G7NXA0_MACFA Loading...

Death effector domain-containing protein

A scaffold protein that directs CASP3 to certain substrates and facilitates their ordered degradation during apoptosis. May also play a role in mediating CASP3 cleavage of KRT18. Regulates degradation of intermediate filaments during apoptosis. May play a role in the general transcription machinery in the nucleus and might be an important regulator of the activity of GTF3C3. Inhibits DNA transcription in vitro.

AlphaFold DB , UniProt , Accession G7NXA0, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene DEDD, Length 318 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	35	Very low	37.2	Very low	254 Å²	254	160.9 Å²	160.9	100%	1.251	86%	0.862	S	S	*	*				0	112.4	0	-70.8	-155.9	-164	0	0	108.4
2	A	30.2	Very low	37.5	Very low	103 Å²	103	161.3 Å²	161.3	85%	0.851	84%	0.842	S	S	*	*			trans	-130.5	117.5	174.8	0	0	0	0	0	107.9
3	G	31.2	Very low	38	Very low	81 Å²	81	156.9 Å²	156.9	84%	0.835	83%	0.83	S	S	*	*			trans	-71.6	130.8	-173	0	0	0	0	0	112.5	K5	G3-K5 PolarHBondContact O-N 2.67Å
4	L	34.9	Very low	38.7	Very low	175 Å²	175	156.8 Å²	156.8	92%	0.916	82%	0.822	S	S	*	*			trans	-72.8	105.4	174.5	-139.3	74.7	0	0	0	109.3	R6	L4-R6 PolarHBondContact O-N 2.95Å
5	K	35.7	Very low	39.3	Very low	205 Å²	205	151.3 Å²	151.3	89%	0.891	79%	0.791	S	S	*	*			trans	-66	109.3	171.6	-128.8	176.9	-178.1	-178.5	0	108	G3 R7	G3-K5 PolarHBondContact O-N 2.67Å; K5-R7 PolarHBondContact O-N 2.79Å
6	R	38.5	Very low	39.5	Very low	243 Å²	243	149.8 Å²	149.8	92%	0.917	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-60.3	119	171.2	-64.8	-179.7	-149.3	173	6.8	108	L4 A8	L4-R6 PolarHBondContact O-N 2.95Å; R6-A8 PolarHBondContact O-N 2.72Å
7	R	39	Very low	39.9	Very low	248 Å²	248	143 Å²	143	94%	0.936	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-60.7	116.6	167.6	-103.3	178.3	166.2	-177.9	-5	107.4	K5 S9	K5-R7 PolarHBondContact O-N 2.79Å; R7-S9 PolarHBondContact O-N 3.13Å
8	A	39.1	Very low	40.4	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-61.5	124	169.6	0	0	0	0	0	108.5	R6 Q10	R6-A8 PolarHBondContact O-N 2.72Å; A8-Q10 PolarHBondContact O-N 3.4Å
9	S	46.6	Very low	40.9	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	72%	0.716	S	S	*	*			trans	-58.9	115.9	168.3	-53.5	0	0	0	0	108	R7 V11	R7-S9 PolarHBondContact O-N 3.13Å; S9-V11 PolarHBondContact O-N 3.17Å; S9-V11 VanDerWaalsContact O-N 3.14Å
10	Q	39	Very low	41.4	Very low	160 Å²	160	138.5 Å²	138.5	75%	0.748	72%	0.719	S	S	*	*			trans	-66.5	109.8	168.3	-79.3	175.2	-35	0	0	107.3	A8	A8-Q10 PolarHBondContact O-N 3.4Å
11	V	39.8	Very low	42.2	Very low	96 Å²	96	138.9 Å²	138.9	58%	0.582	72%	0.718	S	S	*	*			trans	-77.4	120.4	168	173.5	0	0	0	0	106.3	S9	S9-V11 PolarHBondContact O-N 3.17Å; S9-V11 VanDerWaalsContact O-N 3.14Å
12	W	40.6	Very low	43.8	Very low	165 Å²	165	128.2 Å²	128.2	63%	0.625	67%	0.673	S	S	*	*			trans	-81.1	145.5	-178.7	-69.3	96.6	0	0	0	110.4	E14 E15	W12-E14 PolarHBondContact O-N 2.88Å; W12-E14 VanDerWaalsContact O-N 3.09Å; W12-E15 PolarHBondContact O-N 3.07Å; W12-E15 VanDerWaalsContact O-N 3.09Å
13	P	44.6	Very low	46.1	Very low	105 Å²	105	126.9 Å²	126.9	68%	0.682	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-24.9	179.5	-25.2	34.3	0	0	0	114.5	E15 H16	P13-E15 VanDerWaalsContact C-N 3.3Å; P13-E15 PolarHBondContact O-N 2.93Å; P13-H16 PolarHBondContact O-N 3.31Å
14	E	47.8	Very low	48.5	Very low	155 Å²	155	125.8 Å²	125.8	72%	0.724	62%	0.622	S	S	*	*	H	α-helix	trans	-67.4	-27.5	178.9	-64	175.7	158.4	0	0	112.5	W12 H16 G17 E18	W12-E14 PolarHBondContact O-N 2.88Å; W12-E14 VanDerWaalsContact O-N 3.09Å; E14-H16 PolarHBondContact O-N 3.2Å; E14-G17 PolarHBondContact O-N 2.85Å; E14-E18 PolarHBondContact O-N 2.82Å
15	E	46.9	Very low	51.2	Low	75 Å²	75	118.2 Å²	118.2	35%	0.35	58%	0.583	S	S	.	*	H	α-helix	trans	-67.1	-19.7	178.4	-63.7	-156.5	134.5	0	0	112.9	W12 P13 Q19	W12-E15 PolarHBondContact O-N 3.07Å; W12-E15 VanDerWaalsContact O-N 3.09Å; P13-E15 VanDerWaalsContact C-N 3.3Å; P13-E15 PolarHBondContact O-N 2.93Å; E15-Q19 WeakPolarHBondContact O-CB 3.45Å; E15-Q19 PolarHBondContact O-N 3.47Å
16	H	43.9	Very low	53.9	Low	126 Å²	126	108.6 Å²	108.6	58%	0.583	54%	0.542	S	S	*	.	H	α-helix	trans	-74.8	-35.5	177	-85.3	-74.9	0	0	0	113	P13 E14	P13-H16 PolarHBondContact O-N 3.31Å; E14-H16 PolarHBondContact O-N 3.2Å
17	G	45.5	Very low	56.5	Low	35 Å²	35	101 Å²	101	36%	0.361	52%	0.517	S	S	.	.	H	α-helix	trans	-75.8	-37.2	178	0	0	0	0	0	112.7	E14 Q19 E20 H21	E14-G17 PolarHBondContact O-N 2.85Å; G17-Q19 VanDerWaalsContact C-N 3.26Å; G17-Q19 PolarHBondContact O-N 3.29Å; G17-E20 PolarHBondContact O-N 2.91Å; G17-H21 PolarHBondContact O-CD2 3.31Å
18	E	48.3	Very low	59	Low	48 Å²	48	95.5 Å²	95.5	22%	0.224	50%	0.496	C	S	.	.	H	α-helix	trans	-66.8	-29.4	176.6	-64	-177.3	136.1	0	0	112.7	E14 H21 G22 L23 S25	E14-E18 PolarHBondContact O-N 2.82Å; E18-H21 PolarHBondContact O-N 3.31Å; E18-G22 PolarHBondContact O-N 3.28Å; E18-G22 VanDerWaalsContact O-N 3.14Å; E18-L23 PolarHBondContact O-N 3.32Å; E18-S25 WeakPolarHBondContact OE2-CA 3.42Å; E18-S25 VanDerWaalsContact OE2-CB 3.3Å; E18-S25 WeakPolarHBondContact OE2-CB 3.37Å; E18-S25 PolarHBondContact OE2-N 3.06Å
19	Q	51.3	Low	61.6	Low	122 Å²	122	91.1 Å²	91.1	57%	0.57	46%	0.459	S	S	*	.	H	α-helix	trans	-68.9	-31.2	178.5	-174.1	147.2	88.6	0	0	113	E15 G17	E15-Q19 WeakPolarHBondContact O-CB 3.45Å; E15-Q19 PolarHBondContact O-N 3.47Å; G17-Q19 VanDerWaalsContact C-N 3.26Å; G17-Q19 PolarHBondContact O-N 3.29Å
20	E	50.7	Low	63.9	Low	168 Å²	168	85.8 Å²	85.8	79%	0.785	42%	0.422	S	S	*	.	H	α-helix	trans	-75.3	-28.6	174.4	-66.5	-169.8	158.6	0	0	112.4	G17	G17-E20 PolarHBondContact O-N 2.91Å
21	H	57.8	Low	66.6	Low	148 Å²	148	80 Å²	80	69%	0.685	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	1.1	-179.9	-62.1	-48.4	0	0	0	114.4	G17 E18 L23	G17-H21 PolarHBondContact O-CD2 3.31Å; E18-H21 PolarHBondContact O-N 3.31Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 2.97Å
22	G	67.8	Low	69.1	Low	30 Å²	30	76.9 Å²	76.9	31%	0.309	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	28.9	178.1	0	0	0	0	0	113.8	E18 R105	E18-G22 PolarHBondContact O-N 3.28Å; E18-G22 VanDerWaalsContact O-N 3.14Å; G22-R105 WeakPolarHBondContact O-CB 3.37Å; G22-R105 PolarHBondContact O-N 2.82Å
23	L	79.8	Confident	71.7	Confident	74 Å²	74	69 Å²	69	39%	0.387	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-106.6	152.1	176.1	-60.7	176.1	0	0	0	111.2	E18 H21 L103 K104	E18-L23 PolarHBondContact O-N 3.32Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 2.97Å; L23-L103 CarbonylContact C-O 3.6Å; L23-L103 WeakPolarHBondContact CA-O 3.48Å; L23-L103 HydrophobicContact CD2-CB 4.49Å; L23-K104 HydrophobicContact CD2-CG 4.02Å
24	Y	81.8	Confident	74.1	Confident	58 Å²	58	64.2 Å²	64.2	23%	0.227	32%	0.316	C	S	.	.			trans	-94.8	141.6	165.1	-68.5	-53.8	0	0	0	108.4	R28 I32 L103 R105	Y24-R28 HydrophobicContact CD1-CG 3.74Å; Y24-R28 HydrophobicContact CE1-CG 4.36Å; Y24-R28 HydrophobicContact CG-CG 4.27Å; Y24-I32 HydrophobicContact CD2-CD1 4.11Å; Y24-I32 HydrophobicContact CE1-CD1 4.22Å; Y24-I32 HydrophobicContact CE2-CD1 3.77Å; Y24-I32 HydrophobicContact CG-CD1 4.47Å; Y24-L103 PolarHBondContact N-O 3.03Å; Y24-L103 WeakPolarHBondContact O-CB 3.21Å; Y24-L103 WeakPolarHBondContact O-CD2 3.12Å; Y24-R105 HydrophobicContact CD2-CB 4.49Å; Y24-R105 HydrophobicContact CE1-CB 4.45Å; Y24-R105 HydrophobicContact CE1-CG 3.92Å; Y24-R105 HydrophobicContact CE2-CB 4.17Å; Y24-R105 HydrophobicContact CE2-CG 4.11Å
25	S	90.3	Very high	76.4	Confident	16 Å²	16	61.7 Å²	61.7	11%	0.112	31%	0.311	C	S	.	.			trans	-59.3	154.6	161.6	65.4	0	0	0	0	110.9	E18 H27 R28 M29	E18-S25 WeakPolarHBondContact OE2-CA 3.42Å; E18-S25 VanDerWaalsContact OE2-CB 3.3Å; E18-S25 WeakPolarHBondContact OE2-CB 3.37Å; E18-S25 PolarHBondContact OE2-N 3.06Å; S25-H27 VanDerWaalsContact C-N 3.28Å; S25-H27 PolarHBondContact O-N 3.43Å; S25-R28 WeakPolarHBondContact O-CB 3.28Å; S25-R28 PolarHBondContact O-N 3.13Å; S25-R28 VanDerWaalsContact OG-CB 3.27Å; S25-R28 WeakPolarHBondContact OG-CB 3.45Å; S25-R28 PolarHBondContact OG-N 3.26Å; S25-M29 PolarHBondContact O-N 3.22Å
26	L	92	Very high	78.7	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-54.6	-45.8	176.6	-175.8	62	0	0	0	112.2	R28 M29 F30 E72 E79 F82 L103	L26-R28 VanDerWaalsContact C-N 3.26Å; L26-R28 PolarHBondContact O-N 3.47Å; L26-M29 HydrophobicContact CD1-CE 3.7Å; L26-M29 WeakPolarHBondContact O-CB 3.48Å; L26-M29 PolarHBondContact O-N 3.33Å; L26-M29 VanDerWaalsContact O-N 3.13Å; L26-F30 HydrophobicContact CD1-CD1 4.46Å; L26-F30 HydrophobicContact CD1-CE1 3.74Å; L26-F30 HydrophobicContact CD1-CZ 3.82Å; L26-F30 HydrophobicContact CD2-CE2 4.24Å; L26-F30 HydrophobicContact CD2-CZ 3.9Å; L26-F30 HydrophobicContact CG-CE1 3.98Å; L26-F30 HydrophobicContact CG-CE2 3.98Å; L26-F30 HydrophobicContact CG-CZ 3.63Å; L26-F30 WeakPolarHBondContact O-CG 3.44Å; L26-F30 PolarHBondContact O-N 3.06Å; L26-E72 HydrophobicContact CD2-CG 4.35Å; L26-E72 WeakPolarHBondContact CD2-OE1 3.3Å; L26-E79 HydrophobicContact CB-CG 3.77Å; L26-E79 HydrophobicContact CD2-CG 4.13Å; L26-E79 HydrophobicContact CG-CG 4.36Å; L26-F82 HydrophobicContact CD1-CD1 4.48Å; L26-F82 HydrophobicContact CD1-CE1 3.64Å; L26-F82 HydrophobicContact CD1-CZ 4.49Å; L26-L103 HydrophobicContact CB-CD2 4.46Å; L26-L103 HydrophobicContact CD1-CD2 4.3Å
27	H	93.8	Very high	81.2	Confident	83 Å²	83	57.4 Å²	57.4	38%	0.384	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-32.8	178.7	-61.7	-57.3	0	0	0	112.4	S25 F30 D31 L69 E72	S25-H27 VanDerWaalsContact C-N 3.28Å; S25-H27 PolarHBondContact O-N 3.43Å; H27-F30 WeakPolarHBondContact O-CB 3.38Å; H27-F30 PolarHBondContact O-N 2.96Å; H27-D31 PolarHBondContact O-N 3.37Å; H27-L69 VanDerWaalsContact ND1-CD2 3.3Å; H27-L69 WeakPolarHBondContact ND1-CD2 3.36Å; H27-E72 IonicContact CE1-OE1 2.58Å; H27-E72 IonicContact CE1-OE2 3.24Å; H27-E72 PolarHBondContact CE1-OE2 3.33Å; H27-E72 IonicContact ND1-OE2 3.26Å
28	R	91.8	Very high	83.5	Confident	132 Å²	132	59.2 Å²	59.2	50%	0.498	30%	0.296	S	S	.	.	H	α-helix	trans	-69	-38.7	174.3	-175.4	63.3	-177.5	-160.5	4	111.7	Y24 S25 L26 F30 D31 I32	Y24-R28 HydrophobicContact CD1-CG 3.74Å; Y24-R28 HydrophobicContact CE1-CG 4.36Å; Y24-R28 HydrophobicContact CG-CG 4.27Å; S25-R28 WeakPolarHBondContact O-CB 3.28Å; S25-R28 PolarHBondContact O-N 3.13Å; S25-R28 VanDerWaalsContact OG-CB 3.27Å; S25-R28 WeakPolarHBondContact OG-CB 3.45Å; S25-R28 PolarHBondContact OG-N 3.26Å; L26-R28 VanDerWaalsContact C-N 3.26Å; L26-R28 PolarHBondContact O-N 3.47Å; R28-F30 VanDerWaalsContact C-N 3.31Å; R28-D31 WeakPolarHBondContact O-CB 3.25Å; R28-D31 PolarHBondContact O-N 2.87Å; R28-I32 WeakPolarHBondContact O-CG1 3.26Å; R28-I32 PolarHBondContact O-N 3.39Å; R28-I32 VanDerWaalsContact O-N 3.12Å
29	M	93.7	Very high	85.7	Confident	1 Å²	1	64 Å²	64	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-41.1	170.9	-176.7	-157.1	72	0	0	110.9	S25 L26 D31 I32 V33 F82 Y100 V101 T102 L103	S25-M29 PolarHBondContact O-N 3.22Å; L26-M29 HydrophobicContact CD1-CE 3.7Å; L26-M29 WeakPolarHBondContact O-CB 3.48Å; L26-M29 PolarHBondContact O-N 3.33Å; L26-M29 VanDerWaalsContact O-N 3.13Å; M29-D31 VanDerWaalsContact C-N 3.3Å; M29-D31 PolarHBondContact O-N 3.37Å; M29-I32 PolarHBondContact O-N 2.77Å; M29-V33 HydrophobicContact CG-CG2 4.41Å; M29-V33 WeakPolarHBondContact O-CG2 3.49Å; M29-V33 PolarHBondContact O-N 3.06Å; M29-F82 HydrophobicContact CE-CD1 4.11Å; M29-F82 HydrophobicContact CE-CE1 4.08Å; M29-F82 HydrophobicContact SD-CD1 4.28Å; M29-F82 HydrophobicContact SD-CE1 4.1Å; M29-F82 HydrophobicContact SD-CZ 4.42Å; M29-Y100 WeakPolarHBondContact CG-O 3.34Å; M29-V101 HydrophobicContact CE-CG1 4.3Å; M29-V101 HydrophobicContact SD-CB 4.49Å; M29-V101 HydrophobicContact SD-CG1 3.97Å; M29-T102 PolarHBondContact SD-N 2.98Å; M29-L103 HydrophobicContact CB-CD2 4.36Å; M29-L103 HydrophobicContact SD-CD2 4.39Å
30	F	95.8	Very high	87.8	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-35.2	174.6	-66.3	-12.6	0	0	0	113.1	L26 H27 R28 G34 R65 L68 L69 E72	L26-F30 HydrophobicContact CD1-CD1 4.46Å; L26-F30 HydrophobicContact CD1-CE1 3.74Å; L26-F30 HydrophobicContact CD1-CZ 3.82Å; L26-F30 HydrophobicContact CD2-CE2 4.24Å; L26-F30 HydrophobicContact CD2-CZ 3.9Å; L26-F30 HydrophobicContact CG-CE1 3.98Å; L26-F30 HydrophobicContact CG-CE2 3.98Å; L26-F30 HydrophobicContact CG-CZ 3.63Å; L26-F30 WeakPolarHBondContact O-CG 3.44Å; L26-F30 PolarHBondContact O-N 3.06Å; H27-F30 WeakPolarHBondContact O-CB 3.38Å; H27-F30 PolarHBondContact O-N 2.96Å; R28-F30 VanDerWaalsContact C-N 3.31Å; F30-G34 WeakPolarHBondContact O-CA 3.49Å; F30-G34 PolarHBondContact O-N 2.91Å; F30-R65 HydrophobicContact CB-CG 4.47Å; F30-L68 HydrophobicContact CB-CB 4.2Å; F30-L68 HydrophobicContact CB-CD1 4.13Å; F30-L68 HydrophobicContact CD1-CB 3.82Å; F30-L68 HydrophobicContact CD1-CD1 3.91Å; F30-L68 HydrophobicContact CD1-CG 4.36Å; F30-L68 HydrophobicContact CD2-CB 4.02Å; F30-L68 HydrophobicContact CE1-CB 4.13Å; F30-L68 HydrophobicContact CE2-CB 4.33Å; F30-L68 HydrophobicContact CG-CB 3.76Å; F30-L68 HydrophobicContact CG-CD1 4.21Å; F30-L68 HydrophobicContact CZ-CB 4.38Å; F30-L69 HydrophobicContact CD2-CD2 3.85Å; F30-L69 HydrophobicContact CD2-CG 4.22Å; F30-L69 HydrophobicContact CE2-CD2 4.2Å; F30-E72 HydrophobicContact CE2-CB 3.99Å; F30-E72 HydrophobicContact CE2-CG 4.47Å; F30-E72 WeakPolarHBondContact CE2-OE2 3.46Å; F30-E72 HydrophobicContact CZ-CB 4.21Å
31	D	94.3	Very high	89.9	Confident	38 Å²	38	60.6 Å²	60.6	20%	0.203	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-46.6	172.4	-81.2	-29.4	0	0	0	111.7	H27 R28 M29 T35 R65	H27-D31 PolarHBondContact O-N 3.37Å; R28-D31 WeakPolarHBondContact O-CB 3.25Å; R28-D31 PolarHBondContact O-N 2.87Å; M29-D31 VanDerWaalsContact C-N 3.3Å; M29-D31 PolarHBondContact O-N 3.37Å; D31-T35 VanDerWaalsContact O-CB 3.3Å; D31-T35 WeakPolarHBondContact O-CB 3.49Å; D31-T35 WeakPolarHBondContact O-CG2 3.17Å; D31-T35 PolarHBondContact O-N 3.3Å; D31-T35 PolarHBondContact O-OG1 3.16Å; D31-R65 VanDerWaalsContact CG-NH1 3.25Å; D31-R65 WeakPolarHBondContact OD1-CD 3.26Å; D31-R65 IonicContact OD1-CZ 3.61Å; D31-R65 IonicContact OD1-NE 2.95Å; D31-R65 PolarHBondContact OD1-NE 2.89Å; D31-R65 VanDerWaalsContact OD1-NE 3.17Å; D31-R65 IonicContact OD1-NH1 2.95Å; D31-R65 PolarHBondContact OD1-NH1 3.26Å; D31-R65 IonicContact OD1-NH2 3.36Å; D31-R65 IonicContact OD2-CZ 2.87Å; D31-R65 IonicContact OD2-NH1 3.22Å; D31-R65 PolarHBondContact OD2-NH1 3.34Å; D31-R65 VanDerWaalsContact OD2-NH1 3.13Å; D31-R65 IonicContact OD2-NH2 3.2Å
32	I	93.1	Very high	91.6	Very high	32 Å²	32	53.9 Å²	53.9	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-51.9	-179.6	-63.9	164.7	0	0	0	110.3	Y24 R28 M29 T35 H36 Y100	Y24-I32 HydrophobicContact CD2-CD1 4.11Å; Y24-I32 HydrophobicContact CE1-CD1 4.22Å; Y24-I32 HydrophobicContact CE2-CD1 3.77Å; Y24-I32 HydrophobicContact CG-CD1 4.47Å; R28-I32 WeakPolarHBondContact O-CG1 3.26Å; R28-I32 PolarHBondContact O-N 3.39Å; R28-I32 VanDerWaalsContact O-N 3.12Å; M29-I32 PolarHBondContact O-N 2.77Å; I32-T35 PolarHBondContact O-OG1 3.03Å; I32-T35 VanDerWaalsContact O-OG1 3.12Å; I32-H36 PolarHBondContact O-CD2 2.87Å; I32-Y100 HydrophobicContact CG2-CD1 3.89Å; I32-Y100 HydrophobicContact CG2-CG 4.25Å
33	V	95	Very high	92.8	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-45.7	-177.8	177.8	0	0	0	0	110.9	M29 T35 H36 L37 L68 L89 L97 V101	M29-V33 HydrophobicContact CG-CG2 4.41Å; M29-V33 WeakPolarHBondContact O-CG2 3.49Å; M29-V33 PolarHBondContact O-N 3.06Å; V33-T35 PolarHBondContact O-N 3.42Å; V33-H36 PolarHBondContact O-N 2.78Å; V33-H36 VanDerWaalsContact O-N 3.15Å; V33-L37 PolarHBondContact O-N 3.11Å; V33-L68 HydrophobicContact CB-CD1 4.13Å; V33-L68 HydrophobicContact CG1-CD1 4.1Å; V33-L89 HydrophobicContact CG1-CD1 4.22Å; V33-L89 HydrophobicContact CG1-CD2 4.36Å; V33-L97 HydrophobicContact CG1-CD1 4.34Å; V33-V101 HydrophobicContact CG2-CG2 4.08Å
34	G	95.6	Very high	93.4	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-67.5	-32.1	-173.4	0	0	0	0	0	114	F30 H36 L37	F30-G34 WeakPolarHBondContact O-CA 3.49Å; F30-G34 PolarHBondContact O-N 2.91Å; G34-H36 VanDerWaalsContact C-N 3.25Å; G34-H36 PolarHBondContact O-N 3.08Å; G34-L37 PolarHBondContact O-N 3.47Å
35	T	95.3	Very high	94	Very high	103 Å²	103	58.7 Å²	58.7	63%	0.632	27%	0.273	S	S	*	.	H	α-helix	trans	-69.2	-24	174.2	51.4	0	0	0	0	113	D31 I32 V33	D31-T35 VanDerWaalsContact O-CB 3.3Å; D31-T35 WeakPolarHBondContact O-CB 3.49Å; D31-T35 WeakPolarHBondContact O-CG2 3.17Å; D31-T35 PolarHBondContact O-N 3.3Å; D31-T35 PolarHBondContact O-OG1 3.16Å; I32-T35 PolarHBondContact O-OG1 3.03Å; I32-T35 VanDerWaalsContact O-OG1 3.12Å; V33-T35 PolarHBondContact O-N 3.42Å
36	H	95.4	Very high	94	Very high	98 Å²	98	58.9 Å²	58.9	45%	0.454	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.8	176.9	-64.6	-57.5	0	0	0	114	I32 V33 G34 R94 L97	I32-H36 PolarHBondContact O-CD2 2.87Å; V33-H36 PolarHBondContact O-N 2.78Å; V33-H36 VanDerWaalsContact O-N 3.15Å; G34-H36 VanDerWaalsContact C-N 3.25Å; G34-H36 PolarHBondContact O-N 3.08Å; H36-R94 PolarHBondContact O-NH2 3.28Å; H36-L97 HydrophobicContact CB-CD1 4.03Å; H36-L97 HydrophobicContact CB-CD2 3.45Å; H36-L97 VanDerWaalsContact CB-CD2 3.45Å; H36-L97 HydrophobicContact CB-CG 4.38Å
37	L	95.9	Very high	93.8	Very high	13 Å²	13	66.2 Å²	66.2	7%	0.068	31%	0.306	C	S	.	.	S	Bend	trans	-87.2	124.6	168.4	-70	176.1	0	0	0	109.8	V33 G34 D41 V42 L45 L89 I92 R94 L97	V33-L37 PolarHBondContact O-N 3.11Å; G34-L37 PolarHBondContact O-N 3.47Å; L37-D41 HydrophobicContact CB-CB 4.4Å; L37-D41 HydrophobicContact CD2-CB 4.12Å; L37-V42 HydrophobicContact CB-CG2 4.38Å; L37-L45 HydrophobicContact CD1-CD1 4.17Å; L37-L89 HydrophobicContact CD2-CD2 3.87Å; L37-I92 HydrophobicContact CD2-CD1 3.64Å; L37-R94 HydrophobicContact CD2-CG 4.35Å; L37-L97 HydrophobicContact CD2-CD1 3.78Å; L37-L97 HydrophobicContact CG-CD1 4.21Å
38	T	94.5	Very high	93.6	Very high	73 Å²	73	66.1 Å²	66.1	45%	0.448	31%	0.308	S	S	.	.			trans	-74.6	161.7	179.3	69.8	0	0	0	0	111.2	R40 D41 V42	T38-R40 PolarHBondContact O-N 3.49Å; T38-R40 PolarHBondContact OG1-N 2.88Å; T38-D41 WeakPolarHBondContact CB-OD2 3.46Å; T38-D41 PolarHBondContact N-OD2 3.2Å; T38-D41 WeakPolarHBondContact O-CB 3.45Å; T38-D41 PolarHBondContact O-N 2.91Å; T38-D41 PolarHBondContact OG1-N 3.31Å; T38-D41 PolarHBondContact OG1-OD2 2.72Å; T38-V42 WeakPolarHBondContact O-CG2 3.34Å; T38-V42 PolarHBondContact O-N 3.09Å
39	H	94.4	Very high	93.4	Very high	148 Å²	148	60.5 Å²	60.5	69%	0.685	29%	0.288	S	S	*	.	H	α-helix	trans	-56.8	-31.3	172.5	-76.2	-65.4	0	0	0	113	R43	H39-R43 VanDerWaalsContact O-CG 3.3Å; H39-R43 WeakPolarHBondContact O-CG 3.39Å; H39-R43 PolarHBondContact O-N 3.49Å; H39-R43 VanDerWaalsContact O-N 3.13Å
40	R	94.2	Very high	93	Very high	200 Å²	200	63.4 Å²	63.4	76%	0.755	31%	0.305	S	S	*	.	H	α-helix	trans	-65.4	-46.4	174.6	-176.6	179.2	-179	166.9	0	110.7	T38 R43 V44	T38-R40 PolarHBondContact O-N 3.49Å; T38-R40 PolarHBondContact OG1-N 2.88Å; R40-R43 PolarHBondContact O-N 3.46Å; R40-V44 WeakPolarHBondContact O-CG2 3.48Å; R40-V44 PolarHBondContact O-N 3.2Å
41	D	95.6	Very high	92.5	Very high	19 Å²	19	70.9 Å²	70.9	10%	0.102	35%	0.345	C	S	.	.	H	α-helix	trans	-57.7	-52.8	177.2	-56.9	-39.1	0	0	0	109.9	L37 T38 R43 V44 L45 I92 R94	L37-D41 HydrophobicContact CB-CB 4.4Å; L37-D41 HydrophobicContact CD2-CB 4.12Å; T38-D41 WeakPolarHBondContact CB-OD2 3.46Å; T38-D41 PolarHBondContact N-OD2 3.2Å; T38-D41 WeakPolarHBondContact O-CB 3.45Å; T38-D41 PolarHBondContact O-N 2.91Å; T38-D41 PolarHBondContact OG1-N 3.31Å; T38-D41 PolarHBondContact OG1-OD2 2.72Å; D41-R43 VanDerWaalsContact C-N 3.26Å; D41-R43 PolarHBondContact O-N 3.25Å; D41-V44 PolarHBondContact O-N 3.32Å; D41-L45 WeakPolarHBondContact O-CB 3.31Å; D41-L45 VanDerWaalsContact O-CG 3.22Å; D41-L45 WeakPolarHBondContact O-CG 3.44Å; D41-L45 PolarHBondContact O-N 3.47Å; D41-I92 HydrophobicContact CB-CD1 3.87Å; D41-R94 IonicContact OD2-NE 3.36Å
42	V	94.1	Very high	92.1	Very high	7 Å²	7	70.9 Å²	70.9	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-55.9	-39.8	-179.5	178.6	0	0	0	0	112.1	L37 T38 L45 S46 I61	L37-V42 HydrophobicContact CB-CG2 4.38Å; T38-V42 WeakPolarHBondContact O-CG2 3.34Å; T38-V42 PolarHBondContact O-N 3.09Å; V42-L45 PolarHBondContact O-N 3.05Å; V42-S46 VanDerWaalsContact O-CB 3.31Å; V42-S46 WeakPolarHBondContact O-CB 3.3Å; V42-S46 PolarHBondContact O-N 3.08Å; V42-S46 PolarHBondContact O-OG 3.32Å; V42-I61 HydrophobicContact CG1-CG2 3.69Å
43	R	92	Very high	91.8	Very high	201 Å²	201	69.4 Å²	69.4	76%	0.758	34%	0.339	S	S	*	.	H	α-helix	trans	-66.6	-44	176.2	-72.9	180	72.6	174.3	4	112.5	H39 R40 D41 L45 S46 F47	H39-R43 VanDerWaalsContact O-CG 3.3Å; H39-R43 WeakPolarHBondContact O-CG 3.39Å; H39-R43 PolarHBondContact O-N 3.49Å; H39-R43 VanDerWaalsContact O-N 3.13Å; R40-R43 PolarHBondContact O-N 3.46Å; D41-R43 VanDerWaalsContact C-N 3.26Å; D41-R43 PolarHBondContact O-N 3.25Å; R43-L45 VanDerWaalsContact C-N 3.34Å; R43-S46 PolarHBondContact O-N 3.43Å; R43-F47 PolarHBondContact O-N 3.19Å; R43-F47 VanDerWaalsContact O-N 3.11Å
44	V	93.8	Very high	91.4	Very high	62 Å²	62	74.4 Å²	74.4	38%	0.376	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-44.8	176	172.4	0	0	0	0	110.2	R40 D41 F47 L48 I92	R40-V44 WeakPolarHBondContact O-CG2 3.48Å; R40-V44 PolarHBondContact O-N 3.2Å; D41-V44 PolarHBondContact O-N 3.32Å; V44-F47 WeakPolarHBondContact O-CB 3.4Å; V44-F47 PolarHBondContact O-N 3.03Å; V44-L48 HydrophobicContact CG1-CD1 3.93Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CG 3.42Å; V44-L48 PolarHBondContact O-N 3.35Å; V44-I92 HydrophobicContact CG1-CG2 3.96Å
45	L	92.8	Very high	90.8	Very high	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-63.4	-43.7	178.5	-65.4	-178.6	0	0	0	112.6	L37 D41 V42 R43 F47 L48 F49 F67 L88 I92	L37-L45 HydrophobicContact CD1-CD1 4.17Å; D41-L45 WeakPolarHBondContact O-CB 3.31Å; D41-L45 VanDerWaalsContact O-CG 3.22Å; D41-L45 WeakPolarHBondContact O-CG 3.44Å; D41-L45 PolarHBondContact O-N 3.47Å; V42-L45 PolarHBondContact O-N 3.05Å; R43-L45 VanDerWaalsContact C-N 3.34Å; L45-F47 PolarHBondContact O-N 3.25Å; L45-L48 HydrophobicContact CD2-CD1 4.39Å; L45-L48 PolarHBondContact O-N 2.94Å; L45-F49 WeakPolarHBondContact O-CD2 3.25Å; L45-F49 PolarHBondContact O-N 2.96Å; L45-F49 VanDerWaalsContact O-N 3.09Å; L45-F67 HydrophobicContact CB-CD1 4.38Å; L45-F67 HydrophobicContact CB-CD2 4.06Å; L45-F67 HydrophobicContact CB-CE1 4.01Å; L45-F67 HydrophobicContact CB-CE2 3.66Å; L45-F67 HydrophobicContact CB-CG 4.43Å; L45-F67 HydrophobicContact CB-CZ 3.65Å; L45-F67 HydrophobicContact CD1-CD1 3.99Å; L45-F67 HydrophobicContact CD1-CE1 3.97Å; L45-F67 HydrophobicContact CD1-CZ 4.47Å; L45-F67 HydrophobicContact CG-CE1 4.49Å; L45-L88 HydrophobicContact CB-CD1 4.48Å; L45-L88 HydrophobicContact CD1-CD1 4.06Å; L45-L88 HydrophobicContact CD1-CD2 3.58Å; L45-L88 HydrophobicContact CD1-CG 4.16Å; L45-L88 HydrophobicContact CD2-CD1 3.44Å; L45-L88 VanDerWaalsContact CD2-CD1 3.44Å; L45-L88 HydrophobicContact CD2-CD2 3.62Å; L45-L88 HydrophobicContact CD2-CG 3.3Å; L45-L88 HydrophobicContact CG-CD1 4.15Å; L45-L88 HydrophobicContact CG-CD2 4.18Å; L45-L88 HydrophobicContact CG-CG 4.27Å; L45-I92 HydrophobicContact CD1-CD1 4.13Å; L45-I92 HydrophobicContact CD2-CB 4.46Å; L45-I92 HydrophobicContact CD2-CD1 4.2Å; L45-I92 HydrophobicContact CD2-CG1 4.44Å; L45-I92 HydrophobicContact CD2-CG2 3.31Å; L45-I92 HydrophobicContact CG-CD1 4.33Å; L45-I92 HydrophobicContact CG-CG2 4.08Å
46	S	90.3	Very high	90.3	Very high	19 Å²	19	82.3 Å²	82.3	13%	0.133	40%	0.398	C	S	.	.	H	α-helix	trans	-61.8	-32.2	176.5	-58.4	0	0	0	0	111.9	V42 R43	V42-S46 VanDerWaalsContact O-CB 3.31Å; V42-S46 WeakPolarHBondContact O-CB 3.3Å; V42-S46 PolarHBondContact O-N 3.08Å; V42-S46 PolarHBondContact O-OG 3.32Å; R43-S46 PolarHBondContact O-N 3.43Å
47	F	89.4	Confident	89.7	Confident	159 Å²	159	79.1 Å²	79.1	70%	0.697	38%	0.384	S	S	*	.	H	α-helix	trans	-73.6	-44.7	173.4	179.7	-97	0	0	0	112.3	R43 V44 L45 F49 V50	R43-F47 PolarHBondContact O-N 3.19Å; R43-F47 VanDerWaalsContact O-N 3.11Å; V44-F47 WeakPolarHBondContact O-CB 3.4Å; V44-F47 PolarHBondContact O-N 3.03Å; L45-F47 PolarHBondContact O-N 3.25Å; F47-F49 PolarHBondContact O-N 3.23Å; F47-V50 PolarHBondContact O-N 3.42Å
48	L	88.6	Confident	89.2	Confident	81 Å²	81	81.2 Å²	81.2	42%	0.424	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-23.4	179.7	-71.9	173.7	0	0	0	113.5	V44 L45 I91	V44-L48 HydrophobicContact CG1-CD1 3.93Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CG 3.42Å; V44-L48 PolarHBondContact O-N 3.35Å; L45-L48 HydrophobicContact CD2-CD1 4.39Å; L45-L48 PolarHBondContact O-N 2.94Å; L48-I91 HydrophobicContact CD1-CG2 3.69Å
49	F	86.9	Confident	88.8	Confident	14 Å²	14	80.8 Å²	80.8	6%	0.061	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	25.2	-177.2	-75.7	-103.2	0	0	0	112.8	L45 F47 D51 V52 I53 F67 L71 Q84 L88	L45-F49 WeakPolarHBondContact O-CD2 3.25Å; L45-F49 PolarHBondContact O-N 2.96Å; L45-F49 VanDerWaalsContact O-N 3.09Å; F47-F49 PolarHBondContact O-N 3.23Å; F49-D51 PolarHBondContact O-N 2.81Å; F49-V52 HydrophobicContact CB-CB 4.28Å; F49-V52 HydrophobicContact CD1-CB 3.83Å; F49-V52 HydrophobicContact CD1-CG1 3.97Å; F49-V52 HydrophobicContact CD1-CG2 3.94Å; F49-V52 PolarHBondContact O-N 3.04Å; F49-I53 HydrophobicContact CB-CD1 4.03Å; F49-I53 HydrophobicContact CB-CG1 4.27Å; F49-I53 PolarHBondContact O-N 2.65Å; F49-F67 HydrophobicContact CB-CE2 4.41Å; F49-F67 HydrophobicContact CB-CZ 4.37Å; F49-F67 AromaticContact CD2-CZ 3.96Å; F49-F67 HydrophobicContact CD2-CZ 3.96Å; F49-F67 HydrophobicContact CG-CZ 4.11Å; F49-L71 HydrophobicContact CD1-CD2 3.64Å; F49-L71 HydrophobicContact CE1-CD2 3.71Å; F49-L71 HydrophobicContact CG-CD2 4.4Å; F49-Q84 HydrophobicContact CE1-CG 4.29Å; F49-Q84 HydrophobicContact CZ-CG 4.35Å; F49-L88 HydrophobicContact CD2-CD1 4.28Å; F49-L88 HydrophobicContact CE2-CD1 3.6Å; F49-L88 HydrophobicContact CZ-CD1 3.97Å
50	V	86.6	Confident	88.5	Confident	62 Å²	62	78.1 Å²	78.1	38%	0.376	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.2	176.8	68.9	0	0	0	0	112.1	F47 V52 R58	F47-V50 PolarHBondContact O-N 3.42Å; V50-V52 VanDerWaalsContact C-N 3.29Å; V50-V52 PolarHBondContact O-N 3.2Å; V50-R58 PolarHBondContact O-NH2 2.89Å
51	D	85.9	Confident	88.4	Confident	156 Å²	156	69.7 Å²	69.7	83%	0.834	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.5	-179.1	-56.5	-44.3	0	0	0	113.8	F49	F49-D51 PolarHBondContact O-N 2.81Å
52	V	85.2	Confident	88.2	Confident	38 Å²	38	78.1 Å²	78.1	23%	0.23	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-36.2	-173.5	-179.6	0	0	0	0	112	F49 V50 R76	F49-V52 HydrophobicContact CB-CB 4.28Å; F49-V52 HydrophobicContact CD1-CB 3.83Å; F49-V52 HydrophobicContact CD1-CG1 3.97Å; F49-V52 HydrophobicContact CD1-CG2 3.94Å; F49-V52 PolarHBondContact O-N 3.04Å; V50-V52 VanDerWaalsContact C-N 3.29Å; V50-V52 PolarHBondContact O-N 3.2Å; V52-R76 HydrophobicContact CG1-CG 4.01Å; V52-R76 VanDerWaalsContact CG1-NH1 3.26Å
53	I	86.9	Confident	88.2	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.01	41%	0.405	C	S	.	.	S	Bend	trans	-109.3	124.6	-179.4	-58.9	172.7	0	0	0	107.7	F49 E57 R58 I61 F67 A70 L71 Q74	F49-I53 HydrophobicContact CB-CD1 4.03Å; F49-I53 HydrophobicContact CB-CG1 4.27Å; F49-I53 PolarHBondContact O-N 2.65Å; I53-E57 HydrophobicContact CG2-CB 3.78Å; I53-R58 HydrophobicContact CG2-CB 4.31Å; I53-R58 PolarHBondContact O-NH2 2.52Å; I53-I61 HydrophobicContact CD1-CD1 4.14Å; I53-I61 HydrophobicContact CG2-CD1 4.32Å; I53-F67 HydrophobicContact CD1-CD2 4.25Å; I53-F67 HydrophobicContact CD1-CE2 3.73Å; I53-F67 HydrophobicContact CD1-CZ 4.23Å; I53-A70 HydrophobicContact CD1-CB 4.11Å; I53-A70 HydrophobicContact CG2-CB 4.38Å; I53-L71 HydrophobicContact CD1-CD2 4.29Å; I53-Q74 HydrophobicContact CG1-CG 4.43Å
54	D	85.3	Confident	88.3	Confident	105 Å²	105	71.2 Å²	71.2	56%	0.561	37%	0.369	S	S	*	.			trans	-58.1	150.1	179.9	-66.7	-43.1	0	0	0	112.6	H56 E57 R58	D54-H56 PolarHBondContact O-N 3.39Å; D54-H56 VanDerWaalsContact O-N 3.13Å; D54-E57 PolarHBondContact O-N 2.95Å; D54-E57 VanDerWaalsContact O-N 3.07Å; D54-R58 WeakPolarHBondContact O-CB 3.46Å; D54-R58 PolarHBondContact O-N 2.84Å
55	D	83.7	Confident	88.4	Confident	122 Å²	122	72.6 Å²	72.6	65%	0.652	37%	0.367	S	S	*	.	H	α-helix	trans	-55.8	-34.9	-178.4	-72.6	-16.6	0	0	0	113	R58 G59	D55-R58 IonicContact OD1-CZ 3.8Å; D55-R58 IonicContact OD1-NH1 2.67Å; D55-R58 PolarHBondContact OD1-NH1 3.09Å; D55-R58 IonicContact OD1-NH2 2.87Å; D55-R58 PolarHBondContact OD1-NH2 2.87Å; D55-G59 PolarHBondContact O-N 3.36Å; D55-G59 VanDerWaalsContact O-N 3.17Å
56	H	84.3	Confident	88.5	Confident	149 Å²	149	74.8 Å²	74.8	69%	0.69	38%	0.379	S	S	*	.	H	α-helix	trans	-65.5	-49.5	176.4	-177.7	68.4	0	0	0	112	D54 R58 G59	D54-H56 PolarHBondContact O-N 3.39Å; D54-H56 VanDerWaalsContact O-N 3.13Å; H56-R58 VanDerWaalsContact C-N 3.34Å; H56-G59 PolarHBondContact O-N 3.29Å
57	E	82.9	Confident	88.7	Confident	32 Å²	32	73.9 Å²	73.9	15%	0.15	37%	0.372	C	S	.	.	H	α-helix	trans	-67.8	-37.4	179.1	-71.2	-153.8	122.1	0	0	111.5	I53 D54 G59 L60 I61 R73 Q74	I53-E57 HydrophobicContact CG2-CB 3.78Å; D54-E57 PolarHBondContact O-N 2.95Å; D54-E57 VanDerWaalsContact O-N 3.07Å; E57-G59 PolarHBondContact O-N 3.13Å; E57-L60 WeakPolarHBondContact O-CA 3.48Å; E57-L60 WeakPolarHBondContact O-CB 3.4Å; E57-L60 PolarHBondContact O-N 3.19Å; E57-I61 PolarHBondContact O-N 3.45Å; E57-R73 WeakPolarHBondContact OE1-CD 3.4Å; E57-R73 IonicContact OE1-NH1 3.21Å; E57-R73 PolarHBondContact OE1-NH1 3.34Å; E57-Q74 PolarHBondContact OE2-NE2 3.19Å
58	R	86.3	Confident	89	Confident	56 Å²	56	66.3 Å²	66.3	21%	0.211	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-35.1	176.7	-156.3	-175.9	-50	122.4	9.2	112	V50 I53 D54 D55 H56 L60 I61	V50-R58 PolarHBondContact O-NH2 2.89Å; I53-R58 HydrophobicContact CG2-CB 4.31Å; I53-R58 PolarHBondContact O-NH2 2.52Å; D54-R58 WeakPolarHBondContact O-CB 3.46Å; D54-R58 PolarHBondContact O-N 2.84Å; D55-R58 IonicContact OD1-CZ 3.8Å; D55-R58 IonicContact OD1-NH1 2.67Å; D55-R58 PolarHBondContact OD1-NH1 3.09Å; D55-R58 IonicContact OD1-NH2 2.87Å; D55-R58 PolarHBondContact OD1-NH2 2.87Å; H56-R58 VanDerWaalsContact C-N 3.34Å; R58-L60 PolarHBondContact O-N 3Å; R58-I61 HydrophobicContact CG-CD1 4.48Å; R58-I61 PolarHBondContact O-N 3.44Å
59	G	84.7	Confident	89.3	Confident	64 Å²	64	63.9 Å²	63.9	66%	0.66	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-18	173.4	0	0	0	0	0	114.6	D55 H56 E57	D55-G59 PolarHBondContact O-N 3.36Å; D55-G59 VanDerWaalsContact O-N 3.17Å; H56-G59 PolarHBondContact O-N 3.29Å; E57-G59 PolarHBondContact O-N 3.13Å
60	L	88.3	Confident	89.6	Confident	93 Å²	93	63.4 Å²	63.4	49%	0.487	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-12.6	178.4	-59.9	175.9	0	0	0	113.2	E57 R58 R62	E57-L60 WeakPolarHBondContact O-CA 3.48Å; E57-L60 WeakPolarHBondContact O-CB 3.4Å; E57-L60 PolarHBondContact O-N 3.19Å; R58-L60 PolarHBondContact O-N 3Å; L60-R62 PolarHBondContact O-N 3.04Å
61	I	92.4	Very high	89.9	Confident	22 Å²	22	60.5 Å²	60.5	11%	0.113	31%	0.308	C	S	.	.			trans	-75.7	109.7	-177.1	-60.9	174.6	0	0	0	110	V42 I53 E57 R58 D66 F67 A70	V42-I61 HydrophobicContact CG1-CG2 3.69Å; I53-I61 HydrophobicContact CD1-CD1 4.14Å; I53-I61 HydrophobicContact CG2-CD1 4.32Å; E57-I61 PolarHBondContact O-N 3.45Å; R58-I61 HydrophobicContact CG-CD1 4.48Å; R58-I61 PolarHBondContact O-N 3.44Å; I61-D66 HydrophobicContact CG2-CB 4.41Å; I61-F67 HydrophobicContact CD1-CD2 3.87Å; I61-F67 HydrophobicContact CG2-CB 3.71Å; I61-F67 HydrophobicContact CG2-CD2 4.29Å; I61-A70 HydrophobicContact CD1-CB 4.07Å; I61-A70 HydrophobicContact CG1-CB 4.42Å
62	R	91.4	Very high	90.3	Very high	196 Å²	196	55.7 Å²	55.7	74%	0.74	28%	0.28	S	S	*	.			trans	-107.1	-27.1	179.4	-58.7	-179.4	179.3	-156.6	-1.9	113.3	L60 D66	L60-R62 PolarHBondContact O-N 3.04Å; R62-D66 WeakPolarHBondContact CB-OD2 3.48Å; R62-D66 PolarHBondContact N-OD2 3.36Å
63	N	94.3	Very high	90.6	Very high	63 Å²	63	61.8 Å²	61.8	34%	0.337	30%	0.299	S	S	.	.	S	Bend	trans	-144.7	177.4	-176.8	62.3	55.5	0	0	0	111	R65 D66 F67	N63-R65 VanDerWaalsContact C-N 3.31Å; N63-R65 PolarHBondContact O-N 3.03Å; N63-R65 WeakPolarHBondContact OD1-CA 3.31Å; N63-R65 VanDerWaalsContact OD1-CB 3.28Å; N63-R65 WeakPolarHBondContact OD1-CB 3.32Å; N63-R65 PolarHBondContact OD1-N 3.29Å; N63-D66 PolarHBondContact N-OD2 2.94Å; N63-D66 PolarHBondContact ND2-OD2 3.41Å; N63-D66 VanDerWaalsContact ND2-OD2 3.08Å; N63-D66 PolarHBondContact O-N 3.24Å; N63-D66 PolarHBondContact OD1-N 3.41Å; N63-D66 PolarHBondContact OD1-OD1 2.91Å; N63-D66 PolarHBondContact OD1-OD2 3.05Å; N63-F67 PolarHBondContact O-N 3.16Å
64	G	95	Very high	90.8	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-31.9	-179	0	0	0	0	0	114.2	F67 L68	G64-F67 PolarHBondContact O-N 3.45Å; G64-L68 WeakPolarHBondContact O-CG 3.4Å; G64-L68 PolarHBondContact O-N 2.83Å
65	R	95.7	Very high	90.9	Very high	92 Å²	92	62.8 Å²	62.8	35%	0.347	32%	0.317	S	S	.	.	H	α-helix	trans	-65.2	-47.9	176	-178	-154.5	177.8	140.2	-1.6	110.4	F30 D31 N63 F67 L68 L69	F30-R65 HydrophobicContact CB-CG 4.47Å; D31-R65 VanDerWaalsContact CG-NH1 3.25Å; D31-R65 WeakPolarHBondContact OD1-CD 3.26Å; D31-R65 IonicContact OD1-CZ 3.61Å; D31-R65 IonicContact OD1-NE 2.95Å; D31-R65 PolarHBondContact OD1-NE 2.89Å; D31-R65 VanDerWaalsContact OD1-NE 3.17Å; D31-R65 IonicContact OD1-NH1 2.95Å; D31-R65 PolarHBondContact OD1-NH1 3.26Å; D31-R65 IonicContact OD1-NH2 3.36Å; D31-R65 IonicContact OD2-CZ 2.87Å; D31-R65 IonicContact OD2-NH1 3.22Å; D31-R65 PolarHBondContact OD2-NH1 3.34Å; D31-R65 VanDerWaalsContact OD2-NH1 3.13Å; D31-R65 IonicContact OD2-NH2 3.2Å; N63-R65 VanDerWaalsContact C-N 3.31Å; N63-R65 PolarHBondContact O-N 3.03Å; N63-R65 WeakPolarHBondContact OD1-CA 3.31Å; N63-R65 VanDerWaalsContact OD1-CB 3.28Å; N63-R65 WeakPolarHBondContact OD1-CB 3.32Å; N63-R65 PolarHBondContact OD1-N 3.29Å; R65-F67 PolarHBondContact O-N 2.95Å; R65-L68 PolarHBondContact O-N 3.18Å; R65-L68 VanDerWaalsContact O-N 3.16Å; R65-L69 HydrophobicContact CG-CD1 4.18Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; R65-L69 PolarHBondContact O-N 3.13Å
66	D	94.7	Very high	91.2	Very high	45 Å²	45	61 Å²	61	24%	0.241	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-39.1	178.8	-56.9	-23.7	0	0	0	111	I61 R62 N63 L69 A70	I61-D66 HydrophobicContact CG2-CB 4.41Å; R62-D66 WeakPolarHBondContact CB-OD2 3.48Å; R62-D66 PolarHBondContact N-OD2 3.36Å; N63-D66 PolarHBondContact N-OD2 2.94Å; N63-D66 PolarHBondContact ND2-OD2 3.41Å; N63-D66 VanDerWaalsContact ND2-OD2 3.08Å; N63-D66 PolarHBondContact O-N 3.24Å; N63-D66 PolarHBondContact OD1-N 3.41Å; N63-D66 PolarHBondContact OD1-OD1 2.91Å; N63-D66 PolarHBondContact OD1-OD2 3.05Å; D66-L69 PolarHBondContact O-N 2.92Å; D66-A70 PolarHBondContact O-N 3.46Å
67	F	95.1	Very high	91.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-45	176.2	-179.7	-87.4	0	0	0	112.2	L45 F49 I53 I61 N63 G64 R65 L69 A70 L71 L88	L45-F67 HydrophobicContact CB-CD1 4.38Å; L45-F67 HydrophobicContact CB-CD2 4.06Å; L45-F67 HydrophobicContact CB-CE1 4.01Å; L45-F67 HydrophobicContact CB-CE2 3.66Å; L45-F67 HydrophobicContact CB-CG 4.43Å; L45-F67 HydrophobicContact CB-CZ 3.65Å; L45-F67 HydrophobicContact CD1-CD1 3.99Å; L45-F67 HydrophobicContact CD1-CE1 3.97Å; L45-F67 HydrophobicContact CD1-CZ 4.47Å; L45-F67 HydrophobicContact CG-CE1 4.49Å; F49-F67 HydrophobicContact CB-CE2 4.41Å; F49-F67 HydrophobicContact CB-CZ 4.37Å; F49-F67 AromaticContact CD2-CZ 3.96Å; F49-F67 HydrophobicContact CD2-CZ 3.96Å; F49-F67 HydrophobicContact CG-CZ 4.11Å; I53-F67 HydrophobicContact CD1-CD2 4.25Å; I53-F67 HydrophobicContact CD1-CE2 3.73Å; I53-F67 HydrophobicContact CD1-CZ 4.23Å; I61-F67 HydrophobicContact CD1-CD2 3.87Å; I61-F67 HydrophobicContact CG2-CB 3.71Å; I61-F67 HydrophobicContact CG2-CD2 4.29Å; N63-F67 PolarHBondContact O-N 3.16Å; G64-F67 PolarHBondContact O-N 3.45Å; R65-F67 PolarHBondContact O-N 2.95Å; F67-L69 VanDerWaalsContact C-N 3.35Å; F67-A70 WeakPolarHBondContact O-CB 3.17Å; F67-A70 PolarHBondContact O-N 3.2Å; F67-L71 HydrophobicContact CD1-CD1 4.18Å; F67-L71 HydrophobicContact CD1-CG 4.39Å; F67-L71 HydrophobicContact CE1-CD1 3.42Å; F67-L71 VanDerWaalsContact CE1-CD1 3.42Å; F67-L71 HydrophobicContact CE1-CD2 4.42Å; F67-L71 HydrophobicContact CE1-CG 3.76Å; F67-L71 HydrophobicContact CZ-CD1 4.06Å; F67-L71 HydrophobicContact CZ-CD2 4.28Å; F67-L71 HydrophobicContact CZ-CG 4.09Å; F67-L71 PolarHBondContact O-N 3.22Å; F67-L88 HydrophobicContact CD1-CD1 4.49Å; F67-L88 HydrophobicContact CE1-CD1 3.37Å; F67-L88 HydrophobicContact CZ-CD1 3.73Å
68	L	95.2	Very high	91.9	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-37.2	178	-68.5	172	0	0	0	112	F30 V33 G64 R65 A70 L71 E72 V85	F30-L68 HydrophobicContact CB-CB 4.2Å; F30-L68 HydrophobicContact CB-CD1 4.13Å; F30-L68 HydrophobicContact CD1-CB 3.82Å; F30-L68 HydrophobicContact CD1-CD1 3.91Å; F30-L68 HydrophobicContact CD1-CG 4.36Å; F30-L68 HydrophobicContact CD2-CB 4.02Å; F30-L68 HydrophobicContact CE1-CB 4.13Å; F30-L68 HydrophobicContact CE2-CB 4.33Å; F30-L68 HydrophobicContact CG-CB 3.76Å; F30-L68 HydrophobicContact CG-CD1 4.21Å; F30-L68 HydrophobicContact CZ-CB 4.38Å; V33-L68 HydrophobicContact CB-CD1 4.13Å; V33-L68 HydrophobicContact CG1-CD1 4.1Å; G64-L68 WeakPolarHBondContact O-CG 3.4Å; G64-L68 PolarHBondContact O-N 2.83Å; R65-L68 PolarHBondContact O-N 3.18Å; R65-L68 VanDerWaalsContact O-N 3.16Å; L68-A70 VanDerWaalsContact C-N 3.34Å; L68-L71 HydrophobicContact CD2-CD1 4.46Å; L68-L71 WeakPolarHBondContact O-CB 3.4Å; L68-L71 PolarHBondContact O-N 3.13Å; L68-E72 PolarHBondContact O-N 3.26Å; L68-V85 HydrophobicContact CD2-CG1 3.94Å; L68-V85 HydrophobicContact CD2-CG2 4.11Å
69	L	94.4	Very high	92.1	Very high	30 Å²	30	58.3 Å²	58.3	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-38.3	172.3	-71.4	170.5	0	0	0	112.1	H27 F30 R65 D66 F67 L71 E72 R73	H27-L69 VanDerWaalsContact ND1-CD2 3.3Å; H27-L69 WeakPolarHBondContact ND1-CD2 3.36Å; F30-L69 HydrophobicContact CD2-CD2 3.85Å; F30-L69 HydrophobicContact CD2-CG 4.22Å; F30-L69 HydrophobicContact CE2-CD2 4.2Å; R65-L69 HydrophobicContact CG-CD1 4.18Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; R65-L69 PolarHBondContact O-N 3.13Å; D66-L69 PolarHBondContact O-N 2.92Å; F67-L69 VanDerWaalsContact C-N 3.35Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-E72 PolarHBondContact O-N 3.17Å; L69-R73 WeakPolarHBondContact O-CG 3.22Å; L69-R73 PolarHBondContact O-N 3.13Å
70	A	93.1	Very high	92.3	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-41.5	173.8	0	0	0	0	0	111	I53 I61 D66 F67 L68 E72 R73 Q74	I53-A70 HydrophobicContact CD1-CB 4.11Å; I53-A70 HydrophobicContact CG2-CB 4.38Å; I61-A70 HydrophobicContact CD1-CB 4.07Å; I61-A70 HydrophobicContact CG1-CB 4.42Å; D66-A70 PolarHBondContact O-N 3.46Å; F67-A70 WeakPolarHBondContact O-CB 3.17Å; F67-A70 PolarHBondContact O-N 3.2Å; L68-A70 VanDerWaalsContact C-N 3.34Å; A70-E72 VanDerWaalsContact C-N 3.33Å; A70-E72 PolarHBondContact O-N 2.85Å; A70-R73 PolarHBondContact O-N 3.24Å; A70-Q74 VanDerWaalsContact O-CG 3.28Å; A70-Q74 WeakPolarHBondContact O-CG 3.48Å; A70-Q74 PolarHBondContact O-N 3.18Å; A70-Q74 VanDerWaalsContact O-N 3.13Å
71	L	92.9	Very high	92.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-38.5	175	-75.5	-176.9	0	0	0	113.5	F49 I53 F67 L68 L69 Q74 G75 R76 L88	F49-L71 HydrophobicContact CD1-CD2 3.64Å; F49-L71 HydrophobicContact CE1-CD2 3.71Å; F49-L71 HydrophobicContact CG-CD2 4.4Å; I53-L71 HydrophobicContact CD1-CD2 4.29Å; F67-L71 HydrophobicContact CD1-CD1 4.18Å; F67-L71 HydrophobicContact CD1-CG 4.39Å; F67-L71 HydrophobicContact CE1-CD1 3.42Å; F67-L71 VanDerWaalsContact CE1-CD1 3.42Å; F67-L71 HydrophobicContact CE1-CD2 4.42Å; F67-L71 HydrophobicContact CE1-CG 3.76Å; F67-L71 HydrophobicContact CZ-CD1 4.06Å; F67-L71 HydrophobicContact CZ-CD2 4.28Å; F67-L71 HydrophobicContact CZ-CG 4.09Å; F67-L71 PolarHBondContact O-N 3.22Å; L68-L71 HydrophobicContact CD2-CD1 4.46Å; L68-L71 WeakPolarHBondContact O-CB 3.4Å; L68-L71 PolarHBondContact O-N 3.13Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L71-Q74 PolarHBondContact O-N 3.19Å; L71-G75 PolarHBondContact O-N 3.14Å; L71-R76 HydrophobicContact CB-CB 4.43Å; L71-R76 HydrophobicContact CD2-CB 4.21Å; L71-R76 HydrophobicContact CD2-CG 4.39Å; L71-R76 WeakPolarHBondContact O-CB 3.43Å; L71-R76 PolarHBondContact O-N 2.92Å; L71-L88 HydrophobicContact CD1-CD1 4.14Å
72	E	93.9	Very high	92.5	Very high	56 Å²	56	59.6 Å²	59.6	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-46.7	175.6	179.5	-171.1	-159.5	0	0	111.4	L26 H27 F30 L68 L69 A70 Q74 G75 C77	L26-E72 HydrophobicContact CD2-CG 4.35Å; L26-E72 WeakPolarHBondContact CD2-OE1 3.3Å; H27-E72 IonicContact CE1-OE1 2.58Å; H27-E72 IonicContact CE1-OE2 3.24Å; H27-E72 PolarHBondContact CE1-OE2 3.33Å; H27-E72 IonicContact ND1-OE2 3.26Å; F30-E72 HydrophobicContact CE2-CB 3.99Å; F30-E72 HydrophobicContact CE2-CG 4.47Å; F30-E72 WeakPolarHBondContact CE2-OE2 3.46Å; F30-E72 HydrophobicContact CZ-CB 4.21Å; L68-E72 PolarHBondContact O-N 3.26Å; L69-E72 PolarHBondContact O-N 3.17Å; A70-E72 VanDerWaalsContact C-N 3.33Å; A70-E72 PolarHBondContact O-N 2.85Å; E72-Q74 PolarHBondContact O-N 3.21Å; E72-G75 WeakPolarHBondContact O-CA 3.36Å; E72-G75 PolarHBondContact O-N 3.09Å; E72-C77 WeakPolarHBondContact CA-O 3.18Å
73	R	92.1	Very high	92.5	Very high	166 Å²	166	59.8 Å²	59.8	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-59.9	-33.4	177.1	-71.1	174.8	-173.6	169.9	3.6	113	E57 L69 A70 G75	E57-R73 WeakPolarHBondContact OE1-CD 3.4Å; E57-R73 IonicContact OE1-NH1 3.21Å; E57-R73 PolarHBondContact OE1-NH1 3.34Å; L69-R73 WeakPolarHBondContact O-CG 3.22Å; L69-R73 PolarHBondContact O-N 3.13Å; A70-R73 PolarHBondContact O-N 3.24Å; R73-G75 PolarHBondContact O-N 3.09Å
74	Q	90.3	Very high	92.3	Very high	65 Å²	65	59 Å²	59	30%	0.304	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	6.4	175.2	-60.1	-60.2	-24.7	0	0	112.9	I53 E57 A70 L71 E72 R76	I53-Q74 HydrophobicContact CG1-CG 4.43Å; E57-Q74 PolarHBondContact OE2-NE2 3.19Å; A70-Q74 VanDerWaalsContact O-CG 3.28Å; A70-Q74 WeakPolarHBondContact O-CG 3.48Å; A70-Q74 PolarHBondContact O-N 3.18Å; A70-Q74 VanDerWaalsContact O-N 3.13Å; L71-Q74 PolarHBondContact O-N 3.19Å; E72-Q74 PolarHBondContact O-N 3.21Å; Q74-R76 HydrophobicContact CB-CG 4.08Å; Q74-R76 PolarHBondContact O-N 3.36Å
75	G	89.4	Confident	92.3	Very high	63 Å²	63	59 Å²	59	65%	0.649	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	20.5	177.6	0	0	0	0	0	114.1	L71 E72 R73	L71-G75 PolarHBondContact O-N 3.14Å; E72-G75 WeakPolarHBondContact O-CA 3.36Å; E72-G75 PolarHBondContact O-N 3.09Å; R73-G75 PolarHBondContact O-N 3.09Å
76	R	88.2	Confident	92.2	Very high	83 Å²	83	56.9 Å²	56.9	31%	0.313	28%	0.284	S	S	.	.	S	Bend	trans	-88.6	-17.2	-176.3	-59.3	-59.8	-64.4	-99	-2.7	113.1	V52 L71 Q74 Q84	V52-R76 HydrophobicContact CG1-CG 4.01Å; V52-R76 VanDerWaalsContact CG1-NH1 3.26Å; L71-R76 HydrophobicContact CB-CB 4.43Å; L71-R76 HydrophobicContact CD2-CB 4.21Å; L71-R76 HydrophobicContact CD2-CG 4.39Å; L71-R76 WeakPolarHBondContact O-CB 3.43Å; L71-R76 PolarHBondContact O-N 2.92Å; Q74-R76 HydrophobicContact CB-CG 4.08Å; Q74-R76 PolarHBondContact O-N 3.36Å; R76-Q84 HydrophobicContact CB-CG 4.26Å; R76-Q84 VanDerWaalsContact NH2-CD 3.31Å; R76-Q84 VanDerWaalsContact O-CB 3.25Å; R76-Q84 WeakPolarHBondContact O-CB 3.05Å
77	C	91.8	Very high	92.1	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.014	30%	0.296	C	S	.	.			trans	-150.6	144.7	172.3	58.3	0	0	0	0	110.7	E72 N81 V85	E72-C77 WeakPolarHBondContact CA-O 3.18Å; C77-N81 WeakPolarHBondContact CA-O 3.47Å; C77-V85 HydrophobicContact CB-CG2 3.74Å
78	D	91.4	Very high	92	Very high	69 Å²	69	60 Å²	60	37%	0.369	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-145.8	-176	173.8	60.2	38	0	0	0	108.8	S80 N81 F82	D78-S80 PolarHBondContact O-N 3.5Å; D78-S80 WeakPolarHBondContact OD1-CA 3.43Å; D78-S80 WeakPolarHBondContact OD1-CB 3.33Å; D78-S80 PolarHBondContact OD1-N 2.84Å; D78-S80 PolarHBondContact OD1-OG 3.37Å; D78-N81 PolarHBondContact N-O 3.22Å; D78-N81 CarbonylContact O-C 3.56Å; D78-N81 PolarHBondContact O-N 3.43Å; D78-N81 WeakPolarHBondContact OD1-CB 3.41Å; D78-N81 PolarHBondContact OD1-N 3.39Å; D78-F82 WeakPolarHBondContact O-CE1 3.28Å
79	E	91.1	Very high	92.1	Very high	110 Å²	110	60 Å²	60	51%	0.514	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.2	178.9	-72.4	178.6	175.3	0	0	114.5	L26 F82 L103	L26-E79 HydrophobicContact CB-CG 3.77Å; L26-E79 HydrophobicContact CD2-CG 4.13Å; L26-E79 HydrophobicContact CG-CG 4.36Å; E79-F82 WeakPolarHBondContact O-CZ 3.4Å; E79-L103 HydrophobicContact CB-CD1 3.96Å; E79-L103 HydrophobicContact CG-CD1 4.06Å
80	S	88.5	Confident	92.1	Very high	106 Å²	106	65.5 Å²	65.5	74%	0.741	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-18.4	-179.1	77.4	0	0	0	0	113	D78	D78-S80 PolarHBondContact O-N 3.5Å; D78-S80 WeakPolarHBondContact OD1-CA 3.43Å; D78-S80 WeakPolarHBondContact OD1-CB 3.33Å; D78-S80 PolarHBondContact OD1-N 2.84Å; D78-S80 PolarHBondContact OD1-OG 3.37Å
81	N	89.8	Confident	92.1	Very high	63 Å²	63	70 Å²	70	34%	0.337	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-138.4	97.4	-168.9	-174.6	7.8	0	0	0	113.5	C77 D78 R83	C77-N81 WeakPolarHBondContact CA-O 3.47Å; D78-N81 PolarHBondContact N-O 3.22Å; D78-N81 CarbonylContact O-C 3.56Å; D78-N81 PolarHBondContact O-N 3.43Å; D78-N81 WeakPolarHBondContact OD1-CB 3.41Å; D78-N81 PolarHBondContact OD1-N 3.39Å; N81-R83 WeakPolarHBondContact OD1-CB 3.42Å; N81-R83 WeakPolarHBondContact OD1-CG 3.38Å; N81-R83 PolarHBondContact OD1-N 3.22Å; N81-R83 VanDerWaalsContact OD1-N 3.13Å
82	F	93.7	Very high	92.2	Very high	37 Å²	37	70.6 Å²	70.6	16%	0.162	34%	0.341	C	S	.	.			trans	-95.8	5.9	174.6	-52.3	-48.4	0	0	0	114.7	L26 M29 D78 E79 Q84 V85 L86 V101 L103	L26-F82 HydrophobicContact CD1-CD1 4.48Å; L26-F82 HydrophobicContact CD1-CE1 3.64Å; L26-F82 HydrophobicContact CD1-CZ 4.49Å; M29-F82 HydrophobicContact CE-CD1 4.11Å; M29-F82 HydrophobicContact CE-CE1 4.08Å; M29-F82 HydrophobicContact SD-CD1 4.28Å; M29-F82 HydrophobicContact SD-CE1 4.1Å; M29-F82 HydrophobicContact SD-CZ 4.42Å; D78-F82 WeakPolarHBondContact O-CE1 3.28Å; E79-F82 WeakPolarHBondContact O-CZ 3.4Å; F82-Q84 VanDerWaalsContact C-N 3.31Å; F82-Q84 PolarHBondContact O-N 3.47Å; F82-V85 PolarHBondContact O-N 2.93Å; F82-L86 HydrophobicContact CB-CD1 4.27Å; F82-L86 HydrophobicContact CB-CG 4.4Å; F82-L86 WeakPolarHBondContact O-CG 3.34Å; F82-L86 PolarHBondContact O-N 2.92Å; F82-V101 HydrophobicContact CB-CG1 3.66Å; F82-V101 HydrophobicContact CD1-CG1 4.34Å; F82-V101 HydrophobicContact CG-CG1 3.92Å; F82-L103 HydrophobicContact CE1-CD2 4.47Å; F82-L103 HydrophobicContact CE2-CG 4.29Å; F82-L103 HydrophobicContact CZ-CD1 4.07Å; F82-L103 HydrophobicContact CZ-CD2 3.93Å; F82-L103 HydrophobicContact CZ-CG 3.67Å
83	R	92.1	Very high	92.2	Very high	201 Å²	201	73 Å²	73	76%	0.758	36%	0.36	S	S	*	.	H	α-helix	trans	-57.5	-43.8	-170.8	-70.4	-174.1	-174.5	-155.8	3.2	112.4	N81 L86 Q87	N81-R83 WeakPolarHBondContact OD1-CB 3.42Å; N81-R83 WeakPolarHBondContact OD1-CG 3.38Å; N81-R83 PolarHBondContact OD1-N 3.22Å; N81-R83 VanDerWaalsContact OD1-N 3.13Å; R83-L86 PolarHBondContact O-N 3.22Å; R83-Q87 WeakPolarHBondContact O-CB 3.49Å; R83-Q87 PolarHBondContact O-N 3.03Å
84	Q	90.9	Very high	92.4	Very high	45 Å²	45	67.9 Å²	67.9	21%	0.21	34%	0.34	C	S	.	.	H	α-helix	trans	-66.6	-41	-178.4	-165.3	69.1	48.7	0	0	111.8	F49 R76 F82 Q87 L88	F49-Q84 HydrophobicContact CE1-CG 4.29Å; F49-Q84 HydrophobicContact CZ-CG 4.35Å; R76-Q84 HydrophobicContact CB-CG 4.26Å; R76-Q84 VanDerWaalsContact NH2-CD 3.31Å; R76-Q84 VanDerWaalsContact O-CB 3.25Å; R76-Q84 WeakPolarHBondContact O-CB 3.05Å; F82-Q84 VanDerWaalsContact C-N 3.31Å; F82-Q84 PolarHBondContact O-N 3.47Å; Q84-Q87 PolarHBondContact O-N 3.46Å; Q84-L88 WeakPolarHBondContact O-CB 3.45Å; Q84-L88 PolarHBondContact O-N 2.82Å
85	V	93.5	Very high	92.4	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-46.1	177.3	-179.6	0	0	0	0	110.5	L68 C77 F82 Q87 L88 L89 V101	L68-V85 HydrophobicContact CD2-CG1 3.94Å; L68-V85 HydrophobicContact CD2-CG2 4.11Å; C77-V85 HydrophobicContact CB-CG2 3.74Å; F82-V85 PolarHBondContact O-N 2.93Å; V85-Q87 PolarHBondContact O-N 3.17Å; V85-L88 WeakPolarHBondContact O-CB 3.12Å; V85-L88 PolarHBondContact O-N 3.37Å; V85-L89 HydrophobicContact CG1-CD1 4.39Å; V85-L89 WeakPolarHBondContact O-CG 3.37Å; V85-L89 PolarHBondContact O-N 3.1Å; V85-V101 HydrophobicContact CB-CG1 4.27Å; V85-V101 HydrophobicContact CG1-CG1 3.95Å; V85-V101 HydrophobicContact CG1-CG2 4.1Å
86	L	94.6	Very high	92.6	Very high	48 Å²	48	70.5 Å²	70.5	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-42.9	176.8	-71	169.4	0	0	0	112.1	F82 R83 L89 R90 L98 V101	F82-L86 HydrophobicContact CB-CD1 4.27Å; F82-L86 HydrophobicContact CB-CG 4.4Å; F82-L86 WeakPolarHBondContact O-CG 3.34Å; F82-L86 PolarHBondContact O-N 2.92Å; R83-L86 PolarHBondContact O-N 3.22Å; L86-L89 PolarHBondContact O-N 3.12Å; L86-R90 VanDerWaalsContact O-CG 3.32Å; L86-R90 WeakPolarHBondContact O-CG 3.17Å; L86-R90 PolarHBondContact O-N 3.05Å; L86-R90 VanDerWaalsContact O-N 3.15Å; L86-L98 HydrophobicContact CB-CD2 4.46Å; L86-L98 HydrophobicContact CD2-CB 4.43Å; L86-L98 HydrophobicContact CD2-CD2 3.71Å; L86-V101 HydrophobicContact CD2-CB 3.78Å; L86-V101 HydrophobicContact CD2-CG1 4.11Å; L86-V101 HydrophobicContact CD2-CG2 4.05Å; L86-V101 HydrophobicContact CG-CB 4.39Å; L86-V101 HydrophobicContact CG-CG1 4.17Å
87	Q	92.9	Very high	92.9	Very high	108 Å²	108	66.7 Å²	66.7	51%	0.505	32%	0.323	S	S	.	.	H	α-helix	trans	-66.6	-41.1	178.5	-176.6	145.1	-14.7	0	0	111.8	R83 Q84 V85 R90 I91	R83-Q87 WeakPolarHBondContact O-CB 3.49Å; R83-Q87 PolarHBondContact O-N 3.03Å; Q84-Q87 PolarHBondContact O-N 3.46Å; V85-Q87 PolarHBondContact O-N 3.17Å; Q87-R90 WeakPolarHBondContact O-CB 3.48Å; Q87-R90 PolarHBondContact O-N 2.7Å; Q87-I91 HydrophobicContact CG-CD1 4.1Å; Q87-I91 WeakPolarHBondContact O-CG1 3.32Å; Q87-I91 PolarHBondContact O-N 3.5Å
88	L	93.1	Very high	92.9	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-49.2	174.8	172.5	143.6	0	0	0	111.6	L45 F49 F67 L71 Q84 V85 R90 I91 I92	L45-L88 HydrophobicContact CB-CD1 4.48Å; L45-L88 HydrophobicContact CD1-CD1 4.06Å; L45-L88 HydrophobicContact CD1-CD2 3.58Å; L45-L88 HydrophobicContact CD1-CG 4.16Å; L45-L88 HydrophobicContact CD2-CD1 3.44Å; L45-L88 VanDerWaalsContact CD2-CD1 3.44Å; L45-L88 HydrophobicContact CD2-CD2 3.62Å; L45-L88 HydrophobicContact CD2-CG 3.3Å; L45-L88 HydrophobicContact CG-CD1 4.15Å; L45-L88 HydrophobicContact CG-CD2 4.18Å; L45-L88 HydrophobicContact CG-CG 4.27Å; F49-L88 HydrophobicContact CD2-CD1 4.28Å; F49-L88 HydrophobicContact CE2-CD1 3.6Å; F49-L88 HydrophobicContact CZ-CD1 3.97Å; F67-L88 HydrophobicContact CD1-CD1 4.49Å; F67-L88 HydrophobicContact CE1-CD1 3.37Å; F67-L88 HydrophobicContact CZ-CD1 3.73Å; L71-L88 HydrophobicContact CD1-CD1 4.14Å; Q84-L88 WeakPolarHBondContact O-CB 3.45Å; Q84-L88 PolarHBondContact O-N 2.82Å; V85-L88 WeakPolarHBondContact O-CB 3.12Å; V85-L88 PolarHBondContact O-N 3.37Å; L88-R90 PolarHBondContact O-N 3.19Å; L88-I91 PolarHBondContact O-N 3Å; L88-I92 HydrophobicContact CD2-CD1 4.45Å; L88-I92 WeakPolarHBondContact O-CG1 3.22Å; L88-I92 PolarHBondContact O-N 3.06Å
89	L	95.6	Very high	92.8	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-33.6	179.4	-70.5	176.1	0	0	0	112	V33 L37 V85 L86 I92 T93 R94 L97 L98 V101	V33-L89 HydrophobicContact CG1-CD1 4.22Å; V33-L89 HydrophobicContact CG1-CD2 4.36Å; L37-L89 HydrophobicContact CD2-CD2 3.87Å; V85-L89 HydrophobicContact CG1-CD1 4.39Å; V85-L89 WeakPolarHBondContact O-CG 3.37Å; V85-L89 PolarHBondContact O-N 3.1Å; L86-L89 PolarHBondContact O-N 3.12Å; L89-I92 HydrophobicContact CD2-CD1 4.24Å; L89-T93 PolarHBondContact O-N 3Å; L89-R94 HydrophobicContact CD2-CB 4.07Å; L89-R94 PolarHBondContact O-N 3.44Å; L89-L97 HydrophobicContact CD1-CB 3.9Å; L89-L97 HydrophobicContact CD2-CB 4.13Å; L89-L97 HydrophobicContact CD2-CD1 4.07Å; L89-L98 HydrophobicContact CB-CD2 3.71Å; L89-L98 HydrophobicContact CD1-CD2 4.1Å; L89-V101 HydrophobicContact CD1-CG2 3.45Å; L89-V101 VanDerWaalsContact CD1-CG2 3.45Å
90	R	94.8	Very high	92.8	Very high	147 Å²	147	67.6 Å²	67.6	56%	0.555	33%	0.327	S	S	*	.	H	α-helix	trans	-66.3	-43.2	172.6	-69.6	168.7	-178.9	178.6	-0.9	112.1	L86 Q87 L88 I92 T93 L98	L86-R90 VanDerWaalsContact O-CG 3.32Å; L86-R90 WeakPolarHBondContact O-CG 3.17Å; L86-R90 PolarHBondContact O-N 3.05Å; L86-R90 VanDerWaalsContact O-N 3.15Å; Q87-R90 WeakPolarHBondContact O-CB 3.48Å; Q87-R90 PolarHBondContact O-N 2.7Å; L88-R90 PolarHBondContact O-N 3.19Å; R90-I92 PolarHBondContact O-N 3.34Å; R90-T93 PolarHBondContact O-N 3.45Å; R90-T93 VanDerWaalsContact O-N 3.1Å; R90-L98 HydrophobicContact CG-CD1 4.28Å; R90-L98 HydrophobicContact CG-CD2 4.31Å
91	I	93.9	Very high	93	Very high	98 Å²	98	63.1 Å²	63.1	50%	0.503	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-41.6	-179.9	-68.7	165	0	0	0	110.9	L48 Q87 L88 T93	L48-I91 HydrophobicContact CD1-CG2 3.69Å; Q87-I91 HydrophobicContact CG-CD1 4.1Å; Q87-I91 WeakPolarHBondContact O-CG1 3.32Å; Q87-I91 PolarHBondContact O-N 3.5Å; L88-I91 PolarHBondContact O-N 3Å; I91-T93 PolarHBondContact O-N 3.15Å
92	I	94.4	Very high	93	Very high	13 Å²	13	62 Å²	62	7%	0.067	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	10.7	175.7	63.6	164.6	0	0	0	113.7	L37 D41 V44 L45 L88 L89 R90 R94	L37-I92 HydrophobicContact CD2-CD1 3.64Å; D41-I92 HydrophobicContact CB-CD1 3.87Å; V44-I92 HydrophobicContact CG1-CG2 3.96Å; L45-I92 HydrophobicContact CD1-CD1 4.13Å; L45-I92 HydrophobicContact CD2-CB 4.46Å; L45-I92 HydrophobicContact CD2-CD1 4.2Å; L45-I92 HydrophobicContact CD2-CG1 4.44Å; L45-I92 HydrophobicContact CD2-CG2 3.31Å; L45-I92 HydrophobicContact CG-CD1 4.33Å; L45-I92 HydrophobicContact CG-CG2 4.08Å; L88-I92 HydrophobicContact CD2-CD1 4.45Å; L88-I92 WeakPolarHBondContact O-CG1 3.22Å; L88-I92 PolarHBondContact O-N 3.06Å; L89-I92 HydrophobicContact CD2-CD1 4.24Å; R90-I92 PolarHBondContact O-N 3.34Å; I92-R94 HydrophobicContact CD1-CB 4.09Å; I92-R94 HydrophobicContact CD1-CG 3.59Å; I92-R94 HydrophobicContact CG1-CB 4.1Å; I92-R94 HydrophobicContact CG1-CG 3.87Å; I92-R94 PolarHBondContact O-N 3.38Å; I92-R94 VanDerWaalsContact O-N 3.12Å
93	T	95	Very high	92.8	Very high	107 Å²	107	61.6 Å²	61.6	66%	0.656	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	19.5	177.6	67.6	0	0	0	0	115.5	L89 R90 I91 H95	L89-T93 PolarHBondContact O-N 3Å; R90-T93 PolarHBondContact O-N 3.45Å; R90-T93 VanDerWaalsContact O-N 3.1Å; I91-T93 PolarHBondContact O-N 3.15Å; T93-H95 PolarHBondContact O-CD2 3.43Å; T93-H95 PolarHBondContact O-N 3.06Å
94	R	94.8	Very high	92.4	Very high	57 Å²	57	59.2 Å²	59.2	22%	0.215	29%	0.286	C	S	.	.			trans	-85.9	59	175.2	-66.6	-68.7	-71.8	139.5	5.5	111.1	H36 L37 D41 L89 I92 D96 L97	H36-R94 PolarHBondContact O-NH2 3.28Å; L37-R94 HydrophobicContact CD2-CG 4.35Å; D41-R94 IonicContact OD2-NE 3.36Å; L89-R94 HydrophobicContact CD2-CB 4.07Å; L89-R94 PolarHBondContact O-N 3.44Å; I92-R94 HydrophobicContact CD1-CB 4.09Å; I92-R94 HydrophobicContact CD1-CG 3.59Å; I92-R94 HydrophobicContact CG1-CB 4.1Å; I92-R94 HydrophobicContact CG1-CG 3.87Å; I92-R94 PolarHBondContact O-N 3.38Å; I92-R94 VanDerWaalsContact O-N 3.12Å; R94-D96 VanDerWaalsContact C-OD1 3.31Å; R94-D96 WeakPolarHBondContact CA-OD1 3.38Å; R94-D96 IonicContact CZ-OD1 3.69Å; R94-D96 VanDerWaalsContact CZ-OD1 3.26Å; R94-D96 IonicContact CZ-OD2 3.38Å; R94-D96 IonicContact NE-OD1 4Å; R94-D96 IonicContact NH1-OD1 3.57Å; R94-D96 PolarHBondContact NH1-OD1 3.12Å; R94-D96 IonicContact NH1-OD2 3.6Å; R94-D96 PolarHBondContact NH1-OD2 3.2Å; R94-D96 IonicContact NH2-OD1 2.9Å; R94-D96 IonicContact NH2-OD2 2.79Å; R94-D96 PolarHBondContact NH2-OD2 2.62Å; R94-D96 PolarHBondContact O-N 3.15Å; R94-L97 HydrophobicContact CB-CD1 4.13Å; R94-L97 HydrophobicContact CB-CG 4.3Å; R94-L97 PolarHBondContact O-N 3.25Å
95	H	91.8	Very high	91.6	Very high	105 Å²	105	63.3 Å²	63.3	49%	0.486	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-63.8	-26.9	-179.2	-66.4	-81.1	0	0	0	113.1	T93 L97 L98	T93-H95 PolarHBondContact O-CD2 3.43Å; T93-H95 PolarHBondContact O-N 3.06Å; H95-L97 PolarHBondContact O-N 2.98Å; H95-L98 HydrophobicContact CB-CD1 4.28Å; H95-L98 WeakPolarHBondContact O-CB 3.41Å; H95-L98 WeakPolarHBondContact O-CG 3.33Å; H95-L98 PolarHBondContact O-N 2.76Å
96	D	93.1	Very high	90.2	Very high	79 Å²	79	70.7 Å²	70.7	42%	0.422	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.9	176.1	62.4	-53.6	0	0	0	113.2	R94 P99 Y100	R94-D96 VanDerWaalsContact C-OD1 3.31Å; R94-D96 WeakPolarHBondContact CA-OD1 3.38Å; R94-D96 IonicContact CZ-OD1 3.69Å; R94-D96 VanDerWaalsContact CZ-OD1 3.26Å; R94-D96 IonicContact CZ-OD2 3.38Å; R94-D96 IonicContact NE-OD1 4Å; R94-D96 IonicContact NH1-OD1 3.57Å; R94-D96 PolarHBondContact NH1-OD1 3.12Å; R94-D96 IonicContact NH1-OD2 3.6Å; R94-D96 PolarHBondContact NH1-OD2 3.2Å; R94-D96 IonicContact NH2-OD1 2.9Å; R94-D96 IonicContact NH2-OD2 2.79Å; R94-D96 PolarHBondContact NH2-OD2 2.62Å; R94-D96 PolarHBondContact O-N 3.15Å; D96-P99 VanDerWaalsContact O-CD 3.26Å; D96-P99 WeakPolarHBondContact O-CD 3.42Å; D96-Y100 WeakPolarHBondContact O-CD2 3.36Å; D96-Y100 WeakPolarHBondContact O-CE2 3.32Å
97	L	94.2	Very high	88.5	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.01	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-89.5	-17.7	179.7	-60.4	-174.7	0	0	0	114	V33 H36 L37 L89 R94 H95 P99 Y100	V33-L97 HydrophobicContact CG1-CD1 4.34Å; H36-L97 HydrophobicContact CB-CD1 4.03Å; H36-L97 HydrophobicContact CB-CD2 3.45Å; H36-L97 VanDerWaalsContact CB-CD2 3.45Å; H36-L97 HydrophobicContact CB-CG 4.38Å; L37-L97 HydrophobicContact CD2-CD1 3.78Å; L37-L97 HydrophobicContact CG-CD1 4.21Å; L89-L97 HydrophobicContact CD1-CB 3.9Å; L89-L97 HydrophobicContact CD2-CB 4.13Å; L89-L97 HydrophobicContact CD2-CD1 4.07Å; R94-L97 HydrophobicContact CB-CD1 4.13Å; R94-L97 HydrophobicContact CB-CG 4.3Å; R94-L97 PolarHBondContact O-N 3.25Å; H95-L97 PolarHBondContact O-N 2.98Å; L97-P99 VanDerWaalsContact C-N 3.33Å; L97-Y100 WeakPolarHBondContact O-CB 3.39Å; L97-Y100 PolarHBondContact O-N 3.41Å
98	L	92.8	Very high	86.6	Confident	41 Å²	41	76.3 Å²	76.3	22%	0.215	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-52.9	-41.2	178.5	-59.8	174.9	0	0	0	113.8	L86 L89 R90 H95 Y100 V101	L86-L98 HydrophobicContact CB-CD2 4.46Å; L86-L98 HydrophobicContact CD2-CB 4.43Å; L86-L98 HydrophobicContact CD2-CD2 3.71Å; L89-L98 HydrophobicContact CB-CD2 3.71Å; L89-L98 HydrophobicContact CD1-CD2 4.1Å; R90-L98 HydrophobicContact CG-CD1 4.28Å; R90-L98 HydrophobicContact CG-CD2 4.31Å; H95-L98 HydrophobicContact CB-CD1 4.28Å; H95-L98 WeakPolarHBondContact O-CB 3.41Å; H95-L98 WeakPolarHBondContact O-CG 3.33Å; H95-L98 PolarHBondContact O-N 2.76Å; L98-Y100 PolarHBondContact O-N 2.94Å; L98-Y100 VanDerWaalsContact O-N 3.15Å; L98-V101 PolarHBondContact O-N 3.29Å
99	P	89.2	Confident	84.2	Confident	53 Å²	53	83.3 Å²	83.3	34%	0.344	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-67.2	-13.1	-179.6	-16	30.8	0	0	0	114.4	D96 L97 R106	D96-P99 VanDerWaalsContact O-CD 3.26Å; D96-P99 WeakPolarHBondContact O-CD 3.42Å; L97-P99 VanDerWaalsContact C-N 3.33Å; P99-R106 PolarHBondContact O-NE 2.93Å; P99-R106 PolarHBondContact O-NH2 3.46Å
100	Y	90.8	Very high	82	Confident	107 Å²	107	87.7 Å²	87.7	42%	0.42	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-98.8	-7.1	179.8	-59.4	-86	0	0	0	113.3	M29 I32 D96 L97 L98 T102	M29-Y100 WeakPolarHBondContact CG-O 3.34Å; I32-Y100 HydrophobicContact CG2-CD1 3.89Å; I32-Y100 HydrophobicContact CG2-CG 4.25Å; D96-Y100 WeakPolarHBondContact O-CD2 3.36Å; D96-Y100 WeakPolarHBondContact O-CE2 3.32Å; L97-Y100 WeakPolarHBondContact O-CB 3.39Å; L97-Y100 PolarHBondContact O-N 3.41Å; L98-Y100 PolarHBondContact O-N 2.94Å; L98-Y100 VanDerWaalsContact O-N 3.15Å; Y100-T102 PolarHBondContact O-N 2.83Å
101	V	92.4	Very high	80.2	Confident	11 Å²	11	85.8 Å²	85.8	7%	0.067	44%	0.435	C	S	.	.			trans	-82.7	71.3	174	-169.6	0	0	0	0	109.3	M29 V33 F82 V85 L86 L89 L98	M29-V101 HydrophobicContact CE-CG1 4.3Å; M29-V101 HydrophobicContact SD-CB 4.49Å; M29-V101 HydrophobicContact SD-CG1 3.97Å; V33-V101 HydrophobicContact CG2-CG2 4.08Å; F82-V101 HydrophobicContact CB-CG1 3.66Å; F82-V101 HydrophobicContact CD1-CG1 4.34Å; F82-V101 HydrophobicContact CG-CG1 3.92Å; V85-V101 HydrophobicContact CB-CG1 4.27Å; V85-V101 HydrophobicContact CG1-CG1 3.95Å; V85-V101 HydrophobicContact CG1-CG2 4.1Å; L86-V101 HydrophobicContact CD2-CB 3.78Å; L86-V101 HydrophobicContact CD2-CG1 4.11Å; L86-V101 HydrophobicContact CD2-CG2 4.05Å; L86-V101 HydrophobicContact CG-CB 4.39Å; L86-V101 HydrophobicContact CG-CG1 4.17Å; L89-V101 HydrophobicContact CD1-CG2 3.45Å; L89-V101 VanDerWaalsContact CD1-CG2 3.45Å; L98-V101 PolarHBondContact O-N 3.29Å
102	T	89.9	Confident	79	Confident	41 Å²	41	83.4 Å²	83.4	25%	0.252	42%	0.423	S	S	.	.	S	Bend	trans	-156.3	146.7	178	-178.6	0	0	0	0	109.6	M29 Y100 K104	M29-T102 PolarHBondContact SD-N 2.98Å; Y100-T102 PolarHBondContact O-N 2.83Å; T102-K104 PolarHBondContact OG1-N 3.04Å
103	L	89.6	Confident	77.7	Confident	27 Å²	27	87.6 Å²	87.6	14%	0.141	45%	0.446	C	S	.	.	S	Bend	trans	-77.3	-13	169	-53.7	-178.2	0	0	0	111.3	L23 Y24 L26 M29 E79 F82 R105	L23-L103 CarbonylContact C-O 3.6Å; L23-L103 WeakPolarHBondContact CA-O 3.48Å; L23-L103 HydrophobicContact CD2-CB 4.49Å; Y24-L103 PolarHBondContact N-O 3.03Å; Y24-L103 WeakPolarHBondContact O-CB 3.21Å; Y24-L103 WeakPolarHBondContact O-CD2 3.12Å; L26-L103 HydrophobicContact CB-CD2 4.46Å; L26-L103 HydrophobicContact CD1-CD2 4.3Å; M29-L103 HydrophobicContact CB-CD2 4.36Å; M29-L103 HydrophobicContact SD-CD2 4.39Å; E79-L103 HydrophobicContact CB-CD1 3.96Å; E79-L103 HydrophobicContact CG-CD1 4.06Å; F82-L103 HydrophobicContact CE1-CD2 4.47Å; F82-L103 HydrophobicContact CE2-CG 4.29Å; F82-L103 HydrophobicContact CZ-CD1 4.07Å; F82-L103 HydrophobicContact CZ-CD2 3.93Å; F82-L103 HydrophobicContact CZ-CG 3.67Å; L103-R105 PolarHBondContact O-N 3.21Å
104	K	83.9	Confident	76.4	Confident	152 Å²	152	83.8 Å²	83.8	66%	0.661	42%	0.422	S	S	*	.	B	Isolated β-bridge	trans	-73.2	123.4	179.1	-69.8	-170	174.9	-172.9	0	111.3	L23 T102 R106	L23-K104 HydrophobicContact CD2-CG 4.02Å; T102-K104 PolarHBondContact OG1-N 3.04Å; K104-R106 PolarHBondContact O-N 3.24Å
105	R	73.2	Confident	75.2	Confident	130 Å²	130	85.3 Å²	85.3	49%	0.491	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-70	121.3	172.8	-167.4	164.9	-170.6	-173.8	3.8	109.4	G22 Y24 L103 R107	G22-R105 WeakPolarHBondContact O-CB 3.37Å; G22-R105 PolarHBondContact O-N 2.82Å; Y24-R105 HydrophobicContact CD2-CB 4.49Å; Y24-R105 HydrophobicContact CE1-CB 4.45Å; Y24-R105 HydrophobicContact CE1-CG 3.92Å; Y24-R105 HydrophobicContact CE2-CB 4.17Å; Y24-R105 HydrophobicContact CE2-CG 4.11Å; L103-R105 PolarHBondContact O-N 3.21Å; R105-R107 PolarHBondContact O-N 3.15Å
106	R	64.7	Low	74	Confident	157 Å²	157	85.5 Å²	85.5	59%	0.592	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-70.7	122.5	167.4	-66.1	-177.3	180	-140.4	-10.9	107.6	P99 K104 A108	P99-R106 PolarHBondContact O-NE 2.93Å; P99-R106 PolarHBondContact O-NH2 3.46Å; K104-R106 PolarHBondContact O-N 3.24Å; R106-A108 PolarHBondContact O-N 3.33Å; R106-A108 VanDerWaalsContact O-N 3.16Å
107	R	59.1	Low	72.8	Confident	197 Å²	197	83.7 Å²	83.7	74%	0.743	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-58	120	172.7	-159.6	171.8	-177.1	169.1	2.1	106.5	R105 E302	R105-R107 PolarHBondContact O-N 3.15Å; R107-E302 IonicContact CZ-OE1 3.62Å; R107-E302 IonicContact NH1-OE1 3.33Å; R107-E302 PolarHBondContact NH1-OE1 2.77Å; R107-E302 IonicContact NH2-OE1 3.94Å
108	A	52.3	Low	71.7	Confident	77 Å²	77	88.4 Å²	88.4	64%	0.636	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-55.8	143.8	170.1	0	0	0	0	0	107.6	R106 C110	R106-A108 PolarHBondContact O-N 3.33Å; R106-A108 VanDerWaalsContact O-N 3.16Å; A108-C110 PolarHBondContact O-N 3.05Å
109	V	43	Very low	70.5	Confident	149 Å²	149	92.6 Å²	92.6	90%	0.903	46%	0.464	S	S	*	.			trans	-65	92.3	173.3	-177	0	0	0	0	106.5
110	C	48.6	Very low	69.5	Low	91 Å²	91	94.6 Å²	94.6	62%	0.615	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-72	132.6	169.8	-66.6	0	0	0	0	106.6	A108 D112	A108-C110 PolarHBondContact O-N 3.05Å; C110-D112 PolarHBondContact O-N 3.2Å
111	P	57	Low	68.1	Low	108 Å²	108	91.2 Å²	91.2	70%	0.701	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-51.3	130.4	168.3	-21.8	31.5	0	0	0	108.5	L113	P111-L113 PolarHBondContact O-N 3.3Å
112	D	68.4	Low	66.5	Low	47 Å²	47	93.4 Å²	93.4	25%	0.251	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-61.2	134.8	178.5	-168.8	-6.1	0	0	0	108.4	C110 V114 D115 K116 R305	C110-D112 PolarHBondContact O-N 3.2Å; D112-V114 PolarHBondContact O-N 3.19Å; D112-V114 PolarHBondContact OD1-N 3.2Å; D112-V114 VanDerWaalsContact OD1-N 3.14Å; D112-D115 HydrophobicContact CB-CB 4.12Å; D112-D115 WeakPolarHBondContact CB-OD2 3.39Å; D112-D115 WeakPolarHBondContact O-CB 3.44Å; D112-D115 PolarHBondContact O-N 3.37Å; D112-K116 PolarHBondContact O-N 2.82Å; D112-R305 VanDerWaalsContact CG-NH2 3.25Å; D112-R305 IonicContact OD1-CZ 2.93Å; D112-R305 IonicContact OD1-NH1 2.93Å; D112-R305 PolarHBondContact OD1-NH1 3.36Å; D112-R305 IonicContact OD1-NH2 3.37Å; D112-R305 PolarHBondContact OD1-NH2 3.38Å; D112-R305 IonicContact OD2-CZ 3.61Å; D112-R305 IonicContact OD2-NH1 3.86Å; D112-R305 IonicContact OD2-NH2 3.85Å; D112-R305 PolarHBondContact OD2-NH2 3.44Å
113	L	67.3	Low	64.9	Low	102 Å²	102	96.8 Å²	96.8	53%	0.534	49%	0.491	S	S	.	.	H	α-helix	trans	-62.6	-24.7	175.6	-63.8	177	0	0	0	111.1	P111 Y117 L309	P111-L113 PolarHBondContact O-N 3.3Å; L113-Y117 VanDerWaalsContact O-CB 3.28Å; L113-Y117 WeakPolarHBondContact O-CB 3.3Å; L113-Y117 PolarHBondContact O-N 3.38Å; L113-L309 HydrophobicContact CB-CD2 3.52Å; L113-L309 HydrophobicContact CD1-CD2 3.63Å; L113-L309 HydrophobicContact CG-CD2 4.24Å
114	V	67.8	Low	63.1	Low	27 Å²	27	104.1 Å²	104.1	16%	0.164	52%	0.517	C	S	.	.	H	α-helix	trans	-66.8	-46.3	169.8	178.9	0	0	0	0	111.1	D112 K116 Y117 L118 L253 L309	D112-V114 PolarHBondContact O-N 3.19Å; D112-V114 PolarHBondContact OD1-N 3.2Å; D112-V114 VanDerWaalsContact OD1-N 3.14Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.5Å; V114-Y117 PolarHBondContact O-N 3.28Å; V114-L118 HydrophobicContact CG1-CD1 4.04Å; V114-L118 HydrophobicContact CG1-CG 4.36Å; V114-L118 WeakPolarHBondContact O-CB 3.44Å; V114-L118 WeakPolarHBondContact O-CG 3.32Å; V114-L118 PolarHBondContact O-N 3.44Å; V114-L253 HydrophobicContact CG2-CD2 3.55Å; V114-L253 HydrophobicContact CG2-CG 4.42Å; V114-L309 HydrophobicContact CG2-CD1 4.05Å
115	D	70	Confident	61.6	Low	89 Å²	89	106.4 Å²	106.4	48%	0.476	52%	0.523	S	S	.	.	H	α-helix	trans	-60.5	-45.1	176.2	-67.9	-24.5	0	0	0	110.7	D112 Y117 L118 E119	D112-D115 HydrophobicContact CB-CB 4.12Å; D112-D115 WeakPolarHBondContact CB-OD2 3.39Å; D112-D115 WeakPolarHBondContact O-CB 3.44Å; D112-D115 PolarHBondContact O-N 3.37Å; D115-Y117 PolarHBondContact O-N 3.36Å; D115-L118 PolarHBondContact O-N 3.18Å; D115-E119 WeakPolarHBondContact O-CB 3.43Å; D115-E119 WeakPolarHBondContact O-CG 3.27Å; D115-E119 PolarHBondContact O-N 3.38Å
116	K	66.1	Low	60.2	Low	108 Å²	108	105.4 Å²	105.4	47%	0.47	53%	0.531	S	S	.	.	H	α-helix	trans	-60.4	-43.5	175.6	-170.3	-178.7	178.4	-168.9	0	112.1	D112 V114 E119 E120	D112-K116 PolarHBondContact O-N 2.82Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.5Å; K116-E119 PolarHBondContact O-N 3.15Å; K116-E120 WeakPolarHBondContact CE-OE1 3.4Å; K116-E120 IonicContact NZ-OE1 3.04Å; K116-E120 WeakPolarHBondContact O-CB 3.46Å; K116-E120 VanDerWaalsContact O-CG 3.31Å; K116-E120 WeakPolarHBondContact O-CG 3.43Å; K116-E120 PolarHBondContact O-N 2.86Å
117	Y	67.8	Low	59.1	Low	42 Å²	42	102.8 Å²	102.8	17%	0.165	53%	0.532	C	S	.	.	H	α-helix	trans	-64.4	-42	176	173.9	-95	0	0	0	111.9	L113 V114 D115 E120 T121 L312 M313 A316	L113-Y117 VanDerWaalsContact O-CB 3.28Å; L113-Y117 WeakPolarHBondContact O-CB 3.3Å; L113-Y117 PolarHBondContact O-N 3.38Å; V114-Y117 PolarHBondContact O-N 3.28Å; D115-Y117 PolarHBondContact O-N 3.36Å; Y117-E120 PolarHBondContact O-N 3.05Å; Y117-T121 WeakPolarHBondContact O-CB 3.49Å; Y117-T121 PolarHBondContact O-N 3.43Å; Y117-T121 PolarHBondContact O-OG1 2.88Å; Y117-L312 HydrophobicContact CD1-CD2 4.08Å; Y117-L312 HydrophobicContact CE1-CD2 3.82Å; Y117-L312 HydrophobicContact CE1-CG 4.18Å; Y117-M313 HydrophobicContact CD2-CG 4.37Å; Y117-A316 HydrophobicContact CE2-CB 3.97Å; Y117-A316 WeakPolarHBondContact OH-CB 3.32Å
118	L	71.6	Confident	58.2	Low	100 Å²	100	98.5 Å²	98.5	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-64.4	-42	176.6	-72.9	173.6	0	0	0	111.3	V114 D115 T121 S122	V114-L118 HydrophobicContact CG1-CD1 4.04Å; V114-L118 HydrophobicContact CG1-CG 4.36Å; V114-L118 WeakPolarHBondContact O-CB 3.44Å; V114-L118 WeakPolarHBondContact O-CG 3.32Å; V114-L118 PolarHBondContact O-N 3.44Å; D115-L118 PolarHBondContact O-N 3.18Å; L118-T121 PolarHBondContact O-N 2.9Å; L118-S122 WeakPolarHBondContact O-CB 3.32Å; L118-S122 PolarHBondContact O-N 3.3Å; L118-S122 PolarHBondContact O-OG 3.44Å
119	E	68.9	Low	58.1	Low	129 Å²	129	107.3 Å²	107.3	60%	0.603	55%	0.547	S	S	*	.	H	α-helix	trans	-59.4	-53.6	172.2	-76.2	-179.8	175.3	0	0	111	D115 K116 T121 S122 I123	D115-E119 WeakPolarHBondContact O-CB 3.43Å; D115-E119 WeakPolarHBondContact O-CG 3.27Å; D115-E119 PolarHBondContact O-N 3.38Å; K116-E119 PolarHBondContact O-N 3.15Å; E119-T121 VanDerWaalsContact C-N 3.3Å; E119-T121 PolarHBondContact O-N 2.94Å; E119-S122 PolarHBondContact O-N 2.97Å; E119-S122 PolarHBondContact O-OG 3.36Å; E119-I123 WeakPolarHBondContact O-CG1 3.48Å; E119-I123 PolarHBondContact O-N 2.76Å
120	E	66.7	Low	58.1	Low	96 Å²	96	103.7 Å²	103.7	45%	0.449	53%	0.533	S	S	.	.	H	α-helix	trans	-59.8	-37.6	179.4	-75.2	177	-177.5	0	0	113	K116 Y117	K116-E120 WeakPolarHBondContact CE-OE1 3.4Å; K116-E120 IonicContact NZ-OE1 3.04Å; K116-E120 WeakPolarHBondContact O-CB 3.46Å; K116-E120 VanDerWaalsContact O-CG 3.31Å; K116-E120 WeakPolarHBondContact O-CG 3.43Å; K116-E120 PolarHBondContact O-N 2.86Å; Y117-E120 PolarHBondContact O-N 3.05Å
121	T	61.1	Low	57.9	Low	36 Å²	36	107.7 Å²	107.7	22%	0.221	55%	0.547	C	S	.	.	H	α-helix	trans	-77.3	-36.7	179.5	-52	0	0	0	0	111.2	Y117 L118 E119 I123 R124 Y125	Y117-T121 WeakPolarHBondContact O-CB 3.49Å; Y117-T121 PolarHBondContact O-N 3.43Å; Y117-T121 PolarHBondContact O-OG1 2.88Å; L118-T121 PolarHBondContact O-N 2.9Å; E119-T121 VanDerWaalsContact C-N 3.3Å; E119-T121 PolarHBondContact O-N 2.94Å; T121-I123 VanDerWaalsContact C-N 3.26Å; T121-I123 PolarHBondContact O-N 3.29Å; T121-R124 PolarHBondContact O-N 3.31Å; T121-R124 VanDerWaalsContact O-N 3.11Å; T121-Y125 HydrophobicContact CG2-CD2 4.35Å; T121-Y125 HydrophobicContact CG2-CE2 3.87Å; T121-Y125 VanDerWaalsContact O-CD2 3.32Å; T121-Y125 WeakPolarHBondContact O-CD2 3.5Å
122	S	58.7	Low	57.1	Low	57 Å²	57	108.3 Å²	108.3	40%	0.399	55%	0.554	S	S	.	*	H	α-helix	trans	-61.9	-33.3	177.4	74.7	0	0	0	0	112.5	L118 E119 R124 Y125 V126	L118-S122 WeakPolarHBondContact O-CB 3.32Å; L118-S122 PolarHBondContact O-N 3.3Å; L118-S122 PolarHBondContact O-OG 3.44Å; E119-S122 PolarHBondContact O-N 2.97Å; E119-S122 PolarHBondContact O-OG 3.36Å; S122-R124 PolarHBondContact O-N 2.85Å; S122-Y125 PolarHBondContact O-N 2.7Å; S122-Y125 VanDerWaalsContact O-N 3.09Å; S122-V126 WeakPolarHBondContact O-CG2 3.38Å; S122-V126 PolarHBondContact O-N 2.87Å; S122-V126 VanDerWaalsContact O-N 3.1Å
123	I	56.4	Low	55.6	Low	112 Å²	112	113.6 Å²	113.6	57%	0.574	58%	0.582	S	S	*	*	H	α-helix	trans	-60.7	-29.4	176.8	-65.4	164.1	0	0	0	111.7	E119 T121 T127	E119-I123 WeakPolarHBondContact O-CG1 3.48Å; E119-I123 PolarHBondContact O-N 2.76Å; T121-I123 VanDerWaalsContact C-N 3.26Å; T121-I123 PolarHBondContact O-N 3.29Å; I123-T127 PolarHBondContact O-OG1 3.18Å; I123-T127 VanDerWaalsContact O-OG1 3.08Å
124	R	53.5	Low	54.4	Low	181 Å²	181	114.5 Å²	114.5	68%	0.683	59%	0.594	S	S	*	*	H	α-helix	trans	-77.9	-22.7	177.8	-68	-171.7	-176.7	-179.9	3.3	114	T121 S122	T121-R124 PolarHBondContact O-N 3.31Å; T121-R124 VanDerWaalsContact O-N 3.11Å; S122-R124 PolarHBondContact O-N 2.85Å
125	Y	50.8	Low	53	Low	200 Å²	200	121.5 Å²	121.5	78%	0.784	63%	0.625	S	S	*	*	H	α-helix	trans	-96	-20.4	179.3	-69.9	-80.1	0	0	0	113.1	T121 S122	T121-Y125 HydrophobicContact CG2-CD2 4.35Å; T121-Y125 HydrophobicContact CG2-CE2 3.87Å; T121-Y125 VanDerWaalsContact O-CD2 3.32Å; T121-Y125 WeakPolarHBondContact O-CD2 3.5Å; S122-Y125 PolarHBondContact O-N 2.7Å; S122-Y125 VanDerWaalsContact O-N 3.09Å
126	V	45	Very low	51.6	Low	109 Å²	109	122.5 Å²	122.5	66%	0.661	64%	0.636	S	S	*	*	H	α-helix	trans	-102.3	-5.8	-173.8	-178.2	0	0	0	0	113.2	S122 P128	S122-V126 WeakPolarHBondContact O-CG2 3.38Å; S122-V126 PolarHBondContact O-N 2.87Å; S122-V126 VanDerWaalsContact O-N 3.1Å; V126-P128 WeakPolarHBondContact O-CD 3.31Å
127	T	40.7	Very low	50.3	Low	102 Å²	102	128.8 Å²	128.8	63%	0.626	66%	0.657	S	S	*	*			trans	-60.7	111.2	173.1	0.8	0	0	0	0	109.5	I123 R129	I123-T127 PolarHBondContact O-OG1 3.18Å; I123-T127 VanDerWaalsContact O-OG1 3.08Å; T127-R129 PolarHBondContact O-N 3.31Å
128	P	41.3	Very low	49.1	Very low	106 Å²	106	132.3 Å²	132.3	69%	0.688	69%	0.685	S	S	*	*			trans	-64.4	129.9	169.3	-11.5	28.9	0	0	0	105.7	V126 A130	V126-P128 WeakPolarHBondContact O-CD 3.31Å; P128-A130 PolarHBondContact O-N 3.05Å
129	R	49.3	Very low	47.4	Very low	262 Å²	262	133.5 Å²	133.5	99%	0.989	70%	0.699	S	S	*	*			trans	-62.4	84.7	160.3	-76	-170.7	176.4	178.1	-0.5	107.4	T127	T127-R129 PolarHBondContact O-N 3.31Å
130	A	42.4	Very low	45.9	Very low	74 Å²	74	136.2 Å²	136.2	61%	0.612	71%	0.711	S	S	*	*			trans	-110.2	124.5	172.4	0	0	0	0	0	108.1	P128	P128-A130 PolarHBondContact O-N 3.05Å
131	L	45.3	Very low	44.7	Very low	175 Å²	175	137.3 Å²	137.3	92%	0.916	73%	0.727	S	S	*	*			trans	83.7	66.1	165.4	-47.3	175	0	0	0	116.4
132	S	41.1	Very low	43.6	Very low	120 Å²	120	141.3 Å²	141.3	84%	0.839	75%	0.753	S	S	*	*			trans	-107.2	113.8	139.2	50.5	0	0	0	0	107.3
133	D	35.8	Very low	42.4	Very low	159 Å²	159	148.2 Å²	148.2	85%	0.85	78%	0.776	S	S	*	*			trans	-47.3	147	178.5	-100.5	-40.2	0	0	0	113.3	E135	D133-E135 PolarHBondContact O-N 2.71Å
134	P	41.5	Very low	41.3	Very low	120 Å²	120	149.4 Å²	149.4	78%	0.779	79%	0.789	S	S	*	*			trans	-86.2	107.6	178.3	32.5	-28.6	0	0	0	111.4
135	E	38.8	Very low	40.6	Very low	175 Å²	175	146.9 Å²	146.9	82%	0.818	79%	0.793	S	S	*	*			trans	-80.4	135.8	156.8	-109.2	-83.1	122	0	0	109.1	D133	D133-E135 PolarHBondContact O-N 2.71Å
136	P	40.1	Very low	40.1	Very low	110 Å²	110	142.8 Å²	142.8	71%	0.714	79%	0.791	S	S	*	*			trans	-80.7	126.7	-168.6	30.4	-30.7	0	0	0	112.1
137	R	40.6	Very low	39.9	Very low	240 Å²	240	142.1 Å²	142.1	91%	0.906	79%	0.789	S	S	*	*			trans	-120.6	150.2	165.6	-89	-172.4	-177.2	-178.5	2.4	112.2
138	P	40.8	Very low	39.5	Very low	115 Å²	115	144.9 Å²	144.9	75%	0.747	79%	0.794	S	S	*	*			trans	-80.4	167.5	-165.6	-3.5	22.9	0	0	0	113.4
139	P	37.8	Very low	39	Very low	125 Å²	125	147.7 Å²	147.7	81%	0.812	79%	0.792	S	S	*	*			trans	-83.5	143.5	-157.6	33.1	-34	0	0	0	113.6
140	Q	37.4	Very low	38.6	Very low	187 Å²	187	141.3 Å²	141.3	87%	0.874	79%	0.785	S	S	*	*			trans	-133	148.5	161.9	-71	-159.5	-7.2	0	0	111.3
141	P	39.5	Very low	38.2	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	79%	0.792	S	S	*	*			trans	-89.9	169.4	-155.4	36.9	-36.3	0	0	0	115
142	P	38.8	Very low	37.7	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	79%	0.786	S	S	*	*			trans	-93.6	150.3	-149.6	36.4	-33.3	0	0	0	113.9
143	K	34.5	Very low	37.1	Very low	202 Å²	202	141.6 Å²	141.6	88%	0.878	78%	0.784	S	S	*	*			trans	-137.1	103.6	163.2	-69.8	-170.9	179.9	178.5	0	111.8
144	T	32.6	Very low	36.8	Very low	138 Å²	138	139.9 Å²	139.9	85%	0.847	78%	0.783	S	S	*	*			trans	23.8	123.1	141.5	-8.4	0	0	0	0	120.7
145	V	38.5	Very low	36.7	Very low	127 Å²	127	140.2 Å²	140.2	77%	0.77	79%	0.786	S	S	*	*			trans	-83.2	152.2	166.6	-175.9	0	0	0	0	110.3
146	P	39.6	Very low	36.3	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	78%	0.783	S	S	*	*				-136	155.8	127	20.4	-0.2	0	0	0	114.9
147	P	41.2	Very low	35.9	Very low	94 Å²	94	138 Å²	138	61%	0.61	79%	0.787	S	S	*	*			trans	-99.9	150.6	-171.8	38	-30.1	0	0	0	112.3
148	H	32.4	Very low	35.3	Very low	160 Å²	160	130.1 Å²	130.1	74%	0.741	78%	0.781	S	S	*	*			trans	-150.2	132.5	158.8	-92.1	-73.6	0	0	0	114
149	Y	32.1	Very low	35.3	Very low	165 Å²	165	130.5 Å²	130.5	65%	0.647	78%	0.783	S	S	*	*			trans	-77.9	163.7	177.3	28.7	-93.9	0	0	0	112.8
150	P	39.8	Very low	34.9	Very low	128 Å²	128	133.9 Å²	133.9	83%	0.831	79%	0.788	S	S	*	*			trans	-86.6	139	-177.8	34.7	-30.6	0	0	0	111.6
151	V	34.2	Very low	34.4	Very low	127 Å²	127	133 Å²	133	77%	0.77	79%	0.786	S	S	*	*			trans	-127.1	119.4	171.6	174.2	0	0	0	0	109
152	V	34.8	Very low	33.7	Very low	128 Å²	128	132.8 Å²	132.8	78%	0.776	79%	0.786	S	S	*	*			trans	-63.2	141.7	163.6	171.4	0	0	0	0	109.3
153	C	27.5	Very low	33.2	Very low	120 Å²	120	131.3 Å²	131.3	81%	0.811	78%	0.779	S	S	*	*			trans	170.3	130.4	134.5	-91.4	0	0	0	0	112.5
154	C	31.2	Very low	33	Very low	123 Å²	123	131.2 Å²	131.2	83%	0.831	78%	0.778	S	S	*	*			trans	-68.1	164.4	152.6	-57.3	0	0	0	0	110.2
155	P	38.8	Very low	33.1	Very low	127 Å²	127	136 Å²	136	83%	0.825	78%	0.781	S	S	*	*				-146.4	170.3	112.1	33.3	-14.8	0	0	0	116.4
156	T	29.7	Very low	33.3	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	78%	0.782	S	S	*	*			trans	-79.8	162.2	-175.9	37.6	0	0	0	0	116.3
157	S	32.8	Very low	32.8	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	78%	0.782	S	S	*	*			trans	90.4	126.7	149	-15.8	0	0	0	0	120
158	G	27.6	Very low	32.4	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	80%	0.799	S	S	*	*			trans	-78.8	-146	173.2	0	0	0	0	0	114
159	P	41.3	Very low	32.1	Very low	123 Å²	123	138.5 Å²	138.5	80%	0.799	80%	0.803	S	S	*	*			cis	-130.4	178.3	3.9	40.5	-23.6	0	0	0	114.1
160	Q	28.6	Very low	32.1	Very low	196 Å²	196	142.3 Å²	142.3	92%	0.916	82%	0.816	S	S	*	*			trans	176	155.7	137.3	-83.5	-121	-27.3	0	0	112.7
161	M	26.3	Very low	31.9	Very low	168 Å²	168	140.4 Å²	140.4	83%	0.828	81%	0.811	S	S	*	*			trans	-100	172	-152	-65.7	-163.9	72.8	0	0	116.9
162	C	25.4	Very low	31.8	Very low	114 Å²	114	141.4 Å²	141.4	77%	0.77	82%	0.817	S	S	*	*			trans	78.6	140.5	150.4	-73.9	0	0	0	0	117.8
163	S	28.5	Very low	31.7	Very low	89 Å²	89	143.8 Å²	143.8	62%	0.622	83%	0.825	S	S	*	*			cis	-174.3	165	-4.1	59.2	0	0	0	0	108.7
164	K	29.9	Very low	31.9	Very low	199 Å²	199	141.8 Å²	141.8	87%	0.865	83%	0.825	S	S	*	*			trans	98.6	108.3	154.6	-61.4	172.7	-172.3	-173.9	0	119.6
165	R	35	Very low	32	Very low	239 Å²	239	141 Å²	141	90%	0.902	82%	0.821	S	S	*	*			trans	-81.7	167.8	145.2	-64.4	179.2	169	177	-2.9	109.7
166	P	42.6	Very low	32.2	Very low	123 Å²	123	144.3 Å²	144.3	80%	0.799	83%	0.825	S	S	*	*				-142.8	138.4	82.4	23.1	0.2	0	0	0	113.9
167	A	29.2	Very low	32.7	Very low	91 Å²	91	149.4 Å²	149.4	75%	0.752	83%	0.83	S	S	*	*				75.2	116.5	84	0	0	0	0	0	117.1
168	R	32	Very low	33.5	Very low	255 Å²	255	154.3 Å²	154.3	96%	0.962	84%	0.837	S	S	*	*				169.6	132.8	123.4	-106.3	178.4	171.6	168.4	-1.6	115.9
169	G	27.8	Very low	34.1	Very low	79 Å²	79	162 Å²	162	81%	0.814	84%	0.843	S	S	*	*			trans	72.8	151.1	143.5	0	0	0	0	0	118.3
170	R	30.8	Very low	34.6	Very low	245 Å²	245	168.1 Å²	168.1	93%	0.925	85%	0.85	S	S	*	*			cis	-170.1	151.3	-3.1	-179.5	175.9	-178	179.2	0.5	105.6
171	A	35.1	Very low	35.2	Very low	89 Å²	89	167.6 Å²	167.6	74%	0.736	85%	0.845	S	S	*	*			trans	-65.5	152.8	-179.5	0	0	0	0	0	115.3
172	T	33.3	Very low	35.9	Very low	147 Å²	147	164.1 Å²	164.1	90%	0.902	84%	0.838	S	S	*	*			trans	-149.3	142.5	148.5	34.8	0	0	0	0	112.4
173	L	33.5	Very low	37.1	Very low	178 Å²	178	165.6 Å²	165.6	93%	0.932	84%	0.843	S	S	*	*			trans	-77.5	152.2	-177.5	-71.6	134.9	0	0	0	113.4
174	G	30.9	Very low	38	Very low	78 Å²	78	166.6 Å²	166.6	80%	0.804	85%	0.845	S	S	*	*			trans	85.5	115.6	135.6	0	0	0	0	0	118.4
175	S	32.4	Very low	38.9	Very low	108 Å²	108	162.5 Å²	162.5	76%	0.755	84%	0.839	S	S	*	*				-178.8	110.3	116.1	-168.5	0	0	0	0	110.2	R177	S175-R177 PolarHBondContact O-N 3.12Å
176	Q	43.6	Very low	39.3	Very low	196 Å²	196	156 Å²	156	92%	0.916	82%	0.822	S	S	*	*			trans	-64.4	118.2	160.3	-75.6	-158.6	-7.9	0	0	109
177	R	39.9	Very low	39.9	Very low	232 Å²	232	156.3 Å²	156.3	88%	0.875	82%	0.824	S	S	*	*			trans	-133.3	99.9	156.6	-102.6	-179.1	167.6	176.7	-3.9	110.5	S175 R179	S175-R177 PolarHBondContact O-N 3.12Å; R177-R179 PolarHBondContact O-N 3.02Å; R177-R179 VanDerWaalsContact O-N 3.09Å
178	K	50.3	Low	41.1	Very low	218 Å²	218	160.9 Å²	160.9	95%	0.948	83%	0.827	S	S	*	*			trans	-40.3	103	164.1	-156.4	169.9	-171.9	172.3	0	110.1
179	R	39.4	Very low	42.7	Very low	234 Å²	234	155.8 Å²	155.8	88%	0.883	81%	0.814	S	S	*	*			trans	-113.8	105.4	170.1	-124.8	177.7	161	-177.6	-6.9	107.2	R177 K181	R177-R179 PolarHBondContact O-N 3.02Å; R177-R179 VanDerWaalsContact O-N 3.09Å; R179-K181 PolarHBondContact O-N 3.22Å
180	R	51.7	Low	44.8	Very low	252 Å²	252	160.6 Å²	160.6	95%	0.951	81%	0.812	S	S	*	*			trans	-53.6	107.5	164.4	-80.7	177.2	162.4	179.5	-5.7	106.7
181	K	41.9	Very low	47.3	Very low	185 Å²	185	153 Å²	153	80%	0.804	79%	0.787	S	S	*	*			trans	-95.8	121.7	179.8	-150.4	175.5	-177.9	-170.5	0	108	R179	R179-K181 PolarHBondContact O-N 3.22Å
182	S	40.5	Very low	50.1	Low	96 Å²	96	150.7 Å²	150.7	67%	0.671	76%	0.764	S	S	*	*			trans	-50.5	132.6	175	43.8	0	0	0	0	112	T184	S182-T184 VanDerWaalsContact C-N 3.33Å; S182-T184 PolarHBondContact O-N 3.15Å; S182-T184 VanDerWaalsContact O-N 3.09Å
183	V	50.8	Low	53	Low	145 Å²	145	144 Å²	144	88%	0.879	72%	0.723	S	S	*	*	S	Bend	trans	-79.7	83.1	172.9	179.3	0	0	0	0	108.4
184	T	46.6	Very low	55.9	Low	110 Å²	110	139.4 Å²	139.4	68%	0.675	70%	0.7	S	S	*	*			trans	-136.4	108.9	157	50	0	0	0	0	105.5	S182 D186	S182-T184 VanDerWaalsContact C-N 3.33Å; S182-T184 PolarHBondContact O-N 3.15Å; S182-T184 VanDerWaalsContact O-N 3.09Å; T184-D186 PolarHBondContact O-N 3.42Å; T184-D186 VanDerWaalsContact O-N 3.16Å
185	P	49	Very low	59.1	Low	112 Å²	112	135.7 Å²	135.7	73%	0.727	66%	0.662	S	S	*	*			trans	-63.7	119.7	178.4	24.3	-29.3	0	0	0	108.6
186	D	43.5	Very low	62.1	Low	103 Å²	103	136.9 Å²	136.9	55%	0.551	65%	0.65	S	S	*	*			trans	-62.4	127	169.7	-170.7	-15.1	0	0	0	107.3	T184 K188 E189	T184-D186 PolarHBondContact O-N 3.42Å; T184-D186 VanDerWaalsContact O-N 3.16Å; D186-K188 PolarHBondContact O-N 2.97Å; D186-E189 PolarHBondContact O-N 3.34Å; D186-E189 VanDerWaalsContact O-N 3.15Å
187	P	54.8	Low	64.5	Low	129 Å²	129	128 Å²	128	84%	0.838	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	4.5	-174.7	21.9	-33.8	0	0	0	115.3
188	K	56	Low	67.2	Low	188 Å²	188	122.6 Å²	122.6	82%	0.817	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-3.6	179.1	-65.7	-177.9	179.3	179.6	0	114.8	D186 K190	D186-K188 PolarHBondContact O-N 2.97Å; K188-K190 PolarHBondContact O-N 2.91Å
189	E	65	Low	69.4	Low	148 Å²	148	112.4 Å²	112.4	69%	0.692	54%	0.544	S	S	*	.	S	Bend	trans	-82.9	106.9	179.5	-147.9	165.9	-150.3	0	0	109.6	D186 Q191	D186-E189 PolarHBondContact O-N 3.34Å; D186-E189 VanDerWaalsContact O-N 3.15Å; E189-Q191 PolarHBondContact O-N 3.32Å
190	K	71.6	Confident	72	Confident	179 Å²	179	105.2 Å²	105.2	78%	0.778	52%	0.517	S	S	*	.			trans	-56	110.8	175.2	-72.1	-174.6	178.7	-171.6	0	108.2	K188 T192	K188-K190 PolarHBondContact O-N 2.91Å; K190-T192 PolarHBondContact O-N 3.05Å
191	Q	83.8	Confident	74	Confident	85 Å²	85	93.7 Å²	93.7	40%	0.397	48%	0.475	S	S	.	.			trans	-68.1	130.2	177.5	-70.9	-165.1	38.3	0	0	109.7	E189 N311	E189-Q191 PolarHBondContact O-N 3.32Å; Q191-N311 WeakPolarHBondContact CB-ND2 3.34Å; Q191-N311 PolarHBondContact NE2-OD1 3.16Å; Q191-N311 PolarHBondContact OE1-ND2 3.15Å; Q191-N311 PolarHBondContact OE1-OD1 3.08Å
192	T	92.9	Very high	76.4	Confident	42 Å²	42	86.4 Å²	86.4	26%	0.258	44%	0.444	S	S	.	.			trans	-118.9	157.4	175.4	61.4	0	0	0	0	110.7	K190 F250 K307	K190-T192 PolarHBondContact O-N 3.05Å; T192-F250 CarbonylContact C-O 3.59Å; T192-F250 WeakPolarHBondContact CA-O 3.33Å; T192-F250 WeakPolarHBondContact CB-O 3.46Å; T192-K307 WeakPolarHBondContact O-CE 3.41Å; T192-K307 PolarHBondContact O-NZ 2.69Å
193	C	94.5	Very high	78.9	Confident	6 Å²	6	83.2 Å²	83.2	4%	0.041	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	151.5	160.5	66.7	0	0	0	0	110	K249 F250	C193-K249 CarbonylContact O-C 3.57Å; C193-K249 WeakPolarHBondContact O-CA 3.43Å; C193-F250 PolarHBondContact N-O 3.39Å; C193-F250 PolarHBondContact O-N 3.32Å
194	D	95.1	Very high	80.8	Confident	81 Å²	81	79.4 Å²	79.4	43%	0.433	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.3	177.4	-69.3	-82.2	0	0	0	107.7	I248 K249	D194-I248 CarbonylContact C-O 3.51Å; D194-I248 WeakPolarHBondContact CA-O 3.28Å; D194-K249 WeakPolarHBondContact OD1-CE 3.43Å; D194-K249 WeakPolarHBondContact OD1-CG 3.45Å
195	I	96.8	Very high	82.7	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.2	177	-58	-61.6	0	0	0	108.3	I248 F250 L256 F259 V296 D300	I195-I248 PolarHBondContact N-O 3.44Å; I195-I248 PolarHBondContact O-N 2.99Å; I195-F250 HydrophobicContact CB-CD2 4.25Å; I195-F250 HydrophobicContact CB-CE2 3.96Å; I195-F250 HydrophobicContact CG1-CD2 3.59Å; I195-F250 HydrophobicContact CG1-CE2 3.67Å; I195-L256 HydrophobicContact CD1-CD1 3.75Å; I195-L256 HydrophobicContact CG1-CD1 3.61Å; I195-F259 HydrophobicContact CG2-CE1 3.96Å; I195-V296 HydrophobicContact CG2-CG1 3.58Å; I195-D300 HydrophobicContact CD1-CB 3.83Å; I195-D300 VanDerWaalsContact CD1-O 3.23Å; I195-D300 WeakPolarHBondContact CD1-O 3.4Å
196	R	95.4	Very high	84.6	Confident	133 Å²	133	76.4 Å²	76.4	50%	0.502	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.2	178.1	-162.3	170.8	-171.8	-159	0.8	111.8	I245 D300	R196-I245 HydrophobicContact CG-CG2 3.78Å; R196-I245 VanDerWaalsContact NE-CG2 3.3Å; R196-D300 WeakPolarHBondContact CB-OD2 3.4Å; R196-D300 PolarHBondContact N-OD2 2.84Å; R196-D300 VanDerWaalsContact N-OD2 3.15Å
197	L	95.8	Very high	86.8	Confident	8 Å²	8	78 Å²	78	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.9	173.6	168.5	66.1	0	0	0	109.7	V199 I245 C246 I248 L268 L272 V294 V296	L197-V199 HydrophobicContact CD1-CG2 4.24Å; L197-V199 HydrophobicContact CD2-CG2 4.31Å; L197-V199 HydrophobicContact CG-CG2 4.09Å; L197-I245 CarbonylContact O-C 3.48Å; L197-I245 WeakPolarHBondContact O-CA 3.23Å; L197-C246 HydrophobicContact CB-CB 4.26Å; L197-C246 HydrophobicContact CD2-CB 4.48Å; L197-C246 PolarHBondContact N-O 3.3Å; L197-C246 PolarHBondContact O-N 3.33Å; L197-I248 HydrophobicContact CB-CD1 4.01Å; L197-I248 HydrophobicContact CD2-CD1 3.9Å; L197-L268 HydrophobicContact CD1-CD2 4.31Å; L197-L272 HydrophobicContact CD2-CD1 4.14Å; L197-V294 HydrophobicContact CD1-CG1 3.59Å; L197-V296 HydrophobicContact CD1-CG2 3.72Å
198	R	96.2	Very high	88.4	Confident	119 Å²	119	75.6 Å²	75.6	45%	0.449	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.2	172	-173.8	175.1	-171.8	-171.5	-0	110.4	S243 I244 I245 V294 N295	R198-S243 PolarHBondContact NE-OG 3.04Å; R198-S243 PolarHBondContact NH2-OG 3.46Å; R198-I244 WeakPolarHBondContact CA-O 3.3Å; R198-I245 HydrophobicContact CG-CG1 4.24Å; R198-V294 WeakPolarHBondContact O-CA 3.31Å; R198-N295 HydrophobicContact CB-CB 4.43Å; R198-N295 PolarHBondContact N-O 3.19Å; R198-N295 PolarHBondContact O-N 3.03Å
199	V	96	Very high	89.9	Confident	4 Å²	4	67 Å²	67	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.2	174.9	-172.4	0	0	0	0	108.4	L197 S243 I244 L272 F276 L292 L293 V294	L197-V199 HydrophobicContact CD1-CG2 4.24Å; L197-V199 HydrophobicContact CD2-CG2 4.31Å; L197-V199 HydrophobicContact CG-CG2 4.09Å; V199-S243 CarbonylContact O-C 3.58Å; V199-S243 VanDerWaalsContact O-CA 3.27Å; V199-S243 WeakPolarHBondContact O-CA 3.5Å; V199-I244 PolarHBondContact N-O 3.14Å; V199-I244 PolarHBondContact O-N 3.31Å; V199-L272 HydrophobicContact CG2-CD1 3.87Å; V199-F276 HydrophobicContact CB-CD1 4.49Å; V199-F276 HydrophobicContact CB-CE1 4.25Å; V199-F276 HydrophobicContact CB-CE2 4.43Å; V199-F276 HydrophobicContact CB-CZ 4.21Å; V199-F276 HydrophobicContact CG1-CB 4.46Å; V199-F276 HydrophobicContact CG1-CD1 4.11Å; V199-F276 HydrophobicContact CG1-CD2 4.09Å; V199-F276 HydrophobicContact CG1-CE1 4.36Å; V199-F276 HydrophobicContact CG1-CE2 4.32Å; V199-F276 HydrophobicContact CG1-CG 3.97Å; V199-F276 HydrophobicContact CG1-CZ 4.45Å; V199-F276 HydrophobicContact CG2-CD2 4.49Å; V199-F276 HydrophobicContact CG2-CE1 4.45Å; V199-F276 HydrophobicContact CG2-CE2 3.94Å; V199-F276 HydrophobicContact CG2-CZ 3.92Å; V199-L292 HydrophobicContact CG1-CD2 4.13Å; V199-L293 CarbonylContact C-O 3.52Å; V199-L293 WeakPolarHBondContact CA-O 3.32Å; V199-V294 HydrophobicContact CG1-CG2 4.38Å; V199-V294 HydrophobicContact CG2-CG2 4.4Å
200	R	94.4	Very high	91.2	Very high	84 Å²	84	62.2 Å²	62.2	32%	0.317	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.4	-180	-171.4	179.3	-171.7	-161.8	6.5	110.3	E202 D240 L292 L293	R200-E202 WeakPolarHBondContact CD-OE1 3.47Å; R200-E202 HydrophobicContact CG-CG 4.17Å; R200-E202 IonicContact CZ-OE1 3.66Å; R200-E202 IonicContact NE-OE1 2.8Å; R200-E202 IonicContact NH1-OE1 2.72Å; R200-E202 PolarHBondContact NH1-OE1 3.4Å; R200-D240 IonicContact CZ-OD1 3.54Å; R200-D240 IonicContact NE-OD1 3.13Å; R200-D240 IonicContact NH2-OD1 3.17Å; R200-D240 PolarHBondContact NH2-OD1 2.92Å; R200-L292 CarbonylContact O-C 3.56Å; R200-L292 WeakPolarHBondContact O-CA 3.26Å; R200-L293 HydrophobicContact CB-CB 4.45Å; R200-L293 PolarHBondContact N-O 3.36Å; R200-L293 PolarHBondContact O-N 3.49Å
201	A	93.3	Very high	92.1	Very high	9 Å²	9	59.2 Å²	59.2	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.2	168	0	0	0	0	0	109.6	L241 L281 K291 L292	A201-L241 HydrophobicContact CB-CB 3.83Å; A201-L241 HydrophobicContact CB-CD1 3.87Å; A201-L281 HydrophobicContact CB-CD2 4.33Å; A201-K291 WeakPolarHBondContact CA-O 3.42Å; A201-L292 HydrophobicContact CB-CD2 3.89Å
202	E	92.1	Very high	92	Very high	33 Å²	33	59 Å²	59	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.7	177.4	-65.4	-174.2	169.4	0	0	110.2	R200 I290 K291 L293	R200-E202 WeakPolarHBondContact CD-OE1 3.47Å; R200-E202 HydrophobicContact CG-CG 4.17Å; R200-E202 IonicContact CZ-OE1 3.66Å; R200-E202 IonicContact NE-OE1 2.8Å; R200-E202 IonicContact NH1-OE1 2.72Å; R200-E202 PolarHBondContact NH1-OE1 3.4Å; E202-I290 CarbonylContact O-C 3.58Å; E202-I290 VanDerWaalsContact O-CA 3.23Å; E202-I290 WeakPolarHBondContact O-CA 3.34Å; E202-I290 WeakPolarHBondContact O-CB 3.44Å; E202-K291 HydrophobicContact CB-CG 4.15Å; E202-K291 PolarHBondContact N-O 3.29Å; E202-K291 PolarHBondContact O-N 2.92Å; E202-K291 WeakPolarHBondContact OE2-CE 3.48Å; E202-K291 IonicContact OE2-NZ 3.65Å; E202-K291 PolarHBondContact OE2-NZ 3.28Å; E202-L293 HydrophobicContact CG-CD1 4.19Å; E202-L293 WeakPolarHBondContact OE1-CD1 3.39Å; E202-L293 VanDerWaalsContact OE2-CD1 3.3Å; E202-L293 WeakPolarHBondContact OE2-CD1 3.18Å
203	Y	93.2	Very high	91.8	Very high	28 Å²	28	62 Å²	62	11%	0.11	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	137.8	167.7	-68	-83.6	0	0	0	110.2	Q205 H206 R239 L241 V285 E288 I290	Y203-Q205 VanDerWaalsContact C-N 3.3Å; Y203-H206 PolarHBondContact O-CD2 3.43Å; Y203-H206 PolarHBondContact O-CE1 3.49Å; Y203-H206 PolarHBondContact O-NE2 3.22Å; Y203-R239 HydrophobicContact CD2-CB 3.97Å; Y203-R239 WeakPolarHBondContact CD2-O 3.37Å; Y203-R239 HydrophobicContact CE2-CB 3.99Å; Y203-R239 VanDerWaalsContact CE2-O 3.25Å; Y203-R239 WeakPolarHBondContact CE2-O 3.48Å; Y203-L241 HydrophobicContact CD2-CD1 4.08Å; Y203-L241 HydrophobicContact CD2-CG 4.06Å; Y203-L241 HydrophobicContact CE2-CD1 3.91Å; Y203-L241 HydrophobicContact CE2-CD2 3.58Å; Y203-L241 HydrophobicContact CE2-CG 3.58Å; Y203-L241 HydrophobicContact CG-CD1 4.48Å; Y203-L241 WeakPolarHBondContact OH-CD2 3.08Å; Y203-V285 HydrophobicContact CD1-CG1 4.3Å; Y203-V285 HydrophobicContact CE1-CB 4.29Å; Y203-V285 HydrophobicContact CE1-CG1 3.74Å; Y203-V285 HydrophobicContact CE1-CG2 4.14Å; Y203-E288 HydrophobicContact CD1-CB 3.91Å; Y203-E288 WeakPolarHBondContact CD1-OE2 3.34Å; Y203-E288 HydrophobicContact CE1-CB 4.05Å; Y203-E288 WeakPolarHBondContact CE1-OE2 3.02Å; Y203-I290 HydrophobicContact CD1-CG2 3.89Å; Y203-I290 HydrophobicContact CE1-CG2 4.28Å; Y203-I290 HydrophobicContact CG-CG2 4.37Å
204	C	89.9	Confident	91.8	Very high	66 Å²	66	63.5 Å²	63.5	45%	0.446	33%	0.328	S	S	.	.	S	Bend	trans	-73.7	-27.1	177.3	-66.5	0	0	0	0	112.1	A289	C204-A289 HydrophobicContact CB-CB 4.15Å; C204-A289 WeakPolarHBondContact CB-O 2.79Å; C204-A289 PolarHBondContact N-O 2.71Å
205	Q	87.9	Confident	91.7	Very high	96 Å²	96	66.2 Å²	66.2	45%	0.449	34%	0.336	S	S	.	.			trans	-109.8	72.3	-169.1	-63	176.5	1.9	0	0	111.4	Y203 T208	Y203-Q205 VanDerWaalsContact C-N 3.3Å; Q205-T208 WeakPolarHBondContact CB-OG1 3.22Å; Q205-T208 PolarHBondContact O-OG1 3.16Å
206	H	88.8	Confident	91.6	Very high	62 Å²	62	66.3 Å²	66.3	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-78	-32.8	174.6	-65.6	-57.5	0	0	0	112.6	Y203 A209 L210 L236	Y203-H206 PolarHBondContact O-CD2 3.43Å; Y203-H206 PolarHBondContact O-CE1 3.49Å; Y203-H206 PolarHBondContact O-NE2 3.22Å; H206-A209 PolarHBondContact O-N 3.22Å; H206-L210 WeakPolarHBondContact O-CG 3.31Å; H206-L210 PolarHBondContact O-N 3.36Å; H206-L236 HydrophobicContact CB-CD2 4.19Å
207	E	88.9	Confident	91.5	Very high	136 Å²	136	66 Å²	66	64%	0.636	35%	0.346	S	S	*	.	H	α-helix	trans	-65.9	-45.7	-175.8	-170.5	178.5	179.2	0	0	112	A209 L210 Q211	E207-A209 PolarHBondContact O-N 3.03Å; E207-L210 PolarHBondContact O-N 3.24Å; E207-Q211 HydrophobicContact CG-CG 4.07Å; E207-Q211 WeakPolarHBondContact O-CB 3.29Å; E207-Q211 VanDerWaalsContact O-CG 3.32Å; E207-Q211 WeakPolarHBondContact O-CG 3.4Å; E207-Q211 PolarHBondContact O-N 3.39Å; E207-Q211 PolarHBondContact OE1-NE2 3.24Å
208	T	88.2	Confident	91.4	Very high	79 Å²	79	69.6 Å²	69.6	49%	0.485	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-31.2	177	53.5	0	0	0	0	112.5	Q205 L210	Q205-T208 WeakPolarHBondContact CB-OG1 3.22Å; Q205-T208 PolarHBondContact O-OG1 3.16Å; T208-L210 VanDerWaalsContact C-N 3.33Å
209	A	87.1	Confident	91.3	Very high	9 Å²	9	72.5 Å²	72.5	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-72.1	-27.6	175.5	0	0	0	0	0	112.7	H206 E207 N213 I235	H206-A209 PolarHBondContact O-N 3.22Å; E207-A209 PolarHBondContact O-N 3.03Å; A209-N213 PolarHBondContact O-ND2 3.36Å; A209-I235 HydrophobicContact CB-CG2 4.43Å
210	L	92.8	Very high	91.3	Very high	46 Å²	46	75.7 Å²	75.7	24%	0.241	40%	0.397	C	S	.	.	H	α-helix	trans	-89.5	-38.7	178.9	-66.7	174	0	0	0	112.2	H206 E207 T208 G212 N213 V214 A232 I235 L236	H206-L210 WeakPolarHBondContact O-CG 3.31Å; H206-L210 PolarHBondContact O-N 3.36Å; E207-L210 PolarHBondContact O-N 3.24Å; T208-L210 VanDerWaalsContact C-N 3.33Å; L210-G212 PolarHBondContact O-N 2.85Å; L210-N213 PolarHBondContact O-N 2.99Å; L210-N213 VanDerWaalsContact O-N 3.15Å; L210-V214 HydrophobicContact CB-CG2 4.39Å; L210-V214 HydrophobicContact CD2-CG2 3.93Å; L210-V214 PolarHBondContact O-N 3.4Å; L210-A232 HydrophobicContact CD2-CB 3.81Å; L210-I235 HydrophobicContact CD2-CB 4.21Å; L210-I235 HydrophobicContact CD2-CD1 4.35Å; L210-I235 HydrophobicContact CD2-CG2 4.15Å; L210-L236 HydrophobicContact CD1-CD1 4.45Å; L210-L236 HydrophobicContact CD1-CD2 4.32Å; L210-L236 HydrophobicContact CD2-CD2 4.43Å; L210-L236 HydrophobicContact CD2-CG 4.2Å; L210-L236 HydrophobicContact CG-CD2 4.49Å
211	Q	90.3	Very high	91.3	Very high	116 Å²	116	75.8 Å²	75.8	54%	0.542	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	126.7	177.6	-76	-179.4	-1.2	0	0	110.1	E207 N213	E207-Q211 HydrophobicContact CG-CG 4.07Å; E207-Q211 WeakPolarHBondContact O-CB 3.29Å; E207-Q211 VanDerWaalsContact O-CG 3.32Å; E207-Q211 WeakPolarHBondContact O-CG 3.4Å; E207-Q211 PolarHBondContact O-N 3.39Å; E207-Q211 PolarHBondContact OE1-NE2 3.24Å; Q211-N213 PolarHBondContact O-N 2.58Å
212	G	82.3	Confident	91.5	Very high	81 Å²	81	81.1 Å²	81.1	84%	0.835	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-17.4	-178.9	0	0	0	0	0	115.6	L210	L210-G212 PolarHBondContact O-N 2.85Å
213	N	88.3	Confident	91.7	Very high	104 Å²	104	84.2 Å²	84.2	56%	0.556	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-13.7	-179.8	-65.6	-43.8	0	0	0	113.9	A209 L210 Q211 I235	A209-N213 PolarHBondContact O-ND2 3.36Å; L210-N213 PolarHBondContact O-N 2.99Å; L210-N213 VanDerWaalsContact O-N 3.15Å; Q211-N213 PolarHBondContact O-N 2.58Å; N213-I235 HydrophobicContact CB-CD1 3.68Å
214	V	94.5	Very high	91.8	Very high	39 Å²	39	86.7 Å²	86.7	24%	0.236	46%	0.458	C	S	.	.			trans	-108.2	109.5	177.4	-179.4	0	0	0	0	109.5	L210 R228 Q231 A232 I235	L210-V214 HydrophobicContact CB-CG2 4.39Å; L210-V214 HydrophobicContact CD2-CG2 3.93Å; L210-V214 PolarHBondContact O-N 3.4Å; V214-R228 HydrophobicContact CG1-CB 3.71Å; V214-R228 HydrophobicContact CG1-CG 3.98Å; V214-R228 VanDerWaalsContact CG1-O 3.32Å; V214-R228 WeakPolarHBondContact CG1-O 3.09Å; V214-Q231 HydrophobicContact CG1-CB 4.39Å; V214-A232 HydrophobicContact CG1-CB 4.48Å; V214-A232 HydrophobicContact CG2-CB 3.91Å; V214-I235 HydrophobicContact CG2-CD1 3.8Å
215	F	92.8	Very high	92.1	Very high	137 Å²	137	89.1 Å²	89.1	60%	0.601	46%	0.463	S	S	*	.			trans	-147.7	142.6	-179.6	179	-98	0	0	0	111.6	N217 Q231	F215-N217 HydrophobicContact CE1-CB 4Å; F215-N217 HydrophobicContact CZ-CB 4.43Å; F215-Q231 VanDerWaalsContact O-CD 3.32Å; F215-Q231 PolarHBondContact O-NE2 3.36Å; F215-Q231 PolarHBondContact O-OE1 2.95Å
216	S	94.6	Very high	92.5	Very high	4 Å²	4	91 Å²	91	3%	0.028	47%	0.47	C	S	.	.			trans	-139.1	133.9	174.1	171	0	0	0	0	110	K218 R224 E227	S216-K218 WeakPolarHBondContact OG-CB 2.9Å; S216-K218 WeakPolarHBondContact OG-CG 3.3Å; S216-K218 PolarHBondContact OG-N 2.9Å; S216-R224 WeakPolarHBondContact OG-CA 3.47Å; S216-R224 WeakPolarHBondContact OG-CG 3.48Å; S216-E227 WeakPolarHBondContact CB-OE2 3.02Å; S216-E227 PolarHBondContact OG-OE2 2.79Å
217	N	93.6	Very high	92.9	Very high	127 Å²	127	90.9 Å²	90.9	68%	0.679	47%	0.47	S	S	*	.			trans	-99.5	6.1	176.3	66.1	-5	0	0	0	113	F215 Q219	F215-N217 HydrophobicContact CE1-CB 4Å; F215-N217 HydrophobicContact CZ-CB 4.43Å; N217-Q219 PolarHBondContact O-N 3.3Å
218	K	94.4	Very high	93.2	Very high	82 Å²	82	88.4 Å²	88.4	36%	0.357	46%	0.455	S	S	.	.			trans	-59.7	135.4	179.5	-69.6	-70.6	-163.5	145.6	0	110.9	S216 E223 R224 E227	S216-K218 WeakPolarHBondContact OG-CB 2.9Å; S216-K218 WeakPolarHBondContact OG-CG 3.3Å; S216-K218 PolarHBondContact OG-N 2.9Å; K218-E223 HydrophobicContact CB-CB 4.24Å; K218-E223 WeakPolarHBondContact CD-OE2 3.4Å; K218-E223 HydrophobicContact CG-CB 4.33Å; K218-E223 IonicContact NZ-OE2 3.76Å; K218-E223 PolarHBondContact NZ-OE2 3.4Å; K218-R224 HydrophobicContact CB-CB 4.02Å; K218-R224 PolarHBondContact O-NE 2.98Å; K218-R224 PolarHBondContact O-NH2 3.29Å; K218-E227 WeakPolarHBondContact CG-OE2 3.46Å
219	Q	93.2	Very high	93.6	Very high	181 Å²	181	90.8 Å²	90.8	85%	0.846	46%	0.458	S	S	*	.	S	Bend	trans	-73.3	-40.6	179.5	-66.1	-172.3	3	0	0	111.5	N217 R224	N217-Q219 PolarHBondContact O-N 3.3Å; Q219-R224 PolarHBondContact O-NH2 3.34Å
220	D	96.8	Very high	94	Very high	71 Å²	71	94.5 Å²	94.5	38%	0.38	48%	0.477	S	S	.	.	S	Bend	trans	-66.9	129	176.9	178.9	69.5	0	0	0	111.8	L222 E223 R224	D220-L222 PolarHBondContact O-N 2.76Å; D220-L222 WeakPolarHBondContact OD2-CA 3.21Å; D220-L222 WeakPolarHBondContact OD2-CB 3.46Å; D220-L222 PolarHBondContact OD2-N 3.44Å; D220-E223 HydrophobicContact CB-CB 4.11Å; D220-E223 HydrophobicContact CB-CG 4.15Å; D220-E223 PolarHBondContact OD2-N 3.3Å; D220-R224 VanDerWaalsContact O-CB 3.26Å; D220-R224 WeakPolarHBondContact O-CB 3.12Å; D220-R224 PolarHBondContact O-N 3.37Å
221	P	95.2	Very high	94.1	Very high	86 Å²	86	94.9 Å²	94.9	56%	0.558	48%	0.477	S	S	*	.	H	α-helix	trans	-61.9	-37.2	-178.5	-24.3	34.2	0	0	0	114.2	Q225	P221-Q225 VanDerWaalsContact O-CG 3.31Å; P221-Q225 WeakPolarHBondContact O-CG 3.49Å; P221-Q225 PolarHBondContact O-N 2.84Å; P221-Q225 VanDerWaalsContact O-N 3.16Å
222	L	96.4	Very high	94.4	Very high	121 Å²	121	90.3 Å²	90.3	63%	0.634	46%	0.459	S	S	*	.	H	α-helix	trans	-73.8	-48.5	-177.6	-66.9	173.6	0	0	0	110.4	D220 R224 Q225 F226	D220-L222 PolarHBondContact O-N 2.76Å; D220-L222 WeakPolarHBondContact OD2-CA 3.21Å; D220-L222 WeakPolarHBondContact OD2-CB 3.46Å; D220-L222 PolarHBondContact OD2-N 3.44Å; L222-R224 PolarHBondContact O-N 2.79Å; L222-Q225 PolarHBondContact O-N 2.92Å; L222-Q225 VanDerWaalsContact O-N 3.08Å; L222-F226 VanDerWaalsContact O-CD2 3.25Å; L222-F226 WeakPolarHBondContact O-CD2 3.23Å; L222-F226 PolarHBondContact O-N 3.03Å
223	E	95.9	Very high	95	Very high	97 Å²	97	88.8 Å²	88.8	45%	0.453	43%	0.432	S	S	.	.	H	α-helix	trans	-56.2	-41.6	174.9	-71.7	-168	-169	0	0	111.5	K218 D220 Q225 F226 E227	K218-E223 HydrophobicContact CB-CB 4.24Å; K218-E223 WeakPolarHBondContact CD-OE2 3.4Å; K218-E223 HydrophobicContact CG-CB 4.33Å; K218-E223 IonicContact NZ-OE2 3.76Å; K218-E223 PolarHBondContact NZ-OE2 3.4Å; D220-E223 HydrophobicContact CB-CB 4.11Å; D220-E223 HydrophobicContact CB-CG 4.15Å; D220-E223 PolarHBondContact OD2-N 3.3Å; E223-Q225 VanDerWaalsContact C-N 3.33Å; E223-Q225 PolarHBondContact O-N 3.49Å; E223-F226 PolarHBondContact O-N 2.85Å; E223-E227 WeakPolarHBondContact O-CB 3.44Å; E223-E227 PolarHBondContact O-N 2.98Å
224	R	96.3	Very high	95.4	Very high	81 Å²	81	88.3 Å²	88.3	31%	0.306	43%	0.433	S	S	.	.	H	α-helix	trans	-60.3	-42.3	176.8	-170.8	-171.5	-61.6	159.2	6.7	112.1	S216 K218 Q219 D220 L222 R228	S216-R224 WeakPolarHBondContact OG-CA 3.47Å; S216-R224 WeakPolarHBondContact OG-CG 3.48Å; K218-R224 HydrophobicContact CB-CB 4.02Å; K218-R224 PolarHBondContact O-NE 2.98Å; K218-R224 PolarHBondContact O-NH2 3.29Å; Q219-R224 PolarHBondContact O-NH2 3.34Å; D220-R224 VanDerWaalsContact O-CB 3.26Å; D220-R224 WeakPolarHBondContact O-CB 3.12Å; D220-R224 PolarHBondContact O-N 3.37Å; L222-R224 PolarHBondContact O-N 2.79Å; R224-R228 WeakPolarHBondContact O-CB 3.46Å; R224-R228 VanDerWaalsContact O-CG 3.26Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 2.88Å; R224-R228 VanDerWaalsContact O-N 3.09Å
225	Q	96	Very high	95.4	Very high	117 Å²	117	88 Å²	88	55%	0.547	43%	0.43	S	S	.	.	H	α-helix	trans	-70.1	-42.7	178.1	-69.2	-61.9	-16	0	0	111.8	P221 L222 E223 E227 R228 F229	P221-Q225 VanDerWaalsContact O-CG 3.31Å; P221-Q225 WeakPolarHBondContact O-CG 3.49Å; P221-Q225 PolarHBondContact O-N 2.84Å; P221-Q225 VanDerWaalsContact O-N 3.16Å; L222-Q225 PolarHBondContact O-N 2.92Å; L222-Q225 VanDerWaalsContact O-N 3.08Å; E223-Q225 VanDerWaalsContact C-N 3.33Å; E223-Q225 PolarHBondContact O-N 3.49Å; Q225-E227 VanDerWaalsContact C-N 3.33Å; Q225-E227 PolarHBondContact O-N 3.48Å; Q225-R228 PolarHBondContact O-N 3.25Å; Q225-F229 VanDerWaalsContact O-CB 3.3Å; Q225-F229 WeakPolarHBondContact O-CB 3.43Å; Q225-F229 PolarHBondContact O-N 2.95Å
226	F	96.9	Very high	95.3	Very high	135 Å²	135	84.7 Å²	84.7	59%	0.592	42%	0.418	S	S	*	.	H	α-helix	trans	-60.6	-42.6	175.8	-84.9	-67.9	0	0	0	112.1	L222 E223 F229 N230	L222-F226 VanDerWaalsContact O-CD2 3.25Å; L222-F226 WeakPolarHBondContact O-CD2 3.23Å; L222-F226 PolarHBondContact O-N 3.03Å; E223-F226 PolarHBondContact O-N 2.85Å; F226-F229 PolarHBondContact O-N 3.24Å; F226-N230 WeakPolarHBondContact O-CB 3.25Å; F226-N230 PolarHBondContact O-N 2.86Å; F226-N230 PolarHBondContact O-ND2 3.44Å
227	E	95.9	Very high	95.2	Very high	60 Å²	60	91.2 Å²	91.2	28%	0.28	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-47.8	178	-173.5	176.7	-156.8	0	0	111.5	S216 K218 E223 Q225 F229 N230 Q231	S216-E227 WeakPolarHBondContact CB-OE2 3.02Å; S216-E227 PolarHBondContact OG-OE2 2.79Å; K218-E227 WeakPolarHBondContact CG-OE2 3.46Å; E223-E227 WeakPolarHBondContact O-CB 3.44Å; E223-E227 PolarHBondContact O-N 2.98Å; Q225-E227 VanDerWaalsContact C-N 3.33Å; Q225-E227 PolarHBondContact O-N 3.48Å; E227-F229 VanDerWaalsContact C-N 3.31Å; E227-F229 PolarHBondContact O-N 3.01Å; E227-N230 PolarHBondContact O-N 2.84Å; E227-Q231 WeakPolarHBondContact O-CG 3.49Å; E227-Q231 PolarHBondContact O-N 2.81Å
228	R	95.9	Very high	95.1	Very high	84 Å²	84	89.7 Å²	89.7	32%	0.317	45%	0.445	S	S	.	.	H	α-helix	trans	-59.5	-42.3	176	-72.7	175.3	-175.6	-171	-1.6	111.9	V214 R224 Q225 Q231 A232	V214-R228 HydrophobicContact CG1-CB 3.71Å; V214-R228 HydrophobicContact CG1-CG 3.98Å; V214-R228 VanDerWaalsContact CG1-O 3.32Å; V214-R228 WeakPolarHBondContact CG1-O 3.09Å; R224-R228 WeakPolarHBondContact O-CB 3.46Å; R224-R228 VanDerWaalsContact O-CG 3.26Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 2.88Å; R224-R228 VanDerWaalsContact O-N 3.09Å; Q225-R228 PolarHBondContact O-N 3.25Å; R228-Q231 PolarHBondContact O-N 3.43Å; R228-A232 VanDerWaalsContact O-CB 3.32Å; R228-A232 WeakPolarHBondContact O-CB 3.23Å; R228-A232 PolarHBondContact O-N 3.41Å
229	F	96.1	Very high	94.9	Very high	128 Å²	128	88 Å²	88	56%	0.561	44%	0.436	S	S	*	.	H	α-helix	trans	-61.7	-46.2	176.1	175.2	-96.9	0	0	0	111.8	Q225 F226 E227 Q231 A232 N233	Q225-F229 VanDerWaalsContact O-CB 3.3Å; Q225-F229 WeakPolarHBondContact O-CB 3.43Å; Q225-F229 PolarHBondContact O-N 2.95Å; F226-F229 PolarHBondContact O-N 3.24Å; E227-F229 VanDerWaalsContact C-N 3.31Å; E227-F229 PolarHBondContact O-N 3.01Å; F229-Q231 PolarHBondContact O-N 2.92Å; F229-A232 PolarHBondContact O-N 3.25Å; F229-N233 WeakPolarHBondContact O-CB 3.47Å; F229-N233 PolarHBondContact O-N 2.81Å
230	N	95.8	Very high	94.8	Very high	87 Å²	87	83.4 Å²	83.4	47%	0.465	42%	0.418	S	S	.	.	H	α-helix	trans	-65.1	-40.4	179.5	-77	-31.7	0	0	0	112.3	F226 E227 N233 T234	F226-N230 WeakPolarHBondContact O-CB 3.25Å; F226-N230 PolarHBondContact O-N 2.86Å; F226-N230 PolarHBondContact O-ND2 3.44Å; E227-N230 PolarHBondContact O-N 2.84Å; N230-N233 PolarHBondContact O-N 3.39Å; N230-T234 WeakPolarHBondContact O-CB 3.47Å; N230-T234 PolarHBondContact O-N 2.87Å; N230-T234 PolarHBondContact O-OG1 2.86Å
231	Q	96	Very high	94.6	Very high	54 Å²	54	82.2 Å²	82.2	25%	0.252	41%	0.411	S	S	.	.	H	α-helix	trans	-61.8	-51.2	173.7	-71	173.8	8.3	0	0	111	V214 F215 E227 R228 F229 N233 T234 I235	V214-Q231 HydrophobicContact CG1-CB 4.39Å; F215-Q231 VanDerWaalsContact O-CD 3.32Å; F215-Q231 PolarHBondContact O-NE2 3.36Å; F215-Q231 PolarHBondContact O-OE1 2.95Å; E227-Q231 WeakPolarHBondContact O-CG 3.49Å; E227-Q231 PolarHBondContact O-N 2.81Å; R228-Q231 PolarHBondContact O-N 3.43Å; F229-Q231 PolarHBondContact O-N 2.92Å; Q231-N233 VanDerWaalsContact C-N 3.32Å; Q231-N233 PolarHBondContact O-N 3.29Å; Q231-T234 WeakPolarHBondContact O-CB 3.37Å; Q231-T234 PolarHBondContact O-N 3.15Å; Q231-T234 VanDerWaalsContact O-N 3.15Å; Q231-I235 WeakPolarHBondContact O-CG1 3.3Å; Q231-I235 PolarHBondContact O-N 2.94Å
232	A	96.1	Very high	94.3	Very high	20 Å²	20	79.3 Å²	79.3	17%	0.165	40%	0.397	C	S	.	.	H	α-helix	trans	-57.8	-45	177.8	0	0	0	0	0	111.8	L210 V214 R228 F229 T234 I235 L236	L210-A232 HydrophobicContact CD2-CB 3.81Å; V214-A232 HydrophobicContact CG1-CB 4.48Å; V214-A232 HydrophobicContact CG2-CB 3.91Å; R228-A232 VanDerWaalsContact O-CB 3.32Å; R228-A232 WeakPolarHBondContact O-CB 3.23Å; R228-A232 PolarHBondContact O-N 3.41Å; F229-A232 PolarHBondContact O-N 3.25Å; A232-T234 VanDerWaalsContact C-N 3.33Å; A232-T234 PolarHBondContact O-N 3Å; A232-I235 PolarHBondContact O-N 3.46Å; A232-L236 WeakPolarHBondContact O-CB 3.36Å; A232-L236 VanDerWaalsContact O-CG 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.48Å; A232-L236 PolarHBondContact O-N 3.33Å
233	N	95.2	Very high	94.1	Very high	50 Å²	50	75.7 Å²	75.7	27%	0.267	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-38.6	178.2	-166.8	21.7	0	0	0	111.9	F229 N230 Q231 K237	F229-N233 WeakPolarHBondContact O-CB 3.47Å; F229-N233 PolarHBondContact O-N 2.81Å; N230-N233 PolarHBondContact O-N 3.39Å; Q231-N233 VanDerWaalsContact C-N 3.32Å; Q231-N233 PolarHBondContact O-N 3.29Å; N233-K237 PolarHBondContact ND2-NZ 3.29Å; N233-K237 VanDerWaalsContact O-CB 3.29Å; N233-K237 WeakPolarHBondContact O-CB 3.49Å; N233-K237 WeakPolarHBondContact O-CG 3.47Å; N233-K237 PolarHBondContact O-N 3.37Å; N233-K237 VanDerWaalsContact OD1-CE 3.31Å; N233-K237 WeakPolarHBondContact OD1-CE 3.27Å
234	T	95.1	Very high	93.9	Very high	94 Å²	94	75.2 Å²	75.2	58%	0.577	38%	0.382	S	S	*	.	H	α-helix	trans	-64.4	-45.2	176	-58.1	0	0	0	0	111	N230 Q231 A232 K237 S238	N230-T234 WeakPolarHBondContact O-CB 3.47Å; N230-T234 PolarHBondContact O-N 2.87Å; N230-T234 PolarHBondContact O-OG1 2.86Å; Q231-T234 WeakPolarHBondContact O-CB 3.37Å; Q231-T234 PolarHBondContact O-N 3.15Å; Q231-T234 VanDerWaalsContact O-N 3.15Å; A232-T234 VanDerWaalsContact C-N 3.33Å; A232-T234 PolarHBondContact O-N 3Å; T234-K237 PolarHBondContact O-N 3.15Å; T234-S238 PolarHBondContact O-N 2.86Å
235	I	94.3	Very high	93.8	Very high	33 Å²	33	74.9 Å²	74.9	17%	0.169	39%	0.385	C	S	.	.	H	α-helix	trans	-60.2	-51.5	176.3	-65.9	164.3	0	0	0	110.2	A209 L210 N213 V214 Q231 A232 K237 S238 R239	A209-I235 HydrophobicContact CB-CG2 4.43Å; L210-I235 HydrophobicContact CD2-CB 4.21Å; L210-I235 HydrophobicContact CD2-CD1 4.35Å; L210-I235 HydrophobicContact CD2-CG2 4.15Å; N213-I235 HydrophobicContact CB-CD1 3.68Å; V214-I235 HydrophobicContact CG2-CD1 3.8Å; Q231-I235 WeakPolarHBondContact O-CG1 3.3Å; Q231-I235 PolarHBondContact O-N 2.94Å; A232-I235 PolarHBondContact O-N 3.46Å; I235-K237 VanDerWaalsContact C-N 3.35Å; I235-K237 PolarHBondContact O-N 2.89Å; I235-S238 PolarHBondContact O-N 2.85Å; I235-S238 PolarHBondContact O-OG 3.36Å; I235-R239 PolarHBondContact O-N 2.8Å
236	L	92.5	Very high	93.7	Very high	67 Å²	67	71.2 Å²	71.2	35%	0.351	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-38.8	-179	-67.9	173.1	0	0	0	112.7	H206 L210 A232 R239 D240	H206-L236 HydrophobicContact CB-CD2 4.19Å; L210-L236 HydrophobicContact CD1-CD1 4.45Å; L210-L236 HydrophobicContact CD1-CD2 4.32Å; L210-L236 HydrophobicContact CD2-CD2 4.43Å; L210-L236 HydrophobicContact CD2-CG 4.2Å; L210-L236 HydrophobicContact CG-CD2 4.49Å; A232-L236 WeakPolarHBondContact O-CB 3.36Å; A232-L236 VanDerWaalsContact O-CG 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.48Å; A232-L236 PolarHBondContact O-N 3.33Å; L236-R239 CarbonylContact O-C 3.38Å; L236-R239 PolarHBondContact O-N 2.82Å; L236-D240 PolarHBondContact O-N 2.61Å
237	K	92.5	Very high	93.6	Very high	141 Å²	141	70.3 Å²	70.3	61%	0.613	37%	0.373	S	S	*	.	H	α-helix	trans	-65	-39.4	175.5	-78.2	172.8	175.9	175.2	0	112.7	N233 T234 I235 R239 D240	N233-K237 PolarHBondContact ND2-NZ 3.29Å; N233-K237 VanDerWaalsContact O-CB 3.29Å; N233-K237 WeakPolarHBondContact O-CB 3.49Å; N233-K237 WeakPolarHBondContact O-CG 3.47Å; N233-K237 PolarHBondContact O-N 3.37Å; N233-K237 VanDerWaalsContact OD1-CE 3.31Å; N233-K237 WeakPolarHBondContact OD1-CE 3.27Å; T234-K237 PolarHBondContact O-N 3.15Å; I235-K237 VanDerWaalsContact C-N 3.35Å; I235-K237 PolarHBondContact O-N 2.89Å; K237-R239 PolarHBondContact O-N 3.43Å; K237-D240 PolarHBondContact O-N 3.39Å
238	S	90.8	Very high	93.5	Very high	94 Å²	94	69.7 Å²	69.7	66%	0.657	37%	0.372	S	S	*	.	H	α-helix	trans	-67.1	-20.4	176.6	71.9	0	0	0	0	113.2	T234 I235	T234-S238 PolarHBondContact O-N 2.86Å; I235-S238 PolarHBondContact O-N 2.85Å; I235-S238 PolarHBondContact O-OG 3.36Å
239	R	90.9	Very high	93.6	Very high	46 Å²	46	72.7 Å²	72.7	17%	0.174	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	18.7	178.8	-66	-179.6	64	112.4	-7.9	113	Y203 I235 L236 K237 L241 E288	Y203-R239 HydrophobicContact CD2-CB 3.97Å; Y203-R239 WeakPolarHBondContact CD2-O 3.37Å; Y203-R239 HydrophobicContact CE2-CB 3.99Å; Y203-R239 VanDerWaalsContact CE2-O 3.25Å; Y203-R239 WeakPolarHBondContact CE2-O 3.48Å; I235-R239 PolarHBondContact O-N 2.8Å; L236-R239 CarbonylContact O-C 3.38Å; L236-R239 PolarHBondContact O-N 2.82Å; K237-R239 PolarHBondContact O-N 3.43Å; R239-L241 PolarHBondContact O-N 2.96Å; R239-E288 IonicContact CZ-OE1 2.61Å; R239-E288 IonicContact CZ-OE2 3.98Å; R239-E288 VanDerWaalsContact CZ-OE2 3.26Å; R239-E288 IonicContact NH1-OE1 3.83Å; R239-E288 PolarHBondContact NH1-OE1 3.5Å; R239-E288 IonicContact NH1-OE2 2.82Å; R239-E288 PolarHBondContact NH1-OE2 3.31Å; R239-E288 VanDerWaalsContact NH2-CD 3.33Å; R239-E288 IonicContact NH2-OE1 3.71Å; R239-E288 PolarHBondContact NH2-OE1 2.94Å; R239-E288 IonicContact NH2-OE2 3.03Å; R239-E288 PolarHBondContact NH2-OE2 2.91Å
240	D	90.9	Very high	93.6	Very high	85 Å²	85	67.5 Å²	67.5	46%	0.455	36%	0.364	S	S	.	.			trans	-80	115.5	173.3	-168.3	34.9	0	0	0	110.2	R200 L236 K237 G242	R200-D240 IonicContact CZ-OD1 3.54Å; R200-D240 IonicContact NE-OD1 3.13Å; R200-D240 IonicContact NH2-OD1 3.17Å; R200-D240 PolarHBondContact NH2-OD1 2.92Å; L236-D240 PolarHBondContact O-N 2.61Å; K237-D240 PolarHBondContact O-N 3.39Å; D240-G242 PolarHBondContact O-N 2.85Å
241	L	91.6	Very high	93.4	Very high	46 Å²	46	66.1 Å²	66.1	24%	0.241	36%	0.362	C	S	.	.			trans	-79.2	-2	175.4	-63.2	174.5	0	0	0	112.4	A201 Y203 R239 L281 V285 I290	A201-L241 HydrophobicContact CB-CB 3.83Å; A201-L241 HydrophobicContact CB-CD1 3.87Å; Y203-L241 HydrophobicContact CD2-CD1 4.08Å; Y203-L241 HydrophobicContact CD2-CG 4.06Å; Y203-L241 HydrophobicContact CE2-CD1 3.91Å; Y203-L241 HydrophobicContact CE2-CD2 3.58Å; Y203-L241 HydrophobicContact CE2-CG 3.58Å; Y203-L241 HydrophobicContact CG-CD1 4.48Å; Y203-L241 WeakPolarHBondContact OH-CD2 3.08Å; R239-L241 PolarHBondContact O-N 2.96Å; L241-L281 HydrophobicContact CD2-CD1 4.28Å; L241-V285 HydrophobicContact CD1-CG2 3.94Å; L241-V285 HydrophobicContact CD2-CG2 3.77Å; L241-I290 HydrophobicContact CD1-CB 4.41Å; L241-I290 HydrophobicContact CD1-CG2 3.62Å
242	G	89.7	Confident	93.2	Very high	26 Å²	26	67.9 Å²	67.9	27%	0.268	37%	0.37	S	S	.	.			trans	83.3	176.5	179.5	0	0	0	0	0	113.4	D240	D240-G242 PolarHBondContact O-N 2.85Å
243	S	92.4	Very high	93	Very high	45 Å²	45	67.7 Å²	67.7	32%	0.315	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.9	174.8	64.2	0	0	0	0	110.8	R198 V199	R198-S243 PolarHBondContact NE-OG 3.04Å; R198-S243 PolarHBondContact NH2-OG 3.46Å; V199-S243 CarbonylContact O-C 3.58Å; V199-S243 VanDerWaalsContact O-CA 3.27Å; V199-S243 WeakPolarHBondContact O-CA 3.5Å
244	I	92.1	Very high	92.8	Very high	87 Å²	87	69.7 Å²	69.7	45%	0.446	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.8	173.8	-64.9	168.5	0	0	0	107.7	R198 V199 F276	R198-I244 WeakPolarHBondContact CA-O 3.3Å; V199-I244 PolarHBondContact N-O 3.14Å; V199-I244 PolarHBondContact O-N 3.31Å; I244-F276 HydrophobicContact CB-CE1 3.86Å; I244-F276 HydrophobicContact CD1-CD1 3.72Å; I244-F276 HydrophobicContact CD1-CE1 3.47Å; I244-F276 VanDerWaalsContact CD1-CE1 3.47Å; I244-F276 HydrophobicContact CG1-CE1 4.23Å; I244-F276 HydrophobicContact CG2-CE1 3.88Å; I244-F276 HydrophobicContact CG2-CZ 4.34Å
245	I	93.9	Very high	92.8	Very high	73 Å²	73	72 Å²	72	37%	0.374	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.8	178.9	-58	178.6	0	0	0	106.9	R196 L197 R198	R196-I245 HydrophobicContact CG-CG2 3.78Å; R196-I245 VanDerWaalsContact NE-CG2 3.3Å; L197-I245 CarbonylContact O-C 3.48Å; L197-I245 WeakPolarHBondContact O-CA 3.23Å; R198-I245 HydrophobicContact CG-CG1 4.24Å
246	C	93.6	Very high	92.9	Very high	40 Å²	40	70.4 Å²	70.4	27%	0.27	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.7	179.2	-60.4	0	0	0	0	108.8	L197 I248	L197-C246 HydrophobicContact CB-CB 4.26Å; L197-C246 HydrophobicContact CD2-CB 4.48Å; L197-C246 PolarHBondContact N-O 3.3Å; L197-C246 PolarHBondContact O-N 3.33Å; C246-I248 HydrophobicContact CB-CG1 4.28Å
247	D	94.1	Very high	93	Very high	116 Å²	116	68.7 Å²	68.7	62%	0.62	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.6	169	-58.5	-36.9	0	0	0	107.8
248	I	95.1	Very high	93.1	Very high	48 Å²	48	63.3 Å²	63.3	25%	0.246	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.7	-174.9	-53.4	175.5	0	0	0	108.9	D194 I195 L197 C246 F250 F259	D194-I248 CarbonylContact C-O 3.51Å; D194-I248 WeakPolarHBondContact CA-O 3.28Å; I195-I248 PolarHBondContact N-O 3.44Å; I195-I248 PolarHBondContact O-N 2.99Å; L197-I248 HydrophobicContact CB-CD1 4.01Å; L197-I248 HydrophobicContact CD2-CD1 3.9Å; C246-I248 HydrophobicContact CB-CG1 4.28Å; I248-F250 HydrophobicContact CB-CE2 3.95Å; I248-F250 HydrophobicContact CG2-CD2 4.09Å; I248-F250 HydrophobicContact CG2-CE1 4.45Å; I248-F250 HydrophobicContact CG2-CE2 3.45Å; I248-F250 VanDerWaalsContact CG2-CE2 3.45Å; I248-F250 HydrophobicContact CG2-CZ 3.67Å; I248-F259 HydrophobicContact CD1-CE2 3.94Å; I248-F259 HydrophobicContact CD1-CZ 3.99Å
249	K	95.9	Very high	93.4	Very high	146 Å²	146	60.1 Å²	60.1	64%	0.635	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.4	177.4	-76.8	179.6	176.2	-175.8	0	111.3	C193 D194	C193-K249 CarbonylContact O-C 3.57Å; C193-K249 WeakPolarHBondContact O-CA 3.43Å; D194-K249 WeakPolarHBondContact OD1-CE 3.43Å; D194-K249 WeakPolarHBondContact OD1-CG 3.45Å
250	F	96.1	Very high	93.6	Very high	19 Å²	19	59.4 Å²	59.4	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.8	172.4	-65.1	-90.1	0	0	0	110.4	T192 C193 I195 I248 L256 F259 L308	T192-F250 CarbonylContact C-O 3.59Å; T192-F250 WeakPolarHBondContact CA-O 3.33Å; T192-F250 WeakPolarHBondContact CB-O 3.46Å; C193-F250 PolarHBondContact N-O 3.39Å; C193-F250 PolarHBondContact O-N 3.32Å; I195-F250 HydrophobicContact CB-CD2 4.25Å; I195-F250 HydrophobicContact CB-CE2 3.96Å; I195-F250 HydrophobicContact CG1-CD2 3.59Å; I195-F250 HydrophobicContact CG1-CE2 3.67Å; I248-F250 HydrophobicContact CB-CE2 3.95Å; I248-F250 HydrophobicContact CG2-CD2 4.09Å; I248-F250 HydrophobicContact CG2-CE1 4.45Å; I248-F250 HydrophobicContact CG2-CE2 3.45Å; I248-F250 VanDerWaalsContact CG2-CE2 3.45Å; I248-F250 HydrophobicContact CG2-CZ 3.67Å; F250-L256 HydrophobicContact CB-CB 4.2Å; F250-L256 HydrophobicContact CB-CD1 4.46Å; F250-L256 HydrophobicContact CD1-CB 4.16Å; F250-L256 HydrophobicContact CD2-CD1 3.73Å; F250-L256 HydrophobicContact CE2-CD1 4.04Å; F250-L256 HydrophobicContact CG-CB 4.1Å; F250-L256 HydrophobicContact CG-CD1 4Å; F250-F259 HydrophobicContact CE1-CB 3.83Å; F250-F259 HydrophobicContact CE1-CG 4.21Å; F250-F259 HydrophobicContact CE2-CD1 4.17Å; F250-F259 HydrophobicContact CE2-CG 4.34Å; F250-F259 HydrophobicContact CZ-CB 3.64Å; F250-F259 AromaticContact CZ-CD1 3.78Å; F250-F259 HydrophobicContact CZ-CD1 3.78Å; F250-F259 AromaticContact CZ-CD2 3.95Å; F250-F259 HydrophobicContact CZ-CD2 3.95Å; F250-F259 HydrophobicContact CZ-CE1 4.43Å; F250-F259 AromaticContact CZ-CG 3.51Å; F250-F259 HydrophobicContact CZ-CG 3.51Å; F250-L308 HydrophobicContact CB-CD1 4.23Å
251	S	93.2	Very high	93.8	Very high	59 Å²	59	62.6 Å²	62.6	41%	0.413	32%	0.321	S	S	.	.			trans	-102.2	-15.9	172.7	54	0	0	0	0	113.3
252	E	90.8	Very high	94	Very high	90 Å²	90	63.4 Å²	63.4	42%	0.421	33%	0.326	S	S	.	.			trans	-127.3	135.4	-174.5	-63.9	175.6	-139.4	0	0	110.2	T254 Y255 L256	E252-T254 VanDerWaalsContact C-N 3.27Å; E252-T254 PolarHBondContact O-N 2.98Å; E252-Y255 HydrophobicContact CB-CD2 3.75Å; E252-Y255 HydrophobicContact CB-CE2 4.23Å; E252-Y255 VanDerWaalsContact CD-CE2 3.42Å; E252-Y255 HydrophobicContact CG-CD2 4.23Å; E252-Y255 HydrophobicContact CG-CE2 4.29Å; E252-Y255 PolarHBondContact O-N 3.32Å; E252-Y255 VanDerWaalsContact OE2-CE2 3.29Å; E252-Y255 WeakPolarHBondContact OE2-CE2 3.49Å; E252-L256 PolarHBondContact O-N 3.19Å
253	L	91.5	Very high	94.2	Very high	16 Å²	16	64.8 Å²	64.8	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-36.7	-178.4	-178.7	59.9	0	0	0	112	V114 Y255 L256 D257 R305 L308 L309	V114-L253 HydrophobicContact CG2-CD2 3.55Å; V114-L253 HydrophobicContact CG2-CG 4.42Å; L253-Y255 PolarHBondContact O-N 3.47Å; L253-L256 PolarHBondContact O-N 3.25Å; L253-D257 PolarHBondContact O-N 3.4Å; L253-R305 HydrophobicContact CD1-CB 4.38Å; L253-R305 HydrophobicContact CD1-CG 3.54Å; L253-L308 HydrophobicContact CB-CB 4.19Å; L253-L308 HydrophobicContact CD1-CB 4.26Å; L253-L309 HydrophobicContact CD2-CB 4.09Å; L253-L309 HydrophobicContact CD2-CD1 3.78Å
254	T	91.1	Very high	94.1	Very high	93 Å²	93	68.1 Å²	68.1	57%	0.571	34%	0.336	S	S	*	.	H	α-helix	trans	-61	-44.4	179.3	48.2	0	0	0	0	112.6	E252 A258	E252-T254 VanDerWaalsContact C-N 3.27Å; E252-T254 PolarHBondContact O-N 2.98Å; T254-A258 VanDerWaalsContact O-CB 3.31Å; T254-A258 WeakPolarHBondContact O-CB 3.26Å; T254-A258 PolarHBondContact O-N 3.32Å
255	Y	95.8	Very high	94.1	Very high	142 Å²	142	68.2 Å²	68.2	56%	0.557	34%	0.338	S	S	*	.	H	α-helix	trans	-70	-36.4	177.4	-64.7	-44.7	0	0	0	112.1	E252 L253 F259	E252-Y255 HydrophobicContact CB-CD2 3.75Å; E252-Y255 HydrophobicContact CB-CE2 4.23Å; E252-Y255 VanDerWaalsContact CD-CE2 3.42Å; E252-Y255 HydrophobicContact CG-CD2 4.23Å; E252-Y255 HydrophobicContact CG-CE2 4.29Å; E252-Y255 PolarHBondContact O-N 3.32Å; E252-Y255 VanDerWaalsContact OE2-CE2 3.29Å; E252-Y255 WeakPolarHBondContact OE2-CE2 3.49Å; L253-Y255 PolarHBondContact O-N 3.47Å; Y255-F259 VanDerWaalsContact O-CB 3.28Å; Y255-F259 WeakPolarHBondContact O-CB 3.39Å; Y255-F259 PolarHBondContact O-N 3.26Å
256	L	95.8	Very high	93.9	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-48.7	175.2	179.5	65.8	0	0	0	111.2	I195 F250 E252 L253 A258 F259 W260 Y301 R305 L308	I195-L256 HydrophobicContact CD1-CD1 3.75Å; I195-L256 HydrophobicContact CG1-CD1 3.61Å; F250-L256 HydrophobicContact CB-CB 4.2Å; F250-L256 HydrophobicContact CB-CD1 4.46Å; F250-L256 HydrophobicContact CD1-CB 4.16Å; F250-L256 HydrophobicContact CD2-CD1 3.73Å; F250-L256 HydrophobicContact CE2-CD1 4.04Å; F250-L256 HydrophobicContact CG-CB 4.1Å; F250-L256 HydrophobicContact CG-CD1 4Å; E252-L256 PolarHBondContact O-N 3.19Å; L253-L256 PolarHBondContact O-N 3.25Å; L256-A258 PolarHBondContact O-N 3.46Å; L256-F259 PolarHBondContact O-N 3.06Å; L256-W260 WeakPolarHBondContact O-CB 3.08Å; L256-W260 PolarHBondContact O-N 2.92Å; L256-Y301 HydrophobicContact CD1-CD2 3.91Å; L256-Y301 HydrophobicContact CD1-CE2 4.46Å; L256-Y301 HydrophobicContact CD2-CD2 4.15Å; L256-Y301 HydrophobicContact CD2-CE2 4.3Å; L256-Y301 HydrophobicContact CG-CD2 3.8Å; L256-Y301 HydrophobicContact CG-CE2 3.9Å; L256-R305 HydrophobicContact CD2-CB 4.04Å; L256-L308 HydrophobicContact CB-CD1 4.31Å; L256-L308 HydrophobicContact CD2-CD1 4.03Å
257	D	94.5	Very high	94	Very high	31 Å²	31	66.9 Å²	66.9	17%	0.166	34%	0.34	C	S	.	.	H	α-helix	trans	-66.7	-36.8	179.7	-80.5	-13.6	0	0	0	112	L253 R261 Y301 R305	L253-D257 PolarHBondContact O-N 3.4Å; D257-R261 VanDerWaalsContact O-CB 3.32Å; D257-R261 WeakPolarHBondContact O-CB 3.45Å; D257-R261 PolarHBondContact O-N 3.21Å; D257-Y301 WeakPolarHBondContact OD1-CE2 3.46Å; D257-Y301 PolarHBondContact OD1-OH 2.95Å; D257-R305 IonicContact OD1-CZ 3.98Å; D257-R305 IonicContact OD1-NE 2.7Å; D257-R305 PolarHBondContact OD1-NE 3.32Å; D257-R305 IonicContact OD1-NH2 3.04Å; D257-R305 IonicContact OD2-CZ 2.62Å; D257-R305 IonicContact OD2-NE 3.26Å; D257-R305 PolarHBondContact OD2-NE 3.48Å; D257-R305 IonicContact OD2-NH2 2.85Å; D257-R305 PolarHBondContact OD2-NH2 2.67Å
258	A	95.1	Very high	94	Very high	27 Å²	27	62.5 Å²	62.5	22%	0.223	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-46.8	172.9	0	0	0	0	0	111.7	T254 L256 W260 R261 D262	T254-A258 VanDerWaalsContact O-CB 3.31Å; T254-A258 WeakPolarHBondContact O-CB 3.26Å; T254-A258 PolarHBondContact O-N 3.32Å; L256-A258 PolarHBondContact O-N 3.46Å; A258-W260 PolarHBondContact O-N 3.02Å; A258-R261 PolarHBondContact O-N 3.36Å; A258-D262 VanDerWaalsContact O-CG 3.3Å; A258-D262 PolarHBondContact O-N 2.8Å
259	F	96.9	Very high	93.9	Very high	27 Å²	27	62.5 Å²	62.5	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-45.9	176.7	172.6	-96.7	0	0	0	112	I195 I248 F250 Y255 L256 D262 Y263 L268 V296	I195-F259 HydrophobicContact CG2-CE1 3.96Å; I248-F259 HydrophobicContact CD1-CE2 3.94Å; I248-F259 HydrophobicContact CD1-CZ 3.99Å; F250-F259 HydrophobicContact CE1-CB 3.83Å; F250-F259 HydrophobicContact CE1-CG 4.21Å; F250-F259 HydrophobicContact CE2-CD1 4.17Å; F250-F259 HydrophobicContact CE2-CG 4.34Å; F250-F259 HydrophobicContact CZ-CB 3.64Å; F250-F259 AromaticContact CZ-CD1 3.78Å; F250-F259 HydrophobicContact CZ-CD1 3.78Å; F250-F259 AromaticContact CZ-CD2 3.95Å; F250-F259 HydrophobicContact CZ-CD2 3.95Å; F250-F259 HydrophobicContact CZ-CE1 4.43Å; F250-F259 AromaticContact CZ-CG 3.51Å; F250-F259 HydrophobicContact CZ-CG 3.51Å; Y255-F259 VanDerWaalsContact O-CB 3.28Å; Y255-F259 WeakPolarHBondContact O-CB 3.39Å; Y255-F259 PolarHBondContact O-N 3.26Å; L256-F259 PolarHBondContact O-N 3.06Å; F259-D262 PolarHBondContact O-N 2.99Å; F259-Y263 PolarHBondContact O-N 2.97Å; F259-L268 HydrophobicContact CD2-CD2 4.39Å; F259-L268 HydrophobicContact CE2-CD1 4.07Å; F259-L268 HydrophobicContact CE2-CD2 3.64Å; F259-L268 HydrophobicContact CZ-CD2 3.8Å; F259-V296 HydrophobicContact CE1-CG1 3.91Å; F259-V296 HydrophobicContact CE1-CG2 3.96Å; F259-V296 HydrophobicContact CZ-CG2 3.92Å
260	W	96.4	Very high	93.7	Very high	31 Å²	31	60.9 Å²	60.9	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-41.8	177.9	-176.3	-109.9	0	0	0	112.3	L256 A258 D262 Y263 I264 V296 E298 Y301	L256-W260 WeakPolarHBondContact O-CB 3.08Å; L256-W260 PolarHBondContact O-N 2.92Å; A258-W260 PolarHBondContact O-N 3.02Å; W260-D262 VanDerWaalsContact C-N 3.34Å; W260-D262 PolarHBondContact O-N 2.96Å; W260-Y263 HydrophobicContact CD2-CD1 4.46Å; W260-Y263 AromaticContact CE3-CD1 3.88Å; W260-Y263 HydrophobicContact CE3-CD1 3.88Å; W260-Y263 HydrophobicContact CH2-CD1 4.04Å; W260-Y263 AromaticContact CH2-CE1 4Å; W260-Y263 HydrophobicContact CH2-CE1 4Å; W260-Y263 AromaticContact CZ3-CD1 3.65Å; W260-Y263 HydrophobicContact CZ3-CD1 3.65Å; W260-Y263 AromaticContact CZ3-CE1 3.89Å; W260-Y263 HydrophobicContact CZ3-CE1 3.89Å; W260-Y263 WeakPolarHBondContact O-CB 3.5Å; W260-Y263 PolarHBondContact O-N 3.45Å; W260-I264 HydrophobicContact CD2-CG1 4.37Å; W260-I264 HydrophobicContact CH2-CD1 4.48Å; W260-I264 HydrophobicContact CZ2-CD1 3.84Å; W260-I264 HydrophobicContact CZ2-CG1 4.27Å; W260-I264 WeakPolarHBondContact O-CG1 3.46Å; W260-I264 PolarHBondContact O-N 3.31Å; W260-V296 HydrophobicContact CE3-CG1 4.12Å; W260-V296 HydrophobicContact CZ3-CB 4.1Å; W260-V296 HydrophobicContact CZ3-CG1 3.8Å; W260-E298 HydrophobicContact CH2-CB 3.7Å; W260-E298 HydrophobicContact CH2-CG 3.76Å; W260-E298 HydrophobicContact CZ2-CB 4.31Å; W260-E298 HydrophobicContact CZ2-CG 3.84Å; W260-Y301 HydrophobicContact CB-CD2 3.57Å; W260-Y301 HydrophobicContact CB-CE1 4.39Å; W260-Y301 HydrophobicContact CB-CE2 3.31Å; W260-Y301 HydrophobicContact CB-CG 4.22Å; W260-Y301 AromaticContact CD1-CD1 3.9Å; W260-Y301 AromaticContact CD1-CE1 3.37Å; W260-Y301 AromaticContact CD1-CE2 3.87Å; W260-Y301 AromaticContact CD1-CZ 3.34Å; W260-Y301 AromaticContact CD2-CD1 3.57Å; W260-Y301 HydrophobicContact CD2-CD1 3.57Å; W260-Y301 AromaticContact CD2-CD2 3.85Å; W260-Y301 HydrophobicContact CD2-CD2 3.85Å; W260-Y301 AromaticContact CD2-CE1 3.89Å; W260-Y301 HydrophobicContact CD2-CE1 3.89Å; W260-Y301 HydrophobicContact CD2-CE2 4.17Å; W260-Y301 AromaticContact CD2-CG 3.54Å; W260-Y301 HydrophobicContact CD2-CG 3.54Å; W260-Y301 AromaticContact CE2-CD1 3.56Å; W260-Y301 AromaticContact CE2-CE1 3.79Å; W260-Y301 HydrophobicContact CE3-CD1 4.06Å; W260-Y301 HydrophobicContact CE3-CD2 4.06Å; W260-Y301 AromaticContact CE3-CG 3.65Å; W260-Y301 HydrophobicContact CE3-CG 3.65Å; W260-Y301 AromaticContact CG-CD1 3.81Å; W260-Y301 HydrophobicContact CG-CD1 3.81Å; W260-Y301 AromaticContact CG-CD2 3.64Å; W260-Y301 HydrophobicContact CG-CD2 3.64Å; W260-Y301 AromaticContact CG-CE1 3.64Å; W260-Y301 HydrophobicContact CG-CE1 3.64Å; W260-Y301 AromaticContact CG-CE2 3.49Å; W260-Y301 HydrophobicContact CG-CE2 3.49Å; W260-Y301 VanDerWaalsContact CG-CE2 3.49Å; W260-Y301 AromaticContact CG-CG 3.8Å; W260-Y301 HydrophobicContact CG-CG 3.8Å; W260-Y301 AromaticContact CG-CZ 3.47Å; W260-Y301 VanDerWaalsContact CG-CZ 3.47Å; W260-Y301 HydrophobicContact CZ2-CD1 4.07Å; W260-Y301 HydrophobicContact CZ3-CG 4.24Å; W260-Y301 AromaticContact NE1-CD1 3.74Å; W260-Y301 AromaticContact NE1-CE1 3.44Å; W260-Y301 AromaticContact NE1-CZ 3.95Å
261	R	94.9	Very high	93.5	Very high	152 Å²	152	63.1 Å²	63.1	57%	0.574	33%	0.333	S	S	*	.	H	α-helix	trans	-60.7	-43.5	175	179.6	177.6	59.3	-142.2	-6.1	111.9	D257 A258 Y263 I264 N265	D257-R261 VanDerWaalsContact O-CB 3.32Å; D257-R261 WeakPolarHBondContact O-CB 3.45Å; D257-R261 PolarHBondContact O-N 3.21Å; A258-R261 PolarHBondContact O-N 3.36Å; R261-Y263 VanDerWaalsContact C-N 3.26Å; R261-Y263 PolarHBondContact O-N 2.72Å; R261-I264 PolarHBondContact O-N 3.14Å; R261-N265 WeakPolarHBondContact O-CB 3.48Å; R261-N265 PolarHBondContact O-N 3.48Å; R261-N265 PolarHBondContact O-ND2 2.84Å; R261-N265 PolarHBondContact O-OD1 3.34Å
262	D	94.1	Very high	93.6	Very high	64 Å²	64	61.4 Å²	61.4	34%	0.342	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-30.6	177.6	-68.9	-11	0	0	0	112	A258 F259 W260 N265 G266 S267 L268	A258-D262 VanDerWaalsContact O-CG 3.3Å; A258-D262 PolarHBondContact O-N 2.8Å; F259-D262 PolarHBondContact O-N 2.99Å; W260-D262 VanDerWaalsContact C-N 3.34Å; W260-D262 PolarHBondContact O-N 2.96Å; D262-N265 VanDerWaalsContact CA-OD1 3.26Å; D262-N265 WeakPolarHBondContact CA-OD1 3.43Å; D262-N265 PolarHBondContact O-OD1 2.99Å; D262-G266 CarbonylContact O-C 3.58Å; D262-G266 PolarHBondContact O-N 3.34Å; D262-S267 PolarHBondContact O-N 3.31Å; D262-L268 HydrophobicContact CB-CB 4.29Å; D262-L268 WeakPolarHBondContact O-CB 3.42Å; D262-L268 PolarHBondContact O-N 3.18Å
263	Y	94.9	Very high	93.6	Very high	54 Å²	54	60.5 Å²	60.5	21%	0.212	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-53.7	170.5	172.5	-116.4	0	0	0	111.6	F259 W260 R261 N265 G266 L268 V294 V296	F259-Y263 PolarHBondContact O-N 2.97Å; W260-Y263 HydrophobicContact CD2-CD1 4.46Å; W260-Y263 AromaticContact CE3-CD1 3.88Å; W260-Y263 HydrophobicContact CE3-CD1 3.88Å; W260-Y263 HydrophobicContact CH2-CD1 4.04Å; W260-Y263 AromaticContact CH2-CE1 4Å; W260-Y263 HydrophobicContact CH2-CE1 4Å; W260-Y263 AromaticContact CZ3-CD1 3.65Å; W260-Y263 HydrophobicContact CZ3-CD1 3.65Å; W260-Y263 AromaticContact CZ3-CE1 3.89Å; W260-Y263 HydrophobicContact CZ3-CE1 3.89Å; W260-Y263 WeakPolarHBondContact O-CB 3.5Å; W260-Y263 PolarHBondContact O-N 3.45Å; R261-Y263 VanDerWaalsContact C-N 3.26Å; R261-Y263 PolarHBondContact O-N 2.72Å; Y263-N265 VanDerWaalsContact C-N 3.34Å; Y263-N265 PolarHBondContact O-N 2.92Å; Y263-G266 PolarHBondContact O-N 3.03Å; Y263-G266 VanDerWaalsContact O-N 3.15Å; Y263-L268 HydrophobicContact CD2-CD2 4.24Å; Y263-V294 HydrophobicContact CD2-CG1 4.04Å; Y263-V294 HydrophobicContact CE2-CG1 4.06Å; Y263-V296 HydrophobicContact CD1-CB 4Å; Y263-V296 HydrophobicContact CD1-CG2 4.22Å; Y263-V296 HydrophobicContact CD2-CB 4.24Å; Y263-V296 HydrophobicContact CD2-CG2 3.68Å; Y263-V296 HydrophobicContact CE1-CB 3.96Å; Y263-V296 HydrophobicContact CE1-CG2 4.45Å; Y263-V296 HydrophobicContact CE2-CB 4.22Å; Y263-V296 HydrophobicContact CE2-CG2 3.96Å; Y263-V296 HydrophobicContact CG-CB 4.14Å; Y263-V296 HydrophobicContact CG-CG2 3.82Å
264	I	91	Very high	93.3	Very high	115 Å²	115	63.1 Å²	63.1	59%	0.59	35%	0.345	S	S	*	.	H	α-helix	trans	-63	-38.4	-176.6	-66.4	-64.2	0	0	0	112.4	W260 R261 G266	W260-I264 HydrophobicContact CD2-CG1 4.37Å; W260-I264 HydrophobicContact CH2-CD1 4.48Å; W260-I264 HydrophobicContact CZ2-CD1 3.84Å; W260-I264 HydrophobicContact CZ2-CG1 4.27Å; W260-I264 WeakPolarHBondContact O-CG1 3.46Å; W260-I264 PolarHBondContact O-N 3.31Å; R261-I264 PolarHBondContact O-N 3.14Å; I264-G266 VanDerWaalsContact C-N 3.29Å; I264-G266 PolarHBondContact O-N 2.97Å
265	N	91.4	Very high	93.2	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.4	-179.8	73.2	14.3	0	0	0	113.6	R261 D262 Y263 S267	R261-N265 WeakPolarHBondContact O-CB 3.48Å; R261-N265 PolarHBondContact O-N 3.48Å; R261-N265 PolarHBondContact O-ND2 2.84Å; R261-N265 PolarHBondContact O-OD1 3.34Å; D262-N265 VanDerWaalsContact CA-OD1 3.26Å; D262-N265 WeakPolarHBondContact CA-OD1 3.43Å; D262-N265 PolarHBondContact O-OD1 2.99Å; Y263-N265 VanDerWaalsContact C-N 3.34Å; Y263-N265 PolarHBondContact O-N 2.92Å; N265-S267 VanDerWaalsContact C-N 3.3Å; N265-S267 PolarHBondContact O-N 2.94Å; N265-S267 WeakPolarHBondContact OD1-CB 3.32Å; N265-S267 PolarHBondContact OD1-N 3.49Å; N265-S267 PolarHBondContact OD1-OG 3.12Å
266	G	90.6	Very high	92.8	Very high	29 Å²	29	58.6 Å²	58.6	30%	0.299	33%	0.329	S	S	.	.	S	Bend	trans	80.1	-0	179.7	0	0	0	0	0	115.6	D262 Y263 I264 L268 L269 E270	D262-G266 CarbonylContact O-C 3.58Å; D262-G266 PolarHBondContact O-N 3.34Å; Y263-G266 PolarHBondContact O-N 3.03Å; Y263-G266 VanDerWaalsContact O-N 3.15Å; I264-G266 VanDerWaalsContact C-N 3.29Å; I264-G266 PolarHBondContact O-N 2.97Å; G266-L268 VanDerWaalsContact C-N 3.29Å; G266-L268 PolarHBondContact O-N 2.87Å; G266-L269 WeakPolarHBondContact O-CB 3.19Å; G266-L269 PolarHBondContact O-N 3.37Å; G266-E270 PolarHBondContact O-N 3.01Å
267	S	94.3	Very high	92.4	Very high	57 Å²	57	60.5 Å²	60.5	40%	0.399	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-35.1	179.2	-63.8	0	0	0	0	112	D262 N265 L269 E270 A271	D262-S267 PolarHBondContact O-N 3.31Å; N265-S267 VanDerWaalsContact C-N 3.3Å; N265-S267 PolarHBondContact O-N 2.94Å; N265-S267 WeakPolarHBondContact OD1-CB 3.32Å; N265-S267 PolarHBondContact OD1-N 3.49Å; N265-S267 PolarHBondContact OD1-OG 3.12Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.13Å; S267-E270 PolarHBondContact O-N 3.24Å; S267-A271 WeakPolarHBondContact O-CB 3.38Å; S267-A271 PolarHBondContact O-N 3.34Å
268	L	94.1	Very high	92.1	Very high	23 Å²	23	62.1 Å²	62.1	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-60	-44.6	174.3	-179.1	61.5	0	0	0	111	L197 F259 D262 Y263 G266 E270 A271 L272 V294 V296	L197-L268 HydrophobicContact CD1-CD2 4.31Å; F259-L268 HydrophobicContact CD2-CD2 4.39Å; F259-L268 HydrophobicContact CE2-CD1 4.07Å; F259-L268 HydrophobicContact CE2-CD2 3.64Å; F259-L268 HydrophobicContact CZ-CD2 3.8Å; D262-L268 HydrophobicContact CB-CB 4.29Å; D262-L268 WeakPolarHBondContact O-CB 3.42Å; D262-L268 PolarHBondContact O-N 3.18Å; Y263-L268 HydrophobicContact CD2-CD2 4.24Å; G266-L268 VanDerWaalsContact C-N 3.29Å; G266-L268 PolarHBondContact O-N 2.87Å; L268-E270 PolarHBondContact O-N 3.28Å; L268-A271 PolarHBondContact O-N 3.46Å; L268-L272 HydrophobicContact CD1-CD1 4.01Å; L268-L272 HydrophobicContact CD1-CG 4.04Å; L268-L272 HydrophobicContact CG-CD1 4Å; L268-L272 HydrophobicContact CG-CG 4.35Å; L268-L272 WeakPolarHBondContact O-CB 3.46Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 3.4Å; L268-V294 HydrophobicContact CD2-CG1 4.1Å; L268-V294 HydrophobicContact CG-CG1 4.45Å; L268-V296 HydrophobicContact CD2-CG2 4.37Å
269	L	93.3	Very high	91.8	Very high	49 Å²	49	66.7 Å²	66.7	26%	0.257	37%	0.37	S	S	.	.	H	α-helix	trans	-60.2	-46.4	177.9	174.9	65	0	0	0	111.3	G266 S267 L272 K273 L292 V294	G266-L269 WeakPolarHBondContact O-CB 3.19Å; G266-L269 PolarHBondContact O-N 3.37Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-L269 PolarHBondContact O-N 3.13Å; L269-L272 PolarHBondContact O-N 3.41Å; L269-K273 WeakPolarHBondContact O-CG 3.34Å; L269-K273 PolarHBondContact O-N 2.93Å; L269-L292 HydrophobicContact CD1-CB 3.9Å; L269-L292 WeakPolarHBondContact CD1-O 3.45Å; L269-V294 HydrophobicContact CB-CG2 4.38Å; L269-V294 HydrophobicContact CD1-CB 4.25Å; L269-V294 HydrophobicContact CD1-CG2 3.55Å
270	E	92.3	Very high	91.4	Very high	111 Å²	111	69.7 Å²	69.7	52%	0.519	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-44.4	179.1	-65.5	-52	136	0	0	112.2	G266 S267 L268 L272 K273	G266-E270 PolarHBondContact O-N 3.01Å; S267-E270 PolarHBondContact O-N 3.24Å; L268-E270 PolarHBondContact O-N 3.28Å; E270-L272 VanDerWaalsContact C-N 3.29Å; E270-L272 PolarHBondContact O-N 2.93Å; E270-K273 PolarHBondContact O-N 3.37Å; E270-K273 WeakPolarHBondContact OE1-CE 3.35Å; E270-K273 IonicContact OE1-NZ 3.91Å; E270-K273 PolarHBondContact OE1-NZ 2.66Å; E270-K273 WeakPolarHBondContact OE2-CD 3.24Å; E270-K273 IonicContact OE2-NZ 2.99Å; E270-K273 PolarHBondContact OE2-NZ 3.02Å
271	A	92.3	Very high	91.1	Very high	66 Å²	66	69.7 Å²	69.7	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-39.7	176.1	0	0	0	0	0	111.8	S267 L268 K273	S267-A271 WeakPolarHBondContact O-CB 3.38Å; S267-A271 PolarHBondContact O-N 3.34Å; L268-A271 PolarHBondContact O-N 3.46Å; A271-K273 PolarHBondContact O-N 3.49Å
272	L	93.8	Very high	90.8	Very high	23 Å²	23	67.5 Å²	67.5	12%	0.12	39%	0.391	C	S	.	.	H	α-helix	trans	-73	-24.4	-178.8	-71.1	-173.4	0	0	0	113.5	L197 V199 L268 L269 E270 G274 V275 F276 V294	L197-L272 HydrophobicContact CD2-CD1 4.14Å; V199-L272 HydrophobicContact CG2-CD1 3.87Å; L268-L272 HydrophobicContact CD1-CD1 4.01Å; L268-L272 HydrophobicContact CD1-CG 4.04Å; L268-L272 HydrophobicContact CG-CD1 4Å; L268-L272 HydrophobicContact CG-CG 4.35Å; L268-L272 WeakPolarHBondContact O-CB 3.46Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 3.4Å; L269-L272 PolarHBondContact O-N 3.41Å; E270-L272 VanDerWaalsContact C-N 3.29Å; E270-L272 PolarHBondContact O-N 2.93Å; L272-G274 VanDerWaalsContact C-N 3.29Å; L272-G274 PolarHBondContact O-N 3.41Å; L272-V275 PolarHBondContact O-N 2.88Å; L272-V275 VanDerWaalsContact O-N 3.12Å; L272-F276 HydrophobicContact CB-CD2 3.89Å; L272-F276 HydrophobicContact CB-CE2 4.33Å; L272-F276 HydrophobicContact CD1-CE2 4.2Å; L272-F276 HydrophobicContact CD2-CD2 3.94Å; L272-F276 HydrophobicContact CD2-CE2 3.63Å; L272-F276 HydrophobicContact CG-CD2 4.31Å; L272-F276 HydrophobicContact CG-CE2 4.24Å; L272-F276 WeakPolarHBondContact O-CB 3.42Å; L272-F276 WeakPolarHBondContact O-CD2 3.37Å; L272-F276 PolarHBondContact O-N 3.33Å; L272-V294 HydrophobicContact CD1-CG1 4.45Å; L272-V294 HydrophobicContact CD1-CG2 3.94Å
273	K	90.8	Very high	90.6	Very high	71 Å²	71	72.3 Å²	72.3	31%	0.309	41%	0.412	S	S	.	.	H	α-helix	trans	-56.4	-43.1	174	-74	173.1	-171.1	171.3	0	112.4	L269 E270 A271 V275 I277 L292	L269-K273 WeakPolarHBondContact O-CG 3.34Å; L269-K273 PolarHBondContact O-N 2.93Å; E270-K273 PolarHBondContact O-N 3.37Å; E270-K273 WeakPolarHBondContact OE1-CE 3.35Å; E270-K273 IonicContact OE1-NZ 3.91Å; E270-K273 PolarHBondContact OE1-NZ 2.66Å; E270-K273 WeakPolarHBondContact OE2-CD 3.24Å; E270-K273 IonicContact OE2-NZ 2.99Å; E270-K273 PolarHBondContact OE2-NZ 3.02Å; A271-K273 PolarHBondContact O-N 3.49Å; K273-V275 PolarHBondContact O-N 2.79Å; K273-I277 HydrophobicContact CB-CD1 4.1Å; K273-I277 HydrophobicContact CG-CD1 4.1Å; K273-I277 VanDerWaalsContact O-CB 3.24Å; K273-I277 WeakPolarHBondContact O-CB 3.45Å; K273-I277 WeakPolarHBondContact O-CG1 3.49Å; K273-I277 PolarHBondContact O-N 2.91Å; K273-L292 HydrophobicContact CB-CD1 4.39Å; K273-L292 HydrophobicContact CG-CD1 3.99Å
274	G	85.4	Confident	90.2	Very high	71 Å²	71	73.5 Å²	73.5	73%	0.732	43%	0.433	S	S	*	.	H	α-helix	trans	-67.6	-24.3	179.8	0	0	0	0	0	113.9	L272	L272-G274 VanDerWaalsContact C-N 3.29Å; L272-G274 PolarHBondContact O-N 3.41Å
275	V	89.1	Confident	90.2	Very high	100 Å²	100	68.7 Å²	68.7	61%	0.606	41%	0.408	S	S	*	.	H	α-helix	trans	-92.6	-42.6	-178.4	-178.4	0	0	0	0	111.5	L272 K273	L272-V275 PolarHBondContact O-N 2.88Å; L272-V275 VanDerWaalsContact O-N 3.12Å; K273-V275 PolarHBondContact O-N 2.79Å
276	F	87.6	Confident	90.1	Very high	40 Å²	40	66.7 Å²	66.7	18%	0.175	41%	0.409	C	S	.	.	H	α-helix	trans	-92.4	-27.7	-172.2	-77.5	-83.9	0	0	0	113.7	V199 I244 L272 T278 L292	V199-F276 HydrophobicContact CB-CD1 4.49Å; V199-F276 HydrophobicContact CB-CE1 4.25Å; V199-F276 HydrophobicContact CB-CE2 4.43Å; V199-F276 HydrophobicContact CB-CZ 4.21Å; V199-F276 HydrophobicContact CG1-CB 4.46Å; V199-F276 HydrophobicContact CG1-CD1 4.11Å; V199-F276 HydrophobicContact CG1-CD2 4.09Å; V199-F276 HydrophobicContact CG1-CE1 4.36Å; V199-F276 HydrophobicContact CG1-CE2 4.32Å; V199-F276 HydrophobicContact CG1-CG 3.97Å; V199-F276 HydrophobicContact CG1-CZ 4.45Å; V199-F276 HydrophobicContact CG2-CD2 4.49Å; V199-F276 HydrophobicContact CG2-CE1 4.45Å; V199-F276 HydrophobicContact CG2-CE2 3.94Å; V199-F276 HydrophobicContact CG2-CZ 3.92Å; I244-F276 HydrophobicContact CB-CE1 3.86Å; I244-F276 HydrophobicContact CD1-CD1 3.72Å; I244-F276 HydrophobicContact CD1-CE1 3.47Å; I244-F276 VanDerWaalsContact CD1-CE1 3.47Å; I244-F276 HydrophobicContact CG1-CE1 4.23Å; I244-F276 HydrophobicContact CG2-CE1 3.88Å; I244-F276 HydrophobicContact CG2-CZ 4.34Å; L272-F276 HydrophobicContact CB-CD2 3.89Å; L272-F276 HydrophobicContact CB-CE2 4.33Å; L272-F276 HydrophobicContact CD1-CE2 4.2Å; L272-F276 HydrophobicContact CD2-CD2 3.94Å; L272-F276 HydrophobicContact CD2-CE2 3.63Å; L272-F276 HydrophobicContact CG-CD2 4.31Å; L272-F276 HydrophobicContact CG-CE2 4.24Å; L272-F276 WeakPolarHBondContact O-CB 3.42Å; L272-F276 WeakPolarHBondContact O-CD2 3.37Å; L272-F276 PolarHBondContact O-N 3.33Å; F276-T278 VanDerWaalsContact C-N 3.25Å; F276-T278 PolarHBondContact O-N 3.29Å; F276-L292 HydrophobicContact CB-CD1 3.95Å; F276-L292 HydrophobicContact CB-CD2 4.4Å
277	I	88	Confident	89.8	Confident	40 Å²	40	75.1 Å²	75.1	21%	0.205	44%	0.44	C	S	.	.	S	Bend	trans	-85.7	73.1	174.6	-48.4	-177.6	0	0	0	109.4	K273 K282 I290 L292	K273-I277 HydrophobicContact CB-CD1 4.1Å; K273-I277 HydrophobicContact CG-CD1 4.1Å; K273-I277 VanDerWaalsContact O-CB 3.24Å; K273-I277 WeakPolarHBondContact O-CB 3.45Å; K273-I277 WeakPolarHBondContact O-CG1 3.49Å; K273-I277 PolarHBondContact O-N 2.91Å; I277-K282 HydrophobicContact CG2-CD 4.38Å; I277-K282 HydrophobicContact CG2-CG 3.92Å; I277-I290 HydrophobicContact CG2-CD1 4.31Å; I277-L292 HydrophobicContact CD1-CD1 3.96Å; I277-L292 HydrophobicContact CD1-CG 4.16Å; I277-L292 HydrophobicContact CG1-CD1 3.59Å; I277-L292 HydrophobicContact CG1-CG 3.99Å
278	T	88.8	Confident	89.7	Confident	65 Å²	65	75.7 Å²	75.7	40%	0.399	44%	0.436	S	S	.	.			trans	-73.5	160.6	178.6	65.6	0	0	0	0	111.9	F276 S280 L281 K282	F276-T278 VanDerWaalsContact C-N 3.25Å; F276-T278 PolarHBondContact O-N 3.29Å; T278-S280 PolarHBondContact O-N 2.84Å; T278-L281 PolarHBondContact O-N 2.98Å; T278-L281 VanDerWaalsContact O-N 3.13Å; T278-L281 PolarHBondContact OG1-N 3.01Å; T278-K282 WeakPolarHBondContact O-CG 3.21Å; T278-K282 PolarHBondContact O-N 3.38Å
279	D	88.9	Confident	89.5	Confident	124 Å²	124	77 Å²	77	66%	0.663	45%	0.451	S	S	*	.	H	α-helix	trans	-62.8	-32.8	175.7	-65.4	-29.5	0	0	0	112.2	K282 Q283	D279-K282 PolarHBondContact O-N 3.46Å; D279-K282 IonicContact OD1-NZ 3.95Å; D279-Q283 WeakPolarHBondContact O-CB 3.46Å; D279-Q283 PolarHBondContact O-N 2.81Å
280	S	88.4	Confident	89.4	Confident	89 Å²	89	76.3 Å²	76.3	62%	0.622	45%	0.447	S	S	*	.	H	α-helix	trans	-63.2	-41.3	173	-54	0	0	0	0	112.2	T278 Q283 A284	T278-S280 PolarHBondContact O-N 2.84Å; S280-Q283 PolarHBondContact O-N 3.23Å; S280-A284 WeakPolarHBondContact O-CB 3.18Å; S280-A284 PolarHBondContact O-N 3.43Å
281	L	88.3	Confident	89.4	Confident	32 Å²	32	75.4 Å²	75.4	17%	0.168	44%	0.441	C	S	.	.	H	α-helix	trans	-66.2	-44.3	176	-178.1	62.6	0	0	0	110.9	A201 L241 T278 Q283 A284 V285 I290	A201-L281 HydrophobicContact CB-CD2 4.33Å; L241-L281 HydrophobicContact CD2-CD1 4.28Å; T278-L281 PolarHBondContact O-N 2.98Å; T278-L281 VanDerWaalsContact O-N 3.13Å; T278-L281 PolarHBondContact OG1-N 3.01Å; L281-Q283 VanDerWaalsContact C-N 3.3Å; L281-Q283 PolarHBondContact O-N 3.09Å; L281-A284 PolarHBondContact O-N 3.32Å; L281-V285 HydrophobicContact CD1-CG2 4.08Å; L281-V285 HydrophobicContact CG-CG2 4.36Å; L281-V285 WeakPolarHBondContact O-CB 3.35Å; L281-V285 VanDerWaalsContact O-CG2 3.23Å; L281-V285 WeakPolarHBondContact O-CG2 3.48Å; L281-V285 PolarHBondContact O-N 2.82Å; L281-I290 HydrophobicContact CD2-CD1 3.85Å; L281-I290 HydrophobicContact CG-CD1 4.14Å
282	K	89.3	Confident	89.4	Confident	106 Å²	106	72.9 Å²	72.9	46%	0.461	42%	0.419	S	S	.	.	H	α-helix	trans	-59.4	-41.8	175.6	-67.5	175.8	-170.8	165.6	0	111.7	I277 T278 D279 V285 G286	I277-K282 HydrophobicContact CG2-CD 4.38Å; I277-K282 HydrophobicContact CG2-CG 3.92Å; T278-K282 WeakPolarHBondContact O-CG 3.21Å; T278-K282 PolarHBondContact O-N 3.38Å; D279-K282 PolarHBondContact O-N 3.46Å; D279-K282 IonicContact OD1-NZ 3.95Å; K282-V285 PolarHBondContact O-N 3.22Å; K282-G286 PolarHBondContact O-N 2.84Å
283	Q	90.1	Very high	89.5	Confident	165 Å²	165	75.2 Å²	75.2	77%	0.771	43%	0.431	S	S	*	.	H	α-helix	trans	-66.1	-39.1	177.9	-170.4	174.8	19.3	0	0	112.2	D279 S280 L281	D279-Q283 WeakPolarHBondContact O-CB 3.46Å; D279-Q283 PolarHBondContact O-N 2.81Å; S280-Q283 PolarHBondContact O-N 3.23Å; L281-Q283 VanDerWaalsContact C-N 3.3Å; L281-Q283 PolarHBondContact O-N 3.09Å
284	A	87.7	Confident	89.7	Confident	79 Å²	79	73 Å²	73	65%	0.653	42%	0.423	S	S	*	.	H	α-helix	trans	-68.6	-36.2	177.7	0	0	0	0	0	112.8	S280 L281	S280-A284 WeakPolarHBondContact O-CB 3.18Å; S280-A284 PolarHBondContact O-N 3.43Å; L281-A284 PolarHBondContact O-N 3.32Å
285	V	90.1	Very high	90.2	Very high	13 Å²	13	74 Å²	74	8%	0.079	41%	0.412	C	S	.	.	H	α-helix	trans	-80.3	-24.6	178.9	168.1	0	0	0	0	111.9	Y203 L241 L281 K282 H287 E288 I290	Y203-V285 HydrophobicContact CD1-CG1 4.3Å; Y203-V285 HydrophobicContact CE1-CB 4.29Å; Y203-V285 HydrophobicContact CE1-CG1 3.74Å; Y203-V285 HydrophobicContact CE1-CG2 4.14Å; L241-V285 HydrophobicContact CD1-CG2 3.94Å; L241-V285 HydrophobicContact CD2-CG2 3.77Å; L281-V285 HydrophobicContact CD1-CG2 4.08Å; L281-V285 HydrophobicContact CG-CG2 4.36Å; L281-V285 WeakPolarHBondContact O-CB 3.35Å; L281-V285 VanDerWaalsContact O-CG2 3.23Å; L281-V285 WeakPolarHBondContact O-CG2 3.48Å; L281-V285 PolarHBondContact O-N 2.82Å; K282-V285 PolarHBondContact O-N 3.22Å; V285-H287 PolarHBondContact O-N 2.97Å; V285-E288 HydrophobicContact CG1-CB 4.14Å; V285-E288 WeakPolarHBondContact CG1-O 3.43Å; V285-I290 HydrophobicContact CB-CG2 4.37Å; V285-I290 HydrophobicContact CG1-CG2 3.45Å; V285-I290 VanDerWaalsContact CG1-CG2 3.45Å; V285-I290 HydrophobicContact CG2-CD1 4.46Å; V285-I290 HydrophobicContact CG2-CG2 3.96Å
286	G	88.2	Confident	90.5	Very high	47 Å²	47	69.5 Å²	69.5	49%	0.485	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	-126.1	-178.3	0	0	0	0	0	112.1	K282	K282-G286 PolarHBondContact O-N 2.84Å
287	H	85.9	Confident	90.6	Very high	207 Å²	207	70.7 Å²	70.7	96%	0.958	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.5	-177.8	-70.9	-70.6	0	0	0	114	V285	V285-H287 PolarHBondContact O-N 2.97Å
288	E	90.8	Very high	90.7	Very high	68 Å²	68	74.2 Å²	74.2	32%	0.318	41%	0.408	S	S	.	.	S	Bend	trans	-74.8	138.5	-179.6	-65.4	-169.2	171.1	0	0	111.4	Y203 R239 V285	Y203-E288 HydrophobicContact CD1-CB 3.91Å; Y203-E288 WeakPolarHBondContact CD1-OE2 3.34Å; Y203-E288 HydrophobicContact CE1-CB 4.05Å; Y203-E288 WeakPolarHBondContact CE1-OE2 3.02Å; R239-E288 IonicContact CZ-OE1 2.61Å; R239-E288 IonicContact CZ-OE2 3.98Å; R239-E288 VanDerWaalsContact CZ-OE2 3.26Å; R239-E288 IonicContact NH1-OE1 3.83Å; R239-E288 PolarHBondContact NH1-OE1 3.5Å; R239-E288 IonicContact NH1-OE2 2.82Å; R239-E288 PolarHBondContact NH1-OE2 3.31Å; R239-E288 VanDerWaalsContact NH2-CD 3.33Å; R239-E288 IonicContact NH2-OE1 3.71Å; R239-E288 PolarHBondContact NH2-OE1 2.94Å; R239-E288 IonicContact NH2-OE2 3.03Å; R239-E288 PolarHBondContact NH2-OE2 2.91Å; V285-E288 HydrophobicContact CG1-CB 4.14Å; V285-E288 WeakPolarHBondContact CG1-O 3.43Å
289	A	90.3	Very high	90.8	Very high	51 Å²	51	77.8 Å²	77.8	42%	0.421	42%	0.421	S	S	.	.			trans	-72.5	134.2	176.3	0	0	0	0	0	110.5	C204	C204-A289 HydrophobicContact CB-CB 4.15Å; C204-A289 WeakPolarHBondContact CB-O 2.79Å; C204-A289 PolarHBondContact N-O 2.71Å
290	I	92.3	Very high	91.1	Very high	35 Å²	35	74.2 Å²	74.2	18%	0.179	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.2	174	57	164.3	0	0	0	111.1	E202 Y203 L241 I277 L281 V285	E202-I290 CarbonylContact O-C 3.58Å; E202-I290 VanDerWaalsContact O-CA 3.23Å; E202-I290 WeakPolarHBondContact O-CA 3.34Å; E202-I290 WeakPolarHBondContact O-CB 3.44Å; Y203-I290 HydrophobicContact CD1-CG2 3.89Å; Y203-I290 HydrophobicContact CE1-CG2 4.28Å; Y203-I290 HydrophobicContact CG-CG2 4.37Å; L241-I290 HydrophobicContact CD1-CB 4.41Å; L241-I290 HydrophobicContact CD1-CG2 3.62Å; I277-I290 HydrophobicContact CG2-CD1 4.31Å; L281-I290 HydrophobicContact CD2-CD1 3.85Å; L281-I290 HydrophobicContact CG-CD1 4.14Å; V285-I290 HydrophobicContact CB-CG2 4.37Å; V285-I290 HydrophobicContact CG1-CG2 3.45Å; V285-I290 VanDerWaalsContact CG1-CG2 3.45Å; V285-I290 HydrophobicContact CG2-CD1 4.46Å; V285-I290 HydrophobicContact CG2-CG2 3.96Å
291	K	91.1	Very high	91.4	Very high	91 Å²	91	71.3 Å²	71.3	40%	0.396	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.7	171.2	63.3	178.7	-177.6	174.5	0	109.7	A201 E202 L293	A201-K291 WeakPolarHBondContact CA-O 3.42Å; E202-K291 HydrophobicContact CB-CG 4.15Å; E202-K291 PolarHBondContact N-O 3.29Å; E202-K291 PolarHBondContact O-N 2.92Å; E202-K291 WeakPolarHBondContact OE2-CE 3.48Å; E202-K291 IonicContact OE2-NZ 3.65Å; E202-K291 PolarHBondContact OE2-NZ 3.28Å; K291-L293 HydrophobicContact CD-CD2 4.3Å
292	L	93.9	Very high	91.6	Very high	14 Å²	14	73 Å²	73	7%	0.073	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.1	167.8	-75.9	179	0	0	0	109.8	V199 R200 A201 L269 K273 F276 I277	V199-L292 HydrophobicContact CG1-CD2 4.13Å; R200-L292 CarbonylContact O-C 3.56Å; R200-L292 WeakPolarHBondContact O-CA 3.26Å; A201-L292 HydrophobicContact CB-CD2 3.89Å; L269-L292 HydrophobicContact CD1-CB 3.9Å; L269-L292 WeakPolarHBondContact CD1-O 3.45Å; K273-L292 HydrophobicContact CB-CD1 4.39Å; K273-L292 HydrophobicContact CG-CD1 3.99Å; F276-L292 HydrophobicContact CB-CD1 3.95Å; F276-L292 HydrophobicContact CB-CD2 4.4Å; I277-L292 HydrophobicContact CD1-CD1 3.96Å; I277-L292 HydrophobicContact CD1-CG 4.16Å; I277-L292 HydrophobicContact CG1-CD1 3.59Å; I277-L292 HydrophobicContact CG1-CG 3.99Å
293	L	94.1	Very high	91.8	Very high	72 Å²	72	73.2 Å²	73.2	38%	0.377	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.5	169.9	-58.8	-177.6	0	0	0	108.4	V199 R200 E202 K291	V199-L293 CarbonylContact C-O 3.52Å; V199-L293 WeakPolarHBondContact CA-O 3.32Å; R200-L293 HydrophobicContact CB-CB 4.45Å; R200-L293 PolarHBondContact N-O 3.36Å; R200-L293 PolarHBondContact O-N 3.49Å; E202-L293 HydrophobicContact CG-CD1 4.19Å; E202-L293 WeakPolarHBondContact OE1-CD1 3.39Å; E202-L293 VanDerWaalsContact OE2-CD1 3.3Å; E202-L293 WeakPolarHBondContact OE2-CD1 3.18Å; K291-L293 HydrophobicContact CD-CD2 4.3Å
294	V	95.6	Very high	92	Very high	23 Å²	23	65.5 Å²	65.5	14%	0.139	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.8	178.3	171.2	0	0	0	0	107.7	L197 R198 V199 Y263 L268 L269 L272	L197-V294 HydrophobicContact CD1-CG1 3.59Å; R198-V294 WeakPolarHBondContact O-CA 3.31Å; V199-V294 HydrophobicContact CG1-CG2 4.38Å; V199-V294 HydrophobicContact CG2-CG2 4.4Å; Y263-V294 HydrophobicContact CD2-CG1 4.04Å; Y263-V294 HydrophobicContact CE2-CG1 4.06Å; L268-V294 HydrophobicContact CD2-CG1 4.1Å; L268-V294 HydrophobicContact CG-CG1 4.45Å; L269-V294 HydrophobicContact CB-CG2 4.38Å; L269-V294 HydrophobicContact CD1-CB 4.25Å; L269-V294 HydrophobicContact CD1-CG2 3.55Å; L272-V294 HydrophobicContact CD1-CG1 4.45Å; L272-V294 HydrophobicContact CD1-CG2 3.94Å
295	N	95.3	Very high	92.3	Very high	93 Å²	93	63.9 Å²	63.9	50%	0.497	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.8	178.4	-171.1	77.5	0	0	0	109.7	R198	R198-N295 HydrophobicContact CB-CB 4.43Å; R198-N295 PolarHBondContact N-O 3.19Å; R198-N295 PolarHBondContact O-N 3.03Å
296	V	95.3	Very high	92.4	Very high	6 Å²	6	68.9 Å²	68.9	4%	0.036	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.6	172	-179.3	0	0	0	0	106.8	I195 L197 F259 W260 Y263 L268 E298	I195-V296 HydrophobicContact CG2-CG1 3.58Å; L197-V296 HydrophobicContact CD1-CG2 3.72Å; F259-V296 HydrophobicContact CE1-CG1 3.91Å; F259-V296 HydrophobicContact CE1-CG2 3.96Å; F259-V296 HydrophobicContact CZ-CG2 3.92Å; W260-V296 HydrophobicContact CE3-CG1 4.12Å; W260-V296 HydrophobicContact CZ3-CB 4.1Å; W260-V296 HydrophobicContact CZ3-CG1 3.8Å; Y263-V296 HydrophobicContact CD1-CB 4Å; Y263-V296 HydrophobicContact CD1-CG2 4.22Å; Y263-V296 HydrophobicContact CD2-CB 4.24Å; Y263-V296 HydrophobicContact CD2-CG2 3.68Å; Y263-V296 HydrophobicContact CE1-CB 3.96Å; Y263-V296 HydrophobicContact CE1-CG2 4.45Å; Y263-V296 HydrophobicContact CE2-CB 4.22Å; Y263-V296 HydrophobicContact CE2-CG2 3.96Å; Y263-V296 HydrophobicContact CG-CB 4.14Å; Y263-V296 HydrophobicContact CG-CG2 3.82Å; L268-V296 HydrophobicContact CD2-CG2 4.37Å; V296-E298 PolarHBondContact O-N 3.29Å
297	D	90.7	Very high	92.5	Very high	64 Å²	64	71 Å²	71	34%	0.342	35%	0.35	S	S	.	.			trans	-71.3	121.6	176.2	-161.3	-36.4	0	0	0	110.4	E299 D300 Y301	D297-E299 VanDerWaalsContact C-N 3.34Å; D297-E299 WeakPolarHBondContact OD1-CB 3.13Å; D297-E299 PolarHBondContact OD1-N 3.27Å; D297-D300 HydrophobicContact CB-CB 3.97Å; D297-Y301 PolarHBondContact O-N 2.91Å
298	E	90.1	Very high	92.8	Very high	114 Å²	114	61.5 Å²	61.5	53%	0.533	31%	0.306	S	S	.	.	H	α-helix	trans	-69.8	-33.9	-179.9	-174.5	167	-165.5	0	0	111.3	W260 V296 Y301 E302	W260-E298 HydrophobicContact CH2-CB 3.7Å; W260-E298 HydrophobicContact CH2-CG 3.76Å; W260-E298 HydrophobicContact CZ2-CB 4.31Å; W260-E298 HydrophobicContact CZ2-CG 3.84Å; V296-E298 PolarHBondContact O-N 3.29Å; E298-Y301 WeakPolarHBondContact O-CB 3.47Å; E298-Y301 PolarHBondContact O-N 3.48Å; E298-E302 PolarHBondContact O-N 2.98Å
299	E	91.7	Very high	92.7	Very high	141 Å²	141	58.8 Å²	58.8	66%	0.659	29%	0.294	S	S	*	.	H	α-helix	trans	-66.9	-42	178.7	-62.8	-178.9	-174.6	0	0	110.5	D297 Y301 E302 L303	D297-E299 VanDerWaalsContact C-N 3.34Å; D297-E299 WeakPolarHBondContact OD1-CB 3.13Å; D297-E299 PolarHBondContact OD1-N 3.27Å; E299-Y301 VanDerWaalsContact C-N 3.28Å; E299-Y301 PolarHBondContact O-N 3.12Å; E299-E302 PolarHBondContact O-N 3.02Å; E299-L303 WeakPolarHBondContact O-CB 3.28Å; E299-L303 VanDerWaalsContact O-CG 3.28Å; E299-L303 WeakPolarHBondContact O-CG 3.31Å; E299-L303 PolarHBondContact O-N 3.39Å
300	D	93.9	Very high	92.5	Very high	49 Å²	49	64.2 Å²	64.2	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-58	-43.1	173.9	-79.6	-10.2	0	0	0	110.9	I195 R196 D297 G304	I195-D300 HydrophobicContact CD1-CB 3.83Å; I195-D300 VanDerWaalsContact CD1-O 3.23Å; I195-D300 WeakPolarHBondContact CD1-O 3.4Å; R196-D300 WeakPolarHBondContact CB-OD2 3.4Å; R196-D300 PolarHBondContact N-OD2 2.84Å; R196-D300 VanDerWaalsContact N-OD2 3.15Å; D297-D300 HydrophobicContact CB-CB 3.97Å; D300-G304 WeakPolarHBondContact O-CA 3.28Å; D300-G304 PolarHBondContact O-N 2.88Å
301	Y	94.8	Very high	92	Very high	27 Å²	27	63.1 Å²	63.1	11%	0.106	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-52.4	176.6	167.8	-105.6	0	0	0	111.6	L256 D257 W260 D297 E298 E299 L303 G304 R305	L256-Y301 HydrophobicContact CD1-CD2 3.91Å; L256-Y301 HydrophobicContact CD1-CE2 4.46Å; L256-Y301 HydrophobicContact CD2-CD2 4.15Å; L256-Y301 HydrophobicContact CD2-CE2 4.3Å; L256-Y301 HydrophobicContact CG-CD2 3.8Å; L256-Y301 HydrophobicContact CG-CE2 3.9Å; D257-Y301 WeakPolarHBondContact OD1-CE2 3.46Å; D257-Y301 PolarHBondContact OD1-OH 2.95Å; W260-Y301 HydrophobicContact CB-CD2 3.57Å; W260-Y301 HydrophobicContact CB-CE1 4.39Å; W260-Y301 HydrophobicContact CB-CE2 3.31Å; W260-Y301 HydrophobicContact CB-CG 4.22Å; W260-Y301 AromaticContact CD1-CD1 3.9Å; W260-Y301 AromaticContact CD1-CE1 3.37Å; W260-Y301 AromaticContact CD1-CE2 3.87Å; W260-Y301 AromaticContact CD1-CZ 3.34Å; W260-Y301 AromaticContact CD2-CD1 3.57Å; W260-Y301 HydrophobicContact CD2-CD1 3.57Å; W260-Y301 AromaticContact CD2-CD2 3.85Å; W260-Y301 HydrophobicContact CD2-CD2 3.85Å; W260-Y301 AromaticContact CD2-CE1 3.89Å; W260-Y301 HydrophobicContact CD2-CE1 3.89Å; W260-Y301 HydrophobicContact CD2-CE2 4.17Å; W260-Y301 AromaticContact CD2-CG 3.54Å; W260-Y301 HydrophobicContact CD2-CG 3.54Å; W260-Y301 AromaticContact CE2-CD1 3.56Å; W260-Y301 AromaticContact CE2-CE1 3.79Å; W260-Y301 HydrophobicContact CE3-CD1 4.06Å; W260-Y301 HydrophobicContact CE3-CD2 4.06Å; W260-Y301 AromaticContact CE3-CG 3.65Å; W260-Y301 HydrophobicContact CE3-CG 3.65Å; W260-Y301 AromaticContact CG-CD1 3.81Å; W260-Y301 HydrophobicContact CG-CD1 3.81Å; W260-Y301 AromaticContact CG-CD2 3.64Å; W260-Y301 HydrophobicContact CG-CD2 3.64Å; W260-Y301 AromaticContact CG-CE1 3.64Å; W260-Y301 HydrophobicContact CG-CE1 3.64Å; W260-Y301 AromaticContact CG-CE2 3.49Å; W260-Y301 HydrophobicContact CG-CE2 3.49Å; W260-Y301 VanDerWaalsContact CG-CE2 3.49Å; W260-Y301 AromaticContact CG-CG 3.8Å; W260-Y301 HydrophobicContact CG-CG 3.8Å; W260-Y301 AromaticContact CG-CZ 3.47Å; W260-Y301 VanDerWaalsContact CG-CZ 3.47Å; W260-Y301 HydrophobicContact CZ2-CD1 4.07Å; W260-Y301 HydrophobicContact CZ3-CG 4.24Å; W260-Y301 AromaticContact NE1-CD1 3.74Å; W260-Y301 AromaticContact NE1-CE1 3.44Å; W260-Y301 AromaticContact NE1-CZ 3.95Å; D297-Y301 PolarHBondContact O-N 2.91Å; E298-Y301 WeakPolarHBondContact O-CB 3.47Å; E298-Y301 PolarHBondContact O-N 3.48Å; E299-Y301 VanDerWaalsContact C-N 3.28Å; E299-Y301 PolarHBondContact O-N 3.12Å; Y301-L303 PolarHBondContact O-N 3.09Å; Y301-G304 PolarHBondContact O-N 3.42Å; Y301-R305 HydrophobicContact CE2-CB 4.46Å; Y301-R305 WeakPolarHBondContact O-CB 3.5Å; Y301-R305 PolarHBondContact O-N 2.74Å; Y301-R305 WeakPolarHBondContact OH-CD 3.34Å; Y301-R305 PolarHBondContact OH-NE 2.83Å
302	E	93.6	Very high	91.6	Very high	67 Å²	67	61.7 Å²	61.7	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-62.3	-43.6	-177.1	-71.3	-162.9	140.5	0	0	111.8	R107 E298 E299 R305 Q306	R107-E302 IonicContact CZ-OE1 3.62Å; R107-E302 IonicContact NH1-OE1 3.33Å; R107-E302 PolarHBondContact NH1-OE1 2.77Å; R107-E302 IonicContact NH2-OE1 3.94Å; E298-E302 PolarHBondContact O-N 2.98Å; E299-E302 PolarHBondContact O-N 3.02Å; E302-R305 PolarHBondContact O-N 2.76Å; E302-Q306 VanDerWaalsContact O-CG 3.3Å; E302-Q306 WeakPolarHBondContact O-CG 3.44Å; E302-Q306 PolarHBondContact O-N 2.89Å
303	L	93.3	Very high	90.9	Very high	111 Å²	111	65.4 Å²	65.4	58%	0.581	31%	0.313	S	S	*	.	H	α-helix	trans	-65.6	-44.2	176.3	-70	174.6	0	0	0	111.7	E299 Y301 R305 Q306 K307	E299-L303 WeakPolarHBondContact O-CB 3.28Å; E299-L303 VanDerWaalsContact O-CG 3.28Å; E299-L303 WeakPolarHBondContact O-CG 3.31Å; E299-L303 PolarHBondContact O-N 3.39Å; Y301-L303 PolarHBondContact O-N 3.09Å; L303-R305 VanDerWaalsContact C-N 3.33Å; L303-R305 PolarHBondContact O-N 3.31Å; L303-Q306 PolarHBondContact O-N 3.38Å; L303-K307 WeakPolarHBondContact O-CB 3.32Å; L303-K307 PolarHBondContact O-N 3.49Å
304	G	93.9	Very high	90	Very high	4 Å²	4	67.1 Å²	67.1	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-43.8	176.9	0	0	0	0	0	112	D300 Y301 K307 L308	D300-G304 WeakPolarHBondContact O-CA 3.28Å; D300-G304 PolarHBondContact O-N 2.88Å; Y301-G304 PolarHBondContact O-N 3.42Å; G304-K307 PolarHBondContact O-N 2.9Å; G304-L308 WeakPolarHBondContact O-CB 3.48Å; G304-L308 WeakPolarHBondContact O-CG 3.29Å; G304-L308 PolarHBondContact O-N 3.24Å
305	R	93.6	Very high	88.7	Confident	44 Å²	44	73.5 Å²	73.5	17%	0.166	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-49.7	177.8	-164	-172.8	-165.6	-105.5	-10.6	111.6	D112 L253 L256 D257 Y301 E302 L303 K307 L308 L309	D112-R305 VanDerWaalsContact CG-NH2 3.25Å; D112-R305 IonicContact OD1-CZ 2.93Å; D112-R305 IonicContact OD1-NH1 2.93Å; D112-R305 PolarHBondContact OD1-NH1 3.36Å; D112-R305 IonicContact OD1-NH2 3.37Å; D112-R305 PolarHBondContact OD1-NH2 3.38Å; D112-R305 IonicContact OD2-CZ 3.61Å; D112-R305 IonicContact OD2-NH1 3.86Å; D112-R305 IonicContact OD2-NH2 3.85Å; D112-R305 PolarHBondContact OD2-NH2 3.44Å; L253-R305 HydrophobicContact CD1-CB 4.38Å; L253-R305 HydrophobicContact CD1-CG 3.54Å; L256-R305 HydrophobicContact CD2-CB 4.04Å; D257-R305 IonicContact OD1-CZ 3.98Å; D257-R305 IonicContact OD1-NE 2.7Å; D257-R305 PolarHBondContact OD1-NE 3.32Å; D257-R305 IonicContact OD1-NH2 3.04Å; D257-R305 IonicContact OD2-CZ 2.62Å; D257-R305 IonicContact OD2-NE 3.26Å; D257-R305 PolarHBondContact OD2-NE 3.48Å; D257-R305 IonicContact OD2-NH2 2.85Å; D257-R305 PolarHBondContact OD2-NH2 2.67Å; Y301-R305 HydrophobicContact CE2-CB 4.46Å; Y301-R305 WeakPolarHBondContact O-CB 3.5Å; Y301-R305 PolarHBondContact O-N 2.74Å; Y301-R305 WeakPolarHBondContact OH-CD 3.34Å; Y301-R305 PolarHBondContact OH-NE 2.83Å; E302-R305 PolarHBondContact O-N 2.76Å; L303-R305 VanDerWaalsContact C-N 3.33Å; L303-R305 PolarHBondContact O-N 3.31Å; R305-K307 VanDerWaalsContact C-N 3.32Å; R305-K307 PolarHBondContact O-N 3.23Å; R305-L308 PolarHBondContact O-N 3.45Å; R305-L309 WeakPolarHBondContact O-CB 3.09Å; R305-L309 PolarHBondContact O-N 2.81Å
306	Q	91.6	Very high	87	Confident	119 Å²	119	70.9 Å²	70.9	56%	0.556	34%	0.341	S	S	*	.	H	α-helix	trans	-60.3	-41.9	177.1	-72.7	177.1	26.4	0	0	112.1	E302 L303 R310	E302-Q306 VanDerWaalsContact O-CG 3.3Å; E302-Q306 WeakPolarHBondContact O-CG 3.44Å; E302-Q306 PolarHBondContact O-N 2.89Å; L303-Q306 PolarHBondContact O-N 3.38Å; Q306-R310 WeakPolarHBondContact O-CB 3.13Å; Q306-R310 PolarHBondContact O-N 3.38Å
307	K	91.6	Very high	85	Confident	92 Å²	92	76.4 Å²	76.4	40%	0.4	37%	0.37	S	S	.	.	H	α-helix	trans	-62.5	-52.1	177.9	-174.9	-177.6	-176.6	-175.2	0	111.2	T192 L303 G304 R305 L309 R310 N311	T192-K307 WeakPolarHBondContact O-CE 3.41Å; T192-K307 PolarHBondContact O-NZ 2.69Å; L303-K307 WeakPolarHBondContact O-CB 3.32Å; L303-K307 PolarHBondContact O-N 3.49Å; G304-K307 PolarHBondContact O-N 2.9Å; R305-K307 VanDerWaalsContact C-N 3.32Å; R305-K307 PolarHBondContact O-N 3.23Å; K307-L309 VanDerWaalsContact C-N 3.35Å; K307-L309 PolarHBondContact O-N 3.13Å; K307-R310 PolarHBondContact O-N 2.95Å; K307-N311 PolarHBondContact O-N 3.29Å; K307-N311 VanDerWaalsContact O-N 3.12Å; K307-N311 PolarHBondContact O-ND2 2.78Å
308	L	91.2	Very high	83.1	Confident	6 Å²	6	82.1 Å²	82.1	3%	0.031	41%	0.411	C	S	.	.	H	α-helix	trans	-65.8	-37.2	-179.1	-67.8	-178.5	0	0	0	112.2	F250 L253 L256 G304 R305 N311 L312	F250-L308 HydrophobicContact CB-CD1 4.23Å; L253-L308 HydrophobicContact CB-CB 4.19Å; L253-L308 HydrophobicContact CD1-CB 4.26Å; L256-L308 HydrophobicContact CB-CD1 4.31Å; L256-L308 HydrophobicContact CD2-CD1 4.03Å; G304-L308 WeakPolarHBondContact O-CB 3.48Å; G304-L308 WeakPolarHBondContact O-CG 3.29Å; G304-L308 PolarHBondContact O-N 3.24Å; R305-L308 PolarHBondContact O-N 3.45Å; L308-N311 WeakPolarHBondContact O-CB 3.16Å; L308-N311 PolarHBondContact O-N 3.36Å; L308-L312 PolarHBondContact O-N 3.32Å
309	L	89.1	Confident	82.8	Confident	12 Å²	12	80.6 Å²	80.6	6%	0.063	40%	0.404	C	S	.	.	H	α-helix	trans	-62.5	-46.8	174.5	-178.4	69.4	0	0	0	111.9	L113 V114 L253 R305 K307 N311 L312 M313	L113-L309 HydrophobicContact CB-CD2 3.52Å; L113-L309 HydrophobicContact CD1-CD2 3.63Å; L113-L309 HydrophobicContact CG-CD2 4.24Å; V114-L309 HydrophobicContact CG2-CD1 4.05Å; L253-L309 HydrophobicContact CD2-CB 4.09Å; L253-L309 HydrophobicContact CD2-CD1 3.78Å; R305-L309 WeakPolarHBondContact O-CB 3.09Å; R305-L309 PolarHBondContact O-N 2.81Å; K307-L309 VanDerWaalsContact C-N 3.35Å; K307-L309 PolarHBondContact O-N 3.13Å; L309-N311 PolarHBondContact O-N 3.49Å; L309-L312 WeakPolarHBondContact O-CB 3.2Å; L309-L312 PolarHBondContact O-N 3.34Å; L309-M313 WeakPolarHBondContact O-CG 3.47Å; L309-M313 PolarHBondContact O-N 3.32Å
310	R	85.9	Confident	82.3	Confident	164 Å²	164	77.4 Å²	77.4	62%	0.619	39%	0.391	S	S	*	.	H	α-helix	trans	-57.6	-40.1	175.6	-177.9	-179.4	-69.6	153.4	0.4	111.2	Q306 K307 M313 L314	Q306-R310 WeakPolarHBondContact O-CB 3.13Å; Q306-R310 PolarHBondContact O-N 3.38Å; K307-R310 PolarHBondContact O-N 2.95Å; R310-M313 PolarHBondContact O-N 3.21Å; R310-L314 HydrophobicContact CG-CD1 4.03Å; R310-L314 HydrophobicContact CG-CG 4.43Å; R310-L314 WeakPolarHBondContact O-CB 3.29Å; R310-L314 VanDerWaalsContact O-CG 3.29Å; R310-L314 WeakPolarHBondContact O-CG 3.3Å; R310-L314 PolarHBondContact O-N 2.97Å
311	N	82.8	Confident	81.6	Confident	12 Å²	12	78.9 Å²	78.9	6%	0.064	40%	0.398	C	S	.	.	H	α-helix	trans	-66.7	-40.8	179	-63.9	-28.4	0	0	0	112.7	Q191 K307 L308 L309 M313 L314 Q315	Q191-N311 WeakPolarHBondContact CB-ND2 3.34Å; Q191-N311 PolarHBondContact NE2-OD1 3.16Å; Q191-N311 PolarHBondContact OE1-ND2 3.15Å; Q191-N311 PolarHBondContact OE1-OD1 3.08Å; K307-N311 PolarHBondContact O-N 3.29Å; K307-N311 VanDerWaalsContact O-N 3.12Å; K307-N311 PolarHBondContact O-ND2 2.78Å; L308-N311 WeakPolarHBondContact O-CB 3.16Å; L308-N311 PolarHBondContact O-N 3.36Å; L309-N311 PolarHBondContact O-N 3.49Å; N311-M313 VanDerWaalsContact C-N 3.31Å; N311-M313 PolarHBondContact O-N 3.11Å; N311-L314 PolarHBondContact O-N 3.29Å; N311-Q315 WeakPolarHBondContact O-CB 3.47Å; N311-Q315 VanDerWaalsContact O-CG 3.3Å; N311-Q315 WeakPolarHBondContact O-CG 3.38Å; N311-Q315 PolarHBondContact O-N 2.73Å
312	L	81.3	Confident	80.9	Confident	62 Å²	62	82 Å²	82	33%	0.325	42%	0.415	S	S	.	.	H	α-helix	trans	-59.9	-45.1	174.9	-173.4	67.2	0	0	0	110.7	Y117 L308 L309 L314 Q315 A316	Y117-L312 HydrophobicContact CD1-CD2 4.08Å; Y117-L312 HydrophobicContact CE1-CD2 3.82Å; Y117-L312 HydrophobicContact CE1-CG 4.18Å; L308-L312 PolarHBondContact O-N 3.32Å; L309-L312 WeakPolarHBondContact O-CB 3.2Å; L309-L312 PolarHBondContact O-N 3.34Å; L312-L314 PolarHBondContact O-N 3.33Å; L312-Q315 PolarHBondContact O-N 3.1Å; L312-A316 WeakPolarHBondContact O-CB 3.01Å; L312-A316 PolarHBondContact O-N 3.09Å; L312-A316 VanDerWaalsContact O-N 3.13Å
313	M	80.1	Confident	80.1	Confident	92 Å²	92	82.9 Å²	82.9	45%	0.453	42%	0.422	S	S	.	.	H	α-helix	trans	-65	-39	177.7	-64.7	-178.5	81.2	0	0	112.7	Y117 L309 R310 N311 A316	Y117-M313 HydrophobicContact CD2-CG 4.37Å; L309-M313 WeakPolarHBondContact O-CG 3.47Å; L309-M313 PolarHBondContact O-N 3.32Å; R310-M313 PolarHBondContact O-N 3.21Å; N311-M313 VanDerWaalsContact C-N 3.31Å; N311-M313 PolarHBondContact O-N 3.11Å; M313-A316 PolarHBondContact O-N 3.43Å
314	L	75.7	Confident	79.2	Confident	107 Å²	107	81.1 Å²	81.1	56%	0.56	41%	0.411	S	S	*	.	H	α-helix	trans	-68.7	-32.8	176.6	-72.4	172.2	0	0	0	112.8	R310 N311 L312 A316	R310-L314 HydrophobicContact CG-CD1 4.03Å; R310-L314 HydrophobicContact CG-CG 4.43Å; R310-L314 WeakPolarHBondContact O-CB 3.29Å; R310-L314 VanDerWaalsContact O-CG 3.29Å; R310-L314 WeakPolarHBondContact O-CG 3.3Å; R310-L314 PolarHBondContact O-N 2.97Å; N311-L314 PolarHBondContact O-N 3.29Å; L312-L314 PolarHBondContact O-N 3.33Å; L314-A316 VanDerWaalsContact C-N 3.32Å
315	Q	66.4	Low	78.1	Confident	157 Å²	157	86.6 Å²	86.6	73%	0.734	44%	0.438	S	S	*	.	H	α-helix	trans	-76.1	-19.7	175.5	-72.1	176.6	11.3	0	0	113.2	N311 L312	N311-Q315 WeakPolarHBondContact O-CB 3.47Å; N311-Q315 VanDerWaalsContact O-CG 3.3Å; N311-Q315 WeakPolarHBondContact O-CG 3.38Å; N311-Q315 PolarHBondContact O-N 2.73Å; L312-Q315 PolarHBondContact O-N 3.1Å
316	A	61.4	Low	76.9	Confident	39 Å²	39	89.8 Å²	89.8	32%	0.322	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.9	179.1	0	0	0	0	0	114.1	Y117 L312 M313 L314	Y117-A316 HydrophobicContact CE2-CB 3.97Å; Y117-A316 WeakPolarHBondContact OH-CB 3.32Å; L312-A316 WeakPolarHBondContact O-CB 3.01Å; L312-A316 PolarHBondContact O-N 3.09Å; L312-A316 VanDerWaalsContact O-N 3.13Å; M313-A316 PolarHBondContact O-N 3.43Å; L314-A316 VanDerWaalsContact C-N 3.32Å
317	L	53.4	Low	75.7	Confident	122 Å²	122	87.4 Å²	87.4	64%	0.639	45%	0.45	S	S	*	.			trans	-84.1	126.7	172.8	-83	148.4	0	0	0	109.5
318	P	49.9	Very low	74.3	Confident	184 Å²	184	87 Å²	87	100%	1.195	46%	0.455	S	S	*	.			trans	-68.4	0	-174.1	28.4	-34.9	0	0	0	114.4

Retrieved 318 of 318 residues in 1075 ms (Link to these results)

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