A0A077ZAH8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZAH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 aa.

						>A0A077ZAH8_TRITR|A0A077ZAH8
MMISFFSTHFFQTGLLLTLTKKFQITIWTWLVYLTISVIYHVFSLVCSLKQFLLADCIYYQYRKANAFGVPLSASLVAAYTIQRLCKCRHILSSLQKNCFANNGPQISELLLLERDCAKNMS
					

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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	61.2	Low	68.4	Low	214 Å²	214	127.5 Å²	127.5	100%	1.054	64%	0.64	S	S	*	*				0	-49.3	0	-146.3	176.8	-179.9	0	0	112.4	I3 S4 F5	M1-I3 PolarHBondContact O-N 3.27Å; M1-S4 PolarHBondContact O-N 2.91Å; M1-F5 PolarHBondContact O-N 2.84Å
2	M	63.4	Low	69.1	Low	173 Å²	173	126.9 Å²	126.9	85%	0.852	63%	0.633	S	S	*	*	H	α-helix	trans	-60.7	-41.7	179.3	-79.7	-159	160.5	0	0	114.9	S4 F5 F6	M2-S4 VanDerWaalsContact C-N 3.33Å; M2-S4 PolarHBondContact O-N 3.45Å; M2-F5 PolarHBondContact O-N 3.34Å; M2-F6 WeakPolarHBondContact O-CB 3.5Å; M2-F6 PolarHBondContact O-N 3.4Å
3	I	68.9	Low	69.6	Low	149 Å²	149	123 Å²	123	76%	0.764	62%	0.62	S	S	*	*	H	α-helix	trans	-61.9	-42.2	-179.9	-62.9	168.7	0	0	0	111.3	M1 F6 S7	M1-I3 PolarHBondContact O-N 3.27Å; I3-F6 PolarHBondContact O-N 3.39Å; I3-S7 WeakPolarHBondContact O-CB 3.46Å; I3-S7 PolarHBondContact O-N 3.14Å
4	S	64.5	Low	70.2	Confident	80 Å²	80	116.7 Å²	116.7	56%	0.559	60%	0.602	S	S	*	*	H	α-helix	trans	-64.6	-40.8	177.2	-46.5	0	0	0	0	111.7	M1 M2 S7 T8	M1-S4 PolarHBondContact O-N 2.91Å; M2-S4 VanDerWaalsContact C-N 3.33Å; M2-S4 PolarHBondContact O-N 3.45Å; S4-S7 PolarHBondContact O-N 3.44Å; S4-T8 WeakPolarHBondContact O-CG2 3.36Å; S4-T8 PolarHBondContact O-N 3.2Å; S4-T8 PolarHBondContact O-OG1 2.89Å
5	F	66.5	Low	70.8	Confident	134 Å²	134	115 Å²	115	59%	0.588	59%	0.593	S	S	*	*	H	α-helix	trans	-67.1	-38.6	176.7	-165.3	-92.1	0	0	0	112.4	M1 M2 T8 H9	M1-F5 PolarHBondContact O-N 2.84Å; M2-F5 PolarHBondContact O-N 3.34Å; F5-T8 PolarHBondContact O-OG1 3.22Å; F5-H9 AromaticContact CD1-CD2 3.79Å; F5-H9 AromaticContact CE1-CD2 3.27Å; F5-H9 WeakPolarHBondContact CE1-CD2 3.04Å; F5-H9 AromaticContact CE1-NE2 3.5Å; F5-H9 WeakPolarHBondContact CE1-NE2 3.48Å; F5-H9 AromaticContact CZ-CD2 3.65Å; F5-H9 AromaticContact CZ-NE2 3.56Å; F5-H9 WeakPolarHBondContact O-CB 3.43Å; F5-H9 PolarHBondContact O-N 3.21Å; F5-H9 VanDerWaalsContact O-N 3.11Å
6	F	65.5	Low	71.4	Confident	137 Å²	137	115 Å²	115	60%	0.601	59%	0.594	S	S	*	*	H	α-helix	trans	-66.6	-44.4	176	-148.1	-103.2	0	0	0	110.7	M2 I3 T8 H9 F10	M2-F6 WeakPolarHBondContact O-CB 3.5Å; M2-F6 PolarHBondContact O-N 3.4Å; I3-F6 PolarHBondContact O-N 3.39Å; F6-T8 PolarHBondContact O-N 3.39Å; F6-H9 PolarHBondContact O-N 3.34Å; F6-F10 AromaticContact CD1-CD2 3.62Å; F6-F10 HydrophobicContact CD1-CD2 3.62Å; F6-F10 AromaticContact CD1-CE2 3.5Å; F6-F10 HydrophobicContact CD1-CE2 3.5Å; F6-F10 VanDerWaalsContact CD1-CE2 3.5Å; F6-F10 AromaticContact CE1-CD2 3.69Å; F6-F10 HydrophobicContact CE1-CD2 3.69Å; F6-F10 AromaticContact CE1-CE2 3.03Å; F6-F10 HydrophobicContact CE1-CE2 3.03Å; F6-F10 AromaticContact CE1-CZ 3.77Å; F6-F10 HydrophobicContact CE1-CZ 3.77Å; F6-F10 HydrophobicContact CE2-CE2 4.26Å; F6-F10 HydrophobicContact CG-CD2 4.3Å; F6-F10 HydrophobicContact CG-CE2 4.3Å; F6-F10 HydrophobicContact CZ-CD2 4.37Å; F6-F10 AromaticContact CZ-CE2 3.48Å; F6-F10 HydrophobicContact CZ-CE2 3.48Å; F6-F10 VanDerWaalsContact CZ-CE2 3.48Å; F6-F10 HydrophobicContact CZ-CZ 4.19Å; F6-F10 WeakPolarHBondContact O-CD2 3.27Å; F6-F10 PolarHBondContact O-N 3.13Å
7	S	70.2	Confident	71.9	Confident	79 Å²	79	114.1 Å²	114.1	55%	0.552	59%	0.589	S	S	*	*	H	α-helix	trans	-62.3	-41.1	177.9	-171.8	0	0	0	0	112.8	I3 S4 F11	I3-S7 WeakPolarHBondContact O-CB 3.46Å; I3-S7 PolarHBondContact O-N 3.14Å; S4-S7 PolarHBondContact O-N 3.44Å; S7-F11 WeakPolarHBondContact O-CB 3.48Å; S7-F11 PolarHBondContact O-N 3.09Å
8	T	72.7	Confident	72.2	Confident	72 Å²	72	111.7 Å²	111.7	44%	0.442	58%	0.581	S	S	.	*	H	α-helix	trans	-69.2	-39.4	177.8	50.9	0	0	0	0	111.8	S4 F5 F6 F11 Q12	S4-T8 WeakPolarHBondContact O-CG2 3.36Å; S4-T8 PolarHBondContact O-N 3.2Å; S4-T8 PolarHBondContact O-OG1 2.89Å; F5-T8 PolarHBondContact O-OG1 3.22Å; F6-T8 PolarHBondContact O-N 3.39Å; T8-F11 PolarHBondContact O-N 3.47Å; T8-Q12 WeakPolarHBondContact O-CB 3.41Å; T8-Q12 WeakPolarHBondContact O-CG 3.43Å; T8-Q12 PolarHBondContact O-N 3.09Å
9	H	71.3	Confident	72.5	Confident	87 Å²	87	111.1 Å²	111.1	40%	0.403	58%	0.578	S	S	.	*	H	α-helix	trans	-63.6	-42.5	174.6	-104.8	-81.1	0	0	0	112.7	F5 F6 Q12 T13	F5-H9 AromaticContact CD1-CD2 3.79Å; F5-H9 AromaticContact CE1-CD2 3.27Å; F5-H9 WeakPolarHBondContact CE1-CD2 3.04Å; F5-H9 AromaticContact CE1-NE2 3.5Å; F5-H9 WeakPolarHBondContact CE1-NE2 3.48Å; F5-H9 AromaticContact CZ-CD2 3.65Å; F5-H9 AromaticContact CZ-NE2 3.56Å; F5-H9 WeakPolarHBondContact O-CB 3.43Å; F5-H9 PolarHBondContact O-N 3.21Å; F5-H9 VanDerWaalsContact O-N 3.11Å; F6-H9 PolarHBondContact O-N 3.34Å; H9-Q12 PolarHBondContact O-N 3.46Å; H9-T13 WeakPolarHBondContact O-CB 3.28Å; H9-T13 WeakPolarHBondContact O-CG2 3.37Å; H9-T13 PolarHBondContact O-N 3.45Å; H9-T13 PolarHBondContact O-OG1 3.32Å
10	F	73	Confident	72.7	Confident	133 Å²	133	108.8 Å²	108.8	58%	0.583	57%	0.569	S	S	*	*	H	α-helix	trans	-64.3	-39.8	175.3	-93.3	-96.3	0	0	0	112	F6 T13 G14	F6-F10 AromaticContact CD1-CD2 3.62Å; F6-F10 HydrophobicContact CD1-CD2 3.62Å; F6-F10 AromaticContact CD1-CE2 3.5Å; F6-F10 HydrophobicContact CD1-CE2 3.5Å; F6-F10 VanDerWaalsContact CD1-CE2 3.5Å; F6-F10 AromaticContact CE1-CD2 3.69Å; F6-F10 HydrophobicContact CE1-CD2 3.69Å; F6-F10 AromaticContact CE1-CE2 3.03Å; F6-F10 HydrophobicContact CE1-CE2 3.03Å; F6-F10 AromaticContact CE1-CZ 3.77Å; F6-F10 HydrophobicContact CE1-CZ 3.77Å; F6-F10 HydrophobicContact CE2-CE2 4.26Å; F6-F10 HydrophobicContact CG-CD2 4.3Å; F6-F10 HydrophobicContact CG-CE2 4.3Å; F6-F10 HydrophobicContact CZ-CD2 4.37Å; F6-F10 AromaticContact CZ-CE2 3.48Å; F6-F10 HydrophobicContact CZ-CE2 3.48Å; F6-F10 VanDerWaalsContact CZ-CE2 3.48Å; F6-F10 HydrophobicContact CZ-CZ 4.19Å; F6-F10 WeakPolarHBondContact O-CD2 3.27Å; F6-F10 PolarHBondContact O-N 3.13Å; F10-T13 WeakPolarHBondContact CA-OG1 3.42Å; F10-T13 PolarHBondContact O-OG1 3.44Å; F10-T13 VanDerWaalsContact O-OG1 3.06Å; F10-G14 PolarHBondContact O-N 2.94Å
11	F	75.7	Confident	73.1	Confident	145 Å²	145	109.4 Å²	109.4	64%	0.636	57%	0.567	S	S	*	*	H	α-helix	trans	-66.4	-45.1	176.4	-173.1	-98.9	0	0	0	112.1	S7 T8 G14 L15	S7-F11 WeakPolarHBondContact O-CB 3.48Å; S7-F11 PolarHBondContact O-N 3.09Å; T8-F11 PolarHBondContact O-N 3.47Å; F11-G14 PolarHBondContact O-N 2.82Å; F11-L15 WeakPolarHBondContact O-CB 3.17Å; F11-L15 PolarHBondContact O-N 3.28Å
12	Q	76.3	Confident	74	Confident	120 Å²	120	105.8 Å²	105.8	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-62.9	-44.2	177.6	-76.7	179.4	-15.3	0	0	112.2	T8 H9 L15 L16	T8-Q12 WeakPolarHBondContact O-CB 3.41Å; T8-Q12 WeakPolarHBondContact O-CG 3.43Å; T8-Q12 PolarHBondContact O-N 3.09Å; H9-Q12 PolarHBondContact O-N 3.46Å; Q12-L15 PolarHBondContact O-N 2.94Å; Q12-L16 WeakPolarHBondContact O-CB 3.5Å; Q12-L16 PolarHBondContact O-N 3.46Å
13	T	76.4	Confident	74.7	Confident	76 Å²	76	104.1 Å²	104.1	47%	0.466	53%	0.534	S	S	.	.	H	α-helix	trans	-66.7	-40.7	177.7	47.4	0	0	0	0	112.1	H9 F10 L16 L17	H9-T13 WeakPolarHBondContact O-CB 3.28Å; H9-T13 WeakPolarHBondContact O-CG2 3.37Å; H9-T13 PolarHBondContact O-N 3.45Å; H9-T13 PolarHBondContact O-OG1 3.32Å; F10-T13 WeakPolarHBondContact CA-OG1 3.42Å; F10-T13 PolarHBondContact O-OG1 3.44Å; F10-T13 VanDerWaalsContact O-OG1 3.06Å; T13-L16 PolarHBondContact O-N 3.47Å; T13-L17 WeakPolarHBondContact O-CB 3.36Å; T13-L17 PolarHBondContact O-N 2.05Å
14	G	77.8	Confident	75.2	Confident	35 Å²	35	101.9 Å²	101.9	36%	0.361	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-41.4	174.1	0	0	0	0	0	113.1	F10 F11 T18	F10-G14 PolarHBondContact O-N 2.94Å; F11-G14 PolarHBondContact O-N 2.82Å; G14-T18 WeakPolarHBondContact O-CB 3.43Å; G14-T18 PolarHBondContact O-N 3.05Å; G14-T18 PolarHBondContact O-OG1 3.49Å
15	L	78.8	Confident	76	Confident	91 Å²	91	103.5 Å²	103.5	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-46.6	175.3	-173	72.1	0	0	0	111.1	F11 Q12 L17 T18 L19	F11-L15 WeakPolarHBondContact O-CB 3.17Å; F11-L15 PolarHBondContact O-N 3.28Å; Q12-L15 PolarHBondContact O-N 2.94Å; L15-L17 PolarHBondContact O-N 2.83Å; L15-T18 PolarHBondContact O-N 3Å; L15-L19 HydrophobicContact CG-CD1 4.1Å; L15-L19 WeakPolarHBondContact O-CB 3.32Å; L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.32Å
16	L	80.8	Confident	76.8	Confident	115 Å²	115	100.4 Å²	100.4	60%	0.602	51%	0.513	S	S	*	.	H	α-helix	trans	-58.8	-48.4	177.7	-169.8	74	0	0	0	110.7	Q12 T13 T18 L19 T20	Q12-L16 WeakPolarHBondContact O-CB 3.5Å; Q12-L16 PolarHBondContact O-N 3.46Å; T13-L16 PolarHBondContact O-N 3.47Å; L16-T18 VanDerWaalsContact C-N 3.3Å; L16-T18 PolarHBondContact O-N 3.22Å; L16-L19 PolarHBondContact O-N 2.93Å; L16-T20 WeakPolarHBondContact O-CB 3.29Å; L16-T20 PolarHBondContact O-N 3.31Å; L16-T20 PolarHBondContact O-OG1 3.4Å
17	L	79.5	Confident	77.7	Confident	99 Å²	99	97.1 Å²	97.1	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-60.9	-39.5	178.9	-165.4	114.2	0	0	0	112	T13 L15 K21	T13-L17 WeakPolarHBondContact O-CB 3.36Å; T13-L17 PolarHBondContact O-N 2.05Å; L15-L17 PolarHBondContact O-N 2.83Å; L17-K21 HydrophobicContact CD2-CD 4.26Å; L17-K21 WeakPolarHBondContact O-CB 3.47Å; L17-K21 WeakPolarHBondContact O-CG 3.45Å; L17-K21 PolarHBondContact O-N 3.22Å
18	T	77	Confident	78.2	Confident	72 Å²	72	101.5 Å²	101.5	44%	0.442	51%	0.506	S	S	.	.	H	α-helix	trans	-67.6	-43.1	177.4	-56.1	0	0	0	0	111.5	G14 L15 L16 K21 K22	G14-T18 WeakPolarHBondContact O-CB 3.43Å; G14-T18 PolarHBondContact O-N 3.05Å; G14-T18 PolarHBondContact O-OG1 3.49Å; L15-T18 PolarHBondContact O-N 3Å; L16-T18 VanDerWaalsContact C-N 3.3Å; L16-T18 PolarHBondContact O-N 3.22Å; T18-K21 PolarHBondContact O-N 3.47Å; T18-K22 WeakPolarHBondContact O-CG 3.35Å; T18-K22 PolarHBondContact O-N 3.43Å
19	L	77.4	Confident	78.7	Confident	100 Å²	100	102.2 Å²	102.2	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-44.1	176	-72.5	172.1	0	0	0	111.3	L15 L16 K21 K22 F23	L15-L19 HydrophobicContact CG-CD1 4.1Å; L15-L19 WeakPolarHBondContact O-CB 3.32Å; L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.32Å; L16-L19 PolarHBondContact O-N 2.93Å; L19-K21 PolarHBondContact O-N 3.14Å; L19-K22 PolarHBondContact O-N 2.95Å; L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 3.33Å
20	T	77.9	Confident	79.4	Confident	64 Å²	64	105.7 Å²	105.7	39%	0.393	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-44.4	177.2	-54.5	0	0	0	0	111.3	L16 F23 Q24	L16-T20 WeakPolarHBondContact O-CB 3.29Å; L16-T20 PolarHBondContact O-N 3.31Å; L16-T20 PolarHBondContact O-OG1 3.4Å; T20-F23 PolarHBondContact O-N 3.43Å; T20-Q24 HydrophobicContact CG2-CG 4.4Å; T20-Q24 WeakPolarHBondContact O-CB 3.46Å; T20-Q24 VanDerWaalsContact O-CG 3.26Å; T20-Q24 WeakPolarHBondContact O-CG 3.06Å; T20-Q24 PolarHBondContact O-N 3.44Å
21	K	80.5	Confident	80	Confident	122 Å²	122	103.3 Å²	103.3	53%	0.53	51%	0.513	S	S	.	.	H	α-helix	trans	-62	-45.9	176.4	-77.1	-178.4	177.9	-177.6	0	112.1	L17 T18 L19 Q24 I25	L17-K21 HydrophobicContact CD2-CD 4.26Å; L17-K21 WeakPolarHBondContact O-CB 3.47Å; L17-K21 WeakPolarHBondContact O-CG 3.45Å; L17-K21 PolarHBondContact O-N 3.22Å; T18-K21 PolarHBondContact O-N 3.47Å; L19-K21 PolarHBondContact O-N 3.14Å; K21-Q24 PolarHBondContact O-N 3.36Å; K21-I25 VanDerWaalsContact O-CG1 3.29Å; K21-I25 WeakPolarHBondContact O-CG1 3.16Å; K21-I25 PolarHBondContact O-N 2.78Å
22	K	79.5	Confident	80.5	Confident	138 Å²	138	100.2 Å²	100.2	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-43.5	176.5	-75.1	-175.7	177.5	-175.5	0	111.5	T18 L19 I25 T26	T18-K22 WeakPolarHBondContact O-CG 3.35Å; T18-K22 PolarHBondContact O-N 3.43Å; L19-K22 PolarHBondContact O-N 2.95Å; K22-I25 PolarHBondContact O-N 3.44Å; K22-T26 PolarHBondContact O-N 2.86Å; K22-T26 PolarHBondContact O-OG1 3.5Å
23	F	79	Confident	80.8	Confident	139 Å²	139	101.7 Å²	101.7	61%	0.61	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-41.8	178.6	-169.6	-112.3	0	0	0	111.9	L19 T20 T26 I27	L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.47Å; L19-F23 PolarHBondContact O-N 3.33Å; T20-F23 PolarHBondContact O-N 3.43Å; F23-T26 PolarHBondContact O-N 2.93Å; F23-I27 HydrophobicContact CD1-CD1 3.41Å; F23-I27 VanDerWaalsContact CD1-CD1 3.41Å; F23-I27 HydrophobicContact CD1-CG1 4.34Å; F23-I27 HydrophobicContact CE1-CD1 3.18Å; F23-I27 HydrophobicContact CE1-CG1 4.15Å; F23-I27 HydrophobicContact CE2-CD1 4.46Å; F23-I27 HydrophobicContact CG-CD1 4.17Å; F23-I27 HydrophobicContact CZ-CD1 3.76Å; F23-I27 HydrophobicContact CZ-CG1 4.28Å; F23-I27 WeakPolarHBondContact O-CG1 3.47Å; F23-I27 PolarHBondContact O-N 3.3Å
24	Q	79.3	Confident	81.1	Confident	101 Å²	101	102.8 Å²	102.8	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-59.6	-49.1	174.1	-78.4	177	-19.4	0	0	111.7	T20 K21 T26 I27 W28	T20-Q24 HydrophobicContact CG2-CG 4.4Å; T20-Q24 WeakPolarHBondContact O-CB 3.46Å; T20-Q24 VanDerWaalsContact O-CG 3.26Å; T20-Q24 WeakPolarHBondContact O-CG 3.06Å; T20-Q24 PolarHBondContact O-N 3.44Å; K21-Q24 PolarHBondContact O-N 3.36Å; Q24-T26 VanDerWaalsContact C-N 3.3Å; Q24-T26 PolarHBondContact O-N 2.94Å; Q24-I27 PolarHBondContact O-N 2.89Å; Q24-W28 PolarHBondContact O-N 3.04Å
25	I	81.3	Confident	81.4	Confident	114 Å²	114	104.9 Å²	104.9	59%	0.585	52%	0.516	S	S	*	.	H	α-helix	trans	-59.1	-44	178.6	-67.7	164.1	0	0	0	110.6	K21 K22 W28 T29	K21-I25 VanDerWaalsContact O-CG1 3.29Å; K21-I25 WeakPolarHBondContact O-CG1 3.16Å; K21-I25 PolarHBondContact O-N 2.78Å; K22-I25 PolarHBondContact O-N 3.44Å; I25-W28 PolarHBondContact O-N 3.01Å; I25-T29 WeakPolarHBondContact O-CB 3.32Å; I25-T29 PolarHBondContact O-N 3.47Å; I25-T29 PolarHBondContact O-OG1 3.03Å
26	T	82.5	Confident	81.6	Confident	69 Å²	69	104.4 Å²	104.4	42%	0.423	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-48.3	177.2	-59	0	0	0	0	111.1	K22 F23 Q24 W28 T29 W30	K22-T26 PolarHBondContact O-N 2.86Å; K22-T26 PolarHBondContact O-OG1 3.5Å; F23-T26 PolarHBondContact O-N 2.93Å; Q24-T26 VanDerWaalsContact C-N 3.3Å; Q24-T26 PolarHBondContact O-N 2.94Å; T26-W28 PolarHBondContact O-N 2.91Å; T26-T29 WeakPolarHBondContact O-CB 3.41Å; T26-T29 PolarHBondContact O-N 2.93Å; T26-W30 PolarHBondContact O-N 3.22Å
27	I	84.3	Confident	81.6	Confident	68 Å²	68	100.6 Å²	100.6	35%	0.349	50%	0.496	S	S	.	.	H	α-helix	trans	-58.2	-47.5	177.3	-70.6	164.1	0	0	0	111.3	F23 Q24 T29 W30 L31	F23-I27 HydrophobicContact CD1-CD1 3.41Å; F23-I27 VanDerWaalsContact CD1-CD1 3.41Å; F23-I27 HydrophobicContact CD1-CG1 4.34Å; F23-I27 HydrophobicContact CE1-CD1 3.18Å; F23-I27 HydrophobicContact CE1-CG1 4.15Å; F23-I27 HydrophobicContact CE2-CD1 4.46Å; F23-I27 HydrophobicContact CG-CD1 4.17Å; F23-I27 HydrophobicContact CZ-CD1 3.76Å; F23-I27 HydrophobicContact CZ-CG1 4.28Å; F23-I27 WeakPolarHBondContact O-CG1 3.47Å; F23-I27 PolarHBondContact O-N 3.3Å; Q24-I27 PolarHBondContact O-N 2.89Å; I27-T29 VanDerWaalsContact C-N 3.28Å; I27-T29 PolarHBondContact O-N 3.44Å; I27-W30 PolarHBondContact O-N 2.85Å; I27-L31 HydrophobicContact CG2-CD1 3.74Å; I27-L31 HydrophobicContact CG2-CG 4.19Å; I27-L31 WeakPolarHBondContact O-CB 3.47Å; I27-L31 WeakPolarHBondContact O-CG 3.45Å; I27-L31 PolarHBondContact O-N 2.84Å
28	W	82	Confident	81.7	Confident	171 Å²	171	100 Å²	100	65%	0.648	50%	0.496	S	S	*	.	H	α-helix	trans	-60.2	-40.5	178.2	-80	114.6	0	0	0	111.9	Q24 I25 T26 L31 V32	Q24-W28 PolarHBondContact O-N 3.04Å; I25-W28 PolarHBondContact O-N 3.01Å; T26-W28 PolarHBondContact O-N 2.91Å; W28-L31 HydrophobicContact CE3-CD1 4.25Å; W28-L31 PolarHBondContact O-N 3.14Å; W28-V32 VanDerWaalsContact O-CG2 3.31Å; W28-V32 WeakPolarHBondContact O-CG2 3.28Å; W28-V32 PolarHBondContact O-N 3.47Å
29	T	82.6	Confident	81.8	Confident	88 Å²	88	101.6 Å²	101.6	54%	0.54	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-45.6	176	-54.2	0	0	0	0	111.3	I25 T26 I27 V32 Y33	I25-T29 WeakPolarHBondContact O-CB 3.32Å; I25-T29 PolarHBondContact O-N 3.47Å; I25-T29 PolarHBondContact O-OG1 3.03Å; T26-T29 WeakPolarHBondContact O-CB 3.41Å; T26-T29 PolarHBondContact O-N 2.93Å; I27-T29 VanDerWaalsContact C-N 3.28Å; I27-T29 PolarHBondContact O-N 3.44Å; T29-V32 PolarHBondContact O-N 2.96Å; T29-Y33 WeakPolarHBondContact O-CB 3.17Å; T29-Y33 PolarHBondContact O-N 3.45Å
30	W	85.1	Confident	81.6	Confident	160 Å²	160	102.6 Å²	102.6	61%	0.606	50%	0.498	S	S	*	.	H	α-helix	trans	-65.4	-40.2	176.4	-76.3	109.3	0	0	0	112.8	T26 I27 Y33 L34	T26-W30 PolarHBondContact O-N 3.22Å; I27-W30 PolarHBondContact O-N 2.85Å; W30-Y33 PolarHBondContact O-N 3.39Å; W30-L34 WeakPolarHBondContact O-CB 3.32Å; W30-L34 WeakPolarHBondContact O-CG 3.22Å; W30-L34 PolarHBondContact O-N 3.23Å
31	L	86.5	Confident	81.4	Confident	82 Å²	82	105.8 Å²	105.8	43%	0.429	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-45	176.6	-79.1	170.6	0	0	0	111.7	I27 W28 L34 T35	I27-L31 HydrophobicContact CG2-CD1 3.74Å; I27-L31 HydrophobicContact CG2-CG 4.19Å; I27-L31 WeakPolarHBondContact O-CB 3.47Å; I27-L31 WeakPolarHBondContact O-CG 3.45Å; I27-L31 PolarHBondContact O-N 2.84Å; W28-L31 HydrophobicContact CE3-CD1 4.25Å; W28-L31 PolarHBondContact O-N 3.14Å; L31-L34 PolarHBondContact O-N 3Å; L31-T35 WeakPolarHBondContact O-CB 3.31Å; L31-T35 PolarHBondContact O-N 3.48Å; L31-T35 PolarHBondContact O-OG1 3.35Å
32	V	86.4	Confident	81.2	Confident	81 Å²	81	104 Å²	104	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-45.3	176.4	171.7	0	0	0	0	110.3	W28 T29 L34 T35 I36	W28-V32 VanDerWaalsContact O-CG2 3.31Å; W28-V32 WeakPolarHBondContact O-CG2 3.28Å; W28-V32 PolarHBondContact O-N 3.47Å; T29-V32 PolarHBondContact O-N 2.96Å; V32-L34 PolarHBondContact O-N 3.1Å; V32-T35 PolarHBondContact O-N 3.32Å; V32-I36 HydrophobicContact CG1-CD1 3.73Å; V32-I36 HydrophobicContact CG1-CG1 4.44Å; V32-I36 WeakPolarHBondContact O-CB 3.34Å; V32-I36 VanDerWaalsContact O-CG1 3.3Å; V32-I36 WeakPolarHBondContact O-CG1 3.48Å; V32-I36 PolarHBondContact O-N 2.87Å
33	Y	82.2	Confident	80.8	Confident	151 Å²	151	102.9 Å²	102.9	59%	0.592	50%	0.503	S	S	*	.	H	α-helix	trans	-59.8	-45.7	177.3	-177.3	-96.9	0	0	0	112.5	T29 W30 I36 S37	T29-Y33 WeakPolarHBondContact O-CB 3.17Å; T29-Y33 PolarHBondContact O-N 3.45Å; W30-Y33 PolarHBondContact O-N 3.39Å; Y33-I36 PolarHBondContact O-N 2.92Å; Y33-S37 WeakPolarHBondContact O-CB 3.28Å; Y33-S37 PolarHBondContact O-N 2.92Å
34	L	82.3	Confident	80.3	Confident	98 Å²	98	99 Å²	99	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-62.3	-43.8	176.7	-78.9	170.1	0	0	0	111.8	W30 L31 V32 I36 S37 V38	W30-L34 WeakPolarHBondContact O-CB 3.32Å; W30-L34 WeakPolarHBondContact O-CG 3.22Å; W30-L34 PolarHBondContact O-N 3.23Å; L31-L34 PolarHBondContact O-N 3Å; V32-L34 PolarHBondContact O-N 3.1Å; L34-I36 PolarHBondContact O-N 3.45Å; L34-S37 PolarHBondContact O-N 3.5Å; L34-V38 WeakPolarHBondContact O-CG2 3.23Å; L34-V38 PolarHBondContact O-N 2.8Å
35	T	83.7	Confident	79.9	Confident	79 Å²	79	99.5 Å²	99.5	49%	0.485	50%	0.499	S	S	.	.	H	α-helix	trans	-61.4	-46.9	179.2	-55.1	0	0	0	0	111.1	L31 V32 S37 V38 I39	L31-T35 WeakPolarHBondContact O-CB 3.31Å; L31-T35 PolarHBondContact O-N 3.48Å; L31-T35 PolarHBondContact O-OG1 3.35Å; V32-T35 PolarHBondContact O-N 3.32Å; T35-S37 PolarHBondContact O-N 3.3Å; T35-V38 PolarHBondContact O-N 2.74Å; T35-I39 HydrophobicContact CG2-CD1 3.95Å; T35-I39 VanDerWaalsContact O-CG1 3.25Å; T35-I39 WeakPolarHBondContact O-CG1 3.27Å; T35-I39 PolarHBondContact O-N 3.45Å
36	I	82.9	Confident	79.3	Confident	81 Å²	81	97.2 Å²	97.2	42%	0.415	49%	0.49	S	S	.	.	H	α-helix	trans	-60.8	-46.6	176.7	-69.5	171.2	0	0	0	110.3	V32 Y33 L34 V38 I39 Y40	V32-I36 HydrophobicContact CG1-CD1 3.73Å; V32-I36 HydrophobicContact CG1-CG1 4.44Å; V32-I36 WeakPolarHBondContact O-CB 3.34Å; V32-I36 VanDerWaalsContact O-CG1 3.3Å; V32-I36 WeakPolarHBondContact O-CG1 3.48Å; V32-I36 PolarHBondContact O-N 2.87Å; Y33-I36 PolarHBondContact O-N 2.92Å; L34-I36 PolarHBondContact O-N 3.45Å; I36-V38 PolarHBondContact O-N 2.82Å; I36-I39 PolarHBondContact O-N 3.42Å; I36-Y40 HydrophobicContact CG2-CD2 3.53Å; I36-Y40 HydrophobicContact CG2-CE2 3.34Å; I36-Y40 WeakPolarHBondContact O-CD2 3.49Å; I36-Y40 PolarHBondContact O-N 3.33Å
37	S	81.1	Confident	78.4	Confident	36 Å²	36	95.9 Å²	95.9	25%	0.252	48%	0.483	S	S	.	.	H	α-helix	trans	-58.6	-47	178.4	-176.5	0	0	0	0	112.4	Y33 L34 T35 I39 Y40 H41	Y33-S37 WeakPolarHBondContact O-CB 3.28Å; Y33-S37 PolarHBondContact O-N 2.92Å; L34-S37 PolarHBondContact O-N 3.5Å; T35-S37 PolarHBondContact O-N 3.3Å; S37-I39 PolarHBondContact O-N 2.89Å; S37-Y40 PolarHBondContact O-N 3.45Å; S37-H41 PolarHBondContact O-CD2 3.44Å; S37-H41 PolarHBondContact O-N 2.83Å
38	V	81.3	Confident	77.3	Confident	85 Å²	85	95.3 Å²	95.3	52%	0.515	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-45.4	177.8	171.9	0	0	0	0	111	L34 T35 I36 Y40 H41 V42	L34-V38 WeakPolarHBondContact O-CG2 3.23Å; L34-V38 PolarHBondContact O-N 2.8Å; T35-V38 PolarHBondContact O-N 2.74Å; I36-V38 PolarHBondContact O-N 2.82Å; V38-Y40 VanDerWaalsContact C-N 3.29Å; V38-Y40 PolarHBondContact O-N 3.02Å; V38-H41 PolarHBondContact O-N 2.99Å; V38-V42 HydrophobicContact CG1-CG2 4.17Å; V38-V42 WeakPolarHBondContact O-CB 3.2Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.46Å; V38-V42 PolarHBondContact O-N 2.82Å
39	I	80.5	Confident	76.4	Confident	107 Å²	107	91.8 Å²	91.8	55%	0.549	48%	0.478	S	S	.	.	H	α-helix	trans	-58.7	-43.6	176.9	-68.4	166.6	0	0	0	110.4	T35 I36 S37 V42 F43	T35-I39 HydrophobicContact CG2-CD1 3.95Å; T35-I39 VanDerWaalsContact O-CG1 3.25Å; T35-I39 WeakPolarHBondContact O-CG1 3.27Å; T35-I39 PolarHBondContact O-N 3.45Å; I36-I39 PolarHBondContact O-N 3.42Å; S37-I39 PolarHBondContact O-N 2.89Å; I39-V42 PolarHBondContact O-N 2.83Å; I39-F43 WeakPolarHBondContact O-CB 3.35Å; I39-F43 PolarHBondContact O-N 2.74Å
40	Y	73.4	Confident	75.5	Confident	120 Å²	120	90.9 Å²	90.9	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-63	-43.4	176.4	-85.3	-66.5	0	0	0	112.8	I36 S37 V38 F43 S44	I36-Y40 HydrophobicContact CG2-CD2 3.53Å; I36-Y40 HydrophobicContact CG2-CE2 3.34Å; I36-Y40 WeakPolarHBondContact O-CD2 3.49Å; I36-Y40 PolarHBondContact O-N 3.33Å; S37-Y40 PolarHBondContact O-N 3.45Å; V38-Y40 VanDerWaalsContact C-N 3.29Å; V38-Y40 PolarHBondContact O-N 3.02Å; Y40-F43 PolarHBondContact O-N 2.84Å; Y40-S44 WeakPolarHBondContact O-CB 3.49Å; Y40-S44 PolarHBondContact O-N 2.88Å
41	H	73.7	Confident	74.4	Confident	131 Å²	131	85.1 Å²	85.1	61%	0.606	45%	0.447	S	S	*	.	H	α-helix	trans	-65.5	-44.6	178	-81.3	-66.4	0	0	0	112	S37 V38 S44 L45	S37-H41 PolarHBondContact O-CD2 3.44Å; S37-H41 PolarHBondContact O-N 2.83Å; V38-H41 PolarHBondContact O-N 2.99Å; H41-S44 PolarHBondContact O-N 3.47Å; H41-L45 VanDerWaalsContact O-CB 3.27Å; H41-L45 WeakPolarHBondContact O-CB 3.16Å; H41-L45 PolarHBondContact O-N 2.86Å
42	V	75.4	Confident	73.3	Confident	84 Å²	84	87.5 Å²	87.5	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-62.8	-46.8	175.8	173.6	0	0	0	0	110.2	V38 I39 S44 L45 V46	V38-V42 HydrophobicContact CG1-CG2 4.17Å; V38-V42 WeakPolarHBondContact O-CB 3.2Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.46Å; V38-V42 PolarHBondContact O-N 2.82Å; I39-V42 PolarHBondContact O-N 2.83Å; V42-S44 PolarHBondContact O-N 3.32Å; V42-L45 PolarHBondContact O-N 3.48Å; V42-V46 HydrophobicContact CG1-CG2 4.23Å; V42-V46 WeakPolarHBondContact O-CB 3.29Å; V42-V46 VanDerWaalsContact O-CG2 3.26Å; V42-V46 WeakPolarHBondContact O-CG2 3.44Å; V42-V46 PolarHBondContact O-N 3.27Å
43	F	70.4	Confident	72.2	Confident	115 Å²	115	89.2 Å²	89.2	50%	0.504	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-43.5	178	-175.1	-95.5	0	0	0	112	I39 Y40 L45 V46 C47 L92	I39-F43 WeakPolarHBondContact O-CB 3.35Å; I39-F43 PolarHBondContact O-N 2.74Å; Y40-F43 PolarHBondContact O-N 2.84Å; F43-L45 VanDerWaalsContact C-N 3.31Å; F43-L45 PolarHBondContact O-N 3.49Å; F43-V46 PolarHBondContact O-N 3.48Å; F43-C47 WeakPolarHBondContact O-CB 3.45Å; F43-C47 PolarHBondContact O-N 2.94Å; F43-L92 HydrophobicContact CD1-CD1 4.26Å; F43-L92 HydrophobicContact CE1-CD1 4.04Å
44	S	68.5	Low	71.2	Confident	59 Å²	59	83.8 Å²	83.8	41%	0.413	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-40.9	175.4	-176.2	0	0	0	0	111.5	Y40 H41 V42 S48	Y40-S44 WeakPolarHBondContact O-CB 3.49Å; Y40-S44 PolarHBondContact O-N 2.88Å; H41-S44 PolarHBondContact O-N 3.47Å; V42-S44 PolarHBondContact O-N 3.32Å; S44-S48 WeakPolarHBondContact O-CB 3.33Å; S44-S48 PolarHBondContact O-N 2.82Å
45	L	71	Confident	70.1	Confident	110 Å²	110	80.2 Å²	80.2	58%	0.576	43%	0.426	S	S	*	.	H	α-helix	trans	-70.8	-43.5	179.9	-166.3	137.7	0	0	0	111.4	H41 V42 F43 C47 S48 L49	H41-L45 VanDerWaalsContact O-CB 3.27Å; H41-L45 WeakPolarHBondContact O-CB 3.16Å; H41-L45 PolarHBondContact O-N 2.86Å; V42-L45 PolarHBondContact O-N 3.48Å; F43-L45 VanDerWaalsContact C-N 3.31Å; F43-L45 PolarHBondContact O-N 3.49Å; L45-C47 PolarHBondContact O-N 2.93Å; L45-S48 WeakPolarHBondContact O-CB 3.26Å; L45-S48 PolarHBondContact O-N 2.87Å; L45-L49 HydrophobicContact CD2-CD1 3.63Å; L45-L49 HydrophobicContact CD2-CG 4.3Å; L45-L49 WeakPolarHBondContact O-CB 3.44Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 2.78Å
46	V	69.7	Low	68.9	Low	66 Å²	66	79.9 Å²	79.9	40%	0.4	42%	0.421	S	S	.	.	H	α-helix	trans	-61.4	-43.5	173.5	171.4	0	0	0	0	111	V42 F43 S48 L49 K50	V42-V46 HydrophobicContact CG1-CG2 4.23Å; V42-V46 WeakPolarHBondContact O-CB 3.29Å; V42-V46 VanDerWaalsContact O-CG2 3.26Å; V42-V46 WeakPolarHBondContact O-CG2 3.44Å; V42-V46 PolarHBondContact O-N 3.27Å; F43-V46 PolarHBondContact O-N 3.48Å; V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 PolarHBondContact O-N 3.32Å; V46-L49 PolarHBondContact O-N 3.22Å; V46-K50 WeakPolarHBondContact O-CG 3.45Å; V46-K50 PolarHBondContact O-N 3.28Å
47	C	63.2	Low	67.8	Low	42 Å²	42	76.2 Å²	76.2	28%	0.284	40%	0.402	S	S	.	.	H	α-helix	trans	-64.8	-39.3	177.6	-168.3	0	0	0	0	111.6	F43 L45 K50 Q51	F43-C47 WeakPolarHBondContact O-CB 3.45Å; F43-C47 PolarHBondContact O-N 2.94Å; L45-C47 PolarHBondContact O-N 2.93Å; C47-K50 PolarHBondContact O-N 3.04Å; C47-Q51 VanDerWaalsContact O-CG 3.32Å; C47-Q51 WeakPolarHBondContact O-CG 3.44Å; C47-Q51 PolarHBondContact O-N 2.84Å; C47-Q51 PolarHBondContact O-NE2 2.73Å; C47-Q51 PolarHBondContact SG-NE2 3.38Å
48	S	60.5	Low	66.9	Low	56 Å²	56	78 Å²	78	39%	0.392	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-45.7	173.4	-169.2	0	0	0	0	111.8	S44 L45 V46 K50 Q51 F52	S44-S48 WeakPolarHBondContact O-CB 3.33Å; S44-S48 PolarHBondContact O-N 2.82Å; L45-S48 WeakPolarHBondContact O-CB 3.26Å; L45-S48 PolarHBondContact O-N 2.87Å; V46-S48 VanDerWaalsContact C-N 3.33Å; V46-S48 PolarHBondContact O-N 3.32Å; S48-K50 PolarHBondContact O-N 3.02Å; S48-Q51 PolarHBondContact O-N 3.31Å; S48-F52 PolarHBondContact O-N 2.71Å
49	L	64.2	Low	65.7	Low	96 Å²	96	79.8 Å²	79.8	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-62.1	-42.3	176.6	-74.7	171.3	0	0	0	112.1	L45 V46 Q51 F52 L53	L45-L49 HydrophobicContact CD2-CD1 3.63Å; L45-L49 HydrophobicContact CD2-CG 4.3Å; L45-L49 WeakPolarHBondContact O-CB 3.44Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 2.78Å; V46-L49 PolarHBondContact O-N 3.22Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-Q51 PolarHBondContact O-N 2.69Å; L49-F52 WeakPolarHBondContact O-CB 3.37Å; L49-F52 PolarHBondContact O-N 3.08Å; L49-L53 PolarHBondContact O-N 2.99Å
50	K	63.5	Low	64.8	Low	70 Å²	70	81 Å²	81	30%	0.304	41%	0.405	S	S	.	.	H	α-helix	trans	-62.1	-40.5	175	-77	-162.7	175.2	-145.6	0	112.1	V46 C47 S48 F52 L53 L54 E114	V46-K50 WeakPolarHBondContact O-CG 3.45Å; V46-K50 PolarHBondContact O-N 3.28Å; C47-K50 PolarHBondContact O-N 3.04Å; S48-K50 PolarHBondContact O-N 3.02Å; K50-F52 VanDerWaalsContact C-N 3.33Å; K50-L53 PolarHBondContact O-N 3Å; K50-L54 WeakPolarHBondContact O-CB 3.13Å; K50-L54 WeakPolarHBondContact O-CD1 3.24Å; K50-L54 WeakPolarHBondContact O-CG 3.47Å; K50-L54 PolarHBondContact O-N 2.69Å; K50-E114 WeakPolarHBondContact CE-OE1 3.5Å; K50-E114 IonicContact NZ-OE1 2.78Å; K50-E114 PolarHBondContact NZ-OE1 3.06Å; K50-E114 IonicContact NZ-OE2 2.89Å; K50-E114 PolarHBondContact NZ-OE2 2.95Å
51	Q	62.7	Low	64.2	Low	39 Å²	39	79.3 Å²	79.3	18%	0.182	40%	0.402	C	S	.	.	H	α-helix	trans	-65.4	-38.2	175.3	-74	167.2	39.5	0	0	112.2	C47 S48 L49 L54 A55 C88	C47-Q51 VanDerWaalsContact O-CG 3.32Å; C47-Q51 WeakPolarHBondContact O-CG 3.44Å; C47-Q51 PolarHBondContact O-N 2.84Å; C47-Q51 PolarHBondContact O-NE2 2.73Å; C47-Q51 PolarHBondContact SG-NE2 3.38Å; S48-Q51 PolarHBondContact O-N 3.31Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-Q51 PolarHBondContact O-N 2.69Å; Q51-L54 PolarHBondContact O-N 3.48Å; Q51-A55 WeakPolarHBondContact O-CB 3.1Å; Q51-A55 PolarHBondContact O-N 2.81Å; Q51-C88 PolarHBondContact NE2-SG 3.2Å
52	F	63.1	Low	63.4	Low	131 Å²	131	79.1 Å²	79.1	58%	0.575	40%	0.396	S	S	*	.	H	α-helix	trans	-63.1	-48.4	175.3	-168.7	-93.7	0	0	0	111.2	S48 L49 K50 L54 A55 D56	S48-F52 PolarHBondContact O-N 2.71Å; L49-F52 WeakPolarHBondContact O-CB 3.37Å; L49-F52 PolarHBondContact O-N 3.08Å; K50-F52 VanDerWaalsContact C-N 3.33Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L54 PolarHBondContact O-N 2.82Å; F52-A55 WeakPolarHBondContact O-CB 3.35Å; F52-A55 PolarHBondContact O-N 2.74Å; F52-A55 VanDerWaalsContact O-N 3.14Å; F52-D56 WeakPolarHBondContact CD1-OD2 3.15Å; F52-D56 WeakPolarHBondContact CE1-OD2 3.41Å; F52-D56 PolarHBondContact O-N 3.16Å
53	L	63.5	Low	62.5	Low	117 Å²	117	83.5 Å²	83.5	61%	0.613	40%	0.404	S	S	*	.	H	α-helix	trans	-60.5	-40.5	176.1	-76.4	162.9	0	0	0	112.9	L49 K50 D56 C57	L49-L53 PolarHBondContact O-N 2.99Å; K50-L53 PolarHBondContact O-N 3Å; L53-D56 PolarHBondContact O-N 3.48Å; L53-C57 WeakPolarHBondContact O-CB 3.26Å; L53-C57 PolarHBondContact O-N 3.38Å
54	L	60.9	Low	62.1	Low	37 Å²	37	85.5 Å²	85.5	19%	0.194	41%	0.412	C	S	.	.	H	α-helix	trans	-66.2	-39.5	175	-77.3	162.7	0	0	0	111.9	K50 Q51 F52 C57 I58	K50-L54 WeakPolarHBondContact O-CB 3.13Å; K50-L54 WeakPolarHBondContact O-CD1 3.24Å; K50-L54 WeakPolarHBondContact O-CG 3.47Å; K50-L54 PolarHBondContact O-N 2.69Å; Q51-L54 PolarHBondContact O-N 3.48Å; F52-L54 VanDerWaalsContact C-N 3.35Å; F52-L54 PolarHBondContact O-N 2.82Å; L54-C57 PolarHBondContact O-N 3.32Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 2.93Å
55	A	59.5	Low	61.5	Low	24 Å²	24	86.5 Å²	86.5	20%	0.198	42%	0.424	C	S	.	.	H	α-helix	trans	-64.3	-41.8	176.2	0	0	0	0	0	111.3	Q51 F52 I58 Y59 T81	Q51-A55 WeakPolarHBondContact O-CB 3.1Å; Q51-A55 PolarHBondContact O-N 2.81Å; F52-A55 WeakPolarHBondContact O-CB 3.35Å; F52-A55 PolarHBondContact O-N 2.74Å; F52-A55 VanDerWaalsContact O-N 3.14Å; A55-I58 PolarHBondContact O-N 3.28Å; A55-Y59 VanDerWaalsContact O-CB 3.29Å; A55-Y59 WeakPolarHBondContact O-CB 3.35Å; A55-Y59 PolarHBondContact O-N 2.82Å; A55-T81 HydrophobicContact CB-CG2 4.17Å
56	D	57.6	Low	60.6	Low	72 Å²	72	84.7 Å²	84.7	39%	0.385	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-40.5	174.6	-78.1	-22.8	0	0	0	112.1	F52 L53 Y59 Y60	F52-D56 WeakPolarHBondContact CD1-OD2 3.15Å; F52-D56 WeakPolarHBondContact CE1-OD2 3.41Å; F52-D56 PolarHBondContact O-N 3.16Å; L53-D56 PolarHBondContact O-N 3.48Å; D56-Y59 PolarHBondContact O-N 3.48Å; D56-Y60 WeakPolarHBondContact O-CB 3.2Å; D56-Y60 PolarHBondContact O-N 2.82Å
57	C	59	Low	59.6	Low	4 Å²	4	85.7 Å²	85.7	3%	0.027	43%	0.43	C	S	.	.	H	α-helix	trans	-63.3	-45.8	176.2	-176.4	0	0	0	0	111.6	L53 L54 Y59 Y60 Q61 C117 M121	L53-C57 WeakPolarHBondContact O-CB 3.26Å; L53-C57 PolarHBondContact O-N 3.38Å; L54-C57 PolarHBondContact O-N 3.32Å; C57-Y59 VanDerWaalsContact C-N 3.34Å; C57-Y59 PolarHBondContact O-N 2.83Å; C57-Y60 PolarHBondContact O-N 3.45Å; C57-Q61 WeakPolarHBondContact O-CG 3.34Å; C57-Q61 PolarHBondContact O-N 3.4Å; C57-C117 HydrophobicContact CB-CB 4.26Å; C57-C117 WeakPolarHBondContact CB-SG 3.43Å; C57-C117 WeakPolarHBondContact SG-CB 3.27Å; C57-C117 CovalentContact SG-SG 2.05Å; C57-C117 PolarHBondContact SG-SG 3.45Å; C57-M121 HydrophobicContact CB-CE 3.8Å
58	I	63	Low	58.7	Low	74 Å²	74	92.7 Å²	92.7	38%	0.379	46%	0.456	S	S	.	.	H	α-helix	trans	-62.7	-43.8	175.4	-66.5	165.2	0	0	0	110	L54 A55 Y60 Q61 Y62	L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.38Å; L54-I58 PolarHBondContact O-N 2.93Å; A55-I58 PolarHBondContact O-N 3.28Å; I58-Y60 VanDerWaalsContact C-N 3.33Å; I58-Y60 PolarHBondContact O-N 3.47Å; I58-Q61 PolarHBondContact O-N 3.45Å; I58-Y62 HydrophobicContact CG2-CD2 4.45Å; I58-Y62 WeakPolarHBondContact O-CB 3.1Å; I58-Y62 PolarHBondContact O-N 3.44Å
59	Y	56.8	Low	58	Low	121 Å²	121	93.6 Å²	93.6	48%	0.475	47%	0.474	S	S	.	.	H	α-helix	trans	-58.6	-44.1	176.5	175.6	-100	0	0	0	111.8	A55 D56 C57 Y62 R63	A55-Y59 VanDerWaalsContact O-CB 3.29Å; A55-Y59 WeakPolarHBondContact O-CB 3.35Å; A55-Y59 PolarHBondContact O-N 2.82Å; D56-Y59 PolarHBondContact O-N 3.48Å; C57-Y59 VanDerWaalsContact C-N 3.34Å; C57-Y59 PolarHBondContact O-N 2.83Å; Y59-Y62 PolarHBondContact O-N 3.47Å; Y59-R63 WeakPolarHBondContact O-CB 3.19Å; Y59-R63 PolarHBondContact O-N 3.2Å
60	Y	60.2	Low	57.4	Low	133 Å²	133	94 Å²	94	52%	0.522	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-44.9	177.6	-170.3	-94.1	0	0	0	112.1	D56 C57 I58 R63 K64	D56-Y60 WeakPolarHBondContact O-CB 3.2Å; D56-Y60 PolarHBondContact O-N 2.82Å; C57-Y60 PolarHBondContact O-N 3.45Å; I58-Y60 VanDerWaalsContact C-N 3.33Å; I58-Y60 PolarHBondContact O-N 3.47Å; Y60-R63 PolarHBondContact O-N 2.89Å; Y60-K64 WeakPolarHBondContact O-CB 3.48Å; Y60-K64 PolarHBondContact O-N 3.45Å
61	Q	60.9	Low	56.6	Low	84 Å²	84	96.3 Å²	96.3	39%	0.393	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-41.8	175.2	-72.3	-165	-2.2	0	0	111.9	C57 I58 R63 K64 A65 N120	C57-Q61 WeakPolarHBondContact O-CG 3.34Å; C57-Q61 PolarHBondContact O-N 3.4Å; I58-Q61 PolarHBondContact O-N 3.45Å; Q61-R63 VanDerWaalsContact C-N 3.33Å; Q61-R63 PolarHBondContact O-N 2.85Å; Q61-K64 PolarHBondContact O-N 3.35Å; Q61-A65 WeakPolarHBondContact O-CB 3.27Å; Q61-A65 PolarHBondContact O-N 3.03Å; Q61-N120 PolarHBondContact NE2-ND2 3.45Å
62	Y	56.9	Low	56.2	Low	127 Å²	127	98 Å²	98	50%	0.498	51%	0.512	S	S	.	.	H	α-helix	trans	-62.1	-41.5	176.4	-125.9	-88.4	0	0	0	111.5	I58 Y59 A65 N66 L72	I58-Y62 HydrophobicContact CG2-CD2 4.45Å; I58-Y62 WeakPolarHBondContact O-CB 3.1Å; I58-Y62 PolarHBondContact O-N 3.44Å; Y59-Y62 PolarHBondContact O-N 3.47Å; Y62-A65 PolarHBondContact O-N 3.24Å; Y62-N66 WeakPolarHBondContact CD1-ND2 3.31Å; Y62-N66 WeakPolarHBondContact CE1-ND2 3.3Å; Y62-N66 VanDerWaalsContact O-CB 3.27Å; Y62-N66 WeakPolarHBondContact O-CB 3.31Å; Y62-N66 PolarHBondContact O-N 2.95Å; Y62-L72 HydrophobicContact CD1-CD1 3.96Å; Y62-L72 HydrophobicContact CE1-CD1 4Å
63	R	57.3	Low	55.8	Low	176 Å²	176	94.4 Å²	94.4	66%	0.664	50%	0.503	S	S	*	.	H	α-helix	trans	-67.1	-38.5	177	-167.4	-179.2	-175.4	-178.6	2.7	112.2	Y59 Y60 Q61 N66	Y59-R63 WeakPolarHBondContact O-CB 3.19Å; Y59-R63 PolarHBondContact O-N 3.2Å; Y60-R63 PolarHBondContact O-N 2.89Å; Q61-R63 VanDerWaalsContact C-N 3.33Å; Q61-R63 PolarHBondContact O-N 2.85Å; R63-N66 CarbonylContact O-C 3.48Å
64	K	61.1	Low	55.3	Low	158 Å²	158	92.8 Å²	92.8	69%	0.687	51%	0.507	S	S	*	.	H	α-helix	trans	-69.3	-36.3	177.1	-163.6	178.4	-179.3	-179	0	111.8	Y60 Q61	Y60-K64 WeakPolarHBondContact O-CB 3.48Å; Y60-K64 PolarHBondContact O-N 3.45Å; Q61-K64 PolarHBondContact O-N 3.35Å
65	A	56.8	Low	54.8	Low	80 Å²	80	94.6 Å²	94.6	66%	0.661	52%	0.523	S	S	*	.	H	α-helix	trans	-75.5	-38.3	175.6	0	0	0	0	0	112.6	Q61 Y62 A67	Q61-A65 WeakPolarHBondContact O-CB 3.27Å; Q61-A65 PolarHBondContact O-N 3.03Å; Y62-A65 PolarHBondContact O-N 3.24Å; A65-A67 PolarHBondContact O-N 3.38Å
66	N	52.5	Low	54.6	Low	72 Å²	72	98.6 Å²	98.6	39%	0.385	54%	0.54	S	S	.	.			trans	-97.2	55.5	179.6	-71.3	-7.3	0	0	0	112	Y62 R63 F68	Y62-N66 WeakPolarHBondContact CD1-ND2 3.31Å; Y62-N66 WeakPolarHBondContact CE1-ND2 3.3Å; Y62-N66 VanDerWaalsContact O-CB 3.27Å; Y62-N66 WeakPolarHBondContact O-CB 3.31Å; Y62-N66 PolarHBondContact O-N 2.95Å; R63-N66 CarbonylContact O-C 3.48Å; N66-F68 PolarHBondContact O-N 3.49Å
67	A	48.5	Very low	54.5	Low	86 Å²	86	97.7 Å²	97.7	71%	0.711	54%	0.537	S	S	*	.			trans	-57.9	1.3	166.7	0	0	0	0	0	113.8	A65	A65-A67 PolarHBondContact O-N 3.38Å
68	F	44.9	Very low	54.2	Low	190 Å²	190	99.3 Å²	99.3	83%	0.833	55%	0.551	S	S	*	*	S	Bend	trans	-120.2	96.5	169.1	-82	-90.1	0	0	0	111.9	N66 V70	N66-F68 PolarHBondContact O-N 3.49Å; F68-V70 PolarHBondContact O-N 3.17Å
69	G	45.9	Very low	53.7	Low	75 Å²	75	98.5 Å²	98.5	77%	0.773	56%	0.555	S	S	*	*				80.9	1.5	121.6	0	0	0	0	0	121.8
70	V	49.9	Very low	53.6	Low	104 Å²	104	98 Å²	98	63%	0.63	55%	0.553	S	S	*	*			trans	-110.1	113.2	177.4	-169.8	0	0	0	0	111.2	F68 L72	F68-V70 PolarHBondContact O-N 3.17Å; V70-L72 PolarHBondContact O-N 3.3Å
71	P	48.7	Very low	53.4	Low	118 Å²	118	93.8 Å²	93.8	77%	0.766	54%	0.541	S	S	*	.			trans	-67.9	99.2	170.9	27.6	-30.8	0	0	0	108.4	S73	P71-S73 PolarHBondContact O-N 2.91Å
72	L	54	Low	53.3	Low	75 Å²	75	94.6 Å²	94.6	39%	0.393	55%	0.547	S	S	.	.			trans	-63.9	106.8	160.6	-93.3	100.4	0	0	0	106.4	Y62 V70 A74 L76	Y62-L72 HydrophobicContact CD1-CD1 3.96Å; Y62-L72 HydrophobicContact CE1-CD1 4Å; V70-L72 PolarHBondContact O-N 3.3Å; L72-A74 PolarHBondContact O-N 3.47Å; L72-L76 HydrophobicContact CD2-CD2 4.05Å
73	S	53.2	Low	53.2	Low	55 Å²	55	94.2 Å²	94.2	39%	0.385	55%	0.55	S	S	.	*			trans	-55.8	138.8	-179.3	55	0	0	0	0	109.7	P71 S75 L76	P71-S73 PolarHBondContact O-N 2.91Å; S73-S75 VanDerWaalsContact CB-OG 3.28Å; S73-S75 WeakPolarHBondContact CB-OG 3.13Å; S73-S75 PolarHBondContact O-N 3.2Å; S73-S75 PolarHBondContact OG-OG 2.98Å; S73-L76 PolarHBondContact O-N 3.48Å
74	A	53.9	Low	53.2	Low	83 Å²	83	91.1 Å²	91.1	69%	0.686	54%	0.539	S	S	*	.	H	α-helix	trans	-51	-24.4	172.5	0	0	0	0	0	112	L72 A78	L72-A74 PolarHBondContact O-N 3.47Å; A74-A78 WeakPolarHBondContact O-CB 3.25Å; A74-A78 PolarHBondContact O-N 3.01Å
75	S	50	Low	52.9	Low	76 Å²	76	87.5 Å²	87.5	53%	0.531	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-33.9	173	62.1	0	0	0	0	114.4	S73 A79	S73-S75 VanDerWaalsContact CB-OG 3.28Å; S73-S75 WeakPolarHBondContact CB-OG 3.13Å; S73-S75 PolarHBondContact O-N 3.2Å; S73-S75 PolarHBondContact OG-OG 2.98Å; S75-A79 WeakPolarHBondContact O-CB 3.33Å; S75-A79 PolarHBondContact O-N 3.4Å
76	L	55.3	Low	52.7	Low	108 Å²	108	87.5 Å²	87.5	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-74.7	-39.6	178.5	-143	104.6	0	0	0	110.6	L72 S73 A79 Y80	L72-L76 HydrophobicContact CD2-CD2 4.05Å; S73-L76 PolarHBondContact O-N 3.48Å; L76-A79 PolarHBondContact O-N 2.89Å; L76-Y80 VanDerWaalsContact O-CB 3.28Å; L76-Y80 WeakPolarHBondContact O-CB 3.5Å; L76-Y80 PolarHBondContact O-N 2.91Å
77	V	55.8	Low	52.6	Low	52 Å²	52	90.2 Å²	90.2	32%	0.315	53%	0.529	S	S	.	.	H	α-helix	trans	-65	-45.3	173.1	-178.3	0	0	0	0	110	Y80 T81	V77-Y80 PolarHBondContact O-N 3.27Å; V77-T81 HydrophobicContact CG1-CG2 4.41Å; V77-T81 WeakPolarHBondContact O-CB 3.33Å; V77-T81 WeakPolarHBondContact O-CG2 3.45Å; V77-T81 PolarHBondContact O-N 3.47Å; V77-T81 PolarHBondContact O-OG1 3.29Å
78	A	52.1	Low	52.6	Low	39 Å²	39	88 Å²	88	32%	0.322	51%	0.508	S	S	.	.	H	α-helix	trans	-62.9	-41.9	175.2	0	0	0	0	0	112.3	A74 Y80 T81 I82	A74-A78 WeakPolarHBondContact O-CB 3.25Å; A74-A78 PolarHBondContact O-N 3.01Å; A78-Y80 VanDerWaalsContact C-N 3.34Å; A78-Y80 PolarHBondContact O-N 3.49Å; A78-T81 VanDerWaalsContact CA-OG1 3.31Å; A78-T81 WeakPolarHBondContact CA-OG1 3.41Å; A78-T81 PolarHBondContact O-N 2.76Å; A78-T81 PolarHBondContact O-OG1 2.95Å; A78-I82 VanDerWaalsContact O-CB 3.26Å; A78-I82 WeakPolarHBondContact O-CB 3.41Å; A78-I82 WeakPolarHBondContact O-CD1 3.44Å; A78-I82 WeakPolarHBondContact O-CG1 3.46Å; A78-I82 PolarHBondContact O-N 3.47Å
79	A	52.5	Low	52.9	Low	56 Å²	56	88.7 Å²	88.7	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-64.7	-40.6	176	0	0	0	0	0	111.2	S75 L76 Q83	S75-A79 WeakPolarHBondContact O-CB 3.33Å; S75-A79 PolarHBondContact O-N 3.4Å; L76-A79 PolarHBondContact O-N 2.89Å; A79-Q83 VanDerWaalsContact O-CB 3.22Å; A79-Q83 WeakPolarHBondContact O-CB 3.38Å; A79-Q83 PolarHBondContact O-N 3.44Å
80	Y	55.6	Low	53.2	Low	110 Å²	110	91.6 Å²	91.6	43%	0.431	50%	0.498	S	S	.	.	H	α-helix	trans	-67.4	-42.5	176.9	-169.9	-99.8	0	0	0	112.3	L76 V77 A78 Q83 R84	L76-Y80 VanDerWaalsContact O-CB 3.28Å; L76-Y80 WeakPolarHBondContact O-CB 3.5Å; L76-Y80 PolarHBondContact O-N 2.91Å; V77-Y80 PolarHBondContact O-N 3.27Å; A78-Y80 VanDerWaalsContact C-N 3.34Å; A78-Y80 PolarHBondContact O-N 3.49Å; Y80-Q83 PolarHBondContact O-N 2.97Å; Y80-R84 HydrophobicContact CD1-CG 4.42Å; Y80-R84 HydrophobicContact CE1-CG 4.07Å; Y80-R84 VanDerWaalsContact CZ-NE 3.33Å; Y80-R84 WeakPolarHBondContact O-CB 3.34Å; Y80-R84 PolarHBondContact O-N 2.87Å; Y80-R84 PolarHBondContact OH-NE 3.18Å; Y80-R84 PolarHBondContact OH-NH2 2.93Å
81	T	56.4	Low	53.1	Low	45 Å²	45	90 Å²	90	28%	0.276	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-40.4	175.7	54.2	0	0	0	0	111.4	A55 V77 A78 R84 L85	A55-T81 HydrophobicContact CB-CG2 4.17Å; V77-T81 HydrophobicContact CG1-CG2 4.41Å; V77-T81 WeakPolarHBondContact O-CB 3.33Å; V77-T81 WeakPolarHBondContact O-CG2 3.45Å; V77-T81 PolarHBondContact O-N 3.47Å; V77-T81 PolarHBondContact O-OG1 3.29Å; A78-T81 VanDerWaalsContact CA-OG1 3.31Å; A78-T81 WeakPolarHBondContact CA-OG1 3.41Å; A78-T81 PolarHBondContact O-N 2.76Å; A78-T81 PolarHBondContact O-OG1 2.95Å; T81-R84 PolarHBondContact O-N 3.35Å; T81-L85 VanDerWaalsContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CB 3.31Å; T81-L85 WeakPolarHBondContact O-CD1 3.43Å; T81-L85 VanDerWaalsContact O-CG 3.23Å; T81-L85 WeakPolarHBondContact O-CG 3.4Å; T81-L85 PolarHBondContact O-N 3.35Å
82	I	57.8	Low	53.1	Low	101 Å²	101	87.2 Å²	87.2	52%	0.518	46%	0.464	S	S	.	.	H	α-helix	trans	-63.1	-44.4	173.2	-69.3	165.4	0	0	0	110.6	A78 R84 L85 C86	A78-I82 VanDerWaalsContact O-CB 3.26Å; A78-I82 WeakPolarHBondContact O-CB 3.41Å; A78-I82 WeakPolarHBondContact O-CD1 3.44Å; A78-I82 WeakPolarHBondContact O-CG1 3.46Å; A78-I82 PolarHBondContact O-N 3.47Å; I82-R84 VanDerWaalsContact C-N 3.33Å; I82-R84 PolarHBondContact O-N 2.99Å; I82-L85 PolarHBondContact O-N 3.43Å; I82-C86 WeakPolarHBondContact O-CB 3.36Å; I82-C86 PolarHBondContact O-N 3.4Å; I82-C86 PolarHBondContact O-SG 3.44Å
83	Q	55.9	Low	52.9	Low	119 Å²	119	86.1 Å²	86.1	56%	0.556	46%	0.462	S	S	*	.	H	α-helix	trans	-64.8	-38.4	178.2	-165.7	-179.4	10.7	0	0	111.4	A79 Y80 K87	A79-Q83 VanDerWaalsContact O-CB 3.22Å; A79-Q83 WeakPolarHBondContact O-CB 3.38Å; A79-Q83 PolarHBondContact O-N 3.44Å; Y80-Q83 PolarHBondContact O-N 2.97Å; Q83-K87 WeakPolarHBondContact O-CB 3.33Å; Q83-K87 WeakPolarHBondContact O-CG 3.46Å; Q83-K87 PolarHBondContact O-N 2.91Å
84	R	56.9	Low	52.6	Low	112 Å²	112	85.6 Å²	85.6	42%	0.423	46%	0.458	S	S	.	.	H	α-helix	trans	-70.1	-38.6	172.8	-81.7	-157.9	177.5	-145.8	6.5	112.7	Y80 T81 I82 K87 C88	Y80-R84 HydrophobicContact CD1-CG 4.42Å; Y80-R84 HydrophobicContact CE1-CG 4.07Å; Y80-R84 VanDerWaalsContact CZ-NE 3.33Å; Y80-R84 WeakPolarHBondContact O-CB 3.34Å; Y80-R84 PolarHBondContact O-N 2.87Å; Y80-R84 PolarHBondContact OH-NE 3.18Å; Y80-R84 PolarHBondContact OH-NH2 2.93Å; T81-R84 PolarHBondContact O-N 3.35Å; I82-R84 VanDerWaalsContact C-N 3.33Å; I82-R84 PolarHBondContact O-N 2.99Å; R84-K87 CarbonylContact O-C 3.52Å; R84-K87 PolarHBondContact O-N 2.75Å; R84-C88 WeakPolarHBondContact O-CB 3.29Å; R84-C88 PolarHBondContact O-N 3.38Å; R84-C88 PolarHBondContact O-SG 2.96Å
85	L	55.3	Low	52.2	Low	82 Å²	82	84.1 Å²	84.1	43%	0.429	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-41.7	174.2	-79.5	163.1	0	0	0	111.1	T81 I82 C88 R89	T81-L85 VanDerWaalsContact O-CB 3.27Å; T81-L85 WeakPolarHBondContact O-CB 3.31Å; T81-L85 WeakPolarHBondContact O-CD1 3.43Å; T81-L85 VanDerWaalsContact O-CG 3.23Å; T81-L85 WeakPolarHBondContact O-CG 3.4Å; T81-L85 PolarHBondContact O-N 3.35Å; I82-L85 PolarHBondContact O-N 3.43Å; L85-C88 PolarHBondContact O-N 2.84Å; L85-R89 WeakPolarHBondContact O-CB 3.26Å; L85-R89 PolarHBondContact O-N 3.38Å
86	C	51.9	Low	52.1	Low	79 Å²	79	86.8 Å²	86.8	53%	0.534	44%	0.443	S	S	.	.	H	α-helix	trans	-64.8	-42.9	173.4	-78.6	0	0	0	0	111.7	I82 R89 H90	I82-C86 WeakPolarHBondContact O-CB 3.36Å; I82-C86 PolarHBondContact O-N 3.4Å; I82-C86 PolarHBondContact O-SG 3.44Å; C86-R89 PolarHBondContact O-N 3.02Å; C86-H90 WeakPolarHBondContact O-CB 3.42Å; C86-H90 PolarHBondContact O-N 3.38Å
87	K	50	Low	51.6	Low	129 Å²	129	89.7 Å²	89.7	56%	0.561	45%	0.451	S	S	*	.	H	α-helix	trans	-62.4	-42.9	171.9	-82.1	-174.7	177.1	-177.2	0	111.5	Q83 R84 R89 H90 I91	Q83-K87 WeakPolarHBondContact O-CB 3.33Å; Q83-K87 WeakPolarHBondContact O-CG 3.46Å; Q83-K87 PolarHBondContact O-N 2.91Å; R84-K87 CarbonylContact O-C 3.52Å; R84-K87 PolarHBondContact O-N 2.75Å; K87-R89 VanDerWaalsContact C-N 3.35Å; K87-R89 PolarHBondContact O-N 3.24Å; K87-H90 CarbonylContact O-C 3.49Å; K87-H90 PolarHBondContact O-N 3.01Å; K87-H90 VanDerWaalsContact O-N 3.16Å; K87-I91 HydrophobicContact CB-CD1 4.43Å; K87-I91 WeakPolarHBondContact O-CB 3.36Å; K87-I91 WeakPolarHBondContact O-CD1 3.25Å; K87-I91 WeakPolarHBondContact O-CG1 3.49Å; K87-I91 PolarHBondContact O-N 2.9Å
88	C	49.1	Very low	51	Low	40 Å²	40	91.7 Å²	91.7	27%	0.27	46%	0.46	S	S	.	.	H	α-helix	trans	-67.3	-34.1	178	-81.2	0	0	0	0	112.4	Q51 R84 L85 H90 I91 L92	Q51-C88 PolarHBondContact NE2-SG 3.2Å; R84-C88 WeakPolarHBondContact O-CB 3.29Å; R84-C88 PolarHBondContact O-N 3.38Å; R84-C88 PolarHBondContact O-SG 2.96Å; L85-C88 PolarHBondContact O-N 2.84Å; C88-H90 VanDerWaalsContact C-N 3.33Å; C88-I91 CarbonylContact O-C 3.59Å; C88-I91 PolarHBondContact O-N 3.34Å; C88-L92 VanDerWaalsContact O-CB 3.24Å; C88-L92 WeakPolarHBondContact O-CB 3.45Å; C88-L92 PolarHBondContact O-N 2.84Å
89	R	51.5	Low	50.5	Low	204 Å²	204	93.9 Å²	93.9	77%	0.77	47%	0.472	S	S	*	.	H	α-helix	trans	-65.8	-38.3	171	-169.3	176.4	177	-177.4	-1.2	111.6	L85 C86 K87 L92 S93	L85-R89 WeakPolarHBondContact O-CB 3.26Å; L85-R89 PolarHBondContact O-N 3.38Å; C86-R89 PolarHBondContact O-N 3.02Å; K87-R89 VanDerWaalsContact C-N 3.35Å; K87-R89 PolarHBondContact O-N 3.24Å; R89-L92 PolarHBondContact O-N 3.48Å; R89-S93 PolarHBondContact O-N 3.01Å
90	H	50.9	Low	50.2	Low	137 Å²	137	101 Å²	101	63%	0.634	49%	0.493	S	S	*	.	H	α-helix	trans	-74.1	-30.3	175.9	-149.3	-71	0	0	0	112.9	C86 K87 C88 S93 S94	C86-H90 WeakPolarHBondContact O-CB 3.42Å; C86-H90 PolarHBondContact O-N 3.38Å; K87-H90 CarbonylContact O-C 3.49Å; K87-H90 PolarHBondContact O-N 3.01Å; K87-H90 VanDerWaalsContact O-N 3.16Å; C88-H90 VanDerWaalsContact C-N 3.33Å; H90-S93 PolarHBondContact O-OG 3.02Å; H90-S94 WeakPolarHBondContact O-CB 3.36Å; H90-S94 PolarHBondContact O-N 3.41Å; H90-S94 PolarHBondContact O-OG 2.99Å
91	I	49.4	Very low	49.6	Very low	71 Å²	71	98.9 Å²	98.9	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-75.6	-35.2	172.7	-69	161.9	0	0	0	109.8	K87 C88 S94 L95	K87-I91 HydrophobicContact CB-CD1 4.43Å; K87-I91 WeakPolarHBondContact O-CB 3.36Å; K87-I91 WeakPolarHBondContact O-CD1 3.25Å; K87-I91 WeakPolarHBondContact O-CG1 3.49Å; K87-I91 PolarHBondContact O-N 2.9Å; C88-I91 CarbonylContact O-C 3.59Å; C88-I91 PolarHBondContact O-N 3.34Å; I91-S94 WeakPolarHBondContact CA-OG 3.38Å; I91-S94 PolarHBondContact O-N 3.35Å; I91-S94 PolarHBondContact O-OG 3.49Å; I91-S94 VanDerWaalsContact O-OG 3.04Å; I91-L95 HydrophobicContact CG2-CD1 3.57Å; I91-L95 HydrophobicContact CG2-CG 3.95Å; I91-L95 WeakPolarHBondContact O-CA 3.43Å; I91-L95 WeakPolarHBondContact O-CB 3.33Å; I91-L95 WeakPolarHBondContact O-CG 3.34Å; I91-L95 PolarHBondContact O-N 3.35Å
92	L	46.8	Very low	48.8	Very low	59 Å²	59	103.3 Å²	103.3	31%	0.309	52%	0.52	S	S	.	.	H	α-helix	trans	-68.8	-38.9	175.2	-161.2	76.3	0	0	0	110.6	F43 C88 R89 Q96	F43-L92 HydrophobicContact CD1-CD1 4.26Å; F43-L92 HydrophobicContact CE1-CD1 4.04Å; C88-L92 VanDerWaalsContact O-CB 3.24Å; C88-L92 WeakPolarHBondContact O-CB 3.45Å; C88-L92 PolarHBondContact O-N 2.84Å; R89-L92 PolarHBondContact O-N 3.48Å; L92-Q96 VanDerWaalsContact O-CB 3.31Å; L92-Q96 WeakPolarHBondContact O-CB 3.41Å; L92-Q96 PolarHBondContact O-N 3.03Å
93	S	50.7	Low	48	Very low	52 Å²	52	105.9 Å²	105.9	36%	0.364	54%	0.535	S	S	.	.	H	α-helix	trans	-70.5	-30.5	173.7	75.4	0	0	0	0	112.9	R89 H90 K97	R89-S93 PolarHBondContact O-N 3.01Å; H90-S93 PolarHBondContact O-OG 3.02Å; S93-K97 PolarHBondContact O-N 2.83Å
94	S	47.6	Very low	47.8	Very low	43 Å²	43	103.2 Å²	103.2	30%	0.301	54%	0.539	S	S	.	.	H	α-helix	trans	-80.2	-34.9	173.5	73.1	0	0	0	0	112.8	H90 I91 Q96 K97 N98	H90-S94 WeakPolarHBondContact O-CB 3.36Å; H90-S94 PolarHBondContact O-N 3.41Å; H90-S94 PolarHBondContact O-OG 2.99Å; I91-S94 WeakPolarHBondContact CA-OG 3.38Å; I91-S94 PolarHBondContact O-N 3.35Å; I91-S94 PolarHBondContact O-OG 3.49Å; I91-S94 VanDerWaalsContact O-OG 3.04Å; S94-Q96 VanDerWaalsContact C-N 3.32Å; S94-K97 CarbonylContact O-C 3.58Å; S94-K97 WeakPolarHBondContact O-CA 3.49Å; S94-K97 WeakPolarHBondContact O-CB 3.38Å; S94-K97 PolarHBondContact O-N 3.34Å; S94-K97 VanDerWaalsContact O-N 3.08Å; S94-N98 VanDerWaalsContact O-CB 3.29Å; S94-N98 WeakPolarHBondContact O-CB 3.33Å; S94-N98 PolarHBondContact O-N 3.22Å
95	L	45.6	Very low	47.6	Very low	53 Å²	53	102.3 Å²	102.3	28%	0.277	55%	0.548	S	S	.	.	H	α-helix	trans	-66.9	-33.4	170	-76.8	168.4	0	0	0	110.5	I91 K97 N98 C99	I91-L95 HydrophobicContact CG2-CD1 3.57Å; I91-L95 HydrophobicContact CG2-CG 3.95Å; I91-L95 WeakPolarHBondContact O-CA 3.43Å; I91-L95 WeakPolarHBondContact O-CB 3.33Å; I91-L95 WeakPolarHBondContact O-CG 3.34Å; I91-L95 PolarHBondContact O-N 3.35Å; L95-K97 PolarHBondContact O-N 3.24Å; L95-N98 PolarHBondContact O-N 2.93Å; L95-C99 WeakPolarHBondContact O-CA 3.5Å; L95-C99 WeakPolarHBondContact O-CB 3.42Å; L95-C99 PolarHBondContact O-N 2.8Å
96	Q	46.6	Very low	47.4	Very low	131 Å²	131	104.7 Å²	104.7	61%	0.612	56%	0.556	S	S	*	*	H	α-helix	trans	-61.9	-31.9	170.1	-169.7	-178.7	-11.2	0	0	111.8	L92 S94	L92-Q96 VanDerWaalsContact O-CB 3.31Å; L92-Q96 WeakPolarHBondContact O-CB 3.41Å; L92-Q96 PolarHBondContact O-N 3.03Å; S94-Q96 VanDerWaalsContact C-N 3.32Å
97	K	46	Very low	47.3	Very low	169 Å²	169	107 Å²	107	74%	0.735	56%	0.562	S	S	*	*	H	α-helix	trans	-82.3	-30	173.7	-69.4	-179.2	177.9	-177.4	0	113.4	S93 S94 L95	S93-K97 PolarHBondContact O-N 2.83Å; S94-K97 CarbonylContact O-C 3.58Å; S94-K97 WeakPolarHBondContact O-CA 3.49Å; S94-K97 WeakPolarHBondContact O-CB 3.38Å; S94-K97 PolarHBondContact O-N 3.34Å; S94-K97 VanDerWaalsContact O-N 3.08Å; L95-K97 PolarHBondContact O-N 3.24Å
98	N	42.4	Very low	47.2	Very low	95 Å²	95	103.8 Å²	103.8	51%	0.508	56%	0.556	S	S	.	*	H	α-helix	trans	-104.7	-19.9	-172	-72	-11.2	0	0	0	115.2	S94 L95 F100 A101 N102	S94-N98 VanDerWaalsContact O-CB 3.29Å; S94-N98 WeakPolarHBondContact O-CB 3.33Å; S94-N98 PolarHBondContact O-N 3.22Å; L95-N98 PolarHBondContact O-N 2.93Å; N98-F100 PolarHBondContact O-N 2.83Å; N98-A101 WeakPolarHBondContact O-CA 3.34Å; N98-A101 PolarHBondContact O-N 3.43Å; N98-N102 PolarHBondContact O-N 2.95Å
99	C	41.3	Very low	47.3	Very low	85 Å²	85	108.6 Å²	108.6	57%	0.574	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-11.7	173.8	-84.1	0	0	0	0	112.8	L95 A101	L95-C99 WeakPolarHBondContact O-CA 3.5Å; L95-C99 WeakPolarHBondContact O-CB 3.42Å; L95-C99 PolarHBondContact O-N 2.8Å; C99-A101 VanDerWaalsContact C-N 3.32Å
100	F	46.7	Very low	47.2	Very low	205 Å²	205	103.5 Å²	103.5	90%	0.899	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-10.2	163.7	-105.5	-82.4	0	0	0	113.1	N98	N98-F100 PolarHBondContact O-N 2.83Å
101	A	42.7	Very low	47.4	Very low	65 Å²	65	101.5 Å²	101.5	54%	0.537	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.7	-26.3	-166.5	0	0	0	0	0	115.8	N98 C99	N98-A101 WeakPolarHBondContact O-CA 3.34Å; N98-A101 PolarHBondContact O-N 3.43Å; C99-A101 VanDerWaalsContact C-N 3.32Å
102	N	40.8	Very low	47.6	Very low	139 Å²	139	103 Å²	103	74%	0.743	56%	0.564	S	S	*	*			trans	-159	105.7	179	-93.1	-43.1	0	0	0	113.7	N98	N98-N102 PolarHBondContact O-N 2.95Å
103	N	40	Very low	48	Very low	155 Å²	155	105.3 Å²	105.3	83%	0.829	58%	0.576	S	S	*	*			trans	-67.5	138.1	161.3	-70.4	-29.4	0	0	0	109.6
104	G	51.9	Low	48.1	Very low	62 Å²	62	106.2 Å²	106.2	64%	0.639	57%	0.574	S	S	*	*	S	Bend	trans	152.3	-63	153.5	0	0	0	0	0	117.8
105	P	51.9	Low	48.5	Very low	94 Å²	94	112.2 Å²	112.2	61%	0.61	59%	0.59	S	S	*	*	S	Bend	trans	-100.6	-15.2	-155.4	23.9	-16.6	0	0	0	117.4	S108	P105-S108 PolarHBondContact O-OG 3.47Å
106	Q	50.8	Low	48.8	Very low	131 Å²	131	113.8 Å²	113.8	61%	0.612	60%	0.599	S	S	*	*	H	α-helix	trans	-88.3	-16.1	-173.4	-73.2	-172	-0.9	0	0	115.1
107	I	50.2	Low	49	Very low	128 Å²	128	108.6 Å²	108.6	66%	0.656	58%	0.577	S	S	*	*	H	α-helix	trans	-79.7	-30	-179.5	-63.3	169.2	0	0	0	111.3	L110 L111	I107-L110 PolarHBondContact O-N 2.91Å; I107-L111 HydrophobicContact CG2-CD1 3.93Å; I107-L111 HydrophobicContact CG2-CG 4.45Å; I107-L111 PolarHBondContact O-N 2.93Å
108	S	48.2	Very low	49.3	Very low	62 Å²	62	103.6 Å²	103.6	43%	0.434	57%	0.567	S	S	.	*	H	α-helix	trans	-67.2	-38.2	-177.9	36	0	0	0	0	113.8	P105 L111 L112	P105-S108 PolarHBondContact O-OG 3.47Å; S108-L111 PolarHBondContact O-N 3.41Å; S108-L112 PolarHBondContact O-N 2.9Å
109	E	51.9	Low	50	Low	140 Å²	140	105.7 Å²	105.7	65%	0.654	57%	0.572	S	S	*	*	H	α-helix	trans	-69.5	-34.7	178	-72.3	-173.9	152.5	0	0	112.1	L112 L113	E109-L112 PolarHBondContact O-N 2.89Å; E109-L113 PolarHBondContact O-N 3.42Å
110	L	49.4	Very low	50.4	Low	97 Å²	97	106.2 Å²	106.2	51%	0.508	57%	0.569	S	S	.	*	H	α-helix	trans	-69.2	-37	177.8	-141.3	91.3	0	0	0	111.9	I107 E114	I107-L110 PolarHBondContact O-N 2.91Å; L110-E114 PolarHBondContact O-N 2.74Å; L110-E114 VanDerWaalsContact O-N 3.14Å
111	L	53.6	Low	50.3	Low	96 Å²	96	102 Å²	102	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-69.2	-34.3	177.4	-78.3	167.9	0	0	0	112.9	I107 S108 E114 R115	I107-L111 HydrophobicContact CG2-CD1 3.93Å; I107-L111 HydrophobicContact CG2-CG 4.45Å; I107-L111 PolarHBondContact O-N 2.93Å; S108-L111 PolarHBondContact O-N 3.41Å; L111-E114 PolarHBondContact O-N 2.94Å; L111-R115 PolarHBondContact O-N 3.45Å; L111-R115 VanDerWaalsContact O-N 3.13Å
112	L	54.4	Low	50.5	Low	101 Å²	101	106.2 Å²	106.2	53%	0.529	58%	0.579	S	S	.	*	H	α-helix	trans	-64.7	-45.7	174.9	-83.7	161.8	0	0	0	111.4	S108 E109 E114 R115 D116	S108-L112 PolarHBondContact O-N 2.9Å; E109-L112 PolarHBondContact O-N 2.89Å; L112-E114 PolarHBondContact O-N 3.35Å; L112-R115 PolarHBondContact O-N 3.34Å; L112-D116 PolarHBondContact O-N 3.01Å; L112-D116 VanDerWaalsContact O-N 3.09Å
113	L	54.8	Low	51	Low	108 Å²	108	104.6 Å²	104.6	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-61.8	-38.6	175.4	-90.3	155.4	0	0	0	113	E109 R115 D116 C117	E109-L113 PolarHBondContact O-N 3.42Å; L113-R115 VanDerWaalsContact C-N 3.35Å; L113-D116 PolarHBondContact O-N 3.46Å; L113-C117 PolarHBondContact O-N 3.11Å; L113-C117 VanDerWaalsContact O-N 3.09Å
114	E	53.1	Low	51.5	Low	72 Å²	72	101.9 Å²	101.9	34%	0.336	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-42.6	174.8	-121.4	-179	167.6	0	0	111.6	K50 L110 L111 L112 C117 A118	K50-E114 WeakPolarHBondContact CE-OE1 3.5Å; K50-E114 IonicContact NZ-OE1 2.78Å; K50-E114 PolarHBondContact NZ-OE1 3.06Å; K50-E114 IonicContact NZ-OE2 2.89Å; K50-E114 PolarHBondContact NZ-OE2 2.95Å; L110-E114 PolarHBondContact O-N 2.74Å; L110-E114 VanDerWaalsContact O-N 3.14Å; L111-E114 PolarHBondContact O-N 2.94Å; L112-E114 PolarHBondContact O-N 3.35Å; E114-C117 PolarHBondContact O-N 3.05Å; E114-A118 WeakPolarHBondContact O-CB 3.45Å; E114-A118 PolarHBondContact O-N 2.92Å
115	R	55.9	Low	51.5	Low	169 Å²	169	104.1 Å²	104.1	64%	0.638	55%	0.553	S	S	*	*	H	α-helix	trans	-66.8	-37.2	-179.1	-164.6	-177.2	-96.7	164.2	-7.4	111.9	L111 L112 L113 K119	L111-R115 PolarHBondContact O-N 3.45Å; L111-R115 VanDerWaalsContact O-N 3.13Å; L112-R115 PolarHBondContact O-N 3.34Å; L113-R115 VanDerWaalsContact C-N 3.35Å; R115-K119 WeakPolarHBondContact O-CG 3.44Å; R115-K119 PolarHBondContact O-N 2.98Å
116	D	53.3	Low	51.5	Low	85 Å²	85	104.7 Å²	104.7	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-76.3	-31.8	178.7	-69.4	-23.5	0	0	0	113	L112 L113 N120	L112-D116 PolarHBondContact O-N 3.01Å; L112-D116 VanDerWaalsContact O-N 3.09Å; L113-D116 PolarHBondContact O-N 3.46Å; D116-N120 PolarHBondContact O-N 2.9Å; D116-N120 PolarHBondContact O-ND2 3.39Å
117	C	49.2	Very low	51.5	Low	22 Å²	22	103.1 Å²	103.1	15%	0.149	55%	0.545	C	S	.	.	H	α-helix	trans	-67.3	-43.9	170.1	-106.6	0	0	0	0	111.6	C57 L113 E114 K119 N120 M121	C57-C117 HydrophobicContact CB-CB 4.26Å; C57-C117 WeakPolarHBondContact CB-SG 3.43Å; C57-C117 WeakPolarHBondContact SG-CB 3.27Å; C57-C117 CovalentContact SG-SG 2.05Å; C57-C117 PolarHBondContact SG-SG 3.45Å; L113-C117 PolarHBondContact O-N 3.11Å; L113-C117 VanDerWaalsContact O-N 3.09Å; E114-C117 PolarHBondContact O-N 3.05Å; C117-K119 VanDerWaalsContact C-N 3.34Å; C117-K119 PolarHBondContact O-N 3.17Å; C117-N120 PolarHBondContact O-N 3.16Å; C117-N120 VanDerWaalsContact O-N 3.14Å; C117-M121 PolarHBondContact O-N 3.41Å
118	A	53.2	Low	51.6	Low	65 Å²	65	101.4 Å²	101.4	54%	0.537	54%	0.538	S	S	.	.	H	α-helix	trans	-61.3	-40.1	-179.8	0	0	0	0	0	112.6	E114 N120 M121	E114-A118 WeakPolarHBondContact O-CB 3.45Å; E114-A118 PolarHBondContact O-N 2.92Å; A118-N120 VanDerWaalsContact C-N 3.28Å; A118-N120 PolarHBondContact O-N 3.37Å; A118-M121 PolarHBondContact O-N 2.88Å
119	K	56	Low	51.9	Low	139 Å²	139	104.2 Å²	104.2	60%	0.604	55%	0.545	S	S	*	.	H	α-helix	trans	-65.7	-26.9	176	-79.1	-177.7	177.2	-178.4	0	114.2	R115 C117 S122	R115-K119 WeakPolarHBondContact O-CG 3.44Å; R115-K119 PolarHBondContact O-N 2.98Å; C117-K119 VanDerWaalsContact C-N 3.34Å; C117-K119 PolarHBondContact O-N 3.17Å; K119-S122 PolarHBondContact O-OG 3.22Å
120	N	50.1	Low	51.9	Low	96 Å²	96	101.5 Å²	101.5	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-90.5	-5.6	-178.2	-74.9	-42.7	0	0	0	113.4	Q61 D116 C117 A118	Q61-N120 PolarHBondContact NE2-ND2 3.45Å; D116-N120 PolarHBondContact O-N 2.9Å; D116-N120 PolarHBondContact O-ND2 3.39Å; C117-N120 PolarHBondContact O-N 3.16Å; C117-N120 VanDerWaalsContact O-N 3.14Å; A118-N120 VanDerWaalsContact C-N 3.28Å; A118-N120 PolarHBondContact O-N 3.37Å
121	M	45.9	Very low	52.1	Low	115 Å²	115	101.8 Å²	101.8	57%	0.567	54%	0.539	S	S	*	.	H	α-helix	trans	-103	-11.2	178.1	-80	-177.4	158.1	0	0	114.3	C57 C117 A118	C57-M121 HydrophobicContact CB-CE 3.8Å; C117-M121 PolarHBondContact O-N 3.41Å; A118-M121 PolarHBondContact O-N 2.88Å
122	S	45.6	Very low	52	Low	154 Å²	154	102.4 Å²	102.4	100%	1.077	54%	0.543	S	S	*	.			trans	-87.9	0	169	65.7	0	0	0	0	111.4	K119	K119-S122 PolarHBondContact O-OG 3.22Å

Retrieved 122 of 122 residues in 56.6 ms (Link to these results)

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