A0A077ZF83_TRITR Loading...

DUF413 domain containing protein

AlphaFold DB (Q329U4), UniProt , Accession A0A077ZF83, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 112 aa.

						>A0A077ZF83_TRITR|A0A077ZF83
MAESFTTTNRYFDNKHYPRGFSRHGDFTIKEAQLLERHGYAFNELDLGKREPVTEEEKLFVAVCRGEREPVTEAERVWSKYMTRIKRPKRFHTLSGGKPQVEGAEDYTDSDD
					

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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	46.4	Very low	77.4	Confident	236 Å²	236	92.2 Å²	92.2	100%	1.163	49%	0.489	S	S	*	.				0	128	0	-75.8	162.2	173.5	0	0	106.2	E3	M1-E3 PolarHBondContact O-N 3.35Å
2	A	52.1	Low	78.6	Confident	81 Å²	81	92.7 Å²	92.7	67%	0.669	48%	0.484	S	S	*	.			trans	-61.9	122.7	172.7	0	0	0	0	0	107.1	S4	A2-S4 VanDerWaalsContact C-N 3.25Å; A2-S4 PolarHBondContact O-N 3.06Å
3	E	65.2	Low	79.6	Confident	128 Å²	128	86.7 Å²	86.7	60%	0.598	45%	0.453	S	S	*	.			trans	-71.6	91.8	170.8	-69	-178.6	94.6	0	0	106.9	M1 T6 R37	M1-E3 PolarHBondContact O-N 3.35Å; E3-T6 WeakPolarHBondContact CB-OG1 3.1Å; E3-T6 PolarHBondContact O-OG1 3.49Å; E3-R37 IonicContact OE1-NH2 3.54Å; E3-R37 PolarHBondContact OE1-NH2 3.01Å
4	S	77.6	Confident	80.3	Confident	15 Å²	15	88.8 Å²	88.8	11%	0.105	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	148	168.2	-62.1	0	0	0	0	108.8	A2 T6 T54 E56	A2-S4 VanDerWaalsContact C-N 3.25Å; A2-S4 PolarHBondContact O-N 3.06Å; S4-T6 VanDerWaalsContact C-N 3.27Å; S4-T6 PolarHBondContact O-N 2.91Å; S4-T54 PolarHBondContact OG-OG1 2.98Å; S4-E56 WeakPolarHBondContact CB-OE2 3.09Å; S4-E56 PolarHBondContact OG-OE2 3.15Å
5	F	84	Confident	80.9	Confident	13 Å²	13	94.2 Å²	94.2	6%	0.057	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	23.3	177.6	-43.5	-80.4	0	0	0	115.6	T7 H38 A41 F42 L45 E56 E57 F60 A74	F5-T7 PolarHBondContact O-N 3.21Å; F5-H38 HydrophobicContact CB-CB 3.91Å; F5-H38 PolarHBondContact O-ND1 3.32Å; F5-A41 HydrophobicContact CB-CB 3.91Å; F5-A41 HydrophobicContact CD1-CB 4.41Å; F5-F42 HydrophobicContact CB-CE1 3.99Å; F5-F42 AromaticContact CD1-CD1 3.62Å; F5-F42 HydrophobicContact CD1-CD1 3.62Å; F5-F42 AromaticContact CD1-CE1 3.44Å; F5-F42 HydrophobicContact CD1-CE1 3.44Å; F5-F42 VanDerWaalsContact CD1-CE1 3.44Å; F5-F42 HydrophobicContact CD2-CE1 4.02Å; F5-F42 AromaticContact CE1-CD1 4Å; F5-F42 HydrophobicContact CE1-CD1 4Å; F5-F42 AromaticContact CE1-CE1 3.82Å; F5-F42 HydrophobicContact CE1-CE1 3.82Å; F5-F42 HydrophobicContact CE2-CE1 4.38Å; F5-F42 HydrophobicContact CG-CD1 4.15Å; F5-F42 AromaticContact CG-CE1 3.54Å; F5-F42 HydrophobicContact CG-CE1 3.54Å; F5-F42 HydrophobicContact CZ-CE1 4.28Å; F5-L45 HydrophobicContact CD1-CD1 3.73Å; F5-L45 HydrophobicContact CE1-CD1 3.66Å; F5-E56 HydrophobicContact CE2-CB 4.2Å; F5-E56 HydrophobicContact CZ-CB 4.25Å; F5-E57 HydrophobicContact CD1-CG 3.95Å; F5-E57 HydrophobicContact CE1-CB 4.31Å; F5-E57 HydrophobicContact CE1-CG 3.64Å; F5-E57 HydrophobicContact CZ-CG 4.06Å; F5-F60 HydrophobicContact CE1-CB 4.01Å; F5-F60 HydrophobicContact CE1-CD1 4.32Å; F5-F60 HydrophobicContact CE1-CD2 4.23Å; F5-F60 AromaticContact CE1-CG 3.93Å; F5-F60 HydrophobicContact CE1-CG 3.93Å; F5-F60 HydrophobicContact CZ-CB 4.02Å; F5-F60 HydrophobicContact CZ-CD2 4.38Å; F5-F60 HydrophobicContact CZ-CG 4.27Å; F5-A74 HydrophobicContact CE2-CB 4.38Å
6	T	83.9	Confident	81.4	Confident	69 Å²	69	91.9 Å²	91.9	42%	0.423	47%	0.47	S	S	.	.			trans	-58.7	130.8	174.9	-60.5	0	0	0	0	111.3	E3 S4 R50	E3-T6 WeakPolarHBondContact CB-OG1 3.1Å; E3-T6 PolarHBondContact O-OG1 3.49Å; S4-T6 VanDerWaalsContact C-N 3.27Å; S4-T6 PolarHBondContact O-N 2.91Å; T6-R50 PolarHBondContact O-NH1 2.72Å; T6-R50 VanDerWaalsContact O-NH1 3.07Å
7	T	85.7	Confident	82	Confident	33 Å²	33	87 Å²	87	20%	0.202	44%	0.444	C	S	.	.			trans	-127.8	152.7	174	65.8	0	0	0	0	109.7	F5 N9 R37 A41	F5-T7 PolarHBondContact O-N 3.21Å; T7-N9 PolarHBondContact OG1-O 3.44Å; T7-R37 PolarHBondContact OG1-O 3.38Å; T7-A41 HydrophobicContact CG2-CB 3.55Å
8	T	84.5	Confident	82.5	Confident	138 Å²	138	87.4 Å²	87.4	85%	0.847	45%	0.453	S	S	*	.	S	Bend	trans	-77.5	-33	177.1	-47.2	0	0	0	0	112.1
9	N	88.9	Confident	82.9	Confident	109 Å²	109	93.3 Å²	93.3	58%	0.583	47%	0.469	S	S	*	.	S	Bend	trans	-119.4	159.3	-173	-66.7	-55.9	0	0	0	111.2	T7 Y40	T7-N9 PolarHBondContact OG1-O 3.44Å; N9-Y40 HydrophobicContact CB-CD2 4.12Å; N9-Y40 HydrophobicContact CB-CE2 3.66Å; N9-Y40 WeakPolarHBondContact O-CD2 3.18Å
10	R	90	Very high	83.3	Confident	171 Å²	171	89.4 Å²	89.4	65%	0.645	45%	0.453	S	S	*	.			trans	-81.5	133.1	172.3	-69.7	-176.2	-175	173.4	2.6	111.4	F12 E36 Y40	R10-F12 HydrophobicContact CB-CD2 4.33Å; R10-F12 HydrophobicContact CB-CE2 3.75Å; R10-F12 WeakPolarHBondContact O-CD2 3.44Å; R10-E36 CarbonylContact C-O 3.22Å; R10-E36 WeakPolarHBondContact CA-O 3.44Å; R10-E36 WeakPolarHBondContact CB-O 3.2Å; R10-Y40 VanDerWaalsContact C-CE2 3.43Å; R10-Y40 WeakPolarHBondContact O-CE2 3.5Å
11	Y	93.4	Very high	83.7	Confident	21 Å²	21	85.2 Å²	85.2	8%	0.082	43%	0.432	C	S	.	.			trans	-74.3	133.4	178.2	-175.5	-108.2	0	0	0	111.4	D13 F21 L35 E36 Y40 N43 W78 Y81	Y11-D13 HydrophobicContact CE1-CB 4.31Å; Y11-F21 AromaticContact CD1-CE2 3.96Å; Y11-F21 HydrophobicContact CD1-CE2 3.96Å; Y11-F21 AromaticContact CD1-CZ 3.73Å; Y11-F21 HydrophobicContact CD1-CZ 3.73Å; Y11-F21 HydrophobicContact CE1-CE2 4.46Å; Y11-F21 AromaticContact CE1-CZ 3.77Å; Y11-F21 HydrophobicContact CE1-CZ 3.77Å; Y11-L35 WeakPolarHBondContact CB-O 3.49Å; Y11-E36 PolarHBondContact N-O 3.03Å; Y11-Y40 AromaticContact CD2-CD1 3.88Å; Y11-Y40 HydrophobicContact CD2-CD1 3.88Å; Y11-Y40 HydrophobicContact CD2-CD2 4.38Å; Y11-Y40 HydrophobicContact CD2-CE1 4.07Å; Y11-Y40 HydrophobicContact CD2-CG 4.03Å; Y11-N43 HydrophobicContact CE2-CB 4.18Å; Y11-W78 HydrophobicContact CE1-CZ3 4.41Å; Y11-Y81 HydrophobicContact CE1-CE1 4.18Å; Y11-Y81 AromaticContact CE1-CZ 3.95Å; Y11-Y81 PolarHBondContact OH-OH 3.17Å
12	F	91.6	Very high	85.7	Confident	98 Å²	98	76.7 Å²	76.7	43%	0.43	40%	0.396	S	S	.	.			trans	-136.1	130.1	176.1	-76.6	-81.7	0	0	0	110.4	R10	R10-F12 HydrophobicContact CB-CD2 4.33Å; R10-F12 HydrophobicContact CB-CE2 3.75Å; R10-F12 WeakPolarHBondContact O-CD2 3.44Å
13	D	91.1	Very high	87.4	Confident	15 Å²	15	82.2 Å²	82.2	8%	0.08	40%	0.399	C	S	.	.			trans	-112.1	85.4	173.3	-179.3	-2.3	0	0	0	110.2	Y11 K15 H16 Y17 F21 Y81	Y11-D13 HydrophobicContact CE1-CB 4.31Å; D13-K15 PolarHBondContact O-N 2.94Å; D13-K15 WeakPolarHBondContact OD1-CB 3.42Å; D13-K15 PolarHBondContact OD1-N 3.09Å; D13-K15 VanDerWaalsContact OD1-N 3.09Å; D13-H16 VanDerWaalsContact CG-ND1 3.3Å; D13-H16 IonicContact OD1-CG 3.53Å; D13-H16 PolarHBondContact OD1-N 3.07Å; D13-H16 VanDerWaalsContact OD1-N 3.11Å; D13-H16 IonicContact OD1-ND1 3.8Å; D13-H16 PolarHBondContact OD1-ND1 3.47Å; D13-H16 VanDerWaalsContact OD1-ND1 3.13Å; D13-H16 IonicContact OD2-CE1 3.22Å; D13-H16 IonicContact OD2-CG 3.28Å; D13-H16 IonicContact OD2-ND1 2.87Å; D13-H16 PolarHBondContact OD2-ND1 3.28Å; D13-Y17 HydrophobicContact CB-CD2 4.39Å; D13-Y17 CarbonylContact O-C 3.56Å; D13-Y17 VanDerWaalsContact O-CA 3.24Å; D13-Y17 WeakPolarHBondContact O-CA 3.23Å; D13-Y17 WeakPolarHBondContact O-CB 3.34Å; D13-Y17 PolarHBondContact O-N 2.93Å; D13-F21 HydrophobicContact CB-CE1 4.18Å; D13-F21 HydrophobicContact CB-CZ 3.88Å; D13-Y81 HydrophobicContact CB-CE2 4.27Å; D13-Y81 WeakPolarHBondContact CB-OH 3.26Å; D13-Y81 VanDerWaalsContact CG-OH 3.27Å; D13-Y81 WeakPolarHBondContact OD2-CE2 3.32Å; D13-Y81 PolarHBondContact OD2-OH 2.86Å
14	N	89.5	Confident	88.4	Confident	116 Å²	116	81.6 Å²	81.6	62%	0.62	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.3	-179.7	-66.6	-28	0	0	0	113.2	P18	N14-P18 WeakPolarHBondContact O-CA 3.42Å
15	K	89.7	Confident	88.8	Confident	170 Å²	170	84 Å²	84	74%	0.739	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-45.4	-177.6	179.5	178.7	174.7	-178.1	0	111.3	D13	D13-K15 PolarHBondContact O-N 2.94Å; D13-K15 WeakPolarHBondContact OD1-CB 3.42Å; D13-K15 PolarHBondContact OD1-N 3.09Å; D13-K15 VanDerWaalsContact OD1-N 3.09Å
16	H	89.5	Confident	89.1	Confident	58 Å²	58	84.7 Å²	84.7	27%	0.269	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-27.9	-179.2	-48.2	96.9	0	0	0	112.2	D13 P18 I85	D13-H16 VanDerWaalsContact CG-ND1 3.3Å; D13-H16 IonicContact OD1-CG 3.53Å; D13-H16 PolarHBondContact OD1-N 3.07Å; D13-H16 VanDerWaalsContact OD1-N 3.11Å; D13-H16 IonicContact OD1-ND1 3.8Å; D13-H16 PolarHBondContact OD1-ND1 3.47Å; D13-H16 VanDerWaalsContact OD1-ND1 3.13Å; D13-H16 IonicContact OD2-CE1 3.22Å; D13-H16 IonicContact OD2-CG 3.28Å; D13-H16 IonicContact OD2-ND1 2.87Å; D13-H16 PolarHBondContact OD2-ND1 3.28Å; H16-P18 VanDerWaalsContact C-CD 3.48Å; H16-P18 WeakPolarHBondContact O-CD 3.44Å; H16-I85 HydrophobicContact CB-CB 4.44Å; H16-I85 HydrophobicContact CB-CG2 3.71Å
17	Y	91.2	Very high	89.6	Confident	8 Å²	8	81.9 Å²	81.9	3%	0.031	41%	0.41	C	S	.	.			trans	-126.7	65.2	-177.8	-62.9	-81.9	0	0	0	111.3	D13 R19 G20 F21 H24 D26 F27 Y81 R84 I85	D13-Y17 HydrophobicContact CB-CD2 4.39Å; D13-Y17 CarbonylContact O-C 3.56Å; D13-Y17 VanDerWaalsContact O-CA 3.24Å; D13-Y17 WeakPolarHBondContact O-CA 3.23Å; D13-Y17 WeakPolarHBondContact O-CB 3.34Å; D13-Y17 PolarHBondContact O-N 2.93Å; Y17-R19 PolarHBondContact O-N 2.73Å; Y17-G20 PolarHBondContact O-N 3.12Å; Y17-F21 HydrophobicContact CD1-CD1 4.11Å; Y17-F21 AromaticContact CD2-CD1 3.62Å; Y17-F21 HydrophobicContact CD2-CD1 3.62Å; Y17-F21 AromaticContact CD2-CE1 3.42Å; Y17-F21 HydrophobicContact CD2-CE1 3.42Å; Y17-F21 VanDerWaalsContact CD2-CE1 3.42Å; Y17-F21 HydrophobicContact CE1-CD1 4.49Å; Y17-F21 HydrophobicContact CE2-CD1 4.03Å; Y17-F21 AromaticContact CE2-CE1 3.94Å; Y17-F21 HydrophobicContact CE2-CE1 3.94Å; Y17-F21 AromaticContact CG-CD1 3.68Å; Y17-F21 HydrophobicContact CG-CD1 3.68Å; Y17-F21 AromaticContact CG-CE1 3.88Å; Y17-F21 HydrophobicContact CG-CE1 3.88Å; Y17-H24 HydrophobicContact CD1-CB 3.66Å; Y17-H24 AromaticContact CD1-CG 3.88Å; Y17-H24 HydrophobicContact CE1-CB 3.7Å; Y17-H24 AromaticContact CE1-CG 3.76Å; Y17-H24 AromaticContact CE1-ND1 3.94Å; Y17-D26 HydrophobicContact CE1-CB 4.43Å; Y17-D26 WeakPolarHBondContact CE1-OD2 3.35Å; Y17-D26 PolarHBondContact OH-OD2 3.49Å; Y17-F27 HydrophobicContact CE1-CD2 4.38Å; Y17-F27 AromaticContact CE1-CE2 3.88Å; Y17-F27 HydrophobicContact CE1-CE2 3.88Å; Y17-F27 HydrophobicContact CE2-CE2 4.1Å; Y17-F27 AromaticContact CZ-CE2 3.54Å; Y17-F27 WeakPolarHBondContact OH-CE2 3.41Å; Y17-Y81 HydrophobicContact CD2-CE2 4.12Å; Y17-Y81 AromaticContact CE2-CD2 3.91Å; Y17-Y81 HydrophobicContact CE2-CD2 3.91Å; Y17-Y81 AromaticContact CE2-CE2 3.83Å; Y17-Y81 HydrophobicContact CE2-CE2 3.83Å; Y17-R84 WeakPolarHBondContact OH-CB 3.44Å; Y17-I85 HydrophobicContact CE2-CG2 3.98Å
18	P	90.7	Very high	90	Very high	95 Å²	95	84.2 Å²	84.2	62%	0.617	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.8	-177.1	25.9	-36.1	0	0	0	114.1	N14 H16	N14-P18 WeakPolarHBondContact O-CA 3.42Å; H16-P18 VanDerWaalsContact C-CD 3.48Å; H16-P18 WeakPolarHBondContact O-CD 3.44Å
19	R	90.8	Very high	90.4	Very high	199 Å²	199	83.2 Å²	83.2	75%	0.751	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	9.4	175.6	-60.6	-173.1	-178.7	-126.8	1.7	113	Y17 R23	Y17-R19 PolarHBondContact O-N 2.73Å; R19-R23 HydrophobicContact CB-CB 4.22Å; R19-R23 WeakPolarHBondContact O-CD 3.24Å
20	G	90.5	Very high	90.6	Very high	15 Å²	15	85.5 Å²	85.5	16%	0.155	42%	0.417	C	S	.	.			trans	83.5	163.5	-175.1	0	0	0	0	0	114.3	Y17 R23	Y17-G20 PolarHBondContact O-N 3.12Å; G20-R23 PolarHBondContact O-N 3.49Å
21	F	91.1	Very high	90.8	Very high	1 Å²	1	79.1 Å²	79.1	0%	0.004	39%	0.394	C	S	.	.	H	α-helix	trans	-63.6	-42.7	-174.6	-59.1	-69.9	0	0	0	113	Y11 D13 Y17 R23 H24 F27 A32 L35 E36 Y81	Y11-F21 AromaticContact CD1-CE2 3.96Å; Y11-F21 HydrophobicContact CD1-CE2 3.96Å; Y11-F21 AromaticContact CD1-CZ 3.73Å; Y11-F21 HydrophobicContact CD1-CZ 3.73Å; Y11-F21 HydrophobicContact CE1-CE2 4.46Å; Y11-F21 AromaticContact CE1-CZ 3.77Å; Y11-F21 HydrophobicContact CE1-CZ 3.77Å; D13-F21 HydrophobicContact CB-CE1 4.18Å; D13-F21 HydrophobicContact CB-CZ 3.88Å; Y17-F21 HydrophobicContact CD1-CD1 4.11Å; Y17-F21 AromaticContact CD2-CD1 3.62Å; Y17-F21 HydrophobicContact CD2-CD1 3.62Å; Y17-F21 AromaticContact CD2-CE1 3.42Å; Y17-F21 HydrophobicContact CD2-CE1 3.42Å; Y17-F21 VanDerWaalsContact CD2-CE1 3.42Å; Y17-F21 HydrophobicContact CE1-CD1 4.49Å; Y17-F21 HydrophobicContact CE2-CD1 4.03Å; Y17-F21 AromaticContact CE2-CE1 3.94Å; Y17-F21 HydrophobicContact CE2-CE1 3.94Å; Y17-F21 AromaticContact CG-CD1 3.68Å; Y17-F21 HydrophobicContact CG-CD1 3.68Å; Y17-F21 AromaticContact CG-CE1 3.88Å; Y17-F21 HydrophobicContact CG-CE1 3.88Å; F21-R23 PolarHBondContact O-N 3.16Å; F21-H24 PolarHBondContact O-N 3.17Å; F21-F27 HydrophobicContact CB-CD2 4.05Å; F21-F27 HydrophobicContact CD1-CD2 4.13Å; F21-F27 AromaticContact CD1-CE2 3.87Å; F21-F27 HydrophobicContact CD1-CE2 3.87Å; F21-A32 HydrophobicContact CB-CB 3.72Å; F21-L35 HydrophobicContact CD1-CD1 4.05Å; F21-L35 HydrophobicContact CD2-CB 4.16Å; F21-L35 HydrophobicContact CE1-CD1 4.29Å; F21-L35 HydrophobicContact CE2-CB 4.19Å; F21-L35 HydrophobicContact CG-CD1 4.27Å; F21-E36 HydrophobicContact CD2-CG 3.9Å; F21-E36 HydrophobicContact CE2-CG 4.4Å; F21-Y81 AromaticContact CE1-CD2 3.88Å; F21-Y81 HydrophobicContact CE1-CD2 3.88Å; F21-Y81 AromaticContact CE1-CE2 3.69Å; F21-Y81 HydrophobicContact CE1-CE2 3.69Å; F21-Y81 HydrophobicContact CZ-CE2 4.28Å
22	S	88.7	Confident	90.8	Very high	57 Å²	57	78.1 Å²	78.1	40%	0.399	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-20.9	-177	-62.9	0	0	0	0	114.6	A32	S22-A32 WeakPolarHBondContact OG-CB 3.49Å
23	R	87.8	Confident	90.9	Very high	198 Å²	198	79 Å²	79	75%	0.747	40%	0.396	S	S	*	.	H	α-helix	trans	-94.7	-14.8	-175.3	-67.3	-167.2	177	-144.6	3.9	114.3	R19 G20 F21	R19-R23 HydrophobicContact CB-CB 4.22Å; R19-R23 WeakPolarHBondContact O-CD 3.24Å; G20-R23 PolarHBondContact O-N 3.49Å; F21-R23 PolarHBondContact O-N 3.16Å
24	H	85.1	Confident	91	Very high	114 Å²	114	80.3 Å²	80.3	53%	0.528	40%	0.403	S	S	.	.	H	α-helix	trans	-86.8	-15.3	-175.6	-151.4	-91	0	0	0	112.7	Y17 F21 D26	Y17-H24 HydrophobicContact CD1-CB 3.66Å; Y17-H24 AromaticContact CD1-CG 3.88Å; Y17-H24 HydrophobicContact CE1-CB 3.7Å; Y17-H24 AromaticContact CE1-CG 3.76Å; Y17-H24 AromaticContact CE1-ND1 3.94Å; F21-H24 PolarHBondContact O-N 3.17Å; H24-D26 IonicContact CE1-OD2 2.73Å; H24-D26 IonicContact CG-OD2 3.03Å; H24-D26 IonicContact ND1-OD2 3.65Å; H24-D26 PolarHBondContact ND1-OD2 3.03Å; H24-D26 PolarHBondContact O-N 3.41Å
25	G	87.8	Confident	91.2	Very high	66 Å²	66	74.8 Å²	74.8	68%	0.68	37%	0.373	S	S	*	.	S	Bend	trans	74.8	-1.2	-179.9	0	0	0	0	0	114.8	F27	G25-F27 VanDerWaalsContact C-N 3.3Å
26	D	89.1	Confident	91.3	Very high	28 Å²	28	68.4 Å²	68.4	15%	0.15	35%	0.346	C	S	.	.	S	Bend	trans	-67.9	-34.4	173	-74.5	-57	0	0	0	111.8	Y17 H24 K80 R84	Y17-D26 HydrophobicContact CE1-CB 4.43Å; Y17-D26 WeakPolarHBondContact CE1-OD2 3.35Å; Y17-D26 PolarHBondContact OH-OD2 3.49Å; H24-D26 IonicContact CE1-OD2 2.73Å; H24-D26 IonicContact CG-OD2 3.03Å; H24-D26 IonicContact ND1-OD2 3.65Å; H24-D26 PolarHBondContact ND1-OD2 3.03Å; H24-D26 PolarHBondContact O-N 3.41Å; D26-K80 WeakPolarHBondContact O-CE 3.24Å; D26-K80 PolarHBondContact O-NZ 3.45Å; D26-R84 IonicContact OD1-CZ 2.73Å; D26-R84 VanDerWaalsContact OD1-CZ 3.28Å; D26-R84 IonicContact OD1-NE 3.12Å; D26-R84 IonicContact OD1-NH1 2.86Å; D26-R84 PolarHBondContact OD1-NH1 3.13Å
27	F	93.8	Very high	91.4	Very high	10 Å²	10	72.4 Å²	72.4	4%	0.044	36%	0.359	C	S	.	.	S	Bend	trans	-115.7	141.4	-175.9	-56.3	-77.6	0	0	0	110	Y17 F21 G25 E31 A32 L35 V77 K80 Y81	Y17-F27 HydrophobicContact CE1-CD2 4.38Å; Y17-F27 AromaticContact CE1-CE2 3.88Å; Y17-F27 HydrophobicContact CE1-CE2 3.88Å; Y17-F27 HydrophobicContact CE2-CE2 4.1Å; Y17-F27 AromaticContact CZ-CE2 3.54Å; Y17-F27 WeakPolarHBondContact OH-CE2 3.41Å; F21-F27 HydrophobicContact CB-CD2 4.05Å; F21-F27 HydrophobicContact CD1-CD2 4.13Å; F21-F27 AromaticContact CD1-CE2 3.87Å; F21-F27 HydrophobicContact CD1-CE2 3.87Å; G25-F27 VanDerWaalsContact C-N 3.3Å; F27-E31 WeakPolarHBondContact CA-OE2 3.31Å; F27-E31 HydrophobicContact CB-CB 3.95Å; F27-E31 HydrophobicContact CD1-CB 4.22Å; F27-A32 HydrophobicContact CB-CB 4.25Å; F27-L35 HydrophobicContact CD1-CD1 3.91Å; F27-L35 HydrophobicContact CD2-CD1 4.27Å; F27-L35 HydrophobicContact CE1-CD1 3.7Å; F27-L35 HydrophobicContact CE2-CD1 4.07Å; F27-L35 HydrophobicContact CG-CD1 4.19Å; F27-L35 HydrophobicContact CZ-CD1 3.79Å; F27-V77 HydrophobicContact CD1-CG1 4.48Å; F27-K80 HydrophobicContact CD1-CD 4.06Å; F27-K80 HydrophobicContact CD1-CG 4.48Å; F27-K80 HydrophobicContact CE1-CB 4.32Å; F27-K80 HydrophobicContact CE1-CD 3.97Å; F27-K80 HydrophobicContact CE1-CG 3.9Å; F27-Y81 HydrophobicContact CZ-CD2 4.17Å
28	T	94.1	Very high	91.5	Very high	81 Å²	81	73.1 Å²	73.1	50%	0.497	36%	0.362	S	S	.	.			trans	-64.3	162.2	164.5	73.4	0	0	0	0	109.8	K30 E31 A32	T28-K30 PolarHBondContact O-N 3.44Å; T28-E31 PolarHBondContact N-OE2 2.66Å; T28-E31 PolarHBondContact O-N 3.32Å; T28-E31 VanDerWaalsContact O-N 3.15Å; T28-E31 VanDerWaalsContact OG1-CG 3.31Å; T28-E31 WeakPolarHBondContact OG1-CG 3.43Å; T28-E31 PolarHBondContact OG1-N 3.31Å; T28-E31 PolarHBondContact OG1-OE2 3.37Å; T28-A32 WeakPolarHBondContact O-CB 3.41Å; T28-A32 PolarHBondContact O-N 3.5Å
29	I	93.2	Very high	91.6	Very high	117 Å²	117	68.6 Å²	68.6	60%	0.6	33%	0.333	S	S	*	.	H	α-helix	trans	-55.4	-39.2	179.2	-61.4	171.3	0	0	0	111.3	Q33	I29-Q33 VanDerWaalsContact O-CG 3.29Å; I29-Q33 WeakPolarHBondContact O-CG 3.4Å; I29-Q33 PolarHBondContact O-N 3.28Å
30	K	93.3	Very high	91.8	Very high	158 Å²	158	63.4 Å²	63.4	69%	0.687	31%	0.314	S	S	*	.	H	α-helix	trans	-67	-46.9	178.4	-68.7	-175.7	177.8	-177.9	0	112.1	T28 A32 Q33 L34	T28-K30 PolarHBondContact O-N 3.44Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-A32 PolarHBondContact O-N 2.94Å; K30-Q33 PolarHBondContact O-N 2.95Å; K30-L34 WeakPolarHBondContact O-CB 3.43Å; K30-L34 PolarHBondContact O-N 3.39Å
31	E	94.7	Very high	91.9	Very high	37 Å²	37	62.7 Å²	62.7	17%	0.173	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-41.2	177.7	-65.2	178.1	119.8	0	0	111.2	F27 T28 L34 L35 V77 K80	F27-E31 WeakPolarHBondContact CA-OE2 3.31Å; F27-E31 HydrophobicContact CB-CB 3.95Å; F27-E31 HydrophobicContact CD1-CB 4.22Å; T28-E31 PolarHBondContact N-OE2 2.66Å; T28-E31 PolarHBondContact O-N 3.32Å; T28-E31 VanDerWaalsContact O-N 3.15Å; T28-E31 VanDerWaalsContact OG1-CG 3.31Å; T28-E31 WeakPolarHBondContact OG1-CG 3.43Å; T28-E31 PolarHBondContact OG1-N 3.31Å; T28-E31 PolarHBondContact OG1-OE2 3.37Å; E31-L34 WeakPolarHBondContact O-CB 3.42Å; E31-L34 PolarHBondContact O-N 2.87Å; E31-L35 PolarHBondContact O-N 3.41Å; E31-V77 HydrophobicContact CB-CG1 4.15Å; E31-V77 HydrophobicContact CB-CG2 3.68Å; E31-V77 HydrophobicContact CG-CG2 3.47Å; E31-V77 VanDerWaalsContact CG-CG2 3.47Å; E31-K80 IonicContact OE1-NZ 3.86Å; E31-K80 PolarHBondContact OE1-NZ 3.31Å; E31-K80 IonicContact OE2-NZ 2.99Å; E31-K80 PolarHBondContact OE2-NZ 2.93Å
32	A	94.2	Very high	92.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-47.9	176.5	0	0	0	0	0	111.7	F21 S22 F27 T28 K30 L34 L35 E36	F21-A32 HydrophobicContact CB-CB 3.72Å; S22-A32 WeakPolarHBondContact OG-CB 3.49Å; F27-A32 HydrophobicContact CB-CB 4.25Å; T28-A32 WeakPolarHBondContact O-CB 3.41Å; T28-A32 PolarHBondContact O-N 3.5Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-A32 PolarHBondContact O-N 2.94Å; A32-L34 VanDerWaalsContact C-N 3.26Å; A32-L34 PolarHBondContact O-N 3.25Å; A32-L35 PolarHBondContact O-N 2.93Å; A32-E36 VanDerWaalsContact O-CG 3.32Å; A32-E36 WeakPolarHBondContact O-CG 3.29Å; A32-E36 PolarHBondContact O-N 2.94Å
33	Q	92.6	Very high	92.3	Very high	116 Å²	116	61.8 Å²	61.8	54%	0.542	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-36.3	175.7	-73.5	175.5	7.3	0	0	112.4	I29 K30 E36 R37	I29-Q33 VanDerWaalsContact O-CG 3.29Å; I29-Q33 WeakPolarHBondContact O-CG 3.4Å; I29-Q33 PolarHBondContact O-N 3.28Å; K30-Q33 PolarHBondContact O-N 2.95Å; Q33-E36 PolarHBondContact O-N 2.99Å; Q33-R37 VanDerWaalsContact O-CB 3.31Å; Q33-R37 WeakPolarHBondContact O-CB 3.31Å; Q33-R37 PolarHBondContact O-N 3.01Å
34	L	93	Very high	92.6	Very high	43 Å²	43	55.8 Å²	55.8	23%	0.225	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-46.4	175.8	-168.5	77.1	0	0	0	111.3	K30 E31 A32 R37 H38 E73 A74 V77	K30-L34 WeakPolarHBondContact O-CB 3.43Å; K30-L34 PolarHBondContact O-N 3.39Å; E31-L34 WeakPolarHBondContact O-CB 3.42Å; E31-L34 PolarHBondContact O-N 2.87Å; A32-L34 VanDerWaalsContact C-N 3.26Å; A32-L34 PolarHBondContact O-N 3.25Å; L34-R37 PolarHBondContact O-N 3.06Å; L34-H38 PolarHBondContact O-N 3.23Å; L34-E73 HydrophobicContact CD2-CB 4.24Å; L34-A74 HydrophobicContact CD2-CB 4.49Å; L34-V77 HydrophobicContact CD2-CB 4.17Å; L34-V77 HydrophobicContact CD2-CG2 4.05Å
35	L	93.4	Very high	93	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-45.9	173.1	-77.8	166.8	0	0	0	111.4	Y11 F21 F27 E31 A32 R37 G39 F42 V77 W78 Y81	Y11-L35 WeakPolarHBondContact CB-O 3.49Å; F21-L35 HydrophobicContact CD1-CD1 4.05Å; F21-L35 HydrophobicContact CD2-CB 4.16Å; F21-L35 HydrophobicContact CE1-CD1 4.29Å; F21-L35 HydrophobicContact CE2-CB 4.19Å; F21-L35 HydrophobicContact CG-CD1 4.27Å; F27-L35 HydrophobicContact CD1-CD1 3.91Å; F27-L35 HydrophobicContact CD2-CD1 4.27Å; F27-L35 HydrophobicContact CE1-CD1 3.7Å; F27-L35 HydrophobicContact CE2-CD1 4.07Å; F27-L35 HydrophobicContact CG-CD1 4.19Å; F27-L35 HydrophobicContact CZ-CD1 3.79Å; E31-L35 PolarHBondContact O-N 3.41Å; A32-L35 PolarHBondContact O-N 2.93Å; L35-R37 VanDerWaalsContact C-N 3.28Å; L35-R37 PolarHBondContact O-N 3.22Å; L35-G39 WeakPolarHBondContact O-CA 3.47Å; L35-G39 PolarHBondContact O-N 3.03Å; L35-F42 HydrophobicContact CD2-CD2 4.39Å; L35-V77 HydrophobicContact CD1-CG1 3.64Å; L35-V77 HydrophobicContact CD2-CG1 3.82Å; L35-V77 HydrophobicContact CG-CG1 3.38Å; L35-W78 HydrophobicContact CD2-CE3 3.92Å; L35-W78 HydrophobicContact CD2-CZ3 4.34Å; L35-Y81 HydrophobicContact CD2-CG 4.36Å
36	E	93	Very high	93.1	Very high	36 Å²	36	49.7 Å²	49.7	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-39.1	178.6	-70.2	176	99	0	0	111	R10 Y11 F21 A32 Q33	R10-E36 CarbonylContact C-O 3.22Å; R10-E36 WeakPolarHBondContact CA-O 3.44Å; R10-E36 WeakPolarHBondContact CB-O 3.2Å; Y11-E36 PolarHBondContact N-O 3.03Å; F21-E36 HydrophobicContact CD2-CG 3.9Å; F21-E36 HydrophobicContact CE2-CG 4.4Å; A32-E36 VanDerWaalsContact O-CG 3.32Å; A32-E36 WeakPolarHBondContact O-CG 3.29Å; A32-E36 PolarHBondContact O-N 2.94Å; Q33-E36 PolarHBondContact O-N 2.99Å
37	R	91.8	Very high	93.2	Very high	141 Å²	141	53 Å²	53	53%	0.532	25%	0.25	S	S	.	.	H	α-helix	trans	-79.2	-38.3	-178.2	-173.5	176.1	178.6	173.7	-2.6	114	E3 T7 Q33 L34 L35	E3-R37 IonicContact OE1-NH2 3.54Å; E3-R37 PolarHBondContact OE1-NH2 3.01Å; T7-R37 PolarHBondContact OG1-O 3.38Å; Q33-R37 VanDerWaalsContact O-CB 3.31Å; Q33-R37 WeakPolarHBondContact O-CB 3.31Å; Q33-R37 PolarHBondContact O-N 3.01Å; L34-R37 PolarHBondContact O-N 3.06Å; L35-R37 VanDerWaalsContact C-N 3.28Å; L35-R37 PolarHBondContact O-N 3.22Å
38	H	92.7	Very high	93.1	Very high	24 Å²	24	55.4 Å²	55.4	11%	0.111	28%	0.279	C	S	.	.	H	α-helix	trans	-119.3	-2.2	-170.5	-62.3	-64.8	0	0	0	113.8	F5 L34 Y40 A41 F42	F5-H38 HydrophobicContact CB-CB 3.91Å; F5-H38 PolarHBondContact O-ND1 3.32Å; L34-H38 PolarHBondContact O-N 3.23Å; H38-Y40 VanDerWaalsContact C-N 3.26Å; H38-Y40 PolarHBondContact O-N 2.78Å; H38-A41 WeakPolarHBondContact O-CB 3.19Å; H38-A41 PolarHBondContact O-N 3.15Å; H38-F42 HydrophobicContact CB-CD1 4.46Å; H38-F42 HydrophobicContact CB-CD2 4.28Å; H38-F42 HydrophobicContact CB-CE1 3.88Å; H38-F42 HydrophobicContact CB-CE2 3.66Å; H38-F42 HydrophobicContact CB-CZ 3.42Å; H38-F42 VanDerWaalsContact CB-CZ 3.42Å; H38-F42 WeakPolarHBondContact O-CG 3.29Å; H38-F42 PolarHBondContact O-N 3.36Å
39	G	93.5	Very high	92.9	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-27.9	-171.4	0	0	0	0	0	114.6	L35 N43	L35-G39 WeakPolarHBondContact O-CA 3.47Å; L35-G39 PolarHBondContact O-N 3.03Å; G39-N43 VanDerWaalsContact O-CB 3.27Å; G39-N43 WeakPolarHBondContact O-CB 3.34Å; G39-N43 PolarHBondContact O-N 3.08Å
40	Y	94.1	Very high	92.7	Very high	90 Å²	90	56.7 Å²	56.7	35%	0.353	27%	0.271	S	S	.	.	H	α-helix	trans	-66.7	-47.7	171.9	-80.2	-66.9	0	0	0	111.2	N9 R10 Y11 H38 F42 N43 E44	N9-Y40 HydrophobicContact CB-CD2 4.12Å; N9-Y40 HydrophobicContact CB-CE2 3.66Å; N9-Y40 WeakPolarHBondContact O-CD2 3.18Å; R10-Y40 VanDerWaalsContact C-CE2 3.43Å; R10-Y40 WeakPolarHBondContact O-CE2 3.5Å; Y11-Y40 AromaticContact CD2-CD1 3.88Å; Y11-Y40 HydrophobicContact CD2-CD1 3.88Å; Y11-Y40 HydrophobicContact CD2-CD2 4.38Å; Y11-Y40 HydrophobicContact CD2-CE1 4.07Å; Y11-Y40 HydrophobicContact CD2-CG 4.03Å; H38-Y40 VanDerWaalsContact C-N 3.26Å; H38-Y40 PolarHBondContact O-N 2.78Å; Y40-F42 VanDerWaalsContact C-N 3.3Å; Y40-F42 PolarHBondContact O-N 3.44Å; Y40-N43 PolarHBondContact O-N 2.91Å; Y40-N43 VanDerWaalsContact O-N 3.15Å; Y40-E44 WeakPolarHBondContact O-CB 3.19Å; Y40-E44 VanDerWaalsContact O-CG 3.28Å; Y40-E44 WeakPolarHBondContact O-CG 3.25Å; Y40-E44 PolarHBondContact O-N 3.48Å
41	A	93.1	Very high	92.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-43.1	177.6	0	0	0	0	0	110.8	F5 T7 H38 N43 E44 L45	F5-A41 HydrophobicContact CB-CB 3.91Å; F5-A41 HydrophobicContact CD1-CB 4.41Å; T7-A41 HydrophobicContact CG2-CB 3.55Å; H38-A41 WeakPolarHBondContact O-CB 3.19Å; H38-A41 PolarHBondContact O-N 3.15Å; A41-N43 PolarHBondContact O-N 2.78Å; A41-E44 PolarHBondContact O-N 2.91Å; A41-L45 VanDerWaalsContact O-CB 3.31Å; A41-L45 WeakPolarHBondContact O-CB 3.19Å; A41-L45 WeakPolarHBondContact O-CD1 3.27Å; A41-L45 WeakPolarHBondContact O-CG 3.46Å; A41-L45 PolarHBondContact O-N 3.48Å
42	F	94.3	Very high	92.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-47.9	174	-62.8	-21.5	0	0	0	112.1	F5 L35 H38 Y40 L45 D46 F60 A74 W78	F5-F42 HydrophobicContact CB-CE1 3.99Å; F5-F42 AromaticContact CD1-CD1 3.62Å; F5-F42 HydrophobicContact CD1-CD1 3.62Å; F5-F42 AromaticContact CD1-CE1 3.44Å; F5-F42 HydrophobicContact CD1-CE1 3.44Å; F5-F42 VanDerWaalsContact CD1-CE1 3.44Å; F5-F42 HydrophobicContact CD2-CE1 4.02Å; F5-F42 AromaticContact CE1-CD1 4Å; F5-F42 HydrophobicContact CE1-CD1 4Å; F5-F42 AromaticContact CE1-CE1 3.82Å; F5-F42 HydrophobicContact CE1-CE1 3.82Å; F5-F42 HydrophobicContact CE2-CE1 4.38Å; F5-F42 HydrophobicContact CG-CD1 4.15Å; F5-F42 AromaticContact CG-CE1 3.54Å; F5-F42 HydrophobicContact CG-CE1 3.54Å; F5-F42 HydrophobicContact CZ-CE1 4.28Å; L35-F42 HydrophobicContact CD2-CD2 4.39Å; H38-F42 HydrophobicContact CB-CD1 4.46Å; H38-F42 HydrophobicContact CB-CD2 4.28Å; H38-F42 HydrophobicContact CB-CE1 3.88Å; H38-F42 HydrophobicContact CB-CE2 3.66Å; H38-F42 HydrophobicContact CB-CZ 3.42Å; H38-F42 VanDerWaalsContact CB-CZ 3.42Å; H38-F42 WeakPolarHBondContact O-CG 3.29Å; H38-F42 PolarHBondContact O-N 3.36Å; Y40-F42 VanDerWaalsContact C-N 3.3Å; Y40-F42 PolarHBondContact O-N 3.44Å; F42-L45 PolarHBondContact O-N 2.91Å; F42-D46 WeakPolarHBondContact O-CB 3.43Å; F42-D46 PolarHBondContact O-N 3.48Å; F42-F60 HydrophobicContact CB-CE1 4.1Å; F42-F60 HydrophobicContact CB-CE2 4.39Å; F42-F60 HydrophobicContact CB-CZ 3.56Å; F42-F60 HydrophobicContact CD1-CD2 4.25Å; F42-F60 HydrophobicContact CD1-CE1 4.09Å; F42-F60 AromaticContact CD1-CE2 3.58Å; F42-F60 HydrophobicContact CD1-CE2 3.58Å; F42-F60 AromaticContact CD1-CZ 3.5Å; F42-F60 HydrophobicContact CD1-CZ 3.5Å; F42-F60 VanDerWaalsContact CD1-CZ 3.5Å; F42-F60 HydrophobicContact CE1-CD2 4.44Å; F42-F60 HydrophobicContact CE1-CE2 4Å; F42-F60 HydrophobicContact CE1-CZ 4.37Å; F42-F60 HydrophobicContact CG-CE1 4.41Å; F42-F60 AromaticContact CG-CE2 3.97Å; F42-F60 HydrophobicContact CG-CE2 3.97Å; F42-F60 AromaticContact CG-CZ 3.63Å; F42-F60 HydrophobicContact CG-CZ 3.63Å; F42-A74 HydrophobicContact CE1-CB 3.74Å; F42-A74 HydrophobicContact CE2-CB 4.48Å; F42-A74 HydrophobicContact CZ-CB 3.49Å; F42-A74 VanDerWaalsContact CZ-CB 3.49Å; F42-W78 HydrophobicContact CB-CD2 3.61Å; F42-W78 HydrophobicContact CB-CE3 3.43Å; F42-W78 VanDerWaalsContact CB-CE3 3.43Å; F42-W78 HydrophobicContact CB-CG 4.16Å; F42-W78 HydrophobicContact CB-CH2 4.21Å; F42-W78 HydrophobicContact CB-CZ2 4.36Å; F42-W78 HydrophobicContact CB-CZ3 3.75Å; F42-W78 HydrophobicContact CD2-CB 4.38Å; F42-W78 HydrophobicContact CD2-CD2 4.45Å; F42-W78 AromaticContact CD2-CE3 3.89Å; F42-W78 HydrophobicContact CD2-CE3 3.89Å; F42-W78 HydrophobicContact CG-CD2 4.36Å; F42-W78 HydrophobicContact CG-CE3 4.1Å
43	N	93.2	Very high	92	Very high	38 Å²	38	62.8 Å²	62.8	20%	0.203	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-43.1	178.5	-173.1	-105.2	0	0	0	112.3	Y11 G39 Y40 A41 D46 L47 W78	Y11-N43 HydrophobicContact CE2-CB 4.18Å; G39-N43 VanDerWaalsContact O-CB 3.27Å; G39-N43 WeakPolarHBondContact O-CB 3.34Å; G39-N43 PolarHBondContact O-N 3.08Å; Y40-N43 PolarHBondContact O-N 2.91Å; Y40-N43 VanDerWaalsContact O-N 3.15Å; A41-N43 PolarHBondContact O-N 2.78Å; N43-D46 PolarHBondContact O-N 3.07Å; N43-L47 VanDerWaalsContact O-CB 3.29Å; N43-L47 WeakPolarHBondContact O-CB 3.41Å; N43-L47 WeakPolarHBondContact O-CG 3.28Å; N43-L47 PolarHBondContact O-N 3.26Å; N43-L47 VanDerWaalsContact OD1-CD1 3.28Å; N43-L47 WeakPolarHBondContact OD1-CD1 3.28Å; N43-W78 HydrophobicContact CB-CH2 3.67Å; N43-W78 HydrophobicContact CB-CZ2 4.21Å
44	E	93.8	Very high	91.8	Very high	72 Å²	72	59 Å²	59	34%	0.336	30%	0.298	S	S	.	.	H	α-helix	trans	-68.4	-37.8	-179.7	-69.2	175.9	109.7	0	0	112.2	Y40 A41 G48 K49 R50	Y40-E44 WeakPolarHBondContact O-CB 3.19Å; Y40-E44 VanDerWaalsContact O-CG 3.28Å; Y40-E44 WeakPolarHBondContact O-CG 3.25Å; Y40-E44 PolarHBondContact O-N 3.48Å; A41-E44 PolarHBondContact O-N 2.91Å; E44-G48 CarbonylContact O-C 3.39Å; E44-G48 PolarHBondContact O-N 2.92Å; E44-G48 VanDerWaalsContact O-N 3.08Å; E44-K49 HydrophobicContact CB-CB 4.25Å; E44-K49 PolarHBondContact O-N 3.17Å; E44-R50 HydrophobicContact CB-CB 3.69Å; E44-R50 PolarHBondContact O-N 2.94Å; E44-R50 VanDerWaalsContact O-N 3.15Å
45	L	93.5	Very high	91.6	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-68.1	-44.4	174.1	-71.7	168.3	0	0	0	111.5	F5 A41 F42 L47 G48 R50 P52 E57 F60 V61	F5-L45 HydrophobicContact CD1-CD1 3.73Å; F5-L45 HydrophobicContact CE1-CD1 3.66Å; A41-L45 VanDerWaalsContact O-CB 3.31Å; A41-L45 WeakPolarHBondContact O-CB 3.19Å; A41-L45 WeakPolarHBondContact O-CD1 3.27Å; A41-L45 WeakPolarHBondContact O-CG 3.46Å; A41-L45 PolarHBondContact O-N 3.48Å; F42-L45 PolarHBondContact O-N 2.91Å; L45-L47 VanDerWaalsContact C-N 3.33Å; L45-L47 PolarHBondContact O-N 2.81Å; L45-G48 PolarHBondContact O-N 3.37Å; L45-G48 VanDerWaalsContact O-N 3.07Å; L45-R50 HydrophobicContact CD2-CB 4.21Å; L45-R50 HydrophobicContact CD2-CG 3.96Å; L45-R50 HydrophobicContact CG-CB 4.45Å; L45-R50 HydrophobicContact CG-CG 4.38Å; L45-P52 HydrophobicContact CD2-CB 4.03Å; L45-E57 HydrophobicContact CD1-CB 4.02Å; L45-E57 HydrophobicContact CD1-CG 3.85Å; L45-E57 HydrophobicContact CD2-CB 4.31Å; L45-F60 HydrophobicContact CB-CD1 4.12Å; L45-F60 HydrophobicContact CB-CE1 4.16Å; L45-F60 HydrophobicContact CD1-CD1 4.07Å; L45-F60 HydrophobicContact CD1-CE1 4.49Å; L45-V61 HydrophobicContact CB-CG2 3.95Å; L45-V61 HydrophobicContact CD2-CG2 4.12Å
46	D	91.4	Very high	91.4	Very high	50 Å²	50	68.9 Å²	68.9	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-40.6	177	-177.1	65.7	0	0	0	111.8	F42 N43 G48 C64 W78	F42-D46 WeakPolarHBondContact O-CB 3.43Å; F42-D46 PolarHBondContact O-N 3.48Å; N43-D46 PolarHBondContact O-N 3.07Å; D46-G48 VanDerWaalsContact C-N 3.27Å; D46-G48 PolarHBondContact O-N 3.23Å; D46-C64 VanDerWaalsContact OD1-CB 3.29Å; D46-C64 WeakPolarHBondContact OD1-CB 3.32Å; D46-W78 HydrophobicContact CB-CZ2 3.95Å
47	L	91.3	Very high	91.3	Very high	96 Å²	96	67.3 Å²	67.3	50%	0.503	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.2	175	-67	177.6	0	0	0	113.8	N43 L45 K49	N43-L47 VanDerWaalsContact O-CB 3.29Å; N43-L47 WeakPolarHBondContact O-CB 3.41Å; N43-L47 WeakPolarHBondContact O-CG 3.28Å; N43-L47 PolarHBondContact O-N 3.26Å; N43-L47 VanDerWaalsContact OD1-CD1 3.28Å; N43-L47 WeakPolarHBondContact OD1-CD1 3.28Å; L45-L47 VanDerWaalsContact C-N 3.33Å; L45-L47 PolarHBondContact O-N 2.81Å; L47-K49 HydrophobicContact CB-CD 4.41Å; L47-K49 HydrophobicContact CB-CG 4.12Å; L47-K49 HydrophobicContact CD1-CD 4.3Å; L47-K49 PolarHBondContact O-N 2.92Å
48	G	90.4	Very high	91.3	Very high	62 Å²	62	66.4 Å²	66.4	64%	0.639	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	18.5	-175.1	0	0	0	0	0	114.8	E44 L45 D46	E44-G48 CarbonylContact O-C 3.39Å; E44-G48 PolarHBondContact O-N 2.92Å; E44-G48 VanDerWaalsContact O-N 3.08Å; L45-G48 PolarHBondContact O-N 3.37Å; L45-G48 VanDerWaalsContact O-N 3.07Å; D46-G48 VanDerWaalsContact C-N 3.27Å; D46-G48 PolarHBondContact O-N 3.23Å
49	K	90.9	Very high	91.3	Very high	157 Å²	157	68.1 Å²	68.1	68%	0.683	35%	0.345	S	S	*	.	S	Bend	trans	-75.7	-31.6	174.5	-69.1	-178.5	177.5	176	0	112.4	E44 L47	E44-K49 HydrophobicContact CB-CB 4.25Å; E44-K49 PolarHBondContact O-N 3.17Å; L47-K49 HydrophobicContact CB-CD 4.41Å; L47-K49 HydrophobicContact CB-CG 4.12Å; L47-K49 HydrophobicContact CD1-CD 4.3Å; L47-K49 PolarHBondContact O-N 2.92Å
50	R	88.7	Confident	91.3	Very high	68 Å²	68	68.1 Å²	68.1	26%	0.257	35%	0.345	S	S	.	.	S	Bend	trans	-109.1	135.2	176.8	176.1	175.2	170.9	157.1	-1.5	108.5	T6 E44 L45 E57	T6-R50 PolarHBondContact O-NH1 2.72Å; T6-R50 VanDerWaalsContact O-NH1 3.07Å; E44-R50 HydrophobicContact CB-CB 3.69Å; E44-R50 PolarHBondContact O-N 2.94Å; E44-R50 VanDerWaalsContact O-N 3.15Å; L45-R50 HydrophobicContact CD2-CB 4.21Å; L45-R50 HydrophobicContact CD2-CG 3.96Å; L45-R50 HydrophobicContact CG-CB 4.45Å; L45-R50 HydrophobicContact CG-CG 4.38Å; R50-E57 IonicContact CZ-OE1 2.71Å; R50-E57 IonicContact NE-OE1 3.47Å; R50-E57 PolarHBondContact NE-OE1 3.02Å; R50-E57 VanDerWaalsContact NE-OE1 3.12Å; R50-E57 IonicContact NH2-OE1 3.13Å; R50-E57 PolarHBondContact NH2-OE1 3.17Å
51	E	89.8	Confident	91.3	Very high	166 Å²	166	64.7 Å²	64.7	78%	0.776	33%	0.334	S	S	*	.			trans	-81.1	135.9	173.1	-67.5	-175.6	90.5	0	0	110.2	V53	E51-V53 PolarHBondContact O-N 3.34Å
52	P	89.4	Confident	91.3	Very high	42 Å²	42	65.7 Å²	65.7	27%	0.273	34%	0.342	S	S	.	.			trans	-72.1	115.6	177.2	28.9	-33.8	0	0	0	110.5	L45 E57 K58 V61	L45-P52 HydrophobicContact CD2-CB 4.03Å; P52-E57 VanDerWaalsContact CB-C 3.49Å; P52-E57 HydrophobicContact CB-CB 3.61Å; P52-K58 HydrophobicContact CB-CB 4.33Å; P52-K58 HydrophobicContact CB-CG 3.72Å; P52-K58 HydrophobicContact CG-CG 3.91Å; P52-V61 HydrophobicContact CB-CG2 4.2Å; P52-V61 HydrophobicContact CG-CG2 4.2Å
53	V	87.8	Confident	91.4	Very high	114 Å²	114	66.2 Å²	66.2	69%	0.691	35%	0.345	S	S	*	.			trans	-91.6	-46.4	-177.3	179.8	0	0	0	0	110.1	E51 E57	E51-V53 PolarHBondContact O-N 3.34Å; V53-E57 PolarHBondContact N-OE2 3.36Å
54	T	88.8	Confident	91.2	Very high	37 Å²	37	66.1 Å²	66.1	23%	0.227	35%	0.347	C	S	.	.	S	Bend	trans	-87.4	159.1	179.7	70.9	0	0	0	0	111.8	S4 E56 E57 K58	S4-T54 PolarHBondContact OG-OG1 2.98Å; T54-E56 PolarHBondContact O-N 2.76Å; T54-E57 PolarHBondContact N-OE2 3.36Å; T54-E57 PolarHBondContact O-N 3.06Å; T54-E57 WeakPolarHBondContact OG1-CG 3.21Å; T54-E57 PolarHBondContact OG1-N 3.39Å; T54-E57 PolarHBondContact OG1-OE2 2.76Å; T54-K58 WeakPolarHBondContact O-CG 3.22Å; T54-K58 PolarHBondContact O-N 3.21Å
55	E	89.2	Confident	91.1	Very high	152 Å²	152	71.4 Å²	71.4	71%	0.71	36%	0.364	S	S	*	.	H	α-helix	trans	-60.3	-37.4	175.6	-175.3	146.6	73.7	0	0	111.8	E57 K58 L59	E55-E57 VanDerWaalsContact C-N 3.35Å; E55-E57 PolarHBondContact O-N 3.41Å; E55-K58 PolarHBondContact O-N 3.34Å; E55-L59 HydrophobicContact CG-CD1 4.11Å; E55-L59 HydrophobicContact CG-CG 4.36Å; E55-L59 WeakPolarHBondContact O-CB 3.27Å; E55-L59 VanDerWaalsContact O-CG 3.23Å; E55-L59 WeakPolarHBondContact O-CG 3.41Å; E55-L59 PolarHBondContact O-N 2.79Å
56	E	88.9	Confident	90.9	Very high	98 Å²	98	74.3 Å²	74.3	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-60.3	-42.3	174.2	-66.2	-179.7	99.5	0	0	112.3	S4 F5 T54 L59 F60	S4-E56 WeakPolarHBondContact CB-OE2 3.09Å; S4-E56 PolarHBondContact OG-OE2 3.15Å; F5-E56 HydrophobicContact CE2-CB 4.2Å; F5-E56 HydrophobicContact CZ-CB 4.25Å; T54-E56 PolarHBondContact O-N 2.76Å; E56-L59 PolarHBondContact O-N 2.87Å; E56-F60 VanDerWaalsContact O-CB 3.24Å; E56-F60 WeakPolarHBondContact O-CB 3.46Å; E56-F60 PolarHBondContact O-N 2.9Å
57	E	91.3	Very high	90.9	Very high	3 Å²	3	78.6 Å²	78.6	1%	0.014	41%	0.413	C	S	.	.	H	α-helix	trans	-66.6	-38.2	176.2	-69.2	176.3	125.3	0	0	111.6	F5 L45 R50 P52 V53 T54 E55 F60 V61	F5-E57 HydrophobicContact CD1-CG 3.95Å; F5-E57 HydrophobicContact CE1-CB 4.31Å; F5-E57 HydrophobicContact CE1-CG 3.64Å; F5-E57 HydrophobicContact CZ-CG 4.06Å; L45-E57 HydrophobicContact CD1-CB 4.02Å; L45-E57 HydrophobicContact CD1-CG 3.85Å; L45-E57 HydrophobicContact CD2-CB 4.31Å; R50-E57 IonicContact CZ-OE1 2.71Å; R50-E57 IonicContact NE-OE1 3.47Å; R50-E57 PolarHBondContact NE-OE1 3.02Å; R50-E57 VanDerWaalsContact NE-OE1 3.12Å; R50-E57 IonicContact NH2-OE1 3.13Å; R50-E57 PolarHBondContact NH2-OE1 3.17Å; P52-E57 VanDerWaalsContact CB-C 3.49Å; P52-E57 HydrophobicContact CB-CB 3.61Å; V53-E57 PolarHBondContact N-OE2 3.36Å; T54-E57 PolarHBondContact N-OE2 3.36Å; T54-E57 PolarHBondContact O-N 3.06Å; T54-E57 WeakPolarHBondContact OG1-CG 3.21Å; T54-E57 PolarHBondContact OG1-N 3.39Å; T54-E57 PolarHBondContact OG1-OE2 2.76Å; E55-E57 VanDerWaalsContact C-N 3.35Å; E55-E57 PolarHBondContact O-N 3.41Å; E57-F60 WeakPolarHBondContact O-CB 3.44Å; E57-F60 PolarHBondContact O-N 3Å; E57-V61 WeakPolarHBondContact O-CG2 3.49Å; E57-V61 PolarHBondContact O-N 2.75Å
58	K	92.3	Very high	90.9	Very high	122 Å²	122	78.4 Å²	78.4	53%	0.53	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-45.6	177.3	-69.2	177.9	-174.1	179.4	0	111.1	P52 T54 E55 F60 V61 A62	P52-K58 HydrophobicContact CB-CB 4.33Å; P52-K58 HydrophobicContact CB-CG 3.72Å; P52-K58 HydrophobicContact CG-CG 3.91Å; T54-K58 WeakPolarHBondContact O-CG 3.22Å; T54-K58 PolarHBondContact O-N 3.21Å; E55-K58 PolarHBondContact O-N 3.34Å; K58-F60 VanDerWaalsContact C-N 3.32Å; K58-V61 PolarHBondContact O-N 2.92Å; K58-A62 PolarHBondContact O-N 3.33Å
59	L	92.2	Very high	91	Very high	60 Å²	60	83.2 Å²	83.2	31%	0.314	41%	0.412	S	S	.	.	H	α-helix	trans	-62.3	-42	175.4	-70.5	175.3	0	0	0	111.3	E55 E56 V61 A62 V63	E55-L59 HydrophobicContact CG-CD1 4.11Å; E55-L59 HydrophobicContact CG-CG 4.36Å; E55-L59 WeakPolarHBondContact O-CB 3.27Å; E55-L59 VanDerWaalsContact O-CG 3.23Å; E55-L59 WeakPolarHBondContact O-CG 3.41Å; E55-L59 PolarHBondContact O-N 2.79Å; E56-L59 PolarHBondContact O-N 2.87Å; L59-V61 VanDerWaalsContact C-N 3.35Å; L59-V61 PolarHBondContact O-N 2.87Å; L59-A62 WeakPolarHBondContact O-CB 3.27Å; L59-A62 PolarHBondContact O-N 3.46Å; L59-A62 VanDerWaalsContact O-N 3.16Å; L59-V63 WeakPolarHBondContact O-CG2 3.14Å; L59-V63 PolarHBondContact O-N 2.82Å
60	F	93.3	Very high	91.1	Very high	1 Å²	1	77.8 Å²	77.8	0%	0.004	39%	0.392	C	S	.	.	H	α-helix	trans	-58.9	-44.3	175.3	179.4	-88.1	0	0	0	112.3	F5 F42 L45 E56 E57 K58 A62 V63 C64 E75 W78	F5-F60 HydrophobicContact CE1-CB 4.01Å; F5-F60 HydrophobicContact CE1-CD1 4.32Å; F5-F60 HydrophobicContact CE1-CD2 4.23Å; F5-F60 AromaticContact CE1-CG 3.93Å; F5-F60 HydrophobicContact CE1-CG 3.93Å; F5-F60 HydrophobicContact CZ-CB 4.02Å; F5-F60 HydrophobicContact CZ-CD2 4.38Å; F5-F60 HydrophobicContact CZ-CG 4.27Å; F42-F60 HydrophobicContact CB-CE1 4.1Å; F42-F60 HydrophobicContact CB-CE2 4.39Å; F42-F60 HydrophobicContact CB-CZ 3.56Å; F42-F60 HydrophobicContact CD1-CD2 4.25Å; F42-F60 HydrophobicContact CD1-CE1 4.09Å; F42-F60 AromaticContact CD1-CE2 3.58Å; F42-F60 HydrophobicContact CD1-CE2 3.58Å; F42-F60 AromaticContact CD1-CZ 3.5Å; F42-F60 HydrophobicContact CD1-CZ 3.5Å; F42-F60 VanDerWaalsContact CD1-CZ 3.5Å; F42-F60 HydrophobicContact CE1-CD2 4.44Å; F42-F60 HydrophobicContact CE1-CE2 4Å; F42-F60 HydrophobicContact CE1-CZ 4.37Å; F42-F60 HydrophobicContact CG-CE1 4.41Å; F42-F60 AromaticContact CG-CE2 3.97Å; F42-F60 HydrophobicContact CG-CE2 3.97Å; F42-F60 AromaticContact CG-CZ 3.63Å; F42-F60 HydrophobicContact CG-CZ 3.63Å; L45-F60 HydrophobicContact CB-CD1 4.12Å; L45-F60 HydrophobicContact CB-CE1 4.16Å; L45-F60 HydrophobicContact CD1-CD1 4.07Å; L45-F60 HydrophobicContact CD1-CE1 4.49Å; E56-F60 VanDerWaalsContact O-CB 3.24Å; E56-F60 WeakPolarHBondContact O-CB 3.46Å; E56-F60 PolarHBondContact O-N 2.9Å; E57-F60 WeakPolarHBondContact O-CB 3.44Å; E57-F60 PolarHBondContact O-N 3Å; K58-F60 VanDerWaalsContact C-N 3.32Å; F60-A62 VanDerWaalsContact C-N 3.35Å; F60-A62 PolarHBondContact O-N 3.37Å; F60-V63 WeakPolarHBondContact O-CB 3.23Å; F60-V63 PolarHBondContact O-N 3.09Å; F60-C64 WeakPolarHBondContact CE1-SG 3.35Å; F60-C64 PolarHBondContact O-N 2.88Å; F60-C64 PolarHBondContact O-SG 3.48Å; F60-E75 HydrophobicContact CB-CG 4.27Å; F60-E75 HydrophobicContact CD2-CB 4.43Å; F60-E75 HydrophobicContact CD2-CG 3.81Å; F60-E75 HydrophobicContact CG-CG 4.49Å; F60-W78 HydrophobicContact CE1-CG 4.47Å; F60-W78 HydrophobicContact CE2-CB 3.59Å; F60-W78 AromaticContact CE2-CG 3.92Å; F60-W78 HydrophobicContact CE2-CG 3.92Å; F60-W78 HydrophobicContact CZ-CB 3.62Å; F60-W78 AromaticContact CZ-CD1 3.35Å; F60-W78 HydrophobicContact CZ-CD2 4.1Å; F60-W78 AromaticContact CZ-CG 3.4Å; F60-W78 HydrophobicContact CZ-CG 3.4Å; F60-W78 VanDerWaalsContact CZ-CG 3.4Å; F60-W78 AromaticContact CZ-NE1 3.97Å
61	V	93.6	Very high	91.2	Very high	17 Å²	17	78.9 Å²	78.9	10%	0.103	41%	0.407	C	S	.	.	H	α-helix	trans	-62.5	-41.6	175.4	172.5	0	0	0	0	111.2	L45 P52 E57 K58 L59 V63 C64 R65	L45-V61 HydrophobicContact CB-CG2 3.95Å; L45-V61 HydrophobicContact CD2-CG2 4.12Å; P52-V61 HydrophobicContact CB-CG2 4.2Å; P52-V61 HydrophobicContact CG-CG2 4.2Å; E57-V61 WeakPolarHBondContact O-CG2 3.49Å; E57-V61 PolarHBondContact O-N 2.75Å; K58-V61 PolarHBondContact O-N 2.92Å; L59-V61 VanDerWaalsContact C-N 3.35Å; L59-V61 PolarHBondContact O-N 2.87Å; V61-V63 VanDerWaalsContact C-N 3.3Å; V61-V63 PolarHBondContact O-N 3.37Å; V61-C64 WeakPolarHBondContact O-CB 3.41Å; V61-C64 PolarHBondContact O-N 3.34Å; V61-R65 WeakPolarHBondContact O-CG 3.05Å; V61-R65 PolarHBondContact O-N 2.97Å
62	A	94.5	Very high	91.3	Very high	22 Å²	22	73.5 Å²	73.5	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-61.4	-37.8	175.2	0	0	0	0	0	112.2	K58 L59 F60 R65 G66 E67 R68	K58-A62 PolarHBondContact O-N 3.33Å; L59-A62 WeakPolarHBondContact O-CB 3.27Å; L59-A62 PolarHBondContact O-N 3.46Å; L59-A62 VanDerWaalsContact O-N 3.16Å; F60-A62 VanDerWaalsContact C-N 3.35Å; F60-A62 PolarHBondContact O-N 3.37Å; A62-R65 PolarHBondContact O-N 3.33Å; A62-G66 PolarHBondContact O-N 3.42Å; A62-E67 HydrophobicContact CB-CB 4.4Å; A62-E67 PolarHBondContact O-N 2.82Å; A62-R68 HydrophobicContact CB-CB 4.25Å; A62-R68 PolarHBondContact O-N 2.96Å
63	V	94.4	Very high	91.4	Very high	11 Å²	11	78.3 Å²	78.3	7%	0.067	40%	0.404	C	S	.	.	H	α-helix	trans	-65.3	-43.4	173	173.7	0	0	0	0	111.5	L59 F60 V61 R65 G66 R68 P70 E75	L59-V63 WeakPolarHBondContact O-CG2 3.14Å; L59-V63 PolarHBondContact O-N 2.82Å; F60-V63 WeakPolarHBondContact O-CB 3.23Å; F60-V63 PolarHBondContact O-N 3.09Å; V61-V63 VanDerWaalsContact C-N 3.3Å; V61-V63 PolarHBondContact O-N 3.37Å; V63-R65 PolarHBondContact O-N 2.99Å; V63-G66 PolarHBondContact O-N 3.43Å; V63-R68 WeakPolarHBondContact CA-O 3.39Å; V63-R68 HydrophobicContact CG2-CB 3.87Å; V63-R68 HydrophobicContact CG2-CG 4.12Å; V63-P70 HydrophobicContact CG1-CB 3.87Å; V63-P70 HydrophobicContact CG1-CG 4.49Å; V63-E75 HydrophobicContact CB-CG 4.33Å; V63-E75 HydrophobicContact CG1-CB 4.24Å; V63-E75 HydrophobicContact CG2-CB 4.35Å; V63-E75 HydrophobicContact CG2-CG 3.98Å; V63-E75 VanDerWaalsContact CG2-OE1 3.31Å; V63-E75 WeakPolarHBondContact CG2-OE1 3.13Å
64	C	90.5	Very high	91.6	Very high	36 Å²	36	73.5 Å²	73.5	24%	0.243	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-34	177.7	-67.1	0	0	0	0	112.4	D46 F60 V61 G66 W78	D46-C64 VanDerWaalsContact OD1-CB 3.29Å; D46-C64 WeakPolarHBondContact OD1-CB 3.32Å; F60-C64 WeakPolarHBondContact CE1-SG 3.35Å; F60-C64 PolarHBondContact O-N 2.88Å; F60-C64 PolarHBondContact O-SG 3.48Å; V61-C64 WeakPolarHBondContact O-CB 3.41Å; V61-C64 PolarHBondContact O-N 3.34Å; C64-G66 VanDerWaalsContact C-N 3.28Å; C64-G66 PolarHBondContact O-N 3.44Å; C64-W78 VanDerWaalsContact SG-CD1 3.57Å
65	R	90.6	Very high	91.8	Very high	183 Å²	183	71.8 Å²	71.8	69%	0.691	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.3	174.9	-67.1	172.2	-179.6	-155.8	0.9	113.9	V61 A62 V63 E67	V61-R65 WeakPolarHBondContact O-CG 3.05Å; V61-R65 PolarHBondContact O-N 2.97Å; A62-R65 PolarHBondContact O-N 3.33Å; V63-R65 PolarHBondContact O-N 2.99Å; R65-E67 VanDerWaalsContact C-N 3.28Å; R65-E67 HydrophobicContact CB-CG 3.97Å; R65-E67 WeakPolarHBondContact CB-OE2 3.41Å; R65-E67 WeakPolarHBondContact CD-OE2 3.5Å
66	G	89.7	Confident	92	Very high	64 Å²	64	71.9 Å²	71.9	66%	0.66	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	10.4	-175.6	0	0	0	0	0	114.2	A62 V63 C64 R68	A62-G66 PolarHBondContact O-N 3.42Å; V63-G66 PolarHBondContact O-N 3.43Å; C64-G66 VanDerWaalsContact C-N 3.28Å; C64-G66 PolarHBondContact O-N 3.44Å; G66-R68 VanDerWaalsContact C-N 3.27Å
67	E	91.6	Very high	92.3	Very high	140 Å²	140	67.4 Å²	67.4	65%	0.654	34%	0.339	S	S	*	.	S	Bend	trans	-75.8	-21.3	176.9	-60.6	176.8	97	0	0	111.6	A62 R65	A62-E67 HydrophobicContact CB-CB 4.4Å; A62-E67 PolarHBondContact O-N 2.82Å; R65-E67 VanDerWaalsContact C-N 3.28Å; R65-E67 HydrophobicContact CB-CG 3.97Å; R65-E67 WeakPolarHBondContact CB-OE2 3.41Å; R65-E67 WeakPolarHBondContact CD-OE2 3.5Å
68	R	91.2	Very high	92.5	Very high	91 Å²	91	67.4 Å²	67.4	34%	0.343	34%	0.338	S	S	.	.	S	Bend	trans	-138.4	150.4	-177.5	-168.8	-177.7	-176.4	-132.8	7.3	111.3	A62 V63 G66 E75	A62-R68 HydrophobicContact CB-CB 4.25Å; A62-R68 PolarHBondContact O-N 2.96Å; V63-R68 WeakPolarHBondContact CA-O 3.39Å; V63-R68 HydrophobicContact CG2-CB 3.87Å; V63-R68 HydrophobicContact CG2-CG 4.12Å; G66-R68 VanDerWaalsContact C-N 3.27Å; R68-E75 IonicContact NH1-OE1 3.91Å; R68-E75 PolarHBondContact NH1-OE1 3.32Å; R68-E75 IonicContact NH1-OE2 2.79Å
69	E	92.8	Very high	92.6	Very high	164 Å²	164	63 Å²	63	77%	0.766	32%	0.323	S	S	*	.			trans	-79.5	145.7	171.5	-65.8	-171.6	91.8	0	0	112.4	V71	E69-V71 PolarHBondContact O-N 3.01Å
70	P	92.3	Very high	92.7	Very high	43 Å²	43	63.1 Å²	63.1	28%	0.279	32%	0.321	S	S	.	.			trans	-70.8	113.8	-179.9	27.9	-34.4	0	0	0	112	V63 E75 R76	V63-P70 HydrophobicContact CG1-CB 3.87Å; V63-P70 HydrophobicContact CG1-CG 4.49Å; P70-E75 HydrophobicContact CB-CB 3.7Å; P70-R76 HydrophobicContact CB-CB 4.4Å; P70-R76 HydrophobicContact CB-CG 3.77Å; P70-R76 HydrophobicContact CG-CG 4.28Å; P70-R76 WeakPolarHBondContact O-CG 3.21Å; P70-R76 PolarHBondContact O-NE 2.83Å
71	V	91.7	Very high	92.7	Very high	91 Å²	91	63.2 Å²	63.2	55%	0.552	32%	0.321	S	S	*	.			trans	-98.8	-49.5	-178.3	179.5	0	0	0	0	111	E69 E75	E69-V71 PolarHBondContact O-N 3.01Å; V71-E75 PolarHBondContact N-OE2 2.86Å
72	T	91.2	Very high	92.7	Very high	52 Å²	52	63.4 Å²	63.4	32%	0.319	32%	0.321	S	S	.	.	S	Bend	trans	-78.4	160.2	-177.6	63.3	0	0	0	0	112	A74 E75 R76	T72-A74 VanDerWaalsContact C-N 3.27Å; T72-A74 PolarHBondContact O-N 2.91Å; T72-E75 WeakPolarHBondContact CB-OE2 3.42Å; T72-E75 PolarHBondContact N-OE2 3.26Å; T72-E75 PolarHBondContact O-N 2.55Å; T72-E75 WeakPolarHBondContact OG1-CB 3.31Å; T72-E75 WeakPolarHBondContact OG1-CG 3.44Å; T72-E75 PolarHBondContact OG1-N 2.85Å; T72-E75 PolarHBondContact OG1-OE2 2.93Å; T72-R76 WeakPolarHBondContact O-CB 3.35Å; T72-R76 VanDerWaalsContact O-CG 3.27Å; T72-R76 WeakPolarHBondContact O-CG 3.16Å; T72-R76 PolarHBondContact O-N 3.27Å
73	E	91.3	Very high	92.5	Very high	144 Å²	144	66 Å²	66	67%	0.673	34%	0.335	S	S	*	.	H	α-helix	trans	-58.8	-40	176.2	-67.8	-178.2	95.1	0	0	111.7	L34 R76 V77	L34-E73 HydrophobicContact CD2-CB 4.24Å; E73-R76 PolarHBondContact O-N 2.96Å; E73-V77 VanDerWaalsContact O-CB 3.27Å; E73-V77 WeakPolarHBondContact O-CB 3.48Å; E73-V77 WeakPolarHBondContact O-CG2 3.31Å; E73-V77 PolarHBondContact O-N 3.06Å
74	A	91.2	Very high	92.3	Very high	12 Å²	12	70 Å²	70	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-53.2	176.4	0	0	0	0	0	112.3	F5 L34 F42 T72 R76 V77 W78	F5-A74 HydrophobicContact CE2-CB 4.38Å; L34-A74 HydrophobicContact CD2-CB 4.49Å; F42-A74 HydrophobicContact CE1-CB 3.74Å; F42-A74 HydrophobicContact CE2-CB 4.48Å; F42-A74 HydrophobicContact CZ-CB 3.49Å; F42-A74 VanDerWaalsContact CZ-CB 3.49Å; T72-A74 VanDerWaalsContact C-N 3.27Å; T72-A74 PolarHBondContact O-N 2.91Å; A74-R76 VanDerWaalsContact C-N 3.34Å; A74-R76 PolarHBondContact O-N 2.81Å; A74-V77 PolarHBondContact O-N 2.83Å; A74-W78 WeakPolarHBondContact O-CB 3.43Å; A74-W78 PolarHBondContact O-N 3.22Å
75	E	93.8	Very high	92.3	Very high	2 Å²	2	70 Å²	70	1%	0.009	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-44.9	178.5	-70.9	165.8	141.3	0	0	111.4	F60 V63 R68 P70 V71 T72 S79	F60-E75 HydrophobicContact CB-CG 4.27Å; F60-E75 HydrophobicContact CD2-CB 4.43Å; F60-E75 HydrophobicContact CD2-CG 3.81Å; F60-E75 HydrophobicContact CG-CG 4.49Å; V63-E75 HydrophobicContact CB-CG 4.33Å; V63-E75 HydrophobicContact CG1-CB 4.24Å; V63-E75 HydrophobicContact CG2-CB 4.35Å; V63-E75 HydrophobicContact CG2-CG 3.98Å; V63-E75 VanDerWaalsContact CG2-OE1 3.31Å; V63-E75 WeakPolarHBondContact CG2-OE1 3.13Å; R68-E75 IonicContact NH1-OE1 3.91Å; R68-E75 PolarHBondContact NH1-OE1 3.32Å; R68-E75 IonicContact NH1-OE2 2.79Å; P70-E75 HydrophobicContact CB-CB 3.7Å; V71-E75 PolarHBondContact N-OE2 2.86Å; T72-E75 WeakPolarHBondContact CB-OE2 3.42Å; T72-E75 PolarHBondContact N-OE2 3.26Å; T72-E75 PolarHBondContact O-N 2.55Å; T72-E75 WeakPolarHBondContact OG1-CB 3.31Å; T72-E75 WeakPolarHBondContact OG1-CG 3.44Å; T72-E75 PolarHBondContact OG1-N 2.85Å; T72-E75 PolarHBondContact OG1-OE2 2.93Å; E75-S79 VanDerWaalsContact O-CB 3.25Å; E75-S79 WeakPolarHBondContact O-CB 3.39Å; E75-S79 PolarHBondContact O-N 3.41Å; E75-S79 PolarHBondContact O-OG 3.36Å
76	R	94.6	Very high	92.1	Very high	154 Å²	154	68.3 Å²	68.3	58%	0.581	34%	0.344	S	S	*	.	H	α-helix	trans	-64	-47	-179.4	-75	176.7	157.1	-162	-7.8	112.1	P70 T72 E73 A74 S79 K80	P70-R76 HydrophobicContact CB-CB 4.4Å; P70-R76 HydrophobicContact CB-CG 3.77Å; P70-R76 HydrophobicContact CG-CG 4.28Å; P70-R76 WeakPolarHBondContact O-CG 3.21Å; P70-R76 PolarHBondContact O-NE 2.83Å; T72-R76 WeakPolarHBondContact O-CB 3.35Å; T72-R76 VanDerWaalsContact O-CG 3.27Å; T72-R76 WeakPolarHBondContact O-CG 3.16Å; T72-R76 PolarHBondContact O-N 3.27Å; E73-R76 PolarHBondContact O-N 2.96Å; A74-R76 VanDerWaalsContact C-N 3.34Å; A74-R76 PolarHBondContact O-N 2.81Å; R76-S79 PolarHBondContact O-N 3.35Å; R76-K80 VanDerWaalsContact O-CB 3.23Å; R76-K80 WeakPolarHBondContact O-CB 3.37Å; R76-K80 PolarHBondContact O-N 2.9Å
77	V	94.8	Very high	91.4	Very high	4 Å²	4	72 Å²	72	2%	0.024	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-42	-177.8	172	0	0	0	0	111	F27 E31 L34 L35 E73 A74 K80 Y81	F27-V77 HydrophobicContact CD1-CG1 4.48Å; E31-V77 HydrophobicContact CB-CG1 4.15Å; E31-V77 HydrophobicContact CB-CG2 3.68Å; E31-V77 HydrophobicContact CG-CG2 3.47Å; E31-V77 VanDerWaalsContact CG-CG2 3.47Å; L34-V77 HydrophobicContact CD2-CB 4.17Å; L34-V77 HydrophobicContact CD2-CG2 4.05Å; L35-V77 HydrophobicContact CD1-CG1 3.64Å; L35-V77 HydrophobicContact CD2-CG1 3.82Å; L35-V77 HydrophobicContact CG-CG1 3.38Å; E73-V77 VanDerWaalsContact O-CB 3.27Å; E73-V77 WeakPolarHBondContact O-CB 3.48Å; E73-V77 WeakPolarHBondContact O-CG2 3.31Å; E73-V77 PolarHBondContact O-N 3.06Å; A74-V77 PolarHBondContact O-N 2.83Å; V77-K80 WeakPolarHBondContact O-CB 2.9Å; V77-K80 PolarHBondContact O-N 2.93Å; V77-Y81 WeakPolarHBondContact O-CB 3.36Å; V77-Y81 PolarHBondContact O-N 3.34Å
78	W	95.1	Very high	90.4	Very high	2 Å²	2	71 Å²	71	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-45.1	175.8	-173.8	-110.8	0	0	0	112.3	Y11 L35 F42 N43 D46 F60 C64 A74 K80 Y81 M82	Y11-W78 HydrophobicContact CE1-CZ3 4.41Å; L35-W78 HydrophobicContact CD2-CE3 3.92Å; L35-W78 HydrophobicContact CD2-CZ3 4.34Å; F42-W78 HydrophobicContact CB-CD2 3.61Å; F42-W78 HydrophobicContact CB-CE3 3.43Å; F42-W78 VanDerWaalsContact CB-CE3 3.43Å; F42-W78 HydrophobicContact CB-CG 4.16Å; F42-W78 HydrophobicContact CB-CH2 4.21Å; F42-W78 HydrophobicContact CB-CZ2 4.36Å; F42-W78 HydrophobicContact CB-CZ3 3.75Å; F42-W78 HydrophobicContact CD2-CB 4.38Å; F42-W78 HydrophobicContact CD2-CD2 4.45Å; F42-W78 AromaticContact CD2-CE3 3.89Å; F42-W78 HydrophobicContact CD2-CE3 3.89Å; F42-W78 HydrophobicContact CG-CD2 4.36Å; F42-W78 HydrophobicContact CG-CE3 4.1Å; N43-W78 HydrophobicContact CB-CH2 3.67Å; N43-W78 HydrophobicContact CB-CZ2 4.21Å; D46-W78 HydrophobicContact CB-CZ2 3.95Å; F60-W78 HydrophobicContact CE1-CG 4.47Å; F60-W78 HydrophobicContact CE2-CB 3.59Å; F60-W78 AromaticContact CE2-CG 3.92Å; F60-W78 HydrophobicContact CE2-CG 3.92Å; F60-W78 HydrophobicContact CZ-CB 3.62Å; F60-W78 AromaticContact CZ-CD1 3.35Å; F60-W78 HydrophobicContact CZ-CD2 4.1Å; F60-W78 AromaticContact CZ-CG 3.4Å; F60-W78 HydrophobicContact CZ-CG 3.4Å; F60-W78 VanDerWaalsContact CZ-CG 3.4Å; F60-W78 AromaticContact CZ-NE1 3.97Å; C64-W78 VanDerWaalsContact SG-CD1 3.57Å; A74-W78 WeakPolarHBondContact O-CB 3.43Å; A74-W78 PolarHBondContact O-N 3.22Å; W78-K80 VanDerWaalsContact C-N 3.27Å; W78-K80 PolarHBondContact O-N 2.97Å; W78-Y81 HydrophobicContact CD2-CD1 4.2Å; W78-Y81 AromaticContact CE3-CD1 3.6Å; W78-Y81 HydrophobicContact CE3-CD1 3.6Å; W78-Y81 HydrophobicContact CE3-CE1 4.19Å; W78-Y81 HydrophobicContact CE3-CG 4.48Å; W78-Y81 AromaticContact CH2-CD1 3.83Å; W78-Y81 HydrophobicContact CH2-CD1 3.83Å; W78-Y81 AromaticContact CH2-CE1 3.61Å; W78-Y81 HydrophobicContact CH2-CE1 3.61Å; W78-Y81 HydrophobicContact CZ2-CD1 4.4Å; W78-Y81 HydrophobicContact CZ2-CE1 4.38Å; W78-Y81 AromaticContact CZ3-CD1 3.41Å; W78-Y81 HydrophobicContact CZ3-CD1 3.41Å; W78-Y81 VanDerWaalsContact CZ3-CD1 3.41Å; W78-Y81 AromaticContact CZ3-CE1 3.5Å; W78-Y81 HydrophobicContact CZ3-CE1 3.5Å; W78-Y81 HydrophobicContact CZ3-CG 4.5Å; W78-Y81 WeakPolarHBondContact O-CB 3.38Å; W78-Y81 PolarHBondContact O-N 2.82Å; W78-Y81 VanDerWaalsContact O-N 3.09Å; W78-M82 HydrophobicContact CH2-CE 4.03Å; W78-M82 HydrophobicContact CZ2-CE 3.68Å; W78-M82 HydrophobicContact CZ2-CG 4.4Å; W78-M82 HydrophobicContact CZ2-SD 4.37Å; W78-M82 PolarHBondContact O-N 3.03Å
79	S	93.7	Very high	89	Confident	31 Å²	31	74.6 Å²	74.6	22%	0.217	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-41.7	176.2	-60.7	0	0	0	0	111.6	E75 R76 T83	E75-S79 VanDerWaalsContact O-CB 3.25Å; E75-S79 WeakPolarHBondContact O-CB 3.39Å; E75-S79 PolarHBondContact O-N 3.41Å; E75-S79 PolarHBondContact O-OG 3.36Å; R76-S79 PolarHBondContact O-N 3.35Å; S79-T83 WeakPolarHBondContact O-CB 3.49Å; S79-T83 PolarHBondContact O-N 3.15Å; S79-T83 PolarHBondContact O-OG1 3.24Å
80	K	93.9	Very high	87.6	Confident	61 Å²	61	76 Å²	76	27%	0.265	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-47.6	173.8	-177.6	178.1	177.7	-176.3	0	111	D26 F27 E31 R76 V77 W78 T83 R84	D26-K80 WeakPolarHBondContact O-CE 3.24Å; D26-K80 PolarHBondContact O-NZ 3.45Å; F27-K80 HydrophobicContact CD1-CD 4.06Å; F27-K80 HydrophobicContact CD1-CG 4.48Å; F27-K80 HydrophobicContact CE1-CB 4.32Å; F27-K80 HydrophobicContact CE1-CD 3.97Å; F27-K80 HydrophobicContact CE1-CG 3.9Å; E31-K80 IonicContact OE1-NZ 3.86Å; E31-K80 PolarHBondContact OE1-NZ 3.31Å; E31-K80 IonicContact OE2-NZ 2.99Å; E31-K80 PolarHBondContact OE2-NZ 2.93Å; R76-K80 VanDerWaalsContact O-CB 3.23Å; R76-K80 WeakPolarHBondContact O-CB 3.37Å; R76-K80 PolarHBondContact O-N 2.9Å; V77-K80 WeakPolarHBondContact O-CB 2.9Å; V77-K80 PolarHBondContact O-N 2.93Å; W78-K80 VanDerWaalsContact C-N 3.27Å; W78-K80 PolarHBondContact O-N 2.97Å; K80-T83 PolarHBondContact O-N 2.93Å; K80-R84 WeakPolarHBondContact O-CB 3.4Å; K80-R84 WeakPolarHBondContact O-CG 3.12Å; K80-R84 PolarHBondContact O-N 2.82Å
81	Y	94.3	Very high	86.3	Confident	4 Å²	4	82.4 Å²	82.4	2%	0.016	38%	0.384	C	S	.	.	H	α-helix	trans	-59.1	-50	176.6	168.6	-107.2	0	0	0	112.5	Y11 D13 Y17 F21 F27 L35 V77 W78 T83 R84 I85	Y11-Y81 HydrophobicContact CE1-CE1 4.18Å; Y11-Y81 AromaticContact CE1-CZ 3.95Å; Y11-Y81 PolarHBondContact OH-OH 3.17Å; D13-Y81 HydrophobicContact CB-CE2 4.27Å; D13-Y81 WeakPolarHBondContact CB-OH 3.26Å; D13-Y81 VanDerWaalsContact CG-OH 3.27Å; D13-Y81 WeakPolarHBondContact OD2-CE2 3.32Å; D13-Y81 PolarHBondContact OD2-OH 2.86Å; Y17-Y81 HydrophobicContact CD2-CE2 4.12Å; Y17-Y81 AromaticContact CE2-CD2 3.91Å; Y17-Y81 HydrophobicContact CE2-CD2 3.91Å; Y17-Y81 AromaticContact CE2-CE2 3.83Å; Y17-Y81 HydrophobicContact CE2-CE2 3.83Å; F21-Y81 AromaticContact CE1-CD2 3.88Å; F21-Y81 HydrophobicContact CE1-CD2 3.88Å; F21-Y81 AromaticContact CE1-CE2 3.69Å; F21-Y81 HydrophobicContact CE1-CE2 3.69Å; F21-Y81 HydrophobicContact CZ-CE2 4.28Å; F27-Y81 HydrophobicContact CZ-CD2 4.17Å; L35-Y81 HydrophobicContact CD2-CG 4.36Å; V77-Y81 WeakPolarHBondContact O-CB 3.36Å; V77-Y81 PolarHBondContact O-N 3.34Å; W78-Y81 HydrophobicContact CD2-CD1 4.2Å; W78-Y81 AromaticContact CE3-CD1 3.6Å; W78-Y81 HydrophobicContact CE3-CD1 3.6Å; W78-Y81 HydrophobicContact CE3-CE1 4.19Å; W78-Y81 HydrophobicContact CE3-CG 4.48Å; W78-Y81 AromaticContact CH2-CD1 3.83Å; W78-Y81 HydrophobicContact CH2-CD1 3.83Å; W78-Y81 AromaticContact CH2-CE1 3.61Å; W78-Y81 HydrophobicContact CH2-CE1 3.61Å; W78-Y81 HydrophobicContact CZ2-CD1 4.4Å; W78-Y81 HydrophobicContact CZ2-CE1 4.38Å; W78-Y81 AromaticContact CZ3-CD1 3.41Å; W78-Y81 HydrophobicContact CZ3-CD1 3.41Å; W78-Y81 VanDerWaalsContact CZ3-CD1 3.41Å; W78-Y81 AromaticContact CZ3-CE1 3.5Å; W78-Y81 HydrophobicContact CZ3-CE1 3.5Å; W78-Y81 HydrophobicContact CZ3-CG 4.5Å; W78-Y81 WeakPolarHBondContact O-CB 3.38Å; W78-Y81 PolarHBondContact O-N 2.82Å; W78-Y81 VanDerWaalsContact O-N 3.09Å; Y81-T83 VanDerWaalsContact C-N 3.33Å; Y81-T83 PolarHBondContact O-N 3.09Å; Y81-R84 PolarHBondContact O-N 2.71Å; Y81-I85 HydrophobicContact CD2-CG2 3.86Å; Y81-I85 HydrophobicContact CE1-CD1 3.93Å; Y81-I85 HydrophobicContact CE2-CD1 4.41Å; Y81-I85 HydrophobicContact CE2-CG2 3.42Å; Y81-I85 VanDerWaalsContact CE2-CG2 3.42Å; Y81-I85 PolarHBondContact O-N 3.11Å
82	M	92.4	Very high	85.1	Confident	21 Å²	21	85.7 Å²	85.7	10%	0.103	39%	0.392	C	S	.	.	H	α-helix	trans	-54.9	-48	174.9	-80.2	-65.3	104.3	0	0	112.1	W78 R84 I85 K86	W78-M82 HydrophobicContact CH2-CE 4.03Å; W78-M82 HydrophobicContact CZ2-CE 3.68Å; W78-M82 HydrophobicContact CZ2-CG 4.4Å; W78-M82 HydrophobicContact CZ2-SD 4.37Å; W78-M82 PolarHBondContact O-N 3.03Å; M82-R84 VanDerWaalsContact C-N 3.29Å; M82-R84 PolarHBondContact O-N 2.79Å; M82-I85 HydrophobicContact CE-CD1 3.36Å; M82-I85 HydrophobicContact CE-CG1 4.03Å; M82-I85 PolarHBondContact O-N 3.47Å; M82-I85 HydrophobicContact SD-CD1 4.48Å; M82-K86 WeakPolarHBondContact O-CB 3.45Å; M82-K86 WeakPolarHBondContact O-CG 3.29Å; M82-K86 PolarHBondContact O-N 3.33Å
83	T	90.9	Very high	83.8	Confident	75 Å²	75	87.6 Å²	87.6	46%	0.46	40%	0.404	S	S	.	.	H	α-helix	trans	-61.8	-38.4	177.6	-58.5	0	0	0	0	111.7	S79 K80 Y81 R87	S79-T83 WeakPolarHBondContact O-CB 3.49Å; S79-T83 PolarHBondContact O-N 3.15Å; S79-T83 PolarHBondContact O-OG1 3.24Å; K80-T83 PolarHBondContact O-N 2.93Å; Y81-T83 VanDerWaalsContact C-N 3.33Å; Y81-T83 PolarHBondContact O-N 3.09Å; T83-R87 WeakPolarHBondContact O-CG 3.49Å; T83-R87 PolarHBondContact O-N 2.93Å
84	R	90.3	Very high	82.5	Confident	95 Å²	95	89.6 Å²	89.6	36%	0.358	42%	0.419	S	S	.	.	H	α-helix	trans	-70	-43.2	-178.9	-70.3	-72.9	173.4	163.5	-4.2	112.4	Y17 D26 K80 Y81 M82	Y17-R84 WeakPolarHBondContact OH-CB 3.44Å; D26-R84 IonicContact OD1-CZ 2.73Å; D26-R84 VanDerWaalsContact OD1-CZ 3.28Å; D26-R84 IonicContact OD1-NE 3.12Å; D26-R84 IonicContact OD1-NH1 2.86Å; D26-R84 PolarHBondContact OD1-NH1 3.13Å; K80-R84 WeakPolarHBondContact O-CB 3.4Å; K80-R84 WeakPolarHBondContact O-CG 3.12Å; K80-R84 PolarHBondContact O-N 2.82Å; Y81-R84 PolarHBondContact O-N 2.71Å; M82-R84 VanDerWaalsContact C-N 3.29Å; M82-R84 PolarHBondContact O-N 2.79Å
85	I	90	Very high	81.1	Confident	36 Å²	36	93.4 Å²	93.4	19%	0.185	44%	0.444	C	S	.	.	H	α-helix	trans	-78.8	-28.5	-178.8	71.9	168.3	0	0	0	113	H16 Y17 Y81 M82 R87	H16-I85 HydrophobicContact CB-CB 4.44Å; H16-I85 HydrophobicContact CB-CG2 3.71Å; Y17-I85 HydrophobicContact CE2-CG2 3.98Å; Y81-I85 HydrophobicContact CD2-CG2 3.86Å; Y81-I85 HydrophobicContact CE1-CD1 3.93Å; Y81-I85 HydrophobicContact CE2-CD1 4.41Å; Y81-I85 HydrophobicContact CE2-CG2 3.42Å; Y81-I85 VanDerWaalsContact CE2-CG2 3.42Å; Y81-I85 PolarHBondContact O-N 3.11Å; M82-I85 HydrophobicContact CE-CD1 3.36Å; M82-I85 HydrophobicContact CE-CG1 4.03Å; M82-I85 PolarHBondContact O-N 3.47Å; M82-I85 HydrophobicContact SD-CD1 4.48Å; I85-R87 VanDerWaalsContact C-N 3.34Å
86	K	86.7	Confident	79.2	Confident	149 Å²	149	97.5 Å²	97.5	65%	0.648	49%	0.488	S	S	*	.	H	α-helix	trans	-78.4	-16.8	177.1	-69.8	179.3	-177.3	178.9	0	112.9	M82	M82-K86 WeakPolarHBondContact O-CB 3.45Å; M82-K86 WeakPolarHBondContact O-CG 3.29Å; M82-K86 PolarHBondContact O-N 3.33Å
87	R	76.3	Confident	77.1	Confident	140 Å²	140	92.8 Å²	92.8	53%	0.528	49%	0.487	S	S	.	.	S	Bend	trans	-59.3	123.8	177.5	-88.7	166.7	-174.1	-158.7	-0.5	109.9	T83 I85 K89	T83-R87 WeakPolarHBondContact O-CG 3.49Å; T83-R87 PolarHBondContact O-N 2.93Å; I85-R87 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3.15Å
88	P	68.8	Low	75	Confident	119 Å²	119	101.9 Å²	101.9	77%	0.773	53%	0.526	S	S	*	.			trans	-60.1	130.2	172.8	24.4	-31.4	0	0	0	108.3	R90	P88-R90 PolarHBondContact O-N 3.42Å
89	K	63.2	Low	73	Confident	167 Å²	167	106.3 Å²	106.3	73%	0.726	56%	0.555	S	S	*	*			trans	-61.8	107.3	170.6	-70.4	-168.9	-175.3	-172.9	0	106.7	R87 F91	R87-K89 PolarHBondContact O-N 3.15Å; K89-F91 VanDerWaalsContact O-CD2 3.26Å; K89-F91 WeakPolarHBondContact O-CD2 3.45Å; K89-F91 PolarHBondContact O-N 3.19Å
90	R	63.5	Low	71.1	Confident	194 Å²	194	113.4 Å²	113.4	73%	0.732	59%	0.585	S	S	*	*			trans	-67.8	101.2	175.1	-166.5	168.2	-175.8	168	0	107.1	P88 H92	P88-R90 PolarHBondContact O-N 3.42Å; R90-H92 PolarHBondContact O-N 3.01Å; R90-H92 VanDerWaalsContact O-N 3.14Å
91	F	65.2	Low	69.3	Low	178 Å²	178	116.8 Å²	116.8	78%	0.781	61%	0.61	S	S	*	*			trans	-66.3	112.2	170.9	-68.2	-84.8	0	0	0	107.4	K89 T93	K89-F91 VanDerWaalsContact O-CD2 3.26Å; K89-F91 WeakPolarHBondContact O-CD2 3.45Å; K89-F91 PolarHBondContact O-N 3.19Å; F91-T93 VanDerWaalsContact C-N 3.29Å; F91-T93 PolarHBondContact O-N 2.92Å; F91-T93 VanDerWaalsContact O-N 3.17Å
92	H	66.1	Low	67.2	Low	159 Å²	159	125.3 Å²	125.3	74%	0.736	65%	0.65	S	S	*	*			trans	-79	88.7	161.8	-68.8	-75.8	0	0	0	106.4	R90 L94	R90-H92 PolarHBondContact O-N 3.01Å; R90-H92 VanDerWaalsContact O-N 3.14Å; H92-L94 PolarHBondContact O-N 2.73Å
93	T	63.6	Low	65.1	Low	93 Å²	93	127 Å²	127	57%	0.571	67%	0.672	S	S	*	*			trans	-62.2	122.9	165	52.7	0	0	0	0	106.9	F91 S95	F91-T93 VanDerWaalsContact C-N 3.29Å; F91-T93 PolarHBondContact O-N 2.92Å; F91-T93 VanDerWaalsContact O-N 3.17Å; T93-S95 PolarHBondContact O-N 3.24Å; T93-S95 VanDerWaalsContact O-N 3.09Å; T93-S95 PolarHBondContact OG1-O 2.79Å
94	L	63.2	Low	63	Low	186 Å²	186	128.1 Å²	128.1	97%	0.974	69%	0.689	S	S	*	*	S	Bend	trans	-67.3	-2.4	173.2	-73.8	168.9	0	0	0	112.5	H92	H92-L94 PolarHBondContact O-N 2.73Å
95	S	62.4	Low	61	Low	91 Å²	91	130.6 Å²	130.6	64%	0.636	71%	0.705	S	S	*	*	S	Bend	trans	-90	116.2	164	-36.8	0	0	0	0	107.6	T93 G97	T93-S95 PolarHBondContact O-N 3.24Å; T93-S95 VanDerWaalsContact O-N 3.09Å; T93-S95 PolarHBondContact OG1-O 2.79Å; S95-G97 PolarHBondContact O-N 3.2Å
96	G	54	Low	59.2	Low	89 Å²	89	135.8 Å²	135.8	92%	0.918	73%	0.733	S	S	*	*			trans	-66.6	47.5	179.7	0	0	0	0	0	115.2	K98	G96-K98 PolarHBondContact O-N 3.06Å
97	G	50.6	Low	57.5	Low	55 Å²	55	137.5 Å²	137.5	57%	0.567	74%	0.737	S	S	*	*			trans	-74.9	116	167.7	0	0	0	0	0	108.9	S95	S95-G97 PolarHBondContact O-N 3.2Å
98	K	50.3	Low	56.8	Low	194 Å²	194	136.2 Å²	136.2	84%	0.843	75%	0.745	S	S	*	*			trans	-47.7	130.8	178.2	-75	172.2	137.8	-173.6	0	110.5	G96 Q100	G96-K98 PolarHBondContact O-N 3.06Å; K98-Q100 PolarHBondContact O-N 2.86Å
99	P	53.5	Low	56.2	Low	95 Å²	95	138.2 Å²	138.2	62%	0.617	75%	0.749	S	S	*	*			trans	-60.6	115.5	172.4	24.3	-31.1	0	0	0	108.2	V101	P99-V101 VanDerWaalsContact C-N 3.27Å; P99-V101 PolarHBondContact O-N 3.01Å
100	Q	53.3	Low	55.5	Low	180 Å²	180	135.3 Å²	135.3	84%	0.841	75%	0.75	S	S	*	*			trans	-62.5	100.8	161.4	-80.4	177.1	-24.9	0	0	105.6	K98 E102	K98-Q100 PolarHBondContact O-N 2.86Å; Q100-E102 PolarHBondContact O-N 3.46Å
101	V	56.1	Low	54.9	Low	132 Å²	132	133.6 Å²	133.6	80%	0.8	76%	0.755	S	S	*	*			trans	-67	94.3	162	-76.9	0	0	0	0	105.3	P99 G103	P99-V101 VanDerWaalsContact C-N 3.27Å; P99-V101 PolarHBondContact O-N 3.01Å; V101-G103 PolarHBondContact O-N 3.03Å
102	E	50.2	Low	54.2	Low	184 Å²	184	136.3 Å²	136.3	86%	0.86	78%	0.778	S	S	*	*			trans	-67.9	74.5	159	-70.6	177.7	114.4	0	0	106.1	Q100 A104	Q100-E102 PolarHBondContact O-N 3.46Å; E102-A104 PolarHBondContact O-N 3.17Å
103	G	48.6	Very low	53.6	Low	55 Å²	55	135.2 Å²	135.2	57%	0.567	78%	0.78	S	S	*	*			trans	-68.3	107.3	164.5	0	0	0	0	0	106	V101 E105	V101-G103 PolarHBondContact O-N 3.03Å; G103-E105 PolarHBondContact O-N 3.14Å
104	A	47.5	Very low	53.1	Low	99 Å²	99	137.4 Å²	137.4	82%	0.818	79%	0.791	S	S	*	*			trans	-47.4	114.7	172.8	0	0	0	0	0	109.3	E102 D106	E102-A104 PolarHBondContact O-N 3.17Å; A104-D106 VanDerWaalsContact C-N 3.34Å; A104-D106 PolarHBondContact O-N 3.44Å
105	E	49.1	Very low	52.5	Low	147 Å²	147	134.7 Å²	134.7	69%	0.687	78%	0.781	S	S	*	*			trans	-76	86.6	177.6	-47.3	-179.5	119.6	0	0	107.3	G103 Y107	G103-E105 PolarHBondContact O-N 3.14Å; E105-Y107 HydrophobicContact CB-CD2 3.65Å; E105-Y107 HydrophobicContact CB-CE2 3.32Å; E105-Y107 HydrophobicContact CG-CE2 4.16Å; E105-Y107 WeakPolarHBondContact O-CD2 3.34Å; E105-Y107 PolarHBondContact O-N 2.73Å
106	D	51.5	Low	51.9	Low	145 Å²	145	137.3 Å²	137.3	78%	0.775	79%	0.789	S	S	*	*			trans	-79.1	84.2	171.1	-154.7	-93.9	0	0	0	108.2	A104 T108	A104-D106 VanDerWaalsContact C-N 3.34Å; A104-D106 PolarHBondContact O-N 3.44Å; D106-T108 PolarHBondContact O-N 3.25Å; D106-T108 VanDerWaalsContact O-N 3.09Å
107	Y	51.2	Low	51.8	Low	186 Å²	186	140.3 Å²	140.3	73%	0.729	78%	0.781	S	S	*	*			trans	-69.2	89.7	170.1	-73.6	-89.9	0	0	0	109	E105	E105-Y107 HydrophobicContact CB-CD2 3.65Å; E105-Y107 HydrophobicContact CB-CE2 3.32Å; E105-Y107 HydrophobicContact CG-CE2 4.16Å; E105-Y107 WeakPolarHBondContact O-CD2 3.34Å; E105-Y107 PolarHBondContact O-N 2.73Å
108	T	60.8	Low	51.9	Low	112 Å²	112	146 Å²	146	69%	0.687	80%	0.796	S	S	*	*			trans	-92.9	100.1	156.7	-77.5	0	0	0	0	108.1	D106 S110	D106-T108 PolarHBondContact O-N 3.25Å; D106-T108 VanDerWaalsContact O-N 3.09Å; T108-S110 PolarHBondContact O-N 3.09Å
109	D	55.6	Low	52	Low	162 Å²	162	142.6 Å²	142.6	87%	0.866	79%	0.792	S	S	*	*			trans	-57.7	112.7	164.5	-174.7	-122.5	0	0	0	108.8
110	S	50	Low	51.9	Low	105 Å²	105	146.2 Å²	146.2	73%	0.734	81%	0.806	S	S	*	*			trans	-106.4	101.9	-177	-166	0	0	0	0	109.2	T108	T108-S110 PolarHBondContact O-N 3.09Å
111	D	49.5	Very low	51.7	Low	158 Å²	158	143.4 Å²	143.4	85%	0.845	80%	0.803	S	S	*	*			trans	51.4	92.4	131	-139.5	-110.3	0	0	0	117.6
112	D	50.9	Low	51.3	Low	236 Å²	236	144.5 Å²	144.5	100%	1.262	80%	0.803	S	S	*	*			trans	-168.4	0	132.1	-169.2	-123.9	0	0	0	111.2

Retrieved 112 of 112 residues in 661.3 ms (Link to these results)

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