A0A077YXD1_TRITR Loading...

Related to two-component histidine kinase chk-1

AlphaFold DB , UniProt , Accession A0A077YXD1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 98 aa.

						>A0A077YXD1_TRITR|A0A077YXD1
MWHKSTTPGKASKRRIFENMVETKLADCKVEVMESYNPGLRPTIVTQISPAKAIGWIEFQLFNFRRCKGILADRSASVSLQSDGETTVSDKSSPKTTK
					

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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	51.8	Low	49.9	Very low	222 Å²	222	145.8 Å²	145.8	100%	1.094	77%	0.773	S	S	*	*				0	113.3	0	-84.1	170.6	160.9	0	0	108.5
2	W	48.2	Very low	50.7	Low	258 Å²	258	139.9 Å²	139.9	98%	0.977	75%	0.752	S	S	*	*			trans	-92.6	107.5	178.3	-74.3	53.1	0	0	0	108.4	K4	W2-K4 PolarHBondContact O-N 2.96Å
3	H	47.9	Very low	51.4	Low	168 Å²	168	143.7 Å²	143.7	78%	0.778	76%	0.758	S	S	*	*			trans	-74.8	103.6	171.7	-72.2	-82.6	0	0	0	108.5	S5	H3-S5 PolarHBondContact O-N 3.2Å
4	K	44.8	Very low	51.7	Low	194 Å²	194	146.1 Å²	146.1	84%	0.843	75%	0.751	S	S	*	*			trans	-72.3	87.2	161.9	-75.3	-176	178.4	-180	0	107.3	W2 T6	W2-K4 PolarHBondContact O-N 2.96Å; K4-T6 PolarHBondContact O-N 2.88Å
5	S	44.9	Very low	52.1	Low	96 Å²	96	147.4 Å²	147.4	67%	0.671	74%	0.743	S	S	*	*			trans	-67.4	88.9	162.6	57.3	0	0	0	0	107.4	H3 T7	H3-S5 PolarHBondContact O-N 3.2Å; S5-T7 PolarHBondContact O-N 2.93Å
6	T	46.6	Very low	52.6	Low	125 Å²	125	144.1 Å²	144.1	77%	0.767	73%	0.727	S	S	*	*			trans	-75.2	66.6	165.7	-44	0	0	0	0	107.2	K4 P8	K4-T6 PolarHBondContact O-N 2.88Å; T6-P8 WeakPolarHBondContact O-CD 3.43Å
7	T	49.4	Very low	52.7	Low	106 Å²	106	139.7 Å²	139.7	65%	0.65	70%	0.702	S	S	*	*			trans	-57.1	124.1	164.1	-35.7	0	0	0	0	104.9	S5 G9	S5-T7 PolarHBondContact O-N 2.93Å; T7-G9 VanDerWaalsContact C-N 3.28Å; T7-G9 PolarHBondContact O-N 2.69Å
8	P	49.3	Very low	53	Low	114 Å²	114	136.1 Å²	136.1	74%	0.74	68%	0.682	S	S	*	*			trans	-57.8	99.5	178.9	-18.9	29.1	0	0	0	107	T6 K10	T6-P8 WeakPolarHBondContact O-CD 3.43Å; P8-K10 PolarHBondContact O-N 3.12Å
9	G	52	Low	53.3	Low	66 Å²	66	133.5 Å²	133.5	68%	0.68	67%	0.671	S	S	*	*			trans	-58.1	118.2	-176	0	0	0	0	0	105.5	T7 A11	T7-G9 VanDerWaalsContact C-N 3.28Å; T7-G9 PolarHBondContact O-N 2.69Å; G9-A11 VanDerWaalsContact C-N 3.3Å; G9-A11 PolarHBondContact O-N 2.7Å
10	K	57.5	Low	53.5	Low	206 Å²	206	130.4 Å²	130.4	90%	0.896	66%	0.655	S	S	*	*			trans	-45	100.6	178.6	-68.9	175.5	179.8	175.2	0	106.8	P8 S12	P8-K10 PolarHBondContact O-N 3.12Å; K10-S12 PolarHBondContact O-N 3Å; K10-S12 VanDerWaalsContact O-N 3.12Å
11	A	57.2	Low	53.4	Low	49 Å²	49	125.2 Å²	125.2	41%	0.405	63%	0.63	S	S	.	*			trans	-58	128.1	178.8	0	0	0	0	0	105.2	G9 K13 I16	G9-A11 VanDerWaalsContact C-N 3.3Å; G9-A11 PolarHBondContact O-N 2.7Å; A11-K13 PolarHBondContact O-N 3.28Å; A11-I16 HydrophobicContact CB-CD1 4.03Å; A11-I16 HydrophobicContact CB-CG1 3.65Å
12	S	59.1	Low	53.7	Low	75 Å²	75	120.8 Å²	120.8	52%	0.524	61%	0.606	S	S	.	*			trans	-49.9	136.8	176.6	171.6	0	0	0	0	107.8	K10 R14 R15 I16	K10-S12 PolarHBondContact O-N 3Å; K10-S12 VanDerWaalsContact O-N 3.12Å; S12-R14 CarbonylContact O-C 3.57Å; S12-R14 PolarHBondContact O-N 3.43Å; S12-R14 PolarHBondContact OG-N 2.96Å; S12-R15 WeakPolarHBondContact O-CA 3.48Å; S12-R15 PolarHBondContact O-N 2.78Å; S12-I16 PolarHBondContact O-N 3.1Å; S12-I16 VanDerWaalsContact O-N 3.1Å
13	K	60.2	Low	54.2	Low	189 Å²	189	112.4 Å²	112.4	82%	0.822	58%	0.584	S	S	*	*	H	α-helix	trans	-48.8	-32.8	177.5	-69	-179.4	179.8	176.3	0	111.1	A11 F17	A11-K13 PolarHBondContact O-N 3.28Å; K13-F17 VanDerWaalsContact O-CB 3.29Å; K13-F17 WeakPolarHBondContact O-CB 3.33Å; K13-F17 PolarHBondContact O-N 2.81Å
14	R	55.2	Low	54.4	Low	177 Å²	177	110.5 Å²	110.5	67%	0.668	57%	0.573	S	S	*	*	H	α-helix	trans	-59.8	-48	172.8	-176.8	174.3	-179.7	141.3	4	113.2	S12 F17 E18	S12-R14 CarbonylContact O-C 3.57Å; S12-R14 PolarHBondContact O-N 3.43Å; S12-R14 PolarHBondContact OG-N 2.96Å; R14-F17 WeakPolarHBondContact O-CB 3.34Å; R14-F17 PolarHBondContact O-N 2.81Å; R14-E18 HydrophobicContact CG-CG 4.43Å; R14-E18 WeakPolarHBondContact CG-OE1 3.29Å; R14-E18 IonicContact CZ-OE1 3.64Å; R14-E18 IonicContact NE-OE1 2.81Å; R14-E18 PolarHBondContact NE-OE1 3.49Å; R14-E18 IonicContact NH2-OE1 3.56Å; R14-E18 WeakPolarHBondContact O-CB 3.48Å; R14-E18 WeakPolarHBondContact O-CG 3.39Å; R14-E18 PolarHBondContact O-N 3.36Å
15	R	57.1	Low	54.6	Low	166 Å²	166	105.2 Å²	105.2	63%	0.626	55%	0.554	S	S	*	*	H	α-helix	trans	-68.7	-37	180	-165.4	176.9	-173.3	173.2	2.8	112.1	S12 F17 N19	S12-R15 WeakPolarHBondContact O-CA 3.48Å; S12-R15 PolarHBondContact O-N 2.78Å; R15-F17 VanDerWaalsContact C-N 3.3Å; R15-N19 WeakPolarHBondContact O-CB 3.4Å; R15-N19 PolarHBondContact O-N 2.83Å; R15-N19 PolarHBondContact O-OD1 2.98Å
16	I	60.4	Low	55.1	Low	94 Å²	94	104.4 Å²	104.4	48%	0.482	55%	0.553	S	S	.	*	H	α-helix	trans	-63.5	-42.1	173	-60.6	173.8	0	0	0	110	A11 S12 M20	A11-I16 HydrophobicContact CB-CD1 4.03Å; A11-I16 HydrophobicContact CB-CG1 3.65Å; S12-I16 PolarHBondContact O-N 3.1Å; S12-I16 VanDerWaalsContact O-N 3.1Å; I16-M20 WeakPolarHBondContact O-CB 3.33Å; I16-M20 PolarHBondContact O-N 2.81Å
17	F	54.6	Low	55.3	Low	70 Å²	70	103.1 Å²	103.1	31%	0.307	54%	0.541	S	S	.	.	H	α-helix	trans	-63.5	-53.5	176	179.1	-90.4	0	0	0	111.3	K13 R14 R15 N19 M20 V21 F59	K13-F17 VanDerWaalsContact O-CB 3.29Å; K13-F17 WeakPolarHBondContact O-CB 3.33Å; K13-F17 PolarHBondContact O-N 2.81Å; R14-F17 WeakPolarHBondContact O-CB 3.34Å; R14-F17 PolarHBondContact O-N 2.81Å; R15-F17 VanDerWaalsContact C-N 3.3Å; F17-N19 VanDerWaalsContact C-N 3.32Å; F17-N19 PolarHBondContact O-N 3.41Å; F17-M20 HydrophobicContact CD2-CE 4.33Å; F17-M20 PolarHBondContact O-N 3.23Å; F17-M20 VanDerWaalsContact O-N 3.08Å; F17-V21 HydrophobicContact CD1-CG2 3.85Å; F17-V21 HydrophobicContact CD2-CG2 4.43Å; F17-V21 HydrophobicContact CE1-CG2 3.54Å; F17-V21 HydrophobicContact CE2-CG2 4.2Å; F17-V21 HydrophobicContact CG-CG2 4.28Å; F17-V21 HydrophobicContact CZ-CG2 3.73Å; F17-V21 WeakPolarHBondContact O-CB 3.42Å; F17-V21 VanDerWaalsContact O-CG2 3.24Å; F17-V21 WeakPolarHBondContact O-CG2 3.38Å; F17-V21 PolarHBondContact O-N 2.94Å; F17-F59 AromaticContact CD2-CE1 3.96Å; F17-F59 HydrophobicContact CD2-CE1 3.96Å; F17-F59 HydrophobicContact CD2-CZ 4.24Å; F17-F59 HydrophobicContact CE2-CD1 4.47Å; F17-F59 AromaticContact CE2-CE1 3.52Å; F17-F59 HydrophobicContact CE2-CE1 3.52Å; F17-F59 HydrophobicContact CE2-CZ 4.2Å; F17-F59 HydrophobicContact CZ-CE1 4.48Å
18	E	57.4	Low	55.1	Low	75 Å²	75	99 Å²	99	35%	0.35	52%	0.517	S	S	.	.	H	α-helix	trans	-53.1	-48.2	177.6	-73.8	164.7	177.6	0	0	111.1	R14 M20 V21 E22	R14-E18 HydrophobicContact CG-CG 4.43Å; R14-E18 WeakPolarHBondContact CG-OE1 3.29Å; R14-E18 IonicContact CZ-OE1 3.64Å; R14-E18 IonicContact NE-OE1 2.81Å; R14-E18 PolarHBondContact NE-OE1 3.49Å; R14-E18 IonicContact NH2-OE1 3.56Å; R14-E18 WeakPolarHBondContact O-CB 3.48Å; R14-E18 WeakPolarHBondContact O-CG 3.39Å; R14-E18 PolarHBondContact O-N 3.36Å; E18-M20 PolarHBondContact O-N 3.42Å; E18-V21 PolarHBondContact O-N 3.34Å; E18-E22 WeakPolarHBondContact O-CB 3.45Å; E18-E22 WeakPolarHBondContact O-CG 3.47Å; E18-E22 PolarHBondContact O-N 2.81Å
19	N	60	Low	55	Low	87 Å²	87	101.8 Å²	101.8	47%	0.465	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-43.2	176.2	-81.6	24.1	0	0	0	113.1	R15 F17 V21 E22 T23	R15-N19 WeakPolarHBondContact O-CB 3.4Å; R15-N19 PolarHBondContact O-N 2.83Å; R15-N19 PolarHBondContact O-OD1 2.98Å; F17-N19 VanDerWaalsContact C-N 3.32Å; F17-N19 PolarHBondContact O-N 3.41Å; N19-V21 VanDerWaalsContact C-N 3.35Å; N19-E22 PolarHBondContact O-N 3.33Å; N19-T23 WeakPolarHBondContact O-CB 3.28Å; N19-T23 PolarHBondContact O-N 2.92Å; N19-T23 PolarHBondContact O-OG1 3.03Å
20	M	55.8	Low	54.8	Low	70 Å²	70	101.1 Å²	101.1	35%	0.345	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-39.9	178.8	172.6	176.1	36.6	0	0	111.5	I16 F17 E18 T23 K24 F59	I16-M20 WeakPolarHBondContact O-CB 3.33Å; I16-M20 PolarHBondContact O-N 2.81Å; F17-M20 HydrophobicContact CD2-CE 4.33Å; F17-M20 PolarHBondContact O-N 3.23Å; F17-M20 VanDerWaalsContact O-N 3.08Å; E18-M20 PolarHBondContact O-N 3.42Å; M20-T23 PolarHBondContact O-N 3.04Å; M20-K24 HydrophobicContact CG-CG 4.49Å; M20-K24 VanDerWaalsContact O-CB 3.31Å; M20-K24 WeakPolarHBondContact O-CB 3.47Å; M20-K24 VanDerWaalsContact O-CG 3.3Å; M20-K24 WeakPolarHBondContact O-CG 3.24Å; M20-K24 PolarHBondContact O-N 3.48Å; M20-F59 HydrophobicContact CE-CE1 4.03Å; M20-F59 HydrophobicContact CE-CE2 3.98Å; M20-F59 HydrophobicContact CE-CZ 3.24Å; M20-F59 HydrophobicContact SD-CE1 4.43Å; M20-F59 HydrophobicContact SD-CE2 3.87Å; M20-F59 HydrophobicContact SD-CZ 3.65Å
21	V	51.8	Low	54.3	Low	22 Å²	22	97.1 Å²	97.1	13%	0.133	49%	0.485	C	S	.	.	H	α-helix	trans	-62.1	-50.9	174.8	167.1	0	0	0	0	110.2	F17 E18 N19 T23 K24 L25 W56	F17-V21 HydrophobicContact CD1-CG2 3.85Å; F17-V21 HydrophobicContact CD2-CG2 4.43Å; F17-V21 HydrophobicContact CE1-CG2 3.54Å; F17-V21 HydrophobicContact CE2-CG2 4.2Å; F17-V21 HydrophobicContact CG-CG2 4.28Å; F17-V21 HydrophobicContact CZ-CG2 3.73Å; F17-V21 WeakPolarHBondContact O-CB 3.42Å; F17-V21 VanDerWaalsContact O-CG2 3.24Å; F17-V21 WeakPolarHBondContact O-CG2 3.38Å; F17-V21 PolarHBondContact O-N 2.94Å; E18-V21 PolarHBondContact O-N 3.34Å; N19-V21 VanDerWaalsContact C-N 3.35Å; V21-T23 VanDerWaalsContact C-N 3.33Å; V21-T23 PolarHBondContact O-N 3.26Å; V21-K24 PolarHBondContact O-N 3.42Å; V21-L25 HydrophobicContact CG1-CD1 3.63Å; V21-L25 HydrophobicContact CG1-CG 4.28Å; V21-L25 VanDerWaalsContact O-CB 3.26Å; V21-L25 WeakPolarHBondContact O-CB 2.94Å; V21-L25 VanDerWaalsContact O-CG 3.25Å; V21-L25 WeakPolarHBondContact O-CG 3.5Å; V21-L25 PolarHBondContact O-N 3.37Å; V21-W56 HydrophobicContact CB-CH2 3.85Å; V21-W56 HydrophobicContact CB-CZ3 3.99Å; V21-W56 HydrophobicContact CG1-CH2 3.36Å; V21-W56 HydrophobicContact CG1-CZ3 3.72Å; V21-W56 HydrophobicContact CG2-CH2 3.28Å; V21-W56 HydrophobicContact CG2-CZ2 4.49Å; V21-W56 HydrophobicContact CG2-CZ3 3.57Å
22	E	59.1	Low	54	Low	129 Å²	129	98.7 Å²	98.7	60%	0.603	49%	0.489	S	S	*	.	H	α-helix	trans	-58.5	-44.5	177.2	-77.6	178.6	177.8	0	0	111.7	E18 N19 L25 A26	E18-E22 WeakPolarHBondContact O-CB 3.45Å; E18-E22 WeakPolarHBondContact O-CG 3.47Å; E18-E22 PolarHBondContact O-N 2.81Å; N19-E22 PolarHBondContact O-N 3.33Å; E22-L25 CarbonylContact O-C 3.59Å; E22-L25 PolarHBondContact O-N 2.84Å; E22-A26 WeakPolarHBondContact O-CB 3.47Å; E22-A26 PolarHBondContact O-N 2.99Å
23	T	59.1	Low	53.3	Low	83 Å²	83	100.4 Å²	100.4	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-44.2	-178.9	-50.3	0	0	0	0	110.9	N19 M20 V21 L25 A26 D27	N19-T23 WeakPolarHBondContact O-CB 3.28Å; N19-T23 PolarHBondContact O-N 2.92Å; N19-T23 PolarHBondContact O-OG1 3.03Å; M20-T23 PolarHBondContact O-N 3.04Å; V21-T23 VanDerWaalsContact C-N 3.33Å; V21-T23 PolarHBondContact O-N 3.26Å; T23-L25 VanDerWaalsContact C-N 3.34Å; T23-A26 PolarHBondContact O-N 3.44Å; T23-D27 PolarHBondContact O-N 3.22Å
24	K	50.2	Low	52.8	Low	127 Å²	127	98.2 Å²	98.2	55%	0.552	48%	0.482	S	S	*	.	H	α-helix	trans	-67.8	-35.1	176.9	-72.2	-65.8	179.9	-166.8	0	112.1	M20 V21 D27 C28	M20-K24 HydrophobicContact CG-CG 4.49Å; M20-K24 VanDerWaalsContact O-CB 3.31Å; M20-K24 WeakPolarHBondContact O-CB 3.47Å; M20-K24 VanDerWaalsContact O-CG 3.3Å; M20-K24 WeakPolarHBondContact O-CG 3.24Å; M20-K24 PolarHBondContact O-N 3.48Å; V21-K24 PolarHBondContact O-N 3.42Å; K24-D27 PolarHBondContact O-N 2.81Å; K24-C28 PolarHBondContact O-N 3.28Å; K24-C28 PolarHBondContact O-SG 2.93Å
25	L	49.5	Very low	52.7	Low	84 Å²	84	92.1 Å²	92.1	44%	0.44	47%	0.467	S	S	.	.	H	α-helix	trans	-70.9	-30.8	172.6	-74.3	173.3	0	0	0	112.5	V21 E22 T23 C28	V21-L25 HydrophobicContact CG1-CD1 3.63Å; V21-L25 HydrophobicContact CG1-CG 4.28Å; V21-L25 VanDerWaalsContact O-CB 3.26Å; V21-L25 WeakPolarHBondContact O-CB 2.94Å; V21-L25 VanDerWaalsContact O-CG 3.25Å; V21-L25 WeakPolarHBondContact O-CG 3.5Å; V21-L25 PolarHBondContact O-N 3.37Å; E22-L25 CarbonylContact O-C 3.59Å; E22-L25 PolarHBondContact O-N 2.84Å; T23-L25 VanDerWaalsContact C-N 3.34Å; L25-C28 CarbonylContact O-C 3.46Å; L25-C28 WeakPolarHBondContact O-CA 3.18Å; L25-C28 WeakPolarHBondContact O-CB 3.11Å; L25-C28 PolarHBondContact O-N 3.42Å
26	A	55.3	Low	52.3	Low	78 Å²	78	92.8 Å²	92.8	65%	0.645	47%	0.471	S	S	*	.	H	α-helix	trans	-69.3	-38.3	172.2	0	0	0	0	0	111.3	E22 T23 C28	E22-A26 WeakPolarHBondContact O-CB 3.47Å; E22-A26 PolarHBondContact O-N 2.99Å; T23-A26 PolarHBondContact O-N 3.44Å; A26-C28 PolarHBondContact O-N 2.84Å
27	D	50.4	Low	52.3	Low	98 Å²	98	92.7 Å²	92.7	52%	0.524	47%	0.472	S	S	.	.	H	α-helix	trans	-67.3	-26.7	171.3	-70.5	-22.5	0	0	0	111.9	T23 K24 K29 K52	T23-D27 PolarHBondContact O-N 3.22Å; K24-D27 PolarHBondContact O-N 2.81Å; D27-K29 PolarHBondContact O-N 3.08Å; D27-K52 PolarHBondContact O-NZ 2.86Å
28	C	46	Very low	52.6	Low	21 Å²	21	94.6 Å²	94.6	14%	0.142	49%	0.491	C	S	.	.	S	Bend	trans	-65.6	90.4	160.1	-56.3	0	0	0	0	107.3	K24 L25 A26 V30 K52	K24-C28 PolarHBondContact O-N 3.28Å; K24-C28 PolarHBondContact O-SG 2.93Å; L25-C28 CarbonylContact O-C 3.46Å; L25-C28 WeakPolarHBondContact O-CA 3.18Å; L25-C28 WeakPolarHBondContact O-CB 3.11Å; L25-C28 PolarHBondContact O-N 3.42Å; A26-C28 PolarHBondContact O-N 2.84Å; C28-V30 HydrophobicContact CB-CG2 4.45Å; C28-V30 PolarHBondContact O-N 3.36Å; C28-K52 HydrophobicContact CB-CD 4.11Å; C28-K52 VanDerWaalsContact SG-CD 3.57Å
29	K	48	Very low	53.3	Low	172 Å²	172	95 Å²	95	75%	0.748	52%	0.515	S	S	*	.			trans	-50	89.2	150.4	-85.9	-172.9	174.5	-175.2	0	107	D27 E31	D27-K29 PolarHBondContact O-N 3.08Å; K29-E31 VanDerWaalsContact C-N 3.26Å; K29-E31 PolarHBondContact O-N 2.8Å; K29-E31 VanDerWaalsContact O-N 3.07Å
30	V	47	Very low	53.3	Low	51 Å²	51	96.5 Å²	96.5	31%	0.309	52%	0.522	S	S	.	.			trans	-68	100.2	162.2	168.3	0	0	0	0	102.2	C28 V32 T46	C28-V30 HydrophobicContact CB-CG2 4.45Å; C28-V30 PolarHBondContact O-N 3.36Å; V30-V32 HydrophobicContact CG1-CG2 3.89Å; V30-V32 PolarHBondContact O-N 2.96Å; V30-T46 HydrophobicContact CB-CG2 4.37Å; V30-T46 HydrophobicContact CG1-CG2 3.28Å; V30-T46 HydrophobicContact CG2-CG2 4.2Å
31	E	47.9	Very low	53.6	Low	123 Å²	123	104 Å²	104	58%	0.575	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	99.6	168.1	-70.8	-175.7	177.2	0	0	105.5	K29 M33	K29-E31 VanDerWaalsContact C-N 3.26Å; K29-E31 PolarHBondContact O-N 2.8Å; K29-E31 VanDerWaalsContact O-N 3.07Å; E31-M33 VanDerWaalsContact C-N 3.27Å; E31-M33 PolarHBondContact O-N 3.5Å
32	V	49.2	Very low	53.9	Low	82 Å²	82	106.8 Å²	106.8	50%	0.497	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.4	91.5	169.1	-180	0	0	0	0	105	V30 E34 I44	V30-V32 HydrophobicContact CG1-CG2 3.89Å; V30-V32 PolarHBondContact O-N 2.96Å; V32-E34 PolarHBondContact O-N 2.78Å; V32-I44 HydrophobicContact CG1-CG2 3.55Å
33	M	45.1	Very low	53.7	Low	110 Å²	110	104.5 Å²	104.5	54%	0.542	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.3	107.3	171	-76.2	-172.8	65.6	0	0	107.8	E31 S35 V45	E31-M33 VanDerWaalsContact C-N 3.27Å; E31-M33 PolarHBondContact O-N 3.5Å; M33-S35 PolarHBondContact O-N 2.81Å; M33-V45 PolarHBondContact N-O 3.25Å; M33-V45 PolarHBondContact O-N 3.47Å
34	E	50.4	Low	53.2	Low	143 Å²	143	105.4 Å²	105.4	67%	0.668	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.5	105.7	164.2	-71.9	-173.4	169.9	0	0	108	V32 Y36 I44	V32-E34 PolarHBondContact O-N 2.78Å; E34-Y36 PolarHBondContact O-N 3.03Å; E34-I44 HydrophobicContact CG-CG1 4.34Å
35	S	52.8	Low	53.2	Low	50 Å²	50	102.5 Å²	102.5	35%	0.35	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.3	116.2	168.6	63.9	0	0	0	0	108.6	M33 T43	M33-S35 PolarHBondContact O-N 2.81Å; S35-T43 PolarHBondContact N-O 2.88Å; S35-T43 PolarHBondContact OG-O 3.42Å; S35-T43 VanDerWaalsContact OG-O 3.14Å
36	Y	48	Very low	53.4	Low	180 Å²	180	102.4 Å²	102.4	71%	0.706	56%	0.557	S	S	*	*			trans	-95.8	105.3	172	-171.9	-94.8	0	0	0	109.1	E34 P38	E34-Y36 PolarHBondContact O-N 3.03Å; Y36-P38 HydrophobicContact CE1-CB 4.18Å
37	N	61.6	Low	53.2	Low	92 Å²	92	104.4 Å²	104.4	49%	0.492	55%	0.553	S	S	.	*			trans	-104.1	115.6	167.1	-84.2	-34.3	0	0	0	108.2	G39 L40	N37-G39 PolarHBondContact O-N 3.36Å; N37-L40 HydrophobicContact CB-CB 4.08Å; N37-L40 HydrophobicContact CB-CD1 4.04Å; N37-L40 HydrophobicContact CB-CG 4.42Å; N37-L40 PolarHBondContact O-N 2.89Å
38	P	60.6	Low	53.5	Low	110 Å²	110	104.2 Å²	104.2	71%	0.714	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	123.3	176.8	18	-24.9	0	0	0	110.1	Y36	Y36-P38 HydrophobicContact CE1-CB 4.18Å
39	G	71.7	Confident	54.1	Low	84 Å²	84	105.6 Å²	105.6	87%	0.866	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.3	-8.6	-175.6	0	0	0	0	0	115.3	N37	N37-G39 PolarHBondContact O-N 3.36Å
40	L	59	Low	54.4	Low	117 Å²	117	102.2 Å²	102.2	61%	0.613	56%	0.557	S	S	*	*	S	Bend	trans	-117.7	148.9	175.3	-64.9	174.5	0	0	0	111.1	N37	N37-L40 HydrophobicContact CB-CB 4.08Å; N37-L40 HydrophobicContact CB-CD1 4.04Å; N37-L40 HydrophobicContact CB-CG 4.42Å; N37-L40 PolarHBondContact O-N 2.89Å
41	R	62.7	Low	54.9	Low	228 Å²	228	103.3 Å²	103.3	86%	0.86	57%	0.571	S	S	*	*			trans	-62.8	135.9	175.6	-157	176.1	-173.1	-171.6	1.7	108.5	T43	R41-T43 PolarHBondContact O-N 2.66Å; R41-T43 VanDerWaalsContact O-N 3.1Å; R41-T43 PolarHBondContact O-OG1 3.47Å
42	P	58.3	Low	55.3	Low	80 Å²	80	101.5 Å²	101.5	52%	0.519	56%	0.561	S	S	.	*			trans	-49.7	122	178.2	-27.5	33.7	0	0	0	110.4
43	T	54.3	Low	55.8	Low	82 Å²	82	99.4 Å²	99.4	50%	0.503	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	114.6	178.1	-56.5	0	0	0	0	107.7	S35 R41 V45	S35-T43 PolarHBondContact N-O 2.88Å; S35-T43 PolarHBondContact OG-O 3.42Å; S35-T43 VanDerWaalsContact OG-O 3.14Å; R41-T43 PolarHBondContact O-N 2.66Å; R41-T43 VanDerWaalsContact O-N 3.1Å; R41-T43 PolarHBondContact O-OG1 3.47Å; T43-V45 HydrophobicContact CG2-CG2 4.32Å; T43-V45 PolarHBondContact O-N 2.98Å
44	I	49.8	Very low	56.4	Low	101 Å²	101	98.6 Å²	98.6	52%	0.518	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	114.7	175.2	-66.4	168.6	0	0	0	107.6	V32 E34	V32-I44 HydrophobicContact CG1-CG2 3.55Å; E34-I44 HydrophobicContact CG-CG1 4.34Å
45	V	50.5	Low	57	Low	66 Å²	66	93.4 Å²	93.4	40%	0.4	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.1	172.9	-172.8	0	0	0	0	108.3	M33 T43 Q47	M33-V45 PolarHBondContact N-O 3.25Å; M33-V45 PolarHBondContact O-N 3.47Å; T43-V45 HydrophobicContact CG2-CG2 4.32Å; T43-V45 PolarHBondContact O-N 2.98Å; V45-Q47 HydrophobicContact CG1-CG 4.34Å
46	T	52.1	Low	57.4	Low	82 Å²	82	95.4 Å²	95.4	50%	0.503	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	107.2	174	-66.5	0	0	0	0	108.2	V30 I48	V30-T46 HydrophobicContact CB-CG2 4.37Å; V30-T46 HydrophobicContact CG1-CG2 3.28Å; V30-T46 HydrophobicContact CG2-CG2 4.2Å; T46-I48 HydrophobicContact CG2-CG1 4.44Å
47	Q	51.4	Low	58.2	Low	120 Å²	120	91.5 Å²	91.5	56%	0.561	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	171.1	-67.2	-165.2	10.8	0	0	110.3	V45	V45-Q47 HydrophobicContact CG1-CG 4.34Å
48	I	56.8	Low	58.1	Low	94 Å²	94	92.9 Å²	92.9	48%	0.482	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-92.7	129.1	169.4	-59.2	172.7	0	0	0	106.8	T46 K52 A53	T46-I48 HydrophobicContact CG2-CG1 4.44Å; I48-K52 HydrophobicContact CG2-CB 4.33Å; I48-A53 HydrophobicContact CG2-CB 4.29Å
49	S	58.3	Low	58.3	Low	51 Å²	51	90.1 Å²	90.1	36%	0.357	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-63.8	139.1	178.4	77.5	0	0	0	0	110.8	A51 K52 A53	S49-A51 VanDerWaalsContact C-N 3.3Å; S49-A51 PolarHBondContact O-N 2.87Å; S49-K52 WeakPolarHBondContact O-CA 3.41Å; S49-K52 WeakPolarHBondContact O-CB 3.37Å; S49-K52 PolarHBondContact O-N 3.42Å; S49-K52 WeakPolarHBondContact OG-CD 3.3Å; S49-K52 VanDerWaalsContact OG-CG 3.23Å; S49-K52 WeakPolarHBondContact OG-CG 3.35Å; S49-A53 PolarHBondContact O-N 2.91Å; S49-A53 VanDerWaalsContact O-N 3.07Å
50	P	55.8	Low	58	Low	101 Å²	101	89.8 Å²	89.8	66%	0.656	48%	0.481	S	S	*	.	H	α-helix	trans	-54.9	-42.4	-175.6	-28.9	34.7	0	0	0	113.7	K52 A53 I54	P50-K52 PolarHBondContact O-N 3Å; P50-A53 PolarHBondContact O-N 3.21Å; P50-I54 VanDerWaalsContact O-CG1 3.29Å; P50-I54 WeakPolarHBondContact O-CG1 3.31Å; P50-I54 PolarHBondContact O-N 3.29Å
51	A	56.7	Low	58.1	Low	74 Å²	74	88.2 Å²	88.2	61%	0.612	47%	0.473	S	S	*	.	H	α-helix	trans	-57.9	-34.1	176.7	0	0	0	0	0	112.7	S49 G55	S49-A51 VanDerWaalsContact C-N 3.3Å; S49-A51 PolarHBondContact O-N 2.87Å; A51-G55 PolarHBondContact O-N 2.99Å; A51-G55 VanDerWaalsContact O-N 3.07Å
52	K	56.8	Low	58	Low	84 Å²	84	83.1 Å²	83.1	37%	0.365	46%	0.457	S	S	.	.	H	α-helix	trans	-79.8	-35.5	179.2	-68.6	-179.6	-174.9	-179.7	0	112.1	D27 C28 I48 S49 P50 I54 G55 W56	D27-K52 PolarHBondContact O-NZ 2.86Å; C28-K52 HydrophobicContact CB-CD 4.11Å; C28-K52 VanDerWaalsContact SG-CD 3.57Å; I48-K52 HydrophobicContact CG2-CB 4.33Å; S49-K52 WeakPolarHBondContact O-CA 3.41Å; S49-K52 WeakPolarHBondContact O-CB 3.37Å; S49-K52 PolarHBondContact O-N 3.42Å; S49-K52 WeakPolarHBondContact OG-CD 3.3Å; S49-K52 VanDerWaalsContact OG-CG 3.23Å; S49-K52 WeakPolarHBondContact OG-CG 3.35Å; P50-K52 PolarHBondContact O-N 3Å; K52-I54 VanDerWaalsContact C-N 3.31Å; K52-G55 PolarHBondContact O-N 3.42Å; K52-W56 PolarHBondContact O-N 2.81Å
53	A	58.9	Low	57.9	Low	39 Å²	39	81.2 Å²	81.2	32%	0.322	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-41.2	170.2	0	0	0	0	0	111.4	I48 S49 P50 W56 I57	I48-A53 HydrophobicContact CG2-CB 4.29Å; S49-A53 PolarHBondContact O-N 2.91Å; S49-A53 VanDerWaalsContact O-N 3.07Å; P50-A53 PolarHBondContact O-N 3.21Å; A53-W56 PolarHBondContact O-N 3.3Å; A53-I57 WeakPolarHBondContact O-CD1 3.31Å; A53-I57 VanDerWaalsContact O-CG1 3.27Å; A53-I57 WeakPolarHBondContact O-CG1 3.25Å; A53-I57 PolarHBondContact O-N 2.85Å
54	I	58	Low	58.1	Low	92 Å²	92	82.5 Å²	82.5	47%	0.472	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-52.1	174.9	-67.2	164.3	0	0	0	110.4	P50 K52 W56 I57 E58	P50-I54 VanDerWaalsContact O-CG1 3.29Å; P50-I54 WeakPolarHBondContact O-CG1 3.31Å; P50-I54 PolarHBondContact O-N 3.29Å; K52-I54 VanDerWaalsContact C-N 3.31Å; I54-W56 PolarHBondContact O-N 2.85Å; I54-I57 PolarHBondContact O-N 2.72Å; I54-I57 VanDerWaalsContact O-N 3.09Å; I54-E58 HydrophobicContact CG2-CG 4.25Å; I54-E58 WeakPolarHBondContact O-CG 3.3Å; I54-E58 PolarHBondContact O-N 3.35Å
55	G	63.7	Low	58.4	Low	34 Å²	34	85 Å²	85	35%	0.351	44%	0.444	S	S	.	.	H	α-helix	trans	-58.6	-35.3	178.5	0	0	0	0	0	113.4	A51 K52 F59	A51-G55 PolarHBondContact O-N 2.99Å; A51-G55 VanDerWaalsContact O-N 3.07Å; K52-G55 PolarHBondContact O-N 3.42Å; G55-F59 VanDerWaalsContact O-CB 3.3Å; G55-F59 WeakPolarHBondContact O-CB 3.33Å; G55-F59 PolarHBondContact O-N 2.8Å
56	W	60.9	Low	58.7	Low	93 Å²	93	91 Å²	91	35%	0.352	46%	0.46	S	S	.	.	H	α-helix	trans	-67.3	-45.9	173.7	-177.7	-97	0	0	0	112.7	V21 K52 A53 I54 F59 Q60	V21-W56 HydrophobicContact CB-CH2 3.85Å; V21-W56 HydrophobicContact CB-CZ3 3.99Å; V21-W56 HydrophobicContact CG1-CH2 3.36Å; V21-W56 HydrophobicContact CG1-CZ3 3.72Å; V21-W56 HydrophobicContact CG2-CH2 3.28Å; V21-W56 HydrophobicContact CG2-CZ2 4.49Å; V21-W56 HydrophobicContact CG2-CZ3 3.57Å; K52-W56 PolarHBondContact O-N 2.81Å; A53-W56 PolarHBondContact O-N 3.3Å; I54-W56 PolarHBondContact O-N 2.85Å; W56-F59 PolarHBondContact O-N 2.78Å; W56-Q60 VanDerWaalsContact CZ2-NE2 3.31Å; W56-Q60 VanDerWaalsContact O-CG 3.31Å; W56-Q60 WeakPolarHBondContact O-CG 3.47Å; W56-Q60 PolarHBondContact O-N 3.11Å
57	I	63.6	Low	58.7	Low	97 Å²	97	92.5 Å²	92.5	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-62	-45.7	177.1	-68.2	163.3	0	0	0	110.2	A53 I54 F59 Q60 L61	A53-I57 WeakPolarHBondContact O-CD1 3.31Å; A53-I57 VanDerWaalsContact O-CG1 3.27Å; A53-I57 WeakPolarHBondContact O-CG1 3.25Å; A53-I57 PolarHBondContact O-N 2.85Å; I54-I57 PolarHBondContact O-N 2.72Å; I54-I57 VanDerWaalsContact O-N 3.09Å; I57-F59 VanDerWaalsContact C-N 3.31Å; I57-F59 PolarHBondContact O-N 3.23Å; I57-Q60 PolarHBondContact O-N 3.43Å; I57-L61 HydrophobicContact CG2-CD1 3.96Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.26Å; I57-L61 PolarHBondContact O-N 2.96Å
58	E	60.6	Low	58.7	Low	122 Å²	122	93.1 Å²	93.1	57%	0.57	47%	0.473	S	S	*	.	H	α-helix	trans	-59.2	-42.7	176.2	-73.4	179.9	166.5	0	0	111.6	I54 L61 F62	I54-E58 HydrophobicContact CG2-CG 4.25Å; I54-E58 WeakPolarHBondContact O-CG 3.3Å; I54-E58 PolarHBondContact O-N 3.35Å; E58-L61 PolarHBondContact O-N 3.44Å; E58-F62 WeakPolarHBondContact O-CB 3.35Å; E58-F62 PolarHBondContact O-N 3.11Å
59	F	64.1	Low	58.2	Low	51 Å²	51	91.3 Å²	91.3	22%	0.224	48%	0.478	C	S	.	.	H	α-helix	trans	-64.2	-42.6	175.9	-179.5	-108.6	0	0	0	112.1	F17 M20 G55 W56 I57 L61 F62 N63	F17-F59 AromaticContact CD2-CE1 3.96Å; F17-F59 HydrophobicContact CD2-CE1 3.96Å; F17-F59 HydrophobicContact CD2-CZ 4.24Å; F17-F59 HydrophobicContact CE2-CD1 4.47Å; F17-F59 AromaticContact CE2-CE1 3.52Å; F17-F59 HydrophobicContact CE2-CE1 3.52Å; F17-F59 HydrophobicContact CE2-CZ 4.2Å; F17-F59 HydrophobicContact CZ-CE1 4.48Å; M20-F59 HydrophobicContact CE-CE1 4.03Å; M20-F59 HydrophobicContact CE-CE2 3.98Å; M20-F59 HydrophobicContact CE-CZ 3.24Å; M20-F59 HydrophobicContact SD-CE1 4.43Å; M20-F59 HydrophobicContact SD-CE2 3.87Å; M20-F59 HydrophobicContact SD-CZ 3.65Å; G55-F59 VanDerWaalsContact O-CB 3.3Å; G55-F59 WeakPolarHBondContact O-CB 3.33Å; G55-F59 PolarHBondContact O-N 2.8Å; W56-F59 PolarHBondContact O-N 2.78Å; I57-F59 VanDerWaalsContact C-N 3.31Å; I57-F59 PolarHBondContact O-N 3.23Å; F59-L61 VanDerWaalsContact C-N 3.34Å; F59-L61 PolarHBondContact O-N 3.35Å; F59-F62 PolarHBondContact O-N 3.01Å; F59-N63 WeakPolarHBondContact CD1-ND2 3.4Å; F59-N63 WeakPolarHBondContact CD2-ND2 3.2Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.45Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.27Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.38Å; F59-N63 PolarHBondContact O-N 3.17Å; F59-N63 PolarHBondContact O-ND2 2.74Å
60	Q	65.6	Low	57.5	Low	77 Å²	77	93.5 Å²	93.5	36%	0.36	48%	0.484	S	S	.	.	H	α-helix	trans	-62.5	-42	174.3	-67.9	-68.2	4.2	0	0	111.5	W56 I57 N63 F64	W56-Q60 VanDerWaalsContact CZ2-NE2 3.31Å; W56-Q60 VanDerWaalsContact O-CG 3.31Å; W56-Q60 WeakPolarHBondContact O-CG 3.47Å; W56-Q60 PolarHBondContact O-N 3.11Å; I57-Q60 PolarHBondContact O-N 3.43Å; Q60-N63 PolarHBondContact O-N 3.27Å; Q60-F64 VanDerWaalsContact O-CB 3.25Å; Q60-F64 WeakPolarHBondContact O-CB 3.23Å; Q60-F64 PolarHBondContact O-N 3.18Å
61	L	61.1	Low	56.9	Low	85 Å²	85	96.4 Å²	96.4	45%	0.445	49%	0.493	S	S	.	.	H	α-helix	trans	-63.8	-43.1	175.5	-73.2	171.7	0	0	0	112	I57 E58 F59 F64 R65	I57-L61 HydrophobicContact CG2-CD1 3.96Å; I57-L61 HydrophobicContact CG2-CG 4.37Å; I57-L61 WeakPolarHBondContact O-CB 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.26Å; I57-L61 PolarHBondContact O-N 2.96Å; E58-L61 PolarHBondContact O-N 3.44Å; F59-L61 VanDerWaalsContact C-N 3.34Å; F59-L61 PolarHBondContact O-N 3.35Å; L61-F64 PolarHBondContact O-N 3.09Å; L61-R65 WeakPolarHBondContact O-CB 3.48Å; L61-R65 VanDerWaalsContact O-CG 3.28Å; L61-R65 WeakPolarHBondContact O-CG 3.49Å; L61-R65 PolarHBondContact O-N 2.96Å
62	F	60.4	Low	56.2	Low	120 Å²	120	96.3 Å²	96.3	53%	0.526	49%	0.493	S	S	.	.	H	α-helix	trans	-60.5	-47.4	176.3	177.3	-98.3	0	0	0	111.3	E58 F59 R65 R66	E58-F62 WeakPolarHBondContact O-CB 3.35Å; E58-F62 PolarHBondContact O-N 3.11Å; F59-F62 PolarHBondContact O-N 3.01Å; F62-R65 PolarHBondContact O-N 2.79Å; F62-R66 PolarHBondContact O-N 3.21Å
63	N	57.2	Low	55.3	Low	41 Å²	41	98.9 Å²	98.9	22%	0.219	51%	0.511	C	S	.	.	H	α-helix	trans	-66.6	-39.8	177.6	-73.1	-61.1	0	0	0	112.2	F59 Q60 R65 R66 C67	F59-N63 WeakPolarHBondContact CD1-ND2 3.4Å; F59-N63 WeakPolarHBondContact CD2-ND2 3.2Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.45Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.27Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.38Å; F59-N63 PolarHBondContact O-N 3.17Å; F59-N63 PolarHBondContact O-ND2 2.74Å; Q60-N63 PolarHBondContact O-N 3.27Å; N63-R65 PolarHBondContact O-N 3.07Å; N63-R66 PolarHBondContact O-N 3.18Å; N63-C67 WeakPolarHBondContact O-CB 3.5Å; N63-C67 PolarHBondContact O-N 3.07Å; N63-C67 PolarHBondContact O-SG 3.19Å; N63-C67 VanDerWaalsContact O-SG 3.42Å
64	F	58.7	Low	54.3	Low	109 Å²	109	107.2 Å²	107.2	48%	0.478	53%	0.533	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.7	-176.5	-96.8	0	0	0	111.6	Q60 L61 R66 C67 K68	Q60-F64 VanDerWaalsContact O-CB 3.25Å; Q60-F64 WeakPolarHBondContact O-CB 3.23Å; Q60-F64 PolarHBondContact O-N 3.18Å; L61-F64 PolarHBondContact O-N 3.09Å; F64-R66 VanDerWaalsContact C-N 3.31Å; F64-R66 PolarHBondContact O-N 3.41Å; F64-C67 PolarHBondContact O-N 2.94Å; F64-K68 HydrophobicContact CD1-CD 4.4Å; F64-K68 HydrophobicContact CE1-CD 3.67Å; F64-K68 HydrophobicContact CE1-CG 4.3Å; F64-K68 HydrophobicContact CE2-CD 4.03Å; F64-K68 VanDerWaalsContact CE2-CE 3.47Å; F64-K68 HydrophobicContact CE2-CG 4.4Å; F64-K68 HydrophobicContact CZ-CD 3.49Å; F64-K68 VanDerWaalsContact CZ-CD 3.49Å; F64-K68 HydrophobicContact CZ-CG 4.25Å; F64-K68 VanDerWaalsContact CZ-NZ 3.34Å; F64-K68 WeakPolarHBondContact O-CB 3.29Å; F64-K68 PolarHBondContact O-N 3.07Å
65	R	55.8	Low	53.4	Low	154 Å²	154	108.2 Å²	108.2	58%	0.581	55%	0.549	S	S	*	.	H	α-helix	trans	-60.2	-41.8	174.8	-72.9	175	-176.9	-179.8	2.2	111.6	L61 F62 N63 G69 I70	L61-R65 WeakPolarHBondContact O-CB 3.48Å; L61-R65 VanDerWaalsContact O-CG 3.28Å; L61-R65 WeakPolarHBondContact O-CG 3.49Å; L61-R65 PolarHBondContact O-N 2.96Å; F62-R65 PolarHBondContact O-N 2.79Å; N63-R65 PolarHBondContact O-N 3.07Å; R65-G69 PolarHBondContact O-N 2.94Å; R65-I70 PolarHBondContact O-N 2.91Å
66	R	55.2	Low	52.1	Low	192 Å²	192	109.9 Å²	109.9	73%	0.725	56%	0.559	S	S	*	*	H	α-helix	trans	-68.4	-40.4	177.8	-159.9	179.8	-176.8	161.7	4.6	112.8	F62 N63 F64 G69	F62-R66 PolarHBondContact O-N 3.21Å; N63-R66 PolarHBondContact O-N 3.18Å; F64-R66 VanDerWaalsContact C-N 3.31Å; F64-R66 PolarHBondContact O-N 3.41Å; R66-G69 PolarHBondContact O-N 2.63Å
67	C	52.9	Low	51	Low	112 Å²	112	109.8 Å²	109.8	76%	0.757	57%	0.573	S	S	*	*	H	α-helix	trans	-72.1	-31.3	178.5	-74.9	0	0	0	0	112.8	N63 F64 G69	N63-C67 WeakPolarHBondContact O-CB 3.5Å; N63-C67 PolarHBondContact O-N 3.07Å; N63-C67 PolarHBondContact O-SG 3.19Å; N63-C67 VanDerWaalsContact O-SG 3.42Å; F64-C67 PolarHBondContact O-N 2.94Å; C67-G69 VanDerWaalsContact C-N 3.32Å
68	K	50.7	Low	49.7	Very low	134 Å²	134	111.5 Å²	111.5	58%	0.583	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	4.7	176.7	-73.8	-154.7	172.8	-175.3	0	114.6	F64 I70	F64-K68 HydrophobicContact CD1-CD 4.4Å; F64-K68 HydrophobicContact CE1-CD 3.67Å; F64-K68 HydrophobicContact CE1-CG 4.3Å; F64-K68 HydrophobicContact CE2-CD 4.03Å; F64-K68 VanDerWaalsContact CE2-CE 3.47Å; F64-K68 HydrophobicContact CE2-CG 4.4Å; F64-K68 HydrophobicContact CZ-CD 3.49Å; F64-K68 VanDerWaalsContact CZ-CD 3.49Å; F64-K68 HydrophobicContact CZ-CG 4.25Å; F64-K68 VanDerWaalsContact CZ-NZ 3.34Å; F64-K68 WeakPolarHBondContact O-CB 3.29Å; F64-K68 PolarHBondContact O-N 3.07Å; K68-I70 HydrophobicContact CB-CD1 4.26Å; K68-I70 HydrophobicContact CB-CG1 4.07Å; K68-I70 PolarHBondContact O-N 3.22Å
69	G	47.4	Very low	48.6	Very low	56 Å²	56	109.9 Å²	109.9	58%	0.577	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.9	19.8	179	0	0	0	0	0	113.3	R65 R66 C67 L71	R65-G69 PolarHBondContact O-N 2.94Å; R66-G69 PolarHBondContact O-N 2.63Å; C67-G69 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 3.07Å
70	I	44.2	Very low	47.4	Very low	97 Å²	97	115 Å²	115	50%	0.497	62%	0.618	S	S	.	*			trans	-77.8	73.4	171	-51.1	176.6	0	0	0	105.6	R65 K68 A72	R65-I70 PolarHBondContact O-N 2.91Å; K68-I70 HydrophobicContact CB-CD1 4.26Å; K68-I70 HydrophobicContact CB-CG1 4.07Å; K68-I70 PolarHBondContact O-N 3.22Å; I70-A72 HydrophobicContact CG2-CB 4.19Å; I70-A72 PolarHBondContact O-N 2.92Å
71	L	42.3	Very low	46	Very low	161 Å²	161	119.3 Å²	119.3	84%	0.843	64%	0.638	S	S	*	*			trans	-54.7	82.3	145.8	-98.5	134	0	0	0	105.4	G69 D73	G69-L71 PolarHBondContact O-N 3.07Å; L71-D73 PolarHBondContact O-N 3.05Å
72	A	42.5	Very low	45	Very low	73 Å²	73	120.8 Å²	120.8	60%	0.603	66%	0.656	S	S	*	*			trans	-70.2	79.1	160.3	0	0	0	0	0	105.4	I70 R74	I70-A72 HydrophobicContact CG2-CB 4.19Å; I70-A72 PolarHBondContact O-N 2.92Å; A72-R74 PolarHBondContact O-N 2.91Å
73	D	37.7	Very low	44	Very low	138 Å²	138	122.5 Å²	122.5	74%	0.738	67%	0.671	S	S	*	*			trans	-62.5	73	158.4	-173.2	28.2	0	0	0	107.1	L71	L71-D73 PolarHBondContact O-N 3.05Å
74	R	38.7	Very low	43.3	Very low	213 Å²	213	123.8 Å²	123.8	80%	0.804	69%	0.694	S	S	*	*			trans	-145.7	72.6	176.6	-75.3	-162.3	172.7	177.2	-3.4	108.2	A72 A76	A72-R74 PolarHBondContact O-N 2.91Å; R74-A76 HydrophobicContact CB-CB 4.01Å; R74-A76 PolarHBondContact O-N 3.19Å
75	S	38.1	Very low	42.5	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	71%	0.709	S	S	*	*				-44.3	60.7	121.4	-39.4	0	0	0	0	110.3	S77	S75-S77 PolarHBondContact O-N 3.23Å
76	A	36	Very low	41.9	Very low	69 Å²	69	126.1 Å²	126.1	57%	0.57	72%	0.723	S	S	*	*			trans	-84.3	76.9	168.1	0	0	0	0	0	104.8	R74 V78	R74-A76 HydrophobicContact CB-CB 4.01Å; R74-A76 PolarHBondContact O-N 3.19Å; A76-V78 PolarHBondContact O-N 3.35Å; A76-V78 VanDerWaalsContact O-N 3.17Å
77	S	38.3	Very low	41.3	Very low	90 Å²	90	122.2 Å²	122.2	63%	0.629	72%	0.72	S	S	*	*			trans	-32.5	120.7	153.3	42.1	0	0	0	0	108.4	S75 S79	S75-S77 PolarHBondContact O-N 3.23Å; S77-S79 PolarHBondContact O-N 3.47Å
78	V	35.8	Very low	40.8	Very low	134 Å²	134	123.8 Å²	123.8	81%	0.812	73%	0.726	S	S	*	*			trans	-64.4	75.1	164	-179.4	0	0	0	0	105.9	A76 L80	A76-V78 PolarHBondContact O-N 3.35Å; A76-V78 VanDerWaalsContact O-N 3.17Å; V78-L80 VanDerWaalsContact C-N 3.27Å; V78-L80 HydrophobicContact CG1-CG 4.48Å; V78-L80 PolarHBondContact O-N 3.26Å; V78-L80 VanDerWaalsContact O-N 3.11Å
79	S	38.2	Very low	40.3	Very low	88 Å²	88	121.9 Å²	121.9	62%	0.615	73%	0.73	S	S	*	*			trans	-75.6	95.1	163.3	-75.4	0	0	0	0	104.5	S77 Q81	S77-S79 PolarHBondContact O-N 3.47Å; S79-Q81 PolarHBondContact O-N 3.27Å
80	L	38	Very low	40.2	Very low	158 Å²	158	126 Å²	126	83%	0.827	74%	0.739	S	S	*	*			trans	-52.7	90.4	155.5	-79.8	152.7	0	0	0	106.2	V78 S82	V78-L80 VanDerWaalsContact C-N 3.27Å; V78-L80 HydrophobicContact CG1-CG 4.48Å; V78-L80 PolarHBondContact O-N 3.26Å; V78-L80 VanDerWaalsContact O-N 3.11Å; L80-S82 PolarHBondContact O-N 3.26Å
81	Q	37.9	Very low	40.2	Very low	167 Å²	167	131.9 Å²	131.9	78%	0.78	76%	0.76	S	S	*	*			trans	-62.9	97.9	162.2	-74.1	-177.6	-66	0	0	104.7	S79 D83	S79-Q81 PolarHBondContact O-N 3.27Å; Q81-D83 VanDerWaalsContact C-N 3.29Å; Q81-D83 PolarHBondContact O-N 3.35Å; Q81-D83 VanDerWaalsContact O-N 3.07Å
82	S	39.5	Very low	40.2	Very low	116 Å²	116	129 Å²	129	81%	0.811	75%	0.754	S	S	*	*			trans	-71.2	98.6	162.3	67.1	0	0	0	0	105.8	L80 G84	L80-S82 PolarHBondContact O-N 3.26Å; S82-G84 PolarHBondContact O-N 3.14Å
83	D	40.2	Very low	40.4	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	76%	0.764	S	S	*	*			trans	-54.6	116.4	168.1	-63.6	-47.1	0	0	0	108.7	Q81	Q81-D83 VanDerWaalsContact C-N 3.29Å; Q81-D83 PolarHBondContact O-N 3.35Å; Q81-D83 VanDerWaalsContact O-N 3.07Å
84	G	40.6	Very low	40.8	Very low	69 Å²	69	130 Å²	130	71%	0.711	77%	0.765	S	S	*	*			trans	163.1	43.1	169.8	0	0	0	0	0	117.9	S82	S82-G84 PolarHBondContact O-N 3.14Å
85	E	42.1	Very low	41	Very low	171 Å²	171	129.4 Å²	129.4	80%	0.799	77%	0.768	S	S	*	*			trans	-166.1	70	151.3	-119.3	174.7	155.2	0	0	112.2	T87	E85-T87 VanDerWaalsContact C-N 3.27Å; E85-T87 HydrophobicContact CG-CG2 4.47Å; E85-T87 PolarHBondContact O-N 3.48Å
86	T	43.5	Very low	40.8	Very low	140 Å²	140	129.6 Å²	129.6	86%	0.859	76%	0.764	S	S	*	*			trans	-80.8	81.7	157.1	27.9	0	0	0	0	108.7	V88	T86-V88 PolarHBondContact O-N 3.1Å
87	T	43.4	Very low	41.2	Very low	111 Å²	111	133 Å²	133	68%	0.681	78%	0.778	S	S	*	*			trans	-69.7	100.5	160.4	36.6	0	0	0	0	108.1	E85 S89	E85-T87 VanDerWaalsContact C-N 3.27Å; E85-T87 HydrophobicContact CG-CG2 4.47Å; E85-T87 PolarHBondContact O-N 3.48Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 2.98Å
88	V	41.1	Very low	41.8	Very low	145 Å²	145	142.4 Å²	142.4	88%	0.879	81%	0.808	S	S	*	*			trans	-74.7	87.7	171.7	-174.4	0	0	0	0	107.7	T86	T86-V88 PolarHBondContact O-N 3.1Å
89	S	42	Very low	42.1	Very low	94 Å²	94	142.8 Å²	142.8	66%	0.657	81%	0.807	S	S	*	*			trans	-132.7	104.5	163.4	-174.1	0	0	0	0	108.2	T87	T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 2.98Å
90	D	44.3	Very low	42.3	Very low	142 Å²	142	145.7 Å²	145.7	76%	0.759	82%	0.817	S	S	*	*			trans	-176.8	95	130	-89.1	-21.6	0	0	0	108.5	S92	D90-S92 PolarHBondContact O-N 3.17Å
91	K	44	Very low	42.6	Very low	220 Å²	220	145 Å²	145	96%	0.957	82%	0.817	S	S	*	*			trans	-66.4	80.6	154.6	-76.4	-173.7	175.3	179.2	0	107.5
92	S	43.6	Very low	42.8	Very low	102 Å²	102	143.7 Å²	143.7	71%	0.713	82%	0.819	S	S	*	*			trans	-88.7	128.5	156.1	79.6	0	0	0	0	108	D90	D90-S92 PolarHBondContact O-N 3.17Å
93	S	45.3	Very low	43	Very low	117 Å²	117	145.4 Å²	145.4	82%	0.818	82%	0.82	S	S	*	*			trans	-137.3	130.5	162.2	-74.7	0	0	0	0	108.3
94	P	46.6	Very low	43.2	Very low	114 Å²	114	144.7 Å²	144.7	74%	0.74	82%	0.819	S	S	*	*			trans	-99.9	155.2	-164.1	38.5	-34.2	0	0	0	112.5
95	K	42.8	Very low	43.4	Very low	201 Å²	201	150.1 Å²	150.1	87%	0.874	83%	0.826	S	S	*	*			trans	-176.2	103.1	145	-113.1	168.5	174.9	175.5	0	109
96	T	34.5	Very low	43.5	Very low	118 Å²	118	148.5 Å²	148.5	72%	0.724	83%	0.828	S	S	*	*				58.1	110.5	81.6	-42.1	0	0	0	0	112.5
97	T	43.4	Very low	43.5	Very low	140 Å²	140	149.3 Å²	149.3	86%	0.859	83%	0.826	S	S	*	*				-172.6	138.1	115.1	21.6	0	0	0	0	112
98	K	51.3	Low	43.5	Very low	287 Å²	287	152.7 Å²	152.7	100%	1.248	84%	0.839	S	S	*	*			trans	-10.1	0	170.6	-79.3	177	172.6	179.1	0	119.7

Retrieved 98 of 98 residues in 30.8 ms (Link to these results)

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