CXL14_HUMAN Loading...

C-X-C motif chemokine 14

Potent chemoattractant for neutrophils, and weaker for dendritic cells. Not chemotactic for T-cells, B-cells, monocytes, natural killer cells or granulocytes. Does not inhibit proliferation of myeloid progenitors in colony formation assays.

AlphaFold DB , UniProt , Accession O95715, Species HUMAN (Homo sapiens, Human), Gene CXCL14, Length 111 aa.

						>CXL14_HUMAN|O95715|CXCL14
MSLLPRRAPPVSMRLLAAALLLLLLALYTARVDGSKCKCSRKGPKIRYSDVKKLEMKPKYPHCEEKMVIITTKSVSRYRGQEHCLHPKLQSTKRFIKWYNAWNEKRRVYEE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.4	Low	56.5	Low	236 Å²	236	146.5 Å²	146.5	100%	1.163	77%	0.772	S	S	*	*				0	93.1	0	-78.4	153.4	78	0	0	108.2	L3	M1-L3 PolarHBondContact O-N 2.84Å
2	S	48.8	Very low	58	Low	120 Å²	120	140.8 Å²	140.8	84%	0.839	75%	0.753	S	S	*	*			trans	-79.3	106.9	178.8	-51.6	0	0	0	0	108.7	L4	S2-L4 VanDerWaalsContact C-N 3.33Å; S2-L4 PolarHBondContact O-N 3.44Å
3	L	58.5	Low	59.6	Low	170 Å²	170	138.2 Å²	138.2	89%	0.89	74%	0.736	S	S	*	*			trans	-65.4	94.3	168.8	-74.1	156.1	0	0	0	107.4	M1	M1-L3 PolarHBondContact O-N 2.84Å
4	L	51.2	Low	61.1	Low	156 Å²	156	138.2 Å²	138.2	82%	0.817	72%	0.721	S	S	*	*			trans	-55.8	129.3	170.7	-81.5	163.5	0	0	0	108.4	S2 R6	S2-L4 VanDerWaalsContact C-N 3.33Å; S2-L4 PolarHBondContact O-N 3.44Å; L4-R6 PolarHBondContact O-N 3.01Å
5	P	54.7	Low	62.7	Low	116 Å²	116	136.9 Å²	136.9	75%	0.753	71%	0.714	S	S	*	*			trans	-64.8	116.1	178.7	26.4	-30.9	0	0	0	107.4	R7	P5-R7 PolarHBondContact O-N 3.35Å
6	R	59.4	Low	64.3	Low	250 Å²	250	134.1 Å²	134.1	94%	0.943	70%	0.699	S	S	*	*			trans	-61.9	88.4	164.8	-89.2	-175.9	172.8	173.7	-1.1	107.1	L4 A8	L4-R6 PolarHBondContact O-N 3.01Å; R6-A8 PolarHBondContact O-N 3.43Å
7	R	52.2	Low	65.7	Low	237 Å²	237	129.5 Å²	129.5	89%	0.894	69%	0.685	S	S	*	*			trans	-61.5	109.8	169.2	-156.3	170.4	-165.3	133.5	0.9	105.8	P5 P9	P5-R7 PolarHBondContact O-N 3.35Å; R7-P9 WeakPolarHBondContact O-CD 3.42Å; R7-P9 VanDerWaalsContact O-N 3.15Å
8	A	58.1	Low	67.1	Low	68 Å²	68	125.1 Å²	125.1	56%	0.562	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-55	121.9	177	0	0	0	0	0	107.6	R6	R6-A8 PolarHBondContact O-N 3.43Å
9	P	59.1	Low	68.3	Low	64 Å²	64	121.5 Å²	121.5	42%	0.416	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-61.1	144.2	177.4	22.6	-30.9	0	0	0	108.6	R7 M13 R14	R7-P9 WeakPolarHBondContact O-CD 3.42Å; R7-P9 VanDerWaalsContact O-N 3.15Å; P9-M13 HydrophobicContact CB-CB 4.09Å; P9-R14 HydrophobicContact CG-CG 3.9Å; P9-R14 PolarHBondContact O-NE 2.99Å
10	P	63	Low	69.6	Low	86 Å²	86	120.8 Å²	120.8	56%	0.558	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-54.4	145.2	177.4	23.2	-32.5	0	0	0	109.4	S12 M13 R14	P10-S12 PolarHBondContact O-N 3.05Å; P10-M13 HydrophobicContact CG-CB 4.17Å; P10-M13 HydrophobicContact CG-CG 3.7Å; P10-M13 WeakPolarHBondContact O-CB 3.49Å; P10-M13 PolarHBondContact O-N 3.01Å; P10-R14 PolarHBondContact O-N 2.75Å
11	V	66	Low	70.7	Confident	109 Å²	109	120.3 Å²	120.3	66%	0.661	65%	0.651	S	S	*	*	H	α-helix	trans	-51.2	-35.6	-174.9	-176.2	0	0	0	0	111.6	M13 R14 L15	V11-M13 PolarHBondContact O-N 3.33Å; V11-R14 WeakPolarHBondContact O-CB 3.43Å; V11-R14 PolarHBondContact O-N 3.02Å; V11-R14 VanDerWaalsContact O-N 3.15Å; V11-L15 HydrophobicContact CG1-CD1 4.25Å; V11-L15 PolarHBondContact O-N 2.95Å
12	S	74.2	Confident	72.7	Confident	78 Å²	78	114.7 Å²	114.7	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-56.5	-44.9	173.8	-177.4	0	0	0	0	113.5	P10 R14 L15 L16	P10-S12 PolarHBondContact O-N 3.05Å; S12-R14 VanDerWaalsContact C-N 3.32Å; S12-R14 PolarHBondContact O-N 2.96Å; S12-L15 PolarHBondContact O-N 3.26Å; S12-L16 PolarHBondContact O-N 3.43Å
13	M	78.9	Confident	74.8	Confident	106 Å²	106	114.2 Å²	114.2	52%	0.522	61%	0.613	S	S	.	*	H	α-helix	trans	-65.5	-35.2	176.7	-75.3	-96	87.2	0	0	112	P9 P10 V11 L16 A17	P9-M13 HydrophobicContact CB-CB 4.09Å; P10-M13 HydrophobicContact CG-CB 4.17Å; P10-M13 HydrophobicContact CG-CG 3.7Å; P10-M13 WeakPolarHBondContact O-CB 3.49Å; P10-M13 PolarHBondContact O-N 3.01Å; V11-M13 PolarHBondContact O-N 3.33Å; M13-L16 HydrophobicContact CE-CD1 4.21Å; M13-A17 VanDerWaalsContact O-CB 3.31Å; M13-A17 WeakPolarHBondContact O-CB 3.31Å; M13-A17 PolarHBondContact O-N 3.42Å
14	R	80.6	Confident	76.3	Confident	139 Å²	139	110.6 Å²	110.6	53%	0.525	59%	0.594	S	S	.	*	H	α-helix	trans	-67.8	-41.1	177.1	-62.4	-175.4	-177	-160.9	-3.7	111.7	P9 P10 V11 S12 A17 A18	P9-R14 HydrophobicContact CG-CG 3.9Å; P9-R14 PolarHBondContact O-NE 2.99Å; P10-R14 PolarHBondContact O-N 2.75Å; V11-R14 WeakPolarHBondContact O-CB 3.43Å; V11-R14 PolarHBondContact O-N 3.02Å; V11-R14 VanDerWaalsContact O-N 3.15Å; S12-R14 VanDerWaalsContact C-N 3.32Å; S12-R14 PolarHBondContact O-N 2.96Å; R14-A17 PolarHBondContact O-N 3.15Å; R14-A18 WeakPolarHBondContact O-CB 3.37Å; R14-A18 PolarHBondContact O-N 2.88Å
15	L	85.6	Confident	78.2	Confident	118 Å²	118	107.7 Å²	107.7	62%	0.618	58%	0.579	S	S	*	*	H	α-helix	trans	-65	-45.3	176.6	-72.6	167.7	0	0	0	111.5	V11 S12 A17 A18 A19	V11-L15 HydrophobicContact CG1-CD1 4.25Å; V11-L15 PolarHBondContact O-N 2.95Å; S12-L15 PolarHBondContact O-N 3.26Å; L15-A17 PolarHBondContact O-N 2.97Å; L15-A18 PolarHBondContact O-N 3.31Å; L15-A19 WeakPolarHBondContact O-CB 3.43Å; L15-A19 PolarHBondContact O-N 3.49Å
16	L	88.1	Confident	79.7	Confident	92 Å²	92	104.9 Å²	104.9	48%	0.482	57%	0.565	S	S	.	*	H	α-helix	trans	-58.7	-46.1	173.9	-97.5	152.1	0	0	0	112	S12 M13 A19 L20	S12-L16 PolarHBondContact O-N 3.43Å; M13-L16 HydrophobicContact CE-CD1 4.21Å; L16-A19 PolarHBondContact O-N 3.43Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.32Å
17	A	87.9	Confident	80.8	Confident	56 Å²	56	97.2 Å²	97.2	46%	0.463	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-43.4	177.2	0	0	0	0	0	112	M13 R14 L15 L20 L21	M13-A17 VanDerWaalsContact O-CB 3.31Å; M13-A17 WeakPolarHBondContact O-CB 3.31Å; M13-A17 PolarHBondContact O-N 3.42Å; R14-A17 PolarHBondContact O-N 3.15Å; L15-A17 PolarHBondContact O-N 2.97Å; A17-L20 PolarHBondContact O-N 2.97Å; A17-L21 WeakPolarHBondContact O-CB 3.44Å; A17-L21 PolarHBondContact O-N 3.4Å
18	A	90.6	Very high	82.3	Confident	51 Å²	51	93.6 Å²	93.6	42%	0.421	53%	0.53	S	S	.	.	H	α-helix	trans	-63.7	-43.3	176.9	0	0	0	0	0	112.1	R14 L15 L21 L22	R14-A18 WeakPolarHBondContact O-CB 3.37Å; R14-A18 PolarHBondContact O-N 2.88Å; L15-A18 PolarHBondContact O-N 3.31Å; A18-L21 PolarHBondContact O-N 2.91Å; A18-L22 WeakPolarHBondContact O-CG 3.36Å; A18-L22 PolarHBondContact O-N 2.94Å
19	A	91.1	Very high	83.2	Confident	56 Å²	56	94.5 Å²	94.5	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-44.6	176.6	0	0	0	0	0	111.8	L15 L16 L21 L22 L23	L15-A19 WeakPolarHBondContact O-CB 3.43Å; L15-A19 PolarHBondContact O-N 3.49Å; L16-A19 PolarHBondContact O-N 3.43Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 2.95Å; A19-L22 PolarHBondContact O-N 3.46Å; A19-L23 WeakPolarHBondContact O-CB 3.39Å; A19-L23 PolarHBondContact O-N 3.43Å
20	L	93.3	Very high	83.9	Confident	108 Å²	108	94.5 Å²	94.5	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-61.1	-41.3	174.4	-78.9	165.4	0	0	0	111.9	L16 A17 L23 L24	L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3.32Å; A17-L20 PolarHBondContact O-N 2.97Å; L20-L23 PolarHBondContact O-N 2.93Å; L20-L24 WeakPolarHBondContact O-CG 3.37Å; L20-L24 PolarHBondContact O-N 2.93Å
21	L	93.1	Very high	84.2	Confident	111 Å²	111	100 Å²	100	58%	0.581	54%	0.544	S	S	*	.	H	α-helix	trans	-64.3	-43.2	178.8	-147.2	104.6	0	0	0	111.7	A17 A18 A19 L23 L24 L25	A17-L21 WeakPolarHBondContact O-CB 3.44Å; A17-L21 PolarHBondContact O-N 3.4Å; A18-L21 PolarHBondContact O-N 2.91Å; A19-L21 VanDerWaalsContact C-N 3.33Å; A19-L21 PolarHBondContact O-N 2.95Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L24 PolarHBondContact O-N 3Å; L21-L25 HydrophobicContact CD2-CD1 4.32Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 WeakPolarHBondContact O-CG 3.4Å; L21-L25 PolarHBondContact O-N 3.37Å
22	L	92.9	Very high	84.4	Confident	118 Å²	118	98.5 Å²	98.5	62%	0.618	54%	0.535	S	S	*	.	H	α-helix	trans	-63.4	-40.1	175.6	-72.3	172.7	0	0	0	111.7	A18 A19 L25 A26	A18-L22 WeakPolarHBondContact O-CG 3.36Å; A18-L22 PolarHBondContact O-N 2.94Å; A19-L22 PolarHBondContact O-N 3.46Å; L22-L25 PolarHBondContact O-N 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.46Å; L22-A26 PolarHBondContact O-N 2.97Å
23	L	92.6	Very high	83.9	Confident	110 Å²	110	98.3 Å²	98.3	58%	0.576	53%	0.527	S	S	*	.	H	α-helix	trans	-68.2	-39.9	179.1	-156.5	139.2	0	0	0	111.5	A19 L20 L21 A26 L27	A19-L23 WeakPolarHBondContact O-CB 3.39Å; A19-L23 PolarHBondContact O-N 3.43Å; L20-L23 PolarHBondContact O-N 2.93Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L23-A26 PolarHBondContact O-N 3.47Å; L23-L27 HydrophobicContact CD2-CD1 3.91Å; L23-L27 HydrophobicContact CD2-CG 4.43Å; L23-L27 VanDerWaalsContact O-CG 3.31Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 2.88Å
24	L	89.8	Confident	83.4	Confident	94 Å²	94	94.8 Å²	94.8	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-61.1	-49.4	170.8	-73.8	171.8	0	0	0	111	L20 L21 A26 L27 Y28	L20-L24 WeakPolarHBondContact O-CG 3.37Å; L20-L24 PolarHBondContact O-N 2.93Å; L21-L24 PolarHBondContact O-N 3Å; L24-A26 VanDerWaalsContact C-N 3.3Å; L24-A26 PolarHBondContact O-N 3.43Å; L24-L27 PolarHBondContact O-N 3.19Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L24-Y28 VanDerWaalsContact O-CD2 3.27Å; L24-Y28 WeakPolarHBondContact O-CD2 3.34Å; L24-Y28 PolarHBondContact O-N 2.86Å
25	L	90.4	Very high	83	Confident	95 Å²	95	91.8 Å²	91.8	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-56	-45.1	177.6	-79.1	164.5	0	0	0	111.8	L21 L22 L27 Y28 T29	L21-L25 HydrophobicContact CD2-CD1 4.32Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 WeakPolarHBondContact O-CG 3.4Å; L21-L25 PolarHBondContact O-N 3.37Å; L22-L25 PolarHBondContact O-N 3.24Å; L25-L27 PolarHBondContact O-N 3.33Å; L25-Y28 PolarHBondContact O-N 3.13Å; L25-T29 WeakPolarHBondContact O-CG2 3.47Å; L25-T29 PolarHBondContact O-N 3.47Å; L25-T29 PolarHBondContact O-OG1 3Å
26	A	86.9	Confident	82.8	Confident	56 Å²	56	91.8 Å²	91.8	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-61.1	-42.5	176.6	0	0	0	0	0	112.6	L22 L23 L24 Y28 T29 A30	L22-A26 WeakPolarHBondContact O-CB 3.46Å; L22-A26 PolarHBondContact O-N 2.97Å; L23-A26 PolarHBondContact O-N 3.47Å; L24-A26 VanDerWaalsContact C-N 3.3Å; L24-A26 PolarHBondContact O-N 3.43Å; A26-Y28 VanDerWaalsContact C-N 3.35Å; A26-T29 WeakPolarHBondContact CA-OG1 3.31Å; A26-T29 PolarHBondContact O-N 3.35Å; A26-T29 PolarHBondContact O-OG1 2.9Å; A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 3.21Å
27	L	83.2	Confident	82.8	Confident	89 Å²	89	87.9 Å²	87.9	47%	0.466	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-38.4	174.9	-71.5	173.5	0	0	0	112	L23 L24 L25 R31	L23-L27 HydrophobicContact CD2-CD1 3.91Å; L23-L27 HydrophobicContact CD2-CG 4.43Å; L23-L27 VanDerWaalsContact O-CG 3.31Å; L23-L27 WeakPolarHBondContact O-CG 3.4Å; L23-L27 PolarHBondContact O-N 2.88Å; L24-L27 PolarHBondContact O-N 3.19Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L25-L27 PolarHBondContact O-N 3.33Å; L27-R31 WeakPolarHBondContact O-CG 3.38Å; L27-R31 PolarHBondContact O-N 3.19Å
28	Y	82.2	Confident	82.9	Confident	161 Å²	161	89.6 Å²	89.6	63%	0.631	49%	0.491	S	S	*	.	H	α-helix	trans	-65.5	-47	176	-92.4	-87.4	0	0	0	111.4	L24 L25 A26 A30 R31 V32	L24-Y28 VanDerWaalsContact O-CD2 3.27Å; L24-Y28 WeakPolarHBondContact O-CD2 3.34Å; L24-Y28 PolarHBondContact O-N 2.86Å; L25-Y28 PolarHBondContact O-N 3.13Å; A26-Y28 VanDerWaalsContact C-N 3.35Å; Y28-A30 PolarHBondContact O-N 3.2Å; Y28-R31 PolarHBondContact O-N 3.1Å; Y28-V32 WeakPolarHBondContact O-CG2 3.27Å; Y28-V32 PolarHBondContact O-N 3.47Å; Y28-V32 VanDerWaalsContact O-N 3.1Å
29	T	77.9	Confident	82.8	Confident	87 Å²	87	87.6 Å²	87.6	53%	0.534	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-41	179	52.7	0	0	0	0	111.7	L25 A26 R31 V32 D33	L25-T29 WeakPolarHBondContact O-CG2 3.47Å; L25-T29 PolarHBondContact O-N 3.47Å; L25-T29 PolarHBondContact O-OG1 3Å; A26-T29 WeakPolarHBondContact CA-OG1 3.31Å; A26-T29 PolarHBondContact O-N 3.35Å; A26-T29 PolarHBondContact O-OG1 2.9Å; T29-R31 VanDerWaalsContact C-N 3.27Å; T29-R31 PolarHBondContact O-N 3.45Å; T29-V32 PolarHBondContact O-N 3.12Å; T29-V32 VanDerWaalsContact O-N 3.12Å; T29-D33 PolarHBondContact O-N 3.32Å
30	A	73.6	Confident	82.5	Confident	65 Å²	65	88.9 Å²	88.9	54%	0.537	48%	0.48	S	S	.	.	H	α-helix	trans	-60.6	-36	175.7	0	0	0	0	0	112.6	A26 Y28	A26-A30 WeakPolarHBondContact O-CB 3.49Å; A26-A30 PolarHBondContact O-N 3.21Å; Y28-A30 PolarHBondContact O-N 3.2Å
31	R	70.3	Confident	81.9	Confident	201 Å²	201	93.4 Å²	93.4	76%	0.758	49%	0.489	S	S	*	.	H	α-helix	trans	-72.2	-31.9	175.9	-73	-178.8	-177.5	-169.8	3.4	113.2	L27 Y28 T29 D33 G34	L27-R31 WeakPolarHBondContact O-CG 3.38Å; L27-R31 PolarHBondContact O-N 3.19Å; Y28-R31 PolarHBondContact O-N 3.1Å; T29-R31 VanDerWaalsContact C-N 3.27Å; T29-R31 PolarHBondContact O-N 3.45Å; R31-D33 VanDerWaalsContact C-N 3.3Å; R31-D33 PolarHBondContact O-N 3.29Å; R31-G34 PolarHBondContact O-N 3.01Å
32	V	68.7	Low	81.2	Confident	78 Å²	78	96.9 Å²	96.9	47%	0.473	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-37	-179.5	168.3	0	0	0	0	111.1	Y28 T29 G34 S35	Y28-V32 WeakPolarHBondContact O-CG2 3.27Å; Y28-V32 PolarHBondContact O-N 3.47Å; Y28-V32 VanDerWaalsContact O-N 3.1Å; T29-V32 PolarHBondContact O-N 3.12Å; T29-V32 VanDerWaalsContact O-N 3.12Å; V32-G34 PolarHBondContact O-N 3.18Å; V32-S35 WeakPolarHBondContact O-CB 3.44Å; V32-S35 PolarHBondContact O-N 3.26Å; V32-S35 PolarHBondContact O-OG 3.45Å
33	D	64.4	Low	80.4	Confident	73 Å²	73	92.8 Å²	92.8	39%	0.39	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-32.7	179.2	-68.1	-39.5	0	0	0	112.6	T29 R31 S35 K36 C37	T29-D33 PolarHBondContact O-N 3.32Å; R31-D33 VanDerWaalsContact C-N 3.3Å; R31-D33 PolarHBondContact O-N 3.29Å; D33-S35 PolarHBondContact O-N 2.66Å; D33-S35 VanDerWaalsContact O-N 3.11Å; D33-K36 PolarHBondContact O-N 3Å; D33-K36 VanDerWaalsContact O-N 3.13Å; D33-K36 IonicContact OD1-NZ 2.74Å; D33-C37 PolarHBondContact O-N 3.5Å; D33-C37 PolarHBondContact O-SG 2.03Å
34	G	67.9	Low	80.1	Confident	33 Å²	33	90 Å²	90	34%	0.34	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-20.9	174.2	0	0	0	0	0	114.7	R31 V32	R31-G34 PolarHBondContact O-N 3.01Å; V32-G34 PolarHBondContact O-N 3.18Å
35	S	72.3	Confident	80	Confident	76 Å²	76	94.9 Å²	94.9	53%	0.531	49%	0.492	S	S	.	.	H	α-helix	trans	-78.8	-38	175.4	71.4	0	0	0	0	112.6	V32 D33 C37 K38	V32-S35 WeakPolarHBondContact O-CB 3.44Å; V32-S35 PolarHBondContact O-N 3.26Å; V32-S35 PolarHBondContact O-OG 3.45Å; D33-S35 PolarHBondContact O-N 2.66Å; D33-S35 VanDerWaalsContact O-N 3.11Å; S35-C37 VanDerWaalsContact C-N 3.26Å; S35-C37 PolarHBondContact O-N 3.32Å; S35-K38 PolarHBondContact O-N 3.43Å
36	K	82.7	Confident	79.9	Confident	118 Å²	118	91 Å²	91	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-31.8	178.2	-66	177.4	-177	165.4	0	111.8	D33 K38 K59	D33-K36 PolarHBondContact O-N 3Å; D33-K36 VanDerWaalsContact O-N 3.13Å; D33-K36 IonicContact OD1-NZ 2.74Å; K36-K38 PolarHBondContact O-N 3.35Å; K36-K59 WeakPolarHBondContact O-CD 3.39Å; K36-K59 PolarHBondContact O-NZ 2.83Å
37	C	88.1	Confident	80.1	Confident	10 Å²	10	95.7 Å²	95.7	7%	0.068	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.3	176.3	-68.6	0	0	0	0	114.5	D33 S35 K59 C63	D33-C37 PolarHBondContact O-N 3.5Å; D33-C37 PolarHBondContact O-SG 2.03Å; S35-C37 VanDerWaalsContact C-N 3.26Å; S35-C37 PolarHBondContact O-N 3.32Å; C37-K59 WeakPolarHBondContact O-CB 3.36Å; C37-K59 WeakPolarHBondContact O-CD 3.48Å; C37-C63 WeakPolarHBondContact CA-SG 3.45Å; C37-C63 HydrophobicContact CB-CB 3.6Å; C37-C63 WeakPolarHBondContact CB-SG 3.39Å; C37-C63 VanDerWaalsContact SG-CA 3.57Å; C37-C63 WeakPolarHBondContact SG-CB 3.45Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.42Å
38	K	88.7	Confident	80.6	Confident	91 Å²	91	95 Å²	95	40%	0.396	47%	0.469	S	S	.	.	S	Bend	trans	-88	149.4	-176.7	-68.1	172.2	-175.2	167.9	0	111.7	S35 K36 K59 E65 M67	S35-K38 PolarHBondContact O-N 3.43Å; K36-K38 PolarHBondContact O-N 3.35Å; K38-K59 PolarHBondContact O-NZ 2.97Å; K38-E65 WeakPolarHBondContact CE-OE2 3.5Å; K38-M67 HydrophobicContact CB-CE 4.37Å; K38-M67 HydrophobicContact CG-CE 3.95Å
39	C	89.2	Confident	80.9	Confident	9 Å²	9	90 Å²	90	6%	0.061	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-90.7	156.1	173.3	-66.3	0	0	0	0	111.4	R41 M67 C84	C39-R41 PolarHBondContact O-N 3.21Å; C39-M67 HydrophobicContact CB-SD 4.23Å; C39-C84 HydrophobicContact CB-CB 3.73Å; C39-C84 WeakPolarHBondContact CB-SG 3.32Å; C39-C84 WeakPolarHBondContact SG-CB 3.32Å; C39-C84 CovalentContact SG-SG 1.98Å; C39-C84 PolarHBondContact SG-SG 3.11Å
40	S	83.6	Confident	81.6	Confident	83 Å²	83	86.7 Å²	86.7	58%	0.58	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-55.4	140	179.4	-179.7	0	0	0	0	110.2	K42	S40-K42 PolarHBondContact O-N 3.13Å; S40-K42 PolarHBondContact OG-N 2.7Å; S40-K42 PolarHBondContact OG-O 3.29Å
41	R	81.1	Confident	82.6	Confident	204 Å²	204	83.6 Å²	83.6	77%	0.77	41%	0.411	S	S	*	.	S	Bend	trans	-67.6	-19.9	176.3	-70.3	-166.3	177.3	-164	2.4	112.7	C39 L89	C39-R41 PolarHBondContact O-N 3.21Å; R41-L89 HydrophobicContact CB-CD1 4.47Å; R41-L89 HydrophobicContact CB-CD2 4.28Å; R41-L89 HydrophobicContact CG-CD2 4.21Å; R41-L89 VanDerWaalsContact O-CD1 3.26Å; R41-L89 WeakPolarHBondContact O-CD1 3.12Å
42	K	79.8	Confident	83.7	Confident	184 Å²	184	81 Å²	81	80%	0.8	41%	0.405	S	S	*	.	S	Bend	trans	-109.1	111.2	177.7	-170.4	176.3	-179.2	-179.9	0	108.7	S40	S40-K42 PolarHBondContact O-N 3.13Å; S40-K42 PolarHBondContact OG-N 2.7Å; S40-K42 PolarHBondContact OG-O 3.29Å
43	G	76.2	Confident	84.9	Confident	32 Å²	32	82.5 Å²	82.5	33%	0.33	41%	0.405	S	S	.	.			trans	-106.6	160.8	175	0	0	0	0	0	112.3
44	P	85	Confident	86.3	Confident	52 Å²	52	80.9 Å²	80.9	34%	0.338	40%	0.396	S	S	.	.			trans	-62.1	148.9	170.9	25.4	-31.4	0	0	0	111.3	I46 Y78 H83	P44-I46 HydrophobicContact CB-CG1 4.46Å; P44-I46 HydrophobicContact CG-CD1 4.28Å; P44-I46 HydrophobicContact CG-CG1 4.16Å; P44-I46 PolarHBondContact O-N 3.39Å; P44-Y78 HydrophobicContact CB-CE1 4.24Å; P44-Y78 WeakPolarHBondContact CB-OH 3.11Å; P44-H83 HydrophobicContact CG-CB 4.33Å
45	K	87.1	Confident	87.6	Confident	196 Å²	196	81.9 Å²	81.9	85%	0.852	39%	0.392	S	S	*	.			trans	-78.9	88.1	173.1	-67	-177.1	-177.6	178.2	0	109.2
46	I	89.9	Confident	88.7	Confident	14 Å²	14	83.4 Å²	83.4	7%	0.072	39%	0.392	C	S	.	.			trans	-80.6	137.2	176.7	-55.9	161.6	0	0	0	108.3	P44 D50 V51 I70 T72 Y78 H83 F95	P44-I46 HydrophobicContact CB-CG1 4.46Å; P44-I46 HydrophobicContact CG-CD1 4.28Å; P44-I46 HydrophobicContact CG-CG1 4.16Å; P44-I46 PolarHBondContact O-N 3.39Å; I46-D50 HydrophobicContact CG2-CB 4.4Å; I46-V51 HydrophobicContact CG2-CG2 3.86Å; I46-I70 HydrophobicContact CD1-CB 4.19Å; I46-I70 HydrophobicContact CD1-CD1 4.01Å; I46-I70 HydrophobicContact CD1-CG2 3.94Å; I46-I70 HydrophobicContact CG2-CG2 4.41Å; I46-T72 HydrophobicContact CG2-CG2 4.29Å; I46-Y78 HydrophobicContact CG1-CE2 4.05Å; I46-H83 HydrophobicContact CD1-CB 3.66Å; I46-H83 VanDerWaalsContact CD1-CD2 3.41Å; I46-H83 WeakPolarHBondContact CD1-CD2 3Å; I46-F95 HydrophobicContact CB-CE2 4.49Å; I46-F95 HydrophobicContact CB-CZ 4.5Å; I46-F95 WeakPolarHBondContact O-CE2 3.29Å
47	R	91.2	Very high	89.2	Confident	153 Å²	153	80.9 Å²	80.9	58%	0.577	38%	0.381	S	S	*	.			trans	-84.5	148.2	172	-61.1	179.7	-66.2	-163.5	4.7	109.7	S49 D50	R47-S49 PolarHBondContact O-N 3.03Å; R47-D50 WeakPolarHBondContact CB-OD2 2.95Å; R47-D50 IonicContact CZ-OD2 3.43Å; R47-D50 IonicContact NE-OD2 2.83Å; R47-D50 PolarHBondContact NE-OD2 2.85Å; R47-D50 IonicContact NH2-OD1 3.38Å; R47-D50 PolarHBondContact NH2-OD1 2.93Å; R47-D50 IonicContact NH2-OD2 3.13Å; R47-D50 PolarHBondContact NH2-OD2 1.98Å; R47-D50 VanDerWaalsContact NH2-OD2 3.13Å; R47-D50 WeakPolarHBondContact O-CB 3.34Å; R47-D50 PolarHBondContact O-N 2.84Å
48	Y	91.9	Very high	89.4	Confident	76 Å²	76	82.9 Å²	82.9	30%	0.298	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-57.7	-38.4	-179.9	-51.1	-45	0	0	0	112.5	D50 V51 F95 W98 Y99	Y48-D50 VanDerWaalsContact C-N 3.26Å; Y48-D50 PolarHBondContact O-N 3.5Å; Y48-V51 WeakPolarHBondContact O-CB 3.14Å; Y48-V51 PolarHBondContact O-N 3.32Å; Y48-F95 HydrophobicContact CD1-CD2 4.07Å; Y48-F95 AromaticContact CD1-CE2 3.56Å; Y48-F95 HydrophobicContact CD1-CE2 3.56Å; Y48-F95 AromaticContact CD1-CZ 3.92Å; Y48-F95 HydrophobicContact CD1-CZ 3.92Å; Y48-F95 AromaticContact CE1-CD2 3.49Å; Y48-F95 HydrophobicContact CE1-CD2 3.49Å; Y48-F95 VanDerWaalsContact CE1-CD2 3.49Å; Y48-F95 AromaticContact CE1-CE2 3.48Å; Y48-F95 HydrophobicContact CE1-CE2 3.48Å; Y48-F95 VanDerWaalsContact CE1-CE2 3.48Å; Y48-F95 HydrophobicContact CE1-CG 4.18Å; Y48-F95 HydrophobicContact CE1-CZ 4.19Å; Y48-W98 HydrophobicContact CE1-CB 4.14Å; Y48-W98 HydrophobicContact CE2-CB 3.94Å; Y48-W98 WeakPolarHBondContact OH-CB 3.31Å; Y48-Y99 HydrophobicContact CD1-CD2 4.39Å
49	S	89.4	Confident	89.5	Confident	56 Å²	56	81.8 Å²	81.8	39%	0.392	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-65.5	-25.4	178	52.9	0	0	0	0	114.3	R47 V51 K73	R47-S49 PolarHBondContact O-N 3.03Å; S49-V51 VanDerWaalsContact C-N 3.34Å; S49-K73 WeakPolarHBondContact O-CD 3.36Å; S49-K73 VanDerWaalsContact O-CE 3.31Å; S49-K73 WeakPolarHBondContact O-CE 3.31Å; S49-K73 PolarHBondContact O-NZ 2.79Å
50	D	93.1	Very high	89.6	Confident	16 Å²	16	86.4 Å²	86.4	9%	0.086	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-83.6	-11	179.3	-66.2	-36.6	0	0	0	112	I46 R47 Y48 T72 K73	I46-D50 HydrophobicContact CG2-CB 4.4Å; R47-D50 WeakPolarHBondContact CB-OD2 2.95Å; R47-D50 IonicContact CZ-OD2 3.43Å; R47-D50 IonicContact NE-OD2 2.83Å; R47-D50 PolarHBondContact NE-OD2 2.85Å; R47-D50 IonicContact NH2-OD1 3.38Å; R47-D50 PolarHBondContact NH2-OD1 2.93Å; R47-D50 IonicContact NH2-OD2 3.13Å; R47-D50 PolarHBondContact NH2-OD2 1.98Å; R47-D50 VanDerWaalsContact NH2-OD2 3.13Å; R47-D50 WeakPolarHBondContact O-CB 3.34Å; R47-D50 PolarHBondContact O-N 2.84Å; Y48-D50 VanDerWaalsContact C-N 3.26Å; Y48-D50 PolarHBondContact O-N 3.5Å; D50-T72 CarbonylContact O-C 3.44Å; D50-T72 VanDerWaalsContact O-CA 3.26Å; D50-T72 WeakPolarHBondContact O-CA 3.26Å; D50-K73 PolarHBondContact O-N 2.85Å
51	V	93.7	Very high	89.8	Confident	1 Å²	1	88.7 Å²	88.7	1%	0.006	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.1	178.2	179.6	0	0	0	0	109.9	I46 Y48 S49 I70 K73 F95 Y99	I46-V51 HydrophobicContact CG2-CG2 3.86Å; Y48-V51 WeakPolarHBondContact O-CB 3.14Å; Y48-V51 PolarHBondContact O-N 3.32Å; S49-V51 VanDerWaalsContact C-N 3.34Å; V51-I70 HydrophobicContact CB-CG2 4.34Å; V51-I70 HydrophobicContact CG1-CG2 3.93Å; V51-I70 HydrophobicContact CG2-CG2 3.74Å; V51-K73 WeakPolarHBondContact O-CE 3.48Å; V51-F95 HydrophobicContact CG2-CE1 4.48Å; V51-F95 HydrophobicContact CG2-CZ 3.89Å; V51-Y99 HydrophobicContact CB-CD2 4.27Å; V51-Y99 HydrophobicContact CB-CE2 3.61Å; V51-Y99 HydrophobicContact CG1-CD2 4.43Å; V51-Y99 HydrophobicContact CG1-CE1 4.48Å; V51-Y99 HydrophobicContact CG1-CE2 3.63Å; V51-Y99 HydrophobicContact CG2-CD2 4.32Å; V51-Y99 HydrophobicContact CG2-CE2 4.15Å
52	K	93.9	Very high	89.9	Confident	147 Å²	147	84.9 Å²	84.9	64%	0.639	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	-46.4	170	-175.8	179.4	178	-178.5	0	110.9	T71 T72 K73	K52-T71 WeakPolarHBondContact CA-O 3.17Å; K52-T71 WeakPolarHBondContact CB-O 3.33Å; K52-T71 PolarHBondContact N-O 3.24Å; K52-T72 WeakPolarHBondContact CB-O 3.45Å; K52-K73 HydrophobicContact CB-CG 3.84Å
53	K	93.7	Very high	90.3	Very high	109 Å²	109	76.5 Å²	76.5	47%	0.474	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	143.7	-176.7	-161	-178.7	-168.3	-174.2	0	110.6	E55 T71	K53-E55 HydrophobicContact CD-CG 3.96Å; K53-E55 WeakPolarHBondContact CE-OE1 3.43Å; K53-E55 HydrophobicContact CG-CG 4.09Å; K53-E55 IonicContact NZ-OE1 3.75Å; K53-E55 PolarHBondContact NZ-OE1 3.47Å; K53-T71 PolarHBondContact N-O 3.28Å; K53-T71 VanDerWaalsContact N-O 3.12Å; K53-T71 PolarHBondContact O-N 3.21Å
54	L	94.3	Very high	90.8	Very high	38 Å²	38	84.2 Å²	84.2	20%	0.199	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.1	171.8	-172.2	158.6	0	0	0	108.5	V68 I70 F95 I96 Y99	L54-V68 HydrophobicContact CD1-CG1 4.47Å; L54-V68 HydrophobicContact CD2-CG1 4.21Å; L54-V68 HydrophobicContact CG-CG1 4.22Å; L54-I70 HydrophobicContact CG-CG1 4.46Å; L54-F95 HydrophobicContact CD1-CE1 4.34Å; L54-I96 HydrophobicContact CD1-CG1 4.17Å; L54-Y99 HydrophobicContact CB-CD1 4.35Å; L54-Y99 HydrophobicContact CB-CE1 3.82Å; L54-Y99 HydrophobicContact CD1-CD1 3.61Å; L54-Y99 HydrophobicContact CD1-CE1 3.96Å; L54-Y99 HydrophobicContact CD1-CG 4.29Å
55	E	95	Very high	90.9	Very high	55 Å²	55	84.3 Å²	84.3	26%	0.257	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.1	178.9	-61.6	-175.5	141.6	0	0	111	K53 K57 I69	K53-E55 HydrophobicContact CD-CG 3.96Å; K53-E55 WeakPolarHBondContact CE-OE1 3.43Å; K53-E55 HydrophobicContact CG-CG 4.09Å; K53-E55 IonicContact NZ-OE1 3.75Å; K53-E55 PolarHBondContact NZ-OE1 3.47Å; E55-K57 IonicContact OE2-NZ 3.31Å; E55-K57 PolarHBondContact OE2-NZ 3.16Å; E55-I69 PolarHBondContact N-O 3.46Å; E55-I69 PolarHBondContact O-N 3.14Å
56	M	94.9	Very high	91.2	Very high	107 Å²	107	81.3 Å²	81.3	53%	0.527	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	97.7	166.2	-68.2	-165.3	-172.5	0	0	109.4	M67 V68 I96	M56-M67 CarbonylContact C-O 3.59Å; M56-M67 WeakPolarHBondContact CA-O 3.47Å; M56-V68 HydrophobicContact CG-CG2 4.48Å; M56-I96 HydrophobicContact CE-CD1 3.88Å
57	K	94.3	Very high	91.4	Very high	65 Å²	65	80.6 Å²	80.6	28%	0.283	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.6	-177.9	65.8	-178	177.6	-161	0	110.9	E55 M67 I69 E82	E55-K57 IonicContact OE2-NZ 3.31Å; E55-K57 PolarHBondContact OE2-NZ 3.16Å; K57-M67 PolarHBondContact N-O 2.93Å; K57-M67 PolarHBondContact O-N 3.34Å; K57-M67 VanDerWaalsContact O-O 3.05Å; K57-I69 HydrophobicContact CD-CG1 4.16Å; K57-I69 HydrophobicContact CG-CB 4.2Å; K57-I69 HydrophobicContact CG-CG1 3.5Å; K57-I69 VanDerWaalsContact CG-CG1 3.5Å; K57-E82 IonicContact NZ-OE1 3.95Å; K57-E82 IonicContact NZ-OE2 3.92Å
58	P	92.5	Very high	91.5	Very high	52 Å²	52	73.3 Å²	73.3	34%	0.338	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	147.9	173.4	28.5	-35.6	0	0	0	110.2	Y60 C63	P58-Y60 VanDerWaalsContact C-N 3.32Å; P58-Y60 PolarHBondContact O-N 2.91Å; P58-C63 HydrophobicContact CB-CB 4.21Å; P58-C63 WeakPolarHBondContact CB-O 3.42Å
59	K	90.6	Very high	91.7	Very high	68 Å²	68	70.2 Å²	70.2	30%	0.296	34%	0.342	S	S	.	.	S	Bend	trans	-65.5	-37.8	-179.3	-173	-172.5	178.3	-171.2	0	112	K36 C37 K38 M67	K36-K59 WeakPolarHBondContact O-CD 3.39Å; K36-K59 PolarHBondContact O-NZ 2.83Å; C37-K59 WeakPolarHBondContact O-CB 3.36Å; C37-K59 WeakPolarHBondContact O-CD 3.48Å; K38-K59 PolarHBondContact O-NZ 2.97Å; K59-M67 HydrophobicContact CB-CG 4.18Å
60	Y	89.6	Confident	91.9	Very high	107 Å²	107	67.5 Å²	67.5	42%	0.42	32%	0.323	S	S	.	.	S	Bend	trans	-136.4	158	176.3	-57.6	-68	0	0	0	110.1	P58 H62 C63	P58-Y60 VanDerWaalsContact C-N 3.32Å; P58-Y60 PolarHBondContact O-N 2.91Å; Y60-H62 WeakPolarHBondContact CB-CE1 3.01Å; Y60-H62 AromaticContact CG-CE1 3.85Å; Y60-H62 PolarHBondContact O-N 2.8Å; Y60-C63 VanDerWaalsContact O-CB 3.32Å; Y60-C63 WeakPolarHBondContact O-CB 3.01Å; Y60-C63 PolarHBondContact O-N 3.02Å
61	P	88	Confident	92	Very high	131 Å²	131	67.9 Å²	67.9	85%	0.851	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.9	-175.9	-26.3	35.3	0	0	0	115.3	C63	P61-C63 VanDerWaalsContact C-N 3.28Å; P61-C63 PolarHBondContact O-N 3.46Å
62	H	84	Confident	92.1	Very high	124 Å²	124	67.8 Å²	67.8	57%	0.574	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.4	178.7	57.7	-91.2	0	0	0	113.5	Y60	Y60-H62 WeakPolarHBondContact CB-CE1 3.01Å; Y60-H62 AromaticContact CG-CE1 3.85Å; Y60-H62 PolarHBondContact O-N 2.8Å
63	C	87.8	Confident	92.2	Very high	8 Å²	8	63.9 Å²	63.9	5%	0.054	31%	0.308	C	S	.	.			trans	-97.5	131.3	-177.4	-62	0	0	0	0	111	C37 P58 Y60 P61	C37-C63 WeakPolarHBondContact CA-SG 3.45Å; C37-C63 HydrophobicContact CB-CB 3.6Å; C37-C63 WeakPolarHBondContact CB-SG 3.39Å; C37-C63 VanDerWaalsContact SG-CA 3.57Å; C37-C63 WeakPolarHBondContact SG-CB 3.45Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.42Å; P58-C63 HydrophobicContact CB-CB 4.21Å; P58-C63 WeakPolarHBondContact CB-O 3.42Å; Y60-C63 VanDerWaalsContact O-CB 3.32Å; Y60-C63 WeakPolarHBondContact O-CB 3.01Å; Y60-C63 PolarHBondContact O-N 3.02Å; P61-C63 VanDerWaalsContact C-N 3.28Å; P61-C63 PolarHBondContact O-N 3.46Å
64	E	86.2	Confident	92.1	Very high	193 Å²	193	63.1 Å²	63.1	90%	0.902	32%	0.317	S	S	*	.			trans	-82.8	-35.4	175.3	-62.1	175.9	-175.1	0	0	112.3	K66	E64-K66 PolarHBondContact O-N 3.25Å
65	E	88.7	Confident	92	Very high	54 Å²	54	67.6 Å²	67.6	25%	0.252	35%	0.345	S	S	.	.	S	Bend	trans	-73.1	120.2	-175.8	-163.9	175	-165.5	0	0	111	K38 M67 H86 K88	K38-E65 WeakPolarHBondContact CE-OE2 3.5Å; E65-M67 HydrophobicContact CB-CE 4Å; E65-M67 HydrophobicContact CG-CE 3.7Å; E65-H86 IonicContact OE1-CE1 3.91Å; E65-K88 WeakPolarHBondContact OE1-CE 3.28Å; E65-K88 IonicContact OE1-NZ 3.02Å; E65-K88 PolarHBondContact OE1-NZ 3.02Å
66	K	92.1	Very high	91.8	Very high	133 Å²	133	65.4 Å²	65.4	58%	0.578	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	136.1	175.9	-63.6	-176.9	-178.2	-179	0	110.6	E64 P87	E64-K66 PolarHBondContact O-N 3.25Å; K66-P87 WeakPolarHBondContact O-CG 3.26Å
67	M	93.6	Very high	91.5	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	164.8	172.3	-61.7	-67.9	145	0	0	109.8	K38 C39 M56 K57 K59 E65 I69 C84	K38-M67 HydrophobicContact CB-CE 4.37Å; K38-M67 HydrophobicContact CG-CE 3.95Å; C39-M67 HydrophobicContact CB-SD 4.23Å; M56-M67 CarbonylContact C-O 3.59Å; M56-M67 WeakPolarHBondContact CA-O 3.47Å; K57-M67 PolarHBondContact N-O 2.93Å; K57-M67 PolarHBondContact O-N 3.34Å; K57-M67 VanDerWaalsContact O-O 3.05Å; K59-M67 HydrophobicContact CB-CG 4.18Å; E65-M67 HydrophobicContact CB-CE 4Å; E65-M67 HydrophobicContact CG-CE 3.7Å; M67-I69 HydrophobicContact CB-CD1 4.29Å; M67-C84 WeakPolarHBondContact CB-SG 3.33Å
68	V	94.7	Very high	91.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110	178.6	-179.1	0	0	0	0	107.4	L54 M56 I70 L85 P87 T92 I96	L54-V68 HydrophobicContact CD1-CG1 4.47Å; L54-V68 HydrophobicContact CD2-CG1 4.21Å; L54-V68 HydrophobicContact CG-CG1 4.22Å; M56-V68 HydrophobicContact CG-CG2 4.48Å; V68-I70 HydrophobicContact CG1-CG1 4.31Å; V68-L85 HydrophobicContact CB-CB 4.21Å; V68-L85 PolarHBondContact N-O 3.41Å; V68-L85 PolarHBondContact O-N 3.43Å; V68-P87 HydrophobicContact CG2-CB 3.99Å; V68-T92 HydrophobicContact CB-CG2 4.13Å; V68-T92 HydrophobicContact CG1-CG2 4.4Å; V68-T92 HydrophobicContact CG2-CG2 3.86Å; V68-I96 HydrophobicContact CG1-CD1 4.13Å; V68-I96 HydrophobicContact CG1-CG1 4.3Å; V68-I96 HydrophobicContact CG2-CD1 3.77Å
69	I	94.8	Very high	91.3	Very high	10 Å²	10	75 Å²	75	5%	0.051	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.7	179.3	-50.5	-57	0	0	0	108.5	E55 K57 M67 E82 H83 C84	E55-I69 PolarHBondContact N-O 3.46Å; E55-I69 PolarHBondContact O-N 3.14Å; K57-I69 HydrophobicContact CD-CG1 4.16Å; K57-I69 HydrophobicContact CG-CB 4.2Å; K57-I69 HydrophobicContact CG-CG1 3.5Å; K57-I69 VanDerWaalsContact CG-CG1 3.5Å; M67-I69 HydrophobicContact CB-CD1 4.29Å; I69-E82 HydrophobicContact CG2-CB 4.09Å; I69-E82 HydrophobicContact CG2-CG 4.41Å; I69-H83 WeakPolarHBondContact CA-O 3.48Å; I69-C84 HydrophobicContact CD1-CB 3.64Å; I69-C84 WeakPolarHBondContact CD1-SG 3.27Å
70	I	94.7	Very high	91.3	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.6	-179.6	-62.5	172.2	0	0	0	107.8	I46 V51 L54 V68 E82 H83 L85 F95	I46-I70 HydrophobicContact CD1-CB 4.19Å; I46-I70 HydrophobicContact CD1-CD1 4.01Å; I46-I70 HydrophobicContact CD1-CG2 3.94Å; I46-I70 HydrophobicContact CG2-CG2 4.41Å; V51-I70 HydrophobicContact CB-CG2 4.34Å; V51-I70 HydrophobicContact CG1-CG2 3.93Å; V51-I70 HydrophobicContact CG2-CG2 3.74Å; L54-I70 HydrophobicContact CG-CG1 4.46Å; V68-I70 HydrophobicContact CG1-CG1 4.31Å; I70-E82 CarbonylContact O-C 3.52Å; I70-E82 WeakPolarHBondContact O-CA 3.43Å; I70-H83 PolarHBondContact N-O 2.82Å; I70-H83 PolarHBondContact O-N 3.23Å; I70-L85 HydrophobicContact CD1-CD1 3.41Å; I70-L85 VanDerWaalsContact CD1-CD1 3.41Å; I70-L85 HydrophobicContact CD1-CG 4.1Å; I70-F95 HydrophobicContact CD1-CD1 3.97Å; I70-F95 HydrophobicContact CD1-CE1 3.37Å; I70-F95 HydrophobicContact CD1-CZ 3.91Å; I70-F95 HydrophobicContact CG1-CE1 4.37Å
71	T	95.6	Very high	91.6	Very high	23 Å²	23	73.6 Å²	73.6	14%	0.141	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.3	170.1	-46.2	0	0	0	0	108.3	K52 K53 E82	K52-T71 WeakPolarHBondContact CA-O 3.17Å; K52-T71 WeakPolarHBondContact CB-O 3.33Å; K52-T71 PolarHBondContact N-O 3.24Å; K53-T71 PolarHBondContact N-O 3.28Å; K53-T71 VanDerWaalsContact N-O 3.12Å; K53-T71 PolarHBondContact O-N 3.21Å; T71-E82 HydrophobicContact CG2-CG 4.25Å; T71-E82 PolarHBondContact OG1-OE1 3.33Å
72	T	95.4	Very high	91.8	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	165.9	179.3	59.2	0	0	0	0	111.7	I46 D50 K52 S76 Y78 G80 Q81	I46-T72 HydrophobicContact CG2-CG2 4.29Å; D50-T72 CarbonylContact O-C 3.44Å; D50-T72 VanDerWaalsContact O-CA 3.26Å; D50-T72 WeakPolarHBondContact O-CA 3.26Å; K52-T72 WeakPolarHBondContact CB-O 3.45Å; T72-S76 WeakPolarHBondContact CB-OG 2.98Å; T72-Y78 HydrophobicContact CG2-CD2 3.92Å; T72-Y78 HydrophobicContact CG2-CG 4.24Å; T72-Y78 WeakPolarHBondContact OG1-CB 3.43Å; T72-G80 WeakPolarHBondContact O-CA 3.33Å; T72-G80 WeakPolarHBondContact OG1-CA 3.41Å; T72-G80 PolarHBondContact OG1-N 3.29Å; T72-Q81 PolarHBondContact N-O 3.31Å; T72-Q81 PolarHBondContact OG1-N 3.46Å; T72-Q81 VanDerWaalsContact OG1-N 3.11Å; T72-Q81 PolarHBondContact OG1-O 2.95Å
73	K	94.9	Very high	92.2	Very high	64 Å²	64	67.9 Å²	67.9	28%	0.278	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-75.9	148.4	172.1	-67.3	177.6	-178.9	168.5	0	109.9	S49 D50 V51 K52 V75 S76 G80	S49-K73 WeakPolarHBondContact O-CD 3.36Å; S49-K73 VanDerWaalsContact O-CE 3.31Å; S49-K73 WeakPolarHBondContact O-CE 3.31Å; S49-K73 PolarHBondContact O-NZ 2.79Å; D50-K73 PolarHBondContact O-N 2.85Å; V51-K73 WeakPolarHBondContact O-CE 3.48Å; K52-K73 HydrophobicContact CB-CG 3.84Å; K73-V75 HydrophobicContact CB-CG2 4.09Å; K73-V75 PolarHBondContact O-N 2.61Å; K73-S76 VanDerWaalsContact O-CB 3.28Å; K73-S76 WeakPolarHBondContact O-CB 3.17Å; K73-S76 PolarHBondContact O-N 3.35Å; K73-S76 PolarHBondContact O-OG 2.91Å; K73-G80 PolarHBondContact O-N 2.87Å; K73-G80 VanDerWaalsContact O-N 3.14Å
74	S	93.1	Very high	92.4	Very high	93 Å²	93	69.2 Å²	69.2	65%	0.65	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.2	175.6	50	0	0	0	0	112.7	S76 R79	S74-S76 VanDerWaalsContact C-N 3.26Å; S74-S76 PolarHBondContact O-N 3.49Å; S74-R79 WeakPolarHBondContact O-CA 3.19Å
75	V	91.7	Very high	92.8	Very high	132 Å²	132	60.7 Å²	60.7	80%	0.8	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.7	176.7	-61.7	0	0	0	0	114	K73	K73-V75 HydrophobicContact CB-CG2 4.09Å; K73-V75 PolarHBondContact O-N 2.61Å
76	S	90.4	Very high	93	Very high	9 Å²	9	58.9 Å²	58.9	6%	0.063	29%	0.288	C	S	.	.	S	Bend	trans	-78.8	168.5	177.8	77.6	0	0	0	0	111.5	T72 K73 S74 Y78 R79	T72-S76 WeakPolarHBondContact CB-OG 2.98Å; K73-S76 VanDerWaalsContact O-CB 3.28Å; K73-S76 WeakPolarHBondContact O-CB 3.17Å; K73-S76 PolarHBondContact O-N 3.35Å; K73-S76 PolarHBondContact O-OG 2.91Å; S74-S76 VanDerWaalsContact C-N 3.26Å; S74-S76 PolarHBondContact O-N 3.49Å; S76-Y78 PolarHBondContact O-N 3.12Å; S76-Y78 PolarHBondContact OG-N 2.82Å; S76-R79 PolarHBondContact O-N 3.41Å
77	R	89.6	Confident	93	Very high	182 Å²	182	54.1 Å²	54.1	69%	0.687	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.1	173.6	69.9	178.1	-68.6	168.6	4.6	114.6
78	Y	90.6	Very high	92.9	Very high	33 Å²	33	60.5 Å²	60.5	13%	0.129	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	0.4	-177.3	-59.3	-67	0	0	0	113	P44 I46 T72 S76 G80 Q81 H83	P44-Y78 HydrophobicContact CB-CE1 4.24Å; P44-Y78 WeakPolarHBondContact CB-OH 3.11Å; I46-Y78 HydrophobicContact CG1-CE2 4.05Å; T72-Y78 HydrophobicContact CG2-CD2 3.92Å; T72-Y78 HydrophobicContact CG2-CG 4.24Å; T72-Y78 WeakPolarHBondContact OG1-CB 3.43Å; S76-Y78 PolarHBondContact O-N 3.12Å; S76-Y78 PolarHBondContact OG-N 2.82Å; Y78-G80 VanDerWaalsContact C-N 3.3Å; Y78-G80 PolarHBondContact O-N 3.5Å; Y78-G80 VanDerWaalsContact O-N 3.14Å; Y78-Q81 VanDerWaalsContact O-CB 3.24Å; Y78-Q81 WeakPolarHBondContact O-CB 3.32Å; Y78-Q81 WeakPolarHBondContact O-CG 3.43Å; Y78-Q81 PolarHBondContact O-N 2.9Å; Y78-H83 AromaticContact CD1-CE1 3.75Å; Y78-H83 AromaticContact CD1-NE2 3.29Å; Y78-H83 VanDerWaalsContact CD1-NE2 3.29Å; Y78-H83 WeakPolarHBondContact CD1-NE2 3.42Å; Y78-H83 AromaticContact CD2-NE2 3.71Å; Y78-H83 AromaticContact CE1-NE2 3.87Å; Y78-H83 AromaticContact CG-NE2 3.2Å
79	R	91.4	Very high	92.7	Very high	210 Å²	210	62.1 Å²	62.1	79%	0.792	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	39.5	169.5	-55.6	-172.9	-177.4	-167.3	1.1	115.7	S74 S76	S74-R79 WeakPolarHBondContact O-CA 3.19Å; S76-R79 PolarHBondContact O-N 3.41Å
80	G	91.4	Very high	92.6	Very high	31 Å²	31	67.3 Å²	67.3	32%	0.32	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	2	178	0	0	0	0	0	115.1	T72 K73 Y78	T72-G80 WeakPolarHBondContact O-CA 3.33Å; T72-G80 WeakPolarHBondContact OG1-CA 3.41Å; T72-G80 PolarHBondContact OG1-N 3.29Å; K73-G80 PolarHBondContact O-N 2.87Å; K73-G80 VanDerWaalsContact O-N 3.14Å; Y78-G80 VanDerWaalsContact C-N 3.3Å; Y78-G80 PolarHBondContact O-N 3.5Å; Y78-G80 VanDerWaalsContact O-N 3.14Å
81	Q	93.8	Very high	92.5	Very high	115 Å²	115	71 Å²	71	54%	0.537	36%	0.357	S	S	.	.			trans	-61.4	149.7	177.1	-72.9	175.3	-7.5	0	0	112.2	T72 Y78	T72-Q81 PolarHBondContact N-O 3.31Å; T72-Q81 PolarHBondContact OG1-N 3.46Å; T72-Q81 VanDerWaalsContact OG1-N 3.11Å; T72-Q81 PolarHBondContact OG1-O 2.95Å; Y78-Q81 VanDerWaalsContact O-CB 3.24Å; Y78-Q81 WeakPolarHBondContact O-CB 3.32Å; Y78-Q81 WeakPolarHBondContact O-CG 3.43Å; Y78-Q81 PolarHBondContact O-N 2.9Å
82	E	92.9	Very high	92.3	Very high	110 Å²	110	70 Å²	70	51%	0.514	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.6	169.3	-61.8	-163.2	151	0	0	110.7	K57 I69 I70 T71	K57-E82 IonicContact NZ-OE1 3.95Å; K57-E82 IonicContact NZ-OE2 3.92Å; I69-E82 HydrophobicContact CG2-CB 4.09Å; I69-E82 HydrophobicContact CG2-CG 4.41Å; I70-E82 CarbonylContact O-C 3.52Å; I70-E82 WeakPolarHBondContact O-CA 3.43Å; T71-E82 HydrophobicContact CG2-CG 4.25Å; T71-E82 PolarHBondContact OG1-OE1 3.33Å
83	H	93.2	Very high	92.3	Very high	25 Å²	25	75 Å²	75	12%	0.116	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.9	175	-64.1	-54	0	0	0	109.8	P44 I46 I69 I70 Y78	P44-H83 HydrophobicContact CG-CB 4.33Å; I46-H83 HydrophobicContact CD1-CB 3.66Å; I46-H83 VanDerWaalsContact CD1-CD2 3.41Å; I46-H83 WeakPolarHBondContact CD1-CD2 3Å; I69-H83 WeakPolarHBondContact CA-O 3.48Å; I70-H83 PolarHBondContact N-O 2.82Å; I70-H83 PolarHBondContact O-N 3.23Å; Y78-H83 AromaticContact CD1-CE1 3.75Å; Y78-H83 AromaticContact CD1-NE2 3.29Å; Y78-H83 VanDerWaalsContact CD1-NE2 3.29Å; Y78-H83 WeakPolarHBondContact CD1-NE2 3.42Å; Y78-H83 AromaticContact CD2-NE2 3.71Å; Y78-H83 AromaticContact CE1-NE2 3.87Å; Y78-H83 AromaticContact CG-NE2 3.2Å
84	C	92.7	Very high	92.3	Very high	36 Å²	36	80 Å²	80	24%	0.243	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132	176.7	-169.4	0	0	0	0	112	C39 M67 I69	C39-C84 HydrophobicContact CB-CB 3.73Å; C39-C84 WeakPolarHBondContact CB-SG 3.32Å; C39-C84 WeakPolarHBondContact SG-CB 3.32Å; C39-C84 CovalentContact SG-SG 1.98Å; C39-C84 PolarHBondContact SG-SG 3.11Å; M67-C84 WeakPolarHBondContact CB-SG 3.33Å; I69-C84 HydrophobicContact CD1-CB 3.64Å; I69-C84 WeakPolarHBondContact CD1-SG 3.27Å
85	L	93	Very high	92.3	Very high	15 Å²	15	76.8 Å²	76.8	8%	0.079	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.2	174.8	-56.3	-178.1	0	0	0	111.2	V68 I70 T92	V68-L85 HydrophobicContact CB-CB 4.21Å; V68-L85 PolarHBondContact N-O 3.41Å; V68-L85 PolarHBondContact O-N 3.43Å; I70-L85 HydrophobicContact CD1-CD1 3.41Å; I70-L85 VanDerWaalsContact CD1-CD1 3.41Å; I70-L85 HydrophobicContact CD1-CG 4.1Å; L85-T92 HydrophobicContact CB-CG2 3.75Å; L85-T92 HydrophobicContact CD1-CG2 4.19Å
86	H	93.3	Very high	92.4	Very high	15 Å²	15	71.6 Å²	71.6	7%	0.069	33%	0.332	C	S	.	.			trans	-86.9	121.8	179.9	-166.5	-44.3	0	0	0	111	E65 K88 L89 T92	E65-H86 IonicContact OE1-CE1 3.91Å; H86-K88 VanDerWaalsContact C-N 3.32Å; H86-K88 PolarHBondContact ND1-N 3.06Å; H86-K88 PolarHBondContact O-N 3.45Å; H86-L89 HydrophobicContact CB-CD1 3.86Å; H86-L89 HydrophobicContact CB-CG 4.05Å; H86-L89 WeakPolarHBondContact O-CB 3.46Å; H86-L89 PolarHBondContact O-N 2.95Å; H86-L89 VanDerWaalsContact O-N 3.14Å; H86-T92 WeakPolarHBondContact O-CB 3.39Å; H86-T92 PolarHBondContact O-OG1 3.49Å
87	P	92.5	Very high	92.6	Very high	33 Å²	33	78.7 Å²	78.7	21%	0.214	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.8	-171.2	25	-35.9	0	0	0	114.5	K66 V68 L89 K93	K66-P87 WeakPolarHBondContact O-CG 3.26Å; V68-P87 HydrophobicContact CG2-CB 3.99Å; P87-L89 PolarHBondContact O-N 3.27Å; P87-K93 WeakPolarHBondContact O-CE 3.33Å; P87-K93 WeakPolarHBondContact O-CG 3.45Å
88	K	90.6	Very high	92.8	Very high	135 Å²	135	77.3 Å²	77.3	59%	0.587	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.1	176.4	-63	-177.9	177.8	150.6	0	113.9	E65 H86	E65-K88 WeakPolarHBondContact OE1-CE 3.28Å; E65-K88 IonicContact OE1-NZ 3.02Å; E65-K88 PolarHBondContact OE1-NZ 3.02Å; H86-K88 VanDerWaalsContact C-N 3.32Å; H86-K88 PolarHBondContact ND1-N 3.06Å; H86-K88 PolarHBondContact O-N 3.45Å
89	L	91.9	Very high	92.9	Very high	33 Å²	33	76.6 Å²	76.6	17%	0.173	35%	0.353	C	S	.	.	S	Bend	trans	-73.9	135.7	178.6	-62.1	169.7	0	0	0	111.5	R41 H86 P87 S91 T92 K93	R41-L89 HydrophobicContact CB-CD1 4.47Å; R41-L89 HydrophobicContact CB-CD2 4.28Å; R41-L89 HydrophobicContact CG-CD2 4.21Å; R41-L89 VanDerWaalsContact O-CD1 3.26Å; R41-L89 WeakPolarHBondContact O-CD1 3.12Å; H86-L89 HydrophobicContact CB-CD1 3.86Å; H86-L89 HydrophobicContact CB-CG 4.05Å; H86-L89 WeakPolarHBondContact O-CB 3.46Å; H86-L89 PolarHBondContact O-N 2.95Å; H86-L89 VanDerWaalsContact O-N 3.14Å; P87-L89 PolarHBondContact O-N 3.27Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 3.46Å; L89-T92 PolarHBondContact O-N 2.74Å; L89-T92 VanDerWaalsContact O-N 3.16Å; L89-K93 PolarHBondContact O-N 3.25Å
90	Q	93.1	Very high	93	Very high	119 Å²	119	70.7 Å²	70.7	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-62.2	-34.9	176.6	-67.9	-63.1	-15.2	0	0	112.5	K93 R94	Q90-K93 PolarHBondContact O-N 2.91Å; Q90-R94 WeakPolarHBondContact O-CB 3.33Å; Q90-R94 VanDerWaalsContact O-CG 3.27Å; Q90-R94 WeakPolarHBondContact O-CG 3.45Å; Q90-R94 PolarHBondContact O-N 3.02Å
91	S	91.6	Very high	93.1	Very high	77 Å²	77	71.3 Å²	71.3	54%	0.538	34%	0.339	S	S	.	.	H	α-helix	trans	-60.5	-43.9	174.1	51	0	0	0	0	112	L89 R94 F95	L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 3.46Å; S91-R94 PolarHBondContact O-N 3.14Å; S91-F95 VanDerWaalsContact O-CB 3.31Å; S91-F95 WeakPolarHBondContact O-CB 3.49Å; S91-F95 PolarHBondContact O-N 3.02Å
92	T	92.5	Very high	93	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-67.4	-43.2	177.7	-55	0	0	0	0	111.7	V68 L85 H86 L89 R94 F95 I96	V68-T92 HydrophobicContact CB-CG2 4.13Å; V68-T92 HydrophobicContact CG1-CG2 4.4Å; V68-T92 HydrophobicContact CG2-CG2 3.86Å; L85-T92 HydrophobicContact CB-CG2 3.75Å; L85-T92 HydrophobicContact CD1-CG2 4.19Å; H86-T92 WeakPolarHBondContact O-CB 3.39Å; H86-T92 PolarHBondContact O-OG1 3.49Å; L89-T92 PolarHBondContact O-N 2.74Å; L89-T92 VanDerWaalsContact O-N 3.16Å; T92-R94 PolarHBondContact O-N 3.31Å; T92-F95 WeakPolarHBondContact O-CB 3.24Å; T92-F95 PolarHBondContact O-N 3.12Å; T92-I96 HydrophobicContact CG2-CD1 4Å; T92-I96 WeakPolarHBondContact O-CG1 3.43Å; T92-I96 PolarHBondContact O-N 2.79Å
93	K	94.1	Very high	92.9	Very high	105 Å²	105	67.2 Å²	67.2	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-58.5	-46.5	174.4	-68.8	-179.8	179.4	-177.5	0	111.9	P87 L89 Q90 I96 K97	P87-K93 WeakPolarHBondContact O-CE 3.33Å; P87-K93 WeakPolarHBondContact O-CG 3.45Å; L89-K93 PolarHBondContact O-N 3.25Å; Q90-K93 PolarHBondContact O-N 2.91Å; K93-I96 PolarHBondContact O-N 3.11Å; K93-K97 WeakPolarHBondContact O-CB 3.41Å; K93-K97 PolarHBondContact O-N 3Å
94	R	94.4	Very high	92.8	Very high	169 Å²	169	70.4 Å²	70.4	64%	0.638	33%	0.333	S	S	*	.	H	α-helix	trans	-62.1	-46	175.6	-72.1	175.8	-172.8	-175.6	1.9	111.1	Q90 S91 T92 I96 K97 W98	Q90-R94 WeakPolarHBondContact O-CB 3.33Å; Q90-R94 VanDerWaalsContact O-CG 3.27Å; Q90-R94 WeakPolarHBondContact O-CG 3.45Å; Q90-R94 PolarHBondContact O-N 3.02Å; S91-R94 PolarHBondContact O-N 3.14Å; T92-R94 PolarHBondContact O-N 3.31Å; R94-I96 PolarHBondContact O-N 3.29Å; R94-K97 PolarHBondContact O-N 3.24Å; R94-W98 PolarHBondContact O-N 3.44Å
95	F	93.2	Very high	92.6	Very high	26 Å²	26	75.6 Å²	75.6	11%	0.114	35%	0.352	C	S	.	.	H	α-helix	trans	-56	-49.8	178	-179.4	-88.1	0	0	0	111.5	I46 Y48 V51 L54 I70 S91 T92 K97 W98 Y99	I46-F95 HydrophobicContact CB-CE2 4.49Å; I46-F95 HydrophobicContact CB-CZ 4.5Å; I46-F95 WeakPolarHBondContact O-CE2 3.29Å; Y48-F95 HydrophobicContact CD1-CD2 4.07Å; Y48-F95 AromaticContact CD1-CE2 3.56Å; Y48-F95 HydrophobicContact CD1-CE2 3.56Å; Y48-F95 AromaticContact CD1-CZ 3.92Å; Y48-F95 HydrophobicContact CD1-CZ 3.92Å; Y48-F95 AromaticContact CE1-CD2 3.49Å; Y48-F95 HydrophobicContact CE1-CD2 3.49Å; Y48-F95 VanDerWaalsContact CE1-CD2 3.49Å; Y48-F95 AromaticContact CE1-CE2 3.48Å; Y48-F95 HydrophobicContact CE1-CE2 3.48Å; Y48-F95 VanDerWaalsContact CE1-CE2 3.48Å; Y48-F95 HydrophobicContact CE1-CG 4.18Å; Y48-F95 HydrophobicContact CE1-CZ 4.19Å; V51-F95 HydrophobicContact CG2-CE1 4.48Å; V51-F95 HydrophobicContact CG2-CZ 3.89Å; L54-F95 HydrophobicContact CD1-CE1 4.34Å; I70-F95 HydrophobicContact CD1-CD1 3.97Å; I70-F95 HydrophobicContact CD1-CE1 3.37Å; I70-F95 HydrophobicContact CD1-CZ 3.91Å; I70-F95 HydrophobicContact CG1-CE1 4.37Å; S91-F95 VanDerWaalsContact O-CB 3.31Å; S91-F95 WeakPolarHBondContact O-CB 3.49Å; S91-F95 PolarHBondContact O-N 3.02Å; T92-F95 WeakPolarHBondContact O-CB 3.24Å; T92-F95 PolarHBondContact O-N 3.12Å; F95-K97 PolarHBondContact O-N 3.36Å; F95-W98 PolarHBondContact O-N 3.22Å; F95-Y99 WeakPolarHBondContact O-CB 3.48Å; F95-Y99 PolarHBondContact O-N 3.01Å
96	I	93.6	Very high	92.3	Very high	23 Å²	23	78.3 Å²	78.3	12%	0.118	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-46.9	178.2	-66.1	159.8	0	0	0	110.9	L54 M56 V68 T92 K93 R94 W98 Y99 N100	L54-I96 HydrophobicContact CD1-CG1 4.17Å; M56-I96 HydrophobicContact CE-CD1 3.88Å; V68-I96 HydrophobicContact CG1-CD1 4.13Å; V68-I96 HydrophobicContact CG1-CG1 4.3Å; V68-I96 HydrophobicContact CG2-CD1 3.77Å; T92-I96 HydrophobicContact CG2-CD1 4Å; T92-I96 WeakPolarHBondContact O-CG1 3.43Å; T92-I96 PolarHBondContact O-N 2.79Å; K93-I96 PolarHBondContact O-N 3.11Å; R94-I96 PolarHBondContact O-N 3.29Å; I96-W98 PolarHBondContact O-N 2.92Å; I96-Y99 PolarHBondContact O-N 3.31Å; I96-N100 WeakPolarHBondContact O-CB 3.38Å; I96-N100 PolarHBondContact O-N 3.3Å; I96-N100 PolarHBondContact O-OD1 3.44Å
97	K	95	Very high	91.9	Very high	158 Å²	158	83 Å²	83	69%	0.687	38%	0.378	S	S	*	.	H	α-helix	trans	-56.9	-49.6	179.4	-176.7	179.8	178.9	179.2	0	111.6	K93 R94 F95 A101	K93-K97 WeakPolarHBondContact O-CB 3.41Å; K93-K97 PolarHBondContact O-N 3Å; R94-K97 PolarHBondContact O-N 3.24Å; F95-K97 PolarHBondContact O-N 3.36Å; K97-A101 PolarHBondContact O-N 3.19Å; K97-A101 VanDerWaalsContact O-N 3.12Å
98	W	94	Very high	91.5	Very high	153 Å²	153	85.6 Å²	85.6	58%	0.58	39%	0.393	S	S	*	.	H	α-helix	trans	-70.5	-37.2	-179.8	-73.6	117.6	0	0	0	112.8	Y48 R94 F95 I96 A101 W102	Y48-W98 HydrophobicContact CE1-CB 4.14Å; Y48-W98 HydrophobicContact CE2-CB 3.94Å; Y48-W98 WeakPolarHBondContact OH-CB 3.31Å; R94-W98 PolarHBondContact O-N 3.44Å; F95-W98 PolarHBondContact O-N 3.22Å; I96-W98 PolarHBondContact O-N 2.92Å; W98-A101 PolarHBondContact O-N 3.32Å; W98-W102 VanDerWaalsContact O-CB 3.31Å; W98-W102 WeakPolarHBondContact O-CB 3.31Å; W98-W102 PolarHBondContact O-N 2.87Å
99	Y	93.7	Very high	91	Very high	18 Å²	18	88.9 Å²	88.9	7%	0.071	40%	0.404	C	S	.	.	H	α-helix	trans	-61.4	-45.9	174.7	174.3	-104	0	0	0	111.4	Y48 V51 L54 F95 I96 A101 W102 N103	Y48-Y99 HydrophobicContact CD1-CD2 4.39Å; V51-Y99 HydrophobicContact CB-CD2 4.27Å; V51-Y99 HydrophobicContact CB-CE2 3.61Å; V51-Y99 HydrophobicContact CG1-CD2 4.43Å; V51-Y99 HydrophobicContact CG1-CE1 4.48Å; V51-Y99 HydrophobicContact CG1-CE2 3.63Å; V51-Y99 HydrophobicContact CG2-CD2 4.32Å; V51-Y99 HydrophobicContact CG2-CE2 4.15Å; L54-Y99 HydrophobicContact CB-CD1 4.35Å; L54-Y99 HydrophobicContact CB-CE1 3.82Å; L54-Y99 HydrophobicContact CD1-CD1 3.61Å; L54-Y99 HydrophobicContact CD1-CE1 3.96Å; L54-Y99 HydrophobicContact CD1-CG 4.29Å; F95-Y99 WeakPolarHBondContact O-CB 3.48Å; F95-Y99 PolarHBondContact O-N 3.01Å; I96-Y99 PolarHBondContact O-N 3.31Å; Y99-A101 PolarHBondContact O-N 3.26Å; Y99-W102 HydrophobicContact CE2-CE3 4.47Å; Y99-W102 PolarHBondContact O-N 3.25Å; Y99-N103 WeakPolarHBondContact O-CB 3.43Å; Y99-N103 PolarHBondContact O-N 3.05Å
100	N	93.5	Very high	90.3	Very high	85 Å²	85	94.1 Å²	94.1	46%	0.455	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-44.5	177.6	-69.2	-9	0	0	0	111.3	I96 W102 N103 E104	I96-N100 WeakPolarHBondContact O-CB 3.38Å; I96-N100 PolarHBondContact O-N 3.3Å; I96-N100 PolarHBondContact O-OD1 3.44Å; N100-W102 VanDerWaalsContact C-N 3.32Å; N100-W102 PolarHBondContact O-N 2.82Å; N100-N103 PolarHBondContact O-N 3.19Å; N100-E104 WeakPolarHBondContact O-CB 3.44Å; N100-E104 PolarHBondContact O-N 3.32Å
101	A	93.5	Very high	88.8	Confident	44 Å²	44	97.1 Å²	97.1	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-62.9	-38.2	176.2	0	0	0	0	0	112.6	K97 W98 Y99 K105	K97-A101 PolarHBondContact O-N 3.19Å; K97-A101 VanDerWaalsContact O-N 3.12Å; W98-A101 PolarHBondContact O-N 3.32Å; Y99-A101 PolarHBondContact O-N 3.26Å; A101-K105 WeakPolarHBondContact O-CG 3.47Å; A101-K105 PolarHBondContact O-N 2.79Å
102	W	91.1	Very high	88.7	Confident	84 Å²	84	98.1 Å²	98.1	32%	0.318	44%	0.436	S	S	.	.	H	α-helix	trans	-67.7	-43	175.3	179.4	84.5	0	0	0	111.8	W98 Y99 N100 K105 R106	W98-W102 VanDerWaalsContact O-CB 3.31Å; W98-W102 WeakPolarHBondContact O-CB 3.31Å; W98-W102 PolarHBondContact O-N 2.87Å; Y99-W102 HydrophobicContact CE2-CE3 4.47Å; Y99-W102 PolarHBondContact O-N 3.25Å; N100-W102 VanDerWaalsContact C-N 3.32Å; N100-W102 PolarHBondContact O-N 2.82Å; W102-K105 PolarHBondContact O-N 3.01Å; W102-R106 WeakPolarHBondContact O-CB 3.41Å; W102-R106 PolarHBondContact O-N 3.39Å
103	N	90	Very high	88.5	Confident	55 Å²	55	103.1 Å²	103.1	29%	0.294	46%	0.458	S	S	.	.	H	α-helix	trans	-66.6	-38.9	-179.9	-164.8	58.5	0	0	0	111.9	Y99 N100 R106 R107	Y99-N103 WeakPolarHBondContact O-CB 3.43Å; Y99-N103 PolarHBondContact O-N 3.05Å; N100-N103 PolarHBondContact O-N 3.19Å; N103-R106 PolarHBondContact O-N 3.29Å; N103-R106 PolarHBondContact OD1-NH2 3.09Å; N103-R107 PolarHBondContact O-N 2.76Å
104	E	91.1	Very high	88.2	Confident	92 Å²	92	103 Å²	103	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-63.5	-46.7	175.9	-175.3	59.3	-165.7	0	0	111.7	N100 R106 R107 V108	N100-E104 WeakPolarHBondContact O-CB 3.44Å; N100-E104 PolarHBondContact O-N 3.32Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 2.66Å; E104-R107 WeakPolarHBondContact O-CB 3.12Å; E104-R107 PolarHBondContact O-N 3.03Å; E104-R107 IonicContact OE1-CZ 3.55Å; E104-R107 IonicContact OE1-NE 3.46Å; E104-R107 IonicContact OE1-NH2 2.61Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-CZ 2.91Å; E104-R107 IonicContact OE2-NE 3.65Å; E104-R107 PolarHBondContact OE2-NE 3.01Å; E104-R107 IonicContact OE2-NH2 3.91Å; E104-R107 PolarHBondContact OE2-NH2 3.27Å; E104-V108 PolarHBondContact O-N 3.14Å
105	K	89.7	Confident	87.8	Confident	146 Å²	146	99.1 Å²	99.1	64%	0.635	45%	0.448	S	S	*	.	H	α-helix	trans	-58.8	-42.1	174.4	-73.9	-177.1	179.2	-169.8	0	112.1	A101 W102 R107 V108 Y109	A101-K105 WeakPolarHBondContact O-CG 3.47Å; A101-K105 PolarHBondContact O-N 2.79Å; W102-K105 PolarHBondContact O-N 3.01Å; K105-R107 VanDerWaalsContact C-N 3.34Å; K105-R107 PolarHBondContact O-N 3.42Å; K105-V108 PolarHBondContact O-N 3.38Å; K105-Y109 WeakPolarHBondContact O-CD2 3.28Å; K105-Y109 PolarHBondContact O-N 3.13Å
106	R	85.9	Confident	87.5	Confident	71 Å²	71	103.7 Å²	103.7	27%	0.268	47%	0.468	S	S	.	.	H	α-helix	trans	-63.1	-40.3	179.5	-177.2	173.9	60.8	136.8	2.2	112.1	W102 N103 E104 V108 Y109 E110	W102-R106 WeakPolarHBondContact O-CB 3.41Å; W102-R106 PolarHBondContact O-N 3.39Å; N103-R106 PolarHBondContact O-N 3.29Å; N103-R106 PolarHBondContact OD1-NH2 3.09Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 2.66Å; R106-V108 VanDerWaalsContact C-N 3.29Å; R106-V108 PolarHBondContact O-N 2.98Å; R106-Y109 PolarHBondContact O-N 2.83Å; R106-Y109 VanDerWaalsContact O-N 3.09Å; R106-E110 WeakPolarHBondContact CD-OE1 3.47Å; R106-E110 HydrophobicContact CG-CG 4.38Å; R106-E110 WeakPolarHBondContact CG-OE1 3.48Å; R106-E110 IonicContact NH1-OE1 3.97Å; R106-E110 PolarHBondContact O-N 3.12Å; R106-E110 VanDerWaalsContact O-N 3.12Å
107	R	85.2	Confident	87	Confident	114 Å²	114	109.1 Å²	109.1	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-58	-42.1	176.2	-173.8	174.3	70	99.3	-2.6	111.8	N103 E104 K105 Y109 E110 E111	N103-R107 PolarHBondContact O-N 2.76Å; E104-R107 WeakPolarHBondContact O-CB 3.12Å; E104-R107 PolarHBondContact O-N 3.03Å; E104-R107 IonicContact OE1-CZ 3.55Å; E104-R107 IonicContact OE1-NE 3.46Å; E104-R107 IonicContact OE1-NH2 2.61Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 IonicContact OE2-CZ 2.91Å; E104-R107 IonicContact OE2-NE 3.65Å; E104-R107 PolarHBondContact OE2-NE 3.01Å; E104-R107 IonicContact OE2-NH2 3.91Å; E104-R107 PolarHBondContact OE2-NH2 3.27Å; K105-R107 VanDerWaalsContact C-N 3.34Å; K105-R107 PolarHBondContact O-N 3.42Å; R107-Y109 PolarHBondContact O-N 3.31Å; R107-E110 PolarHBondContact O-N 3.4Å; R107-E111 HydrophobicContact CG-CG 4.47Å; R107-E111 WeakPolarHBondContact CG-OE1 3.48Å; R107-E111 IonicContact CZ-OE1 2.7Å; R107-E111 IonicContact NH1-OE1 3.83Å; R107-E111 PolarHBondContact NH1-OE1 2.87Å; R107-E111 IonicContact NH1-OE2 3.89Å; R107-E111 PolarHBondContact O-N 3.49Å
108	V	84.8	Confident	86.5	Confident	88 Å²	88	105.6 Å²	105.6	53%	0.533	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-24.5	177	177.1	0	0	0	0	113.5	E104 K105 R106	E104-V108 PolarHBondContact O-N 3.14Å; K105-V108 PolarHBondContact O-N 3.38Å; R106-V108 VanDerWaalsContact C-N 3.29Å; R106-V108 PolarHBondContact O-N 2.98Å
109	Y	79.1	Confident	85.9	Confident	204 Å²	204	101.9 Å²	101.9	80%	0.8	47%	0.47	S	S	*	.	H	α-helix	trans	-91.8	-16.3	176.5	-74.4	-70.4	0	0	0	113.6	K105 R106 R107	K105-Y109 WeakPolarHBondContact O-CD2 3.28Å; K105-Y109 PolarHBondContact O-N 3.13Å; R106-Y109 PolarHBondContact O-N 2.83Å; R106-Y109 VanDerWaalsContact O-N 3.09Å; R107-Y109 PolarHBondContact O-N 3.31Å
110	E	76.5	Confident	85.2	Confident	143 Å²	143	108.9 Å²	108.9	67%	0.668	50%	0.503	S	S	*	.	H	α-helix	trans	-94.6	-21.1	178.2	-71.9	176.6	-174	0	0	112.1	R106 R107	R106-E110 WeakPolarHBondContact CD-OE1 3.47Å; R106-E110 HydrophobicContact CG-CG 4.38Å; R106-E110 WeakPolarHBondContact CG-OE1 3.48Å; R106-E110 IonicContact NH1-OE1 3.97Å; R106-E110 PolarHBondContact O-N 3.12Å; R106-E110 VanDerWaalsContact O-N 3.12Å; R107-E110 PolarHBondContact O-N 3.4Å
111	E	62.5	Low	84.5	Confident	181 Å²	181	111.1 Å²	111.1	85%	0.846	51%	0.508	S	S	*	.			trans	-81.7	0	168.1	-71.2	172.7	-170.6	0	0	111.4	R107	R107-E111 HydrophobicContact CG-CG 4.47Å; R107-E111 WeakPolarHBondContact CG-OE1 3.48Å; R107-E111 IonicContact CZ-OE1 2.7Å; R107-E111 IonicContact NH1-OE1 3.83Å; R107-E111 PolarHBondContact NH1-OE1 2.87Å; R107-E111 IonicContact NH1-OE2 3.89Å; R107-E111 PolarHBondContact O-N 3.49Å

Retrieved 111 of 111 residues in 495.3 ms (Link to these results)

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