A0A077Z4Z2_TRITR Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A077Z4Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	44.1	Very low	242 Å²	242	142.2 Å²	142.2	100%	1.192	75%	0.752	S	S	*	*				0	113.6	0	-74.5	167	171.4	0	0	109.2
2	N	34.8	Very low	46.8	Very low	139 Å²	139	133.8 Å²	133.8	74%	0.743	71%	0.713	S	S	*	*			trans	53.4	88.6	164.8	-62.8	-9.1	0	0	0	121.2
3	S	37.7	Very low	48.9	Very low	118 Å²	118	125.5 Å²	125.5	83%	0.825	67%	0.67	S	S	*	*			trans	-113.9	25.4	150.8	77.2	0	0	0	0	113.1	W5	S3-W5 PolarHBondContact O-N 3.43Å; S3-W5 VanDerWaalsContact O-N 3.11Å
4	S	37.2	Very low	50.8	Low	95 Å²	95	123.4 Å²	123.4	66%	0.664	67%	0.666	S	S	*	*			trans	-74.2	9.7	-180	56.4	0	0	0	0	115.2	A6	S4-A6 PolarHBondContact O-N 3.09Å; S4-A6 VanDerWaalsContact O-N 3.09Å
5	W	34.4	Very low	52.2	Low	236 Å²	236	120.1 Å²	120.1	89%	0.894	65%	0.645	S	S	*	*			trans	-82.6	33.6	171.1	-66.3	89	0	0	0	112.8	S3 K7	S3-W5 PolarHBondContact O-N 3.43Å; S3-W5 VanDerWaalsContact O-N 3.11Å; W5-K7 VanDerWaalsContact C-N 3.3Å; W5-K7 PolarHBondContact O-N 3Å
6	A	35.5	Very low	53.3	Low	86 Å²	86	112.7 Å²	112.7	71%	0.711	61%	0.605	S	S	*	*			trans	-61.8	92.4	173.2	0	0	0	0	0	109.6	S4 K8	S4-A6 PolarHBondContact O-N 3.09Å; S4-A6 VanDerWaalsContact O-N 3.09Å; A6-K8 PolarHBondContact O-N 2.84Å
7	K	41.6	Very low	54	Low	141 Å²	141	111.3 Å²	111.3	61%	0.613	60%	0.597	S	S	*	*			trans	24.9	85.1	156.2	-70.2	175	176.6	173.9	0	113	W5 E9 G108	W5-K7 VanDerWaalsContact C-N 3.3Å; W5-K7 PolarHBondContact O-N 3Å; K7-E9 VanDerWaalsContact C-N 3.35Å; K7-E9 PolarHBondContact O-N 3.3Å; K7-G108 PolarHBondContact NZ-O 3.12Å
8	K	41.7	Very low	54.8	Low	207 Å²	207	111.3 Å²	111.3	90%	0.9	60%	0.602	S	S	*	*			trans	-48.2	105.8	159.5	-148.4	175.3	-169.2	177.3	0	105.9	A6 E10	A6-K8 PolarHBondContact O-N 2.84Å; K8-E10 PolarHBondContact O-N 3.05Å
9	E	51.8	Low	55.6	Low	130 Å²	130	106.3 Å²	106.3	61%	0.607	58%	0.575	S	S	*	*			trans	-57.7	110.5	-179.1	-72.4	-168.5	141.5	0	0	106.5	K7 G11 P33	K7-E9 VanDerWaalsContact C-N 3.35Å; K7-E9 PolarHBondContact O-N 3.3Å; E9-G11 PolarHBondContact O-N 3.46Å; E9-P33 HydrophobicContact CB-CG 4.1Å
10	E	64.5	Low	56	Low	112 Å²	112	110.9 Å²	110.9	52%	0.523	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-50.5	117.1	173.8	-69.4	179.3	166.4	0	0	106.9	K8 P33 K37	K8-E10 PolarHBondContact O-N 3.05Å; E10-P33 WeakPolarHBondContact O-CB 3.24Å; E10-P33 VanDerWaalsContact O-CG 3.27Å; E10-P33 WeakPolarHBondContact O-CG 2.9Å; E10-K37 IonicContact OE1-NZ 3.91Å; E10-K37 IonicContact OE2-NZ 2.66Å; E10-K37 PolarHBondContact OE2-NZ 3.16Å
11	G	70.2	Confident	56.5	Low	58 Å²	58	117 Å²	117	60%	0.598	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-57	169.4	-177.8	0	0	0	0	0	112.3	E9 V13	E9-G11 PolarHBondContact O-N 3.46Å; G11-V13 PolarHBondContact O-N 3.37Å; G11-V13 VanDerWaalsContact O-N 3.16Å
12	C	76.5	Confident	58.4	Low	42 Å²	42	106.5 Å²	106.5	28%	0.284	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-55.4	123.7	176.5	-165	0	0	0	0	110.6	L16 C29	C12-L16 VanDerWaalsContact SG-CB 3.58Å; C12-C29 WeakPolarHBondContact CA-SG 3.36Å; C12-C29 HydrophobicContact CB-CB 4.04Å; C12-C29 WeakPolarHBondContact CB-SG 3.02Å; C12-C29 WeakPolarHBondContact SG-CB 3.27Å; C12-C29 CovalentContact SG-SG 2.01Å; C12-C29 PolarHBondContact SG-SG 2.81Å
13	V	74.1	Confident	60.6	Low	26 Å²	26	109.6 Å²	109.6	16%	0.158	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-64.8	142.9	179.6	-61.2	0	0	0	0	110.3	G11 E15 L16 K37	G11-V13 PolarHBondContact O-N 3.37Å; G11-V13 VanDerWaalsContact O-N 3.16Å; V13-E15 WeakPolarHBondContact CB-OE2 3.44Å; V13-E15 WeakPolarHBondContact CG2-OE2 3.33Å; V13-E15 PolarHBondContact O-N 3.12Å; V13-E15 VanDerWaalsContact O-N 3.08Å; V13-L16 HydrophobicContact CG2-CB 4.19Å; V13-L16 HydrophobicContact CG2-CD1 3.58Å; V13-L16 HydrophobicContact CG2-CG 3.61Å; V13-L16 WeakPolarHBondContact O-CB 3.36Å; V13-L16 PolarHBondContact O-N 3.47Å; V13-K37 HydrophobicContact CG1-CD 4.07Å; V13-K37 HydrophobicContact CG1-CG 4.36Å
14	P	75.2	Confident	62.8	Low	95 Å²	95	107.2 Å²	107.2	62%	0.617	52%	0.522	S	S	*	.	H	α-helix	trans	-54	-32.4	-177.2	-27.8	35.4	0	0	0	113.7	L16 L17 T18	P14-L16 PolarHBondContact O-N 3.16Å; P14-L17 WeakPolarHBondContact O-CA 3.35Å; P14-L17 VanDerWaalsContact O-CB 3.24Å; P14-L17 WeakPolarHBondContact O-CB 3.32Å; P14-L17 PolarHBondContact O-N 2.76Å; P14-T18 PolarHBondContact O-N 3.39Å
15	E	71.4	Confident	65.1	Low	74 Å²	74	102.8 Å²	102.8	35%	0.346	49%	0.491	S	S	.	.	H	α-helix	trans	-69.4	-22.5	179.7	-47.5	103.9	106.4	0	0	113	V13 L17 T18 R44	V13-E15 WeakPolarHBondContact CB-OE2 3.44Å; V13-E15 WeakPolarHBondContact CG2-OE2 3.33Å; V13-E15 PolarHBondContact O-N 3.12Å; V13-E15 VanDerWaalsContact O-N 3.08Å; E15-L17 VanDerWaalsContact C-N 3.25Å; E15-T18 PolarHBondContact O-N 2.99Å; E15-T18 PolarHBondContact O-OG1 2.84Å; E15-R44 IonicContact OE1-CZ 2.85Å; E15-R44 IonicContact OE1-NH1 2.95Å; E15-R44 PolarHBondContact OE1-NH1 3.16Å; E15-R44 IonicContact OE1-NH2 3.78Å; E15-R44 PolarHBondContact OE1-NH2 3.01Å
16	L	70.1	Confident	67.5	Low	2 Å²	2	93.7 Å²	93.7	1%	0.01	46%	0.459	C	S	.	.	H	α-helix	trans	-72.4	-25.4	171.5	-73.4	169.4	0	0	0	111.3	C12 V13 P14 T18 L19 L25 L26 C29 A36 L40	C12-L16 VanDerWaalsContact SG-CB 3.58Å; V13-L16 HydrophobicContact CG2-CB 4.19Å; V13-L16 HydrophobicContact CG2-CD1 3.58Å; V13-L16 HydrophobicContact CG2-CG 3.61Å; V13-L16 WeakPolarHBondContact O-CB 3.36Å; V13-L16 PolarHBondContact O-N 3.47Å; P14-L16 PolarHBondContact O-N 3.16Å; L16-T18 VanDerWaalsContact C-N 3.31Å; L16-L19 HydrophobicContact CD2-CD1 4.38Å; L16-L19 PolarHBondContact O-N 3.21Å; L16-L25 HydrophobicContact CD2-CD1 4.05Å; L16-L25 HydrophobicContact CD2-CD2 3.48Å; L16-L25 VanDerWaalsContact CD2-CD2 3.48Å; L16-L25 HydrophobicContact CD2-CG 3.78Å; L16-L26 WeakPolarHBondContact O-CD2 3.34Å; L16-C29 HydrophobicContact CD1-CB 4.38Å; L16-C29 WeakPolarHBondContact CD1-SG 3.43Å; L16-A36 HydrophobicContact CD1-CB 3.91Å; L16-L40 HydrophobicContact CD2-CB 4.01Å; L16-L40 HydrophobicContact CD2-CD2 3.65Å; L16-L40 HydrophobicContact CD2-CG 4.31Å; L16-L40 HydrophobicContact CG-CD2 3.85Å
17	L	65.2	Low	69.9	Low	89 Å²	89	94.6 Å²	94.6	47%	0.466	45%	0.45	S	S	.	.	H	α-helix	trans	-73.8	-22.3	176	-55.8	175.1	0	0	0	112.4	P14 E15 L19 R20	P14-L17 WeakPolarHBondContact O-CA 3.35Å; P14-L17 VanDerWaalsContact O-CB 3.24Å; P14-L17 WeakPolarHBondContact O-CB 3.32Å; P14-L17 PolarHBondContact O-N 2.76Å; E15-L17 VanDerWaalsContact C-N 3.25Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-R20 WeakPolarHBondContact O-CG 3.45Å
18	T	69.3	Low	72.1	Confident	112 Å²	112	88.7 Å²	88.7	69%	0.687	43%	0.425	S	S	*	.	H	α-helix	trans	-77.5	-24.2	175.2	68.4	0	0	0	0	111.8	P14 E15 L16 R20	P14-T18 PolarHBondContact O-N 3.39Å; E15-T18 PolarHBondContact O-N 2.99Å; E15-T18 PolarHBondContact O-OG1 2.84Å; L16-T18 VanDerWaalsContact C-N 3.31Å; T18-R20 PolarHBondContact O-N 3.24Å
19	L	69.7	Low	74.3	Confident	16 Å²	16	78.9 Å²	78.9	8%	0.084	38%	0.383	C	S	.	.			trans	-78.7	37.1	175.3	-67.9	169	0	0	0	113	L16 L17 R21 N22 L25 L40 L73 N74	L16-L19 HydrophobicContact CD2-CD1 4.38Å; L16-L19 PolarHBondContact O-N 3.21Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L19-R21 PolarHBondContact O-N 2.78Å; L19-N22 PolarHBondContact O-N 2.86Å; L19-L25 HydrophobicContact CB-CD2 4.42Å; L19-L25 HydrophobicContact CD1-CD2 3.87Å; L19-L40 HydrophobicContact CD1-CD1 3.9Å; L19-L73 HydrophobicContact CD1-CD1 4.02Å; L19-L73 HydrophobicContact CD2-CB 4.15Å; L19-N74 WeakPolarHBondContact CD2-ND2 3.28Å
20	R	62.6	Low	76	Confident	197 Å²	197	83.3 Å²	83.3	74%	0.743	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-26	-174.2	-63.7	-166.1	177.3	173.3	-2.8	114.2	L17 T18 N22 L26	L17-R20 WeakPolarHBondContact O-CG 3.45Å; T18-R20 PolarHBondContact O-N 3.24Å; R20-N22 VanDerWaalsContact C-N 3.25Å; R20-N22 PolarHBondContact O-N 3.12Å; R20-L26 HydrophobicContact CB-CD1 4.44Å
21	R	67.3	Low	77.2	Confident	241 Å²	241	87.7 Å²	87.7	91%	0.909	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.2	178.6	-68.8	-175.4	176.2	176.4	-1	113.4	L19 R23	L19-R21 PolarHBondContact O-N 2.78Å; R21-R23 PolarHBondContact O-N 3.11Å
22	N	75.5	Confident	78.2	Confident	21 Å²	21	89.1 Å²	89.1	11%	0.112	40%	0.395	C	S	.	.			trans	-96	86.2	176.3	-163	-46.7	0	0	0	111.2	L19 R20 Y24 L25 L26 L73	L19-N22 PolarHBondContact O-N 2.86Å; R20-N22 VanDerWaalsContact C-N 3.25Å; R20-N22 PolarHBondContact O-N 3.12Å; N22-Y24 PolarHBondContact O-N 3.23Å; N22-Y24 PolarHBondContact OD1-N 2.98Å; N22-L25 HydrophobicContact CB-CB 4.02Å; N22-L25 PolarHBondContact O-N 3.17Å; N22-L25 VanDerWaalsContact O-N 3.12Å; N22-L25 PolarHBondContact OD1-N 2.94Å; N22-L26 PolarHBondContact O-N 3.34Å; N22-L26 VanDerWaalsContact O-N 3.1Å; N22-L73 WeakPolarHBondContact ND2-CD2 3.5Å
23	R	81.2	Confident	78.9	Confident	204 Å²	204	87.5 Å²	87.5	77%	0.77	39%	0.385	S	S	*	.	H	α-helix	trans	-53.8	-38.7	178.8	-68.8	-175.4	178	-178.6	-0.8	112.9	R21 L26 M27	R21-R23 PolarHBondContact O-N 3.11Å; R23-L26 PolarHBondContact O-N 3.41Å; R23-M27 WeakPolarHBondContact O-CG 3.39Å; R23-M27 PolarHBondContact O-N 3.31Å
24	Y	84.9	Confident	79.7	Confident	67 Å²	67	88.1 Å²	88.1	26%	0.263	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-45.5	178.8	176.3	-95.6	0	0	0	111.6	N22 M27 L28 K144 L145	N22-Y24 PolarHBondContact O-N 3.23Å; N22-Y24 PolarHBondContact OD1-N 2.98Å; Y24-M27 PolarHBondContact O-N 3.1Å; Y24-L28 HydrophobicContact CE1-CD2 4.01Å; Y24-L28 VanDerWaalsContact O-CB 3.27Å; Y24-L28 WeakPolarHBondContact O-CB 3.22Å; Y24-L28 PolarHBondContact O-N 3.03Å; Y24-K144 HydrophobicContact CE1-CB 4.34Å; Y24-K144 WeakPolarHBondContact OH-CB 3.5Å; Y24-L145 HydrophobicContact CD1-CD1 3.89Å; Y24-L145 HydrophobicContact CE1-CB 4.31Å; Y24-L145 HydrophobicContact CE1-CD1 4.27Å
25	L	84.5	Confident	80.6	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-40.4	178.9	-174.5	65.9	0	0	0	112	L16 L19 N22 L28 C29 A36 L73 L145	L16-L25 HydrophobicContact CD2-CD1 4.05Å; L16-L25 HydrophobicContact CD2-CD2 3.48Å; L16-L25 VanDerWaalsContact CD2-CD2 3.48Å; L16-L25 HydrophobicContact CD2-CG 3.78Å; L19-L25 HydrophobicContact CB-CD2 4.42Å; L19-L25 HydrophobicContact CD1-CD2 3.87Å; N22-L25 HydrophobicContact CB-CB 4.02Å; N22-L25 PolarHBondContact O-N 3.17Å; N22-L25 VanDerWaalsContact O-N 3.12Å; N22-L25 PolarHBondContact OD1-N 2.94Å; L25-L28 PolarHBondContact O-N 3.27Å; L25-C29 WeakPolarHBondContact O-CB 2.96Å; L25-C29 PolarHBondContact O-N 2.95Å; L25-A36 HydrophobicContact CD1-CB 4.1Å; L25-L73 HydrophobicContact CD2-CD1 3.54Å; L25-L145 HydrophobicContact CB-CD1 4.07Å; L25-L145 HydrophobicContact CD1-CD1 3.94Å; L25-L145 HydrophobicContact CG-CD1 4.49Å
26	L	84	Confident	81.6	Confident	45 Å²	45	80.2 Å²	80.2	24%	0.236	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-47.4	174.5	-73.4	178.2	0	0	0	111.9	L16 R20 N22 R23 L28 C29 R30	L16-L26 WeakPolarHBondContact O-CD2 3.34Å; R20-L26 HydrophobicContact CB-CD1 4.44Å; N22-L26 PolarHBondContact O-N 3.34Å; N22-L26 VanDerWaalsContact O-N 3.1Å; R23-L26 PolarHBondContact O-N 3.41Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 2.92Å; L26-C29 WeakPolarHBondContact O-CB 3.48Å; L26-C29 PolarHBondContact O-N 3.12Å; L26-R30 PolarHBondContact O-N 3.16Å; L26-R30 VanDerWaalsContact O-N 3.12Å
27	M	86.1	Confident	82.7	Confident	105 Å²	105	84.2 Å²	84.2	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-62.1	-40.8	175.7	-71.9	-170.4	-65.1	0	0	111.8	R23 Y24 C29 R30 R31	R23-M27 WeakPolarHBondContact O-CG 3.39Å; R23-M27 PolarHBondContact O-N 3.31Å; Y24-M27 PolarHBondContact O-N 3.1Å; M27-C29 VanDerWaalsContact C-N 3.29Å; M27-C29 PolarHBondContact O-N 3.37Å; M27-R30 PolarHBondContact O-N 3.11Å; M27-R31 PolarHBondContact O-N 2.72Å; M27-R31 VanDerWaalsContact O-N 3.16Å
28	L	88.6	Confident	84	Confident	18 Å²	18	80.6 Å²	80.6	9%	0.094	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-37.5	176.4	-170.1	66.4	0	0	0	111.2	Y24 L25 L26 R31 K32 L35 A36 L39	Y24-L28 HydrophobicContact CE1-CD2 4.01Å; Y24-L28 VanDerWaalsContact O-CB 3.27Å; Y24-L28 WeakPolarHBondContact O-CB 3.22Å; Y24-L28 PolarHBondContact O-N 3.03Å; L25-L28 PolarHBondContact O-N 3.27Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-L28 PolarHBondContact O-N 2.92Å; L28-R31 PolarHBondContact O-N 2.85Å; L28-K32 HydrophobicContact CD1-CB 4.3Å; L28-K32 CarbonylContact O-C 3.23Å; L28-K32 VanDerWaalsContact O-C 3.23Å; L28-K32 WeakPolarHBondContact O-CA 3.42Å; L28-K32 PolarHBondContact O-N 3.31Å; L28-L35 HydrophobicContact CD1-CD2 3.9Å; L28-L35 HydrophobicContact CD2-CD2 4.34Å; L28-L35 HydrophobicContact CD2-CG 4.21Å; L28-L35 HydrophobicContact CG-CD2 4.44Å; L28-A36 HydrophobicContact CD2-CB 4.47Å; L28-A36 HydrophobicContact CG-CB 4.35Å; L28-L39 HydrophobicContact CD2-CD1 3.41Å; L28-L39 VanDerWaalsContact CD2-CD1 3.41Å
29	C	88.6	Confident	85.3	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-40.3	178.3	-154	0	0	0	0	112.3	C12 L16 L25 L26 M27 P33 A36	C12-C29 WeakPolarHBondContact CA-SG 3.36Å; C12-C29 HydrophobicContact CB-CB 4.04Å; C12-C29 WeakPolarHBondContact CB-SG 3.02Å; C12-C29 WeakPolarHBondContact SG-CB 3.27Å; C12-C29 CovalentContact SG-SG 2.01Å; C12-C29 PolarHBondContact SG-SG 2.81Å; L16-C29 HydrophobicContact CD1-CB 4.38Å; L16-C29 WeakPolarHBondContact CD1-SG 3.43Å; L25-C29 WeakPolarHBondContact O-CB 2.96Å; L25-C29 PolarHBondContact O-N 2.95Å; L26-C29 WeakPolarHBondContact O-CB 3.48Å; L26-C29 PolarHBondContact O-N 3.12Å; M27-C29 VanDerWaalsContact C-N 3.29Å; M27-C29 PolarHBondContact O-N 3.37Å; C29-P33 VanDerWaalsContact O-CA 3.28Å; C29-P33 WeakPolarHBondContact O-CA 3.45Å; C29-P33 WeakPolarHBondContact O-CB 3.43Å; C29-A36 HydrophobicContact CB-CB 3.93Å
30	R	87.5	Confident	86.3	Confident	223 Å²	223	74.8 Å²	74.8	84%	0.842	31%	0.307	S	S	*	.	H	α-helix	trans	-66	-37.5	175.8	-69.3	-179	179.5	178.2	-1.7	113	L26 M27	L26-R30 PolarHBondContact O-N 3.16Å; L26-R30 VanDerWaalsContact O-N 3.12Å; M27-R30 PolarHBondContact O-N 3.11Å
31	R	89.5	Confident	87.8	Confident	204 Å²	204	68.3 Å²	68.3	77%	0.77	29%	0.293	S	S	*	.	H	α-helix	trans	-92.4	-30.6	-174.8	-67.6	-176.1	177.3	-178	-0.3	114.5	M27 L28	M27-R31 PolarHBondContact O-N 2.72Å; M27-R31 VanDerWaalsContact O-N 3.16Å; L28-R31 PolarHBondContact O-N 2.85Å
32	K	91.4	Very high	89.2	Confident	87 Å²	87	56.9 Å²	56.9	38%	0.378	25%	0.249	S	C	.	.			trans	-148.6	68	-173.3	-64.1	-171.1	175.9	-177.2	0	109.5	L28 V34 L35 A36	L28-K32 HydrophobicContact CD1-CB 4.3Å; L28-K32 CarbonylContact O-C 3.23Å; L28-K32 VanDerWaalsContact O-C 3.23Å; L28-K32 WeakPolarHBondContact O-CA 3.42Å; L28-K32 PolarHBondContact O-N 3.31Å; K32-V34 VanDerWaalsContact C-N 3.34Å; K32-V34 PolarHBondContact O-N 3.3Å; K32-L35 HydrophobicContact CB-CB 3.93Å; K32-L35 HydrophobicContact CB-CD2 4.34Å; K32-L35 HydrophobicContact CD-CD2 3.98Å; K32-L35 WeakPolarHBondContact O-CB 2.96Å; K32-L35 PolarHBondContact O-N 3.06Å; K32-A36 PolarHBondContact O-N 2.01Å; K32-A36 VanDerWaalsContact O-N 3.11Å
33	P	90.9	Very high	90.1	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.058	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-40.1	-170.2	23.1	-33.9	0	0	0	113	E9 E10 C29 L35 A36 K37	E9-P33 HydrophobicContact CB-CG 4.1Å; E10-P33 WeakPolarHBondContact O-CB 3.24Å; E10-P33 VanDerWaalsContact O-CG 3.27Å; E10-P33 WeakPolarHBondContact O-CG 2.9Å; C29-P33 VanDerWaalsContact O-CA 3.28Å; C29-P33 WeakPolarHBondContact O-CA 3.45Å; C29-P33 WeakPolarHBondContact O-CB 3.43Å; P33-L35 VanDerWaalsContact C-N 3.28Å; P33-L35 PolarHBondContact O-N 2.97Å; P33-A36 PolarHBondContact O-N 2.94Å; P33-A36 VanDerWaalsContact O-N 3.16Å; P33-K37 WeakPolarHBondContact O-CB 3.47Å; P33-K37 PolarHBondContact O-N 3.41Å
34	V	91.2	Very high	90.7	Very high	39 Å²	39	48.7 Å²	48.7	24%	0.236	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-35.3	177.9	-171.3	0	0	0	0	111.9	K32 S38 L110	K32-V34 VanDerWaalsContact C-N 3.34Å; K32-V34 PolarHBondContact O-N 3.3Å; V34-S38 WeakPolarHBondContact O-CB 3.26Å; V34-S38 PolarHBondContact O-N 3.3Å; V34-S38 PolarHBondContact O-OG 3.42Å; V34-L110 HydrophobicContact CB-CD2 4.07Å; V34-L110 HydrophobicContact CG1-CD2 3.75Å
35	L	93.4	Very high	91.2	Very high	2 Å²	2	48 Å²	48	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-43.9	175.6	175.5	58.7	0	0	0	111.1	L28 K32 P33 S38 L39 V101 L110 Y137 N141	L28-L35 HydrophobicContact CD1-CD2 3.9Å; L28-L35 HydrophobicContact CD2-CD2 4.34Å; L28-L35 HydrophobicContact CD2-CG 4.21Å; L28-L35 HydrophobicContact CG-CD2 4.44Å; K32-L35 HydrophobicContact CB-CB 3.93Å; K32-L35 HydrophobicContact CB-CD2 4.34Å; K32-L35 HydrophobicContact CD-CD2 3.98Å; K32-L35 WeakPolarHBondContact O-CB 2.96Å; K32-L35 PolarHBondContact O-N 3.06Å; P33-L35 VanDerWaalsContact C-N 3.28Å; P33-L35 PolarHBondContact O-N 2.97Å; L35-S38 PolarHBondContact O-N 2.94Å; L35-L39 HydrophobicContact CD1-CD1 4.24Å; L35-L39 HydrophobicContact CD1-CG 4.38Å; L35-L39 HydrophobicContact CG-CD1 4.19Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 3.37Å; L35-V101 HydrophobicContact CD1-CB 4.45Å; L35-V101 HydrophobicContact CD1-CG1 3.74Å; L35-V101 HydrophobicContact CD1-CG2 3.78Å; L35-L110 HydrophobicContact CB-CD2 4.08Å; L35-L110 HydrophobicContact CD1-CD1 4.3Å; L35-Y137 HydrophobicContact CD1-CE1 4.22Å; L35-N141 HydrophobicContact CD1-CB 4.24Å
36	A	92.5	Very high	91.8	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-44.6	176.3	0	0	0	0	0	111.6	L16 L25 L28 C29 K32 P33 S38 L39 L40	L16-A36 HydrophobicContact CD1-CB 3.91Å; L25-A36 HydrophobicContact CD1-CB 4.1Å; L28-A36 HydrophobicContact CD2-CB 4.47Å; L28-A36 HydrophobicContact CG-CB 4.35Å; C29-A36 HydrophobicContact CB-CB 3.93Å; K32-A36 PolarHBondContact O-N 2.01Å; K32-A36 VanDerWaalsContact O-N 3.11Å; P33-A36 PolarHBondContact O-N 2.94Å; P33-A36 VanDerWaalsContact O-N 3.16Å; A36-S38 PolarHBondContact O-N 3.37Å; A36-L39 PolarHBondContact O-N 3.06Å; A36-L40 PolarHBondContact O-N 3.08Å
37	K	92.2	Very high	92.3	Very high	86 Å²	86	46.2 Å²	46.2	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-59.1	-44.7	173.7	-173.4	177.7	179	174.3	0	111.7	E10 V13 P33 L39 L40 S41	E10-K37 IonicContact OE1-NZ 3.91Å; E10-K37 IonicContact OE2-NZ 2.66Å; E10-K37 PolarHBondContact OE2-NZ 3.16Å; V13-K37 HydrophobicContact CG1-CD 4.07Å; V13-K37 HydrophobicContact CG1-CG 4.36Å; P33-K37 WeakPolarHBondContact O-CB 3.47Å; P33-K37 PolarHBondContact O-N 3.41Å; K37-L39 PolarHBondContact O-N 3.05Å; K37-L40 PolarHBondContact O-N 3.16Å; K37-S41 VanDerWaalsContact O-CB 3.31Å; K37-S41 WeakPolarHBondContact O-CB 3.31Å; K37-S41 PolarHBondContact O-N 2.92Å
38	S	94.3	Very high	92.7	Very high	13 Å²	13	48.4 Å²	48.4	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-42.7	177.7	-60.1	0	0	0	0	111.9	V34 L35 A36 S41 G42 S100	V34-S38 WeakPolarHBondContact O-CB 3.26Å; V34-S38 PolarHBondContact O-N 3.3Å; V34-S38 PolarHBondContact O-OG 3.42Å; L35-S38 PolarHBondContact O-N 2.94Å; A36-S38 PolarHBondContact O-N 3.37Å; S38-S41 PolarHBondContact O-N 3.22Å; S38-G42 PolarHBondContact O-N 3.33Å; S38-S100 VanDerWaalsContact O-CB 3.23Å; S38-S100 WeakPolarHBondContact O-CB 3.44Å; S38-S100 PolarHBondContact O-OG 2.99Å
39	L	94.6	Very high	93.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-47.9	176.2	-76	162.7	0	0	0	111.9	L28 L35 A36 K37 G42 L43 A97 V101 N141 L145	L28-L39 HydrophobicContact CD2-CD1 3.41Å; L28-L39 VanDerWaalsContact CD2-CD1 3.41Å; L35-L39 HydrophobicContact CD1-CD1 4.24Å; L35-L39 HydrophobicContact CD1-CG 4.38Å; L35-L39 HydrophobicContact CG-CD1 4.19Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 3.37Å; A36-L39 PolarHBondContact O-N 3.06Å; K37-L39 PolarHBondContact O-N 3.05Å; L39-G42 PolarHBondContact O-N 3.43Å; L39-L43 WeakPolarHBondContact O-CG 3.27Å; L39-L43 PolarHBondContact O-N 3.45Å; L39-A97 HydrophobicContact CD2-CB 4.02Å; L39-V101 HydrophobicContact CD2-CG2 3.55Å; L39-V101 HydrophobicContact CG-CG2 3.64Å; L39-N141 HydrophobicContact CD2-CB 4.35Å; L39-L145 HydrophobicContact CB-CD2 3.86Å; L39-L145 HydrophobicContact CD1-CD2 4.11Å; L39-L145 HydrophobicContact CD2-CD2 3.95Å; L39-L145 HydrophobicContact CG-CD2 4.19Å
40	L	92	Very high	93.5	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-43.4	178.3	179.6	63.2	0	0	0	111.6	L16 L19 A36 K37 G42 L43 R44 T71 L73	L16-L40 HydrophobicContact CD2-CB 4.01Å; L16-L40 HydrophobicContact CD2-CD2 3.65Å; L16-L40 HydrophobicContact CD2-CG 4.31Å; L16-L40 HydrophobicContact CG-CD2 3.85Å; L19-L40 HydrophobicContact CD1-CD1 3.9Å; A36-L40 PolarHBondContact O-N 3.08Å; K37-L40 PolarHBondContact O-N 3.16Å; L40-G42 VanDerWaalsContact C-N 3.28Å; L40-G42 PolarHBondContact O-N 3.45Å; L40-L43 PolarHBondContact O-N 3.03Å; L40-L43 VanDerWaalsContact O-N 3.12Å; L40-R44 PolarHBondContact O-N 3.42Å; L40-T71 HydrophobicContact CD1-CG2 4.18Å; L40-L73 HydrophobicContact CD1-CD1 4.41Å
41	S	93.5	Very high	93.8	Very high	62 Å²	62	39.2 Å²	39.2	43%	0.434	18%	0.176	S	C	.	.	H	α-helix	trans	-57.6	-41.9	174.8	174.4	0	0	0	0	111.6	K37 S38 L43 R44 E45	K37-S41 VanDerWaalsContact O-CB 3.31Å; K37-S41 WeakPolarHBondContact O-CB 3.31Å; K37-S41 PolarHBondContact O-N 2.92Å; S38-S41 PolarHBondContact O-N 3.22Å; S41-L43 VanDerWaalsContact C-N 3.33Å; S41-L43 PolarHBondContact O-N 3.14Å; S41-R44 PolarHBondContact O-N 3Å; S41-E45 WeakPolarHBondContact O-CB 3.13Å; S41-E45 PolarHBondContact O-N 3.39Å
42	G	96.6	Very high	94.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-34.3	176	0	0	0	0	0	113.9	S38 L39 L40 A46 G96	S38-G42 PolarHBondContact O-N 3.33Å; L39-G42 PolarHBondContact O-N 3.43Å; L40-G42 VanDerWaalsContact C-N 3.28Å; L40-G42 PolarHBondContact O-N 3.45Å; G42-A46 PolarHBondContact O-N 3.44Å; G42-G96 VanDerWaalsContact CA-O 3.25Å; G42-G96 WeakPolarHBondContact CA-O 3.08Å; G42-G96 CarbonylContact O-C 3.48Å; G42-G96 WeakPolarHBondContact O-CA 3.28Å
43	L	94.8	Very high	94.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-72.6	-39.1	175.1	-69.9	168.3	0	0	0	112.5	L39 L40 S41 E45 A46 V47 T71 L72 L73 S93 A97 L145 L146	L39-L43 WeakPolarHBondContact O-CG 3.27Å; L39-L43 PolarHBondContact O-N 3.45Å; L40-L43 PolarHBondContact O-N 3.03Å; L40-L43 VanDerWaalsContact O-N 3.12Å; S41-L43 VanDerWaalsContact C-N 3.33Å; S41-L43 PolarHBondContact O-N 3.14Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-A46 WeakPolarHBondContact O-CB 3.22Å; L43-A46 PolarHBondContact O-N 3.23Å; L43-V47 WeakPolarHBondContact O-CG2 3.43Å; L43-V47 PolarHBondContact O-N 3.4Å; L43-V47 VanDerWaalsContact O-N 3.15Å; L43-T71 HydrophobicContact CB-CG2 3.96Å; L43-L72 HydrophobicContact CD2-CB 4.41Å; L43-L73 HydrophobicContact CD1-CD1 3.24Å; L43-L73 HydrophobicContact CD1-CD2 4.19Å; L43-L73 HydrophobicContact CD1-CG 3.47Å; L43-L73 VanDerWaalsContact CD1-CG 3.47Å; L43-S93 WeakPolarHBondContact CD2-O 3.18Å; L43-A97 HydrophobicContact CD2-CB 4.19Å; L43-A97 HydrophobicContact CG-CB 4.25Å; L43-L145 HydrophobicContact CD1-CD2 4.04Å; L43-L146 HydrophobicContact CD2-CD1 4.3Å; L43-L146 HydrophobicContact CD2-CD2 4.28Å
44	R	93.5	Very high	94.4	Very high	54 Å²	54	30.9 Å²	30.9	20%	0.204	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-41.7	172.7	-74.8	176.1	163.1	164.9	-6.2	111	E15 L40 S41 A46 V47 R48 D69 T71	E15-R44 IonicContact OE1-CZ 2.85Å; E15-R44 IonicContact OE1-NH1 2.95Å; E15-R44 PolarHBondContact OE1-NH1 3.16Å; E15-R44 IonicContact OE1-NH2 3.78Å; E15-R44 PolarHBondContact OE1-NH2 3.01Å; L40-R44 PolarHBondContact O-N 3.42Å; S41-R44 PolarHBondContact O-N 3Å; R44-A46 VanDerWaalsContact C-N 3.3Å; R44-A46 PolarHBondContact O-N 2.96Å; R44-V47 PolarHBondContact O-N 3.1Å; R44-R48 PolarHBondContact O-N 3.25Å; R44-D69 IonicContact CZ-OD1 3.29Å; R44-D69 IonicContact NE-OD1 3.69Å; R44-D69 IonicContact NH2-OD1 3.61Å; R44-D69 PolarHBondContact NH2-OD1 2.73Å; R44-T71 HydrophobicContact CG-CG2 4.03Å
45	E	95.7	Very high	94.4	Very high	53 Å²	53	33.7 Å²	33.7	25%	0.248	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-36.3	175.2	-163.2	60.1	-161.3	0	0	112.1	S41 L43 V47 R48 E49 W99 F202	S41-E45 WeakPolarHBondContact O-CB 3.13Å; S41-E45 PolarHBondContact O-N 3.39Å; L43-E45 VanDerWaalsContact C-N 3.32Å; E45-V47 VanDerWaalsContact C-N 3.34Å; E45-V47 PolarHBondContact O-N 3.03Å; E45-R48 PolarHBondContact O-N 3.3Å; E45-R48 IonicContact OE2-CZ 2.75Å; E45-R48 IonicContact OE2-NH1 3.72Å; E45-R48 PolarHBondContact OE2-NH1 2.92Å; E45-E49 WeakPolarHBondContact O-CB 3.28Å; E45-E49 PolarHBondContact O-N 2.92Å; E45-W99 HydrophobicContact CG-CZ3 4.17Å; E45-F202 HydrophobicContact CB-CD1 4.48Å; E45-F202 HydrophobicContact CG-CB 4.49Å; E45-F202 HydrophobicContact CG-CD1 3.71Å; E45-F202 HydrophobicContact CG-CE1 4.25Å; E45-F202 HydrophobicContact CG-CG 4.24Å
46	A	97	Very high	94.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-39.9	171.7	0	0	0	0	0	113.5	G42 L43 R44 C50 L92 F202	G42-A46 PolarHBondContact O-N 3.44Å; L43-A46 WeakPolarHBondContact O-CB 3.22Å; L43-A46 PolarHBondContact O-N 3.23Å; R44-A46 VanDerWaalsContact C-N 3.3Å; R44-A46 PolarHBondContact O-N 2.96Å; A46-C50 VanDerWaalsContact O-CB 3.26Å; A46-C50 WeakPolarHBondContact O-CB 3.4Å; A46-C50 PolarHBondContact O-N 3.4Å; A46-L92 HydrophobicContact CB-CG 4.23Å; A46-L92 WeakPolarHBondContact CB-O 3.49Å; A46-L92 VanDerWaalsContact O-CD2 3.27Å; A46-L92 WeakPolarHBondContact O-CD2 3.21Å; A46-F202 HydrophobicContact CB-CE1 4.38Å; A46-F202 HydrophobicContact CB-CZ 4.13Å
47	V	94.5	Very high	94.3	Very high	9 Å²	9	39 Å²	39	6%	0.055	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-47.8	176.7	176.6	0	0	0	0	110.7	L43 R44 E45 E49 C50 Q51 Y70 F89	L43-V47 WeakPolarHBondContact O-CG2 3.43Å; L43-V47 PolarHBondContact O-N 3.4Å; L43-V47 VanDerWaalsContact O-N 3.15Å; R44-V47 PolarHBondContact O-N 3.1Å; E45-V47 VanDerWaalsContact C-N 3.34Å; E45-V47 PolarHBondContact O-N 3.03Å; V47-E49 VanDerWaalsContact C-N 3.34Å; V47-E49 PolarHBondContact O-N 3.39Å; V47-C50 VanDerWaalsContact O-CB 3.28Å; V47-C50 WeakPolarHBondContact O-CB 3.45Å; V47-C50 PolarHBondContact O-N 3.32Å; V47-C50 VanDerWaalsContact O-N 3.12Å; V47-Q51 WeakPolarHBondContact O-CG 3.18Å; V47-Q51 PolarHBondContact O-N 3.23Å; V47-Y70 VanDerWaalsContact CG2-O 3.24Å; V47-Y70 WeakPolarHBondContact CG2-O 3.31Å; V47-F89 HydrophobicContact CG2-CE2 4.09Å; V47-F89 HydrophobicContact CG2-CZ 4.36Å
48	R	94.8	Very high	94.3	Very high	150 Å²	150	39.7 Å²	39.7	57%	0.566	18%	0.178	S	C	*	.	H	α-helix	trans	-59.7	-45	178.6	-66.3	173.1	-174	158.8	-5.7	112.1	R44 E45 C50 Q51 Y52	R44-R48 PolarHBondContact O-N 3.25Å; E45-R48 PolarHBondContact O-N 3.3Å; E45-R48 IonicContact OE2-CZ 2.75Å; E45-R48 IonicContact OE2-NH1 3.72Å; E45-R48 PolarHBondContact OE2-NH1 2.92Å; R48-C50 VanDerWaalsContact C-N 3.31Å; R48-C50 PolarHBondContact O-N 3.09Å; R48-Q51 PolarHBondContact O-N 3.43Å; R48-Y52 WeakPolarHBondContact O-CB 3.47Å; R48-Y52 PolarHBondContact O-N 2Å
49	E	97.3	Very high	94.3	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-69.1	-32.7	177.9	-173.9	57.3	-157.3	0	0	111.6	E45 V47 Y52 Q53 L92 F202 R203	E45-E49 WeakPolarHBondContact O-CB 3.28Å; E45-E49 PolarHBondContact O-N 2.92Å; V47-E49 VanDerWaalsContact C-N 3.34Å; V47-E49 PolarHBondContact O-N 3.39Å; E49-Y52 PolarHBondContact O-N 2.88Å; E49-Q53 HydrophobicContact CG-CG 4.27Å; E49-Q53 WeakPolarHBondContact O-CB 3.48Å; E49-Q53 VanDerWaalsContact O-CG 3.24Å; E49-Q53 WeakPolarHBondContact O-CG 3.27Å; E49-Q53 PolarHBondContact O-N 2.9Å; E49-Q53 VanDerWaalsContact OE1-CG 3.31Å; E49-Q53 WeakPolarHBondContact OE1-CG 3.43Å; E49-Q53 PolarHBondContact OE1-NE2 3.46Å; E49-L92 HydrophobicContact CB-CD2 4.12Å; E49-L92 HydrophobicContact CG-CD1 4.24Å; E49-L92 HydrophobicContact CG-CD2 4.21Å; E49-F202 HydrophobicContact CB-CD1 3.67Å; E49-F202 HydrophobicContact CB-CE1 3.46Å; E49-F202 VanDerWaalsContact CB-CE1 3.46Å; E49-F202 HydrophobicContact CG-CD1 3.89Å; E49-F202 HydrophobicContact CG-CE1 3.85Å; E49-R203 VanDerWaalsContact OE1-CD 3.28Å; E49-R203 WeakPolarHBondContact OE1-CD 3.49Å; E49-R203 IonicContact OE1-NE 2.75Å; E49-R203 PolarHBondContact OE1-NE 2.92Å; E49-R203 IonicContact OE2-CZ 3.02Å; E49-R203 IonicContact OE2-NE 3.66Å; E49-R203 PolarHBondContact OE2-NE 3.36Å; E49-R203 IonicContact OE2-NH2 2.67Å
50	C	96.2	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-49.1	173.4	-168	0	0	0	0	111	A46 V47 R48 Y52 Q53 M54 C61 F88 F89 L92	A46-C50 VanDerWaalsContact O-CB 3.26Å; A46-C50 WeakPolarHBondContact O-CB 3.4Å; A46-C50 PolarHBondContact O-N 3.4Å; V47-C50 VanDerWaalsContact O-CB 3.28Å; V47-C50 WeakPolarHBondContact O-CB 3.45Å; V47-C50 PolarHBondContact O-N 3.32Å; V47-C50 VanDerWaalsContact O-N 3.12Å; R48-C50 VanDerWaalsContact C-N 3.31Å; R48-C50 PolarHBondContact O-N 3.09Å; C50-Y52 VanDerWaalsContact C-N 3.3Å; C50-Y52 PolarHBondContact O-N 3.4Å; C50-Q53 PolarHBondContact O-N 3.36Å; C50-M54 VanDerWaalsContact O-CB 3.23Å; C50-M54 WeakPolarHBondContact O-CB 3.47Å; C50-M54 VanDerWaalsContact O-CG 3.24Å; C50-M54 WeakPolarHBondContact O-CG 3.34Å; C50-M54 PolarHBondContact O-N 3.43Å; C50-C61 HydrophobicContact CB-CB 3.71Å; C50-C61 WeakPolarHBondContact CB-SG 2.97Å; C50-C61 WeakPolarHBondContact SG-CB 3.37Å; C50-C61 CovalentContact SG-SG 2.02Å; C50-C61 PolarHBondContact SG-SG 2.95Å; C50-F88 HydrophobicContact CB-CE1 4.49Å; C50-F89 HydrophobicContact CB-CD2 4.43Å; C50-L92 HydrophobicContact CB-CD2 3.71Å; C50-L92 VanDerWaalsContact N-CD2 3.35Å
51	Q	94.3	Very high	94.2	Very high	46 Å²	46	40.6 Å²	40.6	22%	0.215	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-42.5	176.1	-69.5	166.9	-11.2	0	0	111.1	V47 R48 M54 K55 N60 C61 P67	V47-Q51 WeakPolarHBondContact O-CG 3.18Å; V47-Q51 PolarHBondContact O-N 3.23Å; R48-Q51 PolarHBondContact O-N 3.43Å; Q51-M54 PolarHBondContact O-N 2.01Å; Q51-K55 WeakPolarHBondContact O-CA 3.49Å; Q51-K55 WeakPolarHBondContact O-CB 3.46Å; Q51-K55 PolarHBondContact O-N 3.17Å; Q51-N60 WeakPolarHBondContact CA-O 3.4Å; Q51-C61 HydrophobicContact CG-CB 4.22Å; Q51-P67 PolarHBondContact NE2-O 2.91Å
52	Y	94.7	Very high	93.8	Very high	96 Å²	96	39 Å²	39	38%	0.376	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-47.1	176.7	-176.8	-90.8	0	0	0	112.8	R48 E49 C50 M54 K55 R203	R48-Y52 WeakPolarHBondContact O-CB 3.47Å; R48-Y52 PolarHBondContact O-N 2Å; E49-Y52 PolarHBondContact O-N 2.88Å; C50-Y52 VanDerWaalsContact C-N 3.3Å; C50-Y52 PolarHBondContact O-N 3.4Å; Y52-M54 VanDerWaalsContact C-N 3.32Å; Y52-M54 PolarHBondContact O-N 2.91Å; Y52-K55 VanDerWaalsContact O-CG 3.27Å; Y52-K55 WeakPolarHBondContact O-CG 3.38Å; Y52-R203 VanDerWaalsContact CD1-NE 3.34Å; Y52-R203 VanDerWaalsContact CE1-NE 3.33Å; Y52-R203 VanDerWaalsContact CZ-CZ 3.45Å; Y52-R203 PolarHBondContact OH-NH1 3.4Å
53	Q	95.9	Very high	92.9	Very high	29 Å²	29	39.2 Å²	39.2	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-73.9	-22.7	-178.4	-67.4	-66.8	-20.5	0	0	113.3	E49 C50 F88 K210	E49-Q53 HydrophobicContact CG-CG 4.27Å; E49-Q53 WeakPolarHBondContact O-CB 3.48Å; E49-Q53 VanDerWaalsContact O-CG 3.24Å; E49-Q53 WeakPolarHBondContact O-CG 3.27Å; E49-Q53 PolarHBondContact O-N 2.9Å; E49-Q53 VanDerWaalsContact OE1-CG 3.31Å; E49-Q53 WeakPolarHBondContact OE1-CG 3.43Å; E49-Q53 PolarHBondContact OE1-NE2 3.46Å; C50-Q53 PolarHBondContact O-N 3.36Å; Q53-F88 HydrophobicContact CB-CE1 4.19Å; Q53-F88 HydrophobicContact CB-CZ 3.84Å; Q53-F88 HydrophobicContact CG-CZ 4.24Å; Q53-K210 HydrophobicContact CB-CD 4.44Å; Q53-K210 WeakPolarHBondContact O-CE 3.24Å; Q53-K210 PolarHBondContact O-NZ 3.42Å
54	M	93.9	Very high	91.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-106.2	1.8	-177.9	-59.3	-59.7	-74.4	0	0	113.3	C50 Q51 Y52 H56 N57 W59 N60 C61 E85 F88 K210 L213	C50-M54 VanDerWaalsContact O-CB 3.23Å; C50-M54 WeakPolarHBondContact O-CB 3.47Å; C50-M54 VanDerWaalsContact O-CG 3.24Å; C50-M54 WeakPolarHBondContact O-CG 3.34Å; C50-M54 PolarHBondContact O-N 3.43Å; Q51-M54 PolarHBondContact O-N 2.01Å; Y52-M54 VanDerWaalsContact C-N 3.32Å; Y52-M54 PolarHBondContact O-N 2.91Å; M54-H56 PolarHBondContact O-N 2.93Å; M54-N57 HydrophobicContact CE-CB 3.85Å; M54-N57 WeakPolarHBondContact O-CB 3.35Å; M54-N57 PolarHBondContact O-N 3.49Å; M54-W59 HydrophobicContact CE-CE3 3.78Å; M54-W59 HydrophobicContact CE-CZ3 4.21Å; M54-W59 HydrophobicContact CG-CE3 4.43Å; M54-W59 HydrophobicContact CG-CZ3 4.32Å; M54-N60 WeakPolarHBondContact O-CA 3.03Å; M54-C61 HydrophobicContact CB-CB 4.3Å; M54-C61 HydrophobicContact CG-CB 4.43Å; M54-E85 HydrophobicContact CE-CG 4.22Å; M54-F88 HydrophobicContact CG-CD1 4.11Å; M54-F88 HydrophobicContact CG-CE1 3.84Å; M54-F88 HydrophobicContact SD-CD1 4.1Å; M54-F88 HydrophobicContact SD-CE1 4.06Å; M54-K210 HydrophobicContact SD-CD 4.25Å; M54-K210 PolarHBondContact SD-NZ 3.39Å; M54-L213 HydrophobicContact CE-CD2 4.32Å; M54-L213 HydrophobicContact SD-CD2 4.09Å
55	K	91.5	Very high	90.4	Very high	97 Å²	97	47.2 Å²	47.2	42%	0.422	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-27.8	-176.5	68.1	-179.3	169.7	154.2	0	115.2	Q51 Y52 R264	Q51-K55 WeakPolarHBondContact O-CA 3.49Å; Q51-K55 WeakPolarHBondContact O-CB 3.46Å; Q51-K55 PolarHBondContact O-N 3.17Å; Y52-K55 VanDerWaalsContact O-CG 3.27Å; Y52-K55 WeakPolarHBondContact O-CG 3.38Å; K55-R264 PolarHBondContact O-NH2 2.02Å
56	H	90.5	Very high	88.7	Confident	55 Å²	55	50.9 Å²	50.9	26%	0.255	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	6.4	-179.7	-61.9	-52	0	0	0	113.7	M54	M54-H56 PolarHBondContact O-N 2.93Å
57	N	92.2	Very high	86.8	Confident	59 Å²	59	54.9 Å²	54.9	32%	0.316	26%	0.255	S	S	.	.	S	Bend	trans	-94.9	155.2	172.5	-73.8	67.5	0	0	0	109.9	M54 W59 K210 R264	M54-N57 HydrophobicContact CE-CB 3.85Å; M54-N57 WeakPolarHBondContact O-CB 3.35Å; M54-N57 PolarHBondContact O-N 3.49Å; N57-W59 VanDerWaalsContact C-N 3.29Å; N57-W59 WeakPolarHBondContact CB-O 3.4Å; N57-W59 CarbonylContact O-C 3.49Å; N57-W59 PolarHBondContact O-N 2.94Å; N57-K210 PolarHBondContact OD1-NZ 3.3Å; N57-R264 PolarHBondContact O-NH1 3.27Å; N57-R264 PolarHBondContact O-NH2 3.33Å
58	R	93.4	Very high	85	Confident	101 Å²	101	58.3 Å²	58.3	38%	0.381	28%	0.279	S	S	.	.	S	Bend	trans	-58.9	-37.8	176.9	-64.5	178.5	-173.9	160.9	-2.2	112.9	S248 T261 R264 A280	R58-S248 WeakPolarHBondContact CD-O 3.11Å; R58-T261 HydrophobicContact CB-CG2 4.01Å; R58-T261 HydrophobicContact CG-CG2 4.24Å; R58-R264 VanDerWaalsContact C-NH1 3.26Å; R58-R264 PolarHBondContact O-NH1 3.34Å; R58-A280 PolarHBondContact NE-O 3.36Å; R58-A280 PolarHBondContact NH2-O 2.98Å
59	W	93.6	Very high	83.6	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.015	28%	0.275	C	S	.	.	S	Bend	trans	-92.6	119.1	161.4	-176.6	74.6	0	0	0	110.2	M54 N57 C61 F63 I78 E85 F89 Y249	M54-W59 HydrophobicContact CE-CE3 3.78Å; M54-W59 HydrophobicContact CE-CZ3 4.21Å; M54-W59 HydrophobicContact CG-CE3 4.43Å; M54-W59 HydrophobicContact CG-CZ3 4.32Å; N57-W59 VanDerWaalsContact C-N 3.29Å; N57-W59 WeakPolarHBondContact CB-O 3.4Å; N57-W59 CarbonylContact O-C 3.49Å; N57-W59 PolarHBondContact O-N 2.94Å; W59-C61 HydrophobicContact CE3-CB 4.43Å; W59-C61 HydrophobicContact CH2-CB 3.86Å; W59-C61 WeakPolarHBondContact CH2-SG 3.33Å; W59-C61 HydrophobicContact CZ2-CB 4.18Å; W59-C61 HydrophobicContact CZ3-CB 3.98Å; W59-F63 HydrophobicContact CZ2-CE1 4.03Å; W59-F63 AromaticContact CZ2-CZ 3.81Å; W59-F63 HydrophobicContact CZ2-CZ 3.81Å; W59-I78 HydrophobicContact CD2-CD1 4.11Å; W59-I78 VanDerWaalsContact CE2-CD1 3.44Å; W59-I78 HydrophobicContact CH2-CD1 4.09Å; W59-I78 HydrophobicContact CZ2-CD1 3.43Å; W59-I78 VanDerWaalsContact CZ2-CD1 3.43Å; W59-I78 HydrophobicContact CZ2-CG2 4.44Å; W59-E85 HydrophobicContact CB-CG 4.11Å; W59-E85 HydrophobicContact CD2-CB 3.93Å; W59-E85 HydrophobicContact CD2-CG 3.81Å; W59-E85 HydrophobicContact CE3-CB 3.43Å; W59-E85 VanDerWaalsContact CE3-CB 3.43Å; W59-E85 HydrophobicContact CE3-CG 3.32Å; W59-E85 HydrophobicContact CG-CG 4.19Å; W59-E85 HydrophobicContact CH2-CB 4.13Å; W59-E85 HydrophobicContact CZ3-CB 3.55Å; W59-E85 HydrophobicContact CZ3-CG 3.93Å; W59-F89 HydrophobicContact CH2-CB 4.19Å; W59-Y249 HydrophobicContact CB-CD1 3.83Å; W59-Y249 HydrophobicContact CB-CD2 3.87Å; W59-Y249 HydrophobicContact CB-CE1 3.91Å; W59-Y249 HydrophobicContact CB-CE2 3.95Å; W59-Y249 HydrophobicContact CB-CG 3.81Å; W59-Y249 AromaticContact CD1-CD1 4Å; W59-Y249 AromaticContact CD1-CE1 3.85Å; W59-Y249 HydrophobicContact CG-CD1 4.21Å; W59-Y249 AromaticContact CG-CE1 3.99Å; W59-Y249 HydrophobicContact CG-CE1 3.99Å
60	N	91.6	Very high	82.8	Confident	34 Å²	34	58.1 Å²	58.1	18%	0.182	29%	0.286	C	S	.	.			trans	-102.4	15.7	-174.6	66.3	-11.8	0	0	0	113.9	Q51 M54 C62	Q51-N60 WeakPolarHBondContact CA-O 3.4Å; M54-N60 WeakPolarHBondContact O-CA 3.03Å; N60-C62 PolarHBondContact O-N 3.48Å; N60-C62 WeakPolarHBondContact OD1-CB 2.89Å; N60-C62 PolarHBondContact OD1-N 3.3Å
61	C	92.1	Very high	82.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	64.7	19.2	-175.9	-149.2	0	0	0	0	115.9	C50 Q51 M54 W59 F89	C50-C61 HydrophobicContact CB-CB 3.71Å; C50-C61 WeakPolarHBondContact CB-SG 2.97Å; C50-C61 WeakPolarHBondContact SG-CB 3.37Å; C50-C61 CovalentContact SG-SG 2.02Å; C50-C61 PolarHBondContact SG-SG 2.95Å; Q51-C61 HydrophobicContact CG-CB 4.22Å; M54-C61 HydrophobicContact CB-CB 4.3Å; M54-C61 HydrophobicContact CG-CB 4.43Å; W59-C61 HydrophobicContact CE3-CB 4.43Å; W59-C61 HydrophobicContact CH2-CB 3.86Å; W59-C61 WeakPolarHBondContact CH2-SG 3.33Å; W59-C61 HydrophobicContact CZ2-CB 4.18Å; W59-C61 HydrophobicContact CZ3-CB 3.98Å; C61-F89 VanDerWaalsContact SG-CD2 3.59Å
62	C	85.1	Confident	82.3	Confident	27 Å²	27	56 Å²	56	18%	0.182	28%	0.276	C	S	.	.			trans	-90.3	143.7	166.7	-62.7	0	0	0	0	110.6	N60	N60-C62 PolarHBondContact O-N 3.48Å; N60-C62 WeakPolarHBondContact OD1-CB 2.89Å; N60-C62 PolarHBondContact OD1-N 3.3Å
63	F	77.3	Confident	82	Confident	6 Å²	6	52 Å²	52	3%	0.026	26%	0.261	C	S	.	.			trans	-119.4	120.3	169.4	-56.1	-73.5	0	0	0	106.4	W59 P76 I78 F89	W59-F63 HydrophobicContact CZ2-CE1 4.03Å; W59-F63 AromaticContact CZ2-CZ 3.81Å; W59-F63 HydrophobicContact CZ2-CZ 3.81Å; F63-P76 HydrophobicContact CD1-CB 4.1Å; F63-P76 HydrophobicContact CD2-CB 4.1Å; F63-P76 HydrophobicContact CE1-CB 3.88Å; F63-P76 HydrophobicContact CE2-CB 3.87Å; F63-P76 HydrophobicContact CE2-CG 4.18Å; F63-P76 HydrophobicContact CG-CB 4.2Å; F63-P76 HydrophobicContact CZ-CB 3.75Å; F63-P76 HydrophobicContact CZ-CG 4.1Å; F63-I78 HydrophobicContact CE1-CB 3.86Å; F63-I78 HydrophobicContact CE1-CG2 3.37Å; F63-I78 HydrophobicContact CZ-CB 4.49Å; F63-I78 HydrophobicContact CZ-CG2 3.53Å; F63-F89 HydrophobicContact CE2-CE1 4.4Å; F63-F89 HydrophobicContact CE2-CE2 4.13Å; F63-F89 AromaticContact CE2-CZ 3.98Å; F63-F89 HydrophobicContact CE2-CZ 3.98Å; F63-F89 HydrophobicContact CZ-CE1 4.46Å; F63-F89 HydrophobicContact CZ-CZ 4.44Å
64	D	72.9	Confident	81.5	Confident	53 Å²	53	53.4 Å²	53.4	28%	0.283	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-172.2	-167.8	-55.7	-41.9	0	0	0	112.2	Q66 R257	D64-Q66 PolarHBondContact O-N 2.89Å; D64-R257 PolarHBondContact N-O 3.35Å; D64-R257 VanDerWaalsContact N-O 3.16Å; D64-R257 WeakPolarHBondContact OD1-CB 3.44Å; D64-R257 WeakPolarHBondContact OD2-CD 3.27Å; D64-R257 IonicContact OD2-CZ 3.78Å; D64-R257 IonicContact OD2-NE 3.42Å; D64-R257 IonicContact OD2-NH1 3.68Å; D64-R257 PolarHBondContact OD2-NH1 2.83Å
65	H	63.4	Low	81.1	Confident	168 Å²	168	54.4 Å²	54.4	78%	0.778	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	11	173.9	-62.4	-71.3	0	0	0	113.1	P67	H65-P67 WeakPolarHBondContact O-CD 3.44Å
66	Q	60.1	Low	80.9	Confident	131 Å²	131	49.8 Å²	49.8	61%	0.612	26%	0.255	S	S	*	.			trans	-105	110.3	-177.6	-73	-162.6	-16.6	0	0	112.3	D64 S68 Y70	D64-Q66 PolarHBondContact O-N 2.89Å; Q66-S68 PolarHBondContact O-N 3.39Å; Q66-Y70 HydrophobicContact CB-CE2 4.31Å
67	P	57.3	Low	80.8	Confident	83 Å²	83	48.2 Å²	48.2	54%	0.539	25%	0.25	S	C	.	.			trans	-80	-15.4	-166.3	-17.1	32.2	0	0	0	117.1	Q51 H65	Q51-P67 PolarHBondContact NE2-O 2.91Å; H65-P67 WeakPolarHBondContact O-CD 3.44Å
68	S	57.1	Low	80.7	Confident	81 Å²	81	45.4 Å²	45.4	57%	0.566	24%	0.235	S	C	*	.	S	Bend	trans	-118.2	-17.8	-149.9	45.7	0	0	0	0	119.2	Q66	Q66-S68 PolarHBondContact O-N 3.39Å
69	D	64.2	Low	80.6	Confident	89 Å²	89	40.8 Å²	40.8	48%	0.476	22%	0.218	S	C	.	.	S	Bend	trans	-123.2	4.5	-172.3	-73.3	-51.8	0	0	0	116.3	R44 T71 N74	R44-D69 IonicContact CZ-OD1 3.29Å; R44-D69 IonicContact NE-OD1 3.69Å; R44-D69 IonicContact NH2-OD1 3.61Å; R44-D69 PolarHBondContact NH2-OD1 2.73Å; D69-T71 PolarHBondContact O-N 2.99Å; D69-N74 PolarHBondContact O-ND2 2.84Å; D69-N74 PolarHBondContact O-OD1 3.43Å; D69-N74 VanDerWaalsContact O-OD1 3.1Å
70	Y	80.9	Confident	80.4	Confident	61 Å²	61	46.6 Å²	46.6	24%	0.239	24%	0.24	C	C	.	.			trans	-89.8	85.8	177	-70.2	-77.9	0	0	0	111.8	V47 Q66 N74 R257	V47-Y70 VanDerWaalsContact CG2-O 3.24Å; V47-Y70 WeakPolarHBondContact CG2-O 3.31Å; Q66-Y70 HydrophobicContact CB-CE2 4.31Å; Y70-N74 HydrophobicContact CD1-CB 4.18Å; Y70-R257 PolarHBondContact OH-NH1 2.78Å
71	T	89.5	Confident	80.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.012	24%	0.243	C	C	.	.			trans	-86.1	170.8	170	72.1	0	0	0	0	111.3	L40 L43 R44 D69 L73 N74	L40-T71 HydrophobicContact CD1-CG2 4.18Å; L43-T71 HydrophobicContact CB-CG2 3.96Å; R44-T71 HydrophobicContact CG-CG2 4.03Å; D69-T71 PolarHBondContact O-N 2.99Å; T71-L73 PolarHBondContact O-N 3.24Å; T71-L73 WeakPolarHBondContact OG1-CB 3.37Å; T71-L73 PolarHBondContact OG1-N 3.5Å; T71-L73 VanDerWaalsContact OG1-N 3.17Å; T71-N74 PolarHBondContact N-OD1 3.49Å; T71-N74 WeakPolarHBondContact O-CB 3.34Å; T71-N74 PolarHBondContact O-N 2.99Å; T71-N74 PolarHBondContact O-OD1 2.97Å; T71-N74 PolarHBondContact OG1-OD1 3.3Å
72	L	91.2	Very high	80.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-53.7	-27.7	170	-175.6	58.3	0	0	0	112.2	L43 N74 D75 V79 F89 V90 L146 K149 Y162 L166	L43-L72 HydrophobicContact CD2-CB 4.41Å; L72-N74 VanDerWaalsContact C-N 3.27Å; L72-N74 PolarHBondContact O-N 3.48Å; L72-D75 PolarHBondContact O-N 2.66Å; L72-V79 HydrophobicContact CD1-CG1 3.85Å; L72-F89 HydrophobicContact CB-CE1 4.14Å; L72-F89 HydrophobicContact CD1-CD1 4.29Å; L72-F89 HydrophobicContact CD1-CE1 4.05Å; L72-V90 HydrophobicContact CD1-CG2 4.15Å; L72-L146 HydrophobicContact CD2-CD1 4.26Å; L72-L146 HydrophobicContact CD2-CD2 4.01Å; L72-L146 HydrophobicContact CG-CD2 4.41Å; L72-K149 WeakPolarHBondContact O-CE 3.39Å; L72-K149 PolarHBondContact O-NZ 3.17Å; L72-Y162 HydrophobicContact CD1-CE2 4.35Å; L72-L166 HydrophobicContact CD2-CD2 4.21Å
73	L	88.7	Confident	80.8	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.068	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-67.5	-26.2	178.9	-60.6	167.8	0	0	0	113.3	L19 N22 L25 L40 L43 T71 D75 L145 L146	L19-L73 HydrophobicContact CD1-CD1 4.02Å; L19-L73 HydrophobicContact CD2-CB 4.15Å; N22-L73 WeakPolarHBondContact ND2-CD2 3.5Å; L25-L73 HydrophobicContact CD2-CD1 3.54Å; L40-L73 HydrophobicContact CD1-CD1 4.41Å; L43-L73 HydrophobicContact CD1-CD1 3.24Å; L43-L73 HydrophobicContact CD1-CD2 4.19Å; L43-L73 HydrophobicContact CD1-CG 3.47Å; L43-L73 VanDerWaalsContact CD1-CG 3.47Å; T71-L73 PolarHBondContact O-N 3.24Å; T71-L73 WeakPolarHBondContact OG1-CB 3.37Å; T71-L73 PolarHBondContact OG1-N 3.5Å; T71-L73 VanDerWaalsContact OG1-N 3.17Å; L73-D75 PolarHBondContact O-N 3.5Å; L73-L145 HydrophobicContact CD2-CD1 3.95Å; L73-L145 HydrophobicContact CD2-CD2 4.22Å; L73-L145 HydrophobicContact CD2-CG 4.02Å; L73-L146 HydrophobicContact CD2-CD2 4.02Å
74	N	84.8	Confident	81.7	Confident	57 Å²	57	49.6 Å²	49.6	31%	0.305	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-75.7	-4.5	179.2	-56.3	78.2	0	0	0	113	L19 D69 Y70 T71 L72	L19-N74 WeakPolarHBondContact CD2-ND2 3.28Å; D69-N74 PolarHBondContact O-ND2 2.84Å; D69-N74 PolarHBondContact O-OD1 3.43Å; D69-N74 VanDerWaalsContact O-OD1 3.1Å; Y70-N74 HydrophobicContact CD1-CB 4.18Å; T71-N74 PolarHBondContact N-OD1 3.49Å; T71-N74 WeakPolarHBondContact O-CB 3.34Å; T71-N74 PolarHBondContact O-N 2.99Å; T71-N74 PolarHBondContact O-OD1 2.97Å; T71-N74 PolarHBondContact OG1-OD1 3.3Å; L72-N74 VanDerWaalsContact C-N 3.27Å; L72-N74 PolarHBondContact O-N 3.48Å
75	D	85	Confident	82.8	Confident	21 Å²	21	48.2 Å²	48.2	11%	0.112	24%	0.24	C	C	.	.			trans	58.8	56.5	-178.8	-155.4	58.1	0	0	0	113.6	L72 L73 R80 K149	L72-D75 PolarHBondContact O-N 2.66Å; L73-D75 PolarHBondContact O-N 3.5Å; D75-R80 IonicContact OD2-CZ 3.78Å; D75-R80 IonicContact OD2-NE 3.41Å; D75-R80 PolarHBondContact OD2-NE 3.21Å; D75-R80 IonicContact OD2-NH2 2.88Å; D75-R80 PolarHBondContact OD2-NH2 3.09Å; D75-K149 VanDerWaalsContact CA-NZ 3.26Å; D75-K149 IonicContact OD1-NZ 3.2Å; D75-K149 PolarHBondContact OD1-NZ 3.34Å
76	P	87.3	Confident	84.3	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.205	C	C	.	.			trans	-60.9	135.4	-177.1	23.2	-29.6	0	0	0	110.1	F63 I78 V79 F89	F63-P76 HydrophobicContact CD1-CB 4.1Å; F63-P76 HydrophobicContact CD2-CB 4.1Å; F63-P76 HydrophobicContact CE1-CB 3.88Å; F63-P76 HydrophobicContact CE2-CB 3.87Å; F63-P76 HydrophobicContact CE2-CG 4.18Å; F63-P76 HydrophobicContact CG-CB 4.2Å; F63-P76 HydrophobicContact CZ-CB 3.75Å; F63-P76 HydrophobicContact CZ-CG 4.1Å; P76-I78 PolarHBondContact O-N 3.36Å; P76-V79 HydrophobicContact CG-CG1 4.03Å; P76-V79 WeakPolarHBondContact O-CG2 3.22Å; P76-V79 PolarHBondContact O-N 3.17Å; P76-F89 HydrophobicContact CG-CD1 4.34Å; P76-F89 HydrophobicContact CG-CE1 3.51Å; P76-F89 HydrophobicContact CG-CZ 4.12Å
77	P	89	Confident	86.1	Confident	22 Å²	22	34.3 Å²	34.3	14%	0.143	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-52.2	-31.2	-169.2	-32.9	38.1	0	0	0	115.8	V79 R80 F81 Y255 R257	P77-V79 PolarHBondContact O-N 3Å; P77-V79 VanDerWaalsContact O-N 3.1Å; P77-R80 VanDerWaalsContact O-CB 3.27Å; P77-R80 WeakPolarHBondContact O-CB 3.33Å; P77-R80 WeakPolarHBondContact O-CG 3.45Å; P77-R80 PolarHBondContact O-N 3.17Å; P77-F81 WeakPolarHBondContact O-CD2 3.35Å; P77-Y255 VanDerWaalsContact CB-O 3.29Å; P77-Y255 WeakPolarHBondContact CB-O 3.33Å; P77-R257 HydrophobicContact CG-CG 4.27Å
78	I	90.7	Very high	88	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-55.7	-29.2	177.4	-158	173.3	0	0	0	113.6	W59 F63 P76 R80 F81 Y83 E85 A86 I256	W59-I78 HydrophobicContact CD2-CD1 4.11Å; W59-I78 VanDerWaalsContact CE2-CD1 3.44Å; W59-I78 HydrophobicContact CH2-CD1 4.09Å; W59-I78 HydrophobicContact CZ2-CD1 3.43Å; W59-I78 VanDerWaalsContact CZ2-CD1 3.43Å; W59-I78 HydrophobicContact CZ2-CG2 4.44Å; F63-I78 HydrophobicContact CE1-CB 3.86Å; F63-I78 HydrophobicContact CE1-CG2 3.37Å; F63-I78 HydrophobicContact CZ-CB 4.49Å; F63-I78 HydrophobicContact CZ-CG2 3.53Å; P76-I78 PolarHBondContact O-N 3.36Å; I78-R80 PolarHBondContact O-N 3.3Å; I78-F81 PolarHBondContact O-N 3.15Å; I78-Y83 HydrophobicContact CG1-CD2 4.19Å; I78-E85 HydrophobicContact CD1-CB 3.87Å; I78-A86 HydrophobicContact CG1-CB 4.37Å; I78-A86 WeakPolarHBondContact O-CB 3.27Å; I78-I256 HydrophobicContact CB-CG2 4.43Å
79	V	90.9	Very high	89.8	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.024	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-77.2	-3.6	-178.8	-51.4	0	0	0	0	113	L72 P76 P77 F81 F89 V90 M158	L72-V79 HydrophobicContact CD1-CG1 3.85Å; P76-V79 HydrophobicContact CG-CG1 4.03Å; P76-V79 WeakPolarHBondContact O-CG2 3.22Å; P76-V79 PolarHBondContact O-N 3.17Å; P77-V79 PolarHBondContact O-N 3Å; P77-V79 VanDerWaalsContact O-N 3.1Å; V79-F81 VanDerWaalsContact C-N 3.31Å; V79-F89 HydrophobicContact CG1-CD1 3.88Å; V79-F89 HydrophobicContact CG1-CE1 4.29Å; V79-V90 HydrophobicContact CG1-CG2 4.17Å; V79-M158 VanDerWaalsContact O-CE 3.27Å; V79-M158 WeakPolarHBondContact O-CE 3.45Å
80	R	89.3	Confident	91.4	Very high	126 Å²	126	22.4 Å²	22.4	48%	0.475	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-85.4	-7.2	171.6	-57.6	-179.3	178.1	-178.6	-1.7	112.7	D75 P77 I78	D75-R80 IonicContact OD2-CZ 3.78Å; D75-R80 IonicContact OD2-NE 3.41Å; D75-R80 PolarHBondContact OD2-NE 3.21Å; D75-R80 IonicContact OD2-NH2 2.88Å; D75-R80 PolarHBondContact OD2-NH2 3.09Å; P77-R80 VanDerWaalsContact O-CB 3.27Å; P77-R80 WeakPolarHBondContact O-CB 3.33Å; P77-R80 WeakPolarHBondContact O-CG 3.45Å; P77-R80 PolarHBondContact O-N 3.17Å; I78-R80 PolarHBondContact O-N 3.3Å
81	F	91.3	Very high	92.2	Very high	57 Å²	57	19.5 Å²	19.5	25%	0.25	9%	0.091	C	C	.	.	S	Bend	trans	-112.8	155.9	-179.7	-62.2	-84.2	0	0	0	111.5	P77 I78 V79 Y83 Y255 I256	P77-F81 WeakPolarHBondContact O-CD2 3.35Å; I78-F81 PolarHBondContact O-N 3.15Å; V79-F81 VanDerWaalsContact C-N 3.31Å; F81-Y83 HydrophobicContact CB-CD1 4.05Å; F81-Y83 HydrophobicContact CB-CD2 3.57Å; F81-Y83 HydrophobicContact CB-CE1 3.9Å; F81-Y83 HydrophobicContact CB-CE2 3.41Å; F81-Y83 VanDerWaalsContact CB-CE2 3.41Å; F81-Y83 HydrophobicContact CB-CG 3.87Å; F81-Y83 HydrophobicContact CD1-CE1 4.39Å; F81-Y83 HydrophobicContact CD1-CE2 4.12Å; F81-Y83 AromaticContact CD1-CZ 3.73Å; F81-Y83 WeakPolarHBondContact CD1-OH 3.21Å; F81-Y83 HydrophobicContact CD2-CE2 4.09Å; F81-Y83 HydrophobicContact CG-CD2 4.24Å; F81-Y83 HydrophobicContact CG-CE1 4.41Å; F81-Y83 AromaticContact CG-CE2 3.6Å; F81-Y83 HydrophobicContact CG-CE2 3.6Å; F81-Y83 AromaticContact CG-CZ 3.68Å; F81-Y83 PolarHBondContact O-N 3.41Å; F81-Y83 VanDerWaalsContact O-N 3.15Å; F81-Y255 HydrophobicContact CE1-CD2 4.17Å; F81-Y255 HydrophobicContact CE1-CE2 4.18Å; F81-Y255 AromaticContact CE2-CD2 3.77Å; F81-Y255 HydrophobicContact CE2-CD2 3.77Å; F81-Y255 HydrophobicContact CE2-CE2 4.15Å; F81-Y255 AromaticContact CZ-CD2 3.46Å; F81-Y255 HydrophobicContact CZ-CD2 3.46Å; F81-Y255 VanDerWaalsContact CZ-CD2 3.46Å; F81-Y255 AromaticContact CZ-CE2 3.87Å; F81-Y255 HydrophobicContact CZ-CE2 3.87Å; F81-I256 HydrophobicContact CD2-CG2 3.39Å; F81-I256 HydrophobicContact CE2-CG2 3.34Å; F81-I256 HydrophobicContact CG-CG2 4.37Å; F81-I256 HydrophobicContact CZ-CG2 4.29Å
82	G	91.4	Very high	92.6	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.021	9%	0.09	C	C	.	.			trans	-80.8	23	-179.6	0	0	0	0	0	114.5	Y242 F243 E244	G82-Y242 VanDerWaalsContact O-CB 3.31Å; G82-Y242 WeakPolarHBondContact O-CB 3.5Å; G82-F243 VanDerWaalsContact CA-CZ 3.42Å; G82-F243 PolarHBondContact O-N 3.34Å; G82-E244 PolarHBondContact N-OE2 2.72Å; G82-E244 PolarHBondContact O-N 2.88Å
83	Y	95.3	Very high	92.9	Very high	22 Å²	22	19.4 Å²	19.4	9%	0.086	9%	0.09	C	C	.	.			trans	-74.7	154.5	-170.8	-56.5	-29	0	0	0	113.9	I78 F81 E85 A86 S87 E244 H245 P247 I256	I78-Y83 HydrophobicContact CG1-CD2 4.19Å; F81-Y83 HydrophobicContact CB-CD1 4.05Å; F81-Y83 HydrophobicContact CB-CD2 3.57Å; F81-Y83 HydrophobicContact CB-CE1 3.9Å; F81-Y83 HydrophobicContact CB-CE2 3.41Å; F81-Y83 VanDerWaalsContact CB-CE2 3.41Å; F81-Y83 HydrophobicContact CB-CG 3.87Å; F81-Y83 HydrophobicContact CD1-CE1 4.39Å; F81-Y83 HydrophobicContact CD1-CE2 4.12Å; F81-Y83 AromaticContact CD1-CZ 3.73Å; F81-Y83 WeakPolarHBondContact CD1-OH 3.21Å; F81-Y83 HydrophobicContact CD2-CE2 4.09Å; F81-Y83 HydrophobicContact CG-CD2 4.24Å; F81-Y83 HydrophobicContact CG-CE1 4.41Å; F81-Y83 AromaticContact CG-CE2 3.6Å; F81-Y83 HydrophobicContact CG-CE2 3.6Å; F81-Y83 AromaticContact CG-CZ 3.68Å; F81-Y83 PolarHBondContact O-N 3.41Å; F81-Y83 VanDerWaalsContact O-N 3.15Å; Y83-E85 VanDerWaalsContact C-N 3.31Å; Y83-E85 PolarHBondContact O-N 3.2Å; Y83-A86 WeakPolarHBondContact O-CB 3.44Å; Y83-A86 PolarHBondContact O-N 3.18Å; Y83-S87 PolarHBondContact O-N 3.31Å; Y83-E244 HydrophobicContact CD1-CB 3.79Å; Y83-E244 HydrophobicContact CE1-CB 3.91Å; Y83-H245 WeakPolarHBondContact CD1-O 3.11Å; Y83-H245 WeakPolarHBondContact CE1-O 3.23Å; Y83-P247 HydrophobicContact CE2-CG 4.18Å; Y83-I256 HydrophobicContact CE2-CD1 4.36Å; Y83-I256 HydrophobicContact CE2-CG2 4.22Å
84	K	95.9	Very high	93.3	Very high	48 Å²	48	18.8 Å²	18.8	21%	0.209	9%	0.087	C	C	.	.	H	α-helix	trans	-59.9	-41.1	177.1	-172.4	165.7	-179.4	166.4	0	111.7	A86 S87 F88 L213 S214 A216 Y242 S246	K84-A86 PolarHBondContact O-N 3.18Å; K84-S87 WeakPolarHBondContact O-CB 3.37Å; K84-S87 PolarHBondContact O-N 3.42Å; K84-S87 PolarHBondContact O-OG 3.31Å; K84-F88 PolarHBondContact O-N 3.38Å; K84-L213 HydrophobicContact CD-CD1 4.44Å; K84-L213 WeakPolarHBondContact CE-O 3.3Å; K84-L213 HydrophobicContact CG-CD1 3.53Å; K84-L213 HydrophobicContact CG-CG 4.37Å; K84-L213 PolarHBondContact NZ-O 3.46Å; K84-L213 WeakPolarHBondContact O-CD1 3.33Å; K84-S214 PolarHBondContact NZ-O 3.39Å; K84-A216 HydrophobicContact CG-CB 4.47Å; K84-Y242 HydrophobicContact CB-CD1 4.2Å; K84-Y242 HydrophobicContact CB-CD2 3.89Å; K84-Y242 HydrophobicContact CB-CE1 4.43Å; K84-Y242 HydrophobicContact CB-CE2 4.11Å; K84-Y242 HydrophobicContact CB-CG 3.94Å; K84-Y242 HydrophobicContact CD-CD1 4.45Å; K84-Y242 HydrophobicContact CD-CE1 3.98Å; K84-Y242 HydrophobicContact CD-CE2 4.48Å; K84-Y242 HydrophobicContact CG-CD1 4.16Å; K84-Y242 HydrophobicContact CG-CE1 4.21Å; K84-Y242 HydrophobicContact CG-CG 4.4Å; K84-S246 PolarHBondContact N-OG 2.75Å
85	E	95.7	Very high	94	Very high	24 Å²	24	16.1 Å²	16.1	11%	0.112	7%	0.072	C	C	.	.	H	α-helix	trans	-62.5	-39.8	177.1	-71.7	73.3	-152.9	0	0	112.9	M54 W59 I78 Y83 S87 F88 F89 S246 Y249	M54-E85 HydrophobicContact CE-CG 4.22Å; W59-E85 HydrophobicContact CB-CG 4.11Å; W59-E85 HydrophobicContact CD2-CB 3.93Å; W59-E85 HydrophobicContact CD2-CG 3.81Å; W59-E85 HydrophobicContact CE3-CB 3.43Å; W59-E85 VanDerWaalsContact CE3-CB 3.43Å; W59-E85 HydrophobicContact CE3-CG 3.32Å; W59-E85 HydrophobicContact CG-CG 4.19Å; W59-E85 HydrophobicContact CH2-CB 4.13Å; W59-E85 HydrophobicContact CZ3-CB 3.55Å; W59-E85 HydrophobicContact CZ3-CG 3.93Å; I78-E85 HydrophobicContact CD1-CB 3.87Å; Y83-E85 VanDerWaalsContact C-N 3.31Å; Y83-E85 PolarHBondContact O-N 3.2Å; E85-S87 VanDerWaalsContact C-N 3.3Å; E85-S87 PolarHBondContact O-N 3.19Å; E85-F88 PolarHBondContact O-N 3.32Å; E85-F89 PolarHBondContact O-N 3.48Å; E85-S246 WeakPolarHBondContact OE2-CB 3.42Å; E85-S246 PolarHBondContact OE2-OG 3.18Å; E85-Y249 HydrophobicContact CG-CE2 4.14Å; E85-Y249 PolarHBondContact OE2-OH 3.22Å
86	A	95.2	Very high	94.6	Very high	5 Å²	5	15.1 Å²	15.1	4%	0.041	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-40.4	176.4	0	0	0	0	0	111.1	I78 Y83 K84 F88 F89 V90	I78-A86 HydrophobicContact CG1-CB 4.37Å; I78-A86 WeakPolarHBondContact O-CB 3.27Å; Y83-A86 WeakPolarHBondContact O-CB 3.44Å; Y83-A86 PolarHBondContact O-N 3.18Å; K84-A86 PolarHBondContact O-N 3.18Å; A86-F88 VanDerWaalsContact C-N 3.29Å; A86-F88 PolarHBondContact O-N 2.9Å; A86-F89 PolarHBondContact O-N 3.46Å; A86-V90 WeakPolarHBondContact O-CB 3.5Å; A86-V90 VanDerWaalsContact O-CG2 3.26Å; A86-V90 WeakPolarHBondContact O-CG2 3.39Å; A86-V90 PolarHBondContact O-N 3.02Å
87	S	96.3	Very high	95.1	Very high	2 Å²	2	15 Å²	15	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-57.3	-42.7	176.8	81.7	0	0	0	0	112.4	Y83 K84 E85 A91 N165 V241	Y83-S87 PolarHBondContact O-N 3.31Å; K84-S87 WeakPolarHBondContact O-CB 3.37Å; K84-S87 PolarHBondContact O-N 3.42Å; K84-S87 PolarHBondContact O-OG 3.31Å; E85-S87 VanDerWaalsContact C-N 3.3Å; E85-S87 PolarHBondContact O-N 3.19Å; S87-A91 WeakPolarHBondContact O-CB 3.42Å; S87-A91 PolarHBondContact O-N 2.86Å; S87-A91 VanDerWaalsContact O-N 3.08Å; S87-N165 WeakPolarHBondContact CA-ND2 3.4Å; S87-N165 WeakPolarHBondContact CB-ND2 3.21Å; S87-V241 VanDerWaalsContact CB-O 3.23Å; S87-V241 WeakPolarHBondContact CB-O 3.31Å
88	F	97.6	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.5	-48.1	178.5	-179.4	-113.5	0	0	0	111.6	C50 Q53 M54 K84 E85 A86 V90 A91 L92 L209 K210 L213	C50-F88 HydrophobicContact CB-CE1 4.49Å; Q53-F88 HydrophobicContact CB-CE1 4.19Å; Q53-F88 HydrophobicContact CB-CZ 3.84Å; Q53-F88 HydrophobicContact CG-CZ 4.24Å; M54-F88 HydrophobicContact CG-CD1 4.11Å; M54-F88 HydrophobicContact CG-CE1 3.84Å; M54-F88 HydrophobicContact SD-CD1 4.1Å; M54-F88 HydrophobicContact SD-CE1 4.06Å; K84-F88 PolarHBondContact O-N 3.38Å; E85-F88 PolarHBondContact O-N 3.32Å; A86-F88 VanDerWaalsContact C-N 3.29Å; A86-F88 PolarHBondContact O-N 2.9Å; F88-V90 VanDerWaalsContact C-N 3.35Å; F88-V90 PolarHBondContact O-N 3.49Å; F88-A91 PolarHBondContact O-N 3.46Å; F88-L92 HydrophobicContact CE1-CD2 4.03Å; F88-L92 HydrophobicContact CZ-CD2 3.96Å; F88-L92 WeakPolarHBondContact O-CB 3.41Å; F88-L92 PolarHBondContact O-N 3.09Å; F88-L209 HydrophobicContact CD2-CB 4.15Å; F88-L209 HydrophobicContact CE2-CB 3.7Å; F88-K210 HydrophobicContact CE2-CB 4.29Å; F88-L213 HydrophobicContact CB-CD1 3.79Å; F88-L213 HydrophobicContact CB-CD2 3.8Å; F88-L213 HydrophobicContact CB-CG 4.27Å; F88-L213 HydrophobicContact CD1-CD2 4.35Å; F88-L213 HydrophobicContact CD2-CB 4.15Å; F88-L213 HydrophobicContact CD2-CD2 4.07Å; F88-L213 HydrophobicContact CG-CD2 3.82Å
89	F	96.3	Very high	95.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.5	-43.5	-179.9	-177.2	-109.8	0	0	0	112.3	V47 C50 W59 C61 F63 L72 P76 V79 E85 A86 S93	V47-F89 HydrophobicContact CG2-CE2 4.09Å; V47-F89 HydrophobicContact CG2-CZ 4.36Å; C50-F89 HydrophobicContact CB-CD2 4.43Å; W59-F89 HydrophobicContact CH2-CB 4.19Å; C61-F89 VanDerWaalsContact SG-CD2 3.59Å; F63-F89 HydrophobicContact CE2-CE1 4.4Å; F63-F89 HydrophobicContact CE2-CE2 4.13Å; F63-F89 AromaticContact CE2-CZ 3.98Å; F63-F89 HydrophobicContact CE2-CZ 3.98Å; F63-F89 HydrophobicContact CZ-CE1 4.46Å; F63-F89 HydrophobicContact CZ-CZ 4.44Å; L72-F89 HydrophobicContact CB-CE1 4.14Å; L72-F89 HydrophobicContact CD1-CD1 4.29Å; L72-F89 HydrophobicContact CD1-CE1 4.05Å; P76-F89 HydrophobicContact CG-CD1 4.34Å; P76-F89 HydrophobicContact CG-CE1 3.51Å; P76-F89 HydrophobicContact CG-CZ 4.12Å; V79-F89 HydrophobicContact CG1-CD1 3.88Å; V79-F89 HydrophobicContact CG1-CE1 4.29Å; E85-F89 PolarHBondContact O-N 3.48Å; A86-F89 PolarHBondContact O-N 3.46Å; F89-S93 VanDerWaalsContact O-CB 3.25Å; F89-S93 WeakPolarHBondContact O-CB 3.48Å; F89-S93 PolarHBondContact O-N 3.34Å; F89-S93 PolarHBondContact O-OG 3.31Å
90	V	96.5	Very high	96.2	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.024	7%	0.068	C	C	.	.	H	α-helix	trans	-63.5	-46	177	171.4	0	0	0	0	111.1	L72 V79 A86 F88 S94 Y162 N165 L166	L72-V90 HydrophobicContact CD1-CG2 4.15Å; V79-V90 HydrophobicContact CG1-CG2 4.17Å; A86-V90 WeakPolarHBondContact O-CB 3.5Å; A86-V90 VanDerWaalsContact O-CG2 3.26Å; A86-V90 WeakPolarHBondContact O-CG2 3.39Å; A86-V90 PolarHBondContact O-N 3.02Å; F88-V90 VanDerWaalsContact C-N 3.35Å; F88-V90 PolarHBondContact O-N 3.49Å; V90-S94 PolarHBondContact O-N 2.99Å; V90-Y162 HydrophobicContact CB-CE2 4.4Å; V90-Y162 HydrophobicContact CG1-CD2 3.81Å; V90-Y162 HydrophobicContact CG1-CE2 3.68Å; V90-Y162 HydrophobicContact CG1-CG 4.49Å; V90-Y162 HydrophobicContact CG2-CD2 3.86Å; V90-Y162 HydrophobicContact CG2-CE2 3.72Å; V90-N165 HydrophobicContact CB-CB 4.27Å; V90-N165 HydrophobicContact CG1-CB 3.97Å; V90-L166 HydrophobicContact CG1-CD2 3.56Å; V90-L166 HydrophobicContact CG1-CG 3.73Å
91	A	98	Very high	96.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.4	-46.9	178.9	0	0	0	0	0	112.2	S87 F88 S93 S94 A95 N165 G169 L209 L240	S87-A91 WeakPolarHBondContact O-CB 3.42Å; S87-A91 PolarHBondContact O-N 2.86Å; S87-A91 VanDerWaalsContact O-N 3.08Å; F88-A91 PolarHBondContact O-N 3.46Å; A91-S93 VanDerWaalsContact C-N 3.33Å; A91-S93 PolarHBondContact O-N 3.42Å; A91-S94 PolarHBondContact O-N 3.44Å; A91-A95 WeakPolarHBondContact O-CB 3.38Å; A91-A95 PolarHBondContact O-N 2.86Å; A91-N165 WeakPolarHBondContact CA-O 3.4Å; A91-N165 VanDerWaalsContact CB-O 3.3Å; A91-N165 WeakPolarHBondContact CB-O 3.25Å; A91-G169 WeakPolarHBondContact O-CA 3.46Å; A91-L209 HydrophobicContact CB-CD1 4.43Å; A91-L209 HydrophobicContact CB-CD2 4.07Å; A91-L240 HydrophobicContact CB-CD2 3.4Å
92	L	97.9	Very high	96.7	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.1	-39.5	-179.9	-167.9	62.7	0	0	0	111.4	A46 E49 C50 F88 S94 A95 G96 F202 L209	A46-L92 HydrophobicContact CB-CG 4.23Å; A46-L92 WeakPolarHBondContact CB-O 3.49Å; A46-L92 VanDerWaalsContact O-CD2 3.27Å; A46-L92 WeakPolarHBondContact O-CD2 3.21Å; E49-L92 HydrophobicContact CB-CD2 4.12Å; E49-L92 HydrophobicContact CG-CD1 4.24Å; E49-L92 HydrophobicContact CG-CD2 4.21Å; C50-L92 HydrophobicContact CB-CD2 3.71Å; C50-L92 VanDerWaalsContact N-CD2 3.35Å; F88-L92 HydrophobicContact CE1-CD2 4.03Å; F88-L92 HydrophobicContact CZ-CD2 3.96Å; F88-L92 WeakPolarHBondContact O-CB 3.41Å; F88-L92 PolarHBondContact O-N 3.09Å; L92-S94 PolarHBondContact O-N 3.1Å; L92-A95 PolarHBondContact O-N 3.43Å; L92-G96 PolarHBondContact O-N 3.47Å; L92-F202 HydrophobicContact CD1-CE1 4.02Å; L92-F202 HydrophobicContact CD1-CE2 4.41Å; L92-F202 HydrophobicContact CD1-CZ 3.63Å; L92-F202 HydrophobicContact CG-CE1 4.35Å; L92-F202 HydrophobicContact CG-CZ 4.04Å; L92-L209 HydrophobicContact CB-CD1 4.23Å; L92-L209 HydrophobicContact CD1-CD1 3.78Å
93	S	97.3	Very high	96.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60.1	-44.3	173.3	-65.4	0	0	0	0	112.5	L43 F89 A91 G96 A97	L43-S93 WeakPolarHBondContact CD2-O 3.18Å; F89-S93 VanDerWaalsContact O-CB 3.25Å; F89-S93 WeakPolarHBondContact O-CB 3.48Å; F89-S93 PolarHBondContact O-N 3.34Å; F89-S93 PolarHBondContact O-OG 3.31Å; A91-S93 VanDerWaalsContact C-N 3.33Å; A91-S93 PolarHBondContact O-N 3.42Å; S93-G96 PolarHBondContact O-N 2.98Å; S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 2.95Å
94	S	97.9	Very high	96.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.3	-38	176.9	-160.6	0	0	0	0	112.8	V90 A91 L92 A98 S142 L166 R170	V90-S94 PolarHBondContact O-N 2.99Å; A91-S94 PolarHBondContact O-N 3.44Å; L92-S94 PolarHBondContact O-N 3.1Å; S94-A98 WeakPolarHBondContact O-CB 3.01Å; S94-A98 PolarHBondContact O-N 2.58Å; S94-A98 VanDerWaalsContact O-N 3.17Å; S94-S142 PolarHBondContact O-OG 3.31Å; S94-S142 PolarHBondContact OG-OG 3.48Å; S94-L166 WeakPolarHBondContact CB-O 3.35Å; S94-L166 PolarHBondContact OG-O 2.84Å; S94-R170 WeakPolarHBondContact OG-CG 3.33Å
95	A	98.5	Very high	96.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.6	-46.2	175	0	0	0	0	0	111.2	A91 L92 A98 W99 G169 F202 I205 L209	A91-A95 WeakPolarHBondContact O-CB 3.38Å; A91-A95 PolarHBondContact O-N 2.86Å; L92-A95 PolarHBondContact O-N 3.43Å; A95-A98 PolarHBondContact O-N 3.01Å; A95-W99 WeakPolarHBondContact O-CB 3.43Å; A95-W99 PolarHBondContact O-N 3.22Å; A95-G169 WeakPolarHBondContact CB-O 3.3Å; A95-F202 HydrophobicContact CB-CE2 4.34Å; A95-I205 HydrophobicContact CB-CG2 3.79Å; A95-L209 HydrophobicContact CB-CD1 4.06Å
96	G	98.3	Very high	96.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-45.9	-179.9	0	0	0	0	0	112.9	G42 L92 S93 A98 W99 S100 F202	G42-G96 VanDerWaalsContact CA-O 3.25Å; G42-G96 WeakPolarHBondContact CA-O 3.08Å; G42-G96 CarbonylContact O-C 3.48Å; G42-G96 WeakPolarHBondContact O-CA 3.28Å; L92-G96 PolarHBondContact O-N 3.47Å; S93-G96 PolarHBondContact O-N 2.98Å; G96-A98 VanDerWaalsContact C-N 3.31Å; G96-A98 PolarHBondContact O-N 2.7Å; G96-W99 PolarHBondContact O-N 3.41Å; G96-S100 WeakPolarHBondContact O-CB 3.42Å; G96-S100 PolarHBondContact O-N 3.2Å; G96-F202 VanDerWaalsContact CA-CZ 3.47Å
97	A	97.6	Very high	95.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-42.5	173.7	0	0	0	0	0	112	L39 L43 S93 V101 L146	L39-A97 HydrophobicContact CD2-CB 4.02Å; L43-A97 HydrophobicContact CD2-CB 4.19Å; L43-A97 HydrophobicContact CG-CB 4.25Å; S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 2.95Å; A97-V101 WeakPolarHBondContact O-CG2 3.41Å; A97-V101 PolarHBondContact O-N 2.85Å; A97-L146 HydrophobicContact CB-CD1 4.37Å
98	A	98	Very high	95.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-70.8	-42	179.1	0	0	0	0	0	112.1	S94 A95 G96 A102 G138 L139 L173	S94-A98 WeakPolarHBondContact O-CB 3.01Å; S94-A98 PolarHBondContact O-N 2.58Å; S94-A98 VanDerWaalsContact O-N 3.17Å; A95-A98 PolarHBondContact O-N 3.01Å; G96-A98 VanDerWaalsContact C-N 3.31Å; G96-A98 PolarHBondContact O-N 2.7Å; A98-A102 VanDerWaalsContact O-CB 3.28Å; A98-A102 WeakPolarHBondContact O-CB 3.42Å; A98-A102 PolarHBondContact O-N 3.17Å; A98-G138 WeakPolarHBondContact CA-O 3.34Å; A98-G138 WeakPolarHBondContact O-CA 3.36Å; A98-L139 HydrophobicContact CB-CD2 4.17Å; A98-L173 HydrophobicContact CB-CD2 3.49Å; A98-L173 VanDerWaalsContact CB-CD2 3.49Å
99	W	98.1	Very high	94.8	Very high	26 Å²	26	22.4 Å²	22.4	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-49.1	-179.4	173.4	87.6	0	0	0	111.4	E45 A95 G96 V101 A102 K103 L173 P199 A200 F202 I205	E45-W99 HydrophobicContact CG-CZ3 4.17Å; A95-W99 WeakPolarHBondContact O-CB 3.43Å; A95-W99 PolarHBondContact O-N 3.22Å; G96-W99 PolarHBondContact O-N 3.41Å; W99-V101 PolarHBondContact O-N 2.83Å; W99-A102 PolarHBondContact O-N 3.28Å; W99-K103 HydrophobicContact CH2-CD 3.96Å; W99-K103 HydrophobicContact CZ2-CD 3.69Å; W99-K103 WeakPolarHBondContact O-CB 3.44Å; W99-K103 PolarHBondContact O-N 3.22Å; W99-L173 HydrophobicContact CB-CD1 4.11Å; W99-P199 VanDerWaalsContact CD1-CB 3.49Å; W99-A200 PolarHBondContact NE1-O 3.38Å; W99-F202 HydrophobicContact CB-CD2 4.05Å; W99-F202 HydrophobicContact CB-CE2 4.34Å; W99-F202 HydrophobicContact CD2-CB 4.07Å; W99-F202 AromaticContact CD2-CD2 3.86Å; W99-F202 HydrophobicContact CD2-CD2 3.86Å; W99-F202 HydrophobicContact CD2-CG 4.27Å; W99-F202 HydrophobicContact CE3-CB 4.29Å; W99-F202 HydrophobicContact CE3-CD2 4.13Å; W99-F202 HydrophobicContact CE3-CG 4.32Å; W99-F202 AromaticContact CG-CD2 3.81Å; W99-F202 HydrophobicContact CG-CD2 3.81Å; W99-F202 HydrophobicContact CH2-CB 4.12Å; W99-F202 HydrophobicContact CZ2-CB 3.88Å; W99-F202 HydrophobicContact CZ3-CB 4.31Å; W99-I205 HydrophobicContact CB-CD1 4.32Å; W99-I205 VanDerWaalsContact CD1-CD1 3.48Å; W99-I205 HydrophobicContact CG-CD1 4.11Å
100	S	97.2	Very high	94.4	Very high	13 Å²	13	22.7 Å²	22.7	9%	0.091	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-44.2	-179.2	178.5	0	0	0	0	111.9	S38 G96 K103 A104	S38-S100 VanDerWaalsContact O-CB 3.23Å; S38-S100 WeakPolarHBondContact O-CB 3.44Å; S38-S100 PolarHBondContact O-OG 2.99Å; G96-S100 WeakPolarHBondContact O-CB 3.42Å; G96-S100 PolarHBondContact O-N 3.2Å; S100-K103 PolarHBondContact O-N 2.95Å; S100-A104 WeakPolarHBondContact O-CB 3.25Å; S100-A104 PolarHBondContact O-N 2.64Å
101	V	96	Very high	93.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.9	-41.3	176	173.8	0	0	0	0	111.6	L35 L39 A97 W99 A104 C105 L110 Y137 N141	L35-V101 HydrophobicContact CD1-CB 4.45Å; L35-V101 HydrophobicContact CD1-CG1 3.74Å; L35-V101 HydrophobicContact CD1-CG2 3.78Å; L39-V101 HydrophobicContact CD2-CG2 3.55Å; L39-V101 HydrophobicContact CG-CG2 3.64Å; A97-V101 WeakPolarHBondContact O-CG2 3.41Å; A97-V101 PolarHBondContact O-N 2.85Å; W99-V101 PolarHBondContact O-N 2.83Å; V101-A104 PolarHBondContact O-N 2.94Å; V101-C105 WeakPolarHBondContact O-CB 3.43Å; V101-C105 PolarHBondContact O-N 2.99Å; V101-L110 HydrophobicContact CG1-CD1 3.86Å; V101-Y137 HydrophobicContact CG1-CD1 3.76Å; V101-Y137 HydrophobicContact CG1-CE1 4.17Å; V101-N141 HydrophobicContact CG1-CB 4.4Å
102	A	94.9	Very high	93	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-44.5	176.3	0	0	0	0	0	111.5	A98 W99 C105 A106 S134 I135 P199	A98-A102 VanDerWaalsContact O-CB 3.28Å; A98-A102 WeakPolarHBondContact O-CB 3.42Å; A98-A102 PolarHBondContact O-N 3.17Å; W99-A102 PolarHBondContact O-N 3.28Å; A102-C105 PolarHBondContact O-N 3.04Å; A102-A106 WeakPolarHBondContact O-CB 3.33Å; A102-A106 PolarHBondContact O-N 2.94Å; A102-S134 WeakPolarHBondContact CA-O 3.43Å; A102-S134 WeakPolarHBondContact O-CB 3.31Å; A102-I135 HydrophobicContact CB-CD1 4.06Å; A102-P199 HydrophobicContact CB-CG 3.94Å
103	K	93.7	Very high	92.3	Very high	75 Å²	75	29.8 Å²	29.8	33%	0.326	18%	0.178	S	C	.	.	H	α-helix	trans	-63.9	-44	176.5	-167.2	165.2	-175.5	166.5	0	111.7	W99 S100 C105 A106 N107 E201	W99-K103 HydrophobicContact CH2-CD 3.96Å; W99-K103 HydrophobicContact CZ2-CD 3.69Å; W99-K103 WeakPolarHBondContact O-CB 3.44Å; W99-K103 PolarHBondContact O-N 3.22Å; S100-K103 PolarHBondContact O-N 2.95Å; K103-C105 VanDerWaalsContact C-N 3.35Å; K103-C105 PolarHBondContact O-N 3.17Å; K103-A106 PolarHBondContact O-N 3.33Å; K103-N107 WeakPolarHBondContact O-CB 3.23Å; K103-N107 PolarHBondContact O-N 3.28Å; K103-N107 PolarHBondContact O-ND2 3.06Å; K103-E201 IonicContact NZ-OE2 2.97Å
104	A	93.1	Very high	91.1	Very high	6 Å²	6	32.8 Å²	32.8	5%	0.05	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-39	176.3	0	0	0	0	0	112.6	S100 V101 G108 R109 L110	S100-A104 WeakPolarHBondContact O-CB 3.25Å; S100-A104 PolarHBondContact O-N 2.64Å; V101-A104 PolarHBondContact O-N 2.94Å; A104-G108 PolarHBondContact O-N 3.37Å; A104-R109 HydrophobicContact CB-CB 4.4Å; A104-R109 WeakPolarHBondContact O-CB 3.41Å; A104-R109 PolarHBondContact O-N 3.23Å; A104-L110 HydrophobicContact CB-CD1 3.88Å; A104-L110 HydrophobicContact CB-CG 3.99Å
105	C	92.1	Very high	89.8	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66	-50	173.8	169.8	0	0	0	0	112	V101 A102 K103 N107 G108 L110 C113 C131 S134	V101-C105 WeakPolarHBondContact O-CB 3.43Å; V101-C105 PolarHBondContact O-N 2.99Å; A102-C105 PolarHBondContact O-N 3.04Å; K103-C105 VanDerWaalsContact C-N 3.35Å; K103-C105 PolarHBondContact O-N 3.17Å; C105-N107 PolarHBondContact O-N 3.3Å; C105-G108 PolarHBondContact O-N 3.38Å; C105-L110 HydrophobicContact CB-CD1 4.15Å; C105-C113 HydrophobicContact CB-CB 3.6Å; C105-C113 WeakPolarHBondContact CB-SG 3.47Å; C105-C113 WeakPolarHBondContact SG-CB 2.97Å; C105-C113 CovalentContact SG-SG 2Å; C105-C113 PolarHBondContact SG-SG 2.87Å; C105-C131 VanDerWaalsContact SG-SG 3.69Å; C105-S134 WeakPolarHBondContact SG-CA 3.19Å; C105-S134 WeakPolarHBondContact SG-CB 3.47Å
106	A	88.2	Confident	88.2	Confident	47 Å²	47	40.9 Å²	40.9	39%	0.388	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-30.9	-179.5	0	0	0	0	0	112.4	A102 K103 G108	A102-A106 WeakPolarHBondContact O-CB 3.33Å; A102-A106 PolarHBondContact O-N 2.94Å; K103-A106 PolarHBondContact O-N 3.33Å; A106-G108 VanDerWaalsContact C-N 3.31Å; A106-G108 PolarHBondContact O-N 3.44Å
107	N	87	Confident	86.2	Confident	94 Å²	94	44.9 Å²	44.9	50%	0.503	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	8.8	177	-63.7	-8.1	0	0	0	113.9	K103 C105 R109	K103-N107 WeakPolarHBondContact O-CB 3.23Å; K103-N107 PolarHBondContact O-N 3.28Å; K103-N107 PolarHBondContact O-ND2 3.06Å; C105-N107 PolarHBondContact O-N 3.3Å; N107-R109 VanDerWaalsContact C-N 3.26Å; N107-R109 HydrophobicContact CB-CG 4.4Å; N107-R109 PolarHBondContact O-N 3.26Å
108	G	86.7	Confident	84.1	Confident	42 Å²	42	55.6 Å²	55.6	43%	0.433	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	15.4	177.7	0	0	0	0	0	115.4	K7 A104 C105 A106	K7-G108 PolarHBondContact NZ-O 3.12Å; A104-G108 PolarHBondContact O-N 3.37Å; C105-G108 PolarHBondContact O-N 3.38Å; A106-G108 VanDerWaalsContact C-N 3.31Å; A106-G108 PolarHBondContact O-N 3.44Å
109	R	88.4	Confident	81.9	Confident	164 Å²	164	63.6 Å²	63.6	62%	0.619	35%	0.347	S	S	*	.			trans	-78.1	-25.2	179.4	-62.8	-176.4	178.7	165.3	-2.2	112.8	A104 N107	A104-R109 HydrophobicContact CB-CB 4.4Å; A104-R109 WeakPolarHBondContact O-CB 3.41Å; A104-R109 PolarHBondContact O-N 3.23Å; N107-R109 VanDerWaalsContact C-N 3.26Å; N107-R109 HydrophobicContact CB-CG 4.4Å; N107-R109 PolarHBondContact O-N 3.26Å
110	L	88.1	Confident	79.7	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.031	37%	0.37	C	S	.	.			trans	-102.8	105.5	-177.7	-64.1	175.2	0	0	0	110.8	V34 L35 V101 A104 C105 S112 C113 Y137	V34-L110 HydrophobicContact CB-CD2 4.07Å; V34-L110 HydrophobicContact CG1-CD2 3.75Å; L35-L110 HydrophobicContact CB-CD2 4.08Å; L35-L110 HydrophobicContact CD1-CD1 4.3Å; V101-L110 HydrophobicContact CG1-CD1 3.86Å; A104-L110 HydrophobicContact CB-CD1 3.88Å; A104-L110 HydrophobicContact CB-CG 3.99Å; C105-L110 HydrophobicContact CB-CD1 4.15Å; L110-S112 PolarHBondContact O-N 2.86Å; L110-C113 HydrophobicContact CB-CB 4.03Å; L110-C113 PolarHBondContact O-N 3.35Å; L110-Y137 HydrophobicContact CD1-CD1 4.39Å; L110-Y137 HydrophobicContact CD1-CE1 4.16Å
111	A	82.6	Confident	77.1	Confident	97 Å²	97	73.5 Å²	73.5	80%	0.802	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-37	177.9	0	0	0	0	0	112.8	C113	A111-C113 PolarHBondContact O-N 3.48Å
112	S	81.3	Confident	75	Confident	44 Å²	44	75.4 Å²	75.4	31%	0.308	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	0.3	176.5	58	0	0	0	0	115.7	L110 Y137	L110-S112 PolarHBondContact O-N 2.86Å; S112-Y137 WeakPolarHBondContact CB-OH 3.4Å; S112-Y137 PolarHBondContact OG-OH 3.46Å
113	C	83.8	Confident	73.1	Confident	12 Å²	12	85.5 Å²	85.5	8%	0.081	47%	0.466	C	S	.	.			trans	-117.1	103.3	-179.1	-160.8	0	0	0	0	110.2	C105 L110 A111 Y133 Y137	C105-C113 HydrophobicContact CB-CB 3.6Å; C105-C113 WeakPolarHBondContact CB-SG 3.47Å; C105-C113 WeakPolarHBondContact SG-CB 2.97Å; C105-C113 CovalentContact SG-SG 2Å; C105-C113 PolarHBondContact SG-SG 2.87Å; L110-C113 HydrophobicContact CB-CB 4.03Å; L110-C113 PolarHBondContact O-N 3.35Å; A111-C113 PolarHBondContact O-N 3.48Å; C113-Y133 VanDerWaalsContact SG-CD1 3.56Å; C113-Y137 HydrophobicContact CB-CD1 3.94Å; C113-Y137 HydrophobicContact CB-CE1 4.14Å; C113-Y137 HydrophobicContact CB-CG 4.28Å
114	S	71.8	Confident	71.4	Confident	62 Å²	62	87.6 Å²	87.6	43%	0.434	48%	0.477	S	S	.	.			trans	-91.5	111.6	-179.9	55.3	0	0	0	0	111	N116 Y133	S114-N116 VanDerWaalsContact C-N 3.31Å; S114-N116 PolarHBondContact O-N 3.25Å; S114-N116 VanDerWaalsContact O-N 3.12Å; S114-Y133 VanDerWaalsContact O-CD1 3.22Å; S114-Y133 WeakPolarHBondContact O-CD1 3.16Å
115	C	71.3	Confident	70	Confident	47 Å²	47	90.4 Å²	90.4	32%	0.318	50%	0.501	S	S	.	.			trans	-83.7	73.9	173.2	-59.3	0	0	0	0	109.9	V117 C131	C115-V117 PolarHBondContact O-N 3.39Å; C115-C131 WeakPolarHBondContact CA-SG 3.41Å; C115-C131 HydrophobicContact CB-CB 3.46Å; C115-C131 VanDerWaalsContact CB-CB 3.46Å; C115-C131 WeakPolarHBondContact CB-SG 3.18Å; C115-C131 WeakPolarHBondContact SG-CB 3.36Å; C115-C131 CovalentContact SG-SG 2.01Å; C115-C131 PolarHBondContact SG-SG 2.66Å
116	N	63.7	Low	68.8	Low	123 Å²	123	93 Å²	93	66%	0.658	51%	0.511	S	S	*	.			trans	-70.3	115	174.3	-70.4	2.8	0	0	0	108.3	S114 R118	S114-N116 VanDerWaalsContact C-N 3.31Å; S114-N116 PolarHBondContact O-N 3.25Å; S114-N116 VanDerWaalsContact O-N 3.12Å; N116-R118 VanDerWaalsContact C-N 3.27Å; N116-R118 PolarHBondContact O-N 3.33Å
117	V	56.9	Low	67.8	Low	84 Å²	84	97.1 Å²	97.1	51%	0.509	52%	0.52	S	S	.	.			trans	-70.8	89	172.2	-174.6	0	0	0	0	106.6	C115 Q119	C115-V117 PolarHBondContact O-N 3.39Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 HydrophobicContact CG1-CG 4.06Å; V117-Q119 PolarHBondContact O-N 2.78Å
118	R	53.3	Low	66.9	Low	225 Å²	225	96.4 Å²	96.4	85%	0.849	51%	0.51	S	S	*	.			trans	-67.1	102.2	159.8	-77.6	-172.6	177.5	-174.8	-3.1	105.9	N116 E120	N116-R118 VanDerWaalsContact C-N 3.27Å; N116-R118 PolarHBondContact O-N 3.33Å; R118-E120 VanDerWaalsContact C-N 3.33Å; R118-E120 PolarHBondContact O-N 2.89Å
119	Q	51.7	Low	65.9	Low	169 Å²	169	95.1 Å²	95.1	79%	0.79	50%	0.497	S	S	*	.			trans	-67.3	97	168.4	-71.1	-178.2	-16.5	0	0	106.7	V117 S121	V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 HydrophobicContact CG1-CG 4.06Å; V117-Q119 PolarHBondContact O-N 2.78Å; Q119-S121 PolarHBondContact O-N 3.1Å; Q119-S121 VanDerWaalsContact O-N 3.14Å
120	E	51.6	Low	64.8	Low	126 Å²	126	88.7 Å²	88.7	59%	0.589	48%	0.481	S	S	*	.			trans	-70.2	105.2	160.6	-78.4	176	-175.3	0	0	106.3	R118 S122	R118-E120 VanDerWaalsContact C-N 3.33Å; R118-E120 PolarHBondContact O-N 2.89Å; E120-S122 VanDerWaalsContact C-N 3.32Å; E120-S122 PolarHBondContact O-N 3.22Å
121	S	43.7	Very low	64	Low	120 Å²	120	88.9 Å²	88.9	84%	0.839	48%	0.483	S	S	*	.			trans	-68.8	88.4	174.6	55.6	0	0	0	0	109.1	Q119	Q119-S121 PolarHBondContact O-N 3.1Å; Q119-S121 VanDerWaalsContact O-N 3.14Å
122	S	51.6	Low	63.7	Low	40 Å²	40	88.8 Å²	88.8	28%	0.28	48%	0.477	S	S	.	.			trans	-97.3	134.5	163.5	73.9	0	0	0	0	109.2	E120 Q124 W126	E120-S122 VanDerWaalsContact C-N 3.32Å; E120-S122 PolarHBondContact O-N 3.22Å; S122-Q124 PolarHBondContact O-N 3.37Å; S122-W126 PolarHBondContact OG-O 2.92Å
123	Q	53.9	Low	63.6	Low	212 Å²	212	90.7 Å²	90.7	99%	0.991	48%	0.478	S	S	*	.	S	Bend	trans	-67.2	9.7	173.2	-70.3	-179.8	-21.8	0	0	113.9
124	Q	58.4	Low	63.9	Low	119 Å²	119	90.2 Å²	90.2	56%	0.556	48%	0.475	S	S	*	.	S	Bend	trans	-85	154.7	-180	-63.7	-177.5	-6.4	0	0	111.5	S122 W126	S122-Q124 PolarHBondContact O-N 3.37Å; Q124-W126 PolarHBondContact O-N 3.01Å
125	A	63.1	Low	64.9	Low	65 Å²	65	87.8 Å²	87.8	54%	0.537	46%	0.457	S	S	.	.	S	Bend	trans	-59.7	-4.8	-178.7	0	0	0	0	0	115.4
126	W	67	Low	65.9	Low	56 Å²	56	91.9 Å²	91.9	21%	0.212	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.5	175.5	67.3	-74.8	0	0	0	110.4	S122 Q124 W128 K179 K193 C195	S122-W126 PolarHBondContact OG-O 2.92Å; Q124-W126 PolarHBondContact O-N 3.01Å; W126-W128 HydrophobicContact CH2-CD2 4.11Å; W126-W128 AromaticContact CH2-CE2 3.37Å; W126-W128 HydrophobicContact CH2-CH2 4.13Å; W126-W128 AromaticContact CH2-CZ2 3.4Å; W126-W128 HydrophobicContact CH2-CZ2 3.4Å; W126-W128 VanDerWaalsContact CH2-CZ2 3.4Å; W126-W128 AromaticContact CH2-NE1 3.5Å; W126-W128 AromaticContact CZ3-CD2 3.61Å; W126-W128 HydrophobicContact CZ3-CD2 3.61Å; W126-W128 AromaticContact CZ3-CE2 3.38Å; W126-W128 HydrophobicContact CZ3-CE3 4.02Å; W126-W128 HydrophobicContact CZ3-CG 4.11Å; W126-W128 HydrophobicContact CZ3-CH2 4.03Å; W126-W128 AromaticContact CZ3-CZ2 3.63Å; W126-W128 HydrophobicContact CZ3-CZ2 3.63Å; W126-W128 HydrophobicContact CZ3-CZ3 4.21Å; W126-W128 AromaticContact CZ3-NE1 3.72Å; W126-K179 VanDerWaalsContact CH2-NZ 3.31Å; W126-K193 VanDerWaalsContact CA-O 3.23Å; W126-K193 WeakPolarHBondContact CA-O 3.13Å; W126-K193 HydrophobicContact CB-CG 3.68Å; W126-C195 HydrophobicContact CE3-CB 4.05Å; W126-C195 HydrophobicContact CZ3-CB 4.31Å
127	K	67.9	Low	67.3	Low	133 Å²	133	86.8 Å²	86.8	58%	0.578	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	145	-179.6	-65.1	-178.7	-179.8	179.5	0	110.7	K193 T194 C195	K127-K193 PolarHBondContact N-O 3.04Å; K127-K193 VanDerWaalsContact N-O 3.1Å; K127-T194 WeakPolarHBondContact O-CA 3.35Å; K127-C195 PolarHBondContact O-N 3.49Å
128	W	67.5	Low	69.2	Low	78 Å²	78	82.8 Å²	82.8	30%	0.295	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.6	167.2	-74.6	113.9	0	0	0	110	W126 K179 K197	W126-W128 HydrophobicContact CH2-CD2 4.11Å; W126-W128 AromaticContact CH2-CE2 3.37Å; W126-W128 HydrophobicContact CH2-CH2 4.13Å; W126-W128 AromaticContact CH2-CZ2 3.4Å; W126-W128 HydrophobicContact CH2-CZ2 3.4Å; W126-W128 VanDerWaalsContact CH2-CZ2 3.4Å; W126-W128 AromaticContact CH2-NE1 3.5Å; W126-W128 AromaticContact CZ3-CD2 3.61Å; W126-W128 HydrophobicContact CZ3-CD2 3.61Å; W126-W128 AromaticContact CZ3-CE2 3.38Å; W126-W128 HydrophobicContact CZ3-CE3 4.02Å; W126-W128 HydrophobicContact CZ3-CG 4.11Å; W126-W128 HydrophobicContact CZ3-CH2 4.03Å; W126-W128 AromaticContact CZ3-CZ2 3.63Å; W126-W128 HydrophobicContact CZ3-CZ2 3.63Å; W126-W128 HydrophobicContact CZ3-CZ3 4.21Å; W126-W128 AromaticContact CZ3-NE1 3.72Å; W128-K179 HydrophobicContact CH2-CD 4.43Å; W128-K197 HydrophobicContact CZ3-CG 4.37Å
129	G	66.2	Low	71.2	Confident	15 Å²	15	72.9 Å²	72.9	16%	0.155	38%	0.38	C	S	.	.			trans	-141.9	-166.7	171.6	0	0	0	0	0	111.6	C195 W196	G129-C195 PolarHBondContact N-O 2.87Å; G129-W196 WeakPolarHBondContact O-CB 3.02Å
130	G	65.4	Low	73.3	Confident	29 Å²	29	68.5 Å²	68.5	30%	0.299	36%	0.362	S	S	.	.	S	Bend	trans	75.6	-171.8	173.1	0	0	0	0	0	115.2	S132	G130-S132 PolarHBondContact O-N 3.45Å
131	C	71.3	Confident	75.3	Confident	10 Å²	10	63 Å²	63	7%	0.068	34%	0.336	C	S	.	.			trans	-101.7	76.8	-165.6	-164.7	0	0	0	0	112.8	C105 C115 Y133 S134	C105-C131 VanDerWaalsContact SG-SG 3.69Å; C115-C131 WeakPolarHBondContact CA-SG 3.41Å; C115-C131 HydrophobicContact CB-CB 3.46Å; C115-C131 VanDerWaalsContact CB-CB 3.46Å; C115-C131 WeakPolarHBondContact CB-SG 3.18Å; C115-C131 WeakPolarHBondContact SG-CB 3.36Å; C115-C131 CovalentContact SG-SG 2.01Å; C115-C131 PolarHBondContact SG-SG 2.66Å; C131-Y133 PolarHBondContact O-N 3.42Å; C131-S134 WeakPolarHBondContact O-CB 3.24Å; C131-S134 PolarHBondContact O-N 2.92Å; C131-S134 VanDerWaalsContact O-N 3.09Å; C131-S134 PolarHBondContact O-OG 3.08Å; C131-S134 VanDerWaalsContact SG-CB 3.6Å; C131-S134 PolarHBondContact SG-N 3.05Å; C131-S134 VanDerWaalsContact SG-N 3.4Å
132	S	75.4	Confident	77.8	Confident	95 Å²	95	57.2 Å²	57.2	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-59.1	-29.8	172.1	63.3	0	0	0	0	112.3	G130 S134 I135	G130-S132 PolarHBondContact O-N 3.45Å; S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 PolarHBondContact O-N 3.05Å; S132-I135 PolarHBondContact O-N 2.95Å
133	Y	81	Confident	79.9	Confident	85 Å²	85	61.8 Å²	61.8	33%	0.333	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-30.3	175.8	-171.1	-109.8	0	0	0	113.3	C113 S114 C131 I135 K136 Y137	C113-Y133 VanDerWaalsContact SG-CD1 3.56Å; S114-Y133 VanDerWaalsContact O-CD1 3.22Å; S114-Y133 WeakPolarHBondContact O-CD1 3.16Å; C131-Y133 PolarHBondContact O-N 3.42Å; Y133-I135 VanDerWaalsContact C-N 3.31Å; Y133-I135 PolarHBondContact O-N 2.97Å; Y133-K136 PolarHBondContact O-N 2.8Å; Y133-Y137 HydrophobicContact CE1-CD2 4.04Å; Y133-Y137 HydrophobicContact CE1-CG 4.41Å; Y133-Y137 WeakPolarHBondContact O-CB 3.48Å; Y133-Y137 PolarHBondContact O-N 3.4Å
134	S	89.3	Confident	81.8	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-42.3	-179.4	67	0	0	0	0	112.8	A102 C105 C131 S132 Y137 G138	A102-S134 WeakPolarHBondContact CA-O 3.43Å; A102-S134 WeakPolarHBondContact O-CB 3.31Å; C105-S134 WeakPolarHBondContact SG-CA 3.19Å; C105-S134 WeakPolarHBondContact SG-CB 3.47Å; C131-S134 WeakPolarHBondContact O-CB 3.24Å; C131-S134 PolarHBondContact O-N 2.92Å; C131-S134 VanDerWaalsContact O-N 3.09Å; C131-S134 PolarHBondContact O-OG 3.08Å; C131-S134 VanDerWaalsContact SG-CB 3.6Å; C131-S134 PolarHBondContact SG-N 3.05Å; C131-S134 VanDerWaalsContact SG-N 3.4Å; S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 PolarHBondContact O-N 3.05Å; S134-Y137 PolarHBondContact O-N 3.07Å; S134-G138 PolarHBondContact O-N 3.5Å
135	I	92.5	Very high	83.4	Confident	11 Å²	11	52 Å²	52	6%	0.056	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-48.5	179.6	-52.8	-52	0	0	0	110	A102 S132 Y133 Y137 G138 L139 L177 P199	A102-I135 HydrophobicContact CB-CD1 4.06Å; S132-I135 PolarHBondContact O-N 2.95Å; Y133-I135 VanDerWaalsContact C-N 3.31Å; Y133-I135 PolarHBondContact O-N 2.97Å; I135-Y137 VanDerWaalsContact C-N 3.29Å; I135-Y137 PolarHBondContact O-N 3.45Å; I135-G138 PolarHBondContact O-N 2.98Å; I135-L139 HydrophobicContact CG2-CD1 3.93Å; I135-L139 HydrophobicContact CG2-CG 4.41Å; I135-L139 WeakPolarHBondContact O-CD1 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.43Å; I135-L139 PolarHBondContact O-N 2.83Å; I135-L177 HydrophobicContact CD1-CD2 3.55Å; I135-L177 HydrophobicContact CG1-CD1 4.4Å; I135-L177 HydrophobicContact CG1-CD2 3.88Å; I135-L177 HydrophobicContact CG2-CD1 4.27Å; I135-L177 HydrophobicContact CG2-CD2 4.26Å; I135-P199 HydrophobicContact CD1-CG 3.64Å
136	K	92.7	Very high	84.8	Confident	133 Å²	133	48.9 Å²	48.9	58%	0.578	23%	0.234	S	C	*	.	H	α-helix	trans	-59.3	-43.9	178.3	-172.7	179.2	179.4	-178.7	0	110.5	Y133 L139 L140	Y133-K136 PolarHBondContact O-N 2.8Å; K136-L139 PolarHBondContact O-N 3.37Å; K136-L140 HydrophobicContact CG-CD1 4.07Å; K136-L140 WeakPolarHBondContact O-CB 3.34Å; K136-L140 VanDerWaalsContact O-CG 3.27Å; K136-L140 WeakPolarHBondContact O-CG 3.36Å; K136-L140 PolarHBondContact O-N 2.84Å
137	Y	94	Very high	85.7	Confident	16 Å²	16	48.9 Å²	48.9	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-44.4	178.8	-163.9	-108.6	0	0	0	112.5	L35 V101 L110 S112 C113 Y133 S134 I135 L140 N141	L35-Y137 HydrophobicContact CD1-CE1 4.22Å; V101-Y137 HydrophobicContact CG1-CD1 3.76Å; V101-Y137 HydrophobicContact CG1-CE1 4.17Å; L110-Y137 HydrophobicContact CD1-CD1 4.39Å; L110-Y137 HydrophobicContact CD1-CE1 4.16Å; S112-Y137 WeakPolarHBondContact CB-OH 3.4Å; S112-Y137 PolarHBondContact OG-OH 3.46Å; C113-Y137 HydrophobicContact CB-CD1 3.94Å; C113-Y137 HydrophobicContact CB-CE1 4.14Å; C113-Y137 HydrophobicContact CB-CG 4.28Å; Y133-Y137 HydrophobicContact CE1-CD2 4.04Å; Y133-Y137 HydrophobicContact CE1-CG 4.41Å; Y133-Y137 WeakPolarHBondContact O-CB 3.48Å; Y133-Y137 PolarHBondContact O-N 3.4Å; S134-Y137 PolarHBondContact O-N 3.07Å; I135-Y137 VanDerWaalsContact C-N 3.29Å; I135-Y137 PolarHBondContact O-N 3.45Å; Y137-L140 PolarHBondContact O-N 2.89Å; Y137-N141 VanDerWaalsContact CE1-ND2 3.34Å; Y137-N141 WeakPolarHBondContact CE1-ND2 3.33Å; Y137-N141 WeakPolarHBondContact CE2-ND2 3.19Å; Y137-N141 VanDerWaalsContact CZ-ND2 3.31Å; Y137-N141 PolarHBondContact O-N 2.84Å; Y137-N141 VanDerWaalsContact O-N 3.1Å; Y137-N141 PolarHBondContact O-ND2 3.42Å
138	G	95.4	Very high	85.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-46.6	176	0	0	0	0	0	113	A98 S134 I135 L140 N141 S142	A98-G138 WeakPolarHBondContact CA-O 3.34Å; A98-G138 WeakPolarHBondContact O-CA 3.36Å; S134-G138 PolarHBondContact O-N 3.5Å; I135-G138 PolarHBondContact O-N 2.98Å; G138-L140 PolarHBondContact O-N 3.09Å; G138-N141 PolarHBondContact O-N 2.95Å; G138-S142 WeakPolarHBondContact O-CB 3.34Å; G138-S142 PolarHBondContact O-N 2.93Å
139	L	95.8	Very high	85.8	Confident	17 Å²	17	44.3 Å²	44.3	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-40.6	179.1	-64.7	167.8	0	0	0	112.8	A98 I135 K136 R143 R170 L173 K174	A98-L139 HydrophobicContact CB-CD2 4.17Å; I135-L139 HydrophobicContact CG2-CD1 3.93Å; I135-L139 HydrophobicContact CG2-CG 4.41Å; I135-L139 WeakPolarHBondContact O-CD1 3.3Å; I135-L139 WeakPolarHBondContact O-CG 3.43Å; I135-L139 PolarHBondContact O-N 2.83Å; K136-L139 PolarHBondContact O-N 3.37Å; L139-R143 WeakPolarHBondContact O-CB 3.49Å; L139-R143 PolarHBondContact O-N 3.17Å; L139-R170 HydrophobicContact CD2-CB 3.68Å; L139-R170 HydrophobicContact CD2-CG 4.03Å; L139-R170 WeakPolarHBondContact CD2-O 3.33Å; L139-R170 VanDerWaalsContact O-CD 3.28Å; L139-R170 WeakPolarHBondContact O-CD 3.27Å; L139-L173 HydrophobicContact CD2-CD2 3.95Å; L139-L173 HydrophobicContact CG-CD2 4.43Å; L139-K174 HydrophobicContact CD1-CD 3.89Å; L139-K174 HydrophobicContact CD1-CG 3.73Å; L139-K174 HydrophobicContact CD2-CG 4.49Å
140	L	95	Very high	85.3	Confident	76 Å²	76	46 Å²	46	40%	0.398	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-47.3	178	-74.6	169.7	0	0	0	111.5	K136 Y137 G138 R143 K144	K136-L140 HydrophobicContact CG-CD1 4.07Å; K136-L140 WeakPolarHBondContact O-CB 3.34Å; K136-L140 VanDerWaalsContact O-CG 3.27Å; K136-L140 WeakPolarHBondContact O-CG 3.36Å; K136-L140 PolarHBondContact O-N 2.84Å; Y137-L140 PolarHBondContact O-N 2.89Å; G138-L140 PolarHBondContact O-N 3.09Å; L140-R143 WeakPolarHBondContact O-CB 3.35Å; L140-R143 PolarHBondContact O-N 3.11Å; L140-K144 WeakPolarHBondContact O-CG 3.37Å; L140-K144 PolarHBondContact O-N 3.23Å
141	N	95	Very high	84.7	Confident	10 Å²	10	51.7 Å²	51.7	5%	0.053	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-36.6	-177.7	-74.6	-69.6	0	0	0	112.5	L35 L39 V101 Y137 G138 R143 K144 L145	L35-N141 HydrophobicContact CD1-CB 4.24Å; L39-N141 HydrophobicContact CD2-CB 4.35Å; V101-N141 HydrophobicContact CG1-CB 4.4Å; Y137-N141 VanDerWaalsContact CE1-ND2 3.34Å; Y137-N141 WeakPolarHBondContact CE1-ND2 3.33Å; Y137-N141 WeakPolarHBondContact CE2-ND2 3.19Å; Y137-N141 VanDerWaalsContact CZ-ND2 3.31Å; Y137-N141 PolarHBondContact O-N 2.84Å; Y137-N141 VanDerWaalsContact O-N 3.1Å; Y137-N141 PolarHBondContact O-ND2 3.42Å; G138-N141 PolarHBondContact O-N 2.95Å; N141-R143 VanDerWaalsContact C-N 3.3Å; N141-R143 PolarHBondContact O-N 2.83Å; N141-K144 PolarHBondContact O-N 3.44Å; N141-L145 WeakPolarHBondContact O-CB 3.23Å; N141-L145 PolarHBondContact O-N 2.98Å
142	S	96.1	Very high	84.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-41.2	169.1	169.8	0	0	0	0	111.8	S94 G138 L146	S94-S142 PolarHBondContact O-OG 3.31Å; S94-S142 PolarHBondContact OG-OG 3.48Å; G138-S142 WeakPolarHBondContact O-CB 3.34Å; G138-S142 PolarHBondContact O-N 2.93Å; S142-L146 PolarHBondContact O-N 3.21Å; S142-L146 VanDerWaalsContact O-N 3.16Å
143	R	95.4	Very high	83.7	Confident	136 Å²	136	50.5 Å²	50.5	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-51.3	175	-174.1	176.2	178.6	177.1	-0.9	112.4	L139 L140 N141 L145 L146 I147 R170	L139-R143 WeakPolarHBondContact O-CB 3.49Å; L139-R143 PolarHBondContact O-N 3.17Å; L140-R143 WeakPolarHBondContact O-CB 3.35Å; L140-R143 PolarHBondContact O-N 3.11Å; N141-R143 VanDerWaalsContact C-N 3.3Å; N141-R143 PolarHBondContact O-N 2.83Å; R143-L145 VanDerWaalsContact C-N 3.28Å; R143-L145 PolarHBondContact O-N 3.31Å; R143-L146 PolarHBondContact O-N 2.86Å; R143-I147 HydrophobicContact CG-CD1 4.21Å; R143-I147 WeakPolarHBondContact O-CB 3.49Å; R143-I147 VanDerWaalsContact O-CG2 3.22Å; R143-I147 WeakPolarHBondContact O-CG2 3.27Å; R143-I147 PolarHBondContact O-N 2.97Å; R143-R170 VanDerWaalsContact CB-NH1 3.3Å
144	K	92.9	Very high	82.8	Confident	123 Å²	123	54.2 Å²	54.2	54%	0.535	28%	0.282	S	S	.	.	H	α-helix	trans	-59.4	-40.3	-179	-71.4	-178.6	177.9	-174.4	0	112.1	Y24 L140 N141	Y24-K144 HydrophobicContact CE1-CB 4.34Å; Y24-K144 WeakPolarHBondContact OH-CB 3.5Å; L140-K144 WeakPolarHBondContact O-CG 3.37Å; L140-K144 PolarHBondContact O-N 3.23Å; N141-K144 PolarHBondContact O-N 3.44Å
145	L	92.5	Very high	82.1	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-45.6	-179.5	179.4	64.3	0	0	0	113.1	Y24 L25 L39 L43 L73 N141 R143	Y24-L145 HydrophobicContact CD1-CD1 3.89Å; Y24-L145 HydrophobicContact CE1-CB 4.31Å; Y24-L145 HydrophobicContact CE1-CD1 4.27Å; L25-L145 HydrophobicContact CB-CD1 4.07Å; L25-L145 HydrophobicContact CD1-CD1 3.94Å; L25-L145 HydrophobicContact CG-CD1 4.49Å; L39-L145 HydrophobicContact CB-CD2 3.86Å; L39-L145 HydrophobicContact CD1-CD2 4.11Å; L39-L145 HydrophobicContact CD2-CD2 3.95Å; L39-L145 HydrophobicContact CG-CD2 4.19Å; L43-L145 HydrophobicContact CD1-CD2 4.04Å; L73-L145 HydrophobicContact CD2-CD1 3.95Å; L73-L145 HydrophobicContact CD2-CD2 4.22Å; L73-L145 HydrophobicContact CD2-CG 4.02Å; N141-L145 WeakPolarHBondContact O-CB 3.23Å; N141-L145 PolarHBondContact O-N 2.98Å; R143-L145 VanDerWaalsContact C-N 3.28Å; R143-L145 PolarHBondContact O-N 3.31Å
146	L	92.8	Very high	81.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-100.9	-13.9	-166.1	-61.4	175	0	0	0	114.3	L43 L72 L73 A97 S142 R143 S148 Y162 L166	L43-L146 HydrophobicContact CD2-CD1 4.3Å; L43-L146 HydrophobicContact CD2-CD2 4.28Å; L72-L146 HydrophobicContact CD2-CD1 4.26Å; L72-L146 HydrophobicContact CD2-CD2 4.01Å; L72-L146 HydrophobicContact CG-CD2 4.41Å; L73-L146 HydrophobicContact CD2-CD2 4.02Å; A97-L146 HydrophobicContact CB-CD1 4.37Å; S142-L146 PolarHBondContact O-N 3.21Å; S142-L146 VanDerWaalsContact O-N 3.16Å; R143-L146 PolarHBondContact O-N 2.86Å; L146-S148 PolarHBondContact O-N 3.39Å; L146-Y162 WeakPolarHBondContact O-CE1 3.32Å; L146-Y162 PolarHBondContact O-OH 3.15Å; L146-L166 HydrophobicContact CB-CD1 4Å; L146-L166 HydrophobicContact CB-CD2 3.81Å; L146-L166 HydrophobicContact CD1-CD2 3.93Å; L146-L166 WeakPolarHBondContact O-CD1 3.33Å
147	I	86	Confident	81.1	Confident	56 Å²	56	54 Å²	54	29%	0.287	29%	0.289	S	S	.	.	S	Bend	trans	-67.9	-27	180	-159.9	162.9	0	0	0	112.6	R143	R143-I147 HydrophobicContact CG-CD1 4.21Å; R143-I147 WeakPolarHBondContact O-CB 3.49Å; R143-I147 VanDerWaalsContact O-CG2 3.22Å; R143-I147 WeakPolarHBondContact O-CG2 3.27Å; R143-I147 PolarHBondContact O-N 2.97Å
148	S	70.2	Confident	80.8	Confident	83 Å²	83	54 Å²	54	58%	0.58	29%	0.29	S	S	*	.			trans	-94.9	96	-179.4	-57.5	0	0	0	0	109.8	L146	L146-S148 PolarHBondContact O-N 3.39Å
149	K	66.6	Low	80.4	Confident	32 Å²	32	59.3 Å²	59.3	14%	0.139	31%	0.31	C	S	.	.			trans	-143.8	155	-179.4	-96.2	-130.3	154	-149.3	0	111.3	L72 D75 W153 Y162	L72-K149 WeakPolarHBondContact O-CE 3.39Å; L72-K149 PolarHBondContact O-NZ 3.17Å; D75-K149 VanDerWaalsContact CA-NZ 3.26Å; D75-K149 IonicContact OD1-NZ 3.2Å; D75-K149 PolarHBondContact OD1-NZ 3.34Å; K149-W153 HydrophobicContact CB-CH2 3.91Å; K149-W153 HydrophobicContact CB-CZ2 4.17Å; K149-Y162 HydrophobicContact CB-CE1 4.06Å; K149-Y162 WeakPolarHBondContact CD-OH 3.45Å
150	P	56.4	Low	80	Confident	51 Å²	51	60 Å²	60	33%	0.331	31%	0.314	S	S	.	.				-80.3	166.2	-123.1	-15.8	29.9	0	0	0	115.9	S152	P150-S152 PolarHBondContact O-N 3.17Å
151	T	53.1	Low	79.8	Confident	149 Å²	149	56.7 Å²	56.7	91%	0.914	30%	0.297	S	S	*	.	S	Bend	trans	-51.1	-11.8	-177.5	32.2	0	0	0	0	117.1
152	S	59.6	Low	79.7	Confident	63 Å²	63	56.6 Å²	56.6	44%	0.441	30%	0.296	S	S	.	.			trans	-100.7	28.6	-169.6	75.9	0	0	0	0	115.4	P150	P150-S152 PolarHBondContact O-N 3.17Å
153	W	65.2	Low	79.5	Confident	16 Å²	16	63.4 Å²	63.4	6%	0.061	32%	0.321	C	S	.	.			trans	-99.7	110.4	173.8	-63.6	-11.2	0	0	0	110.1	K149 T155 M158 R159 Y162	K149-W153 HydrophobicContact CB-CH2 3.91Å; K149-W153 HydrophobicContact CB-CZ2 4.17Å; W153-T155 PolarHBondContact O-N 2.85Å; W153-M158 HydrophobicContact CB-CB 4.27Å; W153-M158 HydrophobicContact CG-CB 4.47Å; W153-R159 HydrophobicContact CE3-CB 4.36Å; W153-R159 HydrophobicContact CE3-CG 3.65Å; W153-R159 HydrophobicContact CZ3-CG 4.28Å; W153-R159 PolarHBondContact O-NH2 2.98Å; W153-R159 VanDerWaalsContact O-NH2 3.16Å; W153-Y162 AromaticContact CH2-CD1 3.33Å; W153-Y162 HydrophobicContact CH2-CD1 3.33Å; W153-Y162 AromaticContact CH2-CD2 3.52Å; W153-Y162 HydrophobicContact CH2-CD2 3.52Å; W153-Y162 AromaticContact CH2-CE1 3.68Å; W153-Y162 HydrophobicContact CH2-CE1 3.68Å; W153-Y162 AromaticContact CH2-CE2 3.89Å; W153-Y162 HydrophobicContact CH2-CE2 3.89Å; W153-Y162 AromaticContact CH2-CG 3.23Å; W153-Y162 HydrophobicContact CH2-CG 3.23Å; W153-Y162 AromaticContact CH2-CZ 3.98Å; W153-Y162 HydrophobicContact CZ2-CD2 4.07Å; W153-Y162 HydrophobicContact CZ2-CE2 4.3Å; W153-Y162 HydrophobicContact CZ2-CG 4.2Å; W153-Y162 AromaticContact CZ3-CD1 3.64Å; W153-Y162 HydrophobicContact CZ3-CD1 3.64Å; W153-Y162 HydrophobicContact CZ3-CD2 4.28Å; W153-Y162 HydrophobicContact CZ3-CE1 4.35Å; W153-Y162 AromaticContact CZ3-CG 3.59Å; W153-Y162 HydrophobicContact CZ3-CG 3.59Å
154	N	62.5	Low	79.4	Confident	163 Å²	163	57.7 Å²	57.7	87%	0.872	30%	0.301	S	S	*	.			trans	-70	-17.1	-171.9	-67.2	-5.5	0	0	0	113.5
155	T	74.2	Confident	79.6	Confident	55 Å²	55	52 Å²	52	34%	0.337	28%	0.276	S	S	.	.			trans	-126.9	144.9	-174.1	68.1	0	0	0	0	113.3	W153 L157 M158	W153-T155 PolarHBondContact O-N 2.85Å; T155-L157 PolarHBondContact O-N 3.46Å; T155-M158 PolarHBondContact O-N 3.19Å; T155-M158 PolarHBondContact OG1-N 3.45Å
156	N	80.1	Confident	79.8	Confident	76 Å²	76	52 Å²	52	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-59	-37.3	171.8	-171.1	16	0	0	0	111.2	M158 R159 I160	N156-M158 PolarHBondContact O-N 3.28Å; N156-R159 PolarHBondContact O-N 2.92Å; N156-I160 WeakPolarHBondContact O-CG1 3.19Å; N156-I160 PolarHBondContact O-N 3.07Å
157	L	84.5	Confident	79.9	Confident	10 Å²	10	55.8 Å²	55.8	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-43.3	179.4	-176	61.8	0	0	0	112.7	T155 R159 I160 V161 L219 Q221 F243	T155-L157 PolarHBondContact O-N 3.46Å; L157-R159 VanDerWaalsContact C-N 3.29Å; L157-R159 PolarHBondContact O-N 3.26Å; L157-I160 WeakPolarHBondContact O-CB 3.25Å; L157-I160 PolarHBondContact O-N 2.96Å; L157-I160 VanDerWaalsContact O-N 3.09Å; L157-V161 HydrophobicContact CD1-CG2 4.06Å; L157-V161 HydrophobicContact CG-CG2 4.18Å; L157-V161 WeakPolarHBondContact O-CB 3.26Å; L157-V161 VanDerWaalsContact O-CG2 3.31Å; L157-V161 WeakPolarHBondContact O-CG2 3.41Å; L157-V161 PolarHBondContact O-N 2.88Å; L157-L219 HydrophobicContact CD1-CD1 4.16Å; L157-Q221 HydrophobicContact CD2-CG 3.56Å; L157-F243 HydrophobicContact CD2-CB 3.95Å; L157-F243 HydrophobicContact CD2-CD1 4.18Å; L157-F243 HydrophobicContact CD2-CD2 3.84Å; L157-F243 HydrophobicContact CD2-CE2 4.43Å; L157-F243 HydrophobicContact CD2-CG 3.7Å; L157-F243 HydrophobicContact CG-CD1 4.21Å; L157-F243 HydrophobicContact CG-CG 4.23Å
158	M	87.2	Confident	80.5	Confident	16 Å²	16	53.3 Å²	53.3	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-43.2	177.1	-92.1	-59.9	-83.3	0	0	112.5	V79 W153 T155 N156 I160 V161 Y162 F243	V79-M158 VanDerWaalsContact O-CE 3.27Å; V79-M158 WeakPolarHBondContact O-CE 3.45Å; W153-M158 HydrophobicContact CB-CB 4.27Å; W153-M158 HydrophobicContact CG-CB 4.47Å; T155-M158 PolarHBondContact O-N 3.19Å; T155-M158 PolarHBondContact OG1-N 3.45Å; N156-M158 PolarHBondContact O-N 3.28Å; M158-I160 VanDerWaalsContact C-N 3.33Å; M158-I160 PolarHBondContact O-N 2.96Å; M158-V161 PolarHBondContact O-N 2.99Å; M158-Y162 VanDerWaalsContact O-CB 3.23Å; M158-Y162 WeakPolarHBondContact O-CB 3.43Å; M158-Y162 PolarHBondContact O-N 3.1Å; M158-F243 HydrophobicContact CG-CE1 3.95Å; M158-F243 HydrophobicContact CG-CZ 3.53Å; M158-F243 HydrophobicContact SD-CE1 3.19Å; M158-F243 WeakPolarHBondContact SD-CE1 3.35Å; M158-F243 HydrophobicContact SD-CZ 3.16Å; M158-F243 WeakPolarHBondContact SD-CZ 3.41Å
159	R	87.3	Confident	81.8	Confident	113 Å²	113	49.3 Å²	49.3	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-40.3	177.7	-66.9	173.5	-167.1	149.7	9.3	111.5	W153 N156 L157 R163	W153-R159 HydrophobicContact CE3-CB 4.36Å; W153-R159 HydrophobicContact CE3-CG 3.65Å; W153-R159 HydrophobicContact CZ3-CG 4.28Å; W153-R159 PolarHBondContact O-NH2 2.98Å; W153-R159 VanDerWaalsContact O-NH2 3.16Å; N156-R159 PolarHBondContact O-N 2.92Å; L157-R159 VanDerWaalsContact C-N 3.29Å; L157-R159 PolarHBondContact O-N 3.26Å; R159-R163 WeakPolarHBondContact O-CB 3.16Å; R159-R163 WeakPolarHBondContact O-CG 3.07Å; R159-R163 PolarHBondContact O-N 3.03Å
160	I	87.6	Confident	83.3	Confident	30 Å²	30	48.8 Å²	48.8	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-50.5	179.2	-66.9	161.5	0	0	0	110.2	N156 L157 M158 Y162 R163 Q164 S228	N156-I160 WeakPolarHBondContact O-CG1 3.19Å; N156-I160 PolarHBondContact O-N 3.07Å; L157-I160 WeakPolarHBondContact O-CB 3.25Å; L157-I160 PolarHBondContact O-N 2.96Å; L157-I160 VanDerWaalsContact O-N 3.09Å; M158-I160 VanDerWaalsContact C-N 3.33Å; M158-I160 PolarHBondContact O-N 2.96Å; I160-Y162 PolarHBondContact O-N 3.43Å; I160-R163 PolarHBondContact O-N 3.44Å; I160-Q164 VanDerWaalsContact O-CB 3.27Å; I160-Q164 WeakPolarHBondContact O-CB 3.46Å; I160-Q164 PolarHBondContact O-N 3.21Å; I160-S228 WeakPolarHBondContact CD1-O 3.5Å
161	V	90.9	Very high	85.2	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-48.9	178.3	166.1	0	0	0	0	110.9	L157 M158 R163 Q164 N165 L219 V241 F243	L157-V161 HydrophobicContact CD1-CG2 4.06Å; L157-V161 HydrophobicContact CG-CG2 4.18Å; L157-V161 WeakPolarHBondContact O-CB 3.26Å; L157-V161 VanDerWaalsContact O-CG2 3.31Å; L157-V161 WeakPolarHBondContact O-CG2 3.41Å; L157-V161 PolarHBondContact O-N 2.88Å; M158-V161 PolarHBondContact O-N 2.99Å; V161-R163 PolarHBondContact O-N 3.44Å; V161-Q164 PolarHBondContact O-N 2.86Å; V161-N165 WeakPolarHBondContact O-CB 3.19Å; V161-N165 VanDerWaalsContact O-CG 3.31Å; V161-N165 PolarHBondContact O-N 3.07Å; V161-N165 PolarHBondContact O-ND2 2.9Å; V161-N165 VanDerWaalsContact O-ND2 3.09Å; V161-L219 HydrophobicContact CG2-CD1 3.66Å; V161-V241 HydrophobicContact CB-CG2 4.31Å; V161-V241 HydrophobicContact CG1-CG2 4.18Å; V161-V241 HydrophobicContact CG2-CG2 4.18Å; V161-F243 HydrophobicContact CB-CD1 4.18Å; V161-F243 HydrophobicContact CB-CE1 4.24Å; V161-F243 HydrophobicContact CG1-CD1 4.1Å; V161-F243 HydrophobicContact CG1-CE1 4.19Å; V161-F243 HydrophobicContact CG2-CD1 3.53Å; V161-F243 HydrophobicContact CG2-CE1 4Å
162	Y	92.4	Very high	87.3	Confident	8 Å²	8	41.4 Å²	41.4	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-50.3	177.9	-178.6	-97.4	0	0	0	112.2	L72 V90 L146 K149 W153 M158 I160 Q164 N165 L166	L72-Y162 HydrophobicContact CD1-CE2 4.35Å; V90-Y162 HydrophobicContact CB-CE2 4.4Å; V90-Y162 HydrophobicContact CG1-CD2 3.81Å; V90-Y162 HydrophobicContact CG1-CE2 3.68Å; V90-Y162 HydrophobicContact CG1-CG 4.49Å; V90-Y162 HydrophobicContact CG2-CD2 3.86Å; V90-Y162 HydrophobicContact CG2-CE2 3.72Å; L146-Y162 WeakPolarHBondContact O-CE1 3.32Å; L146-Y162 PolarHBondContact O-OH 3.15Å; K149-Y162 HydrophobicContact CB-CE1 4.06Å; K149-Y162 WeakPolarHBondContact CD-OH 3.45Å; W153-Y162 AromaticContact CH2-CD1 3.33Å; W153-Y162 HydrophobicContact CH2-CD1 3.33Å; W153-Y162 AromaticContact CH2-CD2 3.52Å; W153-Y162 HydrophobicContact CH2-CD2 3.52Å; W153-Y162 AromaticContact CH2-CE1 3.68Å; W153-Y162 HydrophobicContact CH2-CE1 3.68Å; W153-Y162 AromaticContact CH2-CE2 3.89Å; W153-Y162 HydrophobicContact CH2-CE2 3.89Å; W153-Y162 AromaticContact CH2-CG 3.23Å; W153-Y162 HydrophobicContact CH2-CG 3.23Å; W153-Y162 AromaticContact CH2-CZ 3.98Å; W153-Y162 HydrophobicContact CZ2-CD2 4.07Å; W153-Y162 HydrophobicContact CZ2-CE2 4.3Å; W153-Y162 HydrophobicContact CZ2-CG 4.2Å; W153-Y162 AromaticContact CZ3-CD1 3.64Å; W153-Y162 HydrophobicContact CZ3-CD1 3.64Å; W153-Y162 HydrophobicContact CZ3-CD2 4.28Å; W153-Y162 HydrophobicContact CZ3-CE1 4.35Å; W153-Y162 AromaticContact CZ3-CG 3.59Å; W153-Y162 HydrophobicContact CZ3-CG 3.59Å; M158-Y162 VanDerWaalsContact O-CB 3.23Å; M158-Y162 WeakPolarHBondContact O-CB 3.43Å; M158-Y162 PolarHBondContact O-N 3.1Å; I160-Y162 PolarHBondContact O-N 3.43Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 2.91Å; Y162-N165 PolarHBondContact O-N 2.91Å; Y162-L166 HydrophobicContact CD1-CD1 3.82Å; Y162-L166 HydrophobicContact CD1-CG 4.27Å; Y162-L166 HydrophobicContact CE1-CD1 3.29Å; Y162-L166 HydrophobicContact CE1-CD2 4.45Å; Y162-L166 HydrophobicContact CE1-CG 3.92Å; Y162-L166 WeakPolarHBondContact O-CG 3.38Å; Y162-L166 PolarHBondContact O-N 3.48Å
163	R	92.3	Very high	89.1	Confident	142 Å²	142	38.4 Å²	38.4	54%	0.536	18%	0.18	S	C	.	.	H	α-helix	trans	-63.3	-39.1	179.4	-74.7	173.5	176.9	177.5	1	112.2	R159 I160 V161 K167	R159-R163 WeakPolarHBondContact O-CB 3.16Å; R159-R163 WeakPolarHBondContact O-CG 3.07Å; R159-R163 PolarHBondContact O-N 3.03Å; I160-R163 PolarHBondContact O-N 3.44Å; V161-R163 PolarHBondContact O-N 3.44Å; R163-K167 WeakPolarHBondContact O-CB 3.08Å; R163-K167 PolarHBondContact O-N 2.96Å
164	Q	93.3	Very high	90.5	Very high	16 Å²	16	43 Å²	43	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-46.7	176.6	174.6	59.3	19.7	0	0	111	I160 V161 Y162 L166 K167 A168 L235 R236 E239 V241	I160-Q164 VanDerWaalsContact O-CB 3.27Å; I160-Q164 WeakPolarHBondContact O-CB 3.46Å; I160-Q164 PolarHBondContact O-N 3.21Å; V161-Q164 PolarHBondContact O-N 2.86Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 2.91Å; Q164-L166 PolarHBondContact O-N 3.28Å; Q164-K167 CarbonylContact O-C 3.59Å; Q164-K167 WeakPolarHBondContact O-CA 3.11Å; Q164-K167 WeakPolarHBondContact O-CB 3.38Å; Q164-K167 PolarHBondContact O-N 2.8Å; Q164-K167 VanDerWaalsContact O-N 3.11Å; Q164-A168 PolarHBondContact O-N 2.81Å; Q164-L235 HydrophobicContact CG-CD1 4.27Å; Q164-R236 PolarHBondContact NE2-O 2.78Å; Q164-E239 PolarHBondContact NE2-O 3.28Å; Q164-V241 HydrophobicContact CB-CG2 3.95Å; Q164-V241 HydrophobicContact CG-CG1 4.25Å; Q164-V241 HydrophobicContact CG-CG2 3.66Å
165	N	96.4	Very high	92	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-38.5	178.9	-69.2	-35	0	0	0	112.2	S87 V90 A91 V161 Y162 K167 A168 G169 L240 V241	S87-N165 WeakPolarHBondContact CA-ND2 3.4Å; S87-N165 WeakPolarHBondContact CB-ND2 3.21Å; V90-N165 HydrophobicContact CB-CB 4.27Å; V90-N165 HydrophobicContact CG1-CB 3.97Å; A91-N165 WeakPolarHBondContact CA-O 3.4Å; A91-N165 VanDerWaalsContact CB-O 3.3Å; A91-N165 WeakPolarHBondContact CB-O 3.25Å; V161-N165 WeakPolarHBondContact O-CB 3.19Å; V161-N165 VanDerWaalsContact O-CG 3.31Å; V161-N165 PolarHBondContact O-N 3.07Å; V161-N165 PolarHBondContact O-ND2 2.9Å; V161-N165 VanDerWaalsContact O-ND2 3.09Å; Y162-N165 PolarHBondContact O-N 2.91Å; N165-K167 VanDerWaalsContact C-N 3.32Å; N165-K167 PolarHBondContact O-N 3.02Å; N165-A168 PolarHBondContact O-N 2.83Å; N165-G169 PolarHBondContact O-N 3.48Å; N165-L240 HydrophobicContact CB-CD2 4.46Å; N165-L240 WeakPolarHBondContact OD1-CA 3.29Å; N165-V241 PolarHBondContact ND2-O 2.93Å; N165-V241 PolarHBondContact OD1-N 2.82Å; N165-V241 PolarHBondContact OD1-O 2.04Å
166	L	96.5	Very high	93.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-58.7	-43.8	169.6	-71.1	179.9	0	0	0	111.8	L72 V90 S94 L146 Y162 Q164 G169 R170	L72-L166 HydrophobicContact CD2-CD2 4.21Å; V90-L166 HydrophobicContact CG1-CD2 3.56Å; V90-L166 HydrophobicContact CG1-CG 3.73Å; S94-L166 WeakPolarHBondContact CB-O 3.35Å; S94-L166 PolarHBondContact OG-O 2.84Å; L146-L166 HydrophobicContact CB-CD1 4Å; L146-L166 HydrophobicContact CB-CD2 3.81Å; L146-L166 HydrophobicContact CD1-CD2 3.93Å; L146-L166 WeakPolarHBondContact O-CD1 3.33Å; Y162-L166 HydrophobicContact CD1-CD1 3.82Å; Y162-L166 HydrophobicContact CD1-CG 4.27Å; Y162-L166 HydrophobicContact CE1-CD1 3.29Å; Y162-L166 HydrophobicContact CE1-CD2 4.45Å; Y162-L166 HydrophobicContact CE1-CG 3.92Å; Y162-L166 WeakPolarHBondContact O-CG 3.38Å; Y162-L166 PolarHBondContact O-N 3.48Å; Q164-L166 PolarHBondContact O-N 3.28Å; L166-G169 PolarHBondContact O-N 2.88Å; L166-R170 PolarHBondContact O-N 3.1Å; L166-R170 VanDerWaalsContact O-N 3.1Å
167	K	96.1	Very high	93.7	Very high	81 Å²	81	38.3 Å²	38.3	35%	0.352	17%	0.168	S	C	.	.	H	α-helix	trans	-63.4	-44.9	177.8	-171	-177.1	-175.5	-172.6	0	110.7	R163 Q164 N165 G169 R170 M171 S237	R163-K167 WeakPolarHBondContact O-CB 3.08Å; R163-K167 PolarHBondContact O-N 2.96Å; Q164-K167 CarbonylContact O-C 3.59Å; Q164-K167 WeakPolarHBondContact O-CA 3.11Å; Q164-K167 WeakPolarHBondContact O-CB 3.38Å; Q164-K167 PolarHBondContact O-N 2.8Å; Q164-K167 VanDerWaalsContact O-N 3.11Å; N165-K167 VanDerWaalsContact C-N 3.32Å; N165-K167 PolarHBondContact O-N 3.02Å; K167-G169 VanDerWaalsContact C-N 3.34Å; K167-G169 PolarHBondContact O-N 3.44Å; K167-R170 PolarHBondContact O-N 3.25Å; K167-M171 WeakPolarHBondContact O-CG 3.24Å; K167-M171 PolarHBondContact O-N 2.76Å; K167-S237 WeakPolarHBondContact CE-OG 3.48Å; K167-S237 PolarHBondContact NZ-OG 2.52Å
168	A	97.3	Very high	94.1	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-43.1	177.3	0	0	0	0	0	111.9	Q164 N165 M171 A172 L240	Q164-A168 PolarHBondContact O-N 2.81Å; N165-A168 PolarHBondContact O-N 2.83Å; A168-M171 CarbonylContact O-C 3.58Å; A168-M171 PolarHBondContact O-N 3.44Å; A168-M171 VanDerWaalsContact O-N 3.17Å; A168-A172 PolarHBondContact O-N 3.25Å; A168-L240 HydrophobicContact CB-CD2 3.77Å
169	G	98.1	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-49.5	172.6	0	0	0	0	0	113.4	A91 A95 N165 L166 K167 M171 A172 L173	A91-G169 WeakPolarHBondContact O-CA 3.46Å; A95-G169 WeakPolarHBondContact CB-O 3.3Å; N165-G169 PolarHBondContact O-N 3.48Å; L166-G169 PolarHBondContact O-N 2.88Å; K167-G169 VanDerWaalsContact C-N 3.34Å; K167-G169 PolarHBondContact O-N 3.44Å; G169-M171 VanDerWaalsContact C-N 3.3Å; G169-M171 PolarHBondContact O-N 3.17Å; G169-A172 WeakPolarHBondContact O-CB 3.36Å; G169-A172 PolarHBondContact O-N 2.79Å; G169-A172 VanDerWaalsContact O-N 3.17Å; G169-L173 PolarHBondContact O-N 2.96Å
170	R	97.8	Very high	94.2	Very high	20 Å²	20	44.2 Å²	44.2	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-35.5	174.3	-75.6	-166.4	-59.8	-100.3	0.8	113	S94 L139 R143 L166 K167 K174	S94-R170 WeakPolarHBondContact OG-CG 3.33Å; L139-R170 HydrophobicContact CD2-CB 3.68Å; L139-R170 HydrophobicContact CD2-CG 4.03Å; L139-R170 WeakPolarHBondContact CD2-O 3.33Å; L139-R170 VanDerWaalsContact O-CD 3.28Å; L139-R170 WeakPolarHBondContact O-CD 3.27Å; R143-R170 VanDerWaalsContact CB-NH1 3.3Å; L166-R170 PolarHBondContact O-N 3.1Å; L166-R170 VanDerWaalsContact O-N 3.1Å; K167-R170 PolarHBondContact O-N 3.25Å; R170-K174 PolarHBondContact O-N 2.86Å
171	M	96.8	Very high	94.2	Very high	44 Å²	44	45.3 Å²	45.3	22%	0.217	21%	0.206	C	C	.	.	H	α-helix	trans	-71.9	-31.3	175.8	-67.9	-52.7	95.9	0	0	112	K167 A168 G169 K174 K175 S237 A238	K167-M171 WeakPolarHBondContact O-CG 3.24Å; K167-M171 PolarHBondContact O-N 2.76Å; A168-M171 CarbonylContact O-C 3.58Å; A168-M171 PolarHBondContact O-N 3.44Å; A168-M171 VanDerWaalsContact O-N 3.17Å; G169-M171 VanDerWaalsContact C-N 3.3Å; G169-M171 PolarHBondContact O-N 3.17Å; M171-K174 HydrophobicContact CE-CD 3.92Å; M171-K174 PolarHBondContact O-N 2.79Å; M171-K174 HydrophobicContact SD-CD 4.15Å; M171-K175 WeakPolarHBondContact O-CB 3.33Å; M171-K175 WeakPolarHBondContact O-CG 3.33Å; M171-K175 PolarHBondContact O-N 3.35Å; M171-S237 WeakPolarHBondContact CG-O 3.24Å; M171-A238 HydrophobicContact CB-CB 4.01Å
172	A	97.6	Very high	94.1	Very high	2 Å²	2	51 Å²	51	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-47	173.5	0	0	0	0	0	110.9	A168 G169 K174 K175 T176 I205 L209	A168-A172 PolarHBondContact O-N 3.25Å; G169-A172 WeakPolarHBondContact O-CB 3.36Å; G169-A172 PolarHBondContact O-N 2.79Å; G169-A172 VanDerWaalsContact O-N 3.17Å; A172-K174 VanDerWaalsContact C-N 3.29Å; A172-K174 PolarHBondContact O-N 3.09Å; A172-K175 PolarHBondContact O-N 2.95Å; A172-T176 WeakPolarHBondContact O-CG2 3.31Å; A172-T176 PolarHBondContact O-N 2.94Å; A172-T176 PolarHBondContact O-OG1 3.49Å; A172-I205 HydrophobicContact CB-CG2 4.33Å; A172-L209 HydrophobicContact CB-CD1 4.17Å; A172-L209 HydrophobicContact CB-CD2 3.69Å; A172-L209 HydrophobicContact CB-CG 3.75Å
173	L	96.7	Very high	94.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-54.1	-44	173.9	174.3	63.8	0	0	0	112.5	A98 W99 L139 G169 T176 L177 P199 I205	A98-L173 HydrophobicContact CB-CD2 3.49Å; A98-L173 VanDerWaalsContact CB-CD2 3.49Å; W99-L173 HydrophobicContact CB-CD1 4.11Å; L139-L173 HydrophobicContact CD2-CD2 3.95Å; L139-L173 HydrophobicContact CG-CD2 4.43Å; G169-L173 PolarHBondContact O-N 2.96Å; L173-T176 PolarHBondContact O-OG1 2.75Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-P199 HydrophobicContact CD1-CB 3.92Å; L173-I205 HydrophobicContact CD1-CD1 3.71Å
174	K	94.9	Very high	93.9	Very high	112 Å²	112	50.4 Å²	50.4	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-38.7	177.4	-81.8	-174.2	156.9	-177.7	0	112.8	L139 R170 M171 A172 L177	L139-K174 HydrophobicContact CD1-CD 3.89Å; L139-K174 HydrophobicContact CD1-CG 3.73Å; L139-K174 HydrophobicContact CD2-CG 4.49Å; R170-K174 PolarHBondContact O-N 2.86Å; M171-K174 HydrophobicContact CE-CD 3.92Å; M171-K174 PolarHBondContact O-N 2.79Å; M171-K174 HydrophobicContact SD-CD 4.15Å; A172-K174 VanDerWaalsContact C-N 3.29Å; A172-K174 PolarHBondContact O-N 3.09Å; K174-L177 WeakPolarHBondContact O-CG 3.36Å
175	K	94.9	Very high	93.7	Very high	125 Å²	125	50.3 Å²	50.3	54%	0.543	24%	0.241	S	C	.	.	H	α-helix	trans	-75.1	-25.9	-176.7	-75.3	-174.7	175.3	-164.2	0	113	M171 A172 A238	M171-K175 WeakPolarHBondContact O-CB 3.33Å; M171-K175 WeakPolarHBondContact O-CG 3.33Å; M171-K175 PolarHBondContact O-N 3.35Å; A172-K175 PolarHBondContact O-N 2.95Å; K175-A238 HydrophobicContact CD-CB 4.35Å; K175-A238 VanDerWaalsContact NZ-CB 3.31Å
176	T	96	Very high	93.4	Very high	21 Å²	21	56.4 Å²	56.4	13%	0.129	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	21.2	178.1	62.7	0	0	0	0	112.2	A172 L173 R178 A200 I205 H208	A172-T176 WeakPolarHBondContact O-CG2 3.31Å; A172-T176 PolarHBondContact O-N 2.94Å; A172-T176 PolarHBondContact O-OG1 3.49Å; L173-T176 PolarHBondContact O-OG1 2.75Å; T176-R178 PolarHBondContact O-N 2.9Å; T176-A200 WeakPolarHBondContact O-CB 3.27Å; T176-A200 PolarHBondContact O-N 3.39Å; T176-I205 HydrophobicContact CG2-CG1 4.47Å; T176-I205 VanDerWaalsContact OG1-CG1 3.22Å; T176-I205 WeakPolarHBondContact OG1-CG1 3.44Å; T176-H208 HydrophobicContact CG2-CB 3.83Å
177	L	94.1	Very high	93.1	Very high	49 Å²	49	62.7 Å²	62.7	26%	0.257	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.6	173.1	-69	175	0	0	0	109.6	I135 L173 K174 K197 S198	I135-L177 HydrophobicContact CD1-CD2 3.55Å; I135-L177 HydrophobicContact CG1-CD1 4.4Å; I135-L177 HydrophobicContact CG1-CD2 3.88Å; I135-L177 HydrophobicContact CG2-CD1 4.27Å; I135-L177 HydrophobicContact CG2-CD2 4.26Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; K174-L177 WeakPolarHBondContact O-CG 3.36Å; L177-K197 HydrophobicContact CD1-CD 4.44Å; L177-S198 WeakPolarHBondContact CA-O 3.23Å; L177-S198 WeakPolarHBondContact CD2-O 3.39Å
178	R	91.8	Very high	92.7	Very high	99 Å²	99	61.3 Å²	61.3	37%	0.374	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.8	174.4	-69.3	-175.1	-67.6	-169.4	0.6	109.9	T176 K197 S198 A200 E201	T176-R178 PolarHBondContact O-N 2.9Å; R178-K197 CarbonylContact O-C 3.54Å; R178-K197 WeakPolarHBondContact O-CA 2.93Å; R178-S198 PolarHBondContact N-O 3.47Å; R178-S198 PolarHBondContact O-N 3.37Å; R178-A200 HydrophobicContact CG-CB 4.12Å; R178-E201 IonicContact NH2-OE1 3.91Å; R178-E201 PolarHBondContact NH2-OE1 2.89Å
179	K	89.3	Confident	92.4	Very high	103 Å²	103	63.5 Å²	63.5	45%	0.448	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	104.5	168.7	-178.6	-178.5	-179.8	176.2	0	106.7	W126 W128 C195 W196	W126-K179 VanDerWaalsContact CH2-NZ 3.31Å; W128-K179 HydrophobicContact CH2-CD 4.43Å; K179-C195 HydrophobicContact CD-CB 4.37Å; K179-C195 WeakPolarHBondContact CE-SG 3.42Å; K179-C195 HydrophobicContact CG-CB 4.06Å; K179-W196 WeakPolarHBondContact CA-O 3.44Å
180	D	86.6	Confident	92.1	Very high	62 Å²	62	66.9 Å²	66.9	33%	0.332	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145.6	171.8	-64.9	-22.8	0	0	0	108.6	C195 W196 S198	D180-C195 CarbonylContact O-C 3.58Å; D180-C195 WeakPolarHBondContact O-CA 3.5Å; D180-W196 HydrophobicContact CB-CZ2 4.25Å; D180-W196 PolarHBondContact N-O 3.48Å; D180-W196 PolarHBondContact O-N 3.18Å; D180-S198 WeakPolarHBondContact OD2-CB 2.96Å; D180-S198 PolarHBondContact OD2-OG 3.34Å
181	C	89	Confident	91.5	Very high	53 Å²	53	73.2 Å²	73.2	36%	0.358	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.3	177.9	-57.6	0	0	0	0	110.3	K193 T194 C195	C181-K193 HydrophobicContact CB-CD 4.27Å; C181-T194 CarbonylContact C-O 3.45Å; C181-T194 VanDerWaalsContact CA-O 3.25Å; C181-T194 WeakPolarHBondContact CA-O 3.41Å; C181-C195 HydrophobicContact CB-CB 4.06Å; C181-C195 WeakPolarHBondContact CB-SG 3.42Å; C181-C195 WeakPolarHBondContact SG-CB 3.22Å; C181-C195 CovalentContact SG-SG 2.04Å; C181-C195 PolarHBondContact SG-SG 3.3Å
182	K	88.4	Confident	91.1	Very high	126 Å²	126	76.2 Å²	76.2	55%	0.548	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.1	166.4	-175	170.7	-178.7	179.2	0	109.4	H184 K193 T194 W196	K182-H184 PolarHBondContact O-CD2 3.38Å; K182-H184 VanDerWaalsContact O-CD2 3.25Å; K182-K193 CarbonylContact O-C 3.36Å; K182-K193 WeakPolarHBondContact O-CA 3.48Å; K182-K193 WeakPolarHBondContact O-CB 3.47Å; K182-T194 PolarHBondContact N-O 3.31Å; K182-T194 PolarHBondContact O-N 2.99Å; K182-W196 HydrophobicContact CB-CH2 3.75Å; K182-W196 HydrophobicContact CB-CZ3 3.83Å
183	C	91.8	Very high	90.6	Very high	38 Å²	38	79.8 Å²	79.8	26%	0.257	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.4	177.6	-59.3	0	0	0	0	110	C190	C183-C190 HydrophobicContact CB-CB 3.87Å; C183-C190 WeakPolarHBondContact CB-SG 3.36Å; C183-C190 VanDerWaalsContact SG-CA 3.51Å; C183-C190 WeakPolarHBondContact SG-CB 3.4Å; C183-C190 CovalentContact SG-SG 2.03Å; C183-C190 PolarHBondContact SG-SG 3.43Å
184	H	89.2	Confident	90	Very high	100 Å²	100	81.8 Å²	81.8	46%	0.463	44%	0.443	S	S	.	.			trans	-130.6	7.7	-172.4	-61.8	-75	0	0	0	112.8	K182 L192 T194	K182-H184 PolarHBondContact O-CD2 3.38Å; K182-H184 VanDerWaalsContact O-CD2 3.25Å; H184-L192 PolarHBondContact N-O 3.08Å; H184-T194 PolarHBondContact CD2-OG1 3.05Å; H184-T194 PolarHBondContact NE2-OG1 3.34Å
185	G	87.5	Confident	89.7	Confident	15 Å²	15	76.5 Å²	76.5	16%	0.155	42%	0.42	C	S	.	.	S	Bend	trans	-72.8	167.8	174.4	0	0	0	0	0	112.4	S187 G188 S189	G185-S187 PolarHBondContact O-N 3.27Å; G185-G188 PolarHBondContact O-N 3.4Å; G185-S189 WeakPolarHBondContact CA-O 3.45Å; G185-S189 PolarHBondContact N-O 3.22Å; G185-S189 PolarHBondContact O-N 3.25Å
186	V	91.6	Very high	89.2	Confident	131 Å²	131	74.4 Å²	74.4	79%	0.794	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-51.9	133.9	178.5	-175.7	0	0	0	0	110.1	G188 S189	V186-G188 PolarHBondContact O-N 3.35Å; V186-G188 VanDerWaalsContact O-N 3.12Å; V186-S189 VanDerWaalsContact O-CB 3.24Å; V186-S189 WeakPolarHBondContact O-CB 3.46Å; V186-S189 PolarHBondContact O-N 2.59Å
187	S	89.3	Confident	88.8	Confident	132 Å²	132	79 Å²	79	92%	0.923	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	54.5	27.5	-178	-55.3	0	0	0	0	115.3	G185	G185-S187 PolarHBondContact O-N 3.27Å
188	G	88.7	Confident	88.6	Confident	52 Å²	52	77.3 Å²	77.3	54%	0.536	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	87.6	9.4	-179.2	0	0	0	0	0	114.6	G185 V186	G185-G188 PolarHBondContact O-N 3.4Å; V186-G188 PolarHBondContact O-N 3.35Å; V186-G188 VanDerWaalsContact O-N 3.12Å
189	S	90.4	Very high	88.6	Confident	50 Å²	50	73.4 Å²	73.4	35%	0.35	41%	0.406	S	S	.	.			trans	-54.9	141	175.5	171	0	0	0	0	112.4	G185 V186 Q191	G185-S189 WeakPolarHBondContact CA-O 3.45Å; G185-S189 PolarHBondContact N-O 3.22Å; G185-S189 PolarHBondContact O-N 3.25Å; V186-S189 VanDerWaalsContact O-CB 3.24Å; V186-S189 WeakPolarHBondContact O-CB 3.46Å; V186-S189 PolarHBondContact O-N 2.59Å; S189-Q191 PolarHBondContact OG-N 3.48Å
190	C	90.8	Very high	88.8	Confident	70 Å²	70	68.6 Å²	68.6	47%	0.473	39%	0.386	S	S	.	.	S	Bend	trans	-92.9	11.9	179.6	-68	0	0	0	0	114.3	C183 L192	C183-C190 HydrophobicContact CB-CB 3.87Å; C183-C190 WeakPolarHBondContact CB-SG 3.36Å; C183-C190 VanDerWaalsContact SG-CA 3.51Å; C183-C190 WeakPolarHBondContact SG-CB 3.4Å; C183-C190 CovalentContact SG-SG 2.03Å; C183-C190 PolarHBondContact SG-SG 3.43Å; C190-L192 VanDerWaalsContact C-N 3.25Å; C190-L192 PolarHBondContact O-N 3.25Å
191	Q	86.7	Confident	89.3	Confident	154 Å²	154	70 Å²	70	72%	0.72	39%	0.39	S	S	*	.	S	Bend	trans	-60.5	-37.9	175	-171.5	173.2	3.1	0	0	111.6	S189	S189-Q191 PolarHBondContact OG-N 3.48Å
192	L	87.1	Confident	89.7	Confident	107 Å²	107	67.6 Å²	67.6	56%	0.56	37%	0.374	S	S	*	.	S	Bend	trans	-108.5	123	165.9	-67.5	171.3	0	0	0	108.8	H184 C190	H184-L192 PolarHBondContact N-O 3.08Å; C190-L192 VanDerWaalsContact C-N 3.25Å; C190-L192 PolarHBondContact O-N 3.25Å
193	K	87.8	Confident	90.1	Very high	77 Å²	77	65.8 Å²	65.8	34%	0.335	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.9	177.4	65.8	-171.6	176	-167.1	0	112.8	W126 K127 C181 K182	W126-K193 VanDerWaalsContact CA-O 3.23Å; W126-K193 WeakPolarHBondContact CA-O 3.13Å; W126-K193 HydrophobicContact CB-CG 3.68Å; K127-K193 PolarHBondContact N-O 3.04Å; K127-K193 VanDerWaalsContact N-O 3.1Å; C181-K193 HydrophobicContact CB-CD 4.27Å; K182-K193 CarbonylContact O-C 3.36Å; K182-K193 WeakPolarHBondContact O-CA 3.48Å; K182-K193 WeakPolarHBondContact O-CB 3.47Å
194	T	84.3	Confident	90.4	Very high	42 Å²	42	67.7 Å²	67.7	26%	0.258	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.8	173.5	-54.2	0	0	0	0	108.4	K127 C181 K182 H184 W196	K127-T194 WeakPolarHBondContact O-CA 3.35Å; C181-T194 CarbonylContact C-O 3.45Å; C181-T194 VanDerWaalsContact CA-O 3.25Å; C181-T194 WeakPolarHBondContact CA-O 3.41Å; K182-T194 PolarHBondContact N-O 3.31Å; K182-T194 PolarHBondContact O-N 2.99Å; H184-T194 PolarHBondContact CD2-OG1 3.05Å; H184-T194 PolarHBondContact NE2-OG1 3.34Å; T194-W196 WeakPolarHBondContact O-CZ3 3.33Å
195	C	87.8	Confident	90.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.1	-177.2	-57.2	0	0	0	0	112.3	W126 K127 G129 K179 D180 C181	W126-C195 HydrophobicContact CE3-CB 4.05Å; W126-C195 HydrophobicContact CZ3-CB 4.31Å; K127-C195 PolarHBondContact O-N 3.49Å; G129-C195 PolarHBondContact N-O 2.87Å; K179-C195 HydrophobicContact CD-CB 4.37Å; K179-C195 WeakPolarHBondContact CE-SG 3.42Å; K179-C195 HydrophobicContact CG-CB 4.06Å; D180-C195 CarbonylContact O-C 3.58Å; D180-C195 WeakPolarHBondContact O-CA 3.5Å; C181-C195 HydrophobicContact CB-CB 4.06Å; C181-C195 WeakPolarHBondContact CB-SG 3.42Å; C181-C195 WeakPolarHBondContact SG-CB 3.22Å; C181-C195 CovalentContact SG-SG 2.04Å; C181-C195 PolarHBondContact SG-SG 3.3Å
196	W	85.8	Confident	91.4	Very high	81 Å²	81	62.2 Å²	62.2	31%	0.307	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	160.3	176.2	58.7	88.6	0	0	0	111.4	G129 K179 D180 K182 T194	G129-W196 WeakPolarHBondContact O-CB 3.02Å; K179-W196 WeakPolarHBondContact CA-O 3.44Å; D180-W196 HydrophobicContact CB-CZ2 4.25Å; D180-W196 PolarHBondContact N-O 3.48Å; D180-W196 PolarHBondContact O-N 3.18Å; K182-W196 HydrophobicContact CB-CH2 3.75Å; K182-W196 HydrophobicContact CB-CZ3 3.83Å; T194-W196 WeakPolarHBondContact O-CZ3 3.33Å
197	K	87.5	Confident	91.6	Very high	118 Å²	118	60.7 Å²	60.7	51%	0.513	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.7	171.3	-68.2	-176.9	-178.3	175.8	0	109.7	W128 L177 R178	W128-K197 HydrophobicContact CZ3-CG 4.37Å; L177-K197 HydrophobicContact CD1-CD 4.44Å; R178-K197 CarbonylContact O-C 3.54Å; R178-K197 WeakPolarHBondContact O-CA 2.93Å
198	S	88.8	Confident	92.1	Very high	13 Å²	13	56.9 Å²	56.9	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.9	177.3	67.7	0	0	0	0	111.2	L177 R178 D180 A200	L177-S198 WeakPolarHBondContact CA-O 3.23Å; L177-S198 WeakPolarHBondContact CD2-O 3.39Å; R178-S198 PolarHBondContact N-O 3.47Å; R178-S198 PolarHBondContact O-N 3.37Å; D180-S198 WeakPolarHBondContact OD2-CB 2.96Å; D180-S198 PolarHBondContact OD2-OG 3.34Å; S198-A200 PolarHBondContact O-N 3.42Å
199	P	91.6	Very high	92.5	Very high	17 Å²	17	54.5 Å²	54.5	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	135.4	165.8	-20.8	33.3	0	0	0	111	W99 A102 I135 L173	W99-P199 VanDerWaalsContact CD1-CB 3.49Å; A102-P199 HydrophobicContact CB-CG 3.94Å; I135-P199 HydrophobicContact CD1-CG 3.64Å; L173-P199 HydrophobicContact CD1-CB 3.92Å
200	A	94.3	Very high	92.8	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-61.3	164.7	164.6	0	0	0	0	0	112.2	W99 T176 R178 S198 E204	W99-A200 PolarHBondContact NE1-O 3.38Å; T176-A200 WeakPolarHBondContact O-CB 3.27Å; T176-A200 PolarHBondContact O-N 3.39Å; R178-A200 HydrophobicContact CG-CB 4.12Å; S198-A200 PolarHBondContact O-N 3.42Å; A200-E204 HydrophobicContact CB-CB 4.07Å
201	E	96	Very high	93.1	Very high	91 Å²	91	55.9 Å²	55.9	43%	0.425	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-57.7	144.1	169	-72.1	-44	128.2	0	0	109	K103 R178 R203 E204 I205	K103-E201 IonicContact NZ-OE2 2.97Å; R178-E201 IonicContact NH2-OE1 3.91Å; R178-E201 PolarHBondContact NH2-OE1 2.89Å; E201-R203 PolarHBondContact O-N 2.98Å; E201-R203 VanDerWaalsContact O-N 3.12Å; E201-E204 WeakPolarHBondContact O-CB 3.26Å; E201-E204 PolarHBondContact O-N 3.1Å; E201-I205 PolarHBondContact O-N 2.9Å
202	F	97.7	Very high	93.5	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-27.5	-171.2	-165.7	-112.7	0	0	0	112.6	E45 A46 E49 L92 A95 G96 W99 E204 I205 G206	E45-F202 HydrophobicContact CB-CD1 4.48Å; E45-F202 HydrophobicContact CG-CB 4.49Å; E45-F202 HydrophobicContact CG-CD1 3.71Å; E45-F202 HydrophobicContact CG-CE1 4.25Å; E45-F202 HydrophobicContact CG-CG 4.24Å; A46-F202 HydrophobicContact CB-CE1 4.38Å; A46-F202 HydrophobicContact CB-CZ 4.13Å; E49-F202 HydrophobicContact CB-CD1 3.67Å; E49-F202 HydrophobicContact CB-CE1 3.46Å; E49-F202 VanDerWaalsContact CB-CE1 3.46Å; E49-F202 HydrophobicContact CG-CD1 3.89Å; E49-F202 HydrophobicContact CG-CE1 3.85Å; L92-F202 HydrophobicContact CD1-CE1 4.02Å; L92-F202 HydrophobicContact CD1-CE2 4.41Å; L92-F202 HydrophobicContact CD1-CZ 3.63Å; L92-F202 HydrophobicContact CG-CE1 4.35Å; L92-F202 HydrophobicContact CG-CZ 4.04Å; A95-F202 HydrophobicContact CB-CE2 4.34Å; G96-F202 VanDerWaalsContact CA-CZ 3.47Å; W99-F202 HydrophobicContact CB-CD2 4.05Å; W99-F202 HydrophobicContact CB-CE2 4.34Å; W99-F202 HydrophobicContact CD2-CB 4.07Å; W99-F202 AromaticContact CD2-CD2 3.86Å; W99-F202 HydrophobicContact CD2-CD2 3.86Å; W99-F202 HydrophobicContact CD2-CG 4.27Å; W99-F202 HydrophobicContact CE3-CB 4.29Å; W99-F202 HydrophobicContact CE3-CD2 4.13Å; W99-F202 HydrophobicContact CE3-CG 4.32Å; W99-F202 AromaticContact CG-CD2 3.81Å; W99-F202 HydrophobicContact CG-CD2 3.81Å; W99-F202 HydrophobicContact CH2-CB 4.12Å; W99-F202 HydrophobicContact CZ2-CB 3.88Å; W99-F202 HydrophobicContact CZ3-CB 4.31Å; F202-E204 VanDerWaalsContact C-N 3.3Å; F202-E204 PolarHBondContact O-N 3.29Å; F202-I205 HydrophobicContact CD2-CB 4.29Å; F202-I205 HydrophobicContact CD2-CD1 4.02Å; F202-I205 HydrophobicContact CE2-CB 4.47Å; F202-I205 HydrophobicContact CE2-CG2 4.22Å; F202-I205 WeakPolarHBondContact O-CB 3.28Å; F202-I205 PolarHBondContact O-N 3.48Å; F202-G206 PolarHBondContact O-N 3.18Å
203	R	98	Very high	94	Very high	88 Å²	88	46.5 Å²	46.5	33%	0.332	21%	0.21	S	C	.	.	H	α-helix	trans	-54.3	-41.2	169.8	-179.4	57.7	55	71.2	3.2	113.5	E49 Y52 E201 G206 K207	E49-R203 VanDerWaalsContact OE1-CD 3.28Å; E49-R203 WeakPolarHBondContact OE1-CD 3.49Å; E49-R203 IonicContact OE1-NE 2.75Å; E49-R203 PolarHBondContact OE1-NE 2.92Å; E49-R203 IonicContact OE2-CZ 3.02Å; E49-R203 IonicContact OE2-NE 3.66Å; E49-R203 PolarHBondContact OE2-NE 3.36Å; E49-R203 IonicContact OE2-NH2 2.67Å; Y52-R203 VanDerWaalsContact CD1-NE 3.34Å; Y52-R203 VanDerWaalsContact CE1-NE 3.33Å; Y52-R203 VanDerWaalsContact CZ-CZ 3.45Å; Y52-R203 PolarHBondContact OH-NH1 3.4Å; E201-R203 PolarHBondContact O-N 2.98Å; E201-R203 VanDerWaalsContact O-N 3.12Å; R203-G206 PolarHBondContact O-N 3.15Å; R203-K207 WeakPolarHBondContact O-CG 3.06Å; R203-K207 PolarHBondContact O-N 3.12Å
204	E	97.9	Very high	94.3	Very high	77 Å²	77	46.5 Å²	46.5	36%	0.36	22%	0.22	S	C	.	.	H	α-helix	trans	-72.2	-34.5	179.9	-64	-53.3	127.1	0	0	111.5	A200 E201 F202 K207 H208	A200-E204 HydrophobicContact CB-CB 4.07Å; E201-E204 WeakPolarHBondContact O-CB 3.26Å; E201-E204 PolarHBondContact O-N 3.1Å; F202-E204 VanDerWaalsContact C-N 3.3Å; F202-E204 PolarHBondContact O-N 3.29Å; E204-K207 IonicContact OE1-NZ 3.74Å; E204-K207 PolarHBondContact OE1-NZ 2.02Å; E204-K207 IonicContact OE2-NZ 2.73Å; E204-H208 WeakPolarHBondContact O-CB 3.03Å; E204-H208 PolarHBondContact O-N 3.35Å
205	I	98.3	Very high	94.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-44.1	170.6	-64.3	167.8	0	0	0	110.4	A95 W99 A172 L173 T176 E201 F202 H208 L209	A95-I205 HydrophobicContact CB-CG2 3.79Å; W99-I205 HydrophobicContact CB-CD1 4.32Å; W99-I205 VanDerWaalsContact CD1-CD1 3.48Å; W99-I205 HydrophobicContact CG-CD1 4.11Å; A172-I205 HydrophobicContact CB-CG2 4.33Å; L173-I205 HydrophobicContact CD1-CD1 3.71Å; T176-I205 HydrophobicContact CG2-CG1 4.47Å; T176-I205 VanDerWaalsContact OG1-CG1 3.22Å; T176-I205 WeakPolarHBondContact OG1-CG1 3.44Å; E201-I205 PolarHBondContact O-N 2.9Å; F202-I205 HydrophobicContact CD2-CB 4.29Å; F202-I205 HydrophobicContact CD2-CD1 4.02Å; F202-I205 HydrophobicContact CE2-CB 4.47Å; F202-I205 HydrophobicContact CE2-CG2 4.22Å; F202-I205 WeakPolarHBondContact O-CB 3.28Å; F202-I205 PolarHBondContact O-N 3.48Å; I205-H208 PolarHBondContact O-N 3.12Å; I205-L209 HydrophobicContact CG2-CD1 4.14Å; I205-L209 PolarHBondContact O-N 2.92Å
206	G	98.2	Very high	95.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-49	175.4	0	0	0	0	0	112.5	F202 R203 H208 L209 K210	F202-G206 PolarHBondContact O-N 3.18Å; R203-G206 PolarHBondContact O-N 3.15Å; G206-H208 PolarHBondContact O-N 3.43Å; G206-L209 PolarHBondContact O-N 3.5Å; G206-K210 WeakPolarHBondContact O-CB 3.16Å; G206-K210 PolarHBondContact O-N 3.16Å
207	K	97.6	Very high	95.5	Very high	99 Å²	99	52.6 Å²	52.6	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-45.4	173.9	-72.7	174.4	-176.8	169.6	0	112	R203 E204 L209 K210 H211	R203-K207 WeakPolarHBondContact O-CG 3.06Å; R203-K207 PolarHBondContact O-N 3.12Å; E204-K207 IonicContact OE1-NZ 3.74Å; E204-K207 PolarHBondContact OE1-NZ 2.02Å; E204-K207 IonicContact OE2-NZ 2.73Å; K207-L209 PolarHBondContact O-N 2.03Å; K207-K210 PolarHBondContact O-N 3.38Å; K207-H211 PolarHBondContact O-N 2.96Å
208	H	97.8	Very high	95.7	Very high	53 Å²	53	50.2 Å²	50.2	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-46	177.6	-176.3	85.3	0	0	0	111.7	T176 E204 I205 G206 H211 K212	T176-H208 HydrophobicContact CG2-CB 3.83Å; E204-H208 WeakPolarHBondContact O-CB 3.03Å; E204-H208 PolarHBondContact O-N 3.35Å; I205-H208 PolarHBondContact O-N 3.12Å; G206-H208 PolarHBondContact O-N 3.43Å; H208-H211 PolarHBondContact O-N 3.35Å; H208-K212 WeakPolarHBondContact O-CG 3.43Å; H208-K212 PolarHBondContact O-N 3.12Å
209	L	98.2	Very high	95.7	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-68.8	-33.8	177.4	-75.3	171.6	0	0	0	112.4	F88 A91 L92 A95 A172 I205 G206 K207 H211 K212 L213	F88-L209 HydrophobicContact CD2-CB 4.15Å; F88-L209 HydrophobicContact CE2-CB 3.7Å; A91-L209 HydrophobicContact CB-CD1 4.43Å; A91-L209 HydrophobicContact CB-CD2 4.07Å; L92-L209 HydrophobicContact CB-CD1 4.23Å; L92-L209 HydrophobicContact CD1-CD1 3.78Å; A95-L209 HydrophobicContact CB-CD1 4.06Å; A172-L209 HydrophobicContact CB-CD1 4.17Å; A172-L209 HydrophobicContact CB-CD2 3.69Å; A172-L209 HydrophobicContact CB-CG 3.75Å; I205-L209 HydrophobicContact CG2-CD1 4.14Å; I205-L209 PolarHBondContact O-N 2.92Å; G206-L209 PolarHBondContact O-N 3.5Å; K207-L209 PolarHBondContact O-N 2.03Å; L209-H211 VanDerWaalsContact C-N 3.35Å; L209-K212 CarbonylContact O-C 3.52Å; L209-K212 WeakPolarHBondContact O-CB 3.39Å; L209-K212 PolarHBondContact O-N 3.06Å; L209-K212 VanDerWaalsContact O-N 3.16Å; L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 PolarHBondContact O-N 3.47Å
210	K	96.8	Very high	95	Very high	49 Å²	49	55.2 Å²	55.2	21%	0.213	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-39.9	174.6	-179	64.8	172.7	-165.4	0	111.2	Q53 M54 N57 F88 G206 K207 L213 S214	Q53-K210 HydrophobicContact CB-CD 4.44Å; Q53-K210 WeakPolarHBondContact O-CE 3.24Å; Q53-K210 PolarHBondContact O-NZ 3.42Å; M54-K210 HydrophobicContact SD-CD 4.25Å; M54-K210 PolarHBondContact SD-NZ 3.39Å; N57-K210 PolarHBondContact OD1-NZ 3.3Å; F88-K210 HydrophobicContact CE2-CB 4.29Å; G206-K210 WeakPolarHBondContact O-CB 3.16Å; G206-K210 PolarHBondContact O-N 3.16Å; K207-K210 PolarHBondContact O-N 3.38Å; K210-L213 HydrophobicContact CD-CD2 4.39Å; K210-L213 WeakPolarHBondContact O-CB 3.29Å; K210-L213 PolarHBondContact O-N 2.96Å; K210-S214 PolarHBondContact O-N 3.27Å
211	H	96.3	Very high	93.8	Very high	100 Å²	100	59.8 Å²	59.8	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-37.3	171.1	-175.7	81.8	0	0	0	112.1	K207 H208 L209 L213 S214 K215	K207-H211 PolarHBondContact O-N 2.96Å; H208-H211 PolarHBondContact O-N 3.35Å; L209-H211 VanDerWaalsContact C-N 3.35Å; H211-L213 VanDerWaalsContact C-N 3.28Å; H211-L213 PolarHBondContact O-N 2.93Å; H211-S214 PolarHBondContact O-N 3.02Å; H211-S214 PolarHBondContact O-OG 3.39Å; H211-K215 PolarHBondContact CE1-NZ 3.04Å; H211-K215 WeakPolarHBondContact NE2-CE 3.31Å; H211-K215 PolarHBondContact NE2-NZ 3.19Å
212	K	96.5	Very high	92.1	Very high	55 Å²	55	60.1 Å²	60.1	24%	0.239	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-32.1	172.7	-72.2	-69.2	179.8	-172.5	0	112.7	H208 L209 K215 A216 L240	H208-K212 WeakPolarHBondContact O-CG 3.43Å; H208-K212 PolarHBondContact O-N 3.12Å; L209-K212 CarbonylContact O-C 3.52Å; L209-K212 WeakPolarHBondContact O-CB 3.39Å; L209-K212 PolarHBondContact O-N 3.06Å; L209-K212 VanDerWaalsContact O-N 3.16Å; K212-K215 CarbonylContact O-C 3.53Å; K212-K215 PolarHBondContact O-N 3.42Å; K212-A216 PolarHBondContact O-N 3.24Å; K212-L240 HydrophobicContact CB-CD1 4.06Å; K212-L240 HydrophobicContact CB-CG 4.23Å
213	L	96.4	Very high	90.1	Very high	9 Å²	9	69.2 Å²	69.2	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-44	177.5	-176.7	62.1	0	0	0	111.4	M54 K84 F88 L209 K210 H211 K215 A216 L240	M54-L213 HydrophobicContact CE-CD2 4.32Å; M54-L213 HydrophobicContact SD-CD2 4.09Å; K84-L213 HydrophobicContact CD-CD1 4.44Å; K84-L213 WeakPolarHBondContact CE-O 3.3Å; K84-L213 HydrophobicContact CG-CD1 3.53Å; K84-L213 HydrophobicContact CG-CG 4.37Å; K84-L213 PolarHBondContact NZ-O 3.46Å; K84-L213 WeakPolarHBondContact O-CD1 3.33Å; F88-L213 HydrophobicContact CB-CD1 3.79Å; F88-L213 HydrophobicContact CB-CD2 3.8Å; F88-L213 HydrophobicContact CB-CG 4.27Å; F88-L213 HydrophobicContact CD1-CD2 4.35Å; F88-L213 HydrophobicContact CD2-CB 4.15Å; F88-L213 HydrophobicContact CD2-CD2 4.07Å; F88-L213 HydrophobicContact CG-CD2 3.82Å; L209-L213 WeakPolarHBondContact O-CB 3.47Å; L209-L213 PolarHBondContact O-N 3.47Å; K210-L213 HydrophobicContact CD-CD2 4.39Å; K210-L213 WeakPolarHBondContact O-CB 3.29Å; K210-L213 PolarHBondContact O-N 2.96Å; H211-L213 VanDerWaalsContact C-N 3.28Å; H211-L213 PolarHBondContact O-N 2.93Å; L213-K215 PolarHBondContact O-N 3.05Å; L213-A216 HydrophobicContact CD1-CB 4.48Å; L213-A216 VanDerWaalsContact O-CB 3.28Å; L213-A216 WeakPolarHBondContact O-CB 3.44Å; L213-A216 PolarHBondContact O-N 3.37Å; L213-L240 HydrophobicContact CB-CD1 4.2Å; L213-L240 HydrophobicContact CD1-CD1 4.35Å
214	S	94.3	Very high	88.2	Confident	77 Å²	77	67.5 Å²	67.5	54%	0.538	33%	0.33	S	S	.	.	H	α-helix	trans	-58.1	-35.1	178.8	64.7	0	0	0	0	111.8	K84 K210 H211	K84-S214 PolarHBondContact NZ-O 3.39Å; K210-S214 PolarHBondContact O-N 3.27Å; H211-S214 PolarHBondContact O-N 3.02Å; H211-S214 PolarHBondContact O-OG 3.39Å
215	K	94.7	Very high	86.3	Confident	143 Å²	143	68.8 Å²	68.8	62%	0.622	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	16.7	177.8	-57.4	177.1	177.9	174.3	0	114.5	H211 K212 L213	H211-K215 PolarHBondContact CE1-NZ 3.04Å; H211-K215 WeakPolarHBondContact NE2-CE 3.31Å; H211-K215 PolarHBondContact NE2-NZ 3.19Å; K212-K215 CarbonylContact O-C 3.53Å; K212-K215 PolarHBondContact O-N 3.42Å; L213-K215 PolarHBondContact O-N 3.05Å
216	A	95.2	Very high	84.4	Confident	12 Å²	12	73 Å²	73	10%	0.099	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-62.1	143.8	179.5	0	0	0	0	0	110.8	K84 K212 L213 L240 Y242	K84-A216 HydrophobicContact CG-CB 4.47Å; K212-A216 PolarHBondContact O-N 3.24Å; L213-A216 HydrophobicContact CD1-CB 4.48Å; L213-A216 VanDerWaalsContact O-CB 3.28Å; L213-A216 WeakPolarHBondContact O-CB 3.44Å; L213-A216 PolarHBondContact O-N 3.37Å; A216-L240 WeakPolarHBondContact CA-O 3.24Å; A216-L240 HydrophobicContact CB-CB 3.94Å; A216-Y242 HydrophobicContact CB-CD1 3.96Å; A216-Y242 HydrophobicContact CB-CE1 4.05Å
217	K	93.4	Very high	82.8	Confident	95 Å²	95	75.3 Å²	75.3	41%	0.413	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.5	-177.1	-67.2	-177.9	176.3	171.7	0	111.2	E239 L240 V241 Y242	K217-E239 VanDerWaalsContact CE-CD 3.49Å; K217-E239 WeakPolarHBondContact CE-OE1 3.23Å; K217-E239 WeakPolarHBondContact CE-OE2 3.4Å; K217-E239 IonicContact NZ-OE1 2.96Å; K217-E239 PolarHBondContact NZ-OE1 3.47Å; K217-E239 IonicContact NZ-OE2 3.76Å; K217-E239 PolarHBondContact NZ-OE2 2.57Å; K217-L240 PolarHBondContact N-O 2.91Å; K217-V241 HydrophobicContact CB-CG1 4.42Å; K217-V241 WeakPolarHBondContact O-CA 3.28Å; K217-Y242 WeakPolarHBondContact O-CD1 2.79Å; K217-Y242 PolarHBondContact O-N 3.5Å; K217-Y242 VanDerWaalsContact O-N 3.09Å
218	F	91.4	Very high	81.3	Confident	68 Å²	68	71.3 Å²	71.3	30%	0.298	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.6	167.8	-170.3	-106.1	0	0	0	109.4	L220 Y242 F243 H245	F218-L220 HydrophobicContact CD1-CD2 4.14Å; F218-L220 HydrophobicContact CD1-CG 4.49Å; F218-L220 HydrophobicContact CE1-CD2 3.93Å; F218-Y242 CarbonylContact C-O 3.37Å; F218-Y242 VanDerWaalsContact CA-O 3.31Å; F218-Y242 WeakPolarHBondContact CA-O 3.43Å; F218-Y242 HydrophobicContact CB-CE1 4.25Å; F218-Y242 HydrophobicContact CB-CE2 4.36Å; F218-Y242 AromaticContact CD2-CD2 3.73Å; F218-Y242 HydrophobicContact CD2-CD2 3.73Å; F218-Y242 AromaticContact CD2-CE2 3.41Å; F218-Y242 HydrophobicContact CD2-CE2 3.41Å; F218-Y242 VanDerWaalsContact CD2-CE2 3.41Å; F218-Y242 HydrophobicContact CD2-CG 4.48Å; F218-Y242 AromaticContact CD2-CZ 3.9Å; F218-Y242 HydrophobicContact CE2-CD2 4.33Å; F218-Y242 HydrophobicContact CE2-CE2 4.15Å; F218-Y242 HydrophobicContact CG-CE2 4.35Å; F218-F243 VanDerWaalsContact CE2-O 3.3Å; F218-F243 WeakPolarHBondContact CE2-O 3.22Å; F218-F243 VanDerWaalsContact CZ-O 3.29Å; F218-F243 WeakPolarHBondContact CZ-O 3.35Å; F218-H245 AromaticContact CZ-NE2 3.71Å
219	L	88.3	Confident	79.7	Confident	16 Å²	16	77.1 Å²	77.1	8%	0.084	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-99.3	120.4	173.7	-55.4	177.8	0	0	0	108.3	L157 V161 Q221 I231 L235 V241 Y242 F243	L157-L219 HydrophobicContact CD1-CD1 4.16Å; V161-L219 HydrophobicContact CG2-CD1 3.66Å; L219-Q221 PolarHBondContact O-N 2.81Å; L219-I231 HydrophobicContact CD1-CG2 3.85Å; L219-I231 HydrophobicContact CD2-CG2 3.95Å; L219-I231 HydrophobicContact CG-CG2 4.42Å; L219-L235 HydrophobicContact CD1-CD1 4.31Å; L219-L235 HydrophobicContact CD2-CD1 4.36Å; L219-L235 HydrophobicContact CD2-CD2 4.2Å; L219-V241 HydrophobicContact CD1-CB 3.87Å; L219-V241 HydrophobicContact CD1-CG1 4.38Å; L219-V241 HydrophobicContact CD1-CG2 4.03Å; L219-V241 HydrophobicContact CD2-CB 4.45Å; L219-V241 HydrophobicContact CD2-CG1 4.28Å; L219-V241 HydrophobicContact CG-CB 4.07Å; L219-V241 HydrophobicContact CG-CG1 4.44Å; L219-Y242 PolarHBondContact N-O 3.42Å; L219-F243 HydrophobicContact CB-CB 4.11Å; L219-F243 VanDerWaalsContact O-CB 3.3Å; L219-F243 WeakPolarHBondContact O-CB 3.28Å
220	L	78.3	Confident	78	Confident	120 Å²	120	83.1 Å²	83.1	63%	0.628	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-69.6	129.5	173.1	-67.7	165.4	0	0	0	109	F218 N222	F218-L220 HydrophobicContact CD1-CD2 4.14Å; F218-L220 HydrophobicContact CD1-CG 4.49Å; F218-L220 HydrophobicContact CE1-CD2 3.93Å; L220-N222 VanDerWaalsContact C-N 3.34Å; L220-N222 PolarHBondContact O-N 3.24Å; L220-N222 VanDerWaalsContact O-N 3.08Å
221	Q	68.7	Low	76.7	Confident	98 Å²	98	82.5 Å²	82.5	46%	0.458	41%	0.409	S	S	.	.			trans	-77.1	87.7	170.2	-64.3	-164.8	48.6	0	0	108.4	L157 L219 F243	L157-Q221 HydrophobicContact CD2-CG 3.56Å; L219-Q221 PolarHBondContact O-N 2.81Å; Q221-F243 HydrophobicContact CG-CD2 4.13Å; Q221-F243 VanDerWaalsContact NE2-CD2 3.26Å
222	N	60.9	Low	75.2	Confident	97 Å²	97	79.4 Å²	79.4	52%	0.519	40%	0.404	S	S	.	.			trans	-78.5	132.1	162	-71.9	-3.5	0	0	0	107.7	L220 S224 D227	L220-N222 VanDerWaalsContact C-N 3.34Å; L220-N222 PolarHBondContact O-N 3.24Å; L220-N222 VanDerWaalsContact O-N 3.08Å; N222-S224 PolarHBondContact O-N 2.8Å; N222-D227 HydrophobicContact CB-CB 4.3Å; N222-D227 WeakPolarHBondContact CB-OD2 3.48Å; N222-D227 PolarHBondContact ND2-OD2 2.93Å
223	H	54.3	Low	73.7	Confident	195 Å²	195	84.3 Å²	84.3	90%	0.903	43%	0.428	S	S	*	.	S	Bend	trans	-62.5	-4.7	-175	-69.3	-77.9	0	0	0	114.6	P225	H223-P225 WeakPolarHBondContact O-CD 3.45Å
224	S	57.8	Low	72.7	Confident	52 Å²	52	93 Å²	93	36%	0.364	47%	0.465	S	S	.	.			trans	-75.3	122.1	178.6	-174.3	0	0	0	0	111.6	N222 N226 D227	N222-S224 PolarHBondContact O-N 2.8Å; S224-N226 PolarHBondContact O-N 3.16Å; S224-N226 VanDerWaalsContact O-N 3.17Å; S224-N226 PolarHBondContact OG-N 3.25Å; S224-D227 WeakPolarHBondContact O-CB 3.37Å; S224-D227 PolarHBondContact O-N 3.46Å; S224-D227 VanDerWaalsContact O-N 3.09Å
225	P	58	Low	72	Confident	104 Å²	104	90.3 Å²	90.3	68%	0.675	45%	0.445	S	S	*	.	H	α-helix	trans	-58.5	-27.6	173.5	-23.6	34.1	0	0	0	113.2	H223	H223-P225 WeakPolarHBondContact O-CD 3.45Å
226	N	59.9	Low	71.3	Confident	90 Å²	90	92.4 Å²	92.4	48%	0.481	45%	0.449	S	S	.	.	H	α-helix	trans	-69.6	-36.6	177	-97.8	-6.2	0	0	0	112.1	S224 S228 R229 F230	S224-N226 PolarHBondContact O-N 3.16Å; S224-N226 VanDerWaalsContact O-N 3.17Å; S224-N226 PolarHBondContact OG-N 3.25Å; N226-S228 PolarHBondContact O-N 2.99Å; N226-S228 VanDerWaalsContact O-N 3.17Å; N226-R229 PolarHBondContact O-N 3.39Å; N226-F230 HydrophobicContact CB-CE2 4.3Å; N226-F230 WeakPolarHBondContact O-CD2 3.41Å; N226-F230 PolarHBondContact O-N 2.95Å
227	D	64.9	Low	70.6	Confident	47 Å²	47	94.1 Å²	94.1	25%	0.251	46%	0.46	S	S	.	.	H	α-helix	trans	-58.9	-34.8	-178.2	-78.3	5.6	0	0	0	111.6	N222 S224 R229 F230 I231	N222-D227 HydrophobicContact CB-CB 4.3Å; N222-D227 WeakPolarHBondContact CB-OD2 3.48Å; N222-D227 PolarHBondContact ND2-OD2 2.93Å; S224-D227 WeakPolarHBondContact O-CB 3.37Å; S224-D227 PolarHBondContact O-N 3.46Å; S224-D227 VanDerWaalsContact O-N 3.09Å; D227-R229 VanDerWaalsContact C-N 3.31Å; D227-R229 PolarHBondContact O-N 3.06Å; D227-F230 PolarHBondContact O-N 2.83Å; D227-I231 HydrophobicContact CB-CD1 4.42Å; D227-I231 WeakPolarHBondContact O-CB 3.37Å; D227-I231 WeakPolarHBondContact O-CD1 3.44Å; D227-I231 WeakPolarHBondContact O-CG1 3.37Å; D227-I231 PolarHBondContact O-N 3.29Å
228	S	65.8	Low	70.3	Confident	15 Å²	15	90.3 Å²	90.3	11%	0.105	45%	0.446	C	S	.	.	H	α-helix	trans	-57	-40.7	176	-73.6	0	0	0	0	113.1	I160 N226 G232	I160-S228 WeakPolarHBondContact CD1-O 3.5Å; N226-S228 PolarHBondContact O-N 2.99Å; N226-S228 VanDerWaalsContact O-N 3.17Å; S228-G232 PolarHBondContact O-N 2.87Å; S228-G232 VanDerWaalsContact O-N 3.15Å
229	R	63.1	Low	70.3	Confident	175 Å²	175	88.6 Å²	88.6	66%	0.66	44%	0.439	S	S	*	.	H	α-helix	trans	-70.4	-42.3	177.5	-66.1	-171.8	-157.5	168.8	6.5	111.5	N226 D227 I231 G232 Q233	N226-R229 PolarHBondContact O-N 3.39Å; D227-R229 VanDerWaalsContact C-N 3.31Å; D227-R229 PolarHBondContact O-N 3.06Å; R229-I231 VanDerWaalsContact C-N 3.34Å; R229-G232 PolarHBondContact O-N 3.33Å; R229-Q233 PolarHBondContact O-N 3.24Å
230	F	63.5	Low	70.7	Confident	129 Å²	129	88 Å²	88	57%	0.566	44%	0.436	S	S	*	.	H	α-helix	trans	-62.4	-41.5	176.7	-73.2	-74.8	0	0	0	111.9	N226 D227 G232 Q233 K234	N226-F230 HydrophobicContact CB-CE2 4.3Å; N226-F230 WeakPolarHBondContact O-CD2 3.41Å; N226-F230 PolarHBondContact O-N 2.95Å; D227-F230 PolarHBondContact O-N 2.83Å; F230-G232 VanDerWaalsContact C-N 3.32Å; F230-G232 PolarHBondContact O-N 2.91Å; F230-Q233 PolarHBondContact O-N 3.49Å; F230-K234 PolarHBondContact O-N 2.91Å
231	I	68.9	Low	71.5	Confident	36 Å²	36	82.2 Å²	82.2	19%	0.185	41%	0.406	C	S	.	.	H	α-helix	trans	-56.4	-47.9	173.7	-71.8	163.7	0	0	0	109.9	L219 D227 R229 Q233 K234 L235	L219-I231 HydrophobicContact CD1-CG2 3.85Å; L219-I231 HydrophobicContact CD2-CG2 3.95Å; L219-I231 HydrophobicContact CG-CG2 4.42Å; D227-I231 HydrophobicContact CB-CD1 4.42Å; D227-I231 WeakPolarHBondContact O-CB 3.37Å; D227-I231 WeakPolarHBondContact O-CD1 3.44Å; D227-I231 WeakPolarHBondContact O-CG1 3.37Å; D227-I231 PolarHBondContact O-N 3.29Å; R229-I231 VanDerWaalsContact C-N 3.34Å; I231-Q233 VanDerWaalsContact C-N 3.29Å; I231-Q233 PolarHBondContact O-N 3.46Å; I231-K234 PolarHBondContact O-N 3.47Å; I231-L235 HydrophobicContact CG2-CD1 3.84Å; I231-L235 WeakPolarHBondContact O-CD1 3.43Å; I231-L235 WeakPolarHBondContact O-CG 3.26Å; I231-L235 PolarHBondContact O-N 2.95Å
232	G	64.9	Low	72.7	Confident	34 Å²	34	79.2 Å²	79.2	35%	0.351	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-35.5	178.8	0	0	0	0	0	114.1	S228 R229 F230	S228-G232 PolarHBondContact O-N 2.87Å; S228-G232 VanDerWaalsContact O-N 3.15Å; R229-G232 PolarHBondContact O-N 3.33Å; F230-G232 VanDerWaalsContact C-N 3.32Å; F230-G232 PolarHBondContact O-N 2.91Å
233	Q	65.8	Low	74.2	Confident	158 Å²	158	74.9 Å²	74.9	74%	0.738	37%	0.367	S	S	*	.	H	α-helix	trans	-77.6	-36.3	-178.9	-69.3	179.2	5.4	0	0	113	R229 F230 I231 L235	R229-Q233 PolarHBondContact O-N 3.24Å; F230-Q233 PolarHBondContact O-N 3.49Å; I231-Q233 VanDerWaalsContact C-N 3.29Å; I231-Q233 PolarHBondContact O-N 3.46Å; Q233-L235 VanDerWaalsContact C-N 3.3Å; Q233-L235 PolarHBondContact O-N 2.89Å
234	K	74.3	Confident	76.1	Confident	192 Å²	192	68.4 Å²	68.4	84%	0.835	34%	0.337	S	S	*	.	H	α-helix	trans	-74.8	-19.8	-178.5	-165.6	171	-177.6	175	0	113.2	F230 I231 R236	F230-K234 PolarHBondContact O-N 2.91Å; I231-K234 PolarHBondContact O-N 3.47Å; K234-R236 PolarHBondContact O-N 3.3Å
235	L	79.2	Confident	77.8	Confident	21 Å²	21	73 Å²	73	11%	0.11	35%	0.352	C	S	.	.	S	Bend	trans	-74.2	124.4	-174.9	-75.6	167.9	0	0	0	112.8	Q164 L219 I231 Q233 S237 V241	Q164-L235 HydrophobicContact CG-CD1 4.27Å; L219-L235 HydrophobicContact CD1-CD1 4.31Å; L219-L235 HydrophobicContact CD2-CD1 4.36Å; L219-L235 HydrophobicContact CD2-CD2 4.2Å; I231-L235 HydrophobicContact CG2-CD1 3.84Å; I231-L235 WeakPolarHBondContact O-CD1 3.43Å; I231-L235 WeakPolarHBondContact O-CG 3.26Å; I231-L235 PolarHBondContact O-N 2.95Å; Q233-L235 VanDerWaalsContact C-N 3.3Å; Q233-L235 PolarHBondContact O-N 2.89Å; L235-S237 PolarHBondContact O-N 3.37Å; L235-V241 HydrophobicContact CD1-CG1 4.06Å; L235-V241 HydrophobicContact CD2-CG1 3.52Å; L235-V241 HydrophobicContact CG-CG1 4.41Å
236	R	81.3	Confident	79.5	Confident	187 Å²	187	70 Å²	70	71%	0.706	33%	0.334	S	S	*	.			trans	-66.2	138.9	174	-65.9	-178.8	174.2	-172.2	-3.3	109.4	Q164 K234 A238 E239	Q164-R236 PolarHBondContact NE2-O 2.78Å; K234-R236 PolarHBondContact O-N 3.3Å; R236-A238 PolarHBondContact O-N 2.95Å; R236-E239 HydrophobicContact CB-CG 3.99Å; R236-E239 PolarHBondContact O-N 3.42Å; R236-E239 VanDerWaalsContact O-N 3.17Å
237	S	79.2	Confident	81.3	Confident	48 Å²	48	67.1 Å²	67.1	34%	0.336	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.2	-173.3	-64.9	0	0	0	0	116.7	K167 M171 L235	K167-S237 WeakPolarHBondContact CE-OG 3.48Å; K167-S237 PolarHBondContact NZ-OG 2.52Å; M171-S237 WeakPolarHBondContact CG-O 3.24Å; L235-S237 PolarHBondContact O-N 3.37Å
238	A	88.6	Confident	82.7	Confident	14 Å²	14	68 Å²	68	12%	0.116	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	17.5	-174.1	0	0	0	0	0	113.5	M171 K175 R236	M171-A238 HydrophobicContact CB-CB 4.01Å; K175-A238 HydrophobicContact CD-CB 4.35Å; K175-A238 VanDerWaalsContact NZ-CB 3.31Å; R236-A238 PolarHBondContact O-N 2.95Å
239	E	91.7	Very high	84.1	Confident	33 Å²	33	67.5 Å²	67.5	15%	0.154	33%	0.326	C	S	.	.			trans	-99.4	138.3	176.3	-68.7	179	159.7	0	0	110.5	Q164 K217 R236	Q164-E239 PolarHBondContact NE2-O 3.28Å; K217-E239 VanDerWaalsContact CE-CD 3.49Å; K217-E239 WeakPolarHBondContact CE-OE1 3.23Å; K217-E239 WeakPolarHBondContact CE-OE2 3.4Å; K217-E239 IonicContact NZ-OE1 2.96Å; K217-E239 PolarHBondContact NZ-OE1 3.47Å; K217-E239 IonicContact NZ-OE2 3.76Å; K217-E239 PolarHBondContact NZ-OE2 2.57Å; R236-E239 HydrophobicContact CB-CG 3.99Å; R236-E239 PolarHBondContact O-N 3.42Å; R236-E239 VanDerWaalsContact O-N 3.17Å
240	L	96.3	Very high	85.6	Confident	2 Å²	2	60 Å²	60	1%	0.01	30%	0.3	C	S	.	.			trans	-84.2	141.1	168.8	-63	-180	0	0	0	109.4	A91 N165 A168 K212 L213 A216 K217	A91-L240 HydrophobicContact CB-CD2 3.4Å; N165-L240 HydrophobicContact CB-CD2 4.46Å; N165-L240 WeakPolarHBondContact OD1-CA 3.29Å; A168-L240 HydrophobicContact CB-CD2 3.77Å; K212-L240 HydrophobicContact CB-CD1 4.06Å; K212-L240 HydrophobicContact CB-CG 4.23Å; L213-L240 HydrophobicContact CB-CD1 4.2Å; L213-L240 HydrophobicContact CD1-CD1 4.35Å; A216-L240 WeakPolarHBondContact CA-O 3.24Å; A216-L240 HydrophobicContact CB-CB 3.94Å; K217-L240 PolarHBondContact N-O 2.91Å
241	V	95	Very high	87.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.3	-177.3	-61.5	0	0	0	0	111.4	S87 V161 Q164 N165 K217 L219 L235	S87-V241 VanDerWaalsContact CB-O 3.23Å; S87-V241 WeakPolarHBondContact CB-O 3.31Å; V161-V241 HydrophobicContact CB-CG2 4.31Å; V161-V241 HydrophobicContact CG1-CG2 4.18Å; V161-V241 HydrophobicContact CG2-CG2 4.18Å; Q164-V241 HydrophobicContact CB-CG2 3.95Å; Q164-V241 HydrophobicContact CG-CG1 4.25Å; Q164-V241 HydrophobicContact CG-CG2 3.66Å; N165-V241 PolarHBondContact ND2-O 2.93Å; N165-V241 PolarHBondContact OD1-N 2.82Å; N165-V241 PolarHBondContact OD1-O 2.04Å; K217-V241 HydrophobicContact CB-CG1 4.42Å; K217-V241 WeakPolarHBondContact O-CA 3.28Å; L219-V241 HydrophobicContact CD1-CB 3.87Å; L219-V241 HydrophobicContact CD1-CG1 4.38Å; L219-V241 HydrophobicContact CD1-CG2 4.03Å; L219-V241 HydrophobicContact CD2-CB 4.45Å; L219-V241 HydrophobicContact CD2-CG1 4.28Å; L219-V241 HydrophobicContact CG-CB 4.07Å; L219-V241 HydrophobicContact CG-CG1 4.44Å; L235-V241 HydrophobicContact CD1-CG1 4.06Å; L235-V241 HydrophobicContact CD2-CG1 3.52Å; L235-V241 HydrophobicContact CG-CG1 4.41Å
242	Y	94.5	Very high	88.3	Confident	35 Å²	35	61.1 Å²	61.1	14%	0.137	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164	178.1	72.8	-77.5	0	0	0	108.2	G82 K84 A216 K217 F218 L219 E244	G82-Y242 VanDerWaalsContact O-CB 3.31Å; G82-Y242 WeakPolarHBondContact O-CB 3.5Å; K84-Y242 HydrophobicContact CB-CD1 4.2Å; K84-Y242 HydrophobicContact CB-CD2 3.89Å; K84-Y242 HydrophobicContact CB-CE1 4.43Å; K84-Y242 HydrophobicContact CB-CE2 4.11Å; K84-Y242 HydrophobicContact CB-CG 3.94Å; K84-Y242 HydrophobicContact CD-CD1 4.45Å; K84-Y242 HydrophobicContact CD-CE1 3.98Å; K84-Y242 HydrophobicContact CD-CE2 4.48Å; K84-Y242 HydrophobicContact CG-CD1 4.16Å; K84-Y242 HydrophobicContact CG-CE1 4.21Å; K84-Y242 HydrophobicContact CG-CG 4.4Å; A216-Y242 HydrophobicContact CB-CD1 3.96Å; A216-Y242 HydrophobicContact CB-CE1 4.05Å; K217-Y242 WeakPolarHBondContact O-CD1 2.79Å; K217-Y242 PolarHBondContact O-N 3.5Å; K217-Y242 VanDerWaalsContact O-N 3.09Å; F218-Y242 CarbonylContact C-O 3.37Å; F218-Y242 VanDerWaalsContact CA-O 3.31Å; F218-Y242 WeakPolarHBondContact CA-O 3.43Å; F218-Y242 HydrophobicContact CB-CE1 4.25Å; F218-Y242 HydrophobicContact CB-CE2 4.36Å; F218-Y242 AromaticContact CD2-CD2 3.73Å; F218-Y242 HydrophobicContact CD2-CD2 3.73Å; F218-Y242 AromaticContact CD2-CE2 3.41Å; F218-Y242 HydrophobicContact CD2-CE2 3.41Å; F218-Y242 VanDerWaalsContact CD2-CE2 3.41Å; F218-Y242 HydrophobicContact CD2-CG 4.48Å; F218-Y242 AromaticContact CD2-CZ 3.9Å; F218-Y242 HydrophobicContact CE2-CD2 4.33Å; F218-Y242 HydrophobicContact CE2-CE2 4.15Å; F218-Y242 HydrophobicContact CG-CE2 4.35Å; L219-Y242 PolarHBondContact N-O 3.42Å; Y242-E244 WeakPolarHBondContact CD2-O 3.48Å
243	F	92.1	Very high	89.6	Confident	5 Å²	5	61.1 Å²	61.1	2%	0.022	31%	0.305	C	S	.	.			trans	-146.3	0.1	-173.6	67.9	-90.2	0	0	0	114.1	G82 L157 M158 V161 F218 L219 Q221	G82-F243 VanDerWaalsContact CA-CZ 3.42Å; G82-F243 PolarHBondContact O-N 3.34Å; L157-F243 HydrophobicContact CD2-CB 3.95Å; L157-F243 HydrophobicContact CD2-CD1 4.18Å; L157-F243 HydrophobicContact CD2-CD2 3.84Å; L157-F243 HydrophobicContact CD2-CE2 4.43Å; L157-F243 HydrophobicContact CD2-CG 3.7Å; L157-F243 HydrophobicContact CG-CD1 4.21Å; L157-F243 HydrophobicContact CG-CG 4.23Å; M158-F243 HydrophobicContact CG-CE1 3.95Å; M158-F243 HydrophobicContact CG-CZ 3.53Å; M158-F243 HydrophobicContact SD-CE1 3.19Å; M158-F243 WeakPolarHBondContact SD-CE1 3.35Å; M158-F243 HydrophobicContact SD-CZ 3.16Å; M158-F243 WeakPolarHBondContact SD-CZ 3.41Å; V161-F243 HydrophobicContact CB-CD1 4.18Å; V161-F243 HydrophobicContact CB-CE1 4.24Å; V161-F243 HydrophobicContact CG1-CD1 4.1Å; V161-F243 HydrophobicContact CG1-CE1 4.19Å; V161-F243 HydrophobicContact CG2-CD1 3.53Å; V161-F243 HydrophobicContact CG2-CE1 4Å; F218-F243 VanDerWaalsContact CE2-O 3.3Å; F218-F243 WeakPolarHBondContact CE2-O 3.22Å; F218-F243 VanDerWaalsContact CZ-O 3.29Å; F218-F243 WeakPolarHBondContact CZ-O 3.35Å; L219-F243 HydrophobicContact CB-CB 4.11Å; L219-F243 VanDerWaalsContact O-CB 3.3Å; L219-F243 WeakPolarHBondContact O-CB 3.28Å; Q221-F243 HydrophobicContact CG-CD2 4.13Å; Q221-F243 VanDerWaalsContact NE2-CD2 3.26Å
244	E	92.5	Very high	90.9	Very high	60 Å²	60	58.9 Å²	58.9	28%	0.28	31%	0.307	S	S	.	.	S	Bend	trans	-118.9	141.8	169.1	-74.2	169.4	-169.1	0	0	109.1	G82 Y83 Y242 S246	G82-E244 PolarHBondContact N-OE2 2.72Å; G82-E244 PolarHBondContact O-N 2.88Å; Y83-E244 HydrophobicContact CD1-CB 3.79Å; Y83-E244 HydrophobicContact CE1-CB 3.91Å; Y242-E244 WeakPolarHBondContact CD2-O 3.48Å; E244-S246 PolarHBondContact O-N 3.29Å
245	H	94	Very high	91.7	Very high	147 Å²	147	54.5 Å²	54.5	68%	0.681	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-67	132.4	172.8	-70.4	-78.2	0	0	0	109.9	Y83 F218	Y83-H245 WeakPolarHBondContact CD1-O 3.11Å; Y83-H245 WeakPolarHBondContact CE1-O 3.23Å; F218-H245 AromaticContact CZ-NE2 3.71Å
246	S	95.1	Very high	92.2	Very high	41 Å²	41	53.6 Å²	53.6	29%	0.287	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-66.3	141.4	177.8	-58.8	0	0	0	0	110.9	K84 E85 E244	K84-S246 PolarHBondContact N-OG 2.75Å; E85-S246 WeakPolarHBondContact OE2-CB 3.42Å; E85-S246 PolarHBondContact OE2-OG 3.18Å; E244-S246 PolarHBondContact O-N 3.29Å
247	P	95.9	Very high	92.6	Very high	31 Å²	31	49.4 Å²	49.4	20%	0.201	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.2	172.1	173.6	30.8	-36.4	0	0	0	111.1	Y83 Y249 L253 I256	Y83-P247 HydrophobicContact CE2-CG 4.18Å; P247-Y249 VanDerWaalsContact C-N 3.27Å; P247-Y249 HydrophobicContact CG-CD1 4.1Å; P247-Y249 HydrophobicContact CG-CD2 4.49Å; P247-Y249 HydrophobicContact CG-CE1 3.74Å; P247-Y249 HydrophobicContact CG-CE2 4.16Å; P247-Y249 HydrophobicContact CG-CG 4.47Å; P247-Y249 WeakPolarHBondContact O-CD2 3.09Å; P247-Y249 WeakPolarHBondContact O-CE2 3.44Å; P247-Y249 PolarHBondContact O-N 3.43Å; P247-L253 HydrophobicContact CB-CD1 3.73Å; P247-L253 HydrophobicContact CG-CD1 3.67Å; P247-I256 HydrophobicContact CG-CD1 4.18Å
248	S	94.6	Very high	93.1	Very high	64 Å²	64	47.5 Å²	47.5	45%	0.448	25%	0.253	S	S	.	.			trans	-65.6	-28.7	-177.7	69.3	0	0	0	0	113.7	R58 C250	R58-S248 WeakPolarHBondContact CD-O 3.11Å; S248-C250 PolarHBondContact O-N 2.94Å; S248-C250 VanDerWaalsContact O-N 3.13Å; S248-C250 PolarHBondContact OG-N 3.3Å
249	Y	95.4	Very high	93.2	Very high	6 Å²	6	48.7 Å²	48.7	2%	0.024	26%	0.258	C	S	.	.			trans	55.8	13.8	-170.1	-53.9	-79	0	0	0	114.7	W59 E85 P247 L253 I256 G260 T261	W59-Y249 HydrophobicContact CB-CD1 3.83Å; W59-Y249 HydrophobicContact CB-CD2 3.87Å; W59-Y249 HydrophobicContact CB-CE1 3.91Å; W59-Y249 HydrophobicContact CB-CE2 3.95Å; W59-Y249 HydrophobicContact CB-CG 3.81Å; W59-Y249 AromaticContact CD1-CD1 4Å; W59-Y249 AromaticContact CD1-CE1 3.85Å; W59-Y249 HydrophobicContact CG-CD1 4.21Å; W59-Y249 AromaticContact CG-CE1 3.99Å; W59-Y249 HydrophobicContact CG-CE1 3.99Å; E85-Y249 HydrophobicContact CG-CE2 4.14Å; E85-Y249 PolarHBondContact OE2-OH 3.22Å; P247-Y249 VanDerWaalsContact C-N 3.27Å; P247-Y249 HydrophobicContact CG-CD1 4.1Å; P247-Y249 HydrophobicContact CG-CD2 4.49Å; P247-Y249 HydrophobicContact CG-CE1 3.74Å; P247-Y249 HydrophobicContact CG-CE2 4.16Å; P247-Y249 HydrophobicContact CG-CG 4.47Å; P247-Y249 WeakPolarHBondContact O-CD2 3.09Å; P247-Y249 WeakPolarHBondContact O-CE2 3.44Å; P247-Y249 PolarHBondContact O-N 3.43Å; Y249-L253 HydrophobicContact CD1-CD1 4.22Å; Y249-I256 HydrophobicContact CD1-CD1 4.15Å; Y249-I256 HydrophobicContact CE1-CD1 3.6Å; Y249-G260 WeakPolarHBondContact O-CA 3.35Å; Y249-T261 WeakPolarHBondContact O-CG2 3.32Å
250	C	95.4	Very high	93.3	Very high	16 Å²	16	47.3 Å²	47.3	11%	0.108	25%	0.252	C	S	.	.	S	Bend	trans	-71.1	-46.6	-178.5	-68.6	0	0	0	0	111.7	S248 T261 C283 R285	S248-C250 PolarHBondContact O-N 2.94Å; S248-C250 VanDerWaalsContact O-N 3.13Å; S248-C250 PolarHBondContact OG-N 3.3Å; C250-T261 PolarHBondContact O-N 3.32Å; C250-T261 PolarHBondContact O-OG1 2.95Å; C250-C283 WeakPolarHBondContact CA-SG 3.34Å; C250-C283 HydrophobicContact CB-CB 3.66Å; C250-C283 WeakPolarHBondContact CB-SG 3.15Å; C250-C283 WeakPolarHBondContact SG-CB 3.49Å; C250-C283 CovalentContact SG-SG 2.02Å; C250-C283 PolarHBondContact SG-SG 3.31Å; C250-R285 PolarHBondContact O-NH1 3.42Å; C250-R285 VanDerWaalsContact O-NH1 3.16Å
251	E	94.6	Very high	93.2	Very high	102 Å²	102	47.2 Å²	47.2	48%	0.477	25%	0.252	S	S	.	.	S	Bend	trans	-99.7	158.1	175.9	-60.6	-48.9	129.9	0	0	110.7	R285	E251-R285 IonicContact OE1-CZ 3.86Å; E251-R285 IonicContact OE1-NH1 3.87Å; E251-R285 PolarHBondContact OE1-NH1 3.36Å
252	P	93.1	Very high	93.1	Very high	87 Å²	87	54.7 Å²	54.7	57%	0.565	28%	0.284	S	S	*	.			trans	-58.7	137.2	174.5	-21.1	32.4	0	0	0	111.8	S258	P252-S258 CarbonylContact C-O 3.58Å; P252-S258 VanDerWaalsContact CA-O 3.26Å; P252-S258 WeakPolarHBondContact CA-O 3.46Å
253	L	93.6	Very high	93.1	Very high	34 Å²	34	54.7 Å²	54.7	18%	0.178	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-122	100.2	179	-59.4	170.7	0	0	0	108.9	P247 Y249 Y255 I256 R257 S258	P247-L253 HydrophobicContact CB-CD1 3.73Å; P247-L253 HydrophobicContact CG-CD1 3.67Å; Y249-L253 HydrophobicContact CD1-CD1 4.22Å; L253-Y255 HydrophobicContact CB-CD1 4.29Å; L253-Y255 HydrophobicContact CB-CE1 3.83Å; L253-Y255 HydrophobicContact CD2-CE1 3.94Å; L253-Y255 HydrophobicContact CG-CE1 4.29Å; L253-Y255 PolarHBondContact O-N 2.72Å; L253-I256 HydrophobicContact CB-CD1 4.15Å; L253-I256 HydrophobicContact CB-CG1 3.68Å; L253-I256 HydrophobicContact CD1-CD1 3.82Å; L253-I256 HydrophobicContact CD1-CG1 4.29Å; L253-I256 PolarHBondContact O-N 2.8Å; L253-R257 WeakPolarHBondContact O-CA 3.45Å; L253-R257 PolarHBondContact O-N 3.04Å; L253-S258 PolarHBondContact N-O 3.13Å; L253-S258 PolarHBondContact O-N 3.16Å
254	S	91.8	Very high	93.1	Very high	111 Å²	111	55.8 Å²	55.8	78%	0.776	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-59.3	-41.4	-174.9	57.1	0	0	0	0	113.1	I256 R257	S254-I256 VanDerWaalsContact C-N 3.3Å; S254-I256 PolarHBondContact O-N 2.87Å; S254-R257 PolarHBondContact O-N 2.93Å; S254-R257 VanDerWaalsContact O-N 3.1Å
255	Y	91	Very high	93.1	Very high	101 Å²	101	56.7 Å²	56.7	40%	0.396	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.9	-28.8	-176.4	67.3	-90.9	0	0	0	113.9	P77 F81 L253	P77-Y255 VanDerWaalsContact CB-O 3.29Å; P77-Y255 WeakPolarHBondContact CB-O 3.33Å; F81-Y255 HydrophobicContact CE1-CD2 4.17Å; F81-Y255 HydrophobicContact CE1-CE2 4.18Å; F81-Y255 AromaticContact CE2-CD2 3.77Å; F81-Y255 HydrophobicContact CE2-CD2 3.77Å; F81-Y255 HydrophobicContact CE2-CE2 4.15Å; F81-Y255 AromaticContact CZ-CD2 3.46Å; F81-Y255 HydrophobicContact CZ-CD2 3.46Å; F81-Y255 VanDerWaalsContact CZ-CD2 3.46Å; F81-Y255 AromaticContact CZ-CE2 3.87Å; F81-Y255 HydrophobicContact CZ-CE2 3.87Å; L253-Y255 HydrophobicContact CB-CD1 4.29Å; L253-Y255 HydrophobicContact CB-CE1 3.83Å; L253-Y255 HydrophobicContact CD2-CE1 3.94Å; L253-Y255 HydrophobicContact CG-CE1 4.29Å; L253-Y255 PolarHBondContact O-N 2.72Å
256	I	90.3	Very high	93	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-106.6	1.7	172	51.6	169.7	0	0	0	114.1	I78 F81 Y83 P247 Y249 L253 S254 S258	I78-I256 HydrophobicContact CB-CG2 4.43Å; F81-I256 HydrophobicContact CD2-CG2 3.39Å; F81-I256 HydrophobicContact CE2-CG2 3.34Å; F81-I256 HydrophobicContact CG-CG2 4.37Å; F81-I256 HydrophobicContact CZ-CG2 4.29Å; Y83-I256 HydrophobicContact CE2-CD1 4.36Å; Y83-I256 HydrophobicContact CE2-CG2 4.22Å; P247-I256 HydrophobicContact CG-CD1 4.18Å; Y249-I256 HydrophobicContact CD1-CD1 4.15Å; Y249-I256 HydrophobicContact CE1-CD1 3.6Å; L253-I256 HydrophobicContact CB-CD1 4.15Å; L253-I256 HydrophobicContact CB-CG1 3.68Å; L253-I256 HydrophobicContact CD1-CD1 3.82Å; L253-I256 HydrophobicContact CD1-CG1 4.29Å; L253-I256 PolarHBondContact O-N 2.8Å; S254-I256 VanDerWaalsContact C-N 3.3Å; S254-I256 PolarHBondContact O-N 2.87Å; I256-S258 VanDerWaalsContact C-N 3.27Å; I256-S258 PolarHBondContact O-N 2.68Å
257	R	89.4	Confident	92.7	Very high	98 Å²	98	49.4 Å²	49.4	37%	0.37	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	38.4	-175.6	-59.7	177.5	175	-156	4	113.6	D64 Y70 P77 L253 S254	D64-R257 PolarHBondContact N-O 3.35Å; D64-R257 VanDerWaalsContact N-O 3.16Å; D64-R257 WeakPolarHBondContact OD1-CB 3.44Å; D64-R257 WeakPolarHBondContact OD2-CD 3.27Å; D64-R257 IonicContact OD2-CZ 3.78Å; D64-R257 IonicContact OD2-NE 3.42Å; D64-R257 IonicContact OD2-NH1 3.68Å; D64-R257 PolarHBondContact OD2-NH1 2.83Å; Y70-R257 PolarHBondContact OH-NH1 2.78Å; P77-R257 HydrophobicContact CG-CG 4.27Å; L253-R257 WeakPolarHBondContact O-CA 3.45Å; L253-R257 PolarHBondContact O-N 3.04Å; S254-R257 PolarHBondContact O-N 2.93Å; S254-R257 VanDerWaalsContact O-N 3.1Å
258	S	90.9	Very high	92.2	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.063	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-85.3	134.8	172.2	-172.5	0	0	0	0	110	P252 L253 I256 G260	P252-S258 CarbonylContact C-O 3.58Å; P252-S258 VanDerWaalsContact CA-O 3.26Å; P252-S258 WeakPolarHBondContact CA-O 3.46Å; L253-S258 PolarHBondContact N-O 3.13Å; L253-S258 PolarHBondContact O-N 3.16Å; I256-S258 VanDerWaalsContact C-N 3.27Å; I256-S258 PolarHBondContact O-N 2.68Å; S258-G260 VanDerWaalsContact C-N 3.35Å
259	V	90.2	Very high	91	Very high	39 Å²	39	55.6 Å²	55.6	24%	0.236	28%	0.284	C	S	.	.			trans	-85.6	-2	-175	-61.9	0	0	0	0	114.4
260	G	92.9	Very high	89.4	Confident	3 Å²	3	63 Å²	63	3%	0.031	32%	0.324	C	S	.	.			trans	73.2	-163.8	-172.2	0	0	0	0	0	113.1	Y249 S258	Y249-G260 WeakPolarHBondContact O-CA 3.35Å; S258-G260 VanDerWaalsContact C-N 3.35Å
261	T	94.5	Very high	87.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-117.7	-2.9	-174	52.2	0	0	0	0	115.4	R58 Y249 C250 R264 I281 R285 C322	R58-T261 HydrophobicContact CB-CG2 4.01Å; R58-T261 HydrophobicContact CG-CG2 4.24Å; Y249-T261 WeakPolarHBondContact O-CG2 3.32Å; C250-T261 PolarHBondContact O-N 3.32Å; C250-T261 PolarHBondContact O-OG1 2.95Å; T261-R264 VanDerWaalsContact O-CB 3.27Å; T261-R264 WeakPolarHBondContact O-CB 3.47Å; T261-R264 WeakPolarHBondContact O-CG 3.33Å; T261-R264 PolarHBondContact O-N 2.9Å; T261-I281 WeakPolarHBondContact CB-O 3.3Å; T261-I281 WeakPolarHBondContact CG2-O 3.4Å; T261-R285 PolarHBondContact OG1-NH1 2.81Å; T261-R285 PolarHBondContact OG1-NH2 2.97Å; T261-C322 WeakPolarHBondContact O-CB 2.98Å
262	K	94.1	Very high	85.9	Confident	157 Å²	157	65.8 Å²	65.8	68%	0.683	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	138.2	176.1	-177.3	162	-175.8	174.9	0	111.3	R264 L323	K262-R264 PolarHBondContact O-N 2.92Å; K262-R264 VanDerWaalsContact O-N 3.17Å; K262-L323 WeakPolarHBondContact CD-OXT 3.15Å; K262-L323 WeakPolarHBondContact CE-OXT 3.28Å; K262-L323 WeakPolarHBondContact CG-OXT 3.25Å
263	G	93.1	Very high	84.1	Confident	36 Å²	36	70.8 Å²	70.8	37%	0.371	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	1.5	-178.9	0	0	0	0	0	115.4	C322	G263-C322 WeakPolarHBondContact CA-O 2.97Å; G263-C322 PolarHBondContact N-O 2.72Å
264	R	92.7	Very high	82.8	Confident	28 Å²	28	74.9 Å²	74.9	11%	0.106	38%	0.381	C	S	.	.			trans	-73.5	138.3	-179.7	-71.9	-167.9	61.9	-170.9	-7.8	112.1	K55 N57 R58 T261 K262 C266 I281 K321 C322	K55-R264 PolarHBondContact O-NH2 2.02Å; N57-R264 PolarHBondContact O-NH1 3.27Å; N57-R264 PolarHBondContact O-NH2 3.33Å; R58-R264 VanDerWaalsContact C-NH1 3.26Å; R58-R264 PolarHBondContact O-NH1 3.34Å; T261-R264 VanDerWaalsContact O-CB 3.27Å; T261-R264 WeakPolarHBondContact O-CB 3.47Å; T261-R264 WeakPolarHBondContact O-CG 3.33Å; T261-R264 PolarHBondContact O-N 2.9Å; K262-R264 PolarHBondContact O-N 2.92Å; K262-R264 VanDerWaalsContact O-N 3.17Å; R264-C266 PolarHBondContact O-N 2.99Å; R264-I281 HydrophobicContact CB-CG2 4.21Å; R264-K321 CarbonylContact O-C 3.52Å; R264-K321 VanDerWaalsContact O-CA 3.31Å; R264-K321 WeakPolarHBondContact O-CA 3.33Å; R264-C322 PolarHBondContact O-N 2.83Å; R264-C322 PolarHBondContact O-SG 3.29Å; R264-C322 VanDerWaalsContact O-SG 3.37Å
265	V	91.8	Very high	82.2	Confident	78 Å²	78	75.1 Å²	75.1	47%	0.473	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.2	172.6	179.6	0	0	0	0	110.4	V319 S320 K321	V265-V319 HydrophobicContact CB-CG1 4.25Å; V265-V319 HydrophobicContact CG1-CG1 3.61Å; V265-V319 HydrophobicContact CG2-CG1 3.72Å; V265-S320 CarbonylContact C-O 3.6Å; V265-S320 WeakPolarHBondContact CA-O 3.47Å; V265-K321 HydrophobicContact CG2-CG 4.24Å
266	C	92.3	Very high	81.8	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.02	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	165.6	176.3	66.7	0	0	0	0	110.9	R264 C278 I281 S320	R264-C266 PolarHBondContact O-N 2.99Å; C266-C278 VanDerWaalsContact C-SG 3.51Å; C266-C278 HydrophobicContact CB-CB 3.79Å; C266-C278 WeakPolarHBondContact CB-SG 3.42Å; C266-C278 WeakPolarHBondContact SG-CA 3.32Å; C266-C278 WeakPolarHBondContact SG-CB 3.39Å; C266-C278 CovalentContact SG-SG 2.03Å; C266-C278 PolarHBondContact SG-SG 2.73Å; C266-I281 HydrophobicContact CB-CB 4.36Å; C266-I281 HydrophobicContact CB-CD1 4.24Å; C266-S320 PolarHBondContact N-O 2.92Å
267	N	89.1	Confident	81.8	Confident	32 Å²	32	72.3 Å²	72.3	17%	0.171	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-105.3	130.6	177.7	-62.3	-27.1	0	0	0	109.6	T272 L275 G276 D277 C278	N267-T272 HydrophobicContact CB-CG2 4.41Å; N267-T272 WeakPolarHBondContact CB-OG1 3.02Å; N267-T272 WeakPolarHBondContact ND2-CG2 3.27Å; N267-T272 PolarHBondContact ND2-OG1 2.97Å; N267-T272 VanDerWaalsContact ND2-OG1 3.11Å; N267-L275 PolarHBondContact ND2-O 3.37Å; N267-G276 PolarHBondContact N-O 2.88Å; N267-D277 WeakPolarHBondContact O-CA 3.31Å; N267-C278 PolarHBondContact O-N 3.49Å; N267-C278 PolarHBondContact O-SG 3.46Å; N267-C278 VanDerWaalsContact O-SG 3.37Å
268	V	85.4	Confident	81.9	Confident	25 Å²	25	67.7 Å²	67.7	15%	0.152	35%	0.349	C	S	.	.			trans	-69.9	140.4	170.7	-175.2	0	0	0	0	108.2	N270 Q271 Y287 S320	V268-N270 PolarHBondContact O-N 3.23Å; V268-Q271 PolarHBondContact O-N 3.42Å; V268-Y287 HydrophobicContact CG2-CD2 4.45Å; V268-Y287 HydrophobicContact CG2-CE2 3.66Å; V268-S320 VanDerWaalsContact CG2-OG 3.28Å; V268-S320 WeakPolarHBondContact CG2-OG 3.22Å
269	R	69.3	Low	81.8	Confident	201 Å²	201	75.3 Å²	75.3	76%	0.758	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-27.8	-169.9	-163	174.6	-179.9	-174.5	-0.9	115	Q271	R269-Q271 VanDerWaalsContact C-N 3.28Å; R269-Q271 PolarHBondContact O-N 2.82Å
270	N	61.5	Low	81.8	Confident	160 Å²	160	75.8 Å²	75.8	86%	0.856	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.7	177.8	-68.2	0.3	0	0	0	114.6	V268	V268-N270 PolarHBondContact O-N 3.23Å
271	Q	60.5	Low	81.7	Confident	127 Å²	127	75.8 Å²	75.8	59%	0.593	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-22.4	-173.5	-65	-179.2	1	0	0	114.4	V268 R269	V268-Q271 PolarHBondContact O-N 3.42Å; R269-Q271 VanDerWaalsContact C-N 3.28Å; R269-Q271 PolarHBondContact O-N 2.82Å
272	T	57	Low	81.7	Confident	50 Å²	50	75.8 Å²	75.8	31%	0.307	39%	0.388	S	S	.	.	S	Bend	trans	-152.2	124.6	178.5	54.1	0	0	0	0	111.4	N267 T274 L275	N267-T272 HydrophobicContact CB-CG2 4.41Å; N267-T272 WeakPolarHBondContact CB-OG1 3.02Å; N267-T272 WeakPolarHBondContact ND2-CG2 3.27Å; N267-T272 PolarHBondContact ND2-OG1 2.97Å; N267-T272 VanDerWaalsContact ND2-OG1 3.11Å; T272-T274 PolarHBondContact O-N 3.17Å; T272-L275 PolarHBondContact OG1-O 2.03Å; T272-L275 VanDerWaalsContact OG1-O 3.13Å
273	H	54.7	Low	81.8	Confident	192 Å²	192	70 Å²	70	89%	0.889	37%	0.367	S	S	*	.	S	Bend	trans	-63.1	14.3	-173.3	-79.2	-76.6	0	0	0	117.6
274	T	66.2	Low	81.7	Confident	121 Å²	121	71.2 Å²	71.2	74%	0.742	38%	0.379	S	S	*	.	S	Bend	trans	168.1	-28.9	167.8	32.1	0	0	0	0	112.9	T272 G276	T272-T274 PolarHBondContact O-N 3.17Å; T274-G276 PolarHBondContact O-N 3.25Å
275	L	78.8	Confident	81.8	Confident	116 Å²	116	73.5 Å²	73.5	61%	0.607	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	111.3	-171	-69.7	171.7	0	0	0	111.6	N267 T272	N267-L275 PolarHBondContact ND2-O 3.37Å; T272-L275 PolarHBondContact OG1-O 2.03Å; T272-L275 VanDerWaalsContact OG1-O 3.13Å
276	G	83.1	Confident	81.9	Confident	5 Å²	5	71.2 Å²	71.2	5%	0.052	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	31.1	172.9	0	0	0	0	0	114.8	N267 T274 C278 I281	N267-G276 PolarHBondContact N-O 2.88Å; T274-G276 PolarHBondContact O-N 3.25Å; G276-C278 PolarHBondContact O-N 2.84Å; G276-I281 VanDerWaalsContact CA-CD1 3.41Å; G276-I281 WeakPolarHBondContact O-CD1 3.47Å
277	D	90	Very high	82	Confident	38 Å²	38	75.6 Å²	75.6	20%	0.203	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-52.6	131.3	173	179.9	23.8	0	0	0	111.5	N267 K279 A280 I281	N267-D277 WeakPolarHBondContact O-CA 3.31Å; D277-K279 PolarHBondContact O-N 3.08Å; D277-K279 PolarHBondContact OD1-N 2.04Å; D277-K279 WeakPolarHBondContact OD2-CB 3.12Å; D277-A280 HydrophobicContact CB-CB 4.34Å; D277-A280 PolarHBondContact O-N 2.97Å; D277-I281 PolarHBondContact O-N 2.98Å
278	C	91.8	Very high	82.2	Confident	2 Å²	2	78.5 Å²	78.5	1%	0.014	41%	0.407	C	S	.	.	H	α-helix	trans	-55.5	-38.1	178.7	-68.7	0	0	0	0	112.3	C266 N267 G276 A280 C282 Y287	C266-C278 VanDerWaalsContact C-SG 3.51Å; C266-C278 HydrophobicContact CB-CB 3.79Å; C266-C278 WeakPolarHBondContact CB-SG 3.42Å; C266-C278 WeakPolarHBondContact SG-CA 3.32Å; C266-C278 WeakPolarHBondContact SG-CB 3.39Å; C266-C278 CovalentContact SG-SG 2.03Å; C266-C278 PolarHBondContact SG-SG 2.73Å; N267-C278 PolarHBondContact O-N 3.49Å; N267-C278 PolarHBondContact O-SG 3.46Å; N267-C278 VanDerWaalsContact O-SG 3.37Å; G276-C278 PolarHBondContact O-N 2.84Å; C278-A280 VanDerWaalsContact C-N 3.26Å; C278-A280 PolarHBondContact O-N 3.43Å; C278-C282 WeakPolarHBondContact O-CB 3.48Å; C278-C282 PolarHBondContact O-N 3.22Å; C278-C282 PolarHBondContact O-SG 2.67Å; C278-Y287 HydrophobicContact CB-CD1 3.44Å; C278-Y287 VanDerWaalsContact CB-CD1 3.44Å; C278-Y287 HydrophobicContact CB-CE1 3.82Å; C278-Y287 HydrophobicContact CB-CG 4.05Å
279	K	89.5	Confident	82.6	Confident	169 Å²	169	82.1 Å²	82.1	74%	0.735	42%	0.422	S	S	*	.	H	α-helix	trans	-60.8	-37.7	176.9	-170	175.9	-179.1	175.7	0	111.9	D277	D277-K279 PolarHBondContact O-N 3.08Å; D277-K279 PolarHBondContact OD1-N 2.04Å; D277-K279 WeakPolarHBondContact OD2-CB 3.12Å
280	A	88.9	Confident	83.8	Confident	49 Å²	49	76.6 Å²	76.6	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-79.6	-46.4	-178.4	0	0	0	0	0	113	R58 D277 C278	R58-A280 PolarHBondContact NE-O 3.36Å; R58-A280 PolarHBondContact NH2-O 2.98Å; D277-A280 HydrophobicContact CB-CB 4.34Å; D277-A280 PolarHBondContact O-N 2.97Å; C278-A280 VanDerWaalsContact C-N 3.26Å; C278-A280 PolarHBondContact O-N 3.43Å
281	I	92.2	Very high	85.3	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-71.3	-45.6	-178.7	-63.4	-177.7	0	0	0	110.7	T261 R264 C266 G276 D277 C283	T261-I281 WeakPolarHBondContact CB-O 3.3Å; T261-I281 WeakPolarHBondContact CG2-O 3.4Å; R264-I281 HydrophobicContact CB-CG2 4.21Å; C266-I281 HydrophobicContact CB-CB 4.36Å; C266-I281 HydrophobicContact CB-CD1 4.24Å; G276-I281 VanDerWaalsContact CA-CD1 3.41Å; G276-I281 WeakPolarHBondContact O-CD1 3.47Å; D277-I281 PolarHBondContact O-N 2.98Å; I281-C283 PolarHBondContact O-N 2.86Å
282	C	94.6	Very high	86.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	8.2	-171.9	-49.9	0	0	0	0	113.8	C278 G284 R285 G286 C322	C278-C282 WeakPolarHBondContact O-CB 3.48Å; C278-C282 PolarHBondContact O-N 3.22Å; C278-C282 PolarHBondContact O-SG 2.67Å; C282-G284 PolarHBondContact O-N 3.31Å; C282-G284 VanDerWaalsContact O-N 3.08Å; C282-R285 WeakPolarHBondContact O-CB 3.46Å; C282-R285 PolarHBondContact O-N 3Å; C282-G286 WeakPolarHBondContact CB-O 3.04Å; C282-C322 WeakPolarHBondContact CA-SG 3.05Å; C282-C322 HydrophobicContact CB-CB 3.52Å; C282-C322 WeakPolarHBondContact CB-SG 3.45Å; C282-C322 WeakPolarHBondContact SG-CA 2.91Å; C282-C322 WeakPolarHBondContact SG-CB 3.5Å; C282-C322 CovalentContact SG-SG 2.03Å; C282-C322 PolarHBondContact SG-SG 2.84Å
283	C	94.4	Very high	88.5	Confident	36 Å²	36	68.2 Å²	68.2	24%	0.243	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	32.8	176.1	-59	0	0	0	0	114.4	C250 I281 R285	C250-C283 WeakPolarHBondContact CA-SG 3.34Å; C250-C283 HydrophobicContact CB-CB 3.66Å; C250-C283 WeakPolarHBondContact CB-SG 3.15Å; C250-C283 WeakPolarHBondContact SG-CB 3.49Å; C250-C283 CovalentContact SG-SG 2.02Å; C250-C283 PolarHBondContact SG-SG 3.31Å; I281-C283 PolarHBondContact O-N 2.86Å; C283-R285 VanDerWaalsContact C-N 3.25Å; C283-R285 PolarHBondContact O-N 3.32Å
284	G	92.4	Very high	90.3	Very high	61 Å²	61	61.7 Å²	61.7	63%	0.629	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-1.5	-179.4	0	0	0	0	0	115.8	C282 G286	C282-G284 PolarHBondContact O-N 3.31Å; C282-G284 VanDerWaalsContact O-N 3.08Å; G284-G286 PolarHBondContact O-N 3.08Å
285	R	94.3	Very high	91.7	Very high	76 Å²	76	63.5 Å²	63.5	29%	0.287	33%	0.334	S	S	.	.	S	Bend	trans	-68.4	-12.2	178.6	-61.9	-168.2	-60.5	-91.7	-15.5	114.2	C250 E251 T261 C282 C283 L323	C250-R285 PolarHBondContact O-NH1 3.42Å; C250-R285 VanDerWaalsContact O-NH1 3.16Å; E251-R285 IonicContact OE1-CZ 3.86Å; E251-R285 IonicContact OE1-NH1 3.87Å; E251-R285 PolarHBondContact OE1-NH1 3.36Å; T261-R285 PolarHBondContact OG1-NH1 2.81Å; T261-R285 PolarHBondContact OG1-NH2 2.97Å; C282-R285 WeakPolarHBondContact O-CB 3.46Å; C282-R285 PolarHBondContact O-N 3Å; C283-R285 VanDerWaalsContact C-N 3.25Å; C283-R285 PolarHBondContact O-N 3.32Å; R285-L323 HydrophobicContact CB-CB 4.49Å; R285-L323 PolarHBondContact NE-O 3.27Å; R285-L323 PolarHBondContact NH2-O 3.01Å; R285-L323 VanDerWaalsContact O-CD1 3.32Å; R285-L323 WeakPolarHBondContact O-CD1 3.32Å
286	G	93.4	Very high	92.4	Very high	31 Å²	31	61.5 Å²	61.5	32%	0.32	32%	0.321	S	S	.	.			trans	90.1	-175.8	-171.2	0	0	0	0	0	112.9	C282 G284 L323	C282-G286 WeakPolarHBondContact CB-O 3.04Å; G284-G286 PolarHBondContact O-N 3.08Å; G286-L323 PolarHBondContact O-N 2.88Å
287	Y	94.6	Very high	93	Very high	94 Å²	94	65.7 Å²	65.7	37%	0.369	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.6	179.5	59.9	-89.2	0	0	0	109.6	V268 C278 Q289 K321	V268-Y287 HydrophobicContact CG2-CD2 4.45Å; V268-Y287 HydrophobicContact CG2-CE2 3.66Å; C278-Y287 HydrophobicContact CB-CD1 3.44Å; C278-Y287 VanDerWaalsContact CB-CD1 3.44Å; C278-Y287 HydrophobicContact CB-CE1 3.82Å; C278-Y287 HydrophobicContact CB-CG 4.05Å; Y287-Q289 HydrophobicContact CD2-CG 4.28Å; Y287-Q289 HydrophobicContact CE2-CG 4.21Å; Y287-K321 CarbonylContact C-O 3.51Å; Y287-K321 WeakPolarHBondContact CA-O 3.11Å; Y287-K321 VanDerWaalsContact CB-O 3.25Å; Y287-K321 WeakPolarHBondContact CB-O 3.03Å
288	Y	94.9	Very high	93.2	Very high	94 Å²	94	64.9 Å²	64.9	37%	0.369	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	155.5	168.2	67	-81.8	0	0	0	109.7	Q290 S320 K321 L323	Y288-Q290 HydrophobicContact CD2-CB 4.49Å; Y288-Q290 HydrophobicContact CE2-CB 4.3Å; Y288-S320 WeakPolarHBondContact O-CA 3.34Å; Y288-K321 HydrophobicContact CD1-CB 4.26Å; Y288-K321 VanDerWaalsContact CD1-O 3.31Å; Y288-K321 WeakPolarHBondContact CD1-O 3.38Å; Y288-K321 HydrophobicContact CE1-CB 3.65Å; Y288-K321 HydrophobicContact CE2-CB 4.18Å; Y288-K321 HydrophobicContact CE2-CD 4.25Å; Y288-K321 PolarHBondContact N-O 3.37Å; Y288-K321 PolarHBondContact O-N 3.19Å; Y288-K321 WeakPolarHBondContact OH-CD 2.98Å; Y288-L323 HydrophobicContact CD1-CD2 3.77Å; Y288-L323 HydrophobicContact CD1-CG 4.44Å; Y288-L323 HydrophobicContact CG-CD2 4.45Å
289	Q	93.4	Very high	93.4	Very high	100 Å²	100	69.7 Å²	69.7	47%	0.467	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.2	175.4	-65.3	-170.8	-35.6	0	0	109.7	Y287 W318 V319 S320	Y287-Q289 HydrophobicContact CD2-CG 4.28Å; Y287-Q289 HydrophobicContact CE2-CG 4.21Å; Q289-W318 HydrophobicContact CB-CE3 4.29Å; Q289-V319 WeakPolarHBondContact CA-O 3.42Å; Q289-S320 PolarHBondContact NE2-OG 2.85Å
290	Q	93	Very high	93.7	Very high	85 Å²	85	65 Å²	65	40%	0.397	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.4	176.7	-175.1	-178.4	-3.8	0	0	108.6	Y288 E292 V319 K321	Y288-Q290 HydrophobicContact CD2-CB 4.49Å; Y288-Q290 HydrophobicContact CE2-CB 4.3Å; Q290-E292 PolarHBondContact O-N 2.9Å; Q290-V319 PolarHBondContact N-O 2.99Å; Q290-V319 PolarHBondContact O-N 3.24Å; Q290-K321 VanDerWaalsContact OE1-NZ 3.13Å
291	A	93.3	Very high	94	Very high	46 Å²	46	68.4 Å²	68.4	38%	0.38	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	114.3	168.8	0	0	0	0	0	108.9	T316 W318	A291-T316 HydrophobicContact CB-CG2 3.8Å; A291-W318 HydrophobicContact CB-CD2 4.38Å; A291-W318 HydrophobicContact CB-CE3 4.13Å; A291-W318 HydrophobicContact CB-CH2 4.1Å; A291-W318 HydrophobicContact CB-CZ2 4.33Å; A291-W318 HydrophobicContact CB-CZ3 4Å
292	E	91.8	Very high	94.2	Very high	63 Å²	63	74.3 Å²	74.3	29%	0.294	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.3	172.5	-68.5	-172.6	172.5	0	0	109.4	Q290 I294 K317 V319 K321	Q290-E292 PolarHBondContact O-N 2.9Å; E292-I294 PolarHBondContact O-N 3.41Å; E292-K317 PolarHBondContact N-O 1.99Å; E292-K317 PolarHBondContact O-N 3.37Å; E292-V319 HydrophobicContact CB-CG2 4.23Å; E292-V319 HydrophobicContact CG-CB 4.43Å; E292-V319 HydrophobicContact CG-CG2 4.13Å; E292-K321 WeakPolarHBondContact OE1-CE 2.97Å; E292-K321 IonicContact OE1-NZ 2.86Å; E292-K321 PolarHBondContact OE1-NZ 2.83Å
293	T	93.6	Very high	94.2	Very high	52 Å²	52	80.2 Å²	80.2	32%	0.319	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	117.2	171.7	-67.1	0	0	0	0	108.6	Y295 R314	T293-Y295 HydrophobicContact CG2-CE2 3.93Å; T293-R314 HydrophobicContact CG2-CG 3.33Å; T293-R314 PolarHBondContact OG1-NE 2.94Å; T293-R314 PolarHBondContact OG1-NH2 2.86Å
294	I	92.5	Very high	93.9	Very high	55 Å²	55	90 Å²	90	28%	0.282	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.3	171.8	62.6	168.8	0	0	0	109.9	E292 R315 K317	E292-I294 PolarHBondContact O-N 3.41Å; I294-R315 HydrophobicContact CG1-CB 4.06Å; I294-R315 WeakPolarHBondContact CG1-O 3.31Å; I294-R315 PolarHBondContact N-O 2.87Å; I294-R315 PolarHBondContact O-N 3.5Å; I294-K317 HydrophobicContact CD1-CB 4.24Å; I294-K317 HydrophobicContact CD1-CD 4.32Å; I294-K317 HydrophobicContact CG1-CB 4.37Å
295	Y	94.9	Very high	93.6	Very high	159 Å²	159	92.1 Å²	92.1	62%	0.624	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.6	173.9	-67	-90.7	0	0	0	108.7	T293 C313 R314	T293-Y295 HydrophobicContact CG2-CE2 3.93Å; Y295-C313 WeakPolarHBondContact CA-O 3.3Å; Y295-R314 HydrophobicContact CE1-CB 4.27Å; Y295-R314 HydrophobicContact CE1-CG 4.35Å
296	E	93.9	Very high	93.2	Very high	74 Å²	74	93.9 Å²	93.9	35%	0.346	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.3	177.5	64	-173	179	0	0	111.2	C298 C313 R315	E296-C298 PolarHBondContact O-N 3.42Å; E296-C313 PolarHBondContact N-O 3.27Å; E296-C313 VanDerWaalsContact N-O 3.08Å; E296-C313 PolarHBondContact O-N 3.24Å; E296-R315 WeakPolarHBondContact OE1-CD 3.39Å; E296-R315 IonicContact OE1-CZ 2.93Å; E296-R315 IonicContact OE1-NE 3.81Å; E296-R315 IonicContact OE1-NH1 3.5Å; E296-R315 PolarHBondContact OE1-NH1 2.99Å; E296-R315 IonicContact OE2-NH1 3.93Å
297	N	95.1	Very high	93.2	Very high	94 Å²	94	100.5 Å²	100.5	50%	0.503	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.2	171.6	-72.8	-1.8	0	0	0	107.8	C310 E311 K312	N297-C310 HydrophobicContact CB-CB 3.82Å; N297-E311 WeakPolarHBondContact CA-O 3.02Å; N297-K312 WeakPolarHBondContact OD1-CD 3.4Å; N297-K312 VanDerWaalsContact OD1-CE 3.3Å; N297-K312 WeakPolarHBondContact OD1-CE 3.33Å; N297-K312 PolarHBondContact OD1-NZ 3.4Å
298	C	95.4	Very high	93.2	Very high	21 Å²	21	100.2 Å²	100.2	14%	0.142	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	171.5	178.3	64.7	0	0	0	0	109.5	E296 C300 E311 C313	E296-C298 PolarHBondContact O-N 3.42Å; C298-C300 PolarHBondContact O-N 2.83Å; C298-E311 PolarHBondContact N-O 2.93Å; C298-E311 PolarHBondContact O-N 2.88Å; C298-E311 PolarHBondContact SG-O 2.92Å; C298-C313 HydrophobicContact CB-CB 3.52Å; C298-C313 WeakPolarHBondContact CB-SG 3.05Å; C298-C313 VanDerWaalsContact SG-CA 3.54Å; C298-C313 WeakPolarHBondContact SG-CB 3.34Å; C298-C313 PolarHBondContact SG-N 2.82Å; C298-C313 CovalentContact SG-SG 1.99Å; C298-C313 PolarHBondContact SG-SG 3.02Å
299	N	95.2	Very high	93.3	Very high	102 Å²	102	97.9 Å²	97.9	55%	0.545	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.2	38	174.5	-58.4	-21.9	0	0	0	113	K301 E311	N299-K301 PolarHBondContact O-N 3.13Å; N299-E311 HydrophobicContact CB-CB 4.4Å; N299-E311 HydrophobicContact CB-CG 4.44Å; N299-E311 PolarHBondContact ND2-OE2 3Å
300	C	96.4	Very high	93.5	Very high	70 Å²	70	95.2 Å²	95.2	47%	0.473	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	118	-176.1	-65.6	0	0	0	0	110.4	C298 V308 T309 C310	C298-C300 PolarHBondContact O-N 2.83Å; C300-V308 HydrophobicContact CB-CG1 4.09Å; C300-T309 WeakPolarHBondContact CA-O 3.49Å; C300-C310 HydrophobicContact CB-CB 4.06Å; C300-C310 WeakPolarHBondContact CB-SG 3.14Å; C300-C310 WeakPolarHBondContact SG-CB 3.41Å; C300-C310 CovalentContact SG-SG 2.04Å; C300-C310 PolarHBondContact SG-SG 3.37Å
301	K	95.1	Very high	93.6	Very high	121 Å²	121	96 Å²	96	53%	0.526	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128	174.3	-67.7	178.8	-177	174.2	0	109.5	N299 Y303 V308 T309	N299-K301 PolarHBondContact O-N 3.13Å; K301-Y303 HydrophobicContact CB-CE2 3.82Å; K301-V308 WeakPolarHBondContact O-CA 3.2Å; K301-T309 PolarHBondContact N-O 2.9Å; K301-T309 PolarHBondContact O-N 2.9Å
302	F	96.1	Very high	93.7	Very high	126 Å²	126	100.7 Å²	100.7	55%	0.553	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.1	170.7	-179.8	-101.6	0	0	0	109	W304 V308	F302-W304 AromaticContact CE1-CE3 3.96Å; F302-W304 HydrophobicContact CE1-CE3 3.96Å; F302-V308 HydrophobicContact CD2-CG2 3.76Å
303	Y	93.9	Very high	93.9	Very high	125 Å²	125	99.6 Å²	99.6	49%	0.49	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.4	174	-68.2	-99.6	0	0	0	107.7	K301 C305 C306 R307 T309	K301-Y303 HydrophobicContact CB-CE2 3.82Å; Y303-C305 CarbonylContact O-C 3.56Å; Y303-C305 PolarHBondContact O-N 2.97Å; Y303-C306 PolarHBondContact O-N 3.24Å; Y303-R307 PolarHBondContact N-O 2.03Å; Y303-T309 HydrophobicContact CE2-CG2 4.32Å; Y303-T309 WeakPolarHBondContact CE2-OG1 3.45Å
304	W	89.4	Confident	94	Very high	240 Å²	240	105.2 Å²	105.2	91%	0.909	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	132.5	178.6	-173.6	-108.8	0	0	0	110.1	F302	F302-W304 AromaticContact CE1-CE3 3.96Å; F302-W304 HydrophobicContact CE1-CE3 3.96Å
305	C	84.9	Confident	94.1	Very high	106 Å²	106	109.3 Å²	109.3	72%	0.716	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	63.6	-156.8	-148.8	0	0	0	0	115.4	Y303 R307	Y303-C305 CarbonylContact O-C 3.56Å; Y303-C305 PolarHBondContact O-N 2.97Å; C305-R307 PolarHBondContact O-N 3.11Å
306	C	86.3	Confident	93.9	Very high	114 Å²	114	105.5 Å²	105.5	77%	0.77	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	13.8	143.1	-55.9	0	0	0	0	119.4	Y303	Y303-C306 PolarHBondContact O-N 3.24Å
307	R	93.9	Very high	93.8	Very high	170 Å²	170	107.4 Å²	107.4	64%	0.642	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.1	175.9	-172.5	178	177.4	-180	-2.3	111.2	Y303 C305 T309	Y303-R307 PolarHBondContact N-O 2.03Å; C305-R307 PolarHBondContact O-N 3.11Å; R307-T309 HydrophobicContact CG-CG2 4.07Å
308	V	95.1	Very high	93.6	Very high	88 Å²	88	110.7 Å²	110.7	53%	0.533	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.9	165	-179.3	0	0	0	0	107.6	C300 K301 F302	C300-V308 HydrophobicContact CB-CG1 4.09Å; K301-V308 WeakPolarHBondContact O-CA 3.2Å; F302-V308 HydrophobicContact CD2-CG2 3.76Å
309	T	95.9	Very high	93.4	Very high	44 Å²	44	110.3 Å²	110.3	27%	0.27	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.5	167.1	61.9	0	0	0	0	109.1	C300 K301 Y303 R307	C300-T309 WeakPolarHBondContact CA-O 3.49Å; K301-T309 PolarHBondContact N-O 2.9Å; K301-T309 PolarHBondContact O-N 2.9Å; Y303-T309 HydrophobicContact CE2-CG2 4.32Å; Y303-T309 WeakPolarHBondContact CE2-OG1 3.45Å; R307-T309 HydrophobicContact CG-CG2 4.07Å
310	C	96.9	Very high	93.3	Very high	44 Å²	44	105.7 Å²	105.7	30%	0.297	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.9	176.7	-54.8	0	0	0	0	109.7	N297 C300	N297-C310 HydrophobicContact CB-CB 3.82Å; C300-C310 HydrophobicContact CB-CB 4.06Å; C300-C310 WeakPolarHBondContact CB-SG 3.14Å; C300-C310 WeakPolarHBondContact SG-CB 3.41Å; C300-C310 CovalentContact SG-SG 2.04Å; C300-C310 PolarHBondContact SG-SG 3.37Å
311	E	96.1	Very high	93.2	Very high	103 Å²	103	104 Å²	104	48%	0.481	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	157.1	166.1	-67.8	166.1	-167.7	0	0	109.6	N297 C298 N299	N297-E311 WeakPolarHBondContact CA-O 3.02Å; C298-E311 PolarHBondContact N-O 2.93Å; C298-E311 PolarHBondContact O-N 2.88Å; C298-E311 PolarHBondContact SG-O 2.92Å; N299-E311 HydrophobicContact CB-CB 4.4Å; N299-E311 HydrophobicContact CB-CG 4.44Å; N299-E311 PolarHBondContact ND2-OE2 3Å
312	K	95.9	Very high	93.2	Very high	144 Å²	144	98.2 Å²	98.2	63%	0.626	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	99.4	171.7	-71.4	-64.3	-170.3	178.1	0	108.8	N297	N297-K312 WeakPolarHBondContact OD1-CD 3.4Å; N297-K312 VanDerWaalsContact OD1-CE 3.3Å; N297-K312 WeakPolarHBondContact OD1-CE 3.33Å; N297-K312 PolarHBondContact OD1-NZ 3.4Å
313	C	96.1	Very high	93.2	Very high	40 Å²	40	96.6 Å²	96.6	27%	0.27	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	139.7	175.6	-73.5	0	0	0	0	110.8	Y295 E296 C298	Y295-C313 WeakPolarHBondContact CA-O 3.3Å; E296-C313 PolarHBondContact N-O 3.27Å; E296-C313 VanDerWaalsContact N-O 3.08Å; E296-C313 PolarHBondContact O-N 3.24Å; C298-C313 HydrophobicContact CB-CB 3.52Å; C298-C313 WeakPolarHBondContact CB-SG 3.05Å; C298-C313 VanDerWaalsContact SG-CA 3.54Å; C298-C313 WeakPolarHBondContact SG-CB 3.34Å; C298-C313 PolarHBondContact SG-N 2.82Å; C298-C313 CovalentContact SG-SG 1.99Å; C298-C313 PolarHBondContact SG-SG 3.02Å
314	R	95.5	Very high	93.1	Very high	170 Å²	170	95.2 Å²	95.2	64%	0.642	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	124.3	167.2	-169.6	-173.8	175.4	172.9	2.5	108.7	T293 Y295	T293-R314 HydrophobicContact CG2-CG 3.33Å; T293-R314 PolarHBondContact OG1-NE 2.94Å; T293-R314 PolarHBondContact OG1-NH2 2.86Å; Y295-R314 HydrophobicContact CE1-CB 4.27Å; Y295-R314 HydrophobicContact CE1-CG 4.35Å
315	R	93.5	Very high	93.3	Very high	140 Å²	140	87.6 Å²	87.6	53%	0.528	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.1	171.8	-177.2	174.8	177	-176.3	4.2	110.2	I294 E296	I294-R315 HydrophobicContact CG1-CB 4.06Å; I294-R315 WeakPolarHBondContact CG1-O 3.31Å; I294-R315 PolarHBondContact N-O 2.87Å; I294-R315 PolarHBondContact O-N 3.5Å; E296-R315 WeakPolarHBondContact OE1-CD 3.39Å; E296-R315 IonicContact OE1-CZ 2.93Å; E296-R315 IonicContact OE1-NE 3.81Å; E296-R315 IonicContact OE1-NH1 3.5Å; E296-R315 PolarHBondContact OE1-NH1 2.99Å; E296-R315 IonicContact OE2-NH1 3.93Å
316	T	92.3	Very high	93.8	Very high	79 Å²	79	86.6 Å²	86.6	49%	0.485	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.4	173.7	-54.8	0	0	0	0	109.1	A291	A291-T316 HydrophobicContact CB-CG2 3.8Å
317	K	90.6	Very high	94.2	Very high	115 Å²	115	84.9 Å²	84.9	50%	0.5	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.5	176	-176.9	-179.7	177.9	-177.3	0	109.6	E292 I294 V319	E292-K317 PolarHBondContact N-O 1.99Å; E292-K317 PolarHBondContact O-N 3.37Å; I294-K317 HydrophobicContact CD1-CB 4.24Å; I294-K317 HydrophobicContact CD1-CD 4.32Å; I294-K317 HydrophobicContact CG1-CB 4.37Å; K317-V319 HydrophobicContact CD-CG2 4.44Å; K317-V319 HydrophobicContact CG-CG2 4.32Å
318	W	90.1	Very high	94.2	Very high	163 Å²	163	79.6 Å²	79.6	62%	0.617	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.5	171	-68.7	99.1	0	0	0	110.3	Q289 A291	Q289-W318 HydrophobicContact CB-CE3 4.29Å; A291-W318 HydrophobicContact CB-CD2 4.38Å; A291-W318 HydrophobicContact CB-CE3 4.13Å; A291-W318 HydrophobicContact CB-CH2 4.1Å; A291-W318 HydrophobicContact CB-CZ2 4.33Å; A291-W318 HydrophobicContact CB-CZ3 4Å
319	V	91.8	Very high	94.2	Very high	12 Å²	12	79.1 Å²	79.1	7%	0.073	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.7	178.5	-176.8	0	0	0	0	108.9	V265 Q289 Q290 E292 K317 K321	V265-V319 HydrophobicContact CB-CG1 4.25Å; V265-V319 HydrophobicContact CG1-CG1 3.61Å; V265-V319 HydrophobicContact CG2-CG1 3.72Å; Q289-V319 WeakPolarHBondContact CA-O 3.42Å; Q290-V319 PolarHBondContact N-O 2.99Å; Q290-V319 PolarHBondContact O-N 3.24Å; E292-V319 HydrophobicContact CB-CG2 4.23Å; E292-V319 HydrophobicContact CG-CB 4.43Å; E292-V319 HydrophobicContact CG-CG2 4.13Å; K317-V319 HydrophobicContact CD-CG2 4.44Å; K317-V319 HydrophobicContact CG-CG2 4.32Å; V319-K321 HydrophobicContact CG1-CG 4.38Å
320	S	93.2	Very high	94.1	Very high	6 Å²	6	81.6 Å²	81.6	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.3	176.1	-54.9	0	0	0	0	109.5	V265 C266 V268 Y288 Q289	V265-S320 CarbonylContact C-O 3.6Å; V265-S320 WeakPolarHBondContact CA-O 3.47Å; C266-S320 PolarHBondContact N-O 2.92Å; V268-S320 VanDerWaalsContact CG2-OG 3.28Å; V268-S320 WeakPolarHBondContact CG2-OG 3.22Å; Y288-S320 WeakPolarHBondContact O-CA 3.34Å; Q289-S320 PolarHBondContact NE2-OG 2.85Å
321	K	94.3	Very high	93.8	Very high	33 Å²	33	84.5 Å²	84.5	14%	0.143	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.1	-179	-69.8	176.3	-174.8	166	0	110.4	R264 V265 Y287 Y288 Q290 E292 V319	R264-K321 CarbonylContact O-C 3.52Å; R264-K321 VanDerWaalsContact O-CA 3.31Å; R264-K321 WeakPolarHBondContact O-CA 3.33Å; V265-K321 HydrophobicContact CG2-CG 4.24Å; Y287-K321 CarbonylContact C-O 3.51Å; Y287-K321 WeakPolarHBondContact CA-O 3.11Å; Y287-K321 VanDerWaalsContact CB-O 3.25Å; Y287-K321 WeakPolarHBondContact CB-O 3.03Å; Y288-K321 HydrophobicContact CD1-CB 4.26Å; Y288-K321 VanDerWaalsContact CD1-O 3.31Å; Y288-K321 WeakPolarHBondContact CD1-O 3.38Å; Y288-K321 HydrophobicContact CE1-CB 3.65Å; Y288-K321 HydrophobicContact CE2-CB 4.18Å; Y288-K321 HydrophobicContact CE2-CD 4.25Å; Y288-K321 PolarHBondContact N-O 3.37Å; Y288-K321 PolarHBondContact O-N 3.19Å; Y288-K321 WeakPolarHBondContact OH-CD 2.98Å; Q290-K321 VanDerWaalsContact OE1-NZ 3.13Å; E292-K321 WeakPolarHBondContact OE1-CE 2.97Å; E292-K321 IonicContact OE1-NZ 2.86Å; E292-K321 PolarHBondContact OE1-NZ 2.83Å; V319-K321 HydrophobicContact CG1-CG 4.38Å
322	C	95.2	Very high	93.7	Very high	0 Å²	0	82.9 Å²	82.9	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	139.7	178	-59.7	0	0	0	0	111.9	T261 G263 R264 C282	T261-C322 WeakPolarHBondContact O-CB 2.98Å; G263-C322 WeakPolarHBondContact CA-O 2.97Å; G263-C322 PolarHBondContact N-O 2.72Å; R264-C322 PolarHBondContact O-N 2.83Å; R264-C322 PolarHBondContact O-SG 3.29Å; R264-C322 VanDerWaalsContact O-SG 3.37Å; C282-C322 WeakPolarHBondContact CA-SG 3.05Å; C282-C322 HydrophobicContact CB-CB 3.52Å; C282-C322 WeakPolarHBondContact CB-SG 3.45Å; C282-C322 WeakPolarHBondContact SG-CA 2.91Å; C282-C322 WeakPolarHBondContact SG-CB 3.5Å; C282-C322 CovalentContact SG-SG 2.03Å; C282-C322 PolarHBondContact SG-SG 2.84Å
323	L	95.3	Very high	93.4	Very high	93 Å²	93	77.4 Å²	77.4	49%	0.487	34%	0.344	S	S	.	.			trans	-66.6	0	172.5	-70.3	170.1	0	0	0	112.8	K262 R285 G286 Y288	K262-L323 WeakPolarHBondContact CD-OXT 3.15Å; K262-L323 WeakPolarHBondContact CE-OXT 3.28Å; K262-L323 WeakPolarHBondContact CG-OXT 3.25Å; R285-L323 HydrophobicContact CB-CB 4.49Å; R285-L323 PolarHBondContact NE-O 3.27Å; R285-L323 PolarHBondContact NH2-O 3.01Å; R285-L323 VanDerWaalsContact O-CD1 3.32Å; R285-L323 WeakPolarHBondContact O-CD1 3.32Å; G286-L323 PolarHBondContact O-N 2.88Å; Y288-L323 HydrophobicContact CD1-CD2 3.77Å; Y288-L323 HydrophobicContact CD1-CG 4.44Å; Y288-L323 HydrophobicContact CG-CD2 4.45Å

Retrieved 323 of 323 residues in 129 ms (Link to these results)

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