A0A5K4FCX0_SCHMA Loading...

dCMP deaminase

AlphaFold DB , UniProt , Accession A0A5K4FCX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 109 aa.

						>A0A5K4FCX0_SCHMA|A0A5K4FCX0
MMMSLGEKDQQMNLKISIFMEFVVCHAELNAVLNRNEAHSGGCTLFTTMFPCNECAKVIIQAGIKEVVYYSDKKNGTESNQAAKYLFNKADVSIRKFTPTNRTININLD
					

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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	69.5	Low	86	Confident	244 Å²	244	115.6 Å²	115.6	100%	1.202	60%	0.597	S	S	*	*				0	124.3	0	-166.4	169.9	-175.9	0	0	107.3
2	M	79.5	Confident	86.1	Confident	173 Å²	173	114.8 Å²	114.8	85%	0.852	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-83.4	125.7	-176.2	-141.8	173.4	176.4	0	0	108.4
3	M	82.4	Confident	86.2	Confident	93 Å²	93	113.8 Å²	113.8	46%	0.458	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-60.7	138.8	177.1	-71.7	173.9	127.1	0	0	110.5	E7 K8	M3-E7 WeakPolarHBondContact CA-OE2 3.48Å; M3-E7 HydrophobicContact CB-CB 4.26Å; M3-K8 HydrophobicContact CB-CG 4.06Å; M3-K8 WeakPolarHBondContact O-CE 3.49Å
4	S	90.6	Very high	86.1	Confident	60 Å²	60	113.6 Å²	113.6	42%	0.42	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-62.9	158.2	173.3	69.5	0	0	0	0	111.1	G6 E7 K8	S4-G6 VanDerWaalsContact C-N 3.27Å; S4-G6 PolarHBondContact O-N 3.09Å; S4-E7 PolarHBondContact N-OE2 3.24Å; S4-E7 PolarHBondContact O-N 2.8Å; S4-E7 VanDerWaalsContact OG-CG 3.25Å; S4-E7 WeakPolarHBondContact OG-CG 3.25Å; S4-E7 PolarHBondContact OG-N 3.04Å; S4-E7 PolarHBondContact OG-OE2 3.24Å; S4-K8 WeakPolarHBondContact O-CG 3.42Å; S4-K8 PolarHBondContact O-N 3.42Å; S4-K8 VanDerWaalsContact O-N 3.08Å
5	L	86	Confident	86	Confident	139 Å²	139	116.5 Å²	116.5	73%	0.728	59%	0.593	S	S	*	*	H	α-helix	trans	-55.1	-43.9	175.4	-82.1	151	0	0	0	111.6	E7 K8 D9	L5-E7 PolarHBondContact O-N 3.44Å; L5-K8 WeakPolarHBondContact O-CB 3.44Å; L5-K8 PolarHBondContact O-N 3.21Å; L5-D9 PolarHBondContact O-N 3.39Å
6	G	91	Very high	85.8	Confident	44 Å²	44	115.1 Å²	115.1	45%	0.454	59%	0.586	S	S	.	*	H	α-helix	trans	-63.1	-39.1	178.1	0	0	0	0	0	113.8	S4 K8 D9 Q10	S4-G6 VanDerWaalsContact C-N 3.27Å; S4-G6 PolarHBondContact O-N 3.09Å; G6-K8 VanDerWaalsContact C-N 3.33Å; G6-K8 PolarHBondContact O-N 2.96Å; G6-D9 PolarHBondContact O-N 3.04Å; G6-Q10 WeakPolarHBondContact O-CB 3.37Å; G6-Q10 PolarHBondContact O-N 2.81Å
7	E	92.4	Very high	85.5	Confident	99 Å²	99	112.3 Å²	112.3	46%	0.463	58%	0.579	S	S	.	*	H	α-helix	trans	-65.3	-37.9	174.7	-73.8	167.5	145.5	0	0	111.8	M3 S4 L5 Q10 Q11	M3-E7 WeakPolarHBondContact CA-OE2 3.48Å; M3-E7 HydrophobicContact CB-CB 4.26Å; S4-E7 PolarHBondContact N-OE2 3.24Å; S4-E7 PolarHBondContact O-N 2.8Å; S4-E7 VanDerWaalsContact OG-CG 3.25Å; S4-E7 WeakPolarHBondContact OG-CG 3.25Å; S4-E7 PolarHBondContact OG-N 3.04Å; S4-E7 PolarHBondContact OG-OE2 3.24Å; L5-E7 PolarHBondContact O-N 3.44Å; E7-Q10 PolarHBondContact O-N 2.69Å; E7-Q11 WeakPolarHBondContact O-CB 3.23Å; E7-Q11 PolarHBondContact O-N 3.37Å
8	K	89.1	Confident	85.2	Confident	93 Å²	93	110.3 Å²	110.3	40%	0.404	57%	0.569	S	S	.	*	H	α-helix	trans	-65.8	-43	175.7	-69.8	176	-177.9	175.2	0	111.5	M3 S4 L5 G6 Q10 Q11 M12	M3-K8 HydrophobicContact CB-CG 4.06Å; M3-K8 WeakPolarHBondContact O-CE 3.49Å; S4-K8 WeakPolarHBondContact O-CG 3.42Å; S4-K8 PolarHBondContact O-N 3.42Å; S4-K8 VanDerWaalsContact O-N 3.08Å; L5-K8 WeakPolarHBondContact O-CB 3.44Å; L5-K8 PolarHBondContact O-N 3.21Å; G6-K8 VanDerWaalsContact C-N 3.33Å; G6-K8 PolarHBondContact O-N 2.96Å; K8-Q10 VanDerWaalsContact C-N 3.34Å; K8-Q10 PolarHBondContact O-N 2.78Å; K8-Q11 PolarHBondContact O-N 3.23Å; K8-M12 WeakPolarHBondContact O-CB 3.38Å; K8-M12 PolarHBondContact O-N 3.44Å
9	D	90.5	Very high	85.3	Confident	82 Å²	82	111.6 Å²	111.6	44%	0.439	57%	0.57	S	S	.	*	H	α-helix	trans	-63.1	-42.7	177.4	-67.5	-24.9	0	0	0	111.1	L5 G6 M12 N13	L5-D9 PolarHBondContact O-N 3.39Å; G6-D9 PolarHBondContact O-N 3.04Å; D9-M12 PolarHBondContact O-N 3.5Å; D9-N13 WeakPolarHBondContact O-CB 3.44Å; D9-N13 PolarHBondContact O-N 2.9Å; D9-N13 PolarHBondContact O-ND2 3.26Å
10	Q	87.6	Confident	85.1	Confident	144 Å²	144	111.5 Å²	111.5	67%	0.673	57%	0.568	S	S	*	*	H	α-helix	trans	-65.7	-40.2	177.5	-160.9	164.6	3	0	0	111.8	G6 E7 K8 N13 L14	G6-Q10 WeakPolarHBondContact O-CB 3.37Å; G6-Q10 PolarHBondContact O-N 2.81Å; E7-Q10 PolarHBondContact O-N 2.69Å; K8-Q10 VanDerWaalsContact C-N 3.34Å; K8-Q10 PolarHBondContact O-N 2.78Å; Q10-N13 PolarHBondContact O-N 3.24Å; Q10-L14 WeakPolarHBondContact O-CB 3.39Å; Q10-L14 PolarHBondContact O-N 3.37Å
11	Q	87.5	Confident	84.8	Confident	101 Å²	101	112.4 Å²	112.4	47%	0.472	57%	0.571	S	S	.	*	H	α-helix	trans	-65.8	-38.5	174.4	-169.3	174.1	40.5	0	0	112.2	E7 K8 L14 K15	E7-Q11 WeakPolarHBondContact O-CB 3.23Å; E7-Q11 PolarHBondContact O-N 3.37Å; K8-Q11 PolarHBondContact O-N 3.23Å; Q11-L14 PolarHBondContact O-N 3.32Å; Q11-K15 PolarHBondContact O-N 3.36Å
12	M	87.4	Confident	85.5	Confident	106 Å²	106	108.9 Å²	108.9	52%	0.522	55%	0.549	S	S	.	.	H	α-helix	trans	-66	-45	176.3	-170.6	165.8	68.2	0	0	111.2	K8 D9 L14 K15 I16	K8-M12 WeakPolarHBondContact O-CB 3.38Å; K8-M12 PolarHBondContact O-N 3.44Å; D9-M12 PolarHBondContact O-N 3.5Å; M12-L14 VanDerWaalsContact C-N 3.33Å; M12-L14 PolarHBondContact O-N 3.47Å; M12-K15 WeakPolarHBondContact O-CB 3.45Å; M12-K15 PolarHBondContact O-N 2.97Å; M12-I16 HydrophobicContact CG-CD1 4.17Å; M12-I16 WeakPolarHBondContact O-CG1 3.39Å; M12-I16 PolarHBondContact O-N 2.96Å
13	N	87	Confident	86	Confident	101 Å²	101	104.5 Å²	104.5	54%	0.54	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-40.1	175.3	-75.2	-31.8	0	0	0	112.2	D9 Q10 I16 S17	D9-N13 WeakPolarHBondContact O-CB 3.44Å; D9-N13 PolarHBondContact O-N 2.9Å; D9-N13 PolarHBondContact O-ND2 3.26Å; Q10-N13 PolarHBondContact O-N 3.24Å; N13-I16 PolarHBondContact O-N 2.84Å; N13-S17 WeakPolarHBondContact O-CB 3.48Å; N13-S17 PolarHBondContact O-N 3.3Å
14	L	84.2	Confident	86.5	Confident	112 Å²	112	103.3 Å²	103.3	59%	0.586	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-43.9	175.2	-167.3	71.5	0	0	0	111.2	Q10 Q11 M12 I16 S17 I18	Q10-L14 WeakPolarHBondContact O-CB 3.39Å; Q10-L14 PolarHBondContact O-N 3.37Å; Q11-L14 PolarHBondContact O-N 3.32Å; M12-L14 VanDerWaalsContact C-N 3.33Å; M12-L14 PolarHBondContact O-N 3.47Å; L14-I16 VanDerWaalsContact C-N 3.35Å; L14-I16 PolarHBondContact O-N 2.9Å; L14-S17 PolarHBondContact O-N 2.92Å; L14-I18 HydrophobicContact CG-CD1 4.07Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.4Å; L14-I18 PolarHBondContact O-N 3.37Å
15	K	84.8	Confident	86.8	Confident	157 Å²	157	103.7 Å²	103.7	68%	0.683	53%	0.531	S	S	*	.	H	α-helix	trans	-59	-44	174.1	-93.7	-172.6	173.6	-176.9	0	112.4	Q11 M12 I18 F19	Q11-K15 PolarHBondContact O-N 3.36Å; M12-K15 WeakPolarHBondContact O-CB 3.45Å; M12-K15 PolarHBondContact O-N 2.97Å; K15-I18 PolarHBondContact O-N 3.36Å; K15-F19 WeakPolarHBondContact O-CB 3.3Å; K15-F19 PolarHBondContact O-N 3.36Å
16	I	83.6	Confident	87.2	Confident	94 Å²	94	100.5 Å²	100.5	48%	0.482	51%	0.513	S	S	.	.	H	α-helix	trans	-63.9	-44.6	178.2	-68.9	166.1	0	0	0	110.5	M12 N13 L14 I18 F19 M20	M12-I16 HydrophobicContact CG-CD1 4.17Å; M12-I16 WeakPolarHBondContact O-CG1 3.39Å; M12-I16 PolarHBondContact O-N 2.96Å; N13-I16 PolarHBondContact O-N 2.84Å; L14-I16 VanDerWaalsContact C-N 3.35Å; L14-I16 PolarHBondContact O-N 2.9Å; I16-I18 PolarHBondContact O-N 3.06Å; I16-F19 PolarHBondContact O-N 3.33Å; I16-M20 PolarHBondContact O-N 3.44Å
17	S	80.9	Confident	87.5	Confident	67 Å²	67	101.6 Å²	101.6	47%	0.469	52%	0.517	S	S	.	.	H	α-helix	trans	-60.4	-46.4	178.3	-171.6	0	0	0	0	111.8	N13 L14 F19 M20 E21	N13-S17 WeakPolarHBondContact O-CB 3.48Å; N13-S17 PolarHBondContact O-N 3.3Å; L14-S17 PolarHBondContact O-N 2.92Å; S17-F19 VanDerWaalsContact C-N 3.35Å; S17-M20 PolarHBondContact O-N 3.38Å; S17-E21 PolarHBondContact O-N 3.48Å
18	I	80	Confident	87.8	Confident	77 Å²	77	97.6 Å²	97.6	40%	0.395	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-44.6	177.5	-69.1	167.2	0	0	0	110.2	L14 K15 I16 M20 E21 F22	L14-I18 HydrophobicContact CG-CD1 4.07Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.4Å; L14-I18 PolarHBondContact O-N 3.37Å; K15-I18 PolarHBondContact O-N 3.36Å; I16-I18 PolarHBondContact O-N 3.06Å; I18-M20 VanDerWaalsContact C-N 3.3Å; I18-M20 PolarHBondContact O-N 2.74Å; I18-E21 PolarHBondContact O-N 2.98Å; I18-F22 HydrophobicContact CG2-CD2 4Å; I18-F22 HydrophobicContact CG2-CE2 3.53Å; I18-F22 WeakPolarHBondContact O-CD2 3.35Å; I18-F22 PolarHBondContact O-N 2.94Å
19	F	86.6	Confident	88.1	Confident	134 Å²	134	95.4 Å²	95.4	59%	0.588	49%	0.491	S	S	*	.	H	α-helix	trans	-60.4	-40.5	177.9	-175.4	-100.1	0	0	0	112.2	K15 I16 S17 E21 F22 V23	K15-F19 WeakPolarHBondContact O-CB 3.3Å; K15-F19 PolarHBondContact O-N 3.36Å; I16-F19 PolarHBondContact O-N 3.33Å; S17-F19 VanDerWaalsContact C-N 3.35Å; F19-E21 VanDerWaalsContact C-N 3.3Å; F19-E21 PolarHBondContact O-N 3.33Å; F19-F22 PolarHBondContact O-N 3.38Å; F19-V23 HydrophobicContact CD1-CG1 4.22Å; F19-V23 HydrophobicContact CD1-CG2 4.25Å; F19-V23 HydrophobicContact CD2-CG1 4.47Å; F19-V23 HydrophobicContact CE1-CG1 3.68Å; F19-V23 HydrophobicContact CE1-CG2 4.06Å; F19-V23 HydrophobicContact CE2-CG1 3.96Å; F19-V23 HydrophobicContact CZ-CG1 3.54Å; F19-V23 PolarHBondContact O-N 3.18Å
20	M	81.5	Confident	88.4	Confident	110 Å²	110	94.5 Å²	94.5	54%	0.542	49%	0.486	S	S	.	.	H	α-helix	trans	-61	-37.9	177.9	-160.9	76.8	102.5	0	0	112	I16 S17 I18 F22 V23 V24	I16-M20 PolarHBondContact O-N 3.44Å; S17-M20 PolarHBondContact O-N 3.38Å; I18-M20 VanDerWaalsContact C-N 3.3Å; I18-M20 PolarHBondContact O-N 2.74Å; M20-F22 PolarHBondContact O-N 2.96Å; M20-V23 PolarHBondContact O-N 3.46Å; M20-V24 HydrophobicContact CG-CG2 3.79Å; M20-V24 WeakPolarHBondContact O-CB 3.24Å; M20-V24 WeakPolarHBondContact O-CG2 3.46Å; M20-V24 PolarHBondContact O-N 3.5Å; M20-V24 HydrophobicContact SD-CG2 3.72Å
21	E	79	Confident	88.8	Confident	131 Å²	131	90 Å²	90	61%	0.612	47%	0.473	S	S	*	.	H	α-helix	trans	-63.7	-24.5	175.4	-69.4	-173.3	159.1	0	0	113.1	S17 I18 F19	S17-E21 PolarHBondContact O-N 3.48Å; I18-E21 PolarHBondContact O-N 2.98Å; F19-E21 VanDerWaalsContact C-N 3.3Å; F19-E21 PolarHBondContact O-N 3.33Å
22	F	83.1	Confident	89.2	Confident	169 Å²	169	85.7 Å²	85.7	74%	0.741	45%	0.454	S	S	*	.	H	α-helix	trans	-89	-28.1	179.6	-74.3	-68.4	0	0	0	114.5	I18 F19 M20	I18-F22 HydrophobicContact CG2-CD2 4Å; I18-F22 HydrophobicContact CG2-CE2 3.53Å; I18-F22 WeakPolarHBondContact O-CD2 3.35Å; I18-F22 PolarHBondContact O-N 2.94Å; F19-F22 PolarHBondContact O-N 3.38Å; M20-F22 PolarHBondContact O-N 2.96Å
23	V	90.7	Very high	89.5	Confident	81 Å²	81	86 Å²	86	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-101.5	-21.8	-173.3	-58.4	0	0	0	0	113.7	F19 M20	F19-V23 HydrophobicContact CD1-CG1 4.22Å; F19-V23 HydrophobicContact CD1-CG2 4.25Å; F19-V23 HydrophobicContact CD2-CG1 4.47Å; F19-V23 HydrophobicContact CE1-CG1 3.68Å; F19-V23 HydrophobicContact CE1-CG2 4.06Å; F19-V23 HydrophobicContact CE2-CG1 3.96Å; F19-V23 HydrophobicContact CZ-CG1 3.54Å; F19-V23 PolarHBondContact O-N 3.18Å; M20-V23 PolarHBondContact O-N 3.46Å
24	V	93.6	Very high	89.9	Confident	68 Å²	68	86.9 Å²	86.9	41%	0.412	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-89.8	122.4	-177.6	179	0	0	0	0	110.4	M20	M20-V24 HydrophobicContact CG-CG2 3.79Å; M20-V24 WeakPolarHBondContact O-CB 3.24Å; M20-V24 WeakPolarHBondContact O-CG2 3.46Å; M20-V24 PolarHBondContact O-N 3.5Å; M20-V24 HydrophobicContact SD-CG2 3.72Å
25	C	95.3	Very high	90.2	Very high	69 Å²	69	86.4 Å²	86.4	47%	0.466	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-78.7	120.9	164	-67.7	0	0	0	0	109.4	L29 N30	C25-L29 HydrophobicContact CB-CD2 4.17Å; C25-N30 WeakPolarHBondContact CB-OD1 3.18Å; C25-N30 PolarHBondContact O-ND2 2.95Å
26	H	96.2	Very high	90.1	Very high	72 Å²	72	87.1 Å²	87.1	33%	0.333	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-69.2	161	176.3	-66.1	176.4	0	0	0	112.3	E28 L29 N30 C55	H26-E28 VanDerWaalsContact C-N 3.26Å; H26-E28 WeakPolarHBondContact CB-OE2 3.3Å; H26-E28 PolarHBondContact O-N 3.17Å; H26-L29 PolarHBondContact O-N 2.91Å; H26-N30 PolarHBondContact O-N 2.85Å; H26-N30 VanDerWaalsContact O-N 3.07Å; H26-N30 PolarHBondContact O-ND2 3.49Å; H26-C55 PolarHBondContact ND1-SG 3.44Å; H26-C55 VanDerWaalsContact ND1-SG 3.45Å
27	A	97.5	Very high	90	Very high	66 Å²	66	89.2 Å²	89.2	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-58.7	-37.4	-177.4	0	0	0	0	0	112.5	N30 A31	A27-N30 PolarHBondContact O-N 3.08Å; A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 3.24Å
28	E	97.6	Very high	90	Very high	16 Å²	16	89.5 Å²	89.5	8%	0.075	48%	0.478	C	S	.	.	H	α-helix	trans	-66.2	-42.7	-179.7	-56	92.3	146.1	0	0	111.7	H26 A31 V32 L45 P51 C55 I59	H26-E28 VanDerWaalsContact C-N 3.26Å; H26-E28 WeakPolarHBondContact CB-OE2 3.3Å; H26-E28 PolarHBondContact O-N 3.17Å; E28-A31 PolarHBondContact O-N 3.36Å; E28-V32 WeakPolarHBondContact O-CG2 3.26Å; E28-V32 PolarHBondContact O-N 2.91Å; E28-L45 HydrophobicContact CB-CD2 4.23Å; E28-L45 HydrophobicContact CG-CD2 4.08Å; E28-P51 HydrophobicContact CG-CB 4.31Å; E28-P51 HydrophobicContact CG-CG 4.24Å; E28-P51 VanDerWaalsContact OE1-CA 3.32Å; E28-P51 WeakPolarHBondContact OE1-CA 3.15Å; E28-C55 HydrophobicContact CB-CB 3.99Å; E28-C55 HydrophobicContact CG-CB 4.33Å; E28-I59 HydrophobicContact CB-CD1 4.18Å; E28-I59 HydrophobicContact CG-CD1 4.28Å
29	L	96.2	Very high	90.1	Very high	47 Å²	47	92.6 Å²	92.6	25%	0.246	49%	0.49	C	S	.	.	H	α-helix	trans	-62.5	-47.6	174.5	175.5	60.7	0	0	0	110	C25 H26 A31 V32 L33 V58	C25-L29 HydrophobicContact CB-CD2 4.17Å; H26-L29 PolarHBondContact O-N 2.91Å; L29-A31 VanDerWaalsContact C-N 3.29Å; L29-A31 PolarHBondContact O-N 3.25Å; L29-V32 PolarHBondContact O-N 2.96Å; L29-L33 HydrophobicContact CD1-CD1 3.86Å; L29-L33 HydrophobicContact CD1-CG 3.97Å; L29-L33 HydrophobicContact CG-CD1 3.85Å; L29-L33 HydrophobicContact CG-CG 4.34Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 3.38Å; L29-V58 HydrophobicContact CD1-CG1 3.92Å; L29-V58 HydrophobicContact CD1-CG2 4.17Å
30	N	96.5	Very high	89.9	Confident	63 Å²	63	86.8 Å²	86.8	34%	0.337	47%	0.466	S	S	.	.	H	α-helix	trans	-61.9	-36.9	178.5	-69.9	-24.8	0	0	0	112.3	C25 H26 A27 L33 N34	C25-N30 WeakPolarHBondContact CB-OD1 3.18Å; C25-N30 PolarHBondContact O-ND2 2.95Å; H26-N30 PolarHBondContact O-N 2.85Å; H26-N30 VanDerWaalsContact O-N 3.07Å; H26-N30 PolarHBondContact O-ND2 3.49Å; A27-N30 PolarHBondContact O-N 3.08Å; N30-L33 PolarHBondContact O-N 3.23Å; N30-N34 VanDerWaalsContact O-CB 3.3Å; N30-N34 WeakPolarHBondContact O-CB 3.41Å; N30-N34 PolarHBondContact O-N 3.28Å; N30-N34 PolarHBondContact O-ND2 2.98Å
31	A	95.9	Very high	90.3	Very high	48 Å²	48	84.1 Å²	84.1	40%	0.397	47%	0.467	S	S	.	.	H	α-helix	trans	-64.9	-41.7	176.3	0	0	0	0	0	111.7	A27 E28 L29 R35 L45	A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 3.24Å; E28-A31 PolarHBondContact O-N 3.36Å; L29-A31 VanDerWaalsContact C-N 3.29Å; L29-A31 PolarHBondContact O-N 3.25Å; A31-R35 PolarHBondContact O-N 3.03Å; A31-L45 HydrophobicContact CB-CD1 4.2Å
32	V	95.3	Very high	91	Very high	12 Å²	12	80.4 Å²	80.4	7%	0.073	46%	0.464	C	S	.	.	H	α-helix	trans	-66.6	-43	175.4	171.2	0	0	0	0	110.8	E28 L29 R35 V58 A62 I64	E28-V32 WeakPolarHBondContact O-CG2 3.26Å; E28-V32 PolarHBondContact O-N 2.91Å; L29-V32 PolarHBondContact O-N 2.96Å; V32-R35 WeakPolarHBondContact O-CD 3.43Å; V32-R35 VanDerWaalsContact O-CG 3.28Å; V32-R35 WeakPolarHBondContact O-CG 3.36Å; V32-R35 PolarHBondContact O-NH1 2.74Å; V32-V58 HydrophobicContact CB-CG1 4.04Å; V32-V58 HydrophobicContact CG1-CG1 3.92Å; V32-V58 HydrophobicContact CG2-CG1 4.1Å; V32-A62 HydrophobicContact CB-CB 4.48Å; V32-A62 HydrophobicContact CG1-CB 3.65Å; V32-A62 HydrophobicContact CG2-CB 3.94Å; V32-I64 HydrophobicContact CG2-CD1 3.97Å
33	L	94.9	Very high	91.6	Very high	111 Å²	111	75 Å²	75	58%	0.581	45%	0.447	S	S	*	.	H	α-helix	trans	-71	-35.9	-177.5	-68.1	176.7	0	0	0	113.4	L29 N30	L29-L33 HydrophobicContact CD1-CD1 3.86Å; L29-L33 HydrophobicContact CD1-CG 3.97Å; L29-L33 HydrophobicContact CG-CD1 3.85Å; L29-L33 HydrophobicContact CG-CG 4.34Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 3.38Å; N30-L33 PolarHBondContact O-N 3.23Å
34	N	94.5	Very high	91.9	Very high	121 Å²	121	73.9 Å²	73.9	65%	0.647	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	19.4	-175.9	-63.8	-58.6	0	0	0	113.8	N30	N30-N34 VanDerWaalsContact O-CB 3.3Å; N30-N34 WeakPolarHBondContact O-CB 3.41Å; N30-N34 PolarHBondContact O-N 3.28Å; N30-N34 PolarHBondContact O-ND2 2.98Å
35	R	90.6	Very high	92.1	Very high	101 Å²	101	71.7 Å²	71.7	38%	0.381	43%	0.426	S	S	.	.			trans	-67.2	143.6	174.9	67.7	-176.9	-170.5	-84.3	0.8	110.4	A31 V32 E37 A38	A31-R35 PolarHBondContact O-N 3.03Å; V32-R35 WeakPolarHBondContact O-CD 3.43Å; V32-R35 VanDerWaalsContact O-CG 3.28Å; V32-R35 WeakPolarHBondContact O-CG 3.36Å; V32-R35 PolarHBondContact O-NH1 2.74Å; R35-E37 VanDerWaalsContact C-N 3.33Å; R35-E37 WeakPolarHBondContact CD-O 3.42Å; R35-E37 VanDerWaalsContact CG-O 3.32Å; R35-E37 WeakPolarHBondContact CG-O 3.34Å; R35-E37 PolarHBondContact NE-O 3.31Å; R35-E37 VanDerWaalsContact NE-O 3.11Å; R35-A38 PolarHBondContact NE-O 2.85Å; R35-A38 PolarHBondContact NH2-O 3.21Å
36	N	82.7	Confident	92.2	Very high	173 Å²	173	74.8 Å²	74.8	93%	0.925	43%	0.432	S	S	*	.	S	Bend	trans	-78.5	-18.9	177.8	-72.4	-13.5	0	0	0	113.1
37	E	82.2	Confident	92.3	Very high	138 Å²	138	72.3 Å²	72.3	65%	0.645	42%	0.422	S	S	*	.	S	Bend	trans	-96.3	152.6	-178.7	-65.4	-171.8	-171.4	0	0	112.3	R35 H39	R35-E37 VanDerWaalsContact C-N 3.33Å; R35-E37 WeakPolarHBondContact CD-O 3.42Å; R35-E37 VanDerWaalsContact CG-O 3.32Å; R35-E37 WeakPolarHBondContact CG-O 3.34Å; R35-E37 PolarHBondContact NE-O 3.31Å; R35-E37 VanDerWaalsContact NE-O 3.11Å; E37-H39 PolarHBondContact O-N 2.62Å; E37-H39 VanDerWaalsContact O-N 3.14Å
38	A	79.9	Confident	92.3	Very high	73 Å²	73	74.2 Å²	74.2	60%	0.603	43%	0.427	S	S	*	.	S	Bend	trans	-57.2	-32.2	176.6	0	0	0	0	0	112.3	R35	R35-A38 PolarHBondContact NE-O 2.85Å; R35-A38 PolarHBondContact NH2-O 3.21Å
39	H	81.6	Confident	92.3	Very high	141 Å²	141	78.1 Å²	78.1	65%	0.653	45%	0.446	S	S	*	.			trans	-140.3	146.6	-176.3	-54.1	-63.4	0	0	0	111.1	E37	E37-H39 PolarHBondContact O-N 2.62Å; E37-H39 VanDerWaalsContact O-N 3.14Å
40	S	83.9	Confident	92.4	Very high	12 Å²	12	76.8 Å²	76.8	8%	0.084	44%	0.438	C	S	.	.			trans	-102.3	28.6	172.1	43.9	0	0	0	0	112	G42 C43 A62 G63	S40-G42 PolarHBondContact O-N 3.36Å; S40-C43 PolarHBondContact O-N 2.71Å; S40-A62 CarbonylContact C-O 3.4Å; S40-A62 VanDerWaalsContact OG-CB 3.31Å; S40-A62 WeakPolarHBondContact OG-CB 3.44Å; S40-A62 PolarHBondContact OG-O 3.45Å; S40-G63 CarbonylContact O-C 3.47Å
41	G	89.8	Confident	92.5	Very high	54 Å²	54	73.8 Å²	73.8	56%	0.557	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	121.1	-177.5	0	0	0	0	0	111.3	C43 G63	G41-C43 VanDerWaalsContact C-N 3.31Å; G41-C43 PolarHBondContact O-N 3.48Å; G41-G63 WeakPolarHBondContact CA-O 3.36Å
42	G	92.2	Very high	92.5	Very high	54 Å²	54	72.8 Å²	72.8	56%	0.557	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-1.3	179.3	0	0	0	0	0	115.1	S40 G63	S40-G42 PolarHBondContact O-N 3.36Å; G42-G63 PolarHBondContact N-O 2.81Å
43	C	95.8	Very high	92.7	Very high	55 Å²	55	74 Å²	74	37%	0.372	42%	0.418	S	S	.	.			trans	-72.4	163.4	178.6	-59.9	0	0	0	0	112.7	S40 G41 I64 K65	S40-C43 PolarHBondContact O-N 2.71Å; G41-C43 VanDerWaalsContact C-N 3.31Å; G41-C43 PolarHBondContact O-N 3.48Å; C43-I64 WeakPolarHBondContact O-CG2 3.46Å; C43-K65 PolarHBondContact O-N 2.98Å
44	T	97.3	Very high	92.8	Very high	58 Å²	58	73.3 Å²	73.3	36%	0.356	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.1	168.5	-60.5	0	0	0	0	109.9	F46 E66 V68	T44-F46 HydrophobicContact CG2-CD2 4Å; T44-F46 HydrophobicContact CG2-CE2 3.53Å; T44-F46 HydrophobicContact CG2-CZ 4.11Å; T44-E66 CarbonylContact C-O 3.59Å; T44-E66 WeakPolarHBondContact CA-O 3.47Å; T44-E66 HydrophobicContact CG2-CB 3.83Å; T44-E66 HydrophobicContact CG2-CG 3.81Å; T44-E66 WeakPolarHBondContact CG2-OE2 3.18Å; T44-E66 PolarHBondContact OG1-OE2 3.43Å; T44-V68 HydrophobicContact CG2-CG2 3.64Å
45	L	97.6	Very high	92.9	Very high	21 Å²	21	67.9 Å²	67.9	11%	0.11	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.3	173.8	-179.8	66.3	0	0	0	110.7	E28 A31 I59 I64 E66 V67 V68	E28-L45 HydrophobicContact CB-CD2 4.23Å; E28-L45 HydrophobicContact CG-CD2 4.08Å; A31-L45 HydrophobicContact CB-CD1 4.2Å; L45-I59 HydrophobicContact CD2-CD1 3.63Å; L45-I59 HydrophobicContact CD2-CG1 3.85Å; L45-I64 HydrophobicContact CB-CD1 4.34Å; L45-I64 HydrophobicContact CB-CG2 3.98Å; L45-E66 PolarHBondContact N-O 2.87Å; L45-V67 CarbonylContact O-C 3.56Å; L45-V67 WeakPolarHBondContact O-CA 3.32Å; L45-V68 PolarHBondContact O-N 3.41Å
46	F	98.2	Very high	93.3	Very high	134 Å²	134	63.1 Å²	63.1	59%	0.588	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.6	169.7	-71.7	-101	0	0	0	109.9	T44 V68	T44-F46 HydrophobicContact CG2-CD2 4Å; T44-F46 HydrophobicContact CG2-CE2 3.53Å; T44-F46 HydrophobicContact CG2-CZ 4.11Å; F46-V68 CarbonylContact C-O 3.59Å; F46-V68 WeakPolarHBondContact CA-O 3.31Å; F46-V68 HydrophobicContact CD1-CB 3.62Å; F46-V68 HydrophobicContact CD1-CG1 3.73Å; F46-V68 HydrophobicContact CD1-CG2 4.24Å; F46-V68 HydrophobicContact CE1-CB 3.7Å; F46-V68 HydrophobicContact CE1-CG1 3.65Å; F46-V68 HydrophobicContact CE1-CG2 3.87Å; F46-V68 HydrophobicContact CE2-CG2 4.47Å; F46-V68 HydrophobicContact CG-CB 4.16Å; F46-V68 HydrophobicContact CZ-CB 4.29Å; F46-V68 HydrophobicContact CZ-CG2 3.99Å
47	T	98.2	Very high	94	Very high	20 Å²	20	59.3 Å²	59.3	12%	0.123	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.8	-178.6	-179	0	0	0	0	112.2	M49 P51 V67 V68 Y69 Y70	T47-M49 WeakPolarHBondContact CG2-O 3.43Å; T47-M49 PolarHBondContact OG1-N 3.48Å; T47-M49 PolarHBondContact OG1-O 3.31Å; T47-P51 HydrophobicContact CG2-CG 4.29Å; T47-V67 HydrophobicContact CG2-CG1 4.04Å; T47-V68 PolarHBondContact N-O 3.16Å; T47-Y69 CarbonylContact O-C 3.59Å; T47-Y69 WeakPolarHBondContact O-CA 3.43Å; T47-Y70 PolarHBondContact O-N 3.41Å
48	T	97.5	Very high	94.8	Very high	107 Å²	107	54.9 Å²	54.9	66%	0.656	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	-28.7	178.5	57.4	0	0	0	0	112.4	Y70 S71	T48-Y70 WeakPolarHBondContact O-CB 3.22Å; T48-S71 WeakPolarHBondContact O-CB 3.24Å; T48-S71 PolarHBondContact O-N 3.28Å; T48-S71 VanDerWaalsContact O-N 3.08Å
49	M	97.4	Very high	95.6	Very high	98 Å²	98	51.4 Å²	51.4	48%	0.483	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.3	175.6	-69.3	-151.9	-60.9	0	0	111.2	T47 S71	T47-M49 WeakPolarHBondContact CG2-O 3.43Å; T47-M49 PolarHBondContact OG1-N 3.48Å; T47-M49 PolarHBondContact OG1-O 3.31Å; M49-S71 CarbonylContact C-O 3.55Å; M49-S71 WeakPolarHBondContact CA-O 3.33Å
50	F	98.5	Very high	96.4	Very high	18 Å²	18	46.4 Å²	46.4	8%	0.079	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-58.3	131.6	173.9	-168.8	-86.4	0	0	0	110.5	Y69 S71 D72 N80 A83 K84 F87 I94	F50-Y69 HydrophobicContact CB-CD2 4.23Å; F50-Y69 HydrophobicContact CB-CG 4.37Å; F50-Y69 AromaticContact CD2-CD1 3.57Å; F50-Y69 HydrophobicContact CD2-CD1 3.57Å; F50-Y69 AromaticContact CD2-CD2 3.91Å; F50-Y69 HydrophobicContact CD2-CD2 3.91Å; F50-Y69 AromaticContact CD2-CE1 3.71Å; F50-Y69 HydrophobicContact CD2-CE1 3.71Å; F50-Y69 HydrophobicContact CD2-CE2 4.04Å; F50-Y69 AromaticContact CD2-CG 3.67Å; F50-Y69 HydrophobicContact CD2-CG 3.67Å; F50-Y69 AromaticContact CD2-CZ 3.93Å; F50-Y69 AromaticContact CE2-CD1 3.97Å; F50-Y69 HydrophobicContact CE2-CD1 3.97Å; F50-Y69 AromaticContact CE2-CE1 3.86Å; F50-Y69 HydrophobicContact CE2-CE1 3.86Å; F50-S71 PolarHBondContact N-O 3.3Å; F50-D72 HydrophobicContact CB-CB 4.08Å; F50-N80 VanDerWaalsContact CD1-ND2 3.27Å; F50-N80 WeakPolarHBondContact CD1-ND2 3.4Å; F50-A83 HydrophobicContact CE1-CB 3.8Å; F50-K84 HydrophobicContact CE1-CG 3.95Å; F50-K84 HydrophobicContact CE2-CG 4.4Å; F50-K84 HydrophobicContact CZ-CD 4.49Å; F50-K84 HydrophobicContact CZ-CG 3.56Å; F50-F87 HydrophobicContact CE1-CD2 4.5Å; F50-F87 HydrophobicContact CE1-CE2 4.19Å; F50-F87 AromaticContact CZ-CD2 3.94Å; F50-F87 HydrophobicContact CZ-CD2 3.94Å; F50-F87 AromaticContact CZ-CE2 3.93Å; F50-F87 HydrophobicContact CZ-CE2 3.93Å; F50-I94 HydrophobicContact CE2-CB 4.42Å; F50-I94 HydrophobicContact CE2-CD1 4.15Å; F50-I94 HydrophobicContact CE2-CG2 4.37Å; F50-I94 HydrophobicContact CZ-CD1 4.29Å
51	P	98.3	Very high	97	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-62.9	143.2	-175.6	-22.5	33.3	0	0	0	113.4	E28 T47 C55 I59 V67 A83 F87	E28-P51 HydrophobicContact CG-CB 4.31Å; E28-P51 HydrophobicContact CG-CG 4.24Å; E28-P51 VanDerWaalsContact OE1-CA 3.32Å; E28-P51 WeakPolarHBondContact OE1-CA 3.15Å; T47-P51 HydrophobicContact CG2-CG 4.29Å; P51-C55 HydrophobicContact CB-CB 3.99Å; P51-I59 HydrophobicContact CB-CD1 3.83Å; P51-I59 HydrophobicContact CG-CD1 3.74Å; P51-V67 HydrophobicContact CG-CG1 3.87Å; P51-A83 WeakPolarHBondContact O-CB 3.44Å; P51-F87 HydrophobicContact CB-CE2 4.34Å; P51-F87 HydrophobicContact CB-CZ 4.12Å; P51-F87 HydrophobicContact CG-CE2 4.29Å; P51-F87 HydrophobicContact CG-CZ 4.08Å
52	C	97	Very high	97.3	Very high	26 Å²	26	52 Å²	52	18%	0.176	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-70.6	168.9	168.6	73.8	0	0	0	0	111.4	E54 C55 A56 S79	C52-E54 VanDerWaalsContact C-N 3.31Å; C52-E54 PolarHBondContact O-N 2.91Å; C52-C55 PolarHBondContact O-N 2.94Å; C52-C55 PolarHBondContact SG-N 2.93Å; C52-C55 VanDerWaalsContact SG-SG 3.61Å; C52-A56 PolarHBondContact O-N 3.46Å; C52-S79 WeakPolarHBondContact CB-OG 3.22Å
53	N	97.5	Very high	97.5	Very high	38 Å²	38	50.5 Å²	50.5	20%	0.203	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-35.5	-179.7	61	-67.5	0	0	0	113.9	A56 K57 S79 A82	N53-A56 PolarHBondContact O-N 3.45Å; N53-K57 WeakPolarHBondContact O-CG 3.27Å; N53-K57 PolarHBondContact O-N 3.33Å; N53-S79 PolarHBondContact N-OG 3.46Å; N53-S79 WeakPolarHBondContact OD1-CB 3.35Å; N53-S79 PolarHBondContact OD1-OG 3.23Å; N53-A82 HydrophobicContact CB-CB 3.89Å
54	E	97	Very high	97.6	Very high	97 Å²	97	48.3 Å²	48.3	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-70.3	-42.7	177.1	-62.4	-51.3	132.5	0	0	111.5	C52 A56 K57 V58	C52-E54 VanDerWaalsContact C-N 3.31Å; C52-E54 PolarHBondContact O-N 2.91Å; E54-A56 VanDerWaalsContact C-N 3.3Å; E54-A56 PolarHBondContact O-N 2.87Å; E54-K57 WeakPolarHBondContact O-CB 3.45Å; E54-K57 PolarHBondContact O-N 3.29Å; E54-K57 IonicContact OE1-NZ 2.71Å; E54-K57 PolarHBondContact OE1-NZ 2.85Å; E54-K57 WeakPolarHBondContact OE2-CD 3.35Å; E54-K57 IonicContact OE2-NZ 2.81Å; E54-K57 PolarHBondContact OE2-NZ 2.9Å; E54-V58 PolarHBondContact O-N 2.78Å
55	C	97.9	Very high	97.6	Very high	7 Å²	7	50.7 Å²	50.7	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-36.8	172.6	-69.7	0	0	0	0	111.8	H26 E28 P51 C52 K57 V58 I59	H26-C55 PolarHBondContact ND1-SG 3.44Å; H26-C55 VanDerWaalsContact ND1-SG 3.45Å; E28-C55 HydrophobicContact CB-CB 3.99Å; E28-C55 HydrophobicContact CG-CB 4.33Å; P51-C55 HydrophobicContact CB-CB 3.99Å; C52-C55 PolarHBondContact O-N 2.94Å; C52-C55 PolarHBondContact SG-N 2.93Å; C52-C55 VanDerWaalsContact SG-SG 3.61Å; C55-K57 VanDerWaalsContact C-N 3.33Å; C55-K57 PolarHBondContact O-N 3.21Å; C55-V58 PolarHBondContact O-N 2.98Å; C55-V58 VanDerWaalsContact O-N 3.16Å; C55-I59 HydrophobicContact CB-CD1 4.5Å; C55-I59 WeakPolarHBondContact O-CB 3.38Å; C55-I59 WeakPolarHBondContact O-CD1 3.49Å; C55-I59 WeakPolarHBondContact O-CG1 3.39Å; C55-I59 PolarHBondContact O-N 2.91Å
56	A	98.5	Very high	97.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-43.1	176.3	0	0	0	0	0	112.1	C52 N53 E54 V58 I59 I60 A83 L86 F87	C52-A56 PolarHBondContact O-N 3.46Å; N53-A56 PolarHBondContact O-N 3.45Å; E54-A56 VanDerWaalsContact C-N 3.3Å; E54-A56 PolarHBondContact O-N 2.87Å; A56-V58 VanDerWaalsContact C-N 3.35Å; A56-V58 PolarHBondContact O-N 3.24Å; A56-I59 PolarHBondContact O-N 2.81Å; A56-I60 WeakPolarHBondContact O-CB 3.46Å; A56-I60 WeakPolarHBondContact O-CD1 3.48Å; A56-I60 VanDerWaalsContact O-CG1 3.22Å; A56-I60 WeakPolarHBondContact O-CG1 3.47Å; A56-I60 PolarHBondContact O-N 2.78Å; A56-A83 HydrophobicContact CB-CB 3.96Å; A56-L86 HydrophobicContact CB-CB 4.45Å; A56-L86 HydrophobicContact CB-CD1 4.21Å; A56-F87 HydrophobicContact CB-CD1 4.39Å; A56-F87 HydrophobicContact CB-CD2 4.5Å; A56-F87 HydrophobicContact CB-CE1 3.77Å; A56-F87 HydrophobicContact CB-CE2 3.9Å; A56-F87 HydrophobicContact CB-CZ 3.5Å; A56-F87 VanDerWaalsContact CB-CZ 3.5Å
57	K	98.3	Very high	97.7	Very high	93 Å²	93	45.2 Å²	45.2	40%	0.404	24%	0.236	S	C	.	.	H	α-helix	trans	-57.9	-48	174	-64.3	168.5	-170.2	169.4	0	111	N53 E54 C55 I59 I60 Q61 L86	N53-K57 WeakPolarHBondContact O-CG 3.27Å; N53-K57 PolarHBondContact O-N 3.33Å; E54-K57 WeakPolarHBondContact O-CB 3.45Å; E54-K57 PolarHBondContact O-N 3.29Å; E54-K57 IonicContact OE1-NZ 2.71Å; E54-K57 PolarHBondContact OE1-NZ 2.85Å; E54-K57 WeakPolarHBondContact OE2-CD 3.35Å; E54-K57 IonicContact OE2-NZ 2.81Å; E54-K57 PolarHBondContact OE2-NZ 2.9Å; C55-K57 VanDerWaalsContact C-N 3.33Å; C55-K57 PolarHBondContact O-N 3.21Å; K57-I59 PolarHBondContact O-N 2.94Å; K57-I60 PolarHBondContact O-N 2.95Å; K57-Q61 WeakPolarHBondContact O-CB 3.28Å; K57-Q61 VanDerWaalsContact O-CG 3.29Å; K57-Q61 WeakPolarHBondContact O-CG 3.37Å; K57-Q61 PolarHBondContact O-N 3.45Å; K57-L86 HydrophobicContact CG-CD1 4.04Å
58	V	97.5	Very high	97.7	Very high	46 Å²	46	44.3 Å²	44.3	28%	0.279	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-46.3	-179.8	178.9	0	0	0	0	111	L29 V32 E54 C55 A56 I60 Q61 A62	L29-V58 HydrophobicContact CD1-CG1 3.92Å; L29-V58 HydrophobicContact CD1-CG2 4.17Å; V32-V58 HydrophobicContact CB-CG1 4.04Å; V32-V58 HydrophobicContact CG1-CG1 3.92Å; V32-V58 HydrophobicContact CG2-CG1 4.1Å; E54-V58 PolarHBondContact O-N 2.78Å; C55-V58 PolarHBondContact O-N 2.98Å; C55-V58 VanDerWaalsContact O-N 3.16Å; A56-V58 VanDerWaalsContact C-N 3.35Å; A56-V58 PolarHBondContact O-N 3.24Å; V58-I60 PolarHBondContact O-N 3.08Å; V58-Q61 PolarHBondContact O-N 3.34Å; V58-A62 WeakPolarHBondContact O-CB 3.44Å; V58-A62 PolarHBondContact O-N 3Å
59	I	97.9	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-47.2	178.9	-69.5	162.5	0	0	0	111	E28 L45 P51 C55 A56 K57 A62 G63 I64 V67 F87	E28-I59 HydrophobicContact CB-CD1 4.18Å; E28-I59 HydrophobicContact CG-CD1 4.28Å; L45-I59 HydrophobicContact CD2-CD1 3.63Å; L45-I59 HydrophobicContact CD2-CG1 3.85Å; P51-I59 HydrophobicContact CB-CD1 3.83Å; P51-I59 HydrophobicContact CG-CD1 3.74Å; C55-I59 HydrophobicContact CB-CD1 4.5Å; C55-I59 WeakPolarHBondContact O-CB 3.38Å; C55-I59 WeakPolarHBondContact O-CD1 3.49Å; C55-I59 WeakPolarHBondContact O-CG1 3.39Å; C55-I59 PolarHBondContact O-N 2.91Å; A56-I59 PolarHBondContact O-N 2.81Å; K57-I59 PolarHBondContact O-N 2.94Å; I59-A62 PolarHBondContact O-N 3.3Å; I59-G63 PolarHBondContact O-N 3.39Å; I59-I64 HydrophobicContact CG2-CB 3.76Å; I59-I64 HydrophobicContact CG2-CD1 4.15Å; I59-I64 HydrophobicContact CG2-CG2 3.81Å; I59-I64 PolarHBondContact O-N 2.98Å; I59-V67 HydrophobicContact CD1-CG2 4.41Å; I59-V67 HydrophobicContact CG2-CG2 3.9Å; I59-F87 HydrophobicContact CB-CE1 4.1Å; I59-F87 HydrophobicContact CD1-CE1 4.28Å; I59-F87 HydrophobicContact CD1-CZ 3.93Å; I59-F87 HydrophobicContact CG2-CE1 3.83Å; I59-F87 HydrophobicContact CG2-CZ 4.49Å
60	I	97.9	Very high	97.8	Very high	35 Å²	35	42.4 Å²	42.4	18%	0.179	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-50	178.7	-70.4	162.9	0	0	0	110.4	A56 K57 V58 A62 G63 L86 F87 A90 V92	A56-I60 WeakPolarHBondContact O-CB 3.46Å; A56-I60 WeakPolarHBondContact O-CD1 3.48Å; A56-I60 VanDerWaalsContact O-CG1 3.22Å; A56-I60 WeakPolarHBondContact O-CG1 3.47Å; A56-I60 PolarHBondContact O-N 2.78Å; K57-I60 PolarHBondContact O-N 2.95Å; V58-I60 PolarHBondContact O-N 3.08Å; I60-A62 PolarHBondContact O-N 2.82Å; I60-G63 PolarHBondContact O-N 2.93Å; I60-L86 HydrophobicContact CD1-CB 3.81Å; I60-F87 HydrophobicContact CD1-CD1 4.18Å; I60-F87 HydrophobicContact CG1-CD1 4.11Å; I60-F87 HydrophobicContact CG1-CE1 4.37Å; I60-A90 HydrophobicContact CB-CB 4.35Å; I60-A90 HydrophobicContact CD1-CB 3.73Å; I60-A90 HydrophobicContact CG1-CB 3.76Å; I60-A90 HydrophobicContact CG2-CB 3.63Å; I60-V92 HydrophobicContact CG1-CG2 3.95Å
61	Q	96.7	Very high	97.7	Very high	165 Å²	165	42.7 Å²	42.7	77%	0.771	21%	0.211	S	C	*	.	H	α-helix	trans	-68.1	-24.1	-178.9	-64.8	-53.1	106.7	0	0	112.8	K57 V58 G63	K57-Q61 WeakPolarHBondContact O-CB 3.28Å; K57-Q61 VanDerWaalsContact O-CG 3.29Å; K57-Q61 WeakPolarHBondContact O-CG 3.37Å; K57-Q61 PolarHBondContact O-N 3.45Å; V58-Q61 PolarHBondContact O-N 3.34Å; Q61-G63 PolarHBondContact O-N 2.98Å
62	A	96	Very high	97.7	Very high	20 Å²	20	44.2 Å²	44.2	17%	0.165	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.5	173.4	0	0	0	0	0	113.1	V32 S40 V58 I59 I60 I64	V32-A62 HydrophobicContact CB-CB 4.48Å; V32-A62 HydrophobicContact CG1-CB 3.65Å; V32-A62 HydrophobicContact CG2-CB 3.94Å; S40-A62 CarbonylContact C-O 3.4Å; S40-A62 VanDerWaalsContact OG-CB 3.31Å; S40-A62 WeakPolarHBondContact OG-CB 3.44Å; S40-A62 PolarHBondContact OG-O 3.45Å; V58-A62 WeakPolarHBondContact O-CB 3.44Å; V58-A62 PolarHBondContact O-N 3Å; I59-A62 PolarHBondContact O-N 3.3Å; I60-A62 PolarHBondContact O-N 2.82Å; A62-I64 HydrophobicContact CB-CD1 4.38Å; A62-I64 HydrophobicContact CB-CG1 4.49Å
63	G	96.2	Very high	97.6	Very high	21 Å²	21	51.7 Å²	51.7	22%	0.216	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	10.8	176.9	0	0	0	0	0	115.2	S40 G41 G42 I59 I60 Q61	S40-G63 CarbonylContact O-C 3.47Å; G41-G63 WeakPolarHBondContact CA-O 3.36Å; G42-G63 PolarHBondContact N-O 2.81Å; I59-G63 PolarHBondContact O-N 3.39Å; I60-G63 PolarHBondContact O-N 2.93Å; Q61-G63 PolarHBondContact O-N 2.98Å
64	I	97.3	Very high	97.4	Very high	9 Å²	9	56.3 Å²	56.3	5%	0.046	27%	0.267	C	S	.	.			trans	-64.8	138	176	-67	167.3	0	0	0	109.2	V32 C43 L45 I59 A62 E66 V92	V32-I64 HydrophobicContact CG2-CD1 3.97Å; C43-I64 WeakPolarHBondContact O-CG2 3.46Å; L45-I64 HydrophobicContact CB-CD1 4.34Å; L45-I64 HydrophobicContact CB-CG2 3.98Å; I59-I64 HydrophobicContact CG2-CB 3.76Å; I59-I64 HydrophobicContact CG2-CD1 4.15Å; I59-I64 HydrophobicContact CG2-CG2 3.81Å; I59-I64 PolarHBondContact O-N 2.98Å; A62-I64 HydrophobicContact CB-CD1 4.38Å; A62-I64 HydrophobicContact CB-CG1 4.49Å; I64-E66 WeakPolarHBondContact CG2-O 3.31Å; I64-V92 WeakPolarHBondContact O-CG2 3.2Å
65	K	98	Very high	97.3	Very high	109 Å²	109	56.5 Å²	56.5	47%	0.474	27%	0.271	S	S	.	.			trans	-111.7	-13.3	-172.7	-66.5	-58.4	-174	-179.8	0	114.9	C43 S93	C43-K65 PolarHBondContact O-N 2.98Å; K65-S93 PolarHBondContact O-N 3.35Å; K65-S93 PolarHBondContact O-OG 3.37Å
66	E	98.6	Very high	97.3	Very high	40 Å²	40	58.2 Å²	58.2	19%	0.187	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.9	173.5	-177.5	-175.4	-164.4	0	0	110.8	T44 L45 I64 V68 S93 R95	T44-E66 CarbonylContact C-O 3.59Å; T44-E66 WeakPolarHBondContact CA-O 3.47Å; T44-E66 HydrophobicContact CG2-CB 3.83Å; T44-E66 HydrophobicContact CG2-CG 3.81Å; T44-E66 WeakPolarHBondContact CG2-OE2 3.18Å; T44-E66 PolarHBondContact OG1-OE2 3.43Å; L45-E66 PolarHBondContact N-O 2.87Å; I64-E66 WeakPolarHBondContact CG2-O 3.31Å; E66-V68 HydrophobicContact CG-CG2 3.97Å; E66-S93 CarbonylContact C-O 3.51Å; E66-S93 VanDerWaalsContact CA-O 3.31Å; E66-S93 WeakPolarHBondContact CA-O 3.31Å; E66-S93 VanDerWaalsContact CA-OG 3.32Å; E66-S93 WeakPolarHBondContact CA-OG 3.46Å; E66-S93 WeakPolarHBondContact CB-OG 3.34Å; E66-S93 VanDerWaalsContact CG-OG 3.31Å; E66-S93 WeakPolarHBondContact CG-OG 3.46Å; E66-R95 IonicContact OE1-CZ 3.31Å; E66-R95 VanDerWaalsContact OE1-CZ 3.31Å; E66-R95 IonicContact OE1-NE 2.9Å; E66-R95 PolarHBondContact OE1-NE 3.5Å; E66-R95 IonicContact OE1-NH2 2.85Å; E66-R95 PolarHBondContact OE1-NH2 3.46Å; E66-R95 IonicContact OE2-NH2 3.99Å
67	V	98.7	Very high	97.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.7	167.9	179.8	0	0	0	0	109.1	L45 T47 P51 I59 F87 V92 S93 I94 R95	L45-V67 CarbonylContact O-C 3.56Å; L45-V67 WeakPolarHBondContact O-CA 3.32Å; T47-V67 HydrophobicContact CG2-CG1 4.04Å; P51-V67 HydrophobicContact CG-CG1 3.87Å; I59-V67 HydrophobicContact CD1-CG2 4.41Å; I59-V67 HydrophobicContact CG2-CG2 3.9Å; V67-F87 HydrophobicContact CG2-CE1 4.1Å; V67-F87 HydrophobicContact CG2-CZ 4.06Å; V67-V92 HydrophobicContact CG2-CG1 4.14Å; V67-S93 PolarHBondContact N-O 2.9Å; V67-I94 HydrophobicContact CB-CG2 4.38Å; V67-I94 WeakPolarHBondContact O-CA 3.42Å; V67-R95 PolarHBondContact O-N 3.41Å
68	V	98.7	Very high	97.1	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.9	173.4	-173.4	0	0	0	0	109	T44 L45 F46 T47 E66 R95 F97	T44-V68 HydrophobicContact CG2-CG2 3.64Å; L45-V68 PolarHBondContact O-N 3.41Å; F46-V68 CarbonylContact C-O 3.59Å; F46-V68 WeakPolarHBondContact CA-O 3.31Å; F46-V68 HydrophobicContact CD1-CB 3.62Å; F46-V68 HydrophobicContact CD1-CG1 3.73Å; F46-V68 HydrophobicContact CD1-CG2 4.24Å; F46-V68 HydrophobicContact CE1-CB 3.7Å; F46-V68 HydrophobicContact CE1-CG1 3.65Å; F46-V68 HydrophobicContact CE1-CG2 3.87Å; F46-V68 HydrophobicContact CE2-CG2 4.47Å; F46-V68 HydrophobicContact CG-CB 4.16Å; F46-V68 HydrophobicContact CZ-CB 4.29Å; F46-V68 HydrophobicContact CZ-CG2 3.99Å; T47-V68 PolarHBondContact N-O 3.16Å; E66-V68 HydrophobicContact CG-CG2 3.97Å; V68-R95 CarbonylContact C-O 3.52Å; V68-R95 VanDerWaalsContact CA-O 3.24Å; V68-R95 WeakPolarHBondContact CA-O 3.28Å; V68-F97 HydrophobicContact CG1-CB 3.97Å; V68-F97 HydrophobicContact CG1-CD2 4.18Å
69	Y	98.7	Very high	97.1	Very high	32 Å²	32	64.3 Å²	64.3	13%	0.125	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.1	-174.6	64.8	-86.5	0	0	0	112.1	T47 F50 D72 I94 R95 K96 F97	T47-Y69 CarbonylContact O-C 3.59Å; T47-Y69 WeakPolarHBondContact O-CA 3.43Å; F50-Y69 HydrophobicContact CB-CD2 4.23Å; F50-Y69 HydrophobicContact CB-CG 4.37Å; F50-Y69 AromaticContact CD2-CD1 3.57Å; F50-Y69 HydrophobicContact CD2-CD1 3.57Å; F50-Y69 AromaticContact CD2-CD2 3.91Å; F50-Y69 HydrophobicContact CD2-CD2 3.91Å; F50-Y69 AromaticContact CD2-CE1 3.71Å; F50-Y69 HydrophobicContact CD2-CE1 3.71Å; F50-Y69 HydrophobicContact CD2-CE2 4.04Å; F50-Y69 AromaticContact CD2-CG 3.67Å; F50-Y69 HydrophobicContact CD2-CG 3.67Å; F50-Y69 AromaticContact CD2-CZ 3.93Å; F50-Y69 AromaticContact CE2-CD1 3.97Å; F50-Y69 HydrophobicContact CE2-CD1 3.97Å; F50-Y69 AromaticContact CE2-CE1 3.86Å; F50-Y69 HydrophobicContact CE2-CE1 3.86Å; Y69-D72 HydrophobicContact CD2-CB 4.2Å; Y69-D72 HydrophobicContact CE2-CB 3.79Å; Y69-I94 HydrophobicContact CE1-CB 4.41Å; Y69-R95 VanDerWaalsContact CD1-O 3.22Å; Y69-R95 WeakPolarHBondContact CD1-O 3.37Å; Y69-R95 VanDerWaalsContact CE1-C 3.41Å; Y69-R95 PolarHBondContact N-O 2.92Å; Y69-K96 HydrophobicContact CD2-CG 4.34Å; Y69-K96 HydrophobicContact CE1-CB 4.36Å; Y69-K96 HydrophobicContact CE2-CB 3.86Å; Y69-K96 HydrophobicContact CE2-CD 4.35Å; Y69-K96 HydrophobicContact CE2-CG 3.89Å; Y69-K96 CarbonylContact O-C 3.49Å; Y69-K96 WeakPolarHBondContact O-CA 3.33Å; Y69-F97 PolarHBondContact O-N 2.92Å
70	Y	97.8	Very high	97.1	Very high	133 Å²	133	64.5 Å²	64.5	52%	0.522	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-48.5	177.8	-178.3	-101.2	0	0	0	112.7	T47 T48 F97 P99	T47-Y70 PolarHBondContact O-N 3.41Å; T48-Y70 WeakPolarHBondContact O-CB 3.22Å; Y70-F97 AromaticContact CD2-CD1 3.82Å; Y70-F97 HydrophobicContact CD2-CD1 3.82Å; Y70-F97 HydrophobicContact CE2-CD1 4.31Å; Y70-P99 HydrophobicContact CE2-CG 4.13Å
71	S	97.6	Very high	97.1	Very high	23 Å²	23	68.4 Å²	68.4	16%	0.161	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.1	-172.5	165.7	0	0	0	0	111.9	T48 M49 F50 K73	T48-S71 WeakPolarHBondContact O-CB 3.24Å; T48-S71 PolarHBondContact O-N 3.28Å; T48-S71 VanDerWaalsContact O-N 3.08Å; M49-S71 CarbonylContact C-O 3.55Å; M49-S71 WeakPolarHBondContact CA-O 3.33Å; F50-S71 PolarHBondContact N-O 3.3Å; S71-K73 WeakPolarHBondContact OG-CG 3.36Å
72	D	97.3	Very high	97.2	Very high	34 Å²	34	62.3 Å²	62.3	18%	0.182	32%	0.322	C	S	.	.			trans	-120.8	59.8	173.2	-169.1	9.1	0	0	0	110.2	F50 Y69 K74 N75 N80 K84	F50-D72 HydrophobicContact CB-CB 4.08Å; Y69-D72 HydrophobicContact CD2-CB 4.2Å; Y69-D72 HydrophobicContact CE2-CB 3.79Å; D72-K74 VanDerWaalsContact C-N 3.26Å; D72-K74 PolarHBondContact O-N 3.45Å; D72-N75 HydrophobicContact CB-CB 4.49Å; D72-N75 VanDerWaalsContact O-CB 3.3Å; D72-N75 WeakPolarHBondContact O-CB 3.42Å; D72-N75 PolarHBondContact O-N 3.38Å; D72-N75 PolarHBondContact OD1-N 3.21Å; D72-N80 PolarHBondContact OD1-ND2 3.49Å; D72-K84 WeakPolarHBondContact OD2-CE 3.1Å; D72-K84 IonicContact OD2-NZ 2.78Å; D72-K84 PolarHBondContact OD2-NZ 3.34Å
73	K	95	Very high	97.3	Very high	182 Å²	182	61.4 Å²	61.4	79%	0.791	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.2	-176.8	-85.2	170.5	-176.1	-174.3	0	113.3	S71 N75	S71-K73 WeakPolarHBondContact OG-CG 3.36Å; K73-N75 VanDerWaalsContact C-N 3.28Å
74	K	92.8	Very high	97.4	Very high	135 Å²	135	62.9 Å²	62.9	59%	0.587	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	19.9	178.9	-63.7	-170.7	177	-174.8	0	112	D72 G76 T77 N80	D72-K74 VanDerWaalsContact C-N 3.26Å; D72-K74 PolarHBondContact O-N 3.45Å; K74-G76 PolarHBondContact O-N 3.25Å; K74-T77 HydrophobicContact CB-CG2 4.17Å; K74-T77 WeakPolarHBondContact O-CB 3.04Å; K74-T77 WeakPolarHBondContact O-CG2 3.46Å; K74-T77 PolarHBondContact O-N 3.17Å; K74-T77 PolarHBondContact O-OG1 3.05Å; K74-N80 WeakPolarHBondContact O-CB 3.46Å
75	N	96.7	Very high	97.5	Very high	102 Å²	102	69.1 Å²	69.1	55%	0.545	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	135.3	176.9	-175.6	31	0	0	0	110.8	D72 K73 T77 N80 K84	D72-N75 HydrophobicContact CB-CB 4.49Å; D72-N75 VanDerWaalsContact O-CB 3.3Å; D72-N75 WeakPolarHBondContact O-CB 3.42Å; D72-N75 PolarHBondContact O-N 3.38Å; D72-N75 PolarHBondContact OD1-N 3.21Å; K73-N75 VanDerWaalsContact C-N 3.28Å; N75-T77 VanDerWaalsContact C-N 3.31Å; N75-T77 PolarHBondContact O-N 3.44Å; N75-N80 WeakPolarHBondContact CA-OD1 3.46Å; N75-N80 PolarHBondContact OD1-OD1 3.28Å; N75-K84 PolarHBondContact OD1-NZ 3.43Å
76	G	96.2	Very high	97.5	Very high	43 Å²	43	66.2 Å²	66.2	44%	0.443	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-10.4	178.9	0	0	0	0	0	115.3	K74 N80 Q81	K74-G76 PolarHBondContact O-N 3.25Å; G76-N80 PolarHBondContact N-OD1 3.12Å; G76-Q81 PolarHBondContact O-NE2 2.96Å; G76-Q81 VanDerWaalsContact O-NE2 3.09Å
77	T	96.6	Very high	97.5	Very high	60 Å²	60	64.3 Å²	64.3	37%	0.368	32%	0.319	S	S	.	.	S	Bend	trans	-67.3	155.2	168.2	62	0	0	0	0	111	K74 N75 S79 N80 Q81	K74-T77 HydrophobicContact CB-CG2 4.17Å; K74-T77 WeakPolarHBondContact O-CB 3.04Å; K74-T77 WeakPolarHBondContact O-CG2 3.46Å; K74-T77 PolarHBondContact O-N 3.17Å; K74-T77 PolarHBondContact O-OG1 3.05Å; N75-T77 VanDerWaalsContact C-N 3.31Å; N75-T77 PolarHBondContact O-N 3.44Å; T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 3.3Å; T77-N80 WeakPolarHBondContact O-CB 3.4Å; T77-N80 PolarHBondContact O-N 3.38Å; T77-N80 VanDerWaalsContact OG1-CB 3.3Å; T77-N80 WeakPolarHBondContact OG1-CB 3.18Å; T77-N80 PolarHBondContact OG1-N 3.3Å; T77-Q81 WeakPolarHBondContact O-CG 3.32Å; T77-Q81 PolarHBondContact O-N 3.47Å
78	E	97.7	Very high	97.5	Very high	167 Å²	167	70 Å²	70	78%	0.78	35%	0.349	S	S	*	.	H	α-helix	trans	-57	-43.3	178.5	-64	-177.4	164.5	0	0	112.2	N80 Q81 A82	E78-N80 VanDerWaalsContact C-N 3.3Å; E78-N80 PolarHBondContact O-N 2.94Å; E78-Q81 PolarHBondContact O-N 2.93Å; E78-A82 VanDerWaalsContact O-CB 3.26Å; E78-A82 WeakPolarHBondContact O-CB 3.29Å; E78-A82 PolarHBondContact O-N 3.29Å
79	S	96	Very high	97.5	Very high	39 Å²	39	76.4 Å²	76.4	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-57.9	-42.9	175.6	-178.5	0	0	0	0	111.9	C52 N53 T77 A83	C52-S79 WeakPolarHBondContact CB-OG 3.22Å; N53-S79 PolarHBondContact N-OG 3.46Å; N53-S79 WeakPolarHBondContact OD1-CB 3.35Å; N53-S79 PolarHBondContact OD1-OG 3.23Å; T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 3.3Å; S79-A83 WeakPolarHBondContact O-CB 3.43Å; S79-A83 PolarHBondContact O-N 3.48Å
80	N	97.8	Very high	97.5	Very high	5 Å²	5	76.3 Å²	76.3	3%	0.027	38%	0.383	C	S	.	.	H	α-helix	trans	-68.1	-44.3	178.3	-179.6	-98.3	0	0	0	112.4	F50 D72 K74 N75 G76 T77 E78 A83 K84	F50-N80 VanDerWaalsContact CD1-ND2 3.27Å; F50-N80 WeakPolarHBondContact CD1-ND2 3.4Å; D72-N80 PolarHBondContact OD1-ND2 3.49Å; K74-N80 WeakPolarHBondContact O-CB 3.46Å; N75-N80 WeakPolarHBondContact CA-OD1 3.46Å; N75-N80 PolarHBondContact OD1-OD1 3.28Å; G76-N80 PolarHBondContact N-OD1 3.12Å; T77-N80 WeakPolarHBondContact O-CB 3.4Å; T77-N80 PolarHBondContact O-N 3.38Å; T77-N80 VanDerWaalsContact OG1-CB 3.3Å; T77-N80 WeakPolarHBondContact OG1-CB 3.18Å; T77-N80 PolarHBondContact OG1-N 3.3Å; E78-N80 VanDerWaalsContact C-N 3.3Å; E78-N80 PolarHBondContact O-N 2.94Å; N80-A83 PolarHBondContact O-N 2.82Å; N80-K84 WeakPolarHBondContact O-CG 3.41Å; N80-K84 PolarHBondContact O-N 2.89Å; N80-K84 VanDerWaalsContact OD1-CE 3.23Å; N80-K84 WeakPolarHBondContact OD1-CE 3.35Å; N80-K84 PolarHBondContact OD1-NZ 3.37Å
81	Q	98.5	Very high	97.5	Very high	116 Å²	116	76.5 Å²	76.5	54%	0.542	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-43.1	177.3	-68.1	176.9	1.3	0	0	111.3	G76 T77 E78 K84 Y85	G76-Q81 PolarHBondContact O-NE2 2.96Å; G76-Q81 VanDerWaalsContact O-NE2 3.09Å; T77-Q81 WeakPolarHBondContact O-CG 3.32Å; T77-Q81 PolarHBondContact O-N 3.47Å; E78-Q81 PolarHBondContact O-N 2.93Å; Q81-K84 PolarHBondContact O-N 2.91Å; Q81-Y85 WeakPolarHBondContact O-CB 3.36Å; Q81-Y85 PolarHBondContact O-N 2.71Å
82	A	98.6	Very high	97.6	Very high	38 Å²	38	75.8 Å²	75.8	31%	0.314	39%	0.387	S	S	.	.	H	α-helix	trans	-62.7	-44.1	175.7	0	0	0	0	0	111.7	N53 E78 Y85 L86	N53-A82 HydrophobicContact CB-CB 3.89Å; E78-A82 VanDerWaalsContact O-CB 3.26Å; E78-A82 WeakPolarHBondContact O-CB 3.29Å; E78-A82 PolarHBondContact O-N 3.29Å; A82-Y85 PolarHBondContact O-N 3.31Å; A82-L86 WeakPolarHBondContact O-CB 3.49Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.5Å; A82-L86 PolarHBondContact O-N 3.36Å
83	A	98.6	Very high	97.6	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-59.7	-46.4	174.9	0	0	0	0	0	112.2	F50 P51 A56 S79 N80 Y85 L86 F87	F50-A83 HydrophobicContact CE1-CB 3.8Å; P51-A83 WeakPolarHBondContact O-CB 3.44Å; A56-A83 HydrophobicContact CB-CB 3.96Å; S79-A83 WeakPolarHBondContact O-CB 3.43Å; S79-A83 PolarHBondContact O-N 3.48Å; N80-A83 PolarHBondContact O-N 2.82Å; A83-Y85 PolarHBondContact O-N 2.87Å; A83-L86 PolarHBondContact O-N 3.06Å; A83-F87 HydrophobicContact CB-CE2 4.39Å; A83-F87 WeakPolarHBondContact O-CD2 3.22Å; A83-F87 WeakPolarHBondContact O-CG 3.31Å; A83-F87 PolarHBondContact O-N 3.28Å
84	K	98.6	Very high	97.8	Very high	52 Å²	52	71.7 Å²	71.7	23%	0.226	38%	0.378	C	S	.	.	H	α-helix	trans	-60.5	-43.6	175.9	-74.1	172.3	178.4	167.2	0	112.2	F50 D72 N75 N80 Q81 F87 N88 I94	F50-K84 HydrophobicContact CE1-CG 3.95Å; F50-K84 HydrophobicContact CE2-CG 4.4Å; F50-K84 HydrophobicContact CZ-CD 4.49Å; F50-K84 HydrophobicContact CZ-CG 3.56Å; D72-K84 WeakPolarHBondContact OD2-CE 3.1Å; D72-K84 IonicContact OD2-NZ 2.78Å; D72-K84 PolarHBondContact OD2-NZ 3.34Å; N75-K84 PolarHBondContact OD1-NZ 3.43Å; N80-K84 WeakPolarHBondContact O-CG 3.41Å; N80-K84 PolarHBondContact O-N 2.89Å; N80-K84 VanDerWaalsContact OD1-CE 3.23Å; N80-K84 WeakPolarHBondContact OD1-CE 3.35Å; N80-K84 PolarHBondContact OD1-NZ 3.37Å; Q81-K84 PolarHBondContact O-N 2.91Å; K84-F87 PolarHBondContact O-N 3.32Å; K84-N88 WeakPolarHBondContact O-CB 3.39Å; K84-N88 PolarHBondContact O-N 3.24Å; K84-I94 HydrophobicContact CG-CD1 4.25Å
85	Y	98.7	Very high	98	Very high	141 Å²	141	70.5 Å²	70.5	55%	0.553	37%	0.37	S	S	*	.	H	α-helix	trans	-59.3	-47.5	175.1	172.5	-96.6	0	0	0	111.6	Q81 A82 A83 N88 K89	Q81-Y85 WeakPolarHBondContact O-CB 3.36Å; Q81-Y85 PolarHBondContact O-N 2.71Å; A82-Y85 PolarHBondContact O-N 3.31Å; A83-Y85 PolarHBondContact O-N 2.87Å; Y85-N88 PolarHBondContact O-N 3.07Å; Y85-K89 HydrophobicContact CD1-CG 4.42Å; Y85-K89 HydrophobicContact CD2-CG 4.3Å; Y85-K89 HydrophobicContact CE1-CG 3.97Å; Y85-K89 HydrophobicContact CE2-CD 4.35Å; Y85-K89 HydrophobicContact CE2-CG 3.84Å; Y85-K89 WeakPolarHBondContact O-CB 3.37Å; Y85-K89 WeakPolarHBondContact O-CG 3.36Å; Y85-K89 PolarHBondContact O-N 3.4Å; Y85-K89 WeakPolarHBondContact OH-CE 3.37Å
86	L	98.8	Very high	98.1	Very high	48 Å²	48	71.6 Å²	71.6	25%	0.251	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-48.7	179.1	-72.7	170	0	0	0	111.8	A56 K57 I60 A82 A83 N88 K89 A90	A56-L86 HydrophobicContact CB-CB 4.45Å; A56-L86 HydrophobicContact CB-CD1 4.21Å; K57-L86 HydrophobicContact CG-CD1 4.04Å; I60-L86 HydrophobicContact CD1-CB 3.81Å; A82-L86 WeakPolarHBondContact O-CB 3.49Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.5Å; A82-L86 PolarHBondContact O-N 3.36Å; A83-L86 PolarHBondContact O-N 3.06Å; L86-N88 VanDerWaalsContact C-N 3.35Å; L86-N88 PolarHBondContact O-N 3.48Å; L86-K89 PolarHBondContact O-N 3.11Å; L86-A90 WeakPolarHBondContact O-CB 3.41Å; L86-A90 PolarHBondContact O-N 2.7Å
87	F	98.7	Very high	98.2	Very high	0 Å²	0	73 Å²	73	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-60.3	-44.3	178.4	-69.6	-46.6	0	0	0	112.2	F50 P51 A56 I59 I60 V67 A83 K84 K89 A90 D91 V92 I94	F50-F87 HydrophobicContact CE1-CD2 4.5Å; F50-F87 HydrophobicContact CE1-CE2 4.19Å; F50-F87 AromaticContact CZ-CD2 3.94Å; F50-F87 HydrophobicContact CZ-CD2 3.94Å; F50-F87 AromaticContact CZ-CE2 3.93Å; F50-F87 HydrophobicContact CZ-CE2 3.93Å; P51-F87 HydrophobicContact CB-CE2 4.34Å; P51-F87 HydrophobicContact CB-CZ 4.12Å; P51-F87 HydrophobicContact CG-CE2 4.29Å; P51-F87 HydrophobicContact CG-CZ 4.08Å; A56-F87 HydrophobicContact CB-CD1 4.39Å; A56-F87 HydrophobicContact CB-CD2 4.5Å; A56-F87 HydrophobicContact CB-CE1 3.77Å; A56-F87 HydrophobicContact CB-CE2 3.9Å; A56-F87 HydrophobicContact CB-CZ 3.5Å; A56-F87 VanDerWaalsContact CB-CZ 3.5Å; I59-F87 HydrophobicContact CB-CE1 4.1Å; I59-F87 HydrophobicContact CD1-CE1 4.28Å; I59-F87 HydrophobicContact CD1-CZ 3.93Å; I59-F87 HydrophobicContact CG2-CE1 3.83Å; I59-F87 HydrophobicContact CG2-CZ 4.49Å; I60-F87 HydrophobicContact CD1-CD1 4.18Å; I60-F87 HydrophobicContact CG1-CD1 4.11Å; I60-F87 HydrophobicContact CG1-CE1 4.37Å; V67-F87 HydrophobicContact CG2-CE1 4.1Å; V67-F87 HydrophobicContact CG2-CZ 4.06Å; A83-F87 HydrophobicContact CB-CE2 4.39Å; A83-F87 WeakPolarHBondContact O-CD2 3.22Å; A83-F87 WeakPolarHBondContact O-CG 3.31Å; A83-F87 PolarHBondContact O-N 3.28Å; K84-F87 PolarHBondContact O-N 3.32Å; F87-K89 VanDerWaalsContact C-N 3.32Å; F87-K89 PolarHBondContact O-N 3.41Å; F87-A90 PolarHBondContact O-N 3.19Å; F87-D91 PolarHBondContact O-N 2.84Å; F87-V92 HydrophobicContact CB-CB 4.21Å; F87-V92 HydrophobicContact CD1-CB 3.82Å; F87-V92 HydrophobicContact CD1-CG1 3.74Å; F87-V92 HydrophobicContact CD1-CG2 4.36Å; F87-V92 HydrophobicContact CE1-CG1 4.25Å; F87-V92 HydrophobicContact CG-CB 4.41Å; F87-V92 HydrophobicContact CG-CG1 4.45Å; F87-V92 PolarHBondContact O-N 3.36Å; F87-I94 HydrophobicContact CB-CG2 3.91Å; F87-I94 HydrophobicContact CD2-CG2 3.65Å; F87-I94 HydrophobicContact CE2-CG2 4.34Å; F87-I94 HydrophobicContact CG-CG2 3.88Å
88	N	98.5	Very high	98.3	Very high	119 Å²	119	75.4 Å²	75.4	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-63.6	-36.6	177.2	-177.3	78.1	0	0	0	112.5	K84 Y85 L86 A90	K84-N88 WeakPolarHBondContact O-CB 3.39Å; K84-N88 PolarHBondContact O-N 3.24Å; Y85-N88 PolarHBondContact O-N 3.07Å; L86-N88 VanDerWaalsContact C-N 3.35Å; L86-N88 PolarHBondContact O-N 3.48Å; N88-A90 VanDerWaalsContact C-N 3.34Å
89	K	98.6	Very high	98.1	Very high	136 Å²	136	70.8 Å²	70.8	59%	0.591	36%	0.363	S	S	*	.	H	α-helix	trans	-74.7	-23	177.7	-74.8	-62.6	-174.6	-176.3	0	114	Y85 L86 F87	Y85-K89 HydrophobicContact CD1-CG 4.42Å; Y85-K89 HydrophobicContact CD2-CG 4.3Å; Y85-K89 HydrophobicContact CE1-CG 3.97Å; Y85-K89 HydrophobicContact CE2-CD 4.35Å; Y85-K89 HydrophobicContact CE2-CG 3.84Å; Y85-K89 WeakPolarHBondContact O-CB 3.37Å; Y85-K89 WeakPolarHBondContact O-CG 3.36Å; Y85-K89 PolarHBondContact O-N 3.4Å; Y85-K89 WeakPolarHBondContact OH-CE 3.37Å; L86-K89 PolarHBondContact O-N 3.11Å; F87-K89 VanDerWaalsContact C-N 3.32Å; F87-K89 PolarHBondContact O-N 3.41Å
90	A	98.4	Very high	98.1	Very high	29 Å²	29	72.3 Å²	72.3	24%	0.24	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	8.8	-178.6	0	0	0	0	0	113.7	I60 L86 F87 N88 V92	I60-A90 HydrophobicContact CB-CB 4.35Å; I60-A90 HydrophobicContact CD1-CB 3.73Å; I60-A90 HydrophobicContact CG1-CB 3.76Å; I60-A90 HydrophobicContact CG2-CB 3.63Å; L86-A90 WeakPolarHBondContact O-CB 3.41Å; L86-A90 PolarHBondContact O-N 2.7Å; F87-A90 PolarHBondContact O-N 3.19Å; N88-A90 VanDerWaalsContact C-N 3.34Å; A90-V92 HydrophobicContact CB-CG2 4.17Å; A90-V92 PolarHBondContact O-N 3.44Å
91	D	98.1	Very high	97.9	Very high	137 Å²	137	79.5 Å²	79.5	73%	0.733	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	41.9	-174.5	-63	-46.3	0	0	0	112.9	F87	F87-D91 PolarHBondContact O-N 2.84Å
92	V	98.7	Very high	97.8	Very high	8 Å²	8	83.5 Å²	83.5	5%	0.048	42%	0.42	C	S	.	.			trans	-97.2	117.1	170.2	179.9	0	0	0	0	107.9	I60 I64 V67 F87 A90	I60-V92 HydrophobicContact CG1-CG2 3.95Å; I64-V92 WeakPolarHBondContact O-CG2 3.2Å; V67-V92 HydrophobicContact CG2-CG1 4.14Å; F87-V92 HydrophobicContact CB-CB 4.21Å; F87-V92 HydrophobicContact CD1-CB 3.82Å; F87-V92 HydrophobicContact CD1-CG1 3.74Å; F87-V92 HydrophobicContact CD1-CG2 4.36Å; F87-V92 HydrophobicContact CE1-CG1 4.25Å; F87-V92 HydrophobicContact CG-CB 4.41Å; F87-V92 HydrophobicContact CG-CG1 4.45Å; F87-V92 PolarHBondContact O-N 3.36Å; A90-V92 HydrophobicContact CB-CG2 4.17Å; A90-V92 PolarHBondContact O-N 3.44Å
93	S	98.6	Very high	97.7	Very high	63 Å²	63	87.1 Å²	87.1	44%	0.441	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	140.1	178.7	58.9	0	0	0	0	111.1	K65 E66 V67	K65-S93 PolarHBondContact O-N 3.35Å; K65-S93 PolarHBondContact O-OG 3.37Å; E66-S93 CarbonylContact C-O 3.51Å; E66-S93 VanDerWaalsContact CA-O 3.31Å; E66-S93 WeakPolarHBondContact CA-O 3.31Å; E66-S93 VanDerWaalsContact CA-OG 3.32Å; E66-S93 WeakPolarHBondContact CA-OG 3.46Å; E66-S93 WeakPolarHBondContact CB-OG 3.34Å; E66-S93 VanDerWaalsContact CG-OG 3.31Å; E66-S93 WeakPolarHBondContact CG-OG 3.46Å; V67-S93 PolarHBondContact N-O 2.9Å
94	I	98.6	Very high	97.6	Very high	67 Å²	67	94.1 Å²	94.1	34%	0.344	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.2	176.1	59.2	176.9	0	0	0	109.5	F50 V67 Y69 K84 F87	F50-I94 HydrophobicContact CE2-CB 4.42Å; F50-I94 HydrophobicContact CE2-CD1 4.15Å; F50-I94 HydrophobicContact CE2-CG2 4.37Å; F50-I94 HydrophobicContact CZ-CD1 4.29Å; V67-I94 HydrophobicContact CB-CG2 4.38Å; V67-I94 WeakPolarHBondContact O-CA 3.42Å; Y69-I94 HydrophobicContact CE1-CB 4.41Å; K84-I94 HydrophobicContact CG-CD1 4.25Å; F87-I94 HydrophobicContact CB-CG2 3.91Å; F87-I94 HydrophobicContact CD2-CG2 3.65Å; F87-I94 HydrophobicContact CE2-CG2 4.34Å; F87-I94 HydrophobicContact CG-CG2 3.88Å
95	R	98.2	Very high	97.5	Very high	110 Å²	110	98.6 Å²	98.6	42%	0.415	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.2	-178.2	179.4	167.9	58.1	87.7	-3.4	111.2	E66 V67 V68 Y69	E66-R95 IonicContact OE1-CZ 3.31Å; E66-R95 VanDerWaalsContact OE1-CZ 3.31Å; E66-R95 IonicContact OE1-NE 2.9Å; E66-R95 PolarHBondContact OE1-NE 3.5Å; E66-R95 IonicContact OE1-NH2 2.85Å; E66-R95 PolarHBondContact OE1-NH2 3.46Å; E66-R95 IonicContact OE2-NH2 3.99Å; V67-R95 PolarHBondContact O-N 3.41Å; V68-R95 CarbonylContact C-O 3.52Å; V68-R95 VanDerWaalsContact CA-O 3.24Å; V68-R95 WeakPolarHBondContact CA-O 3.28Å; Y69-R95 VanDerWaalsContact CD1-O 3.22Å; Y69-R95 WeakPolarHBondContact CD1-O 3.37Å; Y69-R95 VanDerWaalsContact CE1-C 3.41Å; Y69-R95 PolarHBondContact N-O 2.92Å
96	K	98.4	Very high	97.4	Very high	126 Å²	126	98.6 Å²	98.6	55%	0.548	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.9	170.2	-168.3	174.2	179.2	-179.3	0	109.6	Y69	Y69-K96 HydrophobicContact CD2-CG 4.34Å; Y69-K96 HydrophobicContact CE1-CB 4.36Å; Y69-K96 HydrophobicContact CE2-CB 3.86Å; Y69-K96 HydrophobicContact CE2-CD 4.35Å; Y69-K96 HydrophobicContact CE2-CG 3.89Å; Y69-K96 CarbonylContact O-C 3.49Å; Y69-K96 WeakPolarHBondContact O-CA 3.33Å
97	F	98.2	Very high	97.2	Very high	72 Å²	72	102 Å²	102	32%	0.316	53%	0.527	S	S	.	.			trans	-67.5	130.8	172.7	-177.7	-99.2	0	0	0	110.3	V68 Y69 Y70 P99	V68-F97 HydrophobicContact CG1-CB 3.97Å; V68-F97 HydrophobicContact CG1-CD2 4.18Å; Y69-F97 PolarHBondContact O-N 2.92Å; Y70-F97 AromaticContact CD2-CD1 3.82Å; Y70-F97 HydrophobicContact CD2-CD1 3.82Å; Y70-F97 HydrophobicContact CE2-CD1 4.31Å; F97-P99 WeakPolarHBondContact O-CD 3.41Å
98	T	97.2	Very high	97.1	Very high	111 Å²	111	109.6 Å²	109.6	68%	0.681	57%	0.567	S	S	*	*			trans	-93.1	115.8	172.9	-56.1	0	0	0	0	109	T100	T98-T100 PolarHBondContact O-N 3.14Å
99	P	94.5	Very high	96.7	Very high	69 Å²	69	114 Å²	114	45%	0.448	59%	0.59	S	S	.	*			trans	-57.2	138	176.3	-23.4	33.9	0	0	0	111.6	Y70 F97	Y70-P99 HydrophobicContact CE2-CG 4.13Å; F97-P99 WeakPolarHBondContact O-CD 3.41Å
100	T	95.2	Very high	96.6	Very high	71 Å²	71	112.9 Å²	112.9	44%	0.436	59%	0.59	S	S	.	*			trans	-98.2	3.3	-179.3	54.3	0	0	0	0	113	T98 R102	T98-T100 PolarHBondContact O-N 3.14Å; T100-R102 PolarHBondContact O-N 2.79Å; T100-R102 VanDerWaalsContact O-N 3.12Å; T100-R102 WeakPolarHBondContact OG1-CD 3.32Å; T100-R102 VanDerWaalsContact OG1-CG 3.31Å; T100-R102 WeakPolarHBondContact OG1-CG 3.3Å
101	N	95	Very high	96.5	Very high	157 Å²	157	117.3 Å²	117.3	84%	0.84	61%	0.609	S	S	*	*			trans	53.5	23.7	-170.2	-61.4	-32.8	0	0	0	113.9
102	R	95.7	Very high	96.4	Very high	199 Å²	199	116.2 Å²	116.2	75%	0.751	60%	0.602	S	S	*	*			trans	-81.2	138.2	172.7	-67	176.1	-173.3	145	0.6	109.8	T100	T100-R102 PolarHBondContact O-N 2.79Å; T100-R102 VanDerWaalsContact O-N 3.12Å; T100-R102 WeakPolarHBondContact OG1-CD 3.32Å; T100-R102 VanDerWaalsContact OG1-CG 3.31Å; T100-R102 WeakPolarHBondContact OG1-CG 3.3Å
103	T	96.5	Very high	96.2	Very high	115 Å²	115	122.6 Å²	122.6	71%	0.706	63%	0.634	S	S	*	*			trans	-101.1	135.1	170.9	-56.4	0	0	0	0	108.9
104	I	95.5	Very high	96.1	Very high	146 Å²	146	126.3 Å²	126.3	75%	0.749	65%	0.646	S	S	*	*			trans	-111	118	173.2	-59.5	174.2	0	0	0	106.8	I106	I104-I106 HydrophobicContact CG2-CG1 4.17Å
105	N	96.5	Very high	95.9	Very high	146 Å²	146	130.3 Å²	130.3	78%	0.781	67%	0.667	S	S	*	*			trans	-111.4	124.6	172.2	-67.7	-51.3	0	0	0	108.2
106	I	96.8	Very high	95.8	Very high	142 Å²	142	131.7 Å²	131.7	73%	0.728	69%	0.685	S	S	*	*			trans	-109.4	114.6	175.4	-57.1	176.1	0	0	0	106.6	I104 L108	I104-I106 HydrophobicContact CG2-CG1 4.17Å; I106-L108 HydrophobicContact CG2-CD2 3.96Å; I106-L108 HydrophobicContact CG2-CG 4.45Å
107	N	96.2	Very high	95.6	Very high	120 Å²	120	132.2 Å²	132.2	64%	0.642	70%	0.695	S	S	*	*			trans	-109.9	134.1	173	-168.7	-11.7	0	0	0	108.8	D109	N107-D109 PolarHBondContact OD1-N 2.98Å
108	L	94.9	Very high	95.3	Very high	159 Å²	159	137.2 Å²	137.2	83%	0.832	73%	0.727	S	S	*	*			trans	-114.5	-5.6	-177.1	-57.5	-179.9	0	0	0	113.1	I106	I106-L108 HydrophobicContact CG2-CD2 3.96Å; I106-L108 HydrophobicContact CG2-CG 4.45Å
109	D	90	Very high	95.2	Very high	211 Å²	211	139.5 Å²	139.5	100%	1.128	73%	0.731	S	S	*	*			trans	-75.6	0	174.8	-60.3	-34.4	0	0	0	111.1	N107	N107-D109 PolarHBondContact OD1-N 2.98Å

Retrieved 109 of 109 residues in 56.2 ms (Link to these results)

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