A0A3Q0KL88_SCHMA Loading...

DUF2013 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KL88, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 676 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	89.7	Confident	88.6	Confident	36 Å²	36	56.4 Å²	56.4	18%	0.177	30%	0.297	C	S	.	.				0	173.6	0	-66.1	-171.1	82.4	0	0	108.5	I23 F24 R54 C55 A57 F62 V63	M1-I23 HydrophobicContact CB-CG2 4.05Å; M1-I23 HydrophobicContact CE-CG2 3.45Å; M1-I23 VanDerWaalsContact CE-CG2 3.45Å; M1-I23 HydrophobicContact SD-CG2 3.91Å; M1-F24 WeakPolarHBondContact CB-O 3.45Å; M1-R54 WeakPolarHBondContact O-CA 3.31Å; M1-C55 PolarHBondContact N-O 2.94Å; M1-C55 PolarHBondContact O-N 3.36Å; M1-A57 HydrophobicContact CG-CB 4.08Å; M1-A57 HydrophobicContact SD-CB 4.25Å; M1-F62 HydrophobicContact CE-CD1 4.03Å; M1-F62 HydrophobicContact CE-CE1 3.61Å; M1-F62 HydrophobicContact SD-CD1 3.87Å; M1-F62 HydrophobicContact SD-CE1 3.89Å; M1-V63 HydrophobicContact CG-CG2 4.35Å; M1-V63 HydrophobicContact SD-CG2 4.33Å
2	L	92.8	Very high	87.5	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142.4	174.1	-69.1	169.6	0	0	0	109.9	I23 F24 D26 V37 V52 K53 R54	L2-I23 CarbonylContact O-C 3.38Å; L2-I23 VanDerWaalsContact O-CA 3.29Å; L2-I23 WeakPolarHBondContact O-CA 3.41Å; L2-I23 WeakPolarHBondContact O-CG2 3.5Å; L2-F24 HydrophobicContact CB-CB 4.47Å; L2-F24 HydrophobicContact CB-CD2 4.37Å; L2-F24 PolarHBondContact N-O 3.3Å; L2-F24 PolarHBondContact O-N 3.31Å; L2-D26 HydrophobicContact CD1-CB 3.74Å; L2-D26 HydrophobicContact CG-CB 3.92Å; L2-V37 HydrophobicContact CD1-CG1 3.73Å; L2-V52 HydrophobicContact CB-CB 4.19Å; L2-V52 HydrophobicContact CD1-CG2 4.15Å; L2-V52 HydrophobicContact CD2-CB 4.34Å; L2-V52 HydrophobicContact CD2-CG2 4.09Å; L2-V52 HydrophobicContact CG-CG2 4.5Å; L2-K53 CarbonylContact C-O 3.46Å; L2-K53 WeakPolarHBondContact CA-O 3.3Å; L2-R54 HydrophobicContact CD2-CG 3.93Å
3	Q	93.9	Very high	86.6	Confident	40 Å²	40	67.2 Å²	67.2	19%	0.187	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.5	174.1	-179.2	-178.1	8.2	0	0	109.5	I5 D21 E22 V52 K53 C55	Q3-I5 PolarHBondContact O-N 3.25Å; Q3-D21 PolarHBondContact NE2-OD1 3.46Å; Q3-E22 CarbonylContact C-O 3.59Å; Q3-E22 WeakPolarHBondContact CA-O 3.14Å; Q3-V52 CarbonylContact O-C 3.6Å; Q3-V52 VanDerWaalsContact O-CA 3.3Å; Q3-V52 WeakPolarHBondContact O-CA 3.32Å; Q3-K53 HydrophobicContact CB-CG 4.25Å; Q3-K53 PolarHBondContact N-O 3.01Å; Q3-K53 PolarHBondContact O-N 3.49Å; Q3-C55 HydrophobicContact CB-CB 4.19Å
4	A	94	Very high	86	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126.4	173.9	0	0	0	0	0	111.2	F18 S19 D21 E22 F24 F51	A4-F18 HydrophobicContact CB-CD2 3.57Å; A4-F18 HydrophobicContact CB-CE2 3.73Å; A4-S19 WeakPolarHBondContact CB-O 3.38Å; A4-D21 WeakPolarHBondContact O-CA 3.42Å; A4-D21 PolarHBondContact O-N 2.89Å; A4-E22 HydrophobicContact CB-CB 4.44Å; A4-E22 PolarHBondContact N-O 2.85Å; A4-F24 HydrophobicContact CB-CE2 4Å; A4-F24 HydrophobicContact CB-CZ 4.36Å; A4-F51 WeakPolarHBondContact CA-O 3.46Å
5	I	92.4	Very high	86.1	Confident	47 Å²	47	63.9 Å²	63.9	24%	0.241	36%	0.362	C	S	.	.	S	Bend	trans	-92.4	-18.3	174	52.2	166.3	0	0	0	112.7	Q3 F51 K53	Q3-I5 PolarHBondContact O-N 3.25Å; I5-F51 VanDerWaalsContact CG1-C 3.47Å; I5-F51 VanDerWaalsContact CG1-O 3.22Å; I5-F51 WeakPolarHBondContact CG1-O 3.48Å; I5-F51 PolarHBondContact N-O 3.34Å; I5-K53 HydrophobicContact CG2-CB 4.08Å; I5-K53 HydrophobicContact CG2-CD 3.66Å; I5-K53 HydrophobicContact CG2-CG 3.73Å
6	Y	89.4	Confident	86.3	Confident	130 Å²	130	60.6 Å²	60.6	51%	0.51	34%	0.343	S	S	.	.	S	Bend	trans	-138.3	154.5	177.7	-58.4	-66.6	0	0	0	110.6	F18 F51	Y6-F18 WeakPolarHBondContact O-CE2 3.33Å; Y6-F51 HydrophobicContact CD2-CD1 4.47Å
7	P	90.7	Very high	86.6	Confident	83 Å²	83	64.2 Å²	64.2	54%	0.539	35%	0.353	S	S	.	.			trans	-70.5	149.9	168.3	31.9	-33.9	0	0	0	110.7	F18	P7-F18 WeakPolarHBondContact CA-O 3.2Å
8	Y	90.1	Very high	86.9	Confident	28 Å²	28	60.9 Å²	60.9	11%	0.11	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-145	127.8	-178.1	-176.9	-107.9	0	0	0	110.9	P11 L16 K17 F18 W34 P48 F51	Y8-P11 VanDerWaalsContact OH-CD 3.28Å; Y8-P11 WeakPolarHBondContact OH-CD 3.4Å; Y8-L16 VanDerWaalsContact CD1-O 3.29Å; Y8-L16 WeakPolarHBondContact CD1-O 3.3Å; Y8-K17 CarbonylContact O-C 3.56Å; Y8-K17 WeakPolarHBondContact O-CA 3.06Å; Y8-F18 VanDerWaalsContact CB-CE2 3.44Å; Y8-F18 HydrophobicContact CD1-CD1 4.04Å; Y8-F18 AromaticContact CD1-CE1 3.37Å; Y8-F18 HydrophobicContact CD1-CE1 3.37Å; Y8-F18 AromaticContact CD1-CZ 3.84Å; Y8-F18 HydrophobicContact CD1-CZ 3.84Å; Y8-F18 HydrophobicContact CE1-CE1 4.36Å; Y8-F18 AromaticContact CG-CE1 3.77Å; Y8-F18 HydrophobicContact CG-CE1 3.77Å; Y8-F18 HydrophobicContact CG-CE2 4.42Å; Y8-F18 AromaticContact CG-CZ 3.73Å; Y8-F18 HydrophobicContact CG-CZ 3.73Å; Y8-F18 PolarHBondContact N-O 3.32Å; Y8-F18 PolarHBondContact O-N 3.42Å; Y8-W34 HydrophobicContact CE1-CZ3 4.49Å; Y8-W34 WeakPolarHBondContact OH-CH2 3.5Å; Y8-P48 HydrophobicContact CD2-CG 4.16Å; Y8-P48 HydrophobicContact CE1-CG 4.18Å; Y8-P48 HydrophobicContact CE2-CG 3.78Å; Y8-F51 HydrophobicContact CD2-CD1 4.06Å; Y8-F51 AromaticContact CD2-CE1 3.85Å; Y8-F51 HydrophobicContact CD2-CE1 3.85Å; Y8-F51 HydrophobicContact CD2-CZ 4.24Å; Y8-F51 HydrophobicContact CG-CD1 4.34Å; Y8-F51 HydrophobicContact CG-CE1 4.48Å
9	E	86.6	Confident	87.2	Confident	132 Å²	132	61.8 Å²	61.8	62%	0.617	35%	0.346	S	S	*	.			trans	-90.3	-18.6	-174.6	-75.1	-69.1	145.3	0	0	113.8	K17	E9-K17 VanDerWaalsContact CD-NZ 3.3Å; E9-K17 VanDerWaalsContact OE1-CE 3.23Å; E9-K17 WeakPolarHBondContact OE1-CE 3.35Å; E9-K17 IonicContact OE1-NZ 2.67Å; E9-K17 PolarHBondContact OE1-NZ 3.12Å; E9-K17 VanDerWaalsContact OE1-NZ 3.13Å; E9-K17 WeakPolarHBondContact OE2-CD 3.34Å; E9-K17 WeakPolarHBondContact OE2-CE 3.39Å; E9-K17 IonicContact OE2-NZ 3.72Å; E9-K17 PolarHBondContact OE2-NZ 3Å
10	G	79.6	Confident	87.4	Confident	22 Å²	22	67 Å²	67	23%	0.227	36%	0.36	C	S	.	.			trans	67.6	80	176.7	0	0	0	0	0	114.7	F12 T15	G10-F12 PolarHBondContact O-N 3.28Å; G10-T15 WeakPolarHBondContact CA-OG1 3.4Å
11	P	75.4	Confident	87.6	Confident	98 Å²	98	68 Å²	68	64%	0.636	37%	0.365	S	S	*	.			trans	-75.2	-9.4	-179.7	31.3	-33.1	0	0	0	113.9	Y8	Y8-P11 VanDerWaalsContact OH-CD 3.28Å; Y8-P11 WeakPolarHBondContact OH-CD 3.4Å
12	F	75.5	Confident	87.8	Confident	121 Å²	121	68.5 Å²	68.5	53%	0.531	37%	0.367	S	S	.	.	S	Bend	trans	-112.3	141.6	-173.5	-52.2	-65.5	0	0	0	111.9	G10 G14 T15 W34	G10-F12 PolarHBondContact O-N 3.28Å; F12-G14 PolarHBondContact O-N 3.44Å; F12-T15 HydrophobicContact CB-CG2 3.9Å; F12-T15 HydrophobicContact CD2-CG2 4.39Å; F12-T15 WeakPolarHBondContact O-CB 3.43Å; F12-T15 PolarHBondContact O-N 3.18Å; F12-T15 VanDerWaalsContact O-N 3.1Å; F12-T15 PolarHBondContact O-OG1 2.8Å; F12-W34 HydrophobicContact CD2-CH2 4.06Å; F12-W34 HydrophobicContact CD2-CZ2 4.18Å; F12-W34 HydrophobicContact CE2-CH2 4.39Å; F12-W34 HydrophobicContact CE2-CZ2 4.26Å
13	P	75.8	Confident	87.8	Confident	133 Å²	133	70.4 Å²	70.4	86%	0.864	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	135.5	169.5	-24.1	33.4	0	0	0	111.3	T15	P13-T15 VanDerWaalsContact C-N 3.32Å; P13-T15 PolarHBondContact O-N 3.39Å
14	G	78.6	Confident	87.8	Confident	58 Å²	58	68.5 Å²	68.5	60%	0.598	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-3.8	-177.3	0	0	0	0	0	115.4	F12 G45 C46	F12-G14 PolarHBondContact O-N 3.44Å; G14-G45 CarbonylContact O-C 3.52Å; G14-G45 VanDerWaalsContact O-CA 3.25Å; G14-G45 WeakPolarHBondContact O-CA 3.44Å; G14-C46 PolarHBondContact O-N 3.47Å
15	T	87.4	Confident	87.8	Confident	27 Å²	27	68.9 Å²	68.9	17%	0.166	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-89	147.1	171.8	64.9	0	0	0	0	112.1	G10 F12 P13 W34 C46	G10-T15 WeakPolarHBondContact CA-OG1 3.4Å; F12-T15 HydrophobicContact CB-CG2 3.9Å; F12-T15 HydrophobicContact CD2-CG2 4.39Å; F12-T15 WeakPolarHBondContact O-CB 3.43Å; F12-T15 PolarHBondContact O-N 3.18Å; F12-T15 VanDerWaalsContact O-N 3.1Å; F12-T15 PolarHBondContact O-OG1 2.8Å; P13-T15 VanDerWaalsContact C-N 3.32Å; P13-T15 PolarHBondContact O-N 3.39Å; T15-W34 HydrophobicContact CG2-CE3 4.27Å; T15-W34 HydrophobicContact CG2-CH2 3.83Å; T15-W34 HydrophobicContact CG2-CZ3 3.51Å; T15-C46 WeakPolarHBondContact CA-O 3.49Å; T15-C46 HydrophobicContact CG2-CB 4.5Å
16	L	88.6	Confident	87.8	Confident	11 Å²	11	68.6 Å²	68.6	6%	0.058	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-88.5	133.8	177.9	-67.5	170.8	0	0	0	110.7	Y8 F18 V37 K39 T43 C46 V47	Y8-L16 VanDerWaalsContact CD1-O 3.29Å; Y8-L16 WeakPolarHBondContact CD1-O 3.3Å; L16-F18 HydrophobicContact CB-CD1 4.29Å; L16-F18 WeakPolarHBondContact O-CD1 3.12Å; L16-V37 HydrophobicContact CD1-CG2 3.63Å; L16-K39 HydrophobicContact CD1-CG 4.18Å; L16-T43 HydrophobicContact CD2-CG2 3.79Å; L16-C46 PolarHBondContact N-O 3.32Å; L16-C46 VanDerWaalsContact N-O 3.08Å; L16-V47 HydrophobicContact CB-CG1 4.25Å; L16-V47 HydrophobicContact CD1-CG1 4.19Å
17	K	91.4	Very high	87.8	Confident	121 Å²	121	62.9 Å²	62.9	53%	0.526	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-78.9	129	162.6	173.3	169.8	175.9	158.1	0	109.7	Y8 E9 K39	Y8-K17 CarbonylContact O-C 3.56Å; Y8-K17 WeakPolarHBondContact O-CA 3.06Å; E9-K17 VanDerWaalsContact CD-NZ 3.3Å; E9-K17 VanDerWaalsContact OE1-CE 3.23Å; E9-K17 WeakPolarHBondContact OE1-CE 3.35Å; E9-K17 IonicContact OE1-NZ 2.67Å; E9-K17 PolarHBondContact OE1-NZ 3.12Å; E9-K17 VanDerWaalsContact OE1-NZ 3.13Å; E9-K17 WeakPolarHBondContact OE2-CD 3.34Å; E9-K17 WeakPolarHBondContact OE2-CE 3.39Å; E9-K17 IonicContact OE2-NZ 3.72Å; E9-K17 PolarHBondContact OE2-NZ 3Å; K17-K39 VanDerWaalsContact O-CE 3.29Å; K17-K39 WeakPolarHBondContact O-CE 3.36Å; K17-K39 PolarHBondContact O-NZ 3.14Å
18	F	92.9	Very high	87.7	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.022	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-148.1	155.6	-178.4	56.1	-97.2	0	0	0	114.3	A4 Y6 P7 Y8 L16 E22 F24 V47 F51	A4-F18 HydrophobicContact CB-CD2 3.57Å; A4-F18 HydrophobicContact CB-CE2 3.73Å; Y6-F18 WeakPolarHBondContact O-CE2 3.33Å; P7-F18 WeakPolarHBondContact CA-O 3.2Å; Y8-F18 VanDerWaalsContact CB-CE2 3.44Å; Y8-F18 HydrophobicContact CD1-CD1 4.04Å; Y8-F18 AromaticContact CD1-CE1 3.37Å; Y8-F18 HydrophobicContact CD1-CE1 3.37Å; Y8-F18 AromaticContact CD1-CZ 3.84Å; Y8-F18 HydrophobicContact CD1-CZ 3.84Å; Y8-F18 HydrophobicContact CE1-CE1 4.36Å; Y8-F18 AromaticContact CG-CE1 3.77Å; Y8-F18 HydrophobicContact CG-CE1 3.77Å; Y8-F18 HydrophobicContact CG-CE2 4.42Å; Y8-F18 AromaticContact CG-CZ 3.73Å; Y8-F18 HydrophobicContact CG-CZ 3.73Å; Y8-F18 PolarHBondContact N-O 3.32Å; Y8-F18 PolarHBondContact O-N 3.42Å; L16-F18 HydrophobicContact CB-CD1 4.29Å; L16-F18 WeakPolarHBondContact O-CD1 3.12Å; F18-E22 WeakPolarHBondContact CA-OE2 3.14Å; F18-E22 HydrophobicContact CB-CB 4.39Å; F18-E22 WeakPolarHBondContact CB-OE2 3.06Å; F18-F24 HydrophobicContact CB-CE1 4.01Å; F18-F24 HydrophobicContact CB-CZ 3.53Å; F18-F24 AromaticContact CD1-CZ 3.88Å; F18-F24 HydrophobicContact CD1-CZ 3.88Å; F18-F24 HydrophobicContact CD2-CE2 4.39Å; F18-F24 AromaticContact CD2-CZ 3.94Å; F18-F24 HydrophobicContact CD2-CZ 3.94Å; F18-F24 HydrophobicContact CG-CE1 4.35Å; F18-F24 HydrophobicContact CG-CE2 4.33Å; F18-F24 AromaticContact CG-CZ 3.53Å; F18-F24 HydrophobicContact CG-CZ 3.53Å; F18-V47 HydrophobicContact CD1-CG1 3.92Å; F18-V47 HydrophobicContact CE1-CB 3.89Å; F18-V47 HydrophobicContact CE1-CG1 3.49Å; F18-V47 VanDerWaalsContact CE1-CG1 3.49Å; F18-V47 HydrophobicContact CZ-CB 4.3Å; F18-V47 HydrophobicContact CZ-CG1 4.29Å; F18-F51 HydrophobicContact CE2-CB 4.3Å; F18-F51 HydrophobicContact CE2-CD1 4.45Å; F18-F51 HydrophobicContact CZ-CB 3.99Å; F18-F51 HydrophobicContact CZ-CD1 4.42Å
19	S	93	Very high	87.6	Confident	79 Å²	79	66.3 Å²	66.3	55%	0.552	35%	0.354	S	S	*	.			trans	-94.1	161.7	175.6	-63.9	0	0	0	0	111.6	A4 D21 E22	A4-S19 WeakPolarHBondContact CB-O 3.38Å; S19-D21 PolarHBondContact O-N 3.3Å; S19-E22 PolarHBondContact N-OE2 3.17Å; S19-E22 VanDerWaalsContact O-CB 3.29Å; S19-E22 WeakPolarHBondContact O-CB 3.37Å; S19-E22 PolarHBondContact O-N 3.31Å
20	R	90.8	Very high	87.5	Confident	164 Å²	164	63.9 Å²	63.9	62%	0.619	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	141.2	170.1	-175.2	178.6	176	164.3	3.7	109.8	E22	R20-E22 PolarHBondContact O-N 2.98Å
21	D	91.5	Very high	87.7	Confident	88 Å²	88	66.5 Å²	66.5	47%	0.471	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	7.2	-179.3	-56.7	-52.8	0	0	0	116.2	Q3 A4 S19	Q3-D21 PolarHBondContact NE2-OD1 3.46Å; A4-D21 WeakPolarHBondContact O-CA 3.42Å; A4-D21 PolarHBondContact O-N 2.89Å; S19-D21 PolarHBondContact O-N 3.3Å
22	E	93.6	Very high	88	Confident	47 Å²	47	69.3 Å²	69.3	22%	0.22	36%	0.357	C	S	.	.			trans	-67.3	143.3	170.4	-163	169.4	164.3	0	0	111.2	Q3 A4 F18 S19 R20 F24 K39	Q3-E22 CarbonylContact C-O 3.59Å; Q3-E22 WeakPolarHBondContact CA-O 3.14Å; A4-E22 HydrophobicContact CB-CB 4.44Å; A4-E22 PolarHBondContact N-O 2.85Å; F18-E22 WeakPolarHBondContact CA-OE2 3.14Å; F18-E22 HydrophobicContact CB-CB 4.39Å; F18-E22 WeakPolarHBondContact CB-OE2 3.06Å; S19-E22 PolarHBondContact N-OE2 3.17Å; S19-E22 VanDerWaalsContact O-CB 3.29Å; S19-E22 WeakPolarHBondContact O-CB 3.37Å; S19-E22 PolarHBondContact O-N 3.31Å; R20-E22 PolarHBondContact O-N 2.98Å; E22-F24 HydrophobicContact CB-CE1 4.36Å; E22-F24 HydrophobicContact CB-CZ 3.99Å; E22-F24 HydrophobicContact CG-CE1 3.9Å; E22-F24 HydrophobicContact CG-CZ 4.05Å; E22-K39 WeakPolarHBondContact OE1-CD 3.28Å; E22-K39 VanDerWaalsContact OE1-CE 3.24Å; E22-K39 WeakPolarHBondContact OE1-CE 3.41Å; E22-K39 IonicContact OE1-NZ 2.8Å; E22-K39 PolarHBondContact OE1-NZ 3.49Å; E22-K39 IonicContact OE2-NZ 2.73Å
23	I	92.7	Very high	88.6	Confident	44 Å²	44	71 Å²	71	23%	0.226	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136	-174	-54.9	177.7	0	0	0	110.1	M1 L2	M1-I23 HydrophobicContact CB-CG2 4.05Å; M1-I23 HydrophobicContact CE-CG2 3.45Å; M1-I23 VanDerWaalsContact CE-CG2 3.45Å; M1-I23 HydrophobicContact SD-CG2 3.91Å; L2-I23 CarbonylContact O-C 3.38Å; L2-I23 VanDerWaalsContact O-CA 3.29Å; L2-I23 WeakPolarHBondContact O-CA 3.41Å; L2-I23 WeakPolarHBondContact O-CG2 3.5Å
24	F	94.1	Very high	89.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.9	178.5	-40.9	-74.9	0	0	0	112.5	M1 L2 A4 F18 E22 V37 S38 K39 V47 V52	M1-F24 WeakPolarHBondContact CB-O 3.45Å; L2-F24 HydrophobicContact CB-CB 4.47Å; L2-F24 HydrophobicContact CB-CD2 4.37Å; L2-F24 PolarHBondContact N-O 3.3Å; L2-F24 PolarHBondContact O-N 3.31Å; A4-F24 HydrophobicContact CB-CE2 4Å; A4-F24 HydrophobicContact CB-CZ 4.36Å; F18-F24 HydrophobicContact CB-CE1 4.01Å; F18-F24 HydrophobicContact CB-CZ 3.53Å; F18-F24 AromaticContact CD1-CZ 3.88Å; F18-F24 HydrophobicContact CD1-CZ 3.88Å; F18-F24 HydrophobicContact CD2-CE2 4.39Å; F18-F24 AromaticContact CD2-CZ 3.94Å; F18-F24 HydrophobicContact CD2-CZ 3.94Å; F18-F24 HydrophobicContact CG-CE1 4.35Å; F18-F24 HydrophobicContact CG-CE2 4.33Å; F18-F24 AromaticContact CG-CZ 3.53Å; F18-F24 HydrophobicContact CG-CZ 3.53Å; E22-F24 HydrophobicContact CB-CE1 4.36Å; E22-F24 HydrophobicContact CB-CZ 3.99Å; E22-F24 HydrophobicContact CG-CE1 3.9Å; E22-F24 HydrophobicContact CG-CZ 4.05Å; F24-V37 HydrophobicContact CB-CB 3.75Å; F24-V37 HydrophobicContact CB-CG1 4.34Å; F24-V37 HydrophobicContact CB-CG2 3.75Å; F24-V37 HydrophobicContact CD1-CG2 4.12Å; F24-V37 HydrophobicContact CD2-CG2 4.49Å; F24-V37 HydrophobicContact CG-CB 4.41Å; F24-V37 HydrophobicContact CG-CG2 3.87Å; F24-S38 CarbonylContact C-O 3.52Å; F24-S38 WeakPolarHBondContact CA-O 3.15Å; F24-K39 HydrophobicContact CD1-CG 3.95Å; F24-K39 HydrophobicContact CE1-CG 3.97Å; F24-V47 HydrophobicContact CE2-CG1 4.48Å; F24-V52 HydrophobicContact CD2-CG1 4.21Å; F24-V52 HydrophobicContact CE2-CG1 4.08Å
25	L	93	Very high	90	Very high	8 Å²	8	66 Å²	66	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.7	163.9	179.9	63.9	0	0	0	108.9	I27 V37 S38 V63 C66 A67 L92 I95	L25-I27 HydrophobicContact CG-CG1 4.41Å; L25-V37 CarbonylContact O-C 3.58Å; L25-V37 WeakPolarHBondContact O-CA 3.35Å; L25-V37 VanDerWaalsContact O-CB 3.3Å; L25-V37 WeakPolarHBondContact O-CB 3.24Å; L25-S38 PolarHBondContact N-O 2.57Å; L25-S38 PolarHBondContact O-N 3.38Å; L25-V63 HydrophobicContact CD1-CG1 3.81Å; L25-C66 HydrophobicContact CB-CB 4.36Å; L25-C66 HydrophobicContact CD2-CB 4.17Å; L25-A67 HydrophobicContact CD2-CB 3.95Å; L25-L92 HydrophobicContact CD2-CD2 4.44Å; L25-I95 HydrophobicContact CD1-CG2 4.47Å
26	D	92.4	Very high	90.2	Very high	42 Å²	42	64.8 Å²	64.8	23%	0.225	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.1	174.2	-162.9	12.6	0	0	0	109.3	L2 R35	L2-D26 HydrophobicContact CD1-CB 3.74Å; L2-D26 HydrophobicContact CG-CB 3.92Å; D26-R35 IonicContact OD1-NE 3.74Å; D26-R35 PolarHBondContact OD1-NE 3Å; D26-R35 IonicContact OD2-CZ 2.92Å; D26-R35 IonicContact OD2-NE 3.22Å; D26-R35 PolarHBondContact OD2-NE 3.47Å; D26-R35 IonicContact OD2-NH2 3.62Å; D26-R35 PolarHBondContact OD2-NH2 3.18Å
27	I	89.9	Confident	90.4	Very high	9 Å²	9	64.2 Å²	64.2	5%	0.046	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-59.1	-175.7	-57	171.1	0	0	0	111	L25 L36 L44 L88 R91 L92	L25-I27 HydrophobicContact CG-CG1 4.41Å; I27-L36 WeakPolarHBondContact CB-O 3.29Å; I27-L36 PolarHBondContact N-O 3.23Å; I27-L36 VanDerWaalsContact N-O 3.16Å; I27-L44 HydrophobicContact CD1-CD2 3.36Å; I27-L88 HydrophobicContact CD1-CD1 4.27Å; I27-L88 HydrophobicContact CG2-CD1 3.55Å; I27-R91 HydrophobicContact CG2-CB 4.39Å; I27-R91 HydrophobicContact CG2-CG 4.02Å; I27-L92 HydrophobicContact CD1-CD2 3.98Å; I27-L92 HydrophobicContact CG1-CD2 4.32Å
28	R	88.5	Confident	90.5	Very high	68 Å²	68	58.5 Å²	58.5	26%	0.257	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	154.2	177.9	69.4	177.8	-172.7	-162.9	2	112	E30 L36 R83	R28-E30 IonicContact CZ-OE1 2.74Å; R28-E30 IonicContact NE-OE1 2.87Å; R28-E30 PolarHBondContact NE-OE1 3.47Å; R28-E30 IonicContact NH2-OE1 3.13Å; R28-E30 PolarHBondContact NH2-OE1 3.5Å; R28-E30 IonicContact NH2-OE2 2.73Å; R28-L36 HydrophobicContact CG-CB 3.9Å; R28-L36 HydrophobicContact CG-CD2 4.08Å; R28-L36 PolarHBondContact N-O 2.62Å; R28-L36 PolarHBondContact O-N 3.39Å; R28-R83 PolarHBondContact NH2-O 3.27Å
29	E	89.1	Confident	90.4	Very high	116 Å²	116	59.7 Å²	59.7	54%	0.542	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.2	167.5	-65.3	178.2	-179.6	0	0	108.4	R35	E29-R35 HydrophobicContact CG-CG 4.32Å; E29-R35 IonicContact OE1-CZ 3.71Å; E29-R35 IonicContact OE1-NH1 2.63Å; E29-R35 PolarHBondContact OE1-NH1 3.27Å; E29-R35 IonicContact OE1-NH2 3.74Å; E29-R35 PolarHBondContact OE1-NH2 3.46Å
30	E	83.1	Confident	90.3	Very high	80 Å²	80	58.7 Å²	58.7	37%	0.374	27%	0.267	S	S	.	.			trans	-87.6	-36.2	175.2	-70	-70.7	162.3	0	0	110.8	R28 W34 L36	R28-E30 IonicContact CZ-OE1 2.74Å; R28-E30 IonicContact NE-OE1 2.87Å; R28-E30 PolarHBondContact NE-OE1 3.47Å; R28-E30 IonicContact NH2-OE1 3.13Å; R28-E30 PolarHBondContact NH2-OE1 3.5Å; R28-E30 IonicContact NH2-OE2 2.73Å; E30-W34 HydrophobicContact CB-CB 4.35Å; E30-W34 PolarHBondContact N-O 3.04Å; E30-L36 HydrophobicContact CG-CB 4.02Å
31	N	85.1	Confident	90.1	Very high	78 Å²	78	55 Å²	55	42%	0.417	26%	0.259	S	S	.	.	S	Bend	trans	-165.6	-173.7	171.8	54.8	55.9	0	0	0	109.1	Y33 W34	N31-Y33 PolarHBondContact O-N 3.29Å; N31-Y33 VanDerWaalsContact O-N 3.14Å; N31-Y33 WeakPolarHBondContact OD1-CA 3.01Å; N31-Y33 PolarHBondContact OD1-N 2.66Å; N31-W34 PolarHBondContact N-O 3.02Å; N31-W34 PolarHBondContact O-N 2.93Å; N31-W34 VanDerWaalsContact OD1-CD1 3.28Å; N31-W34 PolarHBondContact OD1-N 2.77Å
32	E	81.8	Confident	90	Very high	157 Å²	157	50.8 Å²	50.8	73%	0.734	24%	0.237	S	C	*	.	S	Bend	trans	-56.3	-30.5	179.5	-61.1	-176.7	157.4	0	0	113.6	T49	E32-T49 PolarHBondContact O-OG1 3.11Å
33	Y	88	Confident	89.8	Confident	156 Å²	156	51.4 Å²	51.4	61%	0.612	24%	0.244	S	C	*	.	S	Bend	trans	-99.4	-21.1	-173.4	-53.8	-72.3	0	0	0	114.1	N31 P48 T49	N31-Y33 PolarHBondContact O-N 3.29Å; N31-Y33 VanDerWaalsContact O-N 3.14Å; N31-Y33 WeakPolarHBondContact OD1-CA 3.01Å; N31-Y33 PolarHBondContact OD1-N 2.66Å; Y33-P48 CarbonylContact O-C 3.58Å; Y33-P48 VanDerWaalsContact O-CA 3.25Å; Y33-P48 WeakPolarHBondContact O-CA 3.22Å; Y33-T49 VanDerWaalsContact C-OG1 3.32Å; Y33-T49 PolarHBondContact O-N 2.94Å; Y33-T49 PolarHBondContact O-OG1 2.96Å
34	W	91	Very high	89.7	Confident	61 Å²	61	50.8 Å²	50.8	23%	0.231	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.8	-169.8	-62.3	95.4	0	0	0	112.7	Y8 F12 T15 E30 N31 C46 P48	Y8-W34 HydrophobicContact CE1-CZ3 4.49Å; Y8-W34 WeakPolarHBondContact OH-CH2 3.5Å; F12-W34 HydrophobicContact CD2-CH2 4.06Å; F12-W34 HydrophobicContact CD2-CZ2 4.18Å; F12-W34 HydrophobicContact CE2-CH2 4.39Å; F12-W34 HydrophobicContact CE2-CZ2 4.26Å; T15-W34 HydrophobicContact CG2-CE3 4.27Å; T15-W34 HydrophobicContact CG2-CH2 3.83Å; T15-W34 HydrophobicContact CG2-CZ3 3.51Å; E30-W34 HydrophobicContact CB-CB 4.35Å; E30-W34 PolarHBondContact N-O 3.04Å; N31-W34 PolarHBondContact N-O 3.02Å; N31-W34 PolarHBondContact O-N 2.93Å; N31-W34 VanDerWaalsContact OD1-CD1 3.28Å; N31-W34 PolarHBondContact OD1-N 2.77Å; W34-C46 HydrophobicContact CE3-CB 3.96Å; W34-P48 HydrophobicContact CE3-CG 4.23Å; W34-P48 HydrophobicContact CH2-CG 3.97Å; W34-P48 HydrophobicContact CZ3-CB 4.38Å; W34-P48 HydrophobicContact CZ3-CG 3.63Å
35	R	91.8	Very high	89.5	Confident	24 Å²	24	51 Å²	51	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.2	172.7	-57.2	178	93.2	96.1	-0.5	109.6	D26 E29 V37 C46 V47	D26-R35 IonicContact OD1-NE 3.74Å; D26-R35 PolarHBondContact OD1-NE 3Å; D26-R35 IonicContact OD2-CZ 2.92Å; D26-R35 IonicContact OD2-NE 3.22Å; D26-R35 PolarHBondContact OD2-NE 3.47Å; D26-R35 IonicContact OD2-NH2 3.62Å; D26-R35 PolarHBondContact OD2-NH2 3.18Å; E29-R35 HydrophobicContact CG-CG 4.32Å; E29-R35 IonicContact OE1-CZ 3.71Å; E29-R35 IonicContact OE1-NH1 2.63Å; E29-R35 PolarHBondContact OE1-NH1 3.27Å; E29-R35 IonicContact OE1-NH2 3.74Å; E29-R35 PolarHBondContact OE1-NH2 3.46Å; R35-V37 HydrophobicContact CB-CG1 4.2Å; R35-C46 CarbonylContact O-C 3.59Å; R35-C46 VanDerWaalsContact O-CA 3.32Å; R35-C46 WeakPolarHBondContact O-CA 3.46Å; R35-V47 HydrophobicContact CB-CG2 4.38Å; R35-V47 PolarHBondContact N-O 3.25Å; R35-V47 PolarHBondContact O-N 3.46Å
36	L	92.2	Very high	89.4	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.6	170.3	-179	66.8	0	0	0	108.7	I27 R28 E30 L88	I27-L36 WeakPolarHBondContact CB-O 3.29Å; I27-L36 PolarHBondContact N-O 3.23Å; I27-L36 VanDerWaalsContact N-O 3.16Å; R28-L36 HydrophobicContact CG-CB 3.9Å; R28-L36 HydrophobicContact CG-CD2 4.08Å; R28-L36 PolarHBondContact N-O 2.62Å; R28-L36 PolarHBondContact O-N 3.39Å; E30-L36 HydrophobicContact CG-CB 4.02Å; L36-L88 HydrophobicContact CD2-CD1 3.65Å; L36-L88 HydrophobicContact CD2-CD2 4.08Å; L36-L88 HydrophobicContact CD2-CG 4.47Å
37	V	93.5	Very high	89.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	163.8	-176.6	-53.6	0	0	0	0	111.1	L2 L16 F24 L25 R35 G45 V47	L2-V37 HydrophobicContact CD1-CG1 3.73Å; L16-V37 HydrophobicContact CD1-CG2 3.63Å; F24-V37 HydrophobicContact CB-CB 3.75Å; F24-V37 HydrophobicContact CB-CG1 4.34Å; F24-V37 HydrophobicContact CB-CG2 3.75Å; F24-V37 HydrophobicContact CD1-CG2 4.12Å; F24-V37 HydrophobicContact CD2-CG2 4.49Å; F24-V37 HydrophobicContact CG-CB 4.41Å; F24-V37 HydrophobicContact CG-CG2 3.87Å; L25-V37 CarbonylContact O-C 3.58Å; L25-V37 WeakPolarHBondContact O-CA 3.35Å; L25-V37 VanDerWaalsContact O-CB 3.3Å; L25-V37 WeakPolarHBondContact O-CB 3.24Å; R35-V37 HydrophobicContact CB-CG1 4.2Å; V37-G45 PolarHBondContact N-O 2.78Å; V37-G45 PolarHBondContact O-N 3.02Å; V37-G45 VanDerWaalsContact O-N 3.11Å; V37-G45 VanDerWaalsContact O-O 3.13Å; V37-V47 HydrophobicContact CB-CG2 4.43Å; V37-V47 HydrophobicContact CG1-CG2 3.66Å; V37-V47 HydrophobicContact CG2-CB 4.32Å; V37-V47 HydrophobicContact CG2-CG1 3.53Å; V37-V47 HydrophobicContact CG2-CG2 3.84Å
38	S	92	Very high	89.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.4	168.4	-172.6	0	0	0	0	111.2	F24 L25 G42 T43 A70	F24-S38 CarbonylContact C-O 3.52Å; F24-S38 WeakPolarHBondContact CA-O 3.15Å; L25-S38 PolarHBondContact N-O 2.57Å; L25-S38 PolarHBondContact O-N 3.38Å; S38-G42 WeakPolarHBondContact OG-CA 3.49Å; S38-G42 PolarHBondContact OG-O 2.87Å; S38-T43 WeakPolarHBondContact CA-O 3.49Å; S38-T43 PolarHBondContact OG-O 3.19Å; S38-A70 WeakPolarHBondContact OG-CB 3.23Å
39	K	91.9	Very high	89.7	Confident	31 Å²	31	48.6 Å²	48.6	14%	0.135	24%	0.239	C	C	.	.			trans	-68.1	167.4	167.6	-78	-172.1	-180	-135.2	0	111.4	L16 K17 E22 F24 D41 G42 T43	L16-K39 HydrophobicContact CD1-CG 4.18Å; K17-K39 VanDerWaalsContact O-CE 3.29Å; K17-K39 WeakPolarHBondContact O-CE 3.36Å; K17-K39 PolarHBondContact O-NZ 3.14Å; E22-K39 WeakPolarHBondContact OE1-CD 3.28Å; E22-K39 VanDerWaalsContact OE1-CE 3.24Å; E22-K39 WeakPolarHBondContact OE1-CE 3.41Å; E22-K39 IonicContact OE1-NZ 2.8Å; E22-K39 PolarHBondContact OE1-NZ 3.49Å; E22-K39 IonicContact OE2-NZ 2.73Å; F24-K39 HydrophobicContact CD1-CG 3.95Å; F24-K39 HydrophobicContact CE1-CG 3.97Å; K39-D41 WeakPolarHBondContact CB-OD1 3.41Å; K39-D41 PolarHBondContact O-N 2.95Å; K39-G42 PolarHBondContact O-N 3.46Å; K39-T43 PolarHBondContact N-O 3.49Å
40	T	89.9	Confident	89.8	Confident	57 Å²	57	48.5 Å²	48.5	35%	0.35	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.7	178.3	53.3	0	0	0	0	114.6	F62 K69	T40-F62 HydrophobicContact CG2-CE1 4.43Å; T40-F62 HydrophobicContact CG2-CZ 3.75Å; T40-K69 WeakPolarHBondContact O-CD 3.42Å; T40-K69 PolarHBondContact O-NZ 3.32Å
41	D	88	Confident	90.3	Very high	86 Å²	86	47.1 Å²	47.1	46%	0.46	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.4	172.4	59.6	6.2	0	0	0	113.1	K39 T43 N73	K39-D41 WeakPolarHBondContact CB-OD1 3.41Å; K39-D41 PolarHBondContact O-N 2.95Å; D41-T43 WeakPolarHBondContact OD1-CB 3.23Å; D41-T43 PolarHBondContact OD1-N 3.04Å; D41-T43 PolarHBondContact OD1-OG1 3.07Å; D41-N73 PolarHBondContact O-ND2 3.1Å
42	G	88	Confident	90.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.			trans	92.8	-0.1	-177.8	0	0	0	0	0	114.5	S38 K39 L44 N73	S38-G42 WeakPolarHBondContact OG-CA 3.49Å; S38-G42 PolarHBondContact OG-O 2.87Å; K39-G42 PolarHBondContact O-N 3.46Å; G42-L44 PolarHBondContact O-N 3.45Å; G42-N73 WeakPolarHBondContact CA-ND2 3.44Å; G42-N73 PolarHBondContact O-ND2 3.32Å
43	T	90	Very high	91.2	Very high	60 Å²	60	41.6 Å²	41.6	37%	0.368	21%	0.206	S	C	.	.			trans	-67.1	129.2	177.7	-57.4	0	0	0	0	109.9	L16 S38 K39 D41 N73	L16-T43 HydrophobicContact CD2-CG2 3.79Å; S38-T43 WeakPolarHBondContact CA-O 3.49Å; S38-T43 PolarHBondContact OG-O 3.19Å; K39-T43 PolarHBondContact N-O 3.49Å; D41-T43 WeakPolarHBondContact OD1-CB 3.23Å; D41-T43 PolarHBondContact OD1-N 3.04Å; D41-T43 PolarHBondContact OD1-OG1 3.07Å; T43-N73 PolarHBondContact N-ND2 3.37Å
44	L	90.2	Very high	91.4	Very high	31 Å²	31	43.1 Å²	43.1	16%	0.162	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	142.8	-179.6	-72.3	163	0	0	0	110.7	I27 G42 A70 L74 L88	I27-L44 HydrophobicContact CD1-CD2 3.36Å; G42-L44 PolarHBondContact O-N 3.45Å; L44-A70 HydrophobicContact CD2-CB 4.33Å; L44-L74 HydrophobicContact CD1-CB 4.09Å; L44-L74 HydrophobicContact CD1-CD1 3.9Å; L44-L74 HydrophobicContact CD1-CG 4.46Å; L44-L88 HydrophobicContact CD1-CD2 4.07Å
45	G	89.5	Confident	91.3	Very high	4 Å²	4	41.6 Å²	41.6	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	176.8	169.3	0	0	0	0	0	112.5	G14 V37	G14-G45 CarbonylContact O-C 3.52Å; G14-G45 VanDerWaalsContact O-CA 3.25Å; G14-G45 WeakPolarHBondContact O-CA 3.44Å; V37-G45 PolarHBondContact N-O 2.78Å; V37-G45 PolarHBondContact O-N 3.02Å; V37-G45 VanDerWaalsContact O-N 3.11Å; V37-G45 VanDerWaalsContact O-O 3.13Å
46	C	91.2	Very high	90.8	Very high	28 Å²	28	49.2 Å²	49.2	19%	0.189	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	142.6	-174.4	-64.3	0	0	0	0	112	G14 T15 L16 W34 R35	G14-C46 PolarHBondContact O-N 3.47Å; T15-C46 WeakPolarHBondContact CA-O 3.49Å; T15-C46 HydrophobicContact CG2-CB 4.5Å; L16-C46 PolarHBondContact N-O 3.32Å; L16-C46 VanDerWaalsContact N-O 3.08Å; W34-C46 HydrophobicContact CE3-CB 3.96Å; R35-C46 CarbonylContact O-C 3.59Å; R35-C46 VanDerWaalsContact O-CA 3.32Å; R35-C46 WeakPolarHBondContact O-CA 3.46Å
47	V	92.8	Very high	90	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.6	171.5	-60	0	0	0	0	110.3	L16 F18 F24 R35 V37 V52	L16-V47 HydrophobicContact CB-CG1 4.25Å; L16-V47 HydrophobicContact CD1-CG1 4.19Å; F18-V47 HydrophobicContact CD1-CG1 3.92Å; F18-V47 HydrophobicContact CE1-CB 3.89Å; F18-V47 HydrophobicContact CE1-CG1 3.49Å; F18-V47 VanDerWaalsContact CE1-CG1 3.49Å; F18-V47 HydrophobicContact CZ-CB 4.3Å; F18-V47 HydrophobicContact CZ-CG1 4.29Å; F24-V47 HydrophobicContact CE2-CG1 4.48Å; R35-V47 HydrophobicContact CB-CG2 4.38Å; R35-V47 PolarHBondContact N-O 3.25Å; R35-V47 PolarHBondContact O-N 3.46Å; V37-V47 HydrophobicContact CB-CG2 4.43Å; V37-V47 HydrophobicContact CG1-CG2 3.66Å; V37-V47 HydrophobicContact CG2-CB 4.32Å; V37-V47 HydrophobicContact CG2-CG1 3.53Å; V37-V47 HydrophobicContact CG2-CG2 3.84Å; V47-V52 HydrophobicContact CB-CG1 4.4Å; V47-V52 HydrophobicContact CG2-CG1 3.98Å; V47-V52 HydrophobicContact CG2-CG2 4.43Å
48	P	91.7	Very high	88.8	Confident	8 Å²	8	60.3 Å²	60.3	5%	0.052	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.5	175.5	-16.5	28.7	0	0	0	111.4	Y8 Y33 W34 N50 F51	Y8-P48 HydrophobicContact CD2-CG 4.16Å; Y8-P48 HydrophobicContact CE1-CG 4.18Å; Y8-P48 HydrophobicContact CE2-CG 3.78Å; Y33-P48 CarbonylContact O-C 3.58Å; Y33-P48 VanDerWaalsContact O-CA 3.25Å; Y33-P48 WeakPolarHBondContact O-CA 3.22Å; W34-P48 HydrophobicContact CE3-CG 4.23Å; W34-P48 HydrophobicContact CH2-CG 3.97Å; W34-P48 HydrophobicContact CZ3-CB 4.38Å; W34-P48 HydrophobicContact CZ3-CG 3.63Å; P48-N50 VanDerWaalsContact CB-OD1 3.25Å; P48-N50 WeakPolarHBondContact CB-OD1 3.39Å; P48-N50 PolarHBondContact O-N 3.21Å; P48-F51 HydrophobicContact CB-CB 4.2Å; P48-F51 HydrophobicContact CB-CD2 3.74Å; P48-F51 HydrophobicContact CB-CG 4.23Å; P48-F51 HydrophobicContact CG-CB 4.37Å; P48-F51 HydrophobicContact CG-CD2 4.01Å; P48-F51 HydrophobicContact CG-CG 4.22Å; P48-F51 PolarHBondContact O-N 3.23Å
49	T	92.1	Very high	88.3	Confident	42 Å²	42	64.7 Å²	64.7	26%	0.258	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-55.8	-36.6	-179.4	-57.1	0	0	0	0	112.1	E32 Y33 F51 V52	E32-T49 PolarHBondContact O-OG1 3.11Å; Y33-T49 VanDerWaalsContact C-OG1 3.32Å; Y33-T49 PolarHBondContact O-N 2.94Å; Y33-T49 PolarHBondContact O-OG1 2.96Å; T49-F51 VanDerWaalsContact C-N 3.3Å; T49-F51 PolarHBondContact O-N 3Å; T49-V52 WeakPolarHBondContact O-CG2 3.44Å
50	N	91.9	Very high	87.8	Confident	113 Å²	113	68.2 Å²	68.2	60%	0.604	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-78	-5.2	179.3	63.6	-30.3	0	0	0	114.7	P48	P48-N50 VanDerWaalsContact CB-OD1 3.25Å; P48-N50 WeakPolarHBondContact CB-OD1 3.39Å; P48-N50 PolarHBondContact O-N 3.21Å
51	F	93.5	Very high	87.4	Confident	52 Å²	52	68.6 Å²	68.6	23%	0.228	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-98.9	-2.2	176.4	-84.5	-115.6	0	0	0	112.9	A4 I5 Y6 Y8 F18 P48 T49	A4-F51 WeakPolarHBondContact CA-O 3.46Å; I5-F51 VanDerWaalsContact CG1-C 3.47Å; I5-F51 VanDerWaalsContact CG1-O 3.22Å; I5-F51 WeakPolarHBondContact CG1-O 3.48Å; I5-F51 PolarHBondContact N-O 3.34Å; Y6-F51 HydrophobicContact CD2-CD1 4.47Å; Y8-F51 HydrophobicContact CD2-CD1 4.06Å; Y8-F51 AromaticContact CD2-CE1 3.85Å; Y8-F51 HydrophobicContact CD2-CE1 3.85Å; Y8-F51 HydrophobicContact CD2-CZ 4.24Å; Y8-F51 HydrophobicContact CG-CD1 4.34Å; Y8-F51 HydrophobicContact CG-CE1 4.48Å; F18-F51 HydrophobicContact CE2-CB 4.3Å; F18-F51 HydrophobicContact CE2-CD1 4.45Å; F18-F51 HydrophobicContact CZ-CB 3.99Å; F18-F51 HydrophobicContact CZ-CD1 4.42Å; P48-F51 HydrophobicContact CB-CB 4.2Å; P48-F51 HydrophobicContact CB-CD2 3.74Å; P48-F51 HydrophobicContact CB-CG 4.23Å; P48-F51 HydrophobicContact CG-CB 4.37Å; P48-F51 HydrophobicContact CG-CD2 4.01Å; P48-F51 HydrophobicContact CG-CG 4.22Å; P48-F51 PolarHBondContact O-N 3.23Å; T49-F51 VanDerWaalsContact C-N 3.3Å; T49-F51 PolarHBondContact O-N 3Å
52	V	93.4	Very high	87.3	Confident	15 Å²	15	67.6 Å²	67.6	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.3	-175.7	-65.7	0	0	0	0	111.3	L2 Q3 F24 V47 T49	L2-V52 HydrophobicContact CB-CB 4.19Å; L2-V52 HydrophobicContact CD1-CG2 4.15Å; L2-V52 HydrophobicContact CD2-CB 4.34Å; L2-V52 HydrophobicContact CD2-CG2 4.09Å; L2-V52 HydrophobicContact CG-CG2 4.5Å; Q3-V52 CarbonylContact O-C 3.6Å; Q3-V52 VanDerWaalsContact O-CA 3.3Å; Q3-V52 WeakPolarHBondContact O-CA 3.32Å; F24-V52 HydrophobicContact CD2-CG1 4.21Å; F24-V52 HydrophobicContact CE2-CG1 4.08Å; V47-V52 HydrophobicContact CB-CG1 4.4Å; V47-V52 HydrophobicContact CG2-CG1 3.98Å; V47-V52 HydrophobicContact CG2-CG2 4.43Å; T49-V52 WeakPolarHBondContact O-CG2 3.44Å
53	K	92.6	Very high	87.3	Confident	104 Å²	104	69 Å²	69	45%	0.452	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	149.4	169.3	66.9	178.6	177.9	176.9	0	110.1	L2 Q3 I5 C55	L2-K53 CarbonylContact C-O 3.46Å; L2-K53 WeakPolarHBondContact CA-O 3.3Å; Q3-K53 HydrophobicContact CB-CG 4.25Å; Q3-K53 PolarHBondContact N-O 3.01Å; Q3-K53 PolarHBondContact O-N 3.49Å; I5-K53 HydrophobicContact CG2-CB 4.08Å; I5-K53 HydrophobicContact CG2-CD 3.66Å; I5-K53 HydrophobicContact CG2-CG 3.73Å; K53-C55 PolarHBondContact O-N 3.28Å
54	R	91.6	Very high	87.1	Confident	187 Å²	187	69 Å²	69	71%	0.706	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	133	171.1	-72.8	-176	179.5	167.8	3.6	109.8	M1 L2	M1-R54 WeakPolarHBondContact O-CA 3.31Å; L2-R54 HydrophobicContact CD2-CG 3.93Å
55	C	89.3	Confident	87	Confident	29 Å²	29	72.6 Å²	72.6	20%	0.196	36%	0.361	C	S	.	.			trans	-129.5	151.7	174.1	64.6	0	0	0	0	110.9	M1 Q3 K53	M1-C55 PolarHBondContact N-O 2.94Å; M1-C55 PolarHBondContact O-N 3.36Å; Q3-C55 HydrophobicContact CB-CB 4.19Å; K53-C55 PolarHBondContact O-N 3.28Å
56	E	81.5	Confident	87	Confident	184 Å²	184	72.5 Å²	72.5	86%	0.86	36%	0.359	S	S	*	.			trans	-66.1	137.7	176	-66.8	-177	170.2	0	0	110.5
57	A	75.6	Confident	86.8	Confident	49 Å²	49	71.2 Å²	71.2	41%	0.405	35%	0.35	S	S	.	.			trans	-70.9	132.9	175	0	0	0	0	0	109.2	M1 D59 V63	M1-A57 HydrophobicContact CG-CB 4.08Å; M1-A57 HydrophobicContact SD-CB 4.25Å; A57-D59 VanDerWaalsContact C-N 3.29Å; A57-D59 PolarHBondContact O-N 3.14Å; A57-V63 HydrophobicContact CB-CG2 3.69Å
58	K	69.1	Low	86.6	Confident	187 Å²	187	76 Å²	76	81%	0.813	37%	0.371	S	S	*	.	S	Bend	trans	-64.9	-32.9	179.4	-68.4	-175.4	179.1	-179.7	0	112.8
59	D	80.4	Confident	86.6	Confident	91 Å²	91	79.7 Å²	79.7	49%	0.487	39%	0.387	S	S	.	.			trans	-161.3	148.2	177.3	-169.3	-2.7	0	0	0	109.7	A57 S61 F62 V63	A57-D59 VanDerWaalsContact C-N 3.29Å; A57-D59 PolarHBondContact O-N 3.14Å; D59-S61 VanDerWaalsContact C-N 3.26Å; D59-S61 PolarHBondContact O-N 3.45Å; D59-S61 PolarHBondContact OD1-N 3.25Å; D59-S61 PolarHBondContact OD2-OG 2.97Å; D59-F62 HydrophobicContact CB-CB 4.42Å; D59-F62 WeakPolarHBondContact O-CB 3.35Å; D59-F62 PolarHBondContact O-N 3.48Å; D59-V63 PolarHBondContact O-N 3.03Å
60	E	81.1	Confident	86.4	Confident	106 Å²	106	77.7 Å²	77.7	50%	0.495	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-33.4	173.8	-72.2	-166.1	148.3	0	0	111.6	F62 V63 Q64 R97	E60-F62 PolarHBondContact O-N 2.7Å; E60-V63 PolarHBondContact O-N 3.08Å; E60-Q64 WeakPolarHBondContact O-CG 3.47Å; E60-Q64 PolarHBondContact O-N 2.84Å; E60-Q64 VanDerWaalsContact O-N 3.08Å; E60-R97 IonicContact OE1-CZ 3.91Å; E60-R97 IonicContact OE1-NH1 3.64Å; E60-R97 PolarHBondContact OE1-NH1 3.1Å; E60-R97 IonicContact OE1-NH2 3.21Å; E60-R97 PolarHBondContact OE1-NH2 3.36Å; E60-R97 IonicContact OE2-CZ 3.25Å; E60-R97 IonicContact OE2-NH1 3.62Å; E60-R97 PolarHBondContact OE2-NH1 3.17Å
61	S	82.7	Confident	86.2	Confident	65 Å²	65	73.9 Å²	73.9	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-38.1	176.4	74.1	0	0	0	0	111.8	D59 Q64 Q65	D59-S61 VanDerWaalsContact C-N 3.26Å; D59-S61 PolarHBondContact O-N 3.45Å; D59-S61 PolarHBondContact OD1-N 3.25Å; D59-S61 PolarHBondContact OD2-OG 2.97Å; S61-Q64 PolarHBondContact O-N 3.29Å; S61-Q65 WeakPolarHBondContact O-CB 3.45Å; S61-Q65 PolarHBondContact O-N 2.91Å
62	F	85.8	Confident	85.9	Confident	64 Å²	64	73.9 Å²	73.9	28%	0.281	36%	0.363	S	S	.	.	H	α-helix	trans	-68.1	-42	178.7	-175.8	-108.1	0	0	0	111.9	M1 T40 D59 E60 Q65 C66	M1-F62 HydrophobicContact CE-CD1 4.03Å; M1-F62 HydrophobicContact CE-CE1 3.61Å; M1-F62 HydrophobicContact SD-CD1 3.87Å; M1-F62 HydrophobicContact SD-CE1 3.89Å; T40-F62 HydrophobicContact CG2-CE1 4.43Å; T40-F62 HydrophobicContact CG2-CZ 3.75Å; D59-F62 HydrophobicContact CB-CB 4.42Å; D59-F62 WeakPolarHBondContact O-CB 3.35Å; D59-F62 PolarHBondContact O-N 3.48Å; E60-F62 PolarHBondContact O-N 2.7Å; F62-Q65 PolarHBondContact O-N 3.42Å; F62-C66 PolarHBondContact O-N 3.12Å; F62-C66 PolarHBondContact O-SG 2.97Å; F62-C66 VanDerWaalsContact O-SG 3.41Å
63	V	86.3	Confident	85.5	Confident	30 Å²	30	76 Å²	76	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-45.3	176.9	174.6	0	0	0	0	110.9	M1 L25 A57 D59 E60 Q65 C66 A67 I95	M1-V63 HydrophobicContact CG-CG2 4.35Å; M1-V63 HydrophobicContact SD-CG2 4.33Å; L25-V63 HydrophobicContact CD1-CG1 3.81Å; A57-V63 HydrophobicContact CB-CG2 3.69Å; D59-V63 PolarHBondContact O-N 3.03Å; E60-V63 PolarHBondContact O-N 3.08Å; V63-Q65 VanDerWaalsContact C-N 3.34Å; V63-Q65 PolarHBondContact O-N 3.47Å; V63-C66 PolarHBondContact O-N 2.94Å; V63-A67 PolarHBondContact O-N 3.44Å; V63-I95 HydrophobicContact CG1-CG2 3.77Å
64	Q	86.1	Confident	85	Confident	59 Å²	59	71.2 Å²	71.2	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-63.2	-40.6	176.8	-69.3	176.7	5.8	0	0	111.7	E60 S61 A67 K68	E60-Q64 WeakPolarHBondContact O-CG 3.47Å; E60-Q64 PolarHBondContact O-N 2.84Å; E60-Q64 VanDerWaalsContact O-N 3.08Å; S61-Q64 PolarHBondContact O-N 3.29Å; Q64-A67 PolarHBondContact O-N 3.12Å; Q64-K68 WeakPolarHBondContact O-CG 3.43Å; Q64-K68 PolarHBondContact O-N 3.37Å
65	Q	88.3	Confident	84.4	Confident	108 Å²	108	66.6 Å²	66.6	51%	0.505	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-41.8	177.5	-167.3	-178.1	27.2	0	0	112	S61 F62 V63 K68 K69	S61-Q65 WeakPolarHBondContact O-CB 3.45Å; S61-Q65 PolarHBondContact O-N 2.91Å; F62-Q65 PolarHBondContact O-N 3.42Å; V63-Q65 VanDerWaalsContact C-N 3.34Å; V63-Q65 PolarHBondContact O-N 3.47Å; Q65-K68 PolarHBondContact O-N 2.89Å; Q65-K69 WeakPolarHBondContact O-CG 3.48Å; Q65-K69 PolarHBondContact O-N 3.23Å; Q65-K69 VanDerWaalsContact O-N 3.07Å
66	C	89.2	Confident	83.8	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.014	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-43.9	173.7	-70.9	0	0	0	0	111.6	L25 F62 V63 K68 K69 A70	L25-C66 HydrophobicContact CB-CB 4.36Å; L25-C66 HydrophobicContact CD2-CB 4.17Å; F62-C66 PolarHBondContact O-N 3.12Å; F62-C66 PolarHBondContact O-SG 2.97Å; F62-C66 VanDerWaalsContact O-SG 3.41Å; V63-C66 PolarHBondContact O-N 2.94Å; C66-K68 PolarHBondContact O-N 3.04Å; C66-K69 PolarHBondContact O-N 3.22Å; C66-A70 WeakPolarHBondContact O-CB 3.45Å; C66-A70 PolarHBondContact O-N 3.05Å
67	A	88.6	Confident	83	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-40.5	177.7	0	0	0	0	0	112.4	L25 V63 Q64 A70 L71 L92 I95	L25-A67 HydrophobicContact CD2-CB 3.95Å; V63-A67 PolarHBondContact O-N 3.44Å; Q64-A67 PolarHBondContact O-N 3.12Å; A67-A70 PolarHBondContact O-N 3.49Å; A67-L71 WeakPolarHBondContact O-CB 3.43Å; A67-L71 PolarHBondContact O-N 3.14Å; A67-L92 HydrophobicContact CB-CD2 4.45Å; A67-I95 HydrophobicContact CB-CB 4.06Å; A67-I95 HydrophobicContact CB-CG2 3.64Å
68	K	88.7	Confident	81.9	Confident	101 Å²	101	66.7 Å²	66.7	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.1	-74.2	-175.6	176.5	-161.8	0	112.4	Q64 Q65 C66 L71 A72 E98	Q64-K68 WeakPolarHBondContact O-CG 3.43Å; Q64-K68 PolarHBondContact O-N 3.37Å; Q65-K68 PolarHBondContact O-N 2.89Å; C66-K68 PolarHBondContact O-N 3.04Å; K68-L71 PolarHBondContact O-N 3.05Å; K68-A72 WeakPolarHBondContact O-CB 3.33Å; K68-A72 PolarHBondContact O-N 3.25Å; K68-E98 WeakPolarHBondContact CE-OE1 3.32Å; K68-E98 IonicContact NZ-OE1 2.84Å; K68-E98 PolarHBondContact NZ-OE1 3.37Å
69	K	90.3	Very high	80.9	Confident	86 Å²	86	60.3 Å²	60.3	37%	0.374	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-41.9	174.8	-72.5	175.4	173.6	176.9	0	112.2	T40 Q65 C66 L71 A72 N73	T40-K69 WeakPolarHBondContact O-CD 3.42Å; T40-K69 PolarHBondContact O-NZ 3.32Å; Q65-K69 WeakPolarHBondContact O-CG 3.48Å; Q65-K69 PolarHBondContact O-N 3.23Å; Q65-K69 VanDerWaalsContact O-N 3.07Å; C66-K69 PolarHBondContact O-N 3.22Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-A72 PolarHBondContact O-N 3.23Å; K69-N73 PolarHBondContact O-N 2.63Å
70	A	89	Confident	79.5	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-43	176.2	0	0	0	0	0	111.8	S38 L44 C66 A67 N73 L74 L92	S38-A70 WeakPolarHBondContact OG-CB 3.23Å; L44-A70 HydrophobicContact CD2-CB 4.33Å; C66-A70 WeakPolarHBondContact O-CB 3.45Å; C66-A70 PolarHBondContact O-N 3.05Å; A67-A70 PolarHBondContact O-N 3.49Å; A70-N73 PolarHBondContact O-N 3.4Å; A70-L74 WeakPolarHBondContact O-CB 3.39Å; A70-L74 PolarHBondContact O-N 3.26Å; A70-L92 HydrophobicContact CB-CD1 3.97Å; A70-L92 HydrophobicContact CB-CD2 3.81Å
71	L	87.8	Confident	78.2	Confident	33 Å²	33	67.5 Å²	67.5	17%	0.173	38%	0.384	C	S	.	.	H	α-helix	trans	-63.9	-44.2	177	-168.9	71	0	0	0	111.3	A67 K68 K69 N73 L74 T75 M89 L92 L93	A67-L71 WeakPolarHBondContact O-CB 3.43Å; A67-L71 PolarHBondContact O-N 3.14Å; K68-L71 PolarHBondContact O-N 3.05Å; K69-L71 VanDerWaalsContact C-N 3.34Å; L71-N73 PolarHBondContact O-N 2.68Å; L71-L74 PolarHBondContact O-N 3.38Å; L71-T75 WeakPolarHBondContact O-CG2 3.45Å; L71-T75 PolarHBondContact O-N 3.34Å; L71-T75 PolarHBondContact O-OG1 3.11Å; L71-T75 VanDerWaalsContact O-OG1 3.12Å; L71-M89 HydrophobicContact CD1-CG 4.25Å; L71-L92 HydrophobicContact CD1-CB 4.14Å; L71-L92 HydrophobicContact CD1-CD1 4.43Å; L71-L93 HydrophobicContact CD1-CG 4.49Å; L71-L93 HydrophobicContact CD2-CD2 3.8Å; L71-L93 HydrophobicContact CD2-CG 4.39Å
72	A	86.7	Confident	77.1	Confident	52 Å²	52	67.6 Å²	67.6	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-59.4	-45.6	177	0	0	0	0	0	112.1	K68 K69 T75 A76	K68-A72 WeakPolarHBondContact O-CB 3.33Å; K68-A72 PolarHBondContact O-N 3.25Å; K69-A72 PolarHBondContact O-N 3.23Å; A72-T75 WeakPolarHBondContact CA-OG1 3.19Å; A72-T75 PolarHBondContact O-N 3.46Å; A72-T75 PolarHBondContact O-OG1 2.97Å; A72-A76 WeakPolarHBondContact O-CB 3.34Å; A72-A76 PolarHBondContact O-N 2.97Å
73	N	84.2	Confident	75.8	Confident	60 Å²	60	74 Å²	74	32%	0.321	40%	0.401	S	S	.	.	H	α-helix	trans	-65	-39.3	176.6	-76.5	-15.1	0	0	0	112.1	D41 G42 T43 K69 A70 L71 T75 A76 S77	D41-N73 PolarHBondContact O-ND2 3.1Å; G42-N73 WeakPolarHBondContact CA-ND2 3.44Å; G42-N73 PolarHBondContact O-ND2 3.32Å; T43-N73 PolarHBondContact N-ND2 3.37Å; K69-N73 PolarHBondContact O-N 2.63Å; A70-N73 PolarHBondContact O-N 3.4Å; L71-N73 PolarHBondContact O-N 2.68Å; N73-T75 VanDerWaalsContact C-N 3.33Å; N73-T75 PolarHBondContact O-N 3.28Å; N73-A76 PolarHBondContact O-N 3.5Å; N73-S77 PolarHBondContact O-N 3.05Å; N73-S77 PolarHBondContact O-OG 3.37Å
74	L	82.5	Confident	74.9	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.016	41%	0.409	C	S	.	.	H	α-helix	trans	-65.8	-34.9	177.7	-170	66.2	0	0	0	112.7	L44 A70 L71 L82 K85 L88 M89 L92	L44-L74 HydrophobicContact CD1-CB 4.09Å; L44-L74 HydrophobicContact CD1-CD1 3.9Å; L44-L74 HydrophobicContact CD1-CG 4.46Å; A70-L74 WeakPolarHBondContact O-CB 3.39Å; A70-L74 PolarHBondContact O-N 3.26Å; L71-L74 PolarHBondContact O-N 3.38Å; L74-L82 HydrophobicContact CD1-CD1 3.72Å; L74-K85 HydrophobicContact CD1-CG 4.21Å; L74-K85 HydrophobicContact CD2-CG 4.4Å; L74-K85 HydrophobicContact CG-CG 4.28Å; L74-K85 WeakPolarHBondContact O-CE 3.46Å; L74-K85 PolarHBondContact O-NZ 3Å; L74-L88 HydrophobicContact CD1-CD2 3.89Å; L74-L88 HydrophobicContact CD2-CB 4.3Å; L74-L88 HydrophobicContact CD2-CD2 3.86Å; L74-L88 HydrophobicContact CD2-CG 3.86Å; L74-M89 HydrophobicContact CD2-CG 3.52Å; L74-M89 HydrophobicContact CG-CG 4.44Å; L74-L92 HydrophobicContact CD2-CD1 4.19Å
75	T	80	Confident	74.4	Confident	89 Å²	89	74.7 Å²	74.7	55%	0.546	41%	0.411	S	S	.	.	H	α-helix	trans	-75.2	-30.7	174.7	52.4	0	0	0	0	113	L71 A72 N73	L71-T75 WeakPolarHBondContact O-CG2 3.45Å; L71-T75 PolarHBondContact O-N 3.34Å; L71-T75 PolarHBondContact O-OG1 3.11Å; L71-T75 VanDerWaalsContact O-OG1 3.12Å; A72-T75 WeakPolarHBondContact CA-OG1 3.19Å; A72-T75 PolarHBondContact O-N 3.46Å; A72-T75 PolarHBondContact O-OG1 2.97Å; N73-T75 VanDerWaalsContact C-N 3.33Å; N73-T75 PolarHBondContact O-N 3.28Å
76	A	76.6	Confident	73.9	Confident	76 Å²	76	75.1 Å²	75.1	63%	0.628	42%	0.416	S	S	*	.	H	α-helix	trans	-79.7	-28.5	179.1	0	0	0	0	0	113.1	A72 N73 S78	A72-A76 WeakPolarHBondContact O-CB 3.34Å; A72-A76 PolarHBondContact O-N 2.97Å; N73-A76 PolarHBondContact O-N 3.5Å; A76-S78 PolarHBondContact O-N 3.15Å
77	S	64.2	Low	73.5	Confident	64 Å²	64	79.7 Å²	79.7	45%	0.448	44%	0.441	S	S	.	.			trans	-79.8	107.8	177.1	-64.4	0	0	0	0	111.5	N73 S79 K85	N73-S77 PolarHBondContact O-N 3.05Å; N73-S77 PolarHBondContact O-OG 3.37Å; S77-S79 PolarHBondContact O-N 3.02Å; S77-K85 PolarHBondContact O-NZ 3.34Å
78	S	52.7	Low	73.3	Confident	125 Å²	125	79.8 Å²	79.8	87%	0.874	44%	0.441	S	S	*	.			trans	-77.8	17	170.7	52.7	0	0	0	0	113.8	A76	A76-S78 PolarHBondContact O-N 3.15Å
79	S	47.5	Very low	73.1	Confident	52 Å²	52	77.7 Å²	77.7	36%	0.364	43%	0.434	S	S	.	.			trans	-89.3	124	-177.1	159.7	0	0	0	0	111.2	S77 E81	S77-S79 PolarHBondContact O-N 3.02Å; S79-E81 PolarHBondContact O-N 2.96Å; S79-E81 VanDerWaalsContact OG-CB 3.27Å; S79-E81 WeakPolarHBondContact OG-CB 3.2Å; S79-E81 WeakPolarHBondContact OG-CG 3.49Å; S79-E81 PolarHBondContact OG-N 3.41Å; S79-E81 PolarHBondContact OG-OE2 3.47Å
80	D	50.3	Low	72.7	Confident	174 Å²	174	80.3 Å²	80.3	93%	0.93	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	8.5	173.3	-87.3	-30.2	0	0	0	114	L82	D80-L82 PolarHBondContact O-N 3.13Å
81	E	54.8	Low	72.5	Confident	175 Å²	175	86.1 Å²	86.1	82%	0.818	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.3	-169.7	-67.7	173.3	153.9	0	0	114.8	S79	S79-E81 PolarHBondContact O-N 2.96Å; S79-E81 VanDerWaalsContact OG-CB 3.27Å; S79-E81 WeakPolarHBondContact OG-CB 3.2Å; S79-E81 WeakPolarHBondContact OG-CG 3.49Å; S79-E81 PolarHBondContact OG-N 3.41Å; S79-E81 PolarHBondContact OG-OE2 3.47Å
82	L	59.4	Low	72.4	Confident	67 Å²	67	84.6 Å²	84.6	35%	0.351	46%	0.459	S	S	.	.	S	Bend	trans	-100.8	101.8	-179.8	-77.8	161.3	0	0	0	111.8	L74 D80 G84	L74-L82 HydrophobicContact CD1-CD1 3.72Å; D80-L82 PolarHBondContact O-N 3.13Å; L82-G84 PolarHBondContact O-N 2.97Å
83	R	58.1	Low	72.4	Confident	197 Å²	197	86 Å²	86	74%	0.743	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	128.4	170.1	-85.2	-172.5	178.7	-123.3	-4.2	111.1	R28	R28-R83 PolarHBondContact NH2-O 3.27Å
84	G	67.8	Low	72.4	Confident	33 Å²	33	89 Å²	89	34%	0.34	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	38.5	176.9	0	0	0	0	0	114	L82 D86 D87 L88	L82-G84 PolarHBondContact O-N 2.97Å; G84-D86 PolarHBondContact O-N 2.6Å; G84-D87 PolarHBondContact O-N 3.21Å; G84-L88 WeakPolarHBondContact O-CB 3.33Å; G84-L88 PolarHBondContact O-N 3.25Å
85	K	75.3	Confident	72.3	Confident	72 Å²	72	90.6 Å²	90.6	31%	0.313	48%	0.479	S	S	.	.	H	α-helix	trans	-51.5	-40.2	177.1	-174.4	172.1	-177.5	166.8	0	112.7	L74 S77 L88 M89	L74-K85 HydrophobicContact CD1-CG 4.21Å; L74-K85 HydrophobicContact CD2-CG 4.4Å; L74-K85 HydrophobicContact CG-CG 4.28Å; L74-K85 WeakPolarHBondContact O-CE 3.46Å; L74-K85 PolarHBondContact O-NZ 3Å; S77-K85 PolarHBondContact O-NZ 3.34Å; K85-L88 WeakPolarHBondContact O-CB 3.49Å; K85-L88 PolarHBondContact O-N 3.38Å; K85-M89 WeakPolarHBondContact O-CG 3.3Å; K85-M89 PolarHBondContact O-N 3.27Å
86	D	78	Confident	72.3	Confident	116 Å²	116	86.7 Å²	86.7	62%	0.62	46%	0.455	S	S	*	.	H	α-helix	trans	-67.3	-43.9	-179.2	-61.9	-29.2	0	0	0	112.6	G84 L88 M89 K90	G84-D86 PolarHBondContact O-N 2.6Å; D86-L88 VanDerWaalsContact C-N 3.3Å; D86-L88 PolarHBondContact O-N 2.93Å; D86-M89 PolarHBondContact O-N 3.33Å; D86-K90 WeakPolarHBondContact O-CG 3.12Å; D86-K90 PolarHBondContact O-N 3Å
87	D	82	Confident	71.7	Confident	99 Å²	99	90.5 Å²	90.5	53%	0.529	45%	0.453	S	S	.	.	H	α-helix	trans	-65.4	-38.2	176.2	-66.4	-29.9	0	0	0	111.2	G84 K90 R91	G84-D87 PolarHBondContact O-N 3.21Å; D87-K90 PolarHBondContact O-N 3.4Å; D87-R91 WeakPolarHBondContact O-CB 3.4Å; D87-R91 PolarHBondContact O-N 2.91Å
88	L	83.2	Confident	70.9	Confident	2 Å²	2	93.3 Å²	93.3	1%	0.01	46%	0.459	C	S	.	.	H	α-helix	trans	-63.8	-43.3	174.9	-176.8	59.3	0	0	0	111.5	I27 L36 L44 L74 G84 K85 D86 R91 L92	I27-L88 HydrophobicContact CD1-CD1 4.27Å; I27-L88 HydrophobicContact CG2-CD1 3.55Å; L36-L88 HydrophobicContact CD2-CD1 3.65Å; L36-L88 HydrophobicContact CD2-CD2 4.08Å; L36-L88 HydrophobicContact CD2-CG 4.47Å; L44-L88 HydrophobicContact CD1-CD2 4.07Å; L74-L88 HydrophobicContact CD1-CD2 3.89Å; L74-L88 HydrophobicContact CD2-CB 4.3Å; L74-L88 HydrophobicContact CD2-CD2 3.86Å; L74-L88 HydrophobicContact CD2-CG 3.86Å; G84-L88 WeakPolarHBondContact O-CB 3.33Å; G84-L88 PolarHBondContact O-N 3.25Å; K85-L88 WeakPolarHBondContact O-CB 3.49Å; K85-L88 PolarHBondContact O-N 3.38Å; D86-L88 VanDerWaalsContact C-N 3.3Å; D86-L88 PolarHBondContact O-N 2.93Å; L88-R91 PolarHBondContact O-N 3.47Å; L88-L92 HydrophobicContact CD1-CD1 4.44Å; L88-L92 HydrophobicContact CG-CD1 4.29Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 3.45Å
89	M	84.1	Confident	69.9	Low	57 Å²	57	95.7 Å²	95.7	28%	0.281	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-48.3	174.2	-79.5	-176.2	64.9	0	0	111.6	L71 L74 K85 D86 R91 L92 L93	L71-M89 HydrophobicContact CD1-CG 4.25Å; L74-M89 HydrophobicContact CD2-CG 3.52Å; L74-M89 HydrophobicContact CG-CG 4.44Å; K85-M89 WeakPolarHBondContact O-CG 3.3Å; K85-M89 PolarHBondContact O-N 3.27Å; D86-M89 PolarHBondContact O-N 3.33Å; M89-R91 VanDerWaalsContact C-N 3.28Å; M89-R91 PolarHBondContact O-N 2.91Å; M89-L92 PolarHBondContact O-N 3.32Å; M89-L93 WeakPolarHBondContact O-CB 3.46Å; M89-L93 WeakPolarHBondContact O-CG 3.32Å; M89-L93 PolarHBondContact O-N 3.4Å
90	K	83.7	Confident	69.3	Low	141 Å²	141	99 Å²	99	61%	0.613	47%	0.474	S	S	*	.	H	α-helix	trans	-56.8	-43	176.1	-74.7	176.5	-177.1	172.4	0	111.5	D86 D87 L93 Q94	D86-K90 WeakPolarHBondContact O-CG 3.12Å; D86-K90 PolarHBondContact O-N 3Å; D87-K90 PolarHBondContact O-N 3.4Å; K90-L93 PolarHBondContact O-N 3.23Å; K90-Q94 WeakPolarHBondContact O-CB 3.46Å; K90-Q94 PolarHBondContact O-N 3.02Å
91	R	83.2	Confident	68.5	Low	122 Å²	122	98.4 Å²	98.4	46%	0.46	47%	0.471	S	S	.	.	H	α-helix	trans	-67.8	-42.3	-179.8	-164.8	60.9	171.7	-174.7	-4.3	112.5	I27 D87 L88 M89 Q94 I95	I27-R91 HydrophobicContact CG2-CB 4.39Å; I27-R91 HydrophobicContact CG2-CG 4.02Å; D87-R91 WeakPolarHBondContact O-CB 3.4Å; D87-R91 PolarHBondContact O-N 2.91Å; L88-R91 PolarHBondContact O-N 3.47Å; M89-R91 VanDerWaalsContact C-N 3.28Å; M89-R91 PolarHBondContact O-N 2.91Å; R91-Q94 WeakPolarHBondContact O-CB 3.42Å; R91-Q94 PolarHBondContact O-N 3.31Å; R91-I95 HydrophobicContact CG-CD1 4.49Å; R91-I95 VanDerWaalsContact O-CG1 3.3Å; R91-I95 WeakPolarHBondContact O-CG1 3.28Å; R91-I95 PolarHBondContact O-N 3.01Å
92	L	86.4	Confident	67.3	Low	0 Å²	0	98 Å²	98	0%	0	47%	0.469	C	S	.	.	H	α-helix	trans	-65.5	-41.1	175.9	-73.2	173	0	0	0	111.9	L25 I27 A67 A70 L71 L74 L88 M89 Q94 I95 C96	L25-L92 HydrophobicContact CD2-CD2 4.44Å; I27-L92 HydrophobicContact CD1-CD2 3.98Å; I27-L92 HydrophobicContact CG1-CD2 4.32Å; A67-L92 HydrophobicContact CB-CD2 4.45Å; A70-L92 HydrophobicContact CB-CD1 3.97Å; A70-L92 HydrophobicContact CB-CD2 3.81Å; L71-L92 HydrophobicContact CD1-CB 4.14Å; L71-L92 HydrophobicContact CD1-CD1 4.43Å; L74-L92 HydrophobicContact CD2-CD1 4.19Å; L88-L92 HydrophobicContact CD1-CD1 4.44Å; L88-L92 HydrophobicContact CG-CD1 4.29Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 3.45Å; M89-L92 PolarHBondContact O-N 3.32Å; L92-Q94 VanDerWaalsContact C-N 3.34Å; L92-Q94 PolarHBondContact O-N 3.1Å; L92-I95 PolarHBondContact O-N 3.45Å; L92-C96 PolarHBondContact O-N 2.94Å; L92-C96 PolarHBondContact O-SG 2.93Å; L92-C96 VanDerWaalsContact O-SG 3.33Å
93	L	85.7	Confident	65.9	Low	81 Å²	81	102.1 Å²	102.1	42%	0.424	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-41.6	173.8	-74.9	169.6	0	0	0	111.9	L71 M89 K90 I95 C96	L71-L93 HydrophobicContact CD1-CG 4.49Å; L71-L93 HydrophobicContact CD2-CD2 3.8Å; L71-L93 HydrophobicContact CD2-CG 4.39Å; M89-L93 WeakPolarHBondContact O-CB 3.46Å; M89-L93 WeakPolarHBondContact O-CG 3.32Å; M89-L93 PolarHBondContact O-N 3.4Å; K90-L93 PolarHBondContact O-N 3.23Å; L93-I95 VanDerWaalsContact C-N 3.3Å; L93-I95 PolarHBondContact O-N 2.67Å; L93-C96 WeakPolarHBondContact O-CB 3.37Å; L93-C96 PolarHBondContact O-N 3.06Å
94	Q	84.8	Confident	64.6	Low	125 Å²	125	99.3 Å²	99.3	58%	0.584	50%	0.497	S	S	*	.	H	α-helix	trans	-60.6	-39.5	174.6	-170.6	177.4	19.9	0	0	111.9	K90 R91 L92 R97	K90-Q94 WeakPolarHBondContact O-CB 3.46Å; K90-Q94 PolarHBondContact O-N 3.02Å; R91-Q94 WeakPolarHBondContact O-CB 3.42Å; R91-Q94 PolarHBondContact O-N 3.31Å; L92-Q94 VanDerWaalsContact C-N 3.34Å; L92-Q94 PolarHBondContact O-N 3.1Å; Q94-R97 PolarHBondContact O-N 3.37Å
95	I	81.6	Confident	62.8	Low	36 Å²	36	103.7 Å²	103.7	19%	0.185	52%	0.517	C	S	.	.	H	α-helix	trans	-69.3	-33.2	176.9	-64.2	164.7	0	0	0	111.5	L25 V63 A67 R91 L92 L93 R97	L25-I95 HydrophobicContact CD1-CG2 4.47Å; V63-I95 HydrophobicContact CG1-CG2 3.77Å; A67-I95 HydrophobicContact CB-CB 4.06Å; A67-I95 HydrophobicContact CB-CG2 3.64Å; R91-I95 HydrophobicContact CG-CD1 4.49Å; R91-I95 VanDerWaalsContact O-CG1 3.3Å; R91-I95 WeakPolarHBondContact O-CG1 3.28Å; R91-I95 PolarHBondContact O-N 3.01Å; L92-I95 PolarHBondContact O-N 3.45Å; L93-I95 VanDerWaalsContact C-N 3.3Å; L93-I95 PolarHBondContact O-N 2.67Å; I95-R97 PolarHBondContact O-N 3.05Å
96	C	78.2	Confident	60.4	Low	6 Å²	6	105.9 Å²	105.9	4%	0.041	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.3	176.5	-72.1	0	0	0	0	114.1	L92 L93 E98	L92-C96 PolarHBondContact O-N 2.94Å; L92-C96 PolarHBondContact O-SG 2.93Å; L92-C96 VanDerWaalsContact O-SG 3.33Å; L93-C96 WeakPolarHBondContact O-CB 3.37Å; L93-C96 PolarHBondContact O-N 3.06Å; C96-E98 PolarHBondContact O-N 3.26Å; C96-E98 VanDerWaalsContact O-N 3.14Å
97	R	65.6	Low	57.9	Low	156 Å²	156	105.9 Å²	105.9	59%	0.589	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	35.3	-179	-67.8	-169.7	-178.6	163	5.7	114.1	E60 Q94 I95 K99	E60-R97 IonicContact OE1-CZ 3.91Å; E60-R97 IonicContact OE1-NH1 3.64Å; E60-R97 PolarHBondContact OE1-NH1 3.1Å; E60-R97 IonicContact OE1-NH2 3.21Å; E60-R97 PolarHBondContact OE1-NH2 3.36Å; E60-R97 IonicContact OE2-CZ 3.25Å; E60-R97 IonicContact OE2-NH1 3.62Å; E60-R97 PolarHBondContact OE2-NH1 3.17Å; Q94-R97 PolarHBondContact O-N 3.37Å; I95-R97 PolarHBondContact O-N 3.05Å; R97-K99 PolarHBondContact O-N 3.48Å
98	E	46.6	Very low	55.2	Low	124 Å²	124	109.8 Å²	109.8	58%	0.579	56%	0.561	S	S	*	*			trans	-82.5	113.5	165.9	-75.3	175.5	-171.6	0	0	107.7	K68 C96	K68-E98 WeakPolarHBondContact CE-OE1 3.32Å; K68-E98 IonicContact NZ-OE1 2.84Å; K68-E98 PolarHBondContact NZ-OE1 3.37Å; C96-E98 PolarHBondContact O-N 3.26Å; C96-E98 VanDerWaalsContact O-N 3.14Å
99	K	32.4	Very low	52.8	Low	174 Å²	174	117.2 Å²	117.2	76%	0.757	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-62.5	132.2	173.4	-76.1	-175.7	172.6	-172	0	108.5	R97 N101	R97-K99 PolarHBondContact O-N 3.48Å; K99-N101 PolarHBondContact O-N 3.36Å
100	P	34.1	Very low	50.2	Low	121 Å²	121	124 Å²	124	79%	0.786	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-63.1	129.5	163.3	28	-29.5	0	0	0	107.2	E102	P100-E102 PolarHBondContact O-N 3.21Å
101	N	34.1	Very low	47.6	Very low	162 Å²	162	121.6 Å²	121.6	87%	0.866	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-50.9	130.4	179	-89.8	-24.7	0	0	0	110.6	K99 N103	K99-N101 PolarHBondContact O-N 3.36Å; N101-N103 PolarHBondContact O-N 3.35Å
102	E	29.9	Very low	45.1	Very low	168 Å²	168	123.1 Å²	123.1	79%	0.785	64%	0.638	S	S	*	*	S	Bend	trans	-61	94.7	173.9	-70.7	171	179.6	0	0	109.6	P100	P100-E102 PolarHBondContact O-N 3.21Å
103	N	30.3	Very low	42.3	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	68%	0.679	S	S	*	*			trans	-168.2	81.4	154.2	-87.3	-23.7	0	0	0	105.1	N101	N101-N103 PolarHBondContact O-N 3.35Å
104	T	29.5	Very low	39.7	Very low	138 Å²	138	135 Å²	135	85%	0.847	69%	0.693	S	S	*	*			trans	171.7	123.9	142.3	-62.7	0	0	0	0	108.2
105	T	29.4	Very low	37.1	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	70%	0.702	S	S	*	*			trans	-52.5	157	173.7	16.7	0	0	0	0	113.9
106	P	26.2	Very low	34.7	Very low	118 Å²	118	139.9 Å²	139.9	77%	0.766	73%	0.731	S	S	*	*	S	Bend	trans	-82.4	159.8	-176.1	35.3	-32.4	0	0	0	111.8
107	C	24.2	Very low	32.5	Very low	117 Å²	117	145.8 Å²	145.8	79%	0.791	77%	0.766	S	S	*	*	S	Bend	trans	83.4	138.1	-177.5	-86.1	0	0	0	0	115.4
108	E	26.7	Very low	31	Very low	181 Å²	181	145 Å²	145	85%	0.846	77%	0.772	S	S	*	*			trans	75.6	128.9	178.9	-49.2	173	179.8	0	0	110.1
109	E	32.3	Very low	30.5	Very low	157 Å²	157	147.8 Å²	147.8	73%	0.734	79%	0.785	S	S	*	*				-174.2	123.6	65.7	-78.5	170.6	157.5	0	0	107.2	S111	E109-S111 PolarHBondContact O-N 3.19Å
110	F	29	Very low	30.6	Very low	199 Å²	199	148.8 Å²	148.8	87%	0.873	79%	0.79	S	S	*	*				-20	89.6	114.7	-78.7	-93.1	0	0	0	112
111	S	30	Very low	30.5	Very low	92 Å²	92	149.1 Å²	149.1	64%	0.643	79%	0.792	S	S	*	*			trans	172.5	94.2	156.8	-84.9	0	0	0	0	110.5	E109	E109-S111 PolarHBondContact O-N 3.19Å
112	E	31.2	Very low	30.6	Very low	153 Å²	153	147.9 Å²	147.9	72%	0.715	79%	0.79	S	S	*	*			trans	-163.4	49.6	142.6	-109.2	175	-172.2	0	0	112.6	K114	E112-K114 HydrophobicContact CG-CD 4.2Å; E112-K114 HydrophobicContact CG-CG 4.35Å; E112-K114 PolarHBondContact O-N 3.12Å; E112-K114 IonicContact OE1-NZ 3.89Å; E112-K114 PolarHBondContact OE1-NZ 2.87Å
113	L	27.6	Very low	30.7	Very low	168 Å²	168	145 Å²	145	88%	0.88	79%	0.788	S	S	*	*			trans	-81.6	74	146.9	-79.9	165.4	0	0	0	107.5	I115	L113-I115 PolarHBondContact O-N 2.94Å
114	K	30	Very low	30.9	Very low	163 Å²	163	146.6 Å²	146.6	71%	0.709	79%	0.793	S	S	*	*			trans	-79.9	95.8	167.8	-87	175.1	-176.2	149.5	0	108.6	E112 S116	E112-K114 HydrophobicContact CG-CD 4.2Å; E112-K114 HydrophobicContact CG-CG 4.35Å; E112-K114 PolarHBondContact O-N 3.12Å; E112-K114 IonicContact OE1-NZ 3.89Å; E112-K114 PolarHBondContact OE1-NZ 2.87Å; K114-S116 PolarHBondContact O-N 3.16Å; K114-S116 VanDerWaalsContact O-N 3.14Å
115	I	30.3	Very low	31	Very low	150 Å²	150	147.1 Å²	147.1	77%	0.769	80%	0.796	S	S	*	*			trans	-55.2	112.2	159.4	-66.5	168.4	0	0	0	106.8	L113 V117	L113-I115 PolarHBondContact O-N 2.94Å; I115-V117 PolarHBondContact O-N 3.23Å
116	S	31.7	Very low	31.4	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	80%	0.797	S	S	*	*			trans	-62.9	98.8	176.5	51.2	0	0	0	0	109.9	K114	K114-S116 PolarHBondContact O-N 3.16Å; K114-S116 VanDerWaalsContact O-N 3.14Å
117	V	31.7	Very low	31.7	Very low	130 Å²	130	145.6 Å²	145.6	79%	0.788	80%	0.8	S	S	*	*			trans	-76.2	123.2	164.6	176	0	0	0	0	107.9	I115 E119	I115-V117 PolarHBondContact O-N 3.23Å; V117-E119 PolarHBondContact O-N 3.49Å
118	I	33.3	Very low	32.2	Very low	139 Å²	139	146.8 Å²	146.8	71%	0.713	80%	0.803	S	S	*	*			trans	-42.8	127.7	177.3	-66.8	159.8	0	0	0	111.8
119	E	36	Very low	32.6	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-57.6	137.4	179.2	-66.3	178.2	152.5	0	0	112.9	V117	V117-E119 PolarHBondContact O-N 3.49Å
120	K	34.5	Very low	32.6	Very low	195 Å²	195	142.5 Å²	142.5	85%	0.848	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-81.6	138.7	162.7	-75.3	177.7	176.8	174.4	0	109.3
121	P	32.1	Very low	33.2	Very low	128 Å²	128	140.8 Å²	140.8	83%	0.831	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-87.7	144.3	-179.4	34.6	-31.3	0	0	0	111.5
122	V	37	Very low	33.5	Very low	136 Å²	136	142.4 Å²	142.4	82%	0.824	82%	0.815	S	S	*	*			trans	-117.1	112.8	168.8	178.2	0	0	0	0	109.4
123	S	31.5	Very low	33.6	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	82%	0.817	S	S	*	*			trans	54.2	94.5	146.4	-51.8	0	0	0	0	120.6
124	M	35.2	Very low	33.9	Very low	188 Å²	188	141.8 Å²	141.8	93%	0.926	82%	0.82	S	S	*	*			trans	-138.4	128.4	141.4	-80.2	-78.1	-112.3	0	0	108.9
125	T	32.2	Very low	34.2	Very low	148 Å²	148	142 Å²	142	91%	0.908	82%	0.823	S	S	*	*			trans	-46.8	127.6	177.5	43.8	0	0	0	0	114.3
126	G	36.2	Very low	34.6	Very low	76 Å²	76	140.3 Å²	140.3	78%	0.784	83%	0.825	S	S	*	*			trans	170.4	115.7	171.2	0	0	0	0	0	113.2
127	T	32.5	Very low	35.5	Very low	134 Å²	134	139.2 Å²	139.2	82%	0.822	82%	0.817	S	S	*	*			trans	-60.6	148.8	-171	-37.9	0	0	0	0	115.6
128	V	35.9	Very low	37.1	Very low	142 Å²	142	138.2 Å²	138.2	86%	0.861	82%	0.816	S	S	*	*			trans	95.1	116.3	153.5	-164.4	0	0	0	0	118.9
129	G	34.8	Very low	38.8	Very low	76 Å²	76	133.2 Å²	133.2	78%	0.784	79%	0.791	S	S	*	*			trans	124.8	92.1	140.5	0	0	0	0	0	118.2
130	L	32.7	Very low	40.8	Very low	173 Å²	173	128.2 Å²	128.2	91%	0.906	77%	0.774	S	S	*	*			trans	-73.2	126.7	174.4	-74.4	139.2	0	0	0	113.8
131	I	41.1	Very low	42.7	Very low	163 Å²	163	128.6 Å²	128.6	84%	0.836	78%	0.775	S	S	*	*			trans	-159.9	123.7	140.9	-49.5	-177.2	0	0	0	110
132	P	35.2	Very low	44.8	Very low	126 Å²	126	126.2 Å²	126.2	82%	0.818	76%	0.756	S	S	*	*			trans	-99.2	124.1	169.1	33.6	-23.9	0	0	0	111.6
133	A	35	Very low	47	Very low	91 Å²	91	123 Å²	123	75%	0.752	73%	0.731	S	S	*	*			trans	-101.4	119.7	173.1	0	0	0	0	0	111	Q135	A133-Q135 PolarHBondContact O-N 3.49Å
134	K	33.9	Very low	49.6	Very low	216 Å²	216	119.6 Å²	119.6	94%	0.939	70%	0.703	S	S	*	*			trans	-53.1	114.5	168.2	-86.8	173.3	167	178.1	0	110.4
135	Q	35.5	Very low	52	Low	167 Å²	167	112.7 Å²	112.7	78%	0.78	67%	0.673	S	S	*	*			trans	-93	105.5	163.9	-73.8	-178.2	-9.4	0	0	108.7	A133 S137	A133-Q135 PolarHBondContact O-N 3.49Å; Q135-S137 PolarHBondContact O-N 2.98Å
136	S	38.9	Very low	54.5	Low	116 Å²	116	108.5 Å²	108.5	81%	0.811	65%	0.649	S	S	*	*			trans	-70.8	107.8	165.4	50	0	0	0	0	108.8	S138	S136-S138 PolarHBondContact O-N 2.94Å
137	S	51	Low	57	Low	90 Å²	90	107 Å²	107	63%	0.629	62%	0.623	S	S	*	*			trans	-78.1	99	177.7	53.8	0	0	0	0	110.5	Q135	Q135-S137 PolarHBondContact O-N 2.98Å
138	S	64	Low	59.8	Low	109 Å²	109	100.7 Å²	100.7	76%	0.762	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-73.6	140.8	169.3	55.7	0	0	0	0	110.8	S136	S136-S138 PolarHBondContact O-N 2.94Å
139	L	69.2	Low	62.3	Low	34 Å²	34	95.1 Å²	95.1	18%	0.178	55%	0.55	C	S	.	.	P	Polyproline II helix	trans	-60.5	146.9	172.9	-76.3	108.2	0	0	0	111.6	F143 N182 F183 Y186	L139-F143 HydrophobicContact CB-CB 4.44Å; L139-F143 HydrophobicContact CD2-CB 4.23Å; L139-F143 HydrophobicContact CD2-CD1 3.37Å; L139-F143 HydrophobicContact CD2-CD2 3.84Å; L139-F143 HydrophobicContact CD2-CE1 3.53Å; L139-F143 HydrophobicContact CD2-CE2 3.99Å; L139-F143 HydrophobicContact CD2-CG 3.52Å; L139-F143 HydrophobicContact CD2-CZ 3.84Å; L139-N182 HydrophobicContact CD1-CB 3.7Å; L139-N182 WeakPolarHBondContact CD1-O 3.48Å; L139-F183 HydrophobicContact CD1-CD1 4.13Å; L139-F183 HydrophobicContact CD1-CE1 3.89Å; L139-F183 HydrophobicContact CD1-CZ 4.38Å; L139-F183 HydrophobicContact CD2-CE1 3.88Å; L139-F183 HydrophobicContact CD2-CZ 4.36Å; L139-Y186 HydrophobicContact CB-CE2 4.3Å
140	P	78.1	Confident	64.9	Low	77 Å²	77	95.5 Å²	95.5	50%	0.5	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-54.2	143.4	171.4	-23.2	32.9	0	0	0	111.7	N142 F143 Y186	P140-N142 WeakPolarHBondContact CB-OD1 3.39Å; P140-N142 PolarHBondContact O-N 3.47Å; P140-F143 WeakPolarHBondContact O-CB 3.26Å; P140-F143 PolarHBondContact O-N 3.17Å; P140-Y186 PolarHBondContact O-OH 3.25Å
141	K	73.6	Confident	67.7	Low	203 Å²	203	88.7 Å²	88.7	88%	0.883	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28	-177.4	-68.3	-174.5	177	-175.7	0	114.1
142	N	78.3	Confident	70.1	Confident	79 Å²	79	81.8 Å²	81.8	42%	0.422	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	14.3	-179.9	64.9	-34.6	0	0	0	112.9	P140 E144 S145 C146	P140-N142 WeakPolarHBondContact CB-OD1 3.39Å; P140-N142 PolarHBondContact O-N 3.47Å; N142-E144 PolarHBondContact O-N 3.43Å; N142-S145 PolarHBondContact O-N 2.67Å; N142-S145 PolarHBondContact O-OG 2.85Å; N142-S145 VanDerWaalsContact O-OG 3.1Å; N142-C146 PolarHBondContact ND2-SG 3.07Å; N142-C146 WeakPolarHBondContact O-CB 3.38Å; N142-C146 PolarHBondContact O-N 3.05Å; N142-C146 PolarHBondContact O-SG 3.35Å; N142-C146 VanDerWaalsContact O-SG 3.35Å
143	F	83	Confident	72.6	Confident	69 Å²	69	81.3 Å²	81.3	30%	0.303	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-43.6	-176.4	-179.6	-99.2	0	0	0	112.3	L139 P140 L147 Y166 F183	L139-F143 HydrophobicContact CB-CB 4.44Å; L139-F143 HydrophobicContact CD2-CB 4.23Å; L139-F143 HydrophobicContact CD2-CD1 3.37Å; L139-F143 HydrophobicContact CD2-CD2 3.84Å; L139-F143 HydrophobicContact CD2-CE1 3.53Å; L139-F143 HydrophobicContact CD2-CE2 3.99Å; L139-F143 HydrophobicContact CD2-CG 3.52Å; L139-F143 HydrophobicContact CD2-CZ 3.84Å; P140-F143 WeakPolarHBondContact O-CB 3.26Å; P140-F143 PolarHBondContact O-N 3.17Å; F143-L147 HydrophobicContact CE1-CD2 4.01Å; F143-L147 HydrophobicContact CZ-CD2 4.1Å; F143-L147 WeakPolarHBondContact O-CB 3.32Å; F143-L147 PolarHBondContact O-N 2.98Å; F143-Y166 HydrophobicContact CD1-CE2 4.31Å; F143-Y166 HydrophobicContact CE1-CE2 4.29Å; F143-F183 HydrophobicContact CE1-CE1 4.45Å
144	E	85.1	Confident	75.1	Confident	35 Å²	35	79.8 Å²	79.8	16%	0.164	45%	0.448	C	S	.	.	H	α-helix	trans	-57.5	-56	176.8	177.4	170.4	176.8	0	0	111.1	N142 C146 L147 V148 R163 Y166 Y167	N142-E144 PolarHBondContact O-N 3.43Å; E144-C146 PolarHBondContact O-N 3.43Å; E144-L147 PolarHBondContact O-N 3.02Å; E144-V148 HydrophobicContact CG-CG2 4.35Å; E144-V148 WeakPolarHBondContact O-CB 3.46Å; E144-V148 VanDerWaalsContact O-CG2 3.28Å; E144-V148 WeakPolarHBondContact O-CG2 3.33Å; E144-V148 PolarHBondContact O-N 3.21Å; E144-R163 IonicContact OE1-NE 3.81Å; E144-Y166 HydrophobicContact CB-CE1 4.05Å; E144-Y166 HydrophobicContact CB-CE2 4.14Å; E144-Y166 HydrophobicContact CG-CD1 3.89Å; E144-Y166 HydrophobicContact CG-CE1 3.51Å; E144-Y166 HydrophobicContact CG-CE2 4.23Å; E144-Y166 HydrophobicContact CG-CG 4.38Å; E144-Y167 PolarHBondContact OE1-OH 3.29Å
145	S	85.6	Confident	77.6	Confident	42 Å²	42	73 Å²	73	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-61.9	-43.3	-177.8	55.8	0	0	0	0	112.3	N142 L147 V148 D149	N142-S145 PolarHBondContact O-N 2.67Å; N142-S145 PolarHBondContact O-OG 2.85Å; N142-S145 VanDerWaalsContact O-OG 3.1Å; S145-L147 PolarHBondContact O-N 3.46Å; S145-V148 PolarHBondContact O-N 3.18Å; S145-D149 VanDerWaalsContact O-CB 3.31Å; S145-D149 WeakPolarHBondContact O-CB 3.32Å; S145-D149 PolarHBondContact O-N 3.11Å
146	C	85.8	Confident	79.9	Confident	60 Å²	60	70.1 Å²	70.1	41%	0.405	41%	0.414	S	S	.	.	H	α-helix	trans	-61.1	-42.1	176	-74	0	0	0	0	112.7	N142 E144 T150	N142-C146 PolarHBondContact ND2-SG 3.07Å; N142-C146 WeakPolarHBondContact O-CB 3.38Å; N142-C146 PolarHBondContact O-N 3.05Å; N142-C146 PolarHBondContact O-SG 3.35Å; N142-C146 VanDerWaalsContact O-SG 3.35Å; E144-C146 PolarHBondContact O-N 3.43Å; C146-T150 VanDerWaalsContact O-CB 3.32Å; C146-T150 WeakPolarHBondContact O-CB 3.48Å; C146-T150 PolarHBondContact O-N 3.32Å; C146-T150 PolarHBondContact O-OG1 3.48Å
147	L	88.5	Confident	82.1	Confident	46 Å²	46	67 Å²	67	24%	0.241	39%	0.392	C	S	.	.	H	α-helix	trans	-70.5	-43.1	179.7	-178	53.8	0	0	0	111.2	F143 E144 S145 T150 I151 Y166	F143-L147 HydrophobicContact CE1-CD2 4.01Å; F143-L147 HydrophobicContact CZ-CD2 4.1Å; F143-L147 WeakPolarHBondContact O-CB 3.32Å; F143-L147 PolarHBondContact O-N 2.98Å; E144-L147 PolarHBondContact O-N 3.02Å; S145-L147 PolarHBondContact O-N 3.46Å; L147-T150 PolarHBondContact O-N 3.04Å; L147-I151 HydrophobicContact CD1-CD1 4.06Å; L147-I151 HydrophobicContact CD1-CG1 4.18Å; L147-I151 HydrophobicContact CG-CD1 3.97Å; L147-I151 VanDerWaalsContact O-CG1 3.26Å; L147-I151 WeakPolarHBondContact O-CG1 3.44Å; L147-I151 PolarHBondContact O-N 3.15Å; L147-Y166 HydrophobicContact CB-CD2 4.45Å; L147-Y166 HydrophobicContact CD2-CD2 3.75Å; L147-Y166 HydrophobicContact CD2-CE2 4.15Å; L147-Y166 HydrophobicContact CG-CD2 4.28Å
148	V	90.5	Very high	83.9	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-59.2	-48.7	175.4	171.1	0	0	0	0	110.6	E144 S145 T150 I151 R152 Y159 C162 Y166	E144-V148 HydrophobicContact CG-CG2 4.35Å; E144-V148 WeakPolarHBondContact O-CB 3.46Å; E144-V148 VanDerWaalsContact O-CG2 3.28Å; E144-V148 WeakPolarHBondContact O-CG2 3.33Å; E144-V148 PolarHBondContact O-N 3.21Å; S145-V148 PolarHBondContact O-N 3.18Å; V148-T150 VanDerWaalsContact C-N 3.32Å; V148-T150 PolarHBondContact O-N 3.37Å; V148-I151 PolarHBondContact O-N 3.49Å; V148-R152 WeakPolarHBondContact O-CB 3.32Å; V148-R152 PolarHBondContact O-N 2.99Å; V148-Y159 HydrophobicContact CG1-CD2 3.75Å; V148-Y159 HydrophobicContact CG1-CE2 3.69Å; V148-C162 HydrophobicContact CG1-CB 3.93Å; V148-Y166 HydrophobicContact CG2-CG 4.28Å
149	D	89.4	Confident	85.1	Confident	25 Å²	25	60.4 Å²	60.4	13%	0.134	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-38.4	176.8	-78.9	-23.7	0	0	0	112.1	S145 R152 L153 S202 P203	S145-D149 VanDerWaalsContact O-CB 3.31Å; S145-D149 WeakPolarHBondContact O-CB 3.32Å; S145-D149 PolarHBondContact O-N 3.11Å; D149-R152 PolarHBondContact O-N 3.43Å; D149-L153 WeakPolarHBondContact O-CB 3.35Å; D149-L153 WeakPolarHBondContact O-CG 3.35Å; D149-L153 PolarHBondContact O-N 3.21Å; D149-S202 PolarHBondContact OD1-OG 3Å; D149-S202 WeakPolarHBondContact OD2-CA 3.42Å; D149-S202 WeakPolarHBondContact OD2-CB 3.27Å; D149-S202 PolarHBondContact OD2-OG 3.35Å; D149-P203 HydrophobicContact CB-CG 4.18Å; D149-P203 VanDerWaalsContact CG-CD 3.42Å; D149-P203 WeakPolarHBondContact OD2-CD 3.38Å
150	T	89.5	Confident	85.9	Confident	83 Å²	83	61.7 Å²	61.7	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-47.6	177.6	-59.9	0	0	0	0	111.5	C146 L147 V148 R152 L153 G154	C146-T150 VanDerWaalsContact O-CB 3.32Å; C146-T150 WeakPolarHBondContact O-CB 3.48Å; C146-T150 PolarHBondContact O-N 3.32Å; C146-T150 PolarHBondContact O-OG1 3.48Å; L147-T150 PolarHBondContact O-N 3.04Å; V148-T150 VanDerWaalsContact C-N 3.32Å; V148-T150 PolarHBondContact O-N 3.37Å; T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 3.33Å; T150-L153 PolarHBondContact O-N 3.04Å; T150-G154 PolarHBondContact O-N 3.3Å; T150-G154 VanDerWaalsContact O-N 3.08Å
151	I	90.8	Very high	86.2	Confident	30 Å²	30	59.2 Å²	59.2	15%	0.154	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-44.2	176.5	-65.9	163.9	0	0	0	109.3	L147 V148 G154 T155 C162 V165	L147-I151 HydrophobicContact CD1-CD1 4.06Å; L147-I151 HydrophobicContact CD1-CG1 4.18Å; L147-I151 HydrophobicContact CG-CD1 3.97Å; L147-I151 VanDerWaalsContact O-CG1 3.26Å; L147-I151 WeakPolarHBondContact O-CG1 3.44Å; L147-I151 PolarHBondContact O-N 3.15Å; V148-I151 PolarHBondContact O-N 3.49Å; I151-G154 PolarHBondContact O-N 3.08Å; I151-T155 HydrophobicContact CG2-CG2 4.23Å; I151-T155 WeakPolarHBondContact O-CB 3.49Å; I151-T155 WeakPolarHBondContact O-CG2 3.45Å; I151-T155 PolarHBondContact O-N 3.4Å; I151-T155 PolarHBondContact O-OG1 3.22Å; I151-C162 HydrophobicContact CB-CB 4.45Å; I151-C162 HydrophobicContact CG2-CB 4.2Å; I151-V165 HydrophobicContact CD1-CG1 4.09Å
152	R	91	Very high	87	Confident	18 Å²	18	49.6 Å²	49.6	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-47.8	-179.2	-173.6	-175.9	174.4	83.2	3.5	112.4	V148 D149 T150 G154 T155 N156 Y159 C162 D204 K249	V148-R152 WeakPolarHBondContact O-CB 3.32Å; V148-R152 PolarHBondContact O-N 2.99Å; D149-R152 PolarHBondContact O-N 3.43Å; T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 3.33Å; R152-G154 VanDerWaalsContact C-N 3.29Å; R152-G154 PolarHBondContact O-N 2.99Å; R152-T155 PolarHBondContact O-N 2.92Å; R152-N156 WeakPolarHBondContact O-CA 3.28Å; R152-N156 PolarHBondContact O-N 2.88Å; R152-Y159 VanDerWaalsContact NH1-CA 3.29Å; R152-C162 VanDerWaalsContact CA-SG 3.57Å; R152-D204 IonicContact CZ-OD1 3.78Å; R152-D204 IonicContact CZ-OD2 3.51Å; R152-D204 IonicContact NE-OD1 2.69Å; R152-D204 PolarHBondContact NE-OD1 3.29Å; R152-D204 IonicContact NE-OD2 2.96Å; R152-D204 PolarHBondContact NE-OD2 3.32Å; R152-D204 IonicContact NH1-OD2 3.78Å; R152-D204 IonicContact NH2-OD1 3.06Å; R152-D204 PolarHBondContact NH2-OD1 3.38Å; R152-D204 IonicContact NH2-OD2 3.66Å; R152-D204 PolarHBondContact NH2-OD2 2.61Å; R152-K249 PolarHBondContact NH1-O 2.79Å; R152-K249 PolarHBondContact NH2-O 2.64Å
153	L	87.5	Confident	87.4	Confident	117 Å²	117	49.7 Å²	49.7	61%	0.613	29%	0.291	S	S	*	.	H	α-helix	trans	-61.4	-36.8	175.2	-78.4	178.2	0	0	0	112.8	D149 T150 P203	D149-L153 WeakPolarHBondContact O-CB 3.35Å; D149-L153 WeakPolarHBondContact O-CG 3.35Å; D149-L153 PolarHBondContact O-N 3.21Å; T150-L153 PolarHBondContact O-N 3.04Å; L153-P203 HydrophobicContact CD1-CB 3.95Å; L153-P203 HydrophobicContact CD1-CG 3.51Å; L153-P203 HydrophobicContact CD2-CB 3.77Å; L153-P203 HydrophobicContact CD2-CG 4.22Å; L153-P203 HydrophobicContact CG-CB 4Å; L153-P203 HydrophobicContact CG-CG 3.88Å
154	G	87.3	Confident	87.5	Confident	59 Å²	59	47.4 Å²	47.4	61%	0.608	28%	0.283	S	S	*	.	H	α-helix	trans	-77.3	-25.7	-179.7	0	0	0	0	0	114.8	T150 I151 R152	T150-G154 PolarHBondContact O-N 3.3Å; T150-G154 VanDerWaalsContact O-N 3.08Å; I151-G154 PolarHBondContact O-N 3.08Å; R152-G154 VanDerWaalsContact C-N 3.29Å; R152-G154 PolarHBondContact O-N 2.99Å
155	T	87.4	Confident	87.6	Confident	74 Å²	74	48 Å²	48	45%	0.454	29%	0.289	S	S	.	.	H	α-helix	trans	-117.8	-19.2	-169.4	60.9	0	0	0	0	114.6	I151 R152 C157	I151-T155 HydrophobicContact CG2-CG2 4.23Å; I151-T155 WeakPolarHBondContact O-CB 3.49Å; I151-T155 WeakPolarHBondContact O-CG2 3.45Å; I151-T155 PolarHBondContact O-N 3.4Å; I151-T155 PolarHBondContact O-OG1 3.22Å; R152-T155 PolarHBondContact O-N 2.92Å; T155-C157 PolarHBondContact O-N 2.95Å; T155-C157 WeakPolarHBondContact OG1-CB 3.39Å; T155-C157 PolarHBondContact OG1-N 2.75Å
156	N	83.1	Confident	87.6	Confident	106 Å²	106	46 Å²	46	57%	0.567	28%	0.275	S	S	*	.			trans	54.6	26.7	-169.8	-165.7	25	0	0	0	113.3	R152 K249	R152-N156 WeakPolarHBondContact O-CA 3.28Å; R152-N156 PolarHBondContact O-N 2.88Å; N156-K249 WeakPolarHBondContact O-CD 3.48Å; N156-K249 PolarHBondContact O-NZ 3.21Å
157	C	86.4	Confident	87.5	Confident	51 Å²	51	46.4 Å²	46.4	35%	0.345	27%	0.269	S	S	.	.			trans	-75.8	165.5	172.5	-73.2	0	0	0	0	111.6	T155 D161	T155-C157 PolarHBondContact O-N 2.95Å; T155-C157 WeakPolarHBondContact OG1-CB 3.39Å; T155-C157 PolarHBondContact OG1-N 2.75Å; C157-D161 HydrophobicContact CB-CB 4.17Å
158	S	88.1	Confident	87.2	Confident	20 Å²	20	45.1 Å²	45.1	14%	0.14	27%	0.265	C	S	.	.			trans	-67.7	158.4	174.9	77	0	0	0	0	111.3	A160 D161 C162	S158-A160 PolarHBondContact O-N 3.08Å; S158-D161 PolarHBondContact O-N 2.8Å; S158-D161 WeakPolarHBondContact OG-CB 3.14Å; S158-D161 PolarHBondContact OG-N 3.07Å; S158-D161 PolarHBondContact OG-OD2 3.45Å; S158-C162 PolarHBondContact O-N 3.47Å; S158-C162 PolarHBondContact O-SG 3.03Å
159	Y	89.5	Confident	86.9	Confident	40 Å²	40	48.2 Å²	48.2	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-40.1	179.5	171.2	-94.4	0	0	0	109.7	V148 R152 D161 C162 R163 K249 D251	V148-Y159 HydrophobicContact CG1-CD2 3.75Å; V148-Y159 HydrophobicContact CG1-CE2 3.69Å; R152-Y159 VanDerWaalsContact NH1-CA 3.29Å; Y159-D161 PolarHBondContact O-N 3.3Å; Y159-C162 PolarHBondContact O-N 3.37Å; Y159-R163 VanDerWaalsContact O-CB 3.32Å; Y159-R163 WeakPolarHBondContact O-CB 3.22Å; Y159-R163 PolarHBondContact O-N 2.95Å; Y159-K249 WeakPolarHBondContact CB-O 3.46Å; Y159-K249 PolarHBondContact N-O 3.02Å; Y159-D251 HydrophobicContact CD1-CB 3.78Å; Y159-D251 HydrophobicContact CD2-CB 3.77Å; Y159-D251 HydrophobicContact CE1-CB 3.93Å; Y159-D251 HydrophobicContact CE2-CB 3.9Å; Y159-D251 HydrophobicContact CG-CB 3.7Å
160	A	85.8	Confident	86.6	Confident	60 Å²	60	47.2 Å²	47.2	50%	0.496	28%	0.275	S	S	.	.	H	α-helix	trans	-60.3	-43.6	174.9	0	0	0	0	0	112.2	S158 R163 S164	S158-A160 PolarHBondContact O-N 3.08Å; A160-R163 PolarHBondContact O-N 3.4Å; A160-S164 WeakPolarHBondContact O-CB 3.38Å; A160-S164 PolarHBondContact O-N 3.27Å; A160-S164 PolarHBondContact O-OG 3.15Å
161	D	84.7	Confident	86.1	Confident	25 Å²	25	46 Å²	46	13%	0.134	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-46	175.9	-67	-41.9	0	0	0	111.3	C157 S158 Y159 R163 S164 V165 S486	C157-D161 HydrophobicContact CB-CB 4.17Å; S158-D161 PolarHBondContact O-N 2.8Å; S158-D161 WeakPolarHBondContact OG-CB 3.14Å; S158-D161 PolarHBondContact OG-N 3.07Å; S158-D161 PolarHBondContact OG-OD2 3.45Å; Y159-D161 PolarHBondContact O-N 3.3Å; D161-R163 VanDerWaalsContact C-N 3.29Å; D161-R163 PolarHBondContact O-N 2.84Å; D161-S164 WeakPolarHBondContact O-CB 3.36Å; D161-S164 PolarHBondContact O-N 3.11Å; D161-S164 VanDerWaalsContact O-N 3.14Å; D161-V165 WeakPolarHBondContact O-CG2 3.3Å; D161-V165 PolarHBondContact O-N 3.37Å; D161-S486 VanDerWaalsContact OD1-CB 3.27Å; D161-S486 WeakPolarHBondContact OD1-CB 3.39Å; D161-S486 PolarHBondContact OD1-OG 2.72Å
162	C	89.5	Confident	85.6	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-38.3	178.2	-64.8	0	0	0	0	112	V148 I151 R152 S158 Y159 V165 Y166	V148-C162 HydrophobicContact CG1-CB 3.93Å; I151-C162 HydrophobicContact CB-CB 4.45Å; I151-C162 HydrophobicContact CG2-CB 4.2Å; R152-C162 VanDerWaalsContact CA-SG 3.57Å; S158-C162 PolarHBondContact O-N 3.47Å; S158-C162 PolarHBondContact O-SG 3.03Å; Y159-C162 PolarHBondContact O-N 3.37Å; C162-V165 PolarHBondContact O-N 2.9Å; C162-Y166 PolarHBondContact O-N 3.49Å
163	R	87.9	Confident	85.2	Confident	81 Å²	81	50.6 Å²	50.6	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-68.5	-37.5	174.4	-167.9	175.8	-179	-163.1	-5.5	112.1	E144 Y159 A160 D161 Y166 Y167	E144-R163 IonicContact OE1-NE 3.81Å; Y159-R163 VanDerWaalsContact O-CB 3.32Å; Y159-R163 WeakPolarHBondContact O-CB 3.22Å; Y159-R163 PolarHBondContact O-N 2.95Å; A160-R163 PolarHBondContact O-N 3.4Å; D161-R163 VanDerWaalsContact C-N 3.29Å; D161-R163 PolarHBondContact O-N 2.84Å; R163-Y166 WeakPolarHBondContact O-CB 3.45Å; R163-Y166 PolarHBondContact O-N 2.97Å; R163-Y167 HydrophobicContact CG-CD2 4.1Å; R163-Y167 HydrophobicContact CG-CE2 3.66Å; R163-Y167 PolarHBondContact NE-OH 2.93Å; R163-Y167 PolarHBondContact NH2-OH 3.47Å; R163-Y167 WeakPolarHBondContact O-CD2 3.43Å; R163-Y167 PolarHBondContact O-N 2.94Å
164	S	84.1	Confident	84.9	Confident	22 Å²	22	46 Å²	46	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-42	173.2	-58.8	0	0	0	0	111.6	A160 D161 Y167 A168	A160-S164 WeakPolarHBondContact O-CB 3.38Å; A160-S164 PolarHBondContact O-N 3.27Å; A160-S164 PolarHBondContact O-OG 3.15Å; D161-S164 WeakPolarHBondContact O-CB 3.36Å; D161-S164 PolarHBondContact O-N 3.11Å; D161-S164 VanDerWaalsContact O-N 3.14Å; S164-Y167 PolarHBondContact O-N 2.88Å; S164-A168 WeakPolarHBondContact O-CB 3.45Å; S164-A168 PolarHBondContact O-N 3.46Å
165	V	86.9	Confident	84.5	Confident	46 Å²	46	46.5 Å²	46.5	28%	0.279	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-42.9	172.9	172.1	0	0	0	0	110.9	I151 D161 C162 Y167 A168 I169 L490	I151-V165 HydrophobicContact CD1-CG1 4.09Å; D161-V165 WeakPolarHBondContact O-CG2 3.3Å; D161-V165 PolarHBondContact O-N 3.37Å; C162-V165 PolarHBondContact O-N 2.9Å; V165-Y167 PolarHBondContact O-N 3.29Å; V165-A168 PolarHBondContact O-N 3.28Å; V165-I169 HydrophobicContact CG1-CD1 3.71Å; V165-I169 HydrophobicContact CG1-CG1 4.31Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.24Å; V165-I169 PolarHBondContact O-N 3.44Å; V165-L490 HydrophobicContact CG2-CD1 3.78Å
166	Y	86.2	Confident	84.3	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-55.4	-52.2	174.6	167.8	-101.3	0	0	0	111.6	F143 E144 L147 V148 C162 R163 A168 I169 V170	F143-Y166 HydrophobicContact CD1-CE2 4.31Å; F143-Y166 HydrophobicContact CE1-CE2 4.29Å; E144-Y166 HydrophobicContact CB-CE1 4.05Å; E144-Y166 HydrophobicContact CB-CE2 4.14Å; E144-Y166 HydrophobicContact CG-CD1 3.89Å; E144-Y166 HydrophobicContact CG-CE1 3.51Å; E144-Y166 HydrophobicContact CG-CE2 4.23Å; E144-Y166 HydrophobicContact CG-CG 4.38Å; L147-Y166 HydrophobicContact CB-CD2 4.45Å; L147-Y166 HydrophobicContact CD2-CD2 3.75Å; L147-Y166 HydrophobicContact CD2-CE2 4.15Å; L147-Y166 HydrophobicContact CG-CD2 4.28Å; V148-Y166 HydrophobicContact CG2-CG 4.28Å; C162-Y166 PolarHBondContact O-N 3.49Å; R163-Y166 WeakPolarHBondContact O-CB 3.45Å; R163-Y166 PolarHBondContact O-N 2.97Å; Y166-A168 VanDerWaalsContact C-N 3.34Å; Y166-A168 PolarHBondContact O-N 3.46Å; Y166-I169 PolarHBondContact O-N 3.45Å; Y166-V170 HydrophobicContact CD1-CG2 4.47Å; Y166-V170 HydrophobicContact CD2-CG2 4.07Å; Y166-V170 HydrophobicContact CE1-CG2 4.08Å; Y166-V170 HydrophobicContact CE2-CG2 3.62Å; Y166-V170 HydrophobicContact CG-CG2 4.48Å; Y166-V170 WeakPolarHBondContact O-CG2 3.32Å; Y166-V170 PolarHBondContact O-N 2.96Å
167	Y	83.5	Confident	84	Confident	69 Å²	69	46.3 Å²	46.3	27%	0.271	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-39.5	178.6	-73.1	-57.1	0	0	0	112.5	E144 R163 S164 V165 I169 V170 D171	E144-Y167 PolarHBondContact OE1-OH 3.29Å; R163-Y167 HydrophobicContact CG-CD2 4.1Å; R163-Y167 HydrophobicContact CG-CE2 3.66Å; R163-Y167 PolarHBondContact NE-OH 2.93Å; R163-Y167 PolarHBondContact NH2-OH 3.47Å; R163-Y167 WeakPolarHBondContact O-CD2 3.43Å; R163-Y167 PolarHBondContact O-N 2.94Å; S164-Y167 PolarHBondContact O-N 2.88Å; V165-Y167 PolarHBondContact O-N 3.29Å; Y167-I169 VanDerWaalsContact C-N 3.35Å; Y167-I169 PolarHBondContact O-N 2.86Å; Y167-V170 PolarHBondContact O-N 3.47Å; Y167-D171 VanDerWaalsContact O-CB 3.25Å; Y167-D171 WeakPolarHBondContact O-CB 3.42Å; Y167-D171 PolarHBondContact O-N 3.47Å
168	A	82.5	Confident	83.7	Confident	19 Å²	19	51.6 Å²	51.6	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-40.5	175.7	0	0	0	0	0	112.3	S164 V165 Y166 L172 L490	S164-A168 WeakPolarHBondContact O-CB 3.45Å; S164-A168 PolarHBondContact O-N 3.46Å; V165-A168 PolarHBondContact O-N 3.28Å; Y166-A168 VanDerWaalsContact C-N 3.34Å; Y166-A168 PolarHBondContact O-N 3.46Å; A168-L172 WeakPolarHBondContact O-CB 3.47Å; A168-L172 PolarHBondContact O-N 3.5Å; A168-L490 HydrophobicContact CB-CB 4.14Å
169	I	84	Confident	83.3	Confident	66 Å²	66	53.4 Å²	53.4	34%	0.338	29%	0.288	S	S	.	.	H	α-helix	trans	-66.5	-46.4	175.4	-68.7	168.2	0	0	0	110.5	V165 Y166 Y167 D171 L172 L173	V165-I169 HydrophobicContact CG1-CD1 3.71Å; V165-I169 HydrophobicContact CG1-CG1 4.31Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.24Å; V165-I169 PolarHBondContact O-N 3.44Å; Y166-I169 PolarHBondContact O-N 3.45Å; Y167-I169 VanDerWaalsContact C-N 3.35Å; Y167-I169 PolarHBondContact O-N 2.86Å; I169-D171 VanDerWaalsContact C-N 3.32Å; I169-D171 PolarHBondContact O-N 3.15Å; I169-L172 PolarHBondContact O-N 2.98Å; I169-L173 HydrophobicContact CG2-CD1 3.82Å; I169-L173 HydrophobicContact CG2-CG 4.24Å; I169-L173 WeakPolarHBondContact O-CB 3.33Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.42Å; I169-L173 PolarHBondContact O-N 2.91Å
170	V	82.2	Confident	82.7	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-62	-41.2	179	170.4	0	0	0	0	111.2	Y166 Y167 L173 S174 F183	Y166-V170 HydrophobicContact CD1-CG2 4.47Å; Y166-V170 HydrophobicContact CD2-CG2 4.07Å; Y166-V170 HydrophobicContact CE1-CG2 4.08Å; Y166-V170 HydrophobicContact CE2-CG2 3.62Å; Y166-V170 HydrophobicContact CG-CG2 4.48Å; Y166-V170 WeakPolarHBondContact O-CG2 3.32Å; Y166-V170 PolarHBondContact O-N 2.96Å; Y167-V170 PolarHBondContact O-N 3.47Å; V170-L173 PolarHBondContact O-N 2.8Å; V170-S174 VanDerWaalsContact O-CB 3.28Å; V170-S174 WeakPolarHBondContact O-CB 3.41Å; V170-S174 PolarHBondContact O-N 2.6Å; V170-S174 PolarHBondContact O-OG 3.2Å; V170-F183 HydrophobicContact CG1-CB 3.87Å; V170-F183 HydrophobicContact CG1-CD1 3.84Å; V170-F183 HydrophobicContact CG1-CG 3.92Å; V170-F183 HydrophobicContact CG2-CD1 4.21Å; V170-F183 HydrophobicContact CG2-CE1 4.27Å
171	D	79.2	Confident	82.1	Confident	59 Å²	59	60.7 Å²	60.7	32%	0.316	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-44.2	175.8	179.1	62.2	0	0	0	111.6	Y167 I169 S174 T175 R498	Y167-D171 VanDerWaalsContact O-CB 3.25Å; Y167-D171 WeakPolarHBondContact O-CB 3.42Å; Y167-D171 PolarHBondContact O-N 3.47Å; I169-D171 VanDerWaalsContact C-N 3.32Å; I169-D171 PolarHBondContact O-N 3.15Å; D171-S174 WeakPolarHBondContact O-CB 3.35Å; D171-S174 PolarHBondContact O-N 3.24Å; D171-T175 PolarHBondContact O-N 2.77Å; D171-R498 IonicContact OD1-NH2 3.39Å; D171-R498 PolarHBondContact OD1-NH2 3.13Å; D171-R498 IonicContact OD2-CZ 3.49Å; D171-R498 IonicContact OD2-NH2 2.71Å; D171-R498 PolarHBondContact OD2-NH2 3.11Å
172	L	80.4	Confident	81.5	Confident	84 Å²	84	62.2 Å²	62.2	44%	0.44	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-46.5	174.5	-175.1	65.7	0	0	0	111.8	A168 I169 S174 T175	A168-L172 WeakPolarHBondContact O-CB 3.47Å; A168-L172 PolarHBondContact O-N 3.5Å; I169-L172 PolarHBondContact O-N 2.98Å; L172-S174 VanDerWaalsContact C-N 3.26Å; L172-S174 PolarHBondContact O-N 3.5Å; L172-T175 WeakPolarHBondContact O-CB 3.3Å; L172-T175 WeakPolarHBondContact O-CG2 3.29Å; L172-T175 PolarHBondContact O-N 3.28Å; L172-T175 VanDerWaalsContact O-N 3.15Å; L172-T175 PolarHBondContact O-OG1 3.3Å
173	L	83.1	Confident	80.7	Confident	60 Å²	60	62.8 Å²	62.8	31%	0.314	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-30.8	177.8	-69.6	175.7	0	0	0	112.3	I169 V170 T175 I176 L179 F183	I169-L173 HydrophobicContact CG2-CD1 3.82Å; I169-L173 HydrophobicContact CG2-CG 4.24Å; I169-L173 WeakPolarHBondContact O-CB 3.33Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.42Å; I169-L173 PolarHBondContact O-N 2.91Å; V170-L173 PolarHBondContact O-N 2.8Å; L173-T175 PolarHBondContact O-N 3.28Å; L173-I176 WeakPolarHBondContact O-CB 3.49Å; L173-I176 PolarHBondContact O-N 3.46Å; L173-L179 HydrophobicContact CB-CD1 4.31Å; L173-L179 HydrophobicContact CD2-CD1 4.08Å; L173-F183 HydrophobicContact CB-CD2 4.44Å; L173-F183 HydrophobicContact CB-CE2 3.95Å; L173-F183 HydrophobicContact CD1-CE2 4.16Å; L173-F183 HydrophobicContact CD1-CZ 4.05Å
174	S	80.9	Confident	79.5	Confident	19 Å²	19	64.7 Å²	64.7	13%	0.133	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.6	176.3	-64.7	0	0	0	0	113.7	V170 D171 L172 I176	V170-S174 VanDerWaalsContact O-CB 3.28Å; V170-S174 WeakPolarHBondContact O-CB 3.41Å; V170-S174 PolarHBondContact O-N 2.6Å; V170-S174 PolarHBondContact O-OG 3.2Å; D171-S174 WeakPolarHBondContact O-CB 3.35Å; D171-S174 PolarHBondContact O-N 3.24Å; L172-S174 VanDerWaalsContact C-N 3.26Å; L172-S174 PolarHBondContact O-N 3.5Å; S174-I176 PolarHBondContact O-N 3.3Å
175	T	78.7	Confident	78.3	Confident	70 Å²	70	66.3 Å²	66.3	43%	0.429	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.8	168.8	68.1	0	0	0	0	112.2	D171 L172 L173 P177 R498	D171-T175 PolarHBondContact O-N 2.77Å; L172-T175 WeakPolarHBondContact O-CB 3.3Å; L172-T175 WeakPolarHBondContact O-CG2 3.29Å; L172-T175 PolarHBondContact O-N 3.28Å; L172-T175 VanDerWaalsContact O-N 3.15Å; L172-T175 PolarHBondContact O-OG1 3.3Å; L173-T175 PolarHBondContact O-N 3.28Å; T175-P177 WeakPolarHBondContact O-CD 3.43Å; T175-R498 HydrophobicContact CG2-CG 4.29Å
176	I	82.8	Confident	76.9	Confident	75 Å²	75	66.5 Å²	66.5	39%	0.385	35%	0.351	S	S	.	.	S	Bend	trans	-82	113.2	175.9	-57.3	172.1	0	0	0	107.9	L173 S174 E178 L179 K180	L173-I176 WeakPolarHBondContact O-CB 3.49Å; L173-I176 PolarHBondContact O-N 3.46Å; S174-I176 PolarHBondContact O-N 3.3Å; I176-E178 HydrophobicContact CG2-CB 4.42Å; I176-E178 PolarHBondContact O-N 3.11Å; I176-E178 VanDerWaalsContact O-N 3.08Å; I176-L179 HydrophobicContact CB-CB 4.37Å; I176-L179 HydrophobicContact CB-CD1 4.27Å; I176-L179 HydrophobicContact CB-CG 4.39Å; I176-L179 HydrophobicContact CD1-CD1 4.04Å; I176-L179 HydrophobicContact CG2-CD1 4.42Å; I176-L179 HydrophobicContact CG2-CG 4.28Å; I176-L179 PolarHBondContact O-N 3.18Å; I176-K180 PolarHBondContact O-N 3.5Å
177	P	78.1	Confident	75.3	Confident	101 Å²	101	71.9 Å²	71.9	66%	0.656	38%	0.38	S	S	*	.	H	α-helix	trans	-56.7	-32.4	-171.3	-27.2	35.2	0	0	0	114.5	T175	T175-P177 WeakPolarHBondContact O-CD 3.43Å
178	E	79.9	Confident	73.6	Confident	163 Å²	163	72.5 Å²	72.5	76%	0.762	39%	0.394	S	S	*	.	H	α-helix	trans	-68.3	-35.9	179.3	-61.9	174.9	174.4	0	0	112.5	I176	I176-E178 HydrophobicContact CG2-CB 4.42Å; I176-E178 PolarHBondContact O-N 3.11Å; I176-E178 VanDerWaalsContact O-N 3.08Å
179	L	79.2	Confident	71.9	Confident	57 Å²	57	76 Å²	76	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-86.8	-25.2	-179.8	-66.3	-179.6	0	0	0	112.4	L173 I176 Q181 N182 F183	L173-L179 HydrophobicContact CB-CD1 4.31Å; L173-L179 HydrophobicContact CD2-CD1 4.08Å; I176-L179 HydrophobicContact CB-CB 4.37Å; I176-L179 HydrophobicContact CB-CD1 4.27Å; I176-L179 HydrophobicContact CB-CG 4.39Å; I176-L179 HydrophobicContact CD1-CD1 4.04Å; I176-L179 HydrophobicContact CG2-CD1 4.42Å; I176-L179 HydrophobicContact CG2-CG 4.28Å; I176-L179 PolarHBondContact O-N 3.18Å; L179-Q181 PolarHBondContact O-N 3.17Å; L179-Q181 VanDerWaalsContact O-N 3.16Å; L179-N182 WeakPolarHBondContact O-CB 3.45Å; L179-N182 PolarHBondContact O-N 3.49Å; L179-F183 HydrophobicContact CB-CD2 4.26Å; L179-F183 HydrophobicContact CB-CE2 4.07Å; L179-F183 VanDerWaalsContact O-CD2 3.26Å; L179-F183 WeakPolarHBondContact O-CD2 3.4Å; L179-F183 PolarHBondContact O-N 3Å
180	K	77.3	Confident	70	Confident	106 Å²	106	76.8 Å²	76.8	46%	0.461	43%	0.425	S	S	.	.	H	α-helix	trans	-52.1	-39.7	179.5	-168.6	175.5	-176	172.2	0	112.7	I176 N182 F183 Q184	I176-K180 PolarHBondContact O-N 3.5Å; K180-N182 VanDerWaalsContact C-N 3.25Å; K180-N182 PolarHBondContact O-N 3.3Å; K180-F183 PolarHBondContact O-N 2.66Å; K180-Q184 HydrophobicContact CG-CG 4.37Å; K180-Q184 VanDerWaalsContact O-CG 3.24Å; K180-Q184 WeakPolarHBondContact O-CG 3.35Å; K180-Q184 PolarHBondContact O-N 3.01Å
181	Q	73.4	Confident	68.4	Low	148 Å²	148	82.8 Å²	82.8	69%	0.692	46%	0.457	S	S	*	.	H	α-helix	trans	-64.2	-30.2	178.4	-64.9	-177.1	19.1	0	0	112.7	L179	L179-Q181 PolarHBondContact O-N 3.17Å; L179-Q181 VanDerWaalsContact O-N 3.16Å
182	N	72	Confident	67.2	Low	56 Å²	56	84.6 Å²	84.6	30%	0.299	47%	0.471	S	S	.	.	H	α-helix	trans	-77.7	-27.7	-179.2	-62.7	-25.1	0	0	0	112.2	L139 L179 K180	L139-N182 HydrophobicContact CD1-CB 3.7Å; L139-N182 WeakPolarHBondContact CD1-O 3.48Å; L179-N182 WeakPolarHBondContact O-CB 3.45Å; L179-N182 PolarHBondContact O-N 3.49Å; K180-N182 VanDerWaalsContact C-N 3.25Å; K180-N182 PolarHBondContact O-N 3.3Å
183	F	72.9	Confident	66.2	Low	13 Å²	13	87.1 Å²	87.1	6%	0.057	49%	0.489	C	S	.	.	H	α-helix	trans	-101.6	-10.4	-177.2	-63.7	-66.6	0	0	0	114.5	L139 F143 V170 L173 L179 K180 G185 Y186	L139-F183 HydrophobicContact CD1-CD1 4.13Å; L139-F183 HydrophobicContact CD1-CE1 3.89Å; L139-F183 HydrophobicContact CD1-CZ 4.38Å; L139-F183 HydrophobicContact CD2-CE1 3.88Å; L139-F183 HydrophobicContact CD2-CZ 4.36Å; F143-F183 HydrophobicContact CE1-CE1 4.45Å; V170-F183 HydrophobicContact CG1-CB 3.87Å; V170-F183 HydrophobicContact CG1-CD1 3.84Å; V170-F183 HydrophobicContact CG1-CG 3.92Å; V170-F183 HydrophobicContact CG2-CD1 4.21Å; V170-F183 HydrophobicContact CG2-CE1 4.27Å; L173-F183 HydrophobicContact CB-CD2 4.44Å; L173-F183 HydrophobicContact CB-CE2 3.95Å; L173-F183 HydrophobicContact CD1-CE2 4.16Å; L173-F183 HydrophobicContact CD1-CZ 4.05Å; L179-F183 HydrophobicContact CB-CD2 4.26Å; L179-F183 HydrophobicContact CB-CE2 4.07Å; L179-F183 VanDerWaalsContact O-CD2 3.26Å; L179-F183 WeakPolarHBondContact O-CD2 3.4Å; L179-F183 PolarHBondContact O-N 3Å; K180-F183 PolarHBondContact O-N 2.66Å; F183-G185 PolarHBondContact O-N 3.21Å; F183-Y186 PolarHBondContact O-N 3.45Å
184	Q	62.1	Low	65.4	Low	121 Å²	121	87.6 Å²	87.6	57%	0.565	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.6	-179.7	-94	171.2	0.5	0	0	114.8	K180	K180-Q184 HydrophobicContact CG-CG 4.37Å; K180-Q184 VanDerWaalsContact O-CG 3.24Å; K180-Q184 WeakPolarHBondContact O-CG 3.35Å; K180-Q184 PolarHBondContact O-N 3.01Å
185	G	60	Low	65.2	Low	57 Å²	57	90 Å²	90	59%	0.588	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-17.6	174.8	0	0	0	0	0	115.7	F183	F183-G185 PolarHBondContact O-N 3.21Å
186	Y	57.7	Low	65.5	Low	49 Å²	49	91.8 Å²	91.8	19%	0.192	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-7.8	-170	-75.5	-85.2	0	0	0	114.4	L139 P140 F183 S188	L139-Y186 HydrophobicContact CB-CE2 4.3Å; P140-Y186 PolarHBondContact O-OH 3.25Å; F183-Y186 PolarHBondContact O-N 3.45Å; Y186-S188 PolarHBondContact O-N 3.37Å
187	N	51.3	Low	65.5	Low	115 Å²	115	93.3 Å²	93.3	62%	0.615	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.3	172.6	-72.1	-4.8	0	0	0	113.2
188	S	47.2	Very low	65.8	Low	81 Å²	81	91.9 Å²	91.9	57%	0.566	50%	0.503	S	S	*	.	S	Bend	trans	-95.6	115.9	167.8	-21.4	0	0	0	0	106	Y186 S190	Y186-S188 PolarHBondContact O-N 3.37Å; S188-S190 PolarHBondContact O-N 3.29Å
189	T	47.9	Very low	66.3	Low	93 Å²	93	85 Å²	85	57%	0.571	47%	0.47	S	S	*	.			trans	-45.6	102.6	168.3	42.3	0	0	0	0	108.6	D191	T189-D191 PolarHBondContact O-N 3.01Å
190	S	44.1	Very low	66.7	Low	82 Å²	82	83.7 Å²	83.7	57%	0.573	47%	0.465	S	S	*	.			trans	-72.5	88.8	172.5	-167.3	0	0	0	0	105.4	S188 T192	S188-S190 PolarHBondContact O-N 3.29Å; S190-T192 PolarHBondContact O-N 2.93Å; S190-T192 PolarHBondContact O-OG1 3.27Å; S190-T192 VanDerWaalsContact OG-CG2 3.24Å; S190-T192 WeakPolarHBondContact OG-CG2 3.2Å; S190-T192 PolarHBondContact OG-OG1 3.47Å
191	D	48.4	Very low	67.2	Low	130 Å²	130	86.6 Å²	86.6	70%	0.695	47%	0.474	S	S	*	.			trans	-65.4	37.6	162.5	-85.5	-29.5	0	0	0	110.5	T189 V193	T189-D191 PolarHBondContact O-N 3.01Å; D191-V193 PolarHBondContact O-N 3.19Å
192	T	53.1	Low	67.9	Low	97 Å²	97	80 Å²	80	60%	0.595	44%	0.443	S	S	*	.			trans	-66.5	106.3	161.2	39.2	0	0	0	0	106	S190 E194	S190-T192 PolarHBondContact O-N 2.93Å; S190-T192 PolarHBondContact O-OG1 3.27Å; S190-T192 VanDerWaalsContact OG-CG2 3.24Å; S190-T192 WeakPolarHBondContact OG-CG2 3.2Å; S190-T192 PolarHBondContact OG-OG1 3.47Å; T192-E194 PolarHBondContact O-N 3Å
193	V	59.5	Low	68.9	Low	136 Å²	136	78.8 Å²	78.8	82%	0.824	44%	0.439	S	S	*	.			trans	-53	103.2	173.5	179.9	0	0	0	0	107.7	D191 T195	D191-V193 PolarHBondContact O-N 3.19Å; V193-T195 PolarHBondContact O-N 3.4Å
194	E	67.9	Low	69.8	Low	70 Å²	70	78.4 Å²	78.4	33%	0.327	44%	0.437	S	S	.	.			trans	-60.3	133.2	176.4	-67.5	-170.6	171.4	0	0	109	T192 D198 Y199	T192-E194 PolarHBondContact O-N 3Å; E194-D198 HydrophobicContact CB-CB 4.36Å; E194-Y199 HydrophobicContact CB-CD2 4.17Å; E194-Y199 HydrophobicContact CB-CE1 4.21Å; E194-Y199 HydrophobicContact CB-CE2 3.57Å; E194-Y199 WeakPolarHBondContact OE2-CD1 3.48Å; E194-Y199 WeakPolarHBondContact OE2-CE1 3.29Å; E194-Y199 VanDerWaalsContact OE2-CZ 3.25Å
195	T	76.3	Confident	71.4	Confident	71 Å²	71	73.9 Å²	73.9	44%	0.436	42%	0.415	S	S	.	.			trans	-82.5	160.9	-179.6	67.3	0	0	0	0	110.3	V193 L197 D198 Y199	V193-T195 PolarHBondContact O-N 3.4Å; T195-L197 PolarHBondContact O-N 2.77Å; T195-L197 VanDerWaalsContact O-N 3.12Å; T195-D198 WeakPolarHBondContact CB-OD2 3.4Å; T195-D198 PolarHBondContact N-OD2 3.27Å; T195-D198 WeakPolarHBondContact O-CB 2.99Å; T195-D198 PolarHBondContact O-N 2.9Å; T195-D198 VanDerWaalsContact OG1-CG 3.29Å; T195-D198 PolarHBondContact OG1-N 3.18Å; T195-D198 PolarHBondContact OG1-OD2 3.39Å; T195-Y199 PolarHBondContact O-N 3.45Å; T195-Y199 VanDerWaalsContact O-N 3.13Å
196	E	83.8	Confident	73	Confident	106 Å²	106	76.2 Å²	76.2	50%	0.495	41%	0.407	S	S	.	.	H	α-helix	trans	-51.4	-35.6	171.3	-175.4	-176.4	160.3	0	0	111.8	D198 Y199 S200 W205 S261	E196-D198 VanDerWaalsContact C-N 3.31Å; E196-D198 PolarHBondContact O-N 2.73Å; E196-Y199 PolarHBondContact O-N 2.69Å; E196-S200 VanDerWaalsContact O-CB 3.23Å; E196-S200 WeakPolarHBondContact O-CB 3.5Å; E196-S200 PolarHBondContact O-N 2.81Å; E196-S200 PolarHBondContact O-OG 3.24Å; E196-W205 HydrophobicContact CG-CH2 3.81Å; E196-W205 HydrophobicContact CG-CZ2 4.36Å; E196-S261 VanDerWaalsContact OE1-CB 3.24Å; E196-S261 WeakPolarHBondContact OE1-CB 3.4Å
197	L	84.4	Confident	74.8	Confident	107 Å²	107	76.8 Å²	76.8	56%	0.56	41%	0.413	S	S	*	.	H	α-helix	trans	-63.9	-36.6	177.5	-168.4	74.2	0	0	0	112.1	T195 S200	T195-L197 PolarHBondContact O-N 2.77Å; T195-L197 VanDerWaalsContact O-N 3.12Å; L197-S200 PolarHBondContact O-OG 3.25Å
198	D	84.1	Confident	76.9	Confident	72 Å²	72	71.3 Å²	71.3	39%	0.385	38%	0.383	S	S	.	.	H	α-helix	trans	-70.8	-49.9	178.9	-57.9	-50.1	0	0	0	110.2	E194 T195 E196 S200 R201	E194-D198 HydrophobicContact CB-CB 4.36Å; T195-D198 WeakPolarHBondContact CB-OD2 3.4Å; T195-D198 PolarHBondContact N-OD2 3.27Å; T195-D198 WeakPolarHBondContact O-CB 2.99Å; T195-D198 PolarHBondContact O-N 2.9Å; T195-D198 VanDerWaalsContact OG1-CG 3.29Å; T195-D198 PolarHBondContact OG1-N 3.18Å; T195-D198 PolarHBondContact OG1-OD2 3.39Å; E196-D198 VanDerWaalsContact C-N 3.31Å; E196-D198 PolarHBondContact O-N 2.73Å; D198-S200 VanDerWaalsContact C-N 3.3Å; D198-S200 PolarHBondContact O-N 3.41Å; D198-R201 PolarHBondContact O-N 2.86Å
199	Y	89.1	Confident	79.2	Confident	18 Å²	18	73.6 Å²	73.6	7%	0.071	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-36.7	176.5	-73.7	-57.3	0	0	0	113.1	E194 T195 E196 R201 S202 W205 K253 L254 C257	E194-Y199 HydrophobicContact CB-CD2 4.17Å; E194-Y199 HydrophobicContact CB-CE1 4.21Å; E194-Y199 HydrophobicContact CB-CE2 3.57Å; E194-Y199 WeakPolarHBondContact OE2-CD1 3.48Å; E194-Y199 WeakPolarHBondContact OE2-CE1 3.29Å; E194-Y199 VanDerWaalsContact OE2-CZ 3.25Å; T195-Y199 PolarHBondContact O-N 3.45Å; T195-Y199 VanDerWaalsContact O-N 3.13Å; E196-Y199 PolarHBondContact O-N 2.69Å; Y199-R201 PolarHBondContact O-N 3.32Å; Y199-S202 WeakPolarHBondContact O-CB 3.24Å; Y199-S202 PolarHBondContact O-N 2.94Å; Y199-W205 WeakPolarHBondContact O-CB 3.38Å; Y199-K253 WeakPolarHBondContact OH-CB 3.35Å; Y199-L254 HydrophobicContact CD1-CB 3.5Å; Y199-L254 HydrophobicContact CD1-CD1 3.89Å; Y199-L254 HydrophobicContact CD1-CG 3.72Å; Y199-L254 HydrophobicContact CE1-CB 3.74Å; Y199-L254 HydrophobicContact CE1-CG 4.46Å; Y199-L254 HydrophobicContact CG-CB 4.21Å; Y199-L254 HydrophobicContact CG-CG 4.2Å; Y199-C257 HydrophobicContact CD2-CB 3.89Å; Y199-C257 HydrophobicContact CE2-CB 4.25Å
200	S	87.9	Confident	81.4	Confident	29 Å²	29	74.8 Å²	74.8	20%	0.203	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.3	-178.7	74.2	0	0	0	0	114.7	E196 L197 D198 Y206	E196-S200 VanDerWaalsContact O-CB 3.23Å; E196-S200 WeakPolarHBondContact O-CB 3.5Å; E196-S200 PolarHBondContact O-N 2.81Å; E196-S200 PolarHBondContact O-OG 3.24Å; L197-S200 PolarHBondContact O-OG 3.25Å; D198-S200 VanDerWaalsContact C-N 3.3Å; D198-S200 PolarHBondContact O-N 3.41Å; S200-Y206 WeakPolarHBondContact O-CE2 3.41Å
201	R	87.2	Confident	83.9	Confident	168 Å²	168	72.8 Å²	72.8	63%	0.634	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-17.2	176.9	-64.4	173	178	176.3	-0.4	112.9	D198 Y199	D198-R201 PolarHBondContact O-N 2.86Å; Y199-R201 PolarHBondContact O-N 3.32Å
202	S	89.9	Confident	86.1	Confident	8 Å²	8	66.7 Å²	66.7	6%	0.056	33%	0.333	C	S	.	.	S	Bend	trans	-67.9	142.4	178.2	174.4	0	0	0	0	110.5	D149 Y199 D204 W205 Y206	D149-S202 PolarHBondContact OD1-OG 3Å; D149-S202 WeakPolarHBondContact OD2-CA 3.42Å; D149-S202 WeakPolarHBondContact OD2-CB 3.27Å; D149-S202 PolarHBondContact OD2-OG 3.35Å; Y199-S202 WeakPolarHBondContact O-CB 3.24Å; Y199-S202 PolarHBondContact O-N 2.94Å; S202-D204 PolarHBondContact O-N 3.24Å; S202-D204 PolarHBondContact OG-N 3.42Å; S202-W205 WeakPolarHBondContact O-CB 3.3Å; S202-W205 PolarHBondContact O-N 2.79Å; S202-W205 VanDerWaalsContact O-N 3.14Å; S202-Y206 WeakPolarHBondContact O-CD2 3.13Å
203	P	91.8	Very high	88	Confident	32 Å²	32	63.3 Å²	63.3	21%	0.208	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-35.2	174.3	-23.4	33.4	0	0	0	113.2	D149 L153 W205 Y206 L207	D149-P203 HydrophobicContact CB-CG 4.18Å; D149-P203 VanDerWaalsContact CG-CD 3.42Å; D149-P203 WeakPolarHBondContact OD2-CD 3.38Å; L153-P203 HydrophobicContact CD1-CB 3.95Å; L153-P203 HydrophobicContact CD1-CG 3.51Å; L153-P203 HydrophobicContact CD2-CB 3.77Å; L153-P203 HydrophobicContact CD2-CG 4.22Å; L153-P203 HydrophobicContact CG-CB 4Å; L153-P203 HydrophobicContact CG-CG 3.88Å; P203-W205 VanDerWaalsContact C-N 3.26Å; P203-W205 PolarHBondContact O-N 3.24Å; P203-Y206 PolarHBondContact O-N 3.48Å; P203-Y206 VanDerWaalsContact O-N 3.11Å; P203-L207 WeakPolarHBondContact O-CG 3.46Å; P203-L207 PolarHBondContact O-N 3.39Å
204	D	93	Very high	89.6	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-35.8	179.1	-86.2	6.2	0	0	0	112.1	R152 S202 Y206 L207 L208 A250 L254	R152-D204 IonicContact CZ-OD1 3.78Å; R152-D204 IonicContact CZ-OD2 3.51Å; R152-D204 IonicContact NE-OD1 2.69Å; R152-D204 PolarHBondContact NE-OD1 3.29Å; R152-D204 IonicContact NE-OD2 2.96Å; R152-D204 PolarHBondContact NE-OD2 3.32Å; R152-D204 IonicContact NH1-OD2 3.78Å; R152-D204 IonicContact NH2-OD1 3.06Å; R152-D204 PolarHBondContact NH2-OD1 3.38Å; R152-D204 IonicContact NH2-OD2 3.66Å; R152-D204 PolarHBondContact NH2-OD2 2.61Å; S202-D204 PolarHBondContact O-N 3.24Å; S202-D204 PolarHBondContact OG-N 3.42Å; D204-Y206 VanDerWaalsContact C-N 3.31Å; D204-Y206 PolarHBondContact O-N 2.61Å; D204-L207 PolarHBondContact O-N 3.38Å; D204-L208 WeakPolarHBondContact O-CB 3.4Å; D204-L208 VanDerWaalsContact O-CG 3.29Å; D204-L208 WeakPolarHBondContact O-CG 3.18Å; D204-L208 PolarHBondContact O-N 3.26Å; D204-A250 WeakPolarHBondContact OD2-CA 3.31Å; D204-A250 VanDerWaalsContact OD2-CB 3.23Å; D204-A250 WeakPolarHBondContact OD2-CB 3.43Å; D204-L254 HydrophobicContact CB-CD1 4Å; D204-L254 HydrophobicContact CB-CD2 4.14Å
205	W	94.7	Very high	90.8	Very high	27 Å²	27	56.5 Å²	56.5	10%	0.102	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-42.6	175.8	-174.3	-86.1	0	0	0	111.9	E196 Y199 S202 P203 K209 L254 C257 Y258 S261	E196-W205 HydrophobicContact CG-CH2 3.81Å; E196-W205 HydrophobicContact CG-CZ2 4.36Å; Y199-W205 WeakPolarHBondContact O-CB 3.38Å; S202-W205 WeakPolarHBondContact O-CB 3.3Å; S202-W205 PolarHBondContact O-N 2.79Å; S202-W205 VanDerWaalsContact O-N 3.14Å; P203-W205 VanDerWaalsContact C-N 3.26Å; P203-W205 PolarHBondContact O-N 3.24Å; W205-K209 PolarHBondContact O-N 2.9Å; W205-L254 HydrophobicContact CE3-CD2 4.34Å; W205-L254 HydrophobicContact CE3-CG 4.44Å; W205-C257 HydrophobicContact CZ3-CB 4.45Å; W205-Y258 AromaticContact CD2-CD2 3.73Å; W205-Y258 HydrophobicContact CD2-CD2 3.73Å; W205-Y258 AromaticContact CE2-CD2 3.65Å; W205-Y258 AromaticContact CE3-CD2 3.93Å; W205-Y258 HydrophobicContact CE3-CD2 3.93Å; W205-Y258 HydrophobicContact CE3-CG 4.43Å; W205-Y258 HydrophobicContact CG-CD2 4.35Å; W205-Y258 HydrophobicContact CH2-CD2 4.02Å; W205-Y258 HydrophobicContact CH2-CG 4.49Å; W205-Y258 AromaticContact CZ2-CD2 3.8Å; W205-Y258 HydrophobicContact CZ2-CD2 3.8Å; W205-Y258 HydrophobicContact CZ2-CE2 4.49Å; W205-Y258 VanDerWaalsContact CZ3-CA 3.45Å; W205-Y258 HydrophobicContact CZ3-CD2 4.08Å; W205-Y258 HydrophobicContact CZ3-CG 4.37Å; W205-S261 WeakPolarHBondContact CH2-OG 3.45Å
206	Y	94	Very high	91.5	Very high	106 Å²	106	56.8 Å²	56.8	42%	0.416	27%	0.271	S	S	.	.	H	α-helix	trans	-68.3	-40.5	176.1	-69.5	-83.2	0	0	0	111.8	S200 S202 P203 D204 K209 I210	S200-Y206 WeakPolarHBondContact O-CE2 3.41Å; S202-Y206 WeakPolarHBondContact O-CD2 3.13Å; P203-Y206 PolarHBondContact O-N 3.48Å; P203-Y206 VanDerWaalsContact O-N 3.11Å; D204-Y206 VanDerWaalsContact C-N 3.31Å; D204-Y206 PolarHBondContact O-N 2.61Å; Y206-K209 PolarHBondContact O-N 3.45Å; Y206-I210 VanDerWaalsContact O-CG1 3.32Å; Y206-I210 WeakPolarHBondContact O-CG1 3.33Å; Y206-I210 PolarHBondContact O-N 2.96Å
207	L	94.4	Very high	91.7	Very high	60 Å²	60	54.4 Å²	54.4	31%	0.314	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-41.8	176.1	-67.7	175	0	0	0	111.7	P203 D204 I210 K211 L246	P203-L207 WeakPolarHBondContact O-CG 3.46Å; P203-L207 PolarHBondContact O-N 3.39Å; D204-L207 PolarHBondContact O-N 3.38Å; L207-I210 PolarHBondContact O-N 3.04Å; L207-K211 WeakPolarHBondContact O-CB 3.2Å; L207-K211 WeakPolarHBondContact O-CG 3.28Å; L207-K211 PolarHBondContact O-N 3.43Å; L207-L246 HydrophobicContact CB-CD1 4.12Å; L207-L246 HydrophobicContact CB-CD2 3.7Å; L207-L246 HydrophobicContact CD1-CD1 4.16Å
208	L	96.4	Very high	91.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-49.6	173.1	-74.3	171.8	0	0	0	110	D204 I210 K211 L212 L246 L247 L254 V255 Y258	D204-L208 WeakPolarHBondContact O-CB 3.4Å; D204-L208 VanDerWaalsContact O-CG 3.29Å; D204-L208 WeakPolarHBondContact O-CG 3.18Å; D204-L208 PolarHBondContact O-N 3.26Å; L208-I210 VanDerWaalsContact C-N 3.34Å; L208-I210 PolarHBondContact O-N 3.36Å; L208-K211 PolarHBondContact O-N 3.3Å; L208-L212 HydrophobicContact CB-CD1 4.43Å; L208-L212 HydrophobicContact CD2-CD1 4.19Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 PolarHBondContact O-N 3.11Å; L208-L246 HydrophobicContact CD2-CD2 3.81Å; L208-L246 HydrophobicContact CD2-CG 4.24Å; L208-L246 HydrophobicContact CG-CD2 4.07Å; L208-L247 HydrophobicContact CD2-CD2 3.72Å; L208-L254 HydrophobicContact CD1-CD2 3.48Å; L208-L254 VanDerWaalsContact CD1-CD2 3.48Å; L208-V255 HydrophobicContact CD1-CG2 4.16Å; L208-Y258 HydrophobicContact CB-CD1 4.24Å; L208-Y258 HydrophobicContact CB-CD2 4.28Å; L208-Y258 HydrophobicContact CB-CE1 4.23Å; L208-Y258 HydrophobicContact CB-CE2 4.24Å; L208-Y258 HydrophobicContact CB-CG 4.28Å; L208-Y258 HydrophobicContact CD1-CD1 4.24Å; L208-Y258 HydrophobicContact CD1-CD2 4.42Å; L208-Y258 HydrophobicContact CD1-CG 3.94Å
209	K	95.5	Very high	91.8	Very high	129 Å²	129	48.4 Å²	48.4	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-57.2	-44.3	178.5	-171.9	176.3	-178.4	175.4	0	113	W205 Y206 G213 Y258	W205-K209 PolarHBondContact O-N 2.9Å; Y206-K209 PolarHBondContact O-N 3.45Å; K209-G213 WeakPolarHBondContact O-CA 3.26Å; K209-G213 PolarHBondContact O-N 3.3Å; K209-Y258 WeakPolarHBondContact CA-OH 3.47Å; K209-Y258 HydrophobicContact CB-CE2 4.26Å
210	I	94.6	Very high	91.5	Very high	118 Å²	118	52 Å²	52	61%	0.605	26%	0.26	S	S	*	.	H	α-helix	trans	-67.8	-53.2	179.7	-67.7	165	0	0	0	110.5	Y206 L207 L208 Y214	Y206-I210 VanDerWaalsContact O-CG1 3.32Å; Y206-I210 WeakPolarHBondContact O-CG1 3.33Å; Y206-I210 PolarHBondContact O-N 2.96Å; L207-I210 PolarHBondContact O-N 3.04Å; L208-I210 VanDerWaalsContact C-N 3.34Å; L208-I210 PolarHBondContact O-N 3.36Å; I210-Y214 PolarHBondContact O-N 2.89Å; I210-Y214 VanDerWaalsContact O-N 3.07Å
211	K	95.3	Very high	91.1	Very high	41 Å²	41	53 Å²	53	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-70.3	-44.5	-172.4	-65.7	-170.7	-169.3	-60.5	0	112	L207 L208 F215 E242 L243 L246	L207-K211 WeakPolarHBondContact O-CB 3.2Å; L207-K211 WeakPolarHBondContact O-CG 3.28Å; L207-K211 PolarHBondContact O-N 3.43Å; L208-K211 PolarHBondContact O-N 3.3Å; K211-F215 WeakPolarHBondContact O-CD2 3.37Å; K211-E242 HydrophobicContact CD-CB 4.23Å; K211-E242 IonicContact NZ-OE2 3.72Å; K211-E242 PolarHBondContact NZ-OE2 2.99Å; K211-L243 HydrophobicContact CB-CD1 4.09Å; K211-L246 HydrophobicContact CD-CB 4.42Å; K211-L246 HydrophobicContact CD-CD2 3.89Å
212	L	95.6	Very high	90.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-71.2	-38	176.4	-71.7	172.5	0	0	0	111.9	L208 Y214 F215 E216 L243 Y258 P266 L270	L208-L212 HydrophobicContact CB-CD1 4.43Å; L208-L212 HydrophobicContact CD2-CD1 4.19Å; L208-L212 WeakPolarHBondContact O-CB 3.44Å; L208-L212 PolarHBondContact O-N 3.11Å; L212-Y214 VanDerWaalsContact C-N 3.27Å; L212-Y214 PolarHBondContact O-N 3.44Å; L212-F215 PolarHBondContact O-N 3.14Å; L212-F215 VanDerWaalsContact O-N 3.12Å; L212-E216 PolarHBondContact O-N 2.86Å; L212-L243 HydrophobicContact CD2-CD1 3.81Å; L212-L243 HydrophobicContact CD2-CD2 4.11Å; L212-L243 HydrophobicContact CG-CD1 4.06Å; L212-Y258 HydrophobicContact CD1-CD1 4.11Å; L212-Y258 HydrophobicContact CD1-CE1 3.55Å; L212-P266 HydrophobicContact CB-CB 3.87Å; L212-P266 HydrophobicContact CB-CG 4.25Å; L212-P266 HydrophobicContact CD1-CB 4.06Å; L212-P266 HydrophobicContact CD1-CG 4.41Å; L212-P266 HydrophobicContact CD2-CB 3.98Å; L212-P266 HydrophobicContact CG-CB 4.19Å; L212-L270 HydrophobicContact CD2-CD1 4.1Å
213	G	93.4	Very high	89	Confident	26 Å²	26	55.8 Å²	55.8	27%	0.268	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-35.2	176.7	0	0	0	0	0	113	K209 F215 E216 S217	K209-G213 WeakPolarHBondContact O-CA 3.26Å; K209-G213 PolarHBondContact O-N 3.3Å; G213-F215 PolarHBondContact O-N 3.44Å; G213-E216 PolarHBondContact O-N 2.91Å; G213-S217 PolarHBondContact O-N 3.22Å; G213-S217 PolarHBondContact O-OG 3.31Å
214	Y	92.5	Very high	87.6	Confident	60 Å²	60	58.1 Å²	58.1	24%	0.235	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-43.2	172.6	172.9	-93.7	0	0	0	112.7	I210 L212 S217 R218 R239	I210-Y214 PolarHBondContact O-N 2.89Å; I210-Y214 VanDerWaalsContact O-N 3.07Å; L212-Y214 VanDerWaalsContact C-N 3.27Å; L212-Y214 PolarHBondContact O-N 3.44Å; Y214-S217 PolarHBondContact O-OG 2.93Å; Y214-R218 WeakPolarHBondContact O-CB 3.45Å; Y214-R218 PolarHBondContact O-N 3.47Å; Y214-R239 VanDerWaalsContact CE1-CD 3.5Å
215	F	92.9	Very high	86	Confident	3 Å²	3	59.4 Å²	59.4	1%	0.013	30%	0.302	C	S	.	.	H	α-helix	trans	-75	-30.4	179.2	-67.9	-66.3	0	0	0	112.4	K211 L212 G213 Q219 R239 L240 L243 L270 L273	K211-F215 WeakPolarHBondContact O-CD2 3.37Å; L212-F215 PolarHBondContact O-N 3.14Å; L212-F215 VanDerWaalsContact O-N 3.12Å; G213-F215 PolarHBondContact O-N 3.44Å; F215-Q219 WeakPolarHBondContact O-CB 3.27Å; F215-Q219 PolarHBondContact O-N 3.35Å; F215-R239 HydrophobicContact CZ-CB 4.01Å; F215-L240 HydrophobicContact CD1-CD2 4.35Å; F215-L240 HydrophobicContact CE1-CD2 3.59Å; F215-L240 HydrophobicContact CE1-CG 3.79Å; F215-L240 HydrophobicContact CE2-CD2 3.87Å; F215-L240 HydrophobicContact CE2-CG 4.44Å; F215-L240 HydrophobicContact CZ-CB 4.39Å; F215-L240 HydrophobicContact CZ-CD2 3.33Å; F215-L240 HydrophobicContact CZ-CG 3.52Å; F215-L243 HydrophobicContact CD2-CD2 3.84Å; F215-L243 HydrophobicContact CE2-CB 4.29Å; F215-L243 HydrophobicContact CE2-CD2 3.73Å; F215-L270 HydrophobicContact CB-CD2 3.84Å; F215-L270 HydrophobicContact CD2-CD2 4.13Å; F215-L270 HydrophobicContact CG-CD2 3.92Å; F215-L273 HydrophobicContact CB-CD1 3.75Å; F215-L273 HydrophobicContact CD1-CD1 3.82Å; F215-L273 HydrophobicContact CG-CD1 4.21Å; F215-L273 WeakPolarHBondContact O-CD1 3.46Å
216	E	91.4	Very high	84.3	Confident	77 Å²	77	64 Å²	64	36%	0.36	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-45.3	170.5	-175.9	177.1	178.2	0	0	111.9	L212 G213 Q219 S220	L212-E216 PolarHBondContact O-N 2.86Å; G213-E216 PolarHBondContact O-N 2.91Å; E216-Q219 PolarHBondContact O-N 2.92Å; E216-S220 PolarHBondContact O-N 2.92Å; E216-S220 VanDerWaalsContact O-N 3.16Å; E216-S220 PolarHBondContact O-OG 3.22Å; E216-S220 VanDerWaalsContact O-OG 3.13Å
217	S	88.5	Confident	82.6	Confident	56 Å²	56	68.1 Å²	68.1	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-41.5	175.1	62.5	0	0	0	0	111.6	G213 Y214 Q219 S220 N221	G213-S217 PolarHBondContact O-N 3.22Å; G213-S217 PolarHBondContact O-OG 3.31Å; Y214-S217 PolarHBondContact O-OG 2.93Å; S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 3.45Å; S217-S220 WeakPolarHBondContact CA-OG 3.26Å; S217-S220 PolarHBondContact O-N 3.41Å; S217-S220 PolarHBondContact O-OG 3.04Å; S217-N221 WeakPolarHBondContact O-CB 3.45Å; S217-N221 PolarHBondContact O-N 3.46Å
218	R	85.8	Confident	80.8	Confident	20 Å²	20	67.1 Å²	67.1	8%	0.075	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-42.2	176.5	-170.4	179.2	-178.1	83.7	14.4	111.8	Y214 S220 N221 E224 C225 L273	Y214-R218 WeakPolarHBondContact O-CB 3.45Å; Y214-R218 PolarHBondContact O-N 3.47Å; R218-S220 VanDerWaalsContact C-N 3.3Å; R218-S220 PolarHBondContact O-N 2.93Å; R218-N221 PolarHBondContact O-N 3.4Å; R218-E224 PolarHBondContact NH2-O 3.45Å; R218-C225 PolarHBondContact O-SG 3.45Å; R218-L273 HydrophobicContact CB-CD2 4.45Å; R218-L273 HydrophobicContact CG-CD2 4.1Å
219	Q	84.6	Confident	78.9	Confident	32 Å²	32	72.3 Å²	72.3	15%	0.15	38%	0.375	C	S	.	.	H	α-helix	trans	-67.6	-30.6	-179.7	-177.7	56.6	6.8	0	0	113.1	F215 E216 S217 G272 L273	F215-Q219 WeakPolarHBondContact O-CB 3.27Å; F215-Q219 PolarHBondContact O-N 3.35Å; E216-Q219 PolarHBondContact O-N 2.92Å; S217-Q219 VanDerWaalsContact C-N 3.33Å; S217-Q219 PolarHBondContact O-N 3.45Å; Q219-G272 VanDerWaalsContact CD-C 3.5Å; Q219-G272 VanDerWaalsContact NE2-CA 3.26Å; Q219-G272 PolarHBondContact NE2-O 2.88Å; Q219-L273 HydrophobicContact CB-CD1 4.48Å; Q219-L273 HydrophobicContact CB-CD2 4.12Å; Q219-L273 HydrophobicContact CB-CG 3.96Å; Q219-L273 HydrophobicContact CG-CG 4.43Å; Q219-L273 VanDerWaalsContact OE1-CG 3.31Å
220	S	81.2	Confident	77.2	Confident	95 Å²	95	73.1 Å²	73.1	66%	0.664	38%	0.381	S	S	*	.	H	α-helix	trans	-81.9	-18.5	175.5	53.8	0	0	0	0	113.4	E216 S217 R218	E216-S220 PolarHBondContact O-N 2.92Å; E216-S220 VanDerWaalsContact O-N 3.16Å; E216-S220 PolarHBondContact O-OG 3.22Å; E216-S220 VanDerWaalsContact O-OG 3.13Å; S217-S220 WeakPolarHBondContact CA-OG 3.26Å; S217-S220 PolarHBondContact O-N 3.41Å; S217-S220 PolarHBondContact O-OG 3.04Å; R218-S220 VanDerWaalsContact C-N 3.3Å; R218-S220 PolarHBondContact O-N 2.93Å
221	N	79.9	Confident	75.3	Confident	49 Å²	49	75.1 Å²	75.1	26%	0.262	39%	0.388	S	S	.	.			trans	-95.5	94.1	178	-166.8	-9.3	0	0	0	111.9	S217 R218 Q223 E224 C225	S217-N221 WeakPolarHBondContact O-CB 3.45Å; S217-N221 PolarHBondContact O-N 3.46Å; R218-N221 PolarHBondContact O-N 3.4Å; N221-Q223 PolarHBondContact O-N 3.2Å; N221-Q223 VanDerWaalsContact O-N 3.14Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.45Å; N221-Q223 PolarHBondContact OD1-N 3.06Å; N221-Q223 VanDerWaalsContact OD1-N 3.13Å; N221-E224 HydrophobicContact CB-CB 4.18Å; N221-E224 HydrophobicContact CB-CG 4.36Å; N221-E224 WeakPolarHBondContact ND2-CG 3.43Å; N221-E224 PolarHBondContact ND2-OE1 3.16Å; N221-E224 PolarHBondContact O-N 3.38Å; N221-C225 PolarHBondContact O-N 3.39Å; N221-C225 VanDerWaalsContact O-N 3.13Å
222	D	68.6	Low	74.5	Confident	90 Å²	90	75.9 Å²	75.9	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-24.6	177.2	-73.7	-20.3	0	0	0	113.3	N226 R276	D222-N226 WeakPolarHBondContact O-CB 3.39Å; D222-N226 VanDerWaalsContact O-CG 3.32Å; D222-N226 PolarHBondContact O-N 2.88Å; D222-N226 PolarHBondContact O-ND2 3.11Å; D222-R276 IonicContact OD1-CZ 3.43Å; D222-R276 IonicContact OD1-NH1 3.59Å; D222-R276 PolarHBondContact OD1-NH1 3.3Å; D222-R276 IonicContact OD1-NH2 2.82Å; D222-R276 PolarHBondContact OD1-NH2 2.98Å
223	Q	65.8	Low	73.9	Confident	144 Å²	144	79.5 Å²	79.5	67%	0.673	41%	0.407	S	S	*	.	H	α-helix	trans	-72.7	-48.7	177	-63	-176.3	-11.9	0	0	110.7	N221 C225 N226 W227	N221-Q223 PolarHBondContact O-N 3.2Å; N221-Q223 VanDerWaalsContact O-N 3.14Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.45Å; N221-Q223 PolarHBondContact OD1-N 3.06Å; N221-Q223 VanDerWaalsContact OD1-N 3.13Å; Q223-C225 VanDerWaalsContact C-N 3.26Å; Q223-C225 PolarHBondContact O-N 2.87Å; Q223-N226 PolarHBondContact O-N 3.24Å; Q223-W227 PolarHBondContact O-N 3.45Å; Q223-W227 VanDerWaalsContact O-N 3.09Å
224	E	61.8	Low	73.6	Confident	81 Å²	81	84.2 Å²	84.2	38%	0.379	42%	0.422	S	S	.	.	H	α-helix	trans	-64.6	-31.4	177.8	-77.4	173.5	-147.1	0	0	113	R218 N221	R218-E224 PolarHBondContact NH2-O 3.45Å; N221-E224 HydrophobicContact CB-CB 4.18Å; N221-E224 HydrophobicContact CB-CG 4.36Å; N221-E224 WeakPolarHBondContact ND2-CG 3.43Å; N221-E224 PolarHBondContact ND2-OE1 3.16Å; N221-E224 PolarHBondContact O-N 3.38Å
225	C	58.3	Low	73.5	Confident	31 Å²	31	84.4 Å²	84.4	21%	0.209	43%	0.427	C	S	.	.	H	α-helix	trans	-68.8	-37.6	176.1	-80.5	0	0	0	0	112.9	R218 N221 Q223	R218-C225 PolarHBondContact O-SG 3.45Å; N221-C225 PolarHBondContact O-N 3.39Å; N221-C225 VanDerWaalsContact O-N 3.13Å; Q223-C225 VanDerWaalsContact C-N 3.26Å; Q223-C225 PolarHBondContact O-N 2.87Å
226	N	60.9	Low	73.3	Confident	124 Å²	124	84.6 Å²	84.6	66%	0.663	43%	0.428	S	S	*	.	H	α-helix	trans	-92	-23.9	-171.6	-71.1	-40.2	0	0	0	113.9	D222 Q223 G228	D222-N226 WeakPolarHBondContact O-CB 3.39Å; D222-N226 VanDerWaalsContact O-CG 3.32Å; D222-N226 PolarHBondContact O-N 2.88Å; D222-N226 PolarHBondContact O-ND2 3.11Å; Q223-N226 PolarHBondContact O-N 3.24Å; N226-G228 PolarHBondContact O-N 3.25Å
227	W	58.1	Low	73.4	Confident	193 Å²	193	82.9 Å²	82.9	73%	0.731	42%	0.421	S	S	*	.			trans	-97.8	83.9	-179.4	-68.3	83.3	0	0	0	110.4	Q223 L229	Q223-W227 PolarHBondContact O-N 3.45Å; Q223-W227 VanDerWaalsContact O-N 3.09Å; W227-L229 PolarHBondContact O-N 3.34Å
228	G	56.9	Low	73.6	Confident	39 Å²	39	84.7 Å²	84.7	40%	0.402	42%	0.423	S	S	.	.			trans	-85.5	81.5	179.4	0	0	0	0	0	113.2	N226 R233	N226-G228 PolarHBondContact O-N 3.25Å; G228-R233 PolarHBondContact O-NH2 3.34Å
229	L	56.2	Low	74	Confident	108 Å²	108	87.9 Å²	87.9	57%	0.565	44%	0.435	S	S	*	.			trans	-66.4	151.6	167.6	-63.6	169.2	0	0	0	110	W227 E231 D232 R233	W227-L229 PolarHBondContact O-N 3.34Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 2.87Å; L229-D232 WeakPolarHBondContact CB-OD2 3.21Å; L229-D232 PolarHBondContact O-N 2.9Å; L229-R233 WeakPolarHBondContact O-CG 3.37Å; L229-R233 PolarHBondContact O-N 3.49Å
230	H	58.4	Low	74.5	Confident	147 Å²	147	86.3 Å²	86.3	68%	0.681	43%	0.428	S	S	*	.	H	α-helix	trans	-62.9	-35.5	180	-80.4	-82.4	0	0	0	112.7	R233	H230-R233 PolarHBondContact CE1-NH1 2.97Å; H230-R233 WeakPolarHBondContact O-CB 3.35Å; H230-R233 PolarHBondContact O-N 3.49Å
231	E	56	Low	75.1	Confident	160 Å²	160	84.5 Å²	84.5	75%	0.748	41%	0.411	S	S	*	.	H	α-helix	trans	-63.2	-43.6	177.5	-63.9	-177.4	173.6	0	0	110.6	L229 R233 H234 D235	L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 2.87Å; E231-R233 PolarHBondContact O-N 3.44Å; E231-R233 VanDerWaalsContact O-N 3.16Å; E231-H234 PolarHBondContact O-N 3.39Å; E231-D235 PolarHBondContact O-N 3.31Å
232	D	77.1	Confident	75.8	Confident	56 Å²	56	86 Å²	86	30%	0.299	42%	0.416	S	S	.	.	H	α-helix	trans	-59.8	-30.5	176.4	-58.2	-23.7	0	0	0	112.7	L229 D235 I236	L229-D232 WeakPolarHBondContact CB-OD2 3.21Å; L229-D232 PolarHBondContact O-N 2.9Å; D232-D235 WeakPolarHBondContact O-CB 3.41Å; D232-I236 HydrophobicContact CB-CD1 4.42Å; D232-I236 WeakPolarHBondContact O-CB 3.42Å; D232-I236 WeakPolarHBondContact O-CD1 3.36Å; D232-I236 WeakPolarHBondContact O-CG1 3.25Å; D232-I236 PolarHBondContact O-N 3.5Å
233	R	84.2	Confident	77.1	Confident	78 Å²	78	81.7 Å²	81.7	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-69.6	-43.8	-176.7	-65.3	167.5	-167.2	-174.4	9.2	112.6	G228 L229 H230 E231 D235 I236 I237 M279	G228-R233 PolarHBondContact O-NH2 3.34Å; L229-R233 WeakPolarHBondContact O-CG 3.37Å; L229-R233 PolarHBondContact O-N 3.49Å; H230-R233 PolarHBondContact CE1-NH1 2.97Å; H230-R233 WeakPolarHBondContact O-CB 3.35Å; H230-R233 PolarHBondContact O-N 3.49Å; E231-R233 PolarHBondContact O-N 3.44Å; E231-R233 VanDerWaalsContact O-N 3.16Å; R233-D235 VanDerWaalsContact C-N 3.31Å; R233-I236 PolarHBondContact O-N 2.92Å; R233-I237 VanDerWaalsContact O-CG1 3.26Å; R233-I237 WeakPolarHBondContact O-CG1 3.23Å; R233-I237 PolarHBondContact O-N 2.91Å; R233-I237 VanDerWaalsContact O-N 3.07Å; R233-M279 VanDerWaalsContact CD-SD 3.51Å; R233-M279 HydrophobicContact CG-SD 3.95Å
234	H	87.1	Confident	78.5	Confident	125 Å²	125	75.1 Å²	75.1	58%	0.579	36%	0.362	S	S	*	.	H	α-helix	trans	-63	-46	177.4	-178.9	-82.2	0	0	0	109.7	E231 I236 I237 E238	E231-H234 PolarHBondContact O-N 3.39Å; H234-I236 VanDerWaalsContact C-N 3.34Å; H234-I236 PolarHBondContact O-N 3.25Å; H234-I237 PolarHBondContact O-N 3.3Å; H234-I237 VanDerWaalsContact O-N 3.12Å; H234-E238 IonicContact CE1-OE2 3Å; H234-E238 IonicContact ND1-OE2 4Å; H234-E238 WeakPolarHBondContact O-CB 3.37Å; H234-E238 PolarHBondContact O-N 3.49Å
235	D	89.6	Confident	80	Confident	64 Å²	64	73.4 Å²	73.4	34%	0.342	36%	0.358	S	S	.	.	H	α-helix	trans	-56	-42.2	176.3	-95.9	41.8	0	0	0	113.9	E231 D232 R233 R239	E231-D235 PolarHBondContact O-N 3.31Å; D232-D235 WeakPolarHBondContact O-CB 3.41Å; R233-D235 VanDerWaalsContact C-N 3.31Å; D235-R239 VanDerWaalsContact CG-NH1 3.33Å; D235-R239 WeakPolarHBondContact O-CB 2.97Å; D235-R239 VanDerWaalsContact O-CG 3.24Å; D235-R239 WeakPolarHBondContact O-CG 3.38Å; D235-R239 PolarHBondContact O-N 3.35Å; D235-R239 VanDerWaalsContact O-N 3.08Å; D235-R239 PolarHBondContact O-NH1 2.8Å; D235-R239 IonicContact OD2-CZ 3.61Å; D235-R239 IonicContact OD2-NH1 3.3Å; D235-R239 PolarHBondContact OD2-NH1 3Å; D235-R239 IonicContact OD2-NH2 3.34Å
236	I	90.2	Very high	81.7	Confident	7 Å²	7	72.5 Å²	72.5	4%	0.036	35%	0.351	C	S	.	.	H	α-helix	trans	-68	-44	175.5	-67.8	155.1	0	0	0	110.6	D232 R233 H234 R239 L240 I282	D232-I236 HydrophobicContact CB-CD1 4.42Å; D232-I236 WeakPolarHBondContact O-CB 3.42Å; D232-I236 WeakPolarHBondContact O-CD1 3.36Å; D232-I236 WeakPolarHBondContact O-CG1 3.25Å; D232-I236 PolarHBondContact O-N 3.5Å; R233-I236 PolarHBondContact O-N 2.92Å; H234-I236 VanDerWaalsContact C-N 3.34Å; H234-I236 PolarHBondContact O-N 3.25Å; I236-R239 PolarHBondContact O-N 3.37Å; I236-L240 HydrophobicContact CG2-CD1 3.8Å; I236-L240 HydrophobicContact CG2-CG 4.33Å; I236-L240 WeakPolarHBondContact O-CB 3.42Å; I236-L240 VanDerWaalsContact O-CG 3.3Å; I236-L240 WeakPolarHBondContact O-CG 3.5Å; I236-L240 PolarHBondContact O-N 2.93Å; I236-I282 HydrophobicContact CG2-CD1 4.18Å; I236-I282 HydrophobicContact CG2-CG1 4.43Å; I236-I282 HydrophobicContact CG2-CG2 3.87Å
237	I	92.1	Very high	83.3	Confident	42 Å²	42	66.7 Å²	66.7	22%	0.215	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-44.2	-179.9	-70.9	168	0	0	0	110.4	R233 H234 L240 N241 K281 I282	R233-I237 VanDerWaalsContact O-CG1 3.26Å; R233-I237 WeakPolarHBondContact O-CG1 3.23Å; R233-I237 PolarHBondContact O-N 2.91Å; R233-I237 VanDerWaalsContact O-N 3.07Å; H234-I237 PolarHBondContact O-N 3.3Å; H234-I237 VanDerWaalsContact O-N 3.12Å; I237-L240 PolarHBondContact O-N 3.2Å; I237-N241 WeakPolarHBondContact O-CB 3.31Å; I237-N241 VanDerWaalsContact O-CG 3.26Å; I237-N241 PolarHBondContact O-N 3.44Å; I237-N241 PolarHBondContact O-ND2 2.78Å; I237-K281 HydrophobicContact CD1-CB 4.47Å; I237-I282 HydrophobicContact CD1-CG1 4.33Å; I237-I282 HydrophobicContact CG1-CG1 3.88Å
238	E	93.3	Very high	84.9	Confident	93 Å²	93	58.9 Å²	58.9	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-61.2	-50.3	176.8	-173.4	171.4	-170.8	0	0	111.1	H234 L240 N241 E242	H234-E238 IonicContact CE1-OE2 3Å; H234-E238 IonicContact ND1-OE2 4Å; H234-E238 WeakPolarHBondContact O-CB 3.37Å; H234-E238 PolarHBondContact O-N 3.49Å; E238-L240 VanDerWaalsContact C-N 3.29Å; E238-L240 PolarHBondContact O-N 2.99Å; E238-N241 WeakPolarHBondContact O-CB 3.46Å; E238-N241 PolarHBondContact O-N 2.97Å; E238-E242 WeakPolarHBondContact O-CG 3.43Å; E238-E242 PolarHBondContact O-N 3Å
239	R	94.1	Very high	86.5	Confident	87 Å²	87	60 Å²	60	33%	0.328	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-37.5	176.1	-73.5	175.3	175.3	87.3	-5.7	113	Y214 F215 D235 I236 L243	Y214-R239 VanDerWaalsContact CE1-CD 3.5Å; F215-R239 HydrophobicContact CZ-CB 4.01Å; D235-R239 VanDerWaalsContact CG-NH1 3.33Å; D235-R239 WeakPolarHBondContact O-CB 2.97Å; D235-R239 VanDerWaalsContact O-CG 3.24Å; D235-R239 WeakPolarHBondContact O-CG 3.38Å; D235-R239 PolarHBondContact O-N 3.35Å; D235-R239 VanDerWaalsContact O-N 3.08Å; D235-R239 PolarHBondContact O-NH1 2.8Å; D235-R239 IonicContact OD2-CZ 3.61Å; D235-R239 IonicContact OD2-NH1 3.3Å; D235-R239 PolarHBondContact OD2-NH1 3Å; D235-R239 IonicContact OD2-NH2 3.34Å; I236-R239 PolarHBondContact O-N 3.37Å; R239-L243 WeakPolarHBondContact O-CB 3.42Å; R239-L243 PolarHBondContact O-N 3.46Å
240	L	95.2	Very high	88.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-35.8	174.6	-75.5	170.8	0	0	0	112.4	F215 I236 I237 E238 L243 N244 I282 K285 L286	F215-L240 HydrophobicContact CD1-CD2 4.35Å; F215-L240 HydrophobicContact CE1-CD2 3.59Å; F215-L240 HydrophobicContact CE1-CG 3.79Å; F215-L240 HydrophobicContact CE2-CD2 3.87Å; F215-L240 HydrophobicContact CE2-CG 4.44Å; F215-L240 HydrophobicContact CZ-CB 4.39Å; F215-L240 HydrophobicContact CZ-CD2 3.33Å; F215-L240 HydrophobicContact CZ-CG 3.52Å; I236-L240 HydrophobicContact CG2-CD1 3.8Å; I236-L240 HydrophobicContact CG2-CG 4.33Å; I236-L240 WeakPolarHBondContact O-CB 3.42Å; I236-L240 VanDerWaalsContact O-CG 3.3Å; I236-L240 WeakPolarHBondContact O-CG 3.5Å; I236-L240 PolarHBondContact O-N 2.93Å; I237-L240 PolarHBondContact O-N 3.2Å; E238-L240 VanDerWaalsContact C-N 3.29Å; E238-L240 PolarHBondContact O-N 2.99Å; L240-L243 HydrophobicContact CD2-CD2 4.48Å; L240-L243 PolarHBondContact O-N 2.97Å; L240-N244 WeakPolarHBondContact O-CB 3.5Å; L240-N244 VanDerWaalsContact O-CG 3.3Å; L240-N244 PolarHBondContact O-N 2.95Å; L240-N244 PolarHBondContact O-ND2 3.26Å; L240-I282 HydrophobicContact CD1-CG2 3.71Å; L240-K285 HydrophobicContact CB-CB 3.85Å; L240-K285 HydrophobicContact CD1-CB 3.89Å; L240-K285 HydrophobicContact CG-CB 4.41Å; L240-L286 HydrophobicContact CD1-CD2 4.35Å; L240-L286 HydrophobicContact CD1-CG 4.04Å; L240-L286 HydrophobicContact CD2-CD2 3.66Å; L240-L286 HydrophobicContact CD2-CG 4.12Å
241	N	94.4	Very high	89.8	Confident	56 Å²	56	48.7 Å²	48.7	30%	0.299	23%	0.231	S	C	.	.	H	α-helix	trans	-64.2	-44.9	173.4	-74.3	-34.6	0	0	0	110.7	I237 E238 L243 N244 T245 K285	I237-N241 WeakPolarHBondContact O-CB 3.31Å; I237-N241 VanDerWaalsContact O-CG 3.26Å; I237-N241 PolarHBondContact O-N 3.44Å; I237-N241 PolarHBondContact O-ND2 2.78Å; E238-N241 WeakPolarHBondContact O-CB 3.46Å; E238-N241 PolarHBondContact O-N 2.97Å; N241-L243 VanDerWaalsContact C-N 3.34Å; N241-L243 PolarHBondContact O-N 3.35Å; N241-N244 PolarHBondContact O-N 3.02Å; N241-T245 WeakPolarHBondContact O-CB 3.31Å; N241-T245 PolarHBondContact O-N 3.39Å; N241-T245 PolarHBondContact O-OG1 2.7Å; N241-T245 VanDerWaalsContact O-OG1 3.07Å; N241-K285 WeakPolarHBondContact OD1-CD 3.39Å; N241-K285 WeakPolarHBondContact OD1-CE 3.25Å; N241-K285 PolarHBondContact OD1-NZ 3.27Å
242	E	94.1	Very high	91.6	Very high	81 Å²	81	44.1 Å²	44.1	38%	0.379	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-40.6	175	-67.4	-179.6	173.8	0	0	112.5	K211 E238 T245 L246	K211-E242 HydrophobicContact CD-CB 4.23Å; K211-E242 IonicContact NZ-OE2 3.72Å; K211-E242 PolarHBondContact NZ-OE2 2.99Å; E238-E242 WeakPolarHBondContact O-CG 3.43Å; E238-E242 PolarHBondContact O-N 3Å; E242-T245 PolarHBondContact O-N 3.26Å; E242-L246 WeakPolarHBondContact O-CB 3.3Å; E242-L246 PolarHBondContact O-N 3.46Å
243	L	96.1	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-49.2	174.5	175.5	63.2	0	0	0	110.7	K211 L212 F215 R239 L240 N241 T245 L246 L247 L270	K211-L243 HydrophobicContact CB-CD1 4.09Å; L212-L243 HydrophobicContact CD2-CD1 3.81Å; L212-L243 HydrophobicContact CD2-CD2 4.11Å; L212-L243 HydrophobicContact CG-CD1 4.06Å; F215-L243 HydrophobicContact CD2-CD2 3.84Å; F215-L243 HydrophobicContact CE2-CB 4.29Å; F215-L243 HydrophobicContact CE2-CD2 3.73Å; R239-L243 WeakPolarHBondContact O-CB 3.42Å; R239-L243 PolarHBondContact O-N 3.46Å; L240-L243 HydrophobicContact CD2-CD2 4.48Å; L240-L243 PolarHBondContact O-N 2.97Å; N241-L243 VanDerWaalsContact C-N 3.34Å; N241-L243 PolarHBondContact O-N 3.35Å; L243-T245 VanDerWaalsContact C-N 3.34Å; L243-T245 PolarHBondContact O-N 3.42Å; L243-L246 PolarHBondContact O-N 2.75Å; L243-L247 HydrophobicContact CD1-CD1 3.98Å; L243-L247 HydrophobicContact CD1-CD2 4.44Å; L243-L247 HydrophobicContact CD1-CG 3.97Å; L243-L247 HydrophobicContact CG-CD1 3.97Å; L243-L247 HydrophobicContact CG-CG 4.34Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.36Å; L243-L247 PolarHBondContact O-N 3.04Å; L243-L270 HydrophobicContact CD2-CD1 4.39Å; L243-L270 HydrophobicContact CD2-CD2 4.21Å
244	N	94.7	Very high	92.7	Very high	5 Å²	5	44 Å²	44	3%	0.027	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-46.1	177.8	-75.9	-46.5	0	0	0	111.4	L240 N241 L246 L247 E248 K285 S289 I292	L240-N244 WeakPolarHBondContact O-CB 3.5Å; L240-N244 VanDerWaalsContact O-CG 3.3Å; L240-N244 PolarHBondContact O-N 2.95Å; L240-N244 PolarHBondContact O-ND2 3.26Å; N241-N244 PolarHBondContact O-N 3.02Å; N244-L246 VanDerWaalsContact C-N 3.33Å; N244-L246 PolarHBondContact O-N 3.33Å; N244-L247 PolarHBondContact O-N 3.4Å; N244-E248 WeakPolarHBondContact O-CB 3.46Å; N244-E248 VanDerWaalsContact O-CG 3.26Å; N244-E248 WeakPolarHBondContact O-CG 3.41Å; N244-E248 PolarHBondContact O-N 2.77Å; N244-K285 PolarHBondContact ND2-O 3.24Å; N244-S289 WeakPolarHBondContact OD1-CA 3.42Å; N244-S289 WeakPolarHBondContact OD1-CB 3.49Å; N244-S289 PolarHBondContact OD1-N 2.84Å; N244-S289 PolarHBondContact OD1-OG 2.86Å; N244-I292 HydrophobicContact CB-CD1 4.37Å
245	T	92.7	Very high	93.1	Very high	45 Å²	45	38 Å²	38	28%	0.276	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-42.2	176.9	-63.8	0	0	0	0	111.8	N241 E242 L243 K249	N241-T245 WeakPolarHBondContact O-CB 3.31Å; N241-T245 PolarHBondContact O-N 3.39Å; N241-T245 PolarHBondContact O-OG1 2.7Å; N241-T245 VanDerWaalsContact O-OG1 3.07Å; E242-T245 PolarHBondContact O-N 3.26Å; L243-T245 VanDerWaalsContact C-N 3.34Å; L243-T245 PolarHBondContact O-N 3.42Å; T245-K249 HydrophobicContact CG2-CD 3.76Å; T245-K249 HydrophobicContact CG2-CG 4.43Å; T245-K249 VanDerWaalsContact O-CB 3.26Å; T245-K249 WeakPolarHBondContact O-CB 3.45Å; T245-K249 VanDerWaalsContact O-CG 3.32Å; T245-K249 WeakPolarHBondContact O-CG 3.22Å; T245-K249 PolarHBondContact O-N 3.29Å
246	L	94.2	Very high	93.4	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-50.3	176.2	176.2	64.6	0	0	0	111.1	L207 L208 K211 E242 L243 N244 E248 K249 A250	L207-L246 HydrophobicContact CB-CD1 4.12Å; L207-L246 HydrophobicContact CB-CD2 3.7Å; L207-L246 HydrophobicContact CD1-CD1 4.16Å; L208-L246 HydrophobicContact CD2-CD2 3.81Å; L208-L246 HydrophobicContact CD2-CG 4.24Å; L208-L246 HydrophobicContact CG-CD2 4.07Å; K211-L246 HydrophobicContact CD-CB 4.42Å; K211-L246 HydrophobicContact CD-CD2 3.89Å; E242-L246 WeakPolarHBondContact O-CB 3.3Å; E242-L246 PolarHBondContact O-N 3.46Å; L243-L246 PolarHBondContact O-N 2.75Å; N244-L246 VanDerWaalsContact C-N 3.33Å; N244-L246 PolarHBondContact O-N 3.33Å; L246-E248 VanDerWaalsContact C-N 3.29Å; L246-E248 PolarHBondContact O-N 2.73Å; L246-K249 PolarHBondContact O-N 2.52Å; L246-A250 HydrophobicContact CD1-CB 4.45Å; L246-A250 WeakPolarHBondContact O-CB 3.42Å; L246-A250 PolarHBondContact O-N 3.38Å
247	L	95.1	Very high	93.6	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-34.9	-178.5	-67.6	177.6	0	0	0	112.6	L208 L243 N244 V255 I292 L293	L208-L247 HydrophobicContact CD2-CD2 3.72Å; L243-L247 HydrophobicContact CD1-CD1 3.98Å; L243-L247 HydrophobicContact CD1-CD2 4.44Å; L243-L247 HydrophobicContact CD1-CG 3.97Å; L243-L247 HydrophobicContact CG-CD1 3.97Å; L243-L247 HydrophobicContact CG-CG 4.34Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.36Å; L243-L247 PolarHBondContact O-N 3.04Å; N244-L247 PolarHBondContact O-N 3.4Å; L247-V255 HydrophobicContact CD2-CG1 3.96Å; L247-I292 HydrophobicContact CB-CB 4.44Å; L247-I292 HydrophobicContact CB-CD1 4.35Å; L247-I292 HydrophobicContact CB-CG2 3.74Å; L247-L293 HydrophobicContact CD1-CD2 4Å; L247-L293 HydrophobicContact CD1-CG 4.11Å; L247-L293 HydrophobicContact CD2-CD2 3.68Å; L247-L293 HydrophobicContact CG-CD2 4.45Å
248	E	91.7	Very high	93.8	Very high	28 Å²	28	36.2 Å²	36.2	13%	0.131	18%	0.18	C	C	.	.	H	α-helix	trans	-75	-33.4	177.7	-74.8	176.6	172.1	0	0	113.1	N244 L246 R288 I292 P479 H529	N244-E248 WeakPolarHBondContact O-CB 3.46Å; N244-E248 VanDerWaalsContact O-CG 3.26Å; N244-E248 WeakPolarHBondContact O-CG 3.41Å; N244-E248 PolarHBondContact O-N 2.77Å; L246-E248 VanDerWaalsContact C-N 3.29Å; L246-E248 PolarHBondContact O-N 2.73Å; E248-R288 IonicContact OE1-CZ 2.84Å; E248-R288 IonicContact OE1-NE 2.66Å; E248-R288 IonicContact OE1-NH2 3.07Å; E248-R288 PolarHBondContact OE1-NH2 3.41Å; E248-I292 HydrophobicContact CG-CD1 3.61Å; E248-I292 HydrophobicContact CG-CG1 4.17Å; E248-P479 HydrophobicContact CB-CG 3.68Å; E248-P479 HydrophobicContact CG-CG 3.84Å; E248-H529 IonicContact OE1-CE1 2.8Å; E248-H529 PolarHBondContact OE1-CE1 3.32Å; E248-H529 IonicContact OE1-ND1 3.75Å; E248-H529 IonicContact OE2-CE1 2.66Å; E248-H529 PolarHBondContact OE2-CE1 3.14Å; E248-H529 VanDerWaalsContact OE2-CE1 3.25Å; E248-H529 IonicContact OE2-NE2 3.23Å
249	K	90.8	Very high	94	Very high	62 Å²	62	31.8 Å²	31.8	27%	0.27	16%	0.159	S	C	.	.	H	α-helix	trans	-93.4	-28.5	-175	-72.1	-176.4	-179.6	179	0	113.5	R152 N156 Y159 T245 L246	R152-K249 PolarHBondContact NH1-O 2.79Å; R152-K249 PolarHBondContact NH2-O 2.64Å; N156-K249 WeakPolarHBondContact O-CD 3.48Å; N156-K249 PolarHBondContact O-NZ 3.21Å; Y159-K249 WeakPolarHBondContact CB-O 3.46Å; Y159-K249 PolarHBondContact N-O 3.02Å; T245-K249 HydrophobicContact CG2-CD 3.76Å; T245-K249 HydrophobicContact CG2-CG 4.43Å; T245-K249 VanDerWaalsContact O-CB 3.26Å; T245-K249 WeakPolarHBondContact O-CB 3.45Å; T245-K249 VanDerWaalsContact O-CG 3.32Å; T245-K249 WeakPolarHBondContact O-CG 3.22Å; T245-K249 PolarHBondContact O-N 3.29Å; L246-K249 PolarHBondContact O-N 2.52Å
250	A	92.3	Very high	94	Very high	6 Å²	6	32.1 Å²	32.1	5%	0.05	16%	0.164	C	C	.	.	S	Bend	trans	-62.2	161.7	-175.4	0	0	0	0	0	113.2	D204 L246 P252 V255	D204-A250 WeakPolarHBondContact OD2-CA 3.31Å; D204-A250 VanDerWaalsContact OD2-CB 3.23Å; D204-A250 WeakPolarHBondContact OD2-CB 3.43Å; L246-A250 HydrophobicContact CD1-CB 4.45Å; L246-A250 WeakPolarHBondContact O-CB 3.42Å; L246-A250 PolarHBondContact O-N 3.38Å; A250-P252 VanDerWaalsContact O-CD 3.24Å; A250-P252 WeakPolarHBondContact O-CD 3.45Å; A250-V255 HydrophobicContact CB-CG2 3.6Å
251	D	91.9	Very high	94	Very high	12 Å²	12	34 Å²	34	6%	0.064	18%	0.178	C	C	.	.			trans	-60.7	119.2	169.3	179	-2.1	0	0	0	109.1	Y159 K253 L254 V255	Y159-D251 HydrophobicContact CD1-CB 3.78Å; Y159-D251 HydrophobicContact CD2-CB 3.77Å; Y159-D251 HydrophobicContact CE1-CB 3.93Å; Y159-D251 HydrophobicContact CE2-CB 3.9Å; Y159-D251 HydrophobicContact CG-CB 3.7Å; D251-K253 PolarHBondContact O-N 3.27Å; D251-K253 PolarHBondContact OD1-N 3.38Å; D251-L254 HydrophobicContact CB-CB 3.84Å; D251-L254 WeakPolarHBondContact O-CB 3.38Å; D251-L254 PolarHBondContact O-N 2.98Å; D251-L254 VanDerWaalsContact O-N 3.14Å; D251-V255 WeakPolarHBondContact O-CG2 2.96Å; D251-V255 PolarHBondContact O-N 3.44Å; D251-V255 VanDerWaalsContact O-N 3.07Å
252	P	92.3	Very high	94	Very high	64 Å²	64	33.2 Å²	33.2	42%	0.416	17%	0.174	S	C	.	.	H	α-helix	trans	-49.9	-41.4	175.9	-30.9	38.8	0	0	0	113.3	A250 V255 V256 L296	A250-P252 VanDerWaalsContact O-CD 3.24Å; A250-P252 WeakPolarHBondContact O-CD 3.45Å; P252-V255 PolarHBondContact O-N 2.98Å; P252-V256 VanDerWaalsContact O-CG2 3.28Å; P252-V256 WeakPolarHBondContact O-CG2 3.4Å; P252-V256 PolarHBondContact O-N 3.37Å; P252-L296 HydrophobicContact CB-CD2 3.64Å; P252-L296 HydrophobicContact CG-CD2 4.17Å
253	K	92.1	Very high	94	Very high	127 Å²	127	37.4 Å²	37.4	55%	0.552	19%	0.191	S	C	*	.	H	α-helix	trans	-68.6	-39.7	-177.3	-64.7	-177.9	-179.7	179.3	0	111.6	Y199 D251 V256 C257	Y199-K253 WeakPolarHBondContact OH-CB 3.35Å; D251-K253 PolarHBondContact O-N 3.27Å; D251-K253 PolarHBondContact OD1-N 3.38Å; K253-V256 PolarHBondContact O-N 3.31Å; K253-C257 VanDerWaalsContact O-CB 3.29Å; K253-C257 WeakPolarHBondContact O-CB 3.3Å; K253-C257 PolarHBondContact O-N 3.46Å
254	L	94	Very high	94	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-49.2	174.1	-176.9	158.7	0	0	0	111	Y199 D204 W205 L208 D251 V256 C257 Y258	Y199-L254 HydrophobicContact CD1-CB 3.5Å; Y199-L254 HydrophobicContact CD1-CD1 3.89Å; Y199-L254 HydrophobicContact CD1-CG 3.72Å; Y199-L254 HydrophobicContact CE1-CB 3.74Å; Y199-L254 HydrophobicContact CE1-CG 4.46Å; Y199-L254 HydrophobicContact CG-CB 4.21Å; Y199-L254 HydrophobicContact CG-CG 4.2Å; D204-L254 HydrophobicContact CB-CD1 4Å; D204-L254 HydrophobicContact CB-CD2 4.14Å; W205-L254 HydrophobicContact CE3-CD2 4.34Å; W205-L254 HydrophobicContact CE3-CG 4.44Å; L208-L254 HydrophobicContact CD1-CD2 3.48Å; L208-L254 VanDerWaalsContact CD1-CD2 3.48Å; D251-L254 HydrophobicContact CB-CB 3.84Å; D251-L254 WeakPolarHBondContact O-CB 3.38Å; D251-L254 PolarHBondContact O-N 2.98Å; D251-L254 VanDerWaalsContact O-N 3.14Å; L254-V256 VanDerWaalsContact C-N 3.34Å; L254-V256 PolarHBondContact O-N 3.22Å; L254-C257 PolarHBondContact O-N 2.94Å; L254-Y258 WeakPolarHBondContact O-CB 3.48Å; L254-Y258 PolarHBondContact O-N 3.38Å
255	V	95.4	Very high	94	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-44.5	-179	179.5	0	0	0	0	110.5	L208 L247 A250 D251 P252 Y258 L259 L293 L296	L208-V255 HydrophobicContact CD1-CG2 4.16Å; L247-V255 HydrophobicContact CD2-CG1 3.96Å; A250-V255 HydrophobicContact CB-CG2 3.6Å; D251-V255 WeakPolarHBondContact O-CG2 2.96Å; D251-V255 PolarHBondContact O-N 3.44Å; D251-V255 VanDerWaalsContact O-N 3.07Å; P252-V255 PolarHBondContact O-N 2.98Å; V255-Y258 WeakPolarHBondContact O-CB 3.31Å; V255-Y258 PolarHBondContact O-N 3.14Å; V255-L259 HydrophobicContact CG1-CD1 4.28Å; V255-L259 WeakPolarHBondContact O-CG 3.41Å; V255-L259 PolarHBondContact O-N 2.67Å; V255-L293 HydrophobicContact CG1-CD2 4.06Å; V255-L296 HydrophobicContact CB-CD1 4Å; V255-L296 HydrophobicContact CG1-CD1 3.6Å
256	V	94.9	Very high	94.1	Very high	32 Å²	32	40.8 Å²	40.8	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-48.7	176.1	173.2	0	0	0	0	110.6	P252 K253 L254 Y258 L259 H260 L296 D297	P252-V256 VanDerWaalsContact O-CG2 3.28Å; P252-V256 WeakPolarHBondContact O-CG2 3.4Å; P252-V256 PolarHBondContact O-N 3.37Å; K253-V256 PolarHBondContact O-N 3.31Å; L254-V256 VanDerWaalsContact C-N 3.34Å; L254-V256 PolarHBondContact O-N 3.22Å; V256-Y258 VanDerWaalsContact C-N 3.28Å; V256-Y258 PolarHBondContact O-N 3.2Å; V256-L259 PolarHBondContact O-N 3.42Å; V256-L259 VanDerWaalsContact O-N 3.12Å; V256-H260 PolarHBondContact O-CD2 2.66Å; V256-H260 VanDerWaalsContact O-CD2 3.24Å; V256-H260 PolarHBondContact O-N 3.23Å; V256-L296 HydrophobicContact CG2-CB 3.96Å; V256-D297 HydrophobicContact CG1-CB 4.18Å; V256-D297 HydrophobicContact CG2-CB 3.93Å
257	C	95.2	Very high	94.2	Very high	30 Å²	30	40.2 Å²	40.2	20%	0.203	20%	0.203	C	C	.	.	H	α-helix	trans	-55.6	-43.9	177.2	-174.4	0	0	0	0	111.9	Y199 W205 K253 L254 H260 S261	Y199-C257 HydrophobicContact CD2-CB 3.89Å; Y199-C257 HydrophobicContact CE2-CB 4.25Å; W205-C257 HydrophobicContact CZ3-CB 4.45Å; K253-C257 VanDerWaalsContact O-CB 3.29Å; K253-C257 WeakPolarHBondContact O-CB 3.3Å; K253-C257 PolarHBondContact O-N 3.46Å; L254-C257 PolarHBondContact O-N 2.94Å; C257-H260 PolarHBondContact O-N 2.8Å; C257-S261 PolarHBondContact O-N 3.18Å
258	Y	96.5	Very high	94.2	Very high	13 Å²	13	43.9 Å²	43.9	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-48.2	174.9	179	-90.1	0	0	0	112.3	W205 L208 K209 L212 L254 V255 V256 H260 S261 V262 P266	W205-Y258 AromaticContact CD2-CD2 3.73Å; W205-Y258 HydrophobicContact CD2-CD2 3.73Å; W205-Y258 AromaticContact CE2-CD2 3.65Å; W205-Y258 AromaticContact CE3-CD2 3.93Å; W205-Y258 HydrophobicContact CE3-CD2 3.93Å; W205-Y258 HydrophobicContact CE3-CG 4.43Å; W205-Y258 HydrophobicContact CG-CD2 4.35Å; W205-Y258 HydrophobicContact CH2-CD2 4.02Å; W205-Y258 HydrophobicContact CH2-CG 4.49Å; W205-Y258 AromaticContact CZ2-CD2 3.8Å; W205-Y258 HydrophobicContact CZ2-CD2 3.8Å; W205-Y258 HydrophobicContact CZ2-CE2 4.49Å; W205-Y258 VanDerWaalsContact CZ3-CA 3.45Å; W205-Y258 HydrophobicContact CZ3-CD2 4.08Å; W205-Y258 HydrophobicContact CZ3-CG 4.37Å; L208-Y258 HydrophobicContact CB-CD1 4.24Å; L208-Y258 HydrophobicContact CB-CD2 4.28Å; L208-Y258 HydrophobicContact CB-CE1 4.23Å; L208-Y258 HydrophobicContact CB-CE2 4.24Å; L208-Y258 HydrophobicContact CB-CG 4.28Å; L208-Y258 HydrophobicContact CD1-CD1 4.24Å; L208-Y258 HydrophobicContact CD1-CD2 4.42Å; L208-Y258 HydrophobicContact CD1-CG 3.94Å; K209-Y258 WeakPolarHBondContact CA-OH 3.47Å; K209-Y258 HydrophobicContact CB-CE2 4.26Å; L212-Y258 HydrophobicContact CD1-CD1 4.11Å; L212-Y258 HydrophobicContact CD1-CE1 3.55Å; L254-Y258 WeakPolarHBondContact O-CB 3.48Å; L254-Y258 PolarHBondContact O-N 3.38Å; V255-Y258 WeakPolarHBondContact O-CB 3.31Å; V255-Y258 PolarHBondContact O-N 3.14Å; V256-Y258 VanDerWaalsContact C-N 3.28Å; V256-Y258 PolarHBondContact O-N 3.2Å; Y258-H260 VanDerWaalsContact C-N 3.31Å; Y258-H260 PolarHBondContact O-N 3.22Å; Y258-S261 PolarHBondContact O-N 2.95Å; Y258-S261 PolarHBondContact O-OG 3.38Å; Y258-V262 HydrophobicContact CD1-CG2 4.34Å; Y258-V262 HydrophobicContact CE1-CG1 4.19Å; Y258-V262 HydrophobicContact CE1-CG2 4.01Å; Y258-V262 HydrophobicContact CE2-CG1 4.24Å; Y258-V262 WeakPolarHBondContact O-CG2 3.36Å; Y258-V262 PolarHBondContact O-N 2.97Å; Y258-V262 VanDerWaalsContact O-N 3.14Å; Y258-P266 HydrophobicContact CE1-CG 4.49Å
259	L	95.6	Very high	94.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-38.7	-179.1	-68.5	170.2	0	0	0	112.6	V255 V256 K263 F264 L293	V255-L259 HydrophobicContact CG1-CD1 4.28Å; V255-L259 WeakPolarHBondContact O-CG 3.41Å; V255-L259 PolarHBondContact O-N 2.67Å; V256-L259 PolarHBondContact O-N 3.42Å; V256-L259 VanDerWaalsContact O-N 3.12Å; L259-K263 PolarHBondContact O-N 3Å; L259-K263 VanDerWaalsContact O-N 3.13Å; L259-F264 HydrophobicContact CB-CD1 4.03Å; L259-F264 HydrophobicContact CB-CE1 4.02Å; L259-F264 PolarHBondContact O-N 3.44Å; L259-L293 HydrophobicContact CD1-CB 4.46Å; L259-L293 HydrophobicContact CD1-CD2 3.71Å; L259-L293 HydrophobicContact CD2-CD2 4.17Å; L259-L293 HydrophobicContact CG-CD2 4.4Å
260	H	95.4	Very high	94.6	Very high	93 Å²	93	40.3 Å²	40.3	43%	0.431	21%	0.209	S	C	.	.	H	α-helix	trans	-66.3	-42.8	175.8	-82.5	-86.7	0	0	0	111.8	V256 C257 Y258 V262 K263 F264 D297	V256-H260 PolarHBondContact O-CD2 2.66Å; V256-H260 VanDerWaalsContact O-CD2 3.24Å; V256-H260 PolarHBondContact O-N 3.23Å; C257-H260 PolarHBondContact O-N 2.8Å; Y258-H260 VanDerWaalsContact C-N 3.31Å; Y258-H260 PolarHBondContact O-N 3.22Å; H260-V262 VanDerWaalsContact C-N 3.29Å; H260-V262 PolarHBondContact O-N 3Å; H260-K263 PolarHBondContact O-N 2.9Å; H260-K263 VanDerWaalsContact O-N 3.11Å; H260-F264 AromaticContact CE1-CZ 3.62Å; H260-F264 AromaticContact ND1-CZ 3.79Å; H260-F264 AromaticContact NE2-CZ 3.78Å; H260-D297 IonicContact CD2-OD2 3.14Å; H260-D297 IonicContact CE1-OD2 2.75Å; H260-D297 IonicContact NE2-OD2 2.71Å; H260-D297 PolarHBondContact NE2-OD2 2.81Å
261	S	94.2	Very high	94.8	Very high	41 Å²	41	40.2 Å²	40.2	29%	0.287	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-35.5	179.8	74.6	0	0	0	0	112.4	E196 W205 C257 Y258	E196-S261 VanDerWaalsContact OE1-CB 3.24Å; E196-S261 WeakPolarHBondContact OE1-CB 3.4Å; W205-S261 WeakPolarHBondContact CH2-OG 3.45Å; C257-S261 PolarHBondContact O-N 3.18Å; Y258-S261 PolarHBondContact O-N 2.95Å; Y258-S261 PolarHBondContact O-OG 3.38Å
262	V	94.4	Very high	94.8	Very high	38 Å²	38	40 Å²	40	23%	0.23	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	10.5	176.1	-53.8	0	0	0	0	114	Y258 H260 F264 L265 P266	Y258-V262 HydrophobicContact CD1-CG2 4.34Å; Y258-V262 HydrophobicContact CE1-CG1 4.19Å; Y258-V262 HydrophobicContact CE1-CG2 4.01Å; Y258-V262 HydrophobicContact CE2-CG1 4.24Å; Y258-V262 WeakPolarHBondContact O-CG2 3.36Å; Y258-V262 PolarHBondContact O-N 2.97Å; Y258-V262 VanDerWaalsContact O-N 3.14Å; H260-V262 VanDerWaalsContact C-N 3.29Å; H260-V262 PolarHBondContact O-N 3Å; V262-F264 PolarHBondContact O-N 3.27Å; V262-F264 VanDerWaalsContact O-N 3.16Å; V262-L265 WeakPolarHBondContact O-CG 3.11Å; V262-L265 PolarHBondContact O-N 3.41Å; V262-P266 VanDerWaalsContact CG2-CD 3.41Å; V262-P266 HydrophobicContact CG2-CG 3.8Å
263	K	95	Very high	94.8	Very high	169 Å²	169	37.4 Å²	37.4	74%	0.735	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.6	177.9	-56.2	-179.6	-178	177	0	114	L259 H260 L265	L259-K263 PolarHBondContact O-N 3Å; L259-K263 VanDerWaalsContact O-N 3.13Å; H260-K263 PolarHBondContact O-N 2.9Å; H260-K263 VanDerWaalsContact O-N 3.11Å; K263-L265 PolarHBondContact O-N 2.94Å; K263-L265 VanDerWaalsContact O-N 3.1Å
264	F	95.4	Very high	94.9	Very high	30 Å²	30	31.6 Å²	31.6	13%	0.132	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	15.8	178.4	-47.9	-84.8	0	0	0	115.4	L259 H260 V262 L267 L268 A299 V303	L259-F264 HydrophobicContact CB-CD1 4.03Å; L259-F264 HydrophobicContact CB-CE1 4.02Å; L259-F264 PolarHBondContact O-N 3.44Å; H260-F264 AromaticContact CE1-CZ 3.62Å; H260-F264 AromaticContact ND1-CZ 3.79Å; H260-F264 AromaticContact NE2-CZ 3.78Å; V262-F264 PolarHBondContact O-N 3.27Å; V262-F264 VanDerWaalsContact O-N 3.16Å; F264-L267 HydrophobicContact CB-CB 4.35Å; F264-L267 HydrophobicContact CB-CD2 4.46Å; F264-L267 HydrophobicContact CD1-CD2 4.42Å; F264-L267 WeakPolarHBondContact O-CB 3.35Å; F264-L267 PolarHBondContact O-N 3.18Å; F264-L267 VanDerWaalsContact O-N 3.12Å; F264-L268 PolarHBondContact O-N 3.35Å; F264-L268 VanDerWaalsContact O-N 3.11Å; F264-A299 HydrophobicContact CE1-CB 3.9Å; F264-A299 HydrophobicContact CE2-CB 4.33Å; F264-A299 HydrophobicContact CZ-CB 3.51Å; F264-V303 HydrophobicContact CB-CG2 4.26Å; F264-V303 HydrophobicContact CD2-CG2 4.29Å; F264-V303 HydrophobicContact CG-CG2 4.14Å
265	L	95	Very high	94.8	Very high	90 Å²	90	35.3 Å²	35.3	47%	0.471	18%	0.182	S	C	.	.	H	α-helix	trans	-56	-41.2	177.3	-72.5	172.1	0	0	0	113.3	V262 K263 L267 L268 S269	V262-L265 WeakPolarHBondContact O-CG 3.11Å; V262-L265 PolarHBondContact O-N 3.41Å; K263-L265 PolarHBondContact O-N 2.94Å; K263-L265 VanDerWaalsContact O-N 3.1Å; L265-L267 PolarHBondContact O-N 3.16Å; L265-L268 PolarHBondContact O-N 3.1Å; L265-S269 PolarHBondContact O-N 3.25Å; L265-S269 PolarHBondContact O-OG 3.44Å
266	P	94.8	Very high	94.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-37.1	175.6	-26.1	37.4	0	0	0	113.9	L212 Y258 V262 S269 L270	L212-P266 HydrophobicContact CB-CB 3.87Å; L212-P266 HydrophobicContact CB-CG 4.25Å; L212-P266 HydrophobicContact CD1-CB 4.06Å; L212-P266 HydrophobicContact CD1-CG 4.41Å; L212-P266 HydrophobicContact CD2-CB 3.98Å; L212-P266 HydrophobicContact CG-CB 4.19Å; Y258-P266 HydrophobicContact CE1-CG 4.49Å; V262-P266 VanDerWaalsContact CG2-CD 3.41Å; V262-P266 HydrophobicContact CG2-CG 3.8Å; P266-S269 WeakPolarHBondContact O-CB 3.47Å; P266-S269 PolarHBondContact O-N 3.18Å; P266-L270 WeakPolarHBondContact O-CG 3.23Å; P266-L270 PolarHBondContact O-N 3.39Å
267	L	96.6	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-47.8	175.9	174.9	65.9	0	0	0	110.4	F264 L265 S269 L270 V271 V290 L293 C300 V303	F264-L267 HydrophobicContact CB-CB 4.35Å; F264-L267 HydrophobicContact CB-CD2 4.46Å; F264-L267 HydrophobicContact CD1-CD2 4.42Å; F264-L267 WeakPolarHBondContact O-CB 3.35Å; F264-L267 PolarHBondContact O-N 3.18Å; F264-L267 VanDerWaalsContact O-N 3.12Å; L265-L267 PolarHBondContact O-N 3.16Å; L267-S269 PolarHBondContact O-N 3.41Å; L267-L270 PolarHBondContact O-N 3.29Å; L267-V271 VanDerWaalsContact O-CG2 3.32Å; L267-V271 WeakPolarHBondContact O-CG2 3.28Å; L267-V271 PolarHBondContact O-N 3.1Å; L267-V290 HydrophobicContact CD1-CB 4.47Å; L267-V290 HydrophobicContact CD1-CG1 3.88Å; L267-V290 HydrophobicContact CD1-CG2 4.38Å; L267-L293 HydrophobicContact CD1-CB 4.28Å; L267-L293 HydrophobicContact CD1-CD1 3.84Å; L267-C300 HydrophobicContact CD2-CB 3.69Å; L267-V303 HydrophobicContact CD2-CB 3.93Å; L267-V303 HydrophobicContact CD2-CG1 3.83Å; L267-V303 HydrophobicContact CG-CG1 4.42Å
268	L	95.6	Very high	93.8	Very high	80 Å²	80	45.2 Å²	45.2	42%	0.419	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-35.5	175.8	-71.8	171.2	0	0	0	112.1	F264 L265 V271 G272 V303	F264-L268 PolarHBondContact O-N 3.35Å; F264-L268 VanDerWaalsContact O-N 3.11Å; L265-L268 PolarHBondContact O-N 3.1Å; L268-V271 PolarHBondContact O-N 3.42Å; L268-G272 PolarHBondContact O-N 2.96Å; L268-V303 HydrophobicContact CD2-CG1 3.64Å; L268-V303 HydrophobicContact CG-CG1 4Å
269	S	94.2	Very high	93.5	Very high	16 Å²	16	47.3 Å²	47.3	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-45.2	176.4	-59	0	0	0	0	111.9	L265 P266 L267 V271 G272 L273	L265-S269 PolarHBondContact O-N 3.25Å; L265-S269 PolarHBondContact O-OG 3.44Å; P266-S269 WeakPolarHBondContact O-CB 3.47Å; P266-S269 PolarHBondContact O-N 3.18Å; L267-S269 PolarHBondContact O-N 3.41Å; S269-V271 VanDerWaalsContact C-N 3.34Å; S269-V271 PolarHBondContact O-N 3.1Å; S269-G272 PolarHBondContact O-N 3.34Å; S269-L273 WeakPolarHBondContact O-CG 3.45Å; S269-L273 PolarHBondContact O-N 3.18Å
270	L	95.9	Very high	93.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-41.7	174.7	-65.9	174.3	0	0	0	112	L212 F215 L243 P266 L267 G272 L273 Y274 L286 V290 L293	L212-L270 HydrophobicContact CD2-CD1 4.1Å; F215-L270 HydrophobicContact CB-CD2 3.84Å; F215-L270 HydrophobicContact CD2-CD2 4.13Å; F215-L270 HydrophobicContact CG-CD2 3.92Å; L243-L270 HydrophobicContact CD2-CD1 4.39Å; L243-L270 HydrophobicContact CD2-CD2 4.21Å; P266-L270 WeakPolarHBondContact O-CG 3.23Å; P266-L270 PolarHBondContact O-N 3.39Å; L267-L270 PolarHBondContact O-N 3.29Å; L270-G272 VanDerWaalsContact C-N 3.34Å; L270-L273 PolarHBondContact O-N 3.21Å; L270-Y274 PolarHBondContact O-N 2.82Å; L270-L286 HydrophobicContact CD2-CD2 3.77Å; L270-V290 HydrophobicContact CB-CG2 3.8Å; L270-V290 HydrophobicContact CD1-CG2 4.42Å; L270-L293 HydrophobicContact CD1-CD1 3.98Å
271	V	95.6	Very high	93	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-43	174.6	169.7	0	0	0	0	111.2	L267 L268 S269 Y274 Q275 V290 L309	L267-V271 VanDerWaalsContact O-CG2 3.32Å; L267-V271 WeakPolarHBondContact O-CG2 3.28Å; L267-V271 PolarHBondContact O-N 3.1Å; L268-V271 PolarHBondContact O-N 3.42Å; S269-V271 VanDerWaalsContact C-N 3.34Å; S269-V271 PolarHBondContact O-N 3.1Å; V271-Y274 WeakPolarHBondContact O-CB 3.4Å; V271-Y274 PolarHBondContact O-N 3.26Å; V271-Q275 WeakPolarHBondContact O-CG 3.36Å; V271-Q275 PolarHBondContact O-N 3.5Å; V271-V290 HydrophobicContact CG2-CG1 4.31Å; V271-V290 HydrophobicContact CG2-CG2 4.38Å; V271-L309 HydrophobicContact CG1-CB 3.93Å; V271-L309 HydrophobicContact CG2-CD2 4.1Å
272	G	92.9	Very high	93	Very high	7 Å²	7	48.8 Å²	48.8	7%	0.072	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-38.8	177.1	0	0	0	0	0	113	Q219 L268 S269 L270 Q275 R276	Q219-G272 VanDerWaalsContact CD-C 3.5Å; Q219-G272 VanDerWaalsContact NE2-CA 3.26Å; Q219-G272 PolarHBondContact NE2-O 2.88Å; L268-G272 PolarHBondContact O-N 2.96Å; S269-G272 PolarHBondContact O-N 3.34Å; L270-G272 VanDerWaalsContact C-N 3.34Å; G272-Q275 PolarHBondContact O-N 2.94Å; G272-R276 PolarHBondContact O-N 3Å
273	L	92.6	Very high	92.9	Very high	11 Å²	11	48 Å²	48	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-41.7	174.1	-74.9	168.9	0	0	0	111.2	F215 R218 Q219 S269 L270 Q275 R276 E277 L286	F215-L273 HydrophobicContact CB-CD1 3.75Å; F215-L273 HydrophobicContact CD1-CD1 3.82Å; F215-L273 HydrophobicContact CG-CD1 4.21Å; F215-L273 WeakPolarHBondContact O-CD1 3.46Å; R218-L273 HydrophobicContact CB-CD2 4.45Å; R218-L273 HydrophobicContact CG-CD2 4.1Å; Q219-L273 HydrophobicContact CB-CD1 4.48Å; Q219-L273 HydrophobicContact CB-CD2 4.12Å; Q219-L273 HydrophobicContact CB-CG 3.96Å; Q219-L273 HydrophobicContact CG-CG 4.43Å; Q219-L273 VanDerWaalsContact OE1-CG 3.31Å; S269-L273 WeakPolarHBondContact O-CG 3.45Å; S269-L273 PolarHBondContact O-N 3.18Å; L270-L273 PolarHBondContact O-N 3.21Å; L273-Q275 PolarHBondContact O-N 3.47Å; L273-R276 PolarHBondContact O-N 2.9Å; L273-R276 VanDerWaalsContact O-N 3.12Å; L273-E277 WeakPolarHBondContact O-CB 3.23Å; L273-E277 PolarHBondContact O-N 3.24Å; L273-L286 HydrophobicContact CB-CD1 4.06Å; L273-L286 HydrophobicContact CB-CD2 4.23Å; L273-L286 HydrophobicContact CD1-CD2 4.39Å
274	Y	94.4	Very high	92.9	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-57.2	-36.1	177.6	-176.5	-88.2	0	0	0	112.7	L270 V271 R283 L286 L287 L309 E312 L313 E316	L270-Y274 PolarHBondContact O-N 2.82Å; V271-Y274 WeakPolarHBondContact O-CB 3.4Å; V271-Y274 PolarHBondContact O-N 3.26Å; Y274-R283 HydrophobicContact CD2-CB 4Å; Y274-R283 HydrophobicContact CD2-CG 4.35Å; Y274-R283 WeakPolarHBondContact CD2-O 3.4Å; Y274-R283 HydrophobicContact CE2-CB 3.6Å; Y274-R283 HydrophobicContact CE2-CG 4.19Å; Y274-R283 WeakPolarHBondContact CE2-O 3.28Å; Y274-R283 PolarHBondContact O-NE 3.23Å; Y274-L286 HydrophobicContact CD2-CB 4.26Å; Y274-L287 HydrophobicContact CD2-CB 4.19Å; Y274-L287 HydrophobicContact CE2-CB 3.83Å; Y274-L287 HydrophobicContact CE2-CD1 4.29Å; Y274-L287 HydrophobicContact CE2-CD2 4.22Å; Y274-L287 HydrophobicContact CE2-CG 4.36Å; Y274-L309 HydrophobicContact CD1-CD1 3.32Å; Y274-L309 HydrophobicContact CE1-CD1 3.63Å; Y274-L309 HydrophobicContact CG-CD1 3.95Å; Y274-E312 HydrophobicContact CE1-CG 4.39Å; Y274-L313 HydrophobicContact CE1-CD2 3.88Å; Y274-L313 HydrophobicContact CE1-CG 4.44Å; Y274-L313 WeakPolarHBondContact OH-CD2 3.24Å; Y274-E316 PolarHBondContact OH-OE2 3.12Å
275	Q	90.6	Very high	92.9	Very high	82 Å²	82	42.1 Å²	42.1	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-70.8	-33.1	179.3	-66.9	164.7	24.2	0	0	112.9	V271 G272 L273 V308	V271-Q275 WeakPolarHBondContact O-CG 3.36Å; V271-Q275 PolarHBondContact O-N 3.5Å; G272-Q275 PolarHBondContact O-N 2.94Å; L273-Q275 PolarHBondContact O-N 3.47Å; Q275-V308 HydrophobicContact CG-CG1 3.73Å
276	R	87.8	Confident	93	Very high	118 Å²	118	38 Å²	38	45%	0.445	19%	0.187	S	C	.	.	H	α-helix	trans	-86.8	-28.2	-177.5	-65.2	176.3	177.1	-152.4	-5.1	112.2	D222 G272 L273	D222-R276 IonicContact OD1-CZ 3.43Å; D222-R276 IonicContact OD1-NH1 3.59Å; D222-R276 PolarHBondContact OD1-NH1 3.3Å; D222-R276 IonicContact OD1-NH2 2.82Å; D222-R276 PolarHBondContact OD1-NH2 2.98Å; G272-R276 PolarHBondContact O-N 3Å; L273-R276 PolarHBondContact O-N 2.9Å; L273-R276 VanDerWaalsContact O-N 3.12Å
277	E	89.5	Confident	93.1	Very high	36 Å²	36	38 Å²	38	17%	0.168	19%	0.188	C	C	.	.			trans	-72.9	138.9	-177.6	-176.7	55.5	-103.2	0	0	112	L273 M279 I282 R283 L286	L273-E277 WeakPolarHBondContact O-CB 3.23Å; L273-E277 PolarHBondContact O-N 3.24Å; E277-M279 WeakPolarHBondContact OE1-CB 3.38Å; E277-M279 PolarHBondContact OE1-N 3.19Å; E277-I282 HydrophobicContact CG-CB 3.74Å; E277-I282 HydrophobicContact CG-CG2 3.69Å; E277-I282 WeakPolarHBondContact OE2-CD1 3.4Å; E277-R283 HydrophobicContact CB-CG 3.96Å; E277-R283 HydrophobicContact CG-CG 3.73Å; E277-R283 VanDerWaalsContact O-CD 3.32Å; E277-R283 WeakPolarHBondContact O-CD 3.5Å; E277-L286 HydrophobicContact CB-CD1 4.39Å
278	T	87.7	Confident	93	Very high	117 Å²	117	38.6 Å²	38.6	72%	0.718	19%	0.19	S	C	*	.			trans	-108.4	-23.1	-179.3	59.4	0	0	0	0	112.4	N280	T278-N280 PolarHBondContact O-N 3Å
279	M	89.4	Confident	93.1	Very high	57 Å²	57	34.8 Å²	34.8	28%	0.281	17%	0.17	S	C	.	.			trans	-80.3	115.4	-177.7	-67.7	-172	60.1	0	0	111.7	R233 E277 K281 I282 R283	R233-M279 VanDerWaalsContact CD-SD 3.51Å; R233-M279 HydrophobicContact CG-SD 3.95Å; E277-M279 WeakPolarHBondContact OE1-CB 3.38Å; E277-M279 PolarHBondContact OE1-N 3.19Å; M279-K281 PolarHBondContact O-N 3.27Å; M279-K281 VanDerWaalsContact O-N 3.09Å; M279-I282 HydrophobicContact CB-CB 4.41Å; M279-I282 HydrophobicContact CB-CD1 4.25Å; M279-I282 HydrophobicContact CB-CG1 4.28Å; M279-I282 PolarHBondContact O-N 3.25Å; M279-I282 HydrophobicContact SD-CD1 4.17Å; M279-R283 WeakPolarHBondContact O-CG 3.36Å; M279-R283 PolarHBondContact O-N 3.43Å
280	N	90.4	Very high	93.2	Very high	36 Å²	36	34 Å²	34	19%	0.193	17%	0.165	C	C	.	.	H	α-helix	trans	-52	-36.3	178.7	-73.9	-30.3	0	0	0	113.6	T278 I282 S284 E324 Y327 R331	T278-N280 PolarHBondContact O-N 3Å; N280-I282 PolarHBondContact O-N 3.1Å; N280-S284 VanDerWaalsContact O-CB 3.23Å; N280-S284 WeakPolarHBondContact O-CB 3.41Å; N280-S284 PolarHBondContact O-N 2.85Å; N280-S284 PolarHBondContact O-OG 2.77Å; N280-E324 PolarHBondContact ND2-OE1 2.91Å; N280-E324 PolarHBondContact ND2-OE2 2.9Å; N280-Y327 HydrophobicContact CB-CD1 4.21Å; N280-Y327 HydrophobicContact CB-CD2 3.75Å; N280-Y327 HydrophobicContact CB-CE1 4.16Å; N280-Y327 HydrophobicContact CB-CE2 3.68Å; N280-Y327 HydrophobicContact CB-CG 4.02Å; N280-R331 PolarHBondContact OD1-NH2 3.45Å
281	K	91.6	Very high	93.3	Very high	127 Å²	127	34 Å²	34	55%	0.552	17%	0.165	S	C	*	.	H	α-helix	trans	-62.9	-38.6	176.7	-71.9	-176	178.9	-175	0	113.5	I237 M279 S284 K285 Y327	I237-K281 HydrophobicContact CD1-CB 4.47Å; M279-K281 PolarHBondContact O-N 3.27Å; M279-K281 VanDerWaalsContact O-N 3.09Å; K281-S284 PolarHBondContact O-OG 3.48Å; K281-K285 WeakPolarHBondContact O-CG 3.23Å; K281-K285 PolarHBondContact O-N 3.13Å; K281-Y327 WeakPolarHBondContact CG-OH 3.28Å
282	I	93	Very high	93.3	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-79.4	-45.4	178.9	-62.1	176.3	0	0	0	108.9	I236 I237 L240 E277 M279 N280 S284 K285 L286	I236-I282 HydrophobicContact CG2-CD1 4.18Å; I236-I282 HydrophobicContact CG2-CG1 4.43Å; I236-I282 HydrophobicContact CG2-CG2 3.87Å; I237-I282 HydrophobicContact CD1-CG1 4.33Å; I237-I282 HydrophobicContact CG1-CG1 3.88Å; L240-I282 HydrophobicContact CD1-CG2 3.71Å; E277-I282 HydrophobicContact CG-CB 3.74Å; E277-I282 HydrophobicContact CG-CG2 3.69Å; E277-I282 WeakPolarHBondContact OE2-CD1 3.4Å; M279-I282 HydrophobicContact CB-CB 4.41Å; M279-I282 HydrophobicContact CB-CD1 4.25Å; M279-I282 HydrophobicContact CB-CG1 4.28Å; M279-I282 PolarHBondContact O-N 3.25Å; M279-I282 HydrophobicContact SD-CD1 4.17Å; N280-I282 PolarHBondContact O-N 3.1Å; I282-S284 VanDerWaalsContact C-N 3.26Å; I282-S284 PolarHBondContact O-N 3.36Å; I282-K285 PolarHBondContact O-N 3.5Å; I282-K285 VanDerWaalsContact O-N 3.08Å; I282-L286 HydrophobicContact CG2-CD1 3.98Å; I282-L286 HydrophobicContact CG2-CG 4.38Å; I282-L286 PolarHBondContact O-N 3Å
283	R	94	Very high	93.4	Very high	20 Å²	20	33.6 Å²	33.6	8%	0.075	16%	0.16	C	C	.	.	H	α-helix	trans	-53	-43.6	173.9	-68.6	-172.3	82.3	158.8	5.7	112	Y274 E277 M279 K285 L286 L287 E312 E316	Y274-R283 HydrophobicContact CD2-CB 4Å; Y274-R283 HydrophobicContact CD2-CG 4.35Å; Y274-R283 WeakPolarHBondContact CD2-O 3.4Å; Y274-R283 HydrophobicContact CE2-CB 3.6Å; Y274-R283 HydrophobicContact CE2-CG 4.19Å; Y274-R283 WeakPolarHBondContact CE2-O 3.28Å; Y274-R283 PolarHBondContact O-NE 3.23Å; E277-R283 HydrophobicContact CB-CG 3.96Å; E277-R283 HydrophobicContact CG-CG 3.73Å; E277-R283 VanDerWaalsContact O-CD 3.32Å; E277-R283 WeakPolarHBondContact O-CD 3.5Å; M279-R283 WeakPolarHBondContact O-CG 3.36Å; M279-R283 PolarHBondContact O-N 3.43Å; R283-K285 VanDerWaalsContact C-N 3.35Å; R283-K285 PolarHBondContact O-N 2.87Å; R283-L286 PolarHBondContact O-N 2.96Å; R283-L287 VanDerWaalsContact O-CB 3.27Å; R283-L287 WeakPolarHBondContact O-CB 3.49Å; R283-L287 PolarHBondContact O-N 3.04Å; R283-E312 IonicContact CZ-OE1 2.99Å; R283-E312 IonicContact NH1-OE1 3.8Å; R283-E312 IonicContact NH2-OE1 3.02Å; R283-E312 PolarHBondContact NH2-OE1 2.95Å; R283-E316 VanDerWaalsContact CZ-CD 3.47Å; R283-E316 IonicContact CZ-OE1 2.63Å; R283-E316 IonicContact CZ-OE2 2.85Å; R283-E316 IonicContact NE-OE1 3.35Å; R283-E316 PolarHBondContact NE-OE1 3.34Å; R283-E316 IonicContact NH1-OE1 2.78Å; R283-E316 PolarHBondContact NH1-OE1 3.29Å; R283-E316 IonicContact NH2-OE1 2.76Å; R283-E316 PolarHBondContact NH2-OE1 3.45Å; R283-E316 IonicContact NH2-OE2 3.37Å
284	S	94.4	Very high	93.6	Very high	20 Å²	20	33 Å²	33	14%	0.14	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-39.8	179.4	68.2	0	0	0	0	112.1	N280 K281 I282 R288 L330	N280-S284 VanDerWaalsContact O-CB 3.23Å; N280-S284 WeakPolarHBondContact O-CB 3.41Å; N280-S284 PolarHBondContact O-N 2.85Å; N280-S284 PolarHBondContact O-OG 2.77Å; K281-S284 PolarHBondContact O-OG 3.48Å; I282-S284 VanDerWaalsContact C-N 3.26Å; I282-S284 PolarHBondContact O-N 3.36Å; S284-R288 WeakPolarHBondContact O-CB 3.46Å; S284-R288 PolarHBondContact O-N 3.27Å; S284-L330 VanDerWaalsContact CA-CD2 3.44Å; S284-L330 VanDerWaalsContact CB-CD2 3.45Å; S284-L330 WeakPolarHBondContact O-CD2 3.33Å
285	K	95.1	Very high	93.6	Very high	56 Å²	56	33.9 Å²	33.9	24%	0.243	16%	0.164	C	C	.	.	H	α-helix	trans	-72.8	-37.7	178.5	-65.5	-69	178.7	172.8	0	112.4	L240 N241 N244 K281 I282 R283 R288 S289	L240-K285 HydrophobicContact CB-CB 3.85Å; L240-K285 HydrophobicContact CD1-CB 3.89Å; L240-K285 HydrophobicContact CG-CB 4.41Å; N241-K285 WeakPolarHBondContact OD1-CD 3.39Å; N241-K285 WeakPolarHBondContact OD1-CE 3.25Å; N241-K285 PolarHBondContact OD1-NZ 3.27Å; N244-K285 PolarHBondContact ND2-O 3.24Å; K281-K285 WeakPolarHBondContact O-CG 3.23Å; K281-K285 PolarHBondContact O-N 3.13Å; I282-K285 PolarHBondContact O-N 3.5Å; I282-K285 VanDerWaalsContact O-N 3.08Å; R283-K285 VanDerWaalsContact C-N 3.35Å; R283-K285 PolarHBondContact O-N 2.87Å; K285-R288 PolarHBondContact O-N 2.92Å; K285-S289 PolarHBondContact O-N 3.29Å; K285-S289 PolarHBondContact O-OG 2.96Å; K285-S289 VanDerWaalsContact O-OG 3.07Å
286	L	96.3	Very high	93.7	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-49.7	170.5	-75.1	167.5	0	0	0	111	L240 L270 L273 Y274 E277 I282 R283 R288 S289 V290	L240-L286 HydrophobicContact CD1-CD2 4.35Å; L240-L286 HydrophobicContact CD1-CG 4.04Å; L240-L286 HydrophobicContact CD2-CD2 3.66Å; L240-L286 HydrophobicContact CD2-CG 4.12Å; L270-L286 HydrophobicContact CD2-CD2 3.77Å; L273-L286 HydrophobicContact CB-CD1 4.06Å; L273-L286 HydrophobicContact CB-CD2 4.23Å; L273-L286 HydrophobicContact CD1-CD2 4.39Å; Y274-L286 HydrophobicContact CD2-CB 4.26Å; E277-L286 HydrophobicContact CB-CD1 4.39Å; I282-L286 HydrophobicContact CG2-CD1 3.98Å; I282-L286 HydrophobicContact CG2-CG 4.38Å; I282-L286 PolarHBondContact O-N 3Å; R283-L286 PolarHBondContact O-N 2.96Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.19Å; L286-S289 WeakPolarHBondContact O-CB 3.46Å; L286-S289 PolarHBondContact O-N 3.12Å; L286-S289 VanDerWaalsContact O-N 3.1Å; L286-V290 WeakPolarHBondContact O-CG2 3.48Å; L286-V290 PolarHBondContact O-N 3.26Å
287	L	96.8	Very high	94	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-34.5	-179.4	-167.5	61.6	0	0	0	111.8	Y274 R283 G291 L309 L313 L330 R331 F334	Y274-L287 HydrophobicContact CD2-CB 4.19Å; Y274-L287 HydrophobicContact CE2-CB 3.83Å; Y274-L287 HydrophobicContact CE2-CD1 4.29Å; Y274-L287 HydrophobicContact CE2-CD2 4.22Å; Y274-L287 HydrophobicContact CE2-CG 4.36Å; R283-L287 VanDerWaalsContact O-CB 3.27Å; R283-L287 WeakPolarHBondContact O-CB 3.49Å; R283-L287 PolarHBondContact O-N 3.04Å; L287-G291 PolarHBondContact O-N 3.25Å; L287-L309 HydrophobicContact CD1-CD1 4.47Å; L287-L309 HydrophobicContact CD1-CD2 4.31Å; L287-L313 HydrophobicContact CD1-CD1 4.27Å; L287-L313 HydrophobicContact CD1-CD2 4.36Å; L287-L313 HydrophobicContact CD2-CD2 3.92Å; L287-L330 HydrophobicContact CB-CD2 4.36Å; L287-L330 HydrophobicContact CD2-CD2 4.34Å; L287-L330 HydrophobicContact CD2-CG 4.1Å; L287-R331 HydrophobicContact CD2-CG 4.11Å; L287-F334 HydrophobicContact CD1-CB 4.16Å; L287-F334 HydrophobicContact CD1-CD1 3.66Å; L287-F334 HydrophobicContact CD1-CD2 3.79Å; L287-F334 HydrophobicContact CD1-CE1 3.89Å; L287-F334 HydrophobicContact CD1-CE2 4.08Å; L287-F334 HydrophobicContact CD1-CG 3.57Å; L287-F334 HydrophobicContact CD1-CZ 4.11Å; L287-F334 HydrophobicContact CD2-CB 4.17Å; L287-F334 HydrophobicContact CD2-CG 4.47Å; L287-F334 HydrophobicContact CG-CB 4.11Å; L287-F334 HydrophobicContact CG-CD2 4.21Å; L287-F334 HydrophobicContact CG-CG 4.01Å
288	R	95.7	Very high	94.1	Very high	11 Å²	11	28.1 Å²	28.1	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-47.8	170.9	-170.8	79.7	-151.5	-123.2	-2.3	111.2	E248 S284 K285 L286 V290 G291 I292 F477 T528 H529	E248-R288 IonicContact OE1-CZ 2.84Å; E248-R288 IonicContact OE1-NE 2.66Å; E248-R288 IonicContact OE1-NH2 3.07Å; E248-R288 PolarHBondContact OE1-NH2 3.41Å; S284-R288 WeakPolarHBondContact O-CB 3.46Å; S284-R288 PolarHBondContact O-N 3.27Å; K285-R288 PolarHBondContact O-N 2.92Å; L286-R288 VanDerWaalsContact C-N 3.28Å; L286-R288 PolarHBondContact O-N 3.19Å; R288-V290 PolarHBondContact O-N 3.45Å; R288-G291 PolarHBondContact O-N 3.45Å; R288-I292 HydrophobicContact CG-CD1 4.12Å; R288-I292 WeakPolarHBondContact O-CD1 3.28Å; R288-I292 VanDerWaalsContact O-CG1 3.3Å; R288-I292 WeakPolarHBondContact O-CG1 3.48Å; R288-I292 PolarHBondContact O-N 3.36Å; R288-F477 HydrophobicContact CG-CD1 4.46Å; R288-F477 PolarHBondContact NH2-O 2.97Å; R288-T528 PolarHBondContact NH1-O 2.84Å; R288-H529 PolarHBondContact NH1-ND1 3.34Å
289	S	96.6	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.2	-48.5	178	-55.7	0	0	0	0	111.1	N244 K285 L286 G291 I292 L293	N244-S289 WeakPolarHBondContact OD1-CA 3.42Å; N244-S289 WeakPolarHBondContact OD1-CB 3.49Å; N244-S289 PolarHBondContact OD1-N 2.84Å; N244-S289 PolarHBondContact OD1-OG 2.86Å; K285-S289 PolarHBondContact O-N 3.29Å; K285-S289 PolarHBondContact O-OG 2.96Å; K285-S289 VanDerWaalsContact O-OG 3.07Å; L286-S289 WeakPolarHBondContact O-CB 3.46Å; L286-S289 PolarHBondContact O-N 3.12Å; L286-S289 VanDerWaalsContact O-N 3.1Å; S289-G291 VanDerWaalsContact C-N 3.32Å; S289-G291 PolarHBondContact O-N 3.38Å; S289-I292 PolarHBondContact O-N 3.45Å; S289-L293 VanDerWaalsContact O-CG 3.31Å; S289-L293 WeakPolarHBondContact O-CG 3.45Å; S289-L293 PolarHBondContact O-N 2.59Å; S289-L293 VanDerWaalsContact O-N 3.09Å
290	V	97.5	Very high	94.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-42.9	176.2	178.9	0	0	0	0	110.7	L267 L270 V271 L286 R288 I292 L293 C294 L309 F334	L267-V290 HydrophobicContact CD1-CB 4.47Å; L267-V290 HydrophobicContact CD1-CG1 3.88Å; L267-V290 HydrophobicContact CD1-CG2 4.38Å; L270-V290 HydrophobicContact CB-CG2 3.8Å; L270-V290 HydrophobicContact CD1-CG2 4.42Å; V271-V290 HydrophobicContact CG2-CG1 4.31Å; V271-V290 HydrophobicContact CG2-CG2 4.38Å; L286-V290 WeakPolarHBondContact O-CG2 3.48Å; L286-V290 PolarHBondContact O-N 3.26Å; R288-V290 PolarHBondContact O-N 3.45Å; V290-I292 PolarHBondContact O-N 2.84Å; V290-L293 PolarHBondContact O-N 2.8Å; V290-C294 WeakPolarHBondContact O-CB 3.49Å; V290-C294 PolarHBondContact O-N 3.38Å; V290-C294 PolarHBondContact O-SG 2.88Å; V290-C294 VanDerWaalsContact O-SG 3.39Å; V290-L309 HydrophobicContact CG1-CD2 4.13Å; V290-F334 HydrophobicContact CB-CE2 4.21Å; V290-F334 HydrophobicContact CG1-CE2 3.65Å; V290-F334 HydrophobicContact CG1-CZ 3.64Å
291	G	96.4	Very high	95	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-42.5	176.7	0	0	0	0	0	113.3	L287 R288 S289 C294 S295 F477	L287-G291 PolarHBondContact O-N 3.25Å; R288-G291 PolarHBondContact O-N 3.45Å; S289-G291 VanDerWaalsContact C-N 3.32Å; S289-G291 PolarHBondContact O-N 3.38Å; G291-C294 PolarHBondContact O-N 2.98Å; G291-S295 WeakPolarHBondContact O-CB 3.22Å; G291-S295 PolarHBondContact O-N 3.25Å; G291-S295 PolarHBondContact O-OG 3.42Å; G291-F477 WeakPolarHBondContact O-CB 3.39Å
292	I	95.6	Very high	95.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-49.5	175.1	-64.9	155.7	0	0	0	109.7	N244 L247 E248 R288 S289 V290 C294 S295 L296 F477 L478	N244-I292 HydrophobicContact CB-CD1 4.37Å; L247-I292 HydrophobicContact CB-CB 4.44Å; L247-I292 HydrophobicContact CB-CD1 4.35Å; L247-I292 HydrophobicContact CB-CG2 3.74Å; E248-I292 HydrophobicContact CG-CD1 3.61Å; E248-I292 HydrophobicContact CG-CG1 4.17Å; R288-I292 HydrophobicContact CG-CD1 4.12Å; R288-I292 WeakPolarHBondContact O-CD1 3.28Å; R288-I292 VanDerWaalsContact O-CG1 3.3Å; R288-I292 WeakPolarHBondContact O-CG1 3.48Å; R288-I292 PolarHBondContact O-N 3.36Å; S289-I292 PolarHBondContact O-N 3.45Å; V290-I292 PolarHBondContact O-N 2.84Å; I292-C294 VanDerWaalsContact C-N 3.34Å; I292-C294 PolarHBondContact O-N 3.5Å; I292-S295 WeakPolarHBondContact O-CA 3.35Å; I292-S295 WeakPolarHBondContact O-CB 3.2Å; I292-S295 PolarHBondContact O-N 3.47Å; I292-L296 HydrophobicContact CG2-CD1 4.19Å; I292-L296 WeakPolarHBondContact O-CG 3.21Å; I292-L296 PolarHBondContact O-N 3.41Å; I292-L296 VanDerWaalsContact O-N 3.09Å; I292-F477 HydrophobicContact CG1-CB 4.01Å; I292-L478 HydrophobicContact CG2-CD2 4.07Å
293	L	96.9	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-42.4	177.9	-61.1	172.6	0	0	0	112.3	L247 V255 L259 L267 L270 S289 V290 S295 L296 D297	L247-L293 HydrophobicContact CD1-CD2 4Å; L247-L293 HydrophobicContact CD1-CG 4.11Å; L247-L293 HydrophobicContact CD2-CD2 3.68Å; L247-L293 HydrophobicContact CG-CD2 4.45Å; V255-L293 HydrophobicContact CG1-CD2 4.06Å; L259-L293 HydrophobicContact CD1-CB 4.46Å; L259-L293 HydrophobicContact CD1-CD2 3.71Å; L259-L293 HydrophobicContact CD2-CD2 4.17Å; L259-L293 HydrophobicContact CG-CD2 4.4Å; L267-L293 HydrophobicContact CD1-CB 4.28Å; L267-L293 HydrophobicContact CD1-CD1 3.84Å; L270-L293 HydrophobicContact CD1-CD1 3.98Å; S289-L293 VanDerWaalsContact O-CG 3.31Å; S289-L293 WeakPolarHBondContact O-CG 3.45Å; S289-L293 PolarHBondContact O-N 2.59Å; S289-L293 VanDerWaalsContact O-N 3.09Å; V290-L293 PolarHBondContact O-N 2.8Å; L293-S295 VanDerWaalsContact C-N 3.26Å; L293-S295 PolarHBondContact O-N 3.48Å; L293-L296 PolarHBondContact O-N 3.25Å; L293-D297 PolarHBondContact O-N 2.94Å
294	C	96.1	Very high	95.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-32	173.6	-75.6	0	0	0	0	113.2	V290 G291 I292 L296 I301 L337	V290-C294 WeakPolarHBondContact O-CB 3.49Å; V290-C294 PolarHBondContact O-N 3.38Å; V290-C294 PolarHBondContact O-SG 2.88Å; V290-C294 VanDerWaalsContact O-SG 3.39Å; G291-C294 PolarHBondContact O-N 2.98Å; I292-C294 VanDerWaalsContact C-N 3.34Å; I292-C294 PolarHBondContact O-N 3.5Å; C294-L296 VanDerWaalsContact C-N 3.34Å; C294-I301 HydrophobicContact CB-CG1 3.83Å; C294-I301 WeakPolarHBondContact O-CD1 3.22Å; C294-I301 WeakPolarHBondContact O-CG1 3.5Å; C294-L337 HydrophobicContact CB-CD2 3.68Å
295	S	94.1	Very high	95.4	Very high	21 Å²	21	20.5 Å²	20.5	15%	0.147	10%	0.103	C	C	.	.	H	α-helix	trans	-79.2	-19.1	178.3	-55.9	0	0	0	0	113.1	G291 I292 L293 T476 F477	G291-S295 WeakPolarHBondContact O-CB 3.22Å; G291-S295 PolarHBondContact O-N 3.25Å; G291-S295 PolarHBondContact O-OG 3.42Å; I292-S295 WeakPolarHBondContact O-CA 3.35Å; I292-S295 WeakPolarHBondContact O-CB 3.2Å; I292-S295 PolarHBondContact O-N 3.47Å; L293-S295 VanDerWaalsContact C-N 3.26Å; L293-S295 PolarHBondContact O-N 3.48Å; S295-T476 WeakPolarHBondContact CB-OG1 3.48Å; S295-T476 PolarHBondContact OG-OG1 2.7Å; S295-F477 PolarHBondContact OG-N 2.9Å
296	L	93	Very high	95.4	Very high	30 Å²	30	21.3 Å²	21.3	16%	0.157	13%	0.127	C	C	.	.	H	α-helix	trans	-83.7	-37.9	177.3	-69.7	170.8	0	0	0	112.6	P252 V255 V256 I292 L293 C294 L478	P252-L296 HydrophobicContact CB-CD2 3.64Å; P252-L296 HydrophobicContact CG-CD2 4.17Å; V255-L296 HydrophobicContact CB-CD1 4Å; V255-L296 HydrophobicContact CG1-CD1 3.6Å; V256-L296 HydrophobicContact CG2-CB 3.96Å; I292-L296 HydrophobicContact CG2-CD1 4.19Å; I292-L296 WeakPolarHBondContact O-CG 3.21Å; I292-L296 PolarHBondContact O-N 3.41Å; I292-L296 VanDerWaalsContact O-N 3.09Å; L293-L296 PolarHBondContact O-N 3.25Å; C294-L296 VanDerWaalsContact C-N 3.34Å; L296-L478 HydrophobicContact CD2-CD1 4.2Å; L296-L478 HydrophobicContact CD2-CD2 3.61Å; L296-L478 HydrophobicContact CG-CD2 3.96Å
297	D	92.9	Very high	95.3	Very high	25 Å²	25	22.5 Å²	22.5	13%	0.134	14%	0.135	C	C	.	.			trans	-145.2	128.3	-179	-175	2.1	0	0	0	112.9	V256 H260 L293 A299 C300	V256-D297 HydrophobicContact CG1-CB 4.18Å; V256-D297 HydrophobicContact CG2-CB 3.93Å; H260-D297 IonicContact CD2-OD2 3.14Å; H260-D297 IonicContact CE1-OD2 2.75Å; H260-D297 IonicContact NE2-OD2 2.71Å; H260-D297 PolarHBondContact NE2-OD2 2.81Å; L293-D297 PolarHBondContact O-N 2.94Å; D297-A299 PolarHBondContact O-N 3.03Å; D297-A299 VanDerWaalsContact O-N 3.08Å; D297-A299 PolarHBondContact OD1-N 2.95Å; D297-A299 WeakPolarHBondContact OD2-CB 3.3Å; D297-C300 VanDerWaalsContact O-CB 3.3Å; D297-C300 WeakPolarHBondContact O-CB 3.27Å; D297-C300 PolarHBondContact O-N 3.49Å
298	S	92.4	Very high	95.1	Very high	61 Å²	61	25.8 Å²	25.8	43%	0.427	16%	0.155	S	C	.	.	H	α-helix	trans	-52.7	-26.3	171	72.4	0	0	0	0	114.1	C300 I301 R302	S298-C300 VanDerWaalsContact C-N 3.31Å; S298-C300 PolarHBondContact O-N 3.09Å; S298-I301 WeakPolarHBondContact O-CB 3.32Å; S298-I301 PolarHBondContact O-N 3.42Å; S298-R302 PolarHBondContact O-N 3.28Å; S298-R302 VanDerWaalsContact O-N 3.13Å; S298-R302 PolarHBondContact O-NH1 2.94Å; S298-R302 PolarHBondContact OG-NH1 3.48Å
299	A	94.4	Very high	95.1	Very high	6 Å²	6	25.3 Å²	25.3	5%	0.05	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-38.3	174.6	0	0	0	0	0	111.9	F264 D297 I301 R302 V303	F264-A299 HydrophobicContact CE1-CB 3.9Å; F264-A299 HydrophobicContact CE2-CB 4.33Å; F264-A299 HydrophobicContact CZ-CB 3.51Å; D297-A299 PolarHBondContact O-N 3.03Å; D297-A299 VanDerWaalsContact O-N 3.08Å; D297-A299 PolarHBondContact OD1-N 2.95Å; D297-A299 WeakPolarHBondContact OD2-CB 3.3Å; A299-I301 VanDerWaalsContact C-N 3.3Å; A299-I301 PolarHBondContact O-N 2.95Å; A299-R302 PolarHBondContact O-N 2.85Å; A299-V303 WeakPolarHBondContact O-CG2 3.32Å; A299-V303 PolarHBondContact O-N 3.31Å
300	C	96.4	Very high	95.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-36.8	175.9	-63.6	0	0	0	0	111.5	L267 D297 S298 V303 C304	L267-C300 HydrophobicContact CD2-CB 3.69Å; D297-C300 VanDerWaalsContact O-CB 3.3Å; D297-C300 WeakPolarHBondContact O-CB 3.27Å; D297-C300 PolarHBondContact O-N 3.49Å; S298-C300 VanDerWaalsContact C-N 3.31Å; S298-C300 PolarHBondContact O-N 3.09Å; C300-V303 PolarHBondContact O-N 3.49Å; C300-C304 WeakPolarHBondContact O-CB 3.45Å; C300-C304 PolarHBondContact O-N 2.98Å; C300-C304 PolarHBondContact O-SG 3.43Å
301	I	95	Very high	94.9	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-46.1	173.3	-62.5	-178.9	0	0	0	110.6	C294 S298 A299 V303 C304 L305 L338 Q341	C294-I301 HydrophobicContact CB-CG1 3.83Å; C294-I301 WeakPolarHBondContact O-CD1 3.22Å; C294-I301 WeakPolarHBondContact O-CG1 3.5Å; S298-I301 WeakPolarHBondContact O-CB 3.32Å; S298-I301 PolarHBondContact O-N 3.42Å; A299-I301 VanDerWaalsContact C-N 3.3Å; A299-I301 PolarHBondContact O-N 2.95Å; I301-V303 PolarHBondContact O-N 3.46Å; I301-C304 PolarHBondContact O-N 2.91Å; I301-L305 HydrophobicContact CG2-CD1 3.85Å; I301-L305 HydrophobicContact CG2-CG 4.35Å; I301-L305 WeakPolarHBondContact O-CB 3.2Å; I301-L305 WeakPolarHBondContact O-CG 3.5Å; I301-L305 PolarHBondContact O-N 3.01Å; I301-L338 HydrophobicContact CB-CD2 4.27Å; I301-L338 HydrophobicContact CG1-CD2 4.22Å; I301-L338 HydrophobicContact CG2-CD2 3.91Å; I301-Q341 HydrophobicContact CD1-CB 3.7Å; I301-Q341 HydrophobicContact CD1-CG 4.22Å
302	R	94.5	Very high	94.7	Very high	155 Å²	155	29.2 Å²	29.2	59%	0.585	18%	0.176	S	C	*	.	H	α-helix	trans	-60.8	-42.9	176.3	-68	-170.7	-64.8	-81.8	3.8	112.2	S298 A299 G306	S298-R302 PolarHBondContact O-N 3.28Å; S298-R302 VanDerWaalsContact O-N 3.13Å; S298-R302 PolarHBondContact O-NH1 2.94Å; S298-R302 PolarHBondContact OG-NH1 3.48Å; A299-R302 PolarHBondContact O-N 2.85Å; R302-G306 PolarHBondContact O-N 3.43Å
303	V	95.8	Very high	94.8	Very high	38 Å²	38	29.2 Å²	29.2	23%	0.23	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-44.9	176	173.8	0	0	0	0	111	F264 L267 L268 A299 C300 I301 G306 S307	F264-V303 HydrophobicContact CB-CG2 4.26Å; F264-V303 HydrophobicContact CD2-CG2 4.29Å; F264-V303 HydrophobicContact CG-CG2 4.14Å; L267-V303 HydrophobicContact CD2-CB 3.93Å; L267-V303 HydrophobicContact CD2-CG1 3.83Å; L267-V303 HydrophobicContact CG-CG1 4.42Å; L268-V303 HydrophobicContact CD2-CG1 3.64Å; L268-V303 HydrophobicContact CG-CG1 4Å; A299-V303 WeakPolarHBondContact O-CG2 3.32Å; A299-V303 PolarHBondContact O-N 3.31Å; C300-V303 PolarHBondContact O-N 3.49Å; I301-V303 PolarHBondContact O-N 3.46Å; V303-G306 PolarHBondContact O-N 3.5Å; V303-S307 PolarHBondContact O-N 2.66Å
304	C	96.8	Very high	94.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.8	-41.8	179.2	-72.7	0	0	0	0	112.5	C300 I301 G306 S307 P310 L338	C300-C304 WeakPolarHBondContact O-CB 3.45Å; C300-C304 PolarHBondContact O-N 2.98Å; C300-C304 PolarHBondContact O-SG 3.43Å; I301-C304 PolarHBondContact O-N 2.91Å; C304-G306 VanDerWaalsContact C-N 3.27Å; C304-G306 PolarHBondContact O-N 3.3Å; C304-S307 WeakPolarHBondContact O-CB 3.36Å; C304-S307 PolarHBondContact O-N 3.45Å; C304-S307 VanDerWaalsContact O-N 3.08Å; C304-S307 PolarHBondContact O-OG 2.91Å; C304-P310 WeakPolarHBondContact O-CD 3.47Å; C304-L338 HydrophobicContact CB-CD1 4.22Å; C304-L338 HydrophobicContact CB-CD2 3.92Å
305	L	95.1	Very high	94.7	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.084	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-33.9	174.3	-75.4	170.7	0	0	0	112.3	I301 S307 P310 L338 L345 P346 L349	I301-L305 HydrophobicContact CG2-CD1 3.85Å; I301-L305 HydrophobicContact CG2-CG 4.35Å; I301-L305 WeakPolarHBondContact O-CB 3.2Å; I301-L305 WeakPolarHBondContact O-CG 3.5Å; I301-L305 PolarHBondContact O-N 3.01Å; L305-S307 PolarHBondContact O-N 3.24Å; L305-P310 HydrophobicContact CD2-CG 4.46Å; L305-L338 HydrophobicContact CD2-CB 4.13Å; L305-L338 HydrophobicContact CD2-CD1 4.47Å; L305-L345 HydrophobicContact CD2-CD2 4.43Å; L305-P346 HydrophobicContact CB-CG 4.19Å; L305-P346 WeakPolarHBondContact O-CG 3.24Å; L305-L349 HydrophobicContact CD2-CD2 3.76Å
306	G	94	Very high	94.6	Very high	73 Å²	73	36.2 Å²	36.2	75%	0.753	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.6	174.1	0	0	0	0	0	114.9	R302 V303 C304	R302-G306 PolarHBondContact O-N 3.43Å; V303-G306 PolarHBondContact O-N 3.5Å; C304-G306 VanDerWaalsContact C-N 3.27Å; C304-G306 PolarHBondContact O-N 3.3Å
307	S	94.6	Very high	94.7	Very high	28 Å²	28	34.8 Å²	34.8	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	-97.5	175.6	179.9	81.9	0	0	0	0	112.2	V303 C304 L305 L309 P310	V303-S307 PolarHBondContact O-N 2.66Å; C304-S307 WeakPolarHBondContact O-CB 3.36Å; C304-S307 PolarHBondContact O-N 3.45Å; C304-S307 VanDerWaalsContact O-N 3.08Å; C304-S307 PolarHBondContact O-OG 2.91Å; L305-S307 PolarHBondContact O-N 3.24Å; S307-L309 PolarHBondContact O-N 2.76Å; S307-L309 VanDerWaalsContact OG-CB 3.28Å; S307-L309 WeakPolarHBondContact OG-CB 3.22Å; S307-L309 PolarHBondContact OG-N 3.22Å; S307-L309 VanDerWaalsContact OG-N 3.12Å; S307-P310 VanDerWaalsContact O-CD 3.31Å; S307-P310 WeakPolarHBondContact O-CD 3.42Å
308	V	92.9	Very high	94.8	Very high	71 Å²	71	37 Å²	37	43%	0.43	20%	0.199	S	C	.	.	S	Bend	trans	-75.5	-9	172.8	102.6	0	0	0	0	113	Q275 T311 E312	Q275-V308 HydrophobicContact CG-CG1 3.73Å; V308-T311 PolarHBondContact O-N 2.85Å; V308-T311 PolarHBondContact O-OG1 3.47Å; V308-E312 HydrophobicContact CG1-CB 4.43Å; V308-E312 WeakPolarHBondContact O-CB 3.36Å; V308-E312 PolarHBondContact O-N 2.87Å
309	L	95.9	Very high	94.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-55.5	-45.8	-173.1	-178.3	61.5	0	0	0	113.1	V271 Y274 L287 V290 S307 T311 E312 L313 F334	V271-L309 HydrophobicContact CG1-CB 3.93Å; V271-L309 HydrophobicContact CG2-CD2 4.1Å; Y274-L309 HydrophobicContact CD1-CD1 3.32Å; Y274-L309 HydrophobicContact CE1-CD1 3.63Å; Y274-L309 HydrophobicContact CG-CD1 3.95Å; L287-L309 HydrophobicContact CD1-CD1 4.47Å; L287-L309 HydrophobicContact CD1-CD2 4.31Å; V290-L309 HydrophobicContact CG1-CD2 4.13Å; S307-L309 PolarHBondContact O-N 2.76Å; S307-L309 VanDerWaalsContact OG-CB 3.28Å; S307-L309 WeakPolarHBondContact OG-CB 3.22Å; S307-L309 PolarHBondContact OG-N 3.22Å; S307-L309 VanDerWaalsContact OG-N 3.12Å; L309-T311 PolarHBondContact O-N 3Å; L309-E312 PolarHBondContact O-N 3.5Å; L309-L313 HydrophobicContact CD1-CD1 4.04Å; L309-L313 HydrophobicContact CD1-CG 4.02Å; L309-L313 HydrophobicContact CG-CD1 3.88Å; L309-L313 HydrophobicContact CG-CG 4.33Å; L309-L313 WeakPolarHBondContact O-CB 3.31Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.41Å; L309-L313 PolarHBondContact O-N 3.06Å; L309-F334 HydrophobicContact CD2-CE1 3.48Å; L309-F334 VanDerWaalsContact CD2-CE1 3.48Å; L309-F334 HydrophobicContact CD2-CZ 3.55Å; L309-F334 HydrophobicContact CG-CE1 4.06Å
310	P	96.1	Very high	94.3	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.019	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-43.5	-179.9	-21.8	34.3	0	0	0	112.5	C304 L305 S307 L313 I314 L335 L338 L349	C304-P310 WeakPolarHBondContact O-CD 3.47Å; L305-P310 HydrophobicContact CD2-CG 4.46Å; S307-P310 VanDerWaalsContact O-CD 3.31Å; S307-P310 WeakPolarHBondContact O-CD 3.42Å; P310-L313 PolarHBondContact O-N 3.49Å; P310-I314 VanDerWaalsContact O-CG1 3.23Å; P310-I314 WeakPolarHBondContact O-CG1 3.4Å; P310-I314 PolarHBondContact O-N 3.29Å; P310-L335 HydrophobicContact CB-CD2 4.36Å; P310-L338 HydrophobicContact CG-CD1 4.13Å; P310-L349 HydrophobicContact CB-CD1 3.84Å; P310-L349 HydrophobicContact CB-CD2 3.86Å; P310-L349 HydrophobicContact CB-CG 4.36Å; P310-L349 HydrophobicContact CG-CD2 4.49Å
311	T	93.2	Very high	93.6	Very high	52 Å²	52	40.5 Å²	40.5	32%	0.319	23%	0.234	S	C	.	.	H	α-helix	trans	-69.8	-36	-179.4	50.8	0	0	0	0	111.9	V308 L309 I314 R315 D348	V308-T311 PolarHBondContact O-N 2.85Å; V308-T311 PolarHBondContact O-OG1 3.47Å; L309-T311 PolarHBondContact O-N 3Å; T311-I314 PolarHBondContact O-N 2.74Å; T311-R315 WeakPolarHBondContact O-CB 3.37Å; T311-R315 PolarHBondContact O-N 3.43Å; T311-D348 HydrophobicContact CG2-CB 4.49Å
312	E	93.7	Very high	92.8	Very high	29 Å²	29	43.7 Å²	43.7	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-45.5	172.7	175.9	56.6	-165.6	0	0	111.7	Y274 R283 V308 L309 I314 R315 E316	Y274-E312 HydrophobicContact CE1-CG 4.39Å; R283-E312 IonicContact CZ-OE1 2.99Å; R283-E312 IonicContact NH1-OE1 3.8Å; R283-E312 IonicContact NH2-OE1 3.02Å; R283-E312 PolarHBondContact NH2-OE1 2.95Å; V308-E312 HydrophobicContact CG1-CB 4.43Å; V308-E312 WeakPolarHBondContact O-CB 3.36Å; V308-E312 PolarHBondContact O-N 2.87Å; L309-E312 PolarHBondContact O-N 3.5Å; E312-I314 VanDerWaalsContact C-N 3.35Å; E312-I314 PolarHBondContact O-N 3.2Å; E312-R315 VanDerWaalsContact CD-NH2 3.31Å; E312-R315 WeakPolarHBondContact O-CB 3.26Å; E312-R315 PolarHBondContact O-N 3.09Å; E312-R315 IonicContact OE1-CZ 2.7Å; E312-R315 IonicContact OE1-NE 3.98Å; E312-R315 IonicContact OE1-NH2 3.99Å; E312-R315 PolarHBondContact OE1-NH2 3.12Å; E312-R315 IonicContact OE2-CZ 3.46Å; E312-R315 IonicContact OE2-NE 2.79Å; E312-R315 PolarHBondContact OE2-NE 2.92Å; E312-R315 IonicContact OE2-NH2 3.76Å; E312-R315 PolarHBondContact OE2-NH2 3.44Å; E312-E316 WeakPolarHBondContact O-CG 3.37Å; E312-E316 PolarHBondContact O-N 3.24Å
313	L	96.6	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-41	175.1	-69.2	168.7	0	0	0	112	Y274 L287 L309 P310 R315 E316 L317 R331 F334 L335	Y274-L313 HydrophobicContact CE1-CD2 3.88Å; Y274-L313 HydrophobicContact CE1-CG 4.44Å; Y274-L313 WeakPolarHBondContact OH-CD2 3.24Å; L287-L313 HydrophobicContact CD1-CD1 4.27Å; L287-L313 HydrophobicContact CD1-CD2 4.36Å; L287-L313 HydrophobicContact CD2-CD2 3.92Å; L309-L313 HydrophobicContact CD1-CD1 4.04Å; L309-L313 HydrophobicContact CD1-CG 4.02Å; L309-L313 HydrophobicContact CG-CD1 3.88Å; L309-L313 HydrophobicContact CG-CG 4.33Å; L309-L313 WeakPolarHBondContact O-CB 3.31Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.41Å; L309-L313 PolarHBondContact O-N 3.06Å; P310-L313 PolarHBondContact O-N 3.49Å; L313-R315 VanDerWaalsContact C-N 3.32Å; L313-R315 PolarHBondContact O-N 2.78Å; L313-E316 WeakPolarHBondContact O-CB 3.01Å; L313-E316 PolarHBondContact O-N 3.36Å; L313-L317 WeakPolarHBondContact O-CG 3.44Å; L313-L317 PolarHBondContact O-N 3.4Å; L313-R331 HydrophobicContact CD2-CB 4.23Å; L313-R331 HydrophobicContact CD2-CG 3.86Å; L313-F334 HydrophobicContact CD1-CD1 3.38Å; L313-F334 HydrophobicContact CD1-CE1 3.71Å; L313-F334 HydrophobicContact CD1-CG 4.48Å; L313-L335 HydrophobicContact CB-CD1 3.91Å; L313-L335 HydrophobicContact CB-CD2 4.08Å; L313-L335 HydrophobicContact CB-CG 4.1Å; L313-L335 HydrophobicContact CD1-CD2 3.98Å; L313-L335 HydrophobicContact CD1-CG 4.03Å
314	I	96.1	Very high	91	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-40.5	175.2	-66.2	-69.3	0	0	0	111	P310 T311 E312 L317 R318 L335 L349 L353 L357 F412	P310-I314 VanDerWaalsContact O-CG1 3.23Å; P310-I314 WeakPolarHBondContact O-CG1 3.4Å; P310-I314 PolarHBondContact O-N 3.29Å; T311-I314 PolarHBondContact O-N 2.74Å; E312-I314 VanDerWaalsContact C-N 3.35Å; E312-I314 PolarHBondContact O-N 3.2Å; I314-L317 PolarHBondContact O-N 2.9Å; I314-R318 WeakPolarHBondContact O-CG 3.38Å; I314-R318 PolarHBondContact O-N 3.23Å; I314-L335 HydrophobicContact CD1-CD1 3.95Å; I314-L335 HydrophobicContact CG1-CD1 4.49Å; I314-L349 HydrophobicContact CG1-CD1 4.01Å; I314-L353 HydrophobicContact CD1-CD2 3.76Å; I314-L357 HydrophobicContact CD1-CD2 3.75Å; I314-L357 HydrophobicContact CG2-CD2 4.18Å; I314-F412 HydrophobicContact CD1-CZ 3.94Å
315	R	94.3	Very high	90.6	Very high	144 Å²	144	43.7 Å²	43.7	54%	0.543	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.1	-172.5	-169.1	68.1	75	-1.6	111.5	T311 E312 L313 R318 G319	T311-R315 WeakPolarHBondContact O-CB 3.37Å; T311-R315 PolarHBondContact O-N 3.43Å; E312-R315 VanDerWaalsContact CD-NH2 3.31Å; E312-R315 WeakPolarHBondContact O-CB 3.26Å; E312-R315 PolarHBondContact O-N 3.09Å; E312-R315 IonicContact OE1-CZ 2.7Å; E312-R315 IonicContact OE1-NE 3.98Å; E312-R315 IonicContact OE1-NH2 3.99Å; E312-R315 PolarHBondContact OE1-NH2 3.12Å; E312-R315 IonicContact OE2-CZ 3.46Å; E312-R315 IonicContact OE2-NE 2.79Å; E312-R315 PolarHBondContact OE2-NE 2.92Å; E312-R315 IonicContact OE2-NH2 3.76Å; E312-R315 PolarHBondContact OE2-NH2 3.44Å; L313-R315 VanDerWaalsContact C-N 3.32Å; L313-R315 PolarHBondContact O-N 2.78Å; R315-R318 PolarHBondContact O-N 3.37Å; R315-G319 PolarHBondContact O-N 2.76Å
316	E	93.4	Very high	90.3	Very high	19 Å²	19	45.9 Å²	45.9	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-42.9	174.8	-66.6	-172.3	113.6	0	0	112.2	Y274 R283 E312 L313 R318 G319 S320 R331	Y274-E316 PolarHBondContact OH-OE2 3.12Å; R283-E316 VanDerWaalsContact CZ-CD 3.47Å; R283-E316 IonicContact CZ-OE1 2.63Å; R283-E316 IonicContact CZ-OE2 2.85Å; R283-E316 IonicContact NE-OE1 3.35Å; R283-E316 PolarHBondContact NE-OE1 3.34Å; R283-E316 IonicContact NH1-OE1 2.78Å; R283-E316 PolarHBondContact NH1-OE1 3.29Å; R283-E316 IonicContact NH2-OE1 2.76Å; R283-E316 PolarHBondContact NH2-OE1 3.45Å; R283-E316 IonicContact NH2-OE2 3.37Å; E312-E316 WeakPolarHBondContact O-CG 3.37Å; E312-E316 PolarHBondContact O-N 3.24Å; L313-E316 WeakPolarHBondContact O-CB 3.01Å; L313-E316 PolarHBondContact O-N 3.36Å; E316-R318 VanDerWaalsContact C-N 3.34Å; E316-R318 PolarHBondContact O-N 2.86Å; E316-G319 PolarHBondContact O-N 3.1Å; E316-S320 PolarHBondContact O-N 3.08Å; E316-R331 IonicContact OE1-CZ 3.59Å; E316-R331 IonicContact OE1-NE 3.76Å; E316-R331 PolarHBondContact OE1-NE 2.89Å; E316-R331 IonicContact OE1-NH2 2.77Å; E316-R331 PolarHBondContact OE1-NH2 3.17Å; E316-R331 IonicContact OE2-CZ 3.28Å; E316-R331 IonicContact OE2-NE 2.9Å; E316-R331 PolarHBondContact OE2-NE 3.02Å; E316-R331 IonicContact OE2-NH2 3.56Å
317	L	94.7	Very high	90.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-39.1	177.2	-70.8	-178.7	0	0	0	112.1	L313 I314 G319 S320 L328 R331 L332 L335 L357 H360	L313-L317 WeakPolarHBondContact O-CG 3.44Å; L313-L317 PolarHBondContact O-N 3.4Å; I314-L317 PolarHBondContact O-N 2.9Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 2.87Å; L317-S320 WeakPolarHBondContact O-CB 3.46Å; L317-S320 PolarHBondContact O-N 3.04Å; L317-S320 PolarHBondContact O-OG 2.94Å; L317-L328 HydrophobicContact CD2-CD2 3.94Å; L317-R331 HydrophobicContact CD2-CB 4.22Å; L317-L332 HydrophobicContact CD1-CD2 3.68Å; L317-L332 HydrophobicContact CD1-CG 4.48Å; L317-L332 HydrophobicContact CD2-CD2 4.06Å; L317-L332 HydrophobicContact CD2-CG 4.1Å; L317-L335 HydrophobicContact CD1-CD1 3.49Å; L317-L335 VanDerWaalsContact CD1-CD1 3.49Å; L317-L335 HydrophobicContact CG-CD1 4.47Å; L317-L357 HydrophobicContact CB-CD1 4.13Å; L317-H360 PolarHBondContact O-CD2 3.26Å; L317-H360 VanDerWaalsContact O-CD2 3.27Å; L317-H360 PolarHBondContact O-NE2 2.9Å
318	R	94.1	Very high	90.2	Very high	72 Å²	72	44.3 Å²	44.3	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-66.4	-34.8	177.1	-71.5	178.8	-177.4	-95	1.6	113.2	I314 R315 E316 S320 S352 D354 E356 L357	I314-R318 WeakPolarHBondContact O-CG 3.38Å; I314-R318 PolarHBondContact O-N 3.23Å; R315-R318 PolarHBondContact O-N 3.37Å; E316-R318 VanDerWaalsContact C-N 3.34Å; E316-R318 PolarHBondContact O-N 2.86Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S352 PolarHBondContact NH2-O 3.24Å; R318-D354 IonicContact CZ-OD1 3.54Å; R318-D354 IonicContact CZ-OD2 3.21Å; R318-D354 IonicContact NH1-OD1 3.7Å; R318-D354 PolarHBondContact NH1-OD1 3.14Å; R318-D354 IonicContact NH1-OD2 3.47Å; R318-D354 IonicContact NH2-OD1 2.67Å; R318-D354 PolarHBondContact NH2-OD1 3.29Å; R318-D354 IonicContact NH2-OD2 3.35Å; R318-D354 PolarHBondContact NH2-OD2 2.82Å; R318-E356 IonicContact NH1-OE2 3Å; R318-E356 PolarHBondContact NH1-OE2 2.91Å; R318-L357 HydrophobicContact CG-CD1 3.89Å
319	G	88.7	Confident	90.3	Very high	68 Å²	68	40.9 Å²	40.9	70%	0.701	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	2.8	177.6	0	0	0	0	0	114.5	R315 E316 L317	R315-G319 PolarHBondContact O-N 2.76Å; E316-G319 PolarHBondContact O-N 3.1Å; L317-G319 VanDerWaalsContact C-N 3.34Å; L317-G319 PolarHBondContact O-N 2.87Å
320	S	87.7	Confident	90.2	Very high	12 Å²	12	41.1 Å²	41.1	8%	0.084	23%	0.228	C	C	.	.			trans	-75.8	152.3	-169.6	65.7	0	0	0	0	114	E316 L317 R318 H360 L364	E316-S320 PolarHBondContact O-N 3.08Å; L317-S320 WeakPolarHBondContact O-CB 3.46Å; L317-S320 PolarHBondContact O-N 3.04Å; L317-S320 PolarHBondContact O-OG 2.94Å; R318-S320 VanDerWaalsContact C-N 3.28Å; S320-H360 PolarHBondContact O-CE1 3.04Å; S320-H360 PolarHBondContact O-NE2 2.96Å; S320-H360 PolarHBondContact OG-NE2 3.24Å; S320-L364 WeakPolarHBondContact OG-CD1 3.22Å
321	S	82.7	Confident	90.2	Very high	61 Å²	61	41.4 Å²	41.4	43%	0.427	23%	0.229	S	C	.	.			trans	-130.1	170.6	174.5	69.4	0	0	0	0	110.6	C323	S321-C323 PolarHBondContact O-N 2.96Å
322	H	77.1	Confident	90.4	Very high	72 Å²	72	39 Å²	39	33%	0.333	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-63.6	-10.3	-177.8	-61.6	-77.4	0	0	0	114.9	E324 I325 L364 Y402	H322-E324 VanDerWaalsContact C-N 3.3Å; H322-E324 PolarHBondContact O-N 2.58Å; H322-I325 WeakPolarHBondContact O-CG1 3.48Å; H322-L364 PolarHBondContact CE1-O 3.41Å; H322-L364 PolarHBondContact ND1-O 3.08Å; H322-Y402 HydrophobicContact CB-CE1 4.02Å; H322-Y402 AromaticContact ND1-CE1 3.51Å
323	C	71	Confident	90.4	Very high	120 Å²	120	37.6 Å²	37.6	81%	0.811	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-76	-11.2	-176	-59.8	0	0	0	0	114.6	S321	S321-C323 PolarHBondContact O-N 2.96Å
324	E	81.6	Confident	90.4	Very high	63 Å²	63	37.6 Å²	37.6	29%	0.294	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-123.9	28.6	-169.2	-60.3	-168.5	163.7	0	0	114.2	N280 H322 Y327 L328 R331	N280-E324 PolarHBondContact ND2-OE1 2.91Å; N280-E324 PolarHBondContact ND2-OE2 2.9Å; H322-E324 VanDerWaalsContact C-N 3.3Å; H322-E324 PolarHBondContact O-N 2.58Å; E324-Y327 HydrophobicContact CB-CD2 4.35Å; E324-Y327 PolarHBondContact O-N 3.3Å; E324-L328 HydrophobicContact CB-CD1 4.47Å; E324-L328 HydrophobicContact CB-CG 4.33Å; E324-L328 WeakPolarHBondContact O-CG 3.41Å; E324-L328 PolarHBondContact O-N 2.69Å; E324-R331 IonicContact OE2-NH1 3.8Å; E324-R331 PolarHBondContact OE2-NH1 3.41Å
325	I	89.1	Confident	90.5	Very high	9 Å²	9	37.4 Å²	37.4	5%	0.046	21%	0.207	C	C	.	.	H	α-helix	trans	-49.1	-48.4	-171	-67.5	168.8	0	0	0	114	H322 Y327 L328 A329 Q401 Y402 F405 L532	H322-I325 WeakPolarHBondContact O-CG1 3.48Å; I325-Y327 VanDerWaalsContact C-N 3.35Å; I325-Y327 PolarHBondContact O-N 2.89Å; I325-L328 PolarHBondContact O-N 3.1Å; I325-A329 PolarHBondContact O-N 3Å; I325-Q401 HydrophobicContact CG2-CB 4.5Å; I325-Y402 HydrophobicContact CD1-CD1 3.51Å; I325-Y402 HydrophobicContact CD1-CD2 4.42Å; I325-Y402 HydrophobicContact CD1-CE1 3.3Å; I325-Y402 HydrophobicContact CD1-CE2 4.23Å; I325-Y402 HydrophobicContact CD1-CG 4.07Å; I325-Y402 HydrophobicContact CG1-CE1 4.42Å; I325-F405 HydrophobicContact CG2-CB 3.6Å; I325-F405 HydrophobicContact CG2-CD2 3.79Å; I325-F405 HydrophobicContact CG2-CG 3.8Å; I325-L532 HydrophobicContact CG2-CD1 4.13Å; I325-L532 HydrophobicContact CG2-CD2 3.95Å
326	P	89.7	Confident	90.6	Very high	62 Å²	62	30.6 Å²	30.6	40%	0.403	18%	0.181	S	C	.	.	H	α-helix	trans	-61.8	-40.5	-179.3	-24.5	35.4	0	0	0	113.2	A329 L330 L532	P326-A329 PolarHBondContact O-N 3.1Å; P326-L330 PolarHBondContact O-N 3.38Å; P326-L330 VanDerWaalsContact O-N 3.16Å; P326-L532 HydrophobicContact CG-CD1 4.35Å
327	Y	92.2	Very high	90.7	Very high	66 Å²	66	29.7 Å²	29.7	26%	0.259	18%	0.177	S	C	.	.	H	α-helix	trans	-69.2	-36.7	177.4	-59.6	-56.3	0	0	0	111.7	N280 K281 E324 I325 L330 R331	N280-Y327 HydrophobicContact CB-CD1 4.21Å; N280-Y327 HydrophobicContact CB-CD2 3.75Å; N280-Y327 HydrophobicContact CB-CE1 4.16Å; N280-Y327 HydrophobicContact CB-CE2 3.68Å; N280-Y327 HydrophobicContact CB-CG 4.02Å; K281-Y327 WeakPolarHBondContact CG-OH 3.28Å; E324-Y327 HydrophobicContact CB-CD2 4.35Å; E324-Y327 PolarHBondContact O-N 3.3Å; I325-Y327 VanDerWaalsContact C-N 3.35Å; I325-Y327 PolarHBondContact O-N 2.89Å; Y327-L330 PolarHBondContact O-N 2.89Å; Y327-R331 VanDerWaalsContact O-CG 3.25Å; Y327-R331 WeakPolarHBondContact O-CG 3.36Å; Y327-R331 PolarHBondContact O-N 2.65Å
328	L	93.8	Very high	90.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-40.7	174.5	-63.4	171.9	0	0	0	111.6	L317 E324 I325 L330 R331 L332 F405	L317-L328 HydrophobicContact CD2-CD2 3.94Å; E324-L328 HydrophobicContact CB-CD1 4.47Å; E324-L328 HydrophobicContact CB-CG 4.33Å; E324-L328 WeakPolarHBondContact O-CG 3.41Å; E324-L328 PolarHBondContact O-N 2.69Å; I325-L328 PolarHBondContact O-N 3.1Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 2.92Å; L328-R331 PolarHBondContact O-N 3.31Å; L328-L332 WeakPolarHBondContact O-CB 3Å; L328-L332 VanDerWaalsContact O-CG 3.28Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 3.42Å; L328-F405 HydrophobicContact CB-CE2 3.58Å; L328-F405 HydrophobicContact CB-CZ 4.08Å; L328-F405 HydrophobicContact CD1-CZ 4.35Å
329	A	94	Very high	90.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-44.5	175.8	0	0	0	0	0	111.6	I325 P326 L332 R333 F405 A408 D531 L532 I535	I325-A329 PolarHBondContact O-N 3Å; P326-A329 PolarHBondContact O-N 3.1Å; A329-L332 PolarHBondContact O-N 3.05Å; A329-R333 WeakPolarHBondContact O-CB 3.26Å; A329-R333 PolarHBondContact O-N 3.26Å; A329-F405 HydrophobicContact CB-CD2 4.36Å; A329-A408 HydrophobicContact CB-CB 4.25Å; A329-D531 HydrophobicContact CB-CB 4.34Å; A329-L532 HydrophobicContact CB-CD2 3.64Å; A329-L532 HydrophobicContact CB-CG 4.06Å; A329-I535 HydrophobicContact CB-CD1 4.29Å
330	L	94.5	Very high	90.8	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-45.8	174.5	176.7	68.8	0	0	0	112.5	S284 L287 P326 Y327 L328 L332 R333 F334 F477 D531	S284-L330 VanDerWaalsContact CA-CD2 3.44Å; S284-L330 VanDerWaalsContact CB-CD2 3.45Å; S284-L330 WeakPolarHBondContact O-CD2 3.33Å; L287-L330 HydrophobicContact CB-CD2 4.36Å; L287-L330 HydrophobicContact CD2-CD2 4.34Å; L287-L330 HydrophobicContact CD2-CG 4.1Å; P326-L330 PolarHBondContact O-N 3.38Å; P326-L330 VanDerWaalsContact O-N 3.16Å; Y327-L330 PolarHBondContact O-N 2.89Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 2.92Å; L330-L332 PolarHBondContact O-N 3.21Å; L330-R333 PolarHBondContact O-N 3.5Å; L330-F334 WeakPolarHBondContact O-CB 3.08Å; L330-F334 PolarHBondContact O-N 3.38Å; L330-F477 HydrophobicContact CD1-CE1 3.5Å; L330-F477 HydrophobicContact CD1-CZ 4Å; L330-D531 WeakPolarHBondContact CD1-OD2 3.37Å
331	R	96.1	Very high	90.9	Very high	9 Å²	9	26.6 Å²	26.6	3%	0.034	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-44.9	176.4	-68.9	164.7	173.7	139.2	0.1	111.3	N280 L287 L313 E316 L317 E324 Y327 L328 F334 L335	N280-R331 PolarHBondContact OD1-NH2 3.45Å; L287-R331 HydrophobicContact CD2-CG 4.11Å; L313-R331 HydrophobicContact CD2-CB 4.23Å; L313-R331 HydrophobicContact CD2-CG 3.86Å; E316-R331 IonicContact OE1-CZ 3.59Å; E316-R331 IonicContact OE1-NE 3.76Å; E316-R331 PolarHBondContact OE1-NE 2.89Å; E316-R331 IonicContact OE1-NH2 2.77Å; E316-R331 PolarHBondContact OE1-NH2 3.17Å; E316-R331 IonicContact OE2-CZ 3.28Å; E316-R331 IonicContact OE2-NE 2.9Å; E316-R331 PolarHBondContact OE2-NE 3.02Å; E316-R331 IonicContact OE2-NH2 3.56Å; L317-R331 HydrophobicContact CD2-CB 4.22Å; E324-R331 IonicContact OE2-NH1 3.8Å; E324-R331 PolarHBondContact OE2-NH1 3.41Å; Y327-R331 VanDerWaalsContact O-CG 3.25Å; Y327-R331 WeakPolarHBondContact O-CG 3.36Å; Y327-R331 PolarHBondContact O-N 2.65Å; L328-R331 PolarHBondContact O-N 3.31Å; R331-F334 PolarHBondContact O-N 2.87Å; R331-L335 WeakPolarHBondContact O-CG 3.34Å; R331-L335 PolarHBondContact O-N 3.12Å
332	L	96.5	Very high	91.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.5	-42.1	177	-70.6	168.6	0	0	0	111.8	L317 L328 A329 L330 F334 L335 S336 L361 F405 A408 V409 F412	L317-L332 HydrophobicContact CD1-CD2 3.68Å; L317-L332 HydrophobicContact CD1-CG 4.48Å; L317-L332 HydrophobicContact CD2-CD2 4.06Å; L317-L332 HydrophobicContact CD2-CG 4.1Å; L328-L332 WeakPolarHBondContact O-CB 3Å; L328-L332 VanDerWaalsContact O-CG 3.28Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 3.42Å; A329-L332 PolarHBondContact O-N 3.05Å; L330-L332 PolarHBondContact O-N 3.21Å; L332-F334 PolarHBondContact O-N 3.09Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-S336 VanDerWaalsContact O-CB 3.28Å; L332-S336 WeakPolarHBondContact O-CB 3.38Å; L332-S336 PolarHBondContact O-N 3.16Å; L332-S336 PolarHBondContact O-OG 3.35Å; L332-L361 HydrophobicContact CD2-CD1 4.16Å; L332-L361 HydrophobicContact CD2-CD2 4.36Å; L332-F405 HydrophobicContact CD1-CD2 4.43Å; L332-F405 HydrophobicContact CD1-CE2 3.54Å; L332-F405 HydrophobicContact CD1-CZ 3.84Å; L332-A408 HydrophobicContact CB-CB 4.28Å; L332-A408 HydrophobicContact CD1-CB 3.98Å; L332-V409 HydrophobicContact CD1-CG2 3.71Å; L332-F412 HydrophobicContact CB-CB 4.38Å; L332-F412 HydrophobicContact CD2-CB 3.73Å; L332-F412 HydrophobicContact CD2-CD1 3.73Å; L332-F412 HydrophobicContact CD2-CD2 4.22Å; L332-F412 HydrophobicContact CD2-CE1 4.4Å; L332-F412 HydrophobicContact CD2-CG 3.61Å
333	R	95.2	Very high	91.7	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-48.5	174.2	-174.1	-171.7	175.2	164.2	5.3	111	A329 L330 S336 L337 V475 T476 F477 D531 Y534 I535	A329-R333 WeakPolarHBondContact O-CB 3.26Å; A329-R333 PolarHBondContact O-N 3.26Å; L330-R333 PolarHBondContact O-N 3.5Å; R333-S336 WeakPolarHBondContact O-CB 3.22Å; R333-S336 PolarHBondContact O-N 3.16Å; R333-L337 PolarHBondContact O-N 3.4Å; R333-V475 HydrophobicContact CG-CG2 3.84Å; R333-T476 PolarHBondContact NE-O 3.41Å; R333-T476 PolarHBondContact NH2-O 3.37Å; R333-F477 HydrophobicContact CB-CE2 4.3Å; R333-F477 HydrophobicContact CB-CZ 4.08Å; R333-F477 HydrophobicContact CG-CD2 4.44Å; R333-F477 HydrophobicContact CG-CE2 3.61Å; R333-F477 HydrophobicContact CG-CZ 3.75Å; R333-D531 WeakPolarHBondContact CD-OD1 3.44Å; R333-D531 IonicContact CZ-OD1 3.53Å; R333-D531 IonicContact NE-OD1 3.89Å; R333-D531 IonicContact NH1-OD1 3.38Å; R333-D531 PolarHBondContact NH1-OD1 3.35Å; R333-Y534 HydrophobicContact CG-CE1 4.37Å; R333-Y534 VanDerWaalsContact NE-CE1 3.25Å; R333-Y534 VanDerWaalsContact NH2-CE1 3.28Å; R333-Y534 VanDerWaalsContact NH2-CZ 3.3Å; R333-I535 HydrophobicContact CB-CD1 4.02Å; R333-I535 HydrophobicContact CB-CG1 4.5Å
334	F	96.9	Very high	92.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.1	-47.5	-179.9	-177.4	-94.8	0	0	0	112.1	L287 V290 L309 L313 L330 R331 L332 S336 L337 L338 F477	L287-F334 HydrophobicContact CD1-CB 4.16Å; L287-F334 HydrophobicContact CD1-CD1 3.66Å; L287-F334 HydrophobicContact CD1-CD2 3.79Å; L287-F334 HydrophobicContact CD1-CE1 3.89Å; L287-F334 HydrophobicContact CD1-CE2 4.08Å; L287-F334 HydrophobicContact CD1-CG 3.57Å; L287-F334 HydrophobicContact CD1-CZ 4.11Å; L287-F334 HydrophobicContact CD2-CB 4.17Å; L287-F334 HydrophobicContact CD2-CG 4.47Å; L287-F334 HydrophobicContact CG-CB 4.11Å; L287-F334 HydrophobicContact CG-CD2 4.21Å; L287-F334 HydrophobicContact CG-CG 4.01Å; V290-F334 HydrophobicContact CB-CE2 4.21Å; V290-F334 HydrophobicContact CG1-CE2 3.65Å; V290-F334 HydrophobicContact CG1-CZ 3.64Å; L309-F334 HydrophobicContact CD2-CE1 3.48Å; L309-F334 VanDerWaalsContact CD2-CE1 3.48Å; L309-F334 HydrophobicContact CD2-CZ 3.55Å; L309-F334 HydrophobicContact CG-CE1 4.06Å; L313-F334 HydrophobicContact CD1-CD1 3.38Å; L313-F334 HydrophobicContact CD1-CE1 3.71Å; L313-F334 HydrophobicContact CD1-CG 4.48Å; L330-F334 WeakPolarHBondContact O-CB 3.08Å; L330-F334 PolarHBondContact O-N 3.38Å; R331-F334 PolarHBondContact O-N 2.87Å; L332-F334 PolarHBondContact O-N 3.09Å; F334-S336 VanDerWaalsContact C-N 3.31Å; F334-S336 PolarHBondContact O-N 3.32Å; F334-L337 WeakPolarHBondContact O-CB 3.48Å; F334-L337 PolarHBondContact O-N 3.37Å; F334-L338 HydrophobicContact CD1-CD1 4.01Å; F334-L338 HydrophobicContact CD1-CG 4.25Å; F334-L338 HydrophobicContact CE1-CD1 3.33Å; F334-L338 HydrophobicContact CE1-CD2 4.38Å; F334-L338 HydrophobicContact CE1-CG 3.82Å; F334-L338 HydrophobicContact CZ-CD1 3.83Å; F334-L338 HydrophobicContact CZ-CD2 4.09Å; F334-L338 HydrophobicContact CZ-CG 4.03Å; F334-L338 PolarHBondContact O-N 3.39Å; F334-F477 HydrophobicContact CB-CE2 4.25Å; F334-F477 HydrophobicContact CB-CZ 3.86Å; F334-F477 HydrophobicContact CD2-CE2 4.38Å; F334-F477 HydrophobicContact CD2-CZ 4.26Å
335	L	97.2	Very high	93	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-39	176	-76	169.6	0	0	0	112	P310 L313 I314 L317 R331 L332 L337 L338 I339 F412	P310-L335 HydrophobicContact CB-CD2 4.36Å; L313-L335 HydrophobicContact CB-CD1 3.91Å; L313-L335 HydrophobicContact CB-CD2 4.08Å; L313-L335 HydrophobicContact CB-CG 4.1Å; L313-L335 HydrophobicContact CD1-CD2 3.98Å; L313-L335 HydrophobicContact CD1-CG 4.03Å; I314-L335 HydrophobicContact CD1-CD1 3.95Å; I314-L335 HydrophobicContact CG1-CD1 4.49Å; L317-L335 HydrophobicContact CD1-CD1 3.49Å; L317-L335 VanDerWaalsContact CD1-CD1 3.49Å; L317-L335 HydrophobicContact CG-CD1 4.47Å; R331-L335 WeakPolarHBondContact O-CG 3.34Å; R331-L335 PolarHBondContact O-N 3.12Å; L332-L335 PolarHBondContact O-N 2.95Å; L335-L337 VanDerWaalsContact C-N 3.31Å; L335-L337 PolarHBondContact O-N 2.94Å; L335-L338 PolarHBondContact O-N 2.91Å; L335-I339 WeakPolarHBondContact O-CB 3.18Å; L335-I339 WeakPolarHBondContact O-CG1 3.24Å; L335-I339 PolarHBondContact O-N 3.14Å; L335-F412 HydrophobicContact CB-CD2 3.84Å; L335-F412 HydrophobicContact CB-CE2 3.68Å; L335-F412 HydrophobicContact CD1-CE2 3.94Å; L335-F412 HydrophobicContact CD1-CZ 4.45Å; L335-F412 HydrophobicContact CG-CE2 4.4Å
336	S	96.1	Very high	93.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-40.7	175.7	-57.7	0	0	0	0	111.5	L332 R333 F334 S340 F412	L332-S336 VanDerWaalsContact O-CB 3.28Å; L332-S336 WeakPolarHBondContact O-CB 3.38Å; L332-S336 PolarHBondContact O-N 3.16Å; L332-S336 PolarHBondContact O-OG 3.35Å; R333-S336 WeakPolarHBondContact O-CB 3.22Å; R333-S336 PolarHBondContact O-N 3.16Å; F334-S336 VanDerWaalsContact C-N 3.31Å; F334-S336 PolarHBondContact O-N 3.32Å; S336-S340 WeakPolarHBondContact O-CB 3.31Å; S336-S340 PolarHBondContact O-N 3.45Å; S336-S340 PolarHBondContact O-OG 3.07Å; S336-F412 WeakPolarHBondContact OG-CA 3.3Å; S336-F412 PolarHBondContact OG-N 3.47Å
337	L	94.9	Very high	93.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-52.3	173.4	177.9	74	0	0	0	111.6	C294 R333 F334 L335 I339 S340 Q341 V475 F477	C294-L337 HydrophobicContact CB-CD2 3.68Å; R333-L337 PolarHBondContact O-N 3.4Å; F334-L337 WeakPolarHBondContact O-CB 3.48Å; F334-L337 PolarHBondContact O-N 3.37Å; L335-L337 VanDerWaalsContact C-N 3.31Å; L335-L337 PolarHBondContact O-N 2.94Å; L337-I339 VanDerWaalsContact C-N 3.34Å; L337-I339 PolarHBondContact O-N 3.16Å; L337-S340 PolarHBondContact O-OG 3.39Å; L337-Q341 HydrophobicContact CD1-CG 4.41Å; L337-Q341 PolarHBondContact O-N 2.91Å; L337-V475 HydrophobicContact CB-CG1 4.08Å; L337-V475 HydrophobicContact CD1-CG1 4.07Å; L337-V475 VanDerWaalsContact CD1-O 3.29Å; L337-V475 WeakPolarHBondContact CD1-O 3.16Å; L337-F477 HydrophobicContact CD2-CD2 3.89Å; L337-F477 HydrophobicContact CD2-CE2 4.21Å
338	L	95.3	Very high	93.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-43.3	-178.7	-66.9	-171.9	0	0	0	112.2	I301 C304 L305 P310 F334 L335 S342	I301-L338 HydrophobicContact CB-CD2 4.27Å; I301-L338 HydrophobicContact CG1-CD2 4.22Å; I301-L338 HydrophobicContact CG2-CD2 3.91Å; C304-L338 HydrophobicContact CB-CD1 4.22Å; C304-L338 HydrophobicContact CB-CD2 3.92Å; L305-L338 HydrophobicContact CD2-CB 4.13Å; L305-L338 HydrophobicContact CD2-CD1 4.47Å; P310-L338 HydrophobicContact CG-CD1 4.13Å; F334-L338 HydrophobicContact CD1-CD1 4.01Å; F334-L338 HydrophobicContact CD1-CG 4.25Å; F334-L338 HydrophobicContact CE1-CD1 3.33Å; F334-L338 HydrophobicContact CE1-CD2 4.38Å; F334-L338 HydrophobicContact CE1-CG 3.82Å; F334-L338 HydrophobicContact CZ-CD1 3.83Å; F334-L338 HydrophobicContact CZ-CD2 4.09Å; F334-L338 HydrophobicContact CZ-CG 4.03Å; F334-L338 PolarHBondContact O-N 3.39Å; L335-L338 PolarHBondContact O-N 2.91Å; L338-S342 VanDerWaalsContact O-CB 3.32Å; L338-S342 WeakPolarHBondContact O-CB 3.29Å; L338-S342 PolarHBondContact O-OG 3.23Å
339	I	94.4	Very high	93.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-72	-50.4	-176.2	-67.1	170.5	0	0	0	110.2	L335 L337 Q341 S342 L345 L353 F412 A415 H419	L335-I339 WeakPolarHBondContact O-CB 3.18Å; L335-I339 WeakPolarHBondContact O-CG1 3.24Å; L335-I339 PolarHBondContact O-N 3.14Å; L337-I339 VanDerWaalsContact C-N 3.34Å; L337-I339 PolarHBondContact O-N 3.16Å; I339-Q341 VanDerWaalsContact C-N 3.34Å; I339-Q341 PolarHBondContact O-N 2.9Å; I339-S342 PolarHBondContact O-N 3.41Å; I339-S342 PolarHBondContact O-OG 3.08Å; I339-L345 HydrophobicContact CG1-CD2 4.21Å; I339-L345 HydrophobicContact CG2-CD1 4.46Å; I339-L345 HydrophobicContact CG2-CD2 4.44Å; I339-L353 HydrophobicContact CD1-CD1 4.17Å; I339-L353 HydrophobicContact CD1-CD2 4.5Å; I339-F412 HydrophobicContact CD1-CD2 4.3Å; I339-F412 HydrophobicContact CD1-CE2 3.68Å; I339-A415 HydrophobicContact CB-CB 4.4Å; I339-A415 HydrophobicContact CG2-CB 4.11Å; I339-A415 WeakPolarHBondContact CG2-O 3.29Å; I339-H419 WeakPolarHBondContact CG2-CD2 3.43Å; I339-H419 PolarHBondContact O-NE2 3.42Å
340	S	91.3	Very high	93.2	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-37.2	-175.1	58.7	0	0	0	0	113.9	S336 L337 I472	S336-S340 WeakPolarHBondContact O-CB 3.31Å; S336-S340 PolarHBondContact O-N 3.45Å; S336-S340 PolarHBondContact O-OG 3.07Å; L337-S340 PolarHBondContact O-OG 3.39Å; S340-I472 WeakPolarHBondContact CB-O 3.42Å; S340-I472 PolarHBondContact OG-O 2.87Å
341	Q	89	Confident	93.1	Very high	85 Å²	85	38.1 Å²	38.1	40%	0.397	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0	-176.8	-59.5	-166.6	9.3	0	0	113.8	I301 L337 I339	I301-Q341 HydrophobicContact CD1-CB 3.7Å; I301-Q341 HydrophobicContact CD1-CG 4.22Å; L337-Q341 HydrophobicContact CD1-CG 4.41Å; L337-Q341 PolarHBondContact O-N 2.91Å; I339-Q341 VanDerWaalsContact C-N 3.34Å; I339-Q341 PolarHBondContact O-N 2.9Å
342	S	89.5	Confident	93.1	Very high	10 Å²	10	38.7 Å²	38.7	7%	0.07	20%	0.203	C	C	.	.			trans	-93.8	140.5	177.9	69.9	0	0	0	0	111.7	L338 I339 L345 H419	L338-S342 VanDerWaalsContact O-CB 3.32Å; L338-S342 WeakPolarHBondContact O-CB 3.29Å; L338-S342 PolarHBondContact O-OG 3.23Å; I339-S342 PolarHBondContact O-N 3.41Å; I339-S342 PolarHBondContact O-OG 3.08Å; S342-L345 VanDerWaalsContact OG-CD2 3.22Å; S342-L345 WeakPolarHBondContact OG-CD2 3.4Å; S342-H419 PolarHBondContact O-CE1 3.42Å; S342-H419 PolarHBondContact OG-CE1 3.23Å; S342-H419 PolarHBondContact OG-NE2 2.96Å
343	Q	87.1	Confident	93	Very high	104 Å²	104	38.9 Å²	38.9	49%	0.486	20%	0.204	S	C	.	.	S	Bend	trans	-84.2	-24.6	171.3	-65.5	178.2	1.5	0	0	112.4	V554 P556 V557	Q343-V554 HydrophobicContact CG-CB 4.37Å; Q343-V554 HydrophobicContact CG-CG1 3.99Å; Q343-P556 WeakPolarHBondContact O-CA 3.21Å; Q343-V557 HydrophobicContact CB-CG2 4.08Å; Q343-V557 PolarHBondContact O-N 2.9Å; Q343-V557 VanDerWaalsContact O-N 3.07Å
344	T	89.5	Confident	93	Very high	87 Å²	87	41.1 Å²	41.1	53%	0.534	22%	0.216	S	C	.	.	S	Bend	trans	-141.4	145.2	178.7	58.7	0	0	0	0	110.1	V557	T344-V557 HydrophobicContact CG2-CB 3.8Å; T344-V557 HydrophobicContact CG2-CG2 3.34Å
345	L	91.9	Very high	92.9	Very high	24 Å²	24	44.9 Å²	44.9	13%	0.126	23%	0.233	C	C	.	.			trans	-104.2	144.1	174.4	-61.6	176.9	0	0	0	110.4	L305 I339 S342 L349 H350 L353 H419	L305-L345 HydrophobicContact CD2-CD2 4.43Å; I339-L345 HydrophobicContact CG1-CD2 4.21Å; I339-L345 HydrophobicContact CG2-CD1 4.46Å; I339-L345 HydrophobicContact CG2-CD2 4.44Å; S342-L345 VanDerWaalsContact OG-CD2 3.22Å; S342-L345 WeakPolarHBondContact OG-CD2 3.4Å; L345-L349 HydrophobicContact CD2-CD2 4.09Å; L345-H350 HydrophobicContact CB-CB 4.26Å; L345-L353 HydrophobicContact CD1-CD1 3.95Å; L345-H419 HydrophobicContact CD1-CB 3.86Å
346	P	92.8	Very high	92.9	Very high	46 Å²	46	51.5 Å²	51.5	30%	0.299	26%	0.264	S	S	.	.			trans	-52.6	142.5	165.7	-22.3	30.4	0	0	0	111.1	L305 D348 L349 H350	L305-P346 HydrophobicContact CB-CG 4.19Å; L305-P346 WeakPolarHBondContact O-CG 3.24Å; P346-D348 VanDerWaalsContact C-N 3.26Å; P346-D348 PolarHBondContact O-N 3.45Å; P346-L349 HydrophobicContact CB-CB 4.26Å; P346-L349 HydrophobicContact CG-CB 4.47Å; P346-L349 PolarHBondContact O-N 3.37Å; P346-L349 VanDerWaalsContact O-N 3.14Å; P346-H350 PolarHBondContact O-N 2.93Å
347	V	91.4	Very high	92.9	Very high	96 Å²	96	51.5 Å²	51.5	58%	0.582	26%	0.264	S	S	*	.	H	α-helix	trans	-57.2	-40.8	-175.2	177.2	0	0	0	0	111.8	H350 K351	V347-H350 PolarHBondContact O-N 2.84Å; V347-K351 HydrophobicContact CG1-CD 4.1Å; V347-K351 HydrophobicContact CG1-CG 4.49Å; V347-K351 WeakPolarHBondContact O-CB 3.47Å; V347-K351 VanDerWaalsContact O-CG 3.31Å; V347-K351 WeakPolarHBondContact O-CG 3.4Å; V347-K351 PolarHBondContact O-N 2.94Å
348	D	91.6	Very high	93	Very high	110 Å²	110	51.5 Å²	51.5	59%	0.588	26%	0.264	S	S	*	.	H	α-helix	trans	-68.6	-41	-179.4	-60.6	-35.5	0	0	0	112	T311 P346 K351 S352	T311-D348 HydrophobicContact CG2-CB 4.49Å; P346-D348 VanDerWaalsContact C-N 3.26Å; P346-D348 PolarHBondContact O-N 3.45Å; D348-K351 PolarHBondContact O-N 3.1Å; D348-S352 WeakPolarHBondContact O-CB 3.42Å; D348-S352 PolarHBondContact O-N 3.06Å
349	L	94.1	Very high	93	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-51.6	173.5	179.3	58.1	0	0	0	109.9	L305 P310 I314 L345 P346 K351 S352 L353	L305-L349 HydrophobicContact CD2-CD2 3.76Å; P310-L349 HydrophobicContact CB-CD1 3.84Å; P310-L349 HydrophobicContact CB-CD2 3.86Å; P310-L349 HydrophobicContact CB-CG 4.36Å; P310-L349 HydrophobicContact CG-CD2 4.49Å; I314-L349 HydrophobicContact CG1-CD1 4.01Å; L345-L349 HydrophobicContact CD2-CD2 4.09Å; P346-L349 HydrophobicContact CB-CB 4.26Å; P346-L349 HydrophobicContact CG-CB 4.47Å; P346-L349 PolarHBondContact O-N 3.37Å; P346-L349 VanDerWaalsContact O-N 3.14Å; L349-K351 VanDerWaalsContact C-N 3.28Å; L349-K351 PolarHBondContact O-N 3.45Å; L349-S352 WeakPolarHBondContact O-CB 3.12Å; L349-S352 PolarHBondContact O-N 2.8Å; L349-S352 PolarHBondContact O-OG 3.05Å; L349-L353 WeakPolarHBondContact O-CG 3.05Å; L349-L353 PolarHBondContact O-N 3.22Å
350	H	92.2	Very high	93	Very high	75 Å²	75	55 Å²	55	35%	0.347	28%	0.282	S	S	.	.	H	α-helix	trans	-57.5	-39.4	179.4	-174	-68.8	0	0	0	112.5	L345 P346 V347 L353 F420	L345-H350 HydrophobicContact CB-CB 4.26Å; P346-H350 PolarHBondContact O-N 2.93Å; V347-H350 PolarHBondContact O-N 2.84Å; H350-L353 PolarHBondContact O-N 2.96Å; H350-F420 AromaticContact CE1-CD1 3.95Å; H350-F420 AromaticContact CE1-CE1 3.6Å; H350-F420 AromaticContact NE2-CD1 3.9Å; H350-F420 AromaticContact NE2-CE1 3.8Å
351	K	92.8	Very high	93.2	Very high	147 Å²	147	54.8 Å²	54.8	64%	0.639	28%	0.281	S	S	*	.	H	α-helix	trans	-67.2	-34.6	175.2	-75.9	174.3	-178.9	172.9	0	112.9	V347 D348 L349 L353	V347-K351 HydrophobicContact CG1-CD 4.1Å; V347-K351 HydrophobicContact CG1-CG 4.49Å; V347-K351 WeakPolarHBondContact O-CB 3.47Å; V347-K351 VanDerWaalsContact O-CG 3.31Å; V347-K351 WeakPolarHBondContact O-CG 3.4Å; V347-K351 PolarHBondContact O-N 2.94Å; D348-K351 PolarHBondContact O-N 3.1Å; L349-K351 VanDerWaalsContact C-N 3.28Å; L349-K351 PolarHBondContact O-N 3.45Å; K351-L353 PolarHBondContact O-N 3.07Å
352	S	94.6	Very high	93.4	Very high	22 Å²	22	51 Å²	51	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-73.5	-14.1	179.1	77.7	0	0	0	0	113.8	R318 D348 L349 D354	R318-S352 PolarHBondContact NH2-O 3.24Å; D348-S352 WeakPolarHBondContact O-CB 3.42Å; D348-S352 PolarHBondContact O-N 3.06Å; L349-S352 WeakPolarHBondContact O-CB 3.12Å; L349-S352 PolarHBondContact O-N 2.8Å; L349-S352 PolarHBondContact O-OG 3.05Å; S352-D354 VanDerWaalsContact C-N 3.34Å; S352-D354 PolarHBondContact O-N 3.31Å
353	L	95.1	Very high	93.5	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	27%	0.27	C	S	.	.	S	Bend	trans	-85.2	74.9	173.4	-60.5	-177.7	0	0	0	109.8	I314 I339 L345 L349 H350 K351 L357 F358 F412 C416 F420	I314-L353 HydrophobicContact CD1-CD2 3.76Å; I339-L353 HydrophobicContact CD1-CD1 4.17Å; I339-L353 HydrophobicContact CD1-CD2 4.5Å; L345-L353 HydrophobicContact CD1-CD1 3.95Å; L349-L353 WeakPolarHBondContact O-CG 3.05Å; L349-L353 PolarHBondContact O-N 3.22Å; H350-L353 PolarHBondContact O-N 2.96Å; K351-L353 PolarHBondContact O-N 3.07Å; L353-L357 HydrophobicContact CD2-CD2 4.12Å; L353-F358 HydrophobicContact CB-CZ 4.02Å; L353-F412 HydrophobicContact CD2-CZ 3.86Å; L353-C416 HydrophobicContact CD1-CB 4.32Å; L353-F420 HydrophobicContact CB-CZ 3.93Å; L353-F420 VanDerWaalsContact O-CZ 3.31Å; L353-F420 WeakPolarHBondContact O-CZ 3.31Å
354	D	94.9	Very high	93.6	Very high	48 Å²	48	47.9 Å²	47.9	26%	0.257	25%	0.249	S	C	.	.			trans	-113.9	178.6	-174	65	28	0	0	0	113.6	R318 S352 E356 L357 F358	R318-D354 IonicContact CZ-OD1 3.54Å; R318-D354 IonicContact CZ-OD2 3.21Å; R318-D354 IonicContact NH1-OD1 3.7Å; R318-D354 PolarHBondContact NH1-OD1 3.14Å; R318-D354 IonicContact NH1-OD2 3.47Å; R318-D354 IonicContact NH2-OD1 2.67Å; R318-D354 PolarHBondContact NH2-OD1 3.29Å; R318-D354 IonicContact NH2-OD2 3.35Å; R318-D354 PolarHBondContact NH2-OD2 2.82Å; S352-D354 VanDerWaalsContact C-N 3.34Å; S352-D354 PolarHBondContact O-N 3.31Å; D354-E356 VanDerWaalsContact C-N 3.27Å; D354-E356 PolarHBondContact O-N 3.34Å; D354-E356 WeakPolarHBondContact OD1-CB 3.27Å; D354-E356 PolarHBondContact OD1-N 3.2Å; D354-L357 PolarHBondContact OD1-N 3.42Å; D354-F358 VanDerWaalsContact O-CD2 3.29Å; D354-F358 WeakPolarHBondContact O-CD2 3.46Å; D354-F358 VanDerWaalsContact O-CG 3.3Å; D354-F358 WeakPolarHBondContact O-CG 3.44Å; D354-F358 PolarHBondContact O-N 3.22Å
355	Q	95.7	Very high	93.5	Very high	79 Å²	79	44.4 Å²	44.4	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-34.4	179.7	177.3	-178.4	-8	0	0	112.3	T359 P442 K445 A446	Q355-T359 VanDerWaalsContact O-CB 3.23Å; Q355-T359 WeakPolarHBondContact O-CB 3.35Å; Q355-T359 PolarHBondContact O-N 3.01Å; Q355-T359 PolarHBondContact O-OG1 3.32Å; Q355-P442 HydrophobicContact CB-CB 4.5Å; Q355-K445 HydrophobicContact CB-CB 4.42Å; Q355-K445 VanDerWaalsContact CD-CB 3.49Å; Q355-K445 HydrophobicContact CG-CB 3.94Å; Q355-K445 PolarHBondContact NE2-O 3.23Å; Q355-A446 HydrophobicContact CG-CB 4.21Å
356	E	96.2	Very high	93.1	Very high	139 Å²	139	44.4 Å²	44.4	65%	0.65	23%	0.228	S	C	*	.	H	α-helix	trans	-67.9	-48.1	-176.8	-175.2	-173.5	-170.9	0	0	110.5	R318 D354 F358 T359 H360	R318-E356 IonicContact NH1-OE2 3Å; R318-E356 PolarHBondContact NH1-OE2 2.91Å; D354-E356 VanDerWaalsContact C-N 3.27Å; D354-E356 PolarHBondContact O-N 3.34Å; D354-E356 WeakPolarHBondContact OD1-CB 3.27Å; D354-E356 PolarHBondContact OD1-N 3.2Å; E356-F358 PolarHBondContact O-N 2.69Å; E356-T359 PolarHBondContact O-N 2.98Å; E356-H360 WeakPolarHBondContact O-CB 3.34Å; E356-H360 PolarHBondContact O-N 3.35Å
357	L	96.5	Very high	92	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-49.6	175.3	174.3	65.2	0	0	0	111.1	I314 L317 R318 L353 D354 T359 H360 L361 F412	I314-L357 HydrophobicContact CD1-CD2 3.75Å; I314-L357 HydrophobicContact CG2-CD2 4.18Å; L317-L357 HydrophobicContact CB-CD1 4.13Å; R318-L357 HydrophobicContact CG-CD1 3.89Å; L353-L357 HydrophobicContact CD2-CD2 4.12Å; D354-L357 PolarHBondContact OD1-N 3.42Å; L357-T359 VanDerWaalsContact C-N 3.33Å; L357-T359 PolarHBondContact O-N 3.37Å; L357-H360 WeakPolarHBondContact O-CB 3.46Å; L357-H360 PolarHBondContact O-N 3.15Å; L357-L361 HydrophobicContact CD1-CD1 4.22Å; L357-L361 HydrophobicContact CD1-CG 4.29Å; L357-L361 HydrophobicContact CG-CD1 4.24Å; L357-L361 WeakPolarHBondContact O-CG 3.39Å; L357-L361 PolarHBondContact O-N 3.29Å; L357-F412 HydrophobicContact CD2-CE1 4.17Å; L357-F412 HydrophobicContact CD2-CZ 4.21Å
358	F	96.6	Very high	90.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-39.2	-177.7	-59.7	-22.8	0	0	0	111.8	L353 D354 E356 H360 L361 I362 F412 L413 C416 F420 P442 L443 A446	L353-F358 HydrophobicContact CB-CZ 4.02Å; D354-F358 VanDerWaalsContact O-CD2 3.29Å; D354-F358 WeakPolarHBondContact O-CD2 3.46Å; D354-F358 VanDerWaalsContact O-CG 3.3Å; D354-F358 WeakPolarHBondContact O-CG 3.44Å; D354-F358 PolarHBondContact O-N 3.22Å; E356-F358 PolarHBondContact O-N 2.69Å; F358-H360 VanDerWaalsContact C-N 3.33Å; F358-H360 PolarHBondContact O-N 2.83Å; F358-L361 PolarHBondContact O-N 3.33Å; F358-I362 WeakPolarHBondContact O-CB 3.16Å; F358-I362 WeakPolarHBondContact O-CD1 3.49Å; F358-I362 VanDerWaalsContact O-CG1 3.22Å; F358-I362 WeakPolarHBondContact O-CG1 3.41Å; F358-I362 PolarHBondContact O-N 3.09Å; F358-F412 HydrophobicContact CD1-CE1 4.5Å; F358-F412 HydrophobicContact CE1-CE1 4.13Å; F358-L413 HydrophobicContact CB-CD2 3.92Å; F358-L413 HydrophobicContact CD1-CD2 3.29Å; F358-L413 HydrophobicContact CE1-CD2 3.91Å; F358-L413 HydrophobicContact CG-CD2 3.68Å; F358-C416 HydrophobicContact CE1-CB 4Å; F358-C416 HydrophobicContact CZ-CB 3.65Å; F358-F420 AromaticContact CE2-CE2 3.94Å; F358-F420 HydrophobicContact CE2-CE2 3.94Å; F358-F420 HydrophobicContact CE2-CZ 4.45Å; F358-F420 HydrophobicContact CZ-CE2 4.01Å; F358-F420 HydrophobicContact CZ-CZ 4.44Å; F358-P442 HydrophobicContact CD2-CB 4.05Å; F358-P442 HydrophobicContact CE2-CB 3.85Å; F358-L443 HydrophobicContact CD2-CB 3.96Å; F358-L443 HydrophobicContact CD2-CD1 4.46Å; F358-L443 HydrophobicContact CE2-CB 4.13Å; F358-A446 HydrophobicContact CB-CB 3.7Å
359	T	96	Very high	89	Confident	21 Å²	21	45 Å²	45	13%	0.129	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-41.6	174.7	-59.7	0	0	0	0	111.3	Q355 E356 L357 N363 A446 K450	Q355-T359 VanDerWaalsContact O-CB 3.23Å; Q355-T359 WeakPolarHBondContact O-CB 3.35Å; Q355-T359 PolarHBondContact O-N 3.01Å; Q355-T359 PolarHBondContact O-OG1 3.32Å; E356-T359 PolarHBondContact O-N 2.98Å; L357-T359 VanDerWaalsContact C-N 3.33Å; L357-T359 PolarHBondContact O-N 3.37Å; T359-N363 VanDerWaalsContact O-CG 3.22Å; T359-N363 PolarHBondContact O-N 2.88Å; T359-N363 PolarHBondContact O-ND2 3.22Å; T359-A446 WeakPolarHBondContact OG1-CB 3.44Å; T359-K450 HydrophobicContact CG2-CD 4.49Å; T359-K450 HydrophobicContact CG2-CG 3.74Å
360	H	94.9	Very high	86.9	Confident	52 Å²	52	49.9 Å²	49.9	24%	0.241	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-51.3	175.9	179.7	67	0	0	0	111.7	L317 S320 E356 L357 F358 I362 N363 L364	L317-H360 PolarHBondContact O-CD2 3.26Å; L317-H360 VanDerWaalsContact O-CD2 3.27Å; L317-H360 PolarHBondContact O-NE2 2.9Å; S320-H360 PolarHBondContact O-CE1 3.04Å; S320-H360 PolarHBondContact O-NE2 2.96Å; S320-H360 PolarHBondContact OG-NE2 3.24Å; E356-H360 WeakPolarHBondContact O-CB 3.34Å; E356-H360 PolarHBondContact O-N 3.35Å; L357-H360 WeakPolarHBondContact O-CB 3.46Å; L357-H360 PolarHBondContact O-N 3.15Å; F358-H360 VanDerWaalsContact C-N 3.33Å; F358-H360 PolarHBondContact O-N 2.83Å; H360-I362 VanDerWaalsContact C-N 3.35Å; H360-I362 PolarHBondContact O-N 3.36Å; H360-N363 PolarHBondContact O-N 3.41Å; H360-N363 VanDerWaalsContact O-N 3.15Å; H360-L364 WeakPolarHBondContact NE2-CD1 3.34Å; H360-L364 WeakPolarHBondContact O-CG 3.32Å; H360-L364 PolarHBondContact O-N 2.67Å
361	L	94.5	Very high	84.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-40.5	179.5	-65.8	176.4	0	0	0	112.5	L332 L357 F358 N363 L364 C365 V409 F412 L413	L332-L361 HydrophobicContact CD2-CD1 4.16Å; L332-L361 HydrophobicContact CD2-CD2 4.36Å; L357-L361 HydrophobicContact CD1-CD1 4.22Å; L357-L361 HydrophobicContact CD1-CG 4.29Å; L357-L361 HydrophobicContact CG-CD1 4.24Å; L357-L361 WeakPolarHBondContact O-CG 3.39Å; L357-L361 PolarHBondContact O-N 3.29Å; F358-L361 PolarHBondContact O-N 3.33Å; L361-N363 VanDerWaalsContact C-N 3.35Å; L361-N363 PolarHBondContact O-N 2.87Å; L361-L364 HydrophobicContact CD2-CD1 4.32Å; L361-L364 PolarHBondContact O-N 3.41Å; L361-C365 PolarHBondContact O-N 3.07Å; L361-C365 PolarHBondContact O-SG 3.13Å; L361-V409 HydrophobicContact CB-CG1 3.84Å; L361-V409 HydrophobicContact CB-CG2 4.36Å; L361-F412 HydrophobicContact CD1-CD1 3.57Å; L361-F412 HydrophobicContact CD1-CE1 3.56Å; L361-L413 HydrophobicContact CD1-CD2 4.41Å
362	I	93.5	Very high	81.6	Confident	4 Å²	4	52 Å²	52	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-42.4	175.1	-70.4	163.7	0	0	0	110.9	F358 H360 L364 C365 L413 A446 L447 K450	F358-I362 WeakPolarHBondContact O-CB 3.16Å; F358-I362 WeakPolarHBondContact O-CD1 3.49Å; F358-I362 VanDerWaalsContact O-CG1 3.22Å; F358-I362 WeakPolarHBondContact O-CG1 3.41Å; F358-I362 PolarHBondContact O-N 3.09Å; H360-I362 VanDerWaalsContact C-N 3.35Å; H360-I362 PolarHBondContact O-N 3.36Å; I362-L364 VanDerWaalsContact C-N 3.32Å; I362-L364 PolarHBondContact O-N 2.86Å; I362-C365 PolarHBondContact O-N 3.23Å; I362-L413 HydrophobicContact CD1-CD1 4.35Å; I362-L413 HydrophobicContact CG1-CD1 3.97Å; I362-A446 HydrophobicContact CD1-CB 4.14Å; I362-L447 HydrophobicContact CD1-CD2 3.85Å; I362-K450 HydrophobicContact CG2-CB 4.42Å
363	N	91.6	Very high	78.6	Confident	39 Å²	39	55.7 Å²	55.7	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-67	-32.4	177.4	-70.8	-42	0	0	0	112.6	T359 H360 L361 C365 D366	T359-N363 VanDerWaalsContact O-CG 3.22Å; T359-N363 PolarHBondContact O-N 2.88Å; T359-N363 PolarHBondContact O-ND2 3.22Å; H360-N363 PolarHBondContact O-N 3.41Å; H360-N363 VanDerWaalsContact O-N 3.15Å; L361-N363 VanDerWaalsContact C-N 3.35Å; L361-N363 PolarHBondContact O-N 2.87Å; N363-C365 PolarHBondContact O-N 3.14Å; N363-D366 WeakPolarHBondContact O-CB 3.28Å; N363-D366 PolarHBondContact O-N 3.13Å; N363-D366 VanDerWaalsContact O-N 3.12Å
364	L	89.9	Confident	75.6	Confident	11 Å²	11	62.9 Å²	62.9	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-65.2	-26.3	176.1	-75.3	174.4	0	0	0	112.7	S320 H322 H360 L361 I362 D366 F405	S320-L364 WeakPolarHBondContact OG-CD1 3.22Å; H322-L364 PolarHBondContact CE1-O 3.41Å; H322-L364 PolarHBondContact ND1-O 3.08Å; H360-L364 WeakPolarHBondContact NE2-CD1 3.34Å; H360-L364 WeakPolarHBondContact O-CG 3.32Å; H360-L364 PolarHBondContact O-N 2.67Å; L361-L364 HydrophobicContact CD2-CD1 4.32Å; L361-L364 PolarHBondContact O-N 3.41Å; I362-L364 VanDerWaalsContact C-N 3.32Å; I362-L364 PolarHBondContact O-N 2.86Å; L364-D366 VanDerWaalsContact C-N 3.34Å; L364-F405 HydrophobicContact CB-CE1 4.11Å
365	C	87.6	Confident	72.6	Confident	14 Å²	14	67 Å²	67	10%	0.095	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.2	174.7	-63	0	0	0	0	113.4	L361 I362 N363 T367 V409	L361-C365 PolarHBondContact O-N 3.07Å; L361-C365 PolarHBondContact O-SG 3.13Å; I362-C365 PolarHBondContact O-N 3.23Å; N363-C365 PolarHBondContact O-N 3.14Å; C365-T367 PolarHBondContact O-N 3.39Å; C365-V409 VanDerWaalsContact SG-CG2 3.56Å
366	D	82.6	Confident	69.4	Low	23 Å²	23	69.8 Å²	69.8	12%	0.123	37%	0.372	C	S	.	.			trans	-83.9	98.2	-173.3	-170.3	-0.1	0	0	0	111.9	N363 L364 S368 S453	N363-D366 WeakPolarHBondContact O-CB 3.28Å; N363-D366 PolarHBondContact O-N 3.13Å; N363-D366 VanDerWaalsContact O-N 3.12Å; L364-D366 VanDerWaalsContact C-N 3.34Å; D366-S368 VanDerWaalsContact C-N 3.27Å; D366-S368 VanDerWaalsContact CG-OG 3.25Å; D366-S368 PolarHBondContact O-N 3.4Å; D366-S368 WeakPolarHBondContact OD1-CB 3.32Å; D366-S368 PolarHBondContact OD1-N 3.46Å; D366-S368 PolarHBondContact OD1-OG 3.16Å; D366-S368 PolarHBondContact OD2-OG 2.72Å; D366-S453 WeakPolarHBondContact OD2-CB 3.42Å; D366-S453 PolarHBondContact OD2-OG 2.71Å
367	T	68.8	Low	66.4	Low	50 Å²	50	69.7 Å²	69.7	31%	0.307	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-80.3	-4.6	176.1	58.4	0	0	0	0	113.4	C365 K369 Q370 Y402	C365-T367 PolarHBondContact O-N 3.39Å; T367-K369 PolarHBondContact O-N 3.17Å; T367-K369 VanDerWaalsContact O-N 3.12Å; T367-Q370 PolarHBondContact O-N 3.44Å; T367-Y402 HydrophobicContact CG2-CG 4.18Å
368	S	63.6	Low	63.2	Low	64 Å²	64	78.4 Å²	78.4	45%	0.448	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26	-177.5	69.4	0	0	0	0	113.2	D366	D366-S368 VanDerWaalsContact C-N 3.27Å; D366-S368 VanDerWaalsContact CG-OG 3.25Å; D366-S368 PolarHBondContact O-N 3.4Å; D366-S368 WeakPolarHBondContact OD1-CB 3.32Å; D366-S368 PolarHBondContact OD1-N 3.46Å; D366-S368 PolarHBondContact OD1-OG 3.16Å; D366-S368 PolarHBondContact OD2-OG 2.72Å
369	K	56.4	Low	60	Low	152 Å²	152	84.5 Å²	84.5	66%	0.661	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-75.5	-21.7	177.2	-65.5	-178.9	-176	170.7	0	113.8	T367	T367-K369 PolarHBondContact O-N 3.17Å; T367-K369 VanDerWaalsContact O-N 3.12Å
370	Q	50.5	Low	56.9	Low	104 Å²	104	92.4 Å²	92.4	49%	0.486	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-23.5	178.9	-71.3	179.9	-7.5	0	0	112.1	T367 S372	T367-Q370 PolarHBondContact O-N 3.44Å; Q370-S372 VanDerWaalsContact C-N 3.31Å; Q370-S372 PolarHBondContact O-N 3.3Å
371	K	43	Very low	53.8	Low	155 Å²	155	95 Å²	95	67%	0.674	51%	0.507	S	S	*	.			trans	-78.6	74.8	174.6	-70.6	-173.3	176.5	-175.9	0	111.9	S373	K371-S373 VanDerWaalsContact C-N 3.35Å
372	S	31.1	Very low	50.7	Low	113 Å²	113	101.6 Å²	101.6	79%	0.79	55%	0.55	S	S	*	*			trans	-94.7	32.2	167.7	-62.6	0	0	0	0	113.6	Q370	Q370-S372 VanDerWaalsContact C-N 3.31Å; Q370-S372 PolarHBondContact O-N 3.3Å
373	S	30.7	Very low	47.6	Very low	99 Å²	99	104.5 Å²	104.5	69%	0.692	58%	0.581	S	S	*	*			trans	-139	102.1	159.9	50	0	0	0	0	106.5	K371	K371-S373 VanDerWaalsContact C-N 3.35Å
374	L	32.2	Very low	44.6	Very low	154 Å²	154	109.6 Å²	109.6	81%	0.806	61%	0.608	S	S	*	*				38.7	108.6	85.8	-87.4	161.2	0	0	0	112.7
375	I	33	Very low	41.7	Very low	134 Å²	134	117.7 Å²	117.7	69%	0.687	65%	0.646	S	S	*	*			trans	99.2	113	146.3	-56.7	161.1	0	0	0	116.2
376	D	28.3	Very low	39	Very low	137 Å²	137	124.1 Å²	124.1	73%	0.733	68%	0.678	S	S	*	*			trans	73.6	132.1	146.6	-56.7	-13.6	0	0	0	122.7
377	L	33.7	Very low	36.5	Very low	137 Å²	137	129.4 Å²	129.4	72%	0.717	71%	0.705	S	S	*	*			trans	137.3	74.6	140.2	-73.4	144.1	0	0	0	110.2	N379	L377-N379 VanDerWaalsContact C-N 3.34Å; L377-N379 HydrophobicContact CD2-CB 4.2Å
378	E	28.2	Very low	34.6	Very low	184 Å²	184	132.8 Å²	132.8	86%	0.86	73%	0.726	S	S	*	*				-11.3	94.2	87.7	-71.4	-172.1	174.8	0	0	113.2
379	N	28.9	Very low	33.1	Very low	127 Å²	127	136.2 Å²	136.2	68%	0.679	74%	0.744	S	S	*	*			trans	140.4	101.9	159	-72.6	-35.5	0	0	0	108.5	L377	L377-N379 VanDerWaalsContact C-N 3.34Å; L377-N379 HydrophobicContact CD2-CB 4.2Å
380	H	31.8	Very low	31.8	Very low	187 Å²	187	137.3 Å²	137.3	87%	0.866	76%	0.757	S	S	*	*				-164.5	124.5	125.1	-91.2	-55	0	0	0	110.2
381	S	29.7	Very low	30.8	Very low	106 Å²	106	136 Å²	136	74%	0.741	77%	0.772	S	S	*	*			trans	-62.9	156.4	-170.9	-51.6	0	0	0	0	114.4	G383	S381-G383 PolarHBondContact O-N 3.37Å
382	P	29.7	Very low	30.2	Very low	140 Å²	140	134 Å²	134	91%	0.909	77%	0.768	S	S	*	*	S	Bend	trans	-75.1	109	174.1	31.4	-29.5	0	0	0	108.6
383	G	27.4	Very low	30.3	Very low	65 Å²	65	133.9 Å²	133.9	67%	0.67	76%	0.758	S	S	*	*			trans	165.3	2.3	176.8	0	0	0	0	0	120.2	S381 Q385	S381-G383 PolarHBondContact O-N 3.37Å; G383-Q385 PolarHBondContact O-N 3.03Å
384	N	30.4	Very low	30.6	Very low	145 Å²	145	132.9 Å²	132.9	78%	0.775	75%	0.749	S	S	*	*			trans	-94.7	98.5	178.1	-82.4	-0.2	0	0	0	112.2	I386	N384-I386 HydrophobicContact CB-CG1 4.25Å; N384-I386 PolarHBondContact O-N 2.77Å
385	Q	27.9	Very low	30.6	Very low	182 Å²	182	133.4 Å²	133.4	85%	0.85	75%	0.746	S	S	*	*			trans	-54.9	111.9	145	-68.3	171.4	-0.3	0	0	107.8	G383	G383-Q385 PolarHBondContact O-N 3.03Å
386	I	31.8	Very low	31	Very low	149 Å²	149	133.9 Å²	133.9	76%	0.764	75%	0.745	S	S	*	*			trans	-106.7	99.2	164.8	-62.7	-179.5	0	0	0	107	N384	N384-I386 HydrophobicContact CB-CG1 4.25Å; N384-I386 PolarHBondContact O-N 2.77Å
387	L	29.9	Very low	31.9	Very low	133 Å²	133	131.9 Å²	131.9	70%	0.696	73%	0.731	S	S	*	*			trans	-55.2	139.5	154.6	-80.1	102.3	0	0	0	109.8
388	V	28.5	Very low	32.9	Very low	122 Å²	122	128.4 Å²	128.4	74%	0.739	71%	0.713	S	S	*	*			trans	35.2	113.7	136	-171.2	0	0	0	0	116.3
389	T	32.1	Very low	34.5	Very low	135 Å²	135	124.3 Å²	124.3	83%	0.828	70%	0.697	S	S	*	*				-173	135.3	124.7	22.3	0	0	0	0	111	G391	T389-G391 PolarHBondContact O-N 3.25Å
390	D	28.4	Very low	36.7	Very low	176 Å²	176	119.9 Å²	119.9	94%	0.941	68%	0.681	S	S	*	*	S	Bend	trans	-55.9	124.1	177.2	-69.8	-52.1	0	0	0	112.6
391	G	29.3	Very low	39.1	Very low	76 Å²	76	113.7 Å²	113.7	78%	0.784	65%	0.653	S	S	*	*			trans	138	60.9	170.8	0	0	0	0	0	113.8	T389 D393	T389-G391 PolarHBondContact O-N 3.25Å; G391-D393 PolarHBondContact O-N 3.21Å
392	L	31.6	Very low	41.5	Very low	113 Å²	113	109.9 Å²	109.9	59%	0.592	62%	0.622	S	S	*	*			trans	-77.9	122.1	175.1	-78.1	166.2	0	0	0	110.4	Q397	L392-Q397 HydrophobicContact CB-CG 4Å; L392-Q397 HydrophobicContact CD1-CG 4.08Å
393	D	33	Very low	44	Very low	111 Å²	111	107.5 Å²	107.5	59%	0.594	60%	0.596	S	S	*	*			trans	-55.1	129.5	168.5	-128.3	-26.7	0	0	0	108.9	G391 F395 E396	G391-D393 PolarHBondContact O-N 3.21Å; D393-F395 PolarHBondContact O-N 2.76Å; D393-E396 PolarHBondContact O-N 2.8Å
394	P	36	Very low	46.9	Very low	78 Å²	78	106.4 Å²	106.4	51%	0.506	57%	0.574	S	S	.	*	H	α-helix	trans	-57.6	-21.7	-175.1	-24.4	32.1	0	0	0	114.1	N398	P394-N398 VanDerWaalsContact O-CG 3.24Å; P394-N398 PolarHBondContact O-N 3.39Å; P394-N398 PolarHBondContact O-ND2 3.21Å; P394-N398 VanDerWaalsContact O-ND2 3.08Å
395	F	32.9	Very low	49.8	Very low	165 Å²	165	99.7 Å²	99.7	72%	0.724	54%	0.538	S	S	*	.	H	α-helix	trans	-77	-36.2	-178.3	-78.2	-85.3	0	0	0	113.6	D393 N398 D399	D393-F395 PolarHBondContact O-N 2.76Å; F395-N398 PolarHBondContact O-N 3.31Å; F395-D399 PolarHBondContact O-N 3.37Å
396	E	40.8	Very low	52.9	Low	144 Å²	144	91.2 Å²	91.2	67%	0.673	50%	0.499	S	S	*	.	H	α-helix	trans	-72.7	-31.8	177.8	-70.3	-169.5	163.9	0	0	112.2	D393 N398	D393-E396 PolarHBondContact O-N 2.8Å; E396-N398 VanDerWaalsContact C-N 3.31Å; E396-N398 PolarHBondContact O-N 2.94Å
397	Q	47.8	Very low	55.8	Low	94 Å²	94	84.4 Å²	84.4	44%	0.439	46%	0.464	S	S	.	.	H	α-helix	trans	-66.2	-34.7	173.2	-70.5	-173.5	-4.2	0	0	112.5	L392 Q401	L392-Q397 HydrophobicContact CB-CG 4Å; L392-Q397 HydrophobicContact CD1-CG 4.08Å; Q397-Q401 PolarHBondContact O-N 2.98Å
398	N	55.1	Low	58.9	Low	65 Å²	65	78 Å²	78	35%	0.348	43%	0.43	S	S	.	.	H	α-helix	trans	-67.6	-42.5	-177.6	-78.3	-26	0	0	0	111.8	P394 F395 E396 G400 Q401 Y402	P394-N398 VanDerWaalsContact O-CG 3.24Å; P394-N398 PolarHBondContact O-N 3.39Å; P394-N398 PolarHBondContact O-ND2 3.21Å; P394-N398 VanDerWaalsContact O-ND2 3.08Å; F395-N398 PolarHBondContact O-N 3.31Å; E396-N398 VanDerWaalsContact C-N 3.31Å; E396-N398 PolarHBondContact O-N 2.94Å; N398-G400 VanDerWaalsContact C-N 3.29Å; N398-G400 PolarHBondContact O-N 2.86Å; N398-Q401 PolarHBondContact O-N 3.35Å; N398-Q401 VanDerWaalsContact O-N 3.08Å; N398-Y402 HydrophobicContact CB-CE2 4.21Å; N398-Y402 WeakPolarHBondContact O-CD2 3.44Å; N398-Y402 PolarHBondContact O-N 2.87Å; N398-Y402 VanDerWaalsContact O-N 3.15Å
399	D	60.5	Low	62.1	Low	97 Å²	97	72.5 Å²	72.5	52%	0.519	40%	0.397	S	S	.	.	H	α-helix	trans	-60.2	-38.7	179.8	-86	-1.7	0	0	0	112.3	F395 Q401 Y402 Y403	F395-D399 PolarHBondContact O-N 3.37Å; D399-Q401 PolarHBondContact O-N 2.9Å; D399-Y402 PolarHBondContact O-N 3.29Å; D399-Y403 PolarHBondContact O-N 3.06Å
400	G	76.2	Confident	65.1	Low	34 Å²	34	66 Å²	66	35%	0.351	36%	0.357	S	S	.	.	H	α-helix	trans	-62.4	-40.8	174.2	0	0	0	0	0	112.9	N398 Y403 M404	N398-G400 VanDerWaalsContact C-N 3.29Å; N398-G400 PolarHBondContact O-N 2.86Å; G400-Y403 PolarHBondContact O-N 2.9Å; G400-M404 VanDerWaalsContact O-CG 3.32Å; G400-M404 WeakPolarHBondContact O-CG 3.19Å; G400-M404 PolarHBondContact O-N 3.3Å
401	Q	81.1	Confident	68.3	Low	58 Å²	58	57.7 Å²	57.7	27%	0.271	31%	0.312	S	S	.	.	H	α-helix	trans	-67.2	-39.3	179.6	-68.7	-177.1	31.6	0	0	112.7	I325 Q397 N398 D399 M404 F405 L532	I325-Q401 HydrophobicContact CG2-CB 4.5Å; Q397-Q401 PolarHBondContact O-N 2.98Å; N398-Q401 PolarHBondContact O-N 3.35Å; N398-Q401 VanDerWaalsContact O-N 3.08Å; D399-Q401 PolarHBondContact O-N 2.9Å; Q401-M404 PolarHBondContact O-N 3.09Å; Q401-F405 VanDerWaalsContact O-CB 3.27Å; Q401-F405 WeakPolarHBondContact O-CB 3.49Å; Q401-F405 PolarHBondContact O-N 3.19Å; Q401-L532 HydrophobicContact CB-CD1 4.18Å; Q401-L532 HydrophobicContact CG-CD1 4.05Å
402	Y	80.9	Confident	71.5	Confident	25 Å²	25	54 Å²	54	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-43	176.5	-72.9	-75.8	0	0	0	111.8	H322 I325 T367 N398 D399 F405 S406	H322-Y402 HydrophobicContact CB-CE1 4.02Å; H322-Y402 AromaticContact ND1-CE1 3.51Å; I325-Y402 HydrophobicContact CD1-CD1 3.51Å; I325-Y402 HydrophobicContact CD1-CD2 4.42Å; I325-Y402 HydrophobicContact CD1-CE1 3.3Å; I325-Y402 HydrophobicContact CD1-CE2 4.23Å; I325-Y402 HydrophobicContact CD1-CG 4.07Å; I325-Y402 HydrophobicContact CG1-CE1 4.42Å; T367-Y402 HydrophobicContact CG2-CG 4.18Å; N398-Y402 HydrophobicContact CB-CE2 4.21Å; N398-Y402 WeakPolarHBondContact O-CD2 3.44Å; N398-Y402 PolarHBondContact O-N 2.87Å; N398-Y402 VanDerWaalsContact O-N 3.15Å; D399-Y402 PolarHBondContact O-N 3.29Å; Y402-F405 WeakPolarHBondContact O-CB 3.44Å; Y402-F405 PolarHBondContact O-N 3.47Å; Y402-S406 PolarHBondContact O-N 3.46Å; Y402-S406 VanDerWaalsContact O-N 3.07Å
403	Y	82.8	Confident	74.6	Confident	90 Å²	90	48.7 Å²	48.7	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-45.5	175.5	-173.6	-102.4	0	0	0	111.1	D399 G400 F405 S406 Y407 L456	D399-Y403 PolarHBondContact O-N 3.06Å; G400-Y403 PolarHBondContact O-N 2.9Å; Y403-F405 VanDerWaalsContact C-N 3.3Å; Y403-F405 PolarHBondContact O-N 2.91Å; Y403-S406 WeakPolarHBondContact O-CB 3.39Å; Y403-S406 PolarHBondContact O-N 3.43Å; Y403-S406 PolarHBondContact O-OG 2.65Å; Y403-Y407 AromaticContact CD1-CE2 3.88Å; Y403-Y407 HydrophobicContact CD1-CE2 3.88Å; Y403-Y407 AromaticContact CE1-CE2 3.44Å; Y403-Y407 HydrophobicContact CE1-CE2 3.44Å; Y403-Y407 VanDerWaalsContact CE1-CE2 3.44Å; Y403-Y407 AromaticContact CE1-CZ 3.84Å; Y403-Y407 WeakPolarHBondContact CE1-OH 3.45Å; Y403-Y407 PolarHBondContact OH-OH 3.03Å; Y403-Y407 VanDerWaalsContact OH-OH 3.04Å; Y403-L456 HydrophobicContact CD2-CD1 4.2Å; Y403-L456 HydrophobicContact CE2-CD1 3.75Å
404	M	87.4	Confident	77.6	Confident	42 Å²	42	43.4 Å²	43.4	21%	0.207	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-38	175	-69.2	177.6	-175.4	0	0	112.6	G400 Q401 S406 Y407 L532 E533 Q536	G400-M404 VanDerWaalsContact O-CG 3.32Å; G400-M404 WeakPolarHBondContact O-CG 3.19Å; G400-M404 PolarHBondContact O-N 3.3Å; Q401-M404 PolarHBondContact O-N 3.09Å; M404-S406 VanDerWaalsContact C-N 3.29Å; M404-S406 PolarHBondContact O-N 2.8Å; M404-Y407 WeakPolarHBondContact O-CB 3.42Å; M404-Y407 PolarHBondContact O-N 3.31Å; M404-L532 HydrophobicContact CB-CB 3.88Å; M404-L532 HydrophobicContact CB-CD2 3.98Å; M404-L532 HydrophobicContact CB-CG 4.44Å; M404-L532 HydrophobicContact SD-CB 4Å; M404-E533 HydrophobicContact CE-CG 4.41Å; M404-E533 HydrophobicContact SD-CG 4.37Å; M404-Q536 HydrophobicContact CG-CB 4.35Å
405	F	92	Very high	80.4	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-34.1	177.5	179.8	-111	0	0	0	112.6	I325 L328 A329 L332 L364 Q401 Y402 Y403 Y407 A408 V409 L532	I325-F405 HydrophobicContact CG2-CB 3.6Å; I325-F405 HydrophobicContact CG2-CD2 3.79Å; I325-F405 HydrophobicContact CG2-CG 3.8Å; L328-F405 HydrophobicContact CB-CE2 3.58Å; L328-F405 HydrophobicContact CB-CZ 4.08Å; L328-F405 HydrophobicContact CD1-CZ 4.35Å; A329-F405 HydrophobicContact CB-CD2 4.36Å; L332-F405 HydrophobicContact CD1-CD2 4.43Å; L332-F405 HydrophobicContact CD1-CE2 3.54Å; L332-F405 HydrophobicContact CD1-CZ 3.84Å; L364-F405 HydrophobicContact CB-CE1 4.11Å; Q401-F405 VanDerWaalsContact O-CB 3.27Å; Q401-F405 WeakPolarHBondContact O-CB 3.49Å; Q401-F405 PolarHBondContact O-N 3.19Å; Y402-F405 WeakPolarHBondContact O-CB 3.44Å; Y402-F405 PolarHBondContact O-N 3.47Å; Y403-F405 VanDerWaalsContact C-N 3.3Å; Y403-F405 PolarHBondContact O-N 2.91Å; F405-Y407 PolarHBondContact O-N 3.08Å; F405-A408 HydrophobicContact CD2-CB 4.43Å; F405-A408 WeakPolarHBondContact O-CA 3.15Å; F405-A408 VanDerWaalsContact O-CB 3.3Å; F405-A408 WeakPolarHBondContact O-CB 3.25Å; F405-A408 PolarHBondContact O-N 3.09Å; F405-V409 HydrophobicContact CD1-CG2 4.16Å; F405-V409 HydrophobicContact CE1-CG2 3.6Å; F405-V409 HydrophobicContact CE2-CG2 4.3Å; F405-V409 HydrophobicContact CZ-CG2 3.69Å; F405-V409 PolarHBondContact O-N 2.87Å; F405-L532 HydrophobicContact CB-CD2 4.03Å
406	S	92.2	Very high	83.4	Confident	5 Å²	5	31.9 Å²	31.9	4%	0.035	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-32	176.8	77.9	0	0	0	0	112.8	Y402 Y403 M404 V409 A410 L456 I460	Y402-S406 PolarHBondContact O-N 3.46Å; Y402-S406 VanDerWaalsContact O-N 3.07Å; Y403-S406 WeakPolarHBondContact O-CB 3.39Å; Y403-S406 PolarHBondContact O-N 3.43Å; Y403-S406 PolarHBondContact O-OG 2.65Å; M404-S406 VanDerWaalsContact C-N 3.29Å; M404-S406 PolarHBondContact O-N 2.8Å; S406-V409 PolarHBondContact O-N 3Å; S406-A410 VanDerWaalsContact O-CB 3.32Å; S406-A410 WeakPolarHBondContact O-CB 3.42Å; S406-A410 PolarHBondContact O-N 2.85Å; S406-L456 VanDerWaalsContact CB-CD2 3.46Å; S406-L456 WeakPolarHBondContact OG-CD2 3.39Å; S406-I460 WeakPolarHBondContact OG-CD1 3.49Å
407	Y	93.3	Very high	85.9	Confident	5 Å²	5	25 Å²	25	2%	0.02	13%	0.128	C	C	.	.	H	α-helix	trans	-68	-34.3	172.2	-71.1	-66.3	0	0	0	113	Y403 M404 F405 A410 L411 I460 Q536 W539	Y403-Y407 AromaticContact CD1-CE2 3.88Å; Y403-Y407 HydrophobicContact CD1-CE2 3.88Å; Y403-Y407 AromaticContact CE1-CE2 3.44Å; Y403-Y407 HydrophobicContact CE1-CE2 3.44Å; Y403-Y407 VanDerWaalsContact CE1-CE2 3.44Å; Y403-Y407 AromaticContact CE1-CZ 3.84Å; Y403-Y407 WeakPolarHBondContact CE1-OH 3.45Å; Y403-Y407 PolarHBondContact OH-OH 3.03Å; Y403-Y407 VanDerWaalsContact OH-OH 3.04Å; M404-Y407 WeakPolarHBondContact O-CB 3.42Å; M404-Y407 PolarHBondContact O-N 3.31Å; F405-Y407 PolarHBondContact O-N 3.08Å; Y407-A410 PolarHBondContact O-N 2.87Å; Y407-L411 WeakPolarHBondContact O-CB 3.42Å; Y407-L411 PolarHBondContact O-N 3.42Å; Y407-I460 HydrophobicContact CD1-CD1 3.89Å; Y407-I460 HydrophobicContact CD1-CG1 4.1Å; Y407-I460 HydrophobicContact CD1-CG2 3.85Å; Y407-I460 HydrophobicContact CE1-CB 4.47Å; Y407-I460 HydrophobicContact CE1-CD1 4.01Å; Y407-I460 HydrophobicContact CE1-CG1 3.79Å; Y407-I460 HydrophobicContact CE1-CG2 3.92Å; Y407-I460 HydrophobicContact CG-CD1 4.44Å; Y407-Q536 HydrophobicContact CD2-CB 4.07Å; Y407-Q536 HydrophobicContact CD2-CG 3.95Å; Y407-Q536 HydrophobicContact CE2-CB 4.43Å; Y407-Q536 HydrophobicContact CE2-CG 3.8Å; Y407-W539 VanDerWaalsContact CB-CD1 3.49Å; Y407-W539 HydrophobicContact CD1-CB 3.63Å; Y407-W539 AromaticContact CD1-CD1 3.26Å; Y407-W539 AromaticContact CD1-CD2 3.7Å; Y407-W539 HydrophobicContact CD1-CD2 3.7Å; Y407-W539 AromaticContact CD1-CE2 4Å; Y407-W539 HydrophobicContact CD1-CE3 4.46Å; Y407-W539 AromaticContact CD1-CG 3.25Å; Y407-W539 HydrophobicContact CD1-CG 3.25Å; Y407-W539 AromaticContact CD1-NE1 3.76Å; Y407-W539 HydrophobicContact CE1-CB 3.58Å; Y407-W539 HydrophobicContact CE1-CD2 4.3Å; Y407-W539 AromaticContact CE1-CG 3.75Å; Y407-W539 HydrophobicContact CE1-CG 3.75Å; Y407-W539 HydrophobicContact CG-CB 4.5Å; Y407-W539 AromaticContact CG-CD1 3.59Å; Y407-W539 HydrophobicContact CG-CG 4.05Å; Y407-W539 PolarHBondContact O-NE1 3.47Å
408	A	94.5	Very high	87.9	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.6	-42.6	174.9	0	0	0	0	0	111.6	A329 L332 F405 L411 F412 I535	A329-A408 HydrophobicContact CB-CB 4.25Å; L332-A408 HydrophobicContact CB-CB 4.28Å; L332-A408 HydrophobicContact CD1-CB 3.98Å; F405-A408 HydrophobicContact CD2-CB 4.43Å; F405-A408 WeakPolarHBondContact O-CA 3.15Å; F405-A408 VanDerWaalsContact O-CB 3.3Å; F405-A408 WeakPolarHBondContact O-CB 3.25Å; F405-A408 PolarHBondContact O-N 3.09Å; A408-L411 PolarHBondContact O-N 3.28Å; A408-F412 PolarHBondContact O-N 3.43Å; A408-F412 VanDerWaalsContact O-N 3.11Å; A408-I535 HydrophobicContact CB-CD1 3.47Å; A408-I535 VanDerWaalsContact CB-CD1 3.47Å; A408-I535 HydrophobicContact CB-CG2 4.17Å
409	V	95.7	Very high	89.6	Confident	5 Å²	5	18.3 Å²	18.3	3%	0.03	10%	0.095	C	C	.	.	H	α-helix	trans	-64	-46.5	173.3	172.2	0	0	0	0	110.3	L332 L361 C365 F405 S406 L411 F412 L413	L332-V409 HydrophobicContact CD1-CG2 3.71Å; L361-V409 HydrophobicContact CB-CG1 3.84Å; L361-V409 HydrophobicContact CB-CG2 4.36Å; C365-V409 VanDerWaalsContact SG-CG2 3.56Å; F405-V409 HydrophobicContact CD1-CG2 4.16Å; F405-V409 HydrophobicContact CE1-CG2 3.6Å; F405-V409 HydrophobicContact CE2-CG2 4.3Å; F405-V409 HydrophobicContact CZ-CG2 3.69Å; F405-V409 PolarHBondContact O-N 2.87Å; S406-V409 PolarHBondContact O-N 3Å; V409-L411 VanDerWaalsContact C-N 3.3Å; V409-L411 PolarHBondContact O-N 2.88Å; V409-F412 PolarHBondContact O-N 2.97Å; V409-L413 HydrophobicContact CG1-CD1 3.7Å; V409-L413 HydrophobicContact CG1-CG 4.01Å; V409-L413 WeakPolarHBondContact O-CB 3.5Å; V409-L413 VanDerWaalsContact O-CG 3.26Å; V409-L413 WeakPolarHBondContact O-CG 3.42Å; V409-L413 PolarHBondContact O-N 2.89Å
410	A	95.8	Very high	90.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.7	-41.4	178.2	0	0	0	0	0	112.3	S406 Y407 L413 L414 F457 I460 W539	S406-A410 VanDerWaalsContact O-CB 3.32Å; S406-A410 WeakPolarHBondContact O-CB 3.42Å; S406-A410 PolarHBondContact O-N 2.85Å; Y407-A410 PolarHBondContact O-N 2.87Å; A410-L413 PolarHBondContact O-N 3.18Å; A410-L414 VanDerWaalsContact O-CB 3.27Å; A410-L414 WeakPolarHBondContact O-CB 3.15Å; A410-L414 PolarHBondContact O-N 3.39Å; A410-F457 HydrophobicContact CB-CD2 3.77Å; A410-F457 HydrophobicContact CB-CE2 4.04Å; A410-I460 HydrophobicContact CB-CD1 4.36Å; A410-I460 HydrophobicContact CB-CG2 4.02Å; A410-W539 HydrophobicContact CB-CH2 3.88Å; A410-W539 HydrophobicContact CB-CZ2 3.81Å
411	L	95.6	Very high	90.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-49.3	178.2	-178	69.6	0	0	0	110.7	Y407 A408 V409 L414 A415 P471 I472 V475 I535 L538 W539	Y407-L411 WeakPolarHBondContact O-CB 3.42Å; Y407-L411 PolarHBondContact O-N 3.42Å; A408-L411 PolarHBondContact O-N 3.28Å; V409-L411 VanDerWaalsContact C-N 3.3Å; V409-L411 PolarHBondContact O-N 2.88Å; L411-L414 PolarHBondContact O-N 3.01Å; L411-A415 WeakPolarHBondContact O-CB 3.45Å; L411-A415 PolarHBondContact O-N 3.38Å; L411-P471 HydrophobicContact CD1-CB 3.98Å; L411-P471 HydrophobicContact CD1-CG 4.39Å; L411-I472 HydrophobicContact CD1-CG2 4.18Å; L411-V475 HydrophobicContact CD2-CB 4.36Å; L411-V475 HydrophobicContact CD2-CG2 4.02Å; L411-I535 HydrophobicContact CD2-CG2 4.42Å; L411-L538 HydrophobicContact CD1-CD1 4.48Å; L411-L538 HydrophobicContact CD2-CD1 4.1Å; L411-W539 HydrophobicContact CB-CZ2 3.93Å; L411-W539 HydrophobicContact CD1-CZ2 4.39Å
412	F	96.8	Very high	89.9	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-47.1	179.3	174.5	-104.9	0	0	0	112.1	I314 L332 L335 S336 I339 L353 L357 F358 L361 A408 V409 L414 A415 C416	I314-F412 HydrophobicContact CD1-CZ 3.94Å; L332-F412 HydrophobicContact CB-CB 4.38Å; L332-F412 HydrophobicContact CD2-CB 3.73Å; L332-F412 HydrophobicContact CD2-CD1 3.73Å; L332-F412 HydrophobicContact CD2-CD2 4.22Å; L332-F412 HydrophobicContact CD2-CE1 4.4Å; L332-F412 HydrophobicContact CD2-CG 3.61Å; L335-F412 HydrophobicContact CB-CD2 3.84Å; L335-F412 HydrophobicContact CB-CE2 3.68Å; L335-F412 HydrophobicContact CD1-CE2 3.94Å; L335-F412 HydrophobicContact CD1-CZ 4.45Å; L335-F412 HydrophobicContact CG-CE2 4.4Å; S336-F412 WeakPolarHBondContact OG-CA 3.3Å; S336-F412 PolarHBondContact OG-N 3.47Å; I339-F412 HydrophobicContact CD1-CD2 4.3Å; I339-F412 HydrophobicContact CD1-CE2 3.68Å; L353-F412 HydrophobicContact CD2-CZ 3.86Å; L357-F412 HydrophobicContact CD2-CE1 4.17Å; L357-F412 HydrophobicContact CD2-CZ 4.21Å; F358-F412 HydrophobicContact CD1-CE1 4.5Å; F358-F412 HydrophobicContact CE1-CE1 4.13Å; L361-F412 HydrophobicContact CD1-CD1 3.57Å; L361-F412 HydrophobicContact CD1-CE1 3.56Å; A408-F412 PolarHBondContact O-N 3.43Å; A408-F412 VanDerWaalsContact O-N 3.11Å; V409-F412 PolarHBondContact O-N 2.97Å; F412-L414 VanDerWaalsContact C-N 3.31Å; F412-L414 PolarHBondContact O-N 3.31Å; F412-A415 PolarHBondContact O-N 3.28Å; F412-C416 VanDerWaalsContact CE2-SG 3.57Å; F412-C416 WeakPolarHBondContact CZ-SG 3.38Å; F412-C416 PolarHBondContact O-N 3.39Å; F412-C416 PolarHBondContact O-SG 3.4Å
413	L	97.1	Very high	89	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.1	-39.2	179.4	-67	-178.9	0	0	0	111.8	F358 L361 I362 V409 A410 C416 N417 L443 F457	F358-L413 HydrophobicContact CB-CD2 3.92Å; F358-L413 HydrophobicContact CD1-CD2 3.29Å; F358-L413 HydrophobicContact CE1-CD2 3.91Å; F358-L413 HydrophobicContact CG-CD2 3.68Å; L361-L413 HydrophobicContact CD1-CD2 4.41Å; I362-L413 HydrophobicContact CD1-CD1 4.35Å; I362-L413 HydrophobicContact CG1-CD1 3.97Å; V409-L413 HydrophobicContact CG1-CD1 3.7Å; V409-L413 HydrophobicContact CG1-CG 4.01Å; V409-L413 WeakPolarHBondContact O-CB 3.5Å; V409-L413 VanDerWaalsContact O-CG 3.26Å; V409-L413 WeakPolarHBondContact O-CG 3.42Å; V409-L413 PolarHBondContact O-N 2.89Å; A410-L413 PolarHBondContact O-N 3.18Å; L413-C416 PolarHBondContact O-N 3.28Å; L413-N417 WeakPolarHBondContact O-CB 3.3Å; L413-N417 PolarHBondContact O-N 3.36Å; L413-L443 HydrophobicContact CB-CD1 4.23Å; L413-L443 HydrophobicContact CB-CD2 4.31Å; L413-L443 HydrophobicContact CD1-CD1 4Å; L413-L443 HydrophobicContact CD2-CD1 4.18Å; L413-L443 HydrophobicContact CG-CD1 4.36Å; L413-F457 HydrophobicContact CB-CE2 3.99Å; L413-F457 HydrophobicContact CB-CZ 4.34Å; L413-F457 HydrophobicContact CD1-CD2 4.16Å; L413-F457 HydrophobicContact CD1-CE2 4.15Å
414	L	95.4	Very high	88.1	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-67.3	-42.5	176.7	-167.5	61.3	0	0	0	111.5	A410 L411 F412 N417 W418 I461 P471 I472 W539 S567 V568 F571	A410-L414 VanDerWaalsContact O-CB 3.27Å; A410-L414 WeakPolarHBondContact O-CB 3.15Å; A410-L414 PolarHBondContact O-N 3.39Å; L411-L414 PolarHBondContact O-N 3.01Å; F412-L414 VanDerWaalsContact C-N 3.31Å; F412-L414 PolarHBondContact O-N 3.31Å; L414-N417 PolarHBondContact O-N 2.8Å; L414-W418 PolarHBondContact O-N 3.29Å; L414-I461 HydrophobicContact CD1-CD1 4.13Å; L414-I461 HydrophobicContact CD2-CD1 4.2Å; L414-P471 HydrophobicContact CD2-CG 4.17Å; L414-I472 HydrophobicContact CB-CG2 3.87Å; L414-I472 HydrophobicContact CD2-CG2 3.83Å; L414-I472 HydrophobicContact CG-CG2 3.79Å; L414-W539 HydrophobicContact CD2-CH2 4.35Å; L414-S567 WeakPolarHBondContact CD1-O 3.43Å; L414-S567 VanDerWaalsContact CD2-OG 3.28Å; L414-S567 WeakPolarHBondContact CD2-OG 3.48Å; L414-S567 WeakPolarHBondContact CG-OG 3.36Å; L414-V568 HydrophobicContact CD2-CG2 3.74Å; L414-F571 HydrophobicContact CD1-CB 3.62Å; L414-F571 HydrophobicContact CD1-CG 4.18Å
415	A	94.7	Very high	86.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-40.9	174	0	0	0	0	0	111.9	I339 L411 F412 W418 I472	I339-A415 HydrophobicContact CB-CB 4.4Å; I339-A415 HydrophobicContact CG2-CB 4.11Å; I339-A415 WeakPolarHBondContact CG2-O 3.29Å; L411-A415 WeakPolarHBondContact O-CB 3.45Å; L411-A415 PolarHBondContact O-N 3.38Å; F412-A415 PolarHBondContact O-N 3.28Å; A415-W418 WeakPolarHBondContact O-CB 3.24Å; A415-W418 PolarHBondContact O-N 3.43Å; A415-I472 HydrophobicContact CB-CB 4.45Å; A415-I472 HydrophobicContact CB-CG2 4.23Å
416	C	94.9	Very high	84.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-44.5	173.3	-66.3	0	0	0	0	111.7	L353 F358 F412 L413 W418 H419 F420	L353-C416 HydrophobicContact CD1-CB 4.32Å; F358-C416 HydrophobicContact CE1-CB 4Å; F358-C416 HydrophobicContact CZ-CB 3.65Å; F412-C416 VanDerWaalsContact CE2-SG 3.57Å; F412-C416 WeakPolarHBondContact CZ-SG 3.38Å; F412-C416 PolarHBondContact O-N 3.39Å; F412-C416 PolarHBondContact O-SG 3.4Å; L413-C416 PolarHBondContact O-N 3.28Å; C416-W418 PolarHBondContact O-N 3.34Å; C416-H419 PolarHBondContact O-N 2.89Å; C416-H419 VanDerWaalsContact O-N 3.14Å; C416-F420 HydrophobicContact CB-CE2 4.37Å; C416-F420 VanDerWaalsContact O-CD2 3.3Å; C416-F420 WeakPolarHBondContact O-CD2 3.3Å; C416-F420 WeakPolarHBondContact O-CE2 3.37Å
417	N	93.7	Very high	82.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.2	-32	179.6	-167.5	69.3	0	0	0	112.2	L413 L414 H419 F420 L443 K570 F571 D574	L413-N417 WeakPolarHBondContact O-CB 3.3Å; L413-N417 PolarHBondContact O-N 3.36Å; L414-N417 PolarHBondContact O-N 2.8Å; N417-H419 PolarHBondContact O-N 2.96Å; N417-F420 PolarHBondContact O-N 3.47Å; N417-L443 HydrophobicContact CB-CD2 3.77Å; N417-K570 PolarHBondContact ND2-NZ 3.41Å; N417-K570 PolarHBondContact O-NZ 2.87Å; N417-F571 HydrophobicContact CB-CD2 4.39Å; N417-D574 PolarHBondContact ND2-OD2 3.43Å; N417-D574 PolarHBondContact OD1-OD2 2.92Å
418	W	91.3	Very high	79.5	Confident	6 Å²	6	32.8 Å²	32.8	2%	0.023	19%	0.186	C	C	.	.	H	α-helix	trans	-51.1	-39	175.3	-172.1	-120.8	0	0	0	113.5	L414 A415 C416 I472 F473 L555 P556 P564 N565 K570	L414-W418 PolarHBondContact O-N 3.29Å; A415-W418 WeakPolarHBondContact O-CB 3.24Å; A415-W418 PolarHBondContact O-N 3.43Å; C416-W418 PolarHBondContact O-N 3.34Å; W418-I472 HydrophobicContact CB-CD1 4.1Å; W418-I472 HydrophobicContact CD2-CD1 4.24Å; W418-I472 HydrophobicContact CG-CD1 3.98Å; W418-F473 HydrophobicContact CD2-CZ 4.41Å; W418-F473 AromaticContact CE2-CZ 3.78Å; W418-F473 HydrophobicContact CH2-CZ 4.49Å; W418-F473 AromaticContact CZ2-CZ 3.83Å; W418-F473 HydrophobicContact CZ2-CZ 3.83Å; W418-F473 AromaticContact NE1-CZ 3.9Å; W418-L555 HydrophobicContact CH2-CD2 3.57Å; W418-L555 HydrophobicContact CZ2-CD2 3.68Å; W418-P556 HydrophobicContact CG-CG 4.4Å; W418-P564 VanDerWaalsContact CH2-O 3.3Å; W418-P564 WeakPolarHBondContact CH2-O 3.43Å; W418-P564 WeakPolarHBondContact CZ3-O 3.4Å; W418-N565 VanDerWaalsContact CH2-O 3.29Å; W418-N565 WeakPolarHBondContact CH2-O 3.24Å; W418-K570 HydrophobicContact CE3-CB 4.33Å; W418-K570 HydrophobicContact CE3-CG 4.24Å; W418-K570 HydrophobicContact CZ3-CB 4.01Å; W418-K570 HydrophobicContact CZ3-CG 4.12Å
419	H	90	Very high	76.4	Confident	13 Å²	13	37.7 Å²	37.7	6%	0.06	22%	0.22	C	C	.	.	H	α-helix	trans	-84	-18.4	-176.1	-76.2	-89.7	0	0	0	114.9	I339 S342 L345 C416 N417 C421	I339-H419 WeakPolarHBondContact CG2-CD2 3.43Å; I339-H419 PolarHBondContact O-NE2 3.42Å; S342-H419 PolarHBondContact O-CE1 3.42Å; S342-H419 PolarHBondContact OG-CE1 3.23Å; S342-H419 PolarHBondContact OG-NE2 2.96Å; L345-H419 HydrophobicContact CD1-CB 3.86Å; C416-H419 PolarHBondContact O-N 2.89Å; C416-H419 VanDerWaalsContact O-N 3.14Å; N417-H419 PolarHBondContact O-N 2.96Å; H419-C421 PolarHBondContact O-N 3Å
420	F	86.7	Confident	73.4	Confident	19 Å²	19	46 Å²	46	8%	0.083	26%	0.259	C	S	.	.	S	Bend	trans	-78.3	119.4	178.1	-64.6	-63	0	0	0	110.4	H350 L353 F358 C416 N417 S422 T441 P442 K570	H350-F420 AromaticContact CE1-CD1 3.95Å; H350-F420 AromaticContact CE1-CE1 3.6Å; H350-F420 AromaticContact NE2-CD1 3.9Å; H350-F420 AromaticContact NE2-CE1 3.8Å; L353-F420 HydrophobicContact CB-CZ 3.93Å; L353-F420 VanDerWaalsContact O-CZ 3.31Å; L353-F420 WeakPolarHBondContact O-CZ 3.31Å; F358-F420 AromaticContact CE2-CE2 3.94Å; F358-F420 HydrophobicContact CE2-CE2 3.94Å; F358-F420 HydrophobicContact CE2-CZ 4.45Å; F358-F420 HydrophobicContact CZ-CE2 4.01Å; F358-F420 HydrophobicContact CZ-CZ 4.44Å; C416-F420 HydrophobicContact CB-CE2 4.37Å; C416-F420 VanDerWaalsContact O-CD2 3.3Å; C416-F420 WeakPolarHBondContact O-CD2 3.3Å; C416-F420 WeakPolarHBondContact O-CE2 3.37Å; N417-F420 PolarHBondContact O-N 3.47Å; F420-S422 PolarHBondContact O-N 3.42Å; F420-T441 HydrophobicContact CB-CG2 3.79Å; F420-P442 HydrophobicContact CD1-CG 4.41Å; F420-P442 HydrophobicContact CE1-CG 3.9Å; F420-P442 HydrophobicContact CE2-CG 4.26Å; F420-P442 HydrophobicContact CZ-CG 3.84Å; F420-K570 PolarHBondContact O-NZ 2.88Å
421	C	70.2	Confident	70.3	Confident	75 Å²	75	52.4 Å²	52.4	51%	0.507	30%	0.298	S	S	.	.			trans	-68.7	121.2	179.6	-65.2	0	0	0	0	110.5	H419 N558	H419-C421 PolarHBondContact O-N 3Å; C421-N558 VanDerWaalsContact SG-CB 3.52Å; C421-N558 PolarHBondContact SG-O 3.49Å; C421-N558 VanDerWaalsContact SG-O 3.37Å
422	S	66.6	Low	67.3	Low	19 Å²	19	58.4 Å²	58.4	13%	0.133	34%	0.34	C	S	.	.			trans	-107.3	124.4	173.9	-55.2	0	0	0	0	109.3	F420 K570 D574	F420-S422 PolarHBondContact O-N 3.42Å; S422-K570 PolarHBondContact OG-NZ 3.36Å; S422-D574 WeakPolarHBondContact CB-OD1 3.26Å; S422-D574 PolarHBondContact OG-OD1 3.43Å; S422-D574 PolarHBondContact OG-OD2 3.12Å
423	V	62.3	Low	64.2	Low	116 Å²	116	62.4 Å²	62.4	70%	0.703	37%	0.368	S	S	*	.			trans	-94.6	104.3	171.5	-177.7	0	0	0	0	107.5	M425	V423-M425 HydrophobicContact CG1-CG 4.16Å; V423-M425 HydrophobicContact CG1-SD 3.98Å; V423-M425 PolarHBondContact O-N 3.27Å
424	Y	65	Low	61.4	Low	31 Å²	31	67.9 Å²	67.9	12%	0.122	40%	0.404	C	S	.	.			trans	-78.1	100.7	177.2	-46.3	-71.1	0	0	0	109.5	L426 C573 D574 L616 L620	Y424-L426 PolarHBondContact O-N 2.95Å; Y424-C573 HydrophobicContact CD1-CB 4.15Å; Y424-C573 HydrophobicContact CE1-CB 3.5Å; Y424-D574 WeakPolarHBondContact CE1-OD1 3.38Å; Y424-D574 PolarHBondContact OH-OD1 2.88Å; Y424-L616 HydrophobicContact CD2-CD2 3.92Å; Y424-L616 HydrophobicContact CE2-CD2 4.29Å; Y424-L616 HydrophobicContact CG-CD2 4.18Å; Y424-L620 HydrophobicContact CD1-CD1 4.02Å
425	M	52.4	Low	58.6	Low	132 Å²	132	74.3 Å²	74.3	65%	0.65	44%	0.438	S	S	*	.			trans	-87.8	100.2	174.5	-65.2	-67.5	-87.9	0	0	108.9	V423 N427	V423-M425 HydrophobicContact CG1-CG 4.16Å; V423-M425 HydrophobicContact CG1-SD 3.98Å; V423-M425 PolarHBondContact O-N 3.27Å; M425-N427 PolarHBondContact O-N 3.36Å
426	L	54.7	Low	56.2	Low	65 Å²	65	80.6 Å²	80.6	34%	0.34	48%	0.477	S	S	.	.			trans	-74.6	99.2	163.6	-68.9	167	0	0	0	106.5	Y424 S428 L616 N619 L620 I623 L657	Y424-L426 PolarHBondContact O-N 2.95Å; L426-S428 PolarHBondContact O-N 3.18Å; L426-L616 HydrophobicContact CD1-CD1 4.1Å; L426-L616 HydrophobicContact CD2-CD1 4.34Å; L426-L616 HydrophobicContact CG-CD1 4.31Å; L426-N619 HydrophobicContact CD2-CB 3.65Å; L426-L620 HydrophobicContact CD2-CD2 4.44Å; L426-I623 HydrophobicContact CD2-CD1 3.64Å; L426-L657 HydrophobicContact CD1-CD2 3.64Å
427	N	44.6	Very low	54.4	Low	118 Å²	118	85.5 Å²	85.5	63%	0.631	51%	0.507	S	S	*	.			trans	-29.2	104.9	-173.6	-70.3	-24.8	0	0	0	114.5	M425 S429 I623	M425-N427 PolarHBondContact O-N 3.36Å; N427-S429 PolarHBondContact O-N 3.34Å; N427-I623 WeakPolarHBondContact ND2-CG2 3.25Å
428	S	31.3	Very low	53.2	Low	89 Å²	89	89.5 Å²	89.5	62%	0.622	53%	0.528	S	S	*	.			trans	-75.3	101.9	142	53.5	0	0	0	0	105.9	L426 E430	L426-S428 PolarHBondContact O-N 3.18Å; S428-E430 PolarHBondContact O-N 2.97Å
429	S	30.4	Very low	52.9	Low	103 Å²	103	94.5 Å²	94.5	72%	0.72	56%	0.555	S	S	*	*	S	Bend	trans	-38.7	132.1	155.9	38.7	0	0	0	0	109.3	N427	N427-S429 PolarHBondContact O-N 3.34Å
430	E	31.7	Very low	52.8	Low	179 Å²	179	95.4 Å²	95.4	84%	0.836	56%	0.559	S	S	*	*			trans	95.3	72.1	179.2	-52.5	174.3	-169.7	0	0	116.3	S428	S428-E430 PolarHBondContact O-N 2.97Å
431	T	31.4	Very low	53	Low	134 Å²	134	94.9 Å²	94.9	82%	0.822	56%	0.558	S	S	*	*			trans	-168	77.7	131.7	29.8	0	0	0	0	108.7	S433	T431-S433 VanDerWaalsContact C-N 3.25Å; T431-S433 PolarHBondContact O-N 3.11Å
432	S	31.4	Very low	54.2	Low	127 Å²	127	92.7 Å²	92.7	89%	0.888	54%	0.543	S	S	*	.			trans	-67.6	86.3	161.5	48	0	0	0	0	109.1
433	S	33	Very low	55.6	Low	84 Å²	84	91.8 Å²	91.8	59%	0.587	54%	0.536	S	S	*	.			trans	-102.7	122.1	156.7	-177.8	0	0	0	0	107.9	T431 N435	T431-S433 VanDerWaalsContact C-N 3.25Å; T431-S433 PolarHBondContact O-N 3.11Å; S433-N435 PolarHBondContact O-N 3.27Å
434	P	37.8	Very low	57.1	Low	115 Å²	115	86.3 Å²	86.3	75%	0.747	50%	0.503	S	S	*	.			trans	-77.8	22.6	-171.3	33.1	-35.8	0	0	0	114.3	T436	P434-T436 VanDerWaalsContact C-N 3.35Å; P434-T436 PolarHBondContact O-N 3.29Å
435	N	36.2	Very low	58.6	Low	136 Å²	136	87.6 Å²	87.6	73%	0.727	51%	0.509	S	S	*	.			trans	-91.7	73.8	171.9	-71.6	-9.5	0	0	0	109.3	S433 T437	S433-N435 PolarHBondContact O-N 3.27Å; N435-T437 PolarHBondContact O-N 3.28Å
436	T	44.4	Very low	60.7	Low	132 Å²	132	81.3 Å²	81.3	81%	0.81	48%	0.478	S	S	*	.			trans	-68.8	85	176.4	43.9	0	0	0	0	110.7	P434 D438	P434-T436 VanDerWaalsContact C-N 3.35Å; P434-T436 PolarHBondContact O-N 3.29Å; T436-D438 PolarHBondContact O-N 3.46Å
437	T	56.6	Low	62.7	Low	103 Å²	103	78.2 Å²	78.2	63%	0.632	46%	0.462	S	S	*	.			trans	-68.1	117.2	160.4	48.4	0	0	0	0	107.9	N435 N439	N435-T437 PolarHBondContact O-N 3.28Å; T437-N439 VanDerWaalsContact C-N 3.32Å; T437-N439 PolarHBondContact O-N 2.97Å; T437-N439 PolarHBondContact O-OD1 3.03Å; T437-N439 VanDerWaalsContact O-OD1 3.12Å; T437-N439 PolarHBondContact OG1-OD1 3.18Å
438	D	70.1	Confident	65.1	Low	83 Å²	83	75.2 Å²	75.2	44%	0.444	45%	0.446	S	S	.	.			trans	-69.3	89.3	178.4	-178.2	18.1	0	0	0	110.5	T436 K440 K445	T436-D438 PolarHBondContact O-N 3.46Å; D438-K440 PolarHBondContact O-N 3.04Å; D438-K440 WeakPolarHBondContact OD1-CB 3.5Å; D438-K440 WeakPolarHBondContact OD1-CD 3.4Å; D438-K440 WeakPolarHBondContact OD1-CG 3.48Å; D438-K440 PolarHBondContact OD1-N 3.27Å; D438-K440 IonicContact OD1-NZ 2.78Å; D438-K445 PolarHBondContact O-NZ 3.42Å; D438-K445 WeakPolarHBondContact OD2-CE 3.46Å; D438-K445 IonicContact OD2-NZ 3.64Å
439	N	83.4	Confident	68.1	Low	112 Å²	112	73.3 Å²	73.3	60%	0.599	44%	0.435	S	S	*	.			trans	-77.6	7	-177.1	-64.7	-14.9	0	0	0	113.3	T437 Y578	T437-N439 VanDerWaalsContact C-N 3.32Å; T437-N439 PolarHBondContact O-N 2.97Å; T437-N439 PolarHBondContact O-OD1 3.03Å; T437-N439 VanDerWaalsContact O-OD1 3.12Å; T437-N439 PolarHBondContact OG1-OD1 3.18Å; N439-Y578 PolarHBondContact O-OH 3.44Å
440	K	88.8	Confident	71.1	Confident	31 Å²	31	72.3 Å²	72.3	14%	0.135	42%	0.418	C	S	.	.			trans	-60.5	141.3	176.6	-72.1	-178.7	-178.8	86.6	0	111.2	D438 L444 K445 L448 Y578 D580 T581	D438-K440 PolarHBondContact O-N 3.04Å; D438-K440 WeakPolarHBondContact OD1-CB 3.5Å; D438-K440 WeakPolarHBondContact OD1-CD 3.4Å; D438-K440 WeakPolarHBondContact OD1-CG 3.48Å; D438-K440 PolarHBondContact OD1-N 3.27Å; D438-K440 IonicContact OD1-NZ 2.78Å; K440-L444 HydrophobicContact CB-CB 4.13Å; K440-L444 HydrophobicContact CB-CD1 4.43Å; K440-L444 HydrophobicContact CG-CD1 4.46Å; K440-K445 HydrophobicContact CB-CG 3.95Å; K440-K445 WeakPolarHBondContact O-CE 3.44Å; K440-L448 HydrophobicContact CD-CD1 3.8Å; K440-Y578 HydrophobicContact CG-CD1 4.4Å; K440-Y578 HydrophobicContact CG-CD2 3.83Å; K440-Y578 HydrophobicContact CG-CE1 4.27Å; K440-Y578 HydrophobicContact CG-CE2 3.68Å; K440-Y578 HydrophobicContact CG-CG 4.2Å; K440-D580 VanDerWaalsContact CE-CG 3.43Å; K440-D580 WeakPolarHBondContact CE-OD1 3.28Å; K440-D580 WeakPolarHBondContact CE-OD2 3.5Å; K440-D580 IonicContact NZ-OD1 3.58Å; K440-D580 PolarHBondContact NZ-OD1 2.87Å; K440-D580 IonicContact NZ-OD2 3.39Å; K440-D580 PolarHBondContact NZ-OD2 2.87Å; K440-T581 HydrophobicContact CD-CG2 4.2Å
441	T	91.8	Very high	74	Confident	9 Å²	9	66.8 Å²	66.8	6%	0.055	40%	0.397	C	S	.	.			trans	-64.5	156.6	174.2	74.2	0	0	0	0	110.4	F420 L443 L444 K445	F420-T441 HydrophobicContact CB-CG2 3.79Å; T441-L443 PolarHBondContact O-N 2.91Å; T441-L444 PolarHBondContact O-N 2.92Å; T441-L444 VanDerWaalsContact O-N 3.11Å; T441-L444 WeakPolarHBondContact OG1-CG 3.4Å; T441-L444 PolarHBondContact OG1-N 3.41Å; T441-K445 PolarHBondContact O-N 2.84Å; T441-K445 VanDerWaalsContact O-N 3.1Å
442	P	94	Very high	76.8	Confident	29 Å²	29	64.1 Å²	64.1	19%	0.188	38%	0.381	C	S	.	.	H	α-helix	trans	-58.3	-31.3	178.4	-20.6	31	0	0	0	112.7	Q355 F358 F420 K445 A446	Q355-P442 HydrophobicContact CB-CB 4.5Å; F358-P442 HydrophobicContact CD2-CB 4.05Å; F358-P442 HydrophobicContact CE2-CB 3.85Å; F420-P442 HydrophobicContact CD1-CG 4.41Å; F420-P442 HydrophobicContact CE1-CG 3.9Å; F420-P442 HydrophobicContact CE2-CG 4.26Å; F420-P442 HydrophobicContact CZ-CG 3.84Å; P442-K445 PolarHBondContact O-N 3.37Å; P442-A446 PolarHBondContact O-N 3.14Å
443	L	95.9	Very high	79.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-48.5	174.9	178.2	57.3	0	0	0	111.5	F358 L413 N417 T441 K445 A446 L447 F457 F571	F358-L443 HydrophobicContact CD2-CB 3.96Å; F358-L443 HydrophobicContact CD2-CD1 4.46Å; F358-L443 HydrophobicContact CE2-CB 4.13Å; L413-L443 HydrophobicContact CB-CD1 4.23Å; L413-L443 HydrophobicContact CB-CD2 4.31Å; L413-L443 HydrophobicContact CD1-CD1 4Å; L413-L443 HydrophobicContact CD2-CD1 4.18Å; L413-L443 HydrophobicContact CG-CD1 4.36Å; N417-L443 HydrophobicContact CB-CD2 3.77Å; T441-L443 PolarHBondContact O-N 2.91Å; L443-K445 VanDerWaalsContact C-N 3.26Å; L443-K445 PolarHBondContact O-N 3Å; L443-A446 WeakPolarHBondContact O-CB 3.36Å; L443-A446 PolarHBondContact O-N 3.14Å; L443-L447 HydrophobicContact CD1-CD1 4.38Å; L443-L447 HydrophobicContact CD1-CD2 4.37Å; L443-L447 HydrophobicContact CD1-CG 4.15Å; L443-L447 HydrophobicContact CG-CD1 4.2Å; L443-L447 HydrophobicContact CG-CG 4.42Å; L443-L447 WeakPolarHBondContact O-CG 3.36Å; L443-L447 PolarHBondContact O-N 2.66Å; L443-F457 HydrophobicContact CD2-CZ 4.26Å; L443-F571 HydrophobicContact CD2-CD2 3.81Å; L443-F571 HydrophobicContact CD2-CE2 3.5Å; L443-F571 HydrophobicContact CG-CE2 4.1Å
444	L	95.2	Very high	82.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-40.3	177	-68.2	-177.5	0	0	0	111.9	K440 T441 L447 L448 D574 L575 Y578 T581	K440-L444 HydrophobicContact CB-CB 4.13Å; K440-L444 HydrophobicContact CB-CD1 4.43Å; K440-L444 HydrophobicContact CG-CD1 4.46Å; T441-L444 PolarHBondContact O-N 2.92Å; T441-L444 VanDerWaalsContact O-N 3.11Å; T441-L444 WeakPolarHBondContact OG1-CG 3.4Å; T441-L444 PolarHBondContact OG1-N 3.41Å; L444-L447 HydrophobicContact CD2-CD1 4.42Å; L444-L447 PolarHBondContact O-N 3.3Å; L444-L448 WeakPolarHBondContact O-CG 3.5Å; L444-L448 PolarHBondContact O-N 3.45Å; L444-L448 VanDerWaalsContact O-N 3.07Å; L444-D574 HydrophobicContact CD1-CB 4.26Å; L444-L575 HydrophobicContact CD2-CB 4.48Å; L444-L575 HydrophobicContact CD2-CD1 4.06Å; L444-Y578 HydrophobicContact CD1-CD2 4.04Å; L444-Y578 HydrophobicContact CD1-CE2 3.98Å; L444-T581 HydrophobicContact CB-CG2 3.99Å; L444-T581 HydrophobicContact CD1-CG2 4.36Å; L444-T581 HydrophobicContact CD2-CG2 4.08Å; L444-T581 HydrophobicContact CG-CG2 4.36Å
445	K	95.4	Very high	85	Confident	58 Å²	58	55.3 Å²	55.3	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-39.5	175.3	-64.3	178.7	-179.2	-178.1	0	112.2	Q355 D438 K440 T441 P442 L443 A449	Q355-K445 HydrophobicContact CB-CB 4.42Å; Q355-K445 VanDerWaalsContact CD-CB 3.49Å; Q355-K445 HydrophobicContact CG-CB 3.94Å; Q355-K445 PolarHBondContact NE2-O 3.23Å; D438-K445 PolarHBondContact O-NZ 3.42Å; D438-K445 WeakPolarHBondContact OD2-CE 3.46Å; D438-K445 IonicContact OD2-NZ 3.64Å; K440-K445 HydrophobicContact CB-CG 3.95Å; K440-K445 WeakPolarHBondContact O-CE 3.44Å; T441-K445 PolarHBondContact O-N 2.84Å; T441-K445 VanDerWaalsContact O-N 3.1Å; P442-K445 PolarHBondContact O-N 3.37Å; L443-K445 VanDerWaalsContact C-N 3.26Å; L443-K445 PolarHBondContact O-N 3Å; K445-A449 WeakPolarHBondContact O-CB 3.37Å; K445-A449 PolarHBondContact O-N 2.93Å
446	A	96.3	Very high	87.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-42.5	176.7	0	0	0	0	0	112.1	Q355 F358 T359 I362 P442 L443 L448 A449 K450	Q355-A446 HydrophobicContact CG-CB 4.21Å; F358-A446 HydrophobicContact CB-CB 3.7Å; T359-A446 WeakPolarHBondContact OG1-CB 3.44Å; I362-A446 HydrophobicContact CD1-CB 4.14Å; P442-A446 PolarHBondContact O-N 3.14Å; L443-A446 WeakPolarHBondContact O-CB 3.36Å; L443-A446 PolarHBondContact O-N 3.14Å; A446-L448 PolarHBondContact O-N 3.09Å; A446-A449 PolarHBondContact O-N 2.8Å; A446-K450 PolarHBondContact O-N 3.29Å; A446-K450 VanDerWaalsContact O-N 3.14Å
447	L	96.3	Very high	89.9	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-44.2	177.4	-63.3	171.8	0	0	0	111.5	I362 L443 L444 A449 K450 S454 F457 F571 L575 L584	I362-L447 HydrophobicContact CD1-CD2 3.85Å; L443-L447 HydrophobicContact CD1-CD1 4.38Å; L443-L447 HydrophobicContact CD1-CD2 4.37Å; L443-L447 HydrophobicContact CD1-CG 4.15Å; L443-L447 HydrophobicContact CG-CD1 4.2Å; L443-L447 HydrophobicContact CG-CG 4.42Å; L443-L447 WeakPolarHBondContact O-CG 3.36Å; L443-L447 PolarHBondContact O-N 2.66Å; L444-L447 HydrophobicContact CD2-CD1 4.42Å; L444-L447 PolarHBondContact O-N 3.3Å; L447-A449 VanDerWaalsContact C-N 3.32Å; L447-A449 PolarHBondContact O-N 3.3Å; L447-K450 CarbonylContact O-C 3.43Å; L447-K450 VanDerWaalsContact O-C 3.22Å; L447-K450 PolarHBondContact O-N 2.95Å; L447-S454 WeakPolarHBondContact CA-OG 3.27Å; L447-S454 WeakPolarHBondContact CD2-OG 3.46Å; L447-F457 HydrophobicContact CD1-CE1 4.2Å; L447-F457 HydrophobicContact CD2-CD1 3.66Å; L447-F457 HydrophobicContact CD2-CE1 3.98Å; L447-F571 HydrophobicContact CD1-CE2 3.99Å; L447-F571 HydrophobicContact CD1-CZ 3.7Å; L447-L575 HydrophobicContact CD1-CD1 4.29Å; L447-L584 HydrophobicContact CB-CD1 3.74Å
448	L	95.3	Very high	91.7	Very high	55 Å²	55	40.6 Å²	40.6	29%	0.288	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-34.4	175.1	-73.6	175.7	0	0	0	113	K440 L444 A446 K450 D580 T581 L584	K440-L448 HydrophobicContact CD-CD1 3.8Å; L444-L448 WeakPolarHBondContact O-CG 3.5Å; L444-L448 PolarHBondContact O-N 3.45Å; L444-L448 VanDerWaalsContact O-N 3.07Å; A446-L448 PolarHBondContact O-N 3.09Å; L448-K450 VanDerWaalsContact C-N 3.28Å; L448-K450 PolarHBondContact O-N 2.9Å; L448-D580 HydrophobicContact CD2-CB 4.21Å; L448-T581 HydrophobicContact CD1-CG2 3.69Å; L448-T581 HydrophobicContact CD2-CG2 4.13Å; L448-T581 HydrophobicContact CG-CG2 3.84Å; L448-L584 HydrophobicContact CD2-CD1 4.22Å; L448-L584 HydrophobicContact CD2-CD2 4.41Å; L448-L584 HydrophobicContact CD2-CG 4.33Å
449	A	94.8	Very high	92.8	Very high	48 Å²	48	41 Å²	41	40%	0.397	21%	0.214	S	C	.	.	H	α-helix	trans	-69.9	-25.9	177.4	0	0	0	0	0	112.7	K445 A446 L447	K445-A449 WeakPolarHBondContact O-CB 3.37Å; K445-A449 PolarHBondContact O-N 2.93Å; A446-A449 PolarHBondContact O-N 2.8Å; L447-A449 VanDerWaalsContact C-N 3.32Å; L447-A449 PolarHBondContact O-N 3.3Å
450	K	93.4	Very high	93.2	Very high	83 Å²	83	35.8 Å²	35.8	36%	0.361	19%	0.185	S	C	.	.			trans	-137	65.5	-176.7	-60.4	-63.6	172.5	-167.3	0	112.4	T359 I362 A446 L447 L448 V452 S453 S454	T359-K450 HydrophobicContact CG2-CD 4.49Å; T359-K450 HydrophobicContact CG2-CG 3.74Å; I362-K450 HydrophobicContact CG2-CB 4.42Å; A446-K450 PolarHBondContact O-N 3.29Å; A446-K450 VanDerWaalsContact O-N 3.14Å; L447-K450 CarbonylContact O-C 3.43Å; L447-K450 VanDerWaalsContact O-C 3.22Å; L447-K450 PolarHBondContact O-N 2.95Å; L448-K450 VanDerWaalsContact C-N 3.28Å; L448-K450 PolarHBondContact O-N 2.9Å; K450-V452 VanDerWaalsContact C-N 3.33Å; K450-V452 PolarHBondContact O-N 2.99Å; K450-S453 PolarHBondContact O-N 2.92Å; K450-S454 VanDerWaalsContact O-CB 3.3Å; K450-S454 WeakPolarHBondContact O-CB 3.41Å; K450-S454 PolarHBondContact O-N 3Å; K450-S454 PolarHBondContact O-OG 2.79Å
451	P	92.1	Very high	93.4	Very high	63 Å²	63	34.3 Å²	34.3	41%	0.409	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-37.3	-174.1	24	-34.4	0	0	0	113.3	S454 L584	P451-S454 PolarHBondContact O-N 3.07Å; P451-L584 HydrophobicContact CB-CD2 3.67Å
452	V	90.4	Very high	93.5	Very high	77 Å²	77	34.5 Å²	34.5	47%	0.467	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-50	-179.8	-179.9	0	0	0	0	111.2	K450 S454 R455	K450-V452 VanDerWaalsContact C-N 3.33Å; K450-V452 PolarHBondContact O-N 2.99Å; V452-S454 PolarHBondContact O-N 2.63Å; V452-R455 WeakPolarHBondContact O-CB 3.41Å; V452-R455 WeakPolarHBondContact O-CG 3.45Å; V452-R455 PolarHBondContact O-N 3.23Å
453	S	90.2	Very high	93.4	Very high	16 Å²	16	35.5 Å²	35.5	11%	0.112	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.5	179.3	-44.4	0	0	0	0	112.6	D366 K450	D366-S453 WeakPolarHBondContact OD2-CB 3.42Å; D366-S453 PolarHBondContact OD2-OG 2.71Å; K450-S453 PolarHBondContact O-N 2.92Å
454	S	92.8	Very high	93.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.7	179.5	-60.5	0	0	0	0	114.4	L447 K450 P451 V452 L456 F457 L458	L447-S454 WeakPolarHBondContact CA-OG 3.27Å; L447-S454 WeakPolarHBondContact CD2-OG 3.46Å; K450-S454 VanDerWaalsContact O-CB 3.3Å; K450-S454 WeakPolarHBondContact O-CB 3.41Å; K450-S454 PolarHBondContact O-N 3Å; K450-S454 PolarHBondContact O-OG 2.79Å; P451-S454 PolarHBondContact O-N 3.07Å; V452-S454 PolarHBondContact O-N 2.63Å; S454-L456 PolarHBondContact O-N 3.28Å; S454-F457 PolarHBondContact O-N 3.41Å; S454-L458 WeakPolarHBondContact O-CG 3.31Å; S454-L458 PolarHBondContact O-N 3.44Å
455	R	91.8	Very high	93	Very high	125 Å²	125	35.7 Å²	35.7	47%	0.472	18%	0.183	S	C	.	.	H	α-helix	trans	-56.7	-47.5	-174.8	-73	177.9	179	164.4	0.9	112.9	V452 F457 L458 E459 Y586	V452-R455 WeakPolarHBondContact O-CB 3.41Å; V452-R455 WeakPolarHBondContact O-CG 3.45Å; V452-R455 PolarHBondContact O-N 3.23Å; R455-F457 VanDerWaalsContact C-N 3.34Å; R455-F457 PolarHBondContact O-N 3.48Å; R455-L458 PolarHBondContact O-N 2.91Å; R455-E459 WeakPolarHBondContact O-CB 3.45Å; R455-E459 PolarHBondContact O-N 2.93Å; R455-Y586 HydrophobicContact CG-CE2 4.43Å; R455-Y586 VanDerWaalsContact CZ-OH 3.28Å; R455-Y586 PolarHBondContact NE-OH 2.92Å; R455-Y586 PolarHBondContact NH2-OH 3.37Å
456	L	90.2	Very high	92.7	Very high	40 Å²	40	36 Å²	36	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-42.3	-179.1	178.2	58.3	0	0	0	111.7	Y403 S406 S454 E459 I460	Y403-L456 HydrophobicContact CD2-CD1 4.2Å; Y403-L456 HydrophobicContact CE2-CD1 3.75Å; S406-L456 VanDerWaalsContact CB-CD2 3.46Å; S406-L456 WeakPolarHBondContact OG-CD2 3.39Å; S454-L456 PolarHBondContact O-N 3.28Å; L456-E459 PolarHBondContact O-N 3.27Å; L456-I460 HydrophobicContact CD1-CD1 4.26Å; L456-I460 HydrophobicContact CD1-CG1 4.43Å; L456-I460 HydrophobicContact CG-CD1 4.16Å; L456-I460 VanDerWaalsContact O-CG1 3.28Å; L456-I460 WeakPolarHBondContact O-CG1 3.5Å; L456-I460 PolarHBondContact O-N 3.36Å
457	F	93.4	Very high	92.3	Very high	13 Å²	13	40.5 Å²	40.5	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-47	175.3	169.5	-102.1	0	0	0	111.5	A410 L413 L443 L447 S454 R455 E459 I460 I461 F571	A410-F457 HydrophobicContact CB-CD2 3.77Å; A410-F457 HydrophobicContact CB-CE2 4.04Å; L413-F457 HydrophobicContact CB-CE2 3.99Å; L413-F457 HydrophobicContact CB-CZ 4.34Å; L413-F457 HydrophobicContact CD1-CD2 4.16Å; L413-F457 HydrophobicContact CD1-CE2 4.15Å; L443-F457 HydrophobicContact CD2-CZ 4.26Å; L447-F457 HydrophobicContact CD1-CE1 4.2Å; L447-F457 HydrophobicContact CD2-CD1 3.66Å; L447-F457 HydrophobicContact CD2-CE1 3.98Å; S454-F457 PolarHBondContact O-N 3.41Å; R455-F457 VanDerWaalsContact C-N 3.34Å; R455-F457 PolarHBondContact O-N 3.48Å; F457-E459 VanDerWaalsContact C-N 3.34Å; F457-E459 PolarHBondContact O-N 3.24Å; F457-I460 PolarHBondContact O-N 3.01Å; F457-I461 HydrophobicContact CD2-CG1 4.43Å; F457-I461 HydrophobicContact CE1-CG1 4.1Å; F457-I461 HydrophobicContact CE2-CD1 4.07Å; F457-I461 HydrophobicContact CE2-CG1 3.99Å; F457-I461 HydrophobicContact CZ-CD1 4.07Å; F457-I461 HydrophobicContact CZ-CG1 3.81Å; F457-I461 WeakPolarHBondContact O-CG1 3.28Å; F457-I461 PolarHBondContact O-N 2.83Å; F457-F571 AromaticContact CE1-CE1 3.95Å; F457-F571 HydrophobicContact CE1-CE1 3.95Å; F457-F571 HydrophobicContact CE1-CE2 4.02Å; F457-F571 AromaticContact CE1-CZ 3.5Å; F457-F571 HydrophobicContact CE1-CZ 3.5Å; F457-F571 VanDerWaalsContact CE1-CZ 3.5Å; F457-F571 HydrophobicContact CZ-CE1 4.32Å; F457-F571 HydrophobicContact CZ-CE2 4.23Å; F457-F571 HydrophobicContact CZ-CZ 4.03Å
458	L	94.6	Very high	91.8	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-39.8	179	-65.7	171	0	0	0	111.8	S454 R455 I461 I462 F571 L575 L584 I585	S454-L458 WeakPolarHBondContact O-CG 3.31Å; S454-L458 PolarHBondContact O-N 3.44Å; R455-L458 PolarHBondContact O-N 2.91Å; L458-I461 PolarHBondContact O-N 3.09Å; L458-I462 WeakPolarHBondContact O-CD1 3.36Å; L458-I462 VanDerWaalsContact O-CG1 3.26Å; L458-I462 WeakPolarHBondContact O-CG1 3.47Å; L458-I462 PolarHBondContact O-N 2.89Å; L458-F571 HydrophobicContact CD2-CE1 4.27Å; L458-F571 HydrophobicContact CD2-CZ 4.29Å; L458-L575 HydrophobicContact CD2-CD1 4.31Å; L458-L575 HydrophobicContact CD2-CD2 4.04Å; L458-L584 HydrophobicContact CD1-CB 3.86Å; L458-I585 HydrophobicContact CB-CD1 4.22Å; L458-I585 HydrophobicContact CD1-CD1 4.22Å; L458-I585 HydrophobicContact CD2-CD1 4.1Å; L458-I585 HydrophobicContact CG-CD1 4.4Å
459	E	92.3	Very high	91.2	Very high	93 Å²	93	42.7 Å²	42.7	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-47	174.5	-172.8	-174.8	162.4	0	0	111.6	R455 L456 F457 I461 I462 Q463	R455-E459 WeakPolarHBondContact O-CB 3.45Å; R455-E459 PolarHBondContact O-N 2.93Å; L456-E459 PolarHBondContact O-N 3.27Å; F457-E459 VanDerWaalsContact C-N 3.34Å; F457-E459 PolarHBondContact O-N 3.24Å; E459-I461 VanDerWaalsContact C-N 3.32Å; E459-I461 PolarHBondContact O-N 3.48Å; E459-I462 PolarHBondContact O-N 3.12Å; E459-Q463 HydrophobicContact CG-CG 4.5Å; E459-Q463 WeakPolarHBondContact O-CG 3.5Å; E459-Q463 PolarHBondContact O-N 3.07Å; E459-Q463 PolarHBondContact OE1-NE2 3.41Å
460	I	92	Very high	90.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-56.7	-47.1	175.6	-69.6	166.1	0	0	0	110.3	S406 Y407 A410 L456 F457 I462 Q463 T464 W539	S406-I460 WeakPolarHBondContact OG-CD1 3.49Å; Y407-I460 HydrophobicContact CD1-CD1 3.89Å; Y407-I460 HydrophobicContact CD1-CG1 4.1Å; Y407-I460 HydrophobicContact CD1-CG2 3.85Å; Y407-I460 HydrophobicContact CE1-CB 4.47Å; Y407-I460 HydrophobicContact CE1-CD1 4.01Å; Y407-I460 HydrophobicContact CE1-CG1 3.79Å; Y407-I460 HydrophobicContact CE1-CG2 3.92Å; Y407-I460 HydrophobicContact CG-CD1 4.44Å; A410-I460 HydrophobicContact CB-CD1 4.36Å; A410-I460 HydrophobicContact CB-CG2 4.02Å; L456-I460 HydrophobicContact CD1-CD1 4.26Å; L456-I460 HydrophobicContact CD1-CG1 4.43Å; L456-I460 HydrophobicContact CG-CD1 4.16Å; L456-I460 VanDerWaalsContact O-CG1 3.28Å; L456-I460 WeakPolarHBondContact O-CG1 3.5Å; L456-I460 PolarHBondContact O-N 3.36Å; F457-I460 PolarHBondContact O-N 3.01Å; I460-I462 PolarHBondContact O-N 2.86Å; I460-Q463 PolarHBondContact O-N 2.95Å; I460-T464 WeakPolarHBondContact O-CB 3.36Å; I460-T464 PolarHBondContact O-N 3.5Å; I460-T464 PolarHBondContact O-OG1 3.08Å; I460-W539 HydrophobicContact CG2-CD2 4.01Å; I460-W539 HydrophobicContact CG2-CE3 3.49Å; I460-W539 VanDerWaalsContact CG2-CE3 3.49Å; I460-W539 HydrophobicContact CG2-CH2 3.97Å; I460-W539 HydrophobicContact CG2-CZ2 4.45Å; I460-W539 HydrophobicContact CG2-CZ3 3.45Å; I460-W539 VanDerWaalsContact CG2-CZ3 3.45Å
461	I	94.4	Very high	90.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-44.8	178.3	-68.2	-59.4	0	0	0	111.6	L414 F457 L458 E459 T464 F465 V568 F571 L572	L414-I461 HydrophobicContact CD1-CD1 4.13Å; L414-I461 HydrophobicContact CD2-CD1 4.2Å; F457-I461 HydrophobicContact CD2-CG1 4.43Å; F457-I461 HydrophobicContact CE1-CG1 4.1Å; F457-I461 HydrophobicContact CE2-CD1 4.07Å; F457-I461 HydrophobicContact CE2-CG1 3.99Å; F457-I461 HydrophobicContact CZ-CD1 4.07Å; F457-I461 HydrophobicContact CZ-CG1 3.81Å; F457-I461 WeakPolarHBondContact O-CG1 3.28Å; F457-I461 PolarHBondContact O-N 2.83Å; L458-I461 PolarHBondContact O-N 3.09Å; E459-I461 VanDerWaalsContact C-N 3.32Å; E459-I461 PolarHBondContact O-N 3.48Å; I461-T464 PolarHBondContact O-N 3.13Å; I461-F465 WeakPolarHBondContact O-CB 3.29Å; I461-F465 PolarHBondContact O-N 3.31Å; I461-V568 HydrophobicContact CG2-CG1 4.1Å; I461-F571 HydrophobicContact CD1-CD1 4.46Å; I461-F571 HydrophobicContact CG1-CD1 4.22Å; I461-F571 HydrophobicContact CG1-CE1 4.16Å; I461-F571 HydrophobicContact CG2-CD1 3.73Å; I461-F571 HydrophobicContact CG2-CE1 3.96Å; I461-L572 HydrophobicContact CG2-CD2 3.87Å; I461-L572 HydrophobicContact CG2-CG 4.2Å
462	I	92.6	Very high	90.6	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.062	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-46.1	179.4	-66.7	157.9	0	0	0	111.1	L458 E459 I460 T464 F465 N466 I585 D589 V592 I593	L458-I462 WeakPolarHBondContact O-CD1 3.36Å; L458-I462 VanDerWaalsContact O-CG1 3.26Å; L458-I462 WeakPolarHBondContact O-CG1 3.47Å; L458-I462 PolarHBondContact O-N 2.89Å; E459-I462 PolarHBondContact O-N 3.12Å; I460-I462 PolarHBondContact O-N 2.86Å; I462-T464 VanDerWaalsContact C-N 3.25Å; I462-T464 PolarHBondContact O-N 2.85Å; I462-F465 PolarHBondContact O-N 2.91Å; I462-N466 PolarHBondContact O-N 3.13Å; I462-I585 HydrophobicContact CD1-CD1 4.15Å; I462-D589 HydrophobicContact CD1-CB 3.74Å; I462-V592 HydrophobicContact CG2-CG1 4.31Å; I462-I593 HydrophobicContact CG1-CD1 4.11Å; I462-I593 HydrophobicContact CG1-CG1 4.33Å; I462-I593 HydrophobicContact CG2-CG1 4.39Å
463	Q	91.2	Very high	90.4	Very high	51 Å²	51	32 Å²	32	24%	0.238	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-39.9	176.6	-70.3	179.5	9.3	0	0	111.3	E459 I460 N466 R467	E459-Q463 HydrophobicContact CG-CG 4.5Å; E459-Q463 WeakPolarHBondContact O-CG 3.5Å; E459-Q463 PolarHBondContact O-N 3.07Å; E459-Q463 PolarHBondContact OE1-NE2 3.41Å; I460-Q463 PolarHBondContact O-N 2.95Å; Q463-N466 PolarHBondContact O-N 3.16Å; Q463-R467 WeakPolarHBondContact O-CG 3.38Å; Q463-R467 PolarHBondContact O-N 3.06Å; Q463-R467 VanDerWaalsContact O-N 3.11Å
464	T	90.7	Very high	90.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-67.7	-41.7	178.5	-50.6	0	0	0	0	111.9	I460 I461 I462 N466 R467 H468 L469 P471 W539 V568	I460-T464 WeakPolarHBondContact O-CB 3.36Å; I460-T464 PolarHBondContact O-N 3.5Å; I460-T464 PolarHBondContact O-OG1 3.08Å; I461-T464 PolarHBondContact O-N 3.13Å; I462-T464 VanDerWaalsContact C-N 3.25Å; I462-T464 PolarHBondContact O-N 2.85Å; T464-N466 VanDerWaalsContact C-N 3.3Å; T464-N466 PolarHBondContact O-N 3.35Å; T464-R467 CarbonylContact O-C 3.57Å; T464-R467 PolarHBondContact O-N 3.18Å; T464-R467 VanDerWaalsContact O-N 3.1Å; T464-H468 PolarHBondContact O-N 3.32Å; T464-H468 VanDerWaalsContact O-N 3.13Å; T464-L469 HydrophobicContact CG2-CB 4.04Å; T464-L469 HydrophobicContact CG2-CD2 4.15Å; T464-L469 PolarHBondContact O-N 3.45Å; T464-P471 HydrophobicContact CG2-CG 4.37Å; T464-W539 HydrophobicContact CG2-CE3 3.95Å; T464-W539 HydrophobicContact CG2-CZ3 3.89Å; T464-W539 WeakPolarHBondContact OG1-CZ3 3.46Å; T464-V568 HydrophobicContact CG2-CG2 3.78Å
465	F	92.5	Very high	90.1	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-41.8	175.1	178.8	-116.3	0	0	0	111.7	I461 I462 R467 H468 V568 V569 L572 I593 V596 I597 L614 L617	I461-F465 WeakPolarHBondContact O-CB 3.29Å; I461-F465 PolarHBondContact O-N 3.31Å; I462-F465 PolarHBondContact O-N 2.91Å; F465-R467 VanDerWaalsContact C-N 3.29Å; F465-R467 PolarHBondContact O-N 3.1Å; F465-H468 PolarHBondContact O-N 2.93Å; F465-H468 PolarHBondContact O-ND1 3.47Å; F465-V568 HydrophobicContact CB-CG1 3.85Å; F465-V569 HydrophobicContact CD2-CG2 4.19Å; F465-V569 HydrophobicContact CE2-CG2 3.96Å; F465-L572 HydrophobicContact CB-CD1 3.94Å; F465-L572 HydrophobicContact CD1-CD1 3.97Å; F465-L572 HydrophobicContact CD2-CD1 3.72Å; F465-L572 HydrophobicContact CE1-CD1 4.43Å; F465-L572 HydrophobicContact CE2-CD1 4.22Å; F465-L572 HydrophobicContact CG-CD1 3.59Å; F465-I593 HydrophobicContact CD1-CG2 4.48Å; F465-I593 HydrophobicContact CE1-CG2 4.04Å; F465-V596 HydrophobicContact CD1-CB 4.07Å; F465-V596 HydrophobicContact CD1-CG1 3.68Å; F465-V596 HydrophobicContact CE1-CB 3.69Å; F465-V596 HydrophobicContact CE1-CG1 3.4Å; F465-V596 HydrophobicContact CG-CG1 4.43Å; F465-V596 HydrophobicContact CZ-CG1 3.93Å; F465-I597 HydrophobicContact CE1-CG1 4.04Å; F465-I597 HydrophobicContact CZ-CG1 3.76Å; F465-L614 HydrophobicContact CE2-CD2 4.19Å; F465-L614 HydrophobicContact CZ-CD2 4.2Å; F465-L617 HydrophobicContact CE2-CD2 4.3Å; F465-L617 HydrophobicContact CZ-CD2 4.05Å
466	N	90.5	Very high	90.1	Very high	64 Å²	64	29.2 Å²	29.2	34%	0.342	14%	0.14	S	C	.	.	H	α-helix	trans	-64.5	-31.6	174.9	-173.1	25.8	0	0	0	112.8	I462 Q463 T464 H468 V596 R599	I462-N466 PolarHBondContact O-N 3.13Å; Q463-N466 PolarHBondContact O-N 3.16Å; T464-N466 VanDerWaalsContact C-N 3.3Å; T464-N466 PolarHBondContact O-N 3.35Å; N466-H468 VanDerWaalsContact C-N 3.35Å; N466-V596 HydrophobicContact CB-CG2 3.97Å; N466-V596 WeakPolarHBondContact OD1-CG2 3.19Å; N466-R599 PolarHBondContact O-NH2 2.92Å; N466-R599 VanDerWaalsContact O-NH2 3.1Å; N466-R599 PolarHBondContact OD1-NH1 3.45Å; N466-R599 PolarHBondContact OD1-NH2 3.12Å
467	R	87.1	Confident	90.2	Very high	95 Å²	95	27.3 Å²	27.3	36%	0.358	13%	0.13	S	C	.	.	H	α-helix	trans	-81.9	-7.1	176.9	-71.5	177.5	-179.3	145.2	8.5	114.5	Q463 T464 F465 L469 W539	Q463-R467 WeakPolarHBondContact O-CG 3.38Å; Q463-R467 PolarHBondContact O-N 3.06Å; Q463-R467 VanDerWaalsContact O-N 3.11Å; T464-R467 CarbonylContact O-C 3.57Å; T464-R467 PolarHBondContact O-N 3.18Å; T464-R467 VanDerWaalsContact O-N 3.1Å; F465-R467 VanDerWaalsContact C-N 3.29Å; F465-R467 PolarHBondContact O-N 3.1Å; R467-L469 HydrophobicContact CB-CB 4.41Å; R467-L469 PolarHBondContact O-N 3.31Å; R467-W539 PolarHBondContact NH1-O 2.95Å
468	H	84.7	Confident	89.9	Confident	82 Å²	82	29 Å²	29	38%	0.38	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	29.1	-178	-47.5	-42.7	0	0	0	114	T464 F465 N466 R599 R600	T464-H468 PolarHBondContact O-N 3.32Å; T464-H468 VanDerWaalsContact O-N 3.13Å; F465-H468 PolarHBondContact O-N 2.93Å; F465-H468 PolarHBondContact O-ND1 3.47Å; N466-H468 VanDerWaalsContact C-N 3.35Å; H468-R599 PolarHBondContact NE2-NH2 3.38Å; H468-R600 WeakPolarHBondContact CE1-CD 3.36Å; H468-R600 WeakPolarHBondContact CE1-CG 3.26Å; H468-R600 WeakPolarHBondContact ND1-CD 3.44Å
469	L	83.9	Confident	89	Confident	18 Å²	18	30.7 Å²	30.7	9%	0.094	15%	0.151	C	C	.	.			trans	-95.6	151.1	-177.1	-169.7	100.4	0	0	0	110.8	T464 R467 P471 M474 L538 V543	T464-L469 HydrophobicContact CG2-CB 4.04Å; T464-L469 HydrophobicContact CG2-CD2 4.15Å; T464-L469 PolarHBondContact O-N 3.45Å; R467-L469 HydrophobicContact CB-CB 4.41Å; R467-L469 PolarHBondContact O-N 3.31Å; L469-P471 HydrophobicContact CD2-CB 3.9Å; L469-P471 HydrophobicContact CD2-CG 4.34Å; L469-M474 HydrophobicContact CD1-CE 4.47Å; L469-M474 HydrophobicContact CD1-SD 3.76Å; L469-M474 HydrophobicContact CG-SD 4.13Å; L469-L538 WeakPolarHBondContact CD2-O 3.43Å; L469-V543 HydrophobicContact CD1-CB 4.2Å; L469-V543 HydrophobicContact CD1-CG2 4.01Å
470	D	88.2	Confident	87.6	Confident	22 Å²	22	29.6 Å²	29.6	12%	0.118	15%	0.153	C	C	.	.			trans	-123.2	97.2	163.4	-161.2	-22.3	0	0	0	110.6	I472 F473 N566 S567	D470-I472 VanDerWaalsContact C-N 3.33Å; D470-I472 PolarHBondContact O-N 2.87Å; D470-I472 WeakPolarHBondContact OD1-CG1 3.4Å; D470-I472 PolarHBondContact OD1-N 2.94Å; D470-F473 HydrophobicContact CB-CD2 4.37Å; D470-F473 WeakPolarHBondContact OD2-CD2 3.39Å; D470-F473 WeakPolarHBondContact OD2-CE2 3.14Å; D470-N566 VanDerWaalsContact OD2-CA 3.31Å; D470-N566 WeakPolarHBondContact OD2-CA 3.44Å; D470-S567 WeakPolarHBondContact OD1-CB 3.25Å; D470-S567 PolarHBondContact OD1-OG 2.98Å; D470-S567 PolarHBondContact OD2-N 2.86Å; D470-S567 PolarHBondContact OD2-OG 3.38Å
471	P	88.1	Confident	85.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-74.1	-22.7	-170.8	29	-33.6	0	0	0	113.1	L411 L414 T464 L469 F473 M474 L538 W539	L411-P471 HydrophobicContact CD1-CB 3.98Å; L411-P471 HydrophobicContact CD1-CG 4.39Å; L414-P471 HydrophobicContact CD2-CG 4.17Å; T464-P471 HydrophobicContact CG2-CG 4.37Å; L469-P471 HydrophobicContact CD2-CB 3.9Å; L469-P471 HydrophobicContact CD2-CG 4.34Å; P471-F473 VanDerWaalsContact C-N 3.3Å; P471-F473 PolarHBondContact O-N 3.47Å; P471-M474 PolarHBondContact O-N 3.28Å; P471-L538 HydrophobicContact CB-CB 4.42Å; P471-W539 HydrophobicContact CB-CD2 4.34Å; P471-W539 HydrophobicContact CB-CE3 4.47Å; P471-W539 HydrophobicContact CB-CH2 4.41Å; P471-W539 HydrophobicContact CB-CZ2 4.23Å; P471-W539 HydrophobicContact CG-CD2 4.27Å; P471-W539 HydrophobicContact CG-CE3 3.98Å; P471-W539 HydrophobicContact CG-CH2 3.52Å; P471-W539 HydrophobicContact CG-CZ2 3.8Å; P471-W539 HydrophobicContact CG-CZ3 3.62Å
472	I	91.1	Very high	83.8	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-68.4	-31.1	-172.6	74.2	167.9	0	0	0	112.3	S340 L411 L414 A415 W418 D470 M474 V475	S340-I472 WeakPolarHBondContact CB-O 3.42Å; S340-I472 PolarHBondContact OG-O 2.87Å; L411-I472 HydrophobicContact CD1-CG2 4.18Å; L414-I472 HydrophobicContact CB-CG2 3.87Å; L414-I472 HydrophobicContact CD2-CG2 3.83Å; L414-I472 HydrophobicContact CG-CG2 3.79Å; A415-I472 HydrophobicContact CB-CB 4.45Å; A415-I472 HydrophobicContact CB-CG2 4.23Å; W418-I472 HydrophobicContact CB-CD1 4.1Å; W418-I472 HydrophobicContact CD2-CD1 4.24Å; W418-I472 HydrophobicContact CG-CD1 3.98Å; D470-I472 VanDerWaalsContact C-N 3.33Å; D470-I472 PolarHBondContact O-N 2.87Å; D470-I472 WeakPolarHBondContact OD1-CG1 3.4Å; D470-I472 PolarHBondContact OD1-N 2.94Å; I472-M474 VanDerWaalsContact C-N 3.35Å; I472-V475 VanDerWaalsContact O-CG1 3.24Å; I472-V475 WeakPolarHBondContact O-CG1 3.3Å
473	F	86.6	Confident	81.5	Confident	24 Å²	24	44.1 Å²	44.1	11%	0.105	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-87.6	-9	179.9	-60.4	-67.6	0	0	0	112.9	W418 D470 P471 L549 P553	W418-F473 HydrophobicContact CD2-CZ 4.41Å; W418-F473 AromaticContact CE2-CZ 3.78Å; W418-F473 HydrophobicContact CH2-CZ 4.49Å; W418-F473 AromaticContact CZ2-CZ 3.83Å; W418-F473 HydrophobicContact CZ2-CZ 3.83Å; W418-F473 AromaticContact NE1-CZ 3.9Å; D470-F473 HydrophobicContact CB-CD2 4.37Å; D470-F473 WeakPolarHBondContact OD2-CD2 3.39Å; D470-F473 WeakPolarHBondContact OD2-CE2 3.14Å; P471-F473 VanDerWaalsContact C-N 3.3Å; P471-F473 PolarHBondContact O-N 3.47Å; F473-L549 HydrophobicContact CB-CD1 4.4Å; F473-L549 HydrophobicContact CB-CD2 3.67Å; F473-L549 WeakPolarHBondContact O-CD2 3.29Å; F473-P553 HydrophobicContact CD1-CB 3.94Å; F473-P553 HydrophobicContact CD2-CB 3.79Å; F473-P553 HydrophobicContact CD2-CG 4.39Å; F473-P553 HydrophobicContact CE1-CB 3.59Å; F473-P553 HydrophobicContact CE2-CB 3.41Å; F473-P553 VanDerWaalsContact CE2-CB 3.41Å; F473-P553 HydrophobicContact CE2-CG 4.13Å; F473-P553 HydrophobicContact CG-CB 4.05Å; F473-P553 HydrophobicContact CZ-CB 3.31Å; F473-P553 HydrophobicContact CZ-CG 4.44Å
474	M	87	Confident	79.8	Confident	47 Å²	47	43.9 Å²	43.9	23%	0.232	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.2	178	-64.4	-179.4	69	0	0	113.2	L469 P471 I472 T476 Y534 L538 V543	L469-M474 HydrophobicContact CD1-CE 4.47Å; L469-M474 HydrophobicContact CD1-SD 3.76Å; L469-M474 HydrophobicContact CG-SD 4.13Å; P471-M474 PolarHBondContact O-N 3.28Å; I472-M474 VanDerWaalsContact C-N 3.35Å; M474-T476 PolarHBondContact O-N 3.2Å; M474-Y534 PolarHBondContact O-OH 3.29Å; M474-L538 HydrophobicContact CB-CD2 4.01Å; M474-V543 HydrophobicContact CE-CB 4.43Å; M474-V543 HydrophobicContact CE-CG1 4.23Å; M474-V543 HydrophobicContact CE-CG2 3.6Å
475	V	89.8	Confident	78.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.243	C	C	.	.			trans	-66	127.7	-179.1	72.8	0	0	0	0	110.2	R333 L337 L411 I472	R333-V475 HydrophobicContact CG-CG2 3.84Å; L337-V475 HydrophobicContact CB-CG1 4.08Å; L337-V475 HydrophobicContact CD1-CG1 4.07Å; L337-V475 VanDerWaalsContact CD1-O 3.29Å; L337-V475 WeakPolarHBondContact CD1-O 3.16Å; L411-V475 HydrophobicContact CD2-CB 4.36Å; L411-V475 HydrophobicContact CD2-CG2 4.02Å; I472-V475 VanDerWaalsContact O-CG1 3.24Å; I472-V475 WeakPolarHBondContact O-CG1 3.3Å
476	T	90.9	Very high	77.4	Confident	34 Å²	34	48.5 Å²	48.5	21%	0.209	25%	0.248	C	C	.	.			trans	-150.9	166.2	177.5	-180	0	0	0	0	108.4	S295 R333 M474 L478 Y534	S295-T476 WeakPolarHBondContact CB-OG1 3.48Å; S295-T476 PolarHBondContact OG-OG1 2.7Å; R333-T476 PolarHBondContact NE-O 3.41Å; R333-T476 PolarHBondContact NH2-O 3.37Å; M474-T476 PolarHBondContact O-N 3.2Å; T476-L478 PolarHBondContact OG1-N 2.88Å; T476-L478 VanDerWaalsContact OG1-N 3.09Å; T476-Y534 WeakPolarHBondContact CG2-OH 3.37Å; T476-Y534 PolarHBondContact N-OH 3.14Å; T476-Y534 PolarHBondContact O-OH 2.89Å; T476-Y534 VanDerWaalsContact O-OH 3.1Å
477	F	91.8	Very high	76.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-109.8	1	169.2	-80.7	-112.7	0	0	0	112.3	R288 G291 I292 S295 L330 R333 F334 L337	R288-F477 HydrophobicContact CG-CD1 4.46Å; R288-F477 PolarHBondContact NH2-O 2.97Å; G291-F477 WeakPolarHBondContact O-CB 3.39Å; I292-F477 HydrophobicContact CG1-CB 4.01Å; S295-F477 PolarHBondContact OG-N 2.9Å; L330-F477 HydrophobicContact CD1-CE1 3.5Å; L330-F477 HydrophobicContact CD1-CZ 4Å; R333-F477 HydrophobicContact CB-CE2 4.3Å; R333-F477 HydrophobicContact CB-CZ 4.08Å; R333-F477 HydrophobicContact CG-CD2 4.44Å; R333-F477 HydrophobicContact CG-CE2 3.61Å; R333-F477 HydrophobicContact CG-CZ 3.75Å; F334-F477 HydrophobicContact CB-CE2 4.25Å; F334-F477 HydrophobicContact CB-CZ 3.86Å; F334-F477 HydrophobicContact CD2-CE2 4.38Å; F334-F477 HydrophobicContact CD2-CZ 4.26Å; L337-F477 HydrophobicContact CD2-CD2 3.89Å; L337-F477 HydrophobicContact CD2-CE2 4.21Å
478	L	87.6	Confident	75.6	Confident	49 Å²	49	45.9 Å²	45.9	26%	0.257	25%	0.246	S	C	.	.	S	Bend	trans	-72.8	144.9	174	-63.4	171.7	0	0	0	110.3	I292 L296 T476 S480	I292-L478 HydrophobicContact CG2-CD2 4.07Å; L296-L478 HydrophobicContact CD2-CD1 4.2Å; L296-L478 HydrophobicContact CD2-CD2 3.61Å; L296-L478 HydrophobicContact CG-CD2 3.96Å; T476-L478 PolarHBondContact OG1-N 2.88Å; T476-L478 VanDerWaalsContact OG1-N 3.09Å; L478-S480 PolarHBondContact O-N 3.43Å
479	P	75.7	Confident	75.2	Confident	45 Å²	45	42.9 Å²	42.9	29%	0.292	23%	0.232	S	C	.	.			trans	-58.5	128	172.5	-18.5	30.3	0	0	0	109.9	E248	E248-P479 HydrophobicContact CB-CG 3.68Å; E248-P479 HydrophobicContact CG-CG 3.84Å
480	S	62.7	Low	74.8	Confident	69 Å²	69	44.7 Å²	44.7	48%	0.483	24%	0.242	S	C	.	.			trans	-98.1	85.5	173.8	61.1	0	0	0	0	109.6	L478 K482	L478-S480 PolarHBondContact O-N 3.43Å; S480-K482 PolarHBondContact O-N 3.21Å
481	D	54.7	Low	74	Confident	67 Å²	67	47.5 Å²	47.5	36%	0.358	26%	0.26	S	S	.	.			trans	-78.2	31	172	-89.4	-28.8	0	0	0	112.3	N483 Y484	D481-N483 PolarHBondContact O-N 3.31Å; D481-Y484 CarbonylContact O-C 3.48Å; D481-Y484 PolarHBondContact O-N 3.2Å
482	K	51.6	Low	73.5	Confident	144 Å²	144	50.7 Å²	50.7	63%	0.626	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.7	-178.4	-70.4	-169.9	176.2	-176.9	0	113.4	S480 A547	S480-K482 PolarHBondContact O-N 3.21Å; K482-A547 VanDerWaalsContact NZ-CB 3.25Å
483	N	45.9	Very low	72.9	Confident	108 Å²	108	57 Å²	57	58%	0.578	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-8.6	177	-64.8	-17	0	0	0	113.4	D481	D481-N483 PolarHBondContact O-N 3.31Å
484	Y	55.1	Low	72.3	Confident	47 Å²	47	56.3 Å²	56.3	18%	0.184	30%	0.297	C	S	.	.			trans	-123.6	81.9	-179.2	-163.7	-96.4	0	0	0	109.3	D481 S486 F518	D481-Y484 CarbonylContact O-C 3.48Å; D481-Y484 PolarHBondContact O-N 3.2Å; Y484-S486 PolarHBondContact O-N 2.79Å; Y484-F518 HydrophobicContact CE2-CE2 4.46Å; Y484-F518 WeakPolarHBondContact OH-CE2 3.47Å
485	D	65.1	Low	71.7	Confident	84 Å²	84	57.2 Å²	57.2	45%	0.449	31%	0.308	S	S	.	.			trans	-76.1	80	173.2	-169.2	-13.4	0	0	0	109.1	A487 N488 N489	D485-A487 PolarHBondContact O-N 3.35Å; D485-A487 PolarHBondContact OD1-N 2.69Å; D485-N488 HydrophobicContact CB-CB 3.84Å; D485-N488 PolarHBondContact O-N 2.77Å; D485-N488 WeakPolarHBondContact OD1-CB 3.47Å; D485-N488 PolarHBondContact OD1-N 3.04Å; D485-N488 WeakPolarHBondContact OD2-CB 3.46Å; D485-N489 WeakPolarHBondContact O-CB 3.33Å; D485-N489 PolarHBondContact O-N 3.32Å; D485-N489 PolarHBondContact O-ND2 3.03Å
486	S	67.4	Low	71.1	Confident	18 Å²	18	58.9 Å²	58.9	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-57.2	-36.7	179.3	61.7	0	0	0	0	111	D161 Y484 N489 L490	D161-S486 VanDerWaalsContact OD1-CB 3.27Å; D161-S486 WeakPolarHBondContact OD1-CB 3.39Å; D161-S486 PolarHBondContact OD1-OG 2.72Å; Y484-S486 PolarHBondContact O-N 2.79Å; S486-N489 PolarHBondContact O-N 3.27Å; S486-L490 VanDerWaalsContact O-CB 3.29Å; S486-L490 WeakPolarHBondContact O-CB 3.48Å; S486-L490 WeakPolarHBondContact O-CG 3.36Å; S486-L490 PolarHBondContact O-N 2.85Å
487	A	67.2	Low	70	Confident	35 Å²	35	58.9 Å²	58.9	29%	0.289	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-49.1	175.3	0	0	0	0	0	112.1	D485 L490 T491	D485-A487 PolarHBondContact O-N 3.35Å; D485-A487 PolarHBondContact OD1-N 2.69Å; A487-L490 PolarHBondContact O-N 2.76Å; A487-T491 VanDerWaalsContact O-CB 3.31Å; A487-T491 WeakPolarHBondContact O-CB 3.41Å; A487-T491 PolarHBondContact O-N 2.81Å; A487-T491 PolarHBondContact O-OG1 3.35Å
488	N	72.7	Confident	68.8	Low	69 Å²	69	63.9 Å²	63.9	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-68	-38.7	178	-174.9	24.9	0	0	0	112.1	D485 L490 T491 Q492	D485-N488 HydrophobicContact CB-CB 3.84Å; D485-N488 PolarHBondContact O-N 2.77Å; D485-N488 WeakPolarHBondContact OD1-CB 3.47Å; D485-N488 PolarHBondContact OD1-N 3.04Å; D485-N488 WeakPolarHBondContact OD2-CB 3.46Å; N488-L490 PolarHBondContact O-N 3.35Å; N488-T491 PolarHBondContact O-N 2.9Å; N488-Q492 VanDerWaalsContact CG-NE2 3.25Å; N488-Q492 PolarHBondContact ND2-NE2 3.37Å; N488-Q492 VanDerWaalsContact ND2-NE2 3.2Å; N488-Q492 WeakPolarHBondContact O-CB 3.46Å; N488-Q492 WeakPolarHBondContact O-CG 3.39Å; N488-Q492 PolarHBondContact O-N 3.02Å; N488-Q492 PolarHBondContact OD1-NE2 2.99Å
489	N	77	Confident	67.3	Low	18 Å²	18	70.6 Å²	70.6	10%	0.096	37%	0.365	C	S	.	.	H	α-helix	trans	-61.1	-45.3	174.2	-72.7	-26.2	0	0	0	111.4	D485 S486 W493 F518	D485-N489 WeakPolarHBondContact O-CB 3.33Å; D485-N489 PolarHBondContact O-N 3.32Å; D485-N489 PolarHBondContact O-ND2 3.03Å; S486-N489 PolarHBondContact O-N 3.27Å; N489-W493 WeakPolarHBondContact O-CB 3.04Å; N489-W493 PolarHBondContact O-N 3.05Å; N489-F518 HydrophobicContact CB-CD2 4.17Å; N489-F518 HydrophobicContact CB-CE2 4.29Å
490	L	74.8	Confident	66.6	Low	56 Å²	56	73.9 Å²	73.9	29%	0.293	38%	0.38	S	S	.	.	H	α-helix	trans	-65.4	-40.5	176.1	-74	169.6	0	0	0	111.8	V165 A168 S486 A487 N488 W493 A494	V165-L490 HydrophobicContact CG2-CD1 3.78Å; A168-L490 HydrophobicContact CB-CB 4.14Å; S486-L490 VanDerWaalsContact O-CB 3.29Å; S486-L490 WeakPolarHBondContact O-CB 3.48Å; S486-L490 WeakPolarHBondContact O-CG 3.36Å; S486-L490 PolarHBondContact O-N 2.85Å; A487-L490 PolarHBondContact O-N 2.76Å; N488-L490 PolarHBondContact O-N 3.35Å; L490-W493 PolarHBondContact O-N 3.12Å; L490-A494 VanDerWaalsContact O-CB 3.31Å; L490-A494 WeakPolarHBondContact O-CB 3.27Å; L490-A494 PolarHBondContact O-N 3.06Å
491	T	72.1	Confident	66.4	Low	82 Å²	82	75.9 Å²	75.9	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-66.7	-44.3	178.5	-55.7	0	0	0	0	111.4	A487 N488 A494 S495	A487-T491 VanDerWaalsContact O-CB 3.31Å; A487-T491 WeakPolarHBondContact O-CB 3.41Å; A487-T491 PolarHBondContact O-N 2.81Å; A487-T491 PolarHBondContact O-OG1 3.35Å; N488-T491 PolarHBondContact O-N 2.9Å; T491-A494 PolarHBondContact O-N 3.24Å; T491-S495 PolarHBondContact O-N 3.33Å
492	Q	75.6	Confident	66.9	Low	66 Å²	66	77.4 Å²	77.4	31%	0.308	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-46.3	174.2	-75.5	-179.3	48.5	0	0	110.6	N488 A494 S495 F496 F514	N488-Q492 VanDerWaalsContact CG-NE2 3.25Å; N488-Q492 PolarHBondContact ND2-NE2 3.37Å; N488-Q492 VanDerWaalsContact ND2-NE2 3.2Å; N488-Q492 WeakPolarHBondContact O-CB 3.46Å; N488-Q492 WeakPolarHBondContact O-CG 3.39Å; N488-Q492 PolarHBondContact O-N 3.02Å; N488-Q492 PolarHBondContact OD1-NE2 2.99Å; Q492-A494 PolarHBondContact O-N 3.45Å; Q492-S495 WeakPolarHBondContact O-CB 3.47Å; Q492-S495 PolarHBondContact O-N 3.47Å; Q492-S495 VanDerWaalsContact O-N 3.15Å; Q492-S495 PolarHBondContact O-OG 3.4Å; Q492-F496 WeakPolarHBondContact O-CD2 3.43Å; Q492-F496 PolarHBondContact O-N 3.42Å; Q492-F514 HydrophobicContact CB-CD2 3.99Å; Q492-F514 HydrophobicContact CB-CE2 3.73Å; Q492-F514 HydrophobicContact CB-CZ 4.33Å
493	W	79.8	Confident	67.7	Low	135 Å²	135	76.2 Å²	76.2	51%	0.511	40%	0.404	S	S	.	.	H	α-helix	trans	-59.2	-46.2	175	-179.5	-104.2	0	0	0	112.7	N489 L490 S495 F496 A497 L511 F514	N489-W493 WeakPolarHBondContact O-CB 3.04Å; N489-W493 PolarHBondContact O-N 3.05Å; L490-W493 PolarHBondContact O-N 3.12Å; W493-S495 PolarHBondContact O-N 3Å; W493-F496 PolarHBondContact O-N 3.31Å; W493-A497 WeakPolarHBondContact O-CB 3.41Å; W493-A497 PolarHBondContact O-N 3.15Å; W493-L511 HydrophobicContact CE3-CD1 4.45Å; W493-L511 HydrophobicContact CZ3-CD1 4.02Å; W493-F514 HydrophobicContact CB-CE1 4.43Å; W493-F514 HydrophobicContact CB-CZ 4.38Å; W493-F514 AromaticContact CE3-CE1 3.96Å; W493-F514 HydrophobicContact CE3-CE1 3.96Å
494	A	74	Confident	69.2	Low	9 Å²	9	74 Å²	74	7%	0.074	40%	0.395	C	S	.	.	H	α-helix	trans	-58.6	-35.6	176.9	0	0	0	0	0	111.9	L490 T491 Q492 A497 R498	L490-A494 VanDerWaalsContact O-CB 3.31Å; L490-A494 WeakPolarHBondContact O-CB 3.27Å; L490-A494 PolarHBondContact O-N 3.06Å; T491-A494 PolarHBondContact O-N 3.24Å; Q492-A494 PolarHBondContact O-N 3.45Å; A494-A497 PolarHBondContact O-N 2.92Å; A494-R498 WeakPolarHBondContact O-CG 3.49Å; A494-R498 PolarHBondContact O-N 3.16Å
495	S	74.8	Confident	70.2	Confident	65 Å²	65	76.7 Å²	76.7	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-65.1	-36.2	175	81.9	0	0	0	0	113.1	T491 Q492 W493	T491-S495 PolarHBondContact O-N 3.33Å; Q492-S495 WeakPolarHBondContact O-CB 3.47Å; Q492-S495 PolarHBondContact O-N 3.47Å; Q492-S495 VanDerWaalsContact O-N 3.15Å; Q492-S495 PolarHBondContact O-OG 3.4Å; W493-S495 PolarHBondContact O-N 3Å
496	F	76	Confident	70.9	Confident	36 Å²	36	75.9 Å²	75.9	16%	0.158	42%	0.421	C	S	.	.	H	α-helix	trans	-77.8	-35.5	175.7	-67.5	-66.9	0	0	0	112.9	Q492 W493 R498 N510 L511 F514	Q492-F496 WeakPolarHBondContact O-CD2 3.43Å; Q492-F496 PolarHBondContact O-N 3.42Å; W493-F496 PolarHBondContact O-N 3.31Å; F496-R498 VanDerWaalsContact C-N 3.25Å; F496-R498 PolarHBondContact O-N 2.71Å; F496-N510 HydrophobicContact CE1-CB 3.99Å; F496-N510 HydrophobicContact CZ-CB 4.07Å; F496-L511 HydrophobicContact CB-CD1 4.14Å; F496-L511 HydrophobicContact CD1-CB 4.15Å; F496-L511 HydrophobicContact CD1-CD1 4.27Å; F496-L511 HydrophobicContact CD2-CD1 3.94Å; F496-L511 HydrophobicContact CE1-CB 4.1Å; F496-L511 HydrophobicContact CE2-CD1 4.42Å; F496-L511 HydrophobicContact CG-CD1 3.88Å; F496-F514 HydrophobicContact CD2-CD1 4.33Å; F496-F514 HydrophobicContact CE2-CB 3.87Å; F496-F514 HydrophobicContact CE2-CD1 4.13Å; F496-F514 AromaticContact CE2-CG 3.93Å; F496-F514 HydrophobicContact CE2-CG 3.93Å; F496-F514 HydrophobicContact CZ-CB 4.3Å
497	A	68.9	Low	71.4	Confident	34 Å²	34	76.4 Å²	76.4	28%	0.281	43%	0.425	S	S	.	.	H	α-helix	trans	-73.3	-16.1	-179	0	0	0	0	0	113.3	W493 A494 F499	W493-A497 WeakPolarHBondContact O-CB 3.41Å; W493-A497 PolarHBondContact O-N 3.15Å; A494-A497 PolarHBondContact O-N 2.92Å; A497-F499 WeakPolarHBondContact O-CD2 3.32Å; A497-F499 PolarHBondContact O-N 3.37Å
498	R	66.1	Low	72	Confident	105 Å²	105	79.8 Å²	79.8	40%	0.396	44%	0.435	S	S	.	.	S	Bend	trans	-66.1	89.7	162.2	-69.3	168.4	-171.7	-165.8	0.9	106.7	D171 T175 A494 F496 D500	D171-R498 IonicContact OD1-NH2 3.39Å; D171-R498 PolarHBondContact OD1-NH2 3.13Å; D171-R498 IonicContact OD2-CZ 3.49Å; D171-R498 IonicContact OD2-NH2 2.71Å; D171-R498 PolarHBondContact OD2-NH2 3.11Å; T175-R498 HydrophobicContact CG2-CG 4.29Å; A494-R498 WeakPolarHBondContact O-CG 3.49Å; A494-R498 PolarHBondContact O-N 3.16Å; F496-R498 VanDerWaalsContact C-N 3.25Å; F496-R498 PolarHBondContact O-N 2.71Å; R498-D500 PolarHBondContact O-N 3.14Å
499	F	56.7	Low	72.6	Confident	191 Å²	191	82.8 Å²	82.8	84%	0.838	45%	0.445	S	S	*	.			trans	-59.4	76.3	175.4	-66.5	-84.5	0	0	0	110.3	A497 A501	A497-F499 WeakPolarHBondContact O-CD2 3.32Å; A497-F499 PolarHBondContact O-N 3.37Å; F499-A501 PolarHBondContact O-N 3.24Å
500	D	59.7	Low	72.9	Confident	114 Å²	114	86.3 Å²	86.3	61%	0.61	46%	0.463	S	S	*	.			trans	-64.7	135.2	173.5	-109	-18.4	0	0	0	107.7	R498 T502 W503	R498-D500 PolarHBondContact O-N 3.14Å; D500-T502 PolarHBondContact O-N 2.88Å; D500-W503 PolarHBondContact O-N 3.19Å
501	A	60.3	Low	73.4	Confident	111 Å²	111	85.3 Å²	85.3	92%	0.917	46%	0.458	S	S	*	.	S	Bend	trans	-60.3	-9.3	175.7	0	0	0	0	0	112.8	F499	F499-A501 PolarHBondContact O-N 3.24Å
502	T	64.5	Low	74	Confident	99 Å²	99	86 Å²	86	61%	0.607	46%	0.456	S	S	*	.			trans	-105.8	50.2	178.6	55.5	0	0	0	0	111.9	D500 T504	D500-T502 PolarHBondContact O-N 2.88Å; T502-T504 PolarHBondContact O-N 3.23Å
503	W	68.6	Low	74.5	Confident	119 Å²	119	85.8 Å²	85.8	45%	0.451	46%	0.457	S	S	.	.			trans	-65.1	125.3	168.6	-166.5	-95.9	0	0	0	109.9	D500 E508 L511	D500-W503 PolarHBondContact O-N 3.19Å; W503-E508 HydrophobicContact CZ2-CB 4.38Å; W503-L511 HydrophobicContact CH2-CD2 3.99Å; W503-L511 HydrophobicContact CZ2-CD2 4.17Å
504	T	76.3	Confident	74.8	Confident	62 Å²	62	80.1 Å²	80.1	38%	0.38	44%	0.436	S	S	.	.			trans	-119.4	161.8	-179	63.1	0	0	0	0	110.6	T502 S506 S507 E508	T502-T504 PolarHBondContact O-N 3.23Å; T504-S506 PolarHBondContact O-N 3.37Å; T504-S506 PolarHBondContact OG1-OG 3.42Å; T504-S507 PolarHBondContact N-OG 3.22Å; T504-S507 WeakPolarHBondContact O-CA 3.4Å; T504-S507 VanDerWaalsContact O-CB 3.29Å; T504-S507 WeakPolarHBondContact O-CB 3.26Å; T504-S507 PolarHBondContact O-N 2.97Å; T504-S507 PolarHBondContact OG1-N 3.37Å; T504-S507 PolarHBondContact OG1-OG 3.02Å; T504-E508 PolarHBondContact O-N 3.45Å
505	S	76.9	Confident	75.3	Confident	102 Å²	102	83.3 Å²	83.3	71%	0.713	45%	0.451	S	S	*	.	H	α-helix	trans	-59.6	-28.3	172.7	55.3	0	0	0	0	113	K509	S505-K509 PolarHBondContact O-N 3.48Å
506	S	79.7	Confident	75.8	Confident	67 Å²	67	85.8 Å²	85.8	47%	0.469	45%	0.453	S	S	.	.	H	α-helix	trans	-67	-36.2	170.3	39.2	0	0	0	0	113.1	T504 E508 K509 N510	T504-S506 PolarHBondContact O-N 3.37Å; T504-S506 PolarHBondContact OG1-OG 3.42Å; S506-E508 VanDerWaalsContact C-N 3.35Å; S506-K509 PolarHBondContact O-N 2.92Å; S506-N510 WeakPolarHBondContact O-CB 3.23Å; S506-N510 PolarHBondContact O-N 2.62Å; S506-N510 PolarHBondContact O-ND2 2.89Å
507	S	78	Confident	76.1	Confident	30 Å²	30	90.8 Å²	90.8	21%	0.21	48%	0.475	C	S	.	.	H	α-helix	trans	-64.7	-41	176.5	-51.7	0	0	0	0	111.3	T504 N510 L511	T504-S507 PolarHBondContact N-OG 3.22Å; T504-S507 WeakPolarHBondContact O-CA 3.4Å; T504-S507 VanDerWaalsContact O-CB 3.29Å; T504-S507 WeakPolarHBondContact O-CB 3.26Å; T504-S507 PolarHBondContact O-N 2.97Å; T504-S507 PolarHBondContact OG1-N 3.37Å; T504-S507 PolarHBondContact OG1-OG 3.02Å; S507-N510 PolarHBondContact O-N 3.15Å; S507-L511 PolarHBondContact O-N 3.41Å
508	E	80	Confident	76.6	Confident	105 Å²	105	92.9 Å²	92.9	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-63.4	-45.9	176.8	-171.5	172.9	-166.3	0	0	112	W503 T504 S506 N510 L511 E512	W503-E508 HydrophobicContact CZ2-CB 4.38Å; T504-E508 PolarHBondContact O-N 3.45Å; S506-E508 VanDerWaalsContact C-N 3.35Å; E508-N510 PolarHBondContact O-N 3.46Å; E508-L511 WeakPolarHBondContact O-CB 3.36Å; E508-L511 PolarHBondContact O-N 3.5Å; E508-E512 PolarHBondContact O-N 3.31Å
509	K	83.9	Confident	77.3	Confident	132 Å²	132	93.3 Å²	93.3	57%	0.574	48%	0.484	S	S	*	.	H	α-helix	trans	-61.8	-42.3	175.1	-172.8	178.8	178.4	-178.9	0	112.4	S505 S506 L511 E512 D513	S505-K509 PolarHBondContact O-N 3.48Å; S506-K509 PolarHBondContact O-N 2.92Å; K509-L511 VanDerWaalsContact C-N 3.3Å; K509-L511 PolarHBondContact O-N 3.21Å; K509-E512 PolarHBondContact O-N 2.84Å; K509-D513 WeakPolarHBondContact O-CB 3.13Å; K509-D513 PolarHBondContact O-N 3.47Å
510	N	84.3	Confident	78.2	Confident	92 Å²	92	86.8 Å²	86.8	49%	0.492	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-37.6	177.1	-71.5	-16.2	0	0	0	111.9	F496 S506 S507 E508 F514	F496-N510 HydrophobicContact CE1-CB 3.99Å; F496-N510 HydrophobicContact CZ-CB 4.07Å; S506-N510 WeakPolarHBondContact O-CB 3.23Å; S506-N510 PolarHBondContact O-N 2.62Å; S506-N510 PolarHBondContact O-ND2 2.89Å; S507-N510 PolarHBondContact O-N 3.15Å; E508-N510 PolarHBondContact O-N 3.46Å; N510-F514 WeakPolarHBondContact O-CB 3.29Å; N510-F514 PolarHBondContact O-N 2.66Å
511	L	84.8	Confident	78.6	Confident	36 Å²	36	84.1 Å²	84.1	19%	0.188	45%	0.452	C	S	.	.	H	α-helix	trans	-65.6	-45.9	174.6	177.8	64.7	0	0	0	111.4	W493 F496 W503 S507 E508 K509 D513 F514 I515	W493-L511 HydrophobicContact CE3-CD1 4.45Å; W493-L511 HydrophobicContact CZ3-CD1 4.02Å; F496-L511 HydrophobicContact CB-CD1 4.14Å; F496-L511 HydrophobicContact CD1-CB 4.15Å; F496-L511 HydrophobicContact CD1-CD1 4.27Å; F496-L511 HydrophobicContact CD2-CD1 3.94Å; F496-L511 HydrophobicContact CE1-CB 4.1Å; F496-L511 HydrophobicContact CE2-CD1 4.42Å; F496-L511 HydrophobicContact CG-CD1 3.88Å; W503-L511 HydrophobicContact CH2-CD2 3.99Å; W503-L511 HydrophobicContact CZ2-CD2 4.17Å; S507-L511 PolarHBondContact O-N 3.41Å; E508-L511 WeakPolarHBondContact O-CB 3.36Å; E508-L511 PolarHBondContact O-N 3.5Å; K509-L511 VanDerWaalsContact C-N 3.3Å; K509-L511 PolarHBondContact O-N 3.21Å; L511-D513 VanDerWaalsContact C-N 3.35Å; L511-D513 PolarHBondContact O-N 2.87Å; L511-F514 HydrophobicContact CD1-CD1 4.36Å; L511-F514 WeakPolarHBondContact O-CB 3.24Å; L511-F514 PolarHBondContact O-N 2.81Å; L511-I515 HydrophobicContact CD1-CD1 3.99Å; L511-I515 HydrophobicContact CD1-CG1 4.22Å; L511-I515 HydrophobicContact CG-CD1 3.91Å; L511-I515 HydrophobicContact CG-CG1 4.48Å; L511-I515 WeakPolarHBondContact O-CG1 3.28Å; L511-I515 PolarHBondContact O-N 2.94Å
512	E	85.6	Confident	78.9	Confident	96 Å²	96	81 Å²	81	45%	0.449	42%	0.423	S	S	.	.	H	α-helix	trans	-59.2	-45.5	175.1	-76.3	-170.7	-169.3	0	0	112.2	E508 K509 F514 I515 K516	E508-E512 PolarHBondContact O-N 3.31Å; K509-E512 PolarHBondContact O-N 2.84Å; E512-F514 VanDerWaalsContact C-N 3.3Å; E512-F514 PolarHBondContact O-N 2.87Å; E512-I515 PolarHBondContact O-N 3.39Å; E512-K516 WeakPolarHBondContact O-CB 3.36Å; E512-K516 VanDerWaalsContact O-CG 3.31Å; E512-K516 WeakPolarHBondContact O-CG 3.33Å; E512-K516 PolarHBondContact O-N 3.33Å; E512-K516 IonicContact OE2-NZ 3.77Å; E512-K516 PolarHBondContact OE2-NZ 2.78Å
513	D	86.2	Confident	78.5	Confident	62 Å²	62	83.4 Å²	83.4	33%	0.332	43%	0.427	S	S	.	.	H	α-helix	trans	-64.6	-37.1	178.9	-74.9	-17	0	0	0	111.2	K509 L511 K517	K509-D513 WeakPolarHBondContact O-CB 3.13Å; K509-D513 PolarHBondContact O-N 3.47Å; L511-D513 VanDerWaalsContact C-N 3.35Å; L511-D513 PolarHBondContact O-N 2.87Å; D513-K517 VanDerWaalsContact O-CG 3.28Å; D513-K517 WeakPolarHBondContact O-CG 3.35Å; D513-K517 PolarHBondContact O-N 3.14Å; D513-K517 VanDerWaalsContact O-N 3.14Å
514	F	85.8	Confident	77.9	Confident	15 Å²	15	82 Å²	82	7%	0.066	43%	0.428	C	S	.	.	H	α-helix	trans	-63.4	-50.8	171.6	167.1	-103.8	0	0	0	111.7	Q492 W493 F496 N510 L511 E512 K516 K517 F518	Q492-F514 HydrophobicContact CB-CD2 3.99Å; Q492-F514 HydrophobicContact CB-CE2 3.73Å; Q492-F514 HydrophobicContact CB-CZ 4.33Å; W493-F514 HydrophobicContact CB-CE1 4.43Å; W493-F514 HydrophobicContact CB-CZ 4.38Å; W493-F514 AromaticContact CE3-CE1 3.96Å; W493-F514 HydrophobicContact CE3-CE1 3.96Å; F496-F514 HydrophobicContact CD2-CD1 4.33Å; F496-F514 HydrophobicContact CE2-CB 3.87Å; F496-F514 HydrophobicContact CE2-CD1 4.13Å; F496-F514 AromaticContact CE2-CG 3.93Å; F496-F514 HydrophobicContact CE2-CG 3.93Å; F496-F514 HydrophobicContact CZ-CB 4.3Å; N510-F514 WeakPolarHBondContact O-CB 3.29Å; N510-F514 PolarHBondContact O-N 2.66Å; L511-F514 HydrophobicContact CD1-CD1 4.36Å; L511-F514 WeakPolarHBondContact O-CB 3.24Å; L511-F514 PolarHBondContact O-N 2.81Å; E512-F514 VanDerWaalsContact C-N 3.3Å; E512-F514 PolarHBondContact O-N 2.87Å; F514-K516 VanDerWaalsContact C-N 3.34Å; F514-K516 PolarHBondContact O-N 3.4Å; F514-K517 WeakPolarHBondContact O-CB 3.48Å; F514-K517 PolarHBondContact O-N 2.91Å; F514-K517 VanDerWaalsContact O-N 3.14Å; F514-F518 HydrophobicContact CZ-CB 4.44Å; F514-F518 HydrophobicContact CZ-CD2 4.41Å; F514-F518 WeakPolarHBondContact O-CB 3.34Å; F514-F518 PolarHBondContact O-N 3.49Å
515	I	84.7	Confident	76.8	Confident	77 Å²	77	86.5 Å²	86.5	40%	0.395	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-43.3	-178.9	-69.2	171	0	0	0	110.7	L511 E512 K517 F518 E519	L511-I515 HydrophobicContact CD1-CD1 3.99Å; L511-I515 HydrophobicContact CD1-CG1 4.22Å; L511-I515 HydrophobicContact CG-CD1 3.91Å; L511-I515 HydrophobicContact CG-CG1 4.48Å; L511-I515 WeakPolarHBondContact O-CG1 3.28Å; L511-I515 PolarHBondContact O-N 2.94Å; E512-I515 PolarHBondContact O-N 3.39Å; I515-K517 VanDerWaalsContact C-N 3.33Å; I515-K517 PolarHBondContact O-N 3.22Å; I515-F518 PolarHBondContact O-N 3.24Å; I515-E519 WeakPolarHBondContact O-CB 3.45Å; I515-E519 PolarHBondContact O-N 2.92Å
516	K	85.9	Confident	75.7	Confident	116 Å²	116	87.1 Å²	87.1	50%	0.504	43%	0.428	S	S	.	.	H	α-helix	trans	-59.9	-42.2	175.6	-73.8	169.5	-172.5	155.8	0	112	E512 F514 A520	E512-K516 WeakPolarHBondContact O-CB 3.36Å; E512-K516 VanDerWaalsContact O-CG 3.31Å; E512-K516 WeakPolarHBondContact O-CG 3.33Å; E512-K516 PolarHBondContact O-N 3.33Å; E512-K516 IonicContact OE2-NZ 3.77Å; E512-K516 PolarHBondContact OE2-NZ 2.78Å; F514-K516 VanDerWaalsContact C-N 3.34Å; F514-K516 PolarHBondContact O-N 3.4Å; K516-A520 VanDerWaalsContact O-CB 3.27Å; K516-A520 WeakPolarHBondContact O-CB 3.34Å; K516-A520 PolarHBondContact O-N 3.2Å
517	K	81.9	Confident	74.4	Confident	142 Å²	142	88.8 Å²	88.8	62%	0.617	43%	0.431	S	S	*	.	H	α-helix	trans	-67	-42.3	175.2	-74.4	173.1	-175.6	175.4	0	111.9	D513 F514 I515 A520 N521	D513-K517 VanDerWaalsContact O-CG 3.28Å; D513-K517 WeakPolarHBondContact O-CG 3.35Å; D513-K517 PolarHBondContact O-N 3.14Å; D513-K517 VanDerWaalsContact O-N 3.14Å; F514-K517 WeakPolarHBondContact O-CB 3.48Å; F514-K517 PolarHBondContact O-N 2.91Å; F514-K517 VanDerWaalsContact O-N 3.14Å; I515-K517 VanDerWaalsContact C-N 3.33Å; I515-K517 PolarHBondContact O-N 3.22Å; K517-A520 PolarHBondContact O-N 2.92Å; K517-N521 WeakPolarHBondContact O-CB 3.32Å; K517-N521 PolarHBondContact O-N 2.82Å; K517-N521 PolarHBondContact O-ND2 3.38Å
518	F	79.8	Confident	73.3	Confident	77 Å²	77	90 Å²	90	34%	0.338	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-48.9	178	178.5	-92.4	0	0	0	111.2	Y484 N489 F514 I515 N521 S522	Y484-F518 HydrophobicContact CE2-CE2 4.46Å; Y484-F518 WeakPolarHBondContact OH-CE2 3.47Å; N489-F518 HydrophobicContact CB-CD2 4.17Å; N489-F518 HydrophobicContact CB-CE2 4.29Å; F514-F518 HydrophobicContact CZ-CB 4.44Å; F514-F518 HydrophobicContact CZ-CD2 4.41Å; F514-F518 WeakPolarHBondContact O-CB 3.34Å; F514-F518 PolarHBondContact O-N 3.49Å; I515-F518 PolarHBondContact O-N 3.24Å; F518-N521 PolarHBondContact O-N 2.84Å; F518-S522 WeakPolarHBondContact O-CB 3.49Å; F518-S522 PolarHBondContact O-N 3.45Å
519	E	79.5	Confident	72.7	Confident	114 Å²	114	88.2 Å²	88.2	53%	0.533	43%	0.429	S	S	.	.	H	α-helix	trans	-60.4	-48.8	176.3	-175	178.4	-155.7	0	0	111	I515 N521 S522 H523	I515-E519 WeakPolarHBondContact O-CB 3.45Å; I515-E519 PolarHBondContact O-N 2.92Å; E519-N521 VanDerWaalsContact C-N 3.29Å; E519-N521 PolarHBondContact O-N 3.25Å; E519-S522 WeakPolarHBondContact O-CB 3.06Å; E519-S522 PolarHBondContact O-N 3.44Å; E519-S522 VanDerWaalsContact O-N 3.09Å; E519-S522 PolarHBondContact O-OG 2.91Å; E519-H523 PolarHBondContact O-CD2 3.19Å
520	A	76.2	Confident	72.7	Confident	54 Å²	54	84.2 Å²	84.2	45%	0.446	41%	0.414	S	S	.	.	H	α-helix	trans	-56.5	-43.1	177.1	0	0	0	0	0	112.2	K516 K517 L524	K516-A520 VanDerWaalsContact O-CB 3.27Å; K516-A520 WeakPolarHBondContact O-CB 3.34Å; K516-A520 PolarHBondContact O-N 3.2Å; K517-A520 PolarHBondContact O-N 2.92Å; A520-L524 WeakPolarHBondContact O-CD1 3.35Å
521	N	68.8	Low	72.8	Confident	59 Å²	59	80.7 Å²	80.7	32%	0.316	40%	0.395	S	S	.	.	H	α-helix	trans	-72.8	-26.9	179.1	-69	-18.2	0	0	0	113	K517 F518 E519 H523 L524	K517-N521 WeakPolarHBondContact O-CB 3.32Å; K517-N521 PolarHBondContact O-N 2.82Å; K517-N521 PolarHBondContact O-ND2 3.38Å; F518-N521 PolarHBondContact O-N 2.84Å; E519-N521 VanDerWaalsContact C-N 3.29Å; E519-N521 PolarHBondContact O-N 3.25Å; N521-H523 VanDerWaalsContact C-N 3.29Å; N521-H523 PolarHBondContact O-N 3.07Å; N521-L524 WeakPolarHBondContact O-CB 3.32Å; N521-L524 PolarHBondContact O-N 3.23Å; N521-L524 VanDerWaalsContact O-N 3.16Å
522	S	65	Low	73	Confident	46 Å²	46	79.2 Å²	79.2	32%	0.322	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-33.8	179.7	76.8	0	0	0	0	112.7	F518 E519 L524	F518-S522 WeakPolarHBondContact O-CB 3.49Å; F518-S522 PolarHBondContact O-N 3.45Å; E519-S522 WeakPolarHBondContact O-CB 3.06Å; E519-S522 PolarHBondContact O-N 3.44Å; E519-S522 VanDerWaalsContact O-N 3.09Å; E519-S522 PolarHBondContact O-OG 2.91Å; S522-L524 VanDerWaalsContact C-N 3.29Å; S522-L524 PolarHBondContact O-N 3.4Å
523	H	57.4	Low	72.9	Confident	148 Å²	148	77.7 Å²	77.7	69%	0.685	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.1	177.3	-62.1	-61.4	0	0	0	113.6	E519 N521 R525	E519-H523 PolarHBondContact O-CD2 3.19Å; N521-H523 VanDerWaalsContact C-N 3.29Å; N521-H523 PolarHBondContact O-N 3.07Å; H523-R525 VanDerWaalsContact C-N 3.29Å; H523-R525 PolarHBondContact O-N 3.14Å
524	L	55.3	Low	72.9	Confident	89 Å²	89	76.3 Å²	76.3	47%	0.466	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	4.5	-178.6	-100.5	131.5	0	0	0	113.9	A520 N521 S522 K526	A520-L524 WeakPolarHBondContact O-CD1 3.35Å; N521-L524 WeakPolarHBondContact O-CB 3.32Å; N521-L524 PolarHBondContact O-N 3.23Å; N521-L524 VanDerWaalsContact O-N 3.16Å; S522-L524 VanDerWaalsContact C-N 3.29Å; S522-L524 PolarHBondContact O-N 3.4Å; L524-K526 PolarHBondContact O-N 2.98Å
525	R	52.4	Low	73	Confident	158 Å²	158	75.6 Å²	75.6	60%	0.596	37%	0.368	S	S	*	.			trans	-64.2	82	168.8	-86.5	-170.2	174.6	-173.7	-1.2	109.6	H523	H523-R525 VanDerWaalsContact C-N 3.29Å; H523-R525 PolarHBondContact O-N 3.14Å
526	K	53.6	Low	73.1	Confident	114 Å²	114	74 Å²	74	50%	0.496	36%	0.359	S	S	.	.			trans	-60.2	145.4	167.3	-68.5	-174.6	176.5	-175	0	108.5	L524 T528	L524-K526 PolarHBondContact O-N 2.98Å; K526-T528 PolarHBondContact O-N 3.11Å
527	D	53.4	Low	72.9	Confident	102 Å²	102	69.1 Å²	69.1	55%	0.545	34%	0.341	S	S	.	.			trans	-57.6	103.8	172.4	-172.1	-8.6	0	0	0	108.4	H529 N530	D527-H529 PolarHBondContact O-N 3.28Å; D527-H529 WeakPolarHBondContact OD1-CB 3.42Å; D527-H529 IonicContact OD1-CD2 2.71Å; D527-H529 IonicContact OD1-CG 3.6Å; D527-H529 PolarHBondContact OD1-N 3.42Å; D527-H529 VanDerWaalsContact OD1-N 3.08Å; D527-N530 PolarHBondContact O-N 2.97Å
528	T	55.8	Low	73	Confident	56 Å²	56	63 Å²	63	34%	0.344	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-4.8	-178.9	51.1	0	0	0	0	112.1	R288 K526	R288-T528 PolarHBondContact NH1-O 2.84Å; K526-T528 PolarHBondContact O-N 3.11Å
529	H	67.2	Low	73.3	Confident	67 Å²	67	59.3 Å²	59.3	31%	0.31	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	1.4	177.1	-51.1	-62.6	0	0	0	114.8	E248 R288 D527 D531	E248-H529 IonicContact OE1-CE1 2.8Å; E248-H529 PolarHBondContact OE1-CE1 3.32Å; E248-H529 IonicContact OE1-ND1 3.75Å; E248-H529 IonicContact OE2-CE1 2.66Å; E248-H529 PolarHBondContact OE2-CE1 3.14Å; E248-H529 VanDerWaalsContact OE2-CE1 3.25Å; E248-H529 IonicContact OE2-NE2 3.23Å; R288-H529 PolarHBondContact NH1-ND1 3.34Å; D527-H529 PolarHBondContact O-N 3.28Å; D527-H529 WeakPolarHBondContact OD1-CB 3.42Å; D527-H529 IonicContact OD1-CD2 2.71Å; D527-H529 IonicContact OD1-CG 3.6Å; D527-H529 PolarHBondContact OD1-N 3.42Å; D527-H529 VanDerWaalsContact OD1-N 3.08Å; H529-D531 PolarHBondContact O-N 2.89Å
530	N	83.4	Confident	73.2	Confident	48 Å²	48	56.2 Å²	56.2	26%	0.257	29%	0.288	S	S	.	.			trans	-82.9	97.2	168.6	-170	-16.4	0	0	0	110.8	D527 L532 E533 Y534	D527-N530 PolarHBondContact O-N 2.97Å; N530-L532 VanDerWaalsContact C-N 3.25Å; N530-L532 PolarHBondContact O-N 3.07Å; N530-L532 WeakPolarHBondContact OD1-CB 3.29Å; N530-L532 PolarHBondContact OD1-N 2.89Å; N530-L532 VanDerWaalsContact OD1-N 3.1Å; N530-E533 HydrophobicContact CB-CB 4.14Å; N530-E533 HydrophobicContact CB-CG 4.29Å; N530-E533 VanDerWaalsContact ND2-CD 3.29Å; N530-E533 WeakPolarHBondContact ND2-CG 3.18Å; N530-E533 PolarHBondContact ND2-OE1 3.41Å; N530-E533 PolarHBondContact O-N 3.06Å; N530-E533 PolarHBondContact OD1-N 3.27Å; N530-Y534 WeakPolarHBondContact O-CB 3.33Å; N530-Y534 PolarHBondContact O-N 3.37Å
531	D	86.3	Confident	72.6	Confident	18 Å²	18	57.9 Å²	57.9	10%	0.096	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-32	179.8	-69.8	-72	0	0	0	113.5	A329 L330 R333 H529 I535	A329-D531 HydrophobicContact CB-CB 4.34Å; L330-D531 WeakPolarHBondContact CD1-OD2 3.37Å; R333-D531 WeakPolarHBondContact CD-OD1 3.44Å; R333-D531 IonicContact CZ-OD1 3.53Å; R333-D531 IonicContact NE-OD1 3.89Å; R333-D531 IonicContact NH1-OD1 3.38Å; R333-D531 PolarHBondContact NH1-OD1 3.35Å; H529-D531 PolarHBondContact O-N 2.89Å; D531-I535 WeakPolarHBondContact O-CB 3.34Å; D531-I535 WeakPolarHBondContact O-CD1 3.42Å; D531-I535 WeakPolarHBondContact O-CG1 3.41Å; D531-I535 PolarHBondContact O-N 2.66Å
532	L	87.9	Confident	71.8	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-67.3	-47.9	179	-71.8	167.4	0	0	0	111.1	I325 P326 A329 Q401 M404 F405 N530 I535 Q536	I325-L532 HydrophobicContact CG2-CD1 4.13Å; I325-L532 HydrophobicContact CG2-CD2 3.95Å; P326-L532 HydrophobicContact CG-CD1 4.35Å; A329-L532 HydrophobicContact CB-CD2 3.64Å; A329-L532 HydrophobicContact CB-CG 4.06Å; Q401-L532 HydrophobicContact CB-CD1 4.18Å; Q401-L532 HydrophobicContact CG-CD1 4.05Å; M404-L532 HydrophobicContact CB-CB 3.88Å; M404-L532 HydrophobicContact CB-CD2 3.98Å; M404-L532 HydrophobicContact CB-CG 4.44Å; M404-L532 HydrophobicContact SD-CB 4Å; F405-L532 HydrophobicContact CB-CD2 4.03Å; N530-L532 VanDerWaalsContact C-N 3.25Å; N530-L532 PolarHBondContact O-N 3.07Å; N530-L532 WeakPolarHBondContact OD1-CB 3.29Å; N530-L532 PolarHBondContact OD1-N 2.89Å; N530-L532 VanDerWaalsContact OD1-N 3.1Å; L532-I535 PolarHBondContact O-N 2.76Å; L532-Q536 WeakPolarHBondContact O-CB 3.44Å; L532-Q536 PolarHBondContact O-N 3.41Å
533	E	84.2	Confident	71	Confident	64 Å²	64	62 Å²	62	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-41.7	176.8	-74.8	177.1	-146.8	0	0	112	M404 N530 Q536 G537	M404-E533 HydrophobicContact CE-CG 4.41Å; M404-E533 HydrophobicContact SD-CG 4.37Å; N530-E533 HydrophobicContact CB-CB 4.14Å; N530-E533 HydrophobicContact CB-CG 4.29Å; N530-E533 VanDerWaalsContact ND2-CD 3.29Å; N530-E533 WeakPolarHBondContact ND2-CG 3.18Å; N530-E533 PolarHBondContact ND2-OE1 3.41Å; N530-E533 PolarHBondContact O-N 3.06Å; N530-E533 PolarHBondContact OD1-N 3.27Å; E533-Q536 PolarHBondContact O-N 2.9Å; E533-G537 PolarHBondContact O-N 3.37Å
534	Y	86.6	Confident	70.2	Confident	33 Å²	33	58.5 Å²	58.5	13%	0.129	31%	0.31	C	S	.	.	H	α-helix	trans	-57.6	-52	175.8	168.7	-94.4	0	0	0	110.7	R333 M474 T476 N530 G537 L538	R333-Y534 HydrophobicContact CG-CE1 4.37Å; R333-Y534 VanDerWaalsContact NE-CE1 3.25Å; R333-Y534 VanDerWaalsContact NH2-CE1 3.28Å; R333-Y534 VanDerWaalsContact NH2-CZ 3.3Å; M474-Y534 PolarHBondContact O-OH 3.29Å; T476-Y534 WeakPolarHBondContact CG2-OH 3.37Å; T476-Y534 PolarHBondContact N-OH 3.14Å; T476-Y534 PolarHBondContact O-OH 2.89Å; T476-Y534 VanDerWaalsContact O-OH 3.1Å; N530-Y534 WeakPolarHBondContact O-CB 3.33Å; N530-Y534 PolarHBondContact O-N 3.37Å; Y534-G537 PolarHBondContact O-N 2.89Å; Y534-L538 HydrophobicContact CE1-CD1 3.87Å; Y534-L538 HydrophobicContact CE1-CD2 4.37Å; Y534-L538 HydrophobicContact CE1-CG 4.21Å; Y534-L538 HydrophobicContact CE2-CD2 4.44Å; Y534-L538 PolarHBondContact O-N 3.41Å
535	I	86.9	Confident	69.5	Low	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-48	-177.5	-67.1	166	0	0	0	109.9	A329 R333 A408 L411 D531 L532 G537 L538	A329-I535 HydrophobicContact CB-CD1 4.29Å; R333-I535 HydrophobicContact CB-CD1 4.02Å; R333-I535 HydrophobicContact CB-CG1 4.5Å; A408-I535 HydrophobicContact CB-CD1 3.47Å; A408-I535 VanDerWaalsContact CB-CD1 3.47Å; A408-I535 HydrophobicContact CB-CG2 4.17Å; L411-I535 HydrophobicContact CD2-CG2 4.42Å; D531-I535 WeakPolarHBondContact O-CB 3.34Å; D531-I535 WeakPolarHBondContact O-CD1 3.42Å; D531-I535 WeakPolarHBondContact O-CG1 3.41Å; D531-I535 PolarHBondContact O-N 2.66Å; L532-I535 PolarHBondContact O-N 2.76Å; I535-G537 PolarHBondContact O-N 3.19Å; I535-L538 VanDerWaalsContact O-CB 3.23Å; I535-L538 WeakPolarHBondContact O-CB 3.2Å; I535-L538 PolarHBondContact O-N 2.81Å
536	Q	86.9	Confident	68.6	Low	45 Å²	45	58.9 Å²	58.9	21%	0.21	33%	0.33	C	S	.	.	H	α-helix	trans	-53.7	-43	175.4	-179.7	-175.2	46.2	0	0	111.2	M404 Y407 L532 E533 L538 W539 T540	M404-Q536 HydrophobicContact CG-CB 4.35Å; Y407-Q536 HydrophobicContact CD2-CB 4.07Å; Y407-Q536 HydrophobicContact CD2-CG 3.95Å; Y407-Q536 HydrophobicContact CE2-CB 4.43Å; Y407-Q536 HydrophobicContact CE2-CG 3.8Å; L532-Q536 WeakPolarHBondContact O-CB 3.44Å; L532-Q536 PolarHBondContact O-N 3.41Å; E533-Q536 PolarHBondContact O-N 2.9Å; Q536-L538 PolarHBondContact O-N 2.97Å; Q536-W539 PolarHBondContact O-N 3.21Å; Q536-T540 HydrophobicContact CG-CG2 3.88Å; Q536-T540 PolarHBondContact O-N 3.37Å; Q536-T540 PolarHBondContact O-OG1 2.75Å
537	G	82.7	Confident	68	Low	13 Å²	13	55.7 Å²	55.7	13%	0.134	33%	0.325	C	S	.	.	H	α-helix	trans	-57	-33.4	177.6	0	0	0	0	0	113.7	E533 Y534 I535 W539 H541	E533-G537 PolarHBondContact O-N 3.37Å; Y534-G537 PolarHBondContact O-N 2.89Å; I535-G537 PolarHBondContact O-N 3.19Å; G537-W539 PolarHBondContact O-N 2.94Å; G537-H541 WeakPolarHBondContact CA-CD2 3.44Å; G537-H541 WeakPolarHBondContact O-CB 3.32Å; G537-H541 PolarHBondContact O-CD2 3.25Å; G537-H541 VanDerWaalsContact O-CD2 3.29Å; G537-H541 PolarHBondContact O-N 2.93Å
538	L	84.1	Confident	67.4	Low	12 Å²	12	59.1 Å²	59.1	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-58.6	-35.5	173.2	-61.5	177.8	0	0	0	111.5	L411 L469 P471 M474 Y534 I535 Q536	L411-L538 HydrophobicContact CD1-CD1 4.48Å; L411-L538 HydrophobicContact CD2-CD1 4.1Å; L469-L538 WeakPolarHBondContact CD2-O 3.43Å; P471-L538 HydrophobicContact CB-CB 4.42Å; M474-L538 HydrophobicContact CB-CD2 4.01Å; Y534-L538 HydrophobicContact CE1-CD1 3.87Å; Y534-L538 HydrophobicContact CE1-CD2 4.37Å; Y534-L538 HydrophobicContact CE1-CG 4.21Å; Y534-L538 HydrophobicContact CE2-CD2 4.44Å; Y534-L538 PolarHBondContact O-N 3.41Å; I535-L538 VanDerWaalsContact O-CB 3.23Å; I535-L538 WeakPolarHBondContact O-CB 3.2Å; I535-L538 PolarHBondContact O-N 2.81Å; Q536-L538 PolarHBondContact O-N 2.97Å
539	W	86	Confident	67.2	Low	1 Å²	1	60.4 Å²	60.4	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-89.9	-38.1	-175.7	-57.5	90.9	0	0	0	113.1	Y407 A410 L411 L414 I460 T464 R467 P471 Q536 G537	Y407-W539 VanDerWaalsContact CB-CD1 3.49Å; Y407-W539 HydrophobicContact CD1-CB 3.63Å; Y407-W539 AromaticContact CD1-CD1 3.26Å; Y407-W539 AromaticContact CD1-CD2 3.7Å; Y407-W539 HydrophobicContact CD1-CD2 3.7Å; Y407-W539 AromaticContact CD1-CE2 4Å; Y407-W539 HydrophobicContact CD1-CE3 4.46Å; Y407-W539 AromaticContact CD1-CG 3.25Å; Y407-W539 HydrophobicContact CD1-CG 3.25Å; Y407-W539 AromaticContact CD1-NE1 3.76Å; Y407-W539 HydrophobicContact CE1-CB 3.58Å; Y407-W539 HydrophobicContact CE1-CD2 4.3Å; Y407-W539 AromaticContact CE1-CG 3.75Å; Y407-W539 HydrophobicContact CE1-CG 3.75Å; Y407-W539 HydrophobicContact CG-CB 4.5Å; Y407-W539 AromaticContact CG-CD1 3.59Å; Y407-W539 HydrophobicContact CG-CG 4.05Å; Y407-W539 PolarHBondContact O-NE1 3.47Å; A410-W539 HydrophobicContact CB-CH2 3.88Å; A410-W539 HydrophobicContact CB-CZ2 3.81Å; L411-W539 HydrophobicContact CB-CZ2 3.93Å; L411-W539 HydrophobicContact CD1-CZ2 4.39Å; L414-W539 HydrophobicContact CD2-CH2 4.35Å; I460-W539 HydrophobicContact CG2-CD2 4.01Å; I460-W539 HydrophobicContact CG2-CE3 3.49Å; I460-W539 VanDerWaalsContact CG2-CE3 3.49Å; I460-W539 HydrophobicContact CG2-CH2 3.97Å; I460-W539 HydrophobicContact CG2-CZ2 4.45Å; I460-W539 HydrophobicContact CG2-CZ3 3.45Å; I460-W539 VanDerWaalsContact CG2-CZ3 3.45Å; T464-W539 HydrophobicContact CG2-CE3 3.95Å; T464-W539 HydrophobicContact CG2-CZ3 3.89Å; T464-W539 WeakPolarHBondContact OG1-CZ3 3.46Å; R467-W539 PolarHBondContact NH1-O 2.95Å; P471-W539 HydrophobicContact CB-CD2 4.34Å; P471-W539 HydrophobicContact CB-CE3 4.47Å; P471-W539 HydrophobicContact CB-CH2 4.41Å; P471-W539 HydrophobicContact CB-CZ2 4.23Å; P471-W539 HydrophobicContact CG-CD2 4.27Å; P471-W539 HydrophobicContact CG-CE3 3.98Å; P471-W539 HydrophobicContact CG-CH2 3.52Å; P471-W539 HydrophobicContact CG-CZ2 3.8Å; P471-W539 HydrophobicContact CG-CZ3 3.62Å; Q536-W539 PolarHBondContact O-N 3.21Å; G537-W539 PolarHBondContact O-N 2.94Å
540	T	76.3	Confident	66.3	Low	48 Å²	48	65.6 Å²	65.6	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-93.5	-29.1	-168.2	57.4	0	0	0	0	114.5	Q536 N542	Q536-T540 HydrophobicContact CG-CG2 3.88Å; Q536-T540 PolarHBondContact O-N 3.37Å; Q536-T540 PolarHBondContact O-OG1 2.75Å; T540-N542 PolarHBondContact O-N 3.44Å
541	H	65.1	Low	65	Low	89 Å²	89	67.4 Å²	67.4	41%	0.412	39%	0.388	S	S	.	.	S	Bend	trans	-73	126.2	-178.6	-72.8	-63	0	0	0	109.6	G537 V543	G537-H541 WeakPolarHBondContact CA-CD2 3.44Å; G537-H541 WeakPolarHBondContact O-CB 3.32Å; G537-H541 PolarHBondContact O-CD2 3.25Å; G537-H541 VanDerWaalsContact O-CD2 3.29Å; G537-H541 PolarHBondContact O-N 2.93Å; H541-V543 PolarHBondContact O-N 3.46Å
542	N	51.4	Low	64	Low	143 Å²	143	73.4 Å²	73.4	77%	0.765	41%	0.413	S	S	*	.			trans	-61.6	95.7	163.2	-77.9	-18.3	0	0	0	106.4	T540 G544	T540-N542 PolarHBondContact O-N 3.44Å; N542-G544 PolarHBondContact O-N 2.87Å
543	V	48.7	Very low	63.2	Low	50 Å²	50	75.1 Å²	75.1	30%	0.303	43%	0.425	S	S	.	.			trans	-72	65	163.5	-174.8	0	0	0	0	105.7	L469 M474 H541 Q545 A546	L469-V543 HydrophobicContact CD1-CB 4.2Å; L469-V543 HydrophobicContact CD1-CG2 4.01Å; M474-V543 HydrophobicContact CE-CB 4.43Å; M474-V543 HydrophobicContact CE-CG1 4.23Å; M474-V543 HydrophobicContact CE-CG2 3.6Å; H541-V543 PolarHBondContact O-N 3.46Å; V543-Q545 WeakPolarHBondContact CG1-O 3.35Å; V543-Q545 CarbonylContact O-C 3.22Å; V543-Q545 PolarHBondContact O-N 2.83Å; V543-A546 PolarHBondContact O-N 3.4Å
544	G	40.6	Very low	62.8	Low	73 Å²	73	75.9 Å²	75.9	75%	0.753	43%	0.434	S	S	*	.			trans	-77.5	4.5	-176.8	0	0	0	0	0	113.2	N542	N542-G544 PolarHBondContact O-N 2.87Å
545	Q	39.9	Very low	62.4	Low	174 Å²	174	76.4 Å²	76.4	81%	0.813	44%	0.439	S	S	*	.	S	Bend	trans	-120.3	107.2	144.7	-71	173.1	-2	0	0	103.1	V543 A547	V543-Q545 WeakPolarHBondContact CG1-O 3.35Å; V543-Q545 CarbonylContact O-C 3.22Å; V543-Q545 PolarHBondContact O-N 2.83Å; Q545-A547 VanDerWaalsContact C-N 3.26Å; Q545-A547 PolarHBondContact O-N 3.04Å
546	A	34.7	Very low	62.1	Low	81 Å²	81	76.9 Å²	76.9	67%	0.669	44%	0.442	S	S	*	.			trans	-47.6	106.7	161.8	0	0	0	0	0	104.7	V543 E548	V543-A546 PolarHBondContact O-N 3.4Å; A546-E548 PolarHBondContact O-N 3.37Å
547	A	40.2	Very low	61.7	Low	47 Å²	47	79.2 Å²	79.2	39%	0.388	46%	0.459	S	S	.	.			trans	-58.2	103.5	158.9	0	0	0	0	0	101.4	K482 Q545 L549	K482-A547 VanDerWaalsContact NZ-CB 3.25Å; Q545-A547 VanDerWaalsContact C-N 3.26Å; Q545-A547 PolarHBondContact O-N 3.04Å; A547-L549 VanDerWaalsContact C-N 3.29Å; A547-L549 PolarHBondContact O-N 3.27Å
548	E	41.6	Very low	61.4	Low	175 Å²	175	84.9 Å²	84.9	82%	0.818	49%	0.486	S	S	*	.			trans	-44.7	111	168	-76	-175.5	149.9	0	0	103.6	A546 D550	A546-E548 PolarHBondContact O-N 3.37Å; E548-D550 PolarHBondContact O-N 3Å
549	L	50.7	Low	61.1	Low	82 Å²	82	85.3 Å²	85.3	43%	0.429	49%	0.492	S	S	.	.			trans	-56.4	119	171.1	-84	122.3	0	0	0	103.8	F473 A547 S551	F473-L549 HydrophobicContact CB-CD1 4.4Å; F473-L549 HydrophobicContact CB-CD2 3.67Å; F473-L549 WeakPolarHBondContact O-CD2 3.29Å; A547-L549 VanDerWaalsContact C-N 3.29Å; A547-L549 PolarHBondContact O-N 3.27Å; L549-S551 VanDerWaalsContact CB-O 3.3Å; L549-S551 WeakPolarHBondContact CB-O 3.47Å; L549-S551 CarbonylContact O-C 3.57Å; L549-S551 PolarHBondContact O-N 2.69Å
550	D	47.8	Very low	60.7	Low	177 Å²	177	87.7 Å²	87.7	95%	0.947	51%	0.508	S	S	*	.	S	Bend	trans	-52	-19.9	-180	-76	-32.7	0	0	0	111.6	E548	E548-D550 PolarHBondContact O-N 3Å
551	S	57.1	Low	60.7	Low	86 Å²	86	90.6 Å²	90.6	60%	0.601	53%	0.528	S	S	*	.	S	Bend	trans	-126.8	129.8	169	54	0	0	0	0	112.1	L549	L549-S551 VanDerWaalsContact CB-O 3.3Å; L549-S551 WeakPolarHBondContact CB-O 3.47Å; L549-S551 CarbonylContact O-C 3.57Å; L549-S551 PolarHBondContact O-N 2.69Å
552	K	65.6	Low	61.2	Low	143 Å²	143	89.9 Å²	89.9	62%	0.622	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-57.1	141.3	167.1	-76.1	-173.2	174.2	-169.8	0	109.6	V554 E609	K552-V554 PolarHBondContact O-N 3.28Å; K552-E609 IonicContact NZ-OE1 3.52Å; K552-E609 PolarHBondContact NZ-OE1 3.38Å; K552-E609 IonicContact NZ-OE2 2.76Å
553	P	70.7	Confident	62.7	Low	42 Å²	42	83.3 Å²	83.3	27%	0.273	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-58.5	130.8	177.1	25	-33.9	0	0	0	110.4	F473	F473-P553 HydrophobicContact CD1-CB 3.94Å; F473-P553 HydrophobicContact CD2-CB 3.79Å; F473-P553 HydrophobicContact CD2-CG 4.39Å; F473-P553 HydrophobicContact CE1-CB 3.59Å; F473-P553 HydrophobicContact CE2-CB 3.41Å; F473-P553 VanDerWaalsContact CE2-CB 3.41Å; F473-P553 HydrophobicContact CE2-CG 4.13Å; F473-P553 HydrophobicContact CG-CB 4.05Å; F473-P553 HydrophobicContact CZ-CB 3.31Å; F473-P553 HydrophobicContact CZ-CG 4.44Å
554	V	74.4	Confident	64.6	Low	80 Å²	80	81 Å²	81	49%	0.485	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-91.4	126.7	177	-172.5	0	0	0	0	109.1	Q343 K552	Q343-V554 HydrophobicContact CG-CB 4.37Å; Q343-V554 HydrophobicContact CG-CG1 3.99Å; K552-V554 PolarHBondContact O-N 3.28Å
555	L	79.7	Confident	66.7	Low	44 Å²	44	79.3 Å²	79.3	23%	0.23	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-62.6	145.5	175.7	-71.5	172.4	0	0	0	110.9	W418 A559 T563	W418-L555 HydrophobicContact CH2-CD2 3.57Å; W418-L555 HydrophobicContact CZ2-CD2 3.68Å; L555-A559 HydrophobicContact CB-CB 4.15Å; L555-T563 HydrophobicContact CD2-CG2 4.16Å
556	P	80.2	Confident	69.1	Low	10 Å²	10	72.2 Å²	72.2	7%	0.065	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-57.3	149.7	171.9	-23.5	33.6	0	0	0	111.5	Q343 W418 N558 A559	Q343-P556 WeakPolarHBondContact O-CA 3.21Å; W418-P556 HydrophobicContact CG-CG 4.4Å; P556-N558 PolarHBondContact O-N 2.97Å; P556-A559 HydrophobicContact CB-CB 4.4Å; P556-A559 WeakPolarHBondContact O-CB 3.48Å; P556-A559 PolarHBondContact O-N 3.41Å
557	V	79.3	Confident	71.8	Confident	93 Å²	93	68.4 Å²	68.4	56%	0.564	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.6	-171.9	173.6	0	0	0	0	113.6	Q343 T344	Q343-V557 HydrophobicContact CB-CG2 4.08Å; Q343-V557 PolarHBondContact O-N 2.9Å; Q343-V557 VanDerWaalsContact O-N 3.07Å; T344-V557 HydrophobicContact CG2-CB 3.8Å; T344-V557 HydrophobicContact CG2-CG2 3.34Å
558	N	76	Confident	74.4	Confident	132 Å²	132	66.1 Å²	66.1	71%	0.706	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-1.3	-178.2	-61.2	-30.6	0	0	0	113.4	C421 P556	C421-N558 VanDerWaalsContact SG-CB 3.52Å; C421-N558 PolarHBondContact SG-O 3.49Å; C421-N558 VanDerWaalsContact SG-O 3.37Å; P556-N558 PolarHBondContact O-N 2.97Å
559	A	77.3	Confident	76.9	Confident	22 Å²	22	58 Å²	58	18%	0.182	33%	0.332	C	S	.	.	S	Bend	trans	-69.1	137.5	-179.5	0	0	0	0	0	110.3	L555 P556	L555-A559 HydrophobicContact CB-CB 4.15Å; P556-A559 HydrophobicContact CB-CB 4.4Å; P556-A559 WeakPolarHBondContact O-CB 3.48Å; P556-A559 PolarHBondContact O-N 3.41Å
560	S	77.6	Confident	78.9	Confident	50 Å²	50	54.3 Å²	54.3	35%	0.35	31%	0.312	S	S	.	.			trans	-60.2	145.9	170.4	178	0	0	0	0	109.5	N562 T563	S560-N562 PolarHBondContact O-N 2.85Å; S560-N562 PolarHBondContact OG-N 3.41Å; S560-T563 PolarHBondContact N-OG1 3.41Å; S560-T563 VanDerWaalsContact O-CB 3.27Å; S560-T563 WeakPolarHBondContact O-CB 3.48Å; S560-T563 PolarHBondContact O-N 3.08Å; S560-T563 PolarHBondContact O-OG1 3.36Å
561	P	76.1	Confident	81.1	Confident	110 Å²	110	45.9 Å²	45.9	71%	0.714	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.7	169	26.2	-36.5	0	0	0	112.8
562	N	75.9	Confident	82.9	Confident	74 Å²	74	41.8 Å²	41.8	40%	0.396	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7	175.3	-66.3	-28.4	0	0	0	114.6	S560 R653	S560-N562 PolarHBondContact O-N 2.85Å; S560-N562 PolarHBondContact OG-N 3.41Å; N562-R653 VanDerWaalsContact CA-NH2 3.31Å; N562-R653 PolarHBondContact O-NH2 3.4Å; N562-R653 PolarHBondContact OD1-NE 3.05Å; N562-R653 PolarHBondContact OD1-NH1 2.91Å
563	T	83.8	Confident	84.3	Confident	5 Å²	5	35 Å²	35	3%	0.031	21%	0.209	C	C	.	.	S	Bend	trans	-66	129.5	-178.6	-51.1	0	0	0	0	110	L555 S560 N565 K570	L555-T563 HydrophobicContact CD2-CG2 4.16Å; S560-T563 PolarHBondContact N-OG1 3.41Å; S560-T563 VanDerWaalsContact O-CB 3.27Å; S560-T563 WeakPolarHBondContact O-CB 3.48Å; S560-T563 PolarHBondContact O-N 3.08Å; S560-T563 PolarHBondContact O-OG1 3.36Å; T563-N565 PolarHBondContact O-N 2.91Å; T563-K570 HydrophobicContact CG2-CG 3.71Å
564	P	87.8	Confident	85.3	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.			trans	-57	132.6	175.1	-25.6	35.1	0	0	0	112	W418 N566 V569 K570 H613	W418-P564 VanDerWaalsContact CH2-O 3.3Å; W418-P564 WeakPolarHBondContact CH2-O 3.43Å; W418-P564 WeakPolarHBondContact CZ3-O 3.4Å; P564-N566 PolarHBondContact O-N 3.01Å; P564-V569 HydrophobicContact CB-CB 4.1Å; P564-V569 HydrophobicContact CB-CG1 3.86Å; P564-V569 HydrophobicContact CG-CG1 4.11Å; P564-K570 HydrophobicContact CB-CB 4.13Å; P564-K570 HydrophobicContact CG-CB 4.37Å; P564-H613 HydrophobicContact CB-CB 3.97Å; P564-H613 HydrophobicContact CG-CB 4.13Å
565	N	85.3	Confident	86.3	Confident	39 Å²	39	29.2 Å²	29.2	21%	0.209	17%	0.173	C	C	.	.	S	Bend	trans	-67.7	-23.9	178	-68.4	-12.4	0	0	0	113.1	W418 T563	W418-N565 VanDerWaalsContact CH2-O 3.29Å; W418-N565 WeakPolarHBondContact CH2-O 3.24Å; T563-N565 PolarHBondContact O-N 2.91Å
566	N	89.7	Confident	86.9	Confident	24 Å²	24	27.1 Å²	27.1	13%	0.128	16%	0.162	C	C	.	.	S	Bend	trans	-90.7	125	176.6	176.8	-70.9	0	0	0	109.6	D470 P564 V568 V569 K570	D470-N566 VanDerWaalsContact OD2-CA 3.31Å; D470-N566 WeakPolarHBondContact OD2-CA 3.44Å; P564-N566 PolarHBondContact O-N 3.01Å; N566-V568 VanDerWaalsContact C-N 3.33Å; N566-V568 PolarHBondContact O-N 3.42Å; N566-V568 WeakPolarHBondContact OD1-CA 3.22Å; N566-V568 VanDerWaalsContact OD1-CB 3.28Å; N566-V568 WeakPolarHBondContact OD1-CB 3.29Å; N566-V568 PolarHBondContact OD1-N 3.27Å; N566-V569 HydrophobicContact CB-CB 4.2Å; N566-V569 HydrophobicContact CB-CG2 3.99Å; N566-V569 PolarHBondContact O-N 2.97Å; N566-V569 PolarHBondContact OD1-N 2.89Å; N566-K570 WeakPolarHBondContact O-CB 3.25Å; N566-K570 PolarHBondContact O-N 3.24Å
567	S	91.9	Very high	87.4	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-35.2	-173.5	74.7	0	0	0	0	113.3	L414 D470 K570 F571	L414-S567 WeakPolarHBondContact CD1-O 3.43Å; L414-S567 VanDerWaalsContact CD2-OG 3.28Å; L414-S567 WeakPolarHBondContact CD2-OG 3.48Å; L414-S567 WeakPolarHBondContact CG-OG 3.36Å; D470-S567 WeakPolarHBondContact OD1-CB 3.25Å; D470-S567 PolarHBondContact OD1-OG 2.98Å; D470-S567 PolarHBondContact OD2-N 2.86Å; D470-S567 PolarHBondContact OD2-OG 3.38Å; S567-K570 PolarHBondContact O-N 3.37Å; S567-F571 WeakPolarHBondContact O-CB 3.48Å; S567-F571 PolarHBondContact O-N 3Å
568	V	94	Very high	87.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.6	-47.2	176	-178	0	0	0	0	110.2	L414 I461 T464 F465 N566 K570 F571 L572	L414-V568 HydrophobicContact CD2-CG2 3.74Å; I461-V568 HydrophobicContact CG2-CG1 4.1Å; T464-V568 HydrophobicContact CG2-CG2 3.78Å; F465-V568 HydrophobicContact CB-CG1 3.85Å; N566-V568 VanDerWaalsContact C-N 3.33Å; N566-V568 PolarHBondContact O-N 3.42Å; N566-V568 WeakPolarHBondContact OD1-CA 3.22Å; N566-V568 VanDerWaalsContact OD1-CB 3.28Å; N566-V568 WeakPolarHBondContact OD1-CB 3.29Å; N566-V568 PolarHBondContact OD1-N 3.27Å; V568-K570 VanDerWaalsContact C-N 3.33Å; V568-K570 PolarHBondContact O-N 3.4Å; V568-F571 PolarHBondContact O-N 2.96Å; V568-L572 HydrophobicContact CG1-CD1 4.45Å; V568-L572 WeakPolarHBondContact O-CG 3.34Å; V568-L572 PolarHBondContact O-N 2.91Å
569	V	93.6	Very high	88.6	Confident	5 Å²	5	23.9 Å²	23.9	3%	0.03	14%	0.144	C	C	.	.	H	α-helix	trans	-63.2	-42.3	176.5	-179.5	0	0	0	0	110.6	F465 P564 N566 F571 L572 C573 H613	F465-V569 HydrophobicContact CD2-CG2 4.19Å; F465-V569 HydrophobicContact CE2-CG2 3.96Å; P564-V569 HydrophobicContact CB-CB 4.1Å; P564-V569 HydrophobicContact CB-CG1 3.86Å; P564-V569 HydrophobicContact CG-CG1 4.11Å; N566-V569 HydrophobicContact CB-CB 4.2Å; N566-V569 HydrophobicContact CB-CG2 3.99Å; N566-V569 PolarHBondContact O-N 2.97Å; N566-V569 PolarHBondContact OD1-N 2.89Å; V569-F571 PolarHBondContact O-N 3.01Å; V569-L572 PolarHBondContact O-N 2.87Å; V569-C573 PolarHBondContact O-N 2.94Å; V569-C573 PolarHBondContact O-SG 3.4Å; V569-C573 VanDerWaalsContact O-SG 3.35Å; V569-H613 HydrophobicContact CG1-CB 4.11Å
570	K	92.9	Very high	89.3	Confident	3 Å²	3	26.3 Å²	26.3	1%	0.013	15%	0.154	C	C	.	.	H	α-helix	trans	-57.1	-49.9	174.9	-171.7	-83	-179.9	-173.2	0	110.8	N417 W418 F420 S422 T563 P564 N566 S567 V568 L572 C573 D574	N417-K570 PolarHBondContact ND2-NZ 3.41Å; N417-K570 PolarHBondContact O-NZ 2.87Å; W418-K570 HydrophobicContact CE3-CB 4.33Å; W418-K570 HydrophobicContact CE3-CG 4.24Å; W418-K570 HydrophobicContact CZ3-CB 4.01Å; W418-K570 HydrophobicContact CZ3-CG 4.12Å; F420-K570 PolarHBondContact O-NZ 2.88Å; S422-K570 PolarHBondContact OG-NZ 3.36Å; T563-K570 HydrophobicContact CG2-CG 3.71Å; P564-K570 HydrophobicContact CB-CB 4.13Å; P564-K570 HydrophobicContact CG-CB 4.37Å; N566-K570 WeakPolarHBondContact O-CB 3.25Å; N566-K570 PolarHBondContact O-N 3.24Å; S567-K570 PolarHBondContact O-N 3.37Å; V568-K570 VanDerWaalsContact C-N 3.33Å; V568-K570 PolarHBondContact O-N 3.4Å; K570-L572 PolarHBondContact O-N 2.96Å; K570-C573 WeakPolarHBondContact O-CB 3.31Å; K570-C573 PolarHBondContact O-N 2.87Å; K570-D574 WeakPolarHBondContact CD-OD2 3.21Å; K570-D574 WeakPolarHBondContact CE-OD2 3.32Å; K570-D574 IonicContact NZ-OD1 3.44Å; K570-D574 IonicContact NZ-OD2 3.82Å; K570-D574 PolarHBondContact NZ-OD2 3.48Å; K570-D574 VanDerWaalsContact O-CG 3.27Å; K570-D574 PolarHBondContact O-N 2.75Å
571	F	95	Very high	90	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-42.3	177.6	172.5	-96.3	0	0	0	112.6	L414 N417 L443 L447 F457 L458 I461 S567 V568 V569 C573 D574 L575	L414-F571 HydrophobicContact CD1-CB 3.62Å; L414-F571 HydrophobicContact CD1-CG 4.18Å; N417-F571 HydrophobicContact CB-CD2 4.39Å; L443-F571 HydrophobicContact CD2-CD2 3.81Å; L443-F571 HydrophobicContact CD2-CE2 3.5Å; L443-F571 HydrophobicContact CG-CE2 4.1Å; L447-F571 HydrophobicContact CD1-CE2 3.99Å; L447-F571 HydrophobicContact CD1-CZ 3.7Å; F457-F571 AromaticContact CE1-CE1 3.95Å; F457-F571 HydrophobicContact CE1-CE1 3.95Å; F457-F571 HydrophobicContact CE1-CE2 4.02Å; F457-F571 AromaticContact CE1-CZ 3.5Å; F457-F571 HydrophobicContact CE1-CZ 3.5Å; F457-F571 VanDerWaalsContact CE1-CZ 3.5Å; F457-F571 HydrophobicContact CZ-CE1 4.32Å; F457-F571 HydrophobicContact CZ-CE2 4.23Å; F457-F571 HydrophobicContact CZ-CZ 4.03Å; L458-F571 HydrophobicContact CD2-CE1 4.27Å; L458-F571 HydrophobicContact CD2-CZ 4.29Å; I461-F571 HydrophobicContact CD1-CD1 4.46Å; I461-F571 HydrophobicContact CG1-CD1 4.22Å; I461-F571 HydrophobicContact CG1-CE1 4.16Å; I461-F571 HydrophobicContact CG2-CD1 3.73Å; I461-F571 HydrophobicContact CG2-CE1 3.96Å; S567-F571 WeakPolarHBondContact O-CB 3.48Å; S567-F571 PolarHBondContact O-N 3Å; V568-F571 PolarHBondContact O-N 2.96Å; V569-F571 PolarHBondContact O-N 3.01Å; F571-C573 VanDerWaalsContact C-N 3.32Å; F571-C573 PolarHBondContact O-N 3.25Å; F571-D574 WeakPolarHBondContact O-CB 3.47Å; F571-D574 PolarHBondContact O-N 3.49Å; F571-D574 VanDerWaalsContact O-N 3.15Å; F571-L575 HydrophobicContact CE1-CB 4.44Å; F571-L575 HydrophobicContact CE1-CD2 4.32Å; F571-L575 HydrophobicContact CZ-CB 4.48Å; F571-L575 HydrophobicContact CZ-CD1 4.21Å; F571-L575 WeakPolarHBondContact O-CB 3.45Å; F571-L575 PolarHBondContact O-N 3.13Å
572	L	95.4	Very high	90.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-39.9	175.6	-71.4	175.6	0	0	0	111.7	I461 F465 V568 V569 K570 D574 L575 F576 L617	I461-L572 HydrophobicContact CG2-CD2 3.87Å; I461-L572 HydrophobicContact CG2-CG 4.2Å; F465-L572 HydrophobicContact CB-CD1 3.94Å; F465-L572 HydrophobicContact CD1-CD1 3.97Å; F465-L572 HydrophobicContact CD2-CD1 3.72Å; F465-L572 HydrophobicContact CE1-CD1 4.43Å; F465-L572 HydrophobicContact CE2-CD1 4.22Å; F465-L572 HydrophobicContact CG-CD1 3.59Å; V568-L572 HydrophobicContact CG1-CD1 4.45Å; V568-L572 WeakPolarHBondContact O-CG 3.34Å; V568-L572 PolarHBondContact O-N 2.91Å; V569-L572 PolarHBondContact O-N 2.87Å; K570-L572 PolarHBondContact O-N 2.96Å; L572-D574 VanDerWaalsContact C-N 3.32Å; L572-D574 PolarHBondContact O-N 3.34Å; L572-L575 HydrophobicContact CD2-CD2 4.38Å; L572-L575 PolarHBondContact O-N 3.3Å; L572-F576 HydrophobicContact CD2-CE2 4.29Å; L572-F576 VanDerWaalsContact O-CD2 3.22Å; L572-F576 WeakPolarHBondContact O-CD2 3.44Å; L572-F576 PolarHBondContact O-N 2.92Å; L572-L617 HydrophobicContact CB-CD1 3.78Å; L572-L617 HydrophobicContact CB-CD2 4.1Å; L572-L617 HydrophobicContact CD1-CD2 4.18Å
573	C	93.8	Very high	91.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.4	-43.6	172.2	-71.2	0	0	0	0	111.4	Y424 V569 K570 F571 L575 F576 S577 L620	Y424-C573 HydrophobicContact CD1-CB 4.15Å; Y424-C573 HydrophobicContact CE1-CB 3.5Å; V569-C573 PolarHBondContact O-N 2.94Å; V569-C573 PolarHBondContact O-SG 3.4Å; V569-C573 VanDerWaalsContact O-SG 3.35Å; K570-C573 WeakPolarHBondContact O-CB 3.31Å; K570-C573 PolarHBondContact O-N 2.87Å; F571-C573 VanDerWaalsContact C-N 3.32Å; F571-C573 PolarHBondContact O-N 3.25Å; C573-L575 PolarHBondContact O-N 2.95Å; C573-F576 PolarHBondContact O-N 2.91Å; C573-S577 WeakPolarHBondContact O-CB 3.31Å; C573-S577 PolarHBondContact O-N 3.39Å; C573-S577 PolarHBondContact O-OG 2.71Å; C573-L620 HydrophobicContact CB-CD1 3.74Å; C573-L620 WeakPolarHBondContact O-CD1 3.44Å
574	D	92.8	Very high	92	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-61.1	-45.6	175.8	-60.5	-20.5	0	0	0	111.7	N417 S422 Y424 L444 K570 F571 L572 F576 S577	N417-D574 PolarHBondContact ND2-OD2 3.43Å; N417-D574 PolarHBondContact OD1-OD2 2.92Å; S422-D574 WeakPolarHBondContact CB-OD1 3.26Å; S422-D574 PolarHBondContact OG-OD1 3.43Å; S422-D574 PolarHBondContact OG-OD2 3.12Å; Y424-D574 WeakPolarHBondContact CE1-OD1 3.38Å; Y424-D574 PolarHBondContact OH-OD1 2.88Å; L444-D574 HydrophobicContact CD1-CB 4.26Å; K570-D574 WeakPolarHBondContact CD-OD2 3.21Å; K570-D574 WeakPolarHBondContact CE-OD2 3.32Å; K570-D574 IonicContact NZ-OD1 3.44Å; K570-D574 IonicContact NZ-OD2 3.82Å; K570-D574 PolarHBondContact NZ-OD2 3.48Å; K570-D574 VanDerWaalsContact O-CG 3.27Å; K570-D574 PolarHBondContact O-N 2.75Å; F571-D574 WeakPolarHBondContact O-CB 3.47Å; F571-D574 PolarHBondContact O-N 3.49Å; F571-D574 VanDerWaalsContact O-N 3.15Å; L572-D574 VanDerWaalsContact C-N 3.32Å; L572-D574 PolarHBondContact O-N 3.34Å; D574-F576 PolarHBondContact O-N 2.96Å; D574-S577 WeakPolarHBondContact O-CB 3.29Å; D574-S577 PolarHBondContact O-N 2.8Å
575	L	94.3	Very high	92.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-42.9	-179.6	-172.2	75	0	0	0	111.8	L444 L447 L458 F571 L572 C573 S577 T581 G582 L584 I585	L444-L575 HydrophobicContact CD2-CB 4.48Å; L444-L575 HydrophobicContact CD2-CD1 4.06Å; L447-L575 HydrophobicContact CD1-CD1 4.29Å; L458-L575 HydrophobicContact CD2-CD1 4.31Å; L458-L575 HydrophobicContact CD2-CD2 4.04Å; F571-L575 HydrophobicContact CE1-CB 4.44Å; F571-L575 HydrophobicContact CE1-CD2 4.32Å; F571-L575 HydrophobicContact CZ-CB 4.48Å; F571-L575 HydrophobicContact CZ-CD1 4.21Å; F571-L575 WeakPolarHBondContact O-CB 3.45Å; F571-L575 PolarHBondContact O-N 3.13Å; L572-L575 HydrophobicContact CD2-CD2 4.38Å; L572-L575 PolarHBondContact O-N 3.3Å; C573-L575 PolarHBondContact O-N 2.95Å; L575-S577 VanDerWaalsContact C-N 3.32Å; L575-T581 CarbonylContact O-C 3.51Å; L575-T581 VanDerWaalsContact O-CB 3.31Å; L575-T581 WeakPolarHBondContact O-CB 3.49Å; L575-T581 PolarHBondContact O-OG1 2.85Å; L575-G582 PolarHBondContact O-N 3.38Å; L575-G582 VanDerWaalsContact O-N 3.13Å; L575-L584 HydrophobicContact CD1-CD1 4.48Å; L575-I585 HydrophobicContact CD2-CD1 3.69Å; L575-I585 HydrophobicContact CD2-CG1 3.63Å
576	F	93.1	Very high	92.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	5.2	178.1	-68.9	-68.3	0	0	0	113.8	L572 C573 D574 Y578 I585 L590 I593 L617 L620 I621 N624 T625	L572-F576 HydrophobicContact CD2-CE2 4.29Å; L572-F576 VanDerWaalsContact O-CD2 3.22Å; L572-F576 WeakPolarHBondContact O-CD2 3.44Å; L572-F576 PolarHBondContact O-N 2.92Å; C573-F576 PolarHBondContact O-N 2.91Å; D574-F576 PolarHBondContact O-N 2.96Å; F576-Y578 VanDerWaalsContact C-N 3.28Å; F576-Y578 PolarHBondContact O-N 2.88Å; F576-I585 HydrophobicContact CE1-CB 4.5Å; F576-I585 HydrophobicContact CE1-CG1 4.29Å; F576-I585 HydrophobicContact CZ-CB 4.28Å; F576-I585 HydrophobicContact CZ-CG1 3.87Å; F576-I585 HydrophobicContact CZ-CG2 4.39Å; F576-L590 HydrophobicContact CE1-CD1 3.81Å; F576-L590 HydrophobicContact CZ-CD1 3.8Å; F576-I593 HydrophobicContact CE2-CD1 4Å; F576-I593 HydrophobicContact CZ-CD1 3.92Å; F576-L617 HydrophobicContact CD2-CD1 3.72Å; F576-L617 HydrophobicContact CE2-CD1 4.42Å; F576-L620 HydrophobicContact CB-CB 4.08Å; F576-I621 HydrophobicContact CB-CG1 4.08Å; F576-I621 HydrophobicContact CD1-CG1 3.8Å; F576-I621 HydrophobicContact CD2-CD1 4.07Å; F576-I621 HydrophobicContact CD2-CG1 3.65Å; F576-I621 HydrophobicContact CE1-CG1 4.1Å; F576-I621 HydrophobicContact CE2-CD1 4.04Å; F576-I621 HydrophobicContact CE2-CG1 3.96Å; F576-I621 HydrophobicContact CG-CD1 4.47Å; F576-I621 HydrophobicContact CG-CG1 3.56Å; F576-I621 HydrophobicContact CZ-CD1 4.42Å; F576-I621 HydrophobicContact CZ-CG1 4.16Å; F576-N624 WeakPolarHBondContact O-CB 3.29Å; F576-N624 PolarHBondContact O-ND2 2.84Å; F576-T625 HydrophobicContact CD1-CG2 3.61Å; F576-T625 HydrophobicContact CE1-CG2 3.78Å
577	S	90.3	Very high	92.3	Very high	22 Å²	22	26.4 Å²	26.4	15%	0.154	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-19.4	174	-69	0	0	0	0	113.2	C573 D574 L575 N624	C573-S577 WeakPolarHBondContact O-CB 3.31Å; C573-S577 PolarHBondContact O-N 3.39Å; C573-S577 PolarHBondContact O-OG 2.71Å; D574-S577 WeakPolarHBondContact O-CB 3.29Å; D574-S577 PolarHBondContact O-N 2.8Å; L575-S577 VanDerWaalsContact C-N 3.32Å; S577-N624 PolarHBondContact O-ND2 3.17Å
578	Y	90.2	Very high	92.1	Very high	70 Å²	70	32.2 Å²	32.2	28%	0.275	18%	0.176	S	C	.	.	S	Bend	trans	-129.3	145.4	176.8	-49.3	-89	0	0	0	110.7	N439 K440 L444 F576 D580 T581 G582	N439-Y578 PolarHBondContact O-OH 3.44Å; K440-Y578 HydrophobicContact CG-CD1 4.4Å; K440-Y578 HydrophobicContact CG-CD2 3.83Å; K440-Y578 HydrophobicContact CG-CE1 4.27Å; K440-Y578 HydrophobicContact CG-CE2 3.68Å; K440-Y578 HydrophobicContact CG-CG 4.2Å; L444-Y578 HydrophobicContact CD1-CD2 4.04Å; L444-Y578 HydrophobicContact CD1-CE2 3.98Å; F576-Y578 VanDerWaalsContact C-N 3.28Å; F576-Y578 PolarHBondContact O-N 2.88Å; Y578-D580 WeakPolarHBondContact CB-OD1 3.33Å; Y578-T581 WeakPolarHBondContact CB-OG1 3.47Å; Y578-T581 PolarHBondContact O-OG1 2.88Å; Y578-T581 VanDerWaalsContact O-OG1 3.1Å; Y578-G582 PolarHBondContact O-N 2.92Å
579	S	90.3	Very high	91.9	Very high	75 Å²	75	34.9 Å²	34.9	52%	0.524	19%	0.191	S	C	.	.	H	α-helix	trans	-68.7	-34.4	-177	-167.3	0	0	0	0	113	A583 N624	S579-A583 WeakPolarHBondContact O-CB 3.33Å; S579-A583 PolarHBondContact O-N 3.22Å; S579-N624 WeakPolarHBondContact CA-O 3.15Å; S579-N624 WeakPolarHBondContact CB-O 3.17Å; S579-N624 PolarHBondContact OG-O 3.05Å
580	D	92.2	Very high	91.8	Very high	72 Å²	72	35.2 Å²	35.2	39%	0.385	19%	0.192	S	C	.	.	H	α-helix	trans	-68.3	-43.2	177.9	53.5	-1	0	0	0	112.4	K440 L448 Y578 A583	K440-D580 VanDerWaalsContact CE-CG 3.43Å; K440-D580 WeakPolarHBondContact CE-OD1 3.28Å; K440-D580 WeakPolarHBondContact CE-OD2 3.5Å; K440-D580 IonicContact NZ-OD1 3.58Å; K440-D580 PolarHBondContact NZ-OD1 2.87Å; K440-D580 IonicContact NZ-OD2 3.39Å; K440-D580 PolarHBondContact NZ-OD2 2.87Å; L448-D580 HydrophobicContact CD2-CB 4.21Å; Y578-D580 WeakPolarHBondContact CB-OD1 3.33Å; D580-A583 PolarHBondContact O-N 2.66Å
581	T	92.6	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.6	-37.9	175.5	51.8	0	0	0	0	111.9	K440 L444 L448 L575 Y578 A583 L584	K440-T581 HydrophobicContact CD-CG2 4.2Å; L444-T581 HydrophobicContact CB-CG2 3.99Å; L444-T581 HydrophobicContact CD1-CG2 4.36Å; L444-T581 HydrophobicContact CD2-CG2 4.08Å; L444-T581 HydrophobicContact CG-CG2 4.36Å; L448-T581 HydrophobicContact CD1-CG2 3.69Å; L448-T581 HydrophobicContact CD2-CG2 4.13Å; L448-T581 HydrophobicContact CG-CG2 3.84Å; L575-T581 CarbonylContact O-C 3.51Å; L575-T581 VanDerWaalsContact O-CB 3.31Å; L575-T581 WeakPolarHBondContact O-CB 3.49Å; L575-T581 PolarHBondContact O-OG1 2.85Å; Y578-T581 WeakPolarHBondContact CB-OG1 3.47Å; Y578-T581 PolarHBondContact O-OG1 2.88Å; Y578-T581 VanDerWaalsContact O-OG1 3.1Å; T581-A583 VanDerWaalsContact C-N 3.25Å; T581-A583 PolarHBondContact O-N 2.99Å; T581-L584 VanDerWaalsContact O-CB 3.3Å; T581-L584 WeakPolarHBondContact O-CB 3.41Å; T581-L584 WeakPolarHBondContact O-CG 3.38Å; T581-L584 PolarHBondContact O-N 2.63Å
582	G	91.5	Very high	91.4	Very high	4 Å²	4	39 Å²	39	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-30.9	174.3	0	0	0	0	0	112.9	L575 Y578 L584 I585	L575-G582 PolarHBondContact O-N 3.38Å; L575-G582 VanDerWaalsContact O-N 3.13Å; Y578-G582 PolarHBondContact O-N 2.92Å; G582-L584 PolarHBondContact O-N 2.87Å; G582-I585 PolarHBondContact O-N 2.92Å
583	A	92.7	Very high	91.3	Very high	78 Å²	78	39 Å²	39	65%	0.645	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-9	176.4	0	0	0	0	0	114.4	S579 D580 T581 I585	S579-A583 WeakPolarHBondContact O-CB 3.33Å; S579-A583 PolarHBondContact O-N 3.22Å; D580-A583 PolarHBondContact O-N 2.66Å; T581-A583 VanDerWaalsContact C-N 3.25Å; T581-A583 PolarHBondContact O-N 2.99Å; A583-I585 PolarHBondContact O-N 3.28Å
584	L	93.3	Very high	91.2	Very high	28 Å²	28	39.1 Å²	39.1	15%	0.147	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.3	171.5	-63	175.6	0	0	0	112.5	L447 L448 P451 L458 L575 T581 G582	L447-L584 HydrophobicContact CB-CD1 3.74Å; L448-L584 HydrophobicContact CD2-CD1 4.22Å; L448-L584 HydrophobicContact CD2-CD2 4.41Å; L448-L584 HydrophobicContact CD2-CG 4.33Å; P451-L584 HydrophobicContact CB-CD2 3.67Å; L458-L584 HydrophobicContact CD1-CB 3.86Å; L575-L584 HydrophobicContact CD1-CD1 4.48Å; T581-L584 VanDerWaalsContact O-CB 3.3Å; T581-L584 WeakPolarHBondContact O-CB 3.41Å; T581-L584 WeakPolarHBondContact O-CG 3.38Å; T581-L584 PolarHBondContact O-N 2.63Å; G582-L584 PolarHBondContact O-N 2.87Å
585	I	92.6	Very high	91.1	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.082	24%	0.236	C	C	.	.	S	Bend	trans	-84.2	123.8	176.8	-59.1	-56.5	0	0	0	109.4	L458 I462 L575 F576 G582 A583 D589 L590 I593	L458-I585 HydrophobicContact CB-CD1 4.22Å; L458-I585 HydrophobicContact CD1-CD1 4.22Å; L458-I585 HydrophobicContact CD2-CD1 4.1Å; L458-I585 HydrophobicContact CG-CD1 4.4Å; I462-I585 HydrophobicContact CD1-CD1 4.15Å; L575-I585 HydrophobicContact CD2-CD1 3.69Å; L575-I585 HydrophobicContact CD2-CG1 3.63Å; F576-I585 HydrophobicContact CE1-CB 4.5Å; F576-I585 HydrophobicContact CE1-CG1 4.29Å; F576-I585 HydrophobicContact CZ-CB 4.28Å; F576-I585 HydrophobicContact CZ-CG1 3.87Å; F576-I585 HydrophobicContact CZ-CG2 4.39Å; G582-I585 PolarHBondContact O-N 2.92Å; A583-I585 PolarHBondContact O-N 3.28Å; I585-D589 HydrophobicContact CG2-CB 3.74Å; I585-L590 HydrophobicContact CG2-CB 4.06Å; I585-I593 HydrophobicContact CG2-CD1 4.05Å
586	Y	89.1	Confident	91	Very high	122 Å²	122	43.8 Å²	43.8	48%	0.478	24%	0.237	S	C	.	.			trans	-67.9	157.5	175.8	-69.5	-66.4	0	0	0	111.5	R455 N588 D589 L590	R455-Y586 HydrophobicContact CG-CE2 4.43Å; R455-Y586 VanDerWaalsContact CZ-OH 3.28Å; R455-Y586 PolarHBondContact NE-OH 2.92Å; R455-Y586 PolarHBondContact NH2-OH 3.37Å; Y586-N588 VanDerWaalsContact C-N 3.32Å; Y586-N588 PolarHBondContact O-N 3.28Å; Y586-D589 WeakPolarHBondContact O-CB 3.38Å; Y586-D589 PolarHBondContact O-N 3.45Å; Y586-D589 VanDerWaalsContact O-N 3.12Å; Y586-L590 PolarHBondContact O-N 3.47Å
587	Q	86.7	Confident	91	Very high	56 Å²	56	43.8 Å²	43.8	26%	0.262	24%	0.237	S	C	.	.	H	α-helix	trans	-56.4	-44.7	-175.8	-174.2	63.7	46.4	0	0	113	D589 L590 D591 K630	Q587-D589 VanDerWaalsContact C-N 3.29Å; Q587-D589 PolarHBondContact O-N 3.21Å; Q587-L590 WeakPolarHBondContact O-CB 2.89Å; Q587-L590 PolarHBondContact O-N 2.85Å; Q587-D591 PolarHBondContact NE2-OD1 3.33Å; Q587-D591 VanDerWaalsContact NE2-OD1 3.14Å; Q587-D591 PolarHBondContact O-N 3.49Å; Q587-K630 HydrophobicContact CG-CD 4.14Å; Q587-K630 VanDerWaalsContact OE1-CD 3.25Å
588	N	88.1	Confident	91	Very high	123 Å²	123	42.9 Å²	42.9	66%	0.658	23%	0.23	S	C	*	.	H	α-helix	trans	-63	-40.1	-179.1	-64.6	-7.9	0	0	0	111.1	Y586 D591 V592	Y586-N588 VanDerWaalsContact C-N 3.32Å; Y586-N588 PolarHBondContact O-N 3.28Å; N588-D591 WeakPolarHBondContact O-CB 3.43Å; N588-D591 PolarHBondContact O-N 2.89Å; N588-V592 WeakPolarHBondContact O-CG2 3.23Å; N588-V592 PolarHBondContact O-N 3.35Å
589	D	90.6	Very high	91	Very high	56 Å²	56	43.3 Å²	43.3	30%	0.299	23%	0.232	S	C	.	.	H	α-helix	trans	-68.4	-38.9	177.4	-63.7	-41	0	0	0	111.6	I462 I585 Y586 Q587 D591 V592 I593	I462-D589 HydrophobicContact CD1-CB 3.74Å; I585-D589 HydrophobicContact CG2-CB 3.74Å; Y586-D589 WeakPolarHBondContact O-CB 3.38Å; Y586-D589 PolarHBondContact O-N 3.45Å; Y586-D589 VanDerWaalsContact O-N 3.12Å; Q587-D589 VanDerWaalsContact C-N 3.29Å; Q587-D589 PolarHBondContact O-N 3.21Å; D589-D591 VanDerWaalsContact C-N 3.32Å; D589-D591 PolarHBondContact O-N 3.02Å; D589-V592 WeakPolarHBondContact O-CB 3.32Å; D589-V592 PolarHBondContact O-N 2.67Å; D589-I593 VanDerWaalsContact O-CG1 3.32Å; D589-I593 WeakPolarHBondContact O-CG1 3.41Å; D589-I593 PolarHBondContact O-N 3.42Å
590	L	91.5	Very high	91	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-44	173.5	-178.5	62.6	0	0	0	111.1	F576 I585 Y586 Q587 V592 I593 I594 I621	F576-L590 HydrophobicContact CE1-CD1 3.81Å; F576-L590 HydrophobicContact CZ-CD1 3.8Å; I585-L590 HydrophobicContact CG2-CB 4.06Å; Y586-L590 PolarHBondContact O-N 3.47Å; Q587-L590 WeakPolarHBondContact O-CB 2.89Å; Q587-L590 PolarHBondContact O-N 2.85Å; L590-V592 VanDerWaalsContact C-N 3.3Å; L590-V592 PolarHBondContact O-N 3.42Å; L590-I593 PolarHBondContact O-N 3.47Å; L590-I594 HydrophobicContact CD1-CD1 4.45Å; L590-I594 HydrophobicContact CG-CD1 4.16Å; L590-I594 WeakPolarHBondContact O-CG1 3.42Å; L590-I594 PolarHBondContact O-N 3.46Å; L590-I621 HydrophobicContact CD1-CG2 3.96Å
591	D	88.7	Confident	90.8	Very high	30 Å²	30	37.7 Å²	37.7	16%	0.16	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-37.2	176.1	-70.9	-9.3	0	0	0	111.2	Q587 N588 D589 E595 K634	Q587-D591 PolarHBondContact NE2-OD1 3.33Å; Q587-D591 VanDerWaalsContact NE2-OD1 3.14Å; Q587-D591 PolarHBondContact O-N 3.49Å; N588-D591 WeakPolarHBondContact O-CB 3.43Å; N588-D591 PolarHBondContact O-N 2.89Å; D589-D591 VanDerWaalsContact C-N 3.32Å; D589-D591 PolarHBondContact O-N 3.02Å; D591-E595 WeakPolarHBondContact O-CB 3.33Å; D591-E595 PolarHBondContact O-N 2.8Å; D591-K634 HydrophobicContact CB-CD 3.89Å; D591-K634 WeakPolarHBondContact O-CD 3.4Å; D591-K634 PolarHBondContact O-NZ 3.46Å
592	V	90.8	Very high	90.5	Very high	52 Å²	52	44.4 Å²	44.4	32%	0.315	22%	0.219	S	C	.	.	H	α-helix	trans	-65.1	-44.2	173.1	171.3	0	0	0	0	111	I462 N588 D589 L590 I594 E595 V596	I462-V592 HydrophobicContact CG2-CG1 4.31Å; N588-V592 WeakPolarHBondContact O-CG2 3.23Å; N588-V592 PolarHBondContact O-N 3.35Å; D589-V592 WeakPolarHBondContact O-CB 3.32Å; D589-V592 PolarHBondContact O-N 2.67Å; L590-V592 VanDerWaalsContact C-N 3.3Å; L590-V592 PolarHBondContact O-N 3.42Å; V592-I594 PolarHBondContact O-N 2.98Å; V592-E595 WeakPolarHBondContact O-CB 3.39Å; V592-E595 PolarHBondContact O-N 3.21Å; V592-V596 HydrophobicContact CG1-CG2 4.43Å; V592-V596 WeakPolarHBondContact O-CG2 3.3Å; V592-V596 PolarHBondContact O-N 2.98Å
593	I	92.7	Very high	90.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-47.3	177.2	-67.3	166.7	0	0	0	110.6	I462 F465 F576 I585 D589 L590 E595 V596 I597 I621	I462-I593 HydrophobicContact CG1-CD1 4.11Å; I462-I593 HydrophobicContact CG1-CG1 4.33Å; I462-I593 HydrophobicContact CG2-CG1 4.39Å; F465-I593 HydrophobicContact CD1-CG2 4.48Å; F465-I593 HydrophobicContact CE1-CG2 4.04Å; F576-I593 HydrophobicContact CE2-CD1 4Å; F576-I593 HydrophobicContact CZ-CD1 3.92Å; I585-I593 HydrophobicContact CG2-CD1 4.05Å; D589-I593 VanDerWaalsContact O-CG1 3.32Å; D589-I593 WeakPolarHBondContact O-CG1 3.41Å; D589-I593 PolarHBondContact O-N 3.42Å; L590-I593 PolarHBondContact O-N 3.47Å; I593-E595 VanDerWaalsContact C-N 3.32Å; I593-E595 PolarHBondContact O-N 2.83Å; I593-V596 PolarHBondContact O-N 2.74Å; I593-I597 HydrophobicContact CG2-CD1 3.88Å; I593-I597 HydrophobicContact CG2-CG1 4.45Å; I593-I597 VanDerWaalsContact O-CG1 3.29Å; I593-I597 WeakPolarHBondContact O-CG1 3.43Å; I593-I597 PolarHBondContact O-N 3.33Å; I593-I621 HydrophobicContact CG2-CD1 3.94Å
594	I	91.6	Very high	89.7	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-41.3	178.3	-67	168.9	0	0	0	110.8	L590 V592 I597 N598 I621 K634	L590-I594 HydrophobicContact CD1-CD1 4.45Å; L590-I594 HydrophobicContact CG-CD1 4.16Å; L590-I594 WeakPolarHBondContact O-CG1 3.42Å; L590-I594 PolarHBondContact O-N 3.46Å; V592-I594 PolarHBondContact O-N 2.98Å; I594-I597 PolarHBondContact O-N 3.35Å; I594-N598 WeakPolarHBondContact O-CB 3.1Å; I594-N598 VanDerWaalsContact O-CG 3.31Å; I594-N598 PolarHBondContact O-N 2.93Å; I594-I621 HydrophobicContact CD1-CG2 4.33Å; I594-I621 HydrophobicContact CG1-CG2 4.42Å; I594-K634 HydrophobicContact CG2-CB 4.16Å
595	E	91	Very high	89.2	Confident	94 Å²	94	54 Å²	54	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-43.2	176.2	-172.5	179.6	162.4	0	0	112.4	D591 V592 I593 N598 R599 K634	D591-E595 WeakPolarHBondContact O-CB 3.33Å; D591-E595 PolarHBondContact O-N 2.8Å; V592-E595 WeakPolarHBondContact O-CB 3.39Å; V592-E595 PolarHBondContact O-N 3.21Å; I593-E595 VanDerWaalsContact C-N 3.32Å; I593-E595 PolarHBondContact O-N 2.83Å; E595-N598 PolarHBondContact O-N 2.73Å; E595-R599 WeakPolarHBondContact O-CB 3.36Å; E595-R599 PolarHBondContact O-N 2.87Å; E595-K634 HydrophobicContact CB-CD 4.12Å; E595-K634 VanDerWaalsContact OE2-CE 3.3Å; E595-K634 WeakPolarHBondContact OE2-CE 3.28Å; E595-K634 IonicContact OE2-NZ 3.57Å; E595-K634 PolarHBondContact OE2-NZ 3.08Å
596	V	91.7	Very high	88.2	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-42.5	175.7	174.4	0	0	0	0	110.7	F465 N466 V592 I593 R599 R600	F465-V596 HydrophobicContact CD1-CB 4.07Å; F465-V596 HydrophobicContact CD1-CG1 3.68Å; F465-V596 HydrophobicContact CE1-CB 3.69Å; F465-V596 HydrophobicContact CE1-CG1 3.4Å; F465-V596 HydrophobicContact CG-CG1 4.43Å; F465-V596 HydrophobicContact CZ-CG1 3.93Å; N466-V596 HydrophobicContact CB-CG2 3.97Å; N466-V596 WeakPolarHBondContact OD1-CG2 3.19Å; V592-V596 HydrophobicContact CG1-CG2 4.43Å; V592-V596 WeakPolarHBondContact O-CG2 3.3Å; V592-V596 PolarHBondContact O-N 2.98Å; I593-V596 PolarHBondContact O-N 2.74Å; V596-R599 PolarHBondContact O-N 2.8Å; V596-R600 HydrophobicContact CG1-CG 4.43Å; V596-R600 WeakPolarHBondContact O-CB 3.49Å; V596-R600 VanDerWaalsContact O-CG 3.3Å; V596-R600 WeakPolarHBondContact O-CG 3.29Å; V596-R600 PolarHBondContact O-N 3.25Å
597	I	92.3	Very high	87.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-49.3	174.4	-66.7	166.7	0	0	0	110.1	F465 I593 I594 R599 R600 M601 L617 L618 I621	F465-I597 HydrophobicContact CE1-CG1 4.04Å; F465-I597 HydrophobicContact CZ-CG1 3.76Å; I593-I597 HydrophobicContact CG2-CD1 3.88Å; I593-I597 HydrophobicContact CG2-CG1 4.45Å; I593-I597 VanDerWaalsContact O-CG1 3.29Å; I593-I597 WeakPolarHBondContact O-CG1 3.43Å; I593-I597 PolarHBondContact O-N 3.33Å; I594-I597 PolarHBondContact O-N 3.35Å; I597-R599 PolarHBondContact O-N 2.94Å; I597-R600 PolarHBondContact O-N 3.27Å; I597-M601 HydrophobicContact CG2-CE 3.93Å; I597-M601 HydrophobicContact CG2-CG 4.21Å; I597-M601 HydrophobicContact CG2-SD 4.01Å; I597-M601 WeakPolarHBondContact O-CB 3.28Å; I597-M601 VanDerWaalsContact O-CG 3.31Å; I597-M601 WeakPolarHBondContact O-CG 3.29Å; I597-M601 PolarHBondContact O-N 3.1Å; I597-L617 HydrophobicContact CD1-CD2 3.83Å; I597-L617 HydrophobicContact CD1-CG 3.91Å; I597-L617 HydrophobicContact CG1-CD2 4.25Å; I597-L618 HydrophobicContact CG2-CB 4.37Å; I597-I621 HydrophobicContact CD1-CD1 3.77Å
598	N	91.1	Very high	87.4	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-44.1	178.6	-77.3	-11.7	0	0	0	112.1	I594 E595 M601 R602 K634 T638 I641	I594-N598 WeakPolarHBondContact O-CB 3.1Å; I594-N598 VanDerWaalsContact O-CG 3.31Å; I594-N598 PolarHBondContact O-N 2.93Å; E595-N598 PolarHBondContact O-N 2.73Å; N598-M601 WeakPolarHBondContact OD1-CE 3.35Å; N598-R602 WeakPolarHBondContact O-CG 3.32Å; N598-R602 PolarHBondContact O-N 2.65Å; N598-K634 PolarHBondContact ND2-O 2.93Å; N598-T638 VanDerWaalsContact CG-OG1 3.25Å; N598-T638 PolarHBondContact ND2-OG1 3.28Å; N598-T638 WeakPolarHBondContact OD1-CB 3.46Å; N598-T638 PolarHBondContact OD1-OG1 3.29Å; N598-I641 HydrophobicContact CB-CD1 3.52Å
599	R	90.4	Very high	87.1	Confident	80 Å²	80	54 Å²	54	30%	0.302	27%	0.265	S	S	.	.	H	α-helix	trans	-59.8	-52.4	175.4	-174.4	177.2	73.3	-148.9	1.7	110.8	N466 H468 E595 V596 I597 M601 R602 D603	N466-R599 PolarHBondContact O-NH2 2.92Å; N466-R599 VanDerWaalsContact O-NH2 3.1Å; N466-R599 PolarHBondContact OD1-NH1 3.45Å; N466-R599 PolarHBondContact OD1-NH2 3.12Å; H468-R599 PolarHBondContact NE2-NH2 3.38Å; E595-R599 WeakPolarHBondContact O-CB 3.36Å; E595-R599 PolarHBondContact O-N 2.87Å; V596-R599 PolarHBondContact O-N 2.8Å; I597-R599 PolarHBondContact O-N 2.94Å; R599-M601 PolarHBondContact O-N 3.35Å; R599-R602 WeakPolarHBondContact O-CB 3.38Å; R599-R602 PolarHBondContact O-N 3.34Å; R599-R602 VanDerWaalsContact O-N 3.1Å; R599-D603 PolarHBondContact O-N 3.02Å
600	R	89.4	Confident	86.8	Confident	23 Å²	23	55.1 Å²	55.1	9%	0.087	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-42.9	179.5	-69.7	-172	72.2	160.2	2.2	113	H468 V596 I597 R602 D603 E604 L614	H468-R600 WeakPolarHBondContact CE1-CD 3.36Å; H468-R600 WeakPolarHBondContact CE1-CG 3.26Å; H468-R600 WeakPolarHBondContact ND1-CD 3.44Å; V596-R600 HydrophobicContact CG1-CG 4.43Å; V596-R600 WeakPolarHBondContact O-CB 3.49Å; V596-R600 VanDerWaalsContact O-CG 3.3Å; V596-R600 WeakPolarHBondContact O-CG 3.29Å; V596-R600 PolarHBondContact O-N 3.25Å; I597-R600 PolarHBondContact O-N 3.27Å; R600-R602 PolarHBondContact O-N 2.93Å; R600-D603 PolarHBondContact O-N 3.42Å; R600-D603 VanDerWaalsContact O-N 3.1Å; R600-E604 IonicContact CZ-OE1 3.59Å; R600-E604 IonicContact NE-OE1 2.78Å; R600-E604 IonicContact NH2-OE1 2.94Å; R600-E604 PolarHBondContact NH2-OE1 3.06Å; R600-E604 WeakPolarHBondContact O-CB 3.25Å; R600-E604 WeakPolarHBondContact O-CG 3.35Å; R600-E604 PolarHBondContact O-N 3.34Å; R600-L614 HydrophobicContact CB-CD1 3.56Å
601	M	88.7	Confident	86.7	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-25.7	177.9	-72.5	-170.3	-51.8	0	0	113.1	I597 N598 R599 L611 L614 L615 L618 T638 I641 L645	I597-M601 HydrophobicContact CG2-CE 3.93Å; I597-M601 HydrophobicContact CG2-CG 4.21Å; I597-M601 HydrophobicContact CG2-SD 4.01Å; I597-M601 WeakPolarHBondContact O-CB 3.28Å; I597-M601 VanDerWaalsContact O-CG 3.31Å; I597-M601 WeakPolarHBondContact O-CG 3.29Å; I597-M601 PolarHBondContact O-N 3.1Å; N598-M601 WeakPolarHBondContact OD1-CE 3.35Å; R599-M601 PolarHBondContact O-N 3.35Å; M601-L611 HydrophobicContact CB-CD1 4.5Å; M601-L611 HydrophobicContact CG-CD1 4.1Å; M601-L614 HydrophobicContact CG-CB 4.41Å; M601-L614 HydrophobicContact CG-CD1 4.47Å; M601-L615 HydrophobicContact SD-CD2 3.62Å; M601-L615 HydrophobicContact SD-CG 4.39Å; M601-L618 HydrophobicContact CE-CD2 4.19Å; M601-L618 HydrophobicContact SD-CD2 4.37Å; M601-T638 HydrophobicContact CE-CG2 4.42Å; M601-I641 HydrophobicContact CB-CG2 4.14Å; M601-I641 HydrophobicContact CE-CG2 4.1Å; M601-L645 HydrophobicContact CB-CD1 4.34Å
602	R	86.9	Confident	86.6	Confident	141 Å²	141	53.6 Å²	53.6	53%	0.532	26%	0.261	S	S	.	.	H	α-helix	trans	-78.1	-35.3	173.6	-71.8	-176	-67.8	-108.4	2.2	112.7	N598 R599 R600 I641	N598-R602 WeakPolarHBondContact O-CG 3.32Å; N598-R602 PolarHBondContact O-N 2.65Å; R599-R602 WeakPolarHBondContact O-CB 3.38Å; R599-R602 PolarHBondContact O-N 3.34Å; R599-R602 VanDerWaalsContact O-N 3.1Å; R600-R602 PolarHBondContact O-N 2.93Å; R602-I641 HydrophobicContact CG-CD1 4.32Å; R602-I641 HydrophobicContact CG-CG1 4.2Å; R602-I641 HydrophobicContact CG-CG2 4.27Å
603	D	85.4	Confident	86.6	Confident	119 Å²	119	51.7 Å²	51.7	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-86.6	-25.1	-174.2	-59.1	-25.1	0	0	0	112.9	R599 R600	R599-D603 PolarHBondContact O-N 3.02Å; R600-D603 PolarHBondContact O-N 3.42Å; R600-D603 VanDerWaalsContact O-N 3.1Å
604	E	81.8	Confident	86.5	Confident	45 Å²	45	51.8 Å²	51.8	21%	0.21	25%	0.249	C	C	.	.	S	Bend	trans	-74.8	140.3	-176.1	-68	-89.2	-176.7	0	0	112.8	R600 S608 H610 L614	R600-E604 IonicContact CZ-OE1 3.59Å; R600-E604 IonicContact NE-OE1 2.78Å; R600-E604 IonicContact NH2-OE1 2.94Å; R600-E604 PolarHBondContact NH2-OE1 3.06Å; R600-E604 WeakPolarHBondContact O-CB 3.25Å; R600-E604 WeakPolarHBondContact O-CG 3.35Å; R600-E604 PolarHBondContact O-N 3.34Å; E604-S608 VanDerWaalsContact OE2-CB 3.26Å; E604-S608 WeakPolarHBondContact OE2-CB 3.31Å; E604-S608 PolarHBondContact OE2-OG 3.41Å; E604-H610 IonicContact OE2-CD2 3.65Å; E604-L614 HydrophobicContact CG-CD1 4.29Å
605	E	81.3	Confident	86.5	Confident	149 Å²	149	51.6 Å²	51.6	70%	0.696	25%	0.248	S	C	*	.			trans	-66.2	148.5	175.4	-64.7	-175.1	174.9	0	0	111.9	N607 S608	E605-N607 PolarHBondContact O-N 3.16Å; E605-S608 VanDerWaalsContact O-CB 3.25Å; E605-S608 WeakPolarHBondContact O-CB 3.48Å; E605-S608 PolarHBondContact O-N 3.06Å
606	P	73.5	Confident	86.4	Confident	72 Å²	72	47.4 Å²	47.4	47%	0.468	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-26.6	-176.8	-27.8	34.7	0	0	0	115.4	L650	P606-L650 HydrophobicContact CB-CD2 4Å; P606-L650 VanDerWaalsContact O-CD2 3.28Å; P606-L650 WeakPolarHBondContact O-CD2 3.27Å
607	N	75	Confident	86.4	Confident	125 Å²	125	47.2 Å²	47.2	67%	0.668	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	14.8	-178.8	-67	-34.7	0	0	0	113.3	E605	E605-N607 PolarHBondContact O-N 3.16Å
608	S	83.4	Confident	86.4	Confident	22 Å²	22	47.4 Å²	47.4	15%	0.154	23%	0.229	C	C	.	.			trans	-61.3	138.3	176.1	172.8	0	0	0	0	111.8	E604 E605 H610 P612	E604-S608 VanDerWaalsContact OE2-CB 3.26Å; E604-S608 WeakPolarHBondContact OE2-CB 3.31Å; E604-S608 PolarHBondContact OE2-OG 3.41Å; E605-S608 VanDerWaalsContact O-CB 3.25Å; E605-S608 WeakPolarHBondContact O-CB 3.48Å; E605-S608 PolarHBondContact O-N 3.06Å; S608-H610 PolarHBondContact O-N 3.44Å; S608-H610 WeakPolarHBondContact OG-CB 3.3Å; S608-H610 PolarHBondContact OG-N 2.84Å; S608-P612 WeakPolarHBondContact O-CD 3.41Å
609	E	82.5	Confident	86.3	Confident	97 Å²	97	47.2 Å²	47.2	45%	0.453	23%	0.228	S	C	.	.	S	Bend	trans	-64.2	-18.4	171	-68.1	178.6	-166.9	0	0	111.8	K552 P612 H613	K552-E609 IonicContact NZ-OE1 3.52Å; K552-E609 PolarHBondContact NZ-OE1 3.38Å; K552-E609 IonicContact NZ-OE2 2.76Å; E609-P612 WeakPolarHBondContact O-CG 3.24Å; E609-H613 PolarHBondContact O-CE1 2.97Å; E609-H613 PolarHBondContact O-ND1 3.11Å
610	H	84.1	Confident	86.3	Confident	79 Å²	79	43.5 Å²	43.5	37%	0.366	21%	0.214	S	C	.	.	S	Bend	trans	-86.3	-33.7	-176.5	-56.9	-58.8	0	0	0	113.6	E604 S608 H613 L614	E604-H610 IonicContact OE2-CD2 3.65Å; S608-H610 PolarHBondContact O-N 3.44Å; S608-H610 WeakPolarHBondContact OG-CB 3.3Å; S608-H610 PolarHBondContact OG-N 2.84Å; H610-H613 WeakPolarHBondContact O-CB 3.42Å; H610-H613 PolarHBondContact O-N 2.81Å; H610-L614 PolarHBondContact O-N 3.08Å; H610-L614 VanDerWaalsContact O-N 3.12Å
611	L	88.3	Confident	86.3	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-51.9	-48.1	-179.7	-176.7	61.1	0	0	0	114.1	M601 H613 L614 L615 L650	M601-L611 HydrophobicContact CB-CD1 4.5Å; M601-L611 HydrophobicContact CG-CD1 4.1Å; L611-H613 PolarHBondContact O-N 2.98Å; L611-L614 PolarHBondContact O-N 2.82Å; L611-L615 HydrophobicContact CD1-CD1 4.24Å; L611-L615 HydrophobicContact CD1-CG 4.31Å; L611-L615 HydrophobicContact CG-CD1 4.07Å; L611-L615 WeakPolarHBondContact O-CG 3.49Å; L611-L615 PolarHBondContact O-N 3.1Å; L611-L650 HydrophobicContact CD2-CD2 3.64Å
612	P	87.8	Confident	86.2	Confident	10 Å²	10	43 Å²	43	7%	0.065	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-28.1	178.2	25	-34.4	0	0	0	112.9	S608 E609 L616 R653 L657	S608-P612 WeakPolarHBondContact O-CD 3.41Å; E609-P612 WeakPolarHBondContact O-CG 3.24Å; P612-L616 WeakPolarHBondContact O-CB 3.44Å; P612-L616 PolarHBondContact O-N 3.34Å; P612-R653 HydrophobicContact CB-CG 4.16Å; P612-L657 HydrophobicContact CB-CD1 4.13Å; P612-L657 VanDerWaalsContact O-CD1 3.23Å; P612-L657 WeakPolarHBondContact O-CD1 2.98Å
613	H	89.7	Confident	86.1	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-74.6	-38.5	178	-56.6	132.5	0	0	0	112	P564 V569 E609 H610 L611 L616 L617	P564-H613 HydrophobicContact CB-CB 3.97Å; P564-H613 HydrophobicContact CG-CB 4.13Å; V569-H613 HydrophobicContact CG1-CB 4.11Å; E609-H613 PolarHBondContact O-CE1 2.97Å; E609-H613 PolarHBondContact O-ND1 3.11Å; H610-H613 WeakPolarHBondContact O-CB 3.42Å; H610-H613 PolarHBondContact O-N 2.81Å; L611-H613 PolarHBondContact O-N 2.98Å; H613-L616 PolarHBondContact O-N 3.28Å; H613-L617 PolarHBondContact O-N 3.5Å
614	L	91.2	Very high	86.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-42.1	173.7	-64.9	173.4	0	0	0	111.7	F465 R600 M601 E604 H610 L611 L617 L618	F465-L614 HydrophobicContact CE2-CD2 4.19Å; F465-L614 HydrophobicContact CZ-CD2 4.2Å; R600-L614 HydrophobicContact CB-CD1 3.56Å; M601-L614 HydrophobicContact CG-CB 4.41Å; M601-L614 HydrophobicContact CG-CD1 4.47Å; E604-L614 HydrophobicContact CG-CD1 4.29Å; H610-L614 PolarHBondContact O-N 3.08Å; H610-L614 VanDerWaalsContact O-N 3.12Å; L611-L614 PolarHBondContact O-N 2.82Å; L614-L617 PolarHBondContact O-N 3.5Å; L614-L618 WeakPolarHBondContact O-CB 3.41Å; L614-L618 PolarHBondContact O-N 2.71Å
615	L	90.3	Very high	86.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-37	176	-68.4	169.1	0	0	0	112.1	M601 L611 L618 N619 L642 S654 L657 A658	M601-L615 HydrophobicContact SD-CD2 3.62Å; M601-L615 HydrophobicContact SD-CG 4.39Å; L611-L615 HydrophobicContact CD1-CD1 4.24Å; L611-L615 HydrophobicContact CD1-CG 4.31Å; L611-L615 HydrophobicContact CG-CD1 4.07Å; L611-L615 WeakPolarHBondContact O-CG 3.49Å; L611-L615 PolarHBondContact O-N 3.1Å; L615-L618 PolarHBondContact O-N 3.33Å; L615-N619 PolarHBondContact O-N 3.49Å; L615-N619 PolarHBondContact O-ND2 3.42Å; L615-L642 HydrophobicContact CD2-CD2 3.68Å; L615-S654 WeakPolarHBondContact CD1-O 3.44Å; L615-L657 HydrophobicContact CB-CB 3.72Å; L615-L657 HydrophobicContact CB-CD1 4.4Å; L615-L657 HydrophobicContact CD1-CB 4.29Å; L615-A658 HydrophobicContact CD1-CB 4.01Å; L615-A658 HydrophobicContact CD2-CB 4.18Å
616	L	90.3	Very high	86	Confident	7 Å²	7	30.5 Å²	30.5	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-49.4	172.8	175.6	62.9	0	0	0	110.9	Y424 L426 P612 H613 L618 N619 L620 L657	Y424-L616 HydrophobicContact CD2-CD2 3.92Å; Y424-L616 HydrophobicContact CE2-CD2 4.29Å; Y424-L616 HydrophobicContact CG-CD2 4.18Å; L426-L616 HydrophobicContact CD1-CD1 4.1Å; L426-L616 HydrophobicContact CD2-CD1 4.34Å; L426-L616 HydrophobicContact CG-CD1 4.31Å; P612-L616 WeakPolarHBondContact O-CB 3.44Å; P612-L616 PolarHBondContact O-N 3.34Å; H613-L616 PolarHBondContact O-N 3.28Å; L616-L618 VanDerWaalsContact C-N 3.31Å; L616-L618 PolarHBondContact O-N 3.13Å; L616-N619 PolarHBondContact O-N 2.6Å; L616-L620 HydrophobicContact CD1-CD1 4.26Å; L616-L620 HydrophobicContact CD1-CG 4.33Å; L616-L620 HydrophobicContact CG-CD1 4.12Å; L616-L620 WeakPolarHBondContact O-CG 3.49Å; L616-L620 PolarHBondContact O-N 3.23Å; L616-L657 HydrophobicContact CB-CD1 4.39Å
617	L	92.2	Very high	85.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-45.8	176.9	176.4	58.1	0	0	0	111.4	F465 L572 F576 I597 H613 L614 N619 L620 I621	F465-L617 HydrophobicContact CE2-CD2 4.3Å; F465-L617 HydrophobicContact CZ-CD2 4.05Å; L572-L617 HydrophobicContact CB-CD1 3.78Å; L572-L617 HydrophobicContact CB-CD2 4.1Å; L572-L617 HydrophobicContact CD1-CD2 4.18Å; F576-L617 HydrophobicContact CD2-CD1 3.72Å; F576-L617 HydrophobicContact CE2-CD1 4.42Å; I597-L617 HydrophobicContact CD1-CD2 3.83Å; I597-L617 HydrophobicContact CD1-CG 3.91Å; I597-L617 HydrophobicContact CG1-CD2 4.25Å; H613-L617 PolarHBondContact O-N 3.5Å; L614-L617 PolarHBondContact O-N 3.5Å; L617-N619 PolarHBondContact O-N 2.95Å; L617-L620 PolarHBondContact O-N 2.88Å; L617-I621 HydrophobicContact CD1-CD1 3.99Å; L617-I621 HydrophobicContact CD1-CG1 4.32Å; L617-I621 HydrophobicContact CG-CD1 3.94Å; L617-I621 WeakPolarHBondContact O-CG1 3.49Å; L617-I621 PolarHBondContact O-N 2.85Å
618	L	91.3	Very high	85.1	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-44.6	177.2	-178.2	64.2	0	0	0	112.2	I597 M601 L614 L615 L616 I621 C622 T638 L642 A661 I665	I597-L618 HydrophobicContact CG2-CB 4.37Å; M601-L618 HydrophobicContact CE-CD2 4.19Å; M601-L618 HydrophobicContact SD-CD2 4.37Å; L614-L618 WeakPolarHBondContact O-CB 3.41Å; L614-L618 PolarHBondContact O-N 2.71Å; L615-L618 PolarHBondContact O-N 3.33Å; L616-L618 VanDerWaalsContact C-N 3.31Å; L616-L618 PolarHBondContact O-N 3.13Å; L618-I621 PolarHBondContact O-N 2.67Å; L618-C622 WeakPolarHBondContact O-CB 3.29Å; L618-C622 PolarHBondContact O-N 3.49Å; L618-C622 PolarHBondContact O-SG 2.72Å; L618-T638 HydrophobicContact CD1-CG2 4.09Å; L618-T638 HydrophobicContact CD2-CG2 3.57Å; L618-T638 HydrophobicContact CG-CG2 4.43Å; L618-L642 HydrophobicContact CD2-CD1 4.14Å; L618-L642 HydrophobicContact CD2-CD2 4.37Å; L618-A661 HydrophobicContact CD2-CB 4.15Å; L618-I665 HydrophobicContact CD2-CD1 4.48Å
619	N	89.5	Confident	83.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-43.5	175.8	-82	-74.8	0	0	0	111.7	L426 L615 L616 L617 I621 C622 I623 L657 A661 Q664	L426-N619 HydrophobicContact CD2-CB 3.65Å; L615-N619 PolarHBondContact O-N 3.49Å; L615-N619 PolarHBondContact O-ND2 3.42Å; L616-N619 PolarHBondContact O-N 2.6Å; L617-N619 PolarHBondContact O-N 2.95Å; N619-I621 VanDerWaalsContact C-N 3.34Å; N619-I621 PolarHBondContact O-N 3.45Å; N619-C622 WeakPolarHBondContact O-CA 3.36Å; N619-C622 WeakPolarHBondContact O-CB 3.3Å; N619-C622 PolarHBondContact O-N 2.89Å; N619-C622 VanDerWaalsContact O-N 3.15Å; N619-I623 VanDerWaalsContact O-CG1 3.24Å; N619-I623 WeakPolarHBondContact O-CG1 3.37Å; N619-I623 PolarHBondContact O-N 2.99Å; N619-L657 PolarHBondContact ND2-O 3.14Å; N619-A661 WeakPolarHBondContact OD1-CA 3.38Å; N619-A661 PolarHBondContact OD1-N 2.92Å; N619-Q664 PolarHBondContact O-OE1 3.05Å; N619-Q664 PolarHBondContact OD1-OE1 3.43Å
620	L	89.8	Confident	82.6	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-41.9	178.5	-68	171	0	0	0	111.6	Y424 L426 C573 F576 L616 L617 I623 N624	Y424-L620 HydrophobicContact CD1-CD1 4.02Å; L426-L620 HydrophobicContact CD2-CD2 4.44Å; C573-L620 HydrophobicContact CB-CD1 3.74Å; C573-L620 WeakPolarHBondContact O-CD1 3.44Å; F576-L620 HydrophobicContact CB-CB 4.08Å; L616-L620 HydrophobicContact CD1-CD1 4.26Å; L616-L620 HydrophobicContact CD1-CG 4.33Å; L616-L620 HydrophobicContact CG-CD1 4.12Å; L616-L620 WeakPolarHBondContact O-CG 3.49Å; L616-L620 PolarHBondContact O-N 3.23Å; L617-L620 PolarHBondContact O-N 2.88Å; L620-I623 PolarHBondContact O-N 2.96Å; L620-N624 WeakPolarHBondContact O-CB 3.17Å; L620-N624 PolarHBondContact O-N 3.46Å
621	I	90.4	Very high	81	Confident	1 Å²	1	31 Å²	31	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-48.9	171.1	-71.6	166.2	0	0	0	109.9	F576 L590 I593 I594 I597 L617 L618 N619 I623 T625 I627	F576-I621 HydrophobicContact CB-CG1 4.08Å; F576-I621 HydrophobicContact CD1-CG1 3.8Å; F576-I621 HydrophobicContact CD2-CD1 4.07Å; F576-I621 HydrophobicContact CD2-CG1 3.65Å; F576-I621 HydrophobicContact CE1-CG1 4.1Å; F576-I621 HydrophobicContact CE2-CD1 4.04Å; F576-I621 HydrophobicContact CE2-CG1 3.96Å; F576-I621 HydrophobicContact CG-CD1 4.47Å; F576-I621 HydrophobicContact CG-CG1 3.56Å; F576-I621 HydrophobicContact CZ-CD1 4.42Å; F576-I621 HydrophobicContact CZ-CG1 4.16Å; L590-I621 HydrophobicContact CD1-CG2 3.96Å; I593-I621 HydrophobicContact CG2-CD1 3.94Å; I594-I621 HydrophobicContact CD1-CG2 4.33Å; I594-I621 HydrophobicContact CG1-CG2 4.42Å; I597-I621 HydrophobicContact CD1-CD1 3.77Å; L617-I621 HydrophobicContact CD1-CD1 3.99Å; L617-I621 HydrophobicContact CD1-CG1 4.32Å; L617-I621 HydrophobicContact CG-CD1 3.94Å; L617-I621 WeakPolarHBondContact O-CG1 3.49Å; L617-I621 PolarHBondContact O-N 2.85Å; L618-I621 PolarHBondContact O-N 2.67Å; N619-I621 VanDerWaalsContact C-N 3.34Å; N619-I621 PolarHBondContact O-N 3.45Å; I621-I623 VanDerWaalsContact C-N 3.31Å; I621-I623 PolarHBondContact O-N 3.15Å; I621-T625 WeakPolarHBondContact O-CB 3.34Å; I621-T625 PolarHBondContact O-N 3.37Å; I621-T625 PolarHBondContact O-OG1 3.33Å; I621-I627 HydrophobicContact CG2-CD1 3.77Å; I621-I627 VanDerWaalsContact O-CD1 3.23Å; I621-I627 WeakPolarHBondContact O-CD1 3.23Å
622	C	85.7	Confident	79.6	Confident	15 Å²	15	31.4 Å²	31.4	10%	0.101	18%	0.18	C	C	.	.	H	α-helix	trans	-56.1	-39.9	177.6	-69.3	0	0	0	0	114.1	L618 N619 I627 Q664 I665	L618-C622 WeakPolarHBondContact O-CB 3.29Å; L618-C622 PolarHBondContact O-N 3.49Å; L618-C622 PolarHBondContact O-SG 2.72Å; N619-C622 WeakPolarHBondContact O-CA 3.36Å; N619-C622 WeakPolarHBondContact O-CB 3.3Å; N619-C622 PolarHBondContact O-N 2.89Å; N619-C622 VanDerWaalsContact O-N 3.15Å; C622-I627 HydrophobicContact CB-CD1 4.33Å; C622-Q664 HydrophobicContact CB-CB 4.29Å; C622-I665 WeakPolarHBondContact SG-CG1 3.21Å
623	I	85.6	Confident	78.3	Confident	44 Å²	44	37.6 Å²	37.6	23%	0.226	21%	0.212	C	C	.	.	H	α-helix	trans	-79.3	-45.9	-176.2	-65.9	163.7	0	0	0	111.7	L426 N427 N619 L620 I621	L426-I623 HydrophobicContact CD2-CD1 3.64Å; N427-I623 WeakPolarHBondContact ND2-CG2 3.25Å; N619-I623 VanDerWaalsContact O-CG1 3.24Å; N619-I623 WeakPolarHBondContact O-CG1 3.37Å; N619-I623 PolarHBondContact O-N 2.99Å; L620-I623 PolarHBondContact O-N 2.96Å; I621-I623 VanDerWaalsContact C-N 3.31Å; I621-I623 PolarHBondContact O-N 3.15Å
624	N	86.7	Confident	77.6	Confident	34 Å²	34	39.2 Å²	39.2	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-103.6	-8	-163.7	-69.9	-48	0	0	0	114.4	F576 S577 S579 L620	F576-N624 WeakPolarHBondContact O-CB 3.29Å; F576-N624 PolarHBondContact O-ND2 2.84Å; S577-N624 PolarHBondContact O-ND2 3.17Å; S579-N624 WeakPolarHBondContact CA-O 3.15Å; S579-N624 WeakPolarHBondContact CB-O 3.17Å; S579-N624 PolarHBondContact OG-O 3.05Å; L620-N624 WeakPolarHBondContact O-CB 3.17Å; L620-N624 PolarHBondContact O-N 3.46Å
625	T	84.4	Confident	76.8	Confident	21 Å²	21	40 Å²	40	13%	0.129	22%	0.223	C	C	.	.	S	Bend	trans	-113.4	147.5	176.4	73.3	0	0	0	0	111.2	F576 I621 I627	F576-T625 HydrophobicContact CD1-CG2 3.61Å; F576-T625 HydrophobicContact CE1-CG2 3.78Å; I621-T625 WeakPolarHBondContact O-CB 3.34Å; I621-T625 PolarHBondContact O-N 3.37Å; I621-T625 PolarHBondContact O-OG1 3.33Å; T625-I627 VanDerWaalsContact C-N 3.28Å; T625-I627 PolarHBondContact O-N 3.14Å; T625-I627 VanDerWaalsContact OG1-CD1 3.28Å; T625-I627 WeakPolarHBondContact OG1-CD1 3.14Å; T625-I627 WeakPolarHBondContact OG1-CG1 3.48Å
626	N	75	Confident	76.2	Confident	93 Å²	93	44 Å²	44	50%	0.497	24%	0.244	S	C	.	.			trans	-81.3	77	-179.4	-171.4	-8.2	0	0	0	111.3	A628 N629	N626-A628 VanDerWaalsContact C-N 3.32Å; N626-N629 VanDerWaalsContact ND2-CG 3.32Å; N626-N629 PolarHBondContact ND2-ND2 3.41Å; N626-N629 WeakPolarHBondContact OD1-CB 3.15Å; N626-N629 PolarHBondContact OD1-N 3.36Å
627	I	70.9	Confident	75.8	Confident	15 Å²	15	46.9 Å²	46.9	8%	0.077	26%	0.26	C	S	.	.			trans	-72.9	-28.3	176.8	-74.2	154.7	0	0	0	111.3	I621 C622 T625 N629 I635 V668	I621-I627 HydrophobicContact CG2-CD1 3.77Å; I621-I627 VanDerWaalsContact O-CD1 3.23Å; I621-I627 WeakPolarHBondContact O-CD1 3.23Å; C622-I627 HydrophobicContact CB-CD1 4.33Å; T625-I627 VanDerWaalsContact C-N 3.28Å; T625-I627 PolarHBondContact O-N 3.14Å; T625-I627 VanDerWaalsContact OG1-CD1 3.28Å; T625-I627 WeakPolarHBondContact OG1-CD1 3.14Å; T625-I627 WeakPolarHBondContact OG1-CG1 3.48Å; I627-N629 PolarHBondContact O-N 3.17Å; I627-I635 HydrophobicContact CB-CD1 4.3Å; I627-I635 HydrophobicContact CG2-CD1 3.3Å; I627-I635 HydrophobicContact CG2-CG1 3.88Å; I627-I635 HydrophobicContact CG2-CG2 4.21Å; I627-V668 HydrophobicContact CB-CG1 4.5Å; I627-V668 HydrophobicContact CG2-CG1 4.03Å
628	A	58.3	Low	75.4	Confident	36 Å²	36	47 Å²	47	30%	0.298	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-35.1	-175.4	0	0	0	0	0	114	N626 K630 V668 S672	N626-A628 VanDerWaalsContact C-N 3.32Å; A628-K630 PolarHBondContact O-N 3.19Å; A628-V668 VanDerWaalsContact CA-CG1 3.41Å; A628-V668 HydrophobicContact CB-CG1 3.57Å; A628-S672 PolarHBondContact O-OG 2.99Å
629	N	58.2	Low	75	Confident	120 Å²	120	48.6 Å²	48.6	64%	0.642	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.6	-171.6	-81	2.2	0	0	0	114.3	N626 I627	N626-N629 VanDerWaalsContact ND2-CG 3.32Å; N626-N629 PolarHBondContact ND2-ND2 3.41Å; N626-N629 WeakPolarHBondContact OD1-CB 3.15Å; N626-N629 PolarHBondContact OD1-N 3.36Å; I627-N629 PolarHBondContact O-N 3.17Å
630	K	54.6	Low	74.7	Confident	107 Å²	107	55.3 Å²	55.3	47%	0.465	30%	0.3	S	S	.	.	S	Bend	trans	-142.4	111.3	-167.7	-61.6	179.5	-170.5	174.1	0	109.7	Q587 A628 S632	Q587-K630 HydrophobicContact CG-CD 4.14Å; Q587-K630 VanDerWaalsContact OE1-CD 3.25Å; A628-K630 PolarHBondContact O-N 3.19Å; K630-S632 PolarHBondContact O-N 3.48Å
631	S	50.3	Low	74.5	Confident	127 Å²	127	56.2 Å²	56.2	89%	0.888	30%	0.304	S	S	*	.			trans	-57.7	66.1	172.7	56.1	0	0	0	0	112.7	L633	S631-L633 PolarHBondContact O-N 3.07Å
632	S	58.9	Low	74.1	Confident	12 Å²	12	56.1 Å²	56.1	8%	0.084	30%	0.304	C	S	.	.			trans	-77.8	113.6	169.8	101	0	0	0	0	106.9	K630 K634 I635	K630-S632 PolarHBondContact O-N 3.48Å; S632-K634 PolarHBondContact O-N 3.35Å; S632-I635 PolarHBondContact O-N 2.94Å; S632-I635 WeakPolarHBondContact OG-CD1 3.36Å; S632-I635 VanDerWaalsContact OG-CG1 3.29Å; S632-I635 WeakPolarHBondContact OG-CG1 3.43Å; S632-I635 PolarHBondContact OG-N 3.18Å
633	L	61.6	Low	73.9	Confident	140 Å²	140	57.8 Å²	57.8	73%	0.733	32%	0.315	S	S	*	.	H	α-helix	trans	-45.6	-31.5	173.4	-78.2	146.8	0	0	0	111.5	S631 I635 N636 D637	S631-L633 PolarHBondContact O-N 3.07Å; L633-I635 VanDerWaalsContact C-N 3.35Å; L633-I635 PolarHBondContact O-N 3.5Å; L633-N636 WeakPolarHBondContact O-CB 3.33Å; L633-N636 PolarHBondContact O-N 3.46Å; L633-D637 PolarHBondContact O-N 3.42Å
634	K	74.6	Confident	73.6	Confident	46 Å²	46	59.1 Å²	59.1	20%	0.2	33%	0.327	C	S	.	.	H	α-helix	trans	-63.7	-30.4	-178.7	-57.9	-177.4	175.4	-169.7	0	114.6	D591 I594 E595 N598 S632 D637 T638	D591-K634 HydrophobicContact CB-CD 3.89Å; D591-K634 WeakPolarHBondContact O-CD 3.4Å; D591-K634 PolarHBondContact O-NZ 3.46Å; I594-K634 HydrophobicContact CG2-CB 4.16Å; E595-K634 HydrophobicContact CB-CD 4.12Å; E595-K634 VanDerWaalsContact OE2-CE 3.3Å; E595-K634 WeakPolarHBondContact OE2-CE 3.28Å; E595-K634 IonicContact OE2-NZ 3.57Å; E595-K634 PolarHBondContact OE2-NZ 3.08Å; N598-K634 PolarHBondContact ND2-O 2.93Å; S632-K634 PolarHBondContact O-N 3.35Å; K634-D637 WeakPolarHBondContact O-CB 3.21Å; K634-D637 PolarHBondContact O-N 3.47Å; K634-T638 PolarHBondContact O-N 3.29Å; K634-T638 PolarHBondContact O-OG1 3.37Å
635	I	75	Confident	73.2	Confident	17 Å²	17	58.7 Å²	58.7	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-72.9	-34.3	177	-65.4	149.4	0	0	0	110.8	I627 S632 L633 T638 M639 I665 V669	I627-I635 HydrophobicContact CB-CD1 4.3Å; I627-I635 HydrophobicContact CG2-CD1 3.3Å; I627-I635 HydrophobicContact CG2-CG1 3.88Å; I627-I635 HydrophobicContact CG2-CG2 4.21Å; S632-I635 PolarHBondContact O-N 2.94Å; S632-I635 WeakPolarHBondContact OG-CD1 3.36Å; S632-I635 VanDerWaalsContact OG-CG1 3.29Å; S632-I635 WeakPolarHBondContact OG-CG1 3.43Å; S632-I635 PolarHBondContact OG-N 3.18Å; L633-I635 VanDerWaalsContact C-N 3.35Å; L633-I635 PolarHBondContact O-N 3.5Å; I635-T638 WeakPolarHBondContact O-CB 3.41Å; I635-T638 PolarHBondContact O-N 3.33Å; I635-M639 PolarHBondContact O-N 2.96Å; I635-M639 VanDerWaalsContact O-N 3.08Å; I635-I665 HydrophobicContact CG2-CG2 3.45Å; I635-I665 VanDerWaalsContact CG2-CG2 3.45Å; I635-V669 HydrophobicContact CG2-CG2 4.44Å
636	N	76.6	Confident	72.6	Confident	83 Å²	83	59 Å²	59	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-42.5	173.5	-68.2	-25.2	0	0	0	110.1	L633 T638 M639 E640	L633-N636 WeakPolarHBondContact O-CB 3.33Å; L633-N636 PolarHBondContact O-N 3.46Å; N636-T638 VanDerWaalsContact C-N 3.25Å; N636-T638 PolarHBondContact O-N 3.22Å; N636-M639 WeakPolarHBondContact O-CB 3.26Å; N636-M639 PolarHBondContact O-N 3.32Å; N636-E640 PolarHBondContact O-N 2.99Å; N636-E640 VanDerWaalsContact O-N 3.11Å
637	D	82.6	Confident	72.3	Confident	69 Å²	69	62.4 Å²	62.4	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-39.5	172.1	-55.5	-18.2	0	0	0	111.4	L633 K634 M639 E640 I641	L633-D637 PolarHBondContact O-N 3.42Å; K634-D637 WeakPolarHBondContact O-CB 3.21Å; K634-D637 PolarHBondContact O-N 3.47Å; D637-M639 VanDerWaalsContact C-N 3.32Å; D637-M639 PolarHBondContact O-N 2.9Å; D637-E640 PolarHBondContact O-N 2.88Å; D637-I641 WeakPolarHBondContact O-CD1 3.48Å; D637-I641 WeakPolarHBondContact O-CG1 3.45Å; D637-I641 PolarHBondContact O-N 3.46Å
638	T	83.9	Confident	72.3	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-41	174.9	-56.6	0	0	0	0	111.8	N598 M601 L618 K634 I635 N636 I641 L642 I665	N598-T638 VanDerWaalsContact CG-OG1 3.25Å; N598-T638 PolarHBondContact ND2-OG1 3.28Å; N598-T638 WeakPolarHBondContact OD1-CB 3.46Å; N598-T638 PolarHBondContact OD1-OG1 3.29Å; M601-T638 HydrophobicContact CE-CG2 4.42Å; L618-T638 HydrophobicContact CD1-CG2 4.09Å; L618-T638 HydrophobicContact CD2-CG2 3.57Å; L618-T638 HydrophobicContact CG-CG2 4.43Å; K634-T638 PolarHBondContact O-N 3.29Å; K634-T638 PolarHBondContact O-OG1 3.37Å; I635-T638 WeakPolarHBondContact O-CB 3.41Å; I635-T638 PolarHBondContact O-N 3.33Å; N636-T638 VanDerWaalsContact C-N 3.25Å; N636-T638 PolarHBondContact O-N 3.22Å; T638-I641 PolarHBondContact O-N 3.3Å; T638-L642 HydrophobicContact CG2-CD1 3.84Å; T638-L642 HydrophobicContact CG2-CG 4.17Å; T638-L642 WeakPolarHBondContact O-CB 3.39Å; T638-L642 VanDerWaalsContact O-CG 3.24Å; T638-L642 WeakPolarHBondContact O-CG 3.49Å; T638-L642 PolarHBondContact O-N 2.99Å; T638-I665 HydrophobicContact CG2-CD1 3.65Å
639	M	82.2	Confident	72.9	Confident	36 Å²	36	67.1 Å²	67.1	18%	0.177	38%	0.375	C	S	.	.	H	α-helix	trans	-63	-41.8	176.1	-78.4	-68.2	-74.3	0	0	112.2	I635 N636 D637 L642 S643 H662 I665 K666	I635-M639 PolarHBondContact O-N 2.96Å; I635-M639 VanDerWaalsContact O-N 3.08Å; N636-M639 WeakPolarHBondContact O-CB 3.26Å; N636-M639 PolarHBondContact O-N 3.32Å; D637-M639 VanDerWaalsContact C-N 3.32Å; D637-M639 PolarHBondContact O-N 2.9Å; M639-L642 PolarHBondContact O-N 3.29Å; M639-S643 PolarHBondContact O-N 3.35Å; M639-S643 VanDerWaalsContact O-N 3.14Å; M639-H662 WeakPolarHBondContact CE-CE1 3.33Å; M639-I665 HydrophobicContact CG-CB 4.22Å; M639-I665 HydrophobicContact CG-CG2 3.41Å; M639-I665 VanDerWaalsContact CG-CG2 3.41Å; M639-I665 HydrophobicContact SD-CB 3.66Å; M639-I665 HydrophobicContact SD-CG2 3.53Å; M639-I665 VanDerWaalsContact SD-CG2 3.53Å; M639-K666 HydrophobicContact CE-CB 3.88Å; M639-K666 HydrophobicContact CE-CG 4.4Å
640	E	83.5	Confident	73.8	Confident	142 Å²	142	62.3 Å²	62.3	66%	0.664	35%	0.349	S	S	*	.	H	α-helix	trans	-61.3	-43.9	175.9	-67.8	-173.9	176.6	0	0	111.4	N636 D637 S643 P644	N636-E640 PolarHBondContact O-N 2.99Å; N636-E640 VanDerWaalsContact O-N 3.11Å; D637-E640 PolarHBondContact O-N 2.88Å; E640-S643 PolarHBondContact O-N 2.63Å; E640-S643 PolarHBondContact O-OG 2.95Å; E640-P644 WeakPolarHBondContact O-CD 3.44Å
641	I	84.7	Confident	75	Confident	20 Å²	20	59 Å²	59	10%	0.103	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-38.7	178.5	-61.1	158.8	0	0	0	112.3	N598 M601 R602 D637 T638 S643 P644 L645	N598-I641 HydrophobicContact CB-CD1 3.52Å; M601-I641 HydrophobicContact CB-CG2 4.14Å; M601-I641 HydrophobicContact CE-CG2 4.1Å; R602-I641 HydrophobicContact CG-CD1 4.32Å; R602-I641 HydrophobicContact CG-CG1 4.2Å; R602-I641 HydrophobicContact CG-CG2 4.27Å; D637-I641 WeakPolarHBondContact O-CD1 3.48Å; D637-I641 WeakPolarHBondContact O-CG1 3.45Å; D637-I641 PolarHBondContact O-N 3.46Å; T638-I641 PolarHBondContact O-N 3.3Å; I641-S643 VanDerWaalsContact C-N 3.3Å; I641-S643 PolarHBondContact O-N 3.48Å; I641-P644 VanDerWaalsContact O-CD 3.22Å; I641-P644 WeakPolarHBondContact O-CD 3.48Å; I641-P644 VanDerWaalsContact O-CG 3.31Å; I641-P644 WeakPolarHBondContact O-CG 3.45Å; I641-L645 HydrophobicContact CG2-CD1 3.96Å; I641-L645 WeakPolarHBondContact O-CG 3.39Å
642	L	83.6	Confident	76.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70	-27.2	179.9	-74.4	174.4	0	0	0	112.6	L615 L618 T638 M639 L645 S646 A658 A661 H662 I665	L615-L642 HydrophobicContact CD2-CD2 3.68Å; L618-L642 HydrophobicContact CD2-CD1 4.14Å; L618-L642 HydrophobicContact CD2-CD2 4.37Å; T638-L642 HydrophobicContact CG2-CD1 3.84Å; T638-L642 HydrophobicContact CG2-CG 4.17Å; T638-L642 WeakPolarHBondContact O-CB 3.39Å; T638-L642 VanDerWaalsContact O-CG 3.24Å; T638-L642 WeakPolarHBondContact O-CG 3.49Å; T638-L642 PolarHBondContact O-N 2.99Å; M639-L642 PolarHBondContact O-N 3.29Å; L642-L645 PolarHBondContact O-N 3.39Å; L642-S646 WeakPolarHBondContact O-CB 3.41Å; L642-S646 PolarHBondContact O-N 3.41Å; L642-S646 PolarHBondContact O-OG 3Å; L642-A658 HydrophobicContact CD2-CB 4.32Å; L642-A661 HydrophobicContact CD1-CB 3.86Å; L642-A661 HydrophobicContact CD2-CB 4.42Å; L642-H662 HydrophobicContact CB-CB 4.34Å; L642-H662 HydrophobicContact CD1-CB 4.32Å; L642-I665 HydrophobicContact CD1-CD1 3.71Å
643	S	80.2	Confident	77.5	Confident	49 Å²	49	60.9 Å²	60.9	34%	0.343	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-51.9	-179	72.9	0	0	0	0	114.1	M639 E640 I641 S646	M639-S643 PolarHBondContact O-N 3.35Å; M639-S643 VanDerWaalsContact O-N 3.14Å; E640-S643 PolarHBondContact O-N 2.63Å; E640-S643 PolarHBondContact O-OG 2.95Å; I641-S643 VanDerWaalsContact C-N 3.3Å; I641-S643 PolarHBondContact O-N 3.48Å; S643-S646 PolarHBondContact O-N 3.19Å; S643-S646 PolarHBondContact O-OG 2.97Å
644	P	80.8	Confident	78.4	Confident	73 Å²	73	54.2 Å²	54.2	47%	0.474	31%	0.305	S	S	.	.	H	α-helix	trans	-67.8	-36.4	173.9	28.4	-35.9	0	0	0	112.1	E640 I641 S646 Q647 A648	E640-P644 WeakPolarHBondContact O-CD 3.44Å; I641-P644 VanDerWaalsContact O-CD 3.22Å; I641-P644 WeakPolarHBondContact O-CD 3.48Å; I641-P644 VanDerWaalsContact O-CG 3.31Å; I641-P644 WeakPolarHBondContact O-CG 3.45Å; P644-S646 VanDerWaalsContact C-N 3.31Å; P644-S646 PolarHBondContact O-N 3.46Å; P644-Q647 PolarHBondContact O-N 3.47Å; P644-Q647 VanDerWaalsContact O-N 3.1Å; P644-A648 WeakPolarHBondContact O-CB 3.34Å; P644-A648 PolarHBondContact O-N 3.28Å
645	L	77.9	Confident	78.8	Confident	24 Å²	24	56.3 Å²	56.3	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-38.6	178.6	-71.8	174.1	0	0	0	111.9	M601 I641 L642 Q647 A648 L650	M601-L645 HydrophobicContact CB-CD1 4.34Å; I641-L645 HydrophobicContact CG2-CD1 3.96Å; I641-L645 WeakPolarHBondContact O-CG 3.39Å; L642-L645 PolarHBondContact O-N 3.39Å; L645-Q647 PolarHBondContact O-N 3.49Å; L645-A648 PolarHBondContact O-N 3.07Å; L645-L650 HydrophobicContact CB-CD1 4.2Å; L645-L650 HydrophobicContact CD2-CD1 4.43Å; L645-L650 HydrophobicContact CD2-CD2 4.35Å; L645-L650 WeakPolarHBondContact O-CD1 3.41Å
646	S	71.5	Confident	79.3	Confident	28 Å²	28	60.1 Å²	60.1	20%	0.196	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-25.1	176.7	74	0	0	0	0	113.7	L642 S643 P644	L642-S646 WeakPolarHBondContact O-CB 3.41Å; L642-S646 PolarHBondContact O-N 3.41Å; L642-S646 PolarHBondContact O-OG 3Å; S643-S646 PolarHBondContact O-N 3.19Å; S643-S646 PolarHBondContact O-OG 2.97Å; P644-S646 VanDerWaalsContact C-N 3.31Å; P644-S646 PolarHBondContact O-N 3.46Å
647	Q	68.6	Low	79.7	Confident	164 Å²	164	56.8 Å²	56.8	77%	0.766	32%	0.32	S	S	*	.	H	α-helix	trans	-96.8	-21.3	-178.6	-63.4	179	12.4	0	0	113.1	P644 L645	P644-Q647 PolarHBondContact O-N 3.47Å; P644-Q647 VanDerWaalsContact O-N 3.1Å; L645-Q647 PolarHBondContact O-N 3.49Å
648	A	71.3	Confident	79.8	Confident	38 Å²	38	53.5 Å²	53.5	31%	0.314	30%	0.302	S	S	.	.	S	Bend	trans	-68.8	157.6	-179.1	0	0	0	0	0	113.1	P644 L645 L650	P644-A648 WeakPolarHBondContact O-CB 3.34Å; P644-A648 PolarHBondContact O-N 3.28Å; L645-A648 PolarHBondContact O-N 3.07Å; A648-L650 HydrophobicContact CB-CG 4.21Å; A648-L650 PolarHBondContact O-N 2.73Å
649	S	70.6	Confident	79.8	Confident	113 Å²	113	57.5 Å²	57.5	79%	0.79	32%	0.322	S	S	*	.			trans	-74.3	71	170.8	57.2	0	0	0	0	110.7
650	L	76.9	Confident	79.9	Confident	18 Å²	18	57.1 Å²	57.1	9%	0.094	33%	0.325	C	S	.	.			trans	-85.7	165.6	175.1	-66.6	177.5	0	0	0	111.9	P606 L611 L645 A648 K655	P606-L650 HydrophobicContact CB-CD2 4Å; P606-L650 VanDerWaalsContact O-CD2 3.28Å; P606-L650 WeakPolarHBondContact O-CD2 3.27Å; L611-L650 HydrophobicContact CD2-CD2 3.64Å; L645-L650 HydrophobicContact CB-CD1 4.2Å; L645-L650 HydrophobicContact CD2-CD1 4.43Å; L645-L650 HydrophobicContact CD2-CD2 4.35Å; L645-L650 WeakPolarHBondContact O-CD1 3.41Å; A648-L650 HydrophobicContact CB-CG 4.21Å; A648-L650 PolarHBondContact O-N 2.73Å; L650-K655 HydrophobicContact CB-CB 4.35Å
651	S	79.7	Confident	79.9	Confident	39 Å²	39	50.4 Å²	50.4	27%	0.273	29%	0.293	S	S	.	.			trans	-54.1	148.6	164.9	85.1	0	0	0	0	111.2	R653 S654 K655	S651-R653 PolarHBondContact O-N 2.74Å; S651-R653 VanDerWaalsContact O-N 3.16Å; S651-S654 PolarHBondContact O-N 3.29Å; S651-S654 VanDerWaalsContact O-N 3.16Å; S651-S654 WeakPolarHBondContact OG-CB 3.29Å; S651-S654 PolarHBondContact OG-N 3.35Å; S651-S654 VanDerWaalsContact OG-N 3.14Å; S651-S654 PolarHBondContact OG-OG 3.16Å; S651-K655 PolarHBondContact O-N 3.05Å
652	P	80.5	Confident	79.9	Confident	107 Å²	107	51.5 Å²	51.5	70%	0.695	30%	0.298	S	S	*	.	H	α-helix	trans	-54.1	-38.2	-179.6	-27.5	34.5	0	0	0	113.4	T656	P652-T656 WeakPolarHBondContact O-CB 3.24Å; P652-T656 PolarHBondContact O-N 3.31Å; P652-T656 PolarHBondContact O-OG1 3.34Å
653	R	80.9	Confident	79.8	Confident	70 Å²	70	57.8 Å²	57.8	26%	0.264	33%	0.327	S	S	.	.	H	α-helix	trans	-67.5	-49.8	178.1	-177.5	175.7	172	-164.3	-5.9	111.7	N562 P612 S651 K655 T656 L657	N562-R653 VanDerWaalsContact CA-NH2 3.31Å; N562-R653 PolarHBondContact O-NH2 3.4Å; N562-R653 PolarHBondContact OD1-NE 3.05Å; N562-R653 PolarHBondContact OD1-NH1 2.91Å; P612-R653 HydrophobicContact CB-CG 4.16Å; S651-R653 PolarHBondContact O-N 2.74Å; S651-R653 VanDerWaalsContact O-N 3.16Å; R653-K655 VanDerWaalsContact C-N 3.3Å; R653-K655 PolarHBondContact O-N 3Å; R653-T656 PolarHBondContact O-N 3.08Å; R653-L657 HydrophobicContact CG-CD1 3.98Å; R653-L657 WeakPolarHBondContact O-CG 3.46Å; R653-L657 PolarHBondContact O-N 2.8Å
654	S	81.6	Confident	79.8	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-42	177.9	-58.8	0	0	0	0	111.1	L615 S651 T656 L657 A658	L615-S654 WeakPolarHBondContact CD1-O 3.44Å; S651-S654 PolarHBondContact O-N 3.29Å; S651-S654 VanDerWaalsContact O-N 3.16Å; S651-S654 WeakPolarHBondContact OG-CB 3.29Å; S651-S654 PolarHBondContact OG-N 3.35Å; S651-S654 VanDerWaalsContact OG-N 3.14Å; S651-S654 PolarHBondContact OG-OG 3.16Å; S654-T656 PolarHBondContact O-N 2.9Å; S654-L657 PolarHBondContact O-N 3.19Å; S654-A658 VanDerWaalsContact O-CB 3.24Å; S654-A658 WeakPolarHBondContact O-CB 3.33Å; S654-A658 PolarHBondContact O-N 3.29Å
655	K	83.1	Confident	79.7	Confident	90 Å²	90	54.5 Å²	54.5	39%	0.391	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-46.1	176.5	-170.6	172.3	-175.8	171	0	112	L650 S651 R653 L657 A658 M659	L650-K655 HydrophobicContact CB-CB 4.35Å; S651-K655 PolarHBondContact O-N 3.05Å; R653-K655 VanDerWaalsContact C-N 3.3Å; R653-K655 PolarHBondContact O-N 3Å; K655-L657 PolarHBondContact O-N 3.29Å; K655-A658 PolarHBondContact O-N 2.91Å; K655-M659 HydrophobicContact CG-SD 4.09Å; K655-M659 WeakPolarHBondContact O-CB 3.37Å; K655-M659 VanDerWaalsContact O-CG 3.25Å; K655-M659 WeakPolarHBondContact O-CG 3.32Å; K655-M659 PolarHBondContact O-N 3.07Å
656	T	84.9	Confident	79.8	Confident	96 Å²	96	58.9 Å²	58.9	59%	0.589	32%	0.318	S	S	*	.	H	α-helix	trans	-61.4	-46	178.8	-56.6	0	0	0	0	111.2	P652 R653 S654 M659 A660	P652-T656 WeakPolarHBondContact O-CB 3.24Å; P652-T656 PolarHBondContact O-N 3.31Å; P652-T656 PolarHBondContact O-OG1 3.34Å; R653-T656 PolarHBondContact O-N 3.08Å; S654-T656 PolarHBondContact O-N 2.9Å; T656-M659 PolarHBondContact O-N 3.35Å; T656-A660 WeakPolarHBondContact O-CB 3.43Å; T656-A660 PolarHBondContact O-N 3.41Å
657	L	84.9	Confident	80.1	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-68.6	-38.2	179.2	-68.9	169.8	0	0	0	112.7	L426 P612 L615 L616 N619 R653 S654 K655 A660 A661	L426-L657 HydrophobicContact CD1-CD2 3.64Å; P612-L657 HydrophobicContact CB-CD1 4.13Å; P612-L657 VanDerWaalsContact O-CD1 3.23Å; P612-L657 WeakPolarHBondContact O-CD1 2.98Å; L615-L657 HydrophobicContact CB-CB 3.72Å; L615-L657 HydrophobicContact CB-CD1 4.4Å; L615-L657 HydrophobicContact CD1-CB 4.29Å; L616-L657 HydrophobicContact CB-CD1 4.39Å; N619-L657 PolarHBondContact ND2-O 3.14Å; R653-L657 HydrophobicContact CG-CD1 3.98Å; R653-L657 WeakPolarHBondContact O-CG 3.46Å; R653-L657 PolarHBondContact O-N 2.8Å; S654-L657 PolarHBondContact O-N 3.19Å; K655-L657 PolarHBondContact O-N 3.29Å; L657-A660 PolarHBondContact O-N 2.84Å; L657-A661 WeakPolarHBondContact O-CB 3.43Å; L657-A661 PolarHBondContact O-N 3.32Å
658	A	84.2	Confident	80.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-42.5	176	0	0	0	0	0	111.5	L615 L642 S654 K655 A661 H662	L615-A658 HydrophobicContact CD1-CB 4.01Å; L615-A658 HydrophobicContact CD2-CB 4.18Å; L642-A658 HydrophobicContact CD2-CB 4.32Å; S654-A658 VanDerWaalsContact O-CB 3.24Å; S654-A658 WeakPolarHBondContact O-CB 3.33Å; S654-A658 PolarHBondContact O-N 3.29Å; K655-A658 PolarHBondContact O-N 2.91Å; A658-A661 PolarHBondContact O-N 3Å; A658-H662 VanDerWaalsContact O-CB 3.26Å; A658-H662 WeakPolarHBondContact O-CB 3.24Å; A658-H662 PolarHBondContact O-N 3.36Å
659	M	84.1	Confident	80.2	Confident	86 Å²	86	54.8 Å²	54.8	42%	0.424	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-43.7	174.6	-72.3	176.5	65.5	0	0	111.7	K655 T656 H662 Q663	K655-M659 HydrophobicContact CG-SD 4.09Å; K655-M659 WeakPolarHBondContact O-CB 3.37Å; K655-M659 VanDerWaalsContact O-CG 3.25Å; K655-M659 WeakPolarHBondContact O-CG 3.32Å; K655-M659 PolarHBondContact O-N 3.07Å; T656-M659 PolarHBondContact O-N 3.35Å; M659-H662 PolarHBondContact O-N 3.31Å; M659-Q663 WeakPolarHBondContact O-CB 3.47Å; M659-Q663 VanDerWaalsContact O-CG 3.32Å; M659-Q663 WeakPolarHBondContact O-CG 3.45Å; M659-Q663 PolarHBondContact O-N 3.48Å
660	A	84.7	Confident	80	Confident	28 Å²	28	52.2 Å²	52.2	23%	0.231	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-47.5	176.4	0	0	0	0	0	111.6	T656 L657 H662 Q663 Q664	T656-A660 WeakPolarHBondContact O-CB 3.43Å; T656-A660 PolarHBondContact O-N 3.41Å; L657-A660 PolarHBondContact O-N 2.84Å; A660-H662 PolarHBondContact O-N 3Å; A660-Q663 PolarHBondContact O-N 3.23Å; A660-Q664 WeakPolarHBondContact O-CB 3.45Å; A660-Q664 VanDerWaalsContact O-CG 3.3Å; A660-Q664 WeakPolarHBondContact O-CG 3.47Å; A660-Q664 PolarHBondContact O-N 3.45Å
661	A	83.5	Confident	79.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-45	178.6	0	0	0	0	0	111	L618 N619 L642 L657 A658 Q663 Q664 I665	L618-A661 HydrophobicContact CD2-CB 4.15Å; N619-A661 WeakPolarHBondContact OD1-CA 3.38Å; N619-A661 PolarHBondContact OD1-N 2.92Å; L642-A661 HydrophobicContact CD1-CB 3.86Å; L642-A661 HydrophobicContact CD2-CB 4.42Å; L657-A661 WeakPolarHBondContact O-CB 3.43Å; L657-A661 PolarHBondContact O-N 3.32Å; A658-A661 PolarHBondContact O-N 3Å; A661-Q663 PolarHBondContact O-N 2.95Å; A661-Q664 PolarHBondContact O-N 3.04Å; A661-I665 WeakPolarHBondContact O-CB 3.39Å; A661-I665 VanDerWaalsContact O-CG1 3.28Å; A661-I665 WeakPolarHBondContact O-CG1 3.33Å; A661-I665 PolarHBondContact O-N 3.12Å
662	H	83.5	Confident	77.9	Confident	44 Å²	44	54.2 Å²	54.2	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-42.2	178.8	-170.3	80.9	0	0	0	111.9	M639 L642 A658 M659 A660 K666	M639-H662 WeakPolarHBondContact CE-CE1 3.33Å; L642-H662 HydrophobicContact CB-CB 4.34Å; L642-H662 HydrophobicContact CD1-CB 4.32Å; A658-H662 VanDerWaalsContact O-CB 3.26Å; A658-H662 WeakPolarHBondContact O-CB 3.24Å; A658-H662 PolarHBondContact O-N 3.36Å; M659-H662 PolarHBondContact O-N 3.31Å; A660-H662 PolarHBondContact O-N 3Å; H662-K666 WeakPolarHBondContact O-CB 3.22Å; H662-K666 PolarHBondContact O-N 2.96Å
663	Q	83.1	Confident	76.5	Confident	131 Å²	131	55.2 Å²	55.2	61%	0.612	30%	0.298	S	S	*	.	H	α-helix	trans	-66.1	-42.6	175.9	-74.7	177.9	-10.5	0	0	112.4	M659 A660 A661 K666 S667	M659-Q663 WeakPolarHBondContact O-CB 3.47Å; M659-Q663 VanDerWaalsContact O-CG 3.32Å; M659-Q663 WeakPolarHBondContact O-CG 3.45Å; M659-Q663 PolarHBondContact O-N 3.48Å; A660-Q663 PolarHBondContact O-N 3.23Å; A661-Q663 PolarHBondContact O-N 2.95Å; Q663-K666 PolarHBondContact O-N 3.22Å; Q663-S667 PolarHBondContact O-N 3.18Å
664	Q	80.3	Confident	74.8	Confident	49 Å²	49	62.4 Å²	62.4	23%	0.229	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-52	178.6	-75.3	177.3	1.1	0	0	111.2	N619 C622 A660 A661 K666 S667 V668	N619-Q664 PolarHBondContact O-OE1 3.05Å; N619-Q664 PolarHBondContact OD1-OE1 3.43Å; C622-Q664 HydrophobicContact CB-CB 4.29Å; A660-Q664 WeakPolarHBondContact O-CB 3.45Å; A660-Q664 VanDerWaalsContact O-CG 3.3Å; A660-Q664 WeakPolarHBondContact O-CG 3.47Å; A660-Q664 PolarHBondContact O-N 3.45Å; A661-Q664 PolarHBondContact O-N 3.04Å; Q664-K666 VanDerWaalsContact C-N 3.33Å; Q664-K666 PolarHBondContact O-N 2.98Å; Q664-S667 PolarHBondContact O-N 3.26Å; Q664-S667 VanDerWaalsContact O-N 3.11Å; Q664-S667 PolarHBondContact O-OG 3.46Å; Q664-V668 WeakPolarHBondContact O-CG2 3.42Å; Q664-V668 PolarHBondContact O-N 3.45Å
665	I	78.7	Confident	73	Confident	4 Å²	4	71 Å²	71	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-42.1	179.5	-62.4	165.2	0	0	0	110.4	L618 C622 I635 T638 M639 L642 A661 S667 V668 V669	L618-I665 HydrophobicContact CD2-CD1 4.48Å; C622-I665 WeakPolarHBondContact SG-CG1 3.21Å; I635-I665 HydrophobicContact CG2-CG2 3.45Å; I635-I665 VanDerWaalsContact CG2-CG2 3.45Å; T638-I665 HydrophobicContact CG2-CD1 3.65Å; M639-I665 HydrophobicContact CG-CB 4.22Å; M639-I665 HydrophobicContact CG-CG2 3.41Å; M639-I665 VanDerWaalsContact CG-CG2 3.41Å; M639-I665 HydrophobicContact SD-CB 3.66Å; M639-I665 HydrophobicContact SD-CG2 3.53Å; M639-I665 VanDerWaalsContact SD-CG2 3.53Å; L642-I665 HydrophobicContact CD1-CD1 3.71Å; A661-I665 WeakPolarHBondContact O-CB 3.39Å; A661-I665 VanDerWaalsContact O-CG1 3.28Å; A661-I665 WeakPolarHBondContact O-CG1 3.33Å; A661-I665 PolarHBondContact O-N 3.12Å; I665-S667 VanDerWaalsContact C-N 3.3Å; I665-S667 PolarHBondContact O-N 3.35Å; I665-V668 PolarHBondContact O-N 3.02Å; I665-V668 VanDerWaalsContact O-N 3.14Å; I665-V669 HydrophobicContact CG2-CG2 3.98Å; I665-V669 WeakPolarHBondContact O-CG2 3.19Å; I665-V669 PolarHBondContact O-N 2.93Å
666	K	80.1	Confident	70.7	Confident	117 Å²	117	80 Å²	80	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-58.2	-41.4	174.7	-172.6	174.1	-178.4	174.8	0	112.3	M639 H662 Q663 Q664 V668 C670	M639-K666 HydrophobicContact CE-CB 3.88Å; M639-K666 HydrophobicContact CE-CG 4.4Å; H662-K666 WeakPolarHBondContact O-CB 3.22Å; H662-K666 PolarHBondContact O-N 2.96Å; Q663-K666 PolarHBondContact O-N 3.22Å; Q664-K666 VanDerWaalsContact C-N 3.33Å; Q664-K666 PolarHBondContact O-N 2.98Å; K666-V668 VanDerWaalsContact C-N 3.32Å; K666-V668 PolarHBondContact O-N 3.48Å; K666-C670 VanDerWaalsContact O-CB 3.24Å; K666-C670 WeakPolarHBondContact O-CB 3.47Å; K666-C670 PolarHBondContact O-N 3.19Å; K666-C670 PolarHBondContact O-SG 3.04Å
667	S	77.8	Confident	70	Confident	74 Å²	74	79.2 Å²	79.2	52%	0.517	39%	0.386	S	S	.	.	H	α-helix	trans	-66.4	-35.9	177.9	74.4	0	0	0	0	112.4	Q663 Q664 I665 S671	Q663-S667 PolarHBondContact O-N 3.18Å; Q664-S667 PolarHBondContact O-N 3.26Å; Q664-S667 VanDerWaalsContact O-N 3.11Å; Q664-S667 PolarHBondContact O-OG 3.46Å; I665-S667 VanDerWaalsContact C-N 3.3Å; I665-S667 PolarHBondContact O-N 3.35Å; S667-S671 WeakPolarHBondContact O-CB 3.38Å; S667-S671 PolarHBondContact O-N 3.25Å; S667-S671 VanDerWaalsContact O-N 3.11Å; S667-S671 PolarHBondContact O-OG 2.94Å
668	V	71.7	Confident	69.2	Low	28 Å²	28	82.6 Å²	82.6	17%	0.17	40%	0.403	C	S	.	.	H	α-helix	trans	-69.8	-47.6	176.2	168.6	0	0	0	0	111.7	I627 A628 Q664 I665 K666 S671 S672	I627-V668 HydrophobicContact CB-CG1 4.5Å; I627-V668 HydrophobicContact CG2-CG1 4.03Å; A628-V668 VanDerWaalsContact CA-CG1 3.41Å; A628-V668 HydrophobicContact CB-CG1 3.57Å; Q664-V668 WeakPolarHBondContact O-CG2 3.42Å; Q664-V668 PolarHBondContact O-N 3.45Å; I665-V668 PolarHBondContact O-N 3.02Å; I665-V668 VanDerWaalsContact O-N 3.14Å; K666-V668 VanDerWaalsContact C-N 3.32Å; K666-V668 PolarHBondContact O-N 3.48Å; V668-S671 PolarHBondContact O-N 2.96Å; V668-S671 PolarHBondContact O-OG 3.43Å; V668-S672 PolarHBondContact O-N 3.31Å; V668-S672 PolarHBondContact O-OG 3.27Å
669	V	69.8	Low	68.4	Low	42 Å²	42	87.2 Å²	87.2	26%	0.255	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-49.2	179.3	175.4	0	0	0	0	110.5	I635 I665 S671 S672 D673	I635-V669 HydrophobicContact CG2-CG2 4.44Å; I665-V669 HydrophobicContact CG2-CG2 3.98Å; I665-V669 WeakPolarHBondContact O-CG2 3.19Å; I665-V669 PolarHBondContact O-N 2.93Å; V669-S671 VanDerWaalsContact C-N 3.3Å; V669-S671 PolarHBondContact O-N 2.98Å; V669-S672 WeakPolarHBondContact O-CB 3.46Å; V669-S672 PolarHBondContact O-N 3.25Å; V669-D673 PolarHBondContact O-N 3.32Å
670	C	65.9	Low	67.4	Low	59 Å²	59	87.2 Å²	87.2	40%	0.399	43%	0.425	S	S	.	.	H	α-helix	trans	-69.8	-22	-178.9	-65.7	0	0	0	0	114.4	K666	K666-C670 VanDerWaalsContact O-CB 3.24Å; K666-C670 WeakPolarHBondContact O-CB 3.47Å; K666-C670 PolarHBondContact O-N 3.19Å; K666-C670 PolarHBondContact O-SG 3.04Å
671	S	60	Low	66.4	Low	61 Å²	61	90.9 Å²	90.9	43%	0.427	44%	0.438	S	S	.	.	H	α-helix	trans	-79.3	-24.6	174.2	57.5	0	0	0	0	112.7	S667 V668 V669 R674	S667-S671 WeakPolarHBondContact O-CB 3.38Å; S667-S671 PolarHBondContact O-N 3.25Å; S667-S671 VanDerWaalsContact O-N 3.11Å; S667-S671 PolarHBondContact O-OG 2.94Å; V668-S671 PolarHBondContact O-N 2.96Å; V668-S671 PolarHBondContact O-OG 3.43Å; V669-S671 VanDerWaalsContact C-N 3.3Å; V669-S671 PolarHBondContact O-N 2.98Å; S671-R674 PolarHBondContact O-N 3.49Å
672	S	52.4	Low	65.2	Low	38 Å²	38	97 Å²	97	27%	0.266	47%	0.467	S	S	.	.	H	α-helix	trans	-71.4	-38.4	175.9	-53.5	0	0	0	0	111.4	A628 V668 V669 R674 K675	A628-S672 PolarHBondContact O-OG 2.99Å; V668-S672 PolarHBondContact O-N 3.31Å; V668-S672 PolarHBondContact O-OG 3.27Å; V669-S672 WeakPolarHBondContact O-CB 3.46Å; V669-S672 PolarHBondContact O-N 3.25Å; S672-R674 PolarHBondContact O-N 2.81Å; S672-K675 PolarHBondContact O-N 3.25Å
673	D	50.5	Low	63.9	Low	127 Å²	127	100.8 Å²	100.8	68%	0.679	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.8	176	-73.2	-24.1	0	0	0	114.1	V669	V669-D673 PolarHBondContact O-N 3.32Å
674	R	45.3	Very low	62.4	Low	221 Å²	221	98.5 Å²	98.5	83%	0.834	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-2	178.1	-70.1	-174.3	-174.3	-175.6	1.9	114.2	S671 S672	S671-R674 PolarHBondContact O-N 3.49Å; S672-R674 PolarHBondContact O-N 2.81Å
675	K	44	Very low	60.9	Low	181 Å²	181	102.6 Å²	102.6	79%	0.787	50%	0.496	S	S	*	.			trans	-104.5	7.6	-178.7	-84.4	-174.1	176.3	178.2	0	114.3	S672	S672-K675 PolarHBondContact O-N 3.25Å
676	Y	35	Very low	59.3	Low	279 Å²	279	111.5 Å²	111.5	100%	1.094	54%	0.54	S	S	*	.			trans	-116.5	0	171.7	-76.5	-76.2	0	0	0	112.2

Retrieved 676 of 676 residues in 1304.2 ms (Link to these results)

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