A0A077Z4Z1_TRITR Loading...

Zf-U1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4Z1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 aa.

						>A0A077Z4Z1_TRITR|A0A077Z4Z1
MPKYFCDYCDTFLTHDTPSVRKTHNSGRKHRENVRMYYQQWLEEQAQKLVDATARAFRESNVMRNPVGMMPPPGAMLIPGASSDHFELRLVGVAFLSKFFFQCL
					

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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	63.7	Low	86.5	Confident	219 Å²	219	90.5 Å²	90.5	100%	1.079	46%	0.458	S	S	*	.				0	110.1	0	-160.8	89.8	89.4	0	0	107.6	K3	M1-K3 PolarHBondContact O-N 3.13Å
2	P	71.2	Confident	86.8	Confident	117 Å²	117	94 Å²	94	76%	0.76	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-62.7	123.6	176.9	25.4	-29.8	0	0	0	108.7
3	K	79.4	Confident	86.9	Confident	144 Å²	144	88.5 Å²	88.5	63%	0.626	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-74.9	135.7	176.2	-66.2	-179.5	179.9	177.5	0	108.1	M1 F5 F12	M1-K3 PolarHBondContact O-N 3.13Å; K3-F5 PolarHBondContact O-N 3Å; K3-F12 HydrophobicContact CB-CD1 4.29Å
4	Y	86.5	Confident	86.8	Confident	51 Å²	51	90 Å²	90	20%	0.2	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-64.6	125.5	174.5	176.6	-124.1	0	0	0	110.2	C6 L13 R21	Y4-C6 HydrophobicContact CE1-CB 4.38Å; Y4-L13 HydrophobicContact CD1-CB 4.16Å; Y4-L13 HydrophobicContact CD1-CD2 3.83Å; Y4-L13 PolarHBondContact O-N 3.31Å; Y4-R21 HydrophobicContact CD1-CG 4.27Å; Y4-R21 VanDerWaalsContact CD2-CZ 3.44Å; Y4-R21 HydrophobicContact CE1-CG 3.9Å; Y4-R21 VanDerWaalsContact CZ-NH1 3.27Å
5	F	91.7	Very high	86.4	Confident	65 Å²	65	92.6 Å²	92.6	29%	0.285	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.6	171.3	-177.9	-106.3	0	0	0	109	K3 D10 F12	K3-F5 PolarHBondContact O-N 3Å; F5-D10 HydrophobicContact CZ-CB 4.49Å; F5-F12 HydrophobicContact CB-CD1 3.86Å; F5-F12 HydrophobicContact CB-CE1 3.74Å; F5-F12 AromaticContact CD2-CD1 3.73Å; F5-F12 HydrophobicContact CD2-CD1 3.73Å; F5-F12 AromaticContact CD2-CD2 3.99Å; F5-F12 HydrophobicContact CD2-CD2 3.99Å; F5-F12 AromaticContact CD2-CE1 3.57Å; F5-F12 HydrophobicContact CD2-CE1 3.57Å; F5-F12 AromaticContact CD2-CE2 3.83Å; F5-F12 HydrophobicContact CD2-CE2 3.83Å; F5-F12 AromaticContact CD2-CG 3.94Å; F5-F12 HydrophobicContact CD2-CG 3.94Å; F5-F12 AromaticContact CD2-CZ 3.61Å; F5-F12 HydrophobicContact CD2-CZ 3.61Å; F5-F12 HydrophobicContact CE2-CD2 4.38Å; F5-F12 HydrophobicContact CE2-CE2 4.06Å; F5-F12 HydrophobicContact CE2-CZ 4.13Å; F5-F12 HydrophobicContact CG-CD1 4.25Å; F5-F12 AromaticContact CG-CE1 3.96Å; F5-F12 HydrophobicContact CG-CE1 3.96Å; F5-F12 HydrophobicContact CG-CZ 4.29Å
6	C	92.8	Very high	86.2	Confident	2 Å²	2	91.4 Å²	91.4	1%	0.014	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.3	171.6	176.7	0	0	0	0	109.9	Y4 Y8 C9 D10 T11 H24 H30	Y4-C6 HydrophobicContact CE1-CB 4.38Å; C6-Y8 VanDerWaalsContact C-N 3.27Å; C6-Y8 PolarHBondContact O-N 3.09Å; C6-C9 HydrophobicContact CB-CB 4.13Å; C6-C9 PolarHBondContact O-N 3.24Å; C6-C9 VanDerWaalsContact O-N 3.12Å; C6-D10 PolarHBondContact O-N 3.49Å; C6-T11 PolarHBondContact N-O 3.37Å; C6-H24 WeakPolarHBondContact CB-NE2 3.49Å; C6-H24 PolarHBondContact SG-NE2 3.05Å; C6-H30 PolarHBondContact SG-CE1 3.46Å; C6-H30 PolarHBondContact SG-ND1 3.29Å
7	D	93.8	Very high	86.3	Confident	121 Å²	121	89.5 Å²	89.5	65%	0.647	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.5	-179	-52.5	-73.1	0	0	0	113.1	C9	D7-C9 VanDerWaalsContact C-N 3.34Å
8	Y	93.7	Very high	86.3	Confident	80 Å²	80	90.8 Å²	90.8	31%	0.314	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-24.3	177.9	-57.8	-66.1	0	0	0	113.1	C6 H30 N33 V34 Y37	C6-Y8 VanDerWaalsContact C-N 3.27Å; C6-Y8 PolarHBondContact O-N 3.09Å; Y8-H30 AromaticContact CD2-CE1 3.74Å; Y8-N33 WeakPolarHBondContact O-CB 3.1Å; Y8-N33 PolarHBondContact O-ND2 2.92Å; Y8-V34 HydrophobicContact CD1-CG2 4.02Å; Y8-V34 HydrophobicContact CD2-CG2 3.56Å; Y8-V34 HydrophobicContact CE1-CG2 4.38Å; Y8-V34 HydrophobicContact CE2-CG2 3.95Å; Y8-V34 HydrophobicContact CG-CG2 3.59Å; Y8-Y37 HydrophobicContact CD1-CD1 4.39Å; Y8-Y37 HydrophobicContact CD1-CG 4.2Å; Y8-Y37 AromaticContact CE1-CD1 3.82Å; Y8-Y37 HydrophobicContact CE1-CD1 3.82Å; Y8-Y37 HydrophobicContact CE1-CE1 4.24Å; Y8-Y37 HydrophobicContact CE1-CG 4.09Å
9	C	93.5	Very high	86.5	Confident	10 Å²	10	90.3 Å²	90.3	7%	0.068	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-3.3	-173.5	-71.9	0	0	0	0	113.8	C6 D7 T11	C6-C9 HydrophobicContact CB-CB 4.13Å; C6-C9 PolarHBondContact O-N 3.24Å; C6-C9 VanDerWaalsContact O-N 3.12Å; D7-C9 VanDerWaalsContact C-N 3.34Å; C9-T11 HydrophobicContact CB-CG2 3.61Å; C9-T11 PolarHBondContact O-N 2.86Å; C9-T11 VanDerWaalsContact O-N 3.17Å
10	D	93.2	Very high	86.7	Confident	131 Å²	131	88.3 Å²	88.3	70%	0.701	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	43	-173	-66	-46.4	0	0	0	112.8	F5 C6	F5-D10 HydrophobicContact CZ-CB 4.49Å; C6-D10 PolarHBondContact O-N 3.49Å
11	T	91.7	Very high	86.9	Confident	56 Å²	56	87.5 Å²	87.5	34%	0.344	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.9	-172.3	-161.7	0	0	0	0	112.6	C6 C9	C6-T11 PolarHBondContact N-O 3.37Å; C9-T11 HydrophobicContact CB-CG2 3.61Å; C9-T11 PolarHBondContact O-N 2.86Å; C9-T11 VanDerWaalsContact O-N 3.17Å
12	F	90.3	Very high	88.2	Confident	132 Å²	132	84.7 Å²	84.7	58%	0.579	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	129.4	172	-67.6	-81	0	0	0	110.2	K3 F5	K3-F12 HydrophobicContact CB-CD1 4.29Å; F5-F12 HydrophobicContact CB-CD1 3.86Å; F5-F12 HydrophobicContact CB-CE1 3.74Å; F5-F12 AromaticContact CD2-CD1 3.73Å; F5-F12 HydrophobicContact CD2-CD1 3.73Å; F5-F12 AromaticContact CD2-CD2 3.99Å; F5-F12 HydrophobicContact CD2-CD2 3.99Å; F5-F12 AromaticContact CD2-CE1 3.57Å; F5-F12 HydrophobicContact CD2-CE1 3.57Å; F5-F12 AromaticContact CD2-CE2 3.83Å; F5-F12 HydrophobicContact CD2-CE2 3.83Å; F5-F12 AromaticContact CD2-CG 3.94Å; F5-F12 HydrophobicContact CD2-CG 3.94Å; F5-F12 AromaticContact CD2-CZ 3.61Å; F5-F12 HydrophobicContact CD2-CZ 3.61Å; F5-F12 HydrophobicContact CE2-CD2 4.38Å; F5-F12 HydrophobicContact CE2-CE2 4.06Å; F5-F12 HydrophobicContact CE2-CZ 4.13Å; F5-F12 HydrophobicContact CG-CD1 4.25Å; F5-F12 AromaticContact CG-CE1 3.96Å; F5-F12 HydrophobicContact CG-CE1 3.96Å; F5-F12 HydrophobicContact CG-CZ 4.29Å
13	L	88.1	Confident	89.3	Confident	22 Å²	22	83.5 Å²	83.5	12%	0.115	43%	0.431	C	S	.	.			trans	-75.4	127.9	173.4	-155.8	58.5	0	0	0	109.7	Y4 H15 V20 R21 H24	Y4-L13 HydrophobicContact CD1-CB 4.16Å; Y4-L13 HydrophobicContact CD1-CD2 3.83Å; Y4-L13 PolarHBondContact O-N 3.31Å; L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 PolarHBondContact O-N 3.26Å; L13-V20 HydrophobicContact CD1-CG1 3.63Å; L13-V20 HydrophobicContact CD2-CB 4.16Å; L13-V20 HydrophobicContact CD2-CG1 3.6Å; L13-V20 HydrophobicContact CG-CG1 3.66Å; L13-R21 HydrophobicContact CD2-CB 4.43Å; L13-H24 HydrophobicContact CD1-CB 4.37Å
14	T	85.2	Confident	89.9	Confident	110 Å²	110	78.3 Å²	78.3	68%	0.675	41%	0.409	S	S	*	.	S	Bend	trans	-65.4	-35.9	-177.6	51.1	0	0	0	0	112.4
15	H	81.4	Confident	90.2	Very high	129 Å²	129	78.9 Å²	78.9	60%	0.597	42%	0.416	S	S	*	.	S	Bend	trans	-129.3	109.2	178.3	-61.5	-69.3	0	0	0	109.8	L13 T17 V20	L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 PolarHBondContact O-N 3.26Å; H15-T17 VanDerWaalsContact C-N 3.26Å; H15-T17 PolarHBondContact O-N 3.4Å; H15-V20 WeakPolarHBondContact O-CB 3.21Å
16	D	82.4	Confident	90.2	Very high	73 Å²	73	78.8 Å²	78.8	39%	0.39	42%	0.423	S	S	.	.			trans	-79.7	76.9	173.8	-170.7	8.6	0	0	0	110.6	R21	D16-R21 IonicContact OD1-CZ 3.44Å; D16-R21 IonicContact OD1-NE 3.48Å; D16-R21 PolarHBondContact OD1-NE 2.94Å; D16-R21 IonicContact OD1-NH2 2.89Å; D16-R21 PolarHBondContact OD1-NH2 2.96Å; D16-R21 IonicContact OD2-NH2 2.67Å; D16-R21 PolarHBondContact OD2-NH2 3.22Å
17	T	87.7	Confident	90.3	Very high	59 Å²	59	79.8 Å²	79.8	36%	0.362	43%	0.434	S	S	.	.			trans	-109.3	150	166.1	68.3	0	0	0	0	108.9	H15 S19 V20 R21	H15-T17 VanDerWaalsContact C-N 3.26Å; H15-T17 PolarHBondContact O-N 3.4Å; T17-S19 PolarHBondContact O-N 3.47Å; T17-S19 VanDerWaalsContact O-N 3.16Å; T17-V20 PolarHBondContact O-N 3.32Å; T17-V20 VanDerWaalsContact O-N 3.13Å; T17-V20 WeakPolarHBondContact OG1-CB 3.38Å; T17-V20 WeakPolarHBondContact OG1-CG2 3.26Å; T17-V20 PolarHBondContact OG1-N 3.2Å; T17-R21 PolarHBondContact O-N 3.25Å
18	P	87.5	Confident	90.3	Very high	113 Å²	113	83.7 Å²	83.7	73%	0.734	44%	0.439	S	S	*	.	H	α-helix	trans	-57.3	-33.1	178.7	22.2	-33.6	0	0	0	112.3	K22	P18-K22 WeakPolarHBondContact O-CB 3.18Å; P18-K22 PolarHBondContact O-N 3.23Å
19	S	89.4	Confident	90.2	Very high	82 Å²	82	86.1 Å²	86.1	57%	0.573	45%	0.451	S	S	*	.	H	α-helix	trans	-65	-50.9	175.6	-174.6	0	0	0	0	112	T17 R21 K22 T23	T17-S19 PolarHBondContact O-N 3.47Å; T17-S19 VanDerWaalsContact O-N 3.16Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 2.88Å; S19-K22 PolarHBondContact O-N 3.47Å; S19-T23 PolarHBondContact O-N 3.49Å; S19-T23 PolarHBondContact O-OG1 2.88Å; S19-T23 VanDerWaalsContact O-OG1 3.11Å
20	V	90.4	Very high	90.3	Very high	49 Å²	49	86.6 Å²	86.6	30%	0.297	45%	0.453	S	S	.	.	H	α-helix	trans	-63.7	-39	-179.3	-178.7	0	0	0	0	110.7	L13 H15 T17 T23 H24	L13-V20 HydrophobicContact CD1-CG1 3.63Å; L13-V20 HydrophobicContact CD2-CB 4.16Å; L13-V20 HydrophobicContact CD2-CG1 3.6Å; L13-V20 HydrophobicContact CG-CG1 3.66Å; H15-V20 WeakPolarHBondContact O-CB 3.21Å; T17-V20 PolarHBondContact O-N 3.32Å; T17-V20 VanDerWaalsContact O-N 3.13Å; T17-V20 WeakPolarHBondContact OG1-CB 3.38Å; T17-V20 WeakPolarHBondContact OG1-CG2 3.26Å; T17-V20 PolarHBondContact OG1-N 3.2Å; V20-T23 PolarHBondContact O-N 3.46Å; V20-H24 WeakPolarHBondContact O-CB 3.27Å; V20-H24 PolarHBondContact O-N 3.48Å
21	R	91.5	Very high	90.3	Very high	73 Å²	73	85.8 Å²	85.8	28%	0.275	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-44.4	174.5	-175.3	-173.9	-61.8	-103.8	1.5	112.3	Y4 L13 D16 T17 S19 T23 H24 N25	Y4-R21 HydrophobicContact CD1-CG 4.27Å; Y4-R21 VanDerWaalsContact CD2-CZ 3.44Å; Y4-R21 HydrophobicContact CE1-CG 3.9Å; Y4-R21 VanDerWaalsContact CZ-NH1 3.27Å; L13-R21 HydrophobicContact CD2-CB 4.43Å; D16-R21 IonicContact OD1-CZ 3.44Å; D16-R21 IonicContact OD1-NE 3.48Å; D16-R21 PolarHBondContact OD1-NE 2.94Å; D16-R21 IonicContact OD1-NH2 2.89Å; D16-R21 PolarHBondContact OD1-NH2 2.96Å; D16-R21 IonicContact OD2-NH2 2.67Å; D16-R21 PolarHBondContact OD2-NH2 3.22Å; T17-R21 PolarHBondContact O-N 3.25Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 2.88Å; R21-T23 VanDerWaalsContact C-N 3.34Å; R21-T23 PolarHBondContact O-N 3.24Å; R21-H24 PolarHBondContact O-N 2.75Å; R21-N25 PolarHBondContact O-N 3.25Å; R21-N25 PolarHBondContact O-OD1 3.25Å
22	K	91.2	Very high	90.4	Very high	160 Å²	160	87.8 Å²	87.8	70%	0.696	45%	0.445	S	S	*	.	H	α-helix	trans	-62	-42.3	176.5	-169.3	177.4	-177.5	-178.8	0	111.5	P18 S19 S26	P18-K22 WeakPolarHBondContact O-CB 3.18Å; P18-K22 PolarHBondContact O-N 3.23Å; S19-K22 PolarHBondContact O-N 3.47Å; K22-S26 WeakPolarHBondContact O-CB 3.31Å; K22-S26 PolarHBondContact O-N 3.21Å; K22-S26 PolarHBondContact O-OG 3.36Å
23	T	93.4	Very high	90.5	Very high	91 Å²	91	83.8 Å²	83.8	56%	0.558	43%	0.43	S	S	*	.	H	α-helix	trans	-65.5	-38.9	175.5	-57	0	0	0	0	112	S19 V20 R21 S26 G27	S19-T23 PolarHBondContact O-N 3.49Å; S19-T23 PolarHBondContact O-OG1 2.88Å; S19-T23 VanDerWaalsContact O-OG1 3.11Å; V20-T23 PolarHBondContact O-N 3.46Å; R21-T23 VanDerWaalsContact C-N 3.34Å; R21-T23 PolarHBondContact O-N 3.24Å; T23-S26 PolarHBondContact O-OG 2.84Å; T23-G27 PolarHBondContact O-N 3.28Å
24	H	93.2	Very high	90.7	Very high	36 Å²	36	83.4 Å²	83.4	17%	0.167	43%	0.428	C	S	.	.	H	α-helix	trans	-63.1	-51.9	175	177.3	81.1	0	0	0	111.5	C6 L13 V20 R21 S26 G27 H30	C6-H24 WeakPolarHBondContact CB-NE2 3.49Å; C6-H24 PolarHBondContact SG-NE2 3.05Å; L13-H24 HydrophobicContact CD1-CB 4.37Å; V20-H24 WeakPolarHBondContact O-CB 3.27Å; V20-H24 PolarHBondContact O-N 3.48Å; R21-H24 PolarHBondContact O-N 2.75Å; H24-S26 VanDerWaalsContact C-N 3.31Å; H24-S26 PolarHBondContact O-N 3.47Å; H24-G27 WeakPolarHBondContact O-CA 3.17Å; H24-G27 PolarHBondContact O-N 3.42Å; H24-H30 AromaticContact CD2-ND1 3.59Å; H24-H30 AromaticContact NE2-ND1 3.28Å; H24-H30 PolarHBondContact NE2-ND1 3.49Å; H24-H30 WeakPolarHBondContact O-CB 3.34Å
25	N	91.4	Very high	91	Very high	63 Å²	63	83.2 Å²	83.2	34%	0.337	42%	0.415	S	S	.	.	H	α-helix	trans	-65	-34.6	-177.9	-66.9	0.9	0	0	0	112.4	R21 G27 H30	R21-N25 PolarHBondContact O-N 3.25Å; R21-N25 PolarHBondContact O-OD1 3.25Å; N25-G27 VanDerWaalsContact C-N 3.26Å; N25-H30 PolarHBondContact O-CD2 3.26Å
26	S	93	Very high	91.4	Very high	62 Å²	62	81.5 Å²	81.5	43%	0.434	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.4	172.8	62	0	0	0	0	113.6	K22 T23 H24 R31	K22-S26 WeakPolarHBondContact O-CB 3.31Å; K22-S26 PolarHBondContact O-N 3.21Å; K22-S26 PolarHBondContact O-OG 3.36Å; T23-S26 PolarHBondContact O-OG 2.84Å; H24-S26 VanDerWaalsContact C-N 3.31Å; H24-S26 PolarHBondContact O-N 3.47Å; S26-R31 PolarHBondContact O-NH1 2.82Å; S26-R31 PolarHBondContact O-NH2 2.85Å; S26-R31 VanDerWaalsContact O-NH2 3.15Å
27	G	93.4	Very high	91.9	Very high	24 Å²	24	83.9 Å²	83.9	25%	0.247	41%	0.413	C	S	.	.	S	Bend	trans	-71.9	146.8	175.6	0	0	0	0	0	111.6	T23 H24 N25 K29 H30 R31	T23-G27 PolarHBondContact O-N 3.28Å; H24-G27 WeakPolarHBondContact O-CA 3.17Å; H24-G27 PolarHBondContact O-N 3.42Å; N25-G27 VanDerWaalsContact C-N 3.26Å; G27-K29 VanDerWaalsContact C-N 3.32Å; G27-K29 PolarHBondContact O-N 3.42Å; G27-H30 PolarHBondContact O-N 2.79Å; G27-R31 PolarHBondContact O-N 2.85Å; G27-R31 VanDerWaalsContact O-N 3.12Å
28	R	93.6	Very high	92	Very high	203 Å²	203	84.1 Å²	84.1	77%	0.766	41%	0.408	S	S	*	.	H	α-helix	trans	-55.5	-45.9	177.8	-177	177.8	64.7	143.8	0.8	112.3	H30 R31 E32	R28-H30 PolarHBondContact O-N 2.76Å; R28-R31 PolarHBondContact O-N 2.99Å; R28-E32 WeakPolarHBondContact O-CB 3.31Å; R28-E32 PolarHBondContact O-N 2.81Å
29	K	93.5	Very high	92	Very high	130 Å²	130	81.1 Å²	81.1	57%	0.565	38%	0.384	S	S	*	.	H	α-helix	trans	-59.3	-45.2	179.8	-174.3	-178.6	178.7	-174.9	0	111.8	G27 E32 N33	G27-K29 VanDerWaalsContact C-N 3.32Å; G27-K29 PolarHBondContact O-N 3.42Å; K29-E32 PolarHBondContact O-N 2.75Å; K29-N33 WeakPolarHBondContact O-CB 3.34Å; K29-N33 VanDerWaalsContact O-CG 3.3Å; K29-N33 PolarHBondContact O-N 3.23Å; K29-N33 PolarHBondContact O-OD1 2.9Å
30	H	94.7	Very high	91.9	Very high	21 Å²	21	82.9 Å²	82.9	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-63.2	-49.8	179.1	-176.7	95.2	0	0	0	111.4	C6 Y8 H24 N25 G27 R28 E32 N33 V34	C6-H30 PolarHBondContact SG-CE1 3.46Å; C6-H30 PolarHBondContact SG-ND1 3.29Å; Y8-H30 AromaticContact CD2-CE1 3.74Å; H24-H30 AromaticContact CD2-ND1 3.59Å; H24-H30 AromaticContact NE2-ND1 3.28Å; H24-H30 PolarHBondContact NE2-ND1 3.49Å; H24-H30 WeakPolarHBondContact O-CB 3.34Å; N25-H30 PolarHBondContact O-CD2 3.26Å; G27-H30 PolarHBondContact O-N 2.79Å; R28-H30 PolarHBondContact O-N 2.76Å; H30-E32 VanDerWaalsContact C-N 3.31Å; H30-E32 PolarHBondContact O-N 3.05Å; H30-N33 PolarHBondContact O-N 3.35Å; H30-V34 WeakPolarHBondContact O-CB 3.21Å; H30-V34 VanDerWaalsContact O-CG2 3.26Å; H30-V34 WeakPolarHBondContact O-CG2 3.48Å; H30-V34 PolarHBondContact O-N 3.37Å
31	R	92.5	Very high	91.9	Very high	113 Å²	113	86.1 Å²	86.1	43%	0.426	39%	0.39	S	S	.	.	H	α-helix	trans	-59.1	-40.5	177.8	-72.2	-167.3	-68.2	-102.2	-8.7	113.2	S26 G27 R28 R35	S26-R31 PolarHBondContact O-NH1 2.82Å; S26-R31 PolarHBondContact O-NH2 2.85Å; S26-R31 VanDerWaalsContact O-NH2 3.15Å; G27-R31 PolarHBondContact O-N 2.85Å; G27-R31 VanDerWaalsContact O-N 3.12Å; R28-R31 PolarHBondContact O-N 2.99Å; R31-R35 WeakPolarHBondContact O-CB 3.3Å; R31-R35 PolarHBondContact O-N 3.43Å
32	E	93.5	Very high	91.6	Very high	99 Å²	99	84 Å²	84	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-66	-45	177.6	-175.8	166.5	-155.6	0	0	111.7	R28 K29 H30 V34 R35 M36	R28-E32 WeakPolarHBondContact O-CB 3.31Å; R28-E32 PolarHBondContact O-N 2.81Å; K29-E32 PolarHBondContact O-N 2.75Å; H30-E32 VanDerWaalsContact C-N 3.31Å; H30-E32 PolarHBondContact O-N 3.05Å; E32-V34 PolarHBondContact O-N 3.16Å; E32-R35 WeakPolarHBondContact O-CB 3.36Å; E32-R35 PolarHBondContact O-N 3.34Å; E32-M36 WeakPolarHBondContact O-CG 3.4Å; E32-M36 PolarHBondContact O-N 2.88Å
33	N	93.3	Very high	91.5	Very high	48 Å²	48	81.7 Å²	81.7	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-41.4	176.7	-73.3	13	0	0	0	112.4	Y8 K29 H30 R35 M36 Y37	Y8-N33 WeakPolarHBondContact O-CB 3.1Å; Y8-N33 PolarHBondContact O-ND2 2.92Å; K29-N33 WeakPolarHBondContact O-CB 3.34Å; K29-N33 VanDerWaalsContact O-CG 3.3Å; K29-N33 PolarHBondContact O-N 3.23Å; K29-N33 PolarHBondContact O-OD1 2.9Å; H30-N33 PolarHBondContact O-N 3.35Å; N33-R35 VanDerWaalsContact C-N 3.3Å; N33-R35 PolarHBondContact O-N 3.4Å; N33-M36 PolarHBondContact O-N 3.41Å; N33-Y37 WeakPolarHBondContact O-CB 3.24Å; N33-Y37 PolarHBondContact O-N 3.22Å
34	V	93	Very high	91.3	Very high	13 Å²	13	82.1 Å²	82.1	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-60	-42.9	173.6	171.1	0	0	0	0	110.5	Y8 H30 E32 Y37 Y38 L104	Y8-V34 HydrophobicContact CD1-CG2 4.02Å; Y8-V34 HydrophobicContact CD2-CG2 3.56Å; Y8-V34 HydrophobicContact CE1-CG2 4.38Å; Y8-V34 HydrophobicContact CE2-CG2 3.95Å; Y8-V34 HydrophobicContact CG-CG2 3.59Å; H30-V34 WeakPolarHBondContact O-CB 3.21Å; H30-V34 VanDerWaalsContact O-CG2 3.26Å; H30-V34 WeakPolarHBondContact O-CG2 3.48Å; H30-V34 PolarHBondContact O-N 3.37Å; E32-V34 PolarHBondContact O-N 3.16Å; V34-Y37 PolarHBondContact O-N 3.04Å; V34-Y38 HydrophobicContact CG1-CD2 4Å; V34-Y38 HydrophobicContact CG1-CE2 3.91Å; V34-Y38 VanDerWaalsContact O-CD2 3.31Å; V34-Y38 WeakPolarHBondContact O-CD2 3.31Å; V34-Y38 PolarHBondContact O-N 2.97Å; V34-L104 HydrophobicContact CG1-CD2 3.76Å
35	R	90.4	Very high	91	Very high	107 Å²	107	83.7 Å²	83.7	40%	0.404	38%	0.379	S	S	.	.	H	α-helix	trans	-59.9	-52	175.4	-178.5	178.2	-59.6	114.1	3	111.6	R31 E32 N33 Y37 Y38 Q39 F101	R31-R35 WeakPolarHBondContact O-CB 3.3Å; R31-R35 PolarHBondContact O-N 3.43Å; E32-R35 WeakPolarHBondContact O-CB 3.36Å; E32-R35 PolarHBondContact O-N 3.34Å; N33-R35 VanDerWaalsContact C-N 3.3Å; N33-R35 PolarHBondContact O-N 3.4Å; R35-Y37 VanDerWaalsContact C-N 3.31Å; R35-Y37 PolarHBondContact O-N 2.89Å; R35-Y38 PolarHBondContact O-N 2.87Å; R35-Q39 WeakPolarHBondContact O-CB 3.48Å; R35-Q39 PolarHBondContact O-N 3.45Å; R35-F101 VanDerWaalsContact CA-CE1 3.49Å; R35-F101 HydrophobicContact CB-CD1 4.08Å; R35-F101 HydrophobicContact CB-CE1 4.14Å; R35-F101 HydrophobicContact CG-CD1 3.57Å; R35-F101 HydrophobicContact CG-CE1 3.82Å; R35-F101 HydrophobicContact CG-CG 4.02Å; R35-F101 HydrophobicContact CG-CZ 4.44Å; R35-F101 WeakPolarHBondContact O-CE1 3.42Å; R35-F101 WeakPolarHBondContact O-CZ 3.23Å
36	M	90.7	Very high	90.6	Very high	92 Å²	92	81.9 Å²	81.9	45%	0.453	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-39.4	-178.5	-68.5	-55.8	-62	0	0	112.2	E32 N33 Q39 Q40	E32-M36 WeakPolarHBondContact O-CG 3.4Å; E32-M36 PolarHBondContact O-N 2.88Å; N33-M36 PolarHBondContact O-N 3.41Å; M36-Q39 PolarHBondContact O-N 3.35Å; M36-Q40 WeakPolarHBondContact O-CG 3.32Å; M36-Q40 PolarHBondContact O-N 3.42Å
37	Y	92.7	Very high	90.2	Very high	123 Å²	123	83.7 Å²	83.7	48%	0.482	38%	0.375	S	S	.	.	H	α-helix	trans	-57.7	-53.9	178	174.6	-98.1	0	0	0	111.9	Y8 N33 V34 R35 Q39 Q40 W41	Y8-Y37 HydrophobicContact CD1-CD1 4.39Å; Y8-Y37 HydrophobicContact CD1-CG 4.2Å; Y8-Y37 AromaticContact CE1-CD1 3.82Å; Y8-Y37 HydrophobicContact CE1-CD1 3.82Å; Y8-Y37 HydrophobicContact CE1-CE1 4.24Å; Y8-Y37 HydrophobicContact CE1-CG 4.09Å; N33-Y37 WeakPolarHBondContact O-CB 3.24Å; N33-Y37 PolarHBondContact O-N 3.22Å; V34-Y37 PolarHBondContact O-N 3.04Å; R35-Y37 VanDerWaalsContact C-N 3.31Å; R35-Y37 PolarHBondContact O-N 2.89Å; Y37-Q39 VanDerWaalsContact C-N 3.27Å; Y37-Q39 PolarHBondContact O-N 2.96Å; Y37-Q40 PolarHBondContact O-N 2.86Å; Y37-W41 WeakPolarHBondContact O-CB 3.44Å; Y37-W41 PolarHBondContact O-N 3.26Å
38	Y	90	Very high	90	Very high	64 Å²	64	87.4 Å²	87.4	25%	0.251	38%	0.384	S	S	.	.	H	α-helix	trans	-70.4	-26.3	-179.9	-73.2	-63.6	0	0	0	112.3	V34 R35 W41 L42 F100	V34-Y38 HydrophobicContact CG1-CD2 4Å; V34-Y38 HydrophobicContact CG1-CE2 3.91Å; V34-Y38 VanDerWaalsContact O-CD2 3.31Å; V34-Y38 WeakPolarHBondContact O-CD2 3.31Å; V34-Y38 PolarHBondContact O-N 2.97Å; R35-Y38 PolarHBondContact O-N 2.87Å; Y38-W41 PolarHBondContact O-N 3.32Å; Y38-L42 WeakPolarHBondContact O-CB 3.38Å; Y38-L42 VanDerWaalsContact O-CG 3.32Å; Y38-L42 WeakPolarHBondContact O-CG 2.98Å; Y38-L42 PolarHBondContact O-N 2.87Å; Y38-F100 HydrophobicContact CD2-CE1 4.5Å
39	Q	86.5	Confident	89.5	Confident	51 Å²	51	81.9 Å²	81.9	24%	0.238	37%	0.369	C	S	.	.	H	α-helix	trans	-69.5	-48.8	178.3	179.6	58.3	54.1	0	0	109.9	R35 M36 Y37 W41 L42 E43 S97 F101	R35-Q39 WeakPolarHBondContact O-CB 3.48Å; R35-Q39 PolarHBondContact O-N 3.45Å; M36-Q39 PolarHBondContact O-N 3.35Å; Y37-Q39 VanDerWaalsContact C-N 3.27Å; Y37-Q39 PolarHBondContact O-N 2.96Å; Q39-W41 VanDerWaalsContact C-N 3.3Å; Q39-W41 PolarHBondContact O-N 3.28Å; Q39-L42 PolarHBondContact O-N 3.02Å; Q39-E43 PolarHBondContact NE2-OE1 3.44Å; Q39-E43 WeakPolarHBondContact O-CG 3.33Å; Q39-E43 PolarHBondContact O-N 2.88Å; Q39-S97 PolarHBondContact OE1-OG 3.16Å; Q39-F101 HydrophobicContact CB-CE2 4.06Å; Q39-F101 HydrophobicContact CB-CZ 4.01Å
40	Q	89.2	Confident	89.2	Confident	118 Å²	118	78.1 Å²	78.1	55%	0.551	36%	0.357	S	S	*	.	H	α-helix	trans	-61	-40.4	173.4	-71.1	175.8	-2.4	0	0	111.7	M36 Y37 L42 E43 E44	M36-Q40 WeakPolarHBondContact O-CG 3.32Å; M36-Q40 PolarHBondContact O-N 3.42Å; Y37-Q40 PolarHBondContact O-N 2.86Å; Q40-L42 PolarHBondContact O-N 3.29Å; Q40-E43 PolarHBondContact O-N 3.42Å; Q40-E44 WeakPolarHBondContact O-CB 3.32Å; Q40-E44 PolarHBondContact O-N 2.9Å
41	W	89	Confident	88.9	Confident	117 Å²	117	80.4 Å²	80.4	44%	0.443	37%	0.37	S	S	.	.	H	α-helix	trans	-61.2	-44	176.3	-179.1	76.4	0	0	0	112	Y37 Y38 Q39 E44 Q45	Y37-W41 WeakPolarHBondContact O-CB 3.44Å; Y37-W41 PolarHBondContact O-N 3.26Å; Y38-W41 PolarHBondContact O-N 3.32Å; Q39-W41 VanDerWaalsContact C-N 3.3Å; Q39-W41 PolarHBondContact O-N 3.28Å; W41-E44 PolarHBondContact O-N 2.86Å; W41-Q45 HydrophobicContact CD2-CG 4.32Å; W41-Q45 HydrophobicContact CH2-CG 4.47Å; W41-Q45 HydrophobicContact CZ2-CG 4.16Å; W41-Q45 WeakPolarHBondContact O-CG 3.03Å; W41-Q45 PolarHBondContact O-N 3.14Å
42	L	86.5	Confident	88.6	Confident	29 Å²	29	77.2 Å²	77.2	15%	0.152	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-40.3	176	-76.2	170.1	0	0	0	112.4	Y38 Q39 Q40 E44 Q45 A46 V93 F101	Y38-L42 WeakPolarHBondContact O-CB 3.38Å; Y38-L42 VanDerWaalsContact O-CG 3.32Å; Y38-L42 WeakPolarHBondContact O-CG 2.98Å; Y38-L42 PolarHBondContact O-N 2.87Å; Q39-L42 PolarHBondContact O-N 3.02Å; Q40-L42 PolarHBondContact O-N 3.29Å; L42-E44 VanDerWaalsContact C-N 3.34Å; L42-Q45 PolarHBondContact O-N 2.84Å; L42-A46 PolarHBondContact O-N 3.24Å; L42-V93 HydrophobicContact CB-CG1 4.45Å; L42-F101 HydrophobicContact CD1-CE2 4.22Å
43	E	87.6	Confident	88.2	Confident	111 Å²	111	75.1 Å²	75.1	52%	0.519	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-42.1	174.5	-74.5	167.7	-161	0	0	111.6	Q39 Q40 Q45 A46 Q47	Q39-E43 PolarHBondContact NE2-OE1 3.44Å; Q39-E43 WeakPolarHBondContact O-CG 3.33Å; Q39-E43 PolarHBondContact O-N 2.88Å; Q40-E43 PolarHBondContact O-N 3.42Å; E43-Q45 PolarHBondContact O-N 3.15Å; E43-A46 PolarHBondContact O-N 3.38Å; E43-Q47 WeakPolarHBondContact O-CB 3.44Å; E43-Q47 PolarHBondContact O-N 2.85Å
44	E	89.1	Confident	87.9	Confident	100 Å²	100	74.8 Å²	74.8	47%	0.467	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-40.8	175.2	-163.4	-163.2	150.6	0	0	111.8	Q40 W41 L42 Q47 K48	Q40-E44 WeakPolarHBondContact O-CB 3.32Å; Q40-E44 PolarHBondContact O-N 2.9Å; W41-E44 PolarHBondContact O-N 2.86Å; L42-E44 VanDerWaalsContact C-N 3.34Å; E44-Q47 PolarHBondContact O-N 3.02Å; E44-K48 WeakPolarHBondContact O-CG 3.3Å; E44-K48 PolarHBondContact O-N 2.94Å; E44-K48 WeakPolarHBondContact OE1-CE 3.32Å; E44-K48 IonicContact OE1-NZ 2.68Å; E44-K48 PolarHBondContact OE1-NZ 3.44Å
45	Q	86.7	Confident	87.5	Confident	69 Å²	69	80.5 Å²	80.5	32%	0.322	39%	0.386	S	S	.	.	H	α-helix	trans	-65	-41.4	174.6	-64.5	-49.9	-52	0	0	112	W41 L42 E43 K48 L49	W41-Q45 HydrophobicContact CD2-CG 4.32Å; W41-Q45 HydrophobicContact CH2-CG 4.47Å; W41-Q45 HydrophobicContact CZ2-CG 4.16Å; W41-Q45 WeakPolarHBondContact O-CG 3.03Å; W41-Q45 PolarHBondContact O-N 3.14Å; L42-Q45 PolarHBondContact O-N 2.84Å; E43-Q45 PolarHBondContact O-N 3.15Å; Q45-K48 PolarHBondContact O-N 3.47Å; Q45-L49 PolarHBondContact O-N 3.21Å
46	A	83.1	Confident	87.2	Confident	26 Å²	26	78 Å²	78	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-61.9	-44.4	175.7	0	0	0	0	0	111	L42 E43 K48 L49 V50	L42-A46 PolarHBondContact O-N 3.24Å; E43-A46 PolarHBondContact O-N 3.38Å; A46-K48 PolarHBondContact O-N 2.99Å; A46-L49 WeakPolarHBondContact O-CB 2.98Å; A46-L49 PolarHBondContact O-N 3.03Å; A46-L49 VanDerWaalsContact O-N 3.15Å; A46-V50 WeakPolarHBondContact O-CG2 3.49Å; A46-V50 PolarHBondContact O-N 3.31Å
47	Q	85.2	Confident	86.7	Confident	100 Å²	100	80.3 Å²	80.3	47%	0.467	40%	0.395	S	S	.	.	H	α-helix	trans	-61.8	-42.1	177.8	-170.3	60.6	47.2	0	0	112	E43 E44 L49 V50 D51	E43-Q47 WeakPolarHBondContact O-CB 3.44Å; E43-Q47 PolarHBondContact O-N 2.85Å; E44-Q47 PolarHBondContact O-N 3.02Å; Q47-L49 VanDerWaalsContact C-N 3.26Å; Q47-L49 PolarHBondContact O-N 3.25Å; Q47-V50 WeakPolarHBondContact O-CB 3.47Å; Q47-V50 PolarHBondContact O-N 3.01Å; Q47-V50 VanDerWaalsContact O-N 3.14Å; Q47-D51 PolarHBondContact NE2-OD1 3.43Å; Q47-D51 WeakPolarHBondContact O-CB 3.47Å; Q47-D51 VanDerWaalsContact O-CG 3.25Å; Q47-D51 PolarHBondContact O-N 3.38Å
48	K	88.4	Confident	86	Confident	102 Å²	102	82.5 Å²	82.5	44%	0.443	40%	0.403	S	S	.	.	H	α-helix	trans	-57.6	-38.5	175.1	-75.3	171	-175.9	163.4	0	112.5	E44 Q45 A46 A52	E44-K48 WeakPolarHBondContact O-CG 3.3Å; E44-K48 PolarHBondContact O-N 2.94Å; E44-K48 WeakPolarHBondContact OE1-CE 3.32Å; E44-K48 IonicContact OE1-NZ 2.68Å; E44-K48 PolarHBondContact OE1-NZ 3.44Å; Q45-K48 PolarHBondContact O-N 3.47Å; A46-K48 PolarHBondContact O-N 2.99Å; K48-A52 VanDerWaalsContact O-CB 3.32Å; K48-A52 WeakPolarHBondContact O-CB 3.47Å; K48-A52 PolarHBondContact O-N 3.49Å
49	L	85	Confident	85.3	Confident	86 Å²	86	85.3 Å²	85.3	45%	0.45	42%	0.418	S	S	.	.	H	α-helix	trans	-70.2	-40.6	176.5	-67.8	172.5	0	0	0	112.2	Q45 A46 Q47 T53	Q45-L49 PolarHBondContact O-N 3.21Å; A46-L49 WeakPolarHBondContact O-CB 2.98Å; A46-L49 PolarHBondContact O-N 3.03Å; A46-L49 VanDerWaalsContact O-N 3.15Å; Q47-L49 VanDerWaalsContact C-N 3.26Å; Q47-L49 PolarHBondContact O-N 3.25Å; L49-T53 WeakPolarHBondContact O-CB 3.36Å; L49-T53 PolarHBondContact O-N 3.4Å; L49-T53 PolarHBondContact O-OG1 3.48Å
50	V	85.6	Confident	84.1	Confident	52 Å²	52	86 Å²	86	32%	0.315	43%	0.428	S	S	.	.	H	α-helix	trans	-60.4	-48.5	173.8	177	0	0	0	0	109.9	A46 Q47 A52 T53 A54 F86	A46-V50 WeakPolarHBondContact O-CG2 3.49Å; A46-V50 PolarHBondContact O-N 3.31Å; Q47-V50 WeakPolarHBondContact O-CB 3.47Å; Q47-V50 PolarHBondContact O-N 3.01Å; Q47-V50 VanDerWaalsContact O-N 3.14Å; V50-A52 PolarHBondContact O-N 3.48Å; V50-T53 PolarHBondContact O-N 3.26Å; V50-A54 WeakPolarHBondContact O-CB 3.38Å; V50-A54 PolarHBondContact O-N 3Å; V50-F86 HydrophobicContact CG2-CE2 3.94Å; V50-F86 HydrophobicContact CG2-CZ 4.11Å
51	D	89	Confident	82.5	Confident	69 Å²	69	86.2 Å²	86.2	37%	0.369	43%	0.434	S	S	.	.	H	α-helix	trans	-65	-40.5	-177.9	-68.7	-17.8	0	0	0	112.2	Q47 T53 R55	Q47-D51 PolarHBondContact NE2-OD1 3.43Å; Q47-D51 WeakPolarHBondContact O-CB 3.47Å; Q47-D51 VanDerWaalsContact O-CG 3.25Å; Q47-D51 PolarHBondContact O-N 3.38Å; D51-T53 VanDerWaalsContact C-N 3.34Å; D51-R55 VanDerWaalsContact O-CB 3.24Å; D51-R55 WeakPolarHBondContact O-CB 3.46Å; D51-R55 PolarHBondContact O-N 3.15Å
52	A	87.3	Confident	80.8	Confident	46 Å²	46	86.7 Å²	86.7	38%	0.38	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-42.9	174.6	0	0	0	0	0	111.5	K48 V50 R55 A56	K48-A52 VanDerWaalsContact O-CB 3.32Å; K48-A52 WeakPolarHBondContact O-CB 3.47Å; K48-A52 PolarHBondContact O-N 3.49Å; V50-A52 PolarHBondContact O-N 3.48Å; A52-R55 PolarHBondContact O-N 2.96Å; A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 2.91Å
53	T	84.5	Confident	79.1	Confident	54 Å²	54	93.3 Å²	93.3	33%	0.331	48%	0.481	S	S	.	.	H	α-helix	trans	-66.6	-48.1	178.1	-56.3	0	0	0	0	110.7	L49 V50 D51 R55 A56 F57	L49-T53 WeakPolarHBondContact O-CB 3.36Å; L49-T53 PolarHBondContact O-N 3.4Å; L49-T53 PolarHBondContact O-OG1 3.48Å; V50-T53 PolarHBondContact O-N 3.26Å; D51-T53 VanDerWaalsContact C-N 3.34Å; T53-R55 VanDerWaalsContact C-N 3.29Å; T53-R55 PolarHBondContact O-N 3.5Å; T53-A56 PolarHBondContact O-N 2.94Å; T53-F57 HydrophobicContact CG2-CD2 3.59Å; T53-F57 HydrophobicContact CG2-CE2 3.39Å; T53-F57 WeakPolarHBondContact O-CD2 3.18Å; T53-F57 PolarHBondContact O-N 3.33Å
54	A	86.1	Confident	77.4	Confident	41 Å²	41	98.5 Å²	98.5	34%	0.339	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-33.3	176.9	0	0	0	0	0	112.7	V50 R58	V50-A54 WeakPolarHBondContact O-CB 3.38Å; V50-A54 PolarHBondContact O-N 3Å; A54-R58 WeakPolarHBondContact O-CB 3.24Å; A54-R58 VanDerWaalsContact O-CG 3.32Å; A54-R58 WeakPolarHBondContact O-CG 3.36Å; A54-R58 PolarHBondContact O-N 2.96Å; A54-R58 PolarHBondContact O-NE 2.68Å
55	R	84.7	Confident	75.3	Confident	134 Å²	134	100.7 Å²	100.7	51%	0.506	51%	0.511	S	S	.	.	H	α-helix	trans	-67.1	-49.6	172.5	-169.9	-177.5	-57.8	126.1	5.8	111.1	D51 A52 T53 F57 R58 E59	D51-R55 VanDerWaalsContact O-CB 3.24Å; D51-R55 WeakPolarHBondContact O-CB 3.46Å; D51-R55 PolarHBondContact O-N 3.15Å; A52-R55 PolarHBondContact O-N 2.96Å; T53-R55 VanDerWaalsContact C-N 3.29Å; T53-R55 PolarHBondContact O-N 3.5Å; R55-F57 VanDerWaalsContact C-N 3.33Å; R55-F57 PolarHBondContact O-N 3.44Å; R55-R58 PolarHBondContact O-N 3.46Å; R55-R58 VanDerWaalsContact O-N 3.16Å; R55-E59 WeakPolarHBondContact CG-OE1 3.46Å; R55-E59 WeakPolarHBondContact O-CG 3.32Å; R55-E59 PolarHBondContact O-N 3.18Å
56	A	83.7	Confident	73.2	Confident	54 Å²	54	102.1 Å²	102.1	45%	0.446	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-40.2	177.3	0	0	0	0	0	112.5	A52 T53 E59 S60	A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 2.91Å; T53-A56 PolarHBondContact O-N 2.94Å; A56-E59 PolarHBondContact O-N 3.48Å; A56-S60 WeakPolarHBondContact O-CB 3.17Å; A56-S60 PolarHBondContact O-N 2.88Å; A56-S60 PolarHBondContact O-OG 3.35Å
57	F	81.2	Confident	71.3	Confident	140 Å²	140	107.8 Å²	107.8	61%	0.614	56%	0.558	S	S	*	*	H	α-helix	trans	-63.7	-44.6	174	-85.1	-69.2	0	0	0	111.9	T53 R55 S60 N61	T53-F57 HydrophobicContact CG2-CD2 3.59Å; T53-F57 HydrophobicContact CG2-CE2 3.39Å; T53-F57 WeakPolarHBondContact O-CD2 3.18Å; T53-F57 PolarHBondContact O-N 3.33Å; R55-F57 VanDerWaalsContact C-N 3.33Å; R55-F57 PolarHBondContact O-N 3.44Å; F57-S60 PolarHBondContact O-N 2.98Å; F57-S60 PolarHBondContact O-OG 2.68Å; F57-N61 VanDerWaalsContact O-CB 3.31Å; F57-N61 WeakPolarHBondContact O-CB 3.49Å; F57-N61 PolarHBondContact O-N 3.22Å
58	R	77.9	Confident	69.2	Low	169 Å²	169	106.6 Å²	106.6	64%	0.638	57%	0.572	S	S	*	*	H	α-helix	trans	-60.2	-48	175.7	-79.1	-176.2	-68.8	-171.3	-0.6	111.3	A54 R55 S60 N61 V62	A54-R58 WeakPolarHBondContact O-CB 3.24Å; A54-R58 VanDerWaalsContact O-CG 3.32Å; A54-R58 WeakPolarHBondContact O-CG 3.36Å; A54-R58 PolarHBondContact O-N 2.96Å; A54-R58 PolarHBondContact O-NE 2.68Å; R55-R58 PolarHBondContact O-N 3.46Å; R55-R58 VanDerWaalsContact O-N 3.16Å; R58-S60 PolarHBondContact O-N 2.9Å; R58-N61 PolarHBondContact O-N 3.36Å; R58-V62 WeakPolarHBondContact O-CG2 3.5Å; R58-V62 PolarHBondContact O-N 3.27Å
59	E	76.1	Confident	67.1	Low	123 Å²	123	110.6 Å²	110.6	58%	0.575	60%	0.595	S	S	*	*	H	α-helix	trans	-59.7	-43.8	177.5	-72.3	169.6	-175.4	0	0	112	R55 A56 N61 V62	R55-E59 WeakPolarHBondContact CG-OE1 3.46Å; R55-E59 WeakPolarHBondContact O-CG 3.32Å; R55-E59 PolarHBondContact O-N 3.18Å; A56-E59 PolarHBondContact O-N 3.48Å; E59-N61 PolarHBondContact O-N 3.38Å; E59-V62 PolarHBondContact O-N 3.48Å
60	S	59.4	Low	65.4	Low	65 Å²	65	114.7 Å²	114.7	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-68.8	-32.1	177.9	73.1	0	0	0	0	113.4	A56 F57 R58 V62 M63 R64	A56-S60 WeakPolarHBondContact O-CB 3.17Å; A56-S60 PolarHBondContact O-N 2.88Å; A56-S60 PolarHBondContact O-OG 3.35Å; F57-S60 PolarHBondContact O-N 2.98Å; F57-S60 PolarHBondContact O-OG 2.68Å; R58-S60 PolarHBondContact O-N 2.9Å; S60-V62 VanDerWaalsContact C-N 3.33Å; S60-M63 PolarHBondContact O-N 2.88Å; S60-R64 PolarHBondContact O-N 3.33Å
61	N	56.5	Low	64.1	Low	124 Å²	124	117.1 Å²	117.1	66%	0.663	63%	0.631	S	S	*	*	H	α-helix	trans	-75	-23.5	179.9	-159.4	15.3	0	0	0	112.2	F57 R58 E59 M63	F57-N61 VanDerWaalsContact O-CB 3.31Å; F57-N61 WeakPolarHBondContact O-CB 3.49Å; F57-N61 PolarHBondContact O-N 3.22Å; R58-N61 PolarHBondContact O-N 3.36Å; E59-N61 PolarHBondContact O-N 3.38Å; N61-M63 VanDerWaalsContact C-N 3.28Å
62	V	52.9	Low	62.2	Low	126 Å²	126	118.6 Å²	118.6	76%	0.764	64%	0.644	S	S	*	*	H	α-helix	trans	-75.5	-18.1	171	-137.7	0	0	0	0	112.4	R58 E59 S60	R58-V62 WeakPolarHBondContact O-CG2 3.5Å; R58-V62 PolarHBondContact O-N 3.27Å; E59-V62 PolarHBondContact O-N 3.48Å; S60-V62 VanDerWaalsContact C-N 3.33Å
63	M	52.2	Low	60.1	Low	168 Å²	168	123 Å²	123	83%	0.828	67%	0.669	S	S	*	*	H	α-helix	trans	-97.4	-12.2	179.3	-150	-177	-164.1	0	0	113.7	S60 N61	S60-M63 PolarHBondContact O-N 2.88Å; N61-M63 VanDerWaalsContact C-N 3.28Å
64	R	51.9	Low	58.7	Low	220 Å²	220	124 Å²	124	83%	0.83	69%	0.69	S	S	*	*	S	Bend	trans	-94.6	15	-177.7	-144.2	-175.9	-161.6	-152.6	3.8	115	S60	S60-R64 PolarHBondContact O-N 3.33Å
65	N	45	Very low	57.1	Low	146 Å²	146	125.7 Å²	125.7	78%	0.781	70%	0.704	S	S	*	*			trans	-112.4	78.9	169.3	-159.2	-13.9	0	0	0	111.4
66	P	42.3	Very low	55.2	Low	99 Å²	99	127.9 Å²	127.9	64%	0.643	72%	0.722	S	S	*	*	S	Bend	trans	-130.8	117.3	134.8	33.1	-19.7	0	0	0	109.1
67	V	42.4	Very low	53.5	Low	146 Å²	146	133.1 Å²	133.1	89%	0.885	74%	0.741	S	S	*	*	S	Bend	trans	31.7	104.7	149.2	-167.9	0	0	0	0	116.8
68	G	41.9	Very low	52	Low	74 Å²	74	133.2 Å²	133.2	76%	0.763	75%	0.747	S	S	*	*			trans	103	64.9	141.3	0	0	0	0	0	120
69	M	44.2	Very low	50.4	Low	186 Å²	186	131.1 Å²	131.1	92%	0.916	76%	0.755	S	S	*	*			trans	-120.2	89.5	161.2	-145.3	79.4	90.6	0	0	111.2
70	M	48.8	Very low	49.1	Very low	173 Å²	173	126.6 Å²	126.6	85%	0.852	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-62.6	128.1	166.6	-170	162.1	77.8	0	0	108.7
71	P	57.7	Low	48.6	Very low	103 Å²	103	127.6 Å²	127.6	67%	0.669	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-71.5	137.7	178	27.9	-31	0	0	0	109.8
72	P	50.1	Low	48.4	Very low	99 Å²	99	126.9 Å²	126.9	64%	0.643	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.5	128.3	173.1	24.2	-30.8	0	0	0	109.4	G74	P72-G74 PolarHBondContact O-N 3.46Å
73	P	43.6	Very low	48.4	Very low	140 Å²	140	124.4 Å²	124.4	91%	0.909	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	105.7	175.9	-9.3	22.5	0	0	0	108.4
74	G	53.8	Low	48.3	Very low	74 Å²	74	121 Å²	121	76%	0.763	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	143.2	-9.2	176.9	0	0	0	0	0	116.5	P72 M76	P72-G74 PolarHBondContact O-N 3.46Å; G74-M76 PolarHBondContact O-N 3.03Å; G74-M76 VanDerWaalsContact O-N 3.13Å
75	A	52	Low	48.5	Very low	77 Å²	77	116.3 Å²	116.3	64%	0.636	72%	0.719	S	S	*	*			trans	-81	94.4	171	0	0	0	0	0	109.6	L77	A75-L77 PolarHBondContact O-N 2.93Å; A75-L77 VanDerWaalsContact O-N 3.09Å
76	M	45	Very low	48.8	Very low	179 Å²	179	114.1 Å²	114.1	88%	0.882	70%	0.703	S	S	*	*			trans	-46.3	116.3	166.4	-68.7	-74.1	-158.6	0	0	109.2	G74 I78	G74-M76 PolarHBondContact O-N 3.03Å; G74-M76 VanDerWaalsContact O-N 3.13Å; M76-I78 PolarHBondContact O-N 3.39Å
77	L	49.1	Very low	49.5	Very low	165 Å²	165	114.8 Å²	114.8	86%	0.864	70%	0.697	S	S	*	*			trans	-57.3	108.7	169.7	-74	158.2	0	0	0	107.7	A75 P79	A75-L77 PolarHBondContact O-N 2.93Å; A75-L77 VanDerWaalsContact O-N 3.09Å; L77-P79 WeakPolarHBondContact O-CD 3.37Å
78	I	49.2	Very low	50.1	Low	141 Å²	141	113.9 Å²	113.9	72%	0.723	69%	0.687	S	S	*	*			trans	-77.4	107.2	154.3	-62.8	-169.2	0	0	0	105.4	M76 G80	M76-I78 PolarHBondContact O-N 3.39Å; I78-G80 PolarHBondContact O-N 2.71Å
79	P	45.1	Very low	51.2	Low	125 Å²	125	116.5 Å²	116.5	81%	0.812	67%	0.674	S	S	*	*	S	Bend	trans	-82.4	98	171.6	20.9	-3.1	0	0	0	106.3	L77	L77-P79 WeakPolarHBondContact O-CD 3.37Å
80	G	47.7	Very low	52.1	Low	29 Å²	29	111.6 Å²	111.6	30%	0.299	65%	0.651	S	S	.	*			trans	166	-26.3	172.2	0	0	0	0	0	117.5	I78 S82 S83	I78-G80 PolarHBondContact O-N 2.71Å; G80-S82 PolarHBondContact O-N 3.01Å; G80-S83 PolarHBondContact O-N 3.38Å
81	A	49.2	Very low	53	Low	86 Å²	86	107.4 Å²	107.4	71%	0.711	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	0.2	-163.9	0	0	0	0	0	117
82	S	52.6	Low	53.4	Low	108 Å²	108	103.8 Å²	103.8	76%	0.755	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-13.2	176.1	56.8	0	0	0	0	114.5	G80	G80-S82 PolarHBondContact O-N 3.01Å
83	S	53	Low	54.3	Low	74 Å²	74	101.1 Å²	101.1	52%	0.517	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	-29.8	-179.5	-52.5	0	0	0	0	112.3	G80 H85 F86 E87	G80-S83 PolarHBondContact O-N 3.38Å; S83-H85 VanDerWaalsContact C-N 3.31Å; S83-H85 PolarHBondContact O-N 2.84Å; S83-F86 PolarHBondContact O-N 2.96Å; S83-E87 PolarHBondContact O-N 2.93Å
84	D	49	Very low	55.4	Low	97 Å²	97	96.6 Å²	96.6	52%	0.519	57%	0.572	S	S	.	*	H	α-helix	trans	-63.5	-36.3	-173.8	-61.9	-38.7	0	0	0	112.5	F86 E87 L88	D84-F86 VanDerWaalsContact C-N 3.29Å; D84-F86 PolarHBondContact O-N 3.12Å; D84-E87 PolarHBondContact O-N 3.26Å; D84-L88 HydrophobicContact CB-CD1 4.4Å; D84-L88 VanDerWaalsContact O-CB 3.26Å; D84-L88 WeakPolarHBondContact O-CB 3.21Å; D84-L88 WeakPolarHBondContact O-CD1 3.41Å; D84-L88 PolarHBondContact O-N 3.3Å
85	H	56	Low	56.1	Low	121 Å²	121	98.6 Å²	98.6	56%	0.56	56%	0.56	S	S	*	*	H	α-helix	trans	-73.2	-22.5	-176.8	-150.4	-56.4	0	0	0	113.2	S83 R89	S83-H85 VanDerWaalsContact C-N 3.31Å; S83-H85 PolarHBondContact O-N 2.84Å; H85-R89 PolarHBondContact CE1-NE 2.98Å; H85-R89 PolarHBondContact ND1-NE 3.26Å; H85-R89 VanDerWaalsContact O-CG 3.31Å; H85-R89 WeakPolarHBondContact O-CG 3.43Å; H85-R89 PolarHBondContact O-N 3.41Å
86	F	53.3	Low	56.8	Low	100 Å²	100	100.2 Å²	100.2	44%	0.439	56%	0.558	S	S	.	*	H	α-helix	trans	-79.6	-48.2	174.8	-170.7	-105	0	0	0	110.5	V50 S83 D84 R89 L90	V50-F86 HydrophobicContact CG2-CE2 3.94Å; V50-F86 HydrophobicContact CG2-CZ 4.11Å; S83-F86 PolarHBondContact O-N 2.96Å; D84-F86 VanDerWaalsContact C-N 3.29Å; D84-F86 PolarHBondContact O-N 3.12Å; F86-R89 PolarHBondContact O-N 3.34Å; F86-L90 HydrophobicContact CD1-CD1 3.5Å; F86-L90 VanDerWaalsContact CD1-CD1 3.5Å; F86-L90 HydrophobicContact CD2-CD1 4.41Å; F86-L90 HydrophobicContact CE1-CD1 3.08Å; F86-L90 HydrophobicContact CE2-CD1 4.07Å; F86-L90 HydrophobicContact CG-CD1 4.16Å; F86-L90 HydrophobicContact CZ-CD1 3.4Å; F86-L90 VanDerWaalsContact CZ-CD1 3.4Å; F86-L90 PolarHBondContact O-N 3.48Å
87	E	55.5	Low	57.7	Low	113 Å²	113	92.3 Å²	92.3	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-46.2	176	-78.2	-64.4	130	0	0	111.7	S83 D84 R89 L90 V91	S83-E87 PolarHBondContact O-N 2.93Å; D84-E87 PolarHBondContact O-N 3.26Å; E87-R89 VanDerWaalsContact C-N 3.25Å; E87-R89 PolarHBondContact O-N 3.18Å; E87-L90 PolarHBondContact O-N 3.02Å; E87-V91 VanDerWaalsContact O-CB 3.27Å; E87-V91 WeakPolarHBondContact O-CB 3.34Å; E87-V91 WeakPolarHBondContact O-CG2 3.38Å; E87-V91 PolarHBondContact O-N 3.27Å
88	L	56.5	Low	58.5	Low	127 Å²	127	91.9 Å²	91.9	67%	0.665	51%	0.512	S	S	*	.	H	α-helix	trans	-60.2	-33.6	176	-89.6	145.3	0	0	0	112.9	D84 G92	D84-L88 HydrophobicContact CB-CD1 4.4Å; D84-L88 VanDerWaalsContact O-CB 3.26Å; D84-L88 WeakPolarHBondContact O-CB 3.21Å; D84-L88 WeakPolarHBondContact O-CD1 3.41Å; D84-L88 PolarHBondContact O-N 3.3Å; L88-G92 WeakPolarHBondContact O-CA 3.31Å; L88-G92 PolarHBondContact O-N 3.28Å
89	R	63.2	Low	59.4	Low	130 Å²	130	91 Å²	91	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-73.7	-43	175.6	-79.7	-177.5	175.2	-175.5	3.1	111.8	H85 F86 E87 G92 V93	H85-R89 PolarHBondContact CE1-NE 2.98Å; H85-R89 PolarHBondContact ND1-NE 3.26Å; H85-R89 VanDerWaalsContact O-CG 3.31Å; H85-R89 WeakPolarHBondContact O-CG 3.43Å; H85-R89 PolarHBondContact O-N 3.41Å; F86-R89 PolarHBondContact O-N 3.34Å; E87-R89 VanDerWaalsContact C-N 3.25Å; E87-R89 PolarHBondContact O-N 3.18Å; R89-G92 PolarHBondContact O-N 3.29Å; R89-V93 VanDerWaalsContact O-CG2 3.3Å; R89-V93 WeakPolarHBondContact O-CG2 3.5Å; R89-V93 PolarHBondContact O-N 3.2Å
90	L	64.1	Low	60.3	Low	82 Å²	82	90.3 Å²	90.3	43%	0.429	49%	0.487	S	S	.	.	H	α-helix	trans	-66.2	-44.4	175.6	-100.3	133.6	0	0	0	112.3	F86 E87 G92 V93 A94	F86-L90 HydrophobicContact CD1-CD1 3.5Å; F86-L90 VanDerWaalsContact CD1-CD1 3.5Å; F86-L90 HydrophobicContact CD2-CD1 4.41Å; F86-L90 HydrophobicContact CE1-CD1 3.08Å; F86-L90 HydrophobicContact CE2-CD1 4.07Å; F86-L90 HydrophobicContact CG-CD1 4.16Å; F86-L90 HydrophobicContact CZ-CD1 3.4Å; F86-L90 VanDerWaalsContact CZ-CD1 3.4Å; F86-L90 PolarHBondContact O-N 3.48Å; E87-L90 PolarHBondContact O-N 3.02Å; L90-G92 VanDerWaalsContact C-N 3.29Å; L90-G92 PolarHBondContact O-N 3.32Å; L90-V93 PolarHBondContact O-N 3.43Å; L90-A94 VanDerWaalsContact O-CB 3.24Å; L90-A94 WeakPolarHBondContact O-CB 3.38Å; L90-A94 PolarHBondContact O-N 3.11Å
91	V	67	Low	61	Low	85 Å²	85	89.9 Å²	89.9	52%	0.515	48%	0.477	S	S	.	.	H	α-helix	trans	-61.5	-40.6	172.6	174.8	0	0	0	0	109.8	E87 A94 F95	E87-V91 VanDerWaalsContact O-CB 3.27Å; E87-V91 WeakPolarHBondContact O-CB 3.34Å; E87-V91 WeakPolarHBondContact O-CG2 3.38Å; E87-V91 PolarHBondContact O-N 3.27Å; V91-A94 PolarHBondContact O-N 3.23Å; V91-F95 WeakPolarHBondContact O-CB 3.36Å; V91-F95 PolarHBondContact O-N 3.38Å
92	G	66.2	Low	61.6	Low	28 Å²	28	93.5 Å²	93.5	29%	0.289	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-46.8	173.8	0	0	0	0	0	113	L88 R89 L90 F95 L96	L88-G92 WeakPolarHBondContact O-CA 3.31Å; L88-G92 PolarHBondContact O-N 3.28Å; R89-G92 PolarHBondContact O-N 3.29Å; L90-G92 VanDerWaalsContact C-N 3.29Å; L90-G92 PolarHBondContact O-N 3.32Å; G92-F95 PolarHBondContact O-N 2.85Å; G92-L96 VanDerWaalsContact O-CB 3.31Å; G92-L96 WeakPolarHBondContact O-CB 3.46Å; G92-L96 WeakPolarHBondContact O-CG 3.18Å; G92-L96 PolarHBondContact O-N 3.02Å
93	V	69.4	Low	61.8	Low	43 Å²	43	93.7 Å²	93.7	26%	0.261	48%	0.479	S	S	.	.	H	α-helix	trans	-66.4	-41.7	176.4	172.9	0	0	0	0	111.2	L42 R89 L90 L96 S97	L42-V93 HydrophobicContact CB-CG1 4.45Å; R89-V93 VanDerWaalsContact O-CG2 3.3Å; R89-V93 WeakPolarHBondContact O-CG2 3.5Å; R89-V93 PolarHBondContact O-N 3.2Å; L90-V93 PolarHBondContact O-N 3.43Å; V93-L96 PolarHBondContact O-N 3.12Å; V93-S97 VanDerWaalsContact O-CB 3.3Å; V93-S97 WeakPolarHBondContact O-CB 3.44Å; V93-S97 PolarHBondContact O-N 3.17Å
94	A	66.9	Low	62	Low	44 Å²	44	95.3 Å²	95.3	36%	0.364	48%	0.482	S	S	.	.	H	α-helix	trans	-67.5	-35.8	177.1	0	0	0	0	0	112.1	L90 V91 K98	L90-A94 VanDerWaalsContact O-CB 3.24Å; L90-A94 WeakPolarHBondContact O-CB 3.38Å; L90-A94 PolarHBondContact O-N 3.11Å; V91-A94 PolarHBondContact O-N 3.23Å; A94-K98 WeakPolarHBondContact O-CB 3.39Å; A94-K98 WeakPolarHBondContact O-CG 3.33Å; A94-K98 PolarHBondContact O-N 3.13Å
95	F	68	Low	62.6	Low	116 Å²	116	95.3 Å²	95.3	51%	0.509	48%	0.48	S	S	.	.	H	α-helix	trans	-71	-44.4	175.6	-170.4	-92.8	0	0	0	111	V91 G92 S97 K98 F99	V91-F95 WeakPolarHBondContact O-CB 3.36Å; V91-F95 PolarHBondContact O-N 3.38Å; G92-F95 PolarHBondContact O-N 2.85Å; F95-S97 VanDerWaalsContact C-N 3.35Å; F95-K98 PolarHBondContact O-N 3Å; F95-F99 AromaticContact CD1-CD2 3.72Å; F95-F99 HydrophobicContact CD1-CD2 3.72Å; F95-F99 HydrophobicContact CD1-CE2 4.16Å; F95-F99 HydrophobicContact CD1-CG 4.39Å; F95-F99 HydrophobicContact CD2-CD2 4.02Å; F95-F99 AromaticContact CD2-CE2 3.92Å; F95-F99 HydrophobicContact CD2-CE2 3.92Å; F95-F99 AromaticContact CE1-CD2 3.4Å; F95-F99 HydrophobicContact CE1-CD2 3.4Å; F95-F99 AromaticContact CE1-CE2 3.49Å; F95-F99 HydrophobicContact CE1-CE2 3.49Å; F95-F99 VanDerWaalsContact CE1-CE2 3.49Å; F95-F99 AromaticContact CE1-CG 4Å; F95-F99 HydrophobicContact CE1-CG 4Å; F95-F99 HydrophobicContact CE1-CZ 4.11Å; F95-F99 AromaticContact CE2-CD2 3.75Å; F95-F99 HydrophobicContact CE2-CD2 3.75Å; F95-F99 AromaticContact CE2-CE2 3.22Å; F95-F99 HydrophobicContact CE2-CE2 3.22Å; F95-F99 HydrophobicContact CE2-CZ 4.09Å; F95-F99 HydrophobicContact CG-CD2 4.03Å; F95-F99 HydrophobicContact CG-CE2 4.36Å; F95-F99 AromaticContact CZ-CD2 3.44Å; F95-F99 HydrophobicContact CZ-CD2 3.44Å; F95-F99 VanDerWaalsContact CZ-CD2 3.44Å; F95-F99 HydrophobicContact CZ-CE1 4.4Å; F95-F99 AromaticContact CZ-CE2 2.98Å; F95-F99 HydrophobicContact CZ-CE2 2.98Å; F95-F99 HydrophobicContact CZ-CG 4.33Å; F95-F99 AromaticContact CZ-CZ 3.53Å; F95-F99 HydrophobicContact CZ-CZ 3.53Å; F95-F99 WeakPolarHBondContact O-CB 3.41Å; F95-F99 PolarHBondContact O-N 3.48Å
96	L	66.7	Low	63	Low	111 Å²	111	93.9 Å²	93.9	58%	0.581	48%	0.476	S	S	*	.	H	α-helix	trans	-62.8	-41	174.2	-73.4	171.9	0	0	0	111.4	G92 V93 F100	G92-L96 VanDerWaalsContact O-CB 3.31Å; G92-L96 WeakPolarHBondContact O-CB 3.46Å; G92-L96 WeakPolarHBondContact O-CG 3.18Å; G92-L96 PolarHBondContact O-N 3.02Å; V93-L96 PolarHBondContact O-N 3.12Å; L96-F100 WeakPolarHBondContact O-CB 3.48Å; L96-F100 PolarHBondContact O-N 3.3Å
97	S	65	Low	63.5	Low	14 Å²	14	93.6 Å²	93.6	10%	0.098	48%	0.478	C	S	.	.	H	α-helix	trans	-56	-56.7	170.7	158.4	0	0	0	0	110.2	Q39 V93 F95 F99 F100 F101	Q39-S97 PolarHBondContact OE1-OG 3.16Å; V93-S97 VanDerWaalsContact O-CB 3.3Å; V93-S97 WeakPolarHBondContact O-CB 3.44Å; V93-S97 PolarHBondContact O-N 3.17Å; F95-S97 VanDerWaalsContact C-N 3.35Å; S97-F99 PolarHBondContact O-N 2.67Å; S97-F100 PolarHBondContact O-N 2.89Å; S97-F101 WeakPolarHBondContact O-CB 3.47Å; S97-F101 WeakPolarHBondContact O-CD2 3.26Å; S97-F101 WeakPolarHBondContact O-CG 3.21Å; S97-F101 PolarHBondContact O-N 2.8Å
98	K	66	Low	64	Low	156 Å²	156	92.4 Å²	92.4	68%	0.678	48%	0.475	S	S	*	.	H	α-helix	trans	-61.4	-41.3	-177.5	-73.8	174.9	-178.4	178.8	0	113.5	A94 F95 Q102	A94-K98 WeakPolarHBondContact O-CB 3.39Å; A94-K98 WeakPolarHBondContact O-CG 3.33Å; A94-K98 PolarHBondContact O-N 3.13Å; F95-K98 PolarHBondContact O-N 3Å; K98-Q102 WeakPolarHBondContact O-CB 3.1Å; K98-Q102 PolarHBondContact O-N 3.03Å
99	F	67.3	Low	64.5	Low	123 Å²	123	90.3 Å²	90.3	54%	0.539	46%	0.463	S	S	.	.	H	α-helix	trans	-73.8	-41.8	179.7	-93.6	-97.8	0	0	0	112.7	F95 S97 C103	F95-F99 AromaticContact CD1-CD2 3.72Å; F95-F99 HydrophobicContact CD1-CD2 3.72Å; F95-F99 HydrophobicContact CD1-CE2 4.16Å; F95-F99 HydrophobicContact CD1-CG 4.39Å; F95-F99 HydrophobicContact CD2-CD2 4.02Å; F95-F99 AromaticContact CD2-CE2 3.92Å; F95-F99 HydrophobicContact CD2-CE2 3.92Å; F95-F99 AromaticContact CE1-CD2 3.4Å; F95-F99 HydrophobicContact CE1-CD2 3.4Å; F95-F99 AromaticContact CE1-CE2 3.49Å; F95-F99 HydrophobicContact CE1-CE2 3.49Å; F95-F99 VanDerWaalsContact CE1-CE2 3.49Å; F95-F99 AromaticContact CE1-CG 4Å; F95-F99 HydrophobicContact CE1-CG 4Å; F95-F99 HydrophobicContact CE1-CZ 4.11Å; F95-F99 AromaticContact CE2-CD2 3.75Å; F95-F99 HydrophobicContact CE2-CD2 3.75Å; F95-F99 AromaticContact CE2-CE2 3.22Å; F95-F99 HydrophobicContact CE2-CE2 3.22Å; F95-F99 HydrophobicContact CE2-CZ 4.09Å; F95-F99 HydrophobicContact CG-CD2 4.03Å; F95-F99 HydrophobicContact CG-CE2 4.36Å; F95-F99 AromaticContact CZ-CD2 3.44Å; F95-F99 HydrophobicContact CZ-CD2 3.44Å; F95-F99 VanDerWaalsContact CZ-CD2 3.44Å; F95-F99 HydrophobicContact CZ-CE1 4.4Å; F95-F99 AromaticContact CZ-CE2 2.98Å; F95-F99 HydrophobicContact CZ-CE2 2.98Å; F95-F99 HydrophobicContact CZ-CG 4.33Å; F95-F99 AromaticContact CZ-CZ 3.53Å; F95-F99 HydrophobicContact CZ-CZ 3.53Å; F95-F99 WeakPolarHBondContact O-CB 3.41Å; F95-F99 PolarHBondContact O-N 3.48Å; S97-F99 PolarHBondContact O-N 2.67Å; F99-C103 PolarHBondContact O-SG 3.44Å
100	F	64.8	Low	64.5	Low	109 Å²	109	87.6 Å²	87.6	48%	0.478	46%	0.461	S	S	.	.	H	α-helix	trans	-68.3	-38.8	179.9	-165.9	-103	0	0	0	111.1	Y38 L96 S97 C103 L104	Y38-F100 HydrophobicContact CD2-CE1 4.5Å; L96-F100 WeakPolarHBondContact O-CB 3.48Å; L96-F100 PolarHBondContact O-N 3.3Å; S97-F100 PolarHBondContact O-N 2.89Å; F100-C103 PolarHBondContact O-N 2.97Å; F100-L104 HydrophobicContact CD1-CD1 3.71Å; F100-L104 HydrophobicContact CE1-CD1 3.38Å; F100-L104 HydrophobicContact CE2-CD1 4.29Å; F100-L104 HydrophobicContact CG-CD1 4.3Å; F100-L104 HydrophobicContact CZ-CD1 3.7Å; F100-L104 PolarHBondContact O-N 3.26Å
101	F	61.4	Low	64.6	Low	20 Å²	20	88 Å²	88	9%	0.088	46%	0.463	C	S	.	.	H	α-helix	trans	-77.2	-17.6	-179.9	-74.7	-55.7	0	0	0	115.9	R35 Q39 L42 S97 C103	R35-F101 VanDerWaalsContact CA-CE1 3.49Å; R35-F101 HydrophobicContact CB-CD1 4.08Å; R35-F101 HydrophobicContact CB-CE1 4.14Å; R35-F101 HydrophobicContact CG-CD1 3.57Å; R35-F101 HydrophobicContact CG-CE1 3.82Å; R35-F101 HydrophobicContact CG-CG 4.02Å; R35-F101 HydrophobicContact CG-CZ 4.44Å; R35-F101 WeakPolarHBondContact O-CE1 3.42Å; R35-F101 WeakPolarHBondContact O-CZ 3.23Å; Q39-F101 HydrophobicContact CB-CE2 4.06Å; Q39-F101 HydrophobicContact CB-CZ 4.01Å; L42-F101 HydrophobicContact CD1-CE2 4.22Å; S97-F101 WeakPolarHBondContact O-CB 3.47Å; S97-F101 WeakPolarHBondContact O-CD2 3.26Å; S97-F101 WeakPolarHBondContact O-CG 3.21Å; S97-F101 PolarHBondContact O-N 2.8Å; F101-C103 VanDerWaalsContact C-N 3.32Å
102	Q	61.9	Low	64.4	Low	162 Å²	162	88.2 Å²	88.2	76%	0.757	46%	0.459	S	S	*	.	H	α-helix	trans	-80.2	-19.9	173.4	-170.2	56	68	0	0	112	K98	K98-Q102 WeakPolarHBondContact O-CB 3.1Å; K98-Q102 PolarHBondContact O-N 3.03Å
103	C	57.5	Low	64.2	Low	113 Å²	113	93.3 Å²	93.3	76%	0.764	47%	0.473	S	S	*	.	H	α-helix	trans	-97.5	-10.2	-178.1	-68.1	0	0	0	0	114.4	F99 F100 F101	F99-C103 PolarHBondContact O-SG 3.44Å; F100-C103 PolarHBondContact O-N 2.97Å; F101-C103 VanDerWaalsContact C-N 3.32Å
104	L	56.2	Low	63.8	Low	108 Å²	108	97.8 Å²	97.8	57%	0.565	49%	0.493	S	S	*	.			trans	-98.5	0	172.5	-97.2	110.8	0	0	0	112	V34 F100	V34-L104 HydrophobicContact CG1-CD2 3.76Å; F100-L104 HydrophobicContact CD1-CD1 3.71Å; F100-L104 HydrophobicContact CE1-CD1 3.38Å; F100-L104 HydrophobicContact CE2-CD1 4.29Å; F100-L104 HydrophobicContact CG-CD1 4.3Å; F100-L104 HydrophobicContact CZ-CD1 3.7Å; F100-L104 PolarHBondContact O-N 3.26Å

Retrieved 104 of 104 residues in 51.6 ms (Link to these results)

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