A0A087XS34_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A087XS34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 93 aa.

						>A0A087XS34_POEFO|A0A087XS34
MRILNTAVGFPAGIGAFLKNAWNKEPVILVSCGIGLVGIILPFISPYSKYAGMINQVTPYNYPVPVRDDGNMPDVPSHPCEAKGRSLEWLKKL
					

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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	41.8	Very low	51.1	Low	230 Å²	230	142.8 Å²	142.8	100%	1.133	77%	0.773	S	S	*	*				0	102.9	0	-167.3	161.6	-173.7	0	0	108.4
2	R	39.5	Very low	53.2	Low	257 Å²	257	135.3 Å²	135.3	97%	0.97	75%	0.745	S	S	*	*			trans	-144.5	67.3	170.6	-148	179.7	-156.6	177.9	6	108.2
3	I	48.6	Very low	55.5	Low	136 Å²	136	127.8 Å²	127.8	70%	0.697	72%	0.718	S	S	*	*			trans	-104.2	137.3	172.4	-35	175.7	0	0	0	103.8
4	L	52.5	Low	57.7	Low	167 Å²	167	124.1 Å²	124.1	87%	0.874	70%	0.695	S	S	*	*			trans	88.2	75.9	169.9	-50.1	162.1	0	0	0	117.8
5	N	48.2	Very low	59.7	Low	156 Å²	156	118.5 Å²	118.5	83%	0.834	68%	0.675	S	S	*	*			trans	-174.4	115	140.4	-130.2	2.1	0	0	0	105.8
6	T	45.9	Very low	61.5	Low	103 Å²	103	115.1 Å²	115.1	63%	0.632	67%	0.666	S	S	*	*				-160.1	149.5	50.2	40.2	0	0	0	0	109.4	V8	T6-V8 VanDerWaalsContact C-N 3.28Å; T6-V8 PolarHBondContact O-N 2.87Å
7	A	48.9	Very low	63.1	Low	111 Å²	111	116.4 Å²	116.4	92%	0.917	66%	0.662	S	S	*	*			trans	-62	88.5	165.3	0	0	0	0	0	109.8
8	V	54.3	Low	64.6	Low	86 Å²	86	114.3 Å²	114.3	52%	0.521	65%	0.649	S	S	.	*			trans	-85.9	111.6	161.9	-148.5	0	0	0	0	104.6	T6 F10 A12	T6-V8 VanDerWaalsContact C-N 3.28Å; T6-V8 PolarHBondContact O-N 2.87Å; V8-F10 PolarHBondContact O-N 3.11Å; V8-A12 HydrophobicContact CG1-CB 3.4Å
9	G	54.8	Low	66	Low	47 Å²	47	116.3 Å²	116.3	49%	0.485	65%	0.649	S	S	.	*			trans	-47.3	142	-179	0	0	0	0	0	110.6	P11 A12 G13	G9-P11 WeakPolarHBondContact O-CD 3.26Å; G9-A12 PolarHBondContact O-N 2.89Å; G9-G13 PolarHBondContact O-N 3.49Å
10	F	58.5	Low	67.3	Low	173 Å²	173	114.2 Å²	114.2	76%	0.759	64%	0.637	S	S	*	*	H	α-helix	trans	-31.7	-47.5	-177.5	-172.7	-102.6	0	0	0	115.5	V8 A12 G13 I14	V8-F10 PolarHBondContact O-N 3.11Å; F10-A12 PolarHBondContact O-N 3.15Å; F10-G13 PolarHBondContact O-N 2.74Å; F10-I14 HydrophobicContact CD1-CD1 3.76Å; F10-I14 HydrophobicContact CE1-CD1 3.44Å; F10-I14 VanDerWaalsContact CE1-CD1 3.44Å; F10-I14 HydrophobicContact CE2-CD1 4.25Å; F10-I14 HydrophobicContact CG-CD1 4.31Å; F10-I14 HydrophobicContact CZ-CD1 3.71Å; F10-I14 WeakPolarHBondContact O-CG1 3.23Å; F10-I14 PolarHBondContact O-N 2.77Å
11	P	69.4	Low	68.5	Low	105 Å²	105	109.5 Å²	109.5	68%	0.682	61%	0.613	S	S	*	*	H	α-helix	trans	-63.1	-35.9	177.7	21.1	-32.9	0	0	0	115.3	G9 G15	G9-P11 WeakPolarHBondContact O-CD 3.26Å; P11-G15 PolarHBondContact O-N 2.85Å
12	A	75.9	Confident	70.9	Confident	53 Å²	53	105.3 Å²	105.3	44%	0.438	58%	0.584	S	S	.	*	H	α-helix	trans	-79.4	-26	-176.6	0	0	0	0	0	112.9	V8 G9 F10 A16	V8-A12 HydrophobicContact CG1-CB 3.4Å; G9-A12 PolarHBondContact O-N 2.89Å; F10-A12 PolarHBondContact O-N 3.15Å; A12-A16 PolarHBondContact O-N 3.47Å
13	G	82.8	Confident	73.6	Confident	38 Å²	38	98.7 Å²	98.7	39%	0.392	57%	0.568	S	S	.	*	H	α-helix	trans	-69	-39.8	170.7	0	0	0	0	0	113.2	G9 F10 A16 F17	G9-G13 PolarHBondContact O-N 3.49Å; F10-G13 PolarHBondContact O-N 2.74Å; G13-A16 PolarHBondContact O-N 3.15Å; G13-F17 PolarHBondContact O-N 2.75Å; G13-F17 VanDerWaalsContact O-N 3.16Å
14	I	86.5	Confident	75.7	Confident	76 Å²	76	99.4 Å²	99.4	39%	0.39	57%	0.566	S	S	.	*	H	α-helix	trans	-66	-44.4	179.2	-66.9	166.1	0	0	0	111.1	F10 A16 F17 L18	F10-I14 HydrophobicContact CD1-CD1 3.76Å; F10-I14 HydrophobicContact CE1-CD1 3.44Å; F10-I14 VanDerWaalsContact CE1-CD1 3.44Å; F10-I14 HydrophobicContact CE2-CD1 4.25Å; F10-I14 HydrophobicContact CG-CD1 4.31Å; F10-I14 HydrophobicContact CZ-CD1 3.71Å; F10-I14 WeakPolarHBondContact O-CG1 3.23Å; F10-I14 PolarHBondContact O-N 2.77Å; I14-A16 PolarHBondContact O-N 3.04Å; I14-F17 PolarHBondContact O-N 3.14Å; I14-L18 HydrophobicContact CG2-CD1 3.64Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CG 3.34Å; I14-L18 PolarHBondContact O-N 3.3Å
15	G	87	Confident	77.6	Confident	39 Å²	39	96.9 Å²	96.9	40%	0.402	55%	0.55	S	S	.	*	H	α-helix	trans	-61.8	-40.6	178.3	0	0	0	0	0	113.4	P11 K19	P11-G15 PolarHBondContact O-N 2.85Å; G15-K19 PolarHBondContact O-N 2.97Å; G15-K19 VanDerWaalsContact O-N 3.09Å
16	A	89.6	Confident	79.7	Confident	65 Å²	65	92.1 Å²	92.1	54%	0.537	53%	0.528	S	S	.	.	H	α-helix	trans	-65.5	-39.9	176.3	0	0	0	0	0	112.2	A12 G13 I14 N20	A12-A16 PolarHBondContact O-N 3.47Å; G13-A16 PolarHBondContact O-N 3.15Å; I14-A16 PolarHBondContact O-N 3.04Å; A16-N20 WeakPolarHBondContact O-CB 3.42Å; A16-N20 PolarHBondContact O-N 3.26Å; A16-N20 VanDerWaalsContact O-N 3.11Å
17	F	89.1	Confident	82.1	Confident	136 Å²	136	92.9 Å²	92.9	60%	0.596	53%	0.532	S	S	*	.	H	α-helix	trans	-64.1	-49.1	175	174.8	-97.1	0	0	0	112	G13 I14 K19 N20 A21	G13-F17 PolarHBondContact O-N 2.75Å; G13-F17 VanDerWaalsContact O-N 3.16Å; I14-F17 PolarHBondContact O-N 3.14Å; F17-K19 VanDerWaalsContact C-N 3.33Å; F17-K19 PolarHBondContact O-N 3.12Å; F17-N20 PolarHBondContact O-N 3.17Å; F17-N20 VanDerWaalsContact O-N 3.15Å; F17-A21 HydrophobicContact CE1-CB 4.36Å; F17-A21 HydrophobicContact CZ-CB 4.44Å; F17-A21 WeakPolarHBondContact O-CB 3.03Å; F17-A21 PolarHBondContact O-N 3.27Å
18	L	90.1	Very high	84.3	Confident	80 Å²	80	92 Å²	92	42%	0.419	51%	0.51	S	S	.	.	H	α-helix	trans	-57.2	-44.7	178.7	-75.5	159.9	0	0	0	111.8	I14 N20 A21 W22 L29	I14-L18 HydrophobicContact CG2-CD1 3.64Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CG 3.34Å; I14-L18 PolarHBondContact O-N 3.3Å; L18-N20 PolarHBondContact O-N 3.21Å; L18-A21 PolarHBondContact O-N 3.4Å; L18-W22 WeakPolarHBondContact O-CB 2.78Å; L18-W22 PolarHBondContact O-N 3.16Å; L18-L29 HydrophobicContact CD2-CD1 4.17Å
19	K	90.9	Very high	86.2	Confident	151 Å²	151	89.9 Å²	89.9	66%	0.657	50%	0.496	S	S	*	.	H	α-helix	trans	-63.1	-41.5	176.9	-174.5	175.8	-179.8	178.6	0	112.2	G15 F17 N23	G15-K19 PolarHBondContact O-N 2.97Å; G15-K19 VanDerWaalsContact O-N 3.09Å; F17-K19 VanDerWaalsContact C-N 3.33Å; F17-K19 PolarHBondContact O-N 3.12Å; K19-N23 PolarHBondContact O-N 2.92Å; K19-N23 PolarHBondContact O-ND2 3.24Å
20	N	92	Very high	88.2	Confident	74 Å²	74	90.5 Å²	90.5	40%	0.396	49%	0.49	S	S	.	.	H	α-helix	trans	-67.1	-42.7	176.4	173.2	75.2	0	0	0	112	A16 F17 L18 N23 K24	A16-N20 WeakPolarHBondContact O-CB 3.42Å; A16-N20 PolarHBondContact O-N 3.26Å; A16-N20 VanDerWaalsContact O-N 3.11Å; F17-N20 PolarHBondContact O-N 3.17Å; F17-N20 VanDerWaalsContact O-N 3.15Å; L18-N20 PolarHBondContact O-N 3.21Å; N20-N23 PolarHBondContact O-N 3.2Å; N20-K24 PolarHBondContact O-N 3.21Å; N20-K24 VanDerWaalsContact O-N 3.07Å; N20-K24 VanDerWaalsContact OD1-CE 3.27Å; N20-K24 WeakPolarHBondContact OD1-CE 3.32Å
21	A	91.4	Very high	90	Very high	16 Å²	16	85.4 Å²	85.4	13%	0.132	48%	0.476	C	S	.	.	H	α-helix	trans	-67.3	-35.8	179.2	0	0	0	0	0	112.2	F17 L18 N23 K24 E25 L29	F17-A21 HydrophobicContact CE1-CB 4.36Å; F17-A21 HydrophobicContact CZ-CB 4.44Å; F17-A21 WeakPolarHBondContact O-CB 3.03Å; F17-A21 PolarHBondContact O-N 3.27Å; L18-A21 PolarHBondContact O-N 3.4Å; A21-N23 VanDerWaalsContact C-N 3.34Å; A21-N23 PolarHBondContact O-N 3.46Å; A21-K24 PolarHBondContact O-N 3.43Å; A21-E25 CarbonylContact O-C 3.26Å; A21-E25 VanDerWaalsContact O-C 3.26Å; A21-E25 WeakPolarHBondContact O-CA 3.26Å; A21-E25 PolarHBondContact O-N 3.01Å; A21-L29 HydrophobicContact CB-CD1 3.47Å; A21-L29 VanDerWaalsContact CB-CD1 3.47Å
22	W	93.8	Very high	91.2	Very high	142 Å²	142	84 Å²	84	54%	0.538	47%	0.468	S	S	.	.	H	α-helix	trans	-61	-40.2	170.8	-173.7	-94.2	0	0	0	112.9	L18 P26 L29 V30	L18-W22 WeakPolarHBondContact O-CB 2.78Å; L18-W22 PolarHBondContact O-N 3.16Å; W22-P26 WeakPolarHBondContact O-CB 3.47Å; W22-L29 HydrophobicContact CB-CD2 4.35Å; W22-L29 HydrophobicContact CE3-CD2 3.54Å; W22-L29 HydrophobicContact CZ3-CD2 4.24Å; W22-V30 HydrophobicContact CE3-CG2 4.42Å; W22-V30 HydrophobicContact CH2-CG2 3.91Å; W22-V30 HydrophobicContact CZ3-CG2 3.49Å; W22-V30 VanDerWaalsContact CZ3-CG2 3.49Å
23	N	94.6	Very high	92.2	Very high	118 Å²	118	83 Å²	83	63%	0.631	46%	0.464	S	S	*	.	H	α-helix	trans	-77.1	-27.4	-177.8	-71.4	-14.1	0	0	0	113.6	K19 N20 A21	K19-N23 PolarHBondContact O-N 2.92Å; K19-N23 PolarHBondContact O-ND2 3.24Å; N20-N23 PolarHBondContact O-N 3.2Å; A21-N23 VanDerWaalsContact C-N 3.34Å; A21-N23 PolarHBondContact O-N 3.46Å
24	K	93.3	Very high	92.8	Very high	152 Å²	152	86.8 Å²	86.8	66%	0.661	47%	0.474	S	S	*	.	H	α-helix	trans	-97	-45.3	-177.3	-69.5	-172	176.5	-172.8	0	112.9	N20 A21	N20-K24 PolarHBondContact O-N 3.21Å; N20-K24 VanDerWaalsContact O-N 3.07Å; N20-K24 VanDerWaalsContact OD1-CE 3.27Å; N20-K24 WeakPolarHBondContact OD1-CE 3.32Å; A21-K24 PolarHBondContact O-N 3.43Å
25	E	93.6	Very high	93.3	Very high	114 Å²	114	85 Å²	85	53%	0.533	47%	0.473	S	S	.	.			trans	-137	63	-171.1	-63.8	-177.1	179.5	0	0	110.8	A21 V27 I28 L29	A21-E25 CarbonylContact O-C 3.26Å; A21-E25 VanDerWaalsContact O-C 3.26Å; A21-E25 WeakPolarHBondContact O-CA 3.26Å; A21-E25 PolarHBondContact O-N 3.01Å; E25-V27 VanDerWaalsContact C-N 3.27Å; E25-V27 PolarHBondContact O-N 3.23Å; E25-I28 HydrophobicContact CB-CB 4.34Å; E25-I28 HydrophobicContact CB-CD1 4.27Å; E25-I28 PolarHBondContact O-N 3.34Å; E25-I28 WeakPolarHBondContact OE2-CD1 3.42Å; E25-L29 PolarHBondContact O-N 3.26Å; E25-L29 VanDerWaalsContact O-N 3.13Å
26	P	91.9	Very high	93.8	Very high	56 Å²	56	88.3 Å²	88.3	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-61.2	-35.9	-174.6	22.5	-32.7	0	0	0	112.7	W22 I28 L29 V30	W22-P26 WeakPolarHBondContact O-CB 3.47Å; P26-I28 PolarHBondContact O-N 3.47Å; P26-L29 PolarHBondContact O-N 3.46Å; P26-V30 WeakPolarHBondContact O-CB 3.26Å; P26-V30 VanDerWaalsContact O-CG2 3.26Å; P26-V30 WeakPolarHBondContact O-CG2 3.48Å; P26-V30 PolarHBondContact O-N 3.2Å
27	V	96.1	Very high	94.2	Very high	119 Å²	119	89.3 Å²	89.3	72%	0.721	48%	0.48	S	S	*	.	H	α-helix	trans	-62.7	-45.1	-179.5	-180	0	0	0	0	111	E25 S31	E25-V27 VanDerWaalsContact C-N 3.27Å; E25-V27 PolarHBondContact O-N 3.23Å; V27-S31 WeakPolarHBondContact O-CB 3.41Å; V27-S31 PolarHBondContact O-N 3.41Å; V27-S31 PolarHBondContact O-OG 2.73Å
28	I	94.6	Very high	94.5	Very high	91 Å²	91	85 Å²	85	47%	0.467	47%	0.474	S	S	.	.	H	α-helix	trans	-67.1	-46.2	179.9	-64.7	171.5	0	0	0	109.3	E25 P26 V30 S31 C32	E25-I28 HydrophobicContact CB-CB 4.34Å; E25-I28 HydrophobicContact CB-CD1 4.27Å; E25-I28 PolarHBondContact O-N 3.34Å; E25-I28 WeakPolarHBondContact OE2-CD1 3.42Å; P26-I28 PolarHBondContact O-N 3.47Å; I28-V30 PolarHBondContact O-N 3.25Å; I28-S31 WeakPolarHBondContact CA-OG 3.45Å; I28-S31 PolarHBondContact O-N 3.02Å; I28-S31 PolarHBondContact O-OG 3.15Å; I28-C32 PolarHBondContact O-N 3.1Å; I28-C32 PolarHBondContact O-SG 3.47Å
29	L	94.7	Very high	94.7	Very high	43 Å²	43	86.5 Å²	86.5	23%	0.225	48%	0.482	C	S	.	.	H	α-helix	trans	-58.9	-46	179.1	-160.1	102	0	0	0	112.5	L18 A21 W22 E25 P26 G33	L18-L29 HydrophobicContact CD2-CD1 4.17Å; A21-L29 HydrophobicContact CB-CD1 3.47Å; A21-L29 VanDerWaalsContact CB-CD1 3.47Å; W22-L29 HydrophobicContact CB-CD2 4.35Å; W22-L29 HydrophobicContact CE3-CD2 3.54Å; W22-L29 HydrophobicContact CZ3-CD2 4.24Å; E25-L29 PolarHBondContact O-N 3.26Å; E25-L29 VanDerWaalsContact O-N 3.13Å; P26-L29 PolarHBondContact O-N 3.46Å; L29-G33 PolarHBondContact O-N 3.49Å
30	V	96.6	Very high	95	Very high	59 Å²	59	83.6 Å²	83.6	36%	0.358	47%	0.472	S	S	.	.	H	α-helix	trans	-65	-42.6	177.9	171.5	0	0	0	0	110.9	W22 P26 I28 C32 G33 I34	W22-V30 HydrophobicContact CE3-CG2 4.42Å; W22-V30 HydrophobicContact CH2-CG2 3.91Å; W22-V30 HydrophobicContact CZ3-CG2 3.49Å; W22-V30 VanDerWaalsContact CZ3-CG2 3.49Å; P26-V30 WeakPolarHBondContact O-CB 3.26Å; P26-V30 VanDerWaalsContact O-CG2 3.26Å; P26-V30 WeakPolarHBondContact O-CG2 3.48Å; P26-V30 PolarHBondContact O-N 3.2Å; I28-V30 PolarHBondContact O-N 3.25Å; V30-C32 PolarHBondContact O-N 3.11Å; V30-G33 PolarHBondContact O-N 2.97Å; V30-I34 HydrophobicContact CG1-CD1 3.6Å; V30-I34 HydrophobicContact CG1-CG1 4.17Å; V30-I34 WeakPolarHBondContact O-CG1 3.21Å; V30-I34 PolarHBondContact O-N 2.84Å
31	S	96.6	Very high	95.2	Very high	67 Å²	67	85.1 Å²	85.1	47%	0.469	48%	0.48	S	S	.	.	H	α-helix	trans	-60.8	-44.9	179	72.7	0	0	0	0	112.3	V27 I28 G35	V27-S31 WeakPolarHBondContact O-CB 3.41Å; V27-S31 PolarHBondContact O-N 3.41Å; V27-S31 PolarHBondContact O-OG 2.73Å; I28-S31 WeakPolarHBondContact CA-OG 3.45Å; I28-S31 PolarHBondContact O-N 3.02Å; I28-S31 PolarHBondContact O-OG 3.15Å; S31-G35 PolarHBondContact O-N 2.97Å
32	C	94.7	Very high	95.3	Very high	74 Å²	74	87.5 Å²	87.5	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-42.4	174.8	-66.5	0	0	0	0	111.2	I28 V30 G35 L36	I28-C32 PolarHBondContact O-N 3.1Å; I28-C32 PolarHBondContact O-SG 3.47Å; V30-C32 PolarHBondContact O-N 3.11Å; C32-G35 PolarHBondContact O-N 3.46Å; C32-L36 WeakPolarHBondContact O-CB 3.25Å; C32-L36 VanDerWaalsContact O-CG 3.3Å; C32-L36 WeakPolarHBondContact O-CG 3.43Å; C32-L36 PolarHBondContact O-N 3.46Å
33	G	95.6	Very high	95.3	Very high	34 Å²	34	89.1 Å²	89.1	35%	0.351	51%	0.505	S	S	.	.	H	α-helix	trans	-59.4	-50.4	177.2	0	0	0	0	0	112.7	L29 V30 G35 L36 V37	L29-G33 PolarHBondContact O-N 3.49Å; V30-G33 PolarHBondContact O-N 2.97Å; G33-G35 VanDerWaalsContact C-N 3.35Å; G33-G35 PolarHBondContact O-N 3.12Å; G33-L36 PolarHBondContact O-N 3.22Å; G33-V37 VanDerWaalsContact O-CG2 3.3Å; G33-V37 WeakPolarHBondContact O-CG2 3.45Å; G33-V37 PolarHBondContact O-N 3.19Å
34	I	97.1	Very high	95.3	Very high	117 Å²	117	89.6 Å²	89.6	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-42.2	178	-65.9	171.5	0	0	0	110.6	V30 L36 V37 G38	V30-I34 HydrophobicContact CG1-CD1 3.6Å; V30-I34 HydrophobicContact CG1-CG1 4.17Å; V30-I34 WeakPolarHBondContact O-CG1 3.21Å; V30-I34 PolarHBondContact O-N 2.84Å; I34-L36 PolarHBondContact O-N 3.28Å; I34-V37 PolarHBondContact O-N 3.04Å; I34-G38 PolarHBondContact O-N 3.23Å
35	G	97.1	Very high	95.3	Very high	37 Å²	37	84.1 Å²	84.1	38%	0.381	49%	0.487	S	S	.	.	H	α-helix	trans	-59	-46.4	177	0	0	0	0	0	112.5	S31 C32 G33 G38 I39	S31-G35 PolarHBondContact O-N 2.97Å; C32-G35 PolarHBondContact O-N 3.46Å; G33-G35 VanDerWaalsContact C-N 3.35Å; G33-G35 PolarHBondContact O-N 3.12Å; G35-G38 PolarHBondContact O-N 3.31Å; G35-I39 WeakPolarHBondContact O-CG1 3.45Å; G35-I39 PolarHBondContact O-N 3.49Å; G35-I39 VanDerWaalsContact O-N 3.1Å
36	L	96.9	Very high	95.2	Very high	109 Å²	109	83.4 Å²	83.4	57%	0.571	49%	0.492	S	S	*	.	H	α-helix	trans	-64.7	-43.8	177.2	-70.4	173.7	0	0	0	112.1	C32 G33 I34 G38 I39 I40	C32-L36 WeakPolarHBondContact O-CB 3.25Å; C32-L36 VanDerWaalsContact O-CG 3.3Å; C32-L36 WeakPolarHBondContact O-CG 3.43Å; C32-L36 PolarHBondContact O-N 3.46Å; G33-L36 PolarHBondContact O-N 3.22Å; I34-L36 PolarHBondContact O-N 3.28Å; L36-G38 VanDerWaalsContact C-N 3.34Å; L36-G38 PolarHBondContact O-N 3.46Å; L36-I39 PolarHBondContact O-N 2.74Å; L36-I40 VanDerWaalsContact O-CG1 3.32Å; L36-I40 WeakPolarHBondContact O-CG1 3.35Å; L36-I40 PolarHBondContact O-N 3.42Å
37	V	96.9	Very high	95.3	Very high	86 Å²	86	88.1 Å²	88.1	52%	0.521	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176	171.7	0	0	0	0	110.5	G33 I34 I39 I40 L41	G33-V37 VanDerWaalsContact O-CG2 3.3Å; G33-V37 WeakPolarHBondContact O-CG2 3.45Å; G33-V37 PolarHBondContact O-N 3.19Å; I34-V37 PolarHBondContact O-N 3.04Å; V37-I39 VanDerWaalsContact C-N 3.27Å; V37-I39 PolarHBondContact O-N 2.84Å; V37-I40 PolarHBondContact O-N 3.23Å; V37-L41 HydrophobicContact CG1-CB 4.45Å; V37-L41 WeakPolarHBondContact O-CB 3.41Å; V37-L41 PolarHBondContact O-N 3.28Å
38	G	95.4	Very high	95.2	Very high	45 Å²	45	84.8 Å²	84.8	46%	0.464	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-32.4	179.1	0	0	0	0	0	113.7	I34 G35 L36 P42	I34-G38 PolarHBondContact O-N 3.23Å; G35-G38 PolarHBondContact O-N 3.31Å; L36-G38 VanDerWaalsContact C-N 3.34Å; L36-G38 PolarHBondContact O-N 3.46Å; G38-P42 WeakPolarHBondContact O-CD 3.28Å; G38-P42 WeakPolarHBondContact O-CG 3.47Å
39	I	96.1	Very high	95.1	Very high	113 Å²	113	87.6 Å²	87.6	58%	0.579	50%	0.495	S	S	*	.	H	α-helix	trans	-74.9	-42.9	175.1	-70.1	160.8	0	0	0	111.2	G35 L36 V37 F43	G35-I39 WeakPolarHBondContact O-CG1 3.45Å; G35-I39 PolarHBondContact O-N 3.49Å; G35-I39 VanDerWaalsContact O-N 3.1Å; L36-I39 PolarHBondContact O-N 2.74Å; V37-I39 VanDerWaalsContact C-N 3.27Å; V37-I39 PolarHBondContact O-N 2.84Å; I39-F43 WeakPolarHBondContact O-CD2 3.18Å; I39-F43 WeakPolarHBondContact O-CE2 3.11Å
40	I	96.6	Very high	95.1	Very high	90 Å²	90	89.3 Å²	89.3	46%	0.462	50%	0.499	S	S	.	.	H	α-helix	trans	-81.6	-38.3	-171.4	-65.3	168	0	0	0	111.8	L36 V37 P42 F43 I44	L36-I40 VanDerWaalsContact O-CG1 3.32Å; L36-I40 WeakPolarHBondContact O-CG1 3.35Å; L36-I40 PolarHBondContact O-N 3.42Å; V37-I40 PolarHBondContact O-N 3.23Å; I40-P42 VanDerWaalsContact C-CD 3.5Å; I40-F43 PolarHBondContact O-N 3.47Å; I40-F43 VanDerWaalsContact O-N 3.1Å; I40-I44 HydrophobicContact CG2-CD1 3.43Å; I40-I44 VanDerWaalsContact CG2-CD1 3.43Å; I40-I44 HydrophobicContact CG2-CG1 4.1Å; I40-I44 PolarHBondContact O-N 2.88Å
41	L	95.6	Very high	95	Very high	106 Å²	106	89.1 Å²	89.1	56%	0.555	50%	0.503	S	S	*	.	H	α-helix	trans	-57.2	-41.1	-172	-172.7	70.5	0	0	0	114	V37 F43 I44 S45	V37-L41 HydrophobicContact CG1-CB 4.45Å; V37-L41 WeakPolarHBondContact O-CB 3.41Å; V37-L41 PolarHBondContact O-N 3.28Å; L41-F43 PolarHBondContact O-N 3.35Å; L41-I44 PolarHBondContact O-N 3.1Å; L41-S45 WeakPolarHBondContact O-CB 3.44Å; L41-S45 PolarHBondContact O-N 3.32Å
42	P	93.2	Very high	94.9	Very high	65 Å²	65	87.7 Å²	87.7	42%	0.422	50%	0.499	S	S	.	.	H	α-helix	trans	-61.3	-29.8	178	-25	35.4	0	0	0	114.1	G38 I40 S48	G38-P42 WeakPolarHBondContact O-CD 3.28Å; G38-P42 WeakPolarHBondContact O-CG 3.47Å; I40-P42 VanDerWaalsContact C-CD 3.5Å; P42-S48 WeakPolarHBondContact CA-OG 3.4Å; P42-S48 WeakPolarHBondContact O-CB 3.22Å; P42-S48 PolarHBondContact O-OG 2.96Å
43	F	93.4	Very high	95	Very high	176 Å²	176	86.5 Å²	86.5	77%	0.772	49%	0.487	S	S	*	.	H	α-helix	trans	-80.7	-27.9	-179.4	-62.6	-76.9	0	0	0	113.2	I39 I40 L41	I39-F43 WeakPolarHBondContact O-CD2 3.18Å; I39-F43 WeakPolarHBondContact O-CE2 3.11Å; I40-F43 PolarHBondContact O-N 3.47Å; I40-F43 VanDerWaalsContact O-N 3.1Å; L41-F43 PolarHBondContact O-N 3.35Å
44	I	95	Very high	95	Very high	129 Å²	129	87.6 Å²	87.6	66%	0.662	48%	0.484	S	S	*	.	H	α-helix	trans	-91.8	-28.7	179.5	-56.9	-180	0	0	0	110.9	I40 L41 P46	I40-I44 HydrophobicContact CG2-CD1 3.43Å; I40-I44 VanDerWaalsContact CG2-CD1 3.43Å; I40-I44 HydrophobicContact CG2-CG1 4.1Å; I40-I44 PolarHBondContact O-N 2.88Å; L41-I44 PolarHBondContact O-N 3.1Å; I44-P46 WeakPolarHBondContact O-CD 3.49Å
45	S	93.6	Very high	95	Very high	36 Å²	36	87.3 Å²	87.3	25%	0.252	48%	0.484	S	S	.	.			trans	-69.2	123.4	-175.1	179.6	0	0	0	0	111.7	L41 Y47 S48	L41-S45 WeakPolarHBondContact O-CB 3.44Å; L41-S45 PolarHBondContact O-N 3.32Å; S45-Y47 PolarHBondContact O-N 3.37Å; S45-Y47 PolarHBondContact OG-N 3.42Å; S45-S48 PolarHBondContact O-N 2.82Å; S45-S48 PolarHBondContact O-OG 3.38Å
46	P	91.8	Very high	94.9	Very high	99 Å²	99	92 Å²	92	64%	0.643	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.5	173.3	29.3	-34.7	0	0	0	111.9	I44	I44-P46 WeakPolarHBondContact O-CD 3.49Å
47	Y	93.9	Very high	94.8	Very high	156 Å²	156	88 Å²	88	61%	0.612	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-19.3	-177.2	-70.5	-80.9	0	0	0	114.2	S45 K49 Y50 L93	S45-Y47 PolarHBondContact O-N 3.37Å; S45-Y47 PolarHBondContact OG-N 3.42Å; Y47-K49 PolarHBondContact O-N 2.72Å; Y47-K49 VanDerWaalsContact O-N 3.11Å; Y47-Y50 AromaticContact CD1-CD2 3.89Å; Y47-Y50 HydrophobicContact CD1-CD2 3.89Å; Y47-Y50 HydrophobicContact CD1-CE2 4.24Å; Y47-Y50 PolarHBondContact O-N 2.99Å; Y47-L93 HydrophobicContact CE1-CD1 4.5Å
48	S	93.2	Very high	94.7	Very high	49 Å²	49	86.5 Å²	86.5	34%	0.343	47%	0.467	S	S	.	.	H	α-helix	trans	-56.4	-31.5	179	-59.1	0	0	0	0	112.4	P42 S45 Y50 A51	P42-S48 WeakPolarHBondContact CA-OG 3.4Å; P42-S48 WeakPolarHBondContact O-CB 3.22Å; P42-S48 PolarHBondContact O-OG 2.96Å; S45-S48 PolarHBondContact O-N 2.82Å; S45-S48 PolarHBondContact O-OG 3.38Å; S48-Y50 PolarHBondContact O-N 3.38Å; S48-A51 PolarHBondContact O-N 3.48Å
49	K	93.6	Very high	94.7	Very high	150 Å²	150	89.3 Å²	89.3	65%	0.652	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-42.7	175.1	-178.4	-176.8	177.2	-177.5	0	112.4	Y47 A51 G52 M53	Y47-K49 PolarHBondContact O-N 2.72Å; Y47-K49 VanDerWaalsContact O-N 3.11Å; K49-A51 VanDerWaalsContact C-N 3.34Å; K49-A51 PolarHBondContact O-N 3.38Å; K49-G52 PolarHBondContact O-N 3.2Å; K49-M53 HydrophobicContact CD-SD 4.18Å; K49-M53 HydrophobicContact CG-CG 4.36Å; K49-M53 HydrophobicContact CG-SD 3.87Å; K49-M53 WeakPolarHBondContact O-CG 3.47Å; K49-M53 PolarHBondContact O-N 3.21Å
50	Y	95.1	Very high	94.7	Very high	79 Å²	79	93 Å²	93	31%	0.31	49%	0.485	S	S	.	.	H	α-helix	trans	-67.7	-35	-176.6	-65.1	-66.9	0	0	0	111.9	Y47 S48 G52 M53 I54 W89 L93	Y47-Y50 AromaticContact CD1-CD2 3.89Å; Y47-Y50 HydrophobicContact CD1-CD2 3.89Å; Y47-Y50 HydrophobicContact CD1-CE2 4.24Å; Y47-Y50 PolarHBondContact O-N 2.99Å; S48-Y50 PolarHBondContact O-N 3.38Å; Y50-G52 VanDerWaalsContact C-N 3.32Å; Y50-G52 PolarHBondContact O-N 2.95Å; Y50-M53 HydrophobicContact CD1-SD 4.27Å; Y50-M53 PolarHBondContact O-N 2.96Å; Y50-I54 WeakPolarHBondContact O-CB 3.3Å; Y50-I54 VanDerWaalsContact O-CG1 3.22Å; Y50-I54 WeakPolarHBondContact O-CG1 3.5Å; Y50-I54 PolarHBondContact O-N 2.96Å; Y50-W89 AromaticContact CD1-CE3 3.47Å; Y50-W89 HydrophobicContact CD1-CE3 3.47Å; Y50-W89 VanDerWaalsContact CD1-CE3 3.47Å; Y50-W89 HydrophobicContact CD1-CH2 4.42Å; Y50-W89 AromaticContact CD1-CZ3 3.41Å; Y50-W89 HydrophobicContact CD1-CZ3 3.41Å; Y50-W89 VanDerWaalsContact CD1-CZ3 3.41Å; Y50-W89 AromaticContact CE1-CE3 3.75Å; Y50-W89 HydrophobicContact CE1-CE3 3.75Å; Y50-W89 HydrophobicContact CE1-CZ3 4.18Å; Y50-W89 HydrophobicContact CG-CZ3 4.26Å; Y50-L93 HydrophobicContact CD1-CD1 3.96Å; Y50-L93 HydrophobicContact CD2-CD1 3.74Å; Y50-L93 HydrophobicContact CE1-CD1 4.02Å; Y50-L93 HydrophobicContact CE2-CD1 3.85Å; Y50-L93 HydrophobicContact CG-CD1 3.81Å; Y50-L93 HydrophobicContact CG-CD2 4.43Å
51	A	94.4	Very high	94.7	Very high	55 Å²	55	95.4 Å²	95.4	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-57.8	-45.1	173.8	0	0	0	0	0	111.7	S48 K49 N55	S48-A51 PolarHBondContact O-N 3.48Å; K49-A51 VanDerWaalsContact C-N 3.34Å; K49-A51 PolarHBondContact O-N 3.38Å; A51-N55 PolarHBondContact O-N 2.85Å; A51-N55 PolarHBondContact O-ND2 3.43Å
52	G	93.8	Very high	94.7	Very high	36 Å²	36	99.3 Å²	99.3	37%	0.371	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-43.9	174.4	0	0	0	0	0	112.9	K49 Y50 I54 N55 Q56	K49-G52 PolarHBondContact O-N 3.2Å; Y50-G52 VanDerWaalsContact C-N 3.32Å; Y50-G52 PolarHBondContact O-N 2.95Å; G52-I54 PolarHBondContact O-N 3.46Å; G52-N55 PolarHBondContact O-N 3.34Å; G52-Q56 WeakPolarHBondContact O-CG 3.09Å; G52-Q56 PolarHBondContact O-N 3.44Å
53	M	95.8	Very high	94.7	Very high	49 Å²	49	100.8 Å²	100.8	24%	0.241	52%	0.517	C	S	.	.	H	α-helix	trans	-62.3	-41.3	178.2	-70.4	175.2	63.4	0	0	112.3	K49 Y50 Q56 V57 W89	K49-M53 HydrophobicContact CD-SD 4.18Å; K49-M53 HydrophobicContact CG-CG 4.36Å; K49-M53 HydrophobicContact CG-SD 3.87Å; K49-M53 WeakPolarHBondContact O-CG 3.47Å; K49-M53 PolarHBondContact O-N 3.21Å; Y50-M53 HydrophobicContact CD1-SD 4.27Å; Y50-M53 PolarHBondContact O-N 2.96Å; M53-Q56 PolarHBondContact O-N 2.79Å; M53-V57 WeakPolarHBondContact O-CG1 3.32Å; M53-V57 WeakPolarHBondContact O-CG2 3.2Å; M53-V57 PolarHBondContact O-N 3.49Å; M53-V57 VanDerWaalsContact O-N 3.16Å; M53-W89 HydrophobicContact CB-CH2 3.55Å; M53-W89 HydrophobicContact CB-CZ2 3.76Å; M53-W89 HydrophobicContact CB-CZ3 4.39Å; M53-W89 HydrophobicContact CE-CD2 3.89Å; M53-W89 HydrophobicContact CE-CE3 4.36Å; M53-W89 HydrophobicContact CE-CG 4.42Å; M53-W89 HydrophobicContact CE-CH2 4.16Å; M53-W89 HydrophobicContact CE-CZ2 3.68Å; M53-W89 HydrophobicContact CE-CZ3 4.49Å
54	I	96.8	Very high	94.8	Very high	57 Å²	57	98.1 Å²	98.1	29%	0.292	51%	0.514	S	S	.	.	H	α-helix	trans	-59.1	-48.9	176.6	-70.7	167	0	0	0	110.1	Y50 G52 Q56 V57 T58 W89 L90	Y50-I54 WeakPolarHBondContact O-CB 3.3Å; Y50-I54 VanDerWaalsContact O-CG1 3.22Å; Y50-I54 WeakPolarHBondContact O-CG1 3.5Å; Y50-I54 PolarHBondContact O-N 2.96Å; G52-I54 PolarHBondContact O-N 3.46Å; I54-Q56 PolarHBondContact O-N 3.41Å; I54-V57 VanDerWaalsContact O-CG2 3.25Å; I54-V57 WeakPolarHBondContact O-CG2 3.09Å; I54-V57 PolarHBondContact O-N 3.16Å; I54-V57 VanDerWaalsContact O-N 3.12Å; I54-T58 PolarHBondContact O-N 3.34Å; I54-T58 VanDerWaalsContact O-N 3.15Å; I54-T58 PolarHBondContact O-OG1 2.93Å; I54-W89 HydrophobicContact CG1-CH2 3.85Å; I54-W89 HydrophobicContact CG1-CZ3 4.27Å; I54-L90 HydrophobicContact CD1-CD1 3.86Å; I54-L90 HydrophobicContact CG1-CD1 3.75Å
55	N	96.1	Very high	94.7	Very high	112 Å²	112	96.9 Å²	96.9	60%	0.599	52%	0.515	S	S	*	.	H	α-helix	trans	-60.8	-33.2	179.7	-71.8	-29.7	0	0	0	113	A51 G52	A51-N55 PolarHBondContact O-N 2.85Å; A51-N55 PolarHBondContact O-ND2 3.43Å; G52-N55 PolarHBondContact O-N 3.34Å
56	Q	94.9	Very high	94.6	Very high	136 Å²	136	100 Å²	100	64%	0.636	53%	0.532	S	S	*	.	H	α-helix	trans	-78.4	-20.5	178.4	-71.9	-179.1	-18.9	0	0	114.4	G52 M53 I54 R85	G52-Q56 WeakPolarHBondContact O-CG 3.09Å; G52-Q56 PolarHBondContact O-N 3.44Å; M53-Q56 PolarHBondContact O-N 2.79Å; I54-Q56 PolarHBondContact O-N 3.41Å; Q56-R85 PolarHBondContact O-NH2 3.41Å
57	V	94.8	Very high	94.7	Very high	24 Å²	24	106 Å²	106	15%	0.145	54%	0.542	C	S	.	.	H	α-helix	trans	-97.4	-16.3	-179.2	-61.8	0	0	0	0	112.8	M53 I54 P59 L87	M53-V57 WeakPolarHBondContact O-CG1 3.32Å; M53-V57 WeakPolarHBondContact O-CG2 3.2Å; M53-V57 PolarHBondContact O-N 3.49Å; M53-V57 VanDerWaalsContact O-N 3.16Å; I54-V57 VanDerWaalsContact O-CG2 3.25Å; I54-V57 WeakPolarHBondContact O-CG2 3.09Å; I54-V57 PolarHBondContact O-N 3.16Å; I54-V57 VanDerWaalsContact O-N 3.12Å; V57-P59 WeakPolarHBondContact O-CD 3.36Å; V57-L87 HydrophobicContact CB-CD2 3.73Å; V57-L87 HydrophobicContact CG1-CD2 3.58Å; V57-L87 HydrophobicContact CG2-CD2 3.95Å
58	T	95.9	Very high	94.7	Very high	54 Å²	54	104.3 Å²	104.3	33%	0.331	54%	0.543	S	S	.	.			trans	-67.7	112.9	175.3	-57.9	0	0	0	0	110.9	I54 Y60	I54-T58 PolarHBondContact O-N 3.34Å; I54-T58 VanDerWaalsContact O-N 3.15Å; I54-T58 PolarHBondContact O-OG1 2.93Å; T58-Y60 HydrophobicContact CG2-CD2 4.18Å; T58-Y60 HydrophobicContact CG2-CE1 4.09Å; T58-Y60 HydrophobicContact CG2-CE2 3.7Å; T58-Y60 PolarHBondContact O-N 3.49Å
59	P	94.5	Very high	94.7	Very high	104 Å²	104	107.5 Å²	107.5	68%	0.675	56%	0.557	S	S	*	*			trans	-86.1	95.8	-177.2	33.2	-30	0	0	0	110.3	V57	V57-P59 WeakPolarHBondContact O-CD 3.36Å
60	Y	96.3	Very high	94.7	Very high	192 Å²	192	103.5 Å²	103.5	75%	0.753	56%	0.558	S	S	*	*			trans	-77.2	-29.6	172.9	-70.4	-70.3	0	0	0	113.1	T58	T58-Y60 HydrophobicContact CG2-CD2 4.18Å; T58-Y60 HydrophobicContact CG2-CE1 4.09Å; T58-Y60 HydrophobicContact CG2-CE2 3.7Å; T58-Y60 PolarHBondContact O-N 3.49Å
61	N	96.6	Very high	94.5	Very high	140 Å²	140	106 Å²	106	75%	0.749	58%	0.576	S	S	*	*	S	Bend	trans	-107.5	152.1	176.7	-63.6	-39.1	0	0	0	109.7	P63	N61-P63 WeakPolarHBondContact O-CD 3.3Å
62	Y	95.9	Very high	94.4	Very high	188 Å²	188	105.4 Å²	105.4	74%	0.737	57%	0.565	S	S	*	*			trans	-65.7	123.7	173.9	-175.1	-103.2	0	0	0	110.5	V64	Y62-V64 PolarHBondContact O-N 2.94Å; Y62-V64 VanDerWaalsContact O-N 3.15Å
63	P	92.9	Very high	94.2	Very high	96 Å²	96	108.7 Å²	108.7	62%	0.623	58%	0.58	S	S	*	*			trans	-74.4	106.4	179.7	29.5	-32.6	0	0	0	109.8	N61 P65	N61-P63 WeakPolarHBondContact O-CD 3.3Å; P63-P65 WeakPolarHBondContact O-CD 3.39Å
64	V	95.9	Very high	93.9	Very high	119 Å²	119	111.8 Å²	111.8	72%	0.721	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-70.7	124.3	179.9	-178.7	0	0	0	0	109.7	Y62	Y62-V64 PolarHBondContact O-N 2.94Å; Y62-V64 VanDerWaalsContact O-N 3.15Å
65	P	93.1	Very high	93.7	Very high	103 Å²	103	111.7 Å²	111.7	67%	0.669	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-61	142.4	176.2	-24.3	34.9	0	0	0	112.4	P63	P63-P65 WeakPolarHBondContact O-CD 3.39Å
66	V	92.4	Very high	93.5	Very high	101 Å²	101	109 Å²	109	61%	0.612	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-80.2	144.9	175.5	-177	0	0	0	0	109.3	D68 M72	V66-D68 PolarHBondContact O-N 3.27Å; V66-M72 HydrophobicContact CG1-CE 4.03Å; V66-M72 HydrophobicContact CG1-SD 3.99Å
67	R	93.8	Very high	93.3	Very high	226 Å²	226	107.9 Å²	107.9	85%	0.853	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-74.3	124.2	173.7	-173.7	-178.4	-175.3	92.5	1.6	109.4	M72	R67-M72 WeakPolarHBondContact O-CE 3.36Å
68	D	93.1	Very high	93.1	Very high	120 Å²	120	112 Å²	112	64%	0.642	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-68.7	132.3	178.7	-170.4	10.6	0	0	0	112	V66 G70	V66-D68 PolarHBondContact O-N 3.27Å; D68-G70 PolarHBondContact OD1-N 3.45Å
69	D	93.3	Very high	92.8	Very high	117 Å²	117	115.3 Å²	115.3	63%	0.626	64%	0.635	S	S	*	*			trans	-108.6	-0.1	176.1	69	-1.9	0	0	0	112.3	N71 M72	D69-N71 PolarHBondContact OD1-N 3.4Å; D69-M72 HydrophobicContact CB-CE 3.89Å; D69-M72 WeakPolarHBondContact OD1-CE 3.32Å; D69-M72 VanDerWaalsContact OD1-CG 3.26Å; D69-M72 WeakPolarHBondContact OD1-CG 3.47Å
70	G	92.9	Very high	92.5	Very high	66 Å²	66	115.7 Å²	115.7	68%	0.68	64%	0.639	S	S	*	*	S	Bend	trans	89.9	-3.3	-178.7	0	0	0	0	0	114.8	D68	D68-G70 PolarHBondContact OD1-N 3.45Å
71	N	92.3	Very high	92.3	Very high	130 Å²	130	110.1 Å²	110.1	70%	0.695	62%	0.62	S	S	*	*			trans	-136.9	53.8	-178.7	-170.7	35.1	0	0	0	113.1	D69 P73	D69-N71 PolarHBondContact OD1-N 3.4Å; N71-P73 VanDerWaalsContact C-CD 3.47Å; N71-P73 VanDerWaalsContact O-CD 3.23Å; N71-P73 WeakPolarHBondContact O-CD 3.38Å
72	M	91.6	Very high	91.8	Very high	44 Å²	44	109 Å²	109	22%	0.217	63%	0.63	C	S	.	*			trans	-114.6	73.1	177.7	-52.3	-167.3	177.6	0	0	112.6	V66 R67 D69 D74 V75 K83	V66-M72 HydrophobicContact CG1-CE 4.03Å; V66-M72 HydrophobicContact CG1-SD 3.99Å; R67-M72 WeakPolarHBondContact O-CE 3.36Å; D69-M72 HydrophobicContact CB-CE 3.89Å; D69-M72 WeakPolarHBondContact OD1-CE 3.32Å; D69-M72 VanDerWaalsContact OD1-CG 3.26Å; D69-M72 WeakPolarHBondContact OD1-CG 3.47Å; M72-D74 PolarHBondContact O-N 2.93Å; M72-D74 VanDerWaalsContact O-N 3.11Å; M72-V75 HydrophobicContact CB-CB 4.05Å; M72-V75 HydrophobicContact CB-CG2 4.08Å; M72-V75 PolarHBondContact O-N 3.48Å; M72-V75 HydrophobicContact SD-CG2 4.28Å; M72-K83 PolarHBondContact O-NZ 2.81Å
73	P	89.8	Confident	91.3	Very high	105 Å²	105	103 Å²	103	68%	0.682	61%	0.608	S	S	*	*	S	Bend	trans	-73.2	1.8	-175.3	32.9	-38.1	0	0	0	114.4	N71 K83	N71-P73 VanDerWaalsContact C-CD 3.47Å; N71-P73 VanDerWaalsContact O-CD 3.23Å; N71-P73 WeakPolarHBondContact O-CD 3.38Å; P73-K83 WeakPolarHBondContact O-CE 3.45Å; P73-K83 PolarHBondContact O-NZ 3.13Å; P73-K83 VanDerWaalsContact O-NZ 3.15Å
74	D	90	Very high	91	Very high	114 Å²	114	100.9 Å²	100.9	61%	0.61	60%	0.604	S	S	*	*	S	Bend	trans	-115.9	-20.5	178.4	64.9	-42.2	0	0	0	114.1	M72 K83	M72-D74 PolarHBondContact O-N 2.93Å; M72-D74 VanDerWaalsContact O-N 3.11Å; D74-K83 VanDerWaalsContact N-CE 3.33Å
75	V	91.1	Very high	90.7	Very high	54 Å²	54	103.1 Å²	103.1	33%	0.327	60%	0.599	S	S	.	*	S	Bend	trans	-84.7	125.9	177	-176.9	0	0	0	0	111.7	M72 K83	M72-V75 HydrophobicContact CB-CB 4.05Å; M72-V75 HydrophobicContact CB-CG2 4.08Å; M72-V75 PolarHBondContact O-N 3.48Å; M72-V75 HydrophobicContact SD-CG2 4.28Å; V75-K83 WeakPolarHBondContact O-CE 3.46Å; V75-K83 PolarHBondContact O-NZ 3.36Å
76	P	92.1	Very high	90.7	Very high	55 Å²	55	101.8 Å²	101.8	36%	0.357	59%	0.592	S	S	.	*			trans	-72.9	142	174.8	30	-33.5	0	0	0	111.9	E81 K83	P76-E81 WeakPolarHBondContact CA-OE2 3.26Å; P76-E81 HydrophobicContact CB-CB 4.25Å; P76-K83 HydrophobicContact CB-CB 4.22Å
77	S	90.5	Very high	90.8	Very high	113 Å²	113	100.1 Å²	100.1	79%	0.79	58%	0.58	S	S	*	*	S	Bend	trans	-79.5	-25.4	173.9	62.1	0	0	0	0	112.7	E81	S77-E81 PolarHBondContact N-OE2 3.39Å; S77-E81 PolarHBondContact OG-OE2 3.33Å
78	H	90.5	Very high	90.9	Very high	110 Å²	110	93.2 Å²	93.2	51%	0.509	56%	0.557	S	S	.	*	S	Bend	trans	-145.7	147.5	-178.6	-171.7	-94	0	0	0	111.3	C80 E81	H78-C80 PolarHBondContact ND1-N 2.86Å; H78-C80 PolarHBondContact O-N 3.26Å; H78-C80 VanDerWaalsContact O-N 3.14Å; H78-E81 VanDerWaalsContact O-CB 3.26Å; H78-E81 WeakPolarHBondContact O-CB 3.41Å; H78-E81 PolarHBondContact O-N 3.27Å
79	P	89.9	Confident	91	Very high	124 Å²	124	90.3 Å²	90.3	81%	0.805	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-28.9	-178.4	-28.3	36	0	0	0	115.7	E81	P79-E81 VanDerWaalsContact C-N 3.34Å
80	C	89.1	Confident	91.1	Very high	113 Å²	113	87.5 Å²	87.5	76%	0.764	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	0.7	179.9	-56	0	0	0	0	114	H78	H78-C80 PolarHBondContact ND1-N 2.86Å; H78-C80 PolarHBondContact O-N 3.26Å; H78-C80 VanDerWaalsContact O-N 3.14Å
81	E	90.8	Very high	91.2	Very high	74 Å²	74	91.5 Å²	91.5	35%	0.346	52%	0.521	S	S	.	.	S	Bend	trans	-65.6	147.9	176.1	-162.2	179.7	154	0	0	110	P76 S77 H78 P79 K83	P76-E81 WeakPolarHBondContact CA-OE2 3.26Å; P76-E81 HydrophobicContact CB-CB 4.25Å; S77-E81 PolarHBondContact N-OE2 3.39Å; S77-E81 PolarHBondContact OG-OE2 3.33Å; H78-E81 VanDerWaalsContact O-CB 3.26Å; H78-E81 WeakPolarHBondContact O-CB 3.41Å; H78-E81 PolarHBondContact O-N 3.27Å; P79-E81 VanDerWaalsContact C-N 3.34Å; E81-K83 HydrophobicContact CB-CB 4.42Å; E81-K83 HydrophobicContact CG-CB 3.92Å; E81-K83 PolarHBondContact O-N 3.09Å; E81-K83 VanDerWaalsContact OE1-CD 3.26Å; E81-K83 WeakPolarHBondContact OE1-CD 3.27Å
82	A	86.4	Confident	91.4	Very high	118 Å²	118	93.2 Å²	93.2	98%	0.975	52%	0.522	S	S	*	.	S	Bend	trans	-68.1	0.5	177.5	0	0	0	0	0	113.7
83	K	86.4	Confident	91.2	Very high	61 Å²	61	96.9 Å²	96.9	27%	0.265	54%	0.542	S	S	.	.			trans	-96.9	144.2	-172.1	-170.7	178.4	-175.6	-164.5	0	110.6	M72 P73 D74 V75 P76 E81	M72-K83 PolarHBondContact O-NZ 2.81Å; P73-K83 WeakPolarHBondContact O-CE 3.45Å; P73-K83 PolarHBondContact O-NZ 3.13Å; P73-K83 VanDerWaalsContact O-NZ 3.15Å; D74-K83 VanDerWaalsContact N-CE 3.33Å; V75-K83 WeakPolarHBondContact O-CE 3.46Å; V75-K83 PolarHBondContact O-NZ 3.36Å; P76-K83 HydrophobicContact CB-CB 4.22Å; E81-K83 HydrophobicContact CB-CB 4.42Å; E81-K83 HydrophobicContact CG-CB 3.92Å; E81-K83 PolarHBondContact O-N 3.09Å; E81-K83 VanDerWaalsContact OE1-CD 3.26Å; E81-K83 WeakPolarHBondContact OE1-CD 3.27Å
84	G	85.8	Confident	91.3	Very high	52 Å²	52	96.5 Å²	96.5	54%	0.536	53%	0.534	S	S	.	.	S	Bend	trans	96.1	-168.6	-179.1	0	0	0	0	0	113.9	S86	G84-S86 PolarHBondContact O-N 3.15Å
85	R	89.9	Confident	91.4	Very high	165 Å²	165	95.5 Å²	95.5	62%	0.623	53%	0.531	S	S	*	.			trans	-84.7	104	-170.6	-171.8	166.8	64.8	162.9	2.9	111.2	Q56	Q56-R85 PolarHBondContact O-NH2 3.41Å
86	S	92.7	Very high	91.4	Very high	75 Å²	75	97.8 Å²	97.8	52%	0.524	54%	0.542	S	S	.	.			trans	-80.7	149.6	176.4	-178.2	0	0	0	0	113.4	G84 E88	G84-S86 PolarHBondContact O-N 3.15Å; S86-E88 WeakPolarHBondContact OG-CG 3.36Å; S86-E88 PolarHBondContact OG-N 3.11Å
87	L	94.9	Very high	91.3	Very high	66 Å²	66	100.4 Å²	100.4	35%	0.346	55%	0.553	S	S	.	*			trans	-103.8	18.1	179.4	-56.5	-177.4	0	0	0	113.3	V57 W89 L90 K91	V57-L87 HydrophobicContact CB-CD2 3.73Å; V57-L87 HydrophobicContact CG1-CD2 3.58Å; V57-L87 HydrophobicContact CG2-CD2 3.95Å; L87-W89 PolarHBondContact O-N 3.48Å; L87-L90 HydrophobicContact CB-CB 4.47Å; L87-L90 WeakPolarHBondContact O-CB 3.4Å; L87-L90 PolarHBondContact O-N 3.07Å; L87-K91 PolarHBondContact O-N 3.46Å
88	E	95.6	Very high	91.4	Very high	82 Å²	82	99.6 Å²	99.6	38%	0.383	54%	0.538	S	S	.	.	H	α-helix	trans	-58.5	-31.4	178.5	-73	-54.6	123.3	0	0	113.5	S86 L90 K91 K92	S86-E88 WeakPolarHBondContact OG-CG 3.36Å; S86-E88 PolarHBondContact OG-N 3.11Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 2.86Å; E88-K91 PolarHBondContact O-N 3.49Å; E88-K91 IonicContact OE1-NZ 2.74Å; E88-K91 PolarHBondContact OE1-NZ 3.3Å; E88-K92 WeakPolarHBondContact O-CB 3.47Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.48Å; E88-K92 PolarHBondContact O-N 3.38Å
89	W	95	Very high	91.4	Very high	59 Å²	59	98.9 Å²	98.9	22%	0.223	54%	0.54	C	S	.	.	H	α-helix	trans	-64.7	-34.2	174.2	65.9	-90.8	0	0	0	112.2	Y50 M53 I54 L87 K92 L93	Y50-W89 AromaticContact CD1-CE3 3.47Å; Y50-W89 HydrophobicContact CD1-CE3 3.47Å; Y50-W89 VanDerWaalsContact CD1-CE3 3.47Å; Y50-W89 HydrophobicContact CD1-CH2 4.42Å; Y50-W89 AromaticContact CD1-CZ3 3.41Å; Y50-W89 HydrophobicContact CD1-CZ3 3.41Å; Y50-W89 VanDerWaalsContact CD1-CZ3 3.41Å; Y50-W89 AromaticContact CE1-CE3 3.75Å; Y50-W89 HydrophobicContact CE1-CE3 3.75Å; Y50-W89 HydrophobicContact CE1-CZ3 4.18Å; Y50-W89 HydrophobicContact CG-CZ3 4.26Å; M53-W89 HydrophobicContact CB-CH2 3.55Å; M53-W89 HydrophobicContact CB-CZ2 3.76Å; M53-W89 HydrophobicContact CB-CZ3 4.39Å; M53-W89 HydrophobicContact CE-CD2 3.89Å; M53-W89 HydrophobicContact CE-CE3 4.36Å; M53-W89 HydrophobicContact CE-CG 4.42Å; M53-W89 HydrophobicContact CE-CH2 4.16Å; M53-W89 HydrophobicContact CE-CZ2 3.68Å; M53-W89 HydrophobicContact CE-CZ3 4.49Å; I54-W89 HydrophobicContact CG1-CH2 3.85Å; I54-W89 HydrophobicContact CG1-CZ3 4.27Å; L87-W89 PolarHBondContact O-N 3.48Å; W89-K92 PolarHBondContact O-N 2.91Å; W89-L93 PolarHBondContact O-N 3.47Å; W89-L93 VanDerWaalsContact O-N 3.12Å
90	L	96.2	Very high	91.6	Very high	57 Å²	57	97.1 Å²	97.1	30%	0.298	52%	0.521	S	S	.	.	H	α-helix	trans	-75.9	-35.1	-179.6	179.4	59.4	0	0	0	111.1	I54 L87 E88 K92 L93	I54-L90 HydrophobicContact CD1-CD1 3.86Å; I54-L90 HydrophobicContact CG1-CD1 3.75Å; L87-L90 HydrophobicContact CB-CB 4.47Å; L87-L90 WeakPolarHBondContact O-CB 3.4Å; L87-L90 PolarHBondContact O-N 3.07Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 2.86Å; L90-K92 PolarHBondContact O-N 3.25Å; L90-L93 HydrophobicContact CD1-CD2 4.4Å
91	K	95.6	Very high	91.7	Very high	151 Å²	151	95.8 Å²	95.8	66%	0.657	50%	0.502	S	S	*	.	H	α-helix	trans	-66.8	-24.2	174.3	-64.8	180	-174.2	168.2	0	113.2	L87 E88	L87-K91 PolarHBondContact O-N 3.46Å; E88-K91 PolarHBondContact O-N 3.49Å; E88-K91 IonicContact OE1-NZ 2.74Å; E88-K91 PolarHBondContact OE1-NZ 3.3Å
92	K	95.1	Very high	91.8	Very high	165 Å²	165	97.7 Å²	97.7	72%	0.717	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-2.2	-176.3	-66.6	175.9	-177.3	-179	0	113.3	E88 W89 L90	E88-K92 WeakPolarHBondContact O-CB 3.47Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.48Å; E88-K92 PolarHBondContact O-N 3.38Å; W89-K92 PolarHBondContact O-N 2.91Å; L90-K92 PolarHBondContact O-N 3.25Å
93	L	88.3	Confident	92.3	Very high	121 Å²	121	95.8 Å²	95.8	63%	0.634	47%	0.473	S	S	*	.			trans	-70.4	0	176.1	-165.1	77.9	0	0	0	109.8	Y47 Y50 W89 L90	Y47-L93 HydrophobicContact CE1-CD1 4.5Å; Y50-L93 HydrophobicContact CD1-CD1 3.96Å; Y50-L93 HydrophobicContact CD2-CD1 3.74Å; Y50-L93 HydrophobicContact CE1-CD1 4.02Å; Y50-L93 HydrophobicContact CE2-CD1 3.85Å; Y50-L93 HydrophobicContact CG-CD1 3.81Å; Y50-L93 HydrophobicContact CG-CD2 4.43Å; W89-L93 PolarHBondContact O-N 3.47Å; W89-L93 VanDerWaalsContact O-N 3.12Å; L90-L93 HydrophobicContact CD1-CD2 4.4Å

Retrieved 93 of 93 residues in 114.6 ms (Link to these results)

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