.5	R308 R309 R310 Y315 A316	R308-A312 VanDerWaalsContact O-CB 3.29Å; R308-A312 WeakPolarHBondContact O-CB 3.49Å; R308-A312 PolarHBondContact O-N 2.65Å; R309-A312 PolarHBondContact O-N 3.23Å; R310-A312 VanDerWaalsContact C-N 3.34Å; R310-A312 PolarHBondContact O-N 3.32Å; A312-Y315 PolarHBondContact O-N 3.02Å; A312-A316 WeakPolarHBondContact O-CB 3.47Å; A312-A316 PolarHBondContact O-N 2.8Å
313	E	85	Confident	84.3	Confident	112 Å²	112	85.9 Å²	85.9	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-66.1	-42.4	174.3	-75.8	175.1	-167.9	0	0	112.2	R309 R310 Y315 A316 K317	R309-E313 WeakPolarHBondContact O-CG 3.28Å; R309-E313 PolarHBondContact O-N 2.83Å; R310-E313 PolarHBondContact O-N 2.89Å; E313-Y315 VanDerWaalsContact C-N 3.34Å; E313-A316 PolarHBondContact O-N 2.67Å; E313-K317 WeakPolarHBondContact O-CG 3.44Å; E313-K317 PolarHBondContact O-N 2.76Å
314	L	85.4	Confident	84.5	Confident	114 Å²	114	86.1 Å²	86.1	60%	0.597	42%	0.424	S	S	*	.	H	α-helix	trans	-62.3	-44	174.1	-71.1	175.5	0	0	0	111	R310 E311 A316 K317 E318	R310-L314 WeakPolarHBondContact O-CG 3.47Å; R310-L314 PolarHBondContact O-N 3.45Å; E311-L314 PolarHBondContact O-N 3.01Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-A316 PolarHBondContact O-N 3.03Å; L314-K317 PolarHBondContact O-N 3.28Å; L314-E318 PolarHBondContact O-N 3.18Å
315	Y	82.9	Confident	84.7	Confident	82 Å²	82	87.4 Å²	87.4	32%	0.322	42%	0.424	S	S	.	.	H	α-helix	trans	-60.2	-43.5	175	-178.4	-97	0	0	0	111.8	E311 A312 E313 E318 L319 L453	E311-Y315 WeakPolarHBondContact O-CB 3.46Å; E311-Y315 PolarHBondContact O-N 2.86Å; A312-Y315 PolarHBondContact O-N 3.02Å; E313-Y315 VanDerWaalsContact C-N 3.34Å; Y315-E318 PolarHBondContact O-N 3.32Å; Y315-L319 WeakPolarHBondContact O-CB 3.39Å; Y315-L319 PolarHBondContact O-N 2.88Å; Y315-L453 HydrophobicContact CD2-CD2 3.69Å; Y315-L453 HydrophobicContact CE2-CD2 3.55Å
316	A	85.2	Confident	85.1	Confident	53 Å²	53	86.3 Å²	86.3	44%	0.438	43%	0.427	S	S	.	.	H	α-helix	trans	-64.7	-40.4	176.7	0	0	0	0	0	112.5	A312 E313 L314 E318 L319 A320	A312-A316 WeakPolarHBondContact O-CB 3.47Å; A312-A316 PolarHBondContact O-N 2.8Å; E313-A316 PolarHBondContact O-N 2.67Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-A316 PolarHBondContact O-N 3.03Å; A316-E318 VanDerWaalsContact C-N 3.34Å; A316-L319 PolarHBondContact O-N 3.42Å; A316-A320 WeakPolarHBondContact O-CB 3.27Å; A316-A320 PolarHBondContact O-N 3.47Å
317	K	88.2	Confident	85.6	Confident	130 Å²	130	88.7 Å²	88.7	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-61.7	-43.2	173.9	-75.9	174.6	-178.7	174.2	0	111.4	E313 L314 A320 K321	E313-K317 WeakPolarHBondContact O-CG 3.44Å; E313-K317 PolarHBondContact O-N 2.76Å; L314-K317 PolarHBondContact O-N 3.28Å; K317-A320 PolarHBondContact O-N 3.15Å; K317-K321 WeakPolarHBondContact O-CG 3.36Å; K317-K321 PolarHBondContact O-N 3Å
318	E	84.2	Confident	86.1	Confident	51 Å²	51	87.1 Å²	87.1	24%	0.238	43%	0.43	C	S	.	.	H	α-helix	trans	-68.3	-39.5	179.2	-160.2	54.7	-141.2	0	0	111.7	L314 Y315 A316 A320 K321 N322 V449 L453	L314-E318 PolarHBondContact O-N 3.18Å; Y315-E318 PolarHBondContact O-N 3.32Å; A316-E318 VanDerWaalsContact C-N 3.34Å; E318-A320 VanDerWaalsContact C-N 3.3Å; E318-A320 PolarHBondContact O-N 3.27Å; E318-K321 PolarHBondContact O-N 3.33Å; E318-K321 IonicContact OE2-NZ 3.04Å; E318-K321 PolarHBondContact OE2-NZ 2.92Å; E318-N322 WeakPolarHBondContact O-CB 3.47Å; E318-N322 PolarHBondContact O-N 2.93Å; E318-V449 HydrophobicContact CG-CG1 4.44Å; E318-L453 HydrophobicContact CB-CD2 4.43Å; E318-L453 HydrophobicContact CG-CD2 4.22Å
319	L	80.9	Confident	86.7	Confident	88 Å²	88	82.7 Å²	82.7	46%	0.461	41%	0.414	S	S	.	.	H	α-helix	trans	-60.4	-39.9	172.5	-171.7	69.1	0	0	0	111.9	Y315 A316 N322 A323	Y315-L319 WeakPolarHBondContact O-CB 3.39Å; Y315-L319 PolarHBondContact O-N 2.88Å; A316-L319 PolarHBondContact O-N 3.42Å; L319-N322 PolarHBondContact O-N 2.85Å; L319-A323 WeakPolarHBondContact O-CB 3.38Å; L319-A323 PolarHBondContact O-N 3.11Å
320	A	87.4	Confident	87.4	Confident	52 Å²	52	81.2 Å²	81.2	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-42.3	176.4	0	0	0	0	0	112.3	A316 K317 E318 A323 N324	A316-A320 WeakPolarHBondContact O-CB 3.27Å; A316-A320 PolarHBondContact O-N 3.47Å; K317-A320 PolarHBondContact O-N 3.15Å; E318-A320 VanDerWaalsContact C-N 3.3Å; E318-A320 PolarHBondContact O-N 3.27Å; A320-A323 PolarHBondContact O-N 3.42Å; A320-N324 PolarHBondContact O-N 3.43Å; A320-N324 PolarHBondContact O-ND2 3.21Å
321	K	87.3	Confident	87.9	Confident	105 Å²	105	79.5 Å²	79.5	46%	0.457	41%	0.411	S	S	.	.	H	α-helix	trans	-60.9	-46.7	172.7	-68.8	177.3	-166.7	162.3	0	111.4	K317 E318 A323 N324 H325	K317-K321 WeakPolarHBondContact O-CG 3.36Å; K317-K321 PolarHBondContact O-N 3Å; E318-K321 PolarHBondContact O-N 3.33Å; E318-K321 IonicContact OE2-NZ 3.04Å; E318-K321 PolarHBondContact OE2-NZ 2.92Å; K321-A323 VanDerWaalsContact C-N 3.27Å; K321-A323 PolarHBondContact O-N 2.97Å; K321-N324 WeakPolarHBondContact O-CB 3.49Å; K321-N324 PolarHBondContact O-N 3.29Å; K321-N324 VanDerWaalsContact O-N 3.09Å; K321-H325 PolarHBondContact O-N 3.07Å; K321-H325 PolarHBondContact O-ND1 3.14Å
322	N	86.4	Confident	88.4	Confident	23 Å²	23	74.5 Å²	74.5	12%	0.123	39%	0.388	C	S	.	.	H	α-helix	trans	-58.6	-39.6	177	-169.3	63	0	0	0	111.7	E318 L319 H325 A326 M446 H450	E318-N322 WeakPolarHBondContact O-CB 3.47Å; E318-N322 PolarHBondContact O-N 2.93Å; L319-N322 PolarHBondContact O-N 2.85Å; N322-H325 PolarHBondContact O-N 3.3Å; N322-A326 WeakPolarHBondContact O-CB 3.43Å; N322-A326 PolarHBondContact O-N 3.48Å; N322-M446 WeakPolarHBondContact OD1-CE 3.44Å; N322-M446 PolarHBondContact OD1-SD 2.92Å; N322-H450 PolarHBondContact OD1-CE1 2.86Å
323	A	87.9	Confident	89	Confident	47 Å²	47	75.9 Å²	75.9	39%	0.388	39%	0.386	S	S	.	.	H	α-helix	trans	-65.9	-39.4	174.1	0	0	0	0	0	112.8	L319 A320 K321 A326 K327	L319-A323 WeakPolarHBondContact O-CB 3.38Å; L319-A323 PolarHBondContact O-N 3.11Å; A320-A323 PolarHBondContact O-N 3.42Å; K321-A323 VanDerWaalsContact C-N 3.27Å; K321-A323 PolarHBondContact O-N 2.97Å; A323-A326 PolarHBondContact O-N 3.06Å; A323-K327 WeakPolarHBondContact O-CG 3.42Å; A323-K327 PolarHBondContact O-N 3.5Å
324	N	91.6	Very high	89.4	Confident	100 Å²	100	75.4 Å²	75.4	54%	0.535	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-43.4	174.8	-71.7	-25.3	0	0	0	111.8	A320 K321 A326 K327 R328	A320-N324 PolarHBondContact O-N 3.43Å; A320-N324 PolarHBondContact O-ND2 3.21Å; K321-N324 WeakPolarHBondContact O-CB 3.49Å; K321-N324 PolarHBondContact O-N 3.29Å; K321-N324 VanDerWaalsContact O-N 3.09Å; N324-A326 VanDerWaalsContact C-N 3.3Å; N324-A326 PolarHBondContact O-N 3.02Å; N324-K327 PolarHBondContact O-N 2.91Å; N324-R328 PolarHBondContact O-N 3.31Å
325	H	89.5	Confident	89.8	Confident	62 Å²	62	73 Å²	73	29%	0.287	37%	0.367	S	S	.	.	H	α-helix	trans	-60.1	-40.7	173.3	-65.6	142.9	0	0	0	111.7	K321 N322 K327 R328 M329 L442 M446	K321-H325 PolarHBondContact O-N 3.07Å; K321-H325 PolarHBondContact O-ND1 3.14Å; N322-H325 PolarHBondContact O-N 3.3Å; H325-K327 PolarHBondContact O-N 3.35Å; H325-R328 PolarHBondContact O-N 3.29Å; H325-M329 WeakPolarHBondContact O-CG 3.28Å; H325-M329 PolarHBondContact O-N 2.62Å; H325-L442 HydrophobicContact CB-CD1 4.07Å; H325-M446 HydrophobicContact CB-CE 4.15Å; H325-M446 HydrophobicContact CB-CG 4.04Å; H325-M446 HydrophobicContact CB-SD 3.22Å; H325-M446 WeakPolarHBondContact CB-SD 3.4Å
326	A	89.8	Confident	90.3	Very high	48 Å²	48	71.5 Å²	71.5	40%	0.397	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-40.3	175.5	0	0	0	0	0	112.5	N322 A323 N324 M329 E330 M446	N322-A326 WeakPolarHBondContact O-CB 3.43Å; N322-A326 PolarHBondContact O-N 3.48Å; A323-A326 PolarHBondContact O-N 3.06Å; N324-A326 VanDerWaalsContact C-N 3.3Å; N324-A326 PolarHBondContact O-N 3.02Å; A326-M329 WeakPolarHBondContact O-CB 3.44Å; A326-M329 PolarHBondContact O-N 2.94Å; A326-E330 PolarHBondContact O-N 3.45Å; A326-E330 VanDerWaalsContact O-N 3.12Å; A326-M446 HydrophobicContact CB-CE 4.35Å
327	K	93.4	Very high	90.5	Very high	126 Å²	126	77.4 Å²	77.4	55%	0.548	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-45.5	173.2	-71.5	178.5	179.8	179.8	0	112	A323 N324 H325 M329 E330 E331	A323-K327 WeakPolarHBondContact O-CG 3.42Å; A323-K327 PolarHBondContact O-N 3.5Å; N324-K327 PolarHBondContact O-N 2.91Å; H325-K327 PolarHBondContact O-N 3.35Å; K327-M329 VanDerWaalsContact C-N 3.29Å; K327-M329 PolarHBondContact O-N 3.31Å; K327-E330 WeakPolarHBondContact O-CB 3.22Å; K327-E330 PolarHBondContact O-N 3.39Å; K327-E330 VanDerWaalsContact O-N 3.13Å; K327-E331 WeakPolarHBondContact O-CG 3.48Å; K327-E331 PolarHBondContact O-N 3.46Å
328	R	93.7	Very high	90.7	Very high	95 Å²	95	79.8 Å²	79.8	36%	0.358	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-38.4	177	179	59.5	-180	160.4	4.2	111.8	N324 H325 E331 L332 E438 L442	N324-R328 PolarHBondContact O-N 3.31Å; H325-R328 PolarHBondContact O-N 3.29Å; R328-E331 IonicContact NH1-OE2 3.73Å; R328-E331 PolarHBondContact O-N 3.23Å; R328-L332 HydrophobicContact CG-CD1 4.21Å; R328-L332 WeakPolarHBondContact O-CB 3.42Å; R328-L332 WeakPolarHBondContact O-CG 3.42Å; R328-L332 PolarHBondContact O-N 3.41Å; R328-E438 IonicContact NH2-OE2 2.61Å; R328-E438 PolarHBondContact NH2-OE2 3.07Å; R328-E438 VanDerWaalsContact NH2-OE2 3.09Å; R328-L442 HydrophobicContact CB-CD2 3.93Å; R328-L442 HydrophobicContact CG-CD2 3.64Å
329	M	92.5	Very high	91	Very high	22 Å²	22	80.3 Å²	80.3	11%	0.108	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-46.3	172.7	-77.6	-67.2	-63.4	0	0	111.7	H325 A326 K327 E331 L332 E333 I439 L442 R443	H325-M329 WeakPolarHBondContact O-CG 3.28Å; H325-M329 PolarHBondContact O-N 2.62Å; A326-M329 WeakPolarHBondContact O-CB 3.44Å; A326-M329 PolarHBondContact O-N 2.94Å; K327-M329 VanDerWaalsContact C-N 3.29Å; K327-M329 PolarHBondContact O-N 3.31Å; M329-E331 VanDerWaalsContact C-N 3.32Å; M329-E331 PolarHBondContact O-N 2.87Å; M329-L332 PolarHBondContact O-N 3.4Å; M329-E333 WeakPolarHBondContact O-CB 3.42Å; M329-E333 WeakPolarHBondContact O-CG 3.34Å; M329-E333 PolarHBondContact O-N 2.92Å; M329-I439 HydrophobicContact CE-CG2 3.74Å; M329-I439 HydrophobicContact SD-CG2 4.46Å; M329-L442 HydrophobicContact CB-CD2 4.42Å; M329-L442 HydrophobicContact CG-CB 4.49Å; M329-L442 HydrophobicContact CG-CD2 3.54Å; M329-L442 HydrophobicContact CG-CG 3.76Å; M329-L442 HydrophobicContact SD-CB 3.6Å; M329-L442 VanDerWaalsContact SD-CB 3.6Å; M329-L442 HydrophobicContact SD-CD2 3.57Å; M329-L442 VanDerWaalsContact SD-CD2 3.57Å; M329-L442 HydrophobicContact SD-CG 3.54Å; M329-L442 VanDerWaalsContact SD-CG 3.54Å; M329-R443 HydrophobicContact CE-CB 4.31Å
330	E	93.8	Very high	91.6	Very high	101 Å²	101	79.1 Å²	79.1	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-39.1	178	-168.5	-167.1	153.3	0	0	112	A326 K327 E333 K334	A326-E330 PolarHBondContact O-N 3.45Å; A326-E330 VanDerWaalsContact O-N 3.12Å; K327-E330 WeakPolarHBondContact O-CB 3.22Å; K327-E330 PolarHBondContact O-N 3.39Å; K327-E330 VanDerWaalsContact O-N 3.13Å; E330-E333 PolarHBondContact O-N 3.36Å; E330-K334 WeakPolarHBondContact O-CG 3.27Å; E330-K334 PolarHBondContact O-N 2.95Å; E330-K334 VanDerWaalsContact OE1-CE 3.26Å; E330-K334 WeakPolarHBondContact OE1-CE 3.03Å; E330-K334 IonicContact OE1-NZ 2.89Å; E330-K334 PolarHBondContact OE1-NZ 2.96Å
331	E	95.5	Very high	91.7	Very high	101 Å²	101	81 Å²	81	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-48.1	174.7	-71.7	168	-174.4	0	0	111.8	K327 R328 M329 E333 K334 E335	K327-E331 WeakPolarHBondContact O-CG 3.48Å; K327-E331 PolarHBondContact O-N 3.46Å; R328-E331 IonicContact NH1-OE2 3.73Å; R328-E331 PolarHBondContact O-N 3.23Å; M329-E331 VanDerWaalsContact C-N 3.32Å; M329-E331 PolarHBondContact O-N 2.87Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 3.26Å; E331-K334 WeakPolarHBondContact O-CB 3.5Å; E331-K334 PolarHBondContact O-N 2.99Å; E331-E335 WeakPolarHBondContact O-CB 3Å; E331-E335 PolarHBondContact O-N 3.32Å
332	L	93.7	Very high	91.9	Very high	2 Å²	2	79.1 Å²	79.1	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-62.3	-37.8	176.5	-75.5	171.9	0	0	0	111.9	R328 M329 E335 L336 V435 E438 I439 L442	R328-L332 HydrophobicContact CG-CD1 4.21Å; R328-L332 WeakPolarHBondContact O-CB 3.42Å; R328-L332 WeakPolarHBondContact O-CG 3.42Å; R328-L332 PolarHBondContact O-N 3.41Å; M329-L332 PolarHBondContact O-N 3.4Å; L332-E335 PolarHBondContact O-N 3.06Å; L332-L336 WeakPolarHBondContact O-CB 3.37Å; L332-L336 PolarHBondContact O-N 2.89Å; L332-V435 HydrophobicContact CD2-CG1 4.19Å; L332-E438 HydrophobicContact CD1-CB 4.1Å; L332-E438 HydrophobicContact CD2-CB 4.29Å; L332-I439 HydrophobicContact CB-CD1 4.03Å; L332-I439 HydrophobicContact CB-CG1 3.58Å; L332-I439 HydrophobicContact CD1-CG1 4.15Å; L332-I439 HydrophobicContact CG-CG1 4.42Å; L332-L442 HydrophobicContact CD1-CD2 4.1Å
333	E	94.3	Very high	92.1	Very high	79 Å²	79	78.1 Å²	78.1	37%	0.369	37%	0.368	S	S	.	.	H	α-helix	trans	-66.4	-35.9	175	-75.9	179.6	177.8	0	0	112.4	M329 E330 E331 R337 I439	M329-E333 WeakPolarHBondContact O-CB 3.42Å; M329-E333 WeakPolarHBondContact O-CG 3.34Å; M329-E333 PolarHBondContact O-N 2.92Å; E330-E333 PolarHBondContact O-N 3.36Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 3.26Å; E333-R337 WeakPolarHBondContact O-CG 3.43Å; E333-R337 PolarHBondContact O-N 2.83Å; E333-I439 HydrophobicContact CG-CD1 4.37Å
334	K	94.4	Very high	92.4	Very high	103 Å²	103	81.6 Å²	81.6	45%	0.448	38%	0.375	S	S	.	.	H	α-helix	trans	-67.4	-41.2	172	-72.6	168.9	-174.2	162	0	111.1	E330 E331 R337 R338	E330-K334 WeakPolarHBondContact O-CG 3.27Å; E330-K334 PolarHBondContact O-N 2.95Å; E330-K334 VanDerWaalsContact OE1-CE 3.26Å; E330-K334 WeakPolarHBondContact OE1-CE 3.03Å; E330-K334 IonicContact OE1-NZ 2.89Å; E330-K334 PolarHBondContact OE1-NZ 2.96Å; E331-K334 WeakPolarHBondContact O-CB 3.5Å; E331-K334 PolarHBondContact O-N 2.99Å; K334-R337 PolarHBondContact O-N 2.93Å; K334-R338 WeakPolarHBondContact O-CG 3.39Å; K334-R338 PolarHBondContact O-N 2.82Å; K334-R338 VanDerWaalsContact O-N 3.13Å
335	E	93	Very high	92.5	Very high	62 Å²	62	82.8 Å²	82.8	29%	0.29	38%	0.377	S	S	.	.	H	α-helix	trans	-64.2	-44.1	177.3	-177.8	164.1	-165.2	0	0	111.5	E331 L332 R337 R338 W339 V435	E331-E335 WeakPolarHBondContact O-CB 3Å; E331-E335 PolarHBondContact O-N 3.32Å; L332-E335 PolarHBondContact O-N 3.06Å; E335-R337 VanDerWaalsContact C-N 3.28Å; E335-R337 PolarHBondContact O-N 3.39Å; E335-R338 WeakPolarHBondContact O-CB 3.35Å; E335-R338 PolarHBondContact O-N 3.47Å; E335-W339 VanDerWaalsContact CG-CD1 3.42Å; E335-W339 PolarHBondContact O-N 3.24Å; E335-W339 PolarHBondContact OE1-NE1 3.36Å; E335-W339 VanDerWaalsContact OE1-NE1 3.1Å; E335-V435 HydrophobicContact CG-CG1 4.45Å; E335-V435 HydrophobicContact CG-CG2 4.19Å
336	L	92.8	Very high	92.6	Very high	51 Å²	51	81 Å²	81	27%	0.267	37%	0.37	S	S	.	.	H	α-helix	trans	-57.1	-41.8	174.4	-174.9	68.1	0	0	0	111.6	L332 W339 T340 M432 V435 I439	L332-L336 WeakPolarHBondContact O-CB 3.37Å; L332-L336 PolarHBondContact O-N 2.89Å; L336-W339 PolarHBondContact O-N 2.99Å; L336-T340 VanDerWaalsContact O-CB 3.3Å; L336-T340 WeakPolarHBondContact O-CB 3.42Å; L336-T340 PolarHBondContact O-N 3.24Å; L336-T340 PolarHBondContact O-OG1 3.28Å; L336-M432 HydrophobicContact CD1-CG 3.8Å; L336-V435 HydrophobicContact CB-CG1 3.94Å; L336-V435 HydrophobicContact CD1-CB 4.45Å; L336-V435 HydrophobicContact CD1-CG1 4.21Å; L336-I439 HydrophobicContact CB-CD1 4.13Å; L336-I439 HydrophobicContact CD2-CD1 3.93Å
337	R	91.2	Very high	92.7	Very high	177 Å²	177	84.2 Å²	84.2	67%	0.668	37%	0.372	S	S	*	.	H	α-helix	trans	-61.4	-44.9	175.3	-70.8	171.9	-172.1	-82.9	-1.1	111.6	E333 K334 E335 T340 D341	E333-R337 WeakPolarHBondContact O-CG 3.43Å; E333-R337 PolarHBondContact O-N 2.83Å; K334-R337 PolarHBondContact O-N 2.93Å; E335-R337 VanDerWaalsContact C-N 3.28Å; E335-R337 PolarHBondContact O-N 3.39Å; R337-T340 WeakPolarHBondContact O-CB 3.31Å; R337-T340 PolarHBondContact O-N 3.1Å; R337-D341 PolarHBondContact O-N 2.97Å
338	R	91.6	Very high	92.7	Very high	181 Å²	181	82.1 Å²	82.1	68%	0.683	36%	0.364	S	S	*	.	H	α-helix	trans	-60.2	-48.5	177.2	-68.3	174	179.8	174.8	-0.6	111.6	K334 E335 T340 D341 E342	K334-R338 WeakPolarHBondContact O-CG 3.39Å; K334-R338 PolarHBondContact O-N 2.82Å; K334-R338 VanDerWaalsContact O-N 3.13Å; E335-R338 WeakPolarHBondContact O-CB 3.35Å; E335-R338 PolarHBondContact O-N 3.47Å; R338-T340 VanDerWaalsContact C-N 3.3Å; R338-T340 PolarHBondContact O-N 3.28Å; R338-D341 PolarHBondContact O-N 2.57Å; R338-E342 PolarHBondContact O-N 2.64Å
339	W	90	Very high	92.7	Very high	61 Å²	61	85.1 Å²	85.1	23%	0.231	38%	0.376	C	S	.	.	H	α-helix	trans	-67	-32.2	178.3	-66.2	122.3	0	0	0	112.5	E335 L336 E342 A343 R431 M432	E335-W339 VanDerWaalsContact CG-CD1 3.42Å; E335-W339 PolarHBondContact O-N 3.24Å; E335-W339 PolarHBondContact OE1-NE1 3.36Å; E335-W339 VanDerWaalsContact OE1-NE1 3.1Å; L336-W339 PolarHBondContact O-N 2.99Å; W339-E342 HydrophobicContact CE3-CB 4.49Å; W339-E342 WeakPolarHBondContact CZ3-OE2 3.3Å; W339-E342 PolarHBondContact O-N 2.86Å; W339-A343 WeakPolarHBondContact O-CB 3.35Å; W339-A343 PolarHBondContact O-N 3.06Å; W339-R431 HydrophobicContact CD2-CB 4.2Å; W339-R431 HydrophobicContact CE3-CB 4.25Å; W339-R431 VanDerWaalsContact CZ3-CD 3.49Å; W339-M432 HydrophobicContact CB-CB 4.37Å
340	T	92.9	Very high	92.7	Very high	63 Å²	63	85.3 Å²	85.3	39%	0.387	38%	0.377	S	S	.	.	H	α-helix	trans	-63.8	-45.2	173	-58.3	0	0	0	0	111.1	L336 R337 R338 E342 A343 K344	L336-T340 VanDerWaalsContact O-CB 3.3Å; L336-T340 WeakPolarHBondContact O-CB 3.42Å; L336-T340 PolarHBondContact O-N 3.24Å; L336-T340 PolarHBondContact O-OG1 3.28Å; R337-T340 WeakPolarHBondContact O-CB 3.31Å; R337-T340 PolarHBondContact O-N 3.1Å; R338-T340 VanDerWaalsContact C-N 3.3Å; R338-T340 PolarHBondContact O-N 3.28Å; T340-E342 VanDerWaalsContact C-N 3.34Å; T340-A343 PolarHBondContact O-N 3.2Å; T340-K344 WeakPolarHBondContact O-CB 3.32Å; T340-K344 PolarHBondContact O-N 2.77Å
341	D	91.3	Very high	92.7	Very high	92 Å²	92	85.4 Å²	85.4	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-39.6	177	-70.2	-27.9	0	0	0	111.1	R337 R338 K344 Q345	R337-D341 PolarHBondContact O-N 2.97Å; R338-D341 PolarHBondContact O-N 2.57Å; D341-K344 WeakPolarHBondContact O-CB 3.25Å; D341-K344 PolarHBondContact O-N 2.9Å; D341-Q345 WeakPolarHBondContact O-CG 3.48Å; D341-Q345 PolarHBondContact O-N 3.41Å
342	E	90	Very high	92.7	Very high	66 Å²	66	86.5 Å²	86.5	31%	0.308	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-46.5	174.2	-174.6	177.8	145.9	0	0	112.2	R338 W339 T340 K344 Q345 T346 R431	R338-E342 PolarHBondContact O-N 2.64Å; W339-E342 HydrophobicContact CE3-CB 4.49Å; W339-E342 WeakPolarHBondContact CZ3-OE2 3.3Å; W339-E342 PolarHBondContact O-N 2.86Å; T340-E342 VanDerWaalsContact C-N 3.34Å; E342-K344 PolarHBondContact O-N 3.44Å; E342-Q345 WeakPolarHBondContact O-CB 3.33Å; E342-Q345 PolarHBondContact O-N 2.91Å; E342-Q345 VanDerWaalsContact O-N 3.1Å; E342-T346 WeakPolarHBondContact O-CG2 3.31Å; E342-T346 PolarHBondContact O-N 2.87Å; E342-R431 IonicContact OE1-CZ 3.9Å; E342-R431 IonicContact OE1-NE 3.82Å; E342-R431 IonicContact OE1-NH2 2.84Å; E342-R431 PolarHBondContact OE1-NH2 2.91Å
343	A	91.9	Very high	92.7	Very high	2 Å²	2	88.3 Å²	88.3	2%	0.017	40%	0.395	C	S	.	.	H	α-helix	trans	-58.4	-40.3	175.4	0	0	0	0	0	110.9	W339 T340 T346 R347 A428	W339-A343 WeakPolarHBondContact O-CB 3.35Å; W339-A343 PolarHBondContact O-N 3.06Å; T340-A343 PolarHBondContact O-N 3.2Å; A343-T346 PolarHBondContact O-N 2.86Å; A343-T346 PolarHBondContact O-OG1 2.98Å; A343-R347 WeakPolarHBondContact O-CG 3.43Å; A343-R347 PolarHBondContact O-N 2.77Å; A343-R347 VanDerWaalsContact O-N 3.14Å; A343-A428 HydrophobicContact CB-CB 4.32Å
344	K	93.4	Very high	92.7	Very high	120 Å²	120	90 Å²	90	52%	0.522	40%	0.402	S	S	.	.	H	α-helix	trans	-62	-47.1	172.9	-171.4	-173.9	179.7	-152.3	0	112.1	T340 D341 E342 T346 R347 E348	T340-K344 WeakPolarHBondContact O-CB 3.32Å; T340-K344 PolarHBondContact O-N 2.77Å; D341-K344 WeakPolarHBondContact O-CB 3.25Å; D341-K344 PolarHBondContact O-N 2.9Å; E342-K344 PolarHBondContact O-N 3.44Å; K344-T346 VanDerWaalsContact C-N 3.32Å; K344-T346 PolarHBondContact O-N 2.89Å; K344-R347 WeakPolarHBondContact O-CB 3.28Å; K344-R347 PolarHBondContact O-N 2.79Å; K344-E348 WeakPolarHBondContact CE-OE1 3.47Å; K344-E348 IonicContact NZ-OE1 2.96Å; K344-E348 WeakPolarHBondContact O-CG 3.45Å; K344-E348 PolarHBondContact O-N 2.71Å
345	Q	94.2	Very high	92.8	Very high	125 Å²	125	88.7 Å²	88.7	58%	0.584	41%	0.405	S	S	*	.	H	α-helix	trans	-61	-38.9	177.1	-73.7	177	15.6	0	0	112.4	D341 E342 R347 E348 R349	D341-Q345 WeakPolarHBondContact O-CG 3.48Å; D341-Q345 PolarHBondContact O-N 3.41Å; E342-Q345 WeakPolarHBondContact O-CB 3.33Å; E342-Q345 PolarHBondContact O-N 2.91Å; E342-Q345 VanDerWaalsContact O-N 3.1Å; Q345-R347 VanDerWaalsContact C-N 3.34Å; Q345-R347 PolarHBondContact O-N 3.26Å; Q345-E348 PolarHBondContact O-N 3.15Å; Q345-R349 VanDerWaalsContact O-CB 3.31Å; Q345-R349 WeakPolarHBondContact O-CB 3.36Å; Q345-R349 PolarHBondContact O-N 3.33Å
346	T	92	Very high	92.9	Very high	23 Å²	23	88.5 Å²	88.5	14%	0.141	41%	0.414	C	S	.	.	H	α-helix	trans	-65.9	-36.6	176.9	62.6	0	0	0	0	112.3	E342 A343 K344 L350 A428	E342-T346 WeakPolarHBondContact O-CG2 3.31Å; E342-T346 PolarHBondContact O-N 2.87Å; A343-T346 PolarHBondContact O-N 2.86Å; A343-T346 PolarHBondContact O-OG1 2.98Å; K344-T346 VanDerWaalsContact C-N 3.32Å; K344-T346 PolarHBondContact O-N 2.89Å; T346-L350 PolarHBondContact O-N 2.97Å; T346-L350 VanDerWaalsContact O-N 3.09Å; T346-A428 HydrophobicContact CG2-CB 4.29Å
347	R	91	Very high	93	Very high	117 Å²	117	87.7 Å²	87.7	44%	0.442	41%	0.408	S	S	.	.	H	α-helix	trans	-64.5	-50	172.7	-71.4	168.7	-169.7	174.1	6.4	111.4	A343 K344 Q345 R349 L350 D351 R425 D429	A343-R347 WeakPolarHBondContact O-CG 3.43Å; A343-R347 PolarHBondContact O-N 2.77Å; A343-R347 VanDerWaalsContact O-N 3.14Å; K344-R347 WeakPolarHBondContact O-CB 3.28Å; K344-R347 PolarHBondContact O-N 2.79Å; Q345-R347 VanDerWaalsContact C-N 3.34Å; Q345-R347 PolarHBondContact O-N 3.26Å; R347-R349 VanDerWaalsContact C-N 3.27Å; R347-R349 PolarHBondContact O-N 3.45Å; R347-L350 WeakPolarHBondContact O-CB 3.44Å; R347-L350 PolarHBondContact O-N 3.15Å; R347-L350 VanDerWaalsContact O-N 3.09Å; R347-D351 PolarHBondContact O-N 3.45Å; R347-R425 HydrophobicContact CG-CG 4.16Å; R347-D429 IonicContact CZ-OD1 3.24Å; R347-D429 IonicContact NE-OD1 3.68Å; R347-D429 IonicContact NH2-OD1 3.87Å; R347-D429 PolarHBondContact NH2-OD1 2.93Å; R347-D429 IonicContact NH2-OD2 3.97Å
348	E	94.4	Very high	93.2	Very high	81 Å²	81	83 Å²	83	38%	0.379	40%	0.396	S	S	.	.	H	α-helix	trans	-59.1	-39.3	177.6	-70.8	172.2	-179.3	0	0	111.7	K344 Q345 L350 D351 Q352	K344-E348 WeakPolarHBondContact CE-OE1 3.47Å; K344-E348 IonicContact NZ-OE1 2.96Å; K344-E348 WeakPolarHBondContact O-CG 3.45Å; K344-E348 PolarHBondContact O-N 2.71Å; Q345-E348 PolarHBondContact O-N 3.15Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 3.48Å; E348-D351 PolarHBondContact O-N 3.09Å; E348-Q352 WeakPolarHBondContact O-CB 3.39Å; E348-Q352 VanDerWaalsContact O-CG 3.25Å; E348-Q352 WeakPolarHBondContact O-CG 3.5Å; E348-Q352 PolarHBondContact O-N 3.23Å
349	R	92.3	Very high	93.4	Very high	159 Å²	159	79 Å²	79	60%	0.6	39%	0.391	S	S	*	.	H	α-helix	trans	-66.8	-35	177.2	-164.8	169.3	-176.7	91.2	-1.4	112.6	Q345 R347 L353 L421	Q345-R349 VanDerWaalsContact O-CB 3.31Å; Q345-R349 WeakPolarHBondContact O-CB 3.36Å; Q345-R349 PolarHBondContact O-N 3.33Å; R347-R349 VanDerWaalsContact C-N 3.27Å; R347-R349 PolarHBondContact O-N 3.45Å; R349-L353 WeakPolarHBondContact O-CB 3.43Å; R349-L353 PolarHBondContact O-N 3Å; R349-L421 HydrophobicContact CG-CD1 4.3Å; R349-L421 HydrophobicContact CG-CD2 4.39Å
350	L	92.6	Very high	93.6	Very high	25 Å²	25	77.9 Å²	77.9	13%	0.131	40%	0.395	C	S	.	.	H	α-helix	trans	-67.3	-41.1	173.9	-174.9	64.9	0	0	0	111.4	T346 R347 E348 L353 K354 R418 L421 E422	T346-L350 PolarHBondContact O-N 2.97Å; T346-L350 VanDerWaalsContact O-N 3.09Å; R347-L350 WeakPolarHBondContact O-CB 3.44Å; R347-L350 PolarHBondContact O-N 3.15Å; R347-L350 VanDerWaalsContact O-N 3.09Å; E348-L350 VanDerWaalsContact C-N 3.34Å; E348-L350 PolarHBondContact O-N 3.48Å; L350-L353 PolarHBondContact O-N 3.42Å; L350-K354 PolarHBondContact O-N 2.94Å; L350-R418 HydrophobicContact CD1-CG 4.21Å; L350-L421 HydrophobicContact CD1-CB 3.97Å; L350-L421 HydrophobicContact CD1-CD1 4.37Å; L350-E422 WeakPolarHBondContact CD2-OE2 3.44Å
351	D	94.4	Very high	93.8	Very high	104 Å²	104	76.3 Å²	76.3	56%	0.556	39%	0.385	S	S	*	.	H	α-helix	trans	-66.8	-41	176.4	-70.8	-25.3	0	0	0	111.9	R347 E348 K354 S355	R347-D351 PolarHBondContact O-N 3.45Å; E348-D351 PolarHBondContact O-N 3.09Å; D351-K354 PolarHBondContact O-N 2.89Å; D351-S355 PolarHBondContact O-N 2.93Å
352	Q	95.2	Very high	94	Very high	123 Å²	123	78 Å²	78	58%	0.575	39%	0.388	S	S	*	.	H	α-helix	trans	-60.9	-43.7	172.8	-73.6	169.5	23	0	0	111.7	E348 K354 S355 A356	E348-Q352 WeakPolarHBondContact O-CB 3.39Å; E348-Q352 VanDerWaalsContact O-CG 3.25Å; E348-Q352 WeakPolarHBondContact O-CG 3.5Å; E348-Q352 PolarHBondContact O-N 3.23Å; Q352-K354 VanDerWaalsContact C-N 3.3Å; Q352-K354 PolarHBondContact O-N 3.43Å; Q352-S355 PolarHBondContact O-N 2.89Å; Q352-A356 WeakPolarHBondContact O-CB 3.3Å; Q352-A356 PolarHBondContact O-N 3.31Å
353	L	94.1	Very high	94.3	Very high	40 Å²	40	78.2 Å²	78.2	21%	0.209	40%	0.396	C	S	.	.	H	α-helix	trans	-59.4	-43.7	175.6	-179.1	73.3	0	0	0	111	R349 L350 A356 W357 Y414 V417 R418 L421	R349-L353 WeakPolarHBondContact O-CB 3.43Å; R349-L353 PolarHBondContact O-N 3Å; L350-L353 PolarHBondContact O-N 3.42Å; L353-A356 PolarHBondContact O-N 3.3Å; L353-W357 WeakPolarHBondContact O-CB 3.44Å; L353-W357 PolarHBondContact O-N 3.06Å; L353-Y414 HydrophobicContact CD2-CD2 4.26Å; L353-Y414 HydrophobicContact CD2-CE2 4.06Å; L353-Y414 HydrophobicContact CG-CD2 4.16Å; L353-Y414 HydrophobicContact CG-CE2 3.93Å; L353-V417 HydrophobicContact CD1-CG1 3.84Å; L353-V417 HydrophobicContact CD2-CB 4.28Å; L353-V417 HydrophobicContact CD2-CG1 3.76Å; L353-V417 HydrophobicContact CG-CG1 4.47Å; L353-R418 HydrophobicContact CD2-CB 4.16Å; L353-L421 HydrophobicContact CB-CD1 3.95Å; L353-L421 HydrophobicContact CD2-CD1 3.66Å; L353-L421 HydrophobicContact CG-CD1 4.32Å
354	K	94.5	Very high	94.3	Very high	116 Å²	116	80.4 Å²	80.4	50%	0.504	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-47.9	178.2	-174.1	-176.9	176	-171.5	0	111.5	L350 D351 Q352 A356 W357 D358	L350-K354 PolarHBondContact O-N 2.94Å; D351-K354 PolarHBondContact O-N 2.89Å; Q352-K354 VanDerWaalsContact C-N 3.3Å; Q352-K354 PolarHBondContact O-N 3.43Å; K354-A356 PolarHBondContact O-N 2.97Å; K354-W357 WeakPolarHBondContact O-CB 3.32Å; K354-W357 PolarHBondContact O-N 3.37Å; K354-D358 VanDerWaalsContact O-CG 3.31Å; K354-D358 PolarHBondContact O-N 3.05Å
355	S	95.9	Very high	94.4	Very high	74 Å²	74	79 Å²	79	52%	0.517	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-40.6	177.9	177.8	0	0	0	0	112.7	D351 Q352 D358 T359	D351-S355 PolarHBondContact O-N 2.93Å; Q352-S355 PolarHBondContact O-N 2.89Å; S355-D358 PolarHBondContact O-N 3.16Å; S355-T359 PolarHBondContact O-N 3.45Å; S355-T359 VanDerWaalsContact O-N 3.11Å; S355-T359 PolarHBondContact O-OG1 2.72Å
356	A	94.8	Very high	94.4	Very high	59 Å²	59	77.6 Å²	77.6	49%	0.488	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-40.9	175.6	0	0	0	0	0	111.8	Q352 L353 K354 T359 A360	Q352-A356 WeakPolarHBondContact O-CB 3.3Å; Q352-A356 PolarHBondContact O-N 3.31Å; L353-A356 PolarHBondContact O-N 3.3Å; K354-A356 PolarHBondContact O-N 2.97Å; A356-T359 PolarHBondContact O-N 3.35Å; A356-A360 WeakPolarHBondContact O-CB 3.5Å; A356-A360 PolarHBondContact O-N 2.81Å
357	W	95.1	Very high	94.6	Very high	33 Å²	33	79.9 Å²	79.9	13%	0.125	40%	0.403	C	S	.	.	H	α-helix	trans	-61.4	-49.1	174.2	166	-103.4	0	0	0	112.2	L353 K354 T359 A360 L361 M410 K411 Y414	L353-W357 WeakPolarHBondContact O-CB 3.44Å; L353-W357 PolarHBondContact O-N 3.06Å; K354-W357 WeakPolarHBondContact O-CB 3.32Å; K354-W357 PolarHBondContact O-N 3.37Å; W357-T359 PolarHBondContact O-N 3.14Å; W357-A360 PolarHBondContact O-N 2.85Å; W357-L361 HydrophobicContact CH2-CB 4.42Å; W357-L361 HydrophobicContact CH2-CD1 4.14Å; W357-L361 HydrophobicContact CZ2-CB 4.09Å; W357-L361 HydrophobicContact CZ2-CD1 3.91Å; W357-L361 HydrophobicContact CZ2-CD2 3.89Å; W357-L361 HydrophobicContact CZ2-CG 4.19Å; W357-L361 WeakPolarHBondContact O-CB 3.28Å; W357-L361 PolarHBondContact O-N 2.96Å; W357-M410 HydrophobicContact CE3-CE 4.08Å; W357-M410 HydrophobicContact CH2-CE 3.63Å; W357-M410 HydrophobicContact CZ3-CB 4.13Å; W357-M410 HydrophobicContact CZ3-CE 3.28Å; W357-M410 HydrophobicContact CZ3-CG 3.77Å; W357-M410 WeakPolarHBondContact CZ3-O 3.29Å; W357-M410 HydrophobicContact CZ3-SD 4.21Å; W357-K411 HydrophobicContact CH2-CB 4.1Å; W357-K411 HydrophobicContact CH2-CG 3.38Å; W357-K411 HydrophobicContact CZ2-CG 3.75Å; W357-K411 HydrophobicContact CZ3-CG 4.48Å; W357-Y414 HydrophobicContact CB-CD2 3.47Å; W357-Y414 VanDerWaalsContact CB-CD2 3.47Å; W357-Y414 HydrophobicContact CB-CE2 3.35Å; W357-Y414 HydrophobicContact CB-CG 4.15Å; W357-Y414 AromaticContact CD1-CE1 3.75Å; W357-Y414 AromaticContact CD1-CE2 3.99Å; W357-Y414 AromaticContact CD1-CZ 3.67Å; W357-Y414 AromaticContact CD2-CD1 3.78Å; W357-Y414 HydrophobicContact CD2-CD1 3.78Å; W357-Y414 AromaticContact CD2-CD2 3.84Å; W357-Y414 HydrophobicContact CD2-CD2 3.84Å; W357-Y414 HydrophobicContact CD2-CE1 4.22Å; W357-Y414 HydrophobicContact CD2-CE2 4.28Å; W357-Y414 AromaticContact CD2-CG 3.55Å; W357-Y414 HydrophobicContact CD2-CG 3.55Å; W357-Y414 AromaticContact CE2-CD1 3.94Å; W357-Y414 HydrophobicContact CE3-CD1 4.3Å; W357-Y414 HydrophobicContact CE3-CD2 4.1Å; W357-Y414 AromaticContact CE3-CG 3.72Å; W357-Y414 HydrophobicContact CE3-CG 3.72Å; W357-Y414 AromaticContact CG-CD1 3.92Å; W357-Y414 HydrophobicContact CG-CD1 3.92Å; W357-Y414 AromaticContact CG-CD2 3.54Å; W357-Y414 HydrophobicContact CG-CD2 3.54Å; W357-Y414 AromaticContact CG-CE1 3.9Å; W357-Y414 HydrophobicContact CG-CE1 3.9Å; W357-Y414 AromaticContact CG-CE2 3.53Å; W357-Y414 HydrophobicContact CG-CE2 3.53Å; W357-Y414 AromaticContact CG-CG 3.72Å; W357-Y414 HydrophobicContact CG-CG 3.72Å; W357-Y414 AromaticContact CG-CZ 3.7Å; W357-Y414 HydrophobicContact CZ3-CG 4.44Å; W357-Y414 AromaticContact NE1-CE1 3.94Å
358	D	95.6	Very high	94.7	Very high	80 Å²	80	74.8 Å²	74.8	43%	0.428	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-38.5	-179.6	-67.9	-24.8	0	0	0	111	K354 S355 K362	K354-D358 VanDerWaalsContact O-CG 3.31Å; K354-D358 PolarHBondContact O-N 3.05Å; S355-D358 PolarHBondContact O-N 3.16Å; D358-K362 WeakPolarHBondContact O-CB 3.22Å; D358-K362 PolarHBondContact O-N 2.83Å
359	T	95.3	Very high	94.7	Very high	95 Å²	95	73.9 Å²	73.9	58%	0.583	39%	0.385	S	S	*	.	H	α-helix	trans	-67.3	-46.9	176.1	-52.8	0	0	0	0	112	S355 A356 W357 K362 S363	S355-T359 PolarHBondContact O-N 3.45Å; S355-T359 VanDerWaalsContact O-N 3.11Å; S355-T359 PolarHBondContact O-OG1 2.72Å; A356-T359 PolarHBondContact O-N 3.35Å; W357-T359 PolarHBondContact O-N 3.14Å; T359-K362 PolarHBondContact O-N 2.97Å; T359-S363 WeakPolarHBondContact O-CB 2.97Å; T359-S363 PolarHBondContact O-N 3.1Å
360	A	95.4	Very high	94.8	Very high	38 Å²	38	70.6 Å²	70.6	31%	0.314	38%	0.382	S	S	.	.	H	α-helix	trans	-66.1	-39.8	179.1	0	0	0	0	0	112.2	A356 W357 S363 K364 M410	A356-A360 WeakPolarHBondContact O-CB 3.5Å; A356-A360 PolarHBondContact O-N 2.81Å; W357-A360 PolarHBondContact O-N 2.85Å; A360-S363 PolarHBondContact O-N 2.75Å; A360-K364 PolarHBondContact O-N 2.69Å; A360-M410 HydrophobicContact CB-CE 4.24Å; A360-M410 HydrophobicContact CB-SD 4.2Å
361	L	95.5	Very high	94.8	Very high	31 Å²	31	71.3 Å²	71.3	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-59.8	-52.4	175.3	176.8	61	0	0	0	110.4	W357 S363 K364 E365 L407 M410	W357-L361 HydrophobicContact CH2-CB 4.42Å; W357-L361 HydrophobicContact CH2-CD1 4.14Å; W357-L361 HydrophobicContact CZ2-CB 4.09Å; W357-L361 HydrophobicContact CZ2-CD1 3.91Å; W357-L361 HydrophobicContact CZ2-CD2 3.89Å; W357-L361 HydrophobicContact CZ2-CG 4.19Å; W357-L361 WeakPolarHBondContact O-CB 3.28Å; W357-L361 PolarHBondContact O-N 2.96Å; L361-S363 VanDerWaalsContact C-N 3.35Å; L361-S363 PolarHBondContact O-N 3.47Å; L361-K364 PolarHBondContact O-N 2.99Å; L361-E365 HydrophobicContact CD1-CG 4.19Å; L361-E365 WeakPolarHBondContact CD1-OE1 3.45Å; L361-E365 WeakPolarHBondContact O-CB 3.47Å; L361-E365 WeakPolarHBondContact O-CG 3.45Å; L361-E365 PolarHBondContact O-N 3.47Å; L361-L407 HydrophobicContact CD1-CD1 3.67Å; L361-M410 HydrophobicContact CB-CE 4.44Å
362	K	95.7	Very high	94.8	Very high	128 Å²	128	72.4 Å²	72.4	56%	0.557	38%	0.382	S	S	*	.	H	α-helix	trans	-59.5	-44.5	179.1	-175.9	172	176.6	176.9	0	112	D358 T359 K364 E365 E366	D358-K362 WeakPolarHBondContact O-CB 3.22Å; D358-K362 PolarHBondContact O-N 2.83Å; T359-K362 PolarHBondContact O-N 2.97Å; K362-K364 PolarHBondContact O-N 3.35Å; K362-E365 PolarHBondContact O-N 2.78Å; K362-E366 WeakPolarHBondContact CE-OE1 3.43Å; K362-E366 HydrophobicContact CG-CG 4.45Å; K362-E366 WeakPolarHBondContact CG-OE1 3.47Å; K362-E366 WeakPolarHBondContact O-CB 3.33Å; K362-E366 VanDerWaalsContact O-CG 3.3Å; K362-E366 WeakPolarHBondContact O-CG 3.45Å; K362-E366 PolarHBondContact O-N 3.04Å
363	S	96.1	Very high	94.7	Very high	69 Å²	69	72.4 Å²	72.4	48%	0.483	38%	0.382	S	S	.	.	H	α-helix	trans	-59.9	-43.3	177.2	176.1	0	0	0	0	112.6	T359 A360 L361 E366 E367	T359-S363 WeakPolarHBondContact O-CB 2.97Å; T359-S363 PolarHBondContact O-N 3.1Å; A360-S363 PolarHBondContact O-N 2.75Å; L361-S363 VanDerWaalsContact C-N 3.35Å; L361-S363 PolarHBondContact O-N 3.47Å; S363-E366 PolarHBondContact O-N 3.22Å; S363-E367 PolarHBondContact O-N 3.09Å
364	K	93.3	Very high	94.6	Very high	49 Å²	49	71.9 Å²	71.9	21%	0.213	39%	0.387	C	S	.	.	H	α-helix	trans	-70.2	-35.6	177.2	-78.7	-74.9	165.1	-162.9	0	112.9	A360 L361 K362 E367 I368 L403 L407 M410	A360-K364 PolarHBondContact O-N 2.69Å; L361-K364 PolarHBondContact O-N 2.99Å; K362-K364 PolarHBondContact O-N 3.35Å; K364-E367 WeakPolarHBondContact CD-OE2 3.1Å; K364-E367 WeakPolarHBondContact CE-OE2 3.28Å; K364-E367 IonicContact NZ-OE1 3.61Å; K364-E367 IonicContact NZ-OE2 3.9Å; K364-E367 PolarHBondContact NZ-OE2 3.47Å; K364-E367 PolarHBondContact O-N 3.45Å; K364-I368 WeakPolarHBondContact O-CG1 3.32Å; K364-I368 PolarHBondContact O-N 2.94Å; K364-L403 HydrophobicContact CD-CD2 4.4Å; K364-L407 HydrophobicContact CB-CD1 4.3Å; K364-M410 HydrophobicContact CG-CE 4.32Å; K364-M410 HydrophobicContact CG-SD 4.22Å
365	E	94.5	Very high	94.4	Very high	89 Å²	89	67 Å²	67	42%	0.416	37%	0.366	S	S	.	.	H	α-helix	trans	-66.3	-42.3	174.9	-74.1	177	166	0	0	111.5	L361 K362 E367 I368 T369	L361-E365 HydrophobicContact CD1-CG 4.19Å; L361-E365 WeakPolarHBondContact CD1-OE1 3.45Å; L361-E365 WeakPolarHBondContact O-CB 3.47Å; L361-E365 WeakPolarHBondContact O-CG 3.45Å; L361-E365 PolarHBondContact O-N 3.47Å; K362-E365 PolarHBondContact O-N 2.78Å; E365-E367 VanDerWaalsContact C-N 3.35Å; E365-E367 PolarHBondContact O-N 2.83Å; E365-I368 PolarHBondContact O-N 3.47Å; E365-T369 VanDerWaalsContact O-CG2 3.3Å; E365-T369 WeakPolarHBondContact O-CG2 3.33Å; E365-T369 PolarHBondContact O-N 3.43Å; E365-T369 PolarHBondContact O-OG1 3.11Å
366	E	95	Very high	94	Very high	97 Å²	97	68.1 Å²	68.1	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-38.6	174.4	-73.3	171	179.3	0	0	112.5	K362 S363 T369 T370	K362-E366 WeakPolarHBondContact CE-OE1 3.43Å; K362-E366 HydrophobicContact CG-CG 4.45Å; K362-E366 WeakPolarHBondContact CG-OE1 3.47Å; K362-E366 WeakPolarHBondContact O-CB 3.33Å; K362-E366 VanDerWaalsContact O-CG 3.3Å; K362-E366 WeakPolarHBondContact O-CG 3.45Å; K362-E366 PolarHBondContact O-N 3.04Å; S363-E366 PolarHBondContact O-N 3.22Å; E366-T369 WeakPolarHBondContact CA-OG1 3.45Å; E366-T369 PolarHBondContact O-N 2.94Å; E366-T369 PolarHBondContact O-OG1 2.8Å; E366-T370 WeakPolarHBondContact O-CB 3.49Å; E366-T370 PolarHBondContact O-N 2.98Å; E366-T370 PolarHBondContact O-OG1 3.25Å
367	E	95.2	Very high	93.7	Very high	71 Å²	71	70.9 Å²	70.9	33%	0.332	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-46.3	173.8	-169.9	179.9	-173	0	0	111.3	S363 K364 E365 T370 L371 L403	S363-E367 PolarHBondContact O-N 3.09Å; K364-E367 WeakPolarHBondContact CD-OE2 3.1Å; K364-E367 WeakPolarHBondContact CE-OE2 3.28Å; K364-E367 IonicContact NZ-OE1 3.61Å; K364-E367 IonicContact NZ-OE2 3.9Å; K364-E367 PolarHBondContact NZ-OE2 3.47Å; K364-E367 PolarHBondContact O-N 3.45Å; E365-E367 VanDerWaalsContact C-N 3.35Å; E365-E367 PolarHBondContact O-N 2.83Å; E367-T370 PolarHBondContact O-N 3.48Å; E367-L371 PolarHBondContact O-N 3.36Å; E367-L371 VanDerWaalsContact O-N 3.08Å; E367-L403 HydrophobicContact CG-CD1 3.83Å
368	I	93.8	Very high	93.3	Very high	9 Å²	9	71.9 Å²	71.9	5%	0.046	38%	0.376	C	S	.	.	H	α-helix	trans	-64.8	-41.4	177.8	-70.1	169.1	0	0	0	111.5	K364 E365 R372 L403 Q404 L407	K364-I368 WeakPolarHBondContact O-CG1 3.32Å; K364-I368 PolarHBondContact O-N 2.94Å; E365-I368 PolarHBondContact O-N 3.47Å; I368-R372 HydrophobicContact CG2-CG 4.37Å; I368-R372 WeakPolarHBondContact O-CB 3.34Å; I368-R372 WeakPolarHBondContact O-CG 3.32Å; I368-R372 PolarHBondContact O-N 3.37Å; I368-L403 HydrophobicContact CD1-CB 4.13Å; I368-L403 HydrophobicContact CG1-CB 3.78Å; I368-L403 HydrophobicContact CG1-CD1 4.11Å; I368-Q404 HydrophobicContact CD1-CG 4.32Å; I368-L407 HydrophobicContact CD1-CD2 4.03Å
369	T	94.5	Very high	92.8	Very high	63 Å²	63	73.3 Å²	73.3	39%	0.387	38%	0.378	S	S	.	.	H	α-helix	trans	-66.6	-40.6	179.1	55.9	0	0	0	0	111.3	E365 E366 R372 Q373	E365-T369 VanDerWaalsContact O-CG2 3.3Å; E365-T369 WeakPolarHBondContact O-CG2 3.33Å; E365-T369 PolarHBondContact O-N 3.43Å; E365-T369 PolarHBondContact O-OG1 3.11Å; E366-T369 WeakPolarHBondContact CA-OG1 3.45Å; E366-T369 PolarHBondContact O-N 2.94Å; E366-T369 PolarHBondContact O-OG1 2.8Å; T369-R372 PolarHBondContact O-N 3.36Å; T369-Q373 WeakPolarHBondContact O-CG 3.36Å; T369-Q373 PolarHBondContact O-N 2.94Å
370	T	94.9	Very high	92.2	Very high	89 Å²	89	75.6 Å²	75.6	55%	0.546	38%	0.38	S	S	.	.	H	α-helix	trans	-61	-47.3	176.7	-56.6	0	0	0	0	111.3	E366 E367 R372 Q373 G374	E366-T370 WeakPolarHBondContact O-CB 3.49Å; E366-T370 PolarHBondContact O-N 2.98Å; E366-T370 PolarHBondContact O-OG1 3.25Å; E367-T370 PolarHBondContact O-N 3.48Å; T370-R372 VanDerWaalsContact C-N 3.34Å; T370-R372 PolarHBondContact O-N 2.79Å; T370-Q373 PolarHBondContact O-N 3.26Å; T370-G374 PolarHBondContact O-N 3.29Å
371	L	92.9	Very high	91.5	Very high	40 Å²	40	78 Å²	78	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-65.6	-36.3	176.8	-71.8	171.4	0	0	0	112.6	E367 G374 L375 E399 I400 L403	E367-L371 PolarHBondContact O-N 3.36Å; E367-L371 VanDerWaalsContact O-N 3.08Å; L371-G374 PolarHBondContact O-N 3.23Å; L371-L375 WeakPolarHBondContact O-CB 3.45Å; L371-L375 PolarHBondContact O-N 3.12Å; L371-E399 HydrophobicContact CD1-CG 3.9Å; L371-I400 HydrophobicContact CB-CD1 4.07Å; L371-I400 HydrophobicContact CB-CG1 3.66Å; L371-I400 HydrophobicContact CD1-CG1 4.36Å; L371-L403 HydrophobicContact CD1-CD1 3.34Å
372	R	93.9	Very high	90.5	Very high	128 Å²	128	79 Å²	79	48%	0.483	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-43.3	174.8	-77.9	174.2	178.5	-177.4	1.1	112	I368 T369 T370 L375 E376 I400	I368-R372 HydrophobicContact CG2-CG 4.37Å; I368-R372 WeakPolarHBondContact O-CB 3.34Å; I368-R372 WeakPolarHBondContact O-CG 3.32Å; I368-R372 PolarHBondContact O-N 3.37Å; T369-R372 PolarHBondContact O-N 3.36Å; T370-R372 VanDerWaalsContact C-N 3.34Å; T370-R372 PolarHBondContact O-N 2.79Å; R372-L375 PolarHBondContact O-N 2.92Å; R372-E376 PolarHBondContact O-N 3.2Å; R372-I400 HydrophobicContact CG-CD1 3.94Å; R372-I400 HydrophobicContact CG-CG2 4.49Å
373	Q	93.6	Very high	89.2	Confident	122 Å²	122	80.6 Å²	80.6	57%	0.57	41%	0.411	S	S	*	.	H	α-helix	trans	-63	-43.9	175.1	-71.1	172.6	5.2	0	0	111.2	T369 T370 L375 E376 L377	T369-Q373 WeakPolarHBondContact O-CG 3.36Å; T369-Q373 PolarHBondContact O-N 2.94Å; T370-Q373 PolarHBondContact O-N 3.26Å; Q373-L375 PolarHBondContact O-N 3.29Å; Q373-E376 PolarHBondContact O-N 2.78Å; Q373-L377 WeakPolarHBondContact O-CG 3.37Å; Q373-L377 PolarHBondContact O-N 3.2Å
374	G	91.4	Very high	87.8	Confident	30 Å²	30	82.8 Å²	82.8	31%	0.309	42%	0.417	S	S	.	.	H	α-helix	trans	-59.9	-41.8	174.4	0	0	0	0	0	113.2	T370 L371 L377 M378	T370-G374 PolarHBondContact O-N 3.29Å; L371-G374 PolarHBondContact O-N 3.23Å; G374-L377 PolarHBondContact O-N 3.48Å; G374-M378 PolarHBondContact O-N 3.47Å; G374-M378 VanDerWaalsContact O-N 3.15Å
375	L	89.4	Confident	86.5	Confident	13 Å²	13	88.6 Å²	88.6	7%	0.068	45%	0.448	C	S	.	.	H	α-helix	trans	-64.7	-38.7	175	-179	64.2	0	0	0	112.3	L371 R372 Q373 M378 K379 E393 A396 Q397 I400	L371-L375 WeakPolarHBondContact O-CB 3.45Å; L371-L375 PolarHBondContact O-N 3.12Å; R372-L375 PolarHBondContact O-N 2.92Å; Q373-L375 PolarHBondContact O-N 3.29Å; L375-M378 HydrophobicContact CD1-CE 4.14Å; L375-M378 PolarHBondContact O-N 2.88Å; L375-K379 HydrophobicContact CG-CD 4.43Å; L375-K379 WeakPolarHBondContact O-CG 3.42Å; L375-K379 PolarHBondContact O-N 3.47Å; L375-E393 HydrophobicContact CD1-CB 3.9Å; L375-E393 HydrophobicContact CD1-CG 4.21Å; L375-A396 HydrophobicContact CD1-CB 4.3Å; L375-Q397 HydrophobicContact CD2-CB 4.33Å; L375-I400 HydrophobicContact CB-CD1 4.33Å; L375-I400 HydrophobicContact CD2-CD1 3.93Å
376	E	88.9	Confident	85	Confident	98 Å²	98	92.2 Å²	92.2	46%	0.458	47%	0.471	S	S	.	.	H	α-helix	trans	-65.4	-39.2	177.2	-165.3	-173.2	153.7	0	0	112	R372 Q373 K379 K380	R372-E376 PolarHBondContact O-N 3.2Å; Q373-E376 PolarHBondContact O-N 2.78Å; E376-K379 PolarHBondContact O-N 3.04Å; E376-K380 WeakPolarHBondContact O-CG 3.22Å; E376-K380 PolarHBondContact O-N 2.96Å; E376-K380 WeakPolarHBondContact OE1-CE 3.41Å; E376-K380 IonicContact OE1-NZ 3.26Å; E376-K380 PolarHBondContact OE1-NZ 3.15Å
377	L	88	Confident	83.8	Confident	117 Å²	117	90.1 Å²	90.1	61%	0.613	47%	0.467	S	S	*	.	H	α-helix	trans	-63.4	-42.9	174.4	-69.5	173.6	0	0	0	112	Q373 G374 K379 K380 S381	Q373-L377 WeakPolarHBondContact O-CG 3.37Å; Q373-L377 PolarHBondContact O-N 3.2Å; G374-L377 PolarHBondContact O-N 3.48Å; L377-K379 VanDerWaalsContact C-N 3.33Å; L377-K379 PolarHBondContact O-N 2.66Å; L377-K380 PolarHBondContact O-N 2.79Å; L377-S381 PolarHBondContact O-N 3.34Å; L377-S381 PolarHBondContact O-OG 3.3Å
378	M	86.1	Confident	82.8	Confident	53 Å²	53	95.8 Å²	95.8	26%	0.261	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-43.4	175	-72.2	-172.4	-74.3	0	0	111.8	G374 L375 K380 S381 R382 K392 E393 A396	G374-M378 PolarHBondContact O-N 3.47Å; G374-M378 VanDerWaalsContact O-N 3.15Å; L375-M378 HydrophobicContact CD1-CE 4.14Å; L375-M378 PolarHBondContact O-N 2.88Å; M378-K380 VanDerWaalsContact C-N 3.31Å; M378-K380 PolarHBondContact O-N 3.34Å; M378-S381 PolarHBondContact O-N 2.97Å; M378-S381 PolarHBondContact O-OG 2.94Å; M378-R382 PolarHBondContact O-N 3.12Å; M378-K392 HydrophobicContact SD-CB 4.01Å; M378-E393 HydrophobicContact CB-CG 3.99Å; M378-A396 HydrophobicContact CE-CB 3.69Å
379	K	85	Confident	81.9	Confident	111 Å²	111	98.3 Å²	98.3	48%	0.483	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-34.7	175.8	-73.6	175.6	176.5	-176.2	0	113.1	L375 E376 L377 R382	L375-K379 HydrophobicContact CG-CD 4.43Å; L375-K379 WeakPolarHBondContact O-CG 3.42Å; L375-K379 PolarHBondContact O-N 3.47Å; E376-K379 PolarHBondContact O-N 3.04Å; L377-K379 VanDerWaalsContact C-N 3.33Å; L377-K379 PolarHBondContact O-N 2.66Å; K379-R382 WeakPolarHBondContact O-CB 3.46Å
380	K	83.3	Confident	81.3	Confident	143 Å²	143	98.9 Å²	98.9	62%	0.622	51%	0.511	S	S	*	.	H	α-helix	trans	-72.7	-30.6	176.5	-75	172.8	-177.6	167.6	0	112.8	E376 L377 M378 R382	E376-K380 WeakPolarHBondContact O-CG 3.22Å; E376-K380 PolarHBondContact O-N 2.96Å; E376-K380 WeakPolarHBondContact OE1-CE 3.41Å; E376-K380 IonicContact OE1-NZ 3.26Å; E376-K380 PolarHBondContact OE1-NZ 3.15Å; L377-K380 PolarHBondContact O-N 2.79Å; M378-K380 VanDerWaalsContact C-N 3.31Å; M378-K380 PolarHBondContact O-N 3.34Å; K380-R382 PolarHBondContact O-N 3.24Å
381	S	81.6	Confident	80.8	Confident	87 Å²	87	98.4 Å²	98.4	61%	0.608	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	2.7	176.9	63.1	0	0	0	0	114.6	L377 M378	L377-S381 PolarHBondContact O-N 3.34Å; L377-S381 PolarHBondContact O-OG 3.3Å; M378-S381 PolarHBondContact O-N 2.97Å; M378-S381 PolarHBondContact O-OG 2.94Å
382	R	74.5	Confident	80.5	Confident	53 Å²	53	104 Å²	104	20%	0.2	54%	0.538	C	S	.	.			trans	-85.9	110.7	-177.7	-179.4	-164.3	177.7	102.8	60	109.3	M378 K379 K380 D384 S387 K388 E393	M378-R382 PolarHBondContact O-N 3.12Å; K379-R382 WeakPolarHBondContact O-CB 3.46Å; K380-R382 PolarHBondContact O-N 3.24Å; R382-D384 VanDerWaalsContact C-N 3.35Å; R382-D384 PolarHBondContact NE-O 3.24Å; R382-D384 PolarHBondContact O-N 3.15Å; R382-S387 PolarHBondContact NE-OG 2.78Å; R382-S387 PolarHBondContact NH1-O 2.78Å; R382-S387 VanDerWaalsContact NH2-CB 3.31Å; R382-S387 PolarHBondContact NH2-O 3.23Å; R382-S387 PolarHBondContact NH2-OG 2.75Å; R382-K388 PolarHBondContact NH2-O 3.22Å; R382-E393 IonicContact NH1-OE2 2.68Å
383	D	66.6	Low	80.1	Confident	162 Å²	162	98.1 Å²	98.1	87%	0.866	52%	0.517	S	S	*	.	S	Bend	trans	-63.5	-34.6	-174.4	-64.9	-39	0	0	0	113.7
384	D	67.1	Low	79.8	Confident	114 Å²	114	96.3 Å²	96.3	61%	0.61	51%	0.51	S	S	*	.			trans	-110.9	115.9	-180	-70.4	-38.8	0	0	0	112.1	R382 D386 S387	R382-D384 VanDerWaalsContact C-N 3.35Å; R382-D384 PolarHBondContact NE-O 3.24Å; R382-D384 PolarHBondContact O-N 3.15Å; D384-D386 PolarHBondContact O-N 2.72Å; D384-S387 WeakPolarHBondContact CB-OG 3.26Å; D384-S387 PolarHBondContact O-N 3.29Å; D384-S387 PolarHBondContact O-OG 3.25Å
385	I	65.7	Low	79.8	Confident	171 Å²	171	97.6 Å²	97.6	88%	0.877	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.9	179.8	-63.5	174.1	0	0	0	112.3
386	D	64.4	Low	79.8	Confident	166 Å²	166	97.6 Å²	97.6	89%	0.888	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	1.7	-174.7	-157.1	33.2	0	0	0	114.2	D384	D384-D386 PolarHBondContact O-N 2.72Å
387	S	68.3	Low	80	Confident	53 Å²	53	98 Å²	98	37%	0.371	52%	0.522	S	S	.	.	S	Bend	trans	-74.4	161.7	178.1	49.8	0	0	0	0	111.5	R382 D384	R382-S387 PolarHBondContact NE-OG 2.78Å; R382-S387 PolarHBondContact NH1-O 2.78Å; R382-S387 VanDerWaalsContact NH2-CB 3.31Å; R382-S387 PolarHBondContact NH2-O 3.23Å; R382-S387 PolarHBondContact NH2-OG 2.75Å; D384-S387 WeakPolarHBondContact CB-OG 3.26Å; D384-S387 PolarHBondContact O-N 3.29Å; D384-S387 PolarHBondContact O-OG 3.25Å
388	K	74.8	Confident	80.2	Confident	189 Å²	189	96.5 Å²	96.5	82%	0.822	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-71.9	141.3	176.8	-69.6	173.5	-179.3	174.6	0	110.8	R382 T390	R382-K388 PolarHBondContact NH2-O 3.22Å; K388-T390 PolarHBondContact O-N 3.49Å
389	P	74.5	Confident	80.6	Confident	63 Å²	63	98.6 Å²	98.6	41%	0.409	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-51.1	136.4	-179.4	19.5	-30.4	0	0	0	112.4	E393 I394	P389-E393 WeakPolarHBondContact CA-OE2 3.47Å; P389-E393 HydrophobicContact CB-CB 4.39Å; P389-E393 WeakPolarHBondContact CB-OE2 3.36Å; P389-I394 HydrophobicContact CB-CG1 4.01Å; P389-I394 HydrophobicContact CG-CD1 4.26Å; P389-I394 HydrophobicContact CG-CG1 4.09Å
390	T	81.8	Confident	81	Confident	75 Å²	75	93.8 Å²	93.8	46%	0.46	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-64.2	144.7	-178.9	-64.7	0	0	0	0	108.8	K388 K392 E393 I394	K388-T390 PolarHBondContact O-N 3.49Å; T390-K392 HydrophobicContact CG2-CB 4.25Å; T390-K392 HydrophobicContact CG2-CG 4.5Å; T390-K392 PolarHBondContact O-N 3.27Å; T390-E393 PolarHBondContact N-OE2 2.86Å; T390-E393 WeakPolarHBondContact O-CA 3.44Å; T390-E393 WeakPolarHBondContact O-CB 3.46Å; T390-E393 PolarHBondContact O-N 3.39Å; T390-I394 PolarHBondContact O-N 2.86Å
391	A	85.9	Confident	81.6	Confident	79 Å²	79	95.4 Å²	95.4	65%	0.653	51%	0.508	S	S	*	.	H	α-helix	trans	-51	-33.8	-179.7	0	0	0	0	0	113.4	I394 A395	A391-I394 PolarHBondContact O-N 3.29Å; A391-A395 WeakPolarHBondContact O-CB 3.34Å; A391-A395 PolarHBondContact O-N 2.88Å
392	K	85.6	Confident	82.3	Confident	156 Å²	156	95.7 Å²	95.7	68%	0.678	50%	0.5	S	S	*	.	H	α-helix	trans	-64.5	-39.7	172.9	-64.5	-175.5	178.9	179.8	0	113.4	M378 T390 A395 A396	M378-K392 HydrophobicContact SD-CB 4.01Å; T390-K392 HydrophobicContact CG2-CB 4.25Å; T390-K392 HydrophobicContact CG2-CG 4.5Å; T390-K392 PolarHBondContact O-N 3.27Å; K392-A395 PolarHBondContact O-N 3.46Å; K392-A396 WeakPolarHBondContact O-CB 3.47Å; K392-A396 PolarHBondContact O-N 3Å
393	E	86	Confident	83.2	Confident	6 Å²	6	93.6 Å²	93.6	3%	0.028	49%	0.493	C	S	.	.	H	α-helix	trans	-67.2	-41.9	175.6	-62.9	176.1	153.3	0	0	111	L375 M378 R382 P389 T390 A395 A396 Q397	L375-E393 HydrophobicContact CD1-CB 3.9Å; L375-E393 HydrophobicContact CD1-CG 4.21Å; M378-E393 HydrophobicContact CB-CG 3.99Å; R382-E393 IonicContact NH1-OE2 2.68Å; P389-E393 WeakPolarHBondContact CA-OE2 3.47Å; P389-E393 HydrophobicContact CB-CB 4.39Å; P389-E393 WeakPolarHBondContact CB-OE2 3.36Å; T390-E393 PolarHBondContact N-OE2 2.86Å; T390-E393 WeakPolarHBondContact O-CA 3.44Å; T390-E393 WeakPolarHBondContact O-CB 3.46Å; T390-E393 PolarHBondContact O-N 3.39Å; E393-A395 VanDerWaalsContact C-N 3.31Å; E393-A395 PolarHBondContact O-N 3.46Å; E393-A396 PolarHBondContact O-N 2.91Å; E393-Q397 WeakPolarHBondContact O-CB 3.47Å; E393-Q397 PolarHBondContact O-N 3.47Å
394	I	87.6	Confident	84.6	Confident	83 Å²	83	89.5 Å²	89.5	43%	0.426	47%	0.468	S	S	.	.	H	α-helix	trans	-61.5	-43.5	176.2	-59.9	174.9	0	0	0	109.8	P389 T390 A391 T398	P389-I394 HydrophobicContact CB-CG1 4.01Å; P389-I394 HydrophobicContact CG-CD1 4.26Å; P389-I394 HydrophobicContact CG-CG1 4.09Å; T390-I394 PolarHBondContact O-N 2.86Å; A391-I394 PolarHBondContact O-N 3.29Å; I394-T398 WeakPolarHBondContact O-CB 3.23Å; I394-T398 PolarHBondContact O-N 3.06Å; I394-T398 PolarHBondContact O-OG1 3.32Å
395	A	90.2	Very high	85.9	Confident	58 Å²	58	87.3 Å²	87.3	48%	0.479	46%	0.456	S	S	.	.	H	α-helix	trans	-61.3	-51.6	175.9	0	0	0	0	0	111.9	A391 K392 E393 Q397 T398 E399	A391-A395 WeakPolarHBondContact O-CB 3.34Å; A391-A395 PolarHBondContact O-N 2.88Å; K392-A395 PolarHBondContact O-N 3.46Å; E393-A395 VanDerWaalsContact C-N 3.31Å; E393-A395 PolarHBondContact O-N 3.46Å; A395-Q397 VanDerWaalsContact C-N 3.34Å; A395-Q397 PolarHBondContact O-N 3.49Å; A395-T398 WeakPolarHBondContact O-CB 3.47Å; A395-T398 PolarHBondContact O-N 2.94Å; A395-T398 VanDerWaalsContact O-N 3.15Å; A395-E399 PolarHBondContact O-N 3.38Å
396	A	90.5	Very high	87.3	Confident	12 Å²	12	82.8 Å²	82.8	10%	0.099	43%	0.431	C	S	.	.	H	α-helix	trans	-62.8	-38.6	178.9	0	0	0	0	0	112.7	L375 M378 K392 E393 T398 E399 I400	L375-A396 HydrophobicContact CD1-CB 4.3Å; M378-A396 HydrophobicContact CE-CB 3.69Å; K392-A396 WeakPolarHBondContact O-CB 3.47Å; K392-A396 PolarHBondContact O-N 3Å; E393-A396 PolarHBondContact O-N 2.91Å; A396-T398 VanDerWaalsContact C-N 3.34Å; A396-E399 PolarHBondContact O-N 3.12Å; A396-I400 VanDerWaalsContact O-CG1 3.32Å; A396-I400 WeakPolarHBondContact O-CG1 3.38Å; A396-I400 PolarHBondContact O-N 3.22Å
397	Q	92	Very high	88.8	Confident	108 Å²	108	75.7 Å²	75.7	51%	0.505	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-38.1	175.2	-173.8	169.6	15	0	0	111.8	L375 E393 A395 I400 R401	L375-Q397 HydrophobicContact CD2-CB 4.33Å; E393-Q397 WeakPolarHBondContact O-CB 3.47Å; E393-Q397 PolarHBondContact O-N 3.47Å; A395-Q397 VanDerWaalsContact C-N 3.34Å; A395-Q397 PolarHBondContact O-N 3.49Å; Q397-I400 PolarHBondContact O-N 3.1Å; Q397-R401 WeakPolarHBondContact O-CB 3.36Å; Q397-R401 PolarHBondContact O-N 2.94Å
398	T	93.5	Very high	90	Very high	85 Å²	85	77.6 Å²	77.6	52%	0.521	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-40.9	175.1	-56.5	0	0	0	0	110.9	I394 A395 A396 R401 Q402	I394-T398 WeakPolarHBondContact O-CB 3.23Å; I394-T398 PolarHBondContact O-N 3.06Å; I394-T398 PolarHBondContact O-OG1 3.32Å; A395-T398 WeakPolarHBondContact O-CB 3.47Å; A395-T398 PolarHBondContact O-N 2.94Å; A395-T398 VanDerWaalsContact O-N 3.15Å; A396-T398 VanDerWaalsContact C-N 3.34Å; T398-R401 WeakPolarHBondContact O-CB 3.46Å; T398-R401 PolarHBondContact O-N 3.29Å; T398-Q402 WeakPolarHBondContact O-CB 3.33Å; T398-Q402 PolarHBondContact O-N 3.45Å
399	E	93.9	Very high	91	Very high	96 Å²	96	74 Å²	74	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-46.1	175.4	-171	174.9	-169.5	0	0	112.1	L371 A395 A396 R401 Q402 L403	L371-E399 HydrophobicContact CD1-CG 3.9Å; A395-E399 PolarHBondContact O-N 3.38Å; A396-E399 PolarHBondContact O-N 3.12Å; E399-R401 VanDerWaalsContact C-N 3.3Å; E399-R401 PolarHBondContact O-N 3.03Å; E399-Q402 WeakPolarHBondContact O-CB 3.42Å; E399-Q402 PolarHBondContact O-N 3.02Å; E399-Q402 VanDerWaalsContact O-N 3.13Å; E399-L403 WeakPolarHBondContact O-CG 3.44Å; E399-L403 PolarHBondContact O-N 2.82Å
400	I	93.6	Very high	92	Very high	11 Å²	11	73.2 Å²	73.2	6%	0.056	38%	0.38	C	S	.	.	H	α-helix	trans	-58.4	-43.1	173.9	-69.8	164.4	0	0	0	111	L371 R372 L375 A396 Q397 Q402 L403 Q404	L371-I400 HydrophobicContact CB-CD1 4.07Å; L371-I400 HydrophobicContact CB-CG1 3.66Å; L371-I400 HydrophobicContact CD1-CG1 4.36Å; R372-I400 HydrophobicContact CG-CD1 3.94Å; R372-I400 HydrophobicContact CG-CG2 4.49Å; L375-I400 HydrophobicContact CB-CD1 4.33Å; L375-I400 HydrophobicContact CD2-CD1 3.93Å; A396-I400 VanDerWaalsContact O-CG1 3.32Å; A396-I400 WeakPolarHBondContact O-CG1 3.38Å; A396-I400 PolarHBondContact O-N 3.22Å; Q397-I400 PolarHBondContact O-N 3.1Å; I400-Q402 VanDerWaalsContact C-N 3.33Å; I400-L403 PolarHBondContact O-N 3.29Å; I400-Q404 VanDerWaalsContact CG2-NE2 3.34Å; I400-Q404 VanDerWaalsContact O-CG 3.29Å; I400-Q404 WeakPolarHBondContact O-CG 3.48Å; I400-Q404 PolarHBondContact O-N 3.22Å
401	R	95.3	Very high	92.6	Very high	176 Å²	176	74.1 Å²	74.1	66%	0.664	38%	0.377	S	S	*	.	H	α-helix	trans	-63.4	-41.4	177.3	-173.5	-179.2	-179.4	-145.6	-0.2	111.1	Q397 T398 E399 Q404 I405	Q397-R401 WeakPolarHBondContact O-CB 3.36Å; Q397-R401 PolarHBondContact O-N 2.94Å; T398-R401 WeakPolarHBondContact O-CB 3.46Å; T398-R401 PolarHBondContact O-N 3.29Å; E399-R401 VanDerWaalsContact C-N 3.3Å; E399-R401 PolarHBondContact O-N 3.03Å; R401-Q404 PolarHBondContact O-N 3.24Å; R401-I405 HydrophobicContact CG-CD1 4.41Å; R401-I405 WeakPolarHBondContact O-CG1 3.29Å; R401-I405 PolarHBondContact O-N 2.88Å
402	Q	95.6	Very high	93.1	Very high	94 Å²	94	76.6 Å²	76.6	44%	0.439	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-44.8	177.1	-173.9	59	33.7	0	0	111.7	T398 E399 I400 Q404 I405 Q406	T398-Q402 WeakPolarHBondContact O-CB 3.33Å; T398-Q402 PolarHBondContact O-N 3.45Å; E399-Q402 WeakPolarHBondContact O-CB 3.42Å; E399-Q402 PolarHBondContact O-N 3.02Å; E399-Q402 VanDerWaalsContact O-N 3.13Å; I400-Q402 VanDerWaalsContact C-N 3.33Å; Q402-Q404 VanDerWaalsContact C-N 3.3Å; Q402-Q404 PolarHBondContact O-N 3.45Å; Q402-I405 PolarHBondContact O-N 3.26Å; Q402-Q406 WeakPolarHBondContact O-CG 3.46Å; Q402-Q406 PolarHBondContact O-N 2.9Å
403	L	94	Very high	93.5	Very high	9 Å²	9	72.7 Å²	72.7	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-34.6	175.9	-71.3	174.4	0	0	0	112.5	K364 E367 I368 L371 E399 I400 Q406 L407	K364-L403 HydrophobicContact CD-CD2 4.4Å; E367-L403 HydrophobicContact CG-CD1 3.83Å; I368-L403 HydrophobicContact CD1-CB 4.13Å; I368-L403 HydrophobicContact CG1-CB 3.78Å; I368-L403 HydrophobicContact CG1-CD1 4.11Å; L371-L403 HydrophobicContact CD1-CD1 3.34Å; E399-L403 WeakPolarHBondContact O-CG 3.44Å; E399-L403 PolarHBondContact O-N 2.82Å; I400-L403 PolarHBondContact O-N 3.29Å; L403-Q406 PolarHBondContact O-N 3.33Å; L403-L407 VanDerWaalsContact O-CB 3.29Å; L403-L407 WeakPolarHBondContact O-CB 3.33Å; L403-L407 PolarHBondContact O-N 3.24Å
404	Q	95.4	Very high	93.9	Very high	75 Å²	75	74 Å²	74	35%	0.35	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-39.1	174.1	-74.1	171.4	10.7	0	0	112.5	I368 I400 R401 Q402 L407 T408	I368-Q404 HydrophobicContact CD1-CG 4.32Å; I400-Q404 VanDerWaalsContact CG2-NE2 3.34Å; I400-Q404 VanDerWaalsContact O-CG 3.29Å; I400-Q404 WeakPolarHBondContact O-CG 3.48Å; I400-Q404 PolarHBondContact O-N 3.22Å; R401-Q404 PolarHBondContact O-N 3.24Å; Q402-Q404 VanDerWaalsContact C-N 3.3Å; Q402-Q404 PolarHBondContact O-N 3.45Å; Q404-L407 PolarHBondContact O-N 3.21Å; Q404-T408 PolarHBondContact O-N 3.45Å; Q404-T408 VanDerWaalsContact O-N 3.08Å; Q404-T408 PolarHBondContact O-OG1 2.9Å
405	I	95.5	Very high	94.3	Very high	69 Å²	69	73.5 Å²	73.5	35%	0.354	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-50	173.2	-66.9	165.8	0	0	0	109.6	R401 Q402 L407 T408 E409	R401-I405 HydrophobicContact CG-CD1 4.41Å; R401-I405 WeakPolarHBondContact O-CG1 3.29Å; R401-I405 PolarHBondContact O-N 2.88Å; Q402-I405 PolarHBondContact O-N 3.26Å; I405-L407 VanDerWaalsContact C-N 3.3Å; I405-L407 PolarHBondContact O-N 3.41Å; I405-T408 WeakPolarHBondContact O-CA 3.43Å; I405-T408 WeakPolarHBondContact O-CB 3.01Å; I405-T408 PolarHBondContact O-N 3.46Å; I405-E409 PolarHBondContact O-N 2.86Å
406	Q	95.1	Very high	94.6	Very high	75 Å²	75	77.1 Å²	77.1	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-57.5	-41.3	176.5	-73.3	-177.2	-8.4	0	0	112.5	Q402 L403 T408 E409 M410	Q402-Q406 WeakPolarHBondContact O-CG 3.46Å; Q402-Q406 PolarHBondContact O-N 2.9Å; L403-Q406 PolarHBondContact O-N 3.33Å; Q406-T408 VanDerWaalsContact C-N 3.28Å; Q406-T408 PolarHBondContact O-N 3.28Å; Q406-E409 PolarHBondContact O-N 3.48Å; Q406-M410 WeakPolarHBondContact O-CB 3.4Å; Q406-M410 PolarHBondContact O-N 2.74Å
407	L	94.8	Very high	94.9	Very high	18 Å²	18	78.7 Å²	78.7	9%	0.094	38%	0.38	C	S	.	.	H	α-helix	trans	-63.1	-37.1	177.1	180	59.6	0	0	0	111.6	L361 K364 I368 L403 Q404 I405 M410 K411	L361-L407 HydrophobicContact CD1-CD1 3.67Å; K364-L407 HydrophobicContact CB-CD1 4.3Å; I368-L407 HydrophobicContact CD1-CD2 4.03Å; L403-L407 VanDerWaalsContact O-CB 3.29Å; L403-L407 WeakPolarHBondContact O-CB 3.33Å; L403-L407 PolarHBondContact O-N 3.24Å; Q404-L407 PolarHBondContact O-N 3.21Å; I405-L407 VanDerWaalsContact C-N 3.3Å; I405-L407 PolarHBondContact O-N 3.41Å; L407-M410 HydrophobicContact CD1-CE 3.8Å; L407-M410 PolarHBondContact O-N 2.93Å; L407-K411 VanDerWaalsContact O-CG 3.3Å; L407-K411 WeakPolarHBondContact O-CG 3.39Å; L407-K411 PolarHBondContact O-N 2.87Å
408	T	94.9	Very high	95	Very high	92 Å²	92	80.1 Å²	80.1	56%	0.564	38%	0.381	S	S	*	.	H	α-helix	trans	-66.4	-46.4	176.5	-55	0	0	0	0	110.8	Q404 I405 Q406 M410 K411 E412	Q404-T408 PolarHBondContact O-N 3.45Å; Q404-T408 VanDerWaalsContact O-N 3.08Å; Q404-T408 PolarHBondContact O-OG1 2.9Å; I405-T408 WeakPolarHBondContact O-CA 3.43Å; I405-T408 WeakPolarHBondContact O-CB 3.01Å; I405-T408 PolarHBondContact O-N 3.46Å; Q406-T408 VanDerWaalsContact C-N 3.28Å; Q406-T408 PolarHBondContact O-N 3.28Å; T408-M410 VanDerWaalsContact C-N 3.32Å; T408-M410 PolarHBondContact O-N 2.71Å; T408-K411 WeakPolarHBondContact O-CB 3.28Å; T408-K411 PolarHBondContact O-N 2.68Å; T408-E412 PolarHBondContact O-N 3.35Å
409	E	95.3	Very high	95.2	Very high	113 Å²	113	82.4 Å²	82.4	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-60.7	-40.7	174.1	-68.5	173.5	-177.6	0	0	111.9	I405 Q406 K411 E412 N413	I405-E409 PolarHBondContact O-N 2.86Å; Q406-E409 PolarHBondContact O-N 3.48Å; E409-K411 VanDerWaalsContact C-N 3.34Å; E409-K411 PolarHBondContact O-N 3.11Å; E409-E412 PolarHBondContact O-N 3.39Å; E409-N413 WeakPolarHBondContact O-CB 3.45Å; E409-N413 PolarHBondContact O-N 2.99Å
410	M	94.6	Very high	95.2	Very high	47 Å²	47	81.5 Å²	81.5	23%	0.232	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-41.2	177.7	-154.4	-175.5	67.7	0	0	111.3	W357 A360 L361 K364 Q406 L407 T408 N413 Y414	W357-M410 HydrophobicContact CE3-CE 4.08Å; W357-M410 HydrophobicContact CH2-CE 3.63Å; W357-M410 HydrophobicContact CZ3-CB 4.13Å; W357-M410 HydrophobicContact CZ3-CE 3.28Å; W357-M410 HydrophobicContact CZ3-CG 3.77Å; W357-M410 WeakPolarHBondContact CZ3-O 3.29Å; W357-M410 HydrophobicContact CZ3-SD 4.21Å; A360-M410 HydrophobicContact CB-CE 4.24Å; A360-M410 HydrophobicContact CB-SD 4.2Å; L361-M410 HydrophobicContact CB-CE 4.44Å; K364-M410 HydrophobicContact CG-CE 4.32Å; K364-M410 HydrophobicContact CG-SD 4.22Å; Q406-M410 WeakPolarHBondContact O-CB 3.4Å; Q406-M410 PolarHBondContact O-N 2.74Å; L407-M410 HydrophobicContact CD1-CE 3.8Å; L407-M410 PolarHBondContact O-N 2.93Å; T408-M410 VanDerWaalsContact C-N 3.32Å; T408-M410 PolarHBondContact O-N 2.71Å; M410-N413 PolarHBondContact O-N 3.45Å; M410-Y414 WeakPolarHBondContact O-CB 3.41Å; M410-Y414 PolarHBondContact O-N 3.13Å
411	K	95.6	Very high	95.2	Very high	94 Å²	94	82 Å²	82	41%	0.409	38%	0.378	S	S	.	.	H	α-helix	trans	-63.4	-43.3	175.4	-74.7	175.2	-179.4	-179.3	0	112.1	W357 L407 T408 E409 S415	W357-K411 HydrophobicContact CH2-CB 4.1Å; W357-K411 HydrophobicContact CH2-CG 3.38Å; W357-K411 HydrophobicContact CZ2-CG 3.75Å; W357-K411 HydrophobicContact CZ3-CG 4.48Å; L407-K411 VanDerWaalsContact O-CG 3.3Å; L407-K411 WeakPolarHBondContact O-CG 3.39Å; L407-K411 PolarHBondContact O-N 2.87Å; T408-K411 WeakPolarHBondContact O-CB 3.28Å; T408-K411 PolarHBondContact O-N 2.68Å; E409-K411 VanDerWaalsContact C-N 3.34Å; E409-K411 PolarHBondContact O-N 3.11Å; K411-S415 WeakPolarHBondContact O-CB 3.28Å; K411-S415 PolarHBondContact O-N 3.42Å; K411-S415 PolarHBondContact O-OG 2.97Å
412	E	95.7	Very high	95.2	Very high	132 Å²	132	75.8 Å²	75.8	62%	0.617	36%	0.357	S	S	*	.	H	α-helix	trans	-64.8	-46.3	176.9	-173.7	-179.1	175.9	0	0	111	T408 E409 Y414 S415 R416	T408-E412 PolarHBondContact O-N 3.35Å; E409-E412 PolarHBondContact O-N 3.39Å; E412-Y414 PolarHBondContact O-N 3.12Å; E412-S415 WeakPolarHBondContact O-CB 3.37Å; E412-S415 PolarHBondContact O-N 3.37Å; E412-S415 VanDerWaalsContact O-N 3.14Å; E412-R416 PolarHBondContact O-N 2.99Å
413	N	94.4	Very high	95.2	Very high	74 Å²	74	76 Å²	76	40%	0.396	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-45.1	178	-171.5	38.9	0	0	0	111.7	E409 M410 S415 R416 V417	E409-N413 WeakPolarHBondContact O-CB 3.45Å; E409-N413 PolarHBondContact O-N 2.99Å; M410-N413 PolarHBondContact O-N 3.45Å; N413-S415 VanDerWaalsContact C-N 3.33Å; N413-S415 PolarHBondContact O-N 3.39Å; N413-R416 PolarHBondContact O-N 3.36Å; N413-R416 PolarHBondContact OD1-NH2 2.92Å; N413-V417 WeakPolarHBondContact O-CG2 3.48Å; N413-V417 PolarHBondContact O-N 3.29Å
414	Y	94.9	Very high	95.1	Very high	33 Å²	33	81.7 Å²	81.7	13%	0.129	38%	0.379	C	S	.	.	H	α-helix	trans	-58.2	-45.2	173.7	170.7	-107.9	0	0	0	111.9	L353 W357 M410 E412 R416 V417 R418	L353-Y414 HydrophobicContact CD2-CD2 4.26Å; L353-Y414 HydrophobicContact CD2-CE2 4.06Å; L353-Y414 HydrophobicContact CG-CD2 4.16Å; L353-Y414 HydrophobicContact CG-CE2 3.93Å; W357-Y414 HydrophobicContact CB-CD2 3.47Å; W357-Y414 VanDerWaalsContact CB-CD2 3.47Å; W357-Y414 HydrophobicContact CB-CE2 3.35Å; W357-Y414 HydrophobicContact CB-CG 4.15Å; W357-Y414 AromaticContact CD1-CE1 3.75Å; W357-Y414 AromaticContact CD1-CE2 3.99Å; W357-Y414 AromaticContact CD1-CZ 3.67Å; W357-Y414 AromaticContact CD2-CD1 3.78Å; W357-Y414 HydrophobicContact CD2-CD1 3.78Å; W357-Y414 AromaticContact CD2-CD2 3.84Å; W357-Y414 HydrophobicContact CD2-CD2 3.84Å; W357-Y414 HydrophobicContact CD2-CE1 4.22Å; W357-Y414 HydrophobicContact CD2-CE2 4.28Å; W357-Y414 AromaticContact CD2-CG 3.55Å; W357-Y414 HydrophobicContact CD2-CG 3.55Å; W357-Y414 AromaticContact CE2-CD1 3.94Å; W357-Y414 HydrophobicContact CE3-CD1 4.3Å; W357-Y414 HydrophobicContact CE3-CD2 4.1Å; W357-Y414 AromaticContact CE3-CG 3.72Å; W357-Y414 HydrophobicContact CE3-CG 3.72Å; W357-Y414 AromaticContact CG-CD1 3.92Å; W357-Y414 HydrophobicContact CG-CD1 3.92Å; W357-Y414 AromaticContact CG-CD2 3.54Å; W357-Y414 HydrophobicContact CG-CD2 3.54Å; W357-Y414 AromaticContact CG-CE1 3.9Å; W357-Y414 HydrophobicContact CG-CE1 3.9Å; W357-Y414 AromaticContact CG-CE2 3.53Å; W357-Y414 HydrophobicContact CG-CE2 3.53Å; W357-Y414 AromaticContact CG-CG 3.72Å; W357-Y414 HydrophobicContact CG-CG 3.72Å; W357-Y414 AromaticContact CG-CZ 3.7Å; W357-Y414 HydrophobicContact CZ3-CG 4.44Å; W357-Y414 AromaticContact NE1-CE1 3.94Å; M410-Y414 WeakPolarHBondContact O-CB 3.41Å; M410-Y414 PolarHBondContact O-N 3.13Å; E412-Y414 PolarHBondContact O-N 3.12Å; Y414-R416 VanDerWaalsContact C-N 3.31Å; Y414-R416 PolarHBondContact O-N 2.89Å; Y414-V417 PolarHBondContact O-N 2.87Å; Y414-R418 WeakPolarHBondContact O-CB 3.45Å; Y414-R418 PolarHBondContact O-N 3.29Å
415	S	95.9	Very high	95	Very high	72 Å²	72	81.3 Å²	81.3	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-41.1	178.8	-58.9	0	0	0	0	111.8	K411 E412 N413 R419	K411-S415 WeakPolarHBondContact O-CB 3.28Å; K411-S415 PolarHBondContact O-N 3.42Å; K411-S415 PolarHBondContact O-OG 2.97Å; E412-S415 WeakPolarHBondContact O-CB 3.37Å; E412-S415 PolarHBondContact O-N 3.37Å; E412-S415 VanDerWaalsContact O-N 3.14Å; N413-S415 VanDerWaalsContact C-N 3.33Å; N413-S415 PolarHBondContact O-N 3.39Å; S415-R419 WeakPolarHBondContact O-CB 3.35Å; S415-R419 PolarHBondContact O-N 2.91Å
416	R	97.1	Very high	94.9	Very high	135 Å²	135	84.1 Å²	84.1	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-63.1	-51.9	175.2	179.7	173.7	61.8	-158.3	-0.6	112.1	E412 N413 Y414 R418 R419 E420	E412-R416 PolarHBondContact O-N 2.99Å; N413-R416 PolarHBondContact O-N 3.36Å; N413-R416 PolarHBondContact OD1-NH2 2.92Å; Y414-R416 VanDerWaalsContact C-N 3.31Å; Y414-R416 PolarHBondContact O-N 2.89Å; R416-R418 VanDerWaalsContact C-N 3.34Å; R416-R418 PolarHBondContact O-N 3.49Å; R416-R419 PolarHBondContact O-N 3.11Å; R416-E420 PolarHBondContact O-N 3.09Å
417	V	94.8	Very high	94.9	Very high	44 Å²	44	82.5 Å²	82.5	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-39.2	-179.2	178.8	0	0	0	0	111.1	L353 N413 Y414 E420 L421	L353-V417 HydrophobicContact CD1-CG1 3.84Å; L353-V417 HydrophobicContact CD2-CB 4.28Å; L353-V417 HydrophobicContact CD2-CG1 3.76Å; L353-V417 HydrophobicContact CG-CG1 4.47Å; N413-V417 WeakPolarHBondContact O-CG2 3.48Å; N413-V417 PolarHBondContact O-N 3.29Å; Y414-V417 PolarHBondContact O-N 2.87Å; V417-E420 PolarHBondContact O-N 2.92Å; V417-L421 HydrophobicContact CG1-CG 4.49Å; V417-L421 PolarHBondContact O-N 3.42Å
418	R	95.3	Very high	94.8	Very high	139 Å²	139	81.7 Å²	81.7	53%	0.525	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-45.5	175.9	-178.3	-177	173.4	-158.4	-1.7	111.6	L350 L353 Y414 R416 E420 L421 E422	L350-R418 HydrophobicContact CD1-CG 4.21Å; L353-R418 HydrophobicContact CD2-CB 4.16Å; Y414-R418 WeakPolarHBondContact O-CB 3.45Å; Y414-R418 PolarHBondContact O-N 3.29Å; R416-R418 VanDerWaalsContact C-N 3.34Å; R416-R418 PolarHBondContact O-N 3.49Å; R418-E420 VanDerWaalsContact C-N 3.34Å; R418-L421 PolarHBondContact O-N 2.97Å; R418-E422 WeakPolarHBondContact O-CB 3.36Å; R418-E422 PolarHBondContact O-N 3.37Å
419	R	96.4	Very high	94.6	Very high	133 Å²	133	78.6 Å²	78.6	50%	0.502	36%	0.359	S	S	.	.	H	α-helix	trans	-60	-45.7	175.9	-177.7	-173.3	57.3	70.8	4	111	S415 R416 E422 E423	S415-R419 WeakPolarHBondContact O-CB 3.35Å; S415-R419 PolarHBondContact O-N 2.91Å; R416-R419 PolarHBondContact O-N 3.11Å; R419-E422 PolarHBondContact O-N 2.85Å; R419-E423 IonicContact CZ-OE1 3.19Å; R419-E423 VanDerWaalsContact NH1-CD 3.27Å; R419-E423 IonicContact NH1-OE1 3.23Å; R419-E423 PolarHBondContact NH1-OE1 3.47Å; R419-E423 IonicContact NH1-OE2 3.94Å; R419-E423 PolarHBondContact NH1-OE2 3.19Å; R419-E423 VanDerWaalsContact NH1-OE2 3.14Å; R419-E423 WeakPolarHBondContact O-CG 3.29Å; R419-E423 PolarHBondContact O-N 3.04Å
420	E	95.1	Very high	94.5	Very high	77 Å²	77	75.9 Å²	75.9	36%	0.36	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-41	178.8	175	177.7	-176.6	0	0	112.8	R416 V417 R418 R424	R416-E420 PolarHBondContact O-N 3.09Å; V417-E420 PolarHBondContact O-N 2.92Å; R418-E420 VanDerWaalsContact C-N 3.34Å; E420-R424 VanDerWaalsContact CD-NH1 3.26Å; E420-R424 PolarHBondContact O-N 3.01Å; E420-R424 VanDerWaalsContact O-N 3.08Å; E420-R424 IonicContact OE1-CZ 3.44Å; E420-R424 IonicContact OE1-NH1 2.63Å; E420-R424 PolarHBondContact OE1-NH1 3.47Å; E420-R424 IonicContact OE1-NH2 3.22Å; E420-R424 PolarHBondContact OE1-NH2 3.46Å
421	L	94.1	Very high	94.3	Very high	20 Å²	20	77.8 Å²	77.8	11%	0.105	36%	0.361	C	S	.	.	H	α-helix	trans	-68.9	-37.8	174.6	-74.1	-172.4	0	0	0	112.3	R349 L350 L353 V417 R418 E423 R424 R425	R349-L421 HydrophobicContact CG-CD1 4.3Å; R349-L421 HydrophobicContact CG-CD2 4.39Å; L350-L421 HydrophobicContact CD1-CB 3.97Å; L350-L421 HydrophobicContact CD1-CD1 4.37Å; L353-L421 HydrophobicContact CB-CD1 3.95Å; L353-L421 HydrophobicContact CD2-CD1 3.66Å; L353-L421 HydrophobicContact CG-CD1 4.32Å; V417-L421 HydrophobicContact CG1-CG 4.49Å; V417-L421 PolarHBondContact O-N 3.42Å; R418-L421 PolarHBondContact O-N 2.97Å; L421-E423 VanDerWaalsContact C-N 3.35Å; L421-R424 PolarHBondContact O-N 3.27Å; L421-R425 PolarHBondContact O-N 2.91Å
422	E	94.3	Very high	94.1	Very high	46 Å²	46	75.4 Å²	75.4	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-63.9	-40.4	175.7	-174.3	66.3	-156.3	0	0	111.4	L350 R418 R419 R425 K426	L350-E422 WeakPolarHBondContact CD2-OE2 3.44Å; R418-E422 WeakPolarHBondContact O-CB 3.36Å; R418-E422 PolarHBondContact O-N 3.37Å; R419-E422 PolarHBondContact O-N 2.85Å; E422-R425 WeakPolarHBondContact O-CB 3.32Å; E422-R425 PolarHBondContact O-N 3.28Å; E422-R425 IonicContact OE1-CZ 2.67Å; E422-R425 IonicContact OE1-NE 2.62Å; E422-R425 IonicContact OE1-NH1 3.07Å; E422-R425 PolarHBondContact OE1-NH1 3.34Å; E422-R425 IonicContact OE1-NH2 3.87Å; E422-R425 PolarHBondContact OE1-NH2 3.46Å; E422-R425 IonicContact OE2-CZ 3.03Å; E422-R425 IonicContact OE2-NH1 3.92Å; E422-R425 PolarHBondContact OE2-NH1 2.84Å; E422-K426 WeakPolarHBondContact O-CG 3.21Å; E422-K426 PolarHBondContact O-N 2.92Å
423	E	95.4	Very high	93.9	Very high	98 Å²	98	73.7 Å²	73.7	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-43.9	172.7	-77.3	167	-166.5	0	0	111.7	R419 L421 R425 K426 A427	R419-E423 IonicContact CZ-OE1 3.19Å; R419-E423 VanDerWaalsContact NH1-CD 3.27Å; R419-E423 IonicContact NH1-OE1 3.23Å; R419-E423 PolarHBondContact NH1-OE1 3.47Å; R419-E423 IonicContact NH1-OE2 3.94Å; R419-E423 PolarHBondContact NH1-OE2 3.19Å; R419-E423 VanDerWaalsContact NH1-OE2 3.14Å; R419-E423 WeakPolarHBondContact O-CG 3.29Å; R419-E423 PolarHBondContact O-N 3.04Å; L421-E423 VanDerWaalsContact C-N 3.35Å; E423-R425 VanDerWaalsContact C-N 3.34Å; E423-R425 PolarHBondContact O-N 3.08Å; E423-K426 PolarHBondContact O-N 3.01Å; E423-A427 WeakPolarHBondContact O-CB 3.4Å; E423-A427 PolarHBondContact O-N 3.03Å
424	R	92.9	Very high	93.9	Very high	130 Å²	130	72.5 Å²	72.5	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-62.1	-40	174.2	-80	-172.3	171.9	78.5	-8.8	112.7	E420 L421 A427 A428	E420-R424 VanDerWaalsContact CD-NH1 3.26Å; E420-R424 PolarHBondContact O-N 3.01Å; E420-R424 VanDerWaalsContact O-N 3.08Å; E420-R424 IonicContact OE1-CZ 3.44Å; E420-R424 IonicContact OE1-NH1 2.63Å; E420-R424 PolarHBondContact OE1-NH1 3.47Å; E420-R424 IonicContact OE1-NH2 3.22Å; E420-R424 PolarHBondContact OE1-NH2 3.46Å; L421-R424 PolarHBondContact O-N 3.27Å; R424-A427 PolarHBondContact O-N 3Å; R424-A428 WeakPolarHBondContact O-CB 3.43Å; R424-A428 PolarHBondContact O-N 3.18Å
425	R	93.1	Very high	93.8	Very high	67 Å²	67	71.3 Å²	71.3	25%	0.253	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-50.9	175.2	-169.2	-170.6	101.2	-146	-9.1	110.8	R347 L421 E422 E423 A427 A428 D429	R347-R425 HydrophobicContact CG-CG 4.16Å; L421-R425 PolarHBondContact O-N 2.91Å; E422-R425 WeakPolarHBondContact O-CB 3.32Å; E422-R425 PolarHBondContact O-N 3.28Å; E422-R425 IonicContact OE1-CZ 2.67Å; E422-R425 IonicContact OE1-NE 2.62Å; E422-R425 IonicContact OE1-NH1 3.07Å; E422-R425 PolarHBondContact OE1-NH1 3.34Å; E422-R425 IonicContact OE1-NH2 3.87Å; E422-R425 PolarHBondContact OE1-NH2 3.46Å; E422-R425 IonicContact OE2-CZ 3.03Å; E422-R425 IonicContact OE2-NH1 3.92Å; E422-R425 PolarHBondContact OE2-NH1 2.84Å; E423-R425 VanDerWaalsContact C-N 3.34Å; E423-R425 PolarHBondContact O-N 3.08Å; R425-A427 VanDerWaalsContact C-N 3.29Å; R425-A427 PolarHBondContact O-N 2.86Å; R425-A428 WeakPolarHBondContact O-CB 3.33Å; R425-A428 PolarHBondContact O-N 3.33Å; R425-A428 VanDerWaalsContact O-N 3.1Å; R425-D429 IonicContact NE-OD2 2.72Å; R425-D429 PolarHBondContact O-N 2.65Å
426	K	93.7	Very high	93.7	Very high	127 Å²	127	69.2 Å²	69.2	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-58.3	-41.3	176.7	-73.5	176.9	-179.8	-179.8	0	112.1	E422 E423 D429 A430	E422-K426 WeakPolarHBondContact O-CG 3.21Å; E422-K426 PolarHBondContact O-N 2.92Å; E423-K426 PolarHBondContact O-N 3.01Å; K426-D429 PolarHBondContact O-N 3.23Å; K426-A430 WeakPolarHBondContact O-CB 3.04Å; K426-A430 PolarHBondContact O-N 3.5Å
427	A	94.1	Very high	93.6	Very high	42 Å²	42	67.4 Å²	67.4	35%	0.347	33%	0.334	S	S	.	.	H	α-helix	trans	-65.9	-37.2	176.7	0	0	0	0	0	112.2	E423 R424 R425 R431	E423-A427 WeakPolarHBondContact O-CB 3.4Å; E423-A427 PolarHBondContact O-N 3.03Å; R424-A427 PolarHBondContact O-N 3Å; R425-A427 VanDerWaalsContact C-N 3.29Å; R425-A427 PolarHBondContact O-N 2.86Å; A427-R431 VanDerWaalsContact C-NH1 3.34Å; A427-R431 WeakPolarHBondContact O-CG 3.49Å; A427-R431 PolarHBondContact O-N 3.19Å; A427-R431 VanDerWaalsContact O-N 3.08Å; A427-R431 PolarHBondContact O-NH1 2.84Å; A427-R431 VanDerWaalsContact O-NH1 3.11Å
428	A	92.3	Very high	93.5	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.7	-44.3	175	0	0	0	0	0	112	A343 T346 R424 R425 A430 R431 M432	A343-A428 HydrophobicContact CB-CB 4.32Å; T346-A428 HydrophobicContact CG2-CB 4.29Å; R424-A428 WeakPolarHBondContact O-CB 3.43Å; R424-A428 PolarHBondContact O-N 3.18Å; R425-A428 WeakPolarHBondContact O-CB 3.33Å; R425-A428 PolarHBondContact O-N 3.33Å; R425-A428 VanDerWaalsContact O-N 3.1Å; A428-A430 VanDerWaalsContact C-N 3.34Å; A428-A430 PolarHBondContact O-N 3.38Å; A428-R431 PolarHBondContact O-N 2.87Å; A428-M432 PolarHBondContact O-N 3.41Å
429	D	91.6	Very high	93.5	Very high	27 Å²	27	63.7 Å²	63.7	14%	0.144	32%	0.32	C	S	.	.	H	α-helix	trans	-60	-44	174.5	-70.3	-34.2	0	0	0	110.3	R347 R425 K426 R431 M432 D433	R347-D429 IonicContact CZ-OD1 3.24Å; R347-D429 IonicContact NE-OD1 3.68Å; R347-D429 IonicContact NH2-OD1 3.87Å; R347-D429 PolarHBondContact NH2-OD1 2.93Å; R347-D429 IonicContact NH2-OD2 3.97Å; R425-D429 IonicContact NE-OD2 2.72Å; R425-D429 PolarHBondContact O-N 2.65Å; K426-D429 PolarHBondContact O-N 3.23Å; D429-R431 PolarHBondContact O-N 3.47Å; D429-M432 WeakPolarHBondContact O-CB 3.49Å; D429-M432 PolarHBondContact O-N 2.85Å; D429-D433 PolarHBondContact O-N 3.28Å
430	A	94.2	Very high	93.3	Very high	57 Å²	57	63.7 Å²	63.7	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-36.3	176.6	0	0	0	0	0	113.6	K426 A428 D433 A434	K426-A430 WeakPolarHBondContact O-CB 3.04Å; K426-A430 PolarHBondContact O-N 3.5Å; A428-A430 VanDerWaalsContact C-N 3.34Å; A428-A430 PolarHBondContact O-N 3.38Å; A430-D433 PolarHBondContact O-N 2.87Å; A430-A434 WeakPolarHBondContact O-CB 3.45Å; A430-A434 PolarHBondContact O-N 3.02Å
431	R	89.5	Confident	93.2	Very high	87 Å²	87	64.1 Å²	64.1	33%	0.328	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-41.3	173.4	-76.1	-172.5	-63.9	-83.2	8	111.8	W339 E342 A427 A428 D429 A434 V435	W339-R431 HydrophobicContact CD2-CB 4.2Å; W339-R431 HydrophobicContact CE3-CB 4.25Å; W339-R431 VanDerWaalsContact CZ3-CD 3.49Å; E342-R431 IonicContact OE1-CZ 3.9Å; E342-R431 IonicContact OE1-NE 3.82Å; E342-R431 IonicContact OE1-NH2 2.84Å; E342-R431 PolarHBondContact OE1-NH2 2.91Å; A427-R431 VanDerWaalsContact C-NH1 3.34Å; A427-R431 WeakPolarHBondContact O-CG 3.49Å; A427-R431 PolarHBondContact O-N 3.19Å; A427-R431 VanDerWaalsContact O-N 3.08Å; A427-R431 PolarHBondContact O-NH1 2.84Å; A427-R431 VanDerWaalsContact O-NH1 3.11Å; A428-R431 PolarHBondContact O-N 2.87Å; D429-R431 PolarHBondContact O-N 3.47Å; R431-A434 PolarHBondContact O-N 3.49Å; R431-V435 WeakPolarHBondContact O-CG2 3.41Å; R431-V435 PolarHBondContact O-N 3.19Å; R431-V435 VanDerWaalsContact O-N 3.15Å
432	M	90.5	Very high	93	Very high	43 Å²	43	64 Å²	64	21%	0.212	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-44.4	176.1	-179.5	-171.3	63.8	0	0	111.2	L336 W339 A428 D429 V435 G436	L336-M432 HydrophobicContact CD1-CG 3.8Å; W339-M432 HydrophobicContact CB-CB 4.37Å; A428-M432 PolarHBondContact O-N 3.41Å; D429-M432 WeakPolarHBondContact O-CB 3.49Å; D429-M432 PolarHBondContact O-N 2.85Å; M432-V435 PolarHBondContact O-N 3.44Å; M432-G436 PolarHBondContact O-N 2.66Å
433	D	92.3	Very high	92.8	Very high	96 Å²	96	69 Å²	69	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-44.5	178.2	-69.8	-18.4	0	0	0	111.5	D429 A430 V435 G436 D437	D429-D433 PolarHBondContact O-N 3.28Å; A430-D433 PolarHBondContact O-N 2.87Å; D433-V435 PolarHBondContact O-N 2.89Å; D433-G436 CarbonylContact O-C 3.59Å; D433-G436 WeakPolarHBondContact O-CA 3.35Å; D433-G436 PolarHBondContact O-N 3.42Å; D433-D437 PolarHBondContact O-N 3.17Å
434	A	94.2	Very high	92.5	Very high	50 Å²	50	72 Å²	72	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-44.3	177.1	0	0	0	0	0	112.8	A430 R431 G436 D437 E438	A430-A434 WeakPolarHBondContact O-CB 3.45Å; A430-A434 PolarHBondContact O-N 3.02Å; R431-A434 PolarHBondContact O-N 3.49Å; A434-G436 VanDerWaalsContact C-N 3.33Å; A434-D437 PolarHBondContact O-N 3.43Å; A434-E438 PolarHBondContact O-N 3.01Å
435	V	93.7	Very high	92.1	Very high	8 Å²	8	72 Å²	72	5%	0.048	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-37.7	174.9	172.9	0	0	0	0	111.1	L332 E335 L336 R431 M432 D433 D437 E438 I439	L332-V435 HydrophobicContact CD2-CG1 4.19Å; E335-V435 HydrophobicContact CG-CG1 4.45Å; E335-V435 HydrophobicContact CG-CG2 4.19Å; L336-V435 HydrophobicContact CB-CG1 3.94Å; L336-V435 HydrophobicContact CD1-CB 4.45Å; L336-V435 HydrophobicContact CD1-CG1 4.21Å; R431-V435 WeakPolarHBondContact O-CG2 3.41Å; R431-V435 PolarHBondContact O-N 3.19Å; R431-V435 VanDerWaalsContact O-N 3.15Å; M432-V435 PolarHBondContact O-N 3.44Å; D433-V435 PolarHBondContact O-N 2.89Å; V435-D437 VanDerWaalsContact C-N 3.33Å; V435-D437 PolarHBondContact O-N 3.34Å; V435-E438 PolarHBondContact O-N 2.82Å; V435-I439 HydrophobicContact CG1-CD1 4.16Å; V435-I439 VanDerWaalsContact O-CG1 3.32Å; V435-I439 WeakPolarHBondContact O-CG1 3.42Å; V435-I439 PolarHBondContact O-N 2.93Å
436	G	94	Very high	91.6	Very high	27 Å²	27	69.9 Å²	69.9	28%	0.278	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-42.7	174	0	0	0	0	0	112.8	M432 D433 A434 I439 K440	M432-G436 PolarHBondContact O-N 2.66Å; D433-G436 CarbonylContact O-C 3.59Å; D433-G436 WeakPolarHBondContact O-CA 3.35Å; D433-G436 PolarHBondContact O-N 3.42Å; A434-G436 VanDerWaalsContact C-N 3.33Å; G436-I439 PolarHBondContact O-N 3.46Å; G436-K440 PolarHBondContact O-N 3.46Å
437	D	93.2	Very high	91	Very high	98 Å²	98	67.4 Å²	67.4	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-67.7	-42.1	176.8	-74	-24.6	0	0	0	111.9	D433 A434 V435 I439 K440 D441	D433-D437 PolarHBondContact O-N 3.17Å; A434-D437 PolarHBondContact O-N 3.43Å; V435-D437 VanDerWaalsContact C-N 3.33Å; V435-D437 PolarHBondContact O-N 3.34Å; D437-I439 VanDerWaalsContact C-N 3.32Å; D437-I439 PolarHBondContact O-N 2.96Å; D437-K440 WeakPolarHBondContact O-CB 3.35Å; D437-K440 PolarHBondContact O-N 3.35Å; D437-K440 VanDerWaalsContact O-N 3.11Å; D437-D441 PolarHBondContact O-N 3.27Å
438	E	94.1	Very high	89.9	Confident	91 Å²	91	70.4 Å²	70.4	43%	0.425	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-43.1	173.1	-78.3	-172.3	-131.2	0	0	112.4	R328 L332 A434 V435 K440 D441 L442	R328-E438 IonicContact NH2-OE2 2.61Å; R328-E438 PolarHBondContact NH2-OE2 3.07Å; R328-E438 VanDerWaalsContact NH2-OE2 3.09Å; L332-E438 HydrophobicContact CD1-CB 4.1Å; L332-E438 HydrophobicContact CD2-CB 4.29Å; A434-E438 PolarHBondContact O-N 3.01Å; V435-E438 PolarHBondContact O-N 2.82Å; E438-K440 VanDerWaalsContact C-N 3.33Å; E438-K440 PolarHBondContact O-N 3.47Å; E438-D441 PolarHBondContact O-N 3.36Å; E438-L442 WeakPolarHBondContact O-CB 2.92Å; E438-L442 PolarHBondContact O-N 3.1Å
439	I	94.3	Very high	88.6	Confident	14 Å²	14	71.3 Å²	71.3	7%	0.072	36%	0.362	C	S	.	.	H	α-helix	trans	-61.8	-43.1	176.1	-72.1	170.5	0	0	0	110.5	M329 L332 E333 L336 V435 G436 D437 R443	M329-I439 HydrophobicContact CE-CG2 3.74Å; M329-I439 HydrophobicContact SD-CG2 4.46Å; L332-I439 HydrophobicContact CB-CD1 4.03Å; L332-I439 HydrophobicContact CB-CG1 3.58Å; L332-I439 HydrophobicContact CD1-CG1 4.15Å; L332-I439 HydrophobicContact CG-CG1 4.42Å; E333-I439 HydrophobicContact CG-CD1 4.37Å; L336-I439 HydrophobicContact CB-CD1 4.13Å; L336-I439 HydrophobicContact CD2-CD1 3.93Å; V435-I439 HydrophobicContact CG1-CD1 4.16Å; V435-I439 VanDerWaalsContact O-CG1 3.32Å; V435-I439 WeakPolarHBondContact O-CG1 3.42Å; V435-I439 PolarHBondContact O-N 2.93Å; G436-I439 PolarHBondContact O-N 3.46Å; D437-I439 VanDerWaalsContact C-N 3.32Å; D437-I439 PolarHBondContact O-N 2.96Å; I439-R443 WeakPolarHBondContact O-CB 3.4Å; I439-R443 PolarHBondContact O-N 2.78Å
440	K	93.1	Very high	87.2	Confident	132 Å²	132	75.8 Å²	75.8	57%	0.574	38%	0.382	S	S	*	.	H	α-helix	trans	-64.7	-43.1	-179.5	-165.8	180	-173.7	-179.4	0	111.2	G436 D437 E438 R443 R444	G436-K440 PolarHBondContact O-N 3.46Å; D437-K440 WeakPolarHBondContact O-CB 3.35Å; D437-K440 PolarHBondContact O-N 3.35Å; D437-K440 VanDerWaalsContact O-N 3.11Å; E438-K440 VanDerWaalsContact C-N 3.33Å; E438-K440 PolarHBondContact O-N 3.47Å; K440-R443 PolarHBondContact O-N 2.99Å; K440-R444 PolarHBondContact O-N 3.49Å
441	D	92	Very high	85.4	Confident	87 Å²	87	77 Å²	77	47%	0.465	39%	0.392	S	S	.	.	H	α-helix	trans	-66.7	-44.3	177.5	-82.6	-1.5	0	0	0	112.4	D437 E438 R443 R444 K445	D437-D441 PolarHBondContact O-N 3.27Å; E438-D441 PolarHBondContact O-N 3.36Å; D441-R443 VanDerWaalsContact C-N 3.32Å; D441-R443 PolarHBondContact O-N 2.89Å; D441-R444 WeakPolarHBondContact O-CB 3.43Å; D441-R444 PolarHBondContact O-N 3.11Å; D441-K445 WeakPolarHBondContact O-CG 3.45Å; D441-K445 PolarHBondContact O-N 3.36Å
442	L	89.8	Confident	84	Confident	17 Å²	17	78 Å²	78	9%	0.089	41%	0.408	C	S	.	.	H	α-helix	trans	-66.8	-36.8	177.8	-173.6	56.7	0	0	0	111.4	H325 R328 M329 L332 E438 R444 K445 M446	H325-L442 HydrophobicContact CB-CD1 4.07Å; R328-L442 HydrophobicContact CB-CD2 3.93Å; R328-L442 HydrophobicContact CG-CD2 3.64Å; M329-L442 HydrophobicContact CB-CD2 4.42Å; M329-L442 HydrophobicContact CG-CB 4.49Å; M329-L442 HydrophobicContact CG-CD2 3.54Å; M329-L442 HydrophobicContact CG-CG 3.76Å; M329-L442 HydrophobicContact SD-CB 3.6Å; M329-L442 VanDerWaalsContact SD-CB 3.6Å; M329-L442 HydrophobicContact SD-CD2 3.57Å; M329-L442 VanDerWaalsContact SD-CD2 3.57Å; M329-L442 HydrophobicContact SD-CG 3.54Å; M329-L442 VanDerWaalsContact SD-CG 3.54Å; L332-L442 HydrophobicContact CD1-CD2 4.1Å; E438-L442 WeakPolarHBondContact O-CB 2.92Å; E438-L442 PolarHBondContact O-N 3.1Å; L442-R444 VanDerWaalsContact C-N 3.33Å; L442-R444 PolarHBondContact O-N 3.06Å; L442-K445 PolarHBondContact O-N 3.41Å; L442-M446 WeakPolarHBondContact O-CB 3.39Å; L442-M446 VanDerWaalsContact O-CG 3.23Å; L442-M446 WeakPolarHBondContact O-CG 3.43Å; L442-M446 PolarHBondContact O-N 3.04Å
443	R	90.7	Very high	82.4	Confident	150 Å²	150	78.5 Å²	78.5	57%	0.566	41%	0.412	S	S	*	.	H	α-helix	trans	-62.2	-39.1	172.1	-174.7	177.2	-68.8	178.8	-0.3	112	M329 I439 K440 D441 M446 S447	M329-R443 HydrophobicContact CE-CB 4.31Å; I439-R443 WeakPolarHBondContact O-CB 3.4Å; I439-R443 PolarHBondContact O-N 2.78Å; K440-R443 PolarHBondContact O-N 2.99Å; D441-R443 VanDerWaalsContact C-N 3.32Å; D441-R443 PolarHBondContact O-N 2.89Å; R443-M446 PolarHBondContact O-N 3.43Å; R443-S447 PolarHBondContact O-N 2.91Å
444	R	88.4	Confident	81	Confident	161 Å²	161	81.8 Å²	81.8	61%	0.608	42%	0.421	S	S	*	.	H	α-helix	trans	-62.2	-50.6	174.9	-168.3	-175.3	-63.7	-130.5	4.4	110.9	K440 D441 L442 M446 S447 D448	K440-R444 PolarHBondContact O-N 3.49Å; D441-R444 WeakPolarHBondContact O-CB 3.43Å; D441-R444 PolarHBondContact O-N 3.11Å; L442-R444 VanDerWaalsContact C-N 3.33Å; L442-R444 PolarHBondContact O-N 3.06Å; R444-M446 VanDerWaalsContact C-N 3.27Å; R444-M446 PolarHBondContact O-N 3.38Å; R444-S447 WeakPolarHBondContact O-CB 3.44Å; R444-S447 PolarHBondContact O-N 2.63Å; R444-S447 VanDerWaalsContact O-N 3.08Å; R444-D448 PolarHBondContact O-N 2.89Å
445	K	85.6	Confident	79.6	Confident	130 Å²	130	86.8 Å²	86.8	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-56	-39.9	176.6	-69.1	170.4	-177.4	171	0	112.4	D441 L442 V449	D441-K445 WeakPolarHBondContact O-CG 3.45Å; D441-K445 PolarHBondContact O-N 3.36Å; L442-K445 PolarHBondContact O-N 3.41Å; K445-V449 WeakPolarHBondContact O-CG2 3.38Å
446	M	82.4	Confident	77.9	Confident	24 Å²	24	89.6 Å²	89.6	12%	0.118	45%	0.454	C	S	.	.	H	α-helix	trans	-70.2	-36.4	177.4	-72.5	-71.7	-78.5	0	0	113.3	N322 H325 A326 L442 R443 R444 V449 H450	N322-M446 WeakPolarHBondContact OD1-CE 3.44Å; N322-M446 PolarHBondContact OD1-SD 2.92Å; H325-M446 HydrophobicContact CB-CE 4.15Å; H325-M446 HydrophobicContact CB-CG 4.04Å; H325-M446 HydrophobicContact CB-SD 3.22Å; H325-M446 WeakPolarHBondContact CB-SD 3.4Å; A326-M446 HydrophobicContact CB-CE 4.35Å; L442-M446 WeakPolarHBondContact O-CB 3.39Å; L442-M446 VanDerWaalsContact O-CG 3.23Å; L442-M446 WeakPolarHBondContact O-CG 3.43Å; L442-M446 PolarHBondContact O-N 3.04Å; R443-M446 PolarHBondContact O-N 3.43Å; R444-M446 VanDerWaalsContact C-N 3.27Å; R444-M446 PolarHBondContact O-N 3.38Å; M446-V449 PolarHBondContact O-N 3.06Å; M446-H450 PolarHBondContact O-N 3.46Å; M446-H450 PolarHBondContact O-ND1 2.83Å
447	S	81	Confident	76	Confident	75 Å²	75	98.1 Å²	98.1	52%	0.524	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-42.7	178.8	-173.6	0	0	0	0	111.7	R443 R444 V449 H450 A451	R443-S447 PolarHBondContact O-N 2.91Å; R444-S447 WeakPolarHBondContact O-CB 3.44Å; R444-S447 PolarHBondContact O-N 2.63Å; R444-S447 VanDerWaalsContact O-N 3.08Å; S447-V449 VanDerWaalsContact C-N 3.26Å; S447-V449 PolarHBondContact O-N 3.36Å; S447-H450 PolarHBondContact O-N 2.95Å; S447-A451 PolarHBondContact O-N 3.28Å
448	D	71.9	Confident	74.1	Confident	104 Å²	104	99.5 Å²	99.5	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-63.6	-33.1	179.6	-67	-13.8	0	0	0	112.2	R444 A451 T452	R444-D448 PolarHBondContact O-N 2.89Å; D448-A451 PolarHBondContact O-N 2.97Å; D448-T452 WeakPolarHBondContact O-CG2 3.34Å; D448-T452 PolarHBondContact O-N 2.99Å; D448-T452 PolarHBondContact O-OG1 2.93Å
449	V	65	Low	72.1	Confident	19 Å²	19	100.7 Å²	100.7	12%	0.115	51%	0.506	C	S	.	.	H	α-helix	trans	-70.9	-41.5	177.7	172.7	0	0	0	0	111.7	E318 K445 M446 S447 A451 T452 L453	E318-V449 HydrophobicContact CG-CG1 4.44Å; K445-V449 WeakPolarHBondContact O-CG2 3.38Å; M446-V449 PolarHBondContact O-N 3.06Å; S447-V449 VanDerWaalsContact C-N 3.26Å; S447-V449 PolarHBondContact O-N 3.36Å; V449-A451 VanDerWaalsContact C-N 3.27Å; V449-A451 PolarHBondContact O-N 3.18Å; V449-T452 PolarHBondContact O-N 2.71Å; V449-T452 PolarHBondContact O-OG1 3.37Å; V449-T452 VanDerWaalsContact O-OG1 3.12Å; V449-L453 HydrophobicContact CG1-CD1 3.29Å; V449-L453 HydrophobicContact CG1-CG 4.07Å; V449-L453 WeakPolarHBondContact O-CB 3.29Å; V449-L453 WeakPolarHBondContact O-CD1 3.45Å; V449-L453 WeakPolarHBondContact O-CG 3.34Å; V449-L453 PolarHBondContact O-N 3.13Å
450	H	62	Low	70	Confident	121 Å²	121	108.2 Å²	108.2	56%	0.56	54%	0.541	S	S	*	.	H	α-helix	trans	-67.6	-28.6	177.2	-70.9	75	0	0	0	112.5	N322 M446 S447 T452	N322-H450 PolarHBondContact OD1-CE1 2.86Å; M446-H450 PolarHBondContact O-N 3.46Å; M446-H450 PolarHBondContact O-ND1 2.83Å; S447-H450 PolarHBondContact O-N 2.95Å; H450-T452 VanDerWaalsContact C-N 3.35Å
451	A	56.6	Low	67.7	Low	83 Å²	83	107.1 Å²	107.1	69%	0.686	55%	0.545	S	S	*	.	H	α-helix	trans	-71.2	-30	175.5	0	0	0	0	0	112.8	S447 D448 V449	S447-A451 PolarHBondContact O-N 3.28Å; D448-A451 PolarHBondContact O-N 2.97Å; V449-A451 VanDerWaalsContact C-N 3.27Å; V449-A451 PolarHBondContact O-N 3.18Å
452	T	59.6	Low	65.2	Low	108 Å²	108	108.7 Å²	108.7	66%	0.663	56%	0.558	S	S	*	*	H	α-helix	trans	-98.6	-26.8	-173	51.9	0	0	0	0	114	D448 V449 H450 K454	D448-T452 WeakPolarHBondContact O-CG2 3.34Å; D448-T452 PolarHBondContact O-N 2.99Å; D448-T452 PolarHBondContact O-OG1 2.93Å; V449-T452 PolarHBondContact O-N 2.71Å; V449-T452 PolarHBondContact O-OG1 3.37Å; V449-T452 VanDerWaalsContact O-OG1 3.12Å; H450-T452 VanDerWaalsContact C-N 3.35Å; T452-K454 PolarHBondContact O-N 3.07Å
453	L	57.3	Low	62.6	Low	53 Å²	53	113.9 Å²	113.9	28%	0.277	59%	0.59	S	S	.	*			trans	-68.7	94.6	179.2	-81.9	161.8	0	0	0	112.1	Y315 E318 V449	Y315-L453 HydrophobicContact CD2-CD2 3.69Å; Y315-L453 HydrophobicContact CE2-CD2 3.55Å; E318-L453 HydrophobicContact CB-CD2 4.43Å; E318-L453 HydrophobicContact CG-CD2 4.22Å; V449-L453 HydrophobicContact CG1-CD1 3.29Å; V449-L453 HydrophobicContact CG1-CG 4.07Å; V449-L453 WeakPolarHBondContact O-CB 3.29Å; V449-L453 WeakPolarHBondContact O-CD1 3.45Å; V449-L453 WeakPolarHBondContact O-CG 3.34Å; V449-L453 PolarHBondContact O-N 3.13Å
454	K	62.5	Low	60	Low	166 Å²	166	110.8 Å²	110.8	72%	0.722	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-94	126.1	162.5	-73.3	-177.7	-179.3	174.1	0	109.5	T452	T452-K454 PolarHBondContact O-N 3.07Å
455	E	63.2	Low	57.6	Low	154 Å²	154	108.1 Å²	108.1	72%	0.72	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-57.2	132.1	169.9	-169.4	177.6	-174.3	0	0	109.2	R457	E455-R457 PolarHBondContact O-N 3.34Å; E455-R457 VanDerWaalsContact O-N 3.15Å
456	P	58.3	Low	55	Low	67 Å²	67	109.6 Å²	109.6	44%	0.435	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-59.6	120.5	178.5	20.4	-29.5	0	0	0	109.8
457	R	55.7	Low	52.9	Low	206 Å²	206	114.4 Å²	114.4	78%	0.777	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-74.5	139.7	179.7	-64.2	-174.1	-158	175.4	6.4	110.2	E455 V459	E455-R457 PolarHBondContact O-N 3.34Å; E455-R457 VanDerWaalsContact O-N 3.15Å; R457-V459 PolarHBondContact O-N 3.21Å; R457-V459 VanDerWaalsContact O-N 3.12Å
458	P	52.5	Low	50.8	Low	127 Å²	127	120.7 Å²	120.7	83%	0.825	66%	0.657	S	S	*	*			trans	-63.2	113.6	169.2	-15.7	28.1	0	0	0	110.1
459	V	52.5	Low	48.9	Very low	117 Å²	117	121.4 Å²	121.4	71%	0.709	67%	0.67	S	S	*	*			trans	-82.7	118.7	172.5	179.8	0	0	0	0	108.9	R457	R457-V459 PolarHBondContact O-N 3.21Å; R457-V459 VanDerWaalsContact O-N 3.12Å
460	Q	49	Very low	47.4	Very low	171 Å²	171	127 Å²	127	80%	0.799	70%	0.704	S	S	*	*			trans	-84	111.7	169	-65.9	-95.8	53.6	0	0	107.9	T462	Q460-T462 PolarHBondContact O-N 3.31Å; Q460-T462 VanDerWaalsContact O-N 3.14Å
461	V	46.1	Very low	45.9	Very low	109 Å²	109	126.8 Å²	126.8	66%	0.661	72%	0.715	S	S	*	*			trans	-79.3	95.7	175	-178.6	0	0	0	0	108.2
462	T	38	Very low	44.6	Very low	121 Å²	121	130.5 Å²	130.5	74%	0.742	72%	0.723	S	S	*	*			trans	-89.8	107.2	175.2	-40.5	0	0	0	0	109	Q460 S464	Q460-T462 PolarHBondContact O-N 3.31Å; Q460-T462 VanDerWaalsContact O-N 3.14Å; T462-S464 PolarHBondContact O-N 2.98Å
463	V	37.2	Very low	43.5	Very low	125 Å²	125	131.9 Å²	131.9	76%	0.758	73%	0.731	S	S	*	*			trans	-74.2	104.5	173.9	-178.5	0	0	0	0	108.3	S465	V463-S465 PolarHBondContact O-N 3.28Å
464	S	36.1	Very low	42.3	Very low	86 Å²	86	132.7 Å²	132.7	60%	0.601	75%	0.752	S	S	*	*			trans	-91.8	96.9	179	-177.1	0	0	0	0	110.1	T462 H466	T462-S464 PolarHBondContact O-N 2.98Å; S464-H466 PolarHBondContact OG-CE1 3.17Å; S464-H466 PolarHBondContact OG-ND1 2.94Å
465	S	37.9	Very low	40.7	Very low	105 Å²	105	131.5 Å²	131.5	73%	0.734	76%	0.759	S	S	*	*			trans	-88.8	103.3	168.2	57.1	0	0	0	0	109.1	V463 P467	V463-S465 PolarHBondContact O-N 3.28Å; S465-P467 WeakPolarHBondContact O-CD 3.31Å
466	H	30.8	Very low	39.3	Very low	161 Å²	161	133.4 Å²	133.4	75%	0.745	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-91.5	117.9	171.1	-77.8	33.8	0	0	0	109.9	S464	S464-H466 PolarHBondContact OG-CE1 3.17Å; S464-H466 PolarHBondContact OG-ND1 2.94Å
467	P	38.2	Very low	37.9	Very low	125 Å²	125	134.6 Å²	134.6	81%	0.812	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-78.4	128.9	173.2	29.7	-29.6	0	0	0	110.5	S465 S469	S465-P467 WeakPolarHBondContact O-CD 3.31Å; P467-S469 PolarHBondContact O-N 3.11Å
468	K	35.3	Very low	37	Very low	206 Å²	206	131.3 Å²	131.3	90%	0.896	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64.3	117.6	179.4	-72.7	172.7	176.1	176.4	0	110.7
469	S	32	Very low	36.1	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-83.5	120.9	171.3	-176.3	0	0	0	0	109.3	P467	P467-S469 PolarHBondContact O-N 3.11Å
470	V	34.2	Very low	35.3	Very low	136 Å²	136	134 Å²	134	82%	0.824	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99.7	139.9	177.1	-178.1	0	0	0	0	109.1
471	C	31.1	Very low	34.8	Very low	118 Å²	118	132.7 Å²	132.7	80%	0.797	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-71.9	154.2	-166.7	-57.8	0	0	0	0	115.2
472	D	29.8	Very low	34.7	Very low	160 Å²	160	135 Å²	135	86%	0.856	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-65.8	128	-178.1	-152.3	3.3	0	0	0	112.9
473	V	34.9	Very low	34.7	Very low	137 Å²	137	138.6 Å²	138.6	83%	0.83	79%	0.794	S	S	*	*			trans	-134.7	121.5	171.2	169.8	0	0	0	0	108.9
474	G	33.7	Very low	34.7	Very low	70 Å²	70	137.9 Å²	137.9	72%	0.722	80%	0.795	S	S	*	*			trans	75.1	85.4	143.7	0	0	0	0	0	117.6	E476	G474-E476 PolarHBondContact O-N 3.45Å
475	T	28.6	Very low	35.4	Very low	142 Å²	142	139.4 Å²	139.4	87%	0.871	80%	0.803	S	S	*	*			trans	-65.6	105.2	161.1	-53.2	0	0	0	0	110.6
476	E	34.3	Very low	35.8	Very low	194 Å²	194	140.1 Å²	140.1	91%	0.907	81%	0.805	S	S	*	*			trans	-130.3	132.6	153.7	-75.1	-141.5	165.6	0	0	110.7	G474	G474-E476 PolarHBondContact O-N 3.45Å
477	A	29.1	Very low	36.7	Very low	91 Å²	91	137.8 Å²	137.8	75%	0.752	80%	0.804	S	S	*	*			trans	-95.6	123.1	-170.3	0	0	0	0	0	110.2
478	V	36.2	Very low	37.2	Very low	137 Å²	137	137.3 Å²	137.3	83%	0.83	80%	0.801	S	S	*	*			trans	-152.4	139.2	148.2	-168.8	0	0	0	0	109
479	D	32.4	Very low	37.8	Very low	152 Å²	152	136.9 Å²	136.9	81%	0.813	80%	0.799	S	S	*	*			trans	-22.5	135.2	171.5	-62.1	-62.1	0	0	0	118.6
480	E	36.6	Very low	38.7	Very low	149 Å²	149	138.5 Å²	138.5	70%	0.696	80%	0.797	S	S	*	*				162.1	115.1	112.5	-164.5	179.6	-159.2	0	0	108.7	K482	E480-K482 PolarHBondContact O-N 3.36Å; E480-K482 VanDerWaalsContact OE2-CE 3.23Å; E480-K482 WeakPolarHBondContact OE2-CE 3.49Å; E480-K482 IonicContact OE2-NZ 3.07Å; E480-K482 PolarHBondContact OE2-NZ 2.92Å
481	V	38.9	Very low	39.4	Very low	143 Å²	143	142.8 Å²	142.8	87%	0.867	80%	0.799	S	S	*	*			trans	-68.7	74.7	-179.4	179.4	0	0	0	0	110	K483	V481-K483 PolarHBondContact O-N 3.13Å
482	K	43.2	Very low	40.3	Very low	158 Å²	158	144.1 Å²	144.1	69%	0.687	80%	0.796	S	S	*	*			trans	-80.3	101.5	166.8	-76.7	-175.7	179.4	160.9	0	108.5	E480 S484	E480-K482 PolarHBondContact O-N 3.36Å; E480-K482 VanDerWaalsContact OE2-CE 3.23Å; E480-K482 WeakPolarHBondContact OE2-CE 3.49Å; E480-K482 IonicContact OE2-NZ 3.07Å; E480-K482 PolarHBondContact OE2-NZ 2.92Å; K482-S484 PolarHBondContact O-N 3.43Å
483	K	38.1	Very low	41.2	Very low	196 Å²	196	147.2 Å²	147.2	85%	0.852	80%	0.796	S	S	*	*			trans	-43.7	107.8	169.1	-75.5	174.8	177.1	173	0	109.7	V481	V481-K483 PolarHBondContact O-N 3.13Å
484	S	38.2	Very low	41.9	Very low	111 Å²	111	149.9 Å²	149.9	78%	0.776	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-57.3	133.4	178.5	-46.5	0	0	0	0	110.4	K482	K482-S484 PolarHBondContact O-N 3.43Å
485	P	49.2	Very low	42.7	Very low	118 Å²	118	156.1 Å²	156.1	77%	0.766	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-64.3	142.1	-179.8	23.9	-31.5	0	0	0	111.1
486	P	47.1	Very low	43.8	Very low	119 Å²	119	158 Å²	158	77%	0.773	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-64.8	146.1	-177.5	25.1	-31.9	0	0	0	111.4
487	P	49.1	Very low	44.9	Very low	113 Å²	113	153.7 Å²	153.7	73%	0.734	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-59.7	144.5	-174	22.5	-32.1	0	0	0	111.6	K489	P487-K489 PolarHBondContact O-N 2.84Å; P487-K489 VanDerWaalsContact O-N 3.12Å
488	P	50.2	Low	46.1	Very low	115 Å²	115	156.3 Å²	156.3	75%	0.747	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-60.1	118	-170.4	22.9	-32.4	0	0	0	110.3	I490	P488-I490 PolarHBondContact O-N 2.86Å
489	K	47.9	Very low	47	Very low	196 Å²	196	153.1 Å²	153.1	85%	0.852	76%	0.757	S	S	*	*			trans	-58.9	105.6	169.7	-70.9	176.4	-179.5	176.1	0	107.2	P487 R491	P487-K489 PolarHBondContact O-N 2.84Å; P487-K489 VanDerWaalsContact O-N 3.12Å; K489-R491 PolarHBondContact O-N 3.48Å
490	I	50.5	Low	48.4	Very low	153 Å²	153	152.8 Å²	152.8	79%	0.785	76%	0.755	S	S	*	*			trans	-61.9	90.7	173.7	-59	175.5	0	0	0	106.9	P488 I492	P488-I490 PolarHBondContact O-N 2.86Å; I490-I492 VanDerWaalsContact C-N 3.28Å; I490-I492 HydrophobicContact CG2-CG1 3.94Å; I490-I492 PolarHBondContact O-N 3.15Å
491	R	47.8	Very low	50	Low	227 Å²	227	147.5 Å²	147.5	86%	0.857	74%	0.735	S	S	*	*			trans	-72	91	169.3	-88.7	178.5	160.8	160.6	-6.3	106	K489 R493	K489-R491 PolarHBondContact O-N 3.48Å; R491-R493 PolarHBondContact O-N 3.05Å
492	I	50.3	Low	51.8	Low	145 Å²	145	147.7 Å²	147.7	74%	0.744	73%	0.731	S	S	*	*			trans	-64.5	93.1	166.2	-56.6	179.4	0	0	0	105.9	I490 K494	I490-I492 VanDerWaalsContact C-N 3.28Å; I490-I492 HydrophobicContact CG2-CG1 3.94Å; I490-I492 PolarHBondContact O-N 3.15Å; I492-K494 PolarHBondContact O-N 2.94Å
493	R	49	Very low	53.6	Low	225 Å²	225	146 Å²	146	85%	0.849	73%	0.73	S	S	*	*			trans	-61.5	106	168.7	-74.2	-178.5	175.3	168.3	-1.6	105.5	R491 R495	R491-R493 PolarHBondContact O-N 3.05Å; R493-R495 PolarHBondContact O-N 3.49Å
494	K	48.9	Very low	55.5	Low	193 Å²	193	140.1 Å²	140.1	84%	0.839	71%	0.707	S	S	*	*			trans	-60.4	92.8	167	-67.1	-179.2	-179.4	177.4	0	105.8	I492 Q496	I492-K494 PolarHBondContact O-N 2.94Å; K494-Q496 VanDerWaalsContact C-N 3.34Å; K494-Q496 PolarHBondContact O-N 3.38Å
495	R	52	Low	57.6	Low	201 Å²	201	138.2 Å²	138.2	76%	0.758	69%	0.691	S	S	*	*			trans	-59.1	107.6	165.3	-79.5	-176.9	175.1	179.5	-2.2	104.5	R493 V497	R493-R495 PolarHBondContact O-N 3.49Å; R495-V497 PolarHBondContact O-N 3.44Å
496	Q	50.9	Low	59.3	Low	181 Å²	181	138.8 Å²	138.8	85%	0.846	68%	0.683	S	S	*	*			trans	-63	94.2	163	-78.5	173.9	-41.7	0	0	104.4	K494 Q498	K494-Q496 VanDerWaalsContact C-N 3.34Å; K494-Q496 PolarHBondContact O-N 3.38Å; Q496-Q498 VanDerWaalsContact C-N 3.35Å; Q496-Q498 PolarHBondContact O-N 3.34Å; Q496-Q498 VanDerWaalsContact O-N 3.11Å
497	V	56.7	Low	61	Low	104 Å²	104	142 Å²	142	63%	0.63	68%	0.68	S	S	*	*			trans	-69.1	107	165.4	-177.6	0	0	0	0	103.6	R495 M499	R495-V497 PolarHBondContact O-N 3.44Å; V497-M499 HydrophobicContact CB-SD 4.06Å; V497-M499 HydrophobicContact CG1-SD 3.51Å; V497-M499 VanDerWaalsContact CG1-SD 3.51Å; V497-M499 PolarHBondContact O-N 2.87Å
498	Q	54.1	Low	62.7	Low	146 Å²	146	141.1 Å²	141.1	68%	0.682	67%	0.668	S	S	*	*			trans	-63.6	104.2	168.4	-162.1	84	-0.1	0	0	105.3	Q496 D500	Q496-Q498 VanDerWaalsContact C-N 3.35Å; Q496-Q498 PolarHBondContact O-N 3.34Å; Q496-Q498 VanDerWaalsContact O-N 3.11Å; Q498-D500 WeakPolarHBondContact CG-OD1 3.33Å; Q498-D500 PolarHBondContact O-N 3.01Å
499	M	55.2	Low	64.6	Low	71 Å²	71	140.3 Å²	140.3	35%	0.35	66%	0.655	S	S	.	*			trans	-85.7	90.3	178.8	-56.3	-68.6	-55.8	0	0	105.8	V497 S501 D504 V505 L508	V497-M499 HydrophobicContact CB-SD 4.06Å; V497-M499 HydrophobicContact CG1-SD 3.51Å; V497-M499 VanDerWaalsContact CG1-SD 3.51Å; V497-M499 PolarHBondContact O-N 2.87Å; M499-S501 VanDerWaalsContact C-N 3.3Å; M499-S501 PolarHBondContact O-N 3.19Å; M499-D504 HydrophobicContact CE-CB 3.27Å; M499-V505 HydrophobicContact CB-CG2 3.96Å; M499-L508 HydrophobicContact CE-CD1 3.57Å; M499-L508 HydrophobicContact CE-CG 4.43Å; M499-L508 HydrophobicContact SD-CD1 4.2Å
500	D	62.4	Low	66.5	Low	144 Å²	144	139.4 Å²	139.4	77%	0.77	65%	0.646	S	S	*	*			trans	-81.3	-5.7	-174.3	-75.3	-27.9	0	0	0	113.6	Q498	Q498-D500 WeakPolarHBondContact CG-OD1 3.33Å; Q498-D500 PolarHBondContact O-N 3.01Å
501	S	71.4	Confident	68.4	Low	38 Å²	38	137.4 Å²	137.4	27%	0.266	64%	0.636	S	S	.	*			trans	-109.3	127.5	174.6	88.7	0	0	0	0	111.5	M499 D503 D504 V505	M499-S501 VanDerWaalsContact C-N 3.3Å; M499-S501 PolarHBondContact O-N 3.19Å; S501-D503 PolarHBondContact O-N 3.19Å; S501-D504 PolarHBondContact O-N 2.97Å; S501-D504 VanDerWaalsContact O-N 3.15Å; S501-D504 WeakPolarHBondContact OG-CB 3.41Å; S501-D504 PolarHBondContact OG-N 3.47Å; S501-D504 PolarHBondContact OG-OD2 2.89Å; S501-V505 PolarHBondContact O-N 3.35Å
502	D	76.4	Confident	70.5	Confident	147 Å²	147	135.4 Å²	135.4	79%	0.786	63%	0.629	S	S	*	*	H	α-helix	trans	-55.7	-32.1	170.7	-77.1	-29.9	0	0	0	111.2	D504 V505 E506	D502-D504 PolarHBondContact O-N 3.24Å; D502-V505 PolarHBondContact O-N 2.95Å; D502-E506 PolarHBondContact O-N 3.34Å
503	D	80	Confident	72.6	Confident	124 Å²	124	136.2 Å²	136.2	66%	0.663	62%	0.623	S	S	*	*	H	α-helix	trans	-60.5	-42.3	175.9	-71	-24.7	0	0	0	112.9	S501 E506 R507	S501-D503 PolarHBondContact O-N 3.19Å; D503-E506 PolarHBondContact O-N 3.33Å; D503-R507 VanDerWaalsContact O-CB 3.28Å; D503-R507 WeakPolarHBondContact O-CB 3.3Å; D503-R507 PolarHBondContact O-N 3.34Å
504	D	78	Confident	74.6	Confident	72 Å²	72	130.2 Å²	130.2	39%	0.385	61%	0.607	S	S	.	*	H	α-helix	trans	-71.3	-35.4	179.7	-71.3	-49.5	0	0	0	111.9	M499 S501 D502 R507 L508	M499-D504 HydrophobicContact CE-CB 3.27Å; S501-D504 PolarHBondContact O-N 2.97Å; S501-D504 VanDerWaalsContact O-N 3.15Å; S501-D504 WeakPolarHBondContact OG-CB 3.41Å; S501-D504 PolarHBondContact OG-N 3.47Å; S501-D504 PolarHBondContact OG-OD2 2.89Å; D502-D504 PolarHBondContact O-N 3.24Å; D504-R507 PolarHBondContact O-N 3.47Å; D504-L508 WeakPolarHBondContact O-CB 3.32Å; D504-L508 WeakPolarHBondContact O-CG 3.29Å; D504-L508 PolarHBondContact O-N 3.26Å
505	V	82.2	Confident	76.7	Confident	70 Å²	70	130.6 Å²	130.6	42%	0.424	60%	0.603	S	S	.	*	H	α-helix	trans	-63.8	-45.8	174.6	178.5	0	0	0	0	109.9	M499 S501 D502 L508 Q509	M499-V505 HydrophobicContact CB-CG2 3.96Å; S501-V505 PolarHBondContact O-N 3.35Å; D502-V505 PolarHBondContact O-N 2.95Å; V505-L508 PolarHBondContact O-N 2.95Å; V505-Q509 WeakPolarHBondContact O-CB 3.33Å; V505-Q509 PolarHBondContact O-N 3.43Å
506	E	86.2	Confident	78.7	Confident	130 Å²	130	127.1 Å²	127.1	61%	0.607	60%	0.597	S	S	*	*	H	α-helix	trans	-62.9	-43.6	175.9	-172.9	172.5	-167.5	0	0	111.5	D502 D503 L508 Q509 R510	D502-E506 PolarHBondContact O-N 3.34Å; D503-E506 PolarHBondContact O-N 3.33Å; E506-L508 PolarHBondContact O-N 2.89Å; E506-Q509 PolarHBondContact O-N 2.81Å; E506-R510 WeakPolarHBondContact O-CB 3.37Å; E506-R510 PolarHBondContact O-N 3.34Å
507	R	82.6	Confident	80.7	Confident	187 Å²	187	121.4 Å²	121.4	71%	0.706	58%	0.58	S	S	*	*	H	α-helix	trans	-60.2	-43.8	176.8	-172.2	171.4	-175.1	-107.2	1	112.1	D503 D504 R510 L511	D503-R507 VanDerWaalsContact O-CB 3.28Å; D503-R507 WeakPolarHBondContact O-CB 3.3Å; D503-R507 PolarHBondContact O-N 3.34Å; D504-R507 PolarHBondContact O-N 3.47Å; R507-R510 PolarHBondContact O-N 3.44Å; R507-L511 WeakPolarHBondContact O-CB 3.43Å; R507-L511 PolarHBondContact O-N 2.98Å
508	L	84.7	Confident	82.4	Confident	94 Å²	94	119.3 Å²	119.3	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-65	-40.1	175	-76.3	176.5	0	0	0	111.9	M499 D504 V505 E506 L511 R512	M499-L508 HydrophobicContact CE-CD1 3.57Å; M499-L508 HydrophobicContact CE-CG 4.43Å; M499-L508 HydrophobicContact SD-CD1 4.2Å; D504-L508 WeakPolarHBondContact O-CB 3.32Å; D504-L508 WeakPolarHBondContact O-CG 3.29Å; D504-L508 PolarHBondContact O-N 3.26Å; V505-L508 PolarHBondContact O-N 2.95Å; E506-L508 PolarHBondContact O-N 2.89Å; L508-L511 PolarHBondContact O-N 3.39Å; L508-R512 WeakPolarHBondContact O-CB 3.42Å; L508-R512 PolarHBondContact O-N 3.45Å
509	Q	88.9	Confident	84.2	Confident	98 Å²	98	116.1 Å²	116.1	46%	0.458	56%	0.559	S	S	.	*	H	α-helix	trans	-64.6	-42.5	176.7	-160.9	-176.1	18.4	0	0	111.1	V505 E506 R512 R513	V505-Q509 WeakPolarHBondContact O-CB 3.33Å; V505-Q509 PolarHBondContact O-N 3.43Å; E506-Q509 PolarHBondContact O-N 2.81Å; Q509-R512 PolarHBondContact O-N 3.37Å; Q509-R513 VanDerWaalsContact CD-NH2 3.31Å; Q509-R513 WeakPolarHBondContact O-CG 3.48Å; Q509-R513 PolarHBondContact O-N 2.94Å
510	R	88.5	Confident	86	Confident	178 Å²	178	120.6 Å²	120.6	67%	0.672	58%	0.577	S	S	*	*	H	α-helix	trans	-60.1	-46.7	173.3	-173.3	178.6	-178.5	-135.5	1.1	111.4	E506 R507 R512 R513 L514	E506-R510 WeakPolarHBondContact O-CB 3.37Å; E506-R510 PolarHBondContact O-N 3.34Å; R507-R510 PolarHBondContact O-N 3.44Å; R510-R512 VanDerWaalsContact C-N 3.32Å; R510-R512 PolarHBondContact O-N 3.27Å; R510-R513 PolarHBondContact O-N 3.1Å; R510-L514 HydrophobicContact CG-CD1 4.42Å; R510-L514 WeakPolarHBondContact O-CG 3.5Å; R510-L514 PolarHBondContact O-N 3.32Å
511	L	90.4	Very high	87.5	Confident	111 Å²	111	122.4 Å²	122.4	58%	0.581	57%	0.573	S	S	*	*	H	α-helix	trans	-63.3	-38.8	178.1	-165.1	66.3	0	0	0	111.8	R507 L508 L514 R515	R507-L511 WeakPolarHBondContact O-CB 3.43Å; R507-L511 PolarHBondContact O-N 2.98Å; L508-L511 PolarHBondContact O-N 3.39Å; L511-L514 PolarHBondContact O-N 3.4Å; L511-R515 WeakPolarHBondContact O-CB 3.42Å; L511-R515 PolarHBondContact O-N 2.84Å
512	R	92.2	Very high	88.6	Confident	185 Å²	185	126.7 Å²	126.7	70%	0.698	58%	0.583	S	S	*	*	H	α-helix	trans	-62.6	-43.8	174	-171.2	175.7	-176.5	172.8	0.3	111.6	L508 Q509 R510 R515 M516	L508-R512 WeakPolarHBondContact O-CB 3.42Å; L508-R512 PolarHBondContact O-N 3.45Å; Q509-R512 PolarHBondContact O-N 3.37Å; R510-R512 VanDerWaalsContact C-N 3.32Å; R510-R512 PolarHBondContact O-N 3.27Å; R512-R515 PolarHBondContact O-N 2.84Å; R512-M516 WeakPolarHBondContact O-CB 3.48Å; R512-M516 WeakPolarHBondContact O-CG 3.46Å; R512-M516 PolarHBondContact O-N 2.9Å
513	R	93.1	Very high	89.4	Confident	162 Å²	162	123.1 Å²	123.1	61%	0.611	56%	0.563	S	S	*	*	H	α-helix	trans	-61.7	-45.7	175.1	-69.5	176.1	-168.1	165.5	7.5	111.4	Q509 R510 M516 A517	Q509-R513 VanDerWaalsContact CD-NH2 3.31Å; Q509-R513 WeakPolarHBondContact O-CG 3.48Å; Q509-R513 PolarHBondContact O-N 2.94Å; R510-R513 PolarHBondContact O-N 3.1Å; R513-M516 PolarHBondContact O-N 3.16Å; R513-A517 WeakPolarHBondContact O-CB 3.34Å; R513-A517 PolarHBondContact O-N 2.67Å
514	L	91.4	Very high	90.2	Very high	99 Å²	99	122.6 Å²	122.6	52%	0.518	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-44.2	176.7	-71.6	173.5	0	0	0	112.2	R510 L511 M516 A517 A518	R510-L514 HydrophobicContact CG-CD1 4.42Å; R510-L514 WeakPolarHBondContact O-CG 3.5Å; R510-L514 PolarHBondContact O-N 3.32Å; L511-L514 PolarHBondContact O-N 3.4Å; L514-M516 PolarHBondContact O-N 3.44Å; L514-A517 PolarHBondContact O-N 2.86Å; L514-A518 WeakPolarHBondContact O-CB 3.5Å; L514-A518 PolarHBondContact O-N 3.11Å
515	R	93.3	Very high	91	Very high	200 Å²	200	123.9 Å²	123.9	76%	0.755	56%	0.563	S	S	*	*	H	α-helix	trans	-59.8	-45.6	175.2	-177.3	-177.3	176.9	-172.7	0.5	111.5	L511 R512 A518 E519	L511-R515 WeakPolarHBondContact O-CB 3.42Å; L511-R515 PolarHBondContact O-N 2.84Å; R512-R515 PolarHBondContact O-N 2.84Å; R515-A518 PolarHBondContact O-N 2.93Å; R515-E519 WeakPolarHBondContact O-CB 3.42Å; R515-E519 PolarHBondContact O-N 3.1Å
516	M	93.9	Very high	91.6	Very high	129 Å²	129	124.2 Å²	124.2	64%	0.635	57%	0.565	S	S	*	*	H	α-helix	trans	-63.9	-40.2	177.5	-69.9	-67.7	-71.1	0	0	111.8	R512 R513 L514 E519 K520	R512-M516 WeakPolarHBondContact O-CB 3.48Å; R512-M516 WeakPolarHBondContact O-CG 3.46Å; R512-M516 PolarHBondContact O-N 2.9Å; R513-M516 PolarHBondContact O-N 3.16Å; L514-M516 PolarHBondContact O-N 3.44Å; M516-E519 PolarHBondContact O-N 3.03Å; M516-K520 WeakPolarHBondContact O-CB 3.35Å; M516-K520 PolarHBondContact O-N 2.66Å
517	A	92.8	Very high	92.1	Very high	60 Å²	60	124.1 Å²	124.1	50%	0.496	56%	0.563	S	S	.	*	H	α-helix	trans	-65.3	-43.4	175.5	0	0	0	0	0	112.1	R513 L514 K520 R521	R513-A517 WeakPolarHBondContact O-CB 3.34Å; R513-A517 PolarHBondContact O-N 2.67Å; L514-A517 PolarHBondContact O-N 2.86Å; A517-K520 PolarHBondContact O-N 3.4Å; A517-R521 PolarHBondContact O-N 3.5Å
518	A	92	Very high	92.8	Very high	60 Å²	60	123.1 Å²	123.1	50%	0.496	56%	0.559	S	S	.	*	H	α-helix	trans	-62.1	-43.4	175	0	0	0	0	0	111.7	L514 R515 R521 R522	L514-A518 WeakPolarHBondContact O-CB 3.5Å; L514-A518 PolarHBondContact O-N 3.11Å; R515-A518 PolarHBondContact O-N 2.93Å; A518-R521 WeakPolarHBondContact O-CB 3.27Å; A518-R521 PolarHBondContact O-N 2.9Å; A518-R522 PolarHBondContact O-N 3Å
519	E	92.1	Very high	93.3	Very high	79 Å²	79	124.5 Å²	124.5	37%	0.369	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-40.3	177.7	-174.1	56.1	-156.2	0	0	111.8	R515 M516 R521 R522 I523	R515-E519 WeakPolarHBondContact O-CB 3.42Å; R515-E519 PolarHBondContact O-N 3.1Å; M516-E519 PolarHBondContact O-N 3.03Å; E519-R521 VanDerWaalsContact C-N 3.33Å; E519-R521 PolarHBondContact O-N 3.34Å; E519-R522 WeakPolarHBondContact O-CB 3.39Å; E519-R522 PolarHBondContact O-N 3.18Å; E519-R522 IonicContact OE1-CZ 2.81Å; E519-R522 VanDerWaalsContact OE1-CZ 3.28Å; E519-R522 IonicContact OE1-NE 3.72Å; E519-R522 PolarHBondContact OE1-NE 3.08Å; E519-R522 IonicContact OE1-NH2 2.87Å; E519-R522 PolarHBondContact OE1-NH2 3.01Å; E519-R522 IonicContact OE2-NE 2.59Å; E519-R522 PolarHBondContact OE2-NE 3.04Å; E519-I523 HydrophobicContact CG-CD1 4.2Å; E519-I523 VanDerWaalsContact O-CG1 3.32Å; E519-I523 WeakPolarHBondContact O-CG1 3.34Å; E519-I523 PolarHBondContact O-N 3.26Å
520	K	93.7	Very high	93.6	Very high	165 Å²	165	126 Å²	126	72%	0.717	57%	0.573	S	S	*	*	H	α-helix	trans	-59.8	-43.3	172.8	-171	178.9	-179.7	-177.9	0	111.5	M516 A517 I523 E524	M516-K520 WeakPolarHBondContact O-CB 3.35Å; M516-K520 PolarHBondContact O-N 2.66Å; A517-K520 PolarHBondContact O-N 3.4Å; K520-I523 PolarHBondContact O-N 3.47Å; K520-E524 PolarHBondContact O-N 2.94Å
521	R	92.9	Very high	94	Very high	182 Å²	182	124.9 Å²	124.9	69%	0.687	57%	0.57	S	S	*	*	H	α-helix	trans	-62.9	-43.1	175.4	-175.1	177.8	179.7	176.4	-0.1	111.7	A517 A518 E519 E524 L525	A517-R521 PolarHBondContact O-N 3.5Å; A518-R521 WeakPolarHBondContact O-CB 3.27Å; A518-R521 PolarHBondContact O-N 2.9Å; E519-R521 VanDerWaalsContact C-N 3.33Å; E519-R521 PolarHBondContact O-N 3.34Å; R521-E524 PolarHBondContact O-N 3.34Å; R521-L525 HydrophobicContact CG-CD1 4.16Å; R521-L525 VanDerWaalsContact O-CG 3.3Å; R521-L525 WeakPolarHBondContact O-CG 3.34Å; R521-L525 PolarHBondContact O-N 3.29Å
522	R	94.7	Very high	94.2	Very high	129 Å²	129	124 Å²	124	49%	0.487	57%	0.565	S	S	.	*	H	α-helix	trans	-59.9	-46.8	176.8	-168.8	-166	71.2	75.9	1.7	111.5	A518 E519 E524 L525 V526	A518-R522 PolarHBondContact O-N 3Å; E519-R522 WeakPolarHBondContact O-CB 3.39Å; E519-R522 PolarHBondContact O-N 3.18Å; E519-R522 IonicContact OE1-CZ 2.81Å; E519-R522 VanDerWaalsContact OE1-CZ 3.28Å; E519-R522 IonicContact OE1-NE 3.72Å; E519-R522 PolarHBondContact OE1-NE 3.08Å; E519-R522 IonicContact OE1-NH2 2.87Å; E519-R522 PolarHBondContact OE1-NH2 3.01Å; E519-R522 IonicContact OE2-NE 2.59Å; E519-R522 PolarHBondContact OE2-NE 3.04Å; R522-E524 VanDerWaalsContact C-N 3.34Å; R522-E524 PolarHBondContact O-N 2.88Å; R522-L525 PolarHBondContact O-N 3.39Å; R522-V526 WeakPolarHBondContact O-CG2 3.44Å; R522-V526 PolarHBondContact O-N 3.11Å
523	I	94.3	Very high	94.3	Very high	71 Å²	71	123.7 Å²	123.7	36%	0.364	57%	0.565	S	S	.	*	H	α-helix	trans	-60.1	-44.9	177.7	-68.4	165.5	0	0	0	110.8	E519 K520 V526 K527	E519-I523 HydrophobicContact CG-CD1 4.2Å; E519-I523 VanDerWaalsContact O-CG1 3.32Å; E519-I523 WeakPolarHBondContact O-CG1 3.34Å; E519-I523 PolarHBondContact O-N 3.26Å; K520-I523 PolarHBondContact O-N 3.47Å; I523-V526 PolarHBondContact O-N 3.04Å; I523-K527 HydrophobicContact CG2-CD 4.34Å; I523-K527 WeakPolarHBondContact O-CG 3.12Å; I523-K527 PolarHBondContact O-N 3.09Å
524	E	95.3	Very high	94.4	Very high	113 Å²	113	119.3 Å²	119.3	53%	0.528	56%	0.556	S	S	.	*	H	α-helix	trans	-64.1	-41.7	178.8	-170.7	56.9	-152.6	0	0	112.4	K520 R521 R522 V526 K527 R528	K520-E524 PolarHBondContact O-N 2.94Å; R521-E524 PolarHBondContact O-N 3.34Å; R522-E524 VanDerWaalsContact C-N 3.34Å; R522-E524 PolarHBondContact O-N 2.88Å; E524-V526 PolarHBondContact O-N 3Å; E524-K527 PolarHBondContact O-N 3.38Å; E524-R528 WeakPolarHBondContact O-CB 3.4Å; E524-R528 PolarHBondContact O-N 2.72Å
525	L	94.8	Very high	94.6	Very high	99 Å²	99	116.7 Å²	116.7	52%	0.518	55%	0.546	S	S	.	.	H	α-helix	trans	-62.6	-41.1	175	-71.3	172.3	0	0	0	112.1	R521 R522 R528 L529	R521-L525 HydrophobicContact CG-CD1 4.16Å; R521-L525 VanDerWaalsContact O-CG 3.3Å; R521-L525 WeakPolarHBondContact O-CG 3.34Å; R521-L525 PolarHBondContact O-N 3.29Å; R522-L525 PolarHBondContact O-N 3.39Å; L525-R528 PolarHBondContact O-N 2.92Å; L525-L529 WeakPolarHBondContact O-CB 3.4Å; L525-L529 PolarHBondContact O-N 2.87Å
526	V	95.6	Very high	94.7	Very high	78 Å²	78	112 Å²	112	47%	0.473	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-42.5	175.9	171.2	0	0	0	0	111.2	R522 I523 E524 L529 H530	R522-V526 WeakPolarHBondContact O-CG2 3.44Å; R522-V526 PolarHBondContact O-N 3.11Å; I523-V526 PolarHBondContact O-N 3.04Å; E524-V526 PolarHBondContact O-N 3Å; V526-L529 PolarHBondContact O-N 2.92Å; V526-H530 PolarHBondContact O-N 3.49Å
527	K	97.4	Very high	94.7	Very high	127 Å²	127	107.1 Å²	107.1	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-60.5	-45.5	174.5	-73.7	177	179.3	-179.1	0	111.6	I523 E524 H530 Y531	I523-K527 HydrophobicContact CG2-CD 4.34Å; I523-K527 WeakPolarHBondContact O-CG 3.12Å; I523-K527 PolarHBondContact O-N 3.09Å; E524-K527 PolarHBondContact O-N 3.38Å; K527-H530 PolarHBondContact O-N 3.49Å; K527-Y531 WeakPolarHBondContact O-CB 3.42Å; K527-Y531 PolarHBondContact O-N 2.84Å
528	R	96.4	Very high	94.8	Very high	167 Å²	167	108.3 Å²	108.3	63%	0.63	52%	0.52	S	S	*	.	H	α-helix	trans	-63.3	-41.8	177.7	-170.3	171.2	-177.3	174.9	0.3	112	E524 L525 Y531 L532	E524-R528 WeakPolarHBondContact O-CB 3.4Å; E524-R528 PolarHBondContact O-N 2.72Å; L525-R528 PolarHBondContact O-N 2.92Å; R528-Y531 PolarHBondContact O-N 3.13Å; R528-L532 HydrophobicContact CG-CD1 4.26Å; R528-L532 WeakPolarHBondContact O-CB 3.31Å; R528-L532 VanDerWaalsContact O-CG 3.28Å; R528-L532 WeakPolarHBondContact O-CG 3.31Å; R528-L532 PolarHBondContact O-N 2.8Å
529	L	95.1	Very high	94.9	Very high	122 Å²	122	113.7 Å²	113.7	64%	0.639	53%	0.527	S	S	*	.	H	α-helix	trans	-60.8	-48	175.2	178.5	63.1	0	0	0	111.3	L525 V526 Y531 L532 Y533	L525-L529 WeakPolarHBondContact O-CB 3.4Å; L525-L529 PolarHBondContact O-N 2.87Å; V526-L529 PolarHBondContact O-N 2.92Å; L529-Y531 PolarHBondContact O-N 3.32Å; L529-L532 PolarHBondContact O-N 3.4Å; L529-Y533 WeakPolarHBondContact O-CB 3.45Å; L529-Y533 PolarHBondContact O-N 3.4Å
530	H	95.1	Very high	95	Very high	129 Å²	129	116.6 Å²	116.6	60%	0.597	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-44.5	177.8	-175.4	71.5	0	0	0	111.8	V526 K527 L532 Y533 V534	V526-H530 PolarHBondContact O-N 3.49Å; K527-H530 PolarHBondContact O-N 3.49Å; H530-L532 PolarHBondContact O-N 3.36Å; H530-Y533 PolarHBondContact O-N 3.4Å; H530-V534 WeakPolarHBondContact O-CG2 3.29Å; H530-V534 PolarHBondContact O-N 3.1Å
531	Y	96.7	Very high	95.1	Very high	156 Å²	156	112 Å²	112	61%	0.612	52%	0.52	S	S	*	.	H	α-helix	trans	-57.7	-47.6	174.7	172.1	-96.5	0	0	0	112.2	K527 R528 L529 Y533 V534 S535	K527-Y531 WeakPolarHBondContact O-CB 3.42Å; K527-Y531 PolarHBondContact O-N 2.84Å; R528-Y531 PolarHBondContact O-N 3.13Å; L529-Y531 PolarHBondContact O-N 3.32Å; Y531-Y533 PolarHBondContact O-N 2.93Å; Y531-V534 PolarHBondContact O-N 3.14Å; Y531-S535 VanDerWaalsContact O-CB 3.23Å; Y531-S535 WeakPolarHBondContact O-CB 3.46Å; Y531-S535 PolarHBondContact O-N 3.46Å
532	L	95.6	Very high	95.2	Very high	93 Å²	93	109.5 Å²	109.5	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-39.9	178.8	-72.2	172.6	0	0	0	112.1	R528 L529 H530 S535 L536	R528-L532 HydrophobicContact CG-CD1 4.26Å; R528-L532 WeakPolarHBondContact O-CB 3.31Å; R528-L532 VanDerWaalsContact O-CG 3.28Å; R528-L532 WeakPolarHBondContact O-CG 3.31Å; R528-L532 PolarHBondContact O-N 2.8Å; L529-L532 PolarHBondContact O-N 3.4Å; H530-L532 PolarHBondContact O-N 3.36Å; L532-S535 PolarHBondContact O-N 3.39Å; L532-L536 VanDerWaalsContact O-CB 3.3Å; L532-L536 WeakPolarHBondContact O-CB 3.37Å; L532-L536 PolarHBondContact O-N 2.86Å
533	Y	94	Very high	95.2	Very high	177 Å²	177	105.4 Å²	105.4	69%	0.694	51%	0.51	S	S	*	.	H	α-helix	trans	-62.6	-45.1	176.5	-175.2	-98	0	0	0	111.9	L529 H530 Y531 L536 G537	L529-Y533 WeakPolarHBondContact O-CB 3.45Å; L529-Y533 PolarHBondContact O-N 3.4Å; H530-Y533 PolarHBondContact O-N 3.4Å; Y531-Y533 PolarHBondContact O-N 2.93Å; Y533-L536 PolarHBondContact O-N 3.46Å; Y533-G537 PolarHBondContact O-N 2.67Å
534	V	95.9	Very high	95.2	Very high	70 Å²	70	108 Å²	108	42%	0.424	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-46.8	175.3	173.7	0	0	0	0	110.8	H530 Y531 L536 G537 T538	H530-V534 WeakPolarHBondContact O-CG2 3.29Å; H530-V534 PolarHBondContact O-N 3.1Å; Y531-V534 PolarHBondContact O-N 3.14Å; V534-L536 VanDerWaalsContact C-N 3.34Å; V534-L536 PolarHBondContact O-N 2.87Å; V534-G537 WeakPolarHBondContact O-CA 3.45Å; V534-G537 PolarHBondContact O-N 3.32Å; V534-G537 VanDerWaalsContact O-N 3.11Å; V534-T538 HydrophobicContact CG1-CG2 4.4Å; V534-T538 WeakPolarHBondContact O-CG2 3.35Å; V534-T538 PolarHBondContact O-N 3.36Å; V534-T538 PolarHBondContact O-OG1 3.41Å
535	S	95.6	Very high	95.3	Very high	44 Å²	44	105.8 Å²	105.8	31%	0.308	51%	0.507	S	S	.	.	H	α-helix	trans	-59.6	-40.8	177.8	-178.8	0	0	0	0	112.5	Y531 L532 T538 R539	Y531-S535 VanDerWaalsContact O-CB 3.23Å; Y531-S535 WeakPolarHBondContact O-CB 3.46Å; Y531-S535 PolarHBondContact O-N 3.46Å; L532-S535 PolarHBondContact O-N 3.39Å; S535-T538 WeakPolarHBondContact CA-OG1 3.49Å; S535-T538 PolarHBondContact O-N 2.78Å; S535-T538 PolarHBondContact O-OG1 3.31Å; S535-R539 VanDerWaalsContact O-CB 3.31Å; S535-R539 WeakPolarHBondContact O-CB 3.36Å; S535-R539 PolarHBondContact O-N 3.35Å
536	L	95.4	Very high	95.3	Very high	103 Å²	103	104.3 Å²	104.3	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-43.7	174	-179.7	64.7	0	0	0	111.1	L532 Y533 V534 R540	L532-L536 VanDerWaalsContact O-CB 3.3Å; L532-L536 WeakPolarHBondContact O-CB 3.37Å; L532-L536 PolarHBondContact O-N 2.86Å; Y533-L536 PolarHBondContact O-N 3.46Å; V534-L536 VanDerWaalsContact C-N 3.34Å; V534-L536 PolarHBondContact O-N 2.87Å; L536-R540 VanDerWaalsContact O-CB 3.28Å; L536-R540 WeakPolarHBondContact O-CB 3.35Å; L536-R540 PolarHBondContact O-N 3.36Å
537	G	93.1	Very high	95.4	Very high	26 Å²	26	109.8 Å²	109.8	27%	0.268	51%	0.51	S	S	.	.	H	α-helix	trans	-58.5	-48.2	175.3	0	0	0	0	0	112.7	Y533 V534 R540 T541	Y533-G537 PolarHBondContact O-N 2.67Å; V534-G537 WeakPolarHBondContact O-CA 3.45Å; V534-G537 PolarHBondContact O-N 3.32Å; V534-G537 VanDerWaalsContact O-N 3.11Å; G537-R540 PolarHBondContact O-N 2.88Å; G537-T541 PolarHBondContact O-N 3.08Å; G537-T541 PolarHBondContact O-OG1 3.1Å
538	T	94.4	Very high	95.4	Very high	85 Å²	85	109 Å²	109	52%	0.521	51%	0.507	S	S	.	.	H	α-helix	trans	-66.8	-44.6	179.2	55.2	0	0	0	0	111.8	V534 S535 R540 T541 Q542	V534-T538 HydrophobicContact CG1-CG2 4.4Å; V534-T538 WeakPolarHBondContact O-CG2 3.35Å; V534-T538 PolarHBondContact O-N 3.36Å; V534-T538 PolarHBondContact O-OG1 3.41Å; S535-T538 WeakPolarHBondContact CA-OG1 3.49Å; S535-T538 PolarHBondContact O-N 2.78Å; S535-T538 PolarHBondContact O-OG1 3.31Å; T538-R540 VanDerWaalsContact C-N 3.3Å; T538-R540 PolarHBondContact O-N 2.93Å; T538-T541 PolarHBondContact O-N 3.14Å; T538-T541 VanDerWaalsContact O-N 3.16Å; T538-Q542 WeakPolarHBondContact O-CB 3.46Å; T538-Q542 PolarHBondContact O-N 3.05Å
539	R	95.8	Very high	95.5	Very high	173 Å²	173	108.6 Å²	108.6	65%	0.653	51%	0.505	S	S	*	.	H	α-helix	trans	-59.8	-40.8	176.2	-167.7	174	82.5	-179.9	5.4	111.9	S535 Q542 A543	S535-R539 VanDerWaalsContact O-CB 3.31Å; S535-R539 WeakPolarHBondContact O-CB 3.36Å; S535-R539 PolarHBondContact O-N 3.35Å; R539-Q542 PolarHBondContact O-N 2.86Å; R539-A543 WeakPolarHBondContact O-CB 3.25Å; R539-A543 PolarHBondContact O-N 3.29Å
540	R	93.7	Very high	95.6	Very high	140 Å²	140	110.6 Å²	110.6	53%	0.528	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-41.4	175.9	-175.1	-178.1	64.7	138.4	2	112	L536 G537 T538 R544	L536-R540 VanDerWaalsContact O-CB 3.28Å; L536-R540 WeakPolarHBondContact O-CB 3.35Å; L536-R540 PolarHBondContact O-N 3.36Å; G537-R540 PolarHBondContact O-N 2.88Å; T538-R540 VanDerWaalsContact C-N 3.3Å; T538-R540 PolarHBondContact O-N 2.93Å; R540-R544 WeakPolarHBondContact O-CG 3.47Å; R540-R544 PolarHBondContact O-N 3.42Å; R540-R544 VanDerWaalsContact O-N 3.1Å
541	T	94.5	Very high	95.7	Very high	67 Å²	67	110.8 Å²	110.8	41%	0.411	50%	0.501	S	S	.	.	H	α-helix	trans	-67.6	-44.5	176.2	-60.3	0	0	0	0	111.2	G537 T538 A543 R544 D545	G537-T541 PolarHBondContact O-N 3.08Å; G537-T541 PolarHBondContact O-OG1 3.1Å; T538-T541 PolarHBondContact O-N 3.14Å; T538-T541 VanDerWaalsContact O-N 3.16Å; T541-A543 VanDerWaalsContact C-N 3.34Å; T541-A543 PolarHBondContact O-N 3.09Å; T541-R544 WeakPolarHBondContact O-CB 3.33Å; T541-R544 PolarHBondContact O-N 3.32Å; T541-R544 VanDerWaalsContact O-N 3.11Å; T541-D545 PolarHBondContact O-N 2.96Å
542	Q	95.5	Very high	95.7	Very high	131 Å²	131	110.1 Å²	110.1	61%	0.612	50%	0.498	S	S	*	.	H	α-helix	trans	-56.3	-47.5	175.6	-176.2	-177	13.3	0	0	111.7	T538 R539 R544 D545 E546	T538-Q542 WeakPolarHBondContact O-CB 3.46Å; T538-Q542 PolarHBondContact O-N 3.05Å; R539-Q542 PolarHBondContact O-N 2.86Å; Q542-R544 VanDerWaalsContact C-N 3.35Å; Q542-R544 PolarHBondContact O-N 2.89Å; Q542-D545 PolarHBondContact O-N 3.45Å; Q542-E546 WeakPolarHBondContact O-CB 3.36Å; Q542-E546 PolarHBondContact O-N 2.97Å
543	A	95.8	Very high	95.8	Very high	43 Å²	43	108.5 Å²	108.5	36%	0.355	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-43.4	176.6	0	0	0	0	0	111.7	R539 T541 D545 E546 W547	R539-A543 WeakPolarHBondContact O-CB 3.25Å; R539-A543 PolarHBondContact O-N 3.29Å; T541-A543 VanDerWaalsContact C-N 3.34Å; T541-A543 PolarHBondContact O-N 3.09Å; A543-D545 PolarHBondContact O-N 3.34Å; A543-E546 PolarHBondContact O-N 3.34Å; A543-W547 WeakPolarHBondContact O-CB 3.4Å; A543-W547 PolarHBondContact O-N 3.24Å
544	R	94.3	Very high	95.8	Very high	124 Å²	124	102.9 Å²	102.9	47%	0.468	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-42.4	175.7	-77.7	179.2	177.1	136.1	-1.2	112.6	R540 T541 Q542 W547 K548	R540-R544 WeakPolarHBondContact O-CG 3.47Å; R540-R544 PolarHBondContact O-N 3.42Å; R540-R544 VanDerWaalsContact O-N 3.1Å; T541-R544 WeakPolarHBondContact O-CB 3.33Å; T541-R544 PolarHBondContact O-N 3.32Å; T541-R544 VanDerWaalsContact O-N 3.11Å; Q542-R544 VanDerWaalsContact C-N 3.35Å; Q542-R544 PolarHBondContact O-N 2.89Å; R544-W547 PolarHBondContact O-N 3.45Å; R544-K548 WeakPolarHBondContact O-CB 3.4Å; R544-K548 VanDerWaalsContact O-CG 3.28Å; R544-K548 WeakPolarHBondContact O-CG 3.17Å; R544-K548 PolarHBondContact O-N 3.34Å
545	D	96.2	Very high	95.8	Very high	68 Å²	68	105.3 Å²	105.3	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-72.6	-34.9	-178.8	-67.5	-23.4	0	0	0	111.7	T541 Q542 A543 K548 R549	T541-D545 PolarHBondContact O-N 2.96Å; Q542-D545 PolarHBondContact O-N 3.45Å; A543-D545 PolarHBondContact O-N 3.34Å; D545-K548 PolarHBondContact O-N 2.95Å; D545-K548 IonicContact OD1-NZ 3.97Å; D545-R549 WeakPolarHBondContact O-CB 3.5Å; D545-R549 PolarHBondContact O-N 3.49Å
546	E	96	Very high	95.7	Very high	67 Å²	67	111.9 Å²	111.9	31%	0.313	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-48	169.6	-173.6	-176.7	171.1	0	0	111.7	Q542 A543 K548 R549 R550	Q542-E546 WeakPolarHBondContact O-CB 3.36Å; Q542-E546 PolarHBondContact O-N 2.97Å; A543-E546 PolarHBondContact O-N 3.34Å; E546-K548 PolarHBondContact O-N 3.36Å; E546-R549 WeakPolarHBondContact O-CB 3.42Å; E546-R549 PolarHBondContact O-N 3.22Å; E546-R550 WeakPolarHBondContact O-CG 3.37Å; E546-R550 PolarHBondContact O-N 3.06Å; E546-R550 IonicContact OE1-CZ 3.58Å; E546-R550 VanDerWaalsContact OE1-CZ 3.27Å; E546-R550 IonicContact OE1-NE 2.76Å; E546-R550 PolarHBondContact OE1-NE 3.22Å; E546-R550 IonicContact OE1-NH2 2.94Å; E546-R550 PolarHBondContact OE1-NH2 3.02Å
547	W	97.3	Very high	95.7	Very high	194 Å²	194	112.6 Å²	112.6	74%	0.735	51%	0.513	S	S	*	.	H	α-helix	trans	-62.3	-43.3	177	-82.5	50.8	0	0	0	111.9	A543 R544 R549 R550 Y551	A543-W547 WeakPolarHBondContact O-CB 3.4Å; A543-W547 PolarHBondContact O-N 3.24Å; R544-W547 PolarHBondContact O-N 3.45Å; W547-R549 VanDerWaalsContact C-N 3.34Å; W547-R549 PolarHBondContact O-N 3.3Å; W547-R550 PolarHBondContact O-N 2.98Å; W547-Y551 VanDerWaalsContact O-CB 3.28Å; W547-Y551 WeakPolarHBondContact O-CB 3.34Å; W547-Y551 PolarHBondContact O-N 3.3Å
548	K	97.2	Very high	95.7	Very high	111 Å²	111	113 Å²	113	48%	0.483	51%	0.514	S	S	.	.	H	α-helix	trans	-57.9	-46.8	172.5	-78	174.4	-175.7	172.5	0	110.9	R544 D545 E546 R550 Y551 Y552	R544-K548 WeakPolarHBondContact O-CB 3.4Å; R544-K548 VanDerWaalsContact O-CG 3.28Å; R544-K548 WeakPolarHBondContact O-CG 3.17Å; R544-K548 PolarHBondContact O-N 3.34Å; D545-K548 PolarHBondContact O-N 2.95Å; D545-K548 IonicContact OD1-NZ 3.97Å; E546-K548 PolarHBondContact O-N 3.36Å; K548-R550 PolarHBondContact O-N 3.28Å; K548-Y551 PolarHBondContact O-N 3.03Å; K548-Y552 HydrophobicContact CB-CD2 4.21Å; K548-Y552 HydrophobicContact CB-CE2 4.14Å; K548-Y552 HydrophobicContact CG-CE2 4.47Å; K548-Y552 WeakPolarHBondContact O-CB 3.21Å; K548-Y552 WeakPolarHBondContact O-CD2 3.43Å; K548-Y552 PolarHBondContact O-N 3.39Å
549	R	97.6	Very high	95.7	Very high	157 Å²	157	112.4 Å²	112.4	59%	0.592	51%	0.511	S	S	*	.	H	α-helix	trans	-59.8	-46.4	179.4	-165.5	-172.5	-53.6	109.3	4.3	111.5	D545 E546 W547 S553	D545-R549 WeakPolarHBondContact O-CB 3.5Å; D545-R549 PolarHBondContact O-N 3.49Å; E546-R549 WeakPolarHBondContact O-CB 3.42Å; E546-R549 PolarHBondContact O-N 3.22Å; W547-R549 VanDerWaalsContact C-N 3.34Å; W547-R549 PolarHBondContact O-N 3.3Å; R549-S553 WeakPolarHBondContact O-CB 3.37Å; R549-S553 PolarHBondContact O-N 2.92Å; R549-S553 PolarHBondContact O-OG 3.49Å
550	R	97.1	Very high	95.7	Very high	164 Å²	164	108.8 Å²	108.8	62%	0.619	51%	0.505	S	S	*	.	H	α-helix	trans	-61.7	-46.8	175.8	-68.4	178.2	-175.9	-146.1	2.7	111.3	E546 W547 K548 S553 A554	E546-R550 WeakPolarHBondContact O-CG 3.37Å; E546-R550 PolarHBondContact O-N 3.06Å; E546-R550 IonicContact OE1-CZ 3.58Å; E546-R550 VanDerWaalsContact OE1-CZ 3.27Å; E546-R550 IonicContact OE1-NE 2.76Å; E546-R550 PolarHBondContact OE1-NE 3.22Å; E546-R550 IonicContact OE1-NH2 2.94Å; E546-R550 PolarHBondContact OE1-NH2 3.02Å; W547-R550 PolarHBondContact O-N 2.98Å; K548-R550 PolarHBondContact O-N 3.28Å; R550-S553 PolarHBondContact O-N 2.88Å; R550-A554 WeakPolarHBondContact O-CB 3.22Å; R550-A554 PolarHBondContact O-N 3.2Å
551	Y	97.5	Very high	95.7	Very high	134 Å²	134	106.5 Å²	106.5	53%	0.525	50%	0.503	S	S	.	.	H	α-helix	trans	-59.3	-49.8	177.2	170.8	-96.5	0	0	0	112.3	W547 K548 S553 A554 K555	W547-Y551 VanDerWaalsContact O-CB 3.28Å; W547-Y551 WeakPolarHBondContact O-CB 3.34Å; W547-Y551 PolarHBondContact O-N 3.3Å; K548-Y551 PolarHBondContact O-N 3.03Å; Y551-S553 VanDerWaalsContact C-N 3.33Å; Y551-S553 PolarHBondContact O-N 3.32Å; Y551-A554 PolarHBondContact O-N 3.09Å; Y551-K555 HydrophobicContact CE1-CD 3.94Å; Y551-K555 VanDerWaalsContact O-CB 3.29Å; Y551-K555 WeakPolarHBondContact O-CB 3.32Å; Y551-K555 PolarHBondContact O-N 3.29Å
552	Y	97.8	Very high	95.6	Very high	142 Å²	142	108.7 Å²	108.7	56%	0.557	51%	0.508	S	S	*	.	H	α-helix	trans	-67.5	-34.4	179.6	-74.4	-63.6	0	0	0	112.3	K548 K555 K556	K548-Y552 HydrophobicContact CB-CD2 4.21Å; K548-Y552 HydrophobicContact CB-CE2 4.14Å; K548-Y552 HydrophobicContact CG-CE2 4.47Å; K548-Y552 WeakPolarHBondContact O-CB 3.21Å; K548-Y552 WeakPolarHBondContact O-CD2 3.43Å; K548-Y552 PolarHBondContact O-N 3.39Å; Y552-K555 PolarHBondContact O-N 3.47Å; Y552-K556 WeakPolarHBondContact O-CB 3.45Å; Y552-K556 PolarHBondContact O-N 2.94Å
553	S	96.5	Very high	95.5	Very high	58 Å²	58	106.5 Å²	106.5	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-62.7	-47.3	173.6	-58.3	0	0	0	0	111.1	R549 R550 Y551 K556 Q557	R549-S553 WeakPolarHBondContact O-CB 3.37Å; R549-S553 PolarHBondContact O-N 2.92Å; R549-S553 PolarHBondContact O-OG 3.49Å; R550-S553 PolarHBondContact O-N 2.88Å; Y551-S553 VanDerWaalsContact C-N 3.33Å; Y551-S553 PolarHBondContact O-N 3.32Å; S553-K556 PolarHBondContact O-N 3.41Å; S553-Q557 WeakPolarHBondContact O-CG 3.37Å; S553-Q557 PolarHBondContact O-N 2.95Å
554	A	95.6	Very high	95.6	Very high	60 Å²	60	111.5 Å²	111.5	50%	0.496	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.2	0	0	0	0	0	111.9	R550 Y551 K556 Q557 A558	R550-A554 WeakPolarHBondContact O-CB 3.22Å; R550-A554 PolarHBondContact O-N 3.2Å; Y551-A554 PolarHBondContact O-N 3.09Å; A554-K556 VanDerWaalsContact C-N 3.28Å; A554-K556 PolarHBondContact O-N 2.76Å; A554-Q557 PolarHBondContact O-N 2.9Å; A554-Q557 VanDerWaalsContact O-N 3.11Å; A554-A558 PolarHBondContact O-N 2.87Å
555	K	94	Very high	95.6	Very high	120 Å²	120	109.4 Å²	109.4	52%	0.522	51%	0.514	S	S	.	.	H	α-helix	trans	-61.5	-34.9	176.8	-173.5	175.8	-176.7	174.9	0	112.6	Y551 Y552 P559	Y551-K555 HydrophobicContact CE1-CD 3.94Å; Y551-K555 VanDerWaalsContact O-CB 3.29Å; Y551-K555 WeakPolarHBondContact O-CB 3.32Å; Y551-K555 PolarHBondContact O-N 3.29Å; Y552-K555 PolarHBondContact O-N 3.47Å; K555-P559 VanDerWaalsContact O-CD 3.29Å; K555-P559 WeakPolarHBondContact O-CD 3.44Å
556	K	95.2	Very high	95.4	Very high	182 Å²	182	110.5 Å²	110.5	79%	0.791	52%	0.519	S	S	*	.	H	α-helix	trans	-68.6	-35.4	175.2	-172.3	178.6	-179.6	-177.6	0	111.8	Y552 S553 A554	Y552-K556 WeakPolarHBondContact O-CB 3.45Å; Y552-K556 PolarHBondContact O-N 2.94Å; S553-K556 PolarHBondContact O-N 3.41Å; A554-K556 VanDerWaalsContact C-N 3.28Å; A554-K556 PolarHBondContact O-N 2.76Å
557	Q	94.1	Very high	95.3	Very high	119 Å²	119	109 Å²	109	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-80.4	-27	178.5	-66.2	178.8	23.7	0	0	113.2	S553 A554 N560 L561	S553-Q557 WeakPolarHBondContact O-CG 3.37Å; S553-Q557 PolarHBondContact O-N 2.95Å; A554-Q557 PolarHBondContact O-N 2.9Å; A554-Q557 VanDerWaalsContact O-N 3.11Å; Q557-N560 PolarHBondContact O-N 2.94Å; Q557-N560 VanDerWaalsContact O-N 3.1Å; Q557-L561 HydrophobicContact CB-CD1 4.34Å; Q557-L561 PolarHBondContact O-N 3.4Å
558	A	93.8	Very high	95.3	Very high	34 Å²	34	105.3 Å²	105.3	28%	0.281	51%	0.513	S	S	.	.	H	α-helix	trans	-52.4	-47.8	-174.1	0	0	0	0	0	114.2	A554 N560 L561 E562	A554-A558 PolarHBondContact O-N 2.87Å; A558-N560 VanDerWaalsContact C-N 3.32Å; A558-N560 PolarHBondContact O-N 3.29Å; A558-L561 PolarHBondContact O-N 2.72Å; A558-E562 WeakPolarHBondContact O-CB 3.34Å; A558-E562 WeakPolarHBondContact O-CG 3.38Å; A558-E562 PolarHBondContact O-N 3.21Å
559	P	94.8	Very high	95	Very high	73 Å²	73	104.4 Å²	104.4	47%	0.474	51%	0.506	S	S	.	.	H	α-helix	trans	-62.6	-36	179	-23.5	34.1	0	0	0	114	K555 S563	K555-P559 VanDerWaalsContact O-CD 3.29Å; K555-P559 WeakPolarHBondContact O-CD 3.44Å; P559-S563 WeakPolarHBondContact O-CB 3.43Å; P559-S563 PolarHBondContact O-N 3.31Å; P559-S563 PolarHBondContact O-OG 3.07Å
560	N	94.3	Very high	94.8	Very high	97 Å²	97	98.5 Å²	98.5	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-68.2	-45.1	177.4	-178.4	-81.8	0	0	0	110.8	Q557 A558 E562 S563 R564	Q557-N560 PolarHBondContact O-N 2.94Å; Q557-N560 VanDerWaalsContact O-N 3.1Å; A558-N560 VanDerWaalsContact C-N 3.32Å; A558-N560 PolarHBondContact O-N 3.29Å; N560-E562 VanDerWaalsContact C-N 3.34Å; N560-S563 PolarHBondContact O-N 2.94Å; N560-R564 WeakPolarHBondContact O-CG 3.35Å; N560-R564 PolarHBondContact O-N 2.84Å; N560-R564 WeakPolarHBondContact OD1-CD 3.46Å
561	L	94.8	Very high	94.8	Very high	92 Å²	92	95.6 Å²	95.6	48%	0.482	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-40.2	176.5	-66.4	175	0	0	0	111.5	Q557 A558 R564 M565	Q557-L561 HydrophobicContact CB-CD1 4.34Å; Q557-L561 PolarHBondContact O-N 3.4Å; A558-L561 PolarHBondContact O-N 2.72Å; L561-R564 PolarHBondContact O-N 3.49Å; L561-M565 VanDerWaalsContact O-CB 3.27Å; L561-M565 WeakPolarHBondContact O-CB 3.49Å; L561-M565 PolarHBondContact O-N 3.01Å
562	E	91.7	Very high	94.7	Very high	112 Å²	112	93.8 Å²	93.8	52%	0.523	49%	0.49	S	S	.	.	H	α-helix	trans	-62.4	-44.8	174.8	-76.5	173.5	-168.2	0	0	112	A558 N560 M565 N566	A558-E562 WeakPolarHBondContact O-CB 3.34Å; A558-E562 WeakPolarHBondContact O-CG 3.38Å; A558-E562 PolarHBondContact O-N 3.21Å; N560-E562 VanDerWaalsContact C-N 3.34Å; E562-M565 PolarHBondContact O-N 3.15Å; E562-N566 WeakPolarHBondContact O-CB 3.34Å; E562-N566 VanDerWaalsContact O-CG 3.25Å; E562-N566 PolarHBondContact O-N 3.03Å; E562-N566 PolarHBondContact O-ND2 3.45Å
563	S	94.6	Very high	94.4	Very high	85 Å²	85	89.2 Å²	89.2	59%	0.594	47%	0.473	S	S	*	.	H	α-helix	trans	-64.5	-42.9	177.9	-65.4	0	0	0	0	111.9	P559 N560 N566 G567	P559-S563 WeakPolarHBondContact O-CB 3.43Å; P559-S563 PolarHBondContact O-N 3.31Å; P559-S563 PolarHBondContact O-OG 3.07Å; N560-S563 PolarHBondContact O-N 2.94Å; S563-N566 PolarHBondContact O-N 3.15Å; S563-G567 PolarHBondContact O-N 3.16Å
564	R	96.7	Very high	94.3	Very high	148 Å²	148	88 Å²	88	56%	0.558	47%	0.465	S	S	*	.	H	α-helix	trans	-62.8	-45.6	174.8	-74	176.3	59.7	-177.2	-1.9	112.1	N560 L561 N566 G567 H568	N560-R564 WeakPolarHBondContact O-CG 3.35Å; N560-R564 PolarHBondContact O-N 2.84Å; N560-R564 WeakPolarHBondContact OD1-CD 3.46Å; L561-R564 PolarHBondContact O-N 3.49Å; R564-N566 VanDerWaalsContact C-N 3.34Å; R564-N566 PolarHBondContact O-N 3.32Å; R564-G567 PolarHBondContact O-N 3.09Å; R564-H568 PolarHBondContact O-CD2 3.08Å; R564-H568 VanDerWaalsContact O-CD2 3.25Å; R564-H568 PolarHBondContact O-N 3.34Å
565	M	94	Very high	94.4	Very high	81 Å²	81	88.9 Å²	88.9	40%	0.399	46%	0.461	S	S	.	.	H	α-helix	trans	-61	-43.6	176.9	178.4	-175.9	56.9	0	0	111.4	L561 E562 G567 H568 R569	L561-M565 VanDerWaalsContact O-CB 3.27Å; L561-M565 WeakPolarHBondContact O-CB 3.49Å; L561-M565 PolarHBondContact O-N 3.01Å; E562-M565 PolarHBondContact O-N 3.15Å; M565-G567 VanDerWaalsContact C-N 3.35Å; M565-H568 PolarHBondContact O-N 3.4Å; M565-R569 VanDerWaalsContact CE-NH1 3.29Å; M565-R569 WeakPolarHBondContact O-CG 3.48Å; M565-R569 PolarHBondContact O-N 3.25Å; M565-R569 VanDerWaalsContact SD-CZ 3.57Å; M565-R569 PolarHBondContact SD-NH2 2.93Å
566	N	91.9	Very high	94.4	Very high	90 Å²	90	85.3 Å²	85.3	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-67.9	-35.3	176.9	-72.1	-14.2	0	0	0	112.1	E562 S563 R564 R569 G570	E562-N566 WeakPolarHBondContact O-CB 3.34Å; E562-N566 VanDerWaalsContact O-CG 3.25Å; E562-N566 PolarHBondContact O-N 3.03Å; E562-N566 PolarHBondContact O-ND2 3.45Å; S563-N566 PolarHBondContact O-N 3.15Å; R564-N566 VanDerWaalsContact C-N 3.34Å; R564-N566 PolarHBondContact O-N 3.32Å; N566-R569 PolarHBondContact O-N 2.96Å; N566-R569 PolarHBondContact OD1-NH1 3.25Å; N566-R569 VanDerWaalsContact OD1-NH1 3.08Å; N566-G570 PolarHBondContact O-N 3.12Å
567	G	94.9	Very high	94.4	Very high	35 Å²	35	82.2 Å²	82.2	36%	0.361	43%	0.431	S	S	.	.	H	α-helix	trans	-58	-54.4	170	0	0	0	0	0	111.7	S563 R564 M565 R569 G570 D571	S563-G567 PolarHBondContact O-N 3.16Å; R564-G567 PolarHBondContact O-N 3.09Å; M565-G567 VanDerWaalsContact C-N 3.35Å; G567-R569 VanDerWaalsContact C-N 3.28Å; G567-R569 PolarHBondContact O-N 3.48Å; G567-G570 CarbonylContact O-C 3.56Å; G567-G570 WeakPolarHBondContact O-CA 3.25Å; G567-G570 PolarHBondContact O-N 3.38Å; G567-D571 PolarHBondContact O-N 2.86Å
568	H	96.5	Very high	94.4	Very high	118 Å²	118	83.4 Å²	83.4	55%	0.546	43%	0.43	S	S	.	.	H	α-helix	trans	-59.3	-36.3	177.4	-65.3	-36.7	0	0	0	113.2	R564 M565 D571 L572	R564-H568 PolarHBondContact O-CD2 3.08Å; R564-H568 VanDerWaalsContact O-CD2 3.25Å; R564-H568 PolarHBondContact O-N 3.34Å; M565-H568 PolarHBondContact O-N 3.4Å; H568-D571 PolarHBondContact O-N 2.87Å; H568-L572 WeakPolarHBondContact O-CB 3.45Å; H568-L572 PolarHBondContact O-N 3.48Å
569	R	91.9	Very high	94.5	Very high	92 Å²	92	85 Å²	85	35%	0.347	43%	0.433	S	S	.	.	H	α-helix	trans	-63.2	-43.5	172	-75.1	175.3	178.1	149.6	-2.4	111.8	M565 N566 G567 L572 E573	M565-R569 VanDerWaalsContact CE-NH1 3.29Å; M565-R569 WeakPolarHBondContact O-CG 3.48Å; M565-R569 PolarHBondContact O-N 3.25Å; M565-R569 VanDerWaalsContact SD-CZ 3.57Å; M565-R569 PolarHBondContact SD-NH2 2.93Å; N566-R569 PolarHBondContact O-N 2.96Å; N566-R569 PolarHBondContact OD1-NH1 3.25Å; N566-R569 VanDerWaalsContact OD1-NH1 3.08Å; G567-R569 VanDerWaalsContact C-N 3.28Å; G567-R569 PolarHBondContact O-N 3.48Å; R569-L572 PolarHBondContact O-N 3Å; R569-E573 VanDerWaalsContact O-CB 3.22Å; R569-E573 WeakPolarHBondContact O-CB 3.18Å; R569-E573 PolarHBondContact O-N 3.04Å
570	G	93.6	Very high	94.4	Very high	33 Å²	33	81.8 Å²	81.8	34%	0.34	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-40.6	175.7	0	0	0	0	0	113	N566 G567 E573 S574	N566-G570 PolarHBondContact O-N 3.12Å; G567-G570 CarbonylContact O-C 3.56Å; G567-G570 WeakPolarHBondContact O-CA 3.25Å; G567-G570 PolarHBondContact O-N 3.38Å; G570-E573 PolarHBondContact O-N 3.23Å; G570-S574 WeakPolarHBondContact O-CB 3.42Å; G570-S574 PolarHBondContact O-N 3.14Å; G570-S574 PolarHBondContact O-OG 3.36Å
571	D	96.3	Very high	94.2	Very high	103 Å²	103	79.8 Å²	79.8	55%	0.551	41%	0.406	S	S	*	.	H	α-helix	trans	-63.9	-46.6	176.5	-65.3	-28.2	0	0	0	111.2	G567 H568 S574 L575	G567-D571 PolarHBondContact O-N 2.86Å; H568-D571 PolarHBondContact O-N 2.87Å; D571-S574 WeakPolarHBondContact O-CB 3.46Å; D571-S574 PolarHBondContact O-N 3.25Å; D571-L575 PolarHBondContact O-N 3.45Å
572	L	94.7	Very high	94	Very high	95 Å²	95	80.1 Å²	80.1	50%	0.497	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-46.6	176.5	179.7	60.5	0	0	0	111.6	H568 R569 S574 L575 I576	H568-L572 WeakPolarHBondContact O-CB 3.45Å; H568-L572 PolarHBondContact O-N 3.48Å; R569-L572 PolarHBondContact O-N 3Å; L572-S574 PolarHBondContact O-N 2.98Å; L572-L575 PolarHBondContact O-N 3.3Å; L572-L575 VanDerWaalsContact O-N 3.14Å; L572-I576 HydrophobicContact CD1-CD1 4.06Å; L572-I576 HydrophobicContact CD1-CG1 4.25Å; L572-I576 HydrophobicContact CG-CD1 3.92Å; L572-I576 WeakPolarHBondContact O-CG1 3.3Å; L572-I576 PolarHBondContact O-N 3.46Å
573	E	93	Very high	93.9	Very high	46 Å²	46	76.7 Å²	76.7	22%	0.215	40%	0.396	C	S	.	.	H	α-helix	trans	-59.8	-36.9	176.4	178.3	62.7	-169.8	0	0	111.5	R569 G570 R577 R604	R569-E573 VanDerWaalsContact O-CB 3.22Å; R569-E573 WeakPolarHBondContact O-CB 3.18Å; R569-E573 PolarHBondContact O-N 3.04Å; G570-E573 PolarHBondContact O-N 3.23Å; E573-R577 WeakPolarHBondContact O-CB 3.35Å; E573-R577 WeakPolarHBondContact O-CG 3.34Å; E573-R577 PolarHBondContact O-N 2.78Å; E573-R577 PolarHBondContact O-NE 3.04Å; E573-R577 IonicContact OE1-NE 2.71Å; E573-R604 WeakPolarHBondContact OE1-CD 3.34Å; E573-R604 IonicContact OE1-CZ 3.02Å; E573-R604 IonicContact OE1-NE 2.62Å; E573-R604 PolarHBondContact OE1-NE 3.32Å; E573-R604 WeakPolarHBondContact OE2-CD 3.47Å; E573-R604 VanDerWaalsContact OE2-CG 3.25Å; E573-R604 WeakPolarHBondContact OE2-CG 3.21Å
574	S	94.8	Very high	93.5	Very high	34 Å²	34	77.1 Å²	77.1	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-70.4	-40.4	175.8	-58.3	0	0	0	0	111.9	G570 D571 L572 R577 R578	G570-S574 WeakPolarHBondContact O-CB 3.42Å; G570-S574 PolarHBondContact O-N 3.14Å; G570-S574 PolarHBondContact O-OG 3.36Å; D571-S574 WeakPolarHBondContact O-CB 3.46Å; D571-S574 PolarHBondContact O-N 3.25Å; L572-S574 PolarHBondContact O-N 2.98Å; S574-R577 PolarHBondContact O-N 3.35Å; S574-R577 PolarHBondContact OG-NH2 2.95Å; S574-R577 VanDerWaalsContact OG-NH2 3.08Å; S574-R578 WeakPolarHBondContact O-CG 3.45Å; S574-R578 PolarHBondContact O-N 2.88Å
575	L	96	Very high	92.8	Very high	78 Å²	78	77.1 Å²	77.1	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-47.5	175.1	179.7	63.3	0	0	0	111.6	D571 L572 R577 R578 I579	D571-L575 PolarHBondContact O-N 3.45Å; L572-L575 PolarHBondContact O-N 3.3Å; L572-L575 VanDerWaalsContact O-N 3.14Å; L575-R577 VanDerWaalsContact C-N 3.33Å; L575-R577 PolarHBondContact O-N 3.01Å; L575-R578 PolarHBondContact O-N 3.02Å; L575-I579 HydrophobicContact CD1-CD1 4.12Å; L575-I579 HydrophobicContact CD1-CG1 4.4Å; L575-I579 HydrophobicContact CG-CD1 3.94Å; L575-I579 WeakPolarHBondContact O-CG1 3.47Å; L575-I579 PolarHBondContact O-N 3.49Å
576	I	94.5	Very high	92.1	Very high	44 Å²	44	76.3 Å²	76.3	23%	0.226	40%	0.395	C	S	.	.	H	α-helix	trans	-59.7	-45.3	177.4	-68	169	0	0	0	110.2	L572 R578 I579 I580 R604	L572-I576 HydrophobicContact CD1-CD1 4.06Å; L572-I576 HydrophobicContact CD1-CG1 4.25Å; L572-I576 HydrophobicContact CG-CD1 3.92Å; L572-I576 WeakPolarHBondContact O-CG1 3.3Å; L572-I576 PolarHBondContact O-N 3.46Å; I576-R578 PolarHBondContact O-N 3.34Å; I576-I579 PolarHBondContact O-N 3.09Å; I576-I580 HydrophobicContact CG2-CD1 3.65Å; I576-I580 HydrophobicContact CG2-CG1 4.36Å; I576-I580 VanDerWaalsContact O-CG1 3.29Å; I576-I580 WeakPolarHBondContact O-CG1 3.32Å; I576-I580 PolarHBondContact O-N 2.84Å; I576-R604 HydrophobicContact CG2-CB 4.21Å; I576-R604 HydrophobicContact CG2-CG 4.01Å
577	R	94.6	Very high	90.8	Very high	118 Å²	118	76.1 Å²	76.1	45%	0.445	41%	0.414	S	S	.	.	H	α-helix	trans	-59	-44.1	175.2	-84	-177.2	-70.3	139.8	-2.6	112.8	E573 S574 L575 I580 S581 R604	E573-R577 WeakPolarHBondContact O-CB 3.35Å; E573-R577 WeakPolarHBondContact O-CG 3.34Å; E573-R577 PolarHBondContact O-N 2.78Å; E573-R577 PolarHBondContact O-NE 3.04Å; E573-R577 IonicContact OE1-NE 2.71Å; S574-R577 PolarHBondContact O-N 3.35Å; S574-R577 PolarHBondContact OG-NH2 2.95Å; S574-R577 VanDerWaalsContact OG-NH2 3.08Å; L575-R577 VanDerWaalsContact C-N 3.33Å; L575-R577 PolarHBondContact O-N 3.01Å; R577-I580 PolarHBondContact O-N 3.27Å; R577-S581 WeakPolarHBondContact O-CB 3.35Å; R577-S581 PolarHBondContact O-N 3.44Å; R577-R604 VanDerWaalsContact CG-NH1 3.29Å
578	R	95.8	Very high	89.3	Confident	143 Å²	143	78.2 Å²	78.2	54%	0.54	42%	0.421	S	S	.	.	H	α-helix	trans	-61.3	-47.2	176.4	-75	-169.5	-56.3	-89.6	2.5	111.2	S574 L575 I576 I580 S581 T582	S574-R578 WeakPolarHBondContact O-CG 3.45Å; S574-R578 PolarHBondContact O-N 2.88Å; L575-R578 PolarHBondContact O-N 3.02Å; I576-R578 PolarHBondContact O-N 3.34Å; R578-I580 PolarHBondContact O-N 2.93Å; R578-S581 PolarHBondContact O-N 3.31Å; R578-T582 PolarHBondContact O-N 3.27Å; R578-T582 PolarHBondContact O-OG1 2.87Å
579	I	94	Very high	87.7	Confident	69 Å²	69	82.5 Å²	82.5	35%	0.354	44%	0.441	S	S	.	.	H	α-helix	trans	-60	-48.2	178.6	-66.7	165.4	0	0	0	110.8	L575 I576 S581 T582 L583 M600	L575-I579 HydrophobicContact CD1-CD1 4.12Å; L575-I579 HydrophobicContact CD1-CG1 4.4Å; L575-I579 HydrophobicContact CG-CD1 3.94Å; L575-I579 WeakPolarHBondContact O-CG1 3.47Å; L575-I579 PolarHBondContact O-N 3.49Å; I576-I579 PolarHBondContact O-N 3.09Å; I579-S581 VanDerWaalsContact C-N 3.3Å; I579-S581 PolarHBondContact O-N 3.47Å; I579-T582 PolarHBondContact O-N 3.15Å; I579-L583 HydrophobicContact CG2-CD1 3.93Å; I579-L583 HydrophobicContact CG2-CG 4.34Å; I579-L583 VanDerWaalsContact O-CG 3.3Å; I579-L583 WeakPolarHBondContact O-CG 3.49Å; I579-L583 PolarHBondContact O-N 3.27Å; I579-M600 HydrophobicContact CB-CE 4.49Å; I579-M600 HydrophobicContact CG2-CE 3.78Å; I579-M600 HydrophobicContact CG2-SD 4.23Å
580	I	92.9	Very high	87.1	Confident	5 Å²	5	80.1 Å²	80.1	3%	0.026	44%	0.438	C	S	.	.	H	α-helix	trans	-59.8	-42.6	178	-67.8	167.1	0	0	0	110.9	I576 R577 R578 L583 K584 M600 E601	I576-I580 HydrophobicContact CG2-CD1 3.65Å; I576-I580 HydrophobicContact CG2-CG1 4.36Å; I576-I580 VanDerWaalsContact O-CG1 3.29Å; I576-I580 WeakPolarHBondContact O-CG1 3.32Å; I576-I580 PolarHBondContact O-N 2.84Å; R577-I580 PolarHBondContact O-N 3.27Å; R578-I580 PolarHBondContact O-N 2.93Å; I580-L583 PolarHBondContact O-N 3.12Å; I580-K584 HydrophobicContact CG2-CD 4.13Å; I580-K584 WeakPolarHBondContact O-CB 3.37Å; I580-K584 WeakPolarHBondContact O-CG 3.35Å; I580-K584 PolarHBondContact O-N 3.39Å; I580-M600 HydrophobicContact CD1-CB 4.07Å; I580-M600 HydrophobicContact CG1-CB 3.83Å; I580-E601 HydrophobicContact CD1-CB 4.26Å
581	S	91	Very high	86.6	Confident	55 Å²	55	82.4 Å²	82.4	39%	0.385	45%	0.454	S	S	.	.	H	α-helix	trans	-64.7	-44.5	176.9	-178.5	0	0	0	0	111.7	R577 R578 I579 L583 K584 H585	R577-S581 WeakPolarHBondContact O-CB 3.35Å; R577-S581 PolarHBondContact O-N 3.44Å; R578-S581 PolarHBondContact O-N 3.31Å; I579-S581 VanDerWaalsContact C-N 3.3Å; I579-S581 PolarHBondContact O-N 3.47Å; S581-L583 VanDerWaalsContact C-N 3.32Å; S581-L583 PolarHBondContact O-N 3.34Å; S581-K584 PolarHBondContact O-N 3.06Å; S581-H585 PolarHBondContact O-CD2 3.39Å; S581-H585 PolarHBondContact O-N 2.81Å; S581-H585 PolarHBondContact OG-CD2 2.97Å
582	T	91.3	Very high	86.1	Confident	98 Å²	98	85 Å²	85	60%	0.601	46%	0.463	S	S	*	.	H	α-helix	trans	-60	-41.3	175.1	-57.9	0	0	0	0	111.8	R578 I579 H585 C586	R578-T582 PolarHBondContact O-N 3.27Å; R578-T582 PolarHBondContact O-OG1 2.87Å; I579-T582 PolarHBondContact O-N 3.15Å; T582-H585 CarbonylContact O-C 3.54Å; T582-H585 PolarHBondContact O-N 3.4Å; T582-C586 WeakPolarHBondContact O-CB 3.29Å; T582-C586 PolarHBondContact O-N 2.97Å
583	L	88.6	Confident	85.7	Confident	40 Å²	40	82.7 Å²	82.7	21%	0.209	45%	0.45	C	S	.	.	H	α-helix	trans	-66.2	-41.3	176.9	-68.5	171.4	0	0	0	112	I579 I580 S581 H585 C586 I593 L596 A597 M600	I579-L583 HydrophobicContact CG2-CD1 3.93Å; I579-L583 HydrophobicContact CG2-CG 4.34Å; I579-L583 VanDerWaalsContact O-CG 3.3Å; I579-L583 WeakPolarHBondContact O-CG 3.49Å; I579-L583 PolarHBondContact O-N 3.27Å; I580-L583 PolarHBondContact O-N 3.12Å; S581-L583 VanDerWaalsContact C-N 3.32Å; S581-L583 PolarHBondContact O-N 3.34Å; L583-H585 VanDerWaalsContact C-N 3.28Å; L583-H585 PolarHBondContact O-N 3.47Å; L583-C586 PolarHBondContact O-N 3.45Å; L583-I593 HydrophobicContact CB-CG2 4.26Å; L583-I593 HydrophobicContact CD2-CG2 4.1Å; L583-I593 WeakPolarHBondContact O-CG2 3.35Å; L583-L596 HydrophobicContact CD1-CD2 4.47Å; L583-L596 HydrophobicContact CD1-CG 4.49Å; L583-A597 HydrophobicContact CB-CB 3.92Å; L583-M600 HydrophobicContact CD1-SD 3.67Å
584	K	86.1	Confident	85.3	Confident	94 Å²	94	84.3 Å²	84.3	41%	0.409	46%	0.458	S	S	.	.	H	α-helix	trans	-68.1	-24.3	177.1	-74.4	-179	175.7	-175.9	0	114	I580 S581 A597	I580-K584 HydrophobicContact CG2-CD 4.13Å; I580-K584 WeakPolarHBondContact O-CB 3.37Å; I580-K584 WeakPolarHBondContact O-CG 3.35Å; I580-K584 PolarHBondContact O-N 3.39Å; S581-K584 PolarHBondContact O-N 3.06Å; K584-A597 HydrophobicContact CG-CB 3.9Å
585	H	83.3	Confident	85	Confident	148 Å²	148	87.3 Å²	87.3	69%	0.685	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	6.3	180	-59.4	-53.1	0	0	0	113.3	S581 T582 L583 G587	S581-H585 PolarHBondContact O-CD2 3.39Å; S581-H585 PolarHBondContact O-N 2.81Å; S581-H585 PolarHBondContact OG-CD2 2.97Å; T582-H585 CarbonylContact O-C 3.54Å; T582-H585 PolarHBondContact O-N 3.4Å; L583-H585 VanDerWaalsContact C-N 3.28Å; L583-H585 PolarHBondContact O-N 3.47Å; H585-G587 PolarHBondContact O-N 2.89Å; H585-G587 VanDerWaalsContact O-N 3.14Å
586	C	77.4	Confident	84.7	Confident	64 Å²	64	87.4 Å²	87.4	43%	0.432	47%	0.468	S	S	.	.	S	Bend	trans	-69.2	110.7	171.2	-165.4	0	0	0	0	106.8	T582 L583 T588	T582-C586 WeakPolarHBondContact O-CB 3.29Å; T582-C586 PolarHBondContact O-N 2.97Å; L583-C586 PolarHBondContact O-N 3.45Å; C586-T588 PolarHBondContact O-N 2.94Å
587	G	65.8	Low	84.5	Confident	86 Å²	86	85.3 Å²	85.3	89%	0.887	46%	0.458	S	S	*	.	S	Bend	trans	-66	26.2	-167.2	0	0	0	0	0	116.9	H585	H585-G587 PolarHBondContact O-N 2.89Å; H585-G587 VanDerWaalsContact O-N 3.14Å
588	T	63.3	Low	84.4	Confident	80 Å²	80	83.5 Å²	83.5	49%	0.491	45%	0.454	S	S	.	.			trans	-103.6	123.2	170.6	51	0	0	0	0	108.5	C586 S590 I593	C586-T588 PolarHBondContact O-N 2.94Å; T588-S590 PolarHBondContact O-N 3Å; T588-I593 WeakPolarHBondContact OG1-CD1 3.35Å
589	E	62.6	Low	84.3	Confident	208 Å²	208	81.6 Å²	81.6	97%	0.972	45%	0.451	S	S	*	.			trans	-66.6	33.4	171.8	-60.9	-172.4	162.3	0	0	112.9	A591	E589-A591 PolarHBondContact O-N 2.79Å; E589-A591 VanDerWaalsContact O-N 3.14Å
590	S	78.7	Confident	84.3	Confident	42 Å²	42	80.9 Å²	80.9	29%	0.294	45%	0.447	S	S	.	.			trans	-73.1	106.5	176.2	-179.2	0	0	0	0	109.1	T588 E592 I593 Q594	T588-S590 PolarHBondContact O-N 3Å; S590-E592 PolarHBondContact O-N 3.15Å; S590-E592 VanDerWaalsContact O-N 3.09Å; S590-I593 PolarHBondContact O-N 3.46Å; S590-Q594 PolarHBondContact O-N 3.02Å
591	A	82.9	Confident	84.4	Confident	81 Å²	81	82.7 Å²	82.7	67%	0.669	46%	0.456	S	S	*	.	H	α-helix	trans	-52.1	-30.3	175.6	0	0	0	0	0	112.6	E589 H595	E589-A591 PolarHBondContact O-N 2.79Å; E589-A591 VanDerWaalsContact O-N 3.14Å; A591-H595 WeakPolarHBondContact O-CB 3.46Å; A591-H595 PolarHBondContact O-N 2.95Å
592	E	85.8	Confident	84.6	Confident	158 Å²	158	86.4 Å²	86.4	74%	0.738	47%	0.465	S	S	*	.	H	α-helix	trans	-66.5	-41.8	177.6	-61.2	-177.9	169.1	0	0	112.5	S590 H595 L596	S590-E592 PolarHBondContact O-N 3.15Å; S590-E592 VanDerWaalsContact O-N 3.09Å; E592-H595 PolarHBondContact O-N 3.19Å; E592-L596 WeakPolarHBondContact O-CB 3.3Å; E592-L596 PolarHBondContact O-N 3.29Å
593	I	86.2	Confident	84.7	Confident	45 Å²	45	89.6 Å²	89.6	23%	0.231	47%	0.466	C	S	.	.	H	α-helix	trans	-67.2	-42	178.7	-63.4	178.3	0	0	0	110	L583 T588 S590 L596 A597	L583-I593 HydrophobicContact CB-CG2 4.26Å; L583-I593 HydrophobicContact CD2-CG2 4.1Å; L583-I593 WeakPolarHBondContact O-CG2 3.35Å; T588-I593 WeakPolarHBondContact OG1-CD1 3.35Å; S590-I593 PolarHBondContact O-N 3.46Å; I593-L596 PolarHBondContact O-N 3.45Å; I593-A597 PolarHBondContact O-N 3.46Å
594	Q	85.5	Confident	85	Confident	80 Å²	80	89.7 Å²	89.7	37%	0.374	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-44.6	177.3	-172.8	61.7	18.7	0	0	111.4	S590 L596 A597 E598	S590-Q594 PolarHBondContact O-N 3.02Å; Q594-L596 PolarHBondContact O-N 3.26Å; Q594-A597 PolarHBondContact O-N 3.45Å; Q594-E598 WeakPolarHBondContact O-CG 3.43Å; Q594-E598 PolarHBondContact O-N 3.36Å
595	H	89	Confident	85.4	Confident	97 Å²	97	88.3 Å²	88.3	45%	0.449	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-41.3	175.9	179.2	-104.7	0	0	0	112.3	A591 E592 A597 E598 Q599	A591-H595 WeakPolarHBondContact O-CB 3.46Å; A591-H595 PolarHBondContact O-N 2.95Å; E592-H595 PolarHBondContact O-N 3.19Å; H595-A597 PolarHBondContact O-N 2.9Å; H595-E598 PolarHBondContact O-N 2.95Å; H595-Q599 PolarHBondContact CE1-NE2 2.9Å; H595-Q599 WeakPolarHBondContact O-CG 3.43Å; H595-Q599 PolarHBondContact O-N 2.93Å
596	L	90.2	Very high	86	Confident	80 Å²	80	84.4 Å²	84.4	42%	0.419	45%	0.449	S	S	.	.	H	α-helix	trans	-60.8	-44.2	174.3	177.8	61.3	0	0	0	111.7	L583 E592 I593 Q594 E598 Q599 M600	L583-L596 HydrophobicContact CD1-CD2 4.47Å; L583-L596 HydrophobicContact CD1-CG 4.49Å; E592-L596 WeakPolarHBondContact O-CB 3.3Å; E592-L596 PolarHBondContact O-N 3.29Å; I593-L596 PolarHBondContact O-N 3.45Å; Q594-L596 PolarHBondContact O-N 3.26Å; L596-E598 VanDerWaalsContact C-N 3.31Å; L596-E598 PolarHBondContact O-N 2.91Å; L596-Q599 PolarHBondContact O-N 3.43Å; L596-M600 HydrophobicContact CD1-CG 4.28Å; L596-M600 HydrophobicContact CG-SD 4.42Å; L596-M600 WeakPolarHBondContact O-CG 3.45Å; L596-M600 PolarHBondContact O-N 3.42Å
597	A	89.6	Confident	86.7	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-61.1	-39.6	177.1	0	0	0	0	0	112.1	L583 K584 I593 Q594 H595 E601	L583-A597 HydrophobicContact CB-CB 3.92Å; K584-A597 HydrophobicContact CG-CB 3.9Å; I593-A597 PolarHBondContact O-N 3.46Å; Q594-A597 PolarHBondContact O-N 3.45Å; H595-A597 PolarHBondContact O-N 2.9Å; A597-E601 WeakPolarHBondContact O-CB 3.4Å; A597-E601 PolarHBondContact O-N 3.46Å
598	E	91.5	Very high	87.9	Confident	81 Å²	81	87.1 Å²	87.1	38%	0.379	43%	0.428	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174	-71.6	176.6	-167.4	0	0	112.7	Q594 H595 L596 E601 K602	Q594-E598 WeakPolarHBondContact O-CG 3.43Å; Q594-E598 PolarHBondContact O-N 3.36Å; H595-E598 PolarHBondContact O-N 2.95Å; L596-E598 VanDerWaalsContact C-N 3.31Å; L596-E598 PolarHBondContact O-N 2.91Å; E598-E601 PolarHBondContact O-N 2.87Å; E598-K602 WeakPolarHBondContact O-CG 3.45Å; E598-K602 PolarHBondContact O-N 3.01Å
599	Q	94.2	Very high	89.4	Confident	102 Å²	102	87.5 Å²	87.5	48%	0.477	43%	0.425	S	S	.	.	H	α-helix	trans	-63	-42.7	175.6	-74.8	-171.4	-31.2	0	0	111.8	H595 L596 K602 R603	H595-Q599 PolarHBondContact CE1-NE2 2.9Å; H595-Q599 WeakPolarHBondContact O-CG 3.43Å; H595-Q599 PolarHBondContact O-N 2.93Å; L596-Q599 PolarHBondContact O-N 3.43Å; Q599-K602 PolarHBondContact O-N 3.25Å; Q599-R603 PolarHBondContact O-N 3.46Å
600	M	93.9	Very high	90.9	Very high	55 Å²	55	82.7 Å²	82.7	27%	0.271	40%	0.402	S	S	.	.	H	α-helix	trans	-63.3	-41	175.3	-72.3	-171.8	70.5	0	0	112	I579 I580 L583 L596 R603 R604	I579-M600 HydrophobicContact CB-CE 4.49Å; I579-M600 HydrophobicContact CG2-CE 3.78Å; I579-M600 HydrophobicContact CG2-SD 4.23Å; I580-M600 HydrophobicContact CD1-CB 4.07Å; I580-M600 HydrophobicContact CG1-CB 3.83Å; L583-M600 HydrophobicContact CD1-SD 3.67Å; L596-M600 HydrophobicContact CD1-CG 4.28Å; L596-M600 HydrophobicContact CG-SD 4.42Å; L596-M600 WeakPolarHBondContact O-CG 3.45Å; L596-M600 PolarHBondContact O-N 3.42Å; M600-R603 PolarHBondContact O-N 3.02Å; M600-R604 PolarHBondContact O-N 3.16Å
601	E	94.6	Very high	91.4	Very high	42 Å²	42	86.1 Å²	86.1	20%	0.196	41%	0.41	C	S	.	.	H	α-helix	trans	-62.5	-46.9	175.2	-178.4	60.1	-140.9	0	0	111.5	I580 A597 E598 R603 R604 V605	I580-E601 HydrophobicContact CD1-CB 4.26Å; A597-E601 WeakPolarHBondContact O-CB 3.4Å; A597-E601 PolarHBondContact O-N 3.46Å; E598-E601 PolarHBondContact O-N 2.87Å; E601-R603 VanDerWaalsContact C-N 3.33Å; E601-R603 PolarHBondContact O-N 3.07Å; E601-R604 VanDerWaalsContact CD-CZ 3.5Å; E601-R604 WeakPolarHBondContact O-CB 3.49Å; E601-R604 PolarHBondContact O-N 3.09Å; E601-R604 IonicContact OE1-CZ 3.71Å; E601-R604 IonicContact OE1-NE 3.42Å; E601-R604 IonicContact OE1-NH1 3.76Å; E601-R604 PolarHBondContact OE1-NH1 2.92Å; E601-R604 IonicContact OE1-NH2 2.79Å; E601-R604 PolarHBondContact OE1-NH2 2.89Å; E601-R604 IonicContact OE2-CZ 3.38Å; E601-R604 VanDerWaalsContact OE2-CZ 3.23Å; E601-R604 IonicContact OE2-NH1 2.75Å; E601-R604 PolarHBondContact OE2-NH1 3.31Å; E601-R604 IonicContact OE2-NH2 3.7Å; E601-R604 PolarHBondContact OE2-NH2 3.14Å; E601-V605 WeakPolarHBondContact O-CG2 3.34Å; E601-V605 PolarHBondContact O-N 2.73Å
602	K	95.4	Very high	92	Very high	133 Å²	133	87.5 Å²	87.5	58%	0.578	40%	0.4	S	S	*	.	H	α-helix	trans	-57.4	-45.6	174.9	-73.4	170.5	-177.5	169.2	0	111.3	E598 Q599 R604 V605 V606	E598-K602 WeakPolarHBondContact O-CG 3.45Å; E598-K602 PolarHBondContact O-N 3.01Å; Q599-K602 PolarHBondContact O-N 3.25Å; K602-R604 VanDerWaalsContact C-N 3.33Å; K602-R604 PolarHBondContact O-N 3.23Å; K602-V605 PolarHBondContact O-N 3.44Å; K602-V606 WeakPolarHBondContact O-CG2 3.33Å; K602-V606 PolarHBondContact O-N 2.93Å
603	R	95	Very high	92.5	Very high	166 Å²	166	85 Å²	85	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-61.1	-40.4	177.2	179.6	58.7	64.1	-172.6	2.1	112.2	Q599 M600 E601 V606 T607	Q599-R603 PolarHBondContact O-N 3.46Å; M600-R603 PolarHBondContact O-N 3.02Å; E601-R603 VanDerWaalsContact C-N 3.33Å; E601-R603 PolarHBondContact O-N 3.07Å; R603-V606 PolarHBondContact O-N 2.81Å; R603-T607 PolarHBondContact O-N 3.5Å; R603-T607 PolarHBondContact O-OG1 2.85Å
604	R	94	Very high	92.9	Very high	42 Å²	42	85.6 Å²	85.6	16%	0.158	40%	0.403	C	S	.	.	H	α-helix	trans	-62.2	-47.5	176.7	-167.1	-167.8	82.5	-155.9	1.5	111.5	E573 I576 R577 M600 E601 K602 V606 T607 R608	E573-R604 WeakPolarHBondContact OE1-CD 3.34Å; E573-R604 IonicContact OE1-CZ 3.02Å; E573-R604 IonicContact OE1-NE 2.62Å; E573-R604 PolarHBondContact OE1-NE 3.32Å; E573-R604 WeakPolarHBondContact OE2-CD 3.47Å; E573-R604 VanDerWaalsContact OE2-CG 3.25Å; E573-R604 WeakPolarHBondContact OE2-CG 3.21Å; I576-R604 HydrophobicContact CG2-CB 4.21Å; I576-R604 HydrophobicContact CG2-CG 4.01Å; R577-R604 VanDerWaalsContact CG-NH1 3.29Å; M600-R604 PolarHBondContact O-N 3.16Å; E601-R604 VanDerWaalsContact CD-CZ 3.5Å; E601-R604 WeakPolarHBondContact O-CB 3.49Å; E601-R604 PolarHBondContact O-N 3.09Å; E601-R604 IonicContact OE1-CZ 3.71Å; E601-R604 IonicContact OE1-NE 3.42Å; E601-R604 IonicContact OE1-NH1 3.76Å; E601-R604 PolarHBondContact OE1-NH1 2.92Å; E601-R604 IonicContact OE1-NH2 2.79Å; E601-R604 PolarHBondContact OE1-NH2 2.89Å; E601-R604 IonicContact OE2-CZ 3.38Å; E601-R604 VanDerWaalsContact OE2-CZ 3.23Å; E601-R604 IonicContact OE2-NH1 2.75Å; E601-R604 PolarHBondContact OE2-NH1 3.31Å; E601-R604 IonicContact OE2-NH2 3.7Å; E601-R604 PolarHBondContact OE2-NH2 3.14Å; K602-R604 VanDerWaalsContact C-N 3.33Å; K602-R604 PolarHBondContact O-N 3.23Å; R604-V606 PolarHBondContact O-N 3.26Å; R604-T607 PolarHBondContact O-N 3.32Å; R604-R608 PolarHBondContact O-N 2.97Å
605	V	94.4	Very high	93.2	Very high	65 Å²	65	88.4 Å²	88.4	39%	0.394	42%	0.416	S	S	.	.	H	α-helix	trans	-60.4	-45.9	177.6	174.4	0	0	0	0	110.8	E601 K602 T607 R608 E609	E601-V605 WeakPolarHBondContact O-CG2 3.34Å; E601-V605 PolarHBondContact O-N 2.73Å; K602-V605 PolarHBondContact O-N 3.44Å; V605-T607 VanDerWaalsContact C-N 3.35Å; V605-T607 PolarHBondContact O-N 2.87Å; V605-R608 WeakPolarHBondContact O-CB 3.45Å; V605-R608 PolarHBondContact O-N 3.17Å; V605-E609 PolarHBondContact O-N 3.49Å
606	V	95.5	Very high	93.6	Very high	65 Å²	65	88.3 Å²	88.3	39%	0.394	42%	0.418	S	S	.	.	H	α-helix	trans	-56.3	-49.1	175.8	170	0	0	0	0	111.1	K602 R603 R604 R608 E609 E610	K602-V606 WeakPolarHBondContact O-CG2 3.33Å; K602-V606 PolarHBondContact O-N 2.93Å; R603-V606 PolarHBondContact O-N 2.81Å; R604-V606 PolarHBondContact O-N 3.26Å; V606-R608 VanDerWaalsContact C-N 3.27Å; V606-R608 PolarHBondContact O-N 3.43Å; V606-E609 PolarHBondContact O-N 3.28Å; V606-E609 VanDerWaalsContact O-N 3.15Å; V606-E610 HydrophobicContact CG1-CG 4.38Å; V606-E610 WeakPolarHBondContact O-CG 3.36Å; V606-E610 PolarHBondContact O-N 3.47Å
607	T	91.7	Very high	93.9	Very high	44 Å²	44	89.9 Å²	89.9	27%	0.27	43%	0.425	S	S	.	.	H	α-helix	trans	-60	-38.1	179.9	-50.4	0	0	0	0	111.9	R603 R604 V605 E610 Y611	R603-T607 PolarHBondContact O-N 3.5Å; R603-T607 PolarHBondContact O-OG1 2.85Å; R604-T607 PolarHBondContact O-N 3.32Å; V605-T607 VanDerWaalsContact C-N 3.35Å; V605-T607 PolarHBondContact O-N 2.87Å; T607-E610 PolarHBondContact O-N 3.19Å; T607-Y611 HydrophobicContact CG2-CD2 4.4Å; T607-Y611 HydrophobicContact CG2-CE2 3.7Å; T607-Y611 WeakPolarHBondContact O-CD2 3.49Å; T607-Y611 PolarHBondContact O-N 3.01Å
608	R	91.7	Very high	94.2	Very high	163 Å²	163	95.9 Å²	95.9	62%	0.615	46%	0.456	S	S	*	.	H	α-helix	trans	-65.7	-44.1	176.5	-176.5	178.7	-174.3	160.9	1	112.2	R604 V605 V606 E610 Y611 K612	R604-R608 PolarHBondContact O-N 2.97Å; V605-R608 WeakPolarHBondContact O-CB 3.45Å; V605-R608 PolarHBondContact O-N 3.17Å; V606-R608 VanDerWaalsContact C-N 3.27Å; V606-R608 PolarHBondContact O-N 3.43Å; R608-E610 VanDerWaalsContact C-N 3.34Å; R608-Y611 PolarHBondContact O-N 3.47Å; R608-K612 PolarHBondContact O-N 3.31Å; R608-K612 VanDerWaalsContact O-N 3.14Å
609	E	94.8	Very high	94.4	Very high	89 Å²	89	95.8 Å²	95.8	42%	0.416	47%	0.465	S	S	.	.	H	α-helix	trans	-68.6	-33.2	177.7	-65.2	-54.8	146.6	0	0	111.8	V605 V606 Y611 K612 L613	V605-E609 PolarHBondContact O-N 3.49Å; V606-E609 PolarHBondContact O-N 3.28Å; V606-E609 VanDerWaalsContact O-N 3.15Å; E609-Y611 VanDerWaalsContact C-N 3.35Å; E609-Y611 PolarHBondContact O-N 3.11Å; E609-K612 PolarHBondContact O-N 3.05Å; E609-K612 WeakPolarHBondContact OE2-CD 3.45Å; E609-K612 IonicContact OE2-NZ 3.47Å; E609-L613 WeakPolarHBondContact O-CB 3.4Å; E609-L613 PolarHBondContact O-N 3.47Å
610	E	93.7	Very high	94.6	Very high	107 Å²	107	95.8 Å²	95.8	50%	0.5	47%	0.467	S	S	.	.	H	α-helix	trans	-58.6	-44	171.6	-73.7	172.5	165.5	0	0	111.9	V606 T607 R608 L613 A614	V606-E610 HydrophobicContact CG1-CG 4.38Å; V606-E610 WeakPolarHBondContact O-CG 3.36Å; V606-E610 PolarHBondContact O-N 3.47Å; T607-E610 PolarHBondContact O-N 3.19Å; R608-E610 VanDerWaalsContact C-N 3.34Å; E610-L613 PolarHBondContact O-N 3.04Å; E610-A614 PolarHBondContact O-N 3.22Å
611	Y	90.6	Very high	94.7	Very high	114 Å²	114	97.4 Å²	97.4	45%	0.447	48%	0.481	S	S	.	.	H	α-helix	trans	-65.1	-41.7	175.5	-66.2	-44.3	0	0	0	112.7	T607 R608 E609 L613 A614 E615	T607-Y611 HydrophobicContact CG2-CD2 4.4Å; T607-Y611 HydrophobicContact CG2-CE2 3.7Å; T607-Y611 WeakPolarHBondContact O-CD2 3.49Å; T607-Y611 PolarHBondContact O-N 3.01Å; R608-Y611 PolarHBondContact O-N 3.47Å; E609-Y611 VanDerWaalsContact C-N 3.35Å; E609-Y611 PolarHBondContact O-N 3.11Å; Y611-L613 VanDerWaalsContact C-N 3.35Å; Y611-A614 PolarHBondContact O-N 3.4Å; Y611-E615 PolarHBondContact O-N 2.99Å
612	K	93.9	Very high	94.8	Very high	109 Å²	109	102.3 Å²	102.3	47%	0.474	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-40.7	178.1	-172	-178	178.1	-173	0	111.5	R608 E609 E615 I616	R608-K612 PolarHBondContact O-N 3.31Å; R608-K612 VanDerWaalsContact O-N 3.14Å; E609-K612 PolarHBondContact O-N 3.05Å; E609-K612 WeakPolarHBondContact OE2-CD 3.45Å; E609-K612 IonicContact OE2-NZ 3.47Å; K612-E615 PolarHBondContact O-N 3.33Å; K612-I616 HydrophobicContact CG-CD1 4.12Å; K612-I616 WeakPolarHBondContact O-CG1 3.49Å; K612-I616 PolarHBondContact O-N 2.93Å
613	L	96.6	Very high	94.9	Very high	105 Å²	105	97.6 Å²	97.6	55%	0.55	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-46.2	174.9	180	59.9	0	0	0	110.9	E609 E610 Y611 E615 I616 M617	E609-L613 WeakPolarHBondContact O-CB 3.4Å; E609-L613 PolarHBondContact O-N 3.47Å; E610-L613 PolarHBondContact O-N 3.04Å; Y611-L613 VanDerWaalsContact C-N 3.35Å; L613-E615 VanDerWaalsContact C-N 3.32Å; L613-E615 PolarHBondContact O-N 3.01Å; L613-I616 PolarHBondContact O-N 3.44Å; L613-M617 HydrophobicContact CD1-CG 4.29Å; L613-M617 HydrophobicContact CD1-SD 4.48Å; L613-M617 HydrophobicContact CG-CG 4.48Å; L613-M617 HydrophobicContact CG-SD 4.22Å; L613-M617 WeakPolarHBondContact O-CB 3.3Å; L613-M617 VanDerWaalsContact O-CG 3.29Å; L613-M617 WeakPolarHBondContact O-CG 3.39Å; L613-M617 PolarHBondContact O-N 3.45Å
614	A	94.3	Very high	94.9	Very high	58 Å²	58	94 Å²	94	48%	0.479	48%	0.479	S	S	.	.	H	α-helix	trans	-60.1	-40.1	177.1	0	0	0	0	0	112.7	E610 Y611 M617 L618	E610-A614 PolarHBondContact O-N 3.22Å; Y611-A614 PolarHBondContact O-N 3.4Å; A614-M617 PolarHBondContact O-N 2.95Å; A614-L618 WeakPolarHBondContact O-CB 3.33Å; A614-L618 PolarHBondContact O-N 2.84Å
615	E	93.1	Very high	95	Very high	140 Å²	140	101.5 Å²	101.5	65%	0.654	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-46.6	175.5	-176	177.5	-172.5	0	0	112.1	Y611 K612 L613 M617 L618 S619	Y611-E615 PolarHBondContact O-N 2.99Å; K612-E615 PolarHBondContact O-N 3.33Å; L613-E615 VanDerWaalsContact C-N 3.32Å; L613-E615 PolarHBondContact O-N 3.01Å; E615-M617 VanDerWaalsContact C-N 3.34Å; E615-M617 PolarHBondContact O-N 2.79Å; E615-L618 PolarHBondContact O-N 3.43Å; E615-S619 WeakPolarHBondContact O-CB 3.48Å; E615-S619 PolarHBondContact O-N 3Å
616	I	96.9	Very high	95.2	Very high	95 Å²	95	103 Å²	103	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-44.7	176.8	-69.8	166.8	0	0	0	110.4	K612 L613 L618 S619 L620	K612-I616 HydrophobicContact CG-CD1 4.12Å; K612-I616 WeakPolarHBondContact O-CG1 3.49Å; K612-I616 PolarHBondContact O-N 2.93Å; L613-I616 PolarHBondContact O-N 3.44Å; I616-L618 PolarHBondContact O-N 3.34Å; I616-S619 PolarHBondContact O-N 3.41Å; I616-L620 VanDerWaalsContact O-CB 3.31Å; I616-L620 WeakPolarHBondContact O-CB 3.29Å; I616-L620 PolarHBondContact O-N 3.02Å
617	M	97.1	Very high	95.2	Very high	112 Å²	112	108.9 Å²	108.9	55%	0.552	53%	0.528	S	S	*	.	H	α-helix	trans	-59.8	-44.5	177.3	-75.2	-178.3	65.6	0	0	112	L613 A614 E615 L620 T621	L613-M617 HydrophobicContact CD1-CG 4.29Å; L613-M617 HydrophobicContact CD1-SD 4.48Å; L613-M617 HydrophobicContact CG-CG 4.48Å; L613-M617 HydrophobicContact CG-SD 4.22Å; L613-M617 WeakPolarHBondContact O-CB 3.3Å; L613-M617 VanDerWaalsContact O-CG 3.29Å; L613-M617 WeakPolarHBondContact O-CG 3.39Å; L613-M617 PolarHBondContact O-N 3.45Å; A614-M617 PolarHBondContact O-N 2.95Å; E615-M617 VanDerWaalsContact C-N 3.34Å; E615-M617 PolarHBondContact O-N 2.79Å; M617-L620 PolarHBondContact O-N 3.08Å; M617-T621 WeakPolarHBondContact O-CB 3.38Å; M617-T621 PolarHBondContact O-N 3.03Å; M617-T621 PolarHBondContact O-OG1 3.44Å
618	L	94.4	Very high	95.4	Very high	126 Å²	126	109.4 Å²	109.4	66%	0.66	53%	0.534	S	S	*	.	H	α-helix	trans	-64.5	-43.8	177.5	-177.9	62.3	0	0	0	111.6	A614 E615 I616 T621 K622	A614-L618 WeakPolarHBondContact O-CB 3.33Å; A614-L618 PolarHBondContact O-N 2.84Å; E615-L618 PolarHBondContact O-N 3.43Å; I616-L618 PolarHBondContact O-N 3.34Å; L618-T621 PolarHBondContact O-N 3.31Å; L618-K622 PolarHBondContact O-N 3.25Å
619	S	97.1	Very high	95.7	Very high	80 Å²	80	106.3 Å²	106.3	56%	0.559	53%	0.526	S	S	*	.	H	α-helix	trans	-61.2	-47.2	177.1	-175.4	0	0	0	0	111.8	E615 I616 T621 K622 A623	E615-S619 WeakPolarHBondContact O-CB 3.48Å; E615-S619 PolarHBondContact O-N 3Å; I616-S619 PolarHBondContact O-N 3.41Å; S619-T621 PolarHBondContact O-N 3.46Å; S619-K622 PolarHBondContact O-N 3.2Å; S619-A623 WeakPolarHBondContact O-CB 3.36Å; S619-A623 PolarHBondContact O-N 3.11Å
620	L	97.3	Very high	95.8	Very high	102 Å²	102	104.9 Å²	104.9	53%	0.534	53%	0.529	S	S	.	.	H	α-helix	trans	-61.5	-45.2	176.7	179.3	60.1	0	0	0	111.4	I616 M617 K622 A623 I624	I616-L620 VanDerWaalsContact O-CB 3.31Å; I616-L620 WeakPolarHBondContact O-CB 3.29Å; I616-L620 PolarHBondContact O-N 3.02Å; M617-L620 PolarHBondContact O-N 3.08Å; L620-K622 VanDerWaalsContact C-N 3.31Å; L620-K622 PolarHBondContact O-N 3.22Å; L620-A623 PolarHBondContact O-N 3.14Å; L620-A623 VanDerWaalsContact O-N 3.13Å; L620-I624 HydrophobicContact CD1-CD1 4.1Å; L620-I624 HydrophobicContact CD1-CG1 4.2Å; L620-I624 HydrophobicContact CG-CD1 3.92Å; L620-I624 HydrophobicContact CG-CG1 4.45Å; L620-I624 WeakPolarHBondContact O-CG1 3.41Å; L620-I624 PolarHBondContact O-N 3.46Å
621	T	96.1	Very high	95.9	Very high	89 Å²	89	104.8 Å²	104.8	55%	0.546	53%	0.529	S	S	.	.	H	α-helix	trans	-58.4	-43.8	177.4	-58.8	0	0	0	0	111.4	M617 L618 S619 R625	M617-T621 WeakPolarHBondContact O-CB 3.38Å; M617-T621 PolarHBondContact O-N 3.03Å; M617-T621 PolarHBondContact O-OG1 3.44Å; L618-T621 PolarHBondContact O-N 3.31Å; S619-T621 PolarHBondContact O-N 3.46Å; T621-R625 PolarHBondContact O-N 2.83Å; T621-R625 VanDerWaalsContact O-N 3.1Å
622	K	96.7	Very high	96.2	Very high	144 Å²	144	102.8 Å²	102.8	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-63.6	-43.6	175.4	-174.1	-179.8	178.7	-176.6	0	111.6	L618 S619 L620 R625 L626	L618-K622 PolarHBondContact O-N 3.25Å; S619-K622 PolarHBondContact O-N 3.2Å; L620-K622 VanDerWaalsContact C-N 3.31Å; L620-K622 PolarHBondContact O-N 3.22Å; K622-R625 PolarHBondContact O-N 3.08Å; K622-L626 HydrophobicContact CG-CD1 4.18Å; K622-L626 WeakPolarHBondContact O-CG 3.3Å; K622-L626 PolarHBondContact O-N 3.44Å
623	A	97.3	Very high	96.3	Very high	34 Å²	34	102.4 Å²	102.4	28%	0.281	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-45.4	178.8	0	0	0	0	0	112.2	S619 L620 R625 L626 R627	S619-A623 WeakPolarHBondContact O-CB 3.36Å; S619-A623 PolarHBondContact O-N 3.11Å; L620-A623 PolarHBondContact O-N 3.14Å; L620-A623 VanDerWaalsContact O-N 3.13Å; A623-R625 VanDerWaalsContact C-N 3.33Å; A623-R625 PolarHBondContact O-N 2.93Å; A623-L626 PolarHBondContact O-N 3.45Å; A623-R627 WeakPolarHBondContact O-CB 2.95Å; A623-R627 VanDerWaalsContact O-CG 3.31Å; A623-R627 WeakPolarHBondContact O-CG 3.48Å; A623-R627 PolarHBondContact O-N 2.96Å
624	I	95.9	Very high	96.3	Very high	92 Å²	92	98.7 Å²	98.7	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-56.6	-49.4	175	-69.1	167.2	0	0	0	109.7	L620 L626 R627 S628	L620-I624 HydrophobicContact CD1-CD1 4.1Å; L620-I624 HydrophobicContact CD1-CG1 4.2Å; L620-I624 HydrophobicContact CG-CD1 3.92Å; L620-I624 HydrophobicContact CG-CG1 4.45Å; L620-I624 WeakPolarHBondContact O-CG1 3.41Å; L620-I624 PolarHBondContact O-N 3.46Å; I624-L626 PolarHBondContact O-N 3.04Å; I624-R627 PolarHBondContact O-N 2.92Å; I624-R627 VanDerWaalsContact O-N 3.16Å; I624-S628 PolarHBondContact O-N 3.3Å; I624-S628 PolarHBondContact O-OG 3.21Å; I624-S628 VanDerWaalsContact O-OG 3.13Å
625	R	97	Very high	96.4	Very high	198 Å²	198	102 Å²	102	75%	0.747	52%	0.515	S	S	*	.	H	α-helix	trans	-61.5	-42.3	-179.4	-169.8	169.4	-175.8	113.8	0.8	112.8	T621 K622 A623 Q629	T621-R625 PolarHBondContact O-N 2.83Å; T621-R625 VanDerWaalsContact O-N 3.1Å; K622-R625 PolarHBondContact O-N 3.08Å; A623-R625 VanDerWaalsContact C-N 3.33Å; A623-R625 PolarHBondContact O-N 2.93Å; R625-Q629 WeakPolarHBondContact O-CB 3.46Å; R625-Q629 PolarHBondContact O-N 3.19Å
626	L	96.8	Very high	96.5	Very high	98 Å²	98	101.2 Å²	101.2	51%	0.513	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-38	176	-70.8	173.4	0	0	0	112	K622 A623 I624 Q629 A630	K622-L626 HydrophobicContact CG-CD1 4.18Å; K622-L626 WeakPolarHBondContact O-CG 3.3Å; K622-L626 PolarHBondContact O-N 3.44Å; A623-L626 PolarHBondContact O-N 3.45Å; I624-L626 PolarHBondContact O-N 3.04Å; L626-Q629 PolarHBondContact O-N 3.47Å; L626-A630 WeakPolarHBondContact O-CB 3.34Å; L626-A630 PolarHBondContact O-N 3.38Å
627	R	96.2	Very high	96.4	Very high	188 Å²	188	102 Å²	102	71%	0.709	52%	0.52	S	S	*	.	H	α-helix	trans	-64.9	-48.1	174.6	-72.9	178.1	-166.3	-81.3	1.9	111.6	A623 I624 Q629 A630 E631	A623-R627 WeakPolarHBondContact O-CB 2.95Å; A623-R627 VanDerWaalsContact O-CG 3.31Å; A623-R627 WeakPolarHBondContact O-CG 3.48Å; A623-R627 PolarHBondContact O-N 2.96Å; I624-R627 PolarHBondContact O-N 2.92Å; I624-R627 VanDerWaalsContact O-N 3.16Å; R627-Q629 VanDerWaalsContact C-N 3.27Å; R627-Q629 PolarHBondContact O-N 2.71Å; R627-A630 PolarHBondContact O-N 2.75Å; R627-A630 VanDerWaalsContact O-N 3.17Å; R627-E631 WeakPolarHBondContact O-CB 3.49Å; R627-E631 PolarHBondContact O-N 3.24Å
628	S	95.9	Very high	96.3	Very high	55 Å²	55	101.3 Å²	101.3	39%	0.385	52%	0.518	S	S	.	.	H	α-helix	trans	-60.5	-38.2	176.9	-58.2	0	0	0	0	111.8	I624 E631 T632	I624-S628 PolarHBondContact O-N 3.3Å; I624-S628 PolarHBondContact O-OG 3.21Å; I624-S628 VanDerWaalsContact O-OG 3.13Å; S628-E631 PolarHBondContact O-N 3.43Å; S628-T632 WeakPolarHBondContact O-CG2 3.45Å; S628-T632 PolarHBondContact O-N 3.07Å; S628-T632 PolarHBondContact O-OG1 3.42Å
629	Q	97.3	Very high	96.3	Very high	98 Å²	98	98.1 Å²	98.1	46%	0.458	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-50.7	172.9	179.9	172.6	-5	0	0	111.4	R625 L626 R627 E631 T632 E633	R625-Q629 WeakPolarHBondContact O-CB 3.46Å; R625-Q629 PolarHBondContact O-N 3.19Å; L626-Q629 PolarHBondContact O-N 3.47Å; R627-Q629 VanDerWaalsContact C-N 3.27Å; R627-Q629 PolarHBondContact O-N 2.71Å; Q629-E631 PolarHBondContact O-N 3.35Å; Q629-T632 PolarHBondContact O-N 2.62Å; Q629-T632 VanDerWaalsContact O-N 3.11Å; Q629-T632 PolarHBondContact O-OG1 2.91Å; Q629-E633 WeakPolarHBondContact CG-OE1 3.29Å; Q629-E633 PolarHBondContact NE2-OE1 3.23Å; Q629-E633 WeakPolarHBondContact O-CG 3.49Å; Q629-E633 PolarHBondContact O-N 3.28Å
630	A	97.3	Very high	96.1	Very high	58 Å²	58	97.1 Å²	97.1	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-59.6	-35.2	177.4	0	0	0	0	0	112.5	L626 R627 E633 G634	L626-A630 WeakPolarHBondContact O-CB 3.34Å; L626-A630 PolarHBondContact O-N 3.38Å; R627-A630 PolarHBondContact O-N 2.75Å; R627-A630 VanDerWaalsContact O-N 3.17Å; A630-E633 PolarHBondContact O-N 2.89Å; A630-G634 PolarHBondContact O-N 2.92Å
631	E	96.9	Very high	95.9	Very high	105 Å²	105	96.4 Å²	96.4	49%	0.491	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-41.8	174.9	-169.3	-167.2	162.6	0	0	111.9	R627 S628 Q629 G634 R635	R627-E631 WeakPolarHBondContact O-CB 3.49Å; R627-E631 PolarHBondContact O-N 3.24Å; S628-E631 PolarHBondContact O-N 3.43Å; Q629-E631 PolarHBondContact O-N 3.35Å; E631-G634 PolarHBondContact O-N 3.41Å; E631-R635 VanDerWaalsContact CD-NH1 3.3Å; E631-R635 PolarHBondContact O-N 2.92Å; E631-R635 IonicContact OE1-CZ 3.39Å; E631-R635 IonicContact OE1-NH1 3.76Å; E631-R635 PolarHBondContact OE1-NH1 3.07Å; E631-R635 IonicContact OE1-NH2 2.78Å
632	T	95.7	Very high	95.6	Very high	72 Å²	72	96.4 Å²	96.4	44%	0.442	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-40.9	173.9	56.4	0	0	0	0	112.4	S628 Q629 R635 L636	S628-T632 WeakPolarHBondContact O-CG2 3.45Å; S628-T632 PolarHBondContact O-N 3.07Å; S628-T632 PolarHBondContact O-OG1 3.42Å; Q629-T632 PolarHBondContact O-N 2.62Å; Q629-T632 VanDerWaalsContact O-N 3.11Å; Q629-T632 PolarHBondContact O-OG1 2.91Å; T632-R635 PolarHBondContact O-N 3.5Å; T632-L636 WeakPolarHBondContact O-CB 3.45Å; T632-L636 PolarHBondContact O-N 2.91Å
633	E	96.7	Very high	95.1	Very high	101 Å²	101	95 Å²	95	47%	0.472	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-41.7	175.3	-69.5	172.1	-169.3	0	0	110.7	Q629 A630 L636 L637	Q629-E633 WeakPolarHBondContact CG-OE1 3.29Å; Q629-E633 PolarHBondContact NE2-OE1 3.23Å; Q629-E633 WeakPolarHBondContact O-CG 3.49Å; Q629-E633 PolarHBondContact O-N 3.28Å; A630-E633 PolarHBondContact O-N 2.89Å; E633-L636 PolarHBondContact O-N 3.13Å; E633-L637 VanDerWaalsContact O-CG 3.29Å; E633-L637 WeakPolarHBondContact O-CG 3.33Å; E633-L637 PolarHBondContact O-N 3.39Å
634	G	97	Very high	94.7	Very high	27 Å²	27	100.3 Å²	100.3	28%	0.278	49%	0.494	S	S	.	.	H	α-helix	trans	-61.8	-43.2	174.6	0	0	0	0	0	113.2	A630 E631 L637 N638	A630-G634 PolarHBondContact O-N 2.92Å; E631-G634 PolarHBondContact O-N 3.41Å; G634-L637 PolarHBondContact O-N 3.05Å; G634-N638 PolarHBondContact O-N 3Å
635	R	95.6	Very high	94.2	Very high	127 Å²	127	103.9 Å²	103.9	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-44.6	172.8	-80.6	-169	-73.7	-98.2	-6.3	112.3	E631 T632 L637 N638 A639	E631-R635 VanDerWaalsContact CD-NH1 3.3Å; E631-R635 PolarHBondContact O-N 2.92Å; E631-R635 IonicContact OE1-CZ 3.39Å; E631-R635 IonicContact OE1-NH1 3.76Å; E631-R635 PolarHBondContact OE1-NH1 3.07Å; E631-R635 IonicContact OE1-NH2 2.78Å; T632-R635 PolarHBondContact O-N 3.5Å; R635-L637 VanDerWaalsContact C-N 3.31Å; R635-L637 PolarHBondContact O-N 3.41Å; R635-N638 PolarHBondContact O-N 3.34Å; R635-A639 WeakPolarHBondContact O-CB 3.47Å; R635-A639 PolarHBondContact O-N 2.97Å
636	L	95.4	Very high	93.4	Very high	124 Å²	124	96.5 Å²	96.5	65%	0.649	49%	0.487	S	S	*	.	H	α-helix	trans	-61.4	-42.2	178	-176.5	67	0	0	0	111.1	T632 E633 A639 E640	T632-L636 WeakPolarHBondContact O-CB 3.45Å; T632-L636 PolarHBondContact O-N 2.91Å; E633-L636 PolarHBondContact O-N 3.13Å; L636-A639 PolarHBondContact O-N 3.22Å; L636-E640 WeakPolarHBondContact O-CB 3.41Å; L636-E640 PolarHBondContact O-N 2.89Å
637	L	95.6	Very high	92.5	Very high	112 Å²	112	96.5 Å²	96.5	59%	0.586	48%	0.484	S	S	*	.	H	α-helix	trans	-65.7	-40.4	176	-70.6	173.2	0	0	0	112.4	E633 G634 R635 E640 L641	E633-L637 VanDerWaalsContact O-CG 3.29Å; E633-L637 WeakPolarHBondContact O-CG 3.33Å; E633-L637 PolarHBondContact O-N 3.39Å; G634-L637 PolarHBondContact O-N 3.05Å; R635-L637 VanDerWaalsContact C-N 3.31Å; R635-L637 PolarHBondContact O-N 3.41Å; L637-E640 PolarHBondContact O-N 2.87Å; L637-L641 WeakPolarHBondContact O-CG 3.48Å; L637-L641 PolarHBondContact O-N 3.28Å
638	N	95	Very high	91.4	Very high	97 Å²	97	92 Å²	92	52%	0.519	47%	0.473	S	S	.	.	H	α-helix	trans	-64.5	-45.5	175.6	-74.2	-19	0	0	0	111.7	G634 R635 E640 L641 D642	G634-N638 PolarHBondContact O-N 3Å; R635-N638 PolarHBondContact O-N 3.34Å; N638-E640 VanDerWaalsContact C-N 3.28Å; N638-E640 PolarHBondContact O-N 2.94Å; N638-L641 WeakPolarHBondContact O-CB 3.46Å; N638-L641 PolarHBondContact O-N 3.4Å; N638-L641 VanDerWaalsContact O-N 3.11Å; N638-D642 PolarHBondContact O-N 3.42Å
639	A	92.9	Very high	90.2	Very high	60 Å²	60	93 Å²	93	50%	0.496	48%	0.48	S	S	.	.	H	α-helix	trans	-60	-39.4	175.6	0	0	0	0	0	112	R635 L636 D642 R643	R635-A639 WeakPolarHBondContact O-CB 3.47Å; R635-A639 PolarHBondContact O-N 2.97Å; L636-A639 PolarHBondContact O-N 3.22Å; A639-D642 PolarHBondContact O-N 2.9Å; A639-R643 WeakPolarHBondContact O-CB 3.22Å; A639-R643 PolarHBondContact O-N 3.13Å
640	E	93.2	Very high	88.7	Confident	58 Å²	58	93.9 Å²	93.9	27%	0.271	49%	0.488	S	S	.	.	H	α-helix	trans	-66.5	-38.6	174.2	173.5	61.4	-168	0	0	112.3	L636 L637 N638 R643 R644	L636-E640 WeakPolarHBondContact O-CB 3.41Å; L636-E640 PolarHBondContact O-N 2.89Å; L637-E640 PolarHBondContact O-N 2.87Å; N638-E640 VanDerWaalsContact C-N 3.28Å; N638-E640 PolarHBondContact O-N 2.94Å; E640-R643 IonicContact OE1-CZ 2.67Å; E640-R643 IonicContact OE1-NE 3.79Å; E640-R643 IonicContact OE1-NH2 3.72Å; E640-R643 PolarHBondContact OE1-NH2 3Å; E640-R643 IonicContact OE2-CZ 2.69Å; E640-R643 VanDerWaalsContact OE2-CZ 3.27Å; E640-R643 IonicContact OE2-NE 3.57Å; E640-R643 PolarHBondContact OE2-NE 3.01Å; E640-R643 IonicContact OE2-NH2 3.96Å; E640-R643 PolarHBondContact OE2-NH2 3.23Å; E640-R644 WeakPolarHBondContact O-CB 3.46Å; E640-R644 VanDerWaalsContact O-CG 3.3Å; E640-R644 WeakPolarHBondContact O-CG 3.21Å; E640-R644 PolarHBondContact O-N 2.84Å; E640-R644 IonicContact OE1-CZ 2.78Å; E640-R644 IonicContact OE1-NE 3.59Å; E640-R644 PolarHBondContact OE1-NE 2.88Å; E640-R644 IonicContact OE1-NH2 3.14Å; E640-R644 PolarHBondContact OE1-NH2 3.41Å
641	L	93	Very high	87.1	Confident	88 Å²	88	93.4 Å²	93.4	46%	0.461	48%	0.479	S	S	.	.	H	α-helix	trans	-66.5	-41.9	174.2	-75.2	175.3	0	0	0	112	L637 N638 R644 R645	L637-L641 WeakPolarHBondContact O-CG 3.48Å; L637-L641 PolarHBondContact O-N 3.28Å; N638-L641 WeakPolarHBondContact O-CB 3.46Å; N638-L641 PolarHBondContact O-N 3.4Å; N638-L641 VanDerWaalsContact O-N 3.11Å; L641-R644 CarbonylContact O-C 3.57Å; L641-R644 PolarHBondContact O-N 3.47Å; L641-R645 WeakPolarHBondContact O-CB 3.32Å; L641-R645 VanDerWaalsContact O-CG 3.29Å; L641-R645 WeakPolarHBondContact O-CG 3.39Å; L641-R645 PolarHBondContact O-N 3.23Å
642	D	90.1	Very high	85.6	Confident	89 Å²	89	94.6 Å²	94.6	48%	0.476	48%	0.482	S	S	.	.	H	α-helix	trans	-68.1	-39.2	178.1	-70.4	-27.1	0	0	0	111.3	N638 A639 R644 R645 G646	N638-D642 PolarHBondContact O-N 3.42Å; A639-D642 PolarHBondContact O-N 2.9Å; D642-R644 VanDerWaalsContact C-N 3.35Å; D642-R644 PolarHBondContact O-N 3.46Å; D642-R645 PolarHBondContact O-N 2.95Å; D642-R645 IonicContact OD1-CZ 3.02Å; D642-R645 IonicContact OD1-NH1 3.13Å; D642-R645 PolarHBondContact OD1-NH1 3.49Å; D642-G646 PolarHBondContact O-N 3.46Å
643	R	87.3	Confident	84.1	Confident	115 Å²	115	95.5 Å²	95.5	43%	0.434	49%	0.492	S	S	.	.	H	α-helix	trans	-55.8	-48.8	168.8	-170.4	-173.4	68.4	70.5	4.6	111.1	A639 E640 R645 G646 E647	A639-R643 WeakPolarHBondContact O-CB 3.22Å; A639-R643 PolarHBondContact O-N 3.13Å; E640-R643 IonicContact OE1-CZ 2.67Å; E640-R643 IonicContact OE1-NE 3.79Å; E640-R643 IonicContact OE1-NH2 3.72Å; E640-R643 PolarHBondContact OE1-NH2 3Å; E640-R643 IonicContact OE2-CZ 2.69Å; E640-R643 VanDerWaalsContact OE2-CZ 3.27Å; E640-R643 IonicContact OE2-NE 3.57Å; E640-R643 PolarHBondContact OE2-NE 3.01Å; E640-R643 IonicContact OE2-NH2 3.96Å; E640-R643 PolarHBondContact OE2-NH2 3.23Å; R643-R645 PolarHBondContact O-N 2.97Å; R643-G646 PolarHBondContact O-N 2.73Å; R643-E647 IonicContact CZ-OE1 3.81Å; R643-E647 IonicContact CZ-OE2 3.23Å; R643-E647 IonicContact NH1-OE1 3.6Å; R643-E647 PolarHBondContact NH1-OE1 3.43Å; R643-E647 IonicContact NH1-OE2 2.65Å; R643-E647 PolarHBondContact NH1-OE2 3.28Å; R643-E647 VanDerWaalsContact NH1-OE2 3.07Å; R643-E647 WeakPolarHBondContact O-CG 3.34Å; R643-E647 PolarHBondContact O-N 2.91Å
644	R	88.5	Confident	82.4	Confident	145 Å²	145	92.2 Å²	92.2	55%	0.547	48%	0.478	S	S	.	.	H	α-helix	trans	-65.9	-33.6	176.9	-73.5	-179.8	-171.6	-149.7	2.1	113.4	E640 L641 D642 E647 L648	E640-R644 WeakPolarHBondContact O-CB 3.46Å; E640-R644 VanDerWaalsContact O-CG 3.3Å; E640-R644 WeakPolarHBondContact O-CG 3.21Å; E640-R644 PolarHBondContact O-N 2.84Å; E640-R644 IonicContact OE1-CZ 2.78Å; E640-R644 IonicContact OE1-NE 3.59Å; E640-R644 PolarHBondContact OE1-NE 2.88Å; E640-R644 IonicContact OE1-NH2 3.14Å; E640-R644 PolarHBondContact OE1-NH2 3.41Å; L641-R644 CarbonylContact O-C 3.57Å; L641-R644 PolarHBondContact O-N 3.47Å; D642-R644 VanDerWaalsContact C-N 3.35Å; D642-R644 PolarHBondContact O-N 3.46Å; R644-E647 PolarHBondContact O-N 3.38Å; R644-L648 VanDerWaalsContact O-CB 3.29Å; R644-L648 WeakPolarHBondContact O-CB 3.34Å; R644-L648 PolarHBondContact O-N 3.02Å
645	R	84.7	Confident	80.8	Confident	167 Å²	167	94.1 Å²	94.1	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-66.9	-41.6	174.2	-77.1	168.3	172.3	176	-5.7	110.9	L641 D642 R643 L648 S649	L641-R645 WeakPolarHBondContact O-CB 3.32Å; L641-R645 VanDerWaalsContact O-CG 3.29Å; L641-R645 WeakPolarHBondContact O-CG 3.39Å; L641-R645 PolarHBondContact O-N 3.23Å; D642-R645 PolarHBondContact O-N 2.95Å; D642-R645 IonicContact OD1-CZ 3.02Å; D642-R645 IonicContact OD1-NH1 3.13Å; D642-R645 PolarHBondContact OD1-NH1 3.49Å; R643-R645 PolarHBondContact O-N 2.97Å; R645-L648 PolarHBondContact O-N 3.48Å; R645-S649 VanDerWaalsContact O-CB 3.28Å; R645-S649 WeakPolarHBondContact O-CB 3.33Å; R645-S649 PolarHBondContact O-N 2.98Å
646	G	80.9	Confident	79.4	Confident	43 Å²	43	93.2 Å²	93.2	44%	0.443	50%	0.498	S	S	.	.	H	α-helix	trans	-59.5	-47.8	171.9	0	0	0	0	0	111.7	D642 R643 L648 S649 L650	D642-G646 PolarHBondContact O-N 3.46Å; R643-G646 PolarHBondContact O-N 2.73Å; G646-L648 PolarHBondContact O-N 3.24Å; G646-S649 PolarHBondContact O-N 3Å; G646-L650 WeakPolarHBondContact O-CB 3.42Å; G646-L650 PolarHBondContact O-N 3.47Å
647	E	78.4	Confident	77.8	Confident	98 Å²	98	91.8 Å²	91.8	46%	0.458	50%	0.498	S	S	.	.	H	α-helix	trans	-60.4	-43.8	174.8	-71	176.8	163.4	0	0	112.3	R643 R644 L650 V651	R643-E647 IonicContact CZ-OE1 3.81Å; R643-E647 IonicContact CZ-OE2 3.23Å; R643-E647 IonicContact NH1-OE1 3.6Å; R643-E647 PolarHBondContact NH1-OE1 3.43Å; R643-E647 IonicContact NH1-OE2 2.65Å; R643-E647 PolarHBondContact NH1-OE2 3.28Å; R643-E647 VanDerWaalsContact NH1-OE2 3.07Å; R643-E647 WeakPolarHBondContact O-CG 3.34Å; R643-E647 PolarHBondContact O-N 2.91Å; R644-E647 PolarHBondContact O-N 3.38Å; E647-L650 PolarHBondContact O-N 3.48Å; E647-V651 VanDerWaalsContact O-CG2 3.27Å; E647-V651 WeakPolarHBondContact O-CG2 3.49Å; E647-V651 PolarHBondContact O-N 2.95Å
648	L	72.7	Confident	76.1	Confident	93 Å²	93	95.2 Å²	95.2	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-68.1	-38.6	178	-169.8	75.8	0	0	0	112.1	R644 R645 G646 L650 V651 K652	R644-L648 VanDerWaalsContact O-CB 3.29Å; R644-L648 WeakPolarHBondContact O-CB 3.34Å; R644-L648 PolarHBondContact O-N 3.02Å; R645-L648 PolarHBondContact O-N 3.48Å; G646-L648 PolarHBondContact O-N 3.24Å; L648-L650 VanDerWaalsContact C-N 3.34Å; L648-V651 CarbonylContact O-C 3.57Å; L648-V651 PolarHBondContact O-N 3.33Å; L648-K652 WeakPolarHBondContact O-CB 3.35Å; L648-K652 WeakPolarHBondContact O-CG 3.16Å; L648-K652 PolarHBondContact O-N 3.08Å
649	S	70.9	Confident	74.3	Confident	75 Å²	75	94.9 Å²	94.9	52%	0.524	50%	0.495	S	S	.	.	H	α-helix	trans	-62.2	-44.4	175.2	-174	0	0	0	0	110.4	R645 G646 V651 K652 S653	R645-S649 VanDerWaalsContact O-CB 3.28Å; R645-S649 WeakPolarHBondContact O-CB 3.33Å; R645-S649 PolarHBondContact O-N 2.98Å; G646-S649 PolarHBondContact O-N 3Å; S649-V651 PolarHBondContact O-N 2.96Å; S649-K652 CarbonylContact O-C 3.47Å; S649-K652 PolarHBondContact O-N 2.69Å; S649-K652 VanDerWaalsContact O-N 3.1Å; S649-S653 PolarHBondContact O-N 3.36Å; S649-S653 PolarHBondContact O-OG 3.15Å
650	L	64.6	Low	72.7	Confident	118 Å²	118	95.2 Å²	95.2	62%	0.618	50%	0.497	S	S	*	.	H	α-helix	trans	-59.8	-44.9	173	-172.4	65.9	0	0	0	111.2	G646 E647 L648 K652 S653 T654	G646-L650 WeakPolarHBondContact O-CB 3.42Å; G646-L650 PolarHBondContact O-N 3.47Å; E647-L650 PolarHBondContact O-N 3.48Å; L648-L650 VanDerWaalsContact C-N 3.34Å; L650-K652 VanDerWaalsContact C-N 3.3Å; L650-K652 PolarHBondContact O-N 2.91Å; L650-S653 PolarHBondContact O-N 3.27Å; L650-S653 PolarHBondContact O-OG 2.92Å; L650-S653 VanDerWaalsContact O-OG 3.06Å; L650-T654 WeakPolarHBondContact O-CG2 3.48Å; L650-T654 PolarHBondContact O-N 3.02Å
651	V	65.1	Low	71.1	Confident	48 Å²	48	99.8 Å²	99.8	29%	0.291	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-36.1	174.3	172.5	0	0	0	0	112	E647 L648 S649 T654 R659	E647-V651 VanDerWaalsContact O-CG2 3.27Å; E647-V651 WeakPolarHBondContact O-CG2 3.49Å; E647-V651 PolarHBondContact O-N 2.95Å; L648-V651 CarbonylContact O-C 3.57Å; L648-V651 PolarHBondContact O-N 3.33Å; S649-V651 PolarHBondContact O-N 2.96Å; V651-T654 PolarHBondContact O-N 2.88Å; V651-T654 PolarHBondContact O-OG1 3.41Å; V651-R659 HydrophobicContact CG1-CG 3.83Å; V651-R659 PolarHBondContact O-NE 3.28Å
652	K	65.4	Low	69.5	Low	130 Å²	130	97.4 Å²	97.4	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-76.4	-29.2	178.1	-77	179	179.9	-178.9	0	114	L648 S649 L650 T654 R659	L648-K652 WeakPolarHBondContact O-CB 3.35Å; L648-K652 WeakPolarHBondContact O-CG 3.16Å; L648-K652 PolarHBondContact O-N 3.08Å; S649-K652 CarbonylContact O-C 3.47Å; S649-K652 PolarHBondContact O-N 2.69Å; S649-K652 VanDerWaalsContact O-N 3.1Å; L650-K652 VanDerWaalsContact C-N 3.3Å; L650-K652 PolarHBondContact O-N 2.91Å; K652-T654 VanDerWaalsContact C-N 3.33Å; K652-R659 PolarHBondContact O-NH2 3.39Å
653	S	62.8	Low	68	Low	91 Å²	91	97.1 Å²	97.1	64%	0.636	51%	0.51	S	S	*	.	H	α-helix	trans	-81.6	-17.2	172.1	61.5	0	0	0	0	111.8	S649 L650	S649-S653 PolarHBondContact O-N 3.36Å; S649-S653 PolarHBondContact O-OG 3.15Å; L650-S653 PolarHBondContact O-N 3.27Å; L650-S653 PolarHBondContact O-OG 2.92Å; L650-S653 VanDerWaalsContact O-OG 3.06Å
654	T	62.2	Low	66.7	Low	32 Å²	32	95.9 Å²	95.9	20%	0.196	52%	0.519	C	S	.	.	S	Bend	trans	-66	141.4	169.7	76.3	0	0	0	0	111.5	L650 V651 K652 R659	L650-T654 WeakPolarHBondContact O-CG2 3.48Å; L650-T654 PolarHBondContact O-N 3.02Å; V651-T654 PolarHBondContact O-N 2.88Å; V651-T654 PolarHBondContact O-OG1 3.41Å; K652-T654 VanDerWaalsContact C-N 3.33Å; T654-R659 PolarHBondContact O-NH2 3.5Å
655	S	63.4	Low	65.1	Low	66 Å²	66	94.4 Å²	94.4	46%	0.462	52%	0.522	S	S	.	.			trans	-51.1	149.5	176.7	77.7	0	0	0	0	111	S657 R658 R659	S655-S657 PolarHBondContact O-N 3.36Å; S655-R658 PolarHBondContact O-N 2.97Å; S655-R658 PolarHBondContact OG-N 2.96Å; S655-R659 PolarHBondContact O-N 3.42Å
656	P	65.5	Low	63.5	Low	108 Å²	108	89.9 Å²	89.9	70%	0.701	52%	0.516	S	S	*	.	H	α-helix	trans	-49.9	-34.8	179.4	-28.9	35.3	0	0	0	113.9	R659 A660	P656-R659 PolarHBondContact O-N 2.94Å; P656-A660 PolarHBondContact O-N 3.36Å
657	S	62.3	Low	62.1	Low	95 Å²	95	94 Å²	94	66%	0.664	53%	0.534	S	S	*	.	H	α-helix	trans	-65.9	-46.5	176.6	-176.8	0	0	0	0	112.8	S655 R659 A660 Y661	S655-S657 PolarHBondContact O-N 3.36Å; S657-R659 VanDerWaalsContact C-N 3.3Å; S657-R659 PolarHBondContact O-N 3.07Å; S657-A660 PolarHBondContact O-N 3.02Å; S657-Y661 PolarHBondContact O-N 3.02Å; S657-Y661 VanDerWaalsContact O-N 3.16Å
658	R	59.7	Low	60.6	Low	184 Å²	184	100.4 Å²	100.4	69%	0.694	55%	0.554	S	S	*	*	H	α-helix	trans	-64.3	-36.2	173.6	-95.6	-172.4	-162.9	-130	1.8	112.1	S655 Y661 A662	S655-R658 PolarHBondContact O-N 2.97Å; S655-R658 PolarHBondContact OG-N 2.96Å; R658-Y661 PolarHBondContact O-N 3.26Å; R658-A662 PolarHBondContact O-N 2.97Å
659	R	56.6	Low	59.3	Low	90 Å²	90	106.9 Å²	106.9	34%	0.34	57%	0.572	S	S	.	*	H	α-helix	trans	-64.6	-43.5	177.6	-161.1	-177.2	-49.8	-161.8	7	112	V651 K652 T654 S655 P656 S657 Y661 A662 C663	V651-R659 HydrophobicContact CG1-CG 3.83Å; V651-R659 PolarHBondContact O-NE 3.28Å; K652-R659 PolarHBondContact O-NH2 3.39Å; T654-R659 PolarHBondContact O-NH2 3.5Å; S655-R659 PolarHBondContact O-N 3.42Å; P656-R659 PolarHBondContact O-N 2.94Å; S657-R659 VanDerWaalsContact C-N 3.3Å; S657-R659 PolarHBondContact O-N 3.07Å; R659-Y661 VanDerWaalsContact C-N 3.26Å; R659-Y661 PolarHBondContact O-N 3.44Å; R659-A662 PolarHBondContact O-N 3.45Å; R659-C663 WeakPolarHBondContact O-CB 3.35Å; R659-C663 PolarHBondContact O-N 3.32Å; R659-C663 PolarHBondContact O-SG 3.42Å
660	A	60.4	Low	58	Low	66 Å²	66	114.1 Å²	114.1	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-59.2	-40.3	174.3	0	0	0	0	0	111.4	P656 S657 S664	P656-A660 PolarHBondContact O-N 3.36Å; S657-A660 PolarHBondContact O-N 3.02Å; A660-S664 PolarHBondContact O-N 3.26Å; A660-S664 PolarHBondContact O-OG 3.09Å
661	Y	59.6	Low	57	Low	155 Å²	155	113.7 Å²	113.7	61%	0.608	59%	0.591	S	S	*	*	H	α-helix	trans	-68.8	-44	176.2	-165.3	-97.8	0	0	0	113.3	S657 R658 R659 C663 S664 L665	S657-Y661 PolarHBondContact O-N 3.02Å; S657-Y661 VanDerWaalsContact O-N 3.16Å; R658-Y661 PolarHBondContact O-N 3.26Å; R659-Y661 VanDerWaalsContact C-N 3.26Å; R659-Y661 PolarHBondContact O-N 3.44Å; Y661-C663 VanDerWaalsContact C-N 3.33Å; Y661-C663 PolarHBondContact O-N 3.39Å; Y661-S664 PolarHBondContact O-N 3.03Å; Y661-S664 PolarHBondContact O-OG 3.28Å; Y661-L665 HydrophobicContact CD1-CD1 3.95Å; Y661-L665 HydrophobicContact CD1-CG 4.49Å; Y661-L665 HydrophobicContact CE1-CD1 3.69Å; Y661-L665 HydrophobicContact CE1-CG 4.29Å; Y661-L665 WeakPolarHBondContact O-CG 3.18Å; Y661-L665 PolarHBondContact O-N 3.43Å
662	A	58.5	Low	55.8	Low	38 Å²	38	119 Å²	119	31%	0.314	62%	0.616	S	S	.	*	H	α-helix	trans	-64.2	-38.2	176.2	0	0	0	0	0	112.2	R658 R659 L665 S666	R658-A662 PolarHBondContact O-N 2.97Å; R659-A662 PolarHBondContact O-N 3.45Å; A662-L665 PolarHBondContact O-N 2.96Å; A662-S666 PolarHBondContact O-N 3.26Å; A662-S666 PolarHBondContact O-OG 2.97Å
663	C	58.9	Low	54.7	Low	83 Å²	83	123.5 Å²	123.5	56%	0.561	63%	0.629	S	S	*	*	H	α-helix	trans	-68.7	-30.2	174.3	-78	0	0	0	0	113	R659 Y661 L665	R659-C663 WeakPolarHBondContact O-CB 3.35Å; R659-C663 PolarHBondContact O-N 3.32Å; R659-C663 PolarHBondContact O-SG 3.42Å; Y661-C663 VanDerWaalsContact C-N 3.33Å; Y661-C663 PolarHBondContact O-N 3.39Å; C663-L665 VanDerWaalsContact C-N 3.35Å
664	S	60.5	Low	53.4	Low	88 Å²	88	126.8 Å²	126.8	62%	0.615	64%	0.635	S	S	*	*	H	α-helix	trans	-75.3	-24	176.5	68.3	0	0	0	0	113.2	A660 Y661	A660-S664 PolarHBondContact O-N 3.26Å; A660-S664 PolarHBondContact O-OG 3.09Å; Y661-S664 PolarHBondContact O-N 3.03Å; Y661-S664 PolarHBondContact O-OG 3.28Å
665	L	54.4	Low	52.3	Low	115 Å²	115	130.6 Å²	130.6	60%	0.602	66%	0.663	S	S	*	*	H	α-helix	trans	-80.9	-22.5	173.7	-67.2	174.4	0	0	0	113.7	Y661 A662 C663 P667	Y661-L665 HydrophobicContact CD1-CD1 3.95Å; Y661-L665 HydrophobicContact CD1-CG 4.49Å; Y661-L665 HydrophobicContact CE1-CD1 3.69Å; Y661-L665 HydrophobicContact CE1-CG 4.29Å; Y661-L665 WeakPolarHBondContact O-CG 3.18Å; Y661-L665 PolarHBondContact O-N 3.43Å; A662-L665 PolarHBondContact O-N 2.96Å; C663-L665 VanDerWaalsContact C-N 3.35Å; L665-P667 WeakPolarHBondContact O-CD 3.35Å
666	S	50.6	Low	51.2	Low	72 Å²	72	138 Å²	138	50%	0.503	68%	0.681	S	S	.	*	S	Bend	trans	-64.1	125.7	176.8	-67.9	0	0	0	0	108.9	A662 R668	A662-S666 PolarHBondContact O-N 3.26Å; A662-S666 PolarHBondContact O-OG 2.97Å; S666-R668 PolarHBondContact O-N 2.89Å
667	P	51.1	Low	49.8	Very low	129 Å²	129	140 Å²	140	84%	0.838	69%	0.685	S	S	*	*			trans	-52.5	103.3	178.7	-27.3	34.7	0	0	0	109.2	L665 R669	L665-P667 WeakPolarHBondContact O-CD 3.35Å; P667-R669 PolarHBondContact O-N 3.38Å
668	R	47.8	Very low	48.5	Very low	232 Å²	232	142 Å²	142	88%	0.875	69%	0.693	S	S	*	*			trans	-53	109.1	-176.5	-164	172.6	-176.2	149.6	-2.1	105.8	S666 R670	S666-R668 PolarHBondContact O-N 2.89Å; R668-R670 PolarHBondContact O-N 2.93Å
669	R	44.3	Very low	47.6	Very low	229 Å²	229	139.2 Å²	139.2	86%	0.864	70%	0.696	S	S	*	*			trans	-56.1	97.8	169.7	-143.9	-179.3	-159.2	-135.1	4.6	103.4	P667 T671	P667-R669 PolarHBondContact O-N 3.38Å; R669-T671 PolarHBondContact O-N 3.48Å
670	R	44.7	Very low	46.5	Very low	227 Å²	227	139.6 Å²	139.6	86%	0.857	71%	0.713	S	S	*	*			trans	-62.7	89.2	174.2	-79.2	-179	178	165	-1.1	104.1	R668 I672	R668-R670 PolarHBondContact O-N 2.93Å; R670-I672 PolarHBondContact O-N 2.97Å
671	T	42.5	Very low	45.3	Very low	110 Å²	110	144.4 Å²	144.4	68%	0.675	73%	0.729	S	S	*	*			trans	-63.4	104	158.7	46.4	0	0	0	0	103	R669 R673	R669-T671 PolarHBondContact O-N 3.48Å; T671-R673 PolarHBondContact O-N 3.45Å
672	I	41	Very low	44	Very low	159 Å²	159	145.6 Å²	145.6	82%	0.815	74%	0.737	S	S	*	*			trans	-60.4	88.5	165.2	-63.9	164.8	0	0	0	103.8	R670	R670-I672 PolarHBondContact O-N 2.97Å
673	R	41.7	Very low	43	Very low	225 Å²	225	149.1 Å²	149.1	85%	0.849	76%	0.759	S	S	*	*			trans	-99.9	93.8	172.2	-149	-178.6	-168.3	-148.5	2.7	102.8	T671 S675	T671-R673 PolarHBondContact O-N 3.45Å; R673-S675 PolarHBondContact O-N 2.81Å
674	E	36.1	Very low	41.6	Very low	160 Å²	160	153.3 Å²	153.3	75%	0.748	78%	0.776	S	S	*	*			trans	-44.3	126.1	172	-71.4	176.4	158.3	0	0	109.1	R676	E674-R676 PolarHBondContact O-N 3.07Å
675	S	39.4	Very low	40.4	Very low	112 Å²	112	152.4 Å²	152.4	78%	0.783	78%	0.781	S	S	*	*			trans	-54.1	106.7	175.6	-52.6	0	0	0	0	108.9	R673	R673-S675 PolarHBondContact O-N 2.81Å
676	R	40.2	Very low	39.1	Very low	222 Å²	222	159 Å²	159	84%	0.838	80%	0.798	S	S	*	*			trans	-96.8	111.9	159.5	-71.1	-172.4	-170.5	174.7	1.8	106.3	E674 V678	E674-R676 PolarHBondContact O-N 3.07Å; R676-V678 PolarHBondContact O-N 3.39Å
677	D	36.7	Very low	38.3	Very low	148 Å²	148	166.7 Å²	166.7	79%	0.791	82%	0.816	S	S	*	*			trans	-50.1	129.2	-177.9	-68.2	-49.2	0	0	0	111.6	T679	D677-T679 PolarHBondContact O-N 3.26Å
678	V	34.3	Very low	37.4	Very low	138 Å²	138	166.6 Å²	166.6	84%	0.836	81%	0.813	S	S	*	*			trans	-85.4	85.3	-178.8	-177.2	0	0	0	0	107.5	R676 S680	R676-V678 PolarHBondContact O-N 3.39Å; V678-S680 PolarHBondContact O-N 3.46Å
679	T	41.2	Very low	36.5	Very low	125 Å²	125	162 Å²	162	77%	0.767	81%	0.81	S	S	*	*			trans	-76	103.4	162.4	40.9	0	0	0	0	109.1	D677 L681	D677-T679 PolarHBondContact O-N 3.26Å; T679-L681 PolarHBondContact O-N 3.14Å
680	S	32	Very low	36	Very low	98 Å²	98	156.6 Å²	156.6	69%	0.685	80%	0.803	S	S	*	*			trans	-51.3	107.9	170.5	147.8	0	0	0	0	111.5	V678	V678-S680 PolarHBondContact O-N 3.46Å
681	L	36.4	Very low	35.3	Very low	168 Å²	168	151 Å²	151	88%	0.88	80%	0.798	S	S	*	*			trans	-112.4	108.6	160.3	-98.5	136.2	0	0	0	109.1	T679	T679-L681 PolarHBondContact O-N 3.14Å
682	K	32.5	Very low	34.9	Very low	180 Å²	180	153.6 Å²	153.6	78%	0.783	80%	0.802	S	S	*	*			trans	-61.8	156.4	170.2	-71.6	173.3	173.6	176.3	0	110.9
683	S	36.1	Very low	34.4	Very low	112 Å²	112	154.6 Å²	154.6	78%	0.783	80%	0.804	S	S	*	*			trans	107.2	104.8	150.4	78.8	0	0	0	0	117.7
684	N	30.5	Very low	33.9	Very low	170 Å²	170	155 Å²	155	91%	0.909	81%	0.805	S	S	*	*			trans	34.5	107.2	131.2	-63.7	-2.2	0	0	0	118.9
685	G	34	Very low	33.8	Very low	69 Å²	69	155.5 Å²	155.5	71%	0.711	81%	0.808	S	S	*	*			trans	-169.1	79.1	163.4	0	0	0	0	0	111.1	R687	G685-R687 PolarHBondContact O-N 2.74Å
686	R	27.5	Very low	33.4	Very low	255 Å²	255	161.7 Å²	161.7	96%	0.962	81%	0.814	S	S	*	*			trans	-59.3	99.8	165.5	175.6	-173.6	-97.4	-144.6	-2.9	107.7
687	R	34.1	Very low	33.1	Very low	233 Å²	233	160.2 Å²	160.2	88%	0.879	81%	0.814	S	S	*	*			trans	-128.9	133.8	165.4	-99.8	-173.7	-86.7	-158.5	-4	110.5	G685	G685-R687 PolarHBondContact O-N 2.74Å
688	T	31.8	Very low	32.9	Very low	127 Å²	127	161.6 Å²	161.6	78%	0.779	82%	0.815	S	S	*	*			trans	-63.8	149.6	-167.7	35.6	0	0	0	0	113.7	T690	T688-T690 PolarHBondContact O-N 2.75Å
689	V	28.7	Very low	32.8	Very low	136 Å²	136	160.5 Å²	160.5	82%	0.824	81%	0.808	S	S	*	*			trans	-45.9	123.5	173.7	178.3	0	0	0	0	111.8
690	T	35.3	Very low	32.3	Very low	114 Å²	114	160.9 Å²	160.9	70%	0.699	81%	0.805	S	S	*	*			trans	-124.3	120.5	154.6	54.4	0	0	0	0	108.9	T688 H692	T688-T690 PolarHBondContact O-N 2.75Å; T690-H692 PolarHBondContact O-N 3.14Å
691	S	30	Very low	32.2	Very low	110 Å²	110	166.4 Å²	166.4	77%	0.769	81%	0.813	S	S	*	*			trans	-64.6	117.2	174.4	-56.6	0	0	0	0	109.2
692	H	33.3	Very low	32	Very low	164 Å²	164	167.6 Å²	167.6	76%	0.759	81%	0.811	S	S	*	*			trans	-112.8	97.8	168.4	-84.9	7.5	0	0	0	109.5	T690 R694	T690-H692 PolarHBondContact O-N 3.14Å; H692-R694 PolarHBondContact O-N 3.22Å; H692-R694 VanDerWaalsContact O-N 3.09Å
693	E	30.6	Very low	32	Very low	180 Å²	180	164 Å²	164	84%	0.841	81%	0.809	S	S	*	*			trans	-38.9	102.7	162.5	-163.3	78.4	-149.6	0	0	110.4	Q695	E693-Q695 PolarHBondContact O-N 2.96Å
694	R	31.8	Very low	31.8	Very low	233 Å²	233	167.1 Å²	167.1	88%	0.879	82%	0.816	S	S	*	*			trans	-76.8	92.6	175.9	-77.7	-173.2	175.4	-145	0	109.2	H692 R696	H692-R694 PolarHBondContact O-N 3.22Å; H692-R694 VanDerWaalsContact O-N 3.09Å; R694-R696 PolarHBondContact O-N 3.03Å
695	Q	32.9	Very low	31.9	Very low	171 Å²	171	164 Å²	164	80%	0.799	81%	0.807	S	S	*	*			trans	-58.9	106.8	166.5	-71.9	-158.7	-2.8	0	0	110.4	E693 K697	E693-Q695 PolarHBondContact O-N 2.96Å; Q695-K697 PolarHBondContact O-N 3.39Å
696	R	32.4	Very low	31.9	Very low	242 Å²	242	166.6 Å²	166.6	91%	0.913	81%	0.811	S	S	*	*			trans	-74.7	102.5	169.1	-70.6	-173	177.3	-158.6	1	108.1	R694 H698	R694-R696 PolarHBondContact O-N 3.03Å; R696-H698 PolarHBondContact O-N 3.45Å
697	K	32.4	Very low	32	Very low	192 Å²	192	162.3 Å²	162.3	84%	0.835	81%	0.807	S	S	*	*			trans	-61.5	106.9	170	-71.3	-176.6	176.6	-178.4	0	109.1	Q695 V699	Q695-K697 PolarHBondContact O-N 3.39Å; K697-V699 PolarHBondContact O-N 3.35Å
698	H	32	Very low	32	Very low	176 Å²	176	162.9 Å²	162.9	82%	0.815	81%	0.81	S	S	*	*			trans	-73.2	102.8	172.2	-156.6	-99.2	0	0	0	107.8	R696 N700	R696-H698 PolarHBondContact O-N 3.45Å; H698-N700 PolarHBondContact O-N 3.15Å; H698-N700 VanDerWaalsContact O-N 3.12Å
699	V	33	Very low	32	Very low	116 Å²	116	164.7 Å²	164.7	70%	0.703	81%	0.814	S	S	*	*			trans	-72.3	104.8	175.3	175.9	0	0	0	0	107.3	K697 Y701	K697-V699 PolarHBondContact O-N 3.35Å; V699-Y701 PolarHBondContact O-N 3.4Å
700	N	29.9	Very low	32.1	Very low	132 Å²	132	162.8 Å²	162.8	71%	0.706	81%	0.806	S	S	*	*			trans	-76.5	111.2	-178.3	-158.5	6.4	0	0	0	109	H698 K702	H698-N700 PolarHBondContact O-N 3.15Å; H698-N700 VanDerWaalsContact O-N 3.12Å; N700-K702 PolarHBondContact O-N 2.79Å
701	Y	30.5	Very low	31.8	Very low	214 Å²	214	165.5 Å²	165.5	84%	0.839	82%	0.816	S	S	*	*			trans	-67	99.3	171.5	-74.9	-89.5	0	0	0	108.3	V699 S703	V699-Y701 PolarHBondContact O-N 3.4Å; Y701-S703 PolarHBondContact O-N 3.05Å
702	K	32.6	Very low	31.7	Very low	194 Å²	194	167 Å²	167	84%	0.843	82%	0.816	S	S	*	*			trans	-61.3	106.2	168	-85.5	-178.8	172.7	-179.1	0	108.4	N700 L704	N700-K702 PolarHBondContact O-N 2.79Å; K702-L704 PolarHBondContact O-N 3Å
703	S	32.3	Very low	31.7	Very low	105 Å²	105	168.3 Å²	168.3	73%	0.734	82%	0.823	S	S	*	*			trans	-62	119.3	164.9	53.4	0	0	0	0	109	Y701 S705	Y701-S703 PolarHBondContact O-N 3.05Å; S703-S705 PolarHBondContact O-N 3.4Å; S703-S705 VanDerWaalsContact O-N 3.12Å
704	L	31.8	Very low	31.5	Very low	177 Å²	177	165.6 Å²	165.6	93%	0.927	82%	0.818	S	S	*	*			trans	-67.4	100.4	173.3	-67.1	158.7	0	0	0	108.6	K702	K702-L704 PolarHBondContact O-N 3Å
705	S	33.2	Very low	31.5	Very low	104 Å²	104	160 Å²	160	73%	0.727	82%	0.815	S	S	*	*			trans	-83.9	137.9	166.8	-74.5	0	0	0	0	109.8	S703	S703-S705 PolarHBondContact O-N 3.4Å; S703-S705 VanDerWaalsContact O-N 3.12Å
706	P	33.1	Very low	31.3	Very low	124 Å²	124	160.4 Å²	160.4	81%	0.805	82%	0.817	S	S	*	*			trans	-77.9	137.3	-172.9	-7.5	25.3	0	0	0	112.1	R708	P706-R708 PolarHBondContact O-N 2.93Å
707	N	30.8	Very low	31.3	Very low	164 Å²	164	157.4 Å²	157.4	88%	0.877	81%	0.813	S	S	*	*			trans	-39.8	114.5	170.9	-74.6	-30.7	0	0	0	113
708	R	32.6	Very low	31.2	Very low	246 Å²	246	153.4 Å²	153.4	93%	0.928	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-99.4	121.9	153.9	-107.1	-175.2	-171.4	178.9	2.7	107.8	P706	P706-R708 PolarHBondContact O-N 2.93Å
709	L	32.3	Very low	31	Very low	165 Å²	165	151 Å²	151	86%	0.864	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.4	140.3	-176	-72.7	155.4	0	0	0	111.7
710	S	30.3	Very low	31	Very low	96 Å²	96	150.6 Å²	150.6	67%	0.671	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-56.2	129.9	171.8	47.4	0	0	0	0	113
711	N	30.8	Very low	31	Very low	170 Å²	170	152 Å²	152	91%	0.909	82%	0.817	S	S	*	*			trans	-117.3	100.8	149.8	-93.1	2.5	0	0	0	107
712	D	27.2	Very low	31.2	Very low	142 Å²	142	148.1 Å²	148.1	76%	0.759	81%	0.811	S	S	*	*			trans	-75.8	134.2	161.1	-87.8	-35.6	0	0	0	108.9
713	Q	32.9	Very low	31.2	Very low	192 Å²	192	147.1 Å²	147.1	90%	0.897	82%	0.815	S	S	*	*			trans	-174	94.9	140.6	-102.2	166.7	65.1	0	0	110.9
714	T	26.4	Very low	31.3	Very low	123 Å²	123	150.4 Å²	150.4	76%	0.755	82%	0.82	S	S	*	*			trans	16.8	124.9	130.5	-36.8	0	0	0	0	119.9
715	S	32.8	Very low	31.3	Very low	116 Å²	116	151.7 Å²	151.7	81%	0.811	82%	0.819	S	S	*	*			trans	178.4	100.9	134.2	-73.3	0	0	0	0	107.9
716	Q	28.4	Very low	31.3	Very low	179 Å²	179	151.7 Å²	151.7	84%	0.836	81%	0.814	S	S	*	*				63.8	122	92.3	-75	-148.3	-24.4	0	0	116.5
717	E	32.2	Very low	31.2	Very low	179 Å²	179	151.7 Å²	151.7	84%	0.836	81%	0.814	S	S	*	*			trans	138.5	91	144.7	-76.7	-178.9	171.5	0	0	111.7
718	S	30.1	Very low	31.2	Very low	108 Å²	108	153.6 Å²	153.6	76%	0.755	81%	0.81	S	S	*	*				53.3	102	97.4	51.6	0	0	0	0	114.5
719	S	27.1	Very low	31.1	Very low	124 Å²	124	153.8 Å²	153.8	87%	0.867	81%	0.811	S	S	*	*				81.9	104.8	79.9	178.3	0	0	0	0	114.8
720	S	33.7	Very low	31.1	Very low	108 Å²	108	152.3 Å²	152.3	76%	0.755	81%	0.809	S	S	*	*			trans	176.1	101.2	145.3	-174.3	0	0	0	0	107.4
721	Q	29.8	Very low	31	Very low	161 Å²	161	158.1 Å²	158.1	75%	0.752	82%	0.816	S	S	*	*				67.2	101.6	86.1	-178.9	170.4	-15.8	0	0	113.4
722	D	35.1	Very low	31	Very low	133 Å²	133	156.2 Å²	156.2	71%	0.711	81%	0.811	S	S	*	*				165.1	94.3	121.1	-88.2	-26.5	0	0	0	111.3	M724	D722-M724 PolarHBondContact O-N 3.33Å
723	D	32.1	Very low	31.3	Very low	173 Å²	173	157.5 Å²	157.5	93%	0.925	81%	0.812	S	S	*	*			trans	-84.2	87.2	173.1	-83.1	-41.5	0	0	0	110.5
724	M	35.8	Very low	31.3	Very low	174 Å²	174	153.7 Å²	153.7	86%	0.857	81%	0.807	S	S	*	*			trans	-91.1	108.6	167.8	-78.5	-67.6	-79.9	0	0	111	D722 V726	D722-M724 PolarHBondContact O-N 3.33Å; M724-V726 PolarHBondContact O-N 3.24Å
725	K	30	Very low	31.7	Very low	205 Å²	205	153.1 Å²	153.1	89%	0.891	81%	0.805	S	S	*	*			trans	-78.5	102.5	-175.2	-157.1	174.4	-172.6	-173.3	0	110.3
726	V	33.5	Very low	31.8	Very low	103 Å²	103	157.5 Å²	157.5	62%	0.624	81%	0.81	S	S	*	*			trans	-124.2	123.5	166.6	-174.5	0	0	0	0	109.8	M724 Y728	M724-V726 PolarHBondContact O-N 3.24Å; V726-Y728 PolarHBondContact O-N 3.48Å
727	P	32.3	Very low	32	Very low	124 Å²	124	157.2 Å²	157.2	81%	0.805	81%	0.808	S	S	*	*			trans	-84.2	106.1	-173.4	31.3	-29.6	0	0	0	110.9	R729	P727-R729 PolarHBondContact O-N 2.78Å
728	Y	31	Very low	31.9	Very low	205 Å²	205	158.9 Å²	158.9	80%	0.804	81%	0.807	S	S	*	*			trans	-78.5	120.3	169.6	-79.9	-85.5	0	0	0	110.7	V726 T730	V726-Y728 PolarHBondContact O-N 3.48Å; Y728-T730 PolarHBondContact O-N 3.42Å
729	R	29	Very low	32	Very low	250 Å²	250	160.7 Å²	160.7	94%	0.943	81%	0.807	S	S	*	*			trans	-81.3	88.2	177	-161.3	-177.3	-165.8	-172.9	4.9	108.6	P727 R731	P727-R729 PolarHBondContact O-N 2.78Å; R729-R731 PolarHBondContact O-N 3.46Å
730	T	32.7	Very low	32.1	Very low	134 Å²	134	161 Å²	161	82%	0.822	79%	0.794	S	S	*	*			trans	-82.5	103.3	179.3	-25.2	0	0	0	0	110.2	Y728	Y728-T730 PolarHBondContact O-N 3.42Å
731	R	28.7	Very low	32.2	Very low	217 Å²	217	161.7 Å²	161.7	82%	0.819	79%	0.794	S	S	*	*			trans	-66.2	131.6	172.4	179.2	177.2	165	-164.4	-3	109.9	R729 Q733	R729-R731 PolarHBondContact O-N 3.46Å; R731-Q733 PolarHBondContact O-N 3.35Å
732	T	31.4	Very low	32.5	Very low	130 Å²	130	163 Å²	163	80%	0.798	79%	0.793	S	S	*	*			trans	-60.2	118.4	178.6	43.4	0	0	0	0	112.9
733	Q	33.2	Very low	32.7	Very low	169 Å²	169	167.6 Å²	167.6	79%	0.79	80%	0.801	S	S	*	*			trans	-135.5	90.3	152.9	-77.5	-173.2	4.5	0	0	107.3	R731 P735	R731-Q733 PolarHBondContact O-N 3.35Å; Q733-P735 WeakPolarHBondContact O-CD 3.41Å
734	S	32.3	Very low	33.1	Very low	113 Å²	113	164.1 Å²	164.1	79%	0.79	79%	0.79	S	S	*	*			trans	-82.3	118.9	169.4	-177.8	0	0	0	0	108	K736	S734-K736 PolarHBondContact O-N 3.48Å
735	P	34.6	Very low	33.2	Very low	110 Å²	110	161.9 Å²	161.9	71%	0.714	78%	0.781	S	S	*	*			trans	-67.6	128.7	173.4	-11.6	27.5	0	0	0	108.9	Q733 E737	Q733-P735 WeakPolarHBondContact O-CD 3.41Å; P735-E737 VanDerWaalsContact C-N 3.32Å; P735-E737 PolarHBondContact O-N 3.22Å
736	K	34.4	Very low	33.8	Very low	209 Å²	209	157.4 Å²	157.4	91%	0.909	77%	0.771	S	S	*	*			trans	-69	88.1	170	-74.9	174.3	173.8	176.6	0	108.7	S734 R738	S734-K736 PolarHBondContact O-N 3.48Å; K736-R738 PolarHBondContact O-N 3.4Å
737	E	33	Very low	33.9	Very low	172 Å²	172	161.3 Å²	161.3	80%	0.804	78%	0.775	S	S	*	*			trans	-72.4	98.5	162.6	-81.6	-173.4	167.7	0	0	108.5	P735 I739	P735-E737 VanDerWaalsContact C-N 3.32Å; P735-E737 PolarHBondContact O-N 3.22Å; E737-I739 VanDerWaalsContact C-N 3.35Å; E737-I739 PolarHBondContact O-N 3.06Å
738	R	30.5	Very low	34.4	Very low	214 Å²	214	160.7 Å²	160.7	81%	0.808	76%	0.763	S	S	*	*			trans	-70.6	90.6	174.7	-170.4	-179.6	-167	-169.2	3.4	108	K736 Q740	K736-R738 PolarHBondContact O-N 3.4Å; R738-Q740 PolarHBondContact O-N 3.2Å
739	I	32	Very low	34.7	Very low	146 Å²	146	158.9 Å²	158.9	75%	0.749	76%	0.76	S	S	*	*			trans	-64.9	99.5	170	-58.8	174.7	0	0	0	107.2	E737 V741	E737-I739 VanDerWaalsContact C-N 3.35Å; E737-I739 PolarHBondContact O-N 3.06Å; I739-V741 HydrophobicContact CG2-CG2 4.02Å; I739-V741 PolarHBondContact O-N 2.97Å; I739-V741 VanDerWaalsContact O-N 3.11Å
740	Q	30.3	Very low	35.4	Very low	130 Å²	130	150.8 Å²	150.8	61%	0.607	74%	0.738	S	S	*	*			trans	-72.6	96	168.9	-78.6	-179.7	-14.9	0	0	108	R738 Y742	R738-Q740 PolarHBondContact O-N 3.2Å; Q740-Y742 PolarHBondContact O-N 2.68Å
741	V	34.9	Very low	36.6	Very low	124 Å²	124	150.6 Å²	150.6	75%	0.752	74%	0.739	S	S	*	*			trans	-74.2	106.5	168.5	-178.4	0	0	0	0	107.3	I739 R743	I739-V741 HydrophobicContact CG2-CG2 4.02Å; I739-V741 PolarHBondContact O-N 2.97Å; I739-V741 VanDerWaalsContact O-N 3.11Å; V741-R743 PolarHBondContact O-N 3.4Å
742	Y	36	Very low	38	Very low	188 Å²	188	146.8 Å²	146.8	74%	0.737	74%	0.735	S	S	*	*			trans	-63.9	115.2	170.7	-89	-96.9	0	0	0	109.2	Q740 S744	Q740-Y742 PolarHBondContact O-N 2.68Å; Y742-S744 PolarHBondContact O-N 2.71Å; Y742-S744 VanDerWaalsContact O-N 3.09Å; Y742-S744 PolarHBondContact O-OG 2.75Å
743	R	39.3	Very low	38.8	Very low	229 Å²	229	147.8 Å²	147.8	86%	0.864	73%	0.729	S	S	*	*			trans	-51.4	114.5	166.9	-94.2	-173	174.8	175.2	-1.9	108.3	V741	V741-R743 PolarHBondContact O-N 3.4Å
744	S	39.5	Very low	39.1	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	73%	0.725	S	S	*	*			trans	-108.7	104.4	177.2	-54.7	0	0	0	0	107.6	Y742 V746	Y742-S744 PolarHBondContact O-N 2.71Å; Y742-S744 VanDerWaalsContact O-N 3.09Å; Y742-S744 PolarHBondContact O-OG 2.75Å; S744-V746 PolarHBondContact O-N 3.28Å; S744-V746 VanDerWaalsContact O-N 3.15Å
745	D	37.9	Very low	39.5	Very low	127 Å²	127	146 Å²	146	68%	0.679	71%	0.714	S	S	*	*			trans	-67.3	107.7	170.7	-72.3	-23.5	0	0	0	108.6	R747	D745-R747 PolarHBondContact O-N 2.76Å
746	V	43.7	Very low	39.7	Very low	111 Å²	111	145.5 Å²	145.5	67%	0.673	71%	0.713	S	S	*	*			trans	-84.4	101.7	175.8	-179.1	0	0	0	0	108.3	S744 I748	S744-V746 PolarHBondContact O-N 3.28Å; S744-V746 VanDerWaalsContact O-N 3.15Å; V746-I748 HydrophobicContact CG1-CD1 4.36Å; V746-I748 HydrophobicContact CG1-CG1 4.03Å
747	R	35.6	Very low	39.9	Very low	186 Å²	186	141.2 Å²	141.2	70%	0.702	71%	0.705	S	S	*	*			trans	-97.1	104.7	178.3	-139.6	-176.8	-70	-145.9	0.4	109.2	D745	D745-R747 PolarHBondContact O-N 2.76Å
748	I	43.6	Very low	40.3	Very low	110 Å²	110	140.6 Å²	140.6	56%	0.564	70%	0.701	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.6	105.6	176.2	-58.1	176	0	0	0	107.9	V746	V746-I748 HydrophobicContact CG1-CD1 4.36Å; V746-I748 HydrophobicContact CG1-CG1 4.03Å
749	K	37.2	Very low	40.9	Very low	168 Å²	168	135.8 Å²	135.8	73%	0.73	70%	0.701	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87	116.5	173.5	-71.9	-175.1	173.7	-174	0	109.6
750	T	43.3	Very low	41.2	Very low	80 Å²	80	131.8 Å²	131.8	49%	0.491	70%	0.695	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.6	151.1	162.2	46.5	0	0	0	0	109.7	D752 F753	T750-D752 PolarHBondContact O-N 3.41Å; T750-F753 PolarHBondContact O-N 3.32Å; T750-F753 PolarHBondContact OG1-O 2.9Å
751	P	58.3	Low	41.7	Very low	130 Å²	130	132.8 Å²	132.8	84%	0.844	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-24.9	-168.5	-24.5	33.8	0	0	0	115.4
752	D	57.2	Low	41.9	Very low	136 Å²	136	136 Å²	136	73%	0.727	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-14.7	-170.4	-58.6	-35.1	0	0	0	113.8	T750	T750-D752 PolarHBondContact O-N 3.41Å
753	F	48.3	Very low	41.9	Very low	152 Å²	152	132.2 Å²	132.2	67%	0.667	71%	0.713	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-153.1	135.3	-179	-67.5	-81.8	0	0	0	112.5	T750 I755	T750-F753 PolarHBondContact O-N 3.32Å; T750-F753 PolarHBondContact OG1-O 2.9Å; F753-I755 HydrophobicContact CB-CG1 4.36Å
754	D	38.3	Very low	41.7	Very low	134 Å²	134	131.1 Å²	131.1	72%	0.717	73%	0.732	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.6	107.2	165.1	-110.5	-24.4	0	0	0	108.1
755	I	41	Very low	41.8	Very low	110 Å²	110	132.7 Å²	132.7	56%	0.564	73%	0.733	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.7	111.6	175.4	-59.7	174.5	0	0	0	107.7	F753 V757	F753-I755 HydrophobicContact CB-CG1 4.36Å; I755-V757 HydrophobicContact CG2-CG2 4.06Å
756	S	38.7	Very low	42	Very low	99 Å²	99	133 Å²	133	69%	0.692	74%	0.736	S	S	*	*			trans	-101.1	112.8	171.4	-159.6	0	0	0	0	108.5	H758	S756-H758 PolarHBondContact O-N 3.29Å
757	V	39.7	Very low	42	Very low	120 Å²	120	134.2 Å²	134.2	73%	0.727	74%	0.74	S	S	*	*			trans	-91.6	102.7	175.7	-177.4	0	0	0	0	107.8	I755	I755-V757 HydrophobicContact CG2-CG2 4.06Å
758	H	41.8	Very low	42.3	Very low	159 Å²	159	131.2 Å²	131.2	74%	0.736	74%	0.742	S	S	*	*			trans	-84.5	114.2	166.6	-107.3	47.1	0	0	0	108.6	S756 G760	S756-H758 PolarHBondContact O-N 3.29Å; H758-G760 PolarHBondContact O-N 3.39Å
759	S	43	Very low	42.2	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	75%	0.753	S	S	*	*			trans	-74	86.2	161.6	58.6	0	0	0	0	107.6
760	G	37.3	Very low	42.6	Very low	62 Å²	62	130.1 Å²	130.1	64%	0.639	76%	0.755	S	S	*	*			trans	-74.9	125.9	169.8	0	0	0	0	0	109.4	H758 E762	H758-G760 PolarHBondContact O-N 3.39Å; G760-E762 PolarHBondContact O-N 2.73Å
761	D	40.7	Very low	42.5	Very low	150 Å²	150	133.7 Å²	133.7	80%	0.802	77%	0.773	S	S	*	*			trans	-68.1	107.4	163.1	-77.1	-36	0	0	0	107.5	S763	D761-S763 PolarHBondContact O-N 3.31Å
762	E	39.6	Very low	41.3	Very low	193 Å²	193	134 Å²	134	90%	0.902	77%	0.768	S	S	*	*			trans	-70.6	90.6	157.6	-86.4	-174	157.8	0	0	107.5	G760 T764	G760-E762 PolarHBondContact O-N 2.73Å; E762-T764 PolarHBondContact O-N 3.23Å
763	S	35.2	Very low	40	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	77%	0.771	S	S	*	*			trans	-80.6	96.8	155.7	55.2	0	0	0	0	108	D761	D761-S763 PolarHBondContact O-N 3.31Å
764	T	36.5	Very low	39.2	Very low	206 Å²	206	132.2 Å²	132.2	100%	1.264	78%	0.781	S	S	*	*			trans	-147.2	0	154.7	-35.6	0	0	0	0	109.9	E762	E762-T764 PolarHBondContact O-N 3.23Å

Retrieved 764 of 764 residues in 861.1 ms (Link to these results)

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