A0A044RXE4_ONCVO Loading...

DNA_pol_E_B domain-containing protein

AlphaFold DB , UniProt , Accession A0A044RXE4, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 123 aa.

						>A0A044RXE4_ONCVO|A0A044RXE4
MKFFKERDIVERIVRLVVAGESVAITEQGREFTTAARYLIKNEECPNVECIAHMDKFLSKISSFLEVDVMPGLGDPSTYLMPQQPIHRAVFQMGSKHGKMLNLATNPYYFSLEGVHIMGTSGE
					

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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	61.5	Low	85.1	Confident	178 Å²	178	132.1 Å²	132.1	88%	0.877	61%	0.612	S	S	*	*				0	-42.9	0	-163	169	160.3	0	0	113.4	F3 F4	M1-F3 PolarHBondContact O-N 3.2Å; M1-F4 PolarHBondContact O-N 3.13Å
2	K	73	Confident	85.9	Confident	155 Å²	155	135.5 Å²	135.5	67%	0.674	62%	0.616	S	S	*	*	H	α-helix	trans	-55.6	-47	179.6	-164.5	-179.8	180	-171.8	0	114.3	F4 K5 E6	K2-F4 VanDerWaalsContact C-N 3.31Å; K2-F4 PolarHBondContact O-N 3.38Å; K2-K5 PolarHBondContact O-N 2.88Å; K2-K5 VanDerWaalsContact O-N 3.13Å; K2-E6 VanDerWaalsContact CE-OE1 3.22Å; K2-E6 WeakPolarHBondContact CE-OE1 3.21Å; K2-E6 PolarHBondContact O-N 3.42Å
3	F	76.4	Confident	86.6	Confident	156 Å²	156	131.5 Å²	131.5	68%	0.684	60%	0.602	S	S	*	*	H	α-helix	trans	-57.1	-35.3	179.9	-72.8	-71.1	0	0	0	115.3	M1 R7	M1-F3 PolarHBondContact O-N 3.2Å; F3-R7 WeakPolarHBondContact O-CG 3.34Å; F3-R7 PolarHBondContact O-N 2.78Å; F3-R7 VanDerWaalsContact O-N 3.16Å
4	F	81.7	Confident	87.1	Confident	154 Å²	154	128.4 Å²	128.4	68%	0.675	60%	0.597	S	S	*	*	H	α-helix	trans	-69.9	-37.1	179.2	-77.6	-80.3	0	0	0	111.9	M1 K2 R7 D8	M1-F4 PolarHBondContact O-N 3.13Å; K2-F4 VanDerWaalsContact C-N 3.31Å; K2-F4 PolarHBondContact O-N 3.38Å; F4-R7 PolarHBondContact O-N 2.65Å; F4-D8 PolarHBondContact O-N 2.89Å
5	K	85.5	Confident	87.7	Confident	135 Å²	135	124.2 Å²	124.2	59%	0.587	57%	0.573	S	S	*	*	H	α-helix	trans	-67.2	-40	176.8	-68	-171.4	174.5	-171.9	0	111.8	K2 I9	K2-K5 PolarHBondContact O-N 2.88Å; K2-K5 VanDerWaalsContact O-N 3.13Å; K5-I9 WeakPolarHBondContact O-CG1 3.32Å; K5-I9 PolarHBondContact O-N 2.96Å
6	E	91.4	Very high	88.3	Confident	84 Å²	84	119.9 Å²	119.9	39%	0.393	56%	0.556	S	S	.	*	H	α-helix	trans	-64.7	-40.5	177.4	-70.5	168.9	179.7	0	0	111.5	K2 I9 V10	K2-E6 VanDerWaalsContact CE-OE1 3.22Å; K2-E6 WeakPolarHBondContact CE-OE1 3.21Å; K2-E6 PolarHBondContact O-N 3.42Å; E6-I9 PolarHBondContact O-N 2.9Å; E6-V10 VanDerWaalsContact O-CG2 3.31Å; E6-V10 WeakPolarHBondContact O-CG2 3.48Å; E6-V10 PolarHBondContact O-N 3.32Å
7	R	91.9	Very high	88.8	Confident	162 Å²	162	116.3 Å²	116.3	61%	0.611	54%	0.544	S	S	*	.	H	α-helix	trans	-62	-46.3	176.2	-74.7	-178.3	-178.3	-176.5	-0.4	112.9	F3 F4 I9 V10 E11	F3-R7 WeakPolarHBondContact O-CG 3.34Å; F3-R7 PolarHBondContact O-N 2.78Å; F3-R7 VanDerWaalsContact O-N 3.16Å; F4-R7 PolarHBondContact O-N 2.65Å; R7-I9 VanDerWaalsContact C-N 3.25Å; R7-I9 PolarHBondContact O-N 3.41Å; R7-V10 PolarHBondContact O-N 2.77Å; R7-V10 VanDerWaalsContact O-N 3.13Å; R7-E11 WeakPolarHBondContact O-CG 3.31Å; R7-E11 PolarHBondContact O-N 2.8Å
8	D	94	Very high	89.3	Confident	70 Å²	70	111.3 Å²	111.3	37%	0.374	52%	0.522	S	S	.	.	H	α-helix	trans	-61.3	-34.3	179.1	-175.8	40.4	0	0	0	112.3	F4 R12	F4-D8 PolarHBondContact O-N 2.89Å; D8-R12 WeakPolarHBondContact O-CD 3.37Å; D8-R12 WeakPolarHBondContact O-CG 3.15Å; D8-R12 IonicContact OD1-CZ 3.65Å; D8-R12 VanDerWaalsContact OD1-CZ 3.25Å; D8-R12 IonicContact OD1-NE 3.75Å; D8-R12 PolarHBondContact OD1-NE 2.92Å; D8-R12 VanDerWaalsContact OD1-NE 3.12Å; D8-R12 IonicContact OD1-NH2 3.9Å; D8-R12 PolarHBondContact OD1-NH2 3.39Å; D8-R12 IonicContact OD2-CZ 3.21Å; D8-R12 IonicContact OD2-NE 2.92Å; D8-R12 IonicContact OD2-NH2 3.43Å; D8-R12 PolarHBondContact OD2-NH2 3.12Å
9	I	94	Very high	89.7	Confident	109 Å²	109	108.2 Å²	108.2	56%	0.559	52%	0.518	S	S	*	.	H	α-helix	trans	-68.1	-48.3	173.5	-65.8	165.9	0	0	0	110.4	K5 E6 R7 E11 R12	K5-I9 WeakPolarHBondContact O-CG1 3.32Å; K5-I9 PolarHBondContact O-N 2.96Å; E6-I9 PolarHBondContact O-N 2.9Å; R7-I9 VanDerWaalsContact C-N 3.25Å; R7-I9 PolarHBondContact O-N 3.41Å; I9-E11 VanDerWaalsContact C-N 3.33Å; I9-E11 PolarHBondContact O-N 3.06Å; I9-R12 PolarHBondContact O-N 3.43Å; I9-R12 VanDerWaalsContact O-N 3.13Å
10	V	93.2	Very high	89.9	Confident	96 Å²	96	103.4 Å²	103.4	58%	0.582	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-38.6	-176.5	172.3	0	0	0	0	112	E6 R7 R12 I13	E6-V10 VanDerWaalsContact O-CG2 3.31Å; E6-V10 WeakPolarHBondContact O-CG2 3.48Å; E6-V10 PolarHBondContact O-N 3.32Å; R7-V10 PolarHBondContact O-N 2.77Å; R7-V10 VanDerWaalsContact O-N 3.13Å; V10-R12 PolarHBondContact O-N 3.21Å; V10-I13 PolarHBondContact O-N 2.8Å
11	E	93.4	Very high	89.9	Confident	154 Å²	154	103.1 Å²	103.1	72%	0.72	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.9	177.7	-73.8	174.2	-171.2	0	0	113.5	R7 I9	R7-E11 WeakPolarHBondContact O-CG 3.31Å; R7-E11 PolarHBondContact O-N 2.8Å; I9-E11 VanDerWaalsContact C-N 3.33Å; I9-E11 PolarHBondContact O-N 3.06Å
12	R	94.4	Very high	91	Very high	173 Å²	173	95.1 Å²	95.1	65%	0.653	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.3	179.3	-62.4	175.8	-166.4	-172.4	5	113.5	D8 I9 V10 V14	D8-R12 WeakPolarHBondContact O-CD 3.37Å; D8-R12 WeakPolarHBondContact O-CG 3.15Å; D8-R12 IonicContact OD1-CZ 3.65Å; D8-R12 VanDerWaalsContact OD1-CZ 3.25Å; D8-R12 IonicContact OD1-NE 3.75Å; D8-R12 PolarHBondContact OD1-NE 2.92Å; D8-R12 VanDerWaalsContact OD1-NE 3.12Å; D8-R12 IonicContact OD1-NH2 3.9Å; D8-R12 PolarHBondContact OD1-NH2 3.39Å; D8-R12 IonicContact OD2-CZ 3.21Å; D8-R12 IonicContact OD2-NE 2.92Å; D8-R12 IonicContact OD2-NH2 3.43Å; D8-R12 PolarHBondContact OD2-NH2 3.12Å; I9-R12 PolarHBondContact O-N 3.43Å; I9-R12 VanDerWaalsContact O-N 3.13Å; V10-R12 PolarHBondContact O-N 3.21Å; R12-V14 PolarHBondContact O-N 2.72Å
13	I	95.5	Very high	91.4	Very high	84 Å²	84	87.9 Å²	87.9	43%	0.431	43%	0.426	S	S	.	.			trans	-75.6	119.1	177.2	-60.9	174.4	0	0	0	108.6	V10 L65	V10-I13 PolarHBondContact O-N 2.8Å; I13-L65 HydrophobicContact CG2-CD1 4.24Å
14	V	94.3	Very high	91.1	Very high	88 Å²	88	83 Å²	83	53%	0.533	42%	0.415	S	S	.	.			trans	-101.7	-24.2	-177.8	-61.4	0	0	0	0	113.6	R12 L112	R12-V14 PolarHBondContact O-N 2.72Å; V14-L112 HydrophobicContact CG2-CD1 4.28Å; V14-L112 HydrophobicContact CG2-CD2 3.65Å
15	R	95.8	Very high	90.5	Very high	65 Å²	65	79.9 Å²	79.9	25%	0.245	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	142.4	-172.3	-172.7	172.5	-85	-152.8	8.8	111.5	E66 D68	R15-E66 CarbonylContact C-O 3.28Å; R15-E66 VanDerWaalsContact CA-O 3.31Å; R15-E66 WeakPolarHBondContact CA-O 3.38Å; R15-E66 HydrophobicContact CG-CB 4.34Å; R15-E66 WeakPolarHBondContact CG-O 3.46Å; R15-E66 IonicContact CZ-OE2 3.92Å; R15-E66 VanDerWaalsContact CZ-OE2 3.31Å; R15-E66 IonicContact NE-OE2 3.12Å; R15-E66 PolarHBondContact NE-OE2 2.85Å; R15-E66 IonicContact NH2-OE2 2.65Å; R15-E66 PolarHBondContact NH2-OE2 2.84Å; R15-D68 VanDerWaalsContact CD-OD2 3.31Å; R15-D68 WeakPolarHBondContact CD-OD2 3.38Å; R15-D68 IonicContact CZ-OD2 3.31Å; R15-D68 IonicContact NE-OD2 2.84Å; R15-D68 IonicContact NH1-OD1 3.58Å; R15-D68 IonicContact NH1-OD2 2.72Å; R15-D68 PolarHBondContact NH1-OD2 3.46Å
16	L	96.9	Very high	89.9	Confident	56 Å²	56	75.6 Å²	75.6	29%	0.293	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.9	172	172.9	65.3	0	0	0	109.1	V18 F57 I61 L65 E66 V67 D68	L16-V18 HydrophobicContact CD2-CG2 4.41Å; L16-V18 HydrophobicContact CG-CG2 4.37Å; L16-F57 HydrophobicContact CD2-CE1 4.37Å; L16-F57 HydrophobicContact CD2-CZ 4.35Å; L16-I61 HydrophobicContact CD2-CG2 3.91Å; L16-L65 HydrophobicContact CB-CD1 3.82Å; L16-E66 PolarHBondContact N-O 3.32Å; L16-V67 HydrophobicContact CB-CG1 4.44Å; L16-V67 HydrophobicContact CB-CG2 4.38Å; L16-V67 HydrophobicContact CD2-CG1 4.2Å; L16-V67 HydrophobicContact CD2-CG2 4.49Å; L16-V67 HydrophobicContact CG-CG1 4.35Å; L16-V67 CarbonylContact O-C 3.36Å; L16-V67 WeakPolarHBondContact O-CA 3.25Å; L16-D68 PolarHBondContact O-N 3Å
17	V	97.3	Very high	89.1	Confident	58 Å²	58	78 Å²	78	35%	0.352	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.9	172.3	-175.6	0	0	0	0	108.6	D68 M70 F110	V17-D68 CarbonylContact C-O 3.49Å; V17-D68 WeakPolarHBondContact CA-O 3.5Å; V17-D68 HydrophobicContact CG1-CB 4.44Å; V17-D68 HydrophobicContact CG2-CB 4.26Å; V17-M70 HydrophobicContact CG1-SD 4.29Å; V17-F110 HydrophobicContact CG2-CE1 3.95Å; V17-F110 HydrophobicContact CG2-CZ 3.87Å
18	V	96.9	Very high	88.2	Confident	26 Å²	26	76.5 Å²	76.5	16%	0.158	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.3	172.1	-177.7	0	0	0	0	107.7	L16 G20 V67 D68 V69 M70	L16-V18 HydrophobicContact CD2-CG2 4.41Å; L16-V18 HydrophobicContact CG-CG2 4.37Å; V18-G20 PolarHBondContact O-N 2.75Å; V18-V67 HydrophobicContact CG2-CG1 4.5Å; V18-D68 PolarHBondContact N-O 2.74Å; V18-V69 HydrophobicContact CB-CG1 4.29Å; V18-V69 HydrophobicContact CB-CG2 4.29Å; V18-V69 HydrophobicContact CG1-CG1 4.44Å; V18-V69 HydrophobicContact CG2-CG2 4.41Å; V18-M70 PolarHBondContact O-N 3.16Å
19	A	96.4	Very high	87.3	Confident	53 Å²	53	73.2 Å²	73.2	44%	0.438	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	73.8	-173.9	0	0	0	0	0	111.6	M70	A19-M70 HydrophobicContact CB-SD 4.25Å
20	G	93.7	Very high	86.4	Confident	12 Å²	12	75.3 Å²	75.3	12%	0.124	38%	0.384	C	S	.	.	S	Bend	trans	69.4	-179.8	173.4	0	0	0	0	0	116.3	V18 S22 M70 S121	V18-G20 PolarHBondContact O-N 2.75Å; G20-S22 PolarHBondContact O-N 2.98Å; G20-M70 WeakPolarHBondContact CA-O 3.25Å; G20-M70 PolarHBondContact N-O 3.22Å; G20-M70 VanDerWaalsContact N-O 3.1Å; G20-S121 WeakPolarHBondContact CA-OG 3.38Å; G20-S121 PolarHBondContact N-OG 3.36Å
21	E	90.3	Very high	85.8	Confident	97 Å²	97	76.7 Å²	76.7	45%	0.453	38%	0.384	S	S	.	.			trans	48.8	42.2	-174.7	-149.8	62.4	-156.9	0	0	112.2	V23 G74 D75	E21-V23 PolarHBondContact O-N 2.91Å; E21-G74 WeakPolarHBondContact OE1-CA 3.02Å; E21-G74 PolarHBondContact OE2-N 3.23Å; E21-D75 PolarHBondContact N-OD2 3.14Å
22	S	84.9	Confident	85	Confident	11 Å²	11	71.2 Å²	71.2	8%	0.077	36%	0.358	C	S	.	.			trans	-68.7	-30.4	-178.7	-64.9	0	0	0	0	111.4	G20 M54 D75	G20-S22 PolarHBondContact O-N 2.98Å; S22-M54 WeakPolarHBondContact O-CE 3.33Å; S22-D75 WeakPolarHBondContact CA-OD1 3.38Å; S22-D75 VanDerWaalsContact CB-OD1 3.3Å; S22-D75 WeakPolarHBondContact CB-OD1 3.33Å; S22-D75 PolarHBondContact N-OD1 2.83Å; S22-D75 PolarHBondContact N-OD2 3.1Å; S22-D75 VanDerWaalsContact N-OD2 3.14Å
23	V	80.6	Confident	84.2	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.012	36%	0.356	C	S	.	.	S	Bend	trans	-117.8	104.5	175	-173.8	0	0	0	0	107.5	E21 I25 N47 C50 I51 G74 D75	E21-V23 PolarHBondContact O-N 2.91Å; V23-I25 PolarHBondContact O-N 3.08Å; V23-N47 HydrophobicContact CG1-CB 4.12Å; V23-C50 HydrophobicContact CG1-CB 3.95Å; V23-I51 HydrophobicContact CB-CG1 4.38Å; V23-I51 HydrophobicContact CG1-CG1 3.95Å; V23-I51 HydrophobicContact CG2-CD1 4.42Å; V23-I51 HydrophobicContact CG2-CG1 3.48Å; V23-I51 VanDerWaalsContact CG2-CG1 3.48Å; V23-G74 CarbonylContact O-C 3.55Å; V23-D75 PolarHBondContact N-OD1 3.22Å
24	A	71.7	Confident	83.7	Confident	54 Å²	54	68.9 Å²	68.9	45%	0.446	37%	0.367	S	S	.	.			trans	-65.4	130.1	175.8	0	0	0	0	0	109.7	T26	A24-T26 PolarHBondContact O-N 3.24Å
25	I	68.9	Low	83.1	Confident	89 Å²	89	66.2 Å²	66.2	46%	0.456	35%	0.354	S	S	.	.			trans	-70.8	102.3	165.9	-58.3	175.9	0	0	0	107.1	V23 R30	V23-I25 PolarHBondContact O-N 3.08Å; I25-R30 HydrophobicContact CG2-CB 4.02Å
26	T	71.5	Confident	82.6	Confident	45 Å²	45	65 Å²	65	28%	0.276	36%	0.358	S	S	.	.			trans	-67.6	151.9	169.2	62	0	0	0	0	109.3	A24 Q28 G29 R30	A24-T26 PolarHBondContact O-N 3.24Å; T26-Q28 PolarHBondContact O-N 3.39Å; T26-G29 WeakPolarHBondContact O-CA 3.31Å; T26-G29 PolarHBondContact O-N 3.14Å; T26-G29 PolarHBondContact OG1-N 3.18Å; T26-R30 PolarHBondContact O-N 3.12Å
27	E	76.1	Confident	81.8	Confident	134 Å²	134	73 Å²	73	63%	0.626	38%	0.384	S	S	*	.	H	α-helix	trans	-52.1	-39.5	171.9	-71	-66	160.8	0	0	110.7	G29 R30 E31	E27-G29 PolarHBondContact O-N 2.99Å; E27-R30 WeakPolarHBondContact O-CB 3.48Å; E27-R30 PolarHBondContact O-N 3.38Å; E27-E31 WeakPolarHBondContact O-CG 3.41Å; E27-E31 PolarHBondContact O-N 2.89Å
28	Q	73.2	Confident	81.2	Confident	131 Å²	131	78.9 Å²	78.9	61%	0.612	40%	0.402	S	S	*	.	H	α-helix	trans	-60.8	-42	173.3	-64.9	168.5	-16.5	0	0	112.5	T26 R30 E31 F32 P46	T26-Q28 PolarHBondContact O-N 3.39Å; Q28-R30 VanDerWaalsContact C-N 3.34Å; Q28-E31 PolarHBondContact O-N 3.4Å; Q28-F32 VanDerWaalsContact O-CB 3.24Å; Q28-F32 WeakPolarHBondContact O-CB 3.3Å; Q28-F32 PolarHBondContact O-N 2.8Å; Q28-P46 HydrophobicContact CB-CB 4.43Å; Q28-P46 HydrophobicContact CB-CG 3.96Å
29	G	74.6	Confident	80.6	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-63	-40	174.1	0	0	0	0	0	112.1	T26 E27 F32 T33	T26-G29 WeakPolarHBondContact O-CA 3.31Å; T26-G29 PolarHBondContact O-N 3.14Å; T26-G29 PolarHBondContact OG1-N 3.18Å; E27-G29 PolarHBondContact O-N 2.99Å; G29-F32 WeakPolarHBondContact O-CB 3.46Å; G29-F32 PolarHBondContact O-N 2.92Å; G29-T33 VanDerWaalsContact O-CG2 3.32Å; G29-T33 WeakPolarHBondContact O-CG2 3.48Å; G29-T33 PolarHBondContact O-N 2.95Å; G29-T33 PolarHBondContact O-OG1 2.9Å
30	R	75.9	Confident	80	Confident	153 Å²	153	81.3 Å²	81.3	58%	0.577	41%	0.406	S	S	*	.	H	α-helix	trans	-66.1	-45.2	175.5	-168.7	-180	-177.8	177.3	2	111.8	I25 T26 E27 Q28 F32 T33 T34	I25-R30 HydrophobicContact CG2-CB 4.02Å; T26-R30 PolarHBondContact O-N 3.12Å; E27-R30 WeakPolarHBondContact O-CB 3.48Å; E27-R30 PolarHBondContact O-N 3.38Å; Q28-R30 VanDerWaalsContact C-N 3.34Å; R30-F32 VanDerWaalsContact C-N 3.32Å; R30-F32 PolarHBondContact O-N 3.19Å; R30-T33 WeakPolarHBondContact CA-OG1 3.45Å; R30-T33 PolarHBondContact O-N 3.42Å; R30-T33 PolarHBondContact O-OG1 2.56Å; R30-T34 WeakPolarHBondContact O-CG2 3.33Å; R30-T34 PolarHBondContact O-N 2.82Å; R30-T34 PolarHBondContact O-OG1 3.18Å
31	E	78.7	Confident	79.3	Confident	126 Å²	126	88.9 Å²	88.9	59%	0.589	44%	0.435	S	S	*	.	H	α-helix	trans	-59.2	-44.6	172.9	-73.2	176.7	177.2	0	0	110.7	E27 Q28 T33 T34 A35	E27-E31 WeakPolarHBondContact O-CG 3.41Å; E27-E31 PolarHBondContact O-N 2.89Å; Q28-E31 PolarHBondContact O-N 3.4Å; E31-T33 VanDerWaalsContact C-N 3.33Å; E31-T33 PolarHBondContact O-N 2.85Å; E31-T34 PolarHBondContact O-N 2.84Å; E31-T34 VanDerWaalsContact O-N 3.15Å; E31-T34 PolarHBondContact O-OG1 2.83Å; E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 2.81Å
32	F	78.4	Confident	78.9	Confident	38 Å²	38	91.7 Å²	91.7	17%	0.167	45%	0.453	C	S	.	.	H	α-helix	trans	-59.7	-41.3	176.3	-168.8	-84.2	0	0	0	112.2	Q28 G29 R30 T34 I40 E43 C45	Q28-F32 VanDerWaalsContact O-CB 3.24Å; Q28-F32 WeakPolarHBondContact O-CB 3.3Å; Q28-F32 PolarHBondContact O-N 2.8Å; G29-F32 WeakPolarHBondContact O-CB 3.46Å; G29-F32 PolarHBondContact O-N 2.92Å; R30-F32 VanDerWaalsContact C-N 3.32Å; R30-F32 PolarHBondContact O-N 3.19Å; F32-T34 VanDerWaalsContact C-N 3.34Å; F32-T34 PolarHBondContact O-N 3.18Å; F32-I40 HydrophobicContact CD1-CD1 4.07Å; F32-I40 HydrophobicContact CD2-CB 4.16Å; F32-I40 HydrophobicContact CD2-CD1 4.48Å; F32-I40 HydrophobicContact CD2-CG2 4.04Å; F32-I40 HydrophobicContact CE1-CD1 3.84Å; F32-I40 HydrophobicContact CE2-CB 3.78Å; F32-I40 HydrophobicContact CE2-CD1 4.28Å; F32-I40 HydrophobicContact CE2-CG2 4.17Å; F32-I40 HydrophobicContact CG-CD1 4.38Å; F32-I40 HydrophobicContact CZ-CB 4.12Å; F32-I40 HydrophobicContact CZ-CD1 3.95Å; F32-I40 HydrophobicContact CZ-CG1 4.38Å; F32-I40 VanDerWaalsContact O-CD1 3.28Å; F32-I40 WeakPolarHBondContact O-CD1 3.43Å; F32-E43 HydrophobicContact CD2-CB 4.41Å; F32-E43 HydrophobicContact CE2-CB 3.67Å; F32-E43 WeakPolarHBondContact CE2-O 3.47Å; F32-E43 VanDerWaalsContact CZ-O 3.3Å; F32-E43 WeakPolarHBondContact CZ-O 3.39Å; F32-C45 HydrophobicContact CD1-CB 3.81Å; F32-C45 HydrophobicContact CE1-CB 3.54Å; F32-C45 HydrophobicContact CG-CB 4.47Å; F32-C45 HydrophobicContact CZ-CB 3.96Å
33	T	77.7	Confident	78.6	Confident	98 Å²	98	96.9 Å²	96.9	60%	0.601	48%	0.476	S	S	*	.	H	α-helix	trans	-71.5	-25.7	177.8	59	0	0	0	0	114.1	G29 R30 E31	G29-T33 VanDerWaalsContact O-CG2 3.32Å; G29-T33 WeakPolarHBondContact O-CG2 3.48Å; G29-T33 PolarHBondContact O-N 2.95Å; G29-T33 PolarHBondContact O-OG1 2.9Å; R30-T33 WeakPolarHBondContact CA-OG1 3.45Å; R30-T33 PolarHBondContact O-N 3.42Å; R30-T33 PolarHBondContact O-OG1 2.56Å; E31-T33 VanDerWaalsContact C-N 3.33Å; E31-T33 PolarHBondContact O-N 2.85Å
34	T	83	Confident	78.4	Confident	110 Å²	110	105 Å²	105	68%	0.675	51%	0.514	S	S	*	.	H	α-helix	trans	-96.4	-19.6	-179.6	53.8	0	0	0	0	113.1	R30 E31 F32	R30-T34 WeakPolarHBondContact O-CG2 3.33Å; R30-T34 PolarHBondContact O-N 2.82Å; R30-T34 PolarHBondContact O-OG1 3.18Å; E31-T34 PolarHBondContact O-N 2.84Å; E31-T34 VanDerWaalsContact O-N 3.15Å; E31-T34 PolarHBondContact O-OG1 2.83Å; F32-T34 VanDerWaalsContact C-N 3.34Å; F32-T34 PolarHBondContact O-N 3.18Å
35	A	83.3	Confident	78.6	Confident	32 Å²	32	104 Å²	104	26%	0.264	50%	0.504	S	S	.	.	S	Bend	trans	-64.7	145.3	178.2	0	0	0	0	0	112	E31 R37 I40	E31-A35 WeakPolarHBondContact O-CB 3.43Å; E31-A35 PolarHBondContact O-N 2.81Å; A35-R37 PolarHBondContact O-N 2.85Å; A35-I40 HydrophobicContact CB-CG2 3.61Å
36	A	84.3	Confident	78.9	Confident	39 Å²	39	101.6 Å²	101.6	32%	0.322	49%	0.494	S	S	.	.			trans	-64.8	131.6	176.4	0	0	0	0	0	110.3	Y38 L39	A36-Y38 HydrophobicContact CB-CD1 3.59Å; A36-Y38 HydrophobicContact CB-CE1 3.2Å; A36-Y38 PolarHBondContact O-N 3.13Å; A36-L39 HydrophobicContact CB-CD1 4.16Å; A36-L39 HydrophobicContact CB-CG 4.45Å; A36-L39 WeakPolarHBondContact O-CB 3.49Å; A36-L39 PolarHBondContact O-N 3.06Å
37	R	80.6	Confident	79.3	Confident	224 Å²	224	100.7 Å²	100.7	85%	0.845	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-25.9	-173.2	-61.3	-177.5	81.7	-169.2	7.1	114.9	A35 L39 K41	A35-R37 PolarHBondContact O-N 2.85Å; R37-L39 VanDerWaalsContact C-N 3.31Å; R37-K41 PolarHBondContact O-N 3.13Å
38	Y	84.6	Confident	79.7	Confident	182 Å²	182	98.2 Å²	98.2	71%	0.714	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.9	177.6	69.8	-94.8	0	0	0	113.3	A36	A36-Y38 HydrophobicContact CB-CD1 3.59Å; A36-Y38 HydrophobicContact CB-CE1 3.2Å; A36-Y38 PolarHBondContact O-N 3.13Å
39	L	84	Confident	80.3	Confident	106 Å²	106	98.1 Å²	98.1	56%	0.555	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-41.4	178.1	-63.9	171.1	0	0	0	111.4	A36 R37	A36-L39 HydrophobicContact CB-CD1 4.16Å; A36-L39 HydrophobicContact CB-CG 4.45Å; A36-L39 WeakPolarHBondContact O-CB 3.49Å; A36-L39 PolarHBondContact O-N 3.06Å; R37-L39 VanDerWaalsContact C-N 3.31Å
40	I	83.4	Confident	81	Confident	24 Å²	24	100.2 Å²	100.2	12%	0.123	50%	0.495	C	S	.	.	S	Bend	trans	-94.9	10.9	-174	60.7	175.4	0	0	0	113.5	F32 A35 N42 E43	F32-I40 HydrophobicContact CD1-CD1 4.07Å; F32-I40 HydrophobicContact CD2-CB 4.16Å; F32-I40 HydrophobicContact CD2-CD1 4.48Å; F32-I40 HydrophobicContact CD2-CG2 4.04Å; F32-I40 HydrophobicContact CE1-CD1 3.84Å; F32-I40 HydrophobicContact CE2-CB 3.78Å; F32-I40 HydrophobicContact CE2-CD1 4.28Å; F32-I40 HydrophobicContact CE2-CG2 4.17Å; F32-I40 HydrophobicContact CG-CD1 4.38Å; F32-I40 HydrophobicContact CZ-CB 4.12Å; F32-I40 HydrophobicContact CZ-CD1 3.95Å; F32-I40 HydrophobicContact CZ-CG1 4.38Å; F32-I40 VanDerWaalsContact O-CD1 3.28Å; F32-I40 WeakPolarHBondContact O-CD1 3.43Å; A35-I40 HydrophobicContact CB-CG2 3.61Å; I40-N42 PolarHBondContact O-N 3.36Å; I40-N42 VanDerWaalsContact O-N 3.08Å; I40-E43 HydrophobicContact CB-CB 4.41Å; I40-E43 PolarHBondContact O-N 3.32Å
41	K	79.6	Confident	81.7	Confident	172 Å²	172	94.8 Å²	94.8	75%	0.748	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.8	-170.2	-177.3	-178.7	173.9	-172.8	0	113.5	R37	R37-K41 PolarHBondContact O-N 3.13Å
42	N	82.1	Confident	82.3	Confident	156 Å²	156	91.2 Å²	91.2	83%	0.834	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	7.2	-178.4	-59.3	-26.1	0	0	0	112.4	I40	I40-N42 PolarHBondContact O-N 3.36Å; I40-N42 VanDerWaalsContact O-N 3.08Å
43	E	78.9	Confident	83	Confident	120 Å²	120	95.1 Å²	95.1	56%	0.561	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-100.3	135	179.7	-66.6	-177.7	176.1	0	0	108.9	F32 I40	F32-E43 HydrophobicContact CD2-CB 4.41Å; F32-E43 HydrophobicContact CE2-CB 3.67Å; F32-E43 WeakPolarHBondContact CE2-O 3.47Å; F32-E43 VanDerWaalsContact CZ-O 3.3Å; F32-E43 WeakPolarHBondContact CZ-O 3.39Å; I40-E43 HydrophobicContact CB-CB 4.41Å; I40-E43 PolarHBondContact O-N 3.32Å
44	E	76.7	Confident	83.8	Confident	171 Å²	171	92.2 Å²	92.2	80%	0.799	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-80.7	141.4	171.3	-66.3	-172.7	167	0	0	109.4	P46	E44-P46 WeakPolarHBondContact O-CD 3.06Å
45	C	75.3	Confident	84.5	Confident	35 Å²	35	87.6 Å²	87.6	24%	0.236	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-63.5	124.7	177.2	-179.4	0	0	0	0	109.2	F32 N47 V48	F32-C45 HydrophobicContact CD1-CB 3.81Å; F32-C45 HydrophobicContact CE1-CB 3.54Å; F32-C45 HydrophobicContact CG-CB 4.47Å; F32-C45 HydrophobicContact CZ-CB 3.96Å; C45-N47 PolarHBondContact O-N 3.25Å; C45-V48 HydrophobicContact CB-CG2 4.08Å; C45-V48 VanDerWaalsContact O-CB 3.31Å; C45-V48 WeakPolarHBondContact O-CB 3.32Å; C45-V48 VanDerWaalsContact O-CG2 3.32Å; C45-V48 WeakPolarHBondContact O-CG2 3.35Å; C45-V48 PolarHBondContact O-N 3.4Å
46	P	74.9	Confident	85.1	Confident	38 Å²	38	92.8 Å²	92.8	25%	0.247	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.8	-178.9	-27.8	34.4	0	0	0	113.8	Q28 E44 V48 E49	Q28-P46 HydrophobicContact CB-CB 4.43Å; Q28-P46 HydrophobicContact CB-CG 3.96Å; E44-P46 WeakPolarHBondContact O-CD 3.06Å; P46-V48 PolarHBondContact O-N 3.02Å; P46-E49 PolarHBondContact O-N 3.08Å
47	N	80.4	Confident	85.7	Confident	25 Å²	25	95.7 Å²	95.7	13%	0.134	46%	0.461	C	S	.	.	H	α-helix	trans	-65.8	-18.4	179.5	-65.1	7	0	0	0	113.1	V23 C45 C50 I51	V23-N47 HydrophobicContact CG1-CB 4.12Å; C45-N47 PolarHBondContact O-N 3.25Å; N47-C50 PolarHBondContact O-N 3.19Å; N47-I51 WeakPolarHBondContact O-CB 3.49Å; N47-I51 VanDerWaalsContact O-CG1 3.28Å; N47-I51 WeakPolarHBondContact O-CG1 3.31Å; N47-I51 PolarHBondContact O-N 2.63Å
48	V	84.4	Confident	86.5	Confident	82 Å²	82	85 Å²	85	50%	0.497	42%	0.42	S	S	.	.	H	α-helix	trans	-64.2	-41.6	177.9	176.3	0	0	0	0	110.8	C45 P46 I51 A52	C45-V48 HydrophobicContact CB-CG2 4.08Å; C45-V48 VanDerWaalsContact O-CB 3.31Å; C45-V48 WeakPolarHBondContact O-CB 3.32Å; C45-V48 VanDerWaalsContact O-CG2 3.32Å; C45-V48 WeakPolarHBondContact O-CG2 3.35Å; C45-V48 PolarHBondContact O-N 3.4Å; P46-V48 PolarHBondContact O-N 3.02Å; V48-I51 PolarHBondContact O-N 3.32Å; V48-A52 WeakPolarHBondContact O-CB 3.42Å; V48-A52 PolarHBondContact O-N 2.81Å
49	E	86.4	Confident	87.1	Confident	130 Å²	130	77.2 Å²	77.2	61%	0.607	39%	0.393	S	S	*	.	H	α-helix	trans	-67.3	-41.9	177.9	-169.9	-179.2	173.7	0	0	111.1	P46 I51 A52 H53	P46-E49 PolarHBondContact O-N 3.08Å; E49-I51 VanDerWaalsContact C-N 3.35Å; E49-I51 PolarHBondContact O-N 3.33Å; E49-A52 PolarHBondContact O-N 3.39Å; E49-A52 VanDerWaalsContact O-N 3.17Å; E49-H53 PolarHBondContact O-N 3.06Å; E49-H53 IonicContact OE1-CE1 3.25Å
50	C	87.8	Confident	87.8	Confident	43 Å²	43	79 Å²	79	29%	0.291	40%	0.396	S	S	.	.	H	α-helix	trans	-59	-45.7	175.2	-61.7	0	0	0	0	111.7	V23 N47 A52 H53 M54	V23-C50 HydrophobicContact CG1-CB 3.95Å; N47-C50 PolarHBondContact O-N 3.19Å; C50-A52 VanDerWaalsContact C-N 3.33Å; C50-A52 PolarHBondContact O-N 3.43Å; C50-H53 PolarHBondContact O-N 3.13Å; C50-M54 PolarHBondContact O-N 3.26Å
51	I	91	Very high	88.4	Confident	39 Å²	39	79.8 Å²	79.8	20%	0.2	40%	0.4	C	S	.	.	H	α-helix	trans	-60.3	-43.7	175.2	-72.5	164.6	0	0	0	110.7	V23 N47 V48 E49 H53 M54 D55 V90	V23-I51 HydrophobicContact CB-CG1 4.38Å; V23-I51 HydrophobicContact CG1-CG1 3.95Å; V23-I51 HydrophobicContact CG2-CD1 4.42Å; V23-I51 HydrophobicContact CG2-CG1 3.48Å; V23-I51 VanDerWaalsContact CG2-CG1 3.48Å; N47-I51 WeakPolarHBondContact O-CB 3.49Å; N47-I51 VanDerWaalsContact O-CG1 3.28Å; N47-I51 WeakPolarHBondContact O-CG1 3.31Å; N47-I51 PolarHBondContact O-N 2.63Å; V48-I51 PolarHBondContact O-N 3.32Å; E49-I51 VanDerWaalsContact C-N 3.35Å; E49-I51 PolarHBondContact O-N 3.33Å; I51-H53 PolarHBondContact O-N 3.34Å; I51-M54 PolarHBondContact O-N 3.36Å; I51-D55 WeakPolarHBondContact O-CB 3.39Å; I51-D55 PolarHBondContact O-N 3.45Å; I51-V90 HydrophobicContact CD1-CG1 4.3Å; I51-V90 HydrophobicContact CG1-CG1 4.29Å; I51-V90 HydrophobicContact CG2-CG1 3.67Å; I51-V90 WeakPolarHBondContact CG2-O 3.38Å
52	A	92.3	Very high	89.3	Confident	52 Å²	52	71.6 Å²	71.6	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-39.9	179.7	0	0	0	0	0	112.4	V48 E49 C50 K56	V48-A52 WeakPolarHBondContact O-CB 3.42Å; V48-A52 PolarHBondContact O-N 2.81Å; E49-A52 PolarHBondContact O-N 3.39Å; E49-A52 VanDerWaalsContact O-N 3.17Å; C50-A52 VanDerWaalsContact C-N 3.33Å; C50-A52 PolarHBondContact O-N 3.43Å; A52-K56 WeakPolarHBondContact O-CB 3.21Å; A52-K56 PolarHBondContact O-N 3.06Å
53	H	92.7	Very high	89.9	Confident	119 Å²	119	67.2 Å²	67.2	55%	0.551	35%	0.346	S	S	*	.	H	α-helix	trans	-65.5	-43.9	174.3	-73	171.1	0	0	0	112.1	E49 C50 I51 K56 F57	E49-H53 PolarHBondContact O-N 3.06Å; E49-H53 IonicContact OE1-CE1 3.25Å; C50-H53 PolarHBondContact O-N 3.13Å; I51-H53 PolarHBondContact O-N 3.34Å; H53-K56 PolarHBondContact O-N 3.16Å; H53-F57 PolarHBondContact O-N 2.95Å
54	M	94.9	Very high	90.7	Very high	37 Å²	37	68.8 Å²	68.8	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-46.1	176.2	-177	56.1	80.9	0	0	111.4	S22 C50 I51 K56 F57 L58 F91	S22-M54 WeakPolarHBondContact O-CE 3.33Å; C50-M54 PolarHBondContact O-N 3.26Å; I51-M54 PolarHBondContact O-N 3.36Å; M54-K56 VanDerWaalsContact C-N 3.32Å; M54-K56 PolarHBondContact O-N 3.24Å; M54-F57 WeakPolarHBondContact O-CB 3.33Å; M54-F57 PolarHBondContact O-N 3.05Å; M54-F57 VanDerWaalsContact O-N 3.11Å; M54-F57 HydrophobicContact SD-CD1 4.01Å; M54-L58 HydrophobicContact CG-CD1 3.91Å; M54-L58 HydrophobicContact CG-CG 4.2Å; M54-L58 WeakPolarHBondContact O-CB 3.21Å; M54-L58 WeakPolarHBondContact O-CG 3.43Å; M54-L58 PolarHBondContact O-N 3.01Å; M54-L58 HydrophobicContact SD-CD1 4.21Å; M54-L58 HydrophobicContact SD-CD2 4.3Å; M54-L58 HydrophobicContact SD-CG 3.95Å; M54-F91 HydrophobicContact CB-CE1 4.16Å; M54-F91 HydrophobicContact CG-CD1 4.5Å; M54-F91 HydrophobicContact CG-CE1 3.69Å; M54-F91 HydrophobicContact CG-CZ 4.18Å
55	D	96.3	Very high	91.6	Very high	13 Å²	13	62.5 Å²	62.5	7%	0.07	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-43.1	177.5	-171.6	24.8	0	0	0	111.7	I51 F57 L58 S59 F91 Q92 M93 G94	I51-D55 WeakPolarHBondContact O-CB 3.39Å; I51-D55 PolarHBondContact O-N 3.45Å; D55-F57 PolarHBondContact O-N 3.48Å; D55-L58 PolarHBondContact O-N 3.45Å; D55-S59 WeakPolarHBondContact O-CB 3.42Å; D55-S59 PolarHBondContact O-N 3.49Å; D55-F91 HydrophobicContact CB-CB 4.49Å; D55-F91 HydrophobicContact CB-CD1 4.01Å; D55-F91 VanDerWaalsContact CG-C 3.47Å; D55-F91 VanDerWaalsContact CG-CA 3.42Å; D55-F91 WeakPolarHBondContact OD1-CA 3.44Å; D55-F91 WeakPolarHBondContact OD1-CB 3.18Å; D55-Q92 PolarHBondContact OD1-N 2.84Å; D55-Q92 PolarHBondContact OD2-N 3.06Å; D55-M93 PolarHBondContact OD1-N 3.44Å; D55-M93 VanDerWaalsContact OD1-N 3.16Å; D55-M93 WeakPolarHBondContact OD2-CB 3.37Å; D55-M93 PolarHBondContact OD2-N 3.43Å; D55-G94 PolarHBondContact OD1-N 3.36Å
56	K	96.9	Very high	92.6	Very high	142 Å²	142	64.1 Å²	64.1	62%	0.617	33%	0.327	S	S	*	.	H	α-helix	trans	-62.9	-41.3	175.7	-174.9	178.5	-179.3	179.5	0	112.1	A52 H53 M54 K60	A52-K56 WeakPolarHBondContact O-CB 3.21Å; A52-K56 PolarHBondContact O-N 3.06Å; H53-K56 PolarHBondContact O-N 3.16Å; M54-K56 VanDerWaalsContact C-N 3.32Å; M54-K56 PolarHBondContact O-N 3.24Å; K56-K60 PolarHBondContact O-N 2.85Å; K56-K60 VanDerWaalsContact O-N 3.13Å
57	F	96.5	Very high	93.7	Very high	99 Å²	99	62.4 Å²	62.4	43%	0.434	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-53	175.4	171	-100.9	0	0	0	111.2	L16 H53 M54 D55 S59 K60 I61	L16-F57 HydrophobicContact CD2-CE1 4.37Å; L16-F57 HydrophobicContact CD2-CZ 4.35Å; H53-F57 PolarHBondContact O-N 2.95Å; M54-F57 WeakPolarHBondContact O-CB 3.33Å; M54-F57 PolarHBondContact O-N 3.05Å; M54-F57 VanDerWaalsContact O-N 3.11Å; M54-F57 HydrophobicContact SD-CD1 4.01Å; D55-F57 PolarHBondContact O-N 3.48Å; F57-S59 VanDerWaalsContact C-N 3.32Å; F57-S59 PolarHBondContact O-N 2.75Å; F57-K60 PolarHBondContact O-N 3.17Å; F57-I61 HydrophobicContact CD2-CG1 4.17Å; F57-I61 HydrophobicContact CE1-CG1 4.2Å; F57-I61 HydrophobicContact CE2-CD1 4.11Å; F57-I61 HydrophobicContact CE2-CG1 3.71Å; F57-I61 HydrophobicContact CZ-CD1 4.46Å; F57-I61 HydrophobicContact CZ-CG1 3.73Å; F57-I61 PolarHBondContact O-N 2.78Å
58	L	97.3	Very high	94.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-43.4	179.1	-67.9	176	0	0	0	111.4	M54 D55 K60 I61 S62 V67 V69 F91 L101	M54-L58 HydrophobicContact CG-CD1 3.91Å; M54-L58 HydrophobicContact CG-CG 4.2Å; M54-L58 WeakPolarHBondContact O-CB 3.21Å; M54-L58 WeakPolarHBondContact O-CG 3.43Å; M54-L58 PolarHBondContact O-N 3.01Å; M54-L58 HydrophobicContact SD-CD1 4.21Å; M54-L58 HydrophobicContact SD-CD2 4.3Å; M54-L58 HydrophobicContact SD-CG 3.95Å; D55-L58 PolarHBondContact O-N 3.45Å; L58-K60 VanDerWaalsContact C-N 3.27Å; L58-K60 PolarHBondContact O-N 3.22Å; L58-I61 PolarHBondContact O-N 3.04Å; L58-S62 WeakPolarHBondContact O-CB 3.37Å; L58-S62 PolarHBondContact O-N 2.82Å; L58-S62 PolarHBondContact O-OG 3.37Å; L58-V67 HydrophobicContact CD2-CG1 3.88Å; L58-V69 HydrophobicContact CD1-CG2 4.07Å; L58-V69 HydrophobicContact CD2-CG2 3.67Å; L58-F91 HydrophobicContact CD1-CD1 3.79Å; L58-F91 HydrophobicContact CD1-CD2 3.92Å; L58-F91 HydrophobicContact CD1-CE1 3.89Å; L58-F91 HydrophobicContact CD1-CE2 3.99Å; L58-F91 HydrophobicContact CD1-CG 3.81Å; L58-F91 HydrophobicContact CD1-CZ 3.98Å; L58-L101 HydrophobicContact CB-CD1 4.37Å; L58-L101 HydrophobicContact CD1-CD1 4.42Å; L58-L101 HydrophobicContact CD2-CD1 4.3Å
59	S	97.8	Very high	95.2	Very high	19 Å²	19	57.5 Å²	57.5	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-38.4	174.2	-179.6	0	0	0	0	112.8	D55 F57 H97	D55-S59 WeakPolarHBondContact O-CB 3.42Å; D55-S59 PolarHBondContact O-N 3.49Å; F57-S59 VanDerWaalsContact C-N 3.32Å; F57-S59 PolarHBondContact O-N 2.75Å; S59-H97 PolarHBondContact O-CE1 2.95Å; S59-H97 PolarHBondContact O-NE2 2.97Å; S59-H97 PolarHBondContact OG-CE1 2.96Å
60	K	97.6	Very high	95.7	Very high	143 Å²	143	51.5 Å²	51.5	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-74.3	-39.8	179.6	-176.2	176.1	178.9	-177.3	0	111.7	K56 F57 L58 S63 F64	K56-K60 PolarHBondContact O-N 2.85Å; K56-K60 VanDerWaalsContact O-N 3.13Å; F57-K60 PolarHBondContact O-N 3.17Å; L58-K60 VanDerWaalsContact C-N 3.27Å; L58-K60 PolarHBondContact O-N 3.22Å; K60-S63 PolarHBondContact O-OG 2.67Å; K60-F64 HydrophobicContact CG-CE2 4.26Å; K60-F64 WeakPolarHBondContact O-CD2 3.38Å; K60-F64 WeakPolarHBondContact O-CE2 3.34Å
61	I	97.1	Very high	96.1	Very high	40 Å²	40	49.5 Å²	49.5	21%	0.205	25%	0.245	C	C	.	.	H	α-helix	trans	-76.7	-38.9	-178.2	-56.9	-55.4	0	0	0	111.3	L16 F57 L58 S63 F64 L65 V67	L16-I61 HydrophobicContact CD2-CG2 3.91Å; F57-I61 HydrophobicContact CD2-CG1 4.17Å; F57-I61 HydrophobicContact CE1-CG1 4.2Å; F57-I61 HydrophobicContact CE2-CD1 4.11Å; F57-I61 HydrophobicContact CE2-CG1 3.71Å; F57-I61 HydrophobicContact CZ-CD1 4.46Å; F57-I61 HydrophobicContact CZ-CG1 3.73Å; F57-I61 PolarHBondContact O-N 2.78Å; L58-I61 PolarHBondContact O-N 3.04Å; I61-S63 PolarHBondContact O-N 3.06Å; I61-F64 PolarHBondContact O-N 2.86Å; I61-L65 HydrophobicContact CG2-CD1 4.45Å; I61-L65 HydrophobicContact CG2-CD2 4.14Å; I61-L65 HydrophobicContact CG2-CG 4.1Å; I61-L65 PolarHBondContact O-N 3.35Å; I61-V67 HydrophobicContact CB-CG2 4.13Å; I61-V67 HydrophobicContact CG2-CG2 3.67Å
62	S	97.3	Very high	96.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.3	179.2	-51.9	0	0	0	0	113.6	L58 F64 M100	L58-S62 WeakPolarHBondContact O-CB 3.37Å; L58-S62 PolarHBondContact O-N 2.82Å; L58-S62 PolarHBondContact O-OG 3.37Å; S62-F64 VanDerWaalsContact C-N 3.33Å; S62-M100 WeakPolarHBondContact O-CB 3.39Å
63	S	96.1	Very high	96	Very high	64 Å²	64	48.8 Å²	48.8	45%	0.448	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.8	169.7	69.8	0	0	0	0	113.7	K60 I61	K60-S63 PolarHBondContact O-OG 2.67Å; I61-S63 PolarHBondContact O-N 3.06Å
64	F	95.2	Very high	95.7	Very high	153 Å²	153	43.5 Å²	43.5	67%	0.671	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-35.1	-175.9	-59.1	-70.9	0	0	0	113.7	K60 I61 S62	K60-F64 HydrophobicContact CG-CE2 4.26Å; K60-F64 WeakPolarHBondContact O-CD2 3.38Å; K60-F64 WeakPolarHBondContact O-CE2 3.34Å; I61-F64 PolarHBondContact O-N 2.86Å; S62-F64 VanDerWaalsContact C-N 3.33Å
65	L	95.4	Very high	95.5	Very high	39 Å²	39	42.2 Å²	42.2	20%	0.204	21%	0.207	C	C	.	.	S	Bend	trans	-153.4	168.3	-179.3	63.2	119	0	0	0	111.4	I13 L16 I61	I13-L65 HydrophobicContact CG2-CD1 4.24Å; L16-L65 HydrophobicContact CB-CD1 3.82Å; I61-L65 HydrophobicContact CG2-CD1 4.45Å; I61-L65 HydrophobicContact CG2-CD2 4.14Å; I61-L65 HydrophobicContact CG2-CG 4.1Å; I61-L65 PolarHBondContact O-N 3.35Å
66	E	97.2	Very high	95.1	Very high	69 Å²	69	44.7 Å²	44.7	32%	0.322	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.8	179.5	-65.8	-175.7	159.4	0	0	111.7	R15 L16 M100	R15-E66 CarbonylContact C-O 3.28Å; R15-E66 VanDerWaalsContact CA-O 3.31Å; R15-E66 WeakPolarHBondContact CA-O 3.38Å; R15-E66 HydrophobicContact CG-CB 4.34Å; R15-E66 WeakPolarHBondContact CG-O 3.46Å; R15-E66 IonicContact CZ-OE2 3.92Å; R15-E66 VanDerWaalsContact CZ-OE2 3.31Å; R15-E66 IonicContact NE-OE2 3.12Å; R15-E66 PolarHBondContact NE-OE2 2.85Å; R15-E66 IonicContact NH2-OE2 2.65Å; R15-E66 PolarHBondContact NH2-OE2 2.84Å; L16-E66 PolarHBondContact N-O 3.32Å; E66-M100 HydrophobicContact CG-CE 3.62Å; E66-M100 HydrophobicContact CG-SD 3.97Å; E66-M100 WeakPolarHBondContact OE1-CE 3.28Å
67	V	98	Very high	94.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.5	180	-172.2	0	0	0	0	109.6	L16 V18 L58 I61 V69 M100 L101 N102	L16-V67 HydrophobicContact CB-CG1 4.44Å; L16-V67 HydrophobicContact CB-CG2 4.38Å; L16-V67 HydrophobicContact CD2-CG1 4.2Å; L16-V67 HydrophobicContact CD2-CG2 4.49Å; L16-V67 HydrophobicContact CG-CG1 4.35Å; L16-V67 CarbonylContact O-C 3.36Å; L16-V67 WeakPolarHBondContact O-CA 3.25Å; V18-V67 HydrophobicContact CG2-CG1 4.5Å; L58-V67 HydrophobicContact CD2-CG1 3.88Å; I61-V67 HydrophobicContact CB-CG2 4.13Å; I61-V67 HydrophobicContact CG2-CG2 3.67Å; V67-V69 HydrophobicContact CG1-CG2 4Å; V67-M100 PolarHBondContact N-O 3.36Å; V67-L101 HydrophobicContact CB-CD1 4.03Å; V67-L101 HydrophobicContact CG1-CD1 4.13Å; V67-N102 PolarHBondContact O-N 3.02Å
68	D	98.1	Very high	94.6	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.4	170.5	-66.1	-42.6	0	0	0	109	R15 L16 V17 V18 N102 Y108	R15-D68 VanDerWaalsContact CD-OD2 3.31Å; R15-D68 WeakPolarHBondContact CD-OD2 3.38Å; R15-D68 IonicContact CZ-OD2 3.31Å; R15-D68 IonicContact NE-OD2 2.84Å; R15-D68 IonicContact NH1-OD1 3.58Å; R15-D68 IonicContact NH1-OD2 2.72Å; R15-D68 PolarHBondContact NH1-OD2 3.46Å; L16-D68 PolarHBondContact O-N 3Å; V17-D68 CarbonylContact C-O 3.49Å; V17-D68 WeakPolarHBondContact CA-O 3.5Å; V17-D68 HydrophobicContact CG1-CB 4.44Å; V17-D68 HydrophobicContact CG2-CB 4.26Å; V18-D68 PolarHBondContact N-O 2.74Å; D68-N102 CarbonylContact C-O 3.54Å; D68-N102 WeakPolarHBondContact CA-O 3.5Å; D68-N102 WeakPolarHBondContact OD1-CB 3.5Å; D68-N102 PolarHBondContact OD1-ND2 3.49Å; D68-Y108 HydrophobicContact CB-CE1 3.67Å; D68-Y108 PolarHBondContact OD1-OH 3.48Å; D68-Y108 VanDerWaalsContact OD1-OH 3.06Å; D68-Y108 WeakPolarHBondContact OD2-CE1 3.49Å; D68-Y108 PolarHBondContact OD2-OH 3.35Å
69	V	97.6	Very high	94.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.6	178.2	-175.3	0	0	0	0	109.6	V18 L58 V67 I86 F91 L101 N102 L103 A104	V18-V69 HydrophobicContact CB-CG1 4.29Å; V18-V69 HydrophobicContact CB-CG2 4.29Å; V18-V69 HydrophobicContact CG1-CG1 4.44Å; V18-V69 HydrophobicContact CG2-CG2 4.41Å; L58-V69 HydrophobicContact CD1-CG2 4.07Å; L58-V69 HydrophobicContact CD2-CG2 3.67Å; V67-V69 HydrophobicContact CG1-CG2 4Å; V69-I86 HydrophobicContact CG1-CD1 4.29Å; V69-F91 HydrophobicContact CG1-CE2 4.47Å; V69-L101 HydrophobicContact CG2-CD1 3.83Å; V69-N102 PolarHBondContact N-O 3.32Å; V69-L103 HydrophobicContact CB-CD2 3.96Å; V69-L103 HydrophobicContact CG2-CD2 4.31Å; V69-A104 PolarHBondContact O-N 3.15Å
70	M	97.5	Very high	93.9	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	145.3	171.9	-58.6	166.7	56	0	0	109.4	V17 V18 A19 G20 A104 N106 Y108	V17-M70 HydrophobicContact CG1-SD 4.29Å; V18-M70 PolarHBondContact O-N 3.16Å; A19-M70 HydrophobicContact CB-SD 4.25Å; G20-M70 WeakPolarHBondContact CA-O 3.25Å; G20-M70 PolarHBondContact N-O 3.22Å; G20-M70 VanDerWaalsContact N-O 3.1Å; M70-A104 HydrophobicContact CG-CB 4.29Å; M70-N106 HydrophobicContact CE-CB 4.23Å; M70-Y108 HydrophobicContact CG-CD1 4.15Å; M70-Y108 HydrophobicContact CG-CG 4.19Å; M70-Y108 WeakPolarHBondContact SD-CB 3.48Å; M70-Y108 HydrophobicContact SD-CD1 4.03Å; M70-Y108 HydrophobicContact SD-CG 4.21Å
71	P	96	Very high	93.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.			trans	-71.6	154.6	169	33.4	-39.2	0	0	0	111.4	D75 Q83 Q84 I86 A104 N106 S121	P71-D75 HydrophobicContact CB-CB 4.3Å; P71-Q83 HydrophobicContact CB-CB 4.41Å; P71-Q83 HydrophobicContact CG-CB 3.64Å; P71-Q83 PolarHBondContact O-OE1 2.99Å; P71-Q83 VanDerWaalsContact O-OE1 3.06Å; P71-Q84 WeakPolarHBondContact CG-O 3.11Å; P71-I86 HydrophobicContact CB-CD1 4.46Å; P71-I86 HydrophobicContact CB-CG1 4.04Å; P71-A104 WeakPolarHBondContact CD-O 3.18Å; P71-N106 HydrophobicContact CG-CB 3.81Å; P71-N106 PolarHBondContact O-ND2 3.13Å; P71-S121 WeakPolarHBondContact O-CB 3.1Å; P71-S121 PolarHBondContact O-OG 3.08Å
72	G	93.2	Very high	93.7	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.031	27%	0.272	C	S	.	.			trans	-123.2	-173.4	157.7	0	0	0	0	0	112.1	G74 D75 E123	G72-G74 PolarHBondContact O-N 3.37Å; G72-D75 PolarHBondContact N-OD2 3.24Å; G72-D75 PolarHBondContact O-N 3.15Å; G72-D75 VanDerWaalsContact O-N 3.1Å; G72-E123 WeakPolarHBondContact CA-OE1 3.14Å
73	L	88	Confident	93.7	Very high	73 Å²	73	51.2 Å²	51.2	38%	0.382	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.3	-179.2	-61.9	176.3	0	0	0	114.1	Y79 E123	L73-Y79 HydrophobicContact CB-CE2 4.38Å; L73-Y79 HydrophobicContact CD2-CD2 3.79Å; L73-Y79 HydrophobicContact CD2-CE2 3.59Å; L73-Y79 HydrophobicContact CD2-CG 4.39Å; L73-Y79 HydrophobicContact CG-CE2 4.37Å; L73-E123 HydrophobicContact CD1-CG 3.75Å; L73-E123 HydrophobicContact CD2-CG 3.8Å; L73-E123 HydrophobicContact CG-CG 3.45Å; L73-E123 VanDerWaalsContact CG-CG 3.45Å; L73-E123 PolarHBondContact N-OE1 3.1Å; L73-E123 VanDerWaalsContact N-OE1 3.15Å
74	G	85	Confident	93.7	Very high	9 Å²	9	52.9 Å²	52.9	9%	0.093	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.5	177.9	0	0	0	0	0	115.6	E21 V23 G72	E21-G74 WeakPolarHBondContact OE1-CA 3.02Å; E21-G74 PolarHBondContact OE2-N 3.23Å; V23-G74 CarbonylContact O-C 3.55Å; G72-G74 PolarHBondContact O-N 3.37Å
75	D	90.6	Very high	93.8	Very high	10 Å²	10	48 Å²	48	5%	0.053	26%	0.256	C	S	.	.	S	Bend	trans	-84.1	154.4	-173.2	-68.6	-44	0	0	0	112.3	E21 S22 V23 P71 G72 S77 I86	E21-D75 PolarHBondContact N-OD2 3.14Å; S22-D75 WeakPolarHBondContact CA-OD1 3.38Å; S22-D75 VanDerWaalsContact CB-OD1 3.3Å; S22-D75 WeakPolarHBondContact CB-OD1 3.33Å; S22-D75 PolarHBondContact N-OD1 2.83Å; S22-D75 PolarHBondContact N-OD2 3.1Å; S22-D75 VanDerWaalsContact N-OD2 3.14Å; V23-D75 PolarHBondContact N-OD1 3.22Å; P71-D75 HydrophobicContact CB-CB 4.3Å; G72-D75 PolarHBondContact N-OD2 3.24Å; G72-D75 PolarHBondContact O-N 3.15Å; G72-D75 VanDerWaalsContact O-N 3.1Å; D75-S77 PolarHBondContact O-N 3.21Å; D75-I86 HydrophobicContact CB-CD1 3.84Å; D75-I86 HydrophobicContact CB-CG1 4.26Å
76	P	89.1	Confident	93.8	Very high	64 Å²	64	46.3 Å²	46.3	42%	0.416	25%	0.247	S	C	.	.	S	Bend	trans	-73.3	69	176.9	30.9	-35.6	0	0	0	111.5	I86 V90	P76-I86 HydrophobicContact CG-CG2 4.19Å; P76-V90 HydrophobicContact CB-CG2 4.46Å; P76-V90 HydrophobicContact CG-CB 4.48Å; P76-V90 HydrophobicContact CG-CG1 3.87Å; P76-V90 HydrophobicContact CG-CG2 3.82Å
77	S	90.8	Very high	93.7	Very high	37 Å²	37	49.4 Å²	49.4	26%	0.259	26%	0.261	S	S	.	.	S	Bend	trans	-138.5	-177.4	176.2	-168.8	0	0	0	0	111.3	D75 Q84	D75-S77 PolarHBondContact O-N 3.21Å; S77-Q84 PolarHBondContact OG-O 2.82Å
78	T	91.7	Very high	93.6	Very high	63 Å²	63	54.5 Å²	54.5	39%	0.387	28%	0.281	S	S	.	.			trans	-64.7	130.1	172.5	50.4	0	0	0	0	110.5	Q83 Q84	T78-Q83 WeakPolarHBondContact O-CB 3.43Å; T78-Q83 WeakPolarHBondContact O-CG 3.31Å; T78-Q83 WeakPolarHBondContact OG1-CA 3.5Å; T78-Q84 HydrophobicContact CG2-CB 4.32Å; T78-Q84 HydrophobicContact CG2-CG 4Å; T78-Q84 PolarHBondContact OG1-N 3.43Å
79	Y	88.9	Confident	93.5	Very high	165 Å²	165	57 Å²	57	65%	0.647	30%	0.302	S	S	*	.	S	Bend	trans	-69.2	-36.2	179	-175.2	-95.4	0	0	0	113.5	L73	L73-Y79 HydrophobicContact CB-CE2 4.38Å; L73-Y79 HydrophobicContact CD2-CD2 3.79Å; L73-Y79 HydrophobicContact CD2-CE2 3.59Å; L73-Y79 HydrophobicContact CD2-CG 4.39Å; L73-Y79 HydrophobicContact CG-CE2 4.37Å
80	L	92.5	Very high	93.3	Very high	136 Å²	136	58.4 Å²	58.4	71%	0.712	31%	0.31	S	S	*	.	S	Bend	trans	-79.3	150.3	-177.8	-63.4	174.6	0	0	0	111.9	P82 Q83	L80-P82 CarbonylContact O-C 3.53Å; L80-P82 VanDerWaalsContact O-C 3.28Å; L80-Q83 PolarHBondContact O-N 3.16Å
81	M	94	Very high	93.2	Very high	92 Å²	92	58.2 Å²	58.2	45%	0.453	31%	0.309	S	S	.	.	S	Bend	trans	-77.4	140.8	171.1	-69.3	-66.5	-96.6	0	0	111.4	Q83 P107 T120	M81-Q83 HydrophobicContact SD-CG 3.92Å; M81-P107 VanDerWaalsContact CE-CD 3.5Å; M81-P107 HydrophobicContact CE-CG 3.64Å; M81-T120 HydrophobicContact CE-CG2 4.35Å
82	P	95.5	Very high	93.2	Very high	87 Å²	87	64.6 Å²	64.6	57%	0.565	34%	0.339	S	S	*	.	S	Bend	cis	-74.2	134.7	-8.6	31.2	-33.9	0	0	0	111.8	L80 N106	L80-P82 CarbonylContact O-C 3.53Å; L80-P82 VanDerWaalsContact O-C 3.28Å; P82-N106 CarbonylContact C-O 3.58Å; P82-N106 WeakPolarHBondContact CA-O 3.34Å
83	Q	96.5	Very high	93.4	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-76.1	134.9	177.3	-49	178.2	-27.6	0	0	110.9	P71 T78 L80 M81 T105 N106	P71-Q83 HydrophobicContact CB-CB 4.41Å; P71-Q83 HydrophobicContact CG-CB 3.64Å; P71-Q83 PolarHBondContact O-OE1 2.99Å; P71-Q83 VanDerWaalsContact O-OE1 3.06Å; T78-Q83 WeakPolarHBondContact O-CB 3.43Å; T78-Q83 WeakPolarHBondContact O-CG 3.31Å; T78-Q83 WeakPolarHBondContact OG1-CA 3.5Å; L80-Q83 PolarHBondContact O-N 3.16Å; M81-Q83 HydrophobicContact SD-CG 3.92Å; Q83-T105 WeakPolarHBondContact O-CA 3.32Å; Q83-T105 WeakPolarHBondContact O-CB 3.32Å; Q83-N106 HydrophobicContact CB-CB 4.06Å; Q83-N106 HydrophobicContact CG-CB 4.35Å; Q83-N106 PolarHBondContact N-O 3.36Å; Q83-N106 PolarHBondContact O-N 3.14Å; Q83-N106 PolarHBondContact OE1-ND2 3.37Å; Q83-N106 VanDerWaalsContact OE1-ND2 3.08Å
84	Q	97	Very high	93.9	Very high	99 Å²	99	65.1 Å²	65.1	46%	0.463	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-75	160.4	178.7	-64.5	-56.8	-69	0	0	111.9	P71 S77 T78	P71-Q84 WeakPolarHBondContact CG-O 3.11Å; S77-Q84 PolarHBondContact OG-O 2.82Å; T78-Q84 HydrophobicContact CG2-CB 4.32Å; T78-Q84 HydrophobicContact CG2-CG 4Å; T78-Q84 PolarHBondContact OG1-N 3.43Å
85	P	97	Very high	94.5	Very high	52 Å²	52	65.8 Å²	65.8	34%	0.338	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-57.6	144.9	173.6	-26.4	37.9	0	0	0	112.9	H87 L103 A104 T105	P85-H87 PolarHBondContact O-N 3.04Å; P85-L103 HydrophobicContact CB-CB 4.15Å; P85-L103 VanDerWaalsContact CB-O 3.31Å; P85-L103 WeakPolarHBondContact CB-O 3.49Å; P85-A104 WeakPolarHBondContact CA-O 3.2Å; P85-T105 HydrophobicContact CG-CG2 4.01Å
86	I	95.6	Very high	94.8	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.01	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-58.2	135.3	168.8	-60	171.9	0	0	0	108.3	V69 P71 D75 P76 R88 V90 F91 L103	V69-I86 HydrophobicContact CG1-CD1 4.29Å; P71-I86 HydrophobicContact CB-CD1 4.46Å; P71-I86 HydrophobicContact CB-CG1 4.04Å; D75-I86 HydrophobicContact CB-CD1 3.84Å; D75-I86 HydrophobicContact CB-CG1 4.26Å; P76-I86 HydrophobicContact CG-CG2 4.19Å; I86-R88 PolarHBondContact O-N 3.44Å; I86-V90 HydrophobicContact CG2-CB 3.78Å; I86-V90 HydrophobicContact CG2-CG1 3.99Å; I86-V90 HydrophobicContact CG2-CG2 3.85Å; I86-F91 HydrophobicContact CB-CE2 4.11Å; I86-F91 HydrophobicContact CD1-CE2 3.8Å; I86-F91 HydrophobicContact CD1-CZ 4.03Å; I86-F91 HydrophobicContact CG2-CD2 4.22Å; I86-F91 HydrophobicContact CG2-CE2 3.68Å; I86-F91 HydrophobicContact CG2-CZ 4.29Å; I86-L103 WeakPolarHBondContact O-CD1 3.18Å
87	H	95.5	Very high	95.2	Very high	135 Å²	135	73.2 Å²	73.2	63%	0.625	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-67	136.3	-179.5	-171	-90.1	0	0	0	111	P85 A89 V90	P85-H87 PolarHBondContact O-N 3.04Å; H87-A89 WeakPolarHBondContact ND1-CB 3.44Å; H87-A89 PolarHBondContact ND1-N 3.36Å; H87-A89 VanDerWaalsContact ND1-N 3.16Å; H87-A89 PolarHBondContact O-N 2.83Å; H87-V90 WeakPolarHBondContact O-CB 3.12Å; H87-V90 WeakPolarHBondContact O-CG2 3.34Å; H87-V90 PolarHBondContact O-N 2.8Å
88	R	96	Very high	95.4	Very high	108 Å²	108	73 Å²	73	41%	0.408	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.9	-176.6	-72.8	-172.4	179.5	-80.1	-1.1	114.8	I86 V90 F91 S95 L101 L103	I86-R88 PolarHBondContact O-N 3.44Å; R88-V90 PolarHBondContact O-N 3.11Å; R88-F91 CarbonylContact O-C 3.32Å; R88-F91 PolarHBondContact O-N 3.47Å; R88-S95 WeakPolarHBondContact CB-OG 3.37Å; R88-S95 PolarHBondContact O-OG 3.13Å; R88-S95 VanDerWaalsContact O-OG 3.04Å; R88-L101 PolarHBondContact NH1-O 3.01Å; R88-L101 VanDerWaalsContact NH1-O 3.12Å; R88-L103 HydrophobicContact CB-CD1 4.38Å; R88-L103 HydrophobicContact CG-CD1 3.74Å
89	A	95.1	Very high	95.6	Very high	56 Å²	56	79.2 Å²	79.2	46%	0.463	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.5	177.2	0	0	0	0	0	114.1	H87 Q92	H87-A89 WeakPolarHBondContact ND1-CB 3.44Å; H87-A89 PolarHBondContact ND1-N 3.36Å; H87-A89 VanDerWaalsContact ND1-N 3.16Å; H87-A89 PolarHBondContact O-N 2.83Å; A89-Q92 WeakPolarHBondContact O-CG 3.18Å
90	V	94.1	Very high	96	Very high	30 Å²	30	74.7 Å²	74.7	18%	0.182	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-40.9	174.3	178.3	0	0	0	0	110.3	I51 P76 I86 H87 R88	I51-V90 HydrophobicContact CD1-CG1 4.3Å; I51-V90 HydrophobicContact CG1-CG1 4.29Å; I51-V90 HydrophobicContact CG2-CG1 3.67Å; I51-V90 WeakPolarHBondContact CG2-O 3.38Å; P76-V90 HydrophobicContact CB-CG2 4.46Å; P76-V90 HydrophobicContact CG-CB 4.48Å; P76-V90 HydrophobicContact CG-CG1 3.87Å; P76-V90 HydrophobicContact CG-CG2 3.82Å; I86-V90 HydrophobicContact CG2-CB 3.78Å; I86-V90 HydrophobicContact CG2-CG1 3.99Å; I86-V90 HydrophobicContact CG2-CG2 3.85Å; H87-V90 WeakPolarHBondContact O-CB 3.12Å; H87-V90 WeakPolarHBondContact O-CG2 3.34Å; H87-V90 PolarHBondContact O-N 2.8Å; R88-V90 PolarHBondContact O-N 3.11Å
91	F	95.4	Very high	96.3	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-109.8	71.4	179.5	-54.3	-54	0	0	0	110.5	M54 D55 L58 V69 I86 R88 S95 L101 L103	M54-F91 HydrophobicContact CB-CE1 4.16Å; M54-F91 HydrophobicContact CG-CD1 4.5Å; M54-F91 HydrophobicContact CG-CE1 3.69Å; M54-F91 HydrophobicContact CG-CZ 4.18Å; D55-F91 HydrophobicContact CB-CB 4.49Å; D55-F91 HydrophobicContact CB-CD1 4.01Å; D55-F91 VanDerWaalsContact CG-C 3.47Å; D55-F91 VanDerWaalsContact CG-CA 3.42Å; D55-F91 WeakPolarHBondContact OD1-CA 3.44Å; D55-F91 WeakPolarHBondContact OD1-CB 3.18Å; L58-F91 HydrophobicContact CD1-CD1 3.79Å; L58-F91 HydrophobicContact CD1-CD2 3.92Å; L58-F91 HydrophobicContact CD1-CE1 3.89Å; L58-F91 HydrophobicContact CD1-CE2 3.99Å; L58-F91 HydrophobicContact CD1-CG 3.81Å; L58-F91 HydrophobicContact CD1-CZ 3.98Å; V69-F91 HydrophobicContact CG1-CE2 4.47Å; I86-F91 HydrophobicContact CB-CE2 4.11Å; I86-F91 HydrophobicContact CD1-CE2 3.8Å; I86-F91 HydrophobicContact CD1-CZ 4.03Å; I86-F91 HydrophobicContact CG2-CD2 4.22Å; I86-F91 HydrophobicContact CG2-CE2 3.68Å; I86-F91 HydrophobicContact CG2-CZ 4.29Å; R88-F91 CarbonylContact O-C 3.32Å; R88-F91 PolarHBondContact O-N 3.47Å; F91-S95 WeakPolarHBondContact O-CB 3.44Å; F91-S95 PolarHBondContact O-N 3.01Å; F91-S95 PolarHBondContact O-OG 3.17Å; F91-L101 HydrophobicContact CB-CD2 4.27Å; F91-L103 HydrophobicContact CD2-CD1 4.24Å; F91-L103 HydrophobicContact CD2-CD2 3.78Å; F91-L103 HydrophobicContact CE2-CD2 4.1Å
92	Q	96.4	Very high	96.5	Very high	134 Å²	134	66.6 Å²	66.6	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-41.3	-172.3	-61	-173.9	-4.1	0	0	112.7	D55 A89 K96	D55-Q92 PolarHBondContact OD1-N 2.84Å; D55-Q92 PolarHBondContact OD2-N 3.06Å; A89-Q92 WeakPolarHBondContact O-CG 3.18Å; Q92-K96 WeakPolarHBondContact O-CG 3.3Å
93	M	97.4	Very high	96.6	Very high	87 Å²	87	63.1 Å²	63.1	43%	0.429	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-47.4	178.1	-62.8	-175.4	59.5	0	0	110.6	D55 S95 K96	D55-M93 PolarHBondContact OD1-N 3.44Å; D55-M93 VanDerWaalsContact OD1-N 3.16Å; D55-M93 WeakPolarHBondContact OD2-CB 3.37Å; D55-M93 PolarHBondContact OD2-N 3.43Å; M93-S95 PolarHBondContact O-N 2.96Å; M93-K96 WeakPolarHBondContact O-CB 3.12Å; M93-K96 PolarHBondContact O-N 2.97Å
94	G	97.3	Very high	96.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-58	-47	177.8	0	0	0	0	0	112	D55 K96 H97	D55-G94 PolarHBondContact OD1-N 3.36Å; G94-K96 PolarHBondContact O-N 3.47Å; G94-H97 WeakPolarHBondContact O-CB 3.48Å; G94-H97 PolarHBondContact O-N 3.28Å; G94-H97 PolarHBondContact O-ND1 3.42Å
95	S	97.1	Very high	96.7	Very high	24 Å²	24	61.1 Å²	61.1	17%	0.168	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-62.4	-17.6	-177.6	-66.9	0	0	0	0	114.2	R88 F91 M93 H97 G98	R88-S95 WeakPolarHBondContact CB-OG 3.37Å; R88-S95 PolarHBondContact O-OG 3.13Å; R88-S95 VanDerWaalsContact O-OG 3.04Å; F91-S95 WeakPolarHBondContact O-CB 3.44Å; F91-S95 PolarHBondContact O-N 3.01Å; F91-S95 PolarHBondContact O-OG 3.17Å; M93-S95 PolarHBondContact O-N 2.96Å; S95-H97 PolarHBondContact O-N 2.93Å; S95-G98 PolarHBondContact O-N 3.18Å; S95-G98 VanDerWaalsContact O-N 3.08Å
96	K	97.5	Very high	96.7	Very high	170 Å²	170	58.7 Å²	58.7	74%	0.739	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-62.6	-21.7	172.4	-66.7	175.1	-176.5	178.1	0	112.9	Q92 M93 G94 G98	Q92-K96 WeakPolarHBondContact O-CG 3.3Å; M93-K96 WeakPolarHBondContact O-CB 3.12Å; M93-K96 PolarHBondContact O-N 2.97Å; G94-K96 PolarHBondContact O-N 3.47Å; K96-G98 PolarHBondContact O-N 3.34Å
97	H	97.4	Very high	96.8	Very high	59 Å²	59	60.5 Å²	60.5	27%	0.273	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-81.3	2.5	176.4	-58.7	84.2	0	0	0	113.2	S59 G94 S95 K99 M100	S59-H97 PolarHBondContact O-CE1 2.95Å; S59-H97 PolarHBondContact O-NE2 2.97Å; S59-H97 PolarHBondContact OG-CE1 2.96Å; G94-H97 WeakPolarHBondContact O-CB 3.48Å; G94-H97 PolarHBondContact O-N 3.28Å; G94-H97 PolarHBondContact O-ND1 3.42Å; S95-H97 PolarHBondContact O-N 2.93Å; H97-K99 PolarHBondContact O-N 3.45Å; H97-M100 HydrophobicContact CB-CB 3.99Å; H97-M100 WeakPolarHBondContact O-CB 3.22Å; H97-M100 PolarHBondContact O-N 3.45Å; H97-M100 VanDerWaalsContact O-N 3.14Å
98	G	96.6	Very high	96.9	Very high	34 Å²	34	55.3 Å²	55.3	35%	0.351	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	61.2	-117.9	171.8	0	0	0	0	0	112.6	S95 K96 M100 L101	S95-G98 PolarHBondContact O-N 3.18Å; S95-G98 VanDerWaalsContact O-N 3.08Å; K96-G98 PolarHBondContact O-N 3.34Å; G98-M100 VanDerWaalsContact C-N 3.27Å; G98-M100 PolarHBondContact O-N 2.77Å; G98-L101 PolarHBondContact O-N 3.04Å
99	K	95.5	Very high	97	Very high	192 Å²	192	56.3 Å²	56.3	84%	0.835	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-72.2	-17	-178.1	-67	-173.9	178.9	-178	0	113.9	H97 L101	H97-K99 PolarHBondContact O-N 3.45Å; K99-L101 PolarHBondContact O-N 3.4Å
100	M	97.5	Very high	97.1	Very high	71 Å²	71	54.6 Å²	54.6	35%	0.35	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-69.4	-23.7	175.4	-61.4	-70.2	92.8	0	0	112.1	S62 E66 V67 H97 G98	S62-M100 WeakPolarHBondContact O-CB 3.39Å; E66-M100 HydrophobicContact CG-CE 3.62Å; E66-M100 HydrophobicContact CG-SD 3.97Å; E66-M100 WeakPolarHBondContact OE1-CE 3.28Å; V67-M100 PolarHBondContact N-O 3.36Å; H97-M100 HydrophobicContact CB-CB 3.99Å; H97-M100 WeakPolarHBondContact O-CB 3.22Å; H97-M100 PolarHBondContact O-N 3.45Å; H97-M100 VanDerWaalsContact O-N 3.14Å; G98-M100 VanDerWaalsContact C-N 3.27Å; G98-M100 PolarHBondContact O-N 2.77Å
101	L	98.1	Very high	97.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	102.9	168.1	-177.2	65.1	0	0	0	109.5	L58 V67 V69 R88 F91 G98 K99 L103	L58-L101 HydrophobicContact CB-CD1 4.37Å; L58-L101 HydrophobicContact CD1-CD1 4.42Å; L58-L101 HydrophobicContact CD2-CD1 4.3Å; V67-L101 HydrophobicContact CB-CD1 4.03Å; V67-L101 HydrophobicContact CG1-CD1 4.13Å; V69-L101 HydrophobicContact CG2-CD1 3.83Å; R88-L101 PolarHBondContact NH1-O 3.01Å; R88-L101 VanDerWaalsContact NH1-O 3.12Å; F91-L101 HydrophobicContact CB-CD2 4.27Å; G98-L101 PolarHBondContact O-N 3.04Å; K99-L101 PolarHBondContact O-N 3.4Å; L101-L103 HydrophobicContact CD1-CD2 4.25Å; L101-L103 HydrophobicContact CD2-CD2 4.23Å; L101-L103 HydrophobicContact CG-CD2 4.02Å
102	N	97.5	Very high	97.2	Very high	58 Å²	58	58.6 Å²	58.6	31%	0.31	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.8	176.6	-177.5	37.1	0	0	0	109.7	V67 D68 V69 Y108	V67-N102 PolarHBondContact O-N 3.02Å; D68-N102 CarbonylContact C-O 3.54Å; D68-N102 WeakPolarHBondContact CA-O 3.5Å; D68-N102 WeakPolarHBondContact OD1-CB 3.5Å; D68-N102 PolarHBondContact OD1-ND2 3.49Å; V69-N102 PolarHBondContact N-O 3.32Å; N102-Y108 PolarHBondContact ND2-OH 2.78Å
103	L	97.6	Very high	97.2	Very high	13 Å²	13	61.5 Å²	61.5	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.8	173.6	-54.6	179.3	0	0	0	106.2	V69 P85 I86 R88 F91 L101	V69-L103 HydrophobicContact CB-CD2 3.96Å; V69-L103 HydrophobicContact CG2-CD2 4.31Å; P85-L103 HydrophobicContact CB-CB 4.15Å; P85-L103 VanDerWaalsContact CB-O 3.31Å; P85-L103 WeakPolarHBondContact CB-O 3.49Å; I86-L103 WeakPolarHBondContact O-CD1 3.18Å; R88-L103 HydrophobicContact CB-CD1 4.38Å; R88-L103 HydrophobicContact CG-CD1 3.74Å; F91-L103 HydrophobicContact CD2-CD1 4.24Å; F91-L103 HydrophobicContact CD2-CD2 3.78Å; F91-L103 HydrophobicContact CE2-CD2 4.1Å; L101-L103 HydrophobicContact CD1-CD2 4.25Å; L101-L103 HydrophobicContact CD2-CD2 4.23Å; L101-L103 HydrophobicContact CG-CD2 4.02Å
104	A	97.6	Very high	97.1	Very high	6 Å²	6	60.1 Å²	60.1	5%	0.05	32%	0.316	C	S	.	.			trans	-100.5	166.1	-171.1	0	0	0	0	0	111.8	V69 M70 P71 P85 Y108	V69-A104 PolarHBondContact O-N 3.15Å; M70-A104 HydrophobicContact CG-CB 4.29Å; P71-A104 WeakPolarHBondContact CD-O 3.18Å; P85-A104 WeakPolarHBondContact CA-O 3.2Å; A104-Y108 HydrophobicContact CB-CD1 4.23Å; A104-Y108 HydrophobicContact CB-CD2 3.54Å; A104-Y108 HydrophobicContact CB-CE1 4.36Å; A104-Y108 HydrophobicContact CB-CE2 3.73Å; A104-Y108 HydrophobicContact CB-CG 3.83Å
105	T	97.7	Very high	97.1	Very high	53 Å²	53	64.4 Å²	64.4	33%	0.325	34%	0.342	S	S	.	.			trans	-76.3	167.2	169.8	51.5	0	0	0	0	111.3	Q83 P85 P107 Y108	Q83-T105 WeakPolarHBondContact O-CA 3.32Å; Q83-T105 WeakPolarHBondContact O-CB 3.32Å; P85-T105 HydrophobicContact CG-CG2 4.01Å; T105-P107 CarbonylContact C-O 3.6Å; T105-P107 CarbonylContact O-C 3.55Å; T105-P107 PolarHBondContact OG1-O 3.06Å; T105-Y108 WeakPolarHBondContact O-CB 3.24Å
106	N	97.4	Very high	97.2	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-120.3	117.2	161.3	176.7	19.8	0	0	0	108.2	M70 P71 P82 Q83 T120 S121 E123	M70-N106 HydrophobicContact CE-CB 4.23Å; P71-N106 HydrophobicContact CG-CB 3.81Å; P71-N106 PolarHBondContact O-ND2 3.13Å; P82-N106 CarbonylContact C-O 3.58Å; P82-N106 WeakPolarHBondContact CA-O 3.34Å; Q83-N106 HydrophobicContact CB-CB 4.06Å; Q83-N106 HydrophobicContact CG-CB 4.35Å; Q83-N106 PolarHBondContact N-O 3.36Å; Q83-N106 PolarHBondContact O-N 3.14Å; Q83-N106 PolarHBondContact OE1-ND2 3.37Å; Q83-N106 VanDerWaalsContact OE1-ND2 3.08Å; N106-T120 VanDerWaalsContact OD1-CA 3.25Å; N106-T120 WeakPolarHBondContact OD1-CA 3.37Å; N106-T120 WeakPolarHBondContact OD1-CB 3.3Å; N106-S121 WeakPolarHBondContact ND2-CB 3.31Å; N106-S121 PolarHBondContact ND2-OG 3Å; N106-S121 PolarHBondContact OD1-N 3.19Å; N106-S121 VanDerWaalsContact OD1-N 3.13Å; N106-E123 PolarHBondContact ND2-OE2 3.37Å
107	P	97.7	Very high	97.2	Very high	41 Å²	41	64.5 Å²	64.5	27%	0.266	34%	0.344	S	S	.	.	S	Bend	cis	-67.9	162.7	3.6	-17.4	32	0	0	0	114.1	M81 T105 M118 G119 T120	M81-P107 VanDerWaalsContact CE-CD 3.5Å; M81-P107 HydrophobicContact CE-CG 3.64Å; T105-P107 CarbonylContact C-O 3.6Å; T105-P107 CarbonylContact O-C 3.55Å; T105-P107 PolarHBondContact OG1-O 3.06Å; P107-M118 HydrophobicContact CB-CE 4.42Å; P107-G119 WeakPolarHBondContact CA-O 3.28Å; P107-T120 HydrophobicContact CB-CG2 3.99Å; P107-T120 HydrophobicContact CG-CG2 4.02Å
108	Y	98.2	Very high	97.2	Very high	26 Å²	26	68.5 Å²	68.5	10%	0.102	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.3	176.7	-176.9	-139.2	0	0	0	111.5	D68 M70 N102 A104 T105 F110 M118 G119	D68-Y108 HydrophobicContact CB-CE1 3.67Å; D68-Y108 PolarHBondContact OD1-OH 3.48Å; D68-Y108 VanDerWaalsContact OD1-OH 3.06Å; D68-Y108 WeakPolarHBondContact OD2-CE1 3.49Å; D68-Y108 PolarHBondContact OD2-OH 3.35Å; M70-Y108 HydrophobicContact CG-CD1 4.15Å; M70-Y108 HydrophobicContact CG-CG 4.19Å; M70-Y108 WeakPolarHBondContact SD-CB 3.48Å; M70-Y108 HydrophobicContact SD-CD1 4.03Å; M70-Y108 HydrophobicContact SD-CG 4.21Å; N102-Y108 PolarHBondContact ND2-OH 2.78Å; A104-Y108 HydrophobicContact CB-CD1 4.23Å; A104-Y108 HydrophobicContact CB-CD2 3.54Å; A104-Y108 HydrophobicContact CB-CE1 4.36Å; A104-Y108 HydrophobicContact CB-CE2 3.73Å; A104-Y108 HydrophobicContact CB-CG 3.83Å; T105-Y108 WeakPolarHBondContact O-CB 3.24Å; Y108-F110 AromaticContact CD1-CD1 3.83Å; Y108-F110 HydrophobicContact CD1-CD1 3.83Å; Y108-F110 HydrophobicContact CD1-CE1 4.25Å; Y108-F110 HydrophobicContact CE1-CB 4.3Å; Y108-F110 AromaticContact CE1-CD1 3.29Å; Y108-F110 HydrophobicContact CE1-CD1 3.29Å; Y108-F110 AromaticContact CE1-CE1 3.81Å; Y108-F110 HydrophobicContact CE1-CE1 3.81Å; Y108-F110 HydrophobicContact CE1-CG 4.03Å; Y108-F110 HydrophobicContact CE2-CB 4.3Å; Y108-F110 AromaticContact CZ-CD1 3.73Å; Y108-M118 VanDerWaalsContact O-CA 3.3Å; Y108-M118 WeakPolarHBondContact O-CA 3.22Å; Y108-G119 PolarHBondContact N-O 3.25Å; Y108-G119 PolarHBondContact O-N 2.93Å
109	Y	98	Very high	97.2	Very high	129 Å²	129	68.5 Å²	68.5	51%	0.506	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.5	174.1	166.2	-90.5	0	0	0	109.7	H116 I117 M118	Y109-H116 HydrophobicContact CE2-CB 4.07Å; Y109-H116 AromaticContact CZ-ND1 3.7Å; Y109-H116 PolarHBondContact OH-CE1 2.89Å; Y109-H116 PolarHBondContact OH-ND1 2.96Å; Y109-I117 VanDerWaalsContact CA-O 3.32Å; Y109-I117 WeakPolarHBondContact CA-O 3.38Å; Y109-M118 HydrophobicContact CD2-CB 4.21Å
110	F	97.2	Very high	97.2	Very high	20 Å²	20	62.5 Å²	62.5	9%	0.088	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	167.5	169.7	69.3	-78.1	0	0	0	111.3	V17 Y108 L112 I117	V17-F110 HydrophobicContact CG2-CE1 3.95Å; V17-F110 HydrophobicContact CG2-CZ 3.87Å; Y108-F110 AromaticContact CD1-CD1 3.83Å; Y108-F110 HydrophobicContact CD1-CD1 3.83Å; Y108-F110 HydrophobicContact CD1-CE1 4.25Å; Y108-F110 HydrophobicContact CE1-CB 4.3Å; Y108-F110 AromaticContact CE1-CD1 3.29Å; Y108-F110 HydrophobicContact CE1-CD1 3.29Å; Y108-F110 AromaticContact CE1-CE1 3.81Å; Y108-F110 HydrophobicContact CE1-CE1 3.81Å; Y108-F110 HydrophobicContact CE1-CG 4.03Å; Y108-F110 HydrophobicContact CE2-CB 4.3Å; Y108-F110 AromaticContact CZ-CD1 3.73Å; F110-L112 HydrophobicContact CD2-CB 4.45Å; F110-L112 HydrophobicContact CE2-CB 4.22Å; F110-I117 HydrophobicContact CD1-CB 4.14Å; F110-I117 HydrophobicContact CD1-CG2 4.35Å; F110-I117 HydrophobicContact CE1-CB 3.71Å; F110-I117 HydrophobicContact CE1-CD1 4.24Å; F110-I117 HydrophobicContact CE1-CG2 3.61Å; F110-I117 HydrophobicContact CE2-CB 4.42Å; F110-I117 HydrophobicContact CE2-CD1 3.77Å; F110-I117 HydrophobicContact CZ-CB 3.87Å; F110-I117 HydrophobicContact CZ-CD1 3.48Å; F110-I117 VanDerWaalsContact CZ-CD1 3.48Å; F110-I117 HydrophobicContact CZ-CG1 4.24Å; F110-I117 HydrophobicContact CZ-CG2 3.97Å; F110-I117 PolarHBondContact N-O 3.46Å; F110-I117 PolarHBondContact O-N 2.81Å
111	S	97.3	Very high	97.1	Very high	57 Å²	57	60.3 Å²	60.3	40%	0.399	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.3	171.7	-174.7	0	0	0	0	110.3	V115	S111-V115 CarbonylContact C-O 3.43Å; S111-V115 WeakPolarHBondContact CA-O 3.45Å; S111-V115 PolarHBondContact OG-O 3.44Å
112	L	95.2	Very high	96.9	Very high	56 Å²	56	63.4 Å²	63.4	29%	0.293	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	114	176.3	-179.6	67.4	0	0	0	108.2	V14 F110 G114 V115	V14-L112 HydrophobicContact CG2-CD1 4.28Å; V14-L112 HydrophobicContact CG2-CD2 3.65Å; F110-L112 HydrophobicContact CD2-CB 4.45Å; F110-L112 HydrophobicContact CE2-CB 4.22Å; L112-G114 PolarHBondContact O-N 2.93Å; L112-G114 VanDerWaalsContact O-N 3.13Å; L112-V115 PolarHBondContact N-O 2.84Å; L112-V115 WeakPolarHBondContact O-CB 3.39Å; L112-V115 PolarHBondContact O-N 2.95Å
113	E	95	Very high	96.3	Very high	195 Å²	195	65.8 Å²	65.8	91%	0.911	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	39.8	-179.9	-58	-167.9	152.6	0	0	114.1	V115	E113-V115 VanDerWaalsContact C-N 3.26Å; E113-V115 PolarHBondContact O-N 3.17Å
114	G	96.5	Very high	96.2	Very high	58 Å²	58	68.5 Å²	68.5	60%	0.598	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-5.2	-179.5	0	0	0	0	0	114.8	L112	L112-G114 PolarHBondContact O-N 2.93Å; L112-G114 VanDerWaalsContact O-N 3.13Å
115	V	97.4	Very high	96.1	Very high	91 Å²	91	71.7 Å²	71.7	55%	0.552	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.9	167.8	-174.4	0	0	0	0	108.3	S111 L112 E113 I117	S111-V115 CarbonylContact C-O 3.43Å; S111-V115 WeakPolarHBondContact CA-O 3.45Å; S111-V115 PolarHBondContact OG-O 3.44Å; L112-V115 PolarHBondContact N-O 2.84Å; L112-V115 WeakPolarHBondContact O-CB 3.39Å; L112-V115 PolarHBondContact O-N 2.95Å; E113-V115 VanDerWaalsContact C-N 3.26Å; E113-V115 PolarHBondContact O-N 3.17Å; V115-I117 HydrophobicContact CG1-CG1 4.19Å
116	H	97.6	Very high	96.1	Very high	124 Å²	124	72.8 Å²	72.8	57%	0.574	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.1	177.3	-63.5	-74.7	0	0	0	109.7	Y109	Y109-H116 HydrophobicContact CE2-CB 4.07Å; Y109-H116 AromaticContact CZ-ND1 3.7Å; Y109-H116 PolarHBondContact OH-CE1 2.89Å; Y109-H116 PolarHBondContact OH-ND1 2.96Å
117	I	97.8	Very high	96	Very high	72 Å²	72	77.1 Å²	77.1	37%	0.369	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.6	-177.5	-60.5	168.7	0	0	0	107.8	Y109 F110 V115	Y109-I117 VanDerWaalsContact CA-O 3.32Å; Y109-I117 WeakPolarHBondContact CA-O 3.38Å; F110-I117 HydrophobicContact CD1-CB 4.14Å; F110-I117 HydrophobicContact CD1-CG2 4.35Å; F110-I117 HydrophobicContact CE1-CB 3.71Å; F110-I117 HydrophobicContact CE1-CD1 4.24Å; F110-I117 HydrophobicContact CE1-CG2 3.61Å; F110-I117 HydrophobicContact CE2-CB 4.42Å; F110-I117 HydrophobicContact CE2-CD1 3.77Å; F110-I117 HydrophobicContact CZ-CB 3.87Å; F110-I117 HydrophobicContact CZ-CD1 3.48Å; F110-I117 VanDerWaalsContact CZ-CD1 3.48Å; F110-I117 HydrophobicContact CZ-CG1 4.24Å; F110-I117 HydrophobicContact CZ-CG2 3.97Å; F110-I117 PolarHBondContact N-O 3.46Å; F110-I117 PolarHBondContact O-N 2.81Å; V115-I117 HydrophobicContact CG1-CG1 4.19Å
118	M	97.3	Very high	95.9	Very high	143 Å²	143	79.3 Å²	79.3	70%	0.704	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.7	174.6	-171.8	174.6	177.5	0	0	109	P107 Y108 Y109	P107-M118 HydrophobicContact CB-CE 4.42Å; Y108-M118 VanDerWaalsContact O-CA 3.3Å; Y108-M118 WeakPolarHBondContact O-CA 3.22Å; Y109-M118 HydrophobicContact CD2-CB 4.21Å
119	G	96.8	Very high	95.7	Very high	33 Å²	33	82.9 Å²	82.9	34%	0.34	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	167.8	179.7	0	0	0	0	0	112.9	P107 Y108	P107-G119 WeakPolarHBondContact CA-O 3.28Å; Y108-G119 PolarHBondContact N-O 3.25Å; Y108-G119 PolarHBondContact O-N 2.93Å
120	T	96.9	Very high	95.6	Very high	67 Å²	67	79.6 Å²	79.6	41%	0.411	47%	0.471	S	S	.	.			trans	-120	170.2	170.2	66.5	0	0	0	0	109.1	M81 N106 P107 G122	M81-T120 HydrophobicContact CE-CG2 4.35Å; N106-T120 VanDerWaalsContact OD1-CA 3.25Å; N106-T120 WeakPolarHBondContact OD1-CA 3.37Å; N106-T120 WeakPolarHBondContact OD1-CB 3.3Å; P107-T120 HydrophobicContact CB-CG2 3.99Å; P107-T120 HydrophobicContact CG-CG2 4.02Å; T120-G122 PolarHBondContact O-N 2.84Å; T120-G122 PolarHBondContact OG1-N 2.92Å
121	S	95.4	Very high	95.4	Very high	25 Å²	25	84.2 Å²	84.2	18%	0.175	50%	0.5	C	S	.	.			trans	-81.9	5.6	173.5	-55.8	0	0	0	0	114	G20 P71 N106 E123	G20-S121 WeakPolarHBondContact CA-OG 3.38Å; G20-S121 PolarHBondContact N-OG 3.36Å; P71-S121 WeakPolarHBondContact O-CB 3.1Å; P71-S121 PolarHBondContact O-OG 3.08Å; N106-S121 WeakPolarHBondContact ND2-CB 3.31Å; N106-S121 PolarHBondContact ND2-OG 3Å; N106-S121 PolarHBondContact OD1-N 3.19Å; N106-S121 VanDerWaalsContact OD1-N 3.13Å; S121-E123 WeakPolarHBondContact CB-OE2 3.35Å
122	G	92.7	Very high	95.3	Very high	65 Å²	65	86.4 Å²	86.4	67%	0.67	51%	0.509	S	S	*	.			trans	94.3	8.8	171.9	0	0	0	0	0	116.2	T120	T120-G122 PolarHBondContact O-N 2.84Å; T120-G122 PolarHBondContact OG1-N 2.92Å
123	E	84.8	Confident	95.3	Very high	108 Å²	108	89.2 Å²	89.2	51%	0.505	53%	0.528	S	S	.	.			trans	-65.9	0	166	-57.9	84.8	175.5	0	0	113.1	G72 L73 N106 S121	G72-E123 WeakPolarHBondContact CA-OE1 3.14Å; L73-E123 HydrophobicContact CD1-CG 3.75Å; L73-E123 HydrophobicContact CD2-CG 3.8Å; L73-E123 HydrophobicContact CG-CG 3.45Å; L73-E123 VanDerWaalsContact CG-CG 3.45Å; L73-E123 PolarHBondContact N-OE1 3.1Å; L73-E123 VanDerWaalsContact N-OE1 3.15Å; N106-E123 PolarHBondContact ND2-OE2 3.37Å; S121-E123 WeakPolarHBondContact CB-OE2 3.35Å

Retrieved 123 of 123 residues in 93.7 ms (Link to these results)

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