A0A087Y8Z3_POEFO Loading...

Methyl-CpG-binding domain protein 4

Mismatch-specific DNA N-glycosylase involved in DNA repair. Has thymine glycosylase activity and is specific for G:T mismatches within methylated and unmethylated CpG sites. Can also remove uracil or 5-fluorouracil in G:U mismatches. Has no lyase activity. Was first identified as methyl-CpG-binding protein.

AlphaFold DB , UniProt , Accession A0A087Y8Z3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 453 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	38.6	Very low	48.9	Very low	238 Å²	238	137.5 Å²	137.5	100%	1.172	72%	0.721	S	S	*	*				0	113.7	0	-68.3	170.8	-172	0	0	105.8
2	E	34.4	Very low	50.9	Low	190 Å²	190	141.9 Å²	141.9	89%	0.888	73%	0.734	S	S	*	*			cis	-137	171.4	-1.8	-67.4	-179.8	123.1	0	0	109.9
3	V	34.5	Very low	53.3	Low	136 Å²	136	134.8 Å²	134.8	82%	0.824	72%	0.717	S	S	*	*			trans	-112	106.9	-176.2	178.8	0	0	0	0	109.4	S5	V3-S5 PolarHBondContact O-N 3.46Å
4	E	38.7	Very low	55.6	Low	205 Å²	205	126.9 Å²	126.9	96%	0.958	67%	0.672	S	S	*	*			trans	-75.8	105.7	170.1	-71.8	-165.6	125.4	0	0	110.5
5	S	37.7	Very low	57.9	Low	95 Å²	95	124.1 Å²	124.1	66%	0.664	66%	0.661	S	S	*	*			trans	-143	99.1	170.2	179.3	0	0	0	0	110	V3	V3-S5 PolarHBondContact O-N 3.46Å
6	N	36.3	Very low	59.9	Low	145 Å²	145	121.9 Å²	121.9	78%	0.775	64%	0.641	S	S	*	*			trans	-147.4	73.8	167.7	-98.3	-31.2	0	0	0	111.3
7	K	46.2	Very low	61.8	Low	202 Å²	202	117.8 Å²	117.8	88%	0.878	62%	0.618	S	S	*	*			trans	-119.5	82	155.6	-77.5	-176.9	178.4	174.8	0	107.3	A9	K7-A9 PolarHBondContact O-N 3.36Å
8	E	50.4	Low	63.4	Low	148 Å²	148	115.4 Å²	115.4	69%	0.692	61%	0.609	S	S	*	*			trans	-65	99	-177.8	-68.7	-173.8	147.6	0	0	110.9	L64	E8-L64 HydrophobicContact CB-CD1 3.81Å; E8-L64 HydrophobicContact CG-CD1 4.17Å
9	A	66.4	Low	64.8	Low	81 Å²	81	117.4 Å²	117.4	67%	0.669	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-70.3	149.4	162.4	0	0	0	0	0	109.4	K7	K7-A9 PolarHBondContact O-N 3.36Å
10	L	75.6	Confident	66.2	Low	50 Å²	50	117.2 Å²	117.2	26%	0.262	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-60.6	149.3	172.2	-72.8	155.5	0	0	0	110.3	W14 R16 I34 F65	L10-W14 HydrophobicContact CB-CB 4.16Å; L10-R16 HydrophobicContact CD1-CB 3.59Å; L10-I34 HydrophobicContact CD2-CD1 4.31Å; L10-F65 HydrophobicContact CD2-CD1 3.61Å; L10-F65 HydrophobicContact CD2-CE1 3.93Å
11	P	79.1	Confident	67.2	Low	23 Å²	23	115.7 Å²	115.7	15%	0.149	59%	0.59	C	S	.	*	S	Bend	trans	-53.1	147.2	177.9	-26.6	35	0	0	0	112	G13 W14 L60 L64 F65	P11-G13 PolarHBondContact O-N 3.02Å; P11-W14 HydrophobicContact CB-CG 4.49Å; P11-W14 VanDerWaalsContact O-CB 3.31Å; P11-W14 WeakPolarHBondContact O-CB 3.4Å; P11-W14 PolarHBondContact O-N 3.15Å; P11-L60 HydrophobicContact CB-CD2 3.79Å; P11-L60 HydrophobicContact CG-CD2 3.78Å; P11-L64 HydrophobicContact CG-CD2 3.56Å; P11-L64 HydrophobicContact CG-CG 4.32Å; P11-F65 HydrophobicContact CG-CE1 4.5Å; P11-F65 HydrophobicContact CG-CZ 3.94Å
12	H	73.7	Confident	69.7	Low	190 Å²	190	114.2 Å²	114.2	88%	0.88	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.9	126.1	-173.3	-76.2	87.9	0	0	0	112.8
13	G	80.9	Confident	72.1	Confident	49 Å²	49	108.9 Å²	108.9	51%	0.505	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	83.7	-5.6	-177	0	0	0	0	0	116	P11 P37	P11-G13 PolarHBondContact O-N 3.02Å; G13-P37 WeakPolarHBondContact O-CA 3.38Å
14	W	86.6	Confident	74.7	Confident	25 Å²	25	105.4 Å²	105.4	10%	0.095	56%	0.557	C	S	.	*			trans	-88.8	135.5	172.7	-68.3	80.4	0	0	0	111.6	L10 P11 I34 I35 S36 F42 L48 Y51 L52 L60 F65	L10-W14 HydrophobicContact CB-CB 4.16Å; P11-W14 HydrophobicContact CB-CG 4.49Å; P11-W14 VanDerWaalsContact O-CB 3.31Å; P11-W14 WeakPolarHBondContact O-CB 3.4Å; P11-W14 PolarHBondContact O-N 3.15Å; W14-I34 HydrophobicContact CE3-CG2 3.63Å; W14-I34 HydrophobicContact CZ3-CG2 3.98Å; W14-I35 VanDerWaalsContact CA-O 3.32Å; W14-I35 WeakPolarHBondContact CA-O 3.31Å; W14-S36 VanDerWaalsContact CE3-CA 3.48Å; W14-F42 HydrophobicContact CH2-CE2 4.25Å; W14-F42 HydrophobicContact CZ3-CD2 4.06Å; W14-F42 AromaticContact CZ3-CE2 3.88Å; W14-F42 HydrophobicContact CZ3-CE2 3.88Å; W14-L48 HydrophobicContact CE3-CD1 4.42Å; W14-L48 HydrophobicContact CH2-CD1 3.46Å; W14-L48 VanDerWaalsContact CH2-CD1 3.46Å; W14-L48 HydrophobicContact CZ3-CD1 3.35Å; W14-Y51 HydrophobicContact CH2-CD1 4.17Å; W14-Y51 AromaticContact CH2-CE1 3.86Å; W14-Y51 HydrophobicContact CH2-CE1 3.86Å; W14-Y51 HydrophobicContact CZ2-CE1 4.39Å; W14-L52 HydrophobicContact CH2-CD2 4.05Å; W14-L52 HydrophobicContact CZ2-CD2 3.86Å; W14-L60 HydrophobicContact CZ2-CD1 4.06Å; W14-F65 HydrophobicContact CB-CE1 4.1Å; W14-F65 AromaticContact CD2-CE1 3.64Å; W14-F65 HydrophobicContact CD2-CE1 3.64Å; W14-F65 AromaticContact CD2-CZ 3.85Å; W14-F65 HydrophobicContact CD2-CZ 3.85Å; W14-F65 AromaticContact CE3-CE1 3.65Å; W14-F65 HydrophobicContact CE3-CE1 3.65Å; W14-F65 HydrophobicContact CE3-CZ 4.13Å; W14-F65 AromaticContact CG-CE1 3.87Å; W14-F65 HydrophobicContact CG-CE1 3.87Å; W14-F65 HydrophobicContact CG-CZ 4.15Å; W14-F65 HydrophobicContact CZ3-CE1 4.35Å
15	V	89.5	Confident	76.8	Confident	84 Å²	84	106.2 Å²	106.2	51%	0.509	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.6	139.6	-173.8	-178.2	0	0	0	0	111.1	I34 I35	V15-I34 CarbonylContact O-C 3.53Å; V15-I34 WeakPolarHBondContact O-CA 3.4Å; V15-I35 HydrophobicContact CB-CB 4.35Å; V15-I35 PolarHBondContact N-O 3.15Å; V15-I35 PolarHBondContact O-N 3.08Å
16	R	90.6	Very high	79.1	Confident	90 Å²	90	104.2 Å²	104.2	34%	0.34	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.9	173.1	176.9	177.4	-177.9	169.3	4.9	110.5	L10 V18 V32 Y33 I34 D66 T68	L10-R16 HydrophobicContact CD1-CB 3.59Å; R16-V18 HydrophobicContact CG-CG2 4.31Å; R16-V32 HydrophobicContact CG-CG1 3.89Å; R16-Y33 CarbonylContact C-O 3.54Å; R16-Y33 WeakPolarHBondContact CA-O 3.49Å; R16-I34 HydrophobicContact CB-CD1 3.9Å; R16-I34 HydrophobicContact CG-CD1 4.07Å; R16-D66 IonicContact CZ-OD2 2.79Å; R16-D66 IonicContact NH1-OD2 2.69Å; R16-D66 PolarHBondContact NH1-OD2 2.86Å; R16-D66 IonicContact NH2-OD2 3.25Å; R16-D66 PolarHBondContact NH2-OD2 3.11Å; R16-T68 PolarHBondContact NH2-O 3.32Å
17	E	90.8	Very high	81.5	Confident	52 Å²	52	99.9 Å²	99.9	24%	0.243	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.2	173.5	-175.7	-171	135	0	0	109.4	Y33 I35 R41	E17-Y33 PolarHBondContact N-O 2.96Å; E17-Y33 PolarHBondContact O-N 3.4Å; E17-I35 HydrophobicContact CB-CD1 3.98Å; E17-R41 IonicContact OE1-NH1 2.74Å; E17-R41 PolarHBondContact OE1-NH1 3.15Å; E17-R41 IonicContact OE2-CZ 2.76Å; E17-R41 IonicContact OE2-NH1 2.74Å; E17-R41 PolarHBondContact OE2-NH1 2.74Å; E17-R41 IonicContact OE2-NH2 2.9Å; E17-R41 PolarHBondContact OE2-NH2 3.43Å
18	V	91.6	Very high	83.3	Confident	75 Å²	75	92.3 Å²	92.3	46%	0.455	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.6	174.1	-175.1	0	0	0	0	109	R16 L30 D31 V32	R16-V18 HydrophobicContact CG-CG2 4.31Å; V18-L30 HydrophobicContact CG1-CB 4.02Å; V18-L30 HydrophobicContact CG1-CD1 4.1Å; V18-L30 HydrophobicContact CG1-CD2 4.3Å; V18-L30 HydrophobicContact CG1-CG 4.36Å; V18-D31 WeakPolarHBondContact CA-O 3.43Å; V18-V32 HydrophobicContact CG1-CG2 4.48Å; V18-V32 HydrophobicContact CG2-CG1 4.48Å; V18-V32 HydrophobicContact CG2-CG2 4.31Å
19	R	89.3	Confident	85.1	Confident	152 Å²	152	91.5 Å²	91.5	57%	0.574	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.9	-171.1	-169.7	174.1	-180	-175.7	1.9	111.5	D31 Y33	R19-D31 PolarHBondContact N-O 3.05Å; R19-D31 PolarHBondContact O-N 3.47Å; R19-Y33 HydrophobicContact CB-CD2 4.44Å; R19-Y33 HydrophobicContact CB-CE2 4.15Å
20	Q	92.8	Very high	86.3	Confident	113 Å²	113	91.6 Å²	91.6	53%	0.528	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.8	176.8	-163.6	175.2	42.8	0	0	112.1	K22 G28 K29 L30	Q20-K22 PolarHBondContact O-N 3.12Å; Q20-G28 PolarHBondContact NE2-O 2.99Å; Q20-K29 WeakPolarHBondContact CA-O 3.35Å; Q20-L30 HydrophobicContact CB-CD2 3.8Å; Q20-L30 HydrophobicContact CG-CD2 3.97Å
21	R	88.6	Confident	86.9	Confident	86 Å²	86	91 Å²	91	33%	0.325	49%	0.485	S	S	.	.			trans	-69.9	118.4	174.1	-63.2	-177.8	-173.2	-177.8	4.1	110.3	T26 A27 G28 K29 D31	R21-T26 WeakPolarHBondContact CD-O 3.36Å; R21-T26 WeakPolarHBondContact CD-OG1 3.24Å; R21-T26 PolarHBondContact NH1-OG1 2.81Å; R21-A27 CarbonylContact O-C 3.55Å; R21-A27 WeakPolarHBondContact O-CA 3.48Å; R21-G28 PolarHBondContact O-N 3.45Å; R21-K29 PolarHBondContact N-O 3.41Å; R21-D31 VanDerWaalsContact CG-OD2 3.3Å; R21-D31 WeakPolarHBondContact CG-OD2 3.31Å; R21-D31 IonicContact CZ-OD1 3.45Å; R21-D31 IonicContact CZ-OD2 2.72Å; R21-D31 IonicContact NE-OD1 3.5Å; R21-D31 PolarHBondContact NE-OD1 2.98Å; R21-D31 IonicContact NE-OD2 3.17Å; R21-D31 PolarHBondContact NE-OD2 2.89Å; R21-D31 IonicContact NH2-OD1 3.43Å; R21-D31 PolarHBondContact NH2-OD1 2.88Å; R21-D31 IonicContact NH2-OD2 3.36Å; R21-D31 PolarHBondContact NH2-OD2 3.11Å
22	K	90.4	Very high	87.5	Confident	208 Å²	208	90.5 Å²	90.5	90%	0.904	48%	0.481	S	S	*	.			trans	-84	-13.6	-178.1	-65.3	-168.4	175.6	-172	0	115.2	Q20	Q20-K22 PolarHBondContact O-N 3.12Å
23	A	84.8	Confident	88.4	Confident	78 Å²	78	84 Å²	84	65%	0.645	45%	0.45	S	S	*	.	S	Bend	trans	-150.5	167.1	-173.3	0	0	0	0	0	113.9
24	G	89.8	Confident	89	Confident	63 Å²	63	81.7 Å²	81.7	65%	0.649	43%	0.426	S	S	*	.	S	Bend	trans	80.1	-179	175.4	0	0	0	0	0	115.1	T26 A27	G24-T26 PolarHBondContact O-N 3.3Å; G24-A27 WeakPolarHBondContact O-CB 3.18Å; G24-A27 PolarHBondContact O-N 3.23Å
25	K	82.2	Confident	89.2	Confident	222 Å²	222	81.5 Å²	81.5	97%	0.965	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-1.7	-175.9	-61.5	-175.5	-179.3	-179.4	0	115.6
26	T	85.1	Confident	89.2	Confident	53 Å²	53	77.7 Å²	77.7	33%	0.325	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	21.4	176.8	57.3	0	0	0	0	112.9	R21 G24 K29	R21-T26 WeakPolarHBondContact CD-O 3.36Å; R21-T26 WeakPolarHBondContact CD-OG1 3.24Å; R21-T26 PolarHBondContact NH1-OG1 2.81Å; G24-T26 PolarHBondContact O-N 3.3Å; T26-K29 HydrophobicContact CG2-CD 4.47Å; T26-K29 WeakPolarHBondContact O-CB 3.45Å; T26-K29 PolarHBondContact O-N 2.96Å
27	A	87	Confident	89	Confident	54 Å²	54	77.4 Å²	77.4	45%	0.446	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	148.7	170.3	0	0	0	0	0	111.4	R21 G24 K29	R21-A27 CarbonylContact O-C 3.55Å; R21-A27 WeakPolarHBondContact O-CA 3.48Å; G24-A27 WeakPolarHBondContact O-CB 3.18Å; G24-A27 PolarHBondContact O-N 3.23Å; A27-K29 PolarHBondContact O-N 3.21Å
28	G	84.1	Confident	88.8	Confident	43 Å²	43	78.8 Å²	78.8	44%	0.443	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-18.4	-176.3	0	0	0	0	0	115.2	Q20 R21	Q20-G28 PolarHBondContact NE2-O 2.99Å; R21-G28 PolarHBondContact O-N 3.45Å
29	K	89.3	Confident	88.6	Confident	131 Å²	131	77.3 Å²	77.3	57%	0.57	43%	0.428	S	S	*	.			trans	-70.3	148.7	172	-65.2	-164.5	178.5	-172.1	0	111.5	Q20 R21 T26 A27	Q20-K29 WeakPolarHBondContact CA-O 3.35Å; R21-K29 PolarHBondContact N-O 3.41Å; T26-K29 HydrophobicContact CG2-CD 4.47Å; T26-K29 WeakPolarHBondContact O-CB 3.45Å; T26-K29 PolarHBondContact O-N 2.96Å; A27-K29 PolarHBondContact O-N 3.21Å
30	L	89.9	Confident	88.6	Confident	82 Å²	82	74.9 Å²	74.9	43%	0.429	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.5	175.5	-57.6	177.5	0	0	0	110.5	V18 Q20	V18-L30 HydrophobicContact CG1-CB 4.02Å; V18-L30 HydrophobicContact CG1-CD1 4.1Å; V18-L30 HydrophobicContact CG1-CD2 4.3Å; V18-L30 HydrophobicContact CG1-CG 4.36Å; Q20-L30 HydrophobicContact CB-CD2 3.8Å; Q20-L30 HydrophobicContact CG-CD2 3.97Å
31	D	89.2	Confident	88.6	Confident	37 Å²	37	76 Å²	76	20%	0.198	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141	164.1	-69.5	-58.3	0	0	0	109.3	V18 R19 R21 Y33	V18-D31 WeakPolarHBondContact CA-O 3.43Å; R19-D31 PolarHBondContact N-O 3.05Å; R19-D31 PolarHBondContact O-N 3.47Å; R21-D31 VanDerWaalsContact CG-OD2 3.3Å; R21-D31 WeakPolarHBondContact CG-OD2 3.31Å; R21-D31 IonicContact CZ-OD1 3.45Å; R21-D31 IonicContact CZ-OD2 2.72Å; R21-D31 IonicContact NE-OD1 3.5Å; R21-D31 PolarHBondContact NE-OD1 2.98Å; R21-D31 IonicContact NE-OD2 3.17Å; R21-D31 PolarHBondContact NE-OD2 2.89Å; R21-D31 IonicContact NH2-OD1 3.43Å; R21-D31 PolarHBondContact NH2-OD1 2.88Å; R21-D31 IonicContact NH2-OD2 3.36Å; R21-D31 PolarHBondContact NH2-OD2 3.11Å; D31-Y33 HydrophobicContact CB-CD2 4.48Å; D31-Y33 HydrophobicContact CB-CE2 3.69Å
32	V	92.4	Very high	88.8	Confident	13 Å²	13	71.9 Å²	71.9	8%	0.079	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.5	176.8	-175.9	0	0	0	0	108.9	R16 V18	R16-V32 HydrophobicContact CG-CG1 3.89Å; V18-V32 HydrophobicContact CG1-CG2 4.48Å; V18-V32 HydrophobicContact CG2-CG1 4.48Å; V18-V32 HydrophobicContact CG2-CG2 4.31Å
33	Y	92.6	Very high	88.7	Confident	55 Å²	55	70.8 Å²	70.8	22%	0.216	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.4	174.8	-61.6	-90.9	0	0	0	109.7	R16 E17 R19 D31 F42 R43	R16-Y33 CarbonylContact C-O 3.54Å; R16-Y33 WeakPolarHBondContact CA-O 3.49Å; E17-Y33 PolarHBondContact N-O 2.96Å; E17-Y33 PolarHBondContact O-N 3.4Å; R19-Y33 HydrophobicContact CB-CD2 4.44Å; R19-Y33 HydrophobicContact CB-CE2 4.15Å; D31-Y33 HydrophobicContact CB-CD2 4.48Å; D31-Y33 HydrophobicContact CB-CE2 3.69Å; Y33-F42 VanDerWaalsContact CA-O 3.29Å; Y33-F42 WeakPolarHBondContact CA-O 3.47Å; Y33-R43 HydrophobicContact CD1-CB 4.19Å; Y33-R43 HydrophobicContact CE1-CB 4.1Å
34	I	92.8	Very high	89	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.2	166.8	-63.7	-58.6	0	0	0	107.3	L10 W14 V15 R16 R41 F42 L48 F65 F67	L10-I34 HydrophobicContact CD2-CD1 4.31Å; W14-I34 HydrophobicContact CE3-CG2 3.63Å; W14-I34 HydrophobicContact CZ3-CG2 3.98Å; V15-I34 CarbonylContact O-C 3.53Å; V15-I34 WeakPolarHBondContact O-CA 3.4Å; R16-I34 HydrophobicContact CB-CD1 3.9Å; R16-I34 HydrophobicContact CG-CD1 4.07Å; I34-R41 CarbonylContact O-C 3.54Å; I34-F42 PolarHBondContact N-O 2.85Å; I34-F42 WeakPolarHBondContact O-CD2 3.3Å; I34-F42 PolarHBondContact O-N 2.88Å; I34-L48 HydrophobicContact CG2-CD2 4.24Å; I34-F65 HydrophobicContact CG1-CD1 4.47Å; I34-F65 HydrophobicContact CG2-CD1 3.65Å; I34-F65 HydrophobicContact CG2-CE1 4Å; I34-F67 HydrophobicContact CB-CE1 3.99Å; I34-F67 HydrophobicContact CB-CZ 3.84Å; I34-F67 HydrophobicContact CG1-CD1 4.14Å; I34-F67 HydrophobicContact CG1-CD2 4.46Å; I34-F67 HydrophobicContact CG1-CE1 3.59Å; I34-F67 HydrophobicContact CG1-CE2 3.95Å; I34-F67 HydrophobicContact CG1-CZ 3.48Å; I34-F67 VanDerWaalsContact CG1-CZ 3.48Å
35	I	91.2	Very high	89	Confident	20 Å²	20	69.9 Å²	69.9	10%	0.103	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.5	-176.4	-46.2	-175	0	0	0	108.5	W14 V15 E17 Q40 R41	W14-I35 VanDerWaalsContact CA-O 3.32Å; W14-I35 WeakPolarHBondContact CA-O 3.31Å; V15-I35 HydrophobicContact CB-CB 4.35Å; V15-I35 PolarHBondContact N-O 3.15Å; V15-I35 PolarHBondContact O-N 3.08Å; E17-I35 HydrophobicContact CB-CD1 3.98Å; I35-Q40 CarbonylContact C-O 3.46Å; I35-Q40 VanDerWaalsContact CA-O 3.31Å; I35-Q40 WeakPolarHBondContact CA-O 3.48Å; I35-R41 HydrophobicContact CD1-CG 4.24Å; I35-R41 HydrophobicContact CG1-CG 4.08Å; I35-R41 HydrophobicContact CG2-CG 4.2Å
36	S	89.2	Confident	89.3	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.028	35%	0.345	C	S	.	.			trans	-74	164	175.9	58.6	0	0	0	0	112.6	W14 S38 G39 Q40	W14-S36 VanDerWaalsContact CE3-CA 3.48Å; S36-S38 PolarHBondContact O-N 3.34Å; S36-S38 VanDerWaalsContact O-N 3.11Å; S36-S38 PolarHBondContact OG-OG 2.88Å; S36-G39 PolarHBondContact O-N 3.24Å; S36-Q40 PolarHBondContact N-O 3.33Å; S36-Q40 WeakPolarHBondContact OG-CB 3.48Å; S36-Q40 PolarHBondContact OG-N 2.88Å; S36-Q40 PolarHBondContact OG-O 2.93Å
37	P	86.3	Confident	89.5	Confident	85 Å²	85	62.6 Å²	62.6	55%	0.552	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.3	168.2	-24.1	31.3	0	0	0	113.6	G13 G39	G13-P37 WeakPolarHBondContact O-CA 3.38Å; P37-G39 VanDerWaalsContact C-N 3.3Å
38	S	86.7	Confident	89.7	Confident	81 Å²	81	60 Å²	60	57%	0.566	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	5.3	173.7	55.7	0	0	0	0	114.5	S36 Q40 Y51	S36-S38 PolarHBondContact O-N 3.34Å; S36-S38 VanDerWaalsContact O-N 3.11Å; S36-S38 PolarHBondContact OG-OG 2.88Å; S38-Q40 VanDerWaalsContact C-N 3.3Å; S38-Q40 PolarHBondContact O-N 3.14Å; S38-Y51 PolarHBondContact OG-OH 2.89Å
39	G	86.6	Confident	89.8	Confident	44 Å²	44	61.3 Å²	61.3	45%	0.454	32%	0.319	S	S	.	.			trans	78.8	0.1	178	0	0	0	0	0	115.9	S36 P37	S36-G39 PolarHBondContact O-N 3.24Å; P37-G39 VanDerWaalsContact C-N 3.3Å
40	Q	89.1	Confident	89.8	Confident	100 Å²	100	59.7 Å²	59.7	47%	0.467	32%	0.316	S	S	.	.			trans	-73.6	136.3	178.7	-172.2	171	-18	0	0	110.8	I35 S36 S38 F42 Y51	I35-Q40 CarbonylContact C-O 3.46Å; I35-Q40 VanDerWaalsContact CA-O 3.31Å; I35-Q40 WeakPolarHBondContact CA-O 3.48Å; S36-Q40 PolarHBondContact N-O 3.33Å; S36-Q40 WeakPolarHBondContact OG-CB 3.48Å; S36-Q40 PolarHBondContact OG-N 2.88Å; S36-Q40 PolarHBondContact OG-O 2.93Å; S38-Q40 VanDerWaalsContact C-N 3.3Å; S38-Q40 PolarHBondContact O-N 3.14Å; Q40-F42 HydrophobicContact CB-CE2 4.18Å; Q40-F42 HydrophobicContact CB-CZ 3.83Å; Q40-F42 HydrophobicContact CG-CE1 3.9Å; Q40-F42 HydrophobicContact CG-CE2 4.22Å; Q40-F42 HydrophobicContact CG-CZ 3.53Å; Q40-F42 WeakPolarHBondContact O-CE2 3.5Å; Q40-Y51 HydrophobicContact CB-CE2 4.43Å
41	R	92.6	Very high	89.7	Confident	136 Å²	136	57.7 Å²	57.7	51%	0.513	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.2	-171.5	-53.8	-175.2	174.8	-141.3	-10.6	112.1	E17 I34 I35	E17-R41 IonicContact OE1-NH1 2.74Å; E17-R41 PolarHBondContact OE1-NH1 3.15Å; E17-R41 IonicContact OE2-CZ 2.76Å; E17-R41 IonicContact OE2-NH1 2.74Å; E17-R41 PolarHBondContact OE2-NH1 2.74Å; E17-R41 IonicContact OE2-NH2 2.9Å; E17-R41 PolarHBondContact OE2-NH2 3.43Å; I34-R41 CarbonylContact O-C 3.54Å; I35-R41 HydrophobicContact CD1-CG 4.24Å; I35-R41 HydrophobicContact CG1-CG 4.08Å; I35-R41 HydrophobicContact CG2-CG 4.2Å
42	F	93.5	Very high	89.6	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.8	-179.1	-51.1	-75.3	0	0	0	110.5	W14 Y33 I34 Q40 S47 L48 Y51 F67	W14-F42 HydrophobicContact CH2-CE2 4.25Å; W14-F42 HydrophobicContact CZ3-CD2 4.06Å; W14-F42 AromaticContact CZ3-CE2 3.88Å; W14-F42 HydrophobicContact CZ3-CE2 3.88Å; Y33-F42 VanDerWaalsContact CA-O 3.29Å; Y33-F42 WeakPolarHBondContact CA-O 3.47Å; I34-F42 PolarHBondContact N-O 2.85Å; I34-F42 WeakPolarHBondContact O-CD2 3.3Å; I34-F42 PolarHBondContact O-N 2.88Å; Q40-F42 HydrophobicContact CB-CE2 4.18Å; Q40-F42 HydrophobicContact CB-CZ 3.83Å; Q40-F42 HydrophobicContact CG-CE1 3.9Å; Q40-F42 HydrophobicContact CG-CE2 4.22Å; Q40-F42 HydrophobicContact CG-CZ 3.53Å; Q40-F42 WeakPolarHBondContact O-CE2 3.5Å; F42-S47 WeakPolarHBondContact CD1-O 3.4Å; F42-L48 HydrophobicContact CB-CB 4.1Å; F42-L48 HydrophobicContact CD1-CB 4.5Å; F42-L48 HydrophobicContact CD2-CD1 3.78Å; F42-L48 HydrophobicContact CE2-CD1 4.12Å; F42-L48 HydrophobicContact CG-CB 4.13Å; F42-L48 HydrophobicContact CG-CD1 4.09Å; F42-Y51 VanDerWaalsContact CE1-CB 3.44Å; F42-Y51 HydrophobicContact CE1-CD1 4.14Å; F42-Y51 AromaticContact CE1-CD2 3.87Å; F42-Y51 HydrophobicContact CE1-CD2 3.87Å; F42-Y51 AromaticContact CE1-CG 3.55Å; F42-Y51 HydrophobicContact CE1-CG 3.55Å; F42-Y51 HydrophobicContact CE2-CD1 4.11Å; F42-Y51 HydrophobicContact CE2-CE1 4.36Å; F42-Y51 HydrophobicContact CE2-CG 4.29Å; F42-Y51 AromaticContact CZ-CD1 3.51Å; F42-Y51 HydrophobicContact CZ-CD1 3.51Å; F42-Y51 AromaticContact CZ-CD2 3.5Å; F42-Y51 HydrophobicContact CZ-CD2 3.5Å; F42-Y51 VanDerWaalsContact CZ-CD2 3.5Å; F42-Y51 AromaticContact CZ-CE1 3.97Å; F42-Y51 HydrophobicContact CZ-CE1 3.97Å; F42-Y51 AromaticContact CZ-CE2 3.93Å; F42-Y51 HydrophobicContact CZ-CE2 3.93Å; F42-Y51 AromaticContact CZ-CG 3.27Å; F42-Y51 HydrophobicContact CZ-CG 3.27Å; F42-F67 HydrophobicContact CB-CE1 4.47Å; F42-F67 HydrophobicContact CB-CZ 4.37Å
43	R	89.5	Confident	89.2	Confident	184 Å²	184	61.1 Å²	61.1	69%	0.694	32%	0.32	S	S	*	.	S	Bend	trans	-121.8	5.4	-174.3	66.2	-178.7	-63.3	-173.2	1.8	113.9	Y33	Y33-R43 HydrophobicContact CD1-CB 4.19Å; Y33-R43 HydrophobicContact CE1-CB 4.1Å
44	S	90.9	Very high	88.8	Confident	40 Å²	40	66.9 Å²	66.9	28%	0.28	35%	0.347	S	S	.	.	S	Bend	trans	-160.6	154	176.2	65.8	0	0	0	0	110	S46 S47 L48 F67	S44-S46 PolarHBondContact O-N 3.01Å; S44-S46 PolarHBondContact OG-OG 2.76Å; S44-S47 PolarHBondContact O-N 3.37Å; S44-S47 WeakPolarHBondContact OG-CB 3.23Å; S44-S47 PolarHBondContact OG-N 3.37Å; S44-L48 PolarHBondContact O-N 3.36Å; S44-F67 WeakPolarHBondContact O-CZ 3.48Å
45	K	88.4	Confident	88.1	Confident	83 Å²	83	71.5 Å²	71.5	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-34.7	176	-170	168.4	174.7	165.1	0	112.9	L48 H49 I62 N63 F67	K45-L48 PolarHBondContact O-N 2.85Å; K45-H49 WeakPolarHBondContact O-CB 3.37Å; K45-H49 PolarHBondContact O-N 3.16Å; K45-I62 HydrophobicContact CD-CG2 4.24Å; K45-I62 WeakPolarHBondContact CE-O 3.46Å; K45-I62 HydrophobicContact CG-CG2 3.62Å; K45-I62 PolarHBondContact NZ-O 2.67Å; K45-N63 PolarHBondContact NZ-OD1 2.91Å; K45-F67 HydrophobicContact CB-CD2 4.02Å; K45-F67 HydrophobicContact CB-CE2 4.05Å
46	S	88	Confident	86.9	Confident	73 Å²	73	73.5 Å²	73.5	51%	0.51	40%	0.396	S	S	.	.	H	α-helix	trans	-63.4	-51.7	173.8	51.6	0	0	0	0	112.9	S44 L48 H49 D50	S44-S46 PolarHBondContact O-N 3.01Å; S44-S46 PolarHBondContact OG-OG 2.76Å; S46-L48 PolarHBondContact O-N 2.81Å; S46-L48 VanDerWaalsContact O-N 3.14Å; S46-H49 WeakPolarHBondContact O-CB 3.42Å; S46-H49 PolarHBondContact O-N 3.18Å; S46-H49 VanDerWaalsContact O-N 3.09Å; S46-D50 PolarHBondContact O-N 3.35Å
47	S	91.3	Very high	85.6	Confident	49 Å²	49	74.1 Å²	74.1	34%	0.343	40%	0.404	S	S	.	.	H	α-helix	trans	-63.4	-24.2	-179	-179.1	0	0	0	0	113.1	F42 S44	F42-S47 WeakPolarHBondContact CD1-O 3.4Å; S44-S47 PolarHBondContact O-N 3.37Å; S44-S47 WeakPolarHBondContact OG-CB 3.23Å; S44-S47 PolarHBondContact OG-N 3.37Å
48	L	89.5	Confident	84.3	Confident	0 Å²	0	78 Å²	78	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-77.5	-48.1	171.9	174.1	60	0	0	0	111.6	W14 I34 F42 S44 K45 S46 D50 Y51 L52 F65 F67	W14-L48 HydrophobicContact CE3-CD1 4.42Å; W14-L48 HydrophobicContact CH2-CD1 3.46Å; W14-L48 VanDerWaalsContact CH2-CD1 3.46Å; W14-L48 HydrophobicContact CZ3-CD1 3.35Å; I34-L48 HydrophobicContact CG2-CD2 4.24Å; F42-L48 HydrophobicContact CB-CB 4.1Å; F42-L48 HydrophobicContact CD1-CB 4.5Å; F42-L48 HydrophobicContact CD2-CD1 3.78Å; F42-L48 HydrophobicContact CE2-CD1 4.12Å; F42-L48 HydrophobicContact CG-CB 4.13Å; F42-L48 HydrophobicContact CG-CD1 4.09Å; S44-L48 PolarHBondContact O-N 3.36Å; K45-L48 PolarHBondContact O-N 2.85Å; S46-L48 PolarHBondContact O-N 2.81Å; S46-L48 VanDerWaalsContact O-N 3.14Å; L48-D50 VanDerWaalsContact C-N 3.34Å; L48-D50 PolarHBondContact O-N 2.59Å; L48-Y51 WeakPolarHBondContact O-CB 3.44Å; L48-Y51 PolarHBondContact O-N 3.36Å; L48-Y51 VanDerWaalsContact O-N 3.14Å; L48-L52 HydrophobicContact CD1-CD1 4.29Å; L48-L52 HydrophobicContact CD1-CG 4.22Å; L48-L52 HydrophobicContact CG-CD1 4.16Å; L48-L52 WeakPolarHBondContact O-CG 3.46Å; L48-L52 PolarHBondContact O-N 2.91Å; L48-F65 HydrophobicContact CD2-CB 3.58Å; L48-F65 HydrophobicContact CD2-CD1 3.78Å; L48-F65 HydrophobicContact CD2-CD2 3.68Å; L48-F65 HydrophobicContact CD2-CE1 4.34Å; L48-F65 HydrophobicContact CD2-CE2 4.26Å; L48-F65 HydrophobicContact CD2-CG 3.39Å; L48-F67 HydrophobicContact CB-CZ 4.13Å; L48-F67 HydrophobicContact CD2-CE2 3.96Å; L48-F67 HydrophobicContact CD2-CZ 3.99Å
49	H	87.8	Confident	83.1	Confident	70 Å²	70	82 Å²	82	32%	0.324	43%	0.43	S	S	.	.	H	α-helix	trans	-54.1	-48.8	176.5	168.2	-97.7	0	0	0	112.2	K45 S46 Y51 L52 L53 I62	K45-H49 WeakPolarHBondContact O-CB 3.37Å; K45-H49 PolarHBondContact O-N 3.16Å; S46-H49 WeakPolarHBondContact O-CB 3.42Å; S46-H49 PolarHBondContact O-N 3.18Å; S46-H49 VanDerWaalsContact O-N 3.09Å; H49-Y51 PolarHBondContact O-N 3.07Å; H49-L52 PolarHBondContact O-N 2.88Å; H49-L52 VanDerWaalsContact O-N 3.09Å; H49-L53 WeakPolarHBondContact O-CB 3.43Å; H49-L53 PolarHBondContact O-N 3.33Å; H49-I62 HydrophobicContact CB-CD1 4.4Å; H49-I62 HydrophobicContact CB-CG2 4.25Å; H49-I62 VanDerWaalsContact CD2-CD1 3.43Å; H49-I62 WeakPolarHBondContact CD2-CD1 3.44Å
50	D	88.3	Confident	82.5	Confident	97 Å²	97	82.5 Å²	82.5	52%	0.519	42%	0.421	S	S	.	.	H	α-helix	trans	-65	-26.4	-177.8	-53.6	-21.1	0	0	0	112	S46 L48 K54	S46-D50 PolarHBondContact O-N 3.35Å; L48-D50 VanDerWaalsContact C-N 3.34Å; L48-D50 PolarHBondContact O-N 2.59Å; D50-K54 WeakPolarHBondContact O-CB 3.47Å; D50-K54 PolarHBondContact O-N 3.35Å
51	Y	87.8	Confident	81.8	Confident	40 Å²	40	82.1 Å²	82.1	16%	0.157	42%	0.423	C	S	.	.	H	α-helix	trans	-77.2	-41.3	172.1	166.3	-87.5	0	0	0	112.5	W14 S38 Q40 F42 L48 H49 K54 N55	W14-Y51 HydrophobicContact CH2-CD1 4.17Å; W14-Y51 AromaticContact CH2-CE1 3.86Å; W14-Y51 HydrophobicContact CH2-CE1 3.86Å; W14-Y51 HydrophobicContact CZ2-CE1 4.39Å; S38-Y51 PolarHBondContact OG-OH 2.89Å; Q40-Y51 HydrophobicContact CB-CE2 4.43Å; F42-Y51 VanDerWaalsContact CE1-CB 3.44Å; F42-Y51 HydrophobicContact CE1-CD1 4.14Å; F42-Y51 AromaticContact CE1-CD2 3.87Å; F42-Y51 HydrophobicContact CE1-CD2 3.87Å; F42-Y51 AromaticContact CE1-CG 3.55Å; F42-Y51 HydrophobicContact CE1-CG 3.55Å; F42-Y51 HydrophobicContact CE2-CD1 4.11Å; F42-Y51 HydrophobicContact CE2-CE1 4.36Å; F42-Y51 HydrophobicContact CE2-CG 4.29Å; F42-Y51 AromaticContact CZ-CD1 3.51Å; F42-Y51 HydrophobicContact CZ-CD1 3.51Å; F42-Y51 AromaticContact CZ-CD2 3.5Å; F42-Y51 HydrophobicContact CZ-CD2 3.5Å; F42-Y51 VanDerWaalsContact CZ-CD2 3.5Å; F42-Y51 AromaticContact CZ-CE1 3.97Å; F42-Y51 HydrophobicContact CZ-CE1 3.97Å; F42-Y51 AromaticContact CZ-CE2 3.93Å; F42-Y51 HydrophobicContact CZ-CE2 3.93Å; F42-Y51 AromaticContact CZ-CG 3.27Å; F42-Y51 HydrophobicContact CZ-CG 3.27Å; L48-Y51 WeakPolarHBondContact O-CB 3.44Å; L48-Y51 PolarHBondContact O-N 3.36Å; L48-Y51 VanDerWaalsContact O-N 3.14Å; H49-Y51 PolarHBondContact O-N 3.07Å; Y51-K54 PolarHBondContact O-N 3.27Å; Y51-N55 WeakPolarHBondContact CD2-ND2 3.44Å; Y51-N55 VanDerWaalsContact CE2-ND2 3.3Å; Y51-N55 WeakPolarHBondContact CE2-ND2 3.46Å; Y51-N55 PolarHBondContact O-N 2.78Å; Y51-N55 PolarHBondContact O-ND2 2.87Å
52	L	87.1	Confident	81.2	Confident	10 Å²	10	78 Å²	78	5%	0.052	41%	0.41	C	S	.	.	H	α-helix	trans	-62.1	-48.5	176.7	-69	172	0	0	0	110.2	W14 L48 H49 K54 N55 G56 G57 L60	W14-L52 HydrophobicContact CH2-CD2 4.05Å; W14-L52 HydrophobicContact CZ2-CD2 3.86Å; L48-L52 HydrophobicContact CD1-CD1 4.29Å; L48-L52 HydrophobicContact CD1-CG 4.22Å; L48-L52 HydrophobicContact CG-CD1 4.16Å; L48-L52 WeakPolarHBondContact O-CG 3.46Å; L48-L52 PolarHBondContact O-N 2.91Å; H49-L52 PolarHBondContact O-N 2.88Å; H49-L52 VanDerWaalsContact O-N 3.09Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3.33Å; L52-N55 PolarHBondContact O-N 3.31Å; L52-G56 PolarHBondContact O-N 2.97Å; L52-G57 PolarHBondContact O-N 3.06Å; L52-L60 HydrophobicContact CD1-CB 4.39Å; L52-L60 HydrophobicContact CD2-CB 4.36Å; L52-L60 HydrophobicContact CD2-CD1 3.75Å
53	L	83.8	Confident	80.4	Confident	111 Å²	111	83.1 Å²	83.1	58%	0.581	44%	0.438	S	S	*	.	H	α-helix	trans	-61	-34.2	178.6	-166.6	69.1	0	0	0	112.7	H49	H49-L53 WeakPolarHBondContact O-CB 3.43Å; H49-L53 PolarHBondContact O-N 3.33Å
54	K	84.1	Confident	80	Confident	177 Å²	177	77 Å²	77	77%	0.77	42%	0.418	S	S	*	.	H	α-helix	trans	-76.5	-24.8	178.8	-176.2	169.6	179.8	179.4	0	114.2	D50 Y51 L52	D50-K54 WeakPolarHBondContact O-CB 3.47Å; D50-K54 PolarHBondContact O-N 3.35Å; Y51-K54 PolarHBondContact O-N 3.27Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3.33Å
55	N	78.8	Confident	79.6	Confident	97 Å²	97	75.2 Å²	75.2	52%	0.519	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	22	-171.4	-59.8	-73.8	0	0	0	113.5	Y51 L52 G57	Y51-N55 WeakPolarHBondContact CD2-ND2 3.44Å; Y51-N55 VanDerWaalsContact CE2-ND2 3.3Å; Y51-N55 WeakPolarHBondContact CE2-ND2 3.46Å; Y51-N55 PolarHBondContact O-N 2.78Å; Y51-N55 PolarHBondContact O-ND2 2.87Å; L52-N55 PolarHBondContact O-N 3.31Å; N55-G57 VanDerWaalsContact C-N 3.31Å; N55-G57 PolarHBondContact O-N 3.48Å
56	G	65.3	Low	79.4	Confident	61 Å²	61	74 Å²	74	63%	0.629	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	22.4	177.7	0	0	0	0	0	114.7	L52 E58	L52-G56 PolarHBondContact O-N 2.97Å; G56-E58 PolarHBondContact O-N 3.14Å
57	G	63.4	Low	79.2	Confident	18 Å²	18	72.5 Å²	72.5	19%	0.186	39%	0.387	C	S	.	.			trans	-75.5	30.5	-179	0	0	0	0	0	114.8	L52 N55 N59 L60	L52-G57 PolarHBondContact O-N 3.06Å; N55-G57 VanDerWaalsContact C-N 3.31Å; N55-G57 PolarHBondContact O-N 3.48Å; G57-N59 PolarHBondContact O-N 2.95Å; G57-N59 VanDerWaalsContact O-N 3.12Å; G57-L60 PolarHBondContact O-N 2.93Å
58	E	58.7	Low	78.8	Confident	167 Å²	167	74 Å²	74	78%	0.78	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.1	-166.5	-59.1	-173.7	163.5	0	0	114.4	G56	G56-E58 PolarHBondContact O-N 3.14Å
59	N	61.2	Low	77.7	Confident	164 Å²	164	77.2 Å²	77.2	88%	0.877	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	0.8	179.1	-147.8	-101.1	0	0	0	113.9	G57	G57-N59 PolarHBondContact O-N 2.95Å; G57-N59 VanDerWaalsContact O-N 3.12Å
60	L	72.7	Confident	76.2	Confident	54 Å²	54	77.1 Å²	77.1	28%	0.283	43%	0.425	S	S	.	.	S	Bend	trans	-105.9	111.7	-176.4	-71.3	169.7	0	0	0	111.4	P11 W14 L52 G57 I62	P11-L60 HydrophobicContact CB-CD2 3.79Å; P11-L60 HydrophobicContact CG-CD2 3.78Å; W14-L60 HydrophobicContact CZ2-CD1 4.06Å; L52-L60 HydrophobicContact CD1-CB 4.39Å; L52-L60 HydrophobicContact CD2-CB 4.36Å; L52-L60 HydrophobicContact CD2-CD1 3.75Å; G57-L60 PolarHBondContact O-N 2.93Å; L60-I62 PolarHBondContact O-N 3.34Å
61	D	76.1	Confident	74.5	Confident	93 Å²	93	82.6 Å²	82.6	50%	0.497	44%	0.444	S	S	.	.			trans	-65.3	122.3	172.8	-172.6	1.9	0	0	0	110.8	N63 L64	D61-N63 VanDerWaalsContact CG-ND2 3.32Å; D61-N63 PolarHBondContact O-N 2.98Å; D61-N63 VanDerWaalsContact O-N 3.17Å; D61-N63 VanDerWaalsContact OD1-CG 3.3Å; D61-N63 PolarHBondContact OD1-N 3.08Å; D61-N63 PolarHBondContact OD1-ND2 3.04Å; D61-N63 WeakPolarHBondContact OD2-CB 3.31Å; D61-N63 PolarHBondContact OD2-ND2 3.3Å; D61-L64 WeakPolarHBondContact O-CB 3.24Å; D61-L64 PolarHBondContact O-N 3.29Å
62	I	79	Confident	72.1	Confident	48 Å²	48	85 Å²	85	25%	0.246	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-59.4	-21.9	174.9	-23	163.9	0	0	0	112	K45 H49 L60 L64	K45-I62 HydrophobicContact CD-CG2 4.24Å; K45-I62 WeakPolarHBondContact CE-O 3.46Å; K45-I62 HydrophobicContact CG-CG2 3.62Å; K45-I62 PolarHBondContact NZ-O 2.67Å; H49-I62 HydrophobicContact CB-CD1 4.4Å; H49-I62 HydrophobicContact CB-CG2 4.25Å; H49-I62 VanDerWaalsContact CD2-CD1 3.43Å; H49-I62 WeakPolarHBondContact CD2-CD1 3.44Å; L60-I62 PolarHBondContact O-N 3.34Å; I62-L64 VanDerWaalsContact C-N 3.34Å
63	N	77.6	Confident	70	Confident	110 Å²	110	94.3 Å²	94.3	59%	0.588	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-70.5	-27.5	179.1	-58	-46.2	0	0	0	113.8	K45 D61 F65	K45-N63 PolarHBondContact NZ-OD1 2.91Å; D61-N63 VanDerWaalsContact CG-ND2 3.32Å; D61-N63 PolarHBondContact O-N 2.98Å; D61-N63 VanDerWaalsContact O-N 3.17Å; D61-N63 VanDerWaalsContact OD1-CG 3.3Å; D61-N63 PolarHBondContact OD1-N 3.08Å; D61-N63 PolarHBondContact OD1-ND2 3.04Å; D61-N63 WeakPolarHBondContact OD2-CB 3.31Å; D61-N63 PolarHBondContact OD2-ND2 3.3Å; N63-F65 PolarHBondContact O-N 3.14Å; N63-F65 VanDerWaalsContact O-N 3.13Å
64	L	79.9	Confident	67.4	Low	54 Å²	54	97.7 Å²	97.7	28%	0.283	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-67.9	-8.5	177.7	-171.8	54.3	0	0	0	113.4	E8 P11 D61 I62	E8-L64 HydrophobicContact CB-CD1 3.81Å; E8-L64 HydrophobicContact CG-CD1 4.17Å; P11-L64 HydrophobicContact CG-CD2 3.56Å; P11-L64 HydrophobicContact CG-CG 4.32Å; D61-L64 WeakPolarHBondContact O-CB 3.24Å; D61-L64 PolarHBondContact O-N 3.29Å; I62-L64 VanDerWaalsContact C-N 3.34Å
65	F	82.4	Confident	64.9	Low	4 Å²	4	95.2 Å²	95.2	2%	0.018	51%	0.513	C	S	.	.			trans	-104.3	90.6	-177.9	-63.8	-82.4	0	0	0	112.4	L10 P11 W14 I34 L48 N63 F67	L10-F65 HydrophobicContact CD2-CD1 3.61Å; L10-F65 HydrophobicContact CD2-CE1 3.93Å; P11-F65 HydrophobicContact CG-CE1 4.5Å; P11-F65 HydrophobicContact CG-CZ 3.94Å; W14-F65 HydrophobicContact CB-CE1 4.1Å; W14-F65 AromaticContact CD2-CE1 3.64Å; W14-F65 HydrophobicContact CD2-CE1 3.64Å; W14-F65 AromaticContact CD2-CZ 3.85Å; W14-F65 HydrophobicContact CD2-CZ 3.85Å; W14-F65 AromaticContact CE3-CE1 3.65Å; W14-F65 HydrophobicContact CE3-CE1 3.65Å; W14-F65 HydrophobicContact CE3-CZ 4.13Å; W14-F65 AromaticContact CG-CE1 3.87Å; W14-F65 HydrophobicContact CG-CE1 3.87Å; W14-F65 HydrophobicContact CG-CZ 4.15Å; W14-F65 HydrophobicContact CZ3-CE1 4.35Å; I34-F65 HydrophobicContact CG1-CD1 4.47Å; I34-F65 HydrophobicContact CG2-CD1 3.65Å; I34-F65 HydrophobicContact CG2-CE1 4Å; L48-F65 HydrophobicContact CD2-CB 3.58Å; L48-F65 HydrophobicContact CD2-CD1 3.78Å; L48-F65 HydrophobicContact CD2-CD2 3.68Å; L48-F65 HydrophobicContact CD2-CE1 4.34Å; L48-F65 HydrophobicContact CD2-CE2 4.26Å; L48-F65 HydrophobicContact CD2-CG 3.39Å; N63-F65 PolarHBondContact O-N 3.14Å; N63-F65 VanDerWaalsContact O-N 3.13Å; F65-F67 HydrophobicContact CB-CE2 4.06Å; F65-F67 VanDerWaalsContact O-CD2 3.27Å; F65-F67 WeakPolarHBondContact O-CD2 3.36Å; F65-F67 PolarHBondContact O-N 3.33Å
66	D	84.8	Confident	62.8	Low	57 Å²	57	96.3 Å²	96.3	31%	0.305	53%	0.528	S	S	.	.			trans	-76.6	115.1	175.9	173.2	33.4	0	0	0	113	R16 T68	R16-D66 IonicContact CZ-OD2 2.79Å; R16-D66 IonicContact NH1-OD2 2.69Å; R16-D66 PolarHBondContact NH1-OD2 2.86Å; R16-D66 IonicContact NH2-OD2 3.25Å; R16-D66 PolarHBondContact NH2-OD2 3.11Å; D66-T68 WeakPolarHBondContact OD1-CA 3.24Å; D66-T68 VanDerWaalsContact OD1-CB 3.25Å; D66-T68 WeakPolarHBondContact OD1-CB 3.41Å; D66-T68 VanDerWaalsContact OD1-CG2 3.32Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.49Å; D66-T68 PolarHBondContact OD1-N 3.22Å; D66-T68 PolarHBondContact OD1-OG1 3.11Å; D66-T68 PolarHBondContact OD2-OG1 2.87Å
67	F	84.8	Confident	61.2	Low	41 Å²	41	98.6 Å²	98.6	18%	0.18	54%	0.535	C	S	.	.			trans	-96.9	2.8	174.5	-73.2	-92.1	0	0	0	113.8	I34 F42 S44 K45 L48 F65	I34-F67 HydrophobicContact CB-CE1 3.99Å; I34-F67 HydrophobicContact CB-CZ 3.84Å; I34-F67 HydrophobicContact CG1-CD1 4.14Å; I34-F67 HydrophobicContact CG1-CD2 4.46Å; I34-F67 HydrophobicContact CG1-CE1 3.59Å; I34-F67 HydrophobicContact CG1-CE2 3.95Å; I34-F67 HydrophobicContact CG1-CZ 3.48Å; I34-F67 VanDerWaalsContact CG1-CZ 3.48Å; F42-F67 HydrophobicContact CB-CE1 4.47Å; F42-F67 HydrophobicContact CB-CZ 4.37Å; S44-F67 WeakPolarHBondContact O-CZ 3.48Å; K45-F67 HydrophobicContact CB-CD2 4.02Å; K45-F67 HydrophobicContact CB-CE2 4.05Å; L48-F67 HydrophobicContact CB-CZ 4.13Å; L48-F67 HydrophobicContact CD2-CE2 3.96Å; L48-F67 HydrophobicContact CD2-CZ 3.99Å; F65-F67 HydrophobicContact CB-CE2 4.06Å; F65-F67 VanDerWaalsContact O-CD2 3.27Å; F65-F67 WeakPolarHBondContact O-CD2 3.36Å; F65-F67 PolarHBondContact O-N 3.33Å
68	T	81.6	Confident	59.7	Low	81 Å²	81	106.2 Å²	106.2	50%	0.497	57%	0.565	S	S	.	*			trans	-73.8	149.3	-179.3	69.8	0	0	0	0	111.9	R16 D66	R16-T68 PolarHBondContact NH2-O 3.32Å; D66-T68 WeakPolarHBondContact OD1-CA 3.24Å; D66-T68 VanDerWaalsContact OD1-CB 3.25Å; D66-T68 WeakPolarHBondContact OD1-CB 3.41Å; D66-T68 VanDerWaalsContact OD1-CG2 3.32Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.49Å; D66-T68 PolarHBondContact OD1-N 3.22Å; D66-T68 PolarHBondContact OD1-OG1 3.11Å; D66-T68 PolarHBondContact OD2-OG1 2.87Å
69	S	66.1	Low	58.3	Low	68 Å²	68	105.1 Å²	105.1	48%	0.476	57%	0.57	S	S	.	*			trans	-103.9	64.4	171.9	43.1	0	0	0	0	110.3
70	S	56	Low	56.7	Low	68 Å²	68	103.7 Å²	103.7	48%	0.476	56%	0.563	S	S	.	*			trans	-58.2	135.3	177.8	55.4	0	0	0	0	111.2	T72	S70-T72 PolarHBondContact O-N 3.34Å
71	K	53.3	Low	54.6	Low	211 Å²	211	109.2 Å²	109.2	92%	0.917	59%	0.587	S	S	*	*			trans	-83.4	57.7	179.9	-69.3	-176.1	178	178.6	0	111.4	K73	K71-K73 PolarHBondContact O-N 3.37Å
72	T	37.8	Very low	52.4	Low	90 Å²	90	109 Å²	109	55%	0.552	59%	0.592	S	S	*	*			trans	-70.6	118.6	172.6	36.6	0	0	0	0	110	S70 F74	S70-T72 PolarHBondContact O-N 3.34Å; T72-F74 VanDerWaalsContact C-N 3.31Å; T72-F74 HydrophobicContact CG2-CE2 4.47Å; T72-F74 PolarHBondContact O-N 3.47Å
73	K	43	Very low	50.1	Low	206 Å²	206	115.7 Å²	115.7	90%	0.896	62%	0.62	S	S	*	*			trans	-72.1	89	165.8	-71.8	-178.2	179.2	179.2	0	108	K71 T75	K71-K73 PolarHBondContact O-N 3.37Å; K73-T75 PolarHBondContact O-N 3.2Å
74	F	29.6	Very low	47.7	Very low	182 Å²	182	119 Å²	119	80%	0.798	63%	0.631	S	S	*	*			trans	-74.5	104.6	167.7	-92.7	-83.1	0	0	0	109.7	T72	T72-F74 VanDerWaalsContact C-N 3.31Å; T72-F74 HydrophobicContact CG2-CE2 4.47Å; T72-F74 PolarHBondContact O-N 3.47Å
75	T	30.7	Very low	45.1	Very low	126 Å²	126	121.8 Å²	121.8	77%	0.773	65%	0.651	S	S	*	*			trans	-68	150.2	156.9	43.9	0	0	0	0	109.6	K73	K73-T75 PolarHBondContact O-N 3.2Å
76	S	34.7	Very low	42.7	Very low	120 Å²	120	130.9 Å²	130.9	84%	0.839	69%	0.694	S	S	*	*			trans	-69	149.4	-176.5	46.7	0	0	0	0	114.2
77	S	31.7	Very low	40	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	72%	0.717	S	S	*	*			trans	-145.2	136.6	154	56.7	0	0	0	0	107.8
78	E	32.9	Very low	37.1	Very low	177 Å²	177	143.9 Å²	143.9	83%	0.827	75%	0.75	S	S	*	*			trans	-79.8	157.7	-169.6	-54.3	100	143.3	0	0	114.8
79	T	28.1	Very low	34.5	Very low	145 Å²	145	152 Å²	152	89%	0.89	77%	0.771	S	S	*	*				-141.8	139.8	129.2	29.8	0	0	0	0	108.8
80	D	27.1	Very low	32.6	Very low	133 Å²	133	155 Å²	155	71%	0.711	79%	0.788	S	S	*	*			trans	-81.3	152	-174.1	-145.3	-44.3	0	0	0	112.2
81	H	28.8	Very low	31.4	Very low	171 Å²	171	159.3 Å²	159.3	79%	0.792	80%	0.798	S	S	*	*				174.4	121.6	119.9	-87.8	-28.8	0	0	0	114.7
82	S	30.7	Very low	30.1	Very low	88 Å²	88	158.8 Å²	158.8	62%	0.615	80%	0.795	S	S	*	*			trans	77.7	110	140	-62.5	0	0	0	0	121.5
83	K	30.5	Very low	29.7	Very low	188 Å²	188	161.7 Å²	161.7	82%	0.817	80%	0.803	S	S	*	*			trans	74	145.2	144.8	-57.1	176.8	-175.7	-177.7	0	117.4
84	E	27	Very low	29	Very low	179 Å²	179	156.1 Å²	156.1	84%	0.836	80%	0.795	S	S	*	*			cis	-144.4	160.3	-2.6	-145.1	164.5	137.5	0	0	112.3
85	T	25	Very low	28.9	Very low	113 Å²	113	154.7 Å²	154.7	69%	0.693	80%	0.796	S	S	*	*			trans	-79.9	140.4	-174.7	-51.9	0	0	0	0	112.9	E87	T85-E87 HydrophobicContact CG2-CG 4.2Å
86	Q	32.9	Very low	28.7	Very low	196 Å²	196	151.7 Å²	151.7	92%	0.916	79%	0.79	S	S	*	*			trans	-146.3	117.7	131.2	-82.4	-137.7	-16.1	0	0	111.4
87	E	27.7	Very low	28.6	Very low	169 Å²	169	154.4 Å²	154.4	79%	0.79	79%	0.789	S	S	*	*			trans	-80.5	151.9	168.9	-55.7	178.5	112.9	0	0	111.1	T85	T85-E87 HydrophobicContact CG2-CG 4.2Å
88	K	25	Very low	28.5	Very low	201 Å²	201	156.3 Å²	156.3	87%	0.874	79%	0.786	S	S	*	*			trans	-157.5	103.6	137.9	-121.6	166.9	-173.1	170	0	113.1
89	W	25.5	Very low	28.2	Very low	251 Å²	251	153.8 Å²	153.8	95%	0.951	78%	0.778	S	S	*	*			trans	-130.3	112.9	167.7	-109.7	36	0	0	0	109.1
90	T	27.3	Very low	28.4	Very low	133 Å²	133	155.7 Å²	155.7	82%	0.816	77%	0.774	S	S	*	*			trans	-160.5	153.8	157.9	39.4	0	0	0	0	111.3
91	K	30.8	Very low	28.4	Very low	157 Å²	157	155.7 Å²	155.7	68%	0.683	78%	0.779	S	S	*	*			cis	-174.9	132.7	-29.3	-171.9	167.4	-179.6	174.8	0	108.9
92	K	26.2	Very low	28.2	Very low	200 Å²	200	151.6 Å²	151.6	87%	0.87	78%	0.784	S	S	*	*			trans	175.7	125.5	149.6	-101.6	168	-178.9	-178.4	0	107.5
93	Q	28.5	Very low	27.9	Very low	151 Å²	151	151.1 Å²	151.1	71%	0.706	79%	0.793	S	S	*	*			cis	60.2	134.1	26.3	-73.8	-169.4	-36.4	0	0	113.7
94	A	28.5	Very low	27.6	Very low	90 Å²	90	152 Å²	152	74%	0.744	80%	0.796	S	S	*	*			cis	-144	-167.2	5.2	0	0	0	0	0	109.2
95	N	27	Very low	27.7	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	79%	0.794	S	S	*	*			cis	-162.7	154.4	11.6	-165.4	24.2	0	0	0	112.4
96	G	27.4	Very low	27.7	Very low	62 Å²	62	153.4 Å²	153.4	64%	0.639	80%	0.801	S	S	*	*			trans	64.7	158.7	153.7	0	0	0	0	0	119.8
97	Q	31.8	Very low	27.4	Very low	177 Å²	177	149.5 Å²	149.5	83%	0.827	80%	0.795	S	S	*	*			cis	-154.5	176.5	-17	-161.6	153	-37.5	0	0	110.3
98	Q	29.6	Very low	27.3	Very low	150 Å²	150	145.4 Å²	145.4	70%	0.701	79%	0.79	S	S	*	*			trans	-70.5	155.8	-158.6	-70.3	170.7	-90.5	0	0	119.3
99	D	27.9	Very low	27.4	Very low	124 Å²	124	146.2 Å²	146.2	66%	0.663	79%	0.788	S	S	*	*			trans	32	126.7	135.4	-40.9	-35.5	0	0	0	120.9
100	K	30.4	Very low	27.6	Very low	185 Å²	185	139.8 Å²	139.8	80%	0.804	77%	0.768	S	S	*	*				172.9	155.6	93.5	-91.6	-170.3	-176.4	178.4	0	114.9
101	T	27.7	Very low	27.6	Very low	132 Å²	132	140.8 Å²	140.8	81%	0.81	76%	0.763	S	S	*	*			trans	36.9	119.8	151.1	56.1	0	0	0	0	120.4
102	G	23.9	Very low	27.6	Very low	86 Å²	86	137.7 Å²	137.7	89%	0.887	76%	0.761	S	S	*	*			trans	-71.9	158	177.5	0	0	0	0	0	116.1
103	G	25.6	Very low	27.7	Very low	78 Å²	78	136.8 Å²	136.8	80%	0.804	76%	0.758	S	S	*	*			trans	-154.1	73.4	-175.1	0	0	0	0	0	113.2	V105	G103-V105 PolarHBondContact O-N 3.28Å
104	K	24.9	Very low	27.6	Very low	207 Å²	207	136.8 Å²	136.8	90%	0.9	76%	0.762	S	S	*	*			trans	-13.6	112.4	161.3	177.7	-171.4	-173.4	177.8	0	116.2
105	V	27.4	Very low	27.6	Very low	131 Å²	131	136.4 Å²	136.4	79%	0.794	75%	0.754	S	S	*	*			trans	-164.5	157.3	139.7	128.3	0	0	0	0	114.5	G103	G103-V105 PolarHBondContact O-N 3.28Å
106	K	26	Very low	27.5	Very low	189 Å²	189	139.3 Å²	139.3	82%	0.822	76%	0.76	S	S	*	*			trans	-52.2	174.1	173.4	-44.9	166.4	-171.5	175.8	0	112.1
107	S	26.3	Very low	27.7	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	77%	0.766	S	S	*	*			cis	-159	158.9	24.2	-171.3	0	0	0	0	113.3
108	A	25.6	Very low	27.7	Very low	83 Å²	83	138.1 Å²	138.1	69%	0.686	76%	0.762	S	S	*	*			trans	-70.7	161.1	168.5	0	0	0	0	0	113.7
109	R	26.3	Very low	27.6	Very low	218 Å²	218	137.1 Å²	137.1	82%	0.823	77%	0.766	S	S	*	*			trans	175.1	153.9	130.8	-94.5	171.9	148	169.8	-8.3	109.3
110	H	31.1	Very low	27.6	Very low	117 Å²	117	141.1 Å²	141.1	54%	0.542	77%	0.772	S	S	.	*			cis	-154.7	155.2	-2.6	-127	-55.5	0	0	0	108.7
111	E	27.7	Very low	27.4	Very low	153 Å²	153	138.6 Å²	138.6	72%	0.715	78%	0.776	S	S	*	*			trans	63.3	157.1	150.5	-72	159.3	-145.9	0	0	119.5
112	S	29.7	Very low	27.4	Very low	92 Å²	92	140.2 Å²	140.2	64%	0.643	77%	0.772	S	S	*	*			cis	-154.2	141.5	-18.4	-115.4	0	0	0	0	112.4
113	K	28.9	Very low	27.6	Very low	182 Å²	182	141.9 Å²	141.9	79%	0.791	77%	0.765	S	S	*	*			trans	28.4	136.2	148.3	-58.1	177.9	-177.2	175.5	0	121.7
114	N	26.7	Very low	27.6	Very low	150 Å²	150	150 Å²	150	80%	0.802	77%	0.771	S	S	*	*			trans	72.1	155.2	146.9	-72.7	16.8	0	0	0	119.2
115	S	27.3	Very low	27.8	Very low	83 Å²	83	149.8 Å²	149.8	58%	0.58	77%	0.77	S	S	*	*			cis	-175.9	130.5	-26.7	54.7	0	0	0	0	110.7
116	F	25.5	Very low	27.9	Very low	212 Å²	212	148.7 Å²	148.7	93%	0.93	77%	0.768	S	S	*	*			trans	59.1	161.7	169.4	-76.6	-92.7	0	0	0	115.3
117	S	30.8	Very low	28	Very low	109 Å²	109	149 Å²	149	76%	0.762	77%	0.769	S	S	*	*			cis	-150.4	179.1	-1.3	46.2	0	0	0	0	110.4
118	S	32.3	Very low	28	Very low	106 Å²	106	149.4 Å²	149.4	74%	0.741	77%	0.767	S	S	*	*			trans	-64.2	150.7	169.3	175.5	0	0	0	0	113.2
119	T	28.4	Very low	28.3	Very low	128 Å²	128	151.5 Å²	151.5	79%	0.785	77%	0.771	S	S	*	*				-173.5	128.4	128.6	-79.7	0	0	0	0	114.7
120	R	26.9	Very low	29.2	Very low	209 Å²	209	146.7 Å²	146.7	79%	0.789	77%	0.768	S	S	*	*			trans	0.7	144.3	146	-173.7	-165	-123.2	160.2	2	119.8
121	C	26	Very low	29	Very low	132 Å²	132	145.4 Å²	145.4	89%	0.892	78%	0.778	S	S	*	*			trans	-132.3	170.7	154.8	-146.3	0	0	0	0	113.4
122	K	28.3	Very low	29.2	Very low	165 Å²	165	144.1 Å²	144.1	72%	0.717	78%	0.78	S	S	*	*			trans	-137.8	150.7	-165.7	-94.5	-175.2	175.3	179.6	0	113.8
123	V	27.7	Very low	29.2	Very low	122 Å²	122	147.8 Å²	147.8	74%	0.739	79%	0.787	S	S	*	*			trans	40.1	136.7	137.4	-175.9	0	0	0	0	120.8
124	R	26	Very low	29.3	Very low	249 Å²	249	146 Å²	146	94%	0.94	79%	0.787	S	S	*	*			trans	-130.7	152.4	150.2	-71.4	-172.4	173.6	-172.3	-2	110.9
125	K	29.5	Very low	29.4	Very low	201 Å²	201	145.5 Å²	145.5	87%	0.874	79%	0.789	S	S	*	*			trans	-163.1	136.9	-178.2	-172.2	177.5	-175.8	-179.8	0	113
126	S	28.2	Very low	29.7	Very low	108 Å²	108	150.7 Å²	150.7	76%	0.755	80%	0.801	S	S	*	*			trans	-162	125.4	168.3	42.9	0	0	0	0	107.8
127	K	28	Very low	30	Very low	196 Å²	196	145.8 Å²	145.8	85%	0.852	79%	0.793	S	S	*	*				66.6	130.4	61.6	-128.6	-166.7	177.4	-172.6	0	110.8
128	V	27.6	Very low	30.1	Very low	123 Å²	123	147.8 Å²	147.8	75%	0.745	80%	0.795	S	S	*	*			cis	-148.5	169.6	35.1	172.3	0	0	0	0	112.1
129	T	30.6	Very low	29.9	Very low	126 Å²	126	148 Å²	148	77%	0.773	79%	0.792	S	S	*	*			trans	-130.9	161.2	170	57.3	0	0	0	0	110.4
130	P	45	Very low	30.1	Very low	118 Å²	118	149.8 Å²	149.8	77%	0.766	80%	0.796	S	S	*	*				-162.8	-179.2	87.4	43.1	-21.6	0	0	0	119
131	A	27.2	Very low	30.2	Very low	90 Å²	90	148.7 Å²	148.7	74%	0.744	80%	0.8	S	S	*	*			trans	62.8	150.6	139.5	0	0	0	0	0	123.4
132	V	31.6	Very low	30.5	Very low	126 Å²	126	151.5 Å²	151.5	76%	0.764	80%	0.8	S	S	*	*			cis	-153.7	170.9	-37.8	-141.1	0	0	0	0	109.6
133	E	30	Very low	30.8	Very low	169 Å²	169	151.3 Å²	151.3	79%	0.79	81%	0.807	S	S	*	*			trans	81.3	126.1	151.4	-78	171.7	-159.7	0	0	124.8
134	D	30.6	Very low	31.1	Very low	145 Å²	145	153.9 Å²	153.9	78%	0.775	81%	0.814	S	S	*	*			trans	42.4	122.4	139.4	-67.8	16.8	0	0	0	125.5
135	T	30.5	Very low	31.3	Very low	139 Å²	139	145.9 Å²	145.9	85%	0.853	80%	0.802	S	S	*	*				-179.7	150.5	96.9	-69.5	0	0	0	0	113.7
136	K	32.9	Very low	31.5	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.835	80%	0.802	S	S	*	*			trans	-65.1	154.7	-170.8	-55.5	159.8	-177.5	170.1	0	117.3
137	S	32.3	Very low	31.6	Very low	108 Å²	108	150 Å²	150	76%	0.755	81%	0.812	S	S	*	*				-170.2	127.8	123.5	22.3	0	0	0	0	114.7
138	N	31.8	Very low	31.8	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	81%	0.805	S	S	*	*			trans	42	146.1	135.9	-64.7	15.4	0	0	0	122.7
139	T	29.5	Very low	32.1	Very low	110 Å²	110	146.7 Å²	146.7	68%	0.675	81%	0.806	S	S	*	*			cis	-168.2	165.1	-8	-86.7	0	0	0	0	109.5
140	L	32.7	Very low	32.2	Very low	166 Å²	166	148.6 Å²	148.6	87%	0.869	81%	0.806	S	S	*	*			trans	101.4	139	172.8	-59.7	-175.6	0	0	0	116.8
141	Q	28.2	Very low	31.4	Very low	186 Å²	186	151.2 Å²	151.2	87%	0.869	81%	0.812	S	S	*	*			trans	-122.2	158.1	-179.4	-59.6	159.4	-105.9	0	0	108.5
142	E	32.6	Very low	31.5	Very low	191 Å²	191	151.7 Å²	151.7	89%	0.893	81%	0.81	S	S	*	*			trans	-159	117.9	140.1	-121.4	169.2	-152	0	0	110
143	D	33.5	Very low	31.7	Very low	161 Å²	161	150.5 Å²	150.5	86%	0.861	81%	0.807	S	S	*	*			trans	-151.2	112.6	177	-91.2	-47.2	0	0	0	107.4
144	I	34	Very low	32	Very low	176 Å²	176	151 Å²	151	90%	0.903	81%	0.809	S	S	*	*			trans	-143	147.8	168.8	-63.9	-173	0	0	0	109.1
145	A	30.8	Very low	32	Very low	81 Å²	81	148.7 Å²	148.7	67%	0.669	81%	0.81	S	S	*	*			trans	-118.6	-178.4	-176.3	0	0	0	0	0	113.2
146	E	34.2	Very low	32	Very low	189 Å²	189	146.1 Å²	146.1	88%	0.883	80%	0.804	S	S	*	*			trans	11.1	126.5	157.7	-59.3	177.2	152.8	0	0	120.4
147	E	30.4	Very low	32	Very low	205 Å²	205	142.8 Å²	142.8	96%	0.958	80%	0.804	S	S	*	*				-165.8	-167.2	114.2	-122.7	-174.9	164.2	0	0	112.9
148	A	31.5	Very low	32.2	Very low	87 Å²	87	142.4 Å²	142.4	72%	0.719	80%	0.801	S	S	*	*			trans	-140.9	-170.2	-160.3	0	0	0	0	0	115.8
149	E	34.2	Very low	32.2	Very low	163 Å²	163	139.7 Å²	139.7	76%	0.762	80%	0.795	S	S	*	*			trans	70.6	107.9	162.7	-67.6	-71.9	136.1	0	0	121.4
150	Q	31.8	Very low	32.3	Very low	166 Å²	166	141 Å²	141	78%	0.776	80%	0.798	S	S	*	*				51.3	118.2	110.5	-153.3	97.5	-35.2	0	0	121.9
151	I	28.5	Very low	32.7	Very low	174 Å²	174	140.9 Å²	140.9	89%	0.892	80%	0.797	S	S	*	*			trans	-137.8	156.7	159	-66.1	-173.5	0	0	0	110.7
152	S	30	Very low	33.2	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	78%	0.783	S	S	*	*			trans	-137	154.7	-162.1	175.8	0	0	0	0	116
153	S	35.1	Very low	33.3	Very low	100 Å²	100	134 Å²	134	70%	0.699	78%	0.782	S	S	*	*			trans	-170.7	121.6	157.3	-75.8	0	0	0	0	108.9
154	Q	36.2	Very low	33.5	Very low	180 Å²	180	134.1 Å²	134.1	84%	0.841	78%	0.783	S	S	*	*				66.9	135.3	70.2	-65	-177.4	106.3	0	0	114.5
155	A	31.7	Very low	33.7	Very low	96 Å²	96	131.9 Å²	131.9	79%	0.793	77%	0.772	S	S	*	*			cis	-167.4	-173.9	-14.7	0	0	0	0	0	107.8
156	A	30.4	Very low	33.7	Very low	86 Å²	86	137.7 Å²	137.7	71%	0.711	78%	0.778	S	S	*	*			cis	-164.6	178.5	0.6	0	0	0	0	0	110.6
157	S	33.6	Very low	33.9	Very low	122 Å²	122	134.1 Å²	134.1	85%	0.853	77%	0.77	S	S	*	*			trans	68.7	146	163.4	-62.4	0	0	0	0	119.6
158	S	34.6	Very low	34.7	Very low	99 Å²	99	128.9 Å²	128.9	69%	0.692	75%	0.753	S	S	*	*			cis	-164.9	166.6	-7.9	50.5	0	0	0	0	112.3
159	S	32.8	Very low	34.6	Very low	96 Å²	96	133.6 Å²	133.6	67%	0.671	76%	0.761	S	S	*	*			trans	63.3	144.2	165.7	52.2	0	0	0	0	119
160	D	32.2	Very low	34.9	Very low	138 Å²	138	131.1 Å²	131.1	74%	0.738	76%	0.761	S	S	*	*			cis	-163.7	150.5	-9.5	-109	-30.3	0	0	0	112.6
161	L	41	Very low	35.6	Very low	163 Å²	163	129.4 Å²	129.4	85%	0.853	76%	0.764	S	S	*	*			trans	54	145.7	153.5	-56.9	175	0	0	0	121
162	A	39.2	Very low	35.9	Very low	69 Å²	69	132.2 Å²	132.2	57%	0.57	76%	0.764	S	S	*	*			cis	-166.2	159.4	-14.3	0	0	0	0	0	110.7
163	D	33	Very low	36.2	Very low	164 Å²	164	139.4 Å²	139.4	88%	0.877	78%	0.776	S	S	*	*			trans	49.4	145	157.3	-46.4	-20.7	0	0	0	120.2
164	D	39	Very low	36.2	Very low	163 Å²	163	141.6 Å²	141.6	87%	0.872	78%	0.784	S	S	*	*			cis	-146.3	-179.8	10.3	-168.5	9.2	0	0	0	110.3
165	D	36.8	Very low	36.1	Very low	128 Å²	128	136.5 Å²	136.5	68%	0.684	78%	0.78	S	S	*	*			trans	-127.9	-165.5	-164.9	-170.1	22.9	0	0	0	115.3
166	Y	31.8	Very low	36.6	Very low	203 Å²	203	139.5 Å²	139.5	80%	0.796	78%	0.782	S	S	*	*			trans	90.6	89.1	170.4	-89.9	-93.6	0	0	0	119.9
167	T	38.1	Very low	36.9	Very low	115 Å²	115	144 Å²	144	71%	0.706	79%	0.793	S	S	*	*			trans	-85.2	174.6	136.3	67	0	0	0	0	108.6
168	P	46.5	Very low	37	Very low	94 Å²	94	148 Å²	148	61%	0.61	79%	0.789	S	S	*	*			cis	-152.9	-162.5	24.3	43.7	-20.1	0	0	0	117.7
169	Q	31.1	Very low	37.1	Very low	187 Å²	187	150 Å²	150	87%	0.874	79%	0.788	S	S	*	*			trans	83.8	144.2	153.6	-73.7	173.3	26.5	0	0	120.9
170	S	38.5	Very low	37.2	Very low	110 Å²	110	154.9 Å²	154.9	77%	0.769	80%	0.797	S	S	*	*			trans	-103.1	165.6	177.8	66.4	0	0	0	0	111.3
171	P	46.5	Very low	37.4	Very low	130 Å²	130	156.6 Å²	156.6	84%	0.844	80%	0.804	S	S	*	*				-143.1	170.8	120.7	36.2	-22.2	0	0	0	115.9
172	R	36.8	Very low	36.9	Very low	233 Å²	233	155.3 Å²	155.3	88%	0.879	80%	0.797	S	S	*	*			trans	-75.3	152.2	178.8	-51.2	166.8	174.4	-178	-3.3	112.9
173	R	35.1	Very low	36.5	Very low	252 Å²	252	162 Å²	162	95%	0.951	81%	0.808	S	S	*	*				-172.9	172.2	119.9	-105.4	171.5	-167	-174.5	6.3	114.7
174	V	34.6	Very low	36.5	Very low	146 Å²	146	163 Å²	163	89%	0.885	81%	0.812	S	S	*	*			trans	-100.2	147.2	-174.5	178.5	0	0	0	0	110.5
175	G	34.8	Very low	36.2	Very low	72 Å²	72	159.6 Å²	159.6	74%	0.742	81%	0.807	S	S	*	*			trans	-153.5	139.3	171.3	0	0	0	0	0	113.1
176	L	42.5	Very low	36.4	Very low	160 Å²	160	160.1 Å²	160.1	84%	0.838	82%	0.817	S	S	*	*			trans	-71.6	144	173.2	-98.4	63.7	0	0	0	111.2
177	L	37.3	Very low	36.4	Very low	181 Å²	181	155.6 Å²	155.6	95%	0.948	82%	0.815	S	S	*	*			trans	-133.6	134.2	143.9	-78.2	-179.5	0	0	0	110.5
178	R	35	Very low	36.4	Very low	205 Å²	205	154.5 Å²	154.5	77%	0.774	81%	0.813	S	S	*	*			trans	-140.4	171.6	174.1	-151.5	-177.4	-167.9	-86.1	2.1	106.6
179	E	36.8	Very low	35.8	Very low	141 Å²	141	155.4 Å²	155.4	66%	0.659	81%	0.812	S	S	*	*			trans	85.3	149.9	173.9	-54.2	-52.8	118.8	0	0	118.4
180	K	33.7	Very low	36.3	Very low	198 Å²	198	152.9 Å²	152.9	86%	0.861	80%	0.8	S	S	*	*			trans	64.6	82	167.4	-64.2	175.4	-178.3	176.5	0	118.2
181	I	36.5	Very low	36.2	Very low	175 Å²	175	157.2 Å²	157.2	90%	0.897	81%	0.809	S	S	*	*			trans	-113.3	107.8	137.3	-62	178.5	0	0	0	107.6
182	L	31.7	Very low	35.6	Very low	135 Å²	135	157.3 Å²	157.3	71%	0.707	80%	0.802	S	S	*	*			trans	-153.3	124.9	169.5	-106.7	176.7	0	0	0	109.8
183	R	31.3	Very low	35.2	Very low	210 Å²	210	152.2 Å²	152.2	79%	0.792	80%	0.797	S	S	*	*			trans	57.9	107.4	167.1	-50.7	-176.1	-170.2	96.8	0.2	116.9
184	L	32.6	Very low	34.9	Very low	184 Å²	184	149.9 Å²	149.9	96%	0.963	79%	0.794	S	S	*	*			trans	-127.2	136.2	135.9	-74.3	177.6	0	0	0	107.9
185	A	32	Very low	34.7	Very low	93 Å²	93	150.4 Å²	150.4	77%	0.769	79%	0.791	S	S	*	*			trans	-134.7	141.7	170	0	0	0	0	0	107.4
186	P	42.1	Very low	35.3	Very low	138 Å²	138	152.9 Å²	152.9	90%	0.896	79%	0.794	S	S	*	*			trans	-87.2	138.9	178.8	33.7	-32.7	0	0	0	112.3
187	S	30.1	Very low	34.9	Very low	108 Å²	108	149.3 Å²	149.3	76%	0.755	79%	0.787	S	S	*	*			trans	-138.4	125.5	157.9	-166.8	0	0	0	0	104.5
188	S	38.3	Very low	35.5	Very low	93 Å²	93	146.8 Å²	146.8	65%	0.65	78%	0.782	S	S	*	*				155.7	161.9	90.7	-93	0	0	0	0	106.3
189	D	35	Very low	35.5	Very low	113 Å²	113	147.7 Å²	147.7	60%	0.604	79%	0.785	S	S	*	*			cis	-156.2	157.3	-10	-116.4	-49.6	0	0	0	112
190	Q	41.9	Very low	35.3	Very low	134 Å²	134	148 Å²	148	63%	0.626	79%	0.792	S	S	*	*			trans	20.9	140.4	148.2	-66	162.3	63.5	0	0	123.1
191	Q	35.8	Very low	35.3	Very low	201 Å²	201	147.4 Å²	147.4	94%	0.939	79%	0.792	S	S	*	*				-134.2	153.9	116.7	-70.5	-159.2	4.6	0	0	110.8
192	N	33.9	Very low	35.9	Very low	132 Å²	132	144.2 Å²	144.2	71%	0.706	78%	0.782	S	S	*	*			trans	-99.3	163.9	-173.4	-76.3	-61.3	0	0	0	113.1
193	T	29.1	Very low	35.8	Very low	125 Å²	125	141.7 Å²	141.7	77%	0.767	78%	0.781	S	S	*	*				-178	108.7	129.4	-83.1	0	0	0	0	114.8
194	F	28	Very low	35.8	Very low	203 Å²	203	139.4 Å²	139.4	89%	0.89	79%	0.785	S	S	*	*			trans	76.3	164.5	145.7	-77.4	-110.1	0	0	0	123.6
195	L	30.7	Very low	35.9	Very low	158 Å²	158	135.2 Å²	135.2	83%	0.827	78%	0.777	S	S	*	*			trans	-134.2	178.8	-158.4	-87.9	171.9	0	0	0	109.2
196	P	46.1	Very low	36.5	Very low	123 Å²	123	136.6 Å²	136.6	80%	0.799	78%	0.778	S	S	*	*			cis	-145.2	-173.7	27.5	43.2	-21.5	0	0	0	118.4
197	A	34	Very low	36.8	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	78%	0.775	S	S	*	*			trans	-96.9	175	173.2	0	0	0	0	0	112.6
198	P	50.6	Low	36.9	Very low	128 Å²	128	136.8 Å²	136.8	83%	0.831	78%	0.78	S	S	*	*				-145.5	-174.6	86.7	35.8	-17.8	0	0	0	113.7
199	R	34.9	Very low	36.7	Very low	224 Å²	224	138.5 Å²	138.5	85%	0.845	79%	0.786	S	S	*	*			cis	170.1	124.4	-38.5	-177.1	-167.8	-170.7	162.6	3.6	107
200	N	32.8	Very low	36.9	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	79%	0.794	S	S	*	*			trans	162.7	163.7	143.6	-81.5	-15	0	0	0	112.5
201	Q	33.8	Very low	36.3	Very low	184 Å²	184	138.8 Å²	138.8	86%	0.86	80%	0.803	S	S	*	*			trans	-128.7	-168.2	-177.9	-46	-179	-1.3	0	0	109
202	P	48.5	Very low	36	Very low	108 Å²	108	136.3 Å²	136.3	70%	0.701	80%	0.796	S	S	*	*			cis	-140.9	-178.4	-6.3	40.8	-21.6	0	0	0	117.4
203	A	29.6	Very low	35.9	Very low	83 Å²	83	138.1 Å²	138.1	69%	0.686	81%	0.805	S	S	*	*			trans	94.2	141.5	139.4	0	0	0	0	0	123.7
204	N	31.8	Very low	36.3	Very low	161 Å²	161	138.4 Å²	138.4	86%	0.861	81%	0.807	S	S	*	*			trans	92.3	142.9	152.2	-65	-21.2	0	0	0	123.3
205	A	35	Very low	36.5	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	81%	0.808	S	S	*	*			trans	72.4	121.6	163	0	0	0	0	0	121.1
206	P	45.4	Very low	36.6	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-98.8	161.1	160.4	38.1	-31.9	0	0	0	113
207	P	47.4	Very low	35.8	Very low	130 Å²	130	134 Å²	134	84%	0.844	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-87.1	166.4	-178.4	35.1	-36	0	0	0	115.2
208	S	32.6	Very low	35.6	Very low	121 Å²	121	136.1 Å²	136.1	85%	0.846	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-89	158.4	-160.8	-43.6	0	0	0	0	117.1
209	V	33.2	Very low	34.7	Very low	129 Å²	129	138.7 Å²	138.7	78%	0.782	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-95.3	151.2	158.4	-75.5	0	0	0	0	111.2
210	P	40.8	Very low	34.6	Very low	121 Å²	121	133.4 Å²	133.4	79%	0.786	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.1	149.7	167.4	34.9	-32.8	0	0	0	111.4
211	T	27.6	Very low	34.7	Very low	131 Å²	131	134 Å²	134	80%	0.804	81%	0.807	S	S	*	*			trans	-149	155.7	170	-71.2	0	0	0	0	109.8
212	L	30.5	Very low	34.6	Very low	150 Å²	150	130.8 Å²	130.8	79%	0.785	80%	0.796	S	S	*	*			trans	-48.6	151.4	-179.1	-64.7	157	0	0	0	114.2
213	N	31.1	Very low	34	Very low	170 Å²	170	133.6 Å²	133.6	91%	0.909	80%	0.8	S	S	*	*			trans	-136.1	150.9	149.6	-113.3	13.9	0	0	0	109.2
214	V	38.6	Very low	34.3	Very low	131 Å²	131	133.9 Å²	133.9	79%	0.794	80%	0.797	S	S	*	*			trans	-139.6	132.1	-178.9	172.1	0	0	0	0	107.9
215	E	31.4	Very low	34.7	Very low	199 Å²	199	133.8 Å²	133.8	93%	0.93	79%	0.791	S	S	*	*			trans	-160.1	169.5	158.8	-123.9	165.2	-173.1	0	0	110.5
216	A	34	Very low	34.6	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	78%	0.782	S	S	*	*			trans	-147.9	156.1	-162.1	0	0	0	0	0	115.4
217	A	28.3	Very low	34.4	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	78%	0.781	S	S	*	*			trans	64.9	119.4	155.9	0	0	0	0	0	120.8
218	T	29.8	Very low	33.9	Very low	130 Å²	130	132.1 Å²	132.1	80%	0.798	77%	0.77	S	S	*	*			trans	-155	112.3	132.9	47.5	0	0	0	0	111.2
219	E	31.3	Very low	34.1	Very low	181 Å²	181	133.2 Å²	133.2	85%	0.846	77%	0.766	S	S	*	*			trans	49.8	161.2	131.7	-59.5	-177.9	164.4	0	0	124.5
220	S	33.4	Very low	34.1	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	76%	0.764	S	S	*	*			trans	74.5	141.6	167	73.9	0	0	0	0	119.1
221	E	34.6	Very low	33.7	Very low	160 Å²	160	134.3 Å²	134.3	75%	0.748	77%	0.766	S	S	*	*			cis	-166.7	164.8	-31.3	-131.4	179.2	-139.4	0	0	110.5
222	N	32.4	Very low	34	Very low	118 Å²	118	133.7 Å²	133.7	63%	0.631	76%	0.761	S	S	*	*			trans	60.6	111.8	154.1	-56.4	-23.8	0	0	0	119.5
223	E	36.2	Very low	34	Very low	166 Å²	166	131.1 Å²	131.1	78%	0.776	76%	0.761	S	S	*	*				112.5	149.3	93.8	-85	-65.2	144.6	0	0	109.2
224	S	35.1	Very low	34.2	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	76%	0.759	S	S	*	*			cis	-151	159.1	8.6	56.7	0	0	0	0	113.4
225	E	40.1	Very low	35	Very low	159 Å²	159	129.7 Å²	129.7	74%	0.743	75%	0.748	S	S	*	*			trans	47.3	150.8	142.6	-70.1	-173.9	-175.3	0	0	122.7
226	N	33.4	Very low	35	Very low	114 Å²	114	128.5 Å²	128.5	61%	0.61	74%	0.742	S	S	*	*			cis	-151.8	135.3	3.1	-112	-43.2	0	0	0	107.6
227	V	40.3	Very low	35.2	Very low	124 Å²	124	128.5 Å²	128.5	75%	0.752	74%	0.737	S	S	*	*				68	136.8	86.2	173.3	0	0	0	0	114
228	A	37.4	Very low	35.4	Very low	74 Å²	74	131.8 Å²	131.8	61%	0.612	73%	0.733	S	S	*	*			cis	-142.1	149.3	14.2	0	0	0	0	0	111.8
229	N	36.2	Very low	35.4	Very low	144 Å²	144	131.4 Å²	131.4	77%	0.77	73%	0.726	S	S	*	*				68.6	150	90.2	-50.7	-6.3	0	0	0	114.4
230	T	34	Very low	35.5	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	72%	0.722	S	S	*	*			cis	-159.4	131.5	23.6	-33.4	0	0	0	0	105.9
231	D	33	Very low	35.4	Very low	153 Å²	153	132 Å²	132	82%	0.818	73%	0.726	S	S	*	*			cis	92.8	163.2	48.6	-165.3	25.1	0	0	0	114.3
232	V	33.9	Very low	35.5	Very low	118 Å²	118	132.2 Å²	132.2	72%	0.715	73%	0.725	S	S	*	*			trans	99.6	91.4	167.9	-169.2	0	0	0	0	120.3
233	A	29.6	Very low	35.4	Very low	95 Å²	95	132 Å²	132	79%	0.785	73%	0.732	S	S	*	*				69.4	151.5	125.4	0	0	0	0	0	126.1
234	Q	35	Very low	35.3	Very low	183 Å²	183	130.2 Å²	130.2	86%	0.855	73%	0.728	S	S	*	*			trans	-103.1	-160.8	160.7	-50.6	-171.1	-75.9	0	0	109.4
235	P	56	Low	35.2	Very low	88 Å²	88	131.1 Å²	131.1	57%	0.571	73%	0.734	S	S	*	*			cis	-139.4	-153.7	-6.2	37.1	-12.9	0	0	0	115.4
236	H	30.4	Very low	34.8	Very low	174 Å²	174	131.8 Å²	131.8	81%	0.806	74%	0.738	S	S	*	*			trans	85.2	147.1	172	-47.3	-66.9	0	0	0	117.1
237	S	38.1	Very low	34.8	Very low	95 Å²	95	133 Å²	133	66%	0.664	75%	0.749	S	S	*	*			cis	-171.2	176.6	-20.9	57.4	0	0	0	0	111
238	K	32.2	Very low	34.5	Very low	167 Å²	167	132.6 Å²	132.6	73%	0.726	75%	0.746	S	S	*	*			trans	77.7	154.1	160.8	-74.4	173.1	146	-75.7	0	118.8
239	D	30.5	Very low	34.2	Very low	122 Å²	122	135.6 Å²	135.6	65%	0.652	75%	0.752	S	S	*	*			cis	-141.8	171.6	2.6	-108.3	-33.6	0	0	0	112.3
240	D	33.7	Very low	34.2	Very low	141 Å²	141	135.3 Å²	135.3	75%	0.754	75%	0.75	S	S	*	*			trans	-94.4	161.6	-163.3	-55.7	-81.7	0	0	0	118.6
241	N	32.3	Very low	34.3	Very low	166 Å²	166	134 Å²	134	89%	0.888	75%	0.752	S	S	*	*			trans	-152.4	169.4	134.7	-128.3	-93.5	0	0	0	115.4
242	K	35.8	Very low	34	Very low	165 Å²	165	133.4 Å²	133.4	72%	0.717	75%	0.749	S	S	*	*			trans	-158.8	141.6	-148.6	163.7	-175.3	165.1	177.8	0	116.4	N244	K242-N244 WeakPolarHBondContact CE-OD1 3.32Å
243	S	30.6	Very low	34.1	Very low	112 Å²	112	132 Å²	132	78%	0.783	74%	0.744	S	S	*	*			trans	-172.8	119.8	148.9	-77.1	0	0	0	0	108.5
244	N	32.7	Very low	34.3	Very low	129 Å²	129	135.9 Å²	135.9	69%	0.69	75%	0.746	S	S	*	*				65.6	135.1	74	-72.4	67.3	0	0	0	113.1	K242	K242-N244 WeakPolarHBondContact CE-OD1 3.32Å
245	S	33.2	Very low	34	Very low	110 Å²	110	131.2 Å²	131.2	77%	0.769	73%	0.733	S	S	*	*			cis	-145.8	166.4	23.5	-168.5	0	0	0	0	114.6
246	E	31.6	Very low	32.8	Very low	173 Å²	173	135.5 Å²	135.5	81%	0.808	75%	0.745	S	S	*	*			trans	-90.9	162.4	175.5	-52.3	148.9	116.6	0	0	113.5
247	V	33.4	Very low	32.8	Very low	140 Å²	140	137.1 Å²	137.1	85%	0.848	74%	0.744	S	S	*	*			trans	-151	151.6	138.7	-177.1	0	0	0	0	109.3
248	V	34.3	Very low	32.5	Very low	114 Å²	114	139.1 Å²	139.1	69%	0.691	74%	0.743	S	S	*	*			trans	-72.1	169	178.6	-68.1	0	0	0	0	113.3
249	D	32.2	Very low	32.5	Very low	138 Å²	138	139 Å²	139	74%	0.738	75%	0.745	S	S	*	*				-163.2	165.4	58.2	-118.5	-47.8	0	0	0	118.2
250	N	34.9	Very low	32.5	Very low	137 Å²	137	139.6 Å²	139.6	73%	0.733	75%	0.753	S	S	*	*			trans	-48.4	136.8	-177.8	-68.6	-80.6	0	0	0	118
251	A	35.8	Very low	32.4	Very low	94 Å²	94	140.1 Å²	140.1	78%	0.777	76%	0.755	S	S	*	*				98.4	165.7	89.3	0	0	0	0	0	113.4
252	D	27.6	Very low	32.4	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	75%	0.748	S	S	*	*			cis	-154.3	164.9	8	-164.2	14.1	0	0	0	113.2
253	S	36.2	Very low	31.9	Very low	89 Å²	89	136.3 Å²	136.3	62%	0.622	75%	0.751	S	S	*	*			trans	10.2	164.4	146.8	-68.3	0	0	0	0	124.4
254	H	33.5	Very low	32.1	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.815	75%	0.751	S	S	*	*			cis	-179.6	168.7	-31.2	-134.2	-86.3	0	0	0	108.8
255	S	30.1	Very low	31.8	Very low	85 Å²	85	137.9 Å²	137.9	59%	0.594	76%	0.76	S	S	*	*			trans	72.5	155.9	160.5	-147.7	0	0	0	0	116
256	H	29.2	Very low	31.6	Very low	178 Å²	178	136.5 Å²	136.5	82%	0.824	76%	0.764	S	S	*	*			cis	-138.7	169.8	26.8	-90.3	-96.2	0	0	0	115.9
257	R	31.9	Very low	31.3	Very low	208 Å²	208	132.3 Å²	132.3	79%	0.785	77%	0.767	S	S	*	*			trans	-70.1	-179.7	161.8	-73.2	159.7	144.1	-113.4	3.1	110.4
258	E	31.6	Very low	31.2	Very low	137 Å²	137	131.3 Å²	131.3	64%	0.64	77%	0.766	S	S	*	*			cis	-168.3	163.5	35.8	-151.9	123.5	-122.4	0	0	114.5
259	E	31.5	Very low	31	Very low	165 Å²	165	130.8 Å²	130.8	77%	0.771	77%	0.766	S	S	*	*			trans	30.3	130.6	151.5	-75	-168.3	153.4	0	0	127.7
260	V	30.9	Very low	31.2	Very low	133 Å²	133	129.8 Å²	129.8	81%	0.806	77%	0.765	S	S	*	*				75.7	172.9	123	-177.9	0	0	0	0	120.1
261	L	32	Very low	31.6	Very low	152 Å²	152	129.4 Å²	129.4	80%	0.796	77%	0.77	S	S	*	*			trans	-115.7	166.1	-153.9	-68.5	162.9	0	0	0	114.3
262	S	31.2	Very low	31.5	Very low	108 Å²	108	130 Å²	130	76%	0.755	77%	0.765	S	S	*	*			trans	74.1	160.2	160.2	-59.2	0	0	0	0	116.7
263	D	26.5	Very low	31.9	Very low	144 Å²	144	133.8 Å²	133.8	77%	0.77	77%	0.768	S	S	*	*			cis	-144.9	-177.5	10.9	-145.3	-25.6	0	0	0	114.3
264	N	33.4	Very low	31.7	Very low	145 Å²	145	135 Å²	135	78%	0.775	77%	0.768	S	S	*	*			trans	-92.9	147.4	-171.7	-70.8	-86	0	0	0	115.7
265	S	27.4	Very low	31.8	Very low	128 Å²	128	130.7 Å²	130.7	90%	0.895	76%	0.757	S	S	*	*			trans	-168.4	142	142.4	-83.2	0	0	0	0	109.8
266	G	28.3	Very low	32.1	Very low	82 Å²	82	134.4 Å²	134.4	85%	0.845	77%	0.765	S	S	*	*			cis	170.7	143.5	-7.1	0	0	0	0	0	110.4
267	G	26.5	Very low	32.3	Very low	85 Å²	85	133 Å²	133	88%	0.876	76%	0.764	S	S	*	*			trans	163.3	135.6	178.4	0	0	0	0	0	113.2
268	S	30.3	Very low	32.4	Very low	118 Å²	118	133.9 Å²	133.9	83%	0.825	77%	0.767	S	S	*	*			trans	-153.6	-179.6	-171.9	-166.3	0	0	0	0	112.7
269	C	30.2	Very low	33	Very low	103 Å²	103	131.9 Å²	131.9	70%	0.696	77%	0.768	S	S	*	*			trans	86.5	102	160.2	-62.5	0	0	0	0	120.7
270	T	35.8	Very low	33.3	Very low	117 Å²	117	133.1 Å²	133.1	72%	0.718	77%	0.771	S	S	*	*			trans	75.3	161.8	142.1	74	0	0	0	0	117.5	V272	T270-V272 HydrophobicContact CG2-CG2 4.07Å
271	P	44.8	Very low	33.7	Very low	129 Å²	129	133.2 Å²	133.2	84%	0.838	77%	0.767	S	S	*	*				-113.5	176.5	69.1	38.7	-37.3	0	0	0	115.2
272	V	32.8	Very low	34	Very low	108 Å²	108	132.8 Å²	132.8	66%	0.655	77%	0.77	S	S	*	*			trans	-134.6	135	-175.3	167.6	0	0	0	0	110	T270	T270-V272 HydrophobicContact CG2-CG2 4.07Å
273	R	35.4	Very low	34.5	Very low	219 Å²	219	133.9 Å²	133.9	83%	0.826	76%	0.763	S	S	*	*			trans	65	161.1	166.2	-75.6	173.2	118.3	154.2	6.5	116.1
274	D	32.8	Very low	35.4	Very low	116 Å²	116	132.2 Å²	132.2	62%	0.62	76%	0.763	S	S	*	*			cis	-151	174.1	-6.7	-129	-38	0	0	0	112.1
275	S	35.7	Very low	36.2	Very low	85 Å²	85	135.2 Å²	135.2	59%	0.594	76%	0.764	S	S	*	*			trans	70.6	114.6	148.7	-76.9	0	0	0	0	123.8
276	H	36.5	Very low	37.7	Very low	163 Å²	163	140.2 Å²	140.2	76%	0.755	76%	0.763	S	S	*	*				71.9	126.9	126.2	-65.1	96.1	0	0	0	123.6
277	N	33.5	Very low	39.1	Very low	149 Å²	149	146.7 Å²	146.7	80%	0.797	77%	0.768	S	S	*	*			trans	81.6	113.3	144	-75	-25.5	0	0	0	123.8
278	R	33.7	Very low	40.9	Very low	225 Å²	225	147.4 Å²	147.4	85%	0.849	76%	0.755	S	S	*	*				84.2	76.7	120	-159.3	177.2	-177.8	-134.8	5.4	121.5
279	S	43.9	Very low	42.3	Very low	95 Å²	95	144.9 Å²	144.9	66%	0.664	74%	0.738	S	S	*	*				74.9	156.1	124.5	78.2	0	0	0	0	122.8
280	K	38	Very low	43.8	Very low	191 Å²	191	145.6 Å²	145.6	83%	0.83	74%	0.741	S	S	*	*			trans	90.1	89.2	164	-61.3	-175.4	179.1	-177.1	0	119.6
281	N	38.3	Very low	44.6	Very low	135 Å²	135	150.4 Å²	150.4	72%	0.722	75%	0.748	S	S	*	*				28.9	111.4	124.7	-174.3	-3	0	0	0	119.1	E283	N281-E283 PolarHBondContact OD1-N 3.15Å
282	V	39.4	Very low	45.2	Very low	144 Å²	144	151.8 Å²	151.8	87%	0.873	74%	0.741	S	S	*	*			trans	-132.4	126.5	138.5	179.9	0	0	0	0	108.7	S284	V282-S284 PolarHBondContact O-N 3.45Å
283	E	42.4	Very low	46.3	Very low	130 Å²	130	149.8 Å²	149.8	61%	0.607	73%	0.732	S	S	*	*			trans	-79.4	104	-171.8	176.7	97.2	169.7	0	0	113.1	N281 R285	N281-E283 PolarHBondContact OD1-N 3.15Å; E283-R285 HydrophobicContact CG-CG 3.5Å; E283-R285 VanDerWaalsContact CG-CG 3.5Å; E283-R285 PolarHBondContact O-N 3.02Å; E283-R285 IonicContact OE1-NE 3.61Å
284	S	44.1	Very low	47.4	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	73%	0.734	S	S	*	*			trans	-80.2	77.6	173.3	67.7	0	0	0	0	112.3	V282 R286	V282-S284 PolarHBondContact O-N 3.45Å; S284-R286 PolarHBondContact O-N 3.36Å; S284-R286 VanDerWaalsContact O-N 3.15Å
285	R	51.2	Low	48.4	Very low	208 Å²	208	147.7 Å²	147.7	79%	0.785	74%	0.743	S	S	*	*			trans	-62.2	114.4	-179.4	-69.6	-162.9	164.6	-178.9	-0.9	112.7	E283	E283-R285 HydrophobicContact CG-CG 3.5Å; E283-R285 VanDerWaalsContact CG-CG 3.5Å; E283-R285 PolarHBondContact O-N 3.02Å; E283-R285 IonicContact OE1-NE 3.61Å
286	R	59.2	Low	48.9	Very low	233 Å²	233	149.2 Å²	149.2	88%	0.879	75%	0.752	S	S	*	*			trans	-71.4	142	171.4	-65.9	-177.3	178.7	-180	-0.8	110.4	S284 T288	S284-R286 PolarHBondContact O-N 3.36Å; S284-R286 VanDerWaalsContact O-N 3.15Å; R286-T288 PolarHBondContact O-N 3.48Å; R286-T288 VanDerWaalsContact O-N 3.12Å
287	K	57.6	Low	49.6	Very low	217 Å²	217	148.8 Å²	148.8	94%	0.943	75%	0.754	S	S	*	*			trans	-72.7	98.9	-172	-61.2	174.4	-177.8	176.4	0	111.5
288	T	63	Low	50.7	Low	100 Å²	100	150.8 Å²	150.8	61%	0.613	76%	0.756	S	S	*	*			trans	-77.8	141.1	160.5	57.6	0	0	0	0	109.4	R286	R286-T288 PolarHBondContact O-N 3.48Å; R286-T288 VanDerWaalsContact O-N 3.12Å
289	S	59.6	Low	51.7	Low	65 Å²	65	147.8 Å²	147.8	46%	0.455	76%	0.757	S	S	.	*			trans	-64.9	153.3	174	59.2	0	0	0	0	111.2	Y291 F292	S289-Y291 PolarHBondContact O-N 3.33Å; S289-F292 PolarHBondContact O-N 3.47Å
290	P	61.5	Low	51.7	Low	119 Å²	119	146 Å²	146	77%	0.773	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-55.3	-32.5	-171.8	-28.9	36.3	0	0	0	114.5	F292 S293	P290-F292 VanDerWaalsContact C-N 3.3Å; P290-F292 PolarHBondContact O-N 3.15Å; P290-S293 PolarHBondContact O-N 3.16Å; P290-S293 PolarHBondContact O-OG 3.39Å
291	Y	53.4	Low	52.7	Low	218 Å²	218	145 Å²	145	86%	0.855	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-72.7	-16.7	-179.1	-149.3	-94.8	0	0	0	114.4	S289	S289-Y291 PolarHBondContact O-N 3.33Å
292	F	56.9	Low	53.2	Low	157 Å²	157	143.5 Å²	143.5	69%	0.689	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-109.1	17.1	178.9	-76.1	-89.8	0	0	0	112.9	S289 P290 A294	S289-F292 PolarHBondContact O-N 3.47Å; P290-F292 VanDerWaalsContact C-N 3.3Å; P290-F292 PolarHBondContact O-N 3.15Å; F292-A294 PolarHBondContact O-N 2.92Å
293	S	56	Low	54.1	Low	67 Å²	67	142 Å²	142	47%	0.469	75%	0.749	S	S	.	*			trans	-72.2	115.6	174.6	62	0	0	0	0	111.2	P290 K295	P290-S293 PolarHBondContact O-N 3.16Å; P290-S293 PolarHBondContact O-OG 3.39Å; S293-K295 VanDerWaalsContact C-N 3.26Å; S293-K295 PolarHBondContact O-N 2.88Å
294	A	57.9	Low	54.6	Low	105 Å²	105	141.8 Å²	141.8	87%	0.868	76%	0.759	S	S	*	*			trans	-75.2	66.4	-173.2	0	0	0	0	0	113.6	F292 C296	F292-A294 PolarHBondContact O-N 2.92Å; A294-C296 PolarHBondContact O-N 3.45Å; A294-C296 VanDerWaalsContact O-N 3.11Å
295	K	53.8	Low	55.1	Low	186 Å²	186	147.4 Å²	147.4	81%	0.809	76%	0.764	S	S	*	*			trans	-75.6	90.4	164.2	-73.9	-173	178	-179.1	0	109.5	S293 L297	S293-K295 VanDerWaalsContact C-N 3.26Å; S293-K295 PolarHBondContact O-N 2.88Å; K295-L297 PolarHBondContact O-N 3.27Å
296	C	46.2	Very low	55.2	Low	117 Å²	117	149.1 Å²	149.1	79%	0.791	77%	0.77	S	S	*	*			trans	-68.8	92.6	169.8	-174.9	0	0	0	0	109.7	A294 K298	A294-C296 PolarHBondContact O-N 3.45Å; A294-C296 VanDerWaalsContact O-N 3.11Å; C296-K298 PolarHBondContact O-N 2.91Å
297	L	52.2	Low	55	Low	153 Å²	153	147.4 Å²	147.4	80%	0.801	77%	0.769	S	S	*	*			trans	-67	122	160.8	-70.3	174.4	0	0	0	107.6	K295 D299	K295-L297 PolarHBondContact O-N 3.27Å; L297-D299 PolarHBondContact O-N 3.1Å
298	K	55.9	Low	54.8	Low	191 Å²	191	141.9 Å²	141.9	83%	0.83	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-7.8	-163.8	-150.5	175.5	179.6	-175	0	114.3	C296	C296-K298 PolarHBondContact O-N 2.91Å
299	D	54.4	Low	54.3	Low	162 Å²	162	145.2 Å²	145.2	87%	0.866	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	24	-177.2	-59.4	-73.7	0	0	0	113	L297 L301	L297-D299 PolarHBondContact O-N 3.1Å; D299-L301 PolarHBondContact O-N 2.94Å
300	G	45.7	Very low	54.5	Low	57 Å²	57	152.4 Å²	152.4	59%	0.588	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.2	116.6	167	0	0	0	0	0	111.1	S302	G300-S302 PolarHBondContact O-N 3.33Å
301	L	57.3	Low	55.6	Low	171 Å²	171	155.4 Å²	155.4	90%	0.895	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-50.6	127.1	165.1	-72.5	175.7	0	0	0	108.8	D299	D299-L301 PolarHBondContact O-N 2.94Å
302	S	50.6	Low	57.4	Low	103 Å²	103	146.1 Å²	146.1	72%	0.72	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-49.8	130.9	-174.3	-70.1	0	0	0	0	110.8	G300	G300-S302 PolarHBondContact O-N 3.33Å
303	P	56.7	Low	59.2	Low	112 Å²	112	142.8 Å²	142.8	73%	0.727	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-47.6	129.5	178.7	-29.4	34.9	0	0	0	110	R305	P303-R305 PolarHBondContact O-N 2.86Å
304	P	54.3	Low	61	Low	126 Å²	126	139.8 Å²	139.8	82%	0.818	72%	0.724	S	S	*	*			trans	-50.1	111.7	-170.7	-30.5	35.1	0	0	0	110.1	R306	P304-R306 VanDerWaalsContact C-N 3.32Å; P304-R306 PolarHBondContact O-N 3.39Å
305	R	53.9	Low	62.8	Low	229 Å²	229	135.8 Å²	135.8	86%	0.864	69%	0.689	S	S	*	*			trans	-59.3	99.9	-175.9	-68.3	-177.9	76.9	-173.2	6.2	106.6	P303 K307	P303-R305 PolarHBondContact O-N 2.86Å; R305-K307 PolarHBondContact O-N 3.2Å
306	R	54	Low	64.8	Low	244 Å²	244	133.4 Å²	133.4	92%	0.921	68%	0.675	S	S	*	*			trans	-51.8	112	175.4	-69.7	-175.3	-174.9	171.5	2.2	105.1	P304 S308	P304-R306 VanDerWaalsContact C-N 3.32Å; P304-R306 PolarHBondContact O-N 3.39Å; R306-S308 VanDerWaalsContact C-N 3.34Å; R306-S308 PolarHBondContact O-N 3.28Å
307	K	54.3	Low	67.1	Low	196 Å²	196	128.1 Å²	128.1	85%	0.852	64%	0.64	S	S	*	*			trans	-59.5	105.7	177.6	-66.3	178.2	-178.1	177.4	0	104.7	R305 L309	R305-K307 PolarHBondContact O-N 3.2Å; K307-L309 PolarHBondContact O-N 2.8Å; K307-L309 VanDerWaalsContact O-N 3.08Å
308	S	52.3	Low	69.2	Low	101 Å²	101	125 Å²	125	71%	0.706	63%	0.628	S	S	*	*			trans	-53.1	122.1	170.8	42.9	0	0	0	0	105.6	R306 R310	R306-S308 VanDerWaalsContact C-N 3.34Å; R306-S308 PolarHBondContact O-N 3.28Å; S308-R310 PolarHBondContact O-N 3.31Å
309	L	52.7	Low	71.1	Confident	171 Å²	171	119.9 Å²	119.9	90%	0.895	61%	0.606	S	S	*	*			trans	-53.2	110.5	-178.6	-64.7	175.5	0	0	0	106.4	K307 K311	K307-L309 PolarHBondContact O-N 2.8Å; K307-L309 VanDerWaalsContact O-N 3.08Å; L309-K311 PolarHBondContact O-N 3.2Å
310	R	65.3	Low	73	Confident	215 Å²	215	117.5 Å²	117.5	81%	0.811	59%	0.593	S	S	*	*			trans	-67.6	107.3	-171.4	-76.9	-171	178.5	-96.5	8.7	106.2	S308 W312	S308-R310 PolarHBondContact O-N 3.31Å; R310-W312 PolarHBondContact O-N 2.73Å
311	K	83.3	Confident	75.4	Confident	183 Å²	183	115.2 Å²	115.2	80%	0.796	57%	0.568	S	S	*	*			trans	-64.8	112	175.7	-173.9	172.1	-178.6	176.5	0	107.1	L309 T313	L309-K311 PolarHBondContact O-N 3.2Å; K311-T313 PolarHBondContact O-N 3.37Å; K311-T313 PolarHBondContact O-OG1 3.07Å
312	W	91.8	Very high	77.2	Confident	22 Å²	22	107.9 Å²	107.9	8%	0.083	53%	0.529	C	S	.	.			trans	-47.8	132.5	179.8	177.5	-120	0	0	0	110.4	R310 P314 I421 F422 V424 E425 W427 I453	R310-W312 PolarHBondContact O-N 2.73Å; W312-P314 HydrophobicContact CZ2-CB 4.21Å; W312-I421 WeakPolarHBondContact CZ2-O 3.49Å; W312-I421 PolarHBondContact NE1-O 2.66Å; W312-F422 PolarHBondContact NE1-O 2.84Å; W312-V424 PolarHBondContact NE1-O 2.9Å; W312-E425 HydrophobicContact CB-CB 4.12Å; W312-E425 HydrophobicContact CD2-CB 3.97Å; W312-E425 HydrophobicContact CD2-CG 4.1Å; W312-E425 HydrophobicContact CE3-CB 3.95Å; W312-E425 HydrophobicContact CE3-CG 3.55Å; W312-E425 HydrophobicContact CG-CB 4.05Å; W312-E425 HydrophobicContact CZ3-CG 3.99Å; W312-W427 AromaticContact CH2-CD1 3.29Å; W312-W427 HydrophobicContact CH2-CG 4.26Å; W312-W427 AromaticContact CH2-NE1 3.35Å; W312-W427 VanDerWaalsContact CH2-NE1 3.35Å; W312-W427 AromaticContact CZ2-CD1 3.53Å; W312-W427 HydrophobicContact CZ2-CG 4.3Å; W312-W427 AromaticContact CZ3-CD1 3.95Å; W312-W427 AromaticContact CZ3-NE1 3.78Å; W312-I453 HydrophobicContact CH2-CD1 4.16Å; W312-I453 HydrophobicContact CZ3-CB 4.29Å; W312-I453 HydrophobicContact CZ3-CD1 4.39Å; W312-I453 HydrophobicContact CZ3-CG2 4.42Å
313	T	94.1	Very high	79.4	Confident	88 Å²	88	103.2 Å²	103.2	54%	0.54	50%	0.496	S	S	.	.			trans	-138.2	97.8	179.8	-60.2	0	0	0	0	106.1	K311 F327	K311-T313 PolarHBondContact O-N 3.37Å; K311-T313 PolarHBondContact O-OG1 3.07Å; T313-F327 HydrophobicContact CG2-CE2 4.3Å; T313-F327 HydrophobicContact CG2-CZ 4Å
314	P	94.3	Very high	81.3	Confident	3 Å²	3	98 Å²	98	2%	0.019	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-60.3	129.6	-179.3	24.7	-34	0	0	0	109.9	W312 F327 F422 Y440	W312-P314 HydrophobicContact CZ2-CB 4.21Å; P314-F327 VanDerWaalsContact CD-CD2 3.41Å; P314-F327 HydrophobicContact CG-CB 3.82Å; P314-F327 HydrophobicContact CG-CD1 3.63Å; P314-F327 HydrophobicContact CG-CD2 3.76Å; P314-F327 HydrophobicContact CG-CE1 4.09Å; P314-F327 HydrophobicContact CG-CE2 4.21Å; P314-F327 HydrophobicContact CG-CG 3.44Å; P314-F327 VanDerWaalsContact CG-CG 3.44Å; P314-F327 HydrophobicContact CG-CZ 4.35Å; P314-F422 HydrophobicContact CB-CD1 3.63Å; P314-F422 HydrophobicContact CB-CE1 4.17Å; P314-F422 HydrophobicContact CB-CG 4.49Å; P314-F422 WeakPolarHBondContact CD-O 3.32Å; P314-F422 HydrophobicContact CG-CB 4.33Å; P314-F422 HydrophobicContact CG-CD1 3.73Å; P314-F422 WeakPolarHBondContact CG-O 3.31Å; P314-Y440 WeakPolarHBondContact CB-OH 3.2Å
315	P	95.1	Very high	83.3	Confident	21 Å²	21	94.7 Å²	94.7	14%	0.136	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-69.6	148.7	-177.8	30.1	-37.5	0	0	0	111.7	Y440 W443 L444 L451 I453	P315-Y440 WeakPolarHBondContact CD-OH 3.46Å; P315-Y440 PolarHBondContact O-OH 2.86Å; P315-W443 HydrophobicContact CB-CH2 4.09Å; P315-W443 HydrophobicContact CB-CZ3 4.45Å; P315-W443 HydrophobicContact CG-CH2 4.08Å; P315-W443 HydrophobicContact CG-CZ3 3.99Å; P315-L444 HydrophobicContact CG-CD1 3.41Å; P315-L444 VanDerWaalsContact CG-CD1 3.41Å; P315-L451 HydrophobicContact CB-CD1 3.74Å; P315-L451 HydrophobicContact CG-CD1 3.76Å; P315-I453 HydrophobicContact CG-CD1 3.78Å
316	R	95.8	Very high	85.4	Confident	136 Å²	136	84.3 Å²	84.3	51%	0.513	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-73.1	131.6	178.8	-61.1	-54.7	-54.5	-96.3	-10.3	110.9	E324 W443	R316-E324 WeakPolarHBondContact CA-OE2 3.3Å; R316-E324 IonicContact CZ-OE2 3.61Å; R316-E324 IonicContact NE-OE2 2.81Å; R316-E324 PolarHBondContact NE-OE2 3.25Å; R316-E324 IonicContact NH2-OE2 3.57Å; R316-W443 WeakPolarHBondContact O-CH2 3.46Å
317	S	95.8	Very high	87.4	Confident	7 Å²	7	73.9 Å²	73.9	5%	0.049	36%	0.363	C	S	.	.			trans	-108.8	160	-173.7	90.2	0	0	0	0	111.8	F319 N320 E324	S317-F319 PolarHBondContact O-N 3.23Å; S317-F319 VanDerWaalsContact O-N 3.14Å; S317-F319 WeakPolarHBondContact OG-CB 3.23Å; S317-F319 WeakPolarHBondContact OG-CD2 3.27Å; S317-F319 PolarHBondContact OG-N 2.9Å; S317-N320 PolarHBondContact O-N 2.97Å; S317-E324 WeakPolarHBondContact CB-OE1 3.31Å; S317-E324 PolarHBondContact N-OE2 3.24Å; S317-E324 PolarHBondContact OG-OE1 3.44Å
318	P	96.3	Very high	89.3	Confident	86 Å²	86	71.2 Å²	71.2	56%	0.558	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.5	171.8	27.1	-35.4	0	0	0	113.2	N320	P318-N320 PolarHBondContact O-ND2 3.36Å; P318-N320 VanDerWaalsContact O-ND2 3.15Å
319	F	94.6	Very high	91.4	Very high	85 Å²	85	68.7 Å²	68.7	37%	0.373	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.3	-177.2	-47.6	-60.8	0	0	0	114.1	S317 L321 K439 W443	S317-F319 PolarHBondContact O-N 3.23Å; S317-F319 VanDerWaalsContact O-N 3.14Å; S317-F319 WeakPolarHBondContact OG-CB 3.23Å; S317-F319 WeakPolarHBondContact OG-CD2 3.27Å; S317-F319 PolarHBondContact OG-N 2.9Å; F319-L321 HydrophobicContact CB-CD2 4.09Å; F319-L321 HydrophobicContact CB-CG 4.32Å; F319-L321 PolarHBondContact O-N 3.3Å; F319-K439 HydrophobicContact CD1-CB 4.4Å; F319-K439 HydrophobicContact CD2-CB 4.18Å; F319-K439 HydrophobicContact CE1-CB 4.21Å; F319-K439 HydrophobicContact CE1-CD 4.43Å; F319-K439 HydrophobicContact CE2-CB 3.97Å; F319-K439 VanDerWaalsContact CE2-O 3.23Å; F319-K439 WeakPolarHBondContact CE2-O 3.24Å; F319-K439 HydrophobicContact CG-CB 4.39Å; F319-K439 HydrophobicContact CZ-CB 3.98Å; F319-W443 HydrophobicContact CE2-CB 3.73Å; F319-W443 HydrophobicContact CE2-CG 4.13Å; F319-W443 HydrophobicContact CZ-CB 4.38Å
320	N	94.3	Very high	93.5	Very high	111 Å²	111	62.6 Å²	62.6	59%	0.594	30%	0.302	S	S	*	.			trans	47.8	54.5	177.5	-69.6	-85.8	0	0	0	112.8	S317 P318 E324	S317-N320 PolarHBondContact O-N 2.97Å; P318-N320 PolarHBondContact O-ND2 3.36Å; P318-N320 VanDerWaalsContact O-ND2 3.15Å; N320-E324 WeakPolarHBondContact CA-OE1 3.47Å; N320-E324 PolarHBondContact N-OE1 2.99Å
321	L	95.9	Very high	95.1	Very high	10 Å²	10	52.6 Å²	52.6	5%	0.052	26%	0.264	C	S	.	.			trans	-69.5	140.4	176.6	-56.4	-168.5	0	0	0	110.1	F319 Q323 E324 F422 K436 Y440	F319-L321 HydrophobicContact CB-CD2 4.09Å; F319-L321 HydrophobicContact CB-CG 4.32Å; F319-L321 PolarHBondContact O-N 3.3Å; L321-Q323 PolarHBondContact O-N 3.31Å; L321-Q323 VanDerWaalsContact O-N 3.15Å; L321-E324 HydrophobicContact CB-CG 4.24Å; L321-E324 PolarHBondContact N-OE1 2.99Å; L321-E324 VanDerWaalsContact O-CB 3.24Å; L321-E324 WeakPolarHBondContact O-CB 3.17Å; L321-E324 WeakPolarHBondContact O-CG 3.4Å; L321-E324 PolarHBondContact O-N 2.9Å; L321-F422 HydrophobicContact CD1-CZ 4.26Å; L321-K436 HydrophobicContact CD2-CB 3.91Å; L321-K436 HydrophobicContact CD2-CD 4.06Å; L321-K436 HydrophobicContact CD2-CG 4.44Å; L321-Y440 HydrophobicContact CD1-CD2 4.3Å; L321-Y440 HydrophobicContact CD1-CG 4.1Å
322	I	96.5	Very high	95.8	Very high	17 Å²	17	46 Å²	46	9%	0.087	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.9	179.9	-165.9	69	0	0	0	111.9	E324 T325 L326 A336 L340 I349 L352 W353	I322-E324 PolarHBondContact O-N 2.93Å; I322-T325 PolarHBondContact O-N 3.41Å; I322-T325 VanDerWaalsContact O-N 3.11Å; I322-T325 PolarHBondContact O-OG1 3.19Å; I322-L326 HydrophobicContact CG1-CD1 3.79Å; I322-L326 HydrophobicContact CG1-CG 4.27Å; I322-L326 PolarHBondContact O-N 3.4Å; I322-L326 VanDerWaalsContact O-N 3.14Å; I322-A336 HydrophobicContact CG2-CB 4.14Å; I322-L340 HydrophobicContact CG2-CD1 3.87Å; I322-I349 HydrophobicContact CB-CD1 4.29Å; I322-I349 HydrophobicContact CD1-CD1 4.42Å; I322-I349 HydrophobicContact CD1-CG1 4.41Å; I322-I349 HydrophobicContact CD1-CG2 4.11Å; I322-I349 HydrophobicContact CG1-CG1 4.49Å; I322-L352 HydrophobicContact CG1-CD2 4.26Å; I322-W353 HydrophobicContact CD1-CZ2 3.81Å
323	Q	97	Very high	96.1	Very high	5 Å²	5	45 Å²	45	2%	0.023	23%	0.232	C	C	.	.	H	α-helix	trans	-55.6	-36.1	169.8	-70	85.2	-17.8	0	0	113	L321 T325 L326 F327 L333 Y414 S418 F422	L321-Q323 PolarHBondContact O-N 3.31Å; L321-Q323 VanDerWaalsContact O-N 3.15Å; Q323-T325 PolarHBondContact O-N 2.89Å; Q323-L326 PolarHBondContact O-N 3.4Å; Q323-F327 PolarHBondContact O-N 3.46Å; Q323-F327 VanDerWaalsContact O-N 3.11Å; Q323-L333 HydrophobicContact CB-CD1 3.9Å; Q323-L333 HydrophobicContact CG-CD1 4.05Å; Q323-L333 HydrophobicContact CG-CG 4.17Å; Q323-Y414 PolarHBondContact NE2-OH 3.22Å; Q323-Y414 VanDerWaalsContact NE2-OH 3.15Å; Q323-S418 PolarHBondContact NE2-OG 3.23Å; Q323-F422 HydrophobicContact CB-CB 4.43Å; Q323-F422 HydrophobicContact CB-CD1 3.79Å; Q323-F422 HydrophobicContact CB-CD2 3.46Å; Q323-F422 VanDerWaalsContact CB-CD2 3.46Å; Q323-F422 HydrophobicContact CB-CE1 3.84Å; Q323-F422 HydrophobicContact CB-CE2 3.49Å; Q323-F422 VanDerWaalsContact CB-CE2 3.49Å; Q323-F422 HydrophobicContact CB-CG 3.62Å; Q323-F422 HydrophobicContact CB-CZ 3.7Å; Q323-F422 HydrophobicContact CG-CD2 3.86Å; Q323-F422 HydrophobicContact CG-CE2 3.92Å; Q323-F422 HydrophobicContact CG-CG 4.41Å
324	E	96.3	Very high	96.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-15.3	178.3	-59	171.4	-142.8	0	0	113.7	R316 S317 N320 L321 I322 F327 F422 Y440	R316-E324 WeakPolarHBondContact CA-OE2 3.3Å; R316-E324 IonicContact CZ-OE2 3.61Å; R316-E324 IonicContact NE-OE2 2.81Å; R316-E324 PolarHBondContact NE-OE2 3.25Å; R316-E324 IonicContact NH2-OE2 3.57Å; S317-E324 WeakPolarHBondContact CB-OE1 3.31Å; S317-E324 PolarHBondContact N-OE2 3.24Å; S317-E324 PolarHBondContact OG-OE1 3.44Å; N320-E324 WeakPolarHBondContact CA-OE1 3.47Å; N320-E324 PolarHBondContact N-OE1 2.99Å; L321-E324 HydrophobicContact CB-CG 4.24Å; L321-E324 PolarHBondContact N-OE1 2.99Å; L321-E324 VanDerWaalsContact O-CB 3.24Å; L321-E324 WeakPolarHBondContact O-CB 3.17Å; L321-E324 WeakPolarHBondContact O-CG 3.4Å; L321-E324 PolarHBondContact O-N 2.9Å; I322-E324 PolarHBondContact O-N 2.93Å; E324-F327 WeakPolarHBondContact O-CD1 3.37Å; E324-F327 WeakPolarHBondContact O-CE1 3.48Å; E324-F422 HydrophobicContact CB-CE1 4.45Å; E324-F422 HydrophobicContact CG-CE1 3.74Å; E324-F422 HydrophobicContact CG-CZ 4.38Å; E324-Y440 HydrophobicContact CG-CD2 4.4Å; E324-Y440 HydrophobicContact CG-CE2 3.95Å
325	T	96.3	Very high	96.4	Very high	58 Å²	58	40.7 Å²	40.7	36%	0.356	21%	0.205	S	C	.	.	H	α-helix	trans	-103.5	-27	175.9	60.2	0	0	0	0	112.6	I322 Q323	I322-T325 PolarHBondContact O-N 3.41Å; I322-T325 VanDerWaalsContact O-N 3.11Å; I322-T325 PolarHBondContact O-OG1 3.19Å; Q323-T325 PolarHBondContact O-N 2.89Å
326	L	96.8	Very high	96.6	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-99.3	-7.4	-173.5	-62.7	179.5	0	0	0	114.6	I322 Q323 H328 D329 K332 L333 A336 L352 W353 F356	I322-L326 HydrophobicContact CG1-CD1 3.79Å; I322-L326 HydrophobicContact CG1-CG 4.27Å; I322-L326 PolarHBondContact O-N 3.4Å; I322-L326 VanDerWaalsContact O-N 3.14Å; Q323-L326 PolarHBondContact O-N 3.4Å; L326-H328 PolarHBondContact O-N 3.45Å; L326-D329 CarbonylContact O-C 3.59Å; L326-D329 PolarHBondContact O-N 2.93Å; L326-K332 HydrophobicContact CD2-CB 4.24Å; L326-L333 HydrophobicContact CB-CB 4.05Å; L326-A336 HydrophobicContact CD1-CB 3.58Å; L326-L352 HydrophobicContact CD1-CD2 4.39Å; L326-W353 HydrophobicContact CD2-CH2 3.85Å; L326-W353 HydrophobicContact CD2-CZ3 4.23Å; L326-F356 HydrophobicContact CD1-CE2 4.05Å; L326-F356 HydrophobicContact CD1-CZ 4.46Å; L326-F356 HydrophobicContact CD2-CE2 4.32Å
327	F	95.9	Very high	96.6	Very high	24 Å²	24	33.3 Å²	33.3	11%	0.105	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.5	-175.8	75.5	-90	0	0	0	115.8	T313 P314 Q323 E324 D329 L333 F422	T313-F327 HydrophobicContact CG2-CE2 4.3Å; T313-F327 HydrophobicContact CG2-CZ 4Å; P314-F327 VanDerWaalsContact CD-CD2 3.41Å; P314-F327 HydrophobicContact CG-CB 3.82Å; P314-F327 HydrophobicContact CG-CD1 3.63Å; P314-F327 HydrophobicContact CG-CD2 3.76Å; P314-F327 HydrophobicContact CG-CE1 4.09Å; P314-F327 HydrophobicContact CG-CE2 4.21Å; P314-F327 HydrophobicContact CG-CG 3.44Å; P314-F327 VanDerWaalsContact CG-CG 3.44Å; P314-F327 HydrophobicContact CG-CZ 4.35Å; Q323-F327 PolarHBondContact O-N 3.46Å; Q323-F327 VanDerWaalsContact O-N 3.11Å; E324-F327 WeakPolarHBondContact O-CD1 3.37Å; E324-F327 WeakPolarHBondContact O-CE1 3.48Å; F327-D329 PolarHBondContact O-N 2.88Å; F327-L333 HydrophobicContact CB-CD1 4.18Å; F327-F422 HydrophobicContact CB-CB 3.96Å
328	H	95.3	Very high	96.7	Very high	141 Å²	141	33.1 Å²	33.1	65%	0.653	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.7	173.6	-63.1	-64.5	0	0	0	113.1	L326	L326-H328 PolarHBondContact O-N 3.45Å
329	D	96.6	Very high	96.7	Very high	48 Å²	48	29.1 Å²	29.1	26%	0.257	15%	0.147	S	C	.	.			trans	-127.5	97.7	-176.7	-177.8	-32.3	0	0	0	108.9	L326 F327 W331 K332 L333	L326-D329 CarbonylContact O-C 3.59Å; L326-D329 PolarHBondContact O-N 2.93Å; F327-D329 PolarHBondContact O-N 2.88Å; D329-W331 PolarHBondContact O-N 3.48Å; D329-W331 WeakPolarHBondContact OD1-CB 3.46Å; D329-W331 PolarHBondContact OD1-N 3.25Å; D329-K332 HydrophobicContact CB-CB 4.07Å; D329-K332 HydrophobicContact CB-CD 4.38Å; D329-K332 HydrophobicContact CB-CG 4.24Å; D329-K332 PolarHBondContact O-N 2.92Å; D329-K332 PolarHBondContact OD1-N 3.03Å; D329-K332 WeakPolarHBondContact OD2-CD 3.33Å; D329-K332 VanDerWaalsContact OD2-CG 3.31Å; D329-K332 WeakPolarHBondContact OD2-CG 3.41Å; D329-K332 IonicContact OD2-NZ 2.66Å; D329-K332 PolarHBondContact OD2-NZ 3.38Å; D329-L333 PolarHBondContact O-N 3.34Å
330	P	96.8	Very high	96.8	Very high	42 Å²	42	26.4 Å²	26.4	27%	0.273	14%	0.136	S	C	.	.	H	α-helix	trans	-59	-31.1	-178.3	-27.6	36.3	0	0	0	114.1	L334 F397 Y419 C423	P330-L334 WeakPolarHBondContact O-CB 3.45Å; P330-L334 WeakPolarHBondContact O-CD1 3.48Å; P330-L334 WeakPolarHBondContact O-CG 3.35Å; P330-L334 PolarHBondContact O-N 3.42Å; P330-F397 HydrophobicContact CB-CZ 4.47Å; P330-Y419 HydrophobicContact CB-CD2 4.19Å; P330-Y419 HydrophobicContact CB-CE2 3.93Å; P330-Y419 HydrophobicContact CG-CE2 4.39Å; P330-C423 HydrophobicContact CG-CB 4.42Å
331	W	98.1	Very high	96.7	Very high	6 Å²	6	24.5 Å²	24.5	2%	0.023	13%	0.127	C	C	.	.	H	α-helix	trans	-68.6	-49.5	177.7	175.2	81.5	0	0	0	110.3	D329 L333 L334 V335 F355 F356 Y359 A362 T365 F393 S394 F397	D329-W331 PolarHBondContact O-N 3.48Å; D329-W331 WeakPolarHBondContact OD1-CB 3.46Å; D329-W331 PolarHBondContact OD1-N 3.25Å; W331-L333 VanDerWaalsContact C-N 3.34Å; W331-L333 PolarHBondContact O-N 3.27Å; W331-L334 PolarHBondContact O-N 3.01Å; W331-L334 VanDerWaalsContact O-N 3.16Å; W331-V335 HydrophobicContact CD2-CG2 4.12Å; W331-V335 HydrophobicContact CH2-CG2 4.33Å; W331-V335 HydrophobicContact CZ2-CG2 3.73Å; W331-V335 WeakPolarHBondContact O-CG2 3.25Å; W331-V335 PolarHBondContact O-N 3.35Å; W331-F355 AromaticContact CH2-CE1 3.96Å; W331-F355 HydrophobicContact CH2-CE1 3.96Å; W331-F355 HydrophobicContact CH2-CZ 4.44Å; W331-F355 HydrophobicContact CZ2-CE1 4.42Å; W331-F356 HydrophobicContact CH2-CD1 4.35Å; W331-F356 HydrophobicContact CH2-CE1 4.27Å; W331-F356 HydrophobicContact CZ3-CD1 4.07Å; W331-F356 AromaticContact CZ3-CE1 3.97Å; W331-F356 HydrophobicContact CZ3-CE1 3.97Å; W331-Y359 WeakPolarHBondContact CH2-O 3.43Å; W331-A362 HydrophobicContact CD2-CB 4.13Å; W331-A362 HydrophobicContact CG-CB 3.95Å; W331-T365 VanDerWaalsContact CH2-OG1 3.28Å; W331-T365 WeakPolarHBondContact CH2-OG1 3.44Å; W331-T365 HydrophobicContact CZ2-CG2 3.99Å; W331-T365 WeakPolarHBondContact CZ2-OG1 3.5Å; W331-F393 AromaticContact CD1-CE1 3.43Å; W331-F393 VanDerWaalsContact CD1-CE1 3.43Å; W331-F393 HydrophobicContact CG-CE1 4.37Å; W331-F393 AromaticContact NE1-CE1 3.64Å; W331-S394 PolarHBondContact NE1-OG 2.76Å; W331-F397 HydrophobicContact CB-CD1 4.35Å; W331-F397 HydrophobicContact CB-CE1 3.84Å; W331-F397 HydrophobicContact CB-CE2 4.04Å; W331-F397 HydrophobicContact CB-CZ 3.67Å; W331-F397 HydrophobicContact CG-CE1 4.47Å
332	K	98.2	Very high	96.5	Very high	45 Å²	45	33.9 Å²	33.9	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-41	175.8	-69.8	-170.9	-179.8	78.2	0	112.2	L326 D329 L334 V335 A336 F356 P360	L326-K332 HydrophobicContact CD2-CB 4.24Å; D329-K332 HydrophobicContact CB-CB 4.07Å; D329-K332 HydrophobicContact CB-CD 4.38Å; D329-K332 HydrophobicContact CB-CG 4.24Å; D329-K332 PolarHBondContact O-N 2.92Å; D329-K332 PolarHBondContact OD1-N 3.03Å; D329-K332 WeakPolarHBondContact OD2-CD 3.33Å; D329-K332 VanDerWaalsContact OD2-CG 3.31Å; D329-K332 WeakPolarHBondContact OD2-CG 3.41Å; D329-K332 IonicContact OD2-NZ 2.66Å; D329-K332 PolarHBondContact OD2-NZ 3.38Å; K332-L334 VanDerWaalsContact C-N 3.33Å; K332-L334 PolarHBondContact O-N 3.13Å; K332-V335 PolarHBondContact O-N 2.78Å; K332-A336 WeakPolarHBondContact O-CB 3.41Å; K332-A336 PolarHBondContact O-N 3Å; K332-F356 HydrophobicContact CB-CE1 3.91Å; K332-F356 HydrophobicContact CB-CE2 4.08Å; K332-F356 HydrophobicContact CB-CZ 3.55Å; K332-F356 HydrophobicContact CD-CD1 4.15Å; K332-F356 HydrophobicContact CD-CD2 4.27Å; K332-F356 HydrophobicContact CD-CE1 4.19Å; K332-F356 HydrophobicContact CD-CE2 4.28Å; K332-F356 HydrophobicContact CD-CG 4.21Å; K332-F356 HydrophobicContact CD-CZ 4.25Å; K332-F356 HydrophobicContact CG-CD1 3.97Å; K332-F356 HydrophobicContact CG-CE1 3.58Å; K332-F356 HydrophobicContact CG-CE2 4.24Å; K332-F356 HydrophobicContact CG-CG 4.49Å; K332-F356 HydrophobicContact CG-CZ 3.73Å; K332-F356 WeakPolarHBondContact O-CZ 3.49Å; K332-P360 WeakPolarHBondContact CE-O 3.28Å; K332-P360 PolarHBondContact NZ-O 3.43Å
333	L	98	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-42.5	175.4	-176.7	144.2	0	0	0	111.7	Q323 L326 F327 D329 W331 A336 T337 F422	Q323-L333 HydrophobicContact CB-CD1 3.9Å; Q323-L333 HydrophobicContact CG-CD1 4.05Å; Q323-L333 HydrophobicContact CG-CG 4.17Å; L326-L333 HydrophobicContact CB-CB 4.05Å; F327-L333 HydrophobicContact CB-CD1 4.18Å; D329-L333 PolarHBondContact O-N 3.34Å; W331-L333 VanDerWaalsContact C-N 3.34Å; W331-L333 PolarHBondContact O-N 3.27Å; L333-A336 WeakPolarHBondContact O-CB 3.4Å; L333-A336 PolarHBondContact O-N 3.49Å; L333-T337 WeakPolarHBondContact O-CG2 3.42Å; L333-T337 PolarHBondContact O-N 2.9Å; L333-F422 HydrophobicContact CD1-CB 3.63Å; L333-F422 HydrophobicContact CD1-CG 4.31Å
334	L	98.1	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-70.5	-42.7	179	-72.6	165.6	0	0	0	112.2	P330 W331 K332 A336 T337 I338 F393 F397 P405 I411	P330-L334 WeakPolarHBondContact O-CB 3.45Å; P330-L334 WeakPolarHBondContact O-CD1 3.48Å; P330-L334 WeakPolarHBondContact O-CG 3.35Å; P330-L334 PolarHBondContact O-N 3.42Å; W331-L334 PolarHBondContact O-N 3.01Å; W331-L334 VanDerWaalsContact O-N 3.16Å; K332-L334 VanDerWaalsContact C-N 3.33Å; K332-L334 PolarHBondContact O-N 3.13Å; L334-A336 VanDerWaalsContact C-N 3.27Å; L334-A336 PolarHBondContact O-N 3.15Å; L334-T337 WeakPolarHBondContact O-CA 3.46Å; L334-T337 PolarHBondContact O-N 3Å; L334-T337 PolarHBondContact O-OG1 3.23Å; L334-I338 PolarHBondContact O-N 3.41Å; L334-F393 HydrophobicContact CB-CE1 4.1Å; L334-F393 HydrophobicContact CB-CE2 4.17Å; L334-F393 HydrophobicContact CB-CZ 3.46Å; L334-F393 VanDerWaalsContact CB-CZ 3.46Å; L334-F393 HydrophobicContact CD1-CE2 4.13Å; L334-F393 HydrophobicContact CD1-CZ 3.8Å; L334-F393 HydrophobicContact CG-CZ 4.26Å; L334-F397 HydrophobicContact CD1-CD2 4.44Å; L334-F397 HydrophobicContact CD1-CE2 4.15Å; L334-P405 HydrophobicContact CD1-CB 3.45Å; L334-P405 VanDerWaalsContact CD1-CB 3.45Å; L334-P405 HydrophobicContact CD1-CG 3.93Å; L334-P405 HydrophobicContact CD2-CB 3.84Å; L334-P405 HydrophobicContact CD2-CG 3.76Å; L334-P405 HydrophobicContact CG-CB 4.32Å; L334-P405 HydrophobicContact CG-CG 4.47Å; L334-I411 HydrophobicContact CB-CD1 4.04Å; L334-I411 HydrophobicContact CD2-CD1 3.97Å; L334-I411 HydrophobicContact CD2-CG1 4.28Å; L334-I411 HydrophobicContact CD2-CG2 3.99Å
335	V	98	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.4	-42.5	171.4	173.3	0	0	0	0	110.9	W331 K332 T337 I338 F339 L352 F355 F356 F393	W331-V335 HydrophobicContact CD2-CG2 4.12Å; W331-V335 HydrophobicContact CH2-CG2 4.33Å; W331-V335 HydrophobicContact CZ2-CG2 3.73Å; W331-V335 WeakPolarHBondContact O-CG2 3.25Å; W331-V335 PolarHBondContact O-N 3.35Å; K332-V335 PolarHBondContact O-N 2.78Å; V335-T337 VanDerWaalsContact C-N 3.27Å; V335-T337 PolarHBondContact O-N 3.39Å; V335-I338 WeakPolarHBondContact O-CA 3.48Å; V335-I338 WeakPolarHBondContact O-CB 3.48Å; V335-I338 PolarHBondContact O-N 2.79Å; V335-F339 HydrophobicContact CG1-CD2 3.79Å; V335-F339 HydrophobicContact CG1-CE2 3.8Å; V335-F339 WeakPolarHBondContact O-CD2 3.3Å; V335-F339 PolarHBondContact O-N 2.84Å; V335-L352 HydrophobicContact CG1-CD1 4.02Å; V335-F355 HydrophobicContact CG1-CD1 4.14Å; V335-F355 HydrophobicContact CG1-CE1 3.74Å; V335-F355 HydrophobicContact CG1-CZ 4.37Å; V335-F356 HydrophobicContact CB-CE1 4.11Å; V335-F356 HydrophobicContact CB-CZ 4.25Å; V335-F356 HydrophobicContact CG1-CE1 3.93Å; V335-F356 HydrophobicContact CG1-CZ 4.21Å; V335-F393 HydrophobicContact CG2-CD1 4.2Å; V335-F393 HydrophobicContact CG2-CE1 3.91Å
336	A	97.7	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-36.7	175	0	0	0	0	0	112.6	I322 L326 K332 L333 L334 F339 L340 L352	I322-A336 HydrophobicContact CG2-CB 4.14Å; L326-A336 HydrophobicContact CD1-CB 3.58Å; K332-A336 WeakPolarHBondContact O-CB 3.41Å; K332-A336 PolarHBondContact O-N 3Å; L333-A336 WeakPolarHBondContact O-CB 3.4Å; L333-A336 PolarHBondContact O-N 3.49Å; L334-A336 VanDerWaalsContact C-N 3.27Å; L334-A336 PolarHBondContact O-N 3.15Å; A336-F339 PolarHBondContact O-N 2.84Å; A336-L340 VanDerWaalsContact O-CG 3.31Å; A336-L340 WeakPolarHBondContact O-CG 3.31Å; A336-L340 PolarHBondContact O-N 3.04Å; A336-L352 HydrophobicContact CB-CD1 4.41Å; A336-L352 HydrophobicContact CB-CD2 3.6Å
337	T	97.2	Very high	95.9	Very high	3 Å²	3	49 Å²	49	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-68.9	-34	173.7	67.7	0	0	0	0	112.7	L333 L334 V335 L340 N341 Y414	L333-T337 WeakPolarHBondContact O-CG2 3.42Å; L333-T337 PolarHBondContact O-N 2.9Å; L334-T337 WeakPolarHBondContact O-CA 3.46Å; L334-T337 PolarHBondContact O-N 3Å; L334-T337 PolarHBondContact O-OG1 3.23Å; V335-T337 VanDerWaalsContact C-N 3.27Å; V335-T337 PolarHBondContact O-N 3.39Å; T337-L340 PolarHBondContact O-N 2.92Å; T337-N341 PolarHBondContact O-N 2.8Å; T337-Y414 HydrophobicContact CG2-CD1 4.4Å; T337-Y414 HydrophobicContact CG2-CE1 3.94Å
338	I	96.8	Very high	95.9	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-40.2	172.4	-58.4	169.1	0	0	0	110.9	L334 V335 L340 N341 R386 I390 F393 I411	L334-I338 PolarHBondContact O-N 3.41Å; V335-I338 WeakPolarHBondContact O-CA 3.48Å; V335-I338 WeakPolarHBondContact O-CB 3.48Å; V335-I338 PolarHBondContact O-N 2.79Å; I338-L340 PolarHBondContact O-N 2.98Å; I338-N341 WeakPolarHBondContact O-CB 3.38Å; I338-N341 PolarHBondContact O-N 3.05Å; I338-R386 HydrophobicContact CG2-CG 4.46Å; I338-I390 HydrophobicContact CB-CG1 4.35Å; I338-I390 HydrophobicContact CD1-CG1 4.04Å; I338-I390 HydrophobicContact CG2-CD1 4.01Å; I338-I390 HydrophobicContact CG2-CG1 3.83Å; I338-F393 HydrophobicContact CD1-CB 4.23Å; I338-F393 HydrophobicContact CD1-CD1 3.97Å; I338-F393 HydrophobicContact CD1-CG 3.95Å; I338-I411 HydrophobicContact CD1-CD1 3.86Å; I338-I411 HydrophobicContact CG1-CD1 3.87Å
339	F	96.5	Very high	95.9	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-64	-35.8	174.3	-95.4	-106.8	0	0	0	113.2	V335 A336 N341 T343 A348 V351 L352 F355 M377 L380 R386 I390	V335-F339 HydrophobicContact CG1-CD2 3.79Å; V335-F339 HydrophobicContact CG1-CE2 3.8Å; V335-F339 WeakPolarHBondContact O-CD2 3.3Å; V335-F339 PolarHBondContact O-N 2.84Å; A336-F339 PolarHBondContact O-N 2.84Å; F339-N341 VanDerWaalsContact C-N 3.35Å; F339-T343 WeakPolarHBondContact O-CB 3.42Å; F339-A348 HydrophobicContact CB-CB 4.45Å; F339-V351 HydrophobicContact CE1-CB 4.28Å; F339-V351 HydrophobicContact CE1-CG1 4.06Å; F339-L352 HydrophobicContact CB-CD1 4.23Å; F339-L352 HydrophobicContact CD1-CB 3.92Å; F339-L352 HydrophobicContact CD1-CD1 4.14Å; F339-L352 HydrophobicContact CD2-CD1 3.58Å; F339-L352 HydrophobicContact CE1-CB 4.08Å; F339-L352 HydrophobicContact CE1-CD1 4.36Å; F339-L352 HydrophobicContact CE2-CD1 3.81Å; F339-L352 HydrophobicContact CG-CB 4.31Å; F339-L352 HydrophobicContact CG-CD1 3.74Å; F339-L352 HydrophobicContact CZ-CD1 4.19Å; F339-F355 HydrophobicContact CE1-CB 4.48Å; F339-F355 HydrophobicContact CE2-CB 4.34Å; F339-F355 HydrophobicContact CE2-CD1 4.14Å; F339-F355 HydrophobicContact CE2-CD2 4.24Å; F339-F355 AromaticContact CE2-CG 3.95Å; F339-F355 HydrophobicContact CE2-CG 3.95Å; F339-F355 HydrophobicContact CZ-CB 3.66Å; F339-F355 HydrophobicContact CZ-CD1 4.3Å; F339-F355 HydrophobicContact CZ-CD2 4.04Å; F339-F355 AromaticContact CZ-CG 3.72Å; F339-F355 HydrophobicContact CZ-CG 3.72Å; F339-M377 HydrophobicContact CE1-CG 4.31Å; F339-M377 HydrophobicContact CE2-CE 3.74Å; F339-M377 HydrophobicContact CE2-SD 4.38Å; F339-M377 HydrophobicContact CZ-CE 3.64Å; F339-M377 HydrophobicContact CZ-CG 4.12Å; F339-M377 HydrophobicContact CZ-SD 4.17Å; F339-L380 HydrophobicContact CD1-CD1 3.79Å; F339-L380 HydrophobicContact CE1-CD1 3.95Å; F339-R386 PolarHBondContact O-NH1 3.34Å; F339-I390 HydrophobicContact CD2-CD1 4.1Å; F339-I390 HydrophobicContact CE2-CD1 3.84Å
340	L	95.9	Very high	95.9	Very high	28 Å²	28	44.9 Å²	44.9	15%	0.147	23%	0.231	C	C	.	.	H	α-helix	trans	-79.1	-13.1	179.9	-71	171.2	0	0	0	114.1	I322 A336 T337 I338 K342 T343 A348 Y414	I322-L340 HydrophobicContact CG2-CD1 3.87Å; A336-L340 VanDerWaalsContact O-CG 3.31Å; A336-L340 WeakPolarHBondContact O-CG 3.31Å; A336-L340 PolarHBondContact O-N 3.04Å; T337-L340 PolarHBondContact O-N 2.92Å; I338-L340 PolarHBondContact O-N 2.98Å; L340-K342 PolarHBondContact O-N 3.46Å; L340-T343 PolarHBondContact O-N 3.36Å; L340-A348 HydrophobicContact CD2-CB 4.24Å; L340-Y414 HydrophobicContact CB-CE1 4.34Å
341	N	93.9	Very high	95.9	Very high	72 Å²	72	44 Å²	44	39%	0.385	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	115.4	177.7	-79.9	-33.5	0	0	0	111.6	T337 I338 F339 T343 R386	T337-N341 PolarHBondContact O-N 2.8Å; I338-N341 WeakPolarHBondContact O-CB 3.38Å; I338-N341 PolarHBondContact O-N 3.05Å; F339-N341 VanDerWaalsContact C-N 3.35Å; N341-T343 PolarHBondContact O-N 3.34Å; N341-T343 PolarHBondContact O-OG1 3.45Å; N341-R386 PolarHBondContact O-NH1 2.74Å
342	K	91.5	Very high	95.9	Very high	206 Å²	206	43.8 Å²	43.8	90%	0.896	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	24.1	-177.7	-60.4	-177.3	178.7	177.7	0	114.9	L340	L340-K342 PolarHBondContact O-N 3.46Å
343	T	93.6	Very high	95.9	Very high	26 Å²	26	46.9 Å²	46.9	16%	0.16	24%	0.235	C	C	.	.	S	Bend	trans	-130.6	137.6	-170	-53	0	0	0	0	111	F339 L340 N341 G345 A348 L380 R386	F339-T343 WeakPolarHBondContact O-CB 3.42Å; L340-T343 PolarHBondContact O-N 3.36Å; N341-T343 PolarHBondContact O-N 3.34Å; N341-T343 PolarHBondContact O-OG1 3.45Å; T343-G345 PolarHBondContact O-N 2.84Å; T343-A348 HydrophobicContact CG2-CB 3.97Å; T343-L380 HydrophobicContact CG2-CB 4.29Å; T343-L380 HydrophobicContact CG2-CD2 4.21Å; T343-R386 VanDerWaalsContact OG1-CZ 3.29Å; T343-R386 PolarHBondContact OG1-NH1 2.75Å; T343-R386 PolarHBondContact OG1-NH2 3.19Å
344	S	93.9	Very high	95.8	Very high	73 Å²	73	49.8 Å²	49.8	51%	0.51	25%	0.252	S	S	.	.			trans	-66.7	126	176.1	-178.1	0	0	0	0	110.7	K346 M347 A348	S344-K346 PolarHBondContact O-N 3.22Å; S344-K346 VanDerWaalsContact O-N 3.1Å; S344-M347 PolarHBondContact O-N 3.14Å; S344-A348 PolarHBondContact O-N 3.41Å
345	G	93.2	Very high	95.8	Very high	8 Å²	8	49.8 Å²	49.8	8%	0.082	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-26.5	176.2	0	0	0	0	0	114	T343 M347 A348 I349	T343-G345 PolarHBondContact O-N 2.84Å; G345-M347 PolarHBondContact O-N 3.14Å; G345-A348 PolarHBondContact O-N 2.99Å; G345-I349 VanDerWaalsContact O-CB 3.31Å; G345-I349 WeakPolarHBondContact O-CB 3.5Å; G345-I349 WeakPolarHBondContact O-CD1 3.47Å; G345-I349 VanDerWaalsContact O-CG1 3.24Å; G345-I349 WeakPolarHBondContact O-CG1 3.47Å; G345-I349 PolarHBondContact O-N 3.09Å
346	K	94.2	Very high	95.7	Very high	185 Å²	185	50.5 Å²	50.5	80%	0.804	26%	0.255	S	S	*	.	H	α-helix	trans	-60.5	-32.3	173.3	-70	-169	174.7	-171.7	0	112.9	S344 P350	S344-K346 PolarHBondContact O-N 3.22Å; S344-K346 VanDerWaalsContact O-N 3.1Å; K346-P350 WeakPolarHBondContact O-CD 3.49Å
347	M	94.8	Very high	95.7	Very high	117 Å²	117	57.7 Å²	57.7	58%	0.576	29%	0.289	S	S	*	.	H	α-helix	trans	-93.7	-38.6	177.2	-55.5	-53.2	-64.7	0	0	111.8	S344 G345 L380	S344-M347 PolarHBondContact O-N 3.14Å; G345-M347 PolarHBondContact O-N 3.14Å; M347-L380 HydrophobicContact CB-CD2 3.95Å; M347-L380 WeakPolarHBondContact O-CD2 3.34Å
348	A	95.9	Very high	95.7	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-71.4	-38.3	-175.3	0	0	0	0	0	113.5	F339 L340 T343 S344 G345 V351 L352	F339-A348 HydrophobicContact CB-CB 4.45Å; L340-A348 HydrophobicContact CD2-CB 4.24Å; T343-A348 HydrophobicContact CG2-CB 3.97Å; S344-A348 PolarHBondContact O-N 3.41Å; G345-A348 PolarHBondContact O-N 2.99Å; A348-V351 PolarHBondContact O-N 2.71Å; A348-L352 VanDerWaalsContact O-CB 3.25Å; A348-L352 WeakPolarHBondContact O-CB 3.46Å; A348-L352 PolarHBondContact O-N 3.36Å
349	I	95.8	Very high	95.7	Very high	51 Å²	51	64.9 Å²	64.9	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-66.4	-43.5	-173	-67.8	168	0	0	0	113	I322 G345 V351 L352 W353	I322-I349 HydrophobicContact CB-CD1 4.29Å; I322-I349 HydrophobicContact CD1-CD1 4.42Å; I322-I349 HydrophobicContact CD1-CG1 4.41Å; I322-I349 HydrophobicContact CD1-CG2 4.11Å; I322-I349 HydrophobicContact CG1-CG1 4.49Å; G345-I349 VanDerWaalsContact O-CB 3.31Å; G345-I349 WeakPolarHBondContact O-CB 3.5Å; G345-I349 WeakPolarHBondContact O-CD1 3.47Å; G345-I349 VanDerWaalsContact O-CG1 3.24Å; G345-I349 WeakPolarHBondContact O-CG1 3.47Å; G345-I349 PolarHBondContact O-N 3.09Å; I349-V351 PolarHBondContact O-N 3.09Å; I349-L352 WeakPolarHBondContact O-CB 3.32Å; I349-L352 PolarHBondContact O-N 2.95Å; I349-W353 PolarHBondContact O-N 3.25Å
350	P	96.8	Very high	95.8	Very high	76 Å²	76	67.7 Å²	67.7	49%	0.494	33%	0.334	S	S	.	.	H	α-helix	trans	-58.5	-45	174.3	-26.9	35.8	0	0	0	113.2	K346 L352 W353 V354	K346-P350 WeakPolarHBondContact O-CD 3.49Å; P350-L352 VanDerWaalsContact C-N 3.33Å; P350-L352 PolarHBondContact O-N 3.12Å; P350-W353 PolarHBondContact O-N 2.96Å; P350-V354 PolarHBondContact O-N 2.88Å
351	V	96.9	Very high	95.8	Very high	23 Å²	23	68 Å²	68	14%	0.139	34%	0.338	C	S	.	.	H	α-helix	trans	-69.6	-31.4	179.4	-173.2	0	0	0	0	111.7	F339 A348 I349 V354 F355 L376 L380	F339-V351 HydrophobicContact CE1-CB 4.28Å; F339-V351 HydrophobicContact CE1-CG1 4.06Å; A348-V351 PolarHBondContact O-N 2.71Å; I349-V351 PolarHBondContact O-N 3.09Å; V351-V354 PolarHBondContact O-N 2.56Å; V351-F355 WeakPolarHBondContact O-CB 3.44Å; V351-F355 PolarHBondContact O-N 2.77Å; V351-L376 HydrophobicContact CG1-CD1 4.06Å; V351-L376 HydrophobicContact CG1-CG 3.97Å; V351-L376 WeakPolarHBondContact CG1-O 3.36Å; V351-L380 HydrophobicContact CB-CD1 4.13Å; V351-L380 HydrophobicContact CG1-CD1 4.15Å; V351-L380 HydrophobicContact CG2-CD1 4.46Å; V351-L380 HydrophobicContact CG2-CD2 4.12Å; V351-L380 HydrophobicContact CG2-CG 4.39Å
352	L	97.1	Very high	96	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-37.1	175	178.3	69.4	0	0	0	112.3	I322 L326 V335 A336 F339 A348 I349 P350 F355 F356	I322-L352 HydrophobicContact CG1-CD2 4.26Å; L326-L352 HydrophobicContact CD1-CD2 4.39Å; V335-L352 HydrophobicContact CG1-CD1 4.02Å; A336-L352 HydrophobicContact CB-CD1 4.41Å; A336-L352 HydrophobicContact CB-CD2 3.6Å; F339-L352 HydrophobicContact CB-CD1 4.23Å; F339-L352 HydrophobicContact CD1-CB 3.92Å; F339-L352 HydrophobicContact CD1-CD1 4.14Å; F339-L352 HydrophobicContact CD2-CD1 3.58Å; F339-L352 HydrophobicContact CE1-CB 4.08Å; F339-L352 HydrophobicContact CE1-CD1 4.36Å; F339-L352 HydrophobicContact CE2-CD1 3.81Å; F339-L352 HydrophobicContact CG-CB 4.31Å; F339-L352 HydrophobicContact CG-CD1 3.74Å; F339-L352 HydrophobicContact CZ-CD1 4.19Å; A348-L352 VanDerWaalsContact O-CB 3.25Å; A348-L352 WeakPolarHBondContact O-CB 3.46Å; A348-L352 PolarHBondContact O-N 3.36Å; I349-L352 WeakPolarHBondContact O-CB 3.32Å; I349-L352 PolarHBondContact O-N 2.95Å; P350-L352 VanDerWaalsContact C-N 3.33Å; P350-L352 PolarHBondContact O-N 3.12Å; L352-F355 WeakPolarHBondContact O-CB 3.43Å; L352-F355 PolarHBondContact O-N 2.7Å; L352-F356 HydrophobicContact CD1-CD2 4.33Å; L352-F356 HydrophobicContact CD1-CE1 4.17Å; L352-F356 HydrophobicContact CD1-CE2 3.61Å; L352-F356 HydrophobicContact CD1-CZ 3.5Å; L352-F356 VanDerWaalsContact CD1-CZ 3.5Å; L352-F356 HydrophobicContact CD2-CE2 4.04Å; L352-F356 HydrophobicContact CG-CD2 4.1Å; L352-F356 HydrophobicContact CG-CE2 3.56Å; L352-F356 HydrophobicContact CG-CZ 4.01Å; L352-F356 WeakPolarHBondContact O-CD2 3.46Å; L352-F356 WeakPolarHBondContact O-CG 3.2Å; L352-F356 PolarHBondContact O-N 3.36Å
353	W	97.4	Very high	96.3	Very high	110 Å²	110	59.4 Å²	59.4	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-69.6	-46.7	175.8	-67.5	120	0	0	0	111.9	I322 L326 I349 P350 F355 F356 E357	I322-W353 HydrophobicContact CD1-CZ2 3.81Å; L326-W353 HydrophobicContact CD2-CH2 3.85Å; L326-W353 HydrophobicContact CD2-CZ3 4.23Å; I349-W353 PolarHBondContact O-N 3.25Å; P350-W353 PolarHBondContact O-N 2.96Å; W353-F355 PolarHBondContact O-N 3.15Å; W353-F356 HydrophobicContact CE3-CD2 4Å; W353-F356 HydrophobicContact CZ3-CD2 4.17Å; W353-F356 PolarHBondContact O-N 3Å; W353-E357 WeakPolarHBondContact O-CG 3.02Å; W353-E357 PolarHBondContact O-N 2.61Å
354	V	97.4	Very high	96.5	Very high	60 Å²	60	61.3 Å²	61.3	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-31.5	173.2	-178.2	0	0	0	0	111.6	P350 V351 R358 L376	P350-V354 PolarHBondContact O-N 2.88Å; V351-V354 PolarHBondContact O-N 2.56Å; V354-R358 PolarHBondContact O-N 2.87Å; V354-L376 HydrophobicContact CB-CD1 4.22Å; V354-L376 HydrophobicContact CG1-CD1 3.68Å; V354-L376 HydrophobicContact CG1-CD2 4.35Å
355	F	97.3	Very high	96.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-47.4	170.7	172	-85.7	0	0	0	111.6	W331 V335 F339 V351 L352 W353 E357 R358 Y359 T365 M373 L376 M377 I390	W331-F355 AromaticContact CH2-CE1 3.96Å; W331-F355 HydrophobicContact CH2-CE1 3.96Å; W331-F355 HydrophobicContact CH2-CZ 4.44Å; W331-F355 HydrophobicContact CZ2-CE1 4.42Å; V335-F355 HydrophobicContact CG1-CD1 4.14Å; V335-F355 HydrophobicContact CG1-CE1 3.74Å; V335-F355 HydrophobicContact CG1-CZ 4.37Å; F339-F355 HydrophobicContact CE1-CB 4.48Å; F339-F355 HydrophobicContact CE2-CB 4.34Å; F339-F355 HydrophobicContact CE2-CD1 4.14Å; F339-F355 HydrophobicContact CE2-CD2 4.24Å; F339-F355 AromaticContact CE2-CG 3.95Å; F339-F355 HydrophobicContact CE2-CG 3.95Å; F339-F355 HydrophobicContact CZ-CB 3.66Å; F339-F355 HydrophobicContact CZ-CD1 4.3Å; F339-F355 HydrophobicContact CZ-CD2 4.04Å; F339-F355 AromaticContact CZ-CG 3.72Å; F339-F355 HydrophobicContact CZ-CG 3.72Å; V351-F355 WeakPolarHBondContact O-CB 3.44Å; V351-F355 PolarHBondContact O-N 2.77Å; L352-F355 WeakPolarHBondContact O-CB 3.43Å; L352-F355 PolarHBondContact O-N 2.7Å; W353-F355 PolarHBondContact O-N 3.15Å; F355-E357 VanDerWaalsContact C-N 3.32Å; F355-E357 PolarHBondContact O-N 3.33Å; F355-R358 PolarHBondContact O-N 3.16Å; F355-Y359 AromaticContact CD2-CD2 3.48Å; F355-Y359 HydrophobicContact CD2-CD2 3.48Å; F355-Y359 VanDerWaalsContact CD2-CD2 3.48Å; F355-Y359 HydrophobicContact CD2-CE2 4.07Å; F355-Y359 HydrophobicContact CD2-CG 4.39Å; F355-Y359 AromaticContact CE2-CD2 3.4Å; F355-Y359 HydrophobicContact CE2-CD2 3.4Å; F355-Y359 VanDerWaalsContact CE2-CD2 3.4Å; F355-Y359 HydrophobicContact CE2-CE2 4.09Å; F355-Y359 AromaticContact CE2-CG 3.97Å; F355-Y359 HydrophobicContact CE2-CG 3.97Å; F355-Y359 HydrophobicContact CG-CD2 4.18Å; F355-Y359 HydrophobicContact CZ-CD2 4.05Å; F355-Y359 HydrophobicContact CZ-CG 4.2Å; F355-Y359 WeakPolarHBondContact O-CA 3.41Å; F355-Y359 WeakPolarHBondContact O-CB 3.44Å; F355-Y359 WeakPolarHBondContact O-CD2 3.48Å; F355-Y359 PolarHBondContact O-N 2.85Å; F355-T365 HydrophobicContact CZ-CG2 4.05Å; F355-M373 HydrophobicContact CD2-CG 4.35Å; F355-M373 HydrophobicContact CE2-CE 4.07Å; F355-M373 HydrophobicContact CE2-CG 3.94Å; F355-M373 HydrophobicContact CE2-SD 3.88Å; F355-L376 HydrophobicContact CB-CD2 3.96Å; F355-M377 HydrophobicContact CD2-CE 3.64Å; F355-M377 HydrophobicContact CE2-CE 3.8Å; F355-I390 HydrophobicContact CE2-CG2 4.15Å; F355-I390 HydrophobicContact CZ-CG2 3.77Å
356	F	97.3	Very high	96.8	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-69.5	-25.2	178.1	-67	-39	0	0	0	114.1	L326 W331 K332 V335 L352 W353 Y359 P360	L326-F356 HydrophobicContact CD1-CE2 4.05Å; L326-F356 HydrophobicContact CD1-CZ 4.46Å; L326-F356 HydrophobicContact CD2-CE2 4.32Å; W331-F356 HydrophobicContact CH2-CD1 4.35Å; W331-F356 HydrophobicContact CH2-CE1 4.27Å; W331-F356 HydrophobicContact CZ3-CD1 4.07Å; W331-F356 AromaticContact CZ3-CE1 3.97Å; W331-F356 HydrophobicContact CZ3-CE1 3.97Å; K332-F356 HydrophobicContact CB-CE1 3.91Å; K332-F356 HydrophobicContact CB-CE2 4.08Å; K332-F356 HydrophobicContact CB-CZ 3.55Å; K332-F356 HydrophobicContact CD-CD1 4.15Å; K332-F356 HydrophobicContact CD-CD2 4.27Å; K332-F356 HydrophobicContact CD-CE1 4.19Å; K332-F356 HydrophobicContact CD-CE2 4.28Å; K332-F356 HydrophobicContact CD-CG 4.21Å; K332-F356 HydrophobicContact CD-CZ 4.25Å; K332-F356 HydrophobicContact CG-CD1 3.97Å; K332-F356 HydrophobicContact CG-CE1 3.58Å; K332-F356 HydrophobicContact CG-CE2 4.24Å; K332-F356 HydrophobicContact CG-CG 4.49Å; K332-F356 HydrophobicContact CG-CZ 3.73Å; K332-F356 WeakPolarHBondContact O-CZ 3.49Å; V335-F356 HydrophobicContact CB-CE1 4.11Å; V335-F356 HydrophobicContact CB-CZ 4.25Å; V335-F356 HydrophobicContact CG1-CE1 3.93Å; V335-F356 HydrophobicContact CG1-CZ 4.21Å; L352-F356 HydrophobicContact CD1-CD2 4.33Å; L352-F356 HydrophobicContact CD1-CE1 4.17Å; L352-F356 HydrophobicContact CD1-CE2 3.61Å; L352-F356 HydrophobicContact CD1-CZ 3.5Å; L352-F356 VanDerWaalsContact CD1-CZ 3.5Å; L352-F356 HydrophobicContact CD2-CE2 4.04Å; L352-F356 HydrophobicContact CG-CD2 4.1Å; L352-F356 HydrophobicContact CG-CE2 3.56Å; L352-F356 HydrophobicContact CG-CZ 4.01Å; L352-F356 WeakPolarHBondContact O-CD2 3.46Å; L352-F356 WeakPolarHBondContact O-CG 3.2Å; L352-F356 PolarHBondContact O-N 3.36Å; W353-F356 HydrophobicContact CE3-CD2 4Å; W353-F356 HydrophobicContact CZ3-CD2 4.17Å; W353-F356 PolarHBondContact O-N 3Å; F356-Y359 CarbonylContact O-C 3.57Å; F356-P360 VanDerWaalsContact O-CA 3.27Å; F356-P360 WeakPolarHBondContact O-CA 3.11Å
357	E	97.4	Very high	96.9	Very high	151 Å²	151	60.2 Å²	60.2	71%	0.706	30%	0.295	S	S	*	.	H	α-helix	trans	-66.1	-37.3	170.6	-72.7	165	-169.9	0	0	111.8	W353 F355	W353-E357 WeakPolarHBondContact O-CG 3.02Å; W353-E357 PolarHBondContact O-N 2.61Å; F355-E357 VanDerWaalsContact C-N 3.32Å; F355-E357 PolarHBondContact O-N 3.33Å
358	R	96.6	Very high	97	Very high	141 Å²	141	55.7 Å²	55.7	53%	0.532	28%	0.276	S	S	.	.	H	α-helix	trans	-87.6	-31.7	178.6	-171.8	173.4	-65.4	-169	-0.9	113.7	V354 F355	V354-R358 PolarHBondContact O-N 2.87Å; F355-R358 PolarHBondContact O-N 3.16Å
359	Y	97.3	Very high	97.1	Very high	16 Å²	16	59.1 Å²	59.1	6%	0.063	29%	0.294	C	S	.	.			trans	-131.5	78.2	-174.4	-53.1	-72.1	0	0	0	109	W331 F355 F356 S361 V364 A368 M373	W331-Y359 WeakPolarHBondContact CH2-O 3.43Å; F355-Y359 AromaticContact CD2-CD2 3.48Å; F355-Y359 HydrophobicContact CD2-CD2 3.48Å; F355-Y359 VanDerWaalsContact CD2-CD2 3.48Å; F355-Y359 HydrophobicContact CD2-CE2 4.07Å; F355-Y359 HydrophobicContact CD2-CG 4.39Å; F355-Y359 AromaticContact CE2-CD2 3.4Å; F355-Y359 HydrophobicContact CE2-CD2 3.4Å; F355-Y359 VanDerWaalsContact CE2-CD2 3.4Å; F355-Y359 HydrophobicContact CE2-CE2 4.09Å; F355-Y359 AromaticContact CE2-CG 3.97Å; F355-Y359 HydrophobicContact CE2-CG 3.97Å; F355-Y359 HydrophobicContact CG-CD2 4.18Å; F355-Y359 HydrophobicContact CZ-CD2 4.05Å; F355-Y359 HydrophobicContact CZ-CG 4.2Å; F355-Y359 WeakPolarHBondContact O-CA 3.41Å; F355-Y359 WeakPolarHBondContact O-CB 3.44Å; F355-Y359 WeakPolarHBondContact O-CD2 3.48Å; F355-Y359 PolarHBondContact O-N 2.85Å; F356-Y359 CarbonylContact O-C 3.57Å; Y359-S361 VanDerWaalsContact C-N 3.32Å; Y359-S361 PolarHBondContact O-N 3.2Å; Y359-V364 HydrophobicContact CD1-CG1 4.45Å; Y359-A368 HydrophobicContact CD1-CB 4.05Å; Y359-A368 HydrophobicContact CE1-CB 3.53Å; Y359-M373 HydrophobicContact CD1-CE 4.4Å; Y359-M373 HydrophobicContact CD2-CE 4.47Å; Y359-M373 HydrophobicContact CE1-CE 4.22Å; Y359-M373 HydrophobicContact CE2-CB 4.31Å; Y359-M373 HydrophobicContact CE2-CE 4.26Å; Y359-M373 HydrophobicContact CE2-CG 4.3Å
360	P	97.2	Very high	97.1	Very high	61 Å²	61	60.5 Å²	60.5	40%	0.396	30%	0.296	S	S	.	.			trans	-76.1	-14.8	-168	29.7	-36.7	0	0	0	114.4	K332 F356 V364	K332-P360 WeakPolarHBondContact CE-O 3.28Å; K332-P360 PolarHBondContact NZ-O 3.43Å; F356-P360 VanDerWaalsContact O-CA 3.27Å; F356-P360 WeakPolarHBondContact O-CA 3.11Å; P360-V364 HydrophobicContact CG-CG2 4.3Å
361	S	97.3	Very high	97.1	Very high	33 Å²	33	62.3 Å²	62.3	23%	0.231	30%	0.296	C	S	.	.	S	Bend	trans	-153.1	171.6	-176.2	77.8	0	0	0	0	112.8	Y359 E363 T365	Y359-S361 VanDerWaalsContact C-N 3.32Å; Y359-S361 PolarHBondContact O-N 3.2Å; S361-E363 VanDerWaalsContact C-N 3.32Å; S361-E363 WeakPolarHBondContact CB-OE2 3.31Å; S361-E363 PolarHBondContact O-N 2.74Å; S361-E363 PolarHBondContact OG-OE2 2.76Å; S361-T365 WeakPolarHBondContact O-CB 3.35Å; S361-T365 PolarHBondContact O-N 2.93Å; S361-T365 VanDerWaalsContact O-N 3.15Å; S361-T365 PolarHBondContact O-OG1 3.4Å
362	A	97.3	Very high	97.1	Very high	3 Å²	3	63.4 Å²	63.4	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-36.3	-179.1	0	0	0	0	0	112.6	W331 T365 R366 F397 L398	W331-A362 HydrophobicContact CD2-CB 4.13Å; W331-A362 HydrophobicContact CG-CB 3.95Å; A362-T365 PolarHBondContact O-N 3.26Å; A362-R366 WeakPolarHBondContact O-CG 3.49Å; A362-R366 PolarHBondContact O-N 2.92Å; A362-F397 HydrophobicContact CB-CD1 4.18Å; A362-L398 HydrophobicContact CB-CD1 3.72Å; A362-L398 HydrophobicContact CB-CD2 4.17Å; A362-L398 HydrophobicContact CB-CG 3.84Å
363	E	97.4	Very high	97	Very high	96 Å²	96	63.3 Å²	63.3	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-50	-179.2	-57.1	72.4	-159.8	0	0	110.8	S361 T365 R366 L398	S361-E363 VanDerWaalsContact C-N 3.32Å; S361-E363 WeakPolarHBondContact CB-OE2 3.31Å; S361-E363 PolarHBondContact O-N 2.74Å; S361-E363 PolarHBondContact OG-OE2 2.76Å; E363-T365 VanDerWaalsContact C-N 3.27Å; E363-T365 PolarHBondContact O-N 2.91Å; E363-R366 VanDerWaalsContact O-CG 3.27Å; E363-R366 WeakPolarHBondContact O-CG 3.34Å; E363-L398 HydrophobicContact CB-CD1 4.41Å; E363-L398 HydrophobicContact CG-CD1 3.79Å; E363-L398 WeakPolarHBondContact OE1-CD2 3.18Å
364	V	97.7	Very high	96.9	Very high	65 Å²	65	58.5 Å²	58.5	39%	0.394	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-32.5	175.8	-174.7	0	0	0	0	111.2	Y359 P360	Y359-V364 HydrophobicContact CD1-CG1 4.45Å; P360-V364 HydrophobicContact CG-CG2 4.3Å
365	T	97.3	Very high	96.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-76.7	-33.2	-175.5	-55.2	0	0	0	0	113.3	W331 F355 S361 A362 E363 E367 M373 I390 I391 S394	W331-T365 VanDerWaalsContact CH2-OG1 3.28Å; W331-T365 WeakPolarHBondContact CH2-OG1 3.44Å; W331-T365 HydrophobicContact CZ2-CG2 3.99Å; W331-T365 WeakPolarHBondContact CZ2-OG1 3.5Å; F355-T365 HydrophobicContact CZ-CG2 4.05Å; S361-T365 WeakPolarHBondContact O-CB 3.35Å; S361-T365 PolarHBondContact O-N 2.93Å; S361-T365 VanDerWaalsContact O-N 3.15Å; S361-T365 PolarHBondContact O-OG1 3.4Å; A362-T365 PolarHBondContact O-N 3.26Å; E363-T365 VanDerWaalsContact C-N 3.27Å; E363-T365 PolarHBondContact O-N 2.91Å; T365-E367 VanDerWaalsContact C-N 3.33Å; T365-M373 HydrophobicContact CG2-CE 3.9Å; T365-I390 HydrophobicContact CG2-CG2 3.63Å; T365-I391 WeakPolarHBondContact O-CG1 3.4Å; T365-S394 WeakPolarHBondContact CG2-OG 3.17Å
366	R	97	Very high	96.7	Very high	85 Å²	85	63.5 Å²	63.5	32%	0.321	31%	0.307	S	S	.	.	H	α-helix	trans	-73.2	-23.6	179.2	64	-179.5	-71.1	-114.1	2.4	113.7	A362 E363 D395 N399	A362-R366 WeakPolarHBondContact O-CG 3.49Å; A362-R366 PolarHBondContact O-N 2.92Å; E363-R366 VanDerWaalsContact O-CG 3.27Å; E363-R366 WeakPolarHBondContact O-CG 3.34Å; R366-D395 HydrophobicContact CB-CB 3.98Å; R366-D395 IonicContact CZ-OD1 3.19Å; R366-D395 IonicContact NE-OD1 2.66Å; R366-D395 PolarHBondContact NE-OD1 3.04Å; R366-D395 IonicContact NH2-OD1 3.22Å; R366-D395 PolarHBondContact NH2-OD1 3.31Å; R366-N399 PolarHBondContact NH2-ND2 2.95Å
367	E	96.6	Very high	96.6	Very high	159 Å²	159	62.8 Å²	62.8	74%	0.743	30%	0.304	S	S	*	.	S	Bend	trans	-90.9	-9.9	179.2	-62.9	-179.4	-178.8	0	0	113.2	T365	T365-E367 VanDerWaalsContact C-N 3.33Å
368	A	96.6	Very high	96.4	Very high	22 Å²	22	61.7 Å²	61.7	18%	0.182	30%	0.297	C	S	.	.	S	Bend	trans	-77.7	143.1	-177.3	0	0	0	0	0	113.7	Y359 M373 I391	Y359-A368 HydrophobicContact CD1-CB 4.05Å; Y359-A368 HydrophobicContact CE1-CB 3.53Å; A368-M373 HydrophobicContact CB-CE 3.99Å; A368-I391 VanDerWaalsContact O-CD1 3.24Å; A368-I391 WeakPolarHBondContact O-CD1 3.34Å
369	D	96.9	Very high	96.1	Very high	73 Å²	73	59.7 Å²	59.7	39%	0.39	30%	0.302	S	S	.	.			trans	-68.6	142.7	167.3	-174.9	24.7	0	0	0	111.2	K371 P372	D369-K371 VanDerWaalsContact C-N 3.29Å; D369-K371 PolarHBondContact O-N 3.06Å; D369-K371 WeakPolarHBondContact OD2-CB 3.41Å; D369-K371 VanDerWaalsContact OD2-CD 3.27Å; D369-K371 WeakPolarHBondContact OD2-CD 3.45Å; D369-K371 VanDerWaalsContact OD2-CG 3.29Å; D369-K371 WeakPolarHBondContact OD2-CG 3.33Å; D369-K371 IonicContact OD2-NZ 3.47Å; D369-P372 WeakPolarHBondContact O-CD 3.41Å
370	W	96.8	Very high	95.8	Very high	79 Å²	79	59.9 Å²	59.9	30%	0.299	30%	0.304	S	S	.	.	H	α-helix	trans	-71.2	-22.8	-178.9	66.5	-88.4	0	0	0	112.9	S374 E384 A387 K388 I391	W370-S374 WeakPolarHBondContact O-CB 3.44Å; W370-S374 PolarHBondContact O-N 3.47Å; W370-S374 PolarHBondContact O-OG 2.69Å; W370-E384 HydrophobicContact CZ3-CB 4.19Å; W370-E384 HydrophobicContact CZ3-CG 3.82Å; W370-A387 HydrophobicContact CB-CB 4.1Å; W370-A387 WeakPolarHBondContact O-CB 3.42Å; W370-K388 HydrophobicContact CB-CG 4Å; W370-K388 HydrophobicContact CD2-CD 4.36Å; W370-K388 HydrophobicContact CD2-CG 4.14Å; W370-K388 HydrophobicContact CE3-CD 4.47Å; W370-K388 HydrophobicContact CE3-CG 4.45Å; W370-K388 HydrophobicContact CG-CG 3.94Å; W370-I391 VanDerWaalsContact CA-CD1 3.42Å; W370-I391 HydrophobicContact CB-CD1 3.53Å
371	K	97	Very high	95.5	Very high	115 Å²	115	58.3 Å²	58.3	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-62.3	-177.9	-59.1	174.4	-159.4	152.9	0	112.9	D369 M373 S374 E375	D369-K371 VanDerWaalsContact C-N 3.29Å; D369-K371 PolarHBondContact O-N 3.06Å; D369-K371 WeakPolarHBondContact OD2-CB 3.41Å; D369-K371 VanDerWaalsContact OD2-CD 3.27Å; D369-K371 WeakPolarHBondContact OD2-CD 3.45Å; D369-K371 VanDerWaalsContact OD2-CG 3.29Å; D369-K371 WeakPolarHBondContact OD2-CG 3.33Å; D369-K371 IonicContact OD2-NZ 3.47Å; K371-M373 PolarHBondContact O-N 3.43Å; K371-S374 WeakPolarHBondContact O-CA 3.45Å; K371-S374 PolarHBondContact O-N 3Å; K371-S374 PolarHBondContact O-OG 3Å; K371-E375 PolarHBondContact O-N 3.35Å
372	P	95.8	Very high	95.2	Very high	45 Å²	45	61.6 Å²	61.6	29%	0.292	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-28.5	179.9	26.8	-37.1	0	0	0	113.1	D369 L376	D369-P372 WeakPolarHBondContact O-CD 3.41Å; P372-L376 PolarHBondContact O-N 2.79Å
373	M	95.3	Very high	95.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68	-39.7	172.4	-173.5	-178.1	-58	0	0	112	F355 Y359 T365 A368 K371 M377 A387 I390 I391	F355-M373 HydrophobicContact CD2-CG 4.35Å; F355-M373 HydrophobicContact CE2-CE 4.07Å; F355-M373 HydrophobicContact CE2-CG 3.94Å; F355-M373 HydrophobicContact CE2-SD 3.88Å; Y359-M373 HydrophobicContact CD1-CE 4.4Å; Y359-M373 HydrophobicContact CD2-CE 4.47Å; Y359-M373 HydrophobicContact CE1-CE 4.22Å; Y359-M373 HydrophobicContact CE2-CB 4.31Å; Y359-M373 HydrophobicContact CE2-CE 4.26Å; Y359-M373 HydrophobicContact CE2-CG 4.3Å; T365-M373 HydrophobicContact CG2-CE 3.9Å; A368-M373 HydrophobicContact CB-CE 3.99Å; K371-M373 PolarHBondContact O-N 3.43Å; M373-M377 HydrophobicContact CG-CE 3.44Å; M373-M377 VanDerWaalsContact CG-CE 3.44Å; M373-M377 WeakPolarHBondContact O-CG 3.49Å; M373-M377 PolarHBondContact O-N 3Å; M373-M377 HydrophobicContact SD-CE 4.05Å; M373-A387 HydrophobicContact CB-CB 4.04Å; M373-A387 HydrophobicContact CG-CB 3.87Å; M373-A387 HydrophobicContact SD-CB 3.99Å; M373-I390 HydrophobicContact SD-CB 4.18Å; M373-I390 HydrophobicContact SD-CG2 3.88Å; M373-I391 HydrophobicContact CE-CD1 3.89Å; M373-I391 HydrophobicContact CE-CG1 3.58Å; M373-I391 HydrophobicContact SD-CD1 4.07Å; M373-I391 HydrophobicContact SD-CG1 3.93Å
374	S	95.9	Very high	95	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-73.4	-31	177.1	80.1	0	0	0	0	112.8	W370 K371 M377 K378 Y383	W370-S374 WeakPolarHBondContact O-CB 3.44Å; W370-S374 PolarHBondContact O-N 3.47Å; W370-S374 PolarHBondContact O-OG 2.69Å; K371-S374 WeakPolarHBondContact O-CA 3.45Å; K371-S374 PolarHBondContact O-N 3Å; K371-S374 PolarHBondContact O-OG 3Å; S374-M377 CarbonylContact O-C 3.6Å; S374-M377 PolarHBondContact O-N 3.31Å; S374-K378 PolarHBondContact O-N 2.94Å; S374-Y383 WeakPolarHBondContact O-CB 3.46Å
375	E	96.6	Very high	94.9	Very high	131 Å²	131	67 Å²	67	61%	0.612	33%	0.334	S	S	*	.	H	α-helix	trans	-64.2	-44.5	172.7	-71.8	175.1	164.7	0	0	111.5	K371 M377 K378	K371-E375 PolarHBondContact O-N 3.35Å; E375-M377 VanDerWaalsContact C-N 3.29Å; E375-M377 PolarHBondContact O-N 3.13Å; E375-K378 WeakPolarHBondContact O-CB 3.49Å; E375-K378 PolarHBondContact O-N 3.39Å
376	L	94.4	Very high	94.8	Very high	35 Å²	35	67.6 Å²	67.6	18%	0.183	34%	0.336	C	S	.	.	H	α-helix	trans	-59.4	-39.6	173.3	176.9	60.9	0	0	0	112.1	V351 V354 F355 P372	V351-L376 HydrophobicContact CG1-CD1 4.06Å; V351-L376 HydrophobicContact CG1-CG 3.97Å; V351-L376 WeakPolarHBondContact CG1-O 3.36Å; V354-L376 HydrophobicContact CB-CD1 4.22Å; V354-L376 HydrophobicContact CG1-CD1 3.68Å; V354-L376 HydrophobicContact CG1-CD2 4.35Å; F355-L376 HydrophobicContact CB-CD2 3.96Å; P372-L376 PolarHBondContact O-N 2.79Å
377	M	93.4	Very high	94.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-83.8	-5.4	179.5	-64.1	177.8	-155.1	0	0	114.2	F339 F355 M373 S374 E375 P379 L380 R386 I390	F339-M377 HydrophobicContact CE1-CG 4.31Å; F339-M377 HydrophobicContact CE2-CE 3.74Å; F339-M377 HydrophobicContact CE2-SD 4.38Å; F339-M377 HydrophobicContact CZ-CE 3.64Å; F339-M377 HydrophobicContact CZ-CG 4.12Å; F339-M377 HydrophobicContact CZ-SD 4.17Å; F355-M377 HydrophobicContact CD2-CE 3.64Å; F355-M377 HydrophobicContact CE2-CE 3.8Å; M373-M377 HydrophobicContact CG-CE 3.44Å; M373-M377 VanDerWaalsContact CG-CE 3.44Å; M373-M377 WeakPolarHBondContact O-CG 3.49Å; M373-M377 PolarHBondContact O-N 3Å; M373-M377 HydrophobicContact SD-CE 4.05Å; S374-M377 CarbonylContact O-C 3.6Å; S374-M377 PolarHBondContact O-N 3.31Å; E375-M377 VanDerWaalsContact C-N 3.29Å; E375-M377 PolarHBondContact O-N 3.13Å; M377-P379 VanDerWaalsContact C-CD 3.49Å; M377-L380 WeakPolarHBondContact O-CB 3.14Å; M377-L380 PolarHBondContact O-N 3.19Å; M377-R386 HydrophobicContact SD-CB 3.84Å; M377-I390 HydrophobicContact CE-CD1 3.53Å; M377-I390 HydrophobicContact SD-CD1 4.02Å
378	K	92.9	Very high	94.9	Very high	127 Å²	127	60 Å²	60	55%	0.552	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-47.8	-46.8	-174.1	-163.2	170.3	-175.4	174.8	0	114.8	S374 E375 L380 G381 Y383	S374-K378 PolarHBondContact O-N 2.94Å; E375-K378 WeakPolarHBondContact O-CB 3.49Å; E375-K378 PolarHBondContact O-N 3.39Å; K378-L380 PolarHBondContact O-N 3.3Å; K378-G381 PolarHBondContact O-N 2.9Å; K378-Y383 HydrophobicContact CB-CD1 4.43Å; K378-Y383 HydrophobicContact CB-CG 4.47Å; K378-Y383 HydrophobicContact CG-CD1 4.24Å; K378-Y383 HydrophobicContact CG-CE1 4.11Å; K378-Y383 WeakPolarHBondContact O-CD1 3.33Å
379	P	91.3	Very high	94.9	Very high	99 Å²	99	59.9 Å²	59.9	64%	0.643	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-68.9	-10.9	178.4	28.2	-36.7	0	0	0	115	M377	M377-P379 VanDerWaalsContact C-CD 3.49Å
380	L	91.3	Very high	95	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.105	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-86.7	-13.3	176.8	-53.4	-177.5	0	0	0	113.1	F339 T343 M347 V351 M377 K378 R386	F339-L380 HydrophobicContact CD1-CD1 3.79Å; F339-L380 HydrophobicContact CE1-CD1 3.95Å; T343-L380 HydrophobicContact CG2-CB 4.29Å; T343-L380 HydrophobicContact CG2-CD2 4.21Å; M347-L380 HydrophobicContact CB-CD2 3.95Å; M347-L380 WeakPolarHBondContact O-CD2 3.34Å; V351-L380 HydrophobicContact CB-CD1 4.13Å; V351-L380 HydrophobicContact CG1-CD1 4.15Å; V351-L380 HydrophobicContact CG2-CD1 4.46Å; V351-L380 HydrophobicContact CG2-CD2 4.12Å; V351-L380 HydrophobicContact CG2-CG 4.39Å; M377-L380 WeakPolarHBondContact O-CB 3.14Å; M377-L380 PolarHBondContact O-N 3.19Å; K378-L380 PolarHBondContact O-N 3.3Å; L380-R386 PolarHBondContact O-NH2 2.84Å
381	G	90.1	Very high	95	Very high	28 Å²	28	54 Å²	54	29%	0.289	27%	0.274	S	S	.	.	S	Bend	trans	69.6	168.5	-170.3	0	0	0	0	0	113.5	K378 Y383 R386	K378-G381 PolarHBondContact O-N 2.9Å; G381-Y383 PolarHBondContact O-N 3.41Å; G381-R386 PolarHBondContact O-NE 3.04Å; G381-R386 PolarHBondContact O-NH2 3.25Å
382	L	91.9	Very high	95.1	Very high	102 Å²	102	55 Å²	55	53%	0.534	28%	0.275	S	S	.	.	S	Bend	trans	52.7	25.1	-175.5	-55.5	174.1	0	0	0	113.7	L385 R386	L382-L385 PolarHBondContact O-N 2.81Å; L382-R386 WeakPolarHBondContact O-CG 3.44Å; L382-R386 PolarHBondContact O-N 3.41Å
383	Y	94.9	Very high	95.2	Very high	81 Å²	81	52.9 Å²	52.9	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-42.1	-162.5	45.9	-94.9	0	0	0	113.7	S374 K378 G381 R386 A387	S374-Y383 WeakPolarHBondContact O-CB 3.46Å; K378-Y383 HydrophobicContact CB-CD1 4.43Å; K378-Y383 HydrophobicContact CB-CG 4.47Å; K378-Y383 HydrophobicContact CG-CD1 4.24Å; K378-Y383 HydrophobicContact CG-CE1 4.11Å; K378-Y383 WeakPolarHBondContact O-CD1 3.33Å; G381-Y383 PolarHBondContact O-N 3.41Å; Y383-R386 PolarHBondContact O-N 3.5Å; Y383-A387 WeakPolarHBondContact O-CB 3.37Å; Y383-A387 PolarHBondContact O-N 3.19Å
384	E	95.8	Very high	95.3	Very high	82 Å²	82	52.9 Å²	52.9	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-45.4	175.8	-59.7	-166.8	-154.2	0	0	112.4	W370 R386 A387 K388	W370-E384 HydrophobicContact CZ3-CB 4.19Å; W370-E384 HydrophobicContact CZ3-CG 3.82Å; E384-R386 VanDerWaalsContact C-N 3.33Å; E384-A387 PolarHBondContact O-N 2.86Å; E384-K388 WeakPolarHBondContact O-CB 3.49Å; E384-K388 WeakPolarHBondContact O-CD 3.45Å; E384-K388 VanDerWaalsContact O-CG 3.24Å; E384-K388 WeakPolarHBondContact O-CG 3.44Å; E384-K388 PolarHBondContact O-N 2.77Å; E384-K388 IonicContact OE2-NZ 2.75Å; E384-K388 PolarHBondContact OE2-NZ 3.26Å
385	L	95.5	Very high	95.4	Very high	114 Å²	114	55.1 Å²	55.1	60%	0.597	27%	0.272	S	S	*	.	H	α-helix	trans	-62.6	-44.9	-180	178.9	61.2	0	0	0	109.6	L382 T389	L382-L385 PolarHBondContact O-N 2.81Å; L385-T389 WeakPolarHBondContact O-CB 3.45Å; L385-T389 PolarHBondContact O-N 2.77Å; L385-T389 PolarHBondContact O-OG1 3.03Å; L385-T389 VanDerWaalsContact O-OG1 3.08Å
386	R	95.6	Very high	95.5	Very high	13 Å²	13	50 Å²	50	5%	0.049	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-48	175.5	-75.9	-168.4	-114.6	-141.9	0.7	112.8	I338 F339 N341 T343 M377 L380 G381 L382 Y383 E384 T389 I390	I338-R386 HydrophobicContact CG2-CG 4.46Å; F339-R386 PolarHBondContact O-NH1 3.34Å; N341-R386 PolarHBondContact O-NH1 2.74Å; T343-R386 VanDerWaalsContact OG1-CZ 3.29Å; T343-R386 PolarHBondContact OG1-NH1 2.75Å; T343-R386 PolarHBondContact OG1-NH2 3.19Å; M377-R386 HydrophobicContact SD-CB 3.84Å; L380-R386 PolarHBondContact O-NH2 2.84Å; G381-R386 PolarHBondContact O-NE 3.04Å; G381-R386 PolarHBondContact O-NH2 3.25Å; L382-R386 WeakPolarHBondContact O-CG 3.44Å; L382-R386 PolarHBondContact O-N 3.41Å; Y383-R386 PolarHBondContact O-N 3.5Å; E384-R386 VanDerWaalsContact C-N 3.33Å; R386-T389 CarbonylContact O-C 3.29Å; R386-T389 PolarHBondContact O-N 3.05Å; R386-I390 HydrophobicContact CB-CD1 4.45Å; R386-I390 WeakPolarHBondContact O-CB 3.22Å; R386-I390 WeakPolarHBondContact O-CD1 3.31Å; R386-I390 VanDerWaalsContact O-CG1 3.23Å; R386-I390 WeakPolarHBondContact O-CG1 3.44Å; R386-I390 PolarHBondContact O-N 3.31Å
387	A	97.3	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-50.1	179.1	0	0	0	0	0	111.6	W370 M373 Y383 E384 T389 I390 I391	W370-A387 HydrophobicContact CB-CB 4.1Å; W370-A387 WeakPolarHBondContact O-CB 3.42Å; M373-A387 HydrophobicContact CB-CB 4.04Å; M373-A387 HydrophobicContact CG-CB 3.87Å; M373-A387 HydrophobicContact SD-CB 3.99Å; Y383-A387 WeakPolarHBondContact O-CB 3.37Å; Y383-A387 PolarHBondContact O-N 3.19Å; E384-A387 PolarHBondContact O-N 2.86Å; A387-T389 VanDerWaalsContact C-N 3.32Å; A387-T389 PolarHBondContact O-N 2.88Å; A387-I390 PolarHBondContact O-N 3.5Å; A387-I390 VanDerWaalsContact O-N 3.15Å; A387-I391 WeakPolarHBondContact O-CG1 3.27Å; A387-I391 PolarHBondContact O-N 3.25Å
388	K	97.4	Very high	95.9	Very high	86 Å²	86	53.2 Å²	53.2	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-60.1	-40.1	176.9	-67.9	163.6	-174.3	168	0	111.7	W370 E384 R392	W370-K388 HydrophobicContact CB-CG 4Å; W370-K388 HydrophobicContact CD2-CD 4.36Å; W370-K388 HydrophobicContact CD2-CG 4.14Å; W370-K388 HydrophobicContact CE3-CD 4.47Å; W370-K388 HydrophobicContact CE3-CG 4.45Å; W370-K388 HydrophobicContact CG-CG 3.94Å; E384-K388 WeakPolarHBondContact O-CB 3.49Å; E384-K388 WeakPolarHBondContact O-CD 3.45Å; E384-K388 VanDerWaalsContact O-CG 3.24Å; E384-K388 WeakPolarHBondContact O-CG 3.44Å; E384-K388 PolarHBondContact O-N 2.77Å; E384-K388 IonicContact OE2-NZ 2.75Å; E384-K388 PolarHBondContact OE2-NZ 3.26Å; K388-R392 WeakPolarHBondContact O-CB 3.5Å; K388-R392 PolarHBondContact O-N 3.24Å
389	T	97.6	Very high	96	Very high	18 Å²	18	51.7 Å²	51.7	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-38.9	174.2	-72	0	0	0	0	112.8	L385 R386 A387 F393 H409 G410	L385-T389 WeakPolarHBondContact O-CB 3.45Å; L385-T389 PolarHBondContact O-N 2.77Å; L385-T389 PolarHBondContact O-OG1 3.03Å; L385-T389 VanDerWaalsContact O-OG1 3.08Å; R386-T389 CarbonylContact O-C 3.29Å; R386-T389 PolarHBondContact O-N 3.05Å; A387-T389 VanDerWaalsContact C-N 3.32Å; A387-T389 PolarHBondContact O-N 2.88Å; T389-F393 WeakPolarHBondContact O-CA 3.41Å; T389-F393 WeakPolarHBondContact O-CB 3.46Å; T389-F393 PolarHBondContact O-N 2.9Å; T389-H409 PolarHBondContact OG1-NE2 2.9Å; T389-G410 VanDerWaalsContact CG2-CA 3.47Å
390	I	97.9	Very high	96.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.6	-40.6	-177.9	-76.7	164.3	0	0	0	111.8	I338 F339 F355 T365 M373 M377 R386 A387 F393 S394	I338-I390 HydrophobicContact CB-CG1 4.35Å; I338-I390 HydrophobicContact CD1-CG1 4.04Å; I338-I390 HydrophobicContact CG2-CD1 4.01Å; I338-I390 HydrophobicContact CG2-CG1 3.83Å; F339-I390 HydrophobicContact CD2-CD1 4.1Å; F339-I390 HydrophobicContact CE2-CD1 3.84Å; F355-I390 HydrophobicContact CE2-CG2 4.15Å; F355-I390 HydrophobicContact CZ-CG2 3.77Å; T365-I390 HydrophobicContact CG2-CG2 3.63Å; M373-I390 HydrophobicContact SD-CB 4.18Å; M373-I390 HydrophobicContact SD-CG2 3.88Å; M377-I390 HydrophobicContact CE-CD1 3.53Å; M377-I390 HydrophobicContact SD-CD1 4.02Å; R386-I390 HydrophobicContact CB-CD1 4.45Å; R386-I390 WeakPolarHBondContact O-CB 3.22Å; R386-I390 WeakPolarHBondContact O-CD1 3.31Å; R386-I390 VanDerWaalsContact O-CG1 3.23Å; R386-I390 WeakPolarHBondContact O-CG1 3.44Å; R386-I390 PolarHBondContact O-N 3.31Å; A387-I390 PolarHBondContact O-N 3.5Å; A387-I390 VanDerWaalsContact O-N 3.15Å; I390-F393 PolarHBondContact O-N 3Å; I390-S394 WeakPolarHBondContact O-CB 3.38Å; I390-S394 PolarHBondContact O-N 3.23Å; I390-S394 PolarHBondContact O-OG 3.35Å
391	I	97.9	Very high	96.5	Very high	30 Å²	30	59.5 Å²	59.5	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-52.7	174.1	-69.8	157.2	0	0	0	109.8	T365 A368 W370 M373 A387 F393 S394 D395	T365-I391 WeakPolarHBondContact O-CG1 3.4Å; A368-I391 VanDerWaalsContact O-CD1 3.24Å; A368-I391 WeakPolarHBondContact O-CD1 3.34Å; W370-I391 VanDerWaalsContact CA-CD1 3.42Å; W370-I391 HydrophobicContact CB-CD1 3.53Å; M373-I391 HydrophobicContact CE-CD1 3.89Å; M373-I391 HydrophobicContact CE-CG1 3.58Å; M373-I391 HydrophobicContact SD-CD1 4.07Å; M373-I391 HydrophobicContact SD-CG1 3.93Å; A387-I391 WeakPolarHBondContact O-CG1 3.27Å; A387-I391 PolarHBondContact O-N 3.25Å; I391-F393 PolarHBondContact O-N 2.87Å; I391-S394 PolarHBondContact O-N 3.21Å; I391-S394 VanDerWaalsContact O-N 3.14Å; I391-D395 PolarHBondContact O-N 2.94Å
392	R	98	Very high	96.8	Very high	135 Å²	135	61 Å²	61	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-38	178.1	-179.2	174.8	169.3	156.6	5.8	113.1	K388 S394 D395 E396 H409	K388-R392 WeakPolarHBondContact O-CB 3.5Å; K388-R392 PolarHBondContact O-N 3.24Å; R392-S394 VanDerWaalsContact C-N 3.33Å; R392-D395 PolarHBondContact O-N 2.85Å; R392-E396 IonicContact CZ-OE1 3.23Å; R392-E396 VanDerWaalsContact CZ-OE1 3.23Å; R392-E396 IonicContact NE-OE1 2.78Å; R392-E396 PolarHBondContact NE-OE1 3.39Å; R392-E396 IonicContact NH2-OE1 2.78Å; R392-E396 PolarHBondContact NH2-OE1 3.45Å; R392-E396 PolarHBondContact O-N 3.11Å; R392-H409 HydrophobicContact CG-CB 4.07Å
393	F	98.3	Very high	97	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-45.3	173.1	164.5	-106.3	0	0	0	110.9	W331 L334 V335 I338 T389 I390 I391 E396 F397 L408 H409 I411	W331-F393 AromaticContact CD1-CE1 3.43Å; W331-F393 VanDerWaalsContact CD1-CE1 3.43Å; W331-F393 HydrophobicContact CG-CE1 4.37Å; W331-F393 AromaticContact NE1-CE1 3.64Å; L334-F393 HydrophobicContact CB-CE1 4.1Å; L334-F393 HydrophobicContact CB-CE2 4.17Å; L334-F393 HydrophobicContact CB-CZ 3.46Å; L334-F393 VanDerWaalsContact CB-CZ 3.46Å; L334-F393 HydrophobicContact CD1-CE2 4.13Å; L334-F393 HydrophobicContact CD1-CZ 3.8Å; L334-F393 HydrophobicContact CG-CZ 4.26Å; V335-F393 HydrophobicContact CG2-CD1 4.2Å; V335-F393 HydrophobicContact CG2-CE1 3.91Å; I338-F393 HydrophobicContact CD1-CB 4.23Å; I338-F393 HydrophobicContact CD1-CD1 3.97Å; I338-F393 HydrophobicContact CD1-CG 3.95Å; T389-F393 WeakPolarHBondContact O-CA 3.41Å; T389-F393 WeakPolarHBondContact O-CB 3.46Å; T389-F393 PolarHBondContact O-N 2.9Å; I390-F393 PolarHBondContact O-N 3Å; I391-F393 PolarHBondContact O-N 2.87Å; F393-E396 PolarHBondContact O-N 3.02Å; F393-F397 HydrophobicContact CE2-CD2 4.17Å; F393-F397 HydrophobicContact CZ-CB 4.43Å; F393-F397 AromaticContact CZ-CD2 3.77Å; F393-F397 HydrophobicContact CZ-CD2 3.77Å; F393-F397 HydrophobicContact CZ-CE2 4.48Å; F393-F397 HydrophobicContact CZ-CG 4.41Å; F393-F397 WeakPolarHBondContact O-CB 3.44Å; F393-F397 PolarHBondContact O-N 2.93Å; F393-L408 HydrophobicContact CD2-CB 4.04Å; F393-L408 HydrophobicContact CD2-CD1 4.27Å; F393-L408 HydrophobicContact CE2-CB 4.15Å; F393-L408 HydrophobicContact CE2-CD1 3.66Å; F393-H409 WeakPolarHBondContact CB-O 3.33Å; F393-I411 HydrophobicContact CD2-CD1 3.91Å; F393-I411 HydrophobicContact CD2-CG1 3.7Å; F393-I411 HydrophobicContact CE2-CD1 3.73Å; F393-I411 HydrophobicContact CE2-CG1 3.53Å; F393-I411 HydrophobicContact CZ-CD1 4.3Å
394	S	98.3	Very high	97.1	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.1	-33.3	-177.8	-54.2	0	0	0	0	112.4	W331 T365 I390 I391 R392	W331-S394 PolarHBondContact NE1-OG 2.76Å; T365-S394 WeakPolarHBondContact CG2-OG 3.17Å; I390-S394 WeakPolarHBondContact O-CB 3.38Å; I390-S394 PolarHBondContact O-N 3.23Å; I390-S394 PolarHBondContact O-OG 3.35Å; I391-S394 PolarHBondContact O-N 3.21Å; I391-S394 VanDerWaalsContact O-N 3.14Å; R392-S394 VanDerWaalsContact C-N 3.33Å
395	D	98.1	Very high	97.2	Very high	56 Å²	56	59 Å²	59	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-52.1	170.7	-168	88.5	0	0	0	111.8	R366 I391 R392 F397 L398 N399	R366-D395 HydrophobicContact CB-CB 3.98Å; R366-D395 IonicContact CZ-OD1 3.19Å; R366-D395 IonicContact NE-OD1 2.66Å; R366-D395 PolarHBondContact NE-OD1 3.04Å; R366-D395 IonicContact NH2-OD1 3.22Å; R366-D395 PolarHBondContact NH2-OD1 3.31Å; I391-D395 PolarHBondContact O-N 2.94Å; R392-D395 PolarHBondContact O-N 2.85Å; D395-F397 VanDerWaalsContact C-N 3.27Å; D395-F397 PolarHBondContact O-N 2.96Å; D395-L398 PolarHBondContact O-N 2.94Å; D395-N399 WeakPolarHBondContact O-CB 3.33Å; D395-N399 PolarHBondContact O-N 3.14Å; D395-N399 PolarHBondContact O-ND2 2.79Å; D395-N399 PolarHBondContact OD1-ND2 3.39Å; D395-N399 PolarHBondContact OD2-ND2 2.89Å
396	E	98.1	Very high	97.2	Very high	25 Å²	25	57.9 Å²	57.9	12%	0.117	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-32.2	177.1	-72.7	-170	-149.1	0	0	112.1	R392 F393 L398 K400 L408 H409	R392-E396 IonicContact CZ-OE1 3.23Å; R392-E396 VanDerWaalsContact CZ-OE1 3.23Å; R392-E396 IonicContact NE-OE1 2.78Å; R392-E396 PolarHBondContact NE-OE1 3.39Å; R392-E396 IonicContact NH2-OE1 2.78Å; R392-E396 PolarHBondContact NH2-OE1 3.45Å; R392-E396 PolarHBondContact O-N 3.11Å; F393-E396 PolarHBondContact O-N 3.02Å; E396-L398 VanDerWaalsContact C-N 3.29Å; E396-L398 PolarHBondContact O-N 2.72Å; E396-K400 HydrophobicContact CB-CD 4.47Å; E396-K400 WeakPolarHBondContact O-CB 3.45Å; E396-K400 PolarHBondContact O-N 3.49Å; E396-K400 VanDerWaalsContact O-N 3.12Å; E396-K400 IonicContact OE2-NZ 3.19Å; E396-K400 PolarHBondContact OE2-NZ 2.91Å; E396-L408 HydrophobicContact CB-CD2 3.83Å; E396-L408 WeakPolarHBondContact O-CD2 3.49Å; E396-H409 WeakPolarHBondContact OE1-CB 3.47Å; E396-H409 PolarHBondContact OE2-N 2.91Å
397	F	97.8	Very high	97.3	Very high	35 Å²	35	61 Å²	61	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-33.9	178.8	-178.6	-86.6	0	0	0	112.9	P330 W331 L334 A362 F393 D395 W402 L408	P330-F397 HydrophobicContact CB-CZ 4.47Å; W331-F397 HydrophobicContact CB-CD1 4.35Å; W331-F397 HydrophobicContact CB-CE1 3.84Å; W331-F397 HydrophobicContact CB-CE2 4.04Å; W331-F397 HydrophobicContact CB-CZ 3.67Å; W331-F397 HydrophobicContact CG-CE1 4.47Å; L334-F397 HydrophobicContact CD1-CD2 4.44Å; L334-F397 HydrophobicContact CD1-CE2 4.15Å; A362-F397 HydrophobicContact CB-CD1 4.18Å; F393-F397 HydrophobicContact CE2-CD2 4.17Å; F393-F397 HydrophobicContact CZ-CB 4.43Å; F393-F397 AromaticContact CZ-CD2 3.77Å; F393-F397 HydrophobicContact CZ-CD2 3.77Å; F393-F397 HydrophobicContact CZ-CE2 4.48Å; F393-F397 HydrophobicContact CZ-CG 4.41Å; F393-F397 WeakPolarHBondContact O-CB 3.44Å; F393-F397 PolarHBondContact O-N 2.93Å; D395-F397 VanDerWaalsContact C-N 3.27Å; D395-F397 PolarHBondContact O-N 2.96Å; F397-W402 HydrophobicContact CD2-CH2 4.4Å; F397-W402 AromaticContact CD2-CZ2 3.67Å; F397-W402 HydrophobicContact CD2-CZ2 3.67Å; F397-W402 AromaticContact CE2-CH2 3.84Å; F397-W402 HydrophobicContact CE2-CH2 3.84Å; F397-W402 AromaticContact CE2-CZ2 3.38Å; F397-W402 HydrophobicContact CE2-CZ2 3.38Å; F397-W402 HydrophobicContact CG-CZ2 4.38Å; F397-W402 HydrophobicContact CZ-CH2 4.43Å; F397-W402 AromaticContact CZ-CZ2 3.87Å; F397-W402 HydrophobicContact CZ-CZ2 3.87Å; F397-W402 PolarHBondContact O-NE1 3.22Å; F397-L408 HydrophobicContact CB-CD1 4.19Å; F397-L408 HydrophobicContact CD2-CD1 3.81Å; F397-L408 HydrophobicContact CG-CD1 4.45Å
398	L	97.2	Very high	97.3	Very high	66 Å²	66	61.3 Å²	61.3	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-94.6	-42.1	-179.9	-67	175.5	0	0	0	113.1	A362 E363 D395 E396	A362-L398 HydrophobicContact CB-CD1 3.72Å; A362-L398 HydrophobicContact CB-CD2 4.17Å; A362-L398 HydrophobicContact CB-CG 3.84Å; E363-L398 HydrophobicContact CB-CD1 4.41Å; E363-L398 HydrophobicContact CG-CD1 3.79Å; E363-L398 WeakPolarHBondContact OE1-CD2 3.18Å; D395-L398 PolarHBondContact O-N 2.94Å; E396-L398 VanDerWaalsContact C-N 3.29Å; E396-L398 PolarHBondContact O-N 2.72Å
399	N	96.7	Very high	97.3	Very high	95 Å²	95	60.4 Å²	60.4	51%	0.508	27%	0.273	S	S	.	.	H	α-helix	trans	-87.4	-22.4	-170.5	-65.2	-30.5	0	0	0	114	R366 D395	R366-N399 PolarHBondContact NH2-ND2 2.95Å; D395-N399 WeakPolarHBondContact O-CB 3.33Å; D395-N399 PolarHBondContact O-N 3.14Å; D395-N399 PolarHBondContact O-ND2 2.79Å; D395-N399 PolarHBondContact OD1-ND2 3.39Å; D395-N399 PolarHBondContact OD2-ND2 2.89Å
400	K	96	Very high	97.2	Very high	88 Å²	88	61 Å²	61	38%	0.383	28%	0.284	S	S	.	.	S	Bend	trans	-93.6	143.1	-177.9	-158.3	-177.3	-162.3	164.2	0	109.8	E396 W402 E407 L408	E396-K400 HydrophobicContact CB-CD 4.47Å; E396-K400 WeakPolarHBondContact O-CB 3.45Å; E396-K400 PolarHBondContact O-N 3.49Å; E396-K400 VanDerWaalsContact O-N 3.12Å; E396-K400 IonicContact OE2-NZ 3.19Å; E396-K400 PolarHBondContact OE2-NZ 2.91Å; K400-W402 VanDerWaalsContact O-CD1 3.24Å; K400-E407 PolarHBondContact NZ-O 3.14Å; K400-L408 HydrophobicContact CB-CD2 4.44Å; K400-L408 HydrophobicContact CD-CD2 3.94Å
401	Q	96.4	Very high	97.2	Very high	196 Å²	196	61.6 Å²	61.6	92%	0.916	29%	0.286	S	S	*	.			trans	-82.9	118.6	160.5	-64.3	-166.4	7.7	0	0	108.6
402	W	96.9	Very high	97.1	Very high	59 Å²	59	62.1 Å²	62.1	22%	0.223	30%	0.3	C	S	.	.			trans	-132.6	150.2	179.8	56	-87	0	0	0	109.9	F397 K400 P405 E407 L408 Y419	F397-W402 HydrophobicContact CD2-CH2 4.4Å; F397-W402 AromaticContact CD2-CZ2 3.67Å; F397-W402 HydrophobicContact CD2-CZ2 3.67Å; F397-W402 AromaticContact CE2-CH2 3.84Å; F397-W402 HydrophobicContact CE2-CH2 3.84Å; F397-W402 AromaticContact CE2-CZ2 3.38Å; F397-W402 HydrophobicContact CE2-CZ2 3.38Å; F397-W402 HydrophobicContact CG-CZ2 4.38Å; F397-W402 HydrophobicContact CZ-CH2 4.43Å; F397-W402 AromaticContact CZ-CZ2 3.87Å; F397-W402 HydrophobicContact CZ-CZ2 3.87Å; F397-W402 PolarHBondContact O-NE1 3.22Å; K400-W402 VanDerWaalsContact O-CD1 3.24Å; W402-P405 HydrophobicContact CE3-CB 4.42Å; W402-P405 HydrophobicContact CZ3-CB 4.19Å; W402-E407 WeakPolarHBondContact CA-OE2 3.34Å; W402-E407 HydrophobicContact CB-CB 4.16Å; W402-L408 HydrophobicContact CB-CD2 4.24Å; W402-L408 HydrophobicContact CB-CG 4.49Å; W402-L408 HydrophobicContact CD2-CD1 3.99Å; W402-L408 HydrophobicContact CD2-CG 4.39Å; W402-L408 HydrophobicContact CG-CD1 4.2Å; W402-L408 HydrophobicContact CG-CD2 3.92Å; W402-L408 HydrophobicContact CG-CG 4.14Å; W402-L408 HydrophobicContact CZ2-CD1 4.4Å; W402-Y419 HydrophobicContact CH2-CE2 4.2Å; W402-Y419 HydrophobicContact CZ3-CE2 4.18Å; W402-Y419 AromaticContact CZ3-CZ 3.99Å
403	R	95.6	Very high	97	Very high	174 Å²	174	59 Å²	59	66%	0.657	29%	0.29	S	S	*	.	S	Bend	trans	-101.2	-42.2	174	-176.7	-174.7	171.6	97.2	6.2	111.7	E407	R403-E407 WeakPolarHBondContact CA-OE1 3.46Å; R403-E407 WeakPolarHBondContact CB-OE1 3.07Å; R403-E407 PolarHBondContact N-OE1 3.44Å; R403-E407 PolarHBondContact N-OE2 3.04Å
404	Y	97.1	Very high	97	Very high	50 Å²	50	61.2 Å²	61.2	20%	0.196	30%	0.298	C	S	.	.	S	Bend	trans	-127.3	141.1	177	-64.7	-70.5	0	0	0	109.6	I406 E407 N416 Y419 R420 E426	Y404-I406 PolarHBondContact O-N 2.77Å; Y404-E407 PolarHBondContact N-OE1 3.03Å; Y404-E407 WeakPolarHBondContact O-CB 3.28Å; Y404-E407 VanDerWaalsContact O-CG 3.32Å; Y404-E407 WeakPolarHBondContact O-CG 3.43Å; Y404-E407 PolarHBondContact O-N 2.95Å; Y404-N416 WeakPolarHBondContact CB-OD1 3.5Å; Y404-Y419 HydrophobicContact CD1-CE1 4.28Å; Y404-R420 HydrophobicContact CD1-CG 4.07Å; Y404-R420 HydrophobicContact CE1-CG 4.23Å; Y404-E426 VanDerWaalsContact CE1-OE1 3.31Å; Y404-E426 WeakPolarHBondContact CE1-OE1 3.27Å; Y404-E426 WeakPolarHBondContact CE1-OE2 3.2Å; Y404-E426 PolarHBondContact OH-OE1 3.36Å; Y404-E426 PolarHBondContact OH-OE2 2.82Å
405	P	97	Very high	96.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-70.8	-8.8	-169.4	29.7	-36.5	0	0	0	113.6	L334 W402 E407 L408 I411 Y419	L334-P405 HydrophobicContact CD1-CB 3.45Å; L334-P405 VanDerWaalsContact CD1-CB 3.45Å; L334-P405 HydrophobicContact CD1-CG 3.93Å; L334-P405 HydrophobicContact CD2-CB 3.84Å; L334-P405 HydrophobicContact CD2-CG 3.76Å; L334-P405 HydrophobicContact CG-CB 4.32Å; L334-P405 HydrophobicContact CG-CG 4.47Å; W402-P405 HydrophobicContact CE3-CB 4.42Å; W402-P405 HydrophobicContact CZ3-CB 4.19Å; P405-E407 PolarHBondContact O-N 3.23Å; P405-E407 VanDerWaalsContact O-N 3.14Å; P405-L408 HydrophobicContact CB-CD1 4.11Å; P405-L408 VanDerWaalsContact O-CB 3.28Å; P405-L408 WeakPolarHBondContact O-CB 3.49Å; P405-L408 PolarHBondContact O-N 3.21Å; P405-I411 HydrophobicContact CB-CG2 4.14Å; P405-I411 HydrophobicContact CG-CG2 4.42Å; P405-I411 WeakPolarHBondContact O-CB 3.49Å; P405-I411 WeakPolarHBondContact O-CG2 3.32Å; P405-Y419 VanDerWaalsContact CD-CD1 3.43Å; P405-Y419 HydrophobicContact CG-CD1 3.89Å; P405-Y419 HydrophobicContact CG-CD2 4.03Å; P405-Y419 HydrophobicContact CG-CG 3.58Å
406	I	96.9	Very high	96.9	Very high	89 Å²	89	59.4 Å²	59.4	46%	0.456	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-57.9	-19	166.7	-161.1	163.9	0	0	0	113.5	Y404 N416	Y404-I406 PolarHBondContact O-N 2.77Å; I406-N416 HydrophobicContact CB-CB 3.86Å; I406-N416 WeakPolarHBondContact CB-OD1 3.23Å; I406-N416 HydrophobicContact CD1-CB 4.36Å; I406-N416 HydrophobicContact CG1-CB 4.46Å; I406-N416 PolarHBondContact N-OD1 2.74Å
407	E	96.7	Very high	96.9	Very high	79 Å²	79	58.5 Å²	58.5	37%	0.369	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-73.9	-15.8	173	-62.3	166.9	-122.5	0	0	112.4	K400 W402 R403 Y404 P405	K400-E407 PolarHBondContact NZ-O 3.14Å; W402-E407 WeakPolarHBondContact CA-OE2 3.34Å; W402-E407 HydrophobicContact CB-CB 4.16Å; R403-E407 WeakPolarHBondContact CA-OE1 3.46Å; R403-E407 WeakPolarHBondContact CB-OE1 3.07Å; R403-E407 PolarHBondContact N-OE1 3.44Å; R403-E407 PolarHBondContact N-OE2 3.04Å; Y404-E407 PolarHBondContact N-OE1 3.03Å; Y404-E407 WeakPolarHBondContact O-CB 3.28Å; Y404-E407 VanDerWaalsContact O-CG 3.32Å; Y404-E407 WeakPolarHBondContact O-CG 3.43Å; Y404-E407 PolarHBondContact O-N 2.95Å; P405-E407 PolarHBondContact O-N 3.23Å; P405-E407 VanDerWaalsContact O-N 3.14Å
408	L	97.4	Very high	96.9	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	28%	0.278	C	S	.	.	S	Bend	trans	-94.4	143.1	-175.3	-59.2	174	0	0	0	112.1	F393 E396 F397 K400 W402 P405 G410 I411	F393-L408 HydrophobicContact CD2-CB 4.04Å; F393-L408 HydrophobicContact CD2-CD1 4.27Å; F393-L408 HydrophobicContact CE2-CB 4.15Å; F393-L408 HydrophobicContact CE2-CD1 3.66Å; E396-L408 HydrophobicContact CB-CD2 3.83Å; E396-L408 WeakPolarHBondContact O-CD2 3.49Å; F397-L408 HydrophobicContact CB-CD1 4.19Å; F397-L408 HydrophobicContact CD2-CD1 3.81Å; F397-L408 HydrophobicContact CG-CD1 4.45Å; K400-L408 HydrophobicContact CB-CD2 4.44Å; K400-L408 HydrophobicContact CD-CD2 3.94Å; W402-L408 HydrophobicContact CB-CD2 4.24Å; W402-L408 HydrophobicContact CB-CG 4.49Å; W402-L408 HydrophobicContact CD2-CD1 3.99Å; W402-L408 HydrophobicContact CD2-CG 4.39Å; W402-L408 HydrophobicContact CG-CD1 4.2Å; W402-L408 HydrophobicContact CG-CD2 3.92Å; W402-L408 HydrophobicContact CG-CG 4.14Å; W402-L408 HydrophobicContact CZ2-CD1 4.4Å; P405-L408 HydrophobicContact CB-CD1 4.11Å; P405-L408 VanDerWaalsContact O-CB 3.28Å; P405-L408 WeakPolarHBondContact O-CB 3.49Å; P405-L408 PolarHBondContact O-N 3.21Å; L408-G410 PolarHBondContact O-N 2.94Å; L408-I411 HydrophobicContact CB-CG1 4.34Å; L408-I411 PolarHBondContact O-N 3.39Å
409	H	97.4	Very high	96.9	Very high	67 Å²	67	55.2 Å²	55.2	31%	0.31	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	132.9	175.7	-176.5	84.5	0	0	0	112.4	T389 R392 F393 E396	T389-H409 PolarHBondContact OG1-NE2 2.9Å; R392-H409 HydrophobicContact CG-CB 4.07Å; F393-H409 WeakPolarHBondContact CB-O 3.33Å; E396-H409 WeakPolarHBondContact OE1-CB 3.47Å; E396-H409 PolarHBondContact OE2-N 2.91Å
410	G	95.5	Very high	96.9	Very high	32 Å²	32	52.4 Å²	52.4	33%	0.33	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-17.6	178.2	0	0	0	0	0	115.9	T389 L408	T389-G410 VanDerWaalsContact CG2-CA 3.47Å; L408-G410 PolarHBondContact O-N 2.94Å
411	I	97.9	Very high	97	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.056	23%	0.232	C	C	.	.			trans	-94	105.6	-177.4	-54.6	-54.3	0	0	0	110.8	L334 I338 F393 P405 L408	L334-I411 HydrophobicContact CB-CD1 4.04Å; L334-I411 HydrophobicContact CD2-CD1 3.97Å; L334-I411 HydrophobicContact CD2-CG1 4.28Å; L334-I411 HydrophobicContact CD2-CG2 3.99Å; I338-I411 HydrophobicContact CD1-CD1 3.86Å; I338-I411 HydrophobicContact CG1-CD1 3.87Å; F393-I411 HydrophobicContact CD2-CD1 3.91Å; F393-I411 HydrophobicContact CD2-CG1 3.7Å; F393-I411 HydrophobicContact CE2-CD1 3.73Å; F393-I411 HydrophobicContact CE2-CG1 3.53Å; F393-I411 HydrophobicContact CZ-CD1 4.3Å; P405-I411 HydrophobicContact CB-CG2 4.14Å; P405-I411 HydrophobicContact CG-CG2 4.42Å; P405-I411 WeakPolarHBondContact O-CB 3.49Å; P405-I411 WeakPolarHBondContact O-CG2 3.32Å; L408-I411 HydrophobicContact CB-CG1 4.34Å; L408-I411 PolarHBondContact O-N 3.39Å
412	G	96.1	Very high	97	Very high	42 Å²	42	38.9 Å²	38.9	43%	0.433	19%	0.188	S	C	.	.			trans	-84.9	-177.7	169.4	0	0	0	0	0	113.2	Y414 G415 N416	G412-Y414 PolarHBondContact O-N 2.78Å; G412-Y414 VanDerWaalsContact O-N 3.08Å; G412-G415 PolarHBondContact O-N 3.08Å; G412-N416 PolarHBondContact O-N 3.36Å; G412-N416 VanDerWaalsContact O-N 3.13Å
413	K	96.6	Very high	96.9	Very high	68 Å²	68	37.3 Å²	37.3	30%	0.296	19%	0.186	S	C	.	.	H	α-helix	trans	-46.6	-41	177.2	-175.9	174.6	-176.3	-66.1	0	113.5	G415 N416 D417 T431 E433	K413-G415 PolarHBondContact O-N 3.41Å; K413-N416 PolarHBondContact O-N 2.98Å; K413-D417 WeakPolarHBondContact CG-OD2 2.98Å; K413-D417 IonicContact NZ-OD2 2.68Å; K413-D417 PolarHBondContact NZ-OD2 2.91Å; K413-D417 WeakPolarHBondContact O-CB 3.4Å; K413-D417 PolarHBondContact O-N 3.33Å; K413-T431 PolarHBondContact NZ-O 3.43Å; K413-E433 WeakPolarHBondContact CD-OE1 3.29Å; K413-E433 WeakPolarHBondContact CE-OE1 3.43Å; K413-E433 IonicContact NZ-OE1 3.18Å; K413-E433 PolarHBondContact NZ-OE1 3.15Å
414	Y	97.1	Very high	96.8	Very high	48 Å²	48	30.9 Å²	30.9	19%	0.188	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-46.2	176.9	171.9	-121.3	0	0	0	114.3	Q323 T337 L340 G412 S418 D434 L437	Q323-Y414 PolarHBondContact NE2-OH 3.22Å; Q323-Y414 VanDerWaalsContact NE2-OH 3.15Å; T337-Y414 HydrophobicContact CG2-CD1 4.4Å; T337-Y414 HydrophobicContact CG2-CE1 3.94Å; L340-Y414 HydrophobicContact CB-CE1 4.34Å; G412-Y414 PolarHBondContact O-N 2.78Å; G412-Y414 VanDerWaalsContact O-N 3.08Å; Y414-S418 WeakPolarHBondContact O-CB 3.16Å; Y414-S418 PolarHBondContact O-N 3.29Å; Y414-S418 PolarHBondContact O-OG 3.17Å; Y414-D434 HydrophobicContact CD2-CB 3.45Å; Y414-D434 VanDerWaalsContact CD2-CB 3.45Å; Y414-D434 HydrophobicContact CE2-CB 3.58Å; Y414-D434 WeakPolarHBondContact CE2-OD1 3.49Å; Y414-D434 HydrophobicContact CG-CB 4.48Å; Y414-L437 HydrophobicContact CD2-CD2 4.2Å; Y414-L437 HydrophobicContact CE2-CD2 4.36Å
415	G	97.4	Very high	96.6	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-71.2	-35.8	178.8	0	0	0	0	0	111.8	G412 K413 S418 Y419	G412-G415 PolarHBondContact O-N 3.08Å; K413-G415 PolarHBondContact O-N 3.41Å; G415-S418 WeakPolarHBondContact O-CB 3.13Å; G415-S418 PolarHBondContact O-N 3.04Å; G415-Y419 PolarHBondContact O-N 3.45Å
416	N	97.8	Very high	96.5	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.08	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-48.8	173.9	-172	74	0	0	0	113.2	Y404 I406 G412 K413 S418 Y419 R420	Y404-N416 WeakPolarHBondContact CB-OD1 3.5Å; I406-N416 HydrophobicContact CB-CB 3.86Å; I406-N416 WeakPolarHBondContact CB-OD1 3.23Å; I406-N416 HydrophobicContact CD1-CB 4.36Å; I406-N416 HydrophobicContact CG1-CB 4.46Å; I406-N416 PolarHBondContact N-OD1 2.74Å; G412-N416 PolarHBondContact O-N 3.36Å; G412-N416 VanDerWaalsContact O-N 3.13Å; K413-N416 PolarHBondContact O-N 2.98Å; N416-S418 VanDerWaalsContact C-N 3.26Å; N416-S418 PolarHBondContact O-N 3.18Å; N416-Y419 PolarHBondContact O-N 3Å; N416-R420 WeakPolarHBondContact ND2-CD 3.27Å; N416-R420 WeakPolarHBondContact O-CB 3.43Å; N416-R420 WeakPolarHBondContact O-CG 3.45Å; N416-R420 PolarHBondContact O-N 2.77Å
417	D	97.7	Very high	96.4	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-36.7	176.2	-68.5	-12.4	0	0	0	110.5	K413 R420 I421 V430 L437	K413-D417 WeakPolarHBondContact CG-OD2 2.98Å; K413-D417 IonicContact NZ-OD2 2.68Å; K413-D417 PolarHBondContact NZ-OD2 2.91Å; K413-D417 WeakPolarHBondContact O-CB 3.4Å; K413-D417 PolarHBondContact O-N 3.33Å; D417-R420 PolarHBondContact O-N 2.89Å; D417-I421 WeakPolarHBondContact O-CB 3.29Å; D417-I421 VanDerWaalsContact O-CG1 3.3Å; D417-I421 WeakPolarHBondContact O-CG1 3.48Å; D417-I421 PolarHBondContact O-N 3.36Å; D417-V430 HydrophobicContact CB-CG1 3.6Å; D417-L437 HydrophobicContact CB-CD2 3.66Å
418	S	97.6	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-50.5	171.7	-61.5	0	0	0	0	111.4	Q323 Y414 G415 N416 R420 I421 F422	Q323-S418 PolarHBondContact NE2-OG 3.23Å; Y414-S418 WeakPolarHBondContact O-CB 3.16Å; Y414-S418 PolarHBondContact O-N 3.29Å; Y414-S418 PolarHBondContact O-OG 3.17Å; G415-S418 WeakPolarHBondContact O-CB 3.13Å; G415-S418 PolarHBondContact O-N 3.04Å; N416-S418 VanDerWaalsContact C-N 3.26Å; N416-S418 PolarHBondContact O-N 3.18Å; S418-R420 VanDerWaalsContact C-N 3.34Å; S418-R420 PolarHBondContact O-N 3.13Å; S418-I421 PolarHBondContact O-N 2.88Å; S418-F422 WeakPolarHBondContact O-CB 3.33Å; S418-F422 WeakPolarHBondContact O-CD2 3.38Å; S418-F422 PolarHBondContact O-N 2.98Å
419	Y	97.6	Very high	96.2	Very high	31 Å²	31	37.8 Å²	37.8	12%	0.122	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-43.8	175.7	174.9	-91	0	0	0	112.3	P330 W402 Y404 P405 G415 N416 I421 F422 C423 V424	P330-Y419 HydrophobicContact CB-CD2 4.19Å; P330-Y419 HydrophobicContact CB-CE2 3.93Å; P330-Y419 HydrophobicContact CG-CE2 4.39Å; W402-Y419 HydrophobicContact CH2-CE2 4.2Å; W402-Y419 HydrophobicContact CZ3-CE2 4.18Å; W402-Y419 AromaticContact CZ3-CZ 3.99Å; Y404-Y419 HydrophobicContact CD1-CE1 4.28Å; P405-Y419 VanDerWaalsContact CD-CD1 3.43Å; P405-Y419 HydrophobicContact CG-CD1 3.89Å; P405-Y419 HydrophobicContact CG-CD2 4.03Å; P405-Y419 HydrophobicContact CG-CG 3.58Å; G415-Y419 PolarHBondContact O-N 3.45Å; N416-Y419 PolarHBondContact O-N 3Å; Y419-I421 VanDerWaalsContact C-N 3.28Å; Y419-I421 PolarHBondContact O-N 3.23Å; Y419-F422 PolarHBondContact O-N 3.06Å; Y419-C423 HydrophobicContact CD2-CB 3.52Å; Y419-C423 HydrophobicContact CE2-CB 3.66Å; Y419-C423 HydrophobicContact CG-CB 4.08Å; Y419-C423 WeakPolarHBondContact O-CA 3.37Å; Y419-C423 WeakPolarHBondContact O-CB 3.46Å; Y419-C423 PolarHBondContact O-N 2.99Å; Y419-V424 HydrophobicContact CD1-CG2 4.4Å; Y419-V424 HydrophobicContact CE1-CG1 4.22Å; Y419-V424 HydrophobicContact CE1-CG2 4.23Å; Y419-V424 PolarHBondContact O-N 3.37Å
420	R	97.1	Very high	96.1	Very high	37 Å²	37	34.7 Å²	34.7	14%	0.14	18%	0.179	C	C	.	.	H	α-helix	trans	-70.8	-15.9	-179.8	-67.9	-177.1	75.8	-134.3	-1.2	114.7	Y404 N416 D417 S418 V424 E426 W427 Q429 V430	Y404-R420 HydrophobicContact CD1-CG 4.07Å; Y404-R420 HydrophobicContact CE1-CG 4.23Å; N416-R420 WeakPolarHBondContact ND2-CD 3.27Å; N416-R420 WeakPolarHBondContact O-CB 3.43Å; N416-R420 WeakPolarHBondContact O-CG 3.45Å; N416-R420 PolarHBondContact O-N 2.77Å; D417-R420 PolarHBondContact O-N 2.89Å; S418-R420 VanDerWaalsContact C-N 3.34Å; S418-R420 PolarHBondContact O-N 3.13Å; R420-V424 VanDerWaalsContact O-O 3.08Å; R420-E426 HydrophobicContact CB-CB 4.27Å; R420-E426 IonicContact CZ-OE2 2.74Å; R420-E426 IonicContact NE-OE2 3.78Å; R420-E426 PolarHBondContact NE-OE2 3.26Å; R420-E426 IonicContact NH2-OE2 2.76Å; R420-E426 PolarHBondContact NH2-OE2 3.47Å; R420-E426 CarbonylContact O-C 3.6Å; R420-E426 VanDerWaalsContact O-C 3.29Å; R420-E426 WeakPolarHBondContact O-CA 3.36Å; R420-E426 WeakPolarHBondContact O-CB 3.39Å; R420-E426 PolarHBondContact O-N 2.76Å; R420-W427 PolarHBondContact O-N 2.99Å; R420-W427 VanDerWaalsContact O-N 3.13Å; R420-Q429 PolarHBondContact NH1-O 2.66Å; R420-V430 HydrophobicContact CB-CG2 3.4Å; R420-V430 VanDerWaalsContact CB-CG2 3.4Å
421	I	96.3	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-96.3	-38.9	173.6	-71.5	168.2	0	0	0	111.6	W312 D417 S418 Y419 W427 V430 P432 L437 Y440	W312-I421 WeakPolarHBondContact CZ2-O 3.49Å; W312-I421 PolarHBondContact NE1-O 2.66Å; D417-I421 WeakPolarHBondContact O-CB 3.29Å; D417-I421 VanDerWaalsContact O-CG1 3.3Å; D417-I421 WeakPolarHBondContact O-CG1 3.48Å; D417-I421 PolarHBondContact O-N 3.36Å; S418-I421 PolarHBondContact O-N 2.88Å; Y419-I421 VanDerWaalsContact C-N 3.28Å; Y419-I421 PolarHBondContact O-N 3.23Å; I421-W427 HydrophobicContact CB-CB 4.35Å; I421-W427 HydrophobicContact CG1-CB 4.05Å; I421-W427 HydrophobicContact CG2-CB 4.31Å; I421-V430 HydrophobicContact CD1-CB 4.14Å; I421-V430 HydrophobicContact CD1-CG1 3.7Å; I421-V430 HydrophobicContact CG1-CB 3.96Å; I421-V430 HydrophobicContact CG1-CG1 3.94Å; I421-V430 HydrophobicContact CG1-CG2 4.03Å; I421-P432 HydrophobicContact CD1-CG 4.5Å; I421-L437 HydrophobicContact CD1-CD1 3.77Å; I421-L437 HydrophobicContact CD1-CD2 4.24Å; I421-L437 HydrophobicContact CD1-CG 3.86Å; I421-Y440 HydrophobicContact CG2-CD1 3.84Å; I421-Y440 HydrophobicContact CG2-CE1 3.46Å; I421-Y440 VanDerWaalsContact CG2-CE1 3.46Å
422	F	96.7	Very high	96	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-103.7	-40.7	-168.7	-71.5	-83.4	0	0	0	114	W312 P314 L321 Q323 E324 F327 L333 S418 Y419 L437 Y440	W312-F422 PolarHBondContact NE1-O 2.84Å; P314-F422 HydrophobicContact CB-CD1 3.63Å; P314-F422 HydrophobicContact CB-CE1 4.17Å; P314-F422 HydrophobicContact CB-CG 4.49Å; P314-F422 WeakPolarHBondContact CD-O 3.32Å; P314-F422 HydrophobicContact CG-CB 4.33Å; P314-F422 HydrophobicContact CG-CD1 3.73Å; P314-F422 WeakPolarHBondContact CG-O 3.31Å; L321-F422 HydrophobicContact CD1-CZ 4.26Å; Q323-F422 HydrophobicContact CB-CB 4.43Å; Q323-F422 HydrophobicContact CB-CD1 3.79Å; Q323-F422 HydrophobicContact CB-CD2 3.46Å; Q323-F422 VanDerWaalsContact CB-CD2 3.46Å; Q323-F422 HydrophobicContact CB-CE1 3.84Å; Q323-F422 HydrophobicContact CB-CE2 3.49Å; Q323-F422 VanDerWaalsContact CB-CE2 3.49Å; Q323-F422 HydrophobicContact CB-CG 3.62Å; Q323-F422 HydrophobicContact CB-CZ 3.7Å; Q323-F422 HydrophobicContact CG-CD2 3.86Å; Q323-F422 HydrophobicContact CG-CE2 3.92Å; Q323-F422 HydrophobicContact CG-CG 4.41Å; E324-F422 HydrophobicContact CB-CE1 4.45Å; E324-F422 HydrophobicContact CG-CE1 3.74Å; E324-F422 HydrophobicContact CG-CZ 4.38Å; F327-F422 HydrophobicContact CB-CB 3.96Å; L333-F422 HydrophobicContact CD1-CB 3.63Å; L333-F422 HydrophobicContact CD1-CG 4.31Å; S418-F422 WeakPolarHBondContact O-CB 3.33Å; S418-F422 WeakPolarHBondContact O-CD2 3.38Å; S418-F422 PolarHBondContact O-N 2.98Å; Y419-F422 PolarHBondContact O-N 3.06Å; F422-L437 HydrophobicContact CD2-CD1 4.47Å; F422-L437 HydrophobicContact CE2-CD1 3.7Å; F422-Y440 HydrophobicContact CE1-CD1 4.3Å; F422-Y440 HydrophobicContact CE1-CD2 4.19Å; F422-Y440 AromaticContact CE1-CE1 3.76Å; F422-Y440 HydrophobicContact CE1-CE1 3.76Å; F422-Y440 AromaticContact CE1-CE2 3.63Å; F422-Y440 HydrophobicContact CE1-CE2 3.63Å; F422-Y440 AromaticContact CE1-CZ 3.4Å; F422-Y440 VanDerWaalsContact CE1-CZ 3.4Å; F422-Y440 HydrophobicContact CE2-CD1 4.19Å; F422-Y440 HydrophobicContact CE2-CE1 4.2Å; F422-Y440 AromaticContact CZ-CD1 3.61Å; F422-Y440 HydrophobicContact CZ-CD1 3.61Å; F422-Y440 AromaticContact CZ-CD2 3.82Å; F422-Y440 HydrophobicContact CZ-CD2 3.82Å; F422-Y440 AromaticContact CZ-CE1 3.5Å; F422-Y440 HydrophobicContact CZ-CE1 3.5Å; F422-Y440 AromaticContact CZ-CE2 3.73Å; F422-Y440 HydrophobicContact CZ-CE2 3.73Å; F422-Y440 AromaticContact CZ-CG 3.79Å; F422-Y440 HydrophobicContact CZ-CG 3.79Å; F422-Y440 AromaticContact CZ-CZ 3.58Å
423	C	95.4	Very high	95.9	Very high	26 Å²	26	43.6 Å²	43.6	18%	0.176	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-27.6	-177.2	-57.4	0	0	0	0	113	P330 Y419	P330-C423 HydrophobicContact CG-CB 4.42Å; Y419-C423 HydrophobicContact CD2-CB 3.52Å; Y419-C423 HydrophobicContact CE2-CB 3.66Å; Y419-C423 HydrophobicContact CG-CB 4.08Å; Y419-C423 WeakPolarHBondContact O-CA 3.37Å; Y419-C423 WeakPolarHBondContact O-CB 3.46Å; Y419-C423 PolarHBondContact O-N 2.99Å
424	V	92.8	Very high	95.9	Very high	38 Å²	38	42.7 Å²	42.7	23%	0.23	21%	0.208	C	C	.	.	S	Bend	trans	-132.9	156.9	178.5	-63.3	0	0	0	0	111.8	W312 Y419 R420 E426	W312-V424 PolarHBondContact NE1-O 2.9Å; Y419-V424 HydrophobicContact CD1-CG2 4.4Å; Y419-V424 HydrophobicContact CE1-CG1 4.22Å; Y419-V424 HydrophobicContact CE1-CG2 4.23Å; Y419-V424 PolarHBondContact O-N 3.37Å; R420-V424 VanDerWaalsContact O-O 3.08Å; V424-E426 HydrophobicContact CG2-CB 4.05Å; V424-E426 HydrophobicContact CG2-CG 3.88Å; V424-E426 PolarHBondContact O-N 2.74Å
425	E	92.6	Very high	95.8	Very high	98 Å²	98	47.4 Å²	47.4	46%	0.458	23%	0.231	S	C	.	.	S	Bend	trans	-75.8	29.8	-177.2	-163.7	159.6	-143.1	0	0	113.4	W312	W312-E425 HydrophobicContact CB-CB 4.12Å; W312-E425 HydrophobicContact CD2-CB 3.97Å; W312-E425 HydrophobicContact CD2-CG 4.1Å; W312-E425 HydrophobicContact CE3-CB 3.95Å; W312-E425 HydrophobicContact CE3-CG 3.55Å; W312-E425 HydrophobicContact CG-CB 4.05Å; W312-E425 HydrophobicContact CZ3-CG 3.99Å
426	E	95	Very high	95.7	Very high	32 Å²	32	52.4 Å²	52.4	15%	0.15	25%	0.252	C	S	.	.			trans	-90.4	3.4	-176.9	-67.7	-170.4	-162.6	0	0	113.5	Y404 R420 V424 R428 Q429	Y404-E426 VanDerWaalsContact CE1-OE1 3.31Å; Y404-E426 WeakPolarHBondContact CE1-OE1 3.27Å; Y404-E426 WeakPolarHBondContact CE1-OE2 3.2Å; Y404-E426 PolarHBondContact OH-OE1 3.36Å; Y404-E426 PolarHBondContact OH-OE2 2.82Å; R420-E426 HydrophobicContact CB-CB 4.27Å; R420-E426 IonicContact CZ-OE2 2.74Å; R420-E426 IonicContact NE-OE2 3.78Å; R420-E426 PolarHBondContact NE-OE2 3.26Å; R420-E426 IonicContact NH2-OE2 2.76Å; R420-E426 PolarHBondContact NH2-OE2 3.47Å; R420-E426 CarbonylContact O-C 3.6Å; R420-E426 VanDerWaalsContact O-C 3.29Å; R420-E426 WeakPolarHBondContact O-CA 3.36Å; R420-E426 WeakPolarHBondContact O-CB 3.39Å; R420-E426 PolarHBondContact O-N 2.76Å; V424-E426 HydrophobicContact CG2-CB 4.05Å; V424-E426 HydrophobicContact CG2-CG 3.88Å; V424-E426 PolarHBondContact O-N 2.74Å; E426-R428 PolarHBondContact O-N 3.12Å; E426-Q429 WeakPolarHBondContact O-CA 2.98Å; E426-Q429 WeakPolarHBondContact O-CB 3.35Å; E426-Q429 PolarHBondContact O-N 2.94Å
427	W	94.9	Very high	95.6	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-50.4	-34.7	-172.5	69	-92.9	0	0	0	114.8	W312 R420 I421 Q429 V430 H441 L444 W445 H448	W312-W427 AromaticContact CH2-CD1 3.29Å; W312-W427 HydrophobicContact CH2-CG 4.26Å; W312-W427 AromaticContact CH2-NE1 3.35Å; W312-W427 VanDerWaalsContact CH2-NE1 3.35Å; W312-W427 AromaticContact CZ2-CD1 3.53Å; W312-W427 HydrophobicContact CZ2-CG 4.3Å; W312-W427 AromaticContact CZ3-CD1 3.95Å; W312-W427 AromaticContact CZ3-NE1 3.78Å; R420-W427 PolarHBondContact O-N 2.99Å; R420-W427 VanDerWaalsContact O-N 3.13Å; I421-W427 HydrophobicContact CB-CB 4.35Å; I421-W427 HydrophobicContact CG1-CB 4.05Å; I421-W427 HydrophobicContact CG2-CB 4.31Å; W427-Q429 PolarHBondContact O-N 2.8Å; W427-V430 PolarHBondContact O-N 3.31Å; W427-H441 PolarHBondContact O-NE2 3.43Å; W427-L444 HydrophobicContact CB-CD2 3.93Å; W427-L444 HydrophobicContact CD2-CD2 3.39Å; W427-L444 HydrophobicContact CD2-CG 4.02Å; W427-L444 HydrophobicContact CE3-CD2 3.51Å; W427-L444 HydrophobicContact CE3-CG 3.87Å; W427-L444 HydrophobicContact CG-CD2 3.61Å; W427-L444 HydrophobicContact CH2-CG 4.19Å; W427-L444 HydrophobicContact CZ2-CG 4.33Å; W427-L444 HydrophobicContact CZ3-CB 4.48Å; W427-L444 HydrophobicContact CZ3-CD2 4.13Å; W427-L444 HydrophobicContact CZ3-CG 3.95Å; W427-W445 HydrophobicContact CH2-CD2 4.34Å; W427-W445 HydrophobicContact CH2-CE3 4.42Å; W427-W445 AromaticContact CZ3-CD1 3.98Å; W427-W445 AromaticContact CZ3-CD2 3.71Å; W427-W445 HydrophobicContact CZ3-CD2 3.71Å; W427-W445 AromaticContact CZ3-CE2 3.69Å; W427-W445 HydrophobicContact CZ3-CE3 4.22Å; W427-W445 AromaticContact CZ3-CG 3.92Å; W427-W445 HydrophobicContact CZ3-CG 3.92Å; W427-W445 HydrophobicContact CZ3-CZ2 4.2Å; W427-W445 AromaticContact CZ3-NE1 3.84Å; W427-H448 HydrophobicContact CH2-CB 3.57Å; W427-H448 AromaticContact CH2-CG 3.79Å; W427-H448 HydrophobicContact CZ2-CB 3.75Å
428	R	95	Very high	95.6	Very high	102 Å²	102	54.3 Å²	54.3	39%	0.385	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.7	176.6	-59.6	-175.7	-174.6	-92.7	9.1	113.7	E426 W445 H448 I453	E426-R428 PolarHBondContact O-N 3.12Å; R428-W445 HydrophobicContact CB-CH2 4.36Å; R428-W445 HydrophobicContact CB-CZ2 4.08Å; R428-W445 HydrophobicContact CG-CH2 4.31Å; R428-W445 HydrophobicContact CG-CZ2 4.26Å; R428-H448 PolarHBondContact NH1-CD2 2.83Å; R428-H448 PolarHBondContact NH1-NE2 2.85Å; R428-H448 PolarHBondContact NH2-CD2 3.27Å; R428-I453 PolarHBondContact NH2-O 3.18Å; R428-I453 PolarHBondContact NH2-OXT 3.38Å
429	Q	95.4	Very high	95.6	Very high	136 Å²	136	58.8 Å²	58.8	64%	0.636	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-104.7	11.7	179.9	-51.4	177.5	24.2	0	0	112.7	R420 E426 W427	R420-Q429 PolarHBondContact NH1-O 2.66Å; E426-Q429 WeakPolarHBondContact O-CA 2.98Å; E426-Q429 WeakPolarHBondContact O-CB 3.35Å; E426-Q429 PolarHBondContact O-N 2.94Å; W427-Q429 PolarHBondContact O-N 2.8Å
430	V	96	Very high	95.5	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.012	28%	0.276	C	S	.	.			trans	-107.7	134.3	179.4	-177.9	0	0	0	0	109.1	D417 R420 I421 W427 H441	D417-V430 HydrophobicContact CB-CG1 3.6Å; R420-V430 HydrophobicContact CB-CG2 3.4Å; R420-V430 VanDerWaalsContact CB-CG2 3.4Å; I421-V430 HydrophobicContact CD1-CB 4.14Å; I421-V430 HydrophobicContact CD1-CG1 3.7Å; I421-V430 HydrophobicContact CG1-CB 3.96Å; I421-V430 HydrophobicContact CG1-CG1 3.94Å; I421-V430 HydrophobicContact CG1-CG2 4.03Å; W427-V430 PolarHBondContact O-N 3.31Å; V430-H441 PolarHBondContact O-CE1 2.68Å; V430-H441 PolarHBondContact O-NE2 2.87Å
431	T	95.4	Very high	95.5	Very high	113 Å²	113	56.5 Å²	56.5	69%	0.693	27%	0.274	S	S	*	.			trans	-119.3	84.7	173.8	43.1	0	0	0	0	108.3	K413	K413-T431 PolarHBondContact NZ-O 3.43Å
432	P	95.8	Very high	95.6	Very high	10 Å²	10	58.7 Å²	58.7	7%	0.065	29%	0.292	C	S	.	.			trans	-69.4	150.2	-170.5	27.4	-32.1	0	0	0	112.4	I421 L437 N438 H441	I421-P432 HydrophobicContact CD1-CG 4.5Å; P432-L437 HydrophobicContact CB-CB 4.01Å; P432-L437 HydrophobicContact CB-CD2 3.71Å; P432-L437 HydrophobicContact CB-CG 3.67Å; P432-L437 HydrophobicContact CG-CG 4.35Å; P432-N438 PolarHBondContact O-ND2 2.95Å; P432-N438 PolarHBondContact O-OD1 3.39Å; P432-H441 HydrophobicContact CG-CB 3.89Å
433	E	94.7	Very high	95.6	Very high	150 Å²	150	60.4 Å²	60.4	70%	0.701	30%	0.298	S	S	*	.			trans	-104.9	-20.7	174.9	-79.5	165.7	-142.7	0	0	113.3	K413	K413-E433 WeakPolarHBondContact CD-OE1 3.29Å; K413-E433 WeakPolarHBondContact CE-OE1 3.43Å; K413-E433 IonicContact NZ-OE1 3.18Å; K413-E433 PolarHBondContact NZ-OE1 3.15Å
434	D	95.8	Very high	95.6	Very high	49 Å²	49	59.2 Å²	59.2	26%	0.262	29%	0.29	S	S	.	.	S	Bend	trans	-72.1	141.5	176.6	168.1	-113.9	0	0	0	111.8	Y414 K436 L437 N438	Y414-D434 HydrophobicContact CD2-CB 3.45Å; Y414-D434 VanDerWaalsContact CD2-CB 3.45Å; Y414-D434 HydrophobicContact CE2-CB 3.58Å; Y414-D434 WeakPolarHBondContact CE2-OD1 3.49Å; Y414-D434 HydrophobicContact CG-CB 4.48Å; D434-K436 PolarHBondContact O-N 3.03Å; D434-K436 WeakPolarHBondContact OD1-CA 3.44Å; D434-K436 WeakPolarHBondContact OD1-CB 3.39Å; D434-K436 PolarHBondContact OD1-N 2.78Å; D434-L437 HydrophobicContact CB-CB 3.96Å; D434-L437 PolarHBondContact O-N 3.26Å; D434-L437 WeakPolarHBondContact OD1-CB 3.49Å; D434-L437 PolarHBondContact OD1-N 3.26Å; D434-N438 WeakPolarHBondContact O-CB 3.24Å; D434-N438 PolarHBondContact O-N 3.33Å; D434-N438 PolarHBondContact O-ND2 3.41Å
435	H	94.1	Very high	95.8	Very high	147 Å²	147	62.6 Å²	62.6	68%	0.681	30%	0.299	S	S	*	.	H	α-helix	trans	-65.6	-35.8	-177.3	179.2	70.2	0	0	0	113.3	K439	H435-K439 PolarHBondContact O-N 2.96Å
436	K	95.3	Very high	96	Very high	107 Å²	107	64.6 Å²	64.6	47%	0.465	31%	0.308	S	S	.	.	H	α-helix	trans	-76.3	-42.8	177.6	-70.5	-170.9	173.4	-165.9	0	111.3	L321 D434 N438 K439 Y440	L321-K436 HydrophobicContact CD2-CB 3.91Å; L321-K436 HydrophobicContact CD2-CD 4.06Å; L321-K436 HydrophobicContact CD2-CG 4.44Å; D434-K436 PolarHBondContact O-N 3.03Å; D434-K436 WeakPolarHBondContact OD1-CA 3.44Å; D434-K436 WeakPolarHBondContact OD1-CB 3.39Å; D434-K436 PolarHBondContact OD1-N 2.78Å; K436-N438 VanDerWaalsContact C-N 3.31Å; K436-N438 PolarHBondContact O-N 3.26Å; K436-K439 PolarHBondContact O-N 3.38Å; K436-K439 VanDerWaalsContact O-N 3.16Å; K436-Y440 PolarHBondContact O-N 3.42Å; K436-Y440 VanDerWaalsContact O-N 3.15Å
437	L	96.4	Very high	96	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-37.8	178.4	-163.9	58.8	0	0	0	111.6	Y414 D417 I421 F422 P432 D434 Y440 H441	Y414-L437 HydrophobicContact CD2-CD2 4.2Å; Y414-L437 HydrophobicContact CE2-CD2 4.36Å; D417-L437 HydrophobicContact CB-CD2 3.66Å; I421-L437 HydrophobicContact CD1-CD1 3.77Å; I421-L437 HydrophobicContact CD1-CD2 4.24Å; I421-L437 HydrophobicContact CD1-CG 3.86Å; F422-L437 HydrophobicContact CD2-CD1 4.47Å; F422-L437 HydrophobicContact CE2-CD1 3.7Å; P432-L437 HydrophobicContact CB-CB 4.01Å; P432-L437 HydrophobicContact CB-CD2 3.71Å; P432-L437 HydrophobicContact CB-CG 3.67Å; P432-L437 HydrophobicContact CG-CG 4.35Å; D434-L437 HydrophobicContact CB-CB 3.96Å; D434-L437 PolarHBondContact O-N 3.26Å; D434-L437 WeakPolarHBondContact OD1-CB 3.49Å; D434-L437 PolarHBondContact OD1-N 3.26Å; L437-Y440 PolarHBondContact O-N 2.86Å; L437-H441 VanDerWaalsContact O-CB 3.24Å; L437-H441 WeakPolarHBondContact O-CB 3.19Å; L437-H441 PolarHBondContact O-N 3.35Å
438	N	97.3	Very high	96	Very high	62 Å²	62	66.3 Å²	66.3	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-43.5	170.7	-89.5	-74.3	0	0	0	113.2	P432 D434 K436 H441 A442	P432-N438 PolarHBondContact O-ND2 2.95Å; P432-N438 PolarHBondContact O-OD1 3.39Å; D434-N438 WeakPolarHBondContact O-CB 3.24Å; D434-N438 PolarHBondContact O-N 3.33Å; D434-N438 PolarHBondContact O-ND2 3.41Å; K436-N438 VanDerWaalsContact C-N 3.31Å; K436-N438 PolarHBondContact O-N 3.26Å; N438-H441 PolarHBondContact O-N 2.8Å; N438-A442 WeakPolarHBondContact O-CB 3.32Å; N438-A442 PolarHBondContact O-N 3.45Å
439	K	97.1	Very high	95.9	Very high	94 Å²	94	69.8 Å²	69.8	41%	0.409	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-46.6	177.6	-77.8	178.4	170	170.7	0	112	F319 H435 K436 W443	F319-K439 HydrophobicContact CD1-CB 4.4Å; F319-K439 HydrophobicContact CD2-CB 4.18Å; F319-K439 HydrophobicContact CE1-CB 4.21Å; F319-K439 HydrophobicContact CE1-CD 4.43Å; F319-K439 HydrophobicContact CE2-CB 3.97Å; F319-K439 VanDerWaalsContact CE2-O 3.23Å; F319-K439 WeakPolarHBondContact CE2-O 3.24Å; F319-K439 HydrophobicContact CG-CB 4.39Å; F319-K439 HydrophobicContact CZ-CB 3.98Å; H435-K439 PolarHBondContact O-N 2.96Å; K436-K439 PolarHBondContact O-N 3.38Å; K436-K439 VanDerWaalsContact O-N 3.16Å; K439-W443 WeakPolarHBondContact O-CB 3.35Å; K439-W443 PolarHBondContact O-N 3.08Å; K439-W443 VanDerWaalsContact O-N 3.14Å
440	Y	97.4	Very high	95.8	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-42.9	175.1	177.7	-84.3	0	0	0	111.9	P314 P315 L321 E324 I421 F422 K436 L437 W443 L444	P314-Y440 WeakPolarHBondContact CB-OH 3.2Å; P315-Y440 WeakPolarHBondContact CD-OH 3.46Å; P315-Y440 PolarHBondContact O-OH 2.86Å; L321-Y440 HydrophobicContact CD1-CD2 4.3Å; L321-Y440 HydrophobicContact CD1-CG 4.1Å; E324-Y440 HydrophobicContact CG-CD2 4.4Å; E324-Y440 HydrophobicContact CG-CE2 3.95Å; I421-Y440 HydrophobicContact CG2-CD1 3.84Å; I421-Y440 HydrophobicContact CG2-CE1 3.46Å; I421-Y440 VanDerWaalsContact CG2-CE1 3.46Å; F422-Y440 HydrophobicContact CE1-CD1 4.3Å; F422-Y440 HydrophobicContact CE1-CD2 4.19Å; F422-Y440 AromaticContact CE1-CE1 3.76Å; F422-Y440 HydrophobicContact CE1-CE1 3.76Å; F422-Y440 AromaticContact CE1-CE2 3.63Å; F422-Y440 HydrophobicContact CE1-CE2 3.63Å; F422-Y440 AromaticContact CE1-CZ 3.4Å; F422-Y440 VanDerWaalsContact CE1-CZ 3.4Å; F422-Y440 HydrophobicContact CE2-CD1 4.19Å; F422-Y440 HydrophobicContact CE2-CE1 4.2Å; F422-Y440 AromaticContact CZ-CD1 3.61Å; F422-Y440 HydrophobicContact CZ-CD1 3.61Å; F422-Y440 AromaticContact CZ-CD2 3.82Å; F422-Y440 HydrophobicContact CZ-CD2 3.82Å; F422-Y440 AromaticContact CZ-CE1 3.5Å; F422-Y440 HydrophobicContact CZ-CE1 3.5Å; F422-Y440 AromaticContact CZ-CE2 3.73Å; F422-Y440 HydrophobicContact CZ-CE2 3.73Å; F422-Y440 AromaticContact CZ-CG 3.79Å; F422-Y440 HydrophobicContact CZ-CG 3.79Å; F422-Y440 AromaticContact CZ-CZ 3.58Å; K436-Y440 PolarHBondContact O-N 3.42Å; K436-Y440 VanDerWaalsContact O-N 3.15Å; L437-Y440 PolarHBondContact O-N 2.86Å; Y440-W443 HydrophobicContact CD2-CE3 4.4Å; Y440-W443 HydrophobicContact CD2-CZ3 4.49Å; Y440-W443 HydrophobicContact CE2-CE3 4.38Å; Y440-W443 HydrophobicContact CE2-CZ3 4.05Å; Y440-L444 HydrophobicContact CE1-CD2 3.96Å; Y440-L444 VanDerWaalsContact O-CB 3.3Å; Y440-L444 WeakPolarHBondContact O-CB 3.4Å; Y440-L444 PolarHBondContact O-N 2.69Å
441	H	97.1	Very high	95.5	Very high	19 Å²	19	72.5 Å²	72.5	9%	0.088	36%	0.358	C	S	.	.	H	α-helix	trans	-67.8	-41.2	-178.5	-172.9	-112	0	0	0	113.4	W427 V430 P432 L437 N438 L444 W445	W427-H441 PolarHBondContact O-NE2 3.43Å; V430-H441 PolarHBondContact O-CE1 2.68Å; V430-H441 PolarHBondContact O-NE2 2.87Å; P432-H441 HydrophobicContact CG-CB 3.89Å; L437-H441 VanDerWaalsContact O-CB 3.24Å; L437-H441 WeakPolarHBondContact O-CB 3.19Å; L437-H441 PolarHBondContact O-N 3.35Å; N438-H441 PolarHBondContact O-N 2.8Å; H441-L444 WeakPolarHBondContact O-CB 3.46Å; H441-L444 PolarHBondContact O-N 2.83Å; H441-W445 AromaticContact CE1-CD1 3.66Å; H441-W445 AromaticContact CE1-NE1 3.36Å; H441-W445 PolarHBondContact CE1-NE1 2.9Å; H441-W445 AromaticContact ND1-CD1 3.83Å; H441-W445 AromaticContact ND1-NE1 4Å; H441-W445 AromaticContact NE2-CD1 3.99Å; H441-W445 AromaticContact NE2-NE1 3.57Å; H441-W445 PolarHBondContact O-N 2.94Å
442	A	96.9	Very high	95.1	Very high	46 Å²	46	70.4 Å²	70.4	38%	0.38	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-48.7	173.7	0	0	0	0	0	111.5	N438 L444 W445 E446	N438-A442 WeakPolarHBondContact O-CB 3.32Å; N438-A442 PolarHBondContact O-N 3.45Å; A442-L444 VanDerWaalsContact C-N 3.27Å; A442-L444 PolarHBondContact O-N 2.87Å; A442-W445 WeakPolarHBondContact O-CA 3.43Å; A442-W445 WeakPolarHBondContact O-CB 3.5Å; A442-W445 PolarHBondContact O-N 2.7Å; A442-E446 WeakPolarHBondContact O-CG 3.3Å; A442-E446 PolarHBondContact O-N 2.72Å
443	W	97.4	Very high	94.6	Very high	37 Å²	37	72.5 Å²	72.5	14%	0.14	37%	0.369	C	S	.	.	H	α-helix	trans	-59	-36.7	174.5	170.5	81	0	0	0	112.7	P315 R316 F319 K439 Y440 E446 N447 L451	P315-W443 HydrophobicContact CB-CH2 4.09Å; P315-W443 HydrophobicContact CB-CZ3 4.45Å; P315-W443 HydrophobicContact CG-CH2 4.08Å; P315-W443 HydrophobicContact CG-CZ3 3.99Å; R316-W443 WeakPolarHBondContact O-CH2 3.46Å; F319-W443 HydrophobicContact CE2-CB 3.73Å; F319-W443 HydrophobicContact CE2-CG 4.13Å; F319-W443 HydrophobicContact CZ-CB 4.38Å; K439-W443 WeakPolarHBondContact O-CB 3.35Å; K439-W443 PolarHBondContact O-N 3.08Å; K439-W443 VanDerWaalsContact O-N 3.14Å; Y440-W443 HydrophobicContact CD2-CE3 4.4Å; Y440-W443 HydrophobicContact CD2-CZ3 4.49Å; Y440-W443 HydrophobicContact CE2-CE3 4.38Å; Y440-W443 HydrophobicContact CE2-CZ3 4.05Å; W443-E446 PolarHBondContact O-N 2.79Å; W443-N447 PolarHBondContact NE1-ND2 3.28Å; W443-N447 WeakPolarHBondContact O-CB 3.42Å; W443-N447 PolarHBondContact O-N 2.78Å; W443-N447 PolarHBondContact O-ND2 3.26Å; W443-L451 HydrophobicContact CH2-CD1 4.1Å; W443-L451 HydrophobicContact CZ2-CD1 4.41Å
444	L	96.2	Very high	94.6	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.2	-40.6	174.6	-168.5	65.6	0	0	0	111.3	P315 W427 Y440 H441 A442 E446 N447 H448 I453	P315-L444 HydrophobicContact CG-CD1 3.41Å; P315-L444 VanDerWaalsContact CG-CD1 3.41Å; W427-L444 HydrophobicContact CB-CD2 3.93Å; W427-L444 HydrophobicContact CD2-CD2 3.39Å; W427-L444 HydrophobicContact CD2-CG 4.02Å; W427-L444 HydrophobicContact CE3-CD2 3.51Å; W427-L444 HydrophobicContact CE3-CG 3.87Å; W427-L444 HydrophobicContact CG-CD2 3.61Å; W427-L444 HydrophobicContact CH2-CG 4.19Å; W427-L444 HydrophobicContact CZ2-CG 4.33Å; W427-L444 HydrophobicContact CZ3-CB 4.48Å; W427-L444 HydrophobicContact CZ3-CD2 4.13Å; W427-L444 HydrophobicContact CZ3-CG 3.95Å; Y440-L444 HydrophobicContact CE1-CD2 3.96Å; Y440-L444 VanDerWaalsContact O-CB 3.3Å; Y440-L444 WeakPolarHBondContact O-CB 3.4Å; Y440-L444 PolarHBondContact O-N 2.69Å; H441-L444 WeakPolarHBondContact O-CB 3.46Å; H441-L444 PolarHBondContact O-N 2.83Å; A442-L444 VanDerWaalsContact C-N 3.27Å; A442-L444 PolarHBondContact O-N 2.87Å; L444-E446 VanDerWaalsContact C-N 3.34Å; L444-E446 PolarHBondContact O-N 3.25Å; L444-N447 PolarHBondContact O-N 2.78Å; L444-H448 VanDerWaalsContact O-CB 3.31Å; L444-H448 WeakPolarHBondContact O-CB 3.25Å; L444-H448 PolarHBondContact O-N 2.97Å; L444-I453 HydrophobicContact CD1-CD1 3.72Å
445	W	96.3	Very high	94.5	Very high	110 Å²	110	69.7 Å²	69.7	42%	0.417	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-36.5	172.3	-88.6	109	0	0	0	113.3	W427 R428 H441 A442 H448	W427-W445 HydrophobicContact CH2-CD2 4.34Å; W427-W445 HydrophobicContact CH2-CE3 4.42Å; W427-W445 AromaticContact CZ3-CD1 3.98Å; W427-W445 AromaticContact CZ3-CD2 3.71Å; W427-W445 HydrophobicContact CZ3-CD2 3.71Å; W427-W445 AromaticContact CZ3-CE2 3.69Å; W427-W445 HydrophobicContact CZ3-CE3 4.22Å; W427-W445 AromaticContact CZ3-CG 3.92Å; W427-W445 HydrophobicContact CZ3-CG 3.92Å; W427-W445 HydrophobicContact CZ3-CZ2 4.2Å; W427-W445 AromaticContact CZ3-NE1 3.84Å; R428-W445 HydrophobicContact CB-CH2 4.36Å; R428-W445 HydrophobicContact CB-CZ2 4.08Å; R428-W445 HydrophobicContact CG-CH2 4.31Å; R428-W445 HydrophobicContact CG-CZ2 4.26Å; H441-W445 AromaticContact CE1-CD1 3.66Å; H441-W445 AromaticContact CE1-NE1 3.36Å; H441-W445 PolarHBondContact CE1-NE1 2.9Å; H441-W445 AromaticContact ND1-CD1 3.83Å; H441-W445 AromaticContact ND1-NE1 4Å; H441-W445 AromaticContact NE2-CD1 3.99Å; H441-W445 AromaticContact NE2-NE1 3.57Å; H441-W445 PolarHBondContact O-N 2.94Å; A442-W445 WeakPolarHBondContact O-CA 3.43Å; A442-W445 WeakPolarHBondContact O-CB 3.5Å; A442-W445 PolarHBondContact O-N 2.7Å; W445-H448 AromaticContact CE3-CE1 3.8Å; W445-H448 PolarHBondContact O-CE1 2.89Å; W445-H448 VanDerWaalsContact O-CE1 3.27Å; W445-H448 PolarHBondContact O-ND1 2.67Å
446	E	96.5	Very high	94.6	Very high	140 Å²	140	65.4 Å²	65.4	65%	0.654	34%	0.339	S	S	*	.	H	α-helix	trans	-67.2	-42.7	173.4	-68.2	159.9	-168.9	0	0	112.1	A442 W443 L444	A442-E446 WeakPolarHBondContact O-CG 3.3Å; A442-E446 PolarHBondContact O-N 2.72Å; W443-E446 PolarHBondContact O-N 2.79Å; L444-E446 VanDerWaalsContact C-N 3.34Å; L444-E446 PolarHBondContact O-N 3.25Å
447	N	95.8	Very high	94.5	Very high	46 Å²	46	62.9 Å²	62.9	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-103	-6	-166.2	-69.1	-93.1	0	0	0	115.2	W443 L444 K449 T450 L451	W443-N447 PolarHBondContact NE1-ND2 3.28Å; W443-N447 WeakPolarHBondContact O-CB 3.42Å; W443-N447 PolarHBondContact O-N 2.78Å; W443-N447 PolarHBondContact O-ND2 3.26Å; L444-N447 PolarHBondContact O-N 2.78Å; N447-K449 PolarHBondContact O-N 2.74Å; N447-K449 VanDerWaalsContact O-N 3.15Å; N447-T450 PolarHBondContact O-N 3.36Å; N447-T450 VanDerWaalsContact O-N 3.08Å; N447-T450 PolarHBondContact O-OG1 2.75Å; N447-L451 HydrophobicContact CB-CD1 3.79Å; N447-L451 HydrophobicContact CB-CG 4.29Å; N447-L451 WeakPolarHBondContact O-CB 3.49Å; N447-L451 VanDerWaalsContact O-CG 3.31Å; N447-L451 WeakPolarHBondContact O-CG 3.32Å; N447-L451 PolarHBondContact O-N 3.25Å
448	H	93.6	Very high	94.4	Very high	22 Å²	22	66.9 Å²	66.9	10%	0.102	35%	0.353	C	S	.	.	H	α-helix	trans	-55.4	-38.6	-177.4	71.3	-88.6	0	0	0	113.5	W427 R428 L444 W445 L451 G452 I453	W427-H448 HydrophobicContact CH2-CB 3.57Å; W427-H448 AromaticContact CH2-CG 3.79Å; W427-H448 HydrophobicContact CZ2-CB 3.75Å; R428-H448 PolarHBondContact NH1-CD2 2.83Å; R428-H448 PolarHBondContact NH1-NE2 2.85Å; R428-H448 PolarHBondContact NH2-CD2 3.27Å; L444-H448 VanDerWaalsContact O-CB 3.31Å; L444-H448 WeakPolarHBondContact O-CB 3.25Å; L444-H448 PolarHBondContact O-N 2.97Å; W445-H448 AromaticContact CE3-CE1 3.8Å; W445-H448 PolarHBondContact O-CE1 2.89Å; W445-H448 VanDerWaalsContact O-CE1 3.27Å; W445-H448 PolarHBondContact O-ND1 2.67Å; H448-L451 PolarHBondContact O-N 2.94Å; H448-G452 PolarHBondContact O-N 3.02Å; H448-I453 HydrophobicContact CB-CG1 3.85Å; H448-I453 WeakPolarHBondContact CB-O 3.35Å; H448-I453 PolarHBondContact CD2-O 3.02Å; H448-I453 PolarHBondContact O-N 3.35Å
449	K	93.2	Very high	94.2	Very high	175 Å²	175	67.2 Å²	67.2	76%	0.761	35%	0.354	S	S	*	.	H	α-helix	trans	-66.3	-37	178.6	-63	-177.4	-179.2	174.5	0	113.3	N447	N447-K449 PolarHBondContact O-N 2.74Å; N447-K449 VanDerWaalsContact O-N 3.15Å
450	T	93.9	Very high	94	Very high	114 Å²	114	65.3 Å²	65.3	70%	0.699	35%	0.35	S	S	*	.	H	α-helix	trans	-80.2	-28	178.6	51	0	0	0	0	111.9	N447	N447-T450 PolarHBondContact O-N 3.36Å; N447-T450 VanDerWaalsContact O-N 3.08Å; N447-T450 PolarHBondContact O-OG1 2.75Å
451	L	90.1	Very high	93.8	Very high	81 Å²	81	70.3 Å²	70.3	42%	0.424	38%	0.377	S	S	.	.	H	α-helix	trans	-84.5	-14.8	176.2	-65.4	169.6	0	0	0	113.6	P315 W443 N447 H448 I453	P315-L451 HydrophobicContact CB-CD1 3.74Å; P315-L451 HydrophobicContact CG-CD1 3.76Å; W443-L451 HydrophobicContact CH2-CD1 4.1Å; W443-L451 HydrophobicContact CZ2-CD1 4.41Å; N447-L451 HydrophobicContact CB-CD1 3.79Å; N447-L451 HydrophobicContact CB-CG 4.29Å; N447-L451 WeakPolarHBondContact O-CB 3.49Å; N447-L451 VanDerWaalsContact O-CG 3.31Å; N447-L451 WeakPolarHBondContact O-CG 3.32Å; N447-L451 PolarHBondContact O-N 3.25Å; H448-L451 PolarHBondContact O-N 2.94Å; L451-I453 HydrophobicContact CB-CD1 4.06Å; L451-I453 HydrophobicContact CB-CG1 4.07Å; L451-I453 HydrophobicContact CD1-CD1 4.31Å
452	G	86.6	Confident	93.5	Very high	69 Å²	69	74.6 Å²	74.6	71%	0.711	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	33.6	176.7	0	0	0	0	0	114.9	H448	H448-G452 PolarHBondContact O-N 3.02Å
453	I	85.3	Confident	93.2	Very high	55 Å²	55	77.2 Å²	77.2	28%	0.282	40%	0.403	S	S	.	.			trans	-129.6	0	-174	60.6	-179.2	0	0	0	113.2	W312 P315 R428 L444 H448 L451	W312-I453 HydrophobicContact CH2-CD1 4.16Å; W312-I453 HydrophobicContact CZ3-CB 4.29Å; W312-I453 HydrophobicContact CZ3-CD1 4.39Å; W312-I453 HydrophobicContact CZ3-CG2 4.42Å; P315-I453 HydrophobicContact CG-CD1 3.78Å; R428-I453 PolarHBondContact NH2-O 3.18Å; R428-I453 PolarHBondContact NH2-OXT 3.38Å; L444-I453 HydrophobicContact CD1-CD1 3.72Å; H448-I453 HydrophobicContact CB-CG1 3.85Å; H448-I453 WeakPolarHBondContact CB-O 3.35Å; H448-I453 PolarHBondContact CD2-O 3.02Å; H448-I453 PolarHBondContact O-N 3.35Å; L451-I453 HydrophobicContact CB-CD1 4.06Å; L451-I453 HydrophobicContact CB-CG1 4.07Å; L451-I453 HydrophobicContact CD1-CD1 4.31Å

Retrieved 453 of 453 residues in 93.3 ms (Link to these results)

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