A0A087YP01_POEFO Loading...

Chemokine interleukin-8-like domain-containing protein

Ligand for cxcr3.2. Chemotactic for macrophages.

AlphaFold DB , UniProt , Accession A0A087YP01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 111 aa.

						>A0A087YP01_POEFO|A0A087YP01
MKKISIITLSVLIFLSFLATSKGMSLRSLGVELHCRCIQTESRPIGRHIEKVELIPANSHCEETEIIATLKKDGQEVCLDPEAPWVKKVIQRIMAKKTTCSNWSDCGKVAR
					

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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	55.9	Low	73.1	Confident	197 Å²	197	116.8 Å²	116.8	97%	0.97	61%	0.609	S	S	*	*				0	-60.4	0	-55.6	-161.2	-67.6	0	0	112.5	K3 I4 S5	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.23Å; M1-I4 PolarHBondContact O-N 3.12Å; M1-I4 VanDerWaalsContact O-N 3.16Å; M1-S5 PolarHBondContact O-N 3.33Å
2	K	59.5	Low	73.8	Confident	181 Å²	181	116.1 Å²	116.1	79%	0.787	61%	0.605	S	S	*	*	H	α-helix	trans	-56.9	-37	-179.9	-72.2	164.4	175.8	174	0	115.2	I4 S5 I6	K2-I4 PolarHBondContact O-N 2.04Å; K2-S5 PolarHBondContact O-N 3.48Å; K2-I6 WeakPolarHBondContact O-CD1 2.97Å; K2-I6 VanDerWaalsContact O-CG1 3.26Å; K2-I6 WeakPolarHBondContact O-CG1 3.34Å; K2-I6 PolarHBondContact O-N 3.09Å; K2-I6 VanDerWaalsContact O-N 3.13Å
3	K	61.6	Low	74.3	Confident	172 Å²	172	116.3 Å²	116.3	75%	0.748	61%	0.606	S	S	*	*	H	α-helix	trans	-65.5	-36	178.5	-62.2	-173.1	178.2	-175.1	0	113.2	M1 I6 I7	M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.23Å; K3-I6 PolarHBondContact O-N 3.22Å; K3-I7 WeakPolarHBondContact O-CD1 3.45Å; K3-I7 VanDerWaalsContact O-CG1 3.26Å; K3-I7 WeakPolarHBondContact O-CG1 3.49Å; K3-I7 PolarHBondContact O-N 3.18Å; K3-I7 VanDerWaalsContact O-N 3.13Å
4	I	67.8	Low	74.4	Confident	115 Å²	115	118.1 Å²	118.1	59%	0.59	61%	0.607	S	S	*	*	H	α-helix	trans	-70.8	-40.9	179.8	-67.6	158.3	0	0	0	109.6	M1 K2 I6 I7 T8	M1-I4 PolarHBondContact O-N 3.12Å; M1-I4 VanDerWaalsContact O-N 3.16Å; K2-I4 PolarHBondContact O-N 2.04Å; I4-I6 VanDerWaalsContact C-N 3.32Å; I4-I6 PolarHBondContact O-N 3.31Å; I4-I7 PolarHBondContact O-N 3.37Å; I4-T8 WeakPolarHBondContact O-CG2 3.45Å; I4-T8 PolarHBondContact O-N 2.87Å; I4-T8 PolarHBondContact O-OG1 3.05Å
5	S	70.6	Confident	74.3	Confident	66 Å²	66	117.1 Å²	117.1	46%	0.462	60%	0.602	S	S	.	*	H	α-helix	trans	-63.5	-34.7	174.5	-55	0	0	0	0	113.3	M1 K2 T8 L9	M1-S5 PolarHBondContact O-N 3.33Å; K2-S5 PolarHBondContact O-N 3.48Å; S5-T8 VanDerWaalsContact C-OG1 3.32Å; S5-T8 VanDerWaalsContact CA-OG1 3.26Å; S5-T8 WeakPolarHBondContact CA-OG1 3.34Å; S5-T8 PolarHBondContact O-OG1 3.49Å; S5-L9 WeakPolarHBondContact O-CB 3.26Å; S5-L9 WeakPolarHBondContact O-CD1 3.19Å; S5-L9 VanDerWaalsContact O-CG 3.32Å; S5-L9 WeakPolarHBondContact O-CG 3.24Å; S5-L9 PolarHBondContact O-N 3.19Å
6	I	78.7	Confident	74	Confident	112 Å²	112	114.2 Å²	114.2	57%	0.574	60%	0.595	S	S	*	*	H	α-helix	trans	-68.1	-43.3	175.8	-67.8	163.1	0	0	0	110.6	K2 K3 I4 L9 S10	K2-I6 WeakPolarHBondContact O-CD1 2.97Å; K2-I6 VanDerWaalsContact O-CG1 3.26Å; K2-I6 WeakPolarHBondContact O-CG1 3.34Å; K2-I6 PolarHBondContact O-N 3.09Å; K2-I6 VanDerWaalsContact O-N 3.13Å; K3-I6 PolarHBondContact O-N 3.22Å; I4-I6 VanDerWaalsContact C-N 3.32Å; I4-I6 PolarHBondContact O-N 3.31Å; I6-L9 PolarHBondContact O-N 3.1Å; I6-S10 WeakPolarHBondContact O-CB 3.5Å; I6-S10 PolarHBondContact O-N 3.31Å
7	I	81.6	Confident	73.6	Confident	109 Å²	109	117.1 Å²	117.1	56%	0.559	60%	0.603	S	S	*	*	H	α-helix	trans	-64	-43.7	177.9	-64.2	161.9	0	0	0	110.1	K3 I4 L9 S10 V11	K3-I7 WeakPolarHBondContact O-CD1 3.45Å; K3-I7 VanDerWaalsContact O-CG1 3.26Å; K3-I7 WeakPolarHBondContact O-CG1 3.49Å; K3-I7 PolarHBondContact O-N 3.18Å; K3-I7 VanDerWaalsContact O-N 3.13Å; I4-I7 PolarHBondContact O-N 3.37Å; I7-L9 PolarHBondContact O-N 3.33Å; I7-S10 PolarHBondContact O-N 2.8Å; I7-V11 HydrophobicContact CG2-CG2 4.39Å; I7-V11 VanDerWaalsContact O-CG2 3.31Å; I7-V11 WeakPolarHBondContact O-CG2 3.48Å; I7-V11 PolarHBondContact O-N 2.74Å
8	T	80.5	Confident	72.9	Confident	73 Å²	73	116.2 Å²	116.2	45%	0.448	60%	0.598	S	S	.	*	H	α-helix	trans	-63.9	-40.1	178.8	52.6	0	0	0	0	112.2	I4 S5 L12	I4-T8 WeakPolarHBondContact O-CG2 3.45Å; I4-T8 PolarHBondContact O-N 2.87Å; I4-T8 PolarHBondContact O-OG1 3.05Å; S5-T8 VanDerWaalsContact C-OG1 3.32Å; S5-T8 VanDerWaalsContact CA-OG1 3.26Å; S5-T8 WeakPolarHBondContact CA-OG1 3.34Å; S5-T8 PolarHBondContact O-OG1 3.49Å; T8-L12 WeakPolarHBondContact O-CB 3.48Å; T8-L12 WeakPolarHBondContact O-CD1 3.18Å; T8-L12 WeakPolarHBondContact O-CG 3.37Å; T8-L12 PolarHBondContact O-N 3.44Å; T8-L12 VanDerWaalsContact O-N 3.09Å
9	L	82.2	Confident	72.2	Confident	105 Å²	105	114.5 Å²	114.5	55%	0.55	60%	0.603	S	S	.	*	H	α-helix	trans	-64.2	-43.9	175.5	-79.1	164.8	0	0	0	111.5	S5 I6 I7 V11 L12 I13	S5-L9 WeakPolarHBondContact O-CB 3.26Å; S5-L9 WeakPolarHBondContact O-CD1 3.19Å; S5-L9 VanDerWaalsContact O-CG 3.32Å; S5-L9 WeakPolarHBondContact O-CG 3.24Å; S5-L9 PolarHBondContact O-N 3.19Å; I6-L9 PolarHBondContact O-N 3.1Å; I7-L9 PolarHBondContact O-N 3.33Å; L9-V11 PolarHBondContact O-N 2.98Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-I13 WeakPolarHBondContact O-CD1 3.34Å; L9-I13 VanDerWaalsContact O-CG1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.31Å; L9-I13 PolarHBondContact O-N 2.96Å
10	S	81.3	Confident	71.4	Confident	76 Å²	76	113.9 Å²	113.9	53%	0.531	61%	0.605	S	S	.	*	H	α-helix	trans	-61.8	-44	178.6	176.5	0	0	0	0	112.3	I6 I7 I13 F14	I6-S10 WeakPolarHBondContact O-CB 3.5Å; I6-S10 PolarHBondContact O-N 3.31Å; I7-S10 PolarHBondContact O-N 2.8Å; S10-I13 PolarHBondContact O-N 3.43Å; S10-F14 PolarHBondContact O-N 2.95Å; S10-F14 VanDerWaalsContact O-N 3.1Å
11	V	84.3	Confident	70.8	Confident	79 Å²	79	112.5 Å²	112.5	48%	0.479	60%	0.604	S	S	.	*	H	α-helix	trans	-66.1	-41.1	178.8	173.4	0	0	0	0	111.5	I7 L9 I13 F14 L15	I7-V11 HydrophobicContact CG2-CG2 4.39Å; I7-V11 VanDerWaalsContact O-CG2 3.31Å; I7-V11 WeakPolarHBondContact O-CG2 3.48Å; I7-V11 PolarHBondContact O-N 2.74Å; L9-V11 PolarHBondContact O-N 2.98Å; V11-I13 PolarHBondContact O-N 3Å; V11-F14 PolarHBondContact O-N 2.89Å; V11-L15 HydrophobicContact CG1-CD1 3.91Å; V11-L15 WeakPolarHBondContact O-CG 3.43Å; V11-L15 PolarHBondContact O-N 3.09Å
12	L	81.8	Confident	70.4	Confident	108 Å²	108	111 Å²	111	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-63.1	-40.2	177.1	-79	164.6	0	0	0	112.6	T8 L9 S16	T8-L12 WeakPolarHBondContact O-CB 3.48Å; T8-L12 WeakPolarHBondContact O-CD1 3.18Å; T8-L12 WeakPolarHBondContact O-CG 3.37Å; T8-L12 PolarHBondContact O-N 3.44Å; T8-L12 VanDerWaalsContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.39Å; L12-S16 PolarHBondContact O-N 3.1Å; L12-S16 VanDerWaalsContact O-N 3.15Å; L12-S16 PolarHBondContact O-OG 2.87Å
13	I	80.1	Confident	70	Confident	119 Å²	119	106.2 Å²	106.2	61%	0.61	60%	0.595	S	S	*	*	H	α-helix	trans	-64.5	-43.8	176.3	-68.2	163.4	0	0	0	110.6	L9 S10 V11 S16 F17	L9-I13 WeakPolarHBondContact O-CD1 3.34Å; L9-I13 VanDerWaalsContact O-CG1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.31Å; L9-I13 PolarHBondContact O-N 2.96Å; S10-I13 PolarHBondContact O-N 3.43Å; V11-I13 PolarHBondContact O-N 3Å; I13-S16 PolarHBondContact O-N 3.27Å; I13-F17 PolarHBondContact O-N 3.29Å; I13-F17 VanDerWaalsContact O-N 3.12Å
14	F	76.3	Confident	69.3	Low	141 Å²	141	106.3 Å²	106.3	62%	0.618	60%	0.6	S	S	*	*	H	α-helix	trans	-66	-41.9	-179.2	-157.7	-95.6	0	0	0	112.7	S10 V11 S16 F17 L18	S10-F14 PolarHBondContact O-N 2.95Å; S10-F14 VanDerWaalsContact O-N 3.1Å; V11-F14 PolarHBondContact O-N 2.89Å; F14-S16 VanDerWaalsContact C-N 3.32Å; F14-S16 PolarHBondContact O-N 3.36Å; F14-F17 WeakPolarHBondContact O-CB 3.45Å; F14-F17 PolarHBondContact O-N 2.84Å; F14-L18 HydrophobicContact CD1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CG 4.45Å; F14-L18 PolarHBondContact O-N 3.37Å
15	L	71.9	Confident	68.3	Low	103 Å²	103	106 Å²	106	54%	0.539	61%	0.608	S	S	.	*	H	α-helix	trans	-63.5	-37.4	175.8	-77.3	164.4	0	0	0	112.3	V11 F17 L18 A19	V11-L15 HydrophobicContact CG1-CD1 3.91Å; V11-L15 WeakPolarHBondContact O-CG 3.43Å; V11-L15 PolarHBondContact O-N 3.09Å; L15-F17 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 3.06Å; L15-A19 PolarHBondContact O-N 3.12Å
16	S	70.3	Confident	67.1	Low	71 Å²	71	109.2 Å²	109.2	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-65.6	-38.3	176.1	-56.8	0	0	0	0	111.5	L12 I13 F14 A19 T20	L12-S16 PolarHBondContact O-N 3.1Å; L12-S16 VanDerWaalsContact O-N 3.15Å; L12-S16 PolarHBondContact O-OG 2.87Å; I13-S16 PolarHBondContact O-N 3.27Å; F14-S16 VanDerWaalsContact C-N 3.32Å; F14-S16 PolarHBondContact O-N 3.36Å; S16-A19 PolarHBondContact O-N 2.83Å; S16-T20 PolarHBondContact O-N 2.98Å; S16-T20 PolarHBondContact O-OG1 2.95Å
17	F	67.1	Low	65.8	Low	164 Å²	164	115.5 Å²	115.5	72%	0.719	64%	0.636	S	S	*	*	H	α-helix	trans	-62.5	-43.1	176.2	-159.3	-97.3	0	0	0	111.9	I13 F14 L15 T20 S21	I13-F17 PolarHBondContact O-N 3.29Å; I13-F17 VanDerWaalsContact O-N 3.12Å; F14-F17 WeakPolarHBondContact O-CB 3.45Å; F14-F17 PolarHBondContact O-N 2.84Å; L15-F17 VanDerWaalsContact C-N 3.34Å; F17-T20 PolarHBondContact O-N 3.41Å; F17-S21 PolarHBondContact O-N 3.03Å
18	L	61.2	Low	64.2	Low	100 Å²	100	112.9 Å²	112.9	52%	0.524	63%	0.627	S	S	.	*	H	α-helix	trans	-68	-32.2	176.3	-68	170.5	0	0	0	113.3	F14 L15 T20 S21	F14-L18 HydrophobicContact CD1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CD1 3.97Å; F14-L18 HydrophobicContact CE1-CG 4.45Å; F14-L18 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.06Å; L18-T20 VanDerWaalsContact C-N 3.31Å; L18-S21 PolarHBondContact O-OG 3.02Å
19	A	59.1	Low	62.8	Low	84 Å²	84	117.8 Å²	117.8	69%	0.694	65%	0.65	S	S	*	*	H	α-helix	trans	-74.5	-24.2	174.2	0	0	0	0	0	112.7	L15 S16	L15-A19 PolarHBondContact O-N 3.12Å; S16-A19 PolarHBondContact O-N 2.83Å
20	T	55.8	Low	61	Low	103 Å²	103	115 Å²	115	63%	0.632	65%	0.646	S	S	*	*	H	α-helix	trans	-90.6	-7	179.9	-37.6	0	0	0	0	112.7	S16 F17 L18 K22	S16-T20 PolarHBondContact O-N 2.98Å; S16-T20 PolarHBondContact O-OG1 2.95Å; F17-T20 PolarHBondContact O-N 3.41Å; L18-T20 VanDerWaalsContact C-N 3.31Å; T20-K22 PolarHBondContact O-N 2.84Å
21	S	58.3	Low	59.5	Low	84 Å²	84	118.9 Å²	118.9	59%	0.587	67%	0.666	S	S	*	*			trans	-69.7	65.3	158.8	68.6	0	0	0	0	109.3	F17 L18 G23	F17-S21 PolarHBondContact O-N 3.03Å; L18-S21 PolarHBondContact O-OG 3.02Å; S21-G23 PolarHBondContact O-N 2.86Å; S21-G23 VanDerWaalsContact O-N 3.14Å
22	K	48.3	Very low	57.7	Low	165 Å²	165	122 Å²	122	72%	0.717	68%	0.676	S	S	*	*			trans	-47.3	121.8	146.9	-69	178.2	178.1	167.4	0	104.2	T20 M24	T20-K22 PolarHBondContact O-N 2.84Å; K22-M24 PolarHBondContact O-N 2.8Å
23	G	51.5	Low	56.5	Low	82 Å²	82	124 Å²	124	85%	0.845	69%	0.686	S	S	*	*			trans	-58.2	83.5	173.1	0	0	0	0	0	108.8	S21 S25	S21-G23 PolarHBondContact O-N 2.86Å; S21-G23 VanDerWaalsContact O-N 3.14Å; G23-S25 PolarHBondContact O-N 2.84Å
24	M	46.2	Very low	55.7	Low	173 Å²	173	123.3 Å²	123.3	85%	0.852	68%	0.68	S	S	*	*			trans	-73.7	103.8	163.7	-73.5	168.5	90.3	0	0	102.7	K22 L26	K22-M24 PolarHBondContact O-N 2.8Å; M24-L26 PolarHBondContact O-N 3.49Å
25	S	47.2	Very low	55.6	Low	110 Å²	110	118.2 Å²	118.2	77%	0.769	66%	0.662	S	S	*	*			trans	-36.2	127.8	166.3	-76.7	0	0	0	0	108.2	G23 R27	G23-S25 PolarHBondContact O-N 2.84Å; S25-R27 VanDerWaalsContact C-N 3.31Å; S25-R27 PolarHBondContact O-N 3.3Å
26	L	45.9	Very low	56.1	Low	133 Å²	133	119.5 Å²	119.5	70%	0.696	66%	0.659	S	S	*	*			trans	-44.8	99.7	173.6	-126.8	98.1	0	0	0	107.7	M24 S28	M24-L26 PolarHBondContact O-N 3.49Å; L26-S28 PolarHBondContact O-N 2.9Å
27	R	50	Low	56.7	Low	243 Å²	243	117 Å²	117	92%	0.917	64%	0.642	S	S	*	*			trans	-74.6	77.7	161.1	-145.4	174.6	-167.4	156.1	2.8	103	S25 L29	S25-R27 VanDerWaalsContact C-N 3.31Å; S25-R27 PolarHBondContact O-N 3.3Å; R27-L29 PolarHBondContact O-N 2.65Å; R27-L29 VanDerWaalsContact O-N 3.16Å
28	S	48.8	Very low	57.3	Low	55 Å²	55	114.5 Å²	114.5	39%	0.385	64%	0.635	S	S	.	*			trans	-60.4	120.3	-169.9	-163.3	0	0	0	0	108.2	L26 G30	L26-S28 PolarHBondContact O-N 2.9Å; S28-G30 PolarHBondContact O-N 3.27Å
29	L	51.2	Low	58.2	Low	175 Å²	175	115.7 Å²	115.7	92%	0.916	64%	0.638	S	S	*	*			trans	-59.4	116.1	166.5	-69.7	144.7	0	0	0	107.8	R27	R27-L29 PolarHBondContact O-N 2.65Å; R27-L29 VanDerWaalsContact O-N 3.16Å
30	G	44.5	Very low	59.5	Low	46 Å²	46	115 Å²	115	47%	0.474	63%	0.625	S	S	.	*			trans	-177.7	96	176.4	0	0	0	0	0	108.9	S28 H34	S28-G30 PolarHBondContact O-N 3.27Å; G30-H34 PolarHBondContact O-CD2 2.78Å; G30-H34 VanDerWaalsContact O-CD2 3.26Å
31	V	48.9	Very low	60.9	Low	158 Å²	158	113.9 Å²	113.9	96%	0.958	61%	0.613	S	S	*	*			trans	-93.8	91.1	168.5	175.7	0	0	0	0	106
32	E	46.6	Very low	62.3	Low	145 Å²	145	112.6 Å²	112.6	68%	0.678	60%	0.604	S	S	*	*	S	Bend	trans	-141	74.2	171.5	161.6	165.8	-167.1	0	0	109.4	H34	E32-H34 VanDerWaalsContact C-CD2 3.49Å; E32-H34 WeakPolarHBondContact CA-NE2 3.48Å; E32-H34 WeakPolarHBondContact CB-NE2 3.37Å; E32-H34 PolarHBondContact N-CD2 2.81Å; E32-H34 PolarHBondContact N-NE2 2.77Å; E32-H34 PolarHBondContact O-CD2 2.8Å; E32-H34 PolarHBondContact O-CE1 2.87Å; E32-H34 PolarHBondContact O-N 3.27Å; E32-H34 PolarHBondContact O-ND1 3.49Å; E32-H34 PolarHBondContact O-NE2 2.8Å
33	L	56.4	Low	64.2	Low	150 Å²	150	113.5 Å²	113.5	79%	0.785	60%	0.603	S	S	*	*	S	Bend	trans	45.6	29.4	174.6	-75.5	104.1	0	0	0	116.3
34	H	63.9	Low	65.8	Low	105 Å²	105	114.6 Å²	114.6	49%	0.486	60%	0.595	S	S	.	*			trans	-79.7	142.1	-161.9	-59.6	-66.8	0	0	0	114.1	G30 E32	G30-H34 PolarHBondContact O-CD2 2.78Å; G30-H34 VanDerWaalsContact O-CD2 3.26Å; E32-H34 VanDerWaalsContact C-CD2 3.49Å; E32-H34 WeakPolarHBondContact CA-NE2 3.48Å; E32-H34 WeakPolarHBondContact CB-NE2 3.37Å; E32-H34 PolarHBondContact N-CD2 2.81Å; E32-H34 PolarHBondContact N-NE2 2.77Å; E32-H34 PolarHBondContact O-CD2 2.8Å; E32-H34 PolarHBondContact O-CE1 2.87Å; E32-H34 PolarHBondContact O-N 3.27Å; E32-H34 PolarHBondContact O-ND1 3.49Å; E32-H34 PolarHBondContact O-NE2 2.8Å
35	C	74.8	Confident	67.7	Low	34 Å²	34	108 Å²	108	23%	0.23	56%	0.563	C	S	.	*			trans	-32.1	153.1	155.2	-59.5	0	0	0	0	113.4	C37 C61 E65	C35-C37 PolarHBondContact O-N 3.21Å; C35-C37 VanDerWaalsContact O-N 3.08Å; C35-C61 HydrophobicContact CB-CB 3.96Å; C35-C61 WeakPolarHBondContact CB-SG 3.47Å; C35-C61 WeakPolarHBondContact SG-CB 3.33Å; C35-C61 CovalentContact SG-SG 2.03Å; C35-C61 PolarHBondContact SG-SG 2.73Å; C35-E65 HydrophobicContact CB-CG 4.47Å; C35-E65 VanDerWaalsContact CB-OE1 3.26Å; C35-E65 WeakPolarHBondContact CB-OE1 3.4Å
36	R	82.1	Confident	69.4	Low	129 Å²	129	104.3 Å²	104.3	49%	0.487	54%	0.542	S	S	.	.	S	Bend	trans	-59.8	-24.8	-179.2	-173.3	169.2	171.5	-154	-4.2	112.1	E53 E65 I67 E76	R36-E53 IonicContact NH1-OE2 3.87Å; R36-E65 WeakPolarHBondContact CA-OE1 3.47Å; R36-E65 WeakPolarHBondContact CB-OE2 3.29Å; R36-E65 VanDerWaalsContact N-CD 3.34Å; R36-E65 PolarHBondContact N-OE1 3.34Å; R36-E65 PolarHBondContact N-OE2 2.86Å; R36-I67 HydrophobicContact CB-CD1 4.25Å; R36-I67 HydrophobicContact CG-CD1 3.76Å; R36-E76 IonicContact CZ-OE1 2.77Å; R36-E76 IonicContact NH2-OE1 2.96Å; R36-E76 PolarHBondContact NH2-OE1 3.33Å; R36-E76 IonicContact NH2-OE2 3.51Å; R36-E76 PolarHBondContact NH2-OE2 3.45Å
37	C	83.8	Confident	71.2	Confident	20 Å²	20	107.6 Å²	107.6	14%	0.135	55%	0.545	C	S	.	.			trans	-105.1	119	179	-66.1	0	0	0	0	111.3	C35 E65 C78	C35-C37 PolarHBondContact O-N 3.21Å; C35-C37 VanDerWaalsContact O-N 3.08Å; C37-E65 WeakPolarHBondContact CA-OE1 3.35Å; C37-E65 WeakPolarHBondContact CB-OE1 3.46Å; C37-E65 PolarHBondContact N-OE1 2.76Å; C37-C78 WeakPolarHBondContact CA-SG 3.26Å; C37-C78 HydrophobicContact CB-CB 3.58Å; C37-C78 WeakPolarHBondContact CB-SG 3.48Å; C37-C78 WeakPolarHBondContact SG-CB 3.19Å; C37-C78 CovalentContact SG-SG 2.03Å; C37-C78 PolarHBondContact SG-SG 3.24Å
38	I	79.1	Confident	73	Confident	110 Å²	110	98.8 Å²	98.8	56%	0.564	51%	0.514	S	S	*	.	S	Bend	trans	-94.6	-32	174.1	-56.3	171.1	0	0	0	110.8
39	Q	79.6	Confident	74.9	Confident	126 Å²	126	97 Å²	97	59%	0.589	50%	0.5	S	S	*	.	S	Bend	trans	-135.2	143	178.2	-74.6	177.7	51.9	0	0	109.2	C78	Q39-C78 VanDerWaalsContact O-CB 3.27Å; Q39-C78 WeakPolarHBondContact O-CB 3.42Å
40	T	86.3	Confident	76.6	Confident	70 Å²	70	95 Å²	95	43%	0.429	49%	0.486	S	S	.	.			trans	-110	143.9	178.2	54.4	0	0	0	0	110.5
41	E	85.8	Confident	78.6	Confident	79 Å²	79	98.3 Å²	98.3	37%	0.369	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-100.8	109.3	175	-76.7	-69.3	164.5	0	0	109.7	R43 V77 C78 D80	E41-R43 VanDerWaalsContact C-N 3.33Å; E41-V77 HydrophobicContact CB-CG1 3.6Å; E41-V77 HydrophobicContact CG-CG1 3.48Å; E41-V77 VanDerWaalsContact CG-CG1 3.48Å; E41-C78 PolarHBondContact N-O 3.03Å; E41-D80 PolarHBondContact O-N 2.86Å
42	S	87.7	Confident	80.5	Confident	57 Å²	57	91.6 Å²	91.6	40%	0.399	45%	0.447	S	S	.	.			trans	-86.7	-4.9	174.7	-37.4	0	0	0	0	112.4	D80 W85	S42-D80 WeakPolarHBondContact CB-OD2 3.04Å; S42-D80 VanDerWaalsContact OG-CB 3.29Å; S42-D80 WeakPolarHBondContact OG-CB 3.17Å; S42-D80 PolarHBondContact OG-OD2 3.19Å; S42-W85 PolarHBondContact O-NE1 3.04Å
43	R	87.9	Confident	82.5	Confident	184 Å²	184	87.4 Å²	87.4	69%	0.694	43%	0.427	S	S	*	.	S	Bend	trans	-68.7	140.5	-178.6	-65	-178.1	-174.9	-166.5	3.1	111.3	E41 I45 W85	E41-R43 VanDerWaalsContact C-N 3.33Å; R43-I45 HydrophobicContact CB-CG2 4.46Å; R43-I45 PolarHBondContact O-N 2.66Å; R43-W85 WeakPolarHBondContact O-CZ2 3.48Å
44	P	85.3	Confident	84	Confident	105 Å²	105	83.7 Å²	83.7	68%	0.682	41%	0.408	S	S	*	.			trans	-72.7	87.9	-177.1	29.4	-34.8	0	0	0	111.9	W85	P44-W85 HydrophobicContact CB-CG 4.49Å
45	I	86.1	Confident	85.1	Confident	35 Å²	35	80.6 Å²	80.6	18%	0.179	39%	0.394	C	S	.	.			trans	-104.6	6.5	178.1	63.1	-178.3	0	0	0	113.4	R43 R47 H48 L70 V77 L79 W85	R43-I45 HydrophobicContact CB-CG2 4.46Å; R43-I45 PolarHBondContact O-N 2.66Å; I45-R47 PolarHBondContact O-N 2.77Å; I45-H48 PolarHBondContact O-N 2.83Å; I45-L70 HydrophobicContact CD1-CD2 4.08Å; I45-V77 HydrophobicContact CD1-CB 4.38Å; I45-V77 HydrophobicContact CD1-CG1 3.95Å; I45-L79 HydrophobicContact CD1-CD2 4.13Å; I45-L79 HydrophobicContact CG1-CD2 4.38Å; I45-W85 HydrophobicContact CG1-CH2 3.85Å; I45-W85 HydrophobicContact CG1-CZ2 4.35Å
46	G	81.8	Confident	85.6	Confident	31 Å²	31	83.3 Å²	83.3	32%	0.32	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-50	-29.9	-173.1	0	0	0	0	0	116.8	H48 I49	G46-H48 VanDerWaalsContact C-N 3.27Å; G46-H48 PolarHBondContact O-N 2.83Å; G46-I49 PolarHBondContact O-N 2.76Å
47	R	84.8	Confident	85.7	Confident	203 Å²	203	79.6 Å²	79.6	77%	0.766	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-67.5	-25.1	176.5	63.1	-178.3	172.5	178.8	0.2	113.9	I45	I45-R47 PolarHBondContact O-N 2.77Å
48	H	87.8	Confident	85.7	Confident	58 Å²	58	82 Å²	82	27%	0.269	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-97.8	0.3	-177.5	-51.1	116.3	0	0	0	112.8	I45 G46 L70 K71	I45-H48 PolarHBondContact O-N 2.83Å; G46-H48 VanDerWaalsContact C-N 3.27Å; G46-H48 PolarHBondContact O-N 2.83Å; H48-L70 HydrophobicContact CB-CD2 4.2Å; H48-L70 CarbonylContact O-C 3.59Å; H48-L70 WeakPolarHBondContact O-CA 3.3Å; H48-K71 PolarHBondContact O-N 2.03Å
49	I	88.1	Confident	85.9	Confident	18 Å²	18	82.1 Å²	82.1	9%	0.092	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.4	-178.6	-62.4	-179.1	0	0	0	110	G46 K51 V52 A68 L70 K71 L79 W85	G46-I49 PolarHBondContact O-N 2.76Å; I49-K51 WeakPolarHBondContact CG2-O 3.49Å; I49-V52 HydrophobicContact CG2-CG2 3.5Å; I49-V52 VanDerWaalsContact CG2-CG2 3.5Å; I49-A68 HydrophobicContact CD1-CB 3.86Å; I49-A68 HydrophobicContact CG1-CB 4.1Å; I49-A68 HydrophobicContact CG2-CB 4.01Å; I49-L70 HydrophobicContact CG1-CD2 4.29Å; I49-K71 WeakPolarHBondContact O-CE 2.96Å; I49-L79 HydrophobicContact CD1-CD1 3.89Å; I49-W85 HydrophobicContact CD1-CH2 4.12Å; I49-W85 HydrophobicContact CD1-CZ3 3.88Å
50	E	87.8	Confident	85.7	Confident	133 Å²	133	82.6 Å²	82.6	62%	0.621	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	-52.2	173.7	-165.7	171.6	177.9	0	0	111.7	T69 K71	E50-T69 WeakPolarHBondContact CB-O 3.45Å; E50-T69 PolarHBondContact N-O 3.08Å; E50-K71 HydrophobicContact CB-CG 3.53Å; E50-K71 HydrophobicContact CG-CG 4.04Å
51	K	86.4	Confident	85.4	Confident	114 Å²	114	79.6 Å²	79.6	50%	0.496	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.5	-174.4	-170.3	-173.2	-178.2	-164.3	0	109.2	I49 E53 A68 T69	I49-K51 WeakPolarHBondContact CG2-O 3.49Å; K51-E53 HydrophobicContact CD-CG 4.5Å; K51-E53 VanDerWaalsContact CE-OE1 3.31Å; K51-E53 WeakPolarHBondContact CE-OE1 3.18Å; K51-E53 IonicContact NZ-OE1 2.65Å; K51-E53 PolarHBondContact NZ-OE1 3.14Å; K51-A68 CarbonylContact O-C 3.55Å; K51-A68 VanDerWaalsContact O-CA 3.3Å; K51-A68 WeakPolarHBondContact O-CA 3.39Å; K51-T69 PolarHBondContact N-O 3Å; K51-T69 PolarHBondContact O-N 2.96Å
52	V	88.6	Confident	85.3	Confident	18 Å²	18	84.8 Å²	84.8	11%	0.109	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.2	170.3	-175.8	0	0	0	0	108.8	I49 L54 I66 I67 A68 V89 I93	I49-V52 HydrophobicContact CG2-CG2 3.5Å; I49-V52 VanDerWaalsContact CG2-CG2 3.5Å; V52-L54 HydrophobicContact CG1-CD1 4.12Å; V52-I66 HydrophobicContact CG1-CG2 3.56Å; V52-I67 CarbonylContact C-O 3.55Å; V52-I67 WeakPolarHBondContact CA-O 3.45Å; V52-A68 HydrophobicContact CG2-CB 4.33Å; V52-V89 HydrophobicContact CG2-CG1 4.07Å; V52-I93 HydrophobicContact CB-CD1 3.51Å; V52-I93 HydrophobicContact CG1-CD1 4.3Å; V52-I93 HydrophobicContact CG2-CD1 3.43Å; V52-I93 VanDerWaalsContact CG2-CD1 3.43Å
53	E	88.6	Confident	84.9	Confident	56 Å²	56	88.9 Å²	88.9	26%	0.262	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.6	173.3	-61.1	-174.9	170.5	0	0	108.2	R36 K51 I66 I67	R36-E53 IonicContact NH1-OE2 3.87Å; K51-E53 HydrophobicContact CD-CG 4.5Å; K51-E53 VanDerWaalsContact CE-OE1 3.31Å; K51-E53 WeakPolarHBondContact CE-OE1 3.18Å; K51-E53 IonicContact NZ-OE1 2.65Å; K51-E53 PolarHBondContact NZ-OE1 3.14Å; E53-I66 WeakPolarHBondContact O-CA 3.43Å; E53-I67 PolarHBondContact N-O 2.67Å; E53-I67 PolarHBondContact O-N 2.85Å
54	L	87.6	Confident	84.7	Confident	73 Å²	73	83.7 Å²	83.7	38%	0.382	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.4	173.1	-72.9	88.2	0	0	0	107.3	V52 I66 I90	V52-L54 HydrophobicContact CG1-CD1 4.12Å; L54-I66 HydrophobicContact CG-CG1 4.5Å; L54-I90 HydrophobicContact CD2-CD1 4.24Å; L54-I90 HydrophobicContact CD2-CG1 4.22Å; L54-I90 HydrophobicContact CD2-CG2 3.86Å
55	I	86.4	Confident	84.9	Confident	40 Å²	40	79.4 Å²	79.4	21%	0.205	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.1	178.6	-57.3	176.4	0	0	0	106.5	T64 E65 I67	I55-T64 CarbonylContact O-C 3.57Å; I55-T64 WeakPolarHBondContact O-CA 3.45Å; I55-T64 WeakPolarHBondContact O-CG2 3.42Å; I55-E65 HydrophobicContact CB-CB 4.19Å; I55-E65 PolarHBondContact N-O 3.39Å; I55-E65 PolarHBondContact O-N 3.03Å; I55-I67 HydrophobicContact CD1-CD1 3.64Å; I55-I67 HydrophobicContact CD1-CG1 4.38Å
56	P	85.1	Confident	85	Confident	91 Å²	91	78 Å²	78	59%	0.591	40%	0.403	S	S	*	.			trans	-67.7	159.9	177.6	30.6	-34.8	0	0	0	110.8
57	A	86	Confident	85.5	Confident	50 Å²	50	76.7 Å²	76.7	41%	0.413	39%	0.389	S	S	.	.			trans	-52.3	140.1	171	0	0	0	0	0	111.4	C61 E62	A57-C61 CarbonylContact C-O 3.54Å; A57-C61 WeakPolarHBondContact CA-O 3.27Å; A57-E62 WeakPolarHBondContact CB-O 3Å
58	N	82.9	Confident	85.8	Confident	71 Å²	71	67 Å²	67	38%	0.38	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-135.9	176.7	-179.9	65.5	62.3	0	0	0	110.7	H60 C61	N58-H60 PolarHBondContact O-N 3.17Å; N58-H60 VanDerWaalsContact OD1-CA 3.28Å; N58-H60 WeakPolarHBondContact OD1-CA 3.31Å; N58-H60 VanDerWaalsContact OD1-CB 3.28Å; N58-H60 WeakPolarHBondContact OD1-CB 3.07Å; N58-H60 PolarHBondContact OD1-N 3.31Å; N58-C61 PolarHBondContact N-O 2.63Å; N58-C61 CarbonylContact O-C 3.29Å; N58-C61 VanDerWaalsContact O-C 3.29Å; N58-C61 PolarHBondContact O-N 3.18Å; N58-C61 PolarHBondContact OD1-N 2.74Å
59	S	82.4	Confident	85.9	Confident	113 Å²	113	65.4 Å²	65.4	79%	0.79	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.3	-179.3	52.2	0	0	0	0	114.9
60	H	76.3	Confident	86	Confident	136 Å²	136	65.6 Å²	65.6	63%	0.63	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-9.7	179.3	-54	-81.2	0	0	0	112.8	N58	N58-H60 PolarHBondContact O-N 3.17Å; N58-H60 VanDerWaalsContact OD1-CA 3.28Å; N58-H60 WeakPolarHBondContact OD1-CA 3.31Å; N58-H60 VanDerWaalsContact OD1-CB 3.28Å; N58-H60 WeakPolarHBondContact OD1-CB 3.07Å; N58-H60 PolarHBondContact OD1-N 3.31Å
61	C	80.4	Confident	86.1	Confident	6 Å²	6	65.2 Å²	65.2	4%	0.041	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-151.5	108.9	-179	179.5	0	0	0	0	109.5	C35 A57 N58 E63	C35-C61 HydrophobicContact CB-CB 3.96Å; C35-C61 WeakPolarHBondContact CB-SG 3.47Å; C35-C61 WeakPolarHBondContact SG-CB 3.33Å; C35-C61 CovalentContact SG-SG 2.03Å; C35-C61 PolarHBondContact SG-SG 2.73Å; A57-C61 CarbonylContact C-O 3.54Å; A57-C61 WeakPolarHBondContact CA-O 3.27Å; N58-C61 PolarHBondContact N-O 2.63Å; N58-C61 CarbonylContact O-C 3.29Å; N58-C61 VanDerWaalsContact O-C 3.29Å; N58-C61 PolarHBondContact O-N 3.18Å; N58-C61 PolarHBondContact OD1-N 2.74Å; C61-E63 PolarHBondContact O-N 3.23Å; C61-E63 PolarHBondContact SG-O 3.03Å; C61-E63 VanDerWaalsContact SG-O 3.39Å
62	E	82.1	Confident	86	Confident	188 Å²	188	67.1 Å²	67.1	88%	0.879	35%	0.353	S	S	*	.	S	Bend	trans	-74.6	-13.3	-176.5	-62.1	-175.4	170.7	0	0	113.2	A57	A57-E62 WeakPolarHBondContact CB-O 3Å
63	E	81	Confident	85.9	Confident	144 Å²	144	72.6 Å²	72.6	67%	0.673	38%	0.381	S	S	*	.	S	Bend	trans	-97.9	150.3	-178.9	-61.2	-166	170	0	0	112.3	C61	C61-E63 PolarHBondContact O-N 3.23Å; C61-E63 PolarHBondContact SG-O 3.03Å; C61-E63 VanDerWaalsContact SG-O 3.39Å
64	T	83.9	Confident	85.9	Confident	74 Å²	74	72 Å²	72	45%	0.454	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-84.8	123.8	172.4	-63.6	0	0	0	0	109.7	I55	I55-T64 CarbonylContact O-C 3.57Å; I55-T64 WeakPolarHBondContact O-CA 3.45Å; I55-T64 WeakPolarHBondContact O-CG2 3.42Å
65	E	87.9	Confident	85.9	Confident	16 Å²	16	73.9 Å²	73.9	8%	0.075	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	143.4	-178.3	-41.4	-174.3	84.8	0	0	110.9	C35 R36 C37 I55	C35-E65 HydrophobicContact CB-CG 4.47Å; C35-E65 VanDerWaalsContact CB-OE1 3.26Å; C35-E65 WeakPolarHBondContact CB-OE1 3.4Å; R36-E65 WeakPolarHBondContact CA-OE1 3.47Å; R36-E65 WeakPolarHBondContact CB-OE2 3.29Å; R36-E65 VanDerWaalsContact N-CD 3.34Å; R36-E65 PolarHBondContact N-OE1 3.34Å; R36-E65 PolarHBondContact N-OE2 2.86Å; C37-E65 WeakPolarHBondContact CA-OE1 3.35Å; C37-E65 WeakPolarHBondContact CB-OE1 3.46Å; C37-E65 PolarHBondContact N-OE1 2.76Å; I55-E65 HydrophobicContact CB-CB 4.19Å; I55-E65 PolarHBondContact N-O 3.39Å; I55-E65 PolarHBondContact O-N 3.03Å
66	I	89.6	Confident	86	Confident	4 Å²	4	76.8 Å²	76.8	2%	0.021	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	115.2	177.3	-58.5	147.7	0	0	0	107.6	V52 E53 L54 C78 L79 P81 V86 I90	V52-I66 HydrophobicContact CG1-CG2 3.56Å; E53-I66 WeakPolarHBondContact O-CA 3.43Å; L54-I66 HydrophobicContact CG-CG1 4.5Å; I66-C78 CarbonylContact O-C 3.43Å; I66-C78 WeakPolarHBondContact O-CA 3.49Å; I66-L79 HydrophobicContact CB-CB 4.17Å; I66-L79 HydrophobicContact CG2-CB 4.01Å; I66-L79 HydrophobicContact CG2-CD1 4.08Å; I66-L79 HydrophobicContact CG2-CG 4.37Å; I66-L79 PolarHBondContact O-N 2.81Å; I66-P81 HydrophobicContact CD1-CB 3.75Å; I66-V86 HydrophobicContact CD1-CG1 3.79Å; I66-V86 HydrophobicContact CG2-CG1 4.43Å; I66-I90 HydrophobicContact CD1-CD1 3.57Å; I66-I90 HydrophobicContact CG1-CD1 4.1Å
67	I	90.8	Very high	86.2	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.021	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.1	-177.6	-57.4	179.6	0	0	0	108.7	R36 V52 E53 I55 E76	R36-I67 HydrophobicContact CB-CD1 4.25Å; R36-I67 HydrophobicContact CG-CD1 3.76Å; V52-I67 CarbonylContact C-O 3.55Å; V52-I67 WeakPolarHBondContact CA-O 3.45Å; E53-I67 PolarHBondContact N-O 2.67Å; E53-I67 PolarHBondContact O-N 2.85Å; I55-I67 HydrophobicContact CD1-CD1 3.64Å; I55-I67 HydrophobicContact CD1-CG1 4.38Å; I67-E76 HydrophobicContact CG2-CB 4.03Å; I67-E76 HydrophobicContact CG2-CG 4.45Å
68	A	91.3	Very high	86.5	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.2	178.6	0	0	0	0	0	111.1	I49 K51 V52 E76 V77 L79	I49-A68 HydrophobicContact CD1-CB 3.86Å; I49-A68 HydrophobicContact CG1-CB 4.1Å; I49-A68 HydrophobicContact CG2-CB 4.01Å; K51-A68 CarbonylContact O-C 3.55Å; K51-A68 VanDerWaalsContact O-CA 3.3Å; K51-A68 WeakPolarHBondContact O-CA 3.39Å; V52-A68 HydrophobicContact CG2-CB 4.33Å; A68-E76 CarbonylContact O-C 3.57Å; A68-E76 WeakPolarHBondContact O-CA 3.16Å; A68-V77 PolarHBondContact N-O 2.03Å; A68-V77 PolarHBondContact O-N 3.15Å; A68-L79 HydrophobicContact CB-CD1 3.74Å; A68-L79 HydrophobicContact CB-CD2 4.25Å; A68-L79 HydrophobicContact CB-CG 3.89Å
69	T	91.3	Very high	86.8	Confident	24 Å²	24	68.8 Å²	68.8	15%	0.147	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.6	172.2	-46	0	0	0	0	109.2	E50 K51 G74 Q75	E50-T69 WeakPolarHBondContact CB-O 3.45Å; E50-T69 PolarHBondContact N-O 3.08Å; K51-T69 PolarHBondContact N-O 3Å; K51-T69 PolarHBondContact O-N 2.96Å; T69-G74 WeakPolarHBondContact CG2-O 2.96Å; T69-Q75 WeakPolarHBondContact CA-O 3.27Å
70	L	90.5	Very high	87.1	Confident	23 Å²	23	64.6 Å²	64.6	12%	0.12	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.3	179.6	-62.3	-177	0	0	0	112.2	I45 H48 I49 K72 G74 Q75 V77	I45-L70 HydrophobicContact CD1-CD2 4.08Å; H48-L70 HydrophobicContact CB-CD2 4.2Å; H48-L70 CarbonylContact O-C 3.59Å; H48-L70 WeakPolarHBondContact O-CA 3.3Å; I49-L70 HydrophobicContact CG1-CD2 4.29Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 3.39Å; L70-G74 WeakPolarHBondContact O-CA 3.45Å; L70-G74 PolarHBondContact O-N 3.07Å; L70-Q75 HydrophobicContact CD1-CB 4.4Å; L70-Q75 PolarHBondContact N-O 2.8Å; L70-V77 HydrophobicContact CD1-CG2 3.85Å; L70-V77 HydrophobicContact CG-CG2 4.15Å
71	K	89.1	Confident	87.5	Confident	124 Å²	124	60.7 Å²	60.7	54%	0.539	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.5	-178.2	-69.5	178.4	179.4	175	0	115.1	H48 I49 E50	H48-K71 PolarHBondContact O-N 2.03Å; I49-K71 WeakPolarHBondContact O-CE 2.96Å; E50-K71 HydrophobicContact CB-CG 3.53Å; E50-K71 HydrophobicContact CG-CG 4.04Å
72	K	84.8	Confident	87.8	Confident	155 Å²	155	67.6 Å²	67.6	67%	0.674	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-50	-171.9	-72.4	-170.8	175.8	-172	0	111.4	L70	L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 3.39Å
73	D	87	Confident	88.2	Confident	133 Å²	133	59 Å²	59	71%	0.711	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	1.7	-167.2	-51.7	-60.1	0	0	0	112.4	Q75	D73-Q75 PolarHBondContact O-N 3.19Å
74	G	86.6	Confident	88.6	Confident	42 Å²	42	56.8 Å²	56.8	43%	0.433	30%	0.303	S	S	.	.			trans	67.3	11.5	-172.5	0	0	0	0	0	113.6	T69 L70 E76	T69-G74 WeakPolarHBondContact CG2-O 2.96Å; L70-G74 WeakPolarHBondContact O-CA 3.45Å; L70-G74 PolarHBondContact O-N 3.07Å; G74-E76 PolarHBondContact O-N 3.45Å
75	Q	88.1	Confident	88.8	Confident	114 Å²	114	55.4 Å²	55.4	53%	0.533	29%	0.29	S	S	.	.			trans	-65.6	132.2	-175.7	-174.2	177.5	29.8	0	0	111	T69 L70 D73 V77	T69-Q75 WeakPolarHBondContact CA-O 3.27Å; L70-Q75 HydrophobicContact CD1-CB 4.4Å; L70-Q75 PolarHBondContact N-O 2.8Å; D73-Q75 PolarHBondContact O-N 3.19Å; Q75-V77 HydrophobicContact CG-CG2 4.32Å
76	E	89.5	Confident	88.8	Confident	101 Å²	101	54.7 Å²	54.7	47%	0.472	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.6	171.5	-61.3	-171.7	118.9	0	0	110.4	R36 I67 A68 G74	R36-E76 IonicContact CZ-OE1 2.77Å; R36-E76 IonicContact NH2-OE1 2.96Å; R36-E76 PolarHBondContact NH2-OE1 3.33Å; R36-E76 IonicContact NH2-OE2 3.51Å; R36-E76 PolarHBondContact NH2-OE2 3.45Å; I67-E76 HydrophobicContact CG2-CB 4.03Å; I67-E76 HydrophobicContact CG2-CG 4.45Å; A68-E76 CarbonylContact O-C 3.57Å; A68-E76 WeakPolarHBondContact O-CA 3.16Å; G74-E76 PolarHBondContact O-N 3.45Å
77	V	89.9	Confident	88.8	Confident	19 Å²	19	59.8 Å²	59.8	12%	0.115	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.2	179.3	177.8	0	0	0	0	108.5	E41 I45 A68 L70 Q75 L79	E41-V77 HydrophobicContact CB-CG1 3.6Å; E41-V77 HydrophobicContact CG-CG1 3.48Å; E41-V77 VanDerWaalsContact CG-CG1 3.48Å; I45-V77 HydrophobicContact CD1-CB 4.38Å; I45-V77 HydrophobicContact CD1-CG1 3.95Å; A68-V77 PolarHBondContact N-O 2.03Å; A68-V77 PolarHBondContact O-N 3.15Å; L70-V77 HydrophobicContact CD1-CG2 3.85Å; L70-V77 HydrophobicContact CG-CG2 4.15Å; Q75-V77 HydrophobicContact CG-CG2 4.32Å; V77-L79 HydrophobicContact CG1-CD2 4.38Å
78	C	90.6	Very high	88.7	Confident	22 Å²	22	65.7 Å²	65.7	15%	0.149	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.3	172.5	-66.2	0	0	0	0	109.9	C37 Q39 E41 I66	C37-C78 WeakPolarHBondContact CA-SG 3.26Å; C37-C78 HydrophobicContact CB-CB 3.58Å; C37-C78 WeakPolarHBondContact CB-SG 3.48Å; C37-C78 WeakPolarHBondContact SG-CB 3.19Å; C37-C78 CovalentContact SG-SG 2.03Å; C37-C78 PolarHBondContact SG-SG 3.24Å; Q39-C78 VanDerWaalsContact O-CB 3.27Å; Q39-C78 WeakPolarHBondContact O-CB 3.42Å; E41-C78 PolarHBondContact N-O 3.03Å; I66-C78 CarbonylContact O-C 3.43Å; I66-C78 WeakPolarHBondContact O-CA 3.49Å
79	L	90.6	Very high	88.4	Confident	2 Å²	2	67 Å²	67	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.4	-179.8	-60.3	-173.7	0	0	0	110.5	I45 I49 I66 A68 V77 P81 W85 V86	I45-L79 HydrophobicContact CD1-CD2 4.13Å; I45-L79 HydrophobicContact CG1-CD2 4.38Å; I49-L79 HydrophobicContact CD1-CD1 3.89Å; I66-L79 HydrophobicContact CB-CB 4.17Å; I66-L79 HydrophobicContact CG2-CB 4.01Å; I66-L79 HydrophobicContact CG2-CD1 4.08Å; I66-L79 HydrophobicContact CG2-CG 4.37Å; I66-L79 PolarHBondContact O-N 2.81Å; A68-L79 HydrophobicContact CB-CD1 3.74Å; A68-L79 HydrophobicContact CB-CD2 4.25Å; A68-L79 HydrophobicContact CB-CG 3.89Å; V77-L79 HydrophobicContact CG1-CD2 4.38Å; L79-P81 WeakPolarHBondContact O-CD 3.28Å; L79-W85 HydrophobicContact CD1-CH2 3.81Å; L79-W85 HydrophobicContact CD1-CZ3 4.21Å; L79-W85 HydrophobicContact CD2-CH2 3.54Å; L79-W85 HydrophobicContact CD2-CZ2 3.96Å; L79-W85 HydrophobicContact CG-CH2 4.25Å; L79-V86 HydrophobicContact CB-CG1 3.93Å; L79-V86 HydrophobicContact CB-CG2 3.99Å; L79-V86 HydrophobicContact CD1-CG1 4.23Å; L79-V86 HydrophobicContact CD1-CG2 4.35Å
80	D	88.9	Confident	88.1	Confident	26 Å²	26	67.2 Å²	67.2	14%	0.139	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-75.3	116.4	176.4	175.9	3.8	0	0	0	111.3	E41 S42 E82 A83 V86	E41-D80 PolarHBondContact O-N 2.86Å; S42-D80 WeakPolarHBondContact CB-OD2 3.04Å; S42-D80 VanDerWaalsContact OG-CB 3.29Å; S42-D80 WeakPolarHBondContact OG-CB 3.17Å; S42-D80 PolarHBondContact OG-OD2 3.19Å; D80-E82 PolarHBondContact O-N 2.84Å; D80-E82 WeakPolarHBondContact OD1-CB 3.28Å; D80-E82 PolarHBondContact OD1-N 2.66Å; D80-A83 HydrophobicContact CB-CB 4.18Å; D80-A83 WeakPolarHBondContact O-CB 3.46Å; D80-A83 PolarHBondContact O-N 3.12Å; D80-V86 WeakPolarHBondContact O-CB 3.45Å; D80-V86 VanDerWaalsContact O-CG2 3.27Å; D80-V86 WeakPolarHBondContact O-CG2 3Å
81	P	84.4	Confident	87.8	Confident	53 Å²	53	72.4 Å²	72.4	34%	0.344	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.2	178.9	26.5	-33.6	0	0	0	113.5	I66 L79 K87	I66-P81 HydrophobicContact CD1-CB 3.75Å; L79-P81 WeakPolarHBondContact O-CD 3.28Å; P81-K87 WeakPolarHBondContact O-CE 3.43Å
82	E	86.6	Confident	87.5	Confident	152 Å²	152	75.1 Å²	75.1	71%	0.71	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-27.5	179.8	-59.2	-163.2	158.4	0	0	112	D80	D80-E82 PolarHBondContact O-N 2.84Å; D80-E82 WeakPolarHBondContact OD1-CB 3.28Å; D80-E82 PolarHBondContact OD1-N 2.66Å
83	A	89.2	Confident	87.1	Confident	8 Å²	8	69.7 Å²	69.7	7%	0.066	35%	0.35	C	S	.	.	S	Bend	trans	-63.3	127.3	-176.6	0	0	0	0	0	112.5	D80 W85 V86 K87	D80-A83 HydrophobicContact CB-CB 4.18Å; D80-A83 WeakPolarHBondContact O-CB 3.46Å; D80-A83 PolarHBondContact O-N 3.12Å; A83-W85 VanDerWaalsContact C-N 3.26Å; A83-W85 PolarHBondContact O-N 3.33Å; A83-W85 VanDerWaalsContact O-N 3.12Å; A83-V86 HydrophobicContact CB-CB 4.39Å; A83-V86 HydrophobicContact CB-CG2 3.86Å; A83-V86 PolarHBondContact O-N 3Å; A83-K87 PolarHBondContact O-N 2.97Å
84	P	89.8	Confident	86.6	Confident	97 Å²	97	68.7 Å²	68.7	63%	0.63	34%	0.342	S	S	*	.	H	α-helix	trans	-60	-30.5	-175.1	-27.5	34.2	0	0	0	115	K88	P84-K88 WeakPolarHBondContact O-CG 3.44Å; P84-K88 PolarHBondContact O-N 3.45Å
85	W	88.7	Confident	86.1	Confident	45 Å²	45	69.4 Å²	69.4	17%	0.17	34%	0.344	C	S	.	.	H	α-helix	trans	-74.8	-31.3	179.5	74.2	-92.3	0	0	0	112.1	S42 R43 P44 I45 I49 L79 A83 K88 V89	S42-W85 PolarHBondContact O-NE1 3.04Å; R43-W85 WeakPolarHBondContact O-CZ2 3.48Å; P44-W85 HydrophobicContact CB-CG 4.49Å; I45-W85 HydrophobicContact CG1-CH2 3.85Å; I45-W85 HydrophobicContact CG1-CZ2 4.35Å; I49-W85 HydrophobicContact CD1-CH2 4.12Å; I49-W85 HydrophobicContact CD1-CZ3 3.88Å; L79-W85 HydrophobicContact CD1-CH2 3.81Å; L79-W85 HydrophobicContact CD1-CZ3 4.21Å; L79-W85 HydrophobicContact CD2-CH2 3.54Å; L79-W85 HydrophobicContact CD2-CZ2 3.96Å; L79-W85 HydrophobicContact CG-CH2 4.25Å; A83-W85 VanDerWaalsContact C-N 3.26Å; A83-W85 PolarHBondContact O-N 3.33Å; A83-W85 VanDerWaalsContact O-N 3.12Å; W85-K88 WeakPolarHBondContact O-CB 3.32Å; W85-K88 PolarHBondContact O-N 3Å; W85-V89 HydrophobicContact CE3-CG2 3.89Å; W85-V89 HydrophobicContact CZ3-CG2 4.02Å; W85-V89 WeakPolarHBondContact O-CG2 3.44Å; W85-V89 PolarHBondContact O-N 3.16Å
86	V	88.7	Confident	85.1	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.8	-45	177.7	178.7	0	0	0	0	109.6	I66 L79 D80 A83 K88 V89 I90	I66-V86 HydrophobicContact CD1-CG1 3.79Å; I66-V86 HydrophobicContact CG2-CG1 4.43Å; L79-V86 HydrophobicContact CB-CG1 3.93Å; L79-V86 HydrophobicContact CB-CG2 3.99Å; L79-V86 HydrophobicContact CD1-CG1 4.23Å; L79-V86 HydrophobicContact CD1-CG2 4.35Å; D80-V86 WeakPolarHBondContact O-CB 3.45Å; D80-V86 VanDerWaalsContact O-CG2 3.27Å; D80-V86 WeakPolarHBondContact O-CG2 3Å; A83-V86 HydrophobicContact CB-CB 4.39Å; A83-V86 HydrophobicContact CB-CG2 3.86Å; A83-V86 PolarHBondContact O-N 3Å; V86-K88 VanDerWaalsContact C-N 3.28Å; V86-K88 PolarHBondContact O-N 3.32Å; V86-V89 WeakPolarHBondContact O-CB 3.31Å; V86-V89 PolarHBondContact O-N 3.1Å; V86-I90 HydrophobicContact CG1-CD1 4.08Å; V86-I90 WeakPolarHBondContact O-CG1 3.23Å; V86-I90 PolarHBondContact O-N 3.06Å
87	K	89.2	Confident	83.7	Confident	112 Å²	112	74.4 Å²	74.4	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-53.8	-43.8	172.1	-65	178.2	-178.2	171.3	0	112.1	P81 A83 I90 Q91	P81-K87 WeakPolarHBondContact O-CE 3.43Å; A83-K87 PolarHBondContact O-N 2.97Å; K87-I90 PolarHBondContact O-N 3.28Å; K87-Q91 WeakPolarHBondContact O-CG 3.26Å; K87-Q91 PolarHBondContact O-N 3.09Å
88	K	87.9	Confident	82	Confident	127 Å²	127	78.1 Å²	78.1	55%	0.552	39%	0.385	S	S	*	.	H	α-helix	trans	-64.5	-38.5	176.3	-70.4	176.1	-177.8	179.5	0	112.6	P84 W85 V86 R92	P84-K88 WeakPolarHBondContact O-CG 3.44Å; P84-K88 PolarHBondContact O-N 3.45Å; W85-K88 WeakPolarHBondContact O-CB 3.32Å; W85-K88 PolarHBondContact O-N 3Å; V86-K88 VanDerWaalsContact C-N 3.28Å; V86-K88 PolarHBondContact O-N 3.32Å; K88-R92 VanDerWaalsContact O-CG 3.31Å; K88-R92 WeakPolarHBondContact O-CG 3.46Å; K88-R92 PolarHBondContact O-N 3.39Å; K88-R92 VanDerWaalsContact O-N 3.1Å
89	V	85.6	Confident	80	Confident	27 Å²	27	80.2 Å²	80.2	16%	0.164	40%	0.397	C	S	.	.	H	α-helix	trans	-64.8	-47.4	176.5	170.3	0	0	0	0	110.3	V52 W85 V86 Q91 R92 I93	V52-V89 HydrophobicContact CG2-CG1 4.07Å; W85-V89 HydrophobicContact CE3-CG2 3.89Å; W85-V89 HydrophobicContact CZ3-CG2 4.02Å; W85-V89 WeakPolarHBondContact O-CG2 3.44Å; W85-V89 PolarHBondContact O-N 3.16Å; V86-V89 WeakPolarHBondContact O-CB 3.31Å; V86-V89 PolarHBondContact O-N 3.1Å; V89-Q91 PolarHBondContact O-N 3.49Å; V89-R92 PolarHBondContact O-N 3.06Å; V89-I93 HydrophobicContact CG1-CD1 3.76Å; V89-I93 HydrophobicContact CG1-CG1 4.43Å; V89-I93 WeakPolarHBondContact O-CG1 3.36Å; V89-I93 PolarHBondContact O-N 3.41Å
90	I	83.9	Confident	78.4	Confident	29 Å²	29	82.4 Å²	82.4	15%	0.149	41%	0.412	C	S	.	.	H	α-helix	trans	-57.6	-49.3	177.2	-66	166.6	0	0	0	110.7	L54 I66 V86 K87 R92 I93 M94	L54-I90 HydrophobicContact CD2-CD1 4.24Å; L54-I90 HydrophobicContact CD2-CG1 4.22Å; L54-I90 HydrophobicContact CD2-CG2 3.86Å; I66-I90 HydrophobicContact CD1-CD1 3.57Å; I66-I90 HydrophobicContact CG1-CD1 4.1Å; V86-I90 HydrophobicContact CG1-CD1 4.08Å; V86-I90 WeakPolarHBondContact O-CG1 3.23Å; V86-I90 PolarHBondContact O-N 3.06Å; K87-I90 PolarHBondContact O-N 3.28Å; I90-R92 VanDerWaalsContact C-N 3.3Å; I90-R92 PolarHBondContact O-N 2.84Å; I90-I93 PolarHBondContact O-N 3.39Å; I90-I93 VanDerWaalsContact O-N 3.1Å; I90-M94 HydrophobicContact CG2-CG 4.19Å; I90-M94 HydrophobicContact CG2-SD 3.73Å; I90-M94 WeakPolarHBondContact O-CG 3.39Å; I90-M94 PolarHBondContact O-N 3.19Å
91	Q	85.1	Confident	76.9	Confident	133 Å²	133	86 Å²	86	62%	0.621	44%	0.44	S	S	*	.	H	α-helix	trans	-56.3	-42.8	177.5	-76.9	179	-21.1	0	0	112.5	K87 V89 M94 A95	K87-Q91 WeakPolarHBondContact O-CG 3.26Å; K87-Q91 PolarHBondContact O-N 3.09Å; V89-Q91 PolarHBondContact O-N 3.49Å; Q91-M94 PolarHBondContact O-N 3.49Å; Q91-A95 VanDerWaalsContact O-CB 3.26Å; Q91-A95 WeakPolarHBondContact O-CB 3.44Å; Q91-A95 PolarHBondContact O-N 2.98Å
92	R	82.9	Confident	75.4	Confident	181 Å²	181	89.2 Å²	89.2	68%	0.683	45%	0.454	S	S	*	.	H	α-helix	trans	-65.5	-39.7	177.1	-72.3	177.8	-171.2	-166.3	2.5	112.2	K88 V89 I90 K96	K88-R92 VanDerWaalsContact O-CG 3.31Å; K88-R92 WeakPolarHBondContact O-CG 3.46Å; K88-R92 PolarHBondContact O-N 3.39Å; K88-R92 VanDerWaalsContact O-N 3.1Å; V89-R92 PolarHBondContact O-N 3.06Å; I90-R92 VanDerWaalsContact C-N 3.3Å; I90-R92 PolarHBondContact O-N 2.84Å; R92-K96 WeakPolarHBondContact O-CB 3.44Å; R92-K96 WeakPolarHBondContact O-CG 3.26Å; R92-K96 PolarHBondContact O-N 3.26Å
93	I	76.4	Confident	73.5	Confident	41 Å²	41	93.5 Å²	93.5	21%	0.21	46%	0.464	C	S	.	.	H	α-helix	trans	-69.4	-42.5	179.2	-65.8	173.3	0	0	0	110.4	V52 V89 I90 K96 K97	V52-I93 HydrophobicContact CB-CD1 3.51Å; V52-I93 HydrophobicContact CG1-CD1 4.3Å; V52-I93 HydrophobicContact CG2-CD1 3.43Å; V52-I93 VanDerWaalsContact CG2-CD1 3.43Å; V89-I93 HydrophobicContact CG1-CD1 3.76Å; V89-I93 HydrophobicContact CG1-CG1 4.43Å; V89-I93 WeakPolarHBondContact O-CG1 3.36Å; V89-I93 PolarHBondContact O-N 3.41Å; I90-I93 PolarHBondContact O-N 3.39Å; I90-I93 VanDerWaalsContact O-N 3.1Å; I93-K96 PolarHBondContact O-N 3.42Å; I93-K97 WeakPolarHBondContact O-CG 3.32Å; I93-K97 PolarHBondContact O-N 2.83Å; I93-K97 VanDerWaalsContact O-N 3.09Å
94	M	76.2	Confident	72	Confident	111 Å²	111	98.3 Å²	98.3	55%	0.547	50%	0.497	S	S	.	.	H	α-helix	trans	-62.8	-46.3	174.5	-69.4	-179.8	74.4	0	0	111.2	I90 Q91 K96 K97 T98	I90-M94 HydrophobicContact CG2-CG 4.19Å; I90-M94 HydrophobicContact CG2-SD 3.73Å; I90-M94 WeakPolarHBondContact O-CG 3.39Å; I90-M94 PolarHBondContact O-N 3.19Å; Q91-M94 PolarHBondContact O-N 3.49Å; M94-K96 VanDerWaalsContact C-N 3.29Å; M94-K96 PolarHBondContact O-N 3.2Å; M94-K97 WeakPolarHBondContact O-CA 3.15Å; M94-K97 WeakPolarHBondContact O-CB 3.39Å; M94-K97 PolarHBondContact O-N 2.99Å; M94-T98 PolarHBondContact O-N 2.9Å; M94-T98 PolarHBondContact O-OG1 3.28Å
95	A	75.1	Confident	70.6	Confident	57 Å²	57	98.8 Å²	98.8	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-58.9	-38.5	176.7	0	0	0	0	0	112.7	Q91 K97 T98 T99	Q91-A95 VanDerWaalsContact O-CB 3.26Å; Q91-A95 WeakPolarHBondContact O-CB 3.44Å; Q91-A95 PolarHBondContact O-N 2.98Å; A95-K97 VanDerWaalsContact C-N 3.32Å; A95-K97 PolarHBondContact O-N 3.15Å; A95-T98 PolarHBondContact O-N 3.22Å; A95-T99 PolarHBondContact O-N 3.22Å; A95-T99 VanDerWaalsContact O-N 3.09Å
96	K	67.1	Low	69.2	Low	164 Å²	164	100.3 Å²	100.3	71%	0.713	51%	0.511	S	S	*	.	H	α-helix	trans	-69.6	-22.8	173.1	-76	-176.2	176.4	-161.1	0	114.4	R92 I93 M94 T99	R92-K96 WeakPolarHBondContact O-CB 3.44Å; R92-K96 WeakPolarHBondContact O-CG 3.26Å; R92-K96 PolarHBondContact O-N 3.26Å; I93-K96 PolarHBondContact O-N 3.42Å; M94-K96 VanDerWaalsContact C-N 3.29Å; M94-K96 PolarHBondContact O-N 3.2Å; K96-T99 PolarHBondContact O-OG1 3.48Å
97	K	60.1	Low	67.3	Low	156 Å²	156	103.5 Å²	103.5	68%	0.678	54%	0.544	S	S	*	.	H	α-helix	trans	-83.4	-30.9	171.9	-71	-178.5	-179.7	178.6	0	111.4	I93 M94 A95 T99	I93-K97 WeakPolarHBondContact O-CG 3.32Å; I93-K97 PolarHBondContact O-N 2.83Å; I93-K97 VanDerWaalsContact O-N 3.09Å; M94-K97 WeakPolarHBondContact O-CA 3.15Å; M94-K97 WeakPolarHBondContact O-CB 3.39Å; M94-K97 PolarHBondContact O-N 2.99Å; A95-K97 VanDerWaalsContact C-N 3.32Å; A95-K97 PolarHBondContact O-N 3.15Å; K97-T99 VanDerWaalsContact C-N 3.27Å
98	T	54.3	Low	65.7	Low	97 Å²	97	106.3 Å²	106.3	60%	0.595	56%	0.556	S	S	*	*	H	α-helix	trans	-78.6	-9.4	176.1	-48	0	0	0	0	112.7	M94 A95 C100	M94-T98 PolarHBondContact O-N 2.9Å; M94-T98 PolarHBondContact O-OG1 3.28Å; A95-T98 PolarHBondContact O-N 3.22Å; T98-C100 PolarHBondContact O-N 3.16Å
99	T	50.3	Low	64.1	Low	66 Å²	66	105.8 Å²	105.8	41%	0.405	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.9	91.9	161.5	42.4	0	0	0	0	109.2	A95 K96 K97 V109	A95-T99 PolarHBondContact O-N 3.22Å; A95-T99 VanDerWaalsContact O-N 3.09Å; K96-T99 PolarHBondContact O-OG1 3.48Å; K97-T99 VanDerWaalsContact C-N 3.27Å; T99-V109 HydrophobicContact CG2-CB 4.2Å; T99-V109 HydrophobicContact CG2-CG1 4.18Å; T99-V109 HydrophobicContact CG2-CG2 3.98Å
100	C	55.9	Low	62.2	Low	48 Å²	48	108.9 Å²	108.9	32%	0.324	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	88.9	71.3	165.9	-37.9	0	0	0	0	116.2	T98 N102 C106	T98-C100 PolarHBondContact O-N 3.16Å; C100-N102 VanDerWaalsContact C-N 3.34Å; C100-C106 HydrophobicContact CB-CB 4.09Å; C100-C106 WeakPolarHBondContact CB-SG 3.44Å; C100-C106 WeakPolarHBondContact SG-CA 3.26Å; C100-C106 WeakPolarHBondContact SG-CB 3.46Å; C100-C106 CovalentContact SG-SG 2.04Å; C100-C106 PolarHBondContact SG-SG 3.4Å
101	S	56.8	Low	60.1	Low	102 Å²	102	122.2 Å²	122.2	71%	0.713	64%	0.64	S	S	*	*	S	Bend	trans	-80	-13.4	151.9	47.2	0	0	0	0	113.2
102	N	53.8	Low	58.8	Low	120 Å²	120	121.7 Å²	121.7	64%	0.642	64%	0.641	S	S	*	*	S	Bend	trans	-146.8	143.4	168.7	-101.1	-11	0	0	0	111.1	C100 S104 D105	C100-N102 VanDerWaalsContact C-N 3.34Å; N102-S104 PolarHBondContact O-N 3.13Å; N102-S104 VanDerWaalsContact O-N 3.12Å; N102-D105 PolarHBondContact O-N 3.25Å
103	W	47.6	Very low	57.6	Low	243 Å²	243	118.6 Å²	118.6	92%	0.92	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-56.6	-29.1	-175.4	-176.7	-92.8	0	0	0	113.8	D105 C106	W103-D105 PolarHBondContact O-N 3.36Å; W103-C106 PolarHBondContact O-N 3.13Å
104	S	57	Low	56.5	Low	109 Å²	109	122.9 Å²	122.9	76%	0.762	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-62.6	-21.7	-178.9	-37.4	0	0	0	0	114.5	N102	N102-S104 PolarHBondContact O-N 3.13Å; N102-S104 VanDerWaalsContact O-N 3.12Å
105	D	59.8	Low	55.4	Low	107 Å²	107	123.6 Å²	123.6	57%	0.572	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-101.8	-4.5	-176.2	-114.8	-16.2	0	0	0	114	N102 W103 G107	N102-D105 PolarHBondContact O-N 3.25Å; W103-D105 PolarHBondContact O-N 3.36Å; D105-G107 PolarHBondContact O-N 3.42Å
106	C	59.8	Low	54.1	Low	76 Å²	76	127.8 Å²	127.8	51%	0.514	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	-8.4	-174.2	-128.1	0	0	0	0	114.7	C100 W103	C100-C106 HydrophobicContact CB-CB 4.09Å; C100-C106 WeakPolarHBondContact CB-SG 3.44Å; C100-C106 WeakPolarHBondContact SG-CA 3.26Å; C100-C106 WeakPolarHBondContact SG-CB 3.46Å; C100-C106 CovalentContact SG-SG 2.04Å; C100-C106 PolarHBondContact SG-SG 3.4Å; W103-C106 PolarHBondContact O-N 3.13Å
107	G	49.5	Very low	53.3	Low	68 Å²	68	125.3 Å²	125.3	70%	0.701	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-0.5	-172.3	0	0	0	0	0	117	D105	D105-G107 PolarHBondContact O-N 3.42Å
108	K	55.3	Low	52.8	Low	170 Å²	170	123.1 Å²	123.1	74%	0.739	68%	0.68	S	S	*	*	S	Bend	trans	-124.3	8.1	-171.2	-73.6	-177.3	-65.8	-156.2	0	115.9	A110	K108-A110 VanDerWaalsContact C-N 3.35Å
109	V	54.7	Low	52.7	Low	116 Å²	116	125.2 Å²	125.2	70%	0.703	69%	0.687	S	S	*	*	S	Bend	trans	-105.8	31.8	171.2	-167.8	0	0	0	0	110.5	T99	T99-V109 HydrophobicContact CG2-CB 4.2Å; T99-V109 HydrophobicContact CG2-CG1 4.18Å; T99-V109 HydrophobicContact CG2-CG2 3.98Å
110	A	44.2	Very low	52.9	Low	92 Å²	92	130.1 Å²	130.1	76%	0.76	71%	0.71	S	S	*	*			trans	-141.9	61.6	168.5	0	0	0	0	0	108.5	K108	K108-A110 VanDerWaalsContact C-N 3.35Å
111	R	40.1	Very low	52.6	Low	310 Å²	310	137.5 Å²	137.5	100%	1.17	75%	0.745	S	S	*	*			trans	-150.4	0	151.4	-137.5	-173.1	-68	163.7	-2.9	110.3

Retrieved 111 of 111 residues in 29.4 ms (Link to these results)

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