A0A096NXW1_PAPAN Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4

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 A0A096NXW1, Species PAPAN (Papio anubis, Olive baboon), Gene NDUFB4, Length 128 aa.

						>A0A096NXW1_PAPAN|A0A096NXW1|NDUFB4
MSTSKYKPSHLATLPESLDPAEYDTSPETRRAQAERLAIRARLKREYLLQYNDPNRRGLIENPALLRWSYARTNVYPNFRPTPKNSLLGAVFGVGPLIFLYCIIKADRDRKEKLIREGKLDRTFQLSC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	49.5	Very low	86.5	Confident	243 Å²	243	144.5 Å²	144.5	100%	1.197	77%	0.769	S	S	*	*				0	124.8	0	-69.7	-164.8	158.6	0	0	108
2	S	74.4	Confident	87.2	Confident	125 Å²	125	135.8 Å²	135.8	87%	0.874	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-77.8	124	177.4	58.5	0	0	0	0	109.8
3	T	81.9	Confident	87.8	Confident	135 Å²	135	134.1 Å²	134.1	83%	0.828	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-67.6	147.6	173.6	51	0	0	0	0	110.8
4	S	87.3	Confident	88.4	Confident	122 Å²	122	128.7 Å²	128.7	85%	0.853	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-60.5	135.1	175.3	-176.9	0	0	0	0	111.2
5	K	90.3	Very high	88.8	Confident	186 Å²	186	123.7 Å²	123.7	81%	0.809	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-77.3	130.1	179.4	-170.9	177.3	-177.8	177.3	0	110.5
6	Y	92.9	Very high	89.1	Confident	95 Å²	95	124.8 Å²	124.8	37%	0.373	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-62	136.3	175.5	-174.3	-91.4	0	0	0	111.4	P8 T13 L14 L18	Y6-P8 HydrophobicContact CE1-CB 4.11Å; Y6-T13 PolarHBondContact OH-O 3.09Å; Y6-L14 HydrophobicContact CD1-CD1 3.53Å; Y6-L14 HydrophobicContact CE1-CD1 4.1Å; Y6-L14 HydrophobicContact CG-CD1 4.46Å; Y6-L18 HydrophobicContact CG-CD1 4.18Å
7	K	94.6	Very high	89.4	Confident	187 Å²	187	122 Å²	122	81%	0.813	67%	0.667	S	S	*	*			trans	-115.4	109	177.1	-67.6	-176.6	-178.3	179.4	0	109.1
8	P	95.5	Very high	89.6	Confident	80 Å²	80	120.4 Å²	120.4	52%	0.519	66%	0.657	S	S	.	*			trans	-69	156.1	178.2	29.4	-34.1	0	0	0	111.2	Y6 A12 L14	Y6-P8 HydrophobicContact CE1-CB 4.11Å; P8-A12 WeakPolarHBondContact CA-O 3.36Å; P8-L14 HydrophobicContact CB-CB 4.28Å
9	S	95.8	Very high	89.8	Confident	68 Å²	68	117.7 Å²	117.7	48%	0.476	64%	0.642	S	S	.	*	B	Isolated β-bridge	trans	-135.1	168.9	173.5	75.6	0	0	0	0	110.3	L11 A12	S9-L11 PolarHBondContact O-N 2.81Å; S9-L11 VanDerWaalsContact O-N 3.12Å; S9-A12 PolarHBondContact N-O 3.25Å; S9-A12 CarbonylContact O-C 3.26Å; S9-A12 VanDerWaalsContact O-C 3.26Å; S9-A12 PolarHBondContact O-N 3.3Å; S9-A12 VanDerWaalsContact O-N 3.07Å; S9-A12 WeakPolarHBondContact OG-CB 3.31Å; S9-A12 PolarHBondContact OG-N 3.21Å; S9-A12 VanDerWaalsContact OG-N 3.11Å
10	H	94.1	Very high	89.9	Confident	184 Å²	184	116.6 Å²	116.6	85%	0.852	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-29.5	179.2	-173.8	-86.1	0	0	0	113.3
11	L	95.7	Very high	90.1	Very high	165 Å²	165	113.5 Å²	113.5	86%	0.864	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-4.4	179.2	-59.8	178.5	0	0	0	113.3	S9	S9-L11 PolarHBondContact O-N 2.81Å; S9-L11 VanDerWaalsContact O-N 3.12Å
12	A	95	Very high	92.1	Very high	39 Å²	39	106.4 Å²	106.4	32%	0.322	60%	0.595	S	S	.	*	B	Isolated β-bridge	trans	-136.4	94.2	178.4	0	0	0	0	0	109.3	P8 S9	P8-A12 WeakPolarHBondContact CA-O 3.36Å; S9-A12 PolarHBondContact N-O 3.25Å; S9-A12 CarbonylContact O-C 3.26Å; S9-A12 VanDerWaalsContact O-C 3.26Å; S9-A12 PolarHBondContact O-N 3.3Å; S9-A12 VanDerWaalsContact O-N 3.07Å; S9-A12 WeakPolarHBondContact OG-CB 3.31Å; S9-A12 PolarHBondContact OG-N 3.21Å; S9-A12 VanDerWaalsContact OG-N 3.11Å
13	T	94.9	Very high	93	Very high	114 Å²	114	107.9 Å²	107.9	70%	0.699	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-70	157.4	-178.2	52.2	0	0	0	0	111.7	Y6	Y6-T13 PolarHBondContact OH-O 3.09Å
14	L	95.6	Very high	93.4	Very high	59 Å²	59	105.6 Å²	105.6	31%	0.309	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-62.7	132.7	173.8	-170.5	66.4	0	0	0	109.7	Y6 P8 L18 D19	Y6-L14 HydrophobicContact CD1-CD1 3.53Å; Y6-L14 HydrophobicContact CE1-CD1 4.1Å; Y6-L14 HydrophobicContact CG-CD1 4.46Å; P8-L14 HydrophobicContact CB-CB 4.28Å; L14-L18 HydrophobicContact CD1-CB 3.88Å; L14-L18 HydrophobicContact CG-CB 4.16Å; L14-D19 HydrophobicContact CD2-CB 4.01Å
15	P	94.9	Very high	93.7	Very high	53 Å²	53	104.9 Å²	104.9	34%	0.344	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-58.4	140.6	168.5	-24.6	34.7	0	0	0	111	S17 L18 D19	P15-S17 VanDerWaalsContact C-N 3.27Å; P15-S17 PolarHBondContact O-N 2.72Å; P15-L18 HydrophobicContact CB-CB 4.48Å; P15-L18 HydrophobicContact CB-CD1 4.35Å; P15-L18 HydrophobicContact CB-CG 4.31Å; P15-L18 HydrophobicContact CG-CD1 3.99Å; P15-L18 HydrophobicContact CG-CG 4.49Å; P15-L18 PolarHBondContact O-N 2.97Å; P15-D19 PolarHBondContact O-N 3.25Å
16	E	93.5	Very high	93.9	Very high	142 Å²	142	98.2 Å²	98.2	66%	0.664	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-55.2	-41.4	-178	-170.6	170.1	-155.5	0	0	112.1	L18 D19 E22	E16-L18 PolarHBondContact O-N 3.27Å; E16-D19 WeakPolarHBondContact O-CB 3.3Å; E16-D19 PolarHBondContact O-N 3.41Å; E16-D19 VanDerWaalsContact O-N 3.09Å; E16-E22 HydrophobicContact CG-CG 4.27Å
17	S	93.1	Very high	94.1	Very high	77 Å²	77	98 Å²	98	54%	0.538	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-67.3	-17.1	177.5	66.8	0	0	0	0	114.9	P15 Y23	P15-S17 VanDerWaalsContact C-N 3.27Å; P15-S17 PolarHBondContact O-N 2.72Å; S17-Y23 PolarHBondContact O-OH 3.08Å
18	L	93.7	Very high	94.2	Very high	94 Å²	94	96.1 Å²	96.1	49%	0.492	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-97.3	-8.7	176.5	-65.5	-178	0	0	0	112	Y6 L14 P15 E16 P20	Y6-L18 HydrophobicContact CG-CD1 4.18Å; L14-L18 HydrophobicContact CD1-CB 3.88Å; L14-L18 HydrophobicContact CG-CB 4.16Å; P15-L18 HydrophobicContact CB-CB 4.48Å; P15-L18 HydrophobicContact CB-CD1 4.35Å; P15-L18 HydrophobicContact CB-CG 4.31Å; P15-L18 HydrophobicContact CG-CD1 3.99Å; P15-L18 HydrophobicContact CG-CG 4.49Å; P15-L18 PolarHBondContact O-N 2.97Å; E16-L18 PolarHBondContact O-N 3.27Å; L18-P20 WeakPolarHBondContact O-CD 2.9Å
19	D	93.7	Very high	94.1	Very high	68 Å²	68	94.4 Å²	94.4	36%	0.364	52%	0.524	S	S	.	.			trans	-74.8	117.4	174.9	-168.2	-1.7	0	0	0	109.4	L14 P15 E16 A21 E22	L14-D19 HydrophobicContact CD2-CB 4.01Å; P15-D19 PolarHBondContact O-N 3.25Å; E16-D19 WeakPolarHBondContact O-CB 3.3Å; E16-D19 PolarHBondContact O-N 3.41Å; E16-D19 VanDerWaalsContact O-N 3.09Å; D19-A21 PolarHBondContact O-N 3.11Å; D19-A21 PolarHBondContact OD1-N 3.07Å; D19-E22 WeakPolarHBondContact O-CB 3.41Å; D19-E22 PolarHBondContact O-N 3.43Å; D19-E22 VanDerWaalsContact O-N 3.17Å
20	P	91.7	Very high	94.1	Very high	96 Å²	96	98.6 Å²	98.6	62%	0.623	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-58.2	-30.3	176.8	-23.8	35.1	0	0	0	112.7	L18 E22 Y23	L18-P20 WeakPolarHBondContact O-CD 2.9Å; P20-E22 PolarHBondContact O-N 3.01Å; P20-Y23 PolarHBondContact O-N 3.42Å
21	A	93.3	Very high	94.2	Very high	52 Å²	52	98 Å²	98	43%	0.43	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-66.7	-21.5	-178.5	0	0	0	0	0	113.2	D19 Y23 D24	D19-A21 PolarHBondContact O-N 3.11Å; D19-A21 PolarHBondContact OD1-N 3.07Å; A21-Y23 PolarHBondContact O-N 3.32Å; A21-D24 WeakPolarHBondContact CA-OD2 3.29Å; A21-D24 WeakPolarHBondContact O-CB 3.38Å; A21-D24 PolarHBondContact O-N 3.03Å
22	E	92.6	Very high	94.2	Very high	94 Å²	94	91.8 Å²	91.8	44%	0.439	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-64	-31.1	177.7	-176.4	55.8	-156.9	0	0	111.8	E16 D19 P20 D24	E16-E22 HydrophobicContact CG-CG 4.27Å; D19-E22 WeakPolarHBondContact O-CB 3.41Å; D19-E22 PolarHBondContact O-N 3.43Å; D19-E22 VanDerWaalsContact O-N 3.17Å; P20-E22 PolarHBondContact O-N 3.01Å; E22-D24 VanDerWaalsContact C-N 3.34Å
23	Y	92.1	Very high	94.3	Very high	155 Å²	155	95 Å²	95	61%	0.608	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-90.7	4.8	-179.2	-57.3	-72.2	0	0	0	113.3	S17 P20 A21 T25	S17-Y23 PolarHBondContact O-OH 3.08Å; P20-Y23 PolarHBondContact O-N 3.42Å; A21-Y23 PolarHBondContact O-N 3.32Å; Y23-T25 PolarHBondContact O-N 3.28Å; Y23-T25 VanDerWaalsContact O-N 3.11Å
24	D	92.1	Very high	94.4	Very high	88 Å²	88	92.4 Å²	92.4	47%	0.471	49%	0.491	S	S	.	.			trans	-72.3	104	-178.9	-76.9	-21.5	0	0	0	112	A21 E22 S26 T29	A21-D24 WeakPolarHBondContact CA-OD2 3.29Å; A21-D24 WeakPolarHBondContact O-CB 3.38Å; A21-D24 PolarHBondContact O-N 3.03Å; E22-D24 VanDerWaalsContact C-N 3.34Å; D24-S26 VanDerWaalsContact C-N 3.26Å; D24-S26 PolarHBondContact O-N 3.46Å; D24-T29 HydrophobicContact CB-CG2 4.3Å; D24-T29 PolarHBondContact O-OG1 2.87Å
25	T	91.8	Very high	94.6	Very high	106 Å²	106	95.8 Å²	95.8	65%	0.65	51%	0.505	S	S	*	.			trans	-87.5	21.6	179.6	59.9	0	0	0	0	114.4	Y23	Y23-T25 PolarHBondContact O-N 3.28Å; Y23-T25 VanDerWaalsContact O-N 3.11Å
26	S	95.9	Very high	94.7	Very high	46 Å²	46	101.7 Å²	101.7	32%	0.322	52%	0.521	S	S	.	.			trans	-63.8	150.5	-177.4	81.2	0	0	0	0	111.4	D24 E28 T29 R30	D24-S26 VanDerWaalsContact C-N 3.26Å; D24-S26 PolarHBondContact O-N 3.46Å; S26-E28 PolarHBondContact O-N 3.35Å; S26-T29 PolarHBondContact N-OG1 3.19Å; S26-T29 PolarHBondContact O-N 2.98Å; S26-T29 PolarHBondContact O-OG1 3.4Å; S26-T29 VanDerWaalsContact OG-CG2 3.3Å; S26-T29 WeakPolarHBondContact OG-CG2 3.39Å; S26-T29 PolarHBondContact OG-N 3.26Å; S26-T29 PolarHBondContact OG-OG1 2.85Å; S26-R30 WeakPolarHBondContact O-CG 3.39Å; S26-R30 PolarHBondContact O-N 3.4Å
27	P	96.3	Very high	94.9	Very high	90 Å²	90	100.5 Å²	100.5	58%	0.584	52%	0.518	S	S	*	.	H	α-helix	trans	-64.2	-28.5	179.1	25.3	-33.8	0	0	0	112.2	R31	P27-R31 WeakPolarHBondContact O-CG 3.35Å; P27-R31 PolarHBondContact O-N 3.01Å; P27-R31 VanDerWaalsContact O-N 3.12Å
28	E	95.9	Very high	95.2	Very high	149 Å²	149	99.6 Å²	99.6	70%	0.696	52%	0.515	S	S	*	.	H	α-helix	trans	-71.3	-44.1	179	-62	-173.2	171.4	0	0	112.1	S26 R30 R31 A32	S26-E28 PolarHBondContact O-N 3.35Å; E28-R30 VanDerWaalsContact C-N 3.3Å; E28-R30 PolarHBondContact O-N 3.37Å; E28-R31 PolarHBondContact O-N 3.03Å; E28-A32 PolarHBondContact O-N 3Å
29	T	94.8	Very high	95.4	Very high	43 Å²	43	99.2 Å²	99.2	26%	0.264	51%	0.513	S	S	.	.	H	α-helix	trans	-62.4	-40.8	176.9	55.8	0	0	0	0	110.8	D24 S26 R31 A32 Q33	D24-T29 HydrophobicContact CB-CG2 4.3Å; D24-T29 PolarHBondContact O-OG1 2.87Å; S26-T29 PolarHBondContact N-OG1 3.19Å; S26-T29 PolarHBondContact O-N 2.98Å; S26-T29 PolarHBondContact O-OG1 3.4Å; S26-T29 VanDerWaalsContact OG-CG2 3.3Å; S26-T29 WeakPolarHBondContact OG-CG2 3.39Å; S26-T29 PolarHBondContact OG-N 3.26Å; S26-T29 PolarHBondContact OG-OG1 2.85Å; T29-R31 PolarHBondContact O-N 2.85Å; T29-A32 PolarHBondContact O-N 3Å; T29-Q33 WeakPolarHBondContact O-CB 3.32Å; T29-Q33 VanDerWaalsContact O-CG 3.28Å; T29-Q33 WeakPolarHBondContact O-CG 3.41Å; T29-Q33 PolarHBondContact O-N 3.25Å
30	R	94.6	Very high	95.6	Very high	156 Å²	156	105.3 Å²	105.3	59%	0.589	53%	0.531	S	S	*	.	H	α-helix	trans	-61.2	-42.8	174.8	-70.5	-175	-178.8	-173.5	2	112.9	S26 E28 Q33 A34	S26-R30 WeakPolarHBondContact O-CG 3.39Å; S26-R30 PolarHBondContact O-N 3.4Å; E28-R30 VanDerWaalsContact C-N 3.3Å; E28-R30 PolarHBondContact O-N 3.37Å; R30-Q33 PolarHBondContact O-N 3.42Å; R30-A34 WeakPolarHBondContact O-CB 3.46Å; R30-A34 PolarHBondContact O-N 3.42Å
31	R	96.9	Very high	96	Very high	171 Å²	171	103.3 Å²	103.3	65%	0.645	52%	0.522	S	S	*	.	H	α-helix	trans	-61.6	-48.6	175.3	-74	173.2	-174	174.3	2.4	110.9	P27 E28 T29 Q33 A34 E35	P27-R31 WeakPolarHBondContact O-CG 3.35Å; P27-R31 PolarHBondContact O-N 3.01Å; P27-R31 VanDerWaalsContact O-N 3.12Å; E28-R31 PolarHBondContact O-N 3.03Å; T29-R31 PolarHBondContact O-N 2.85Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Q33 PolarHBondContact O-N 2.93Å; R31-A34 PolarHBondContact O-N 3.36Å; R31-E35 WeakPolarHBondContact O-CG 3.39Å; R31-E35 PolarHBondContact O-N 3.12Å
32	A	96.3	Very high	96.2	Very high	35 Å²	35	108.9 Å²	108.9	29%	0.289	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-40.1	178	0	0	0	0	0	112.5	E28 T29 R36	E28-A32 PolarHBondContact O-N 3Å; T29-A32 PolarHBondContact O-N 3Å; A32-R36 WeakPolarHBondContact O-CB 3.21Å; A32-R36 WeakPolarHBondContact O-CG 3.37Å; A32-R36 PolarHBondContact O-N 2.91Å
33	Q	96.3	Very high	96.5	Very high	106 Å²	106	108.9 Å²	108.9	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-63.3	-44.9	174.6	-75.4	173.7	-8	0	0	111.6	T29 R30 R31 R36 L37	T29-Q33 WeakPolarHBondContact O-CB 3.32Å; T29-Q33 VanDerWaalsContact O-CG 3.28Å; T29-Q33 WeakPolarHBondContact O-CG 3.41Å; T29-Q33 PolarHBondContact O-N 3.25Å; R30-Q33 PolarHBondContact O-N 3.42Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Q33 PolarHBondContact O-N 2.93Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-L37 WeakPolarHBondContact O-CB 3.47Å; Q33-L37 PolarHBondContact O-N 2.85Å
34	A	97.8	Very high	96.7	Very high	60 Å²	60	108.1 Å²	108.1	50%	0.496	54%	0.535	S	S	.	.	H	α-helix	trans	-62.6	-43.1	177.7	0	0	0	0	0	111.9	R30 R31 L37 A38	R30-A34 WeakPolarHBondContact O-CB 3.46Å; R30-A34 PolarHBondContact O-N 3.42Å; R31-A34 PolarHBondContact O-N 3.36Å; A34-L37 PolarHBondContact O-N 3.47Å; A34-A38 WeakPolarHBondContact O-CB 3.26Å; A34-A38 PolarHBondContact O-N 2.96Å
35	E	98.3	Very high	97	Very high	130 Å²	130	112.5 Å²	112.5	61%	0.607	54%	0.544	S	S	*	.	H	α-helix	trans	-62.9	-46.8	175.8	-72.9	173.9	-170.4	0	0	112	R31 L37 A38 I39	R31-E35 WeakPolarHBondContact O-CG 3.39Å; R31-E35 PolarHBondContact O-N 3.12Å; E35-L37 VanDerWaalsContact C-N 3.3Å; E35-L37 PolarHBondContact O-N 3.31Å; E35-A38 PolarHBondContact O-N 3.46Å; E35-I39 WeakPolarHBondContact O-CG1 3.24Å; E35-I39 PolarHBondContact O-N 2.92Å
36	R	98.1	Very high	97.3	Very high	177 Å²	177	112.2 Å²	112.2	67%	0.668	54%	0.536	S	S	*	.	H	α-helix	trans	-59.4	-41.7	175.2	-72.2	170.9	-175.2	-176.1	5.5	111.5	A32 Q33 I39 R40	A32-R36 WeakPolarHBondContact O-CB 3.21Å; A32-R36 WeakPolarHBondContact O-CG 3.37Å; A32-R36 PolarHBondContact O-N 2.91Å; Q33-R36 PolarHBondContact O-N 3.35Å; R36-I39 PolarHBondContact O-N 3.47Å; R36-R40 WeakPolarHBondContact O-CB 3.07Å; R36-R40 PolarHBondContact O-N 2.94Å
37	L	98.6	Very high	97.4	Very high	117 Å²	117	115.4 Å²	115.4	61%	0.613	54%	0.542	S	S	*	.	H	α-helix	trans	-65.8	-42.3	177.2	-175	147.7	0	0	0	111.3	Q33 A34 E35 I39 R40 A41	Q33-L37 WeakPolarHBondContact O-CB 3.47Å; Q33-L37 PolarHBondContact O-N 2.85Å; A34-L37 PolarHBondContact O-N 3.47Å; E35-L37 VanDerWaalsContact C-N 3.3Å; E35-L37 PolarHBondContact O-N 3.31Å; L37-I39 PolarHBondContact O-N 3.32Å; L37-R40 PolarHBondContact O-N 3.5Å; L37-A41 WeakPolarHBondContact O-CB 3.27Å; L37-A41 PolarHBondContact O-N 2.91Å
38	A	98.5	Very high	97.4	Very high	58 Å²	58	114.2 Å²	114.2	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-61	-44.4	176.3	0	0	0	0	0	111.6	A34 E35 A41 R42	A34-A38 WeakPolarHBondContact O-CB 3.26Å; A34-A38 PolarHBondContact O-N 2.96Å; E35-A38 PolarHBondContact O-N 3.46Å; A38-A41 PolarHBondContact O-N 3.02Å; A38-R42 WeakPolarHBondContact O-CB 3.38Å; A38-R42 PolarHBondContact O-N 3.11Å
39	I	98.3	Very high	97.5	Very high	87 Å²	87	112.4 Å²	112.4	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-47.4	174.7	-66.3	165.8	0	0	0	110.5	E35 R36 L37 A41 R42 L43	E35-I39 WeakPolarHBondContact O-CG1 3.24Å; E35-I39 PolarHBondContact O-N 2.92Å; R36-I39 PolarHBondContact O-N 3.47Å; L37-I39 PolarHBondContact O-N 3.32Å; I39-A41 PolarHBondContact O-N 3.22Å; I39-R42 PolarHBondContact O-N 3.35Å; I39-L43 HydrophobicContact CG2-CD1 3.97Å; I39-L43 HydrophobicContact CG2-CG 4.48Å; I39-L43 WeakPolarHBondContact O-CG 3.46Å; I39-L43 PolarHBondContact O-N 2.94Å
40	R	98.4	Very high	97.6	Very high	196 Å²	196	113.4 Å²	113.4	74%	0.74	53%	0.526	S	S	*	.	H	α-helix	trans	-59.8	-45.2	178.6	-175.7	-175.6	-68.8	-178	-1.6	111.5	R36 L37 L43 K44	R36-R40 WeakPolarHBondContact O-CB 3.07Å; R36-R40 PolarHBondContact O-N 2.94Å; L37-R40 PolarHBondContact O-N 3.5Å; R40-L43 PolarHBondContact O-N 3.31Å; R40-K44 WeakPolarHBondContact O-CB 3.31Å; R40-K44 PolarHBondContact O-N 3.43Å
41	A	98.4	Very high	97.7	Very high	53 Å²	53	112.9 Å²	112.9	44%	0.438	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-42.6	179.3	0	0	0	0	0	111.7	L37 A38 I39 K44 R45	L37-A41 WeakPolarHBondContact O-CB 3.27Å; L37-A41 PolarHBondContact O-N 2.91Å; A38-A41 PolarHBondContact O-N 3.02Å; I39-A41 PolarHBondContact O-N 3.22Å; A41-K44 PolarHBondContact O-N 3.49Å; A41-R45 WeakPolarHBondContact O-CB 3.42Å; A41-R45 PolarHBondContact O-N 3.12Å
42	R	98.4	Very high	97.6	Very high	170 Å²	170	110 Å²	110	64%	0.642	52%	0.523	S	S	*	.	H	α-helix	trans	-59.6	-50.3	175.8	-174.1	180	69.8	-179.4	0.7	111.7	A38 I39 K44 R45 E46	A38-R42 WeakPolarHBondContact O-CB 3.38Å; A38-R42 PolarHBondContact O-N 3.11Å; I39-R42 PolarHBondContact O-N 3.35Å; R42-K44 PolarHBondContact O-N 2.83Å; R42-R45 PolarHBondContact O-N 3.32Å; R42-E46 PolarHBondContact O-N 3.23Å
43	L	98.1	Very high	97.7	Very high	93 Å²	93	111.8 Å²	111.8	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-64.1	-39.8	179.1	-68.1	173.3	0	0	0	112.1	I39 R40 E46 Y47	I39-L43 HydrophobicContact CG2-CD1 3.97Å; I39-L43 HydrophobicContact CG2-CG 4.48Å; I39-L43 WeakPolarHBondContact O-CG 3.46Å; I39-L43 PolarHBondContact O-N 2.94Å; R40-L43 PolarHBondContact O-N 3.31Å; L43-E46 PolarHBondContact O-N 3.11Å; L43-Y47 PolarHBondContact O-N 3.11Å
44	K	98	Very high	97.7	Very high	139 Å²	139	112.4 Å²	112.4	60%	0.604	54%	0.541	S	S	*	.	H	α-helix	trans	-62.5	-43.8	175.4	-176.4	175.2	-179.5	178.9	0	111.4	R40 A41 R42 Y47 L48	R40-K44 WeakPolarHBondContact O-CB 3.31Å; R40-K44 PolarHBondContact O-N 3.43Å; A41-K44 PolarHBondContact O-N 3.49Å; R42-K44 PolarHBondContact O-N 2.83Å; K44-Y47 PolarHBondContact O-N 3.07Å; K44-L48 HydrophobicContact CG-CD1 3.93Å; K44-L48 HydrophobicContact CG-CG 4.36Å; K44-L48 WeakPolarHBondContact O-CB 3.29Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.47Å; K44-L48 PolarHBondContact O-N 3.09Å
45	R	98.3	Very high	97.6	Very high	180 Å²	180	116 Å²	116	68%	0.679	55%	0.551	S	S	*	*	H	α-helix	trans	-60.4	-48.1	176.9	178.6	-178.4	172.9	124.5	0.1	111.4	A41 R42 Y47 L48 L49	A41-R45 WeakPolarHBondContact O-CB 3.42Å; A41-R45 PolarHBondContact O-N 3.12Å; R42-R45 PolarHBondContact O-N 3.32Å; R45-Y47 VanDerWaalsContact C-N 3.33Å; R45-Y47 PolarHBondContact O-N 3.19Å; R45-L48 PolarHBondContact O-N 3.19Å; R45-L49 HydrophobicContact CG-CD1 4.16Å; R45-L49 HydrophobicContact CG-CG 4.45Å; R45-L49 WeakPolarHBondContact O-CG 3.41Å; R45-L49 PolarHBondContact O-N 2.93Å
46	E	97.3	Very high	97.3	Very high	100 Å²	100	113.9 Å²	113.9	47%	0.467	54%	0.538	S	S	.	.	H	α-helix	trans	-56.9	-47.2	178.5	-175.5	-175.2	166.5	0	0	111.7	R42 L43 L49 Q50	R42-E46 PolarHBondContact O-N 3.23Å; L43-E46 PolarHBondContact O-N 3.11Å; E46-L49 PolarHBondContact O-N 2.93Å; E46-Q50 PolarHBondContact O-N 3.48Å
47	Y	97.4	Very high	96.9	Very high	113 Å²	113	117.1 Å²	117.1	44%	0.443	55%	0.55	S	S	.	*	H	α-helix	trans	-61.1	-46.5	176	174.7	-102.1	0	0	0	112.4	L43 K44 R45 L49 Q50 Y51 I60	L43-Y47 PolarHBondContact O-N 3.11Å; K44-Y47 PolarHBondContact O-N 3.07Å; R45-Y47 VanDerWaalsContact C-N 3.33Å; R45-Y47 PolarHBondContact O-N 3.19Å; Y47-L49 PolarHBondContact O-N 3.28Å; Y47-Q50 PolarHBondContact O-N 3.25Å; Y47-Y51 HydrophobicContact CE1-CG 4.4Å; Y47-Y51 VanDerWaalsContact O-CB 3.3Å; Y47-Y51 WeakPolarHBondContact O-CB 3.36Å; Y47-Y51 PolarHBondContact O-N 3.45Å; Y47-I60 HydrophobicContact CD2-CD1 4.2Å; Y47-I60 HydrophobicContact CD2-CG2 4.09Å; Y47-I60 HydrophobicContact CE2-CB 4.37Å; Y47-I60 HydrophobicContact CE2-CD1 3.63Å; Y47-I60 HydrophobicContact CE2-CG2 4.14Å
48	L	97.6	Very high	96.7	Very high	65 Å²	65	114.4 Å²	114.4	34%	0.34	55%	0.55	S	S	.	*	H	α-helix	trans	-65.9	-35.5	-178.3	-72.3	174.6	0	0	0	112.9	K44 R45 Q50 Y51 N52	K44-L48 HydrophobicContact CG-CD1 3.93Å; K44-L48 HydrophobicContact CG-CG 4.36Å; K44-L48 WeakPolarHBondContact O-CB 3.29Å; K44-L48 VanDerWaalsContact O-CG 3.26Å; K44-L48 WeakPolarHBondContact O-CG 3.47Å; K44-L48 PolarHBondContact O-N 3.09Å; R45-L48 PolarHBondContact O-N 3.19Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 3.28Å; L48-Y51 PolarHBondContact O-N 2.91Å; L48-N52 VanDerWaalsContact O-CB 3.3Å; L48-N52 WeakPolarHBondContact O-CB 3.48Å; L48-N52 PolarHBondContact O-N 2.79Å; L48-N52 PolarHBondContact O-ND2 3.17Å; L48-N52 VanDerWaalsContact O-ND2 3.13Å
49	L	97.1	Very high	96.4	Very high	112 Å²	112	119 Å²	119	59%	0.586	57%	0.566	S	S	*	*	H	α-helix	trans	-62.2	-41.6	174.3	-72.5	171.8	0	0	0	111.3	R45 E46 Y47	R45-L49 HydrophobicContact CG-CD1 4.16Å; R45-L49 HydrophobicContact CG-CG 4.45Å; R45-L49 WeakPolarHBondContact O-CG 3.41Å; R45-L49 PolarHBondContact O-N 2.93Å; E46-L49 PolarHBondContact O-N 2.93Å; Y47-L49 PolarHBondContact O-N 3.28Å
50	Q	96.1	Very high	96.3	Very high	64 Å²	64	116.5 Å²	116.5	30%	0.299	55%	0.553	S	S	.	*	H	α-helix	trans	-72.3	-34.6	177.4	-75	-170.6	44.9	0	0	113.3	E46 Y47 L48 R56	E46-Q50 PolarHBondContact O-N 3.48Å; Y47-Q50 PolarHBondContact O-N 3.25Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 3.28Å; Q50-R56 WeakPolarHBondContact O-CD 3.37Å
51	Y	96.6	Very high	96.1	Very high	144 Å²	144	114 Å²	114	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-75.5	-37.7	-178.3	-179.3	-102.1	0	0	0	112.7	Y47 L48 D53 I60	Y47-Y51 HydrophobicContact CE1-CG 4.4Å; Y47-Y51 VanDerWaalsContact O-CB 3.3Å; Y47-Y51 WeakPolarHBondContact O-CB 3.36Å; Y47-Y51 PolarHBondContact O-N 3.45Å; L48-Y51 PolarHBondContact O-N 2.91Å; Y51-D53 VanDerWaalsContact C-N 3.32Å; Y51-I60 HydrophobicContact CD2-CD1 3.84Å; Y51-I60 HydrophobicContact CG-CD1 4.32Å
52	N	96.9	Very high	96	Very high	110 Å²	110	115.6 Å²	115.6	59%	0.588	55%	0.551	S	S	*	*	S	Bend	trans	-87.5	4	-178.2	-65.1	-35.9	0	0	0	113.6	L48 P54	L48-N52 VanDerWaalsContact O-CB 3.3Å; L48-N52 WeakPolarHBondContact O-CB 3.48Å; L48-N52 PolarHBondContact O-N 2.79Å; L48-N52 PolarHBondContact O-ND2 3.17Å; L48-N52 VanDerWaalsContact O-ND2 3.13Å; N52-P54 WeakPolarHBondContact O-CD 3.43Å
53	D	96.6	Very high	95.9	Very high	73 Å²	73	110.6 Å²	110.6	39%	0.39	54%	0.541	S	S	.	.			trans	-73.1	114.3	177	-179.1	-0.9	0	0	0	110.6	Y51 N55 R56	Y51-D53 VanDerWaalsContact C-N 3.32Å; D53-N55 PolarHBondContact O-N 3.19Å; D53-N55 WeakPolarHBondContact OD1-CB 3.45Å; D53-N55 PolarHBondContact OD1-N 3.2Å; D53-R56 HydrophobicContact CB-CB 4.17Å; D53-R56 PolarHBondContact O-N 2.92Å
54	P	96.3	Very high	95.9	Very high	119 Å²	119	108.7 Å²	108.7	77%	0.773	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.7	-177.8	29.1	-36.4	0	0	0	113.5	N52	N52-P54 WeakPolarHBondContact O-CD 3.43Å
55	N	95.9	Very high	95.8	Very high	135 Å²	135	106.9 Å²	106.9	72%	0.722	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.2	-179.5	-64.6	-41.8	0	0	0	112.5	D53 R57	D53-N55 PolarHBondContact O-N 3.19Å; D53-N55 WeakPolarHBondContact OD1-CB 3.45Å; D53-N55 PolarHBondContact OD1-N 3.2Å; N55-R57 PolarHBondContact O-N 2.87Å
56	R	93.3	Very high	95.8	Very high	86 Å²	86	102.6 Å²	102.6	33%	0.325	53%	0.525	S	S	.	.			trans	-72.6	124.4	-177.7	-172.9	-179.3	-172.9	123.5	11.5	111.1	Q50 D53 L59 I60	Q50-R56 WeakPolarHBondContact O-CD 3.37Å; D53-R56 HydrophobicContact CB-CB 4.17Å; D53-R56 PolarHBondContact O-N 2.92Å; R56-L59 PolarHBondContact NH2-O 3.47Å; R56-I60 VanDerWaalsContact NH2-CA 3.34Å
57	R	89.8	Confident	95.8	Very high	245 Å²	245	105.4 Å²	105.4	93%	0.925	53%	0.531	S	S	*	.			trans	-124.9	83.6	174.5	-61.3	-179.7	-176.1	-177.9	1	109.5	N55	N55-R57 PolarHBondContact O-N 2.87Å
58	G	93.3	Very high	95.8	Very high	60 Å²	60	107.2 Å²	107.2	62%	0.619	54%	0.537	S	S	*	.	S	Bend	trans	162.3	176.5	178.6	0	0	0	0	0	114.4
59	L	93.4	Very high	95.8	Very high	154 Å²	154	106.1 Å²	106.1	81%	0.806	54%	0.535	S	S	*	.			trans	-67	145.9	178.5	-176.7	64.1	0	0	0	111.5	R56	R56-L59 PolarHBondContact NH2-O 3.47Å
60	I	95.4	Very high	95.8	Very high	36 Å²	36	107.6 Å²	107.6	19%	0.185	53%	0.534	C	S	.	.			trans	-84.6	110.4	169.1	-56.8	171	0	0	0	109	Y47 Y51 R56 N62	Y47-I60 HydrophobicContact CD2-CD1 4.2Å; Y47-I60 HydrophobicContact CD2-CG2 4.09Å; Y47-I60 HydrophobicContact CE2-CB 4.37Å; Y47-I60 HydrophobicContact CE2-CD1 3.63Å; Y47-I60 HydrophobicContact CE2-CG2 4.14Å; Y51-I60 HydrophobicContact CD2-CD1 3.84Å; Y51-I60 HydrophobicContact CG-CD1 4.32Å; R56-I60 VanDerWaalsContact NH2-CA 3.34Å; I60-N62 PolarHBondContact O-N 3.34Å
61	E	94.5	Very high	95.9	Very high	143 Å²	143	107.7 Å²	107.7	67%	0.668	55%	0.545	S	S	*	.			trans	-65.7	121.7	175.2	-66	-174.5	-179.3	0	0	110	P63	E61-P63 WeakPolarHBondContact O-CD 3.39Å
62	N	95.9	Very high	95.9	Very high	87 Å²	87	109 Å²	109	47%	0.465	55%	0.549	S	S	.	.			trans	-97.3	107.9	174.5	-176.4	-15.8	0	0	0	109.2	I60 A64 L65 L66	I60-N62 PolarHBondContact O-N 3.34Å; N62-A64 PolarHBondContact O-N 2.88Å; N62-A64 VanDerWaalsContact OD1-CB 3.28Å; N62-A64 WeakPolarHBondContact OD1-CB 3.23Å; N62-A64 PolarHBondContact OD1-N 3.3Å; N62-L65 HydrophobicContact CB-CB 3.98Å; N62-L65 WeakPolarHBondContact O-CB 3.42Å; N62-L65 PolarHBondContact O-N 3.28Å; N62-L65 PolarHBondContact OD1-N 3.42Å; N62-L66 PolarHBondContact O-N 2.88Å; N62-L66 VanDerWaalsContact O-N 3.09Å
63	P	96.6	Very high	95.8	Very high	65 Å²	65	109 Å²	109	42%	0.422	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-24.9	-178.5	27.2	-35.4	0	0	0	112.5	E61 R67	E61-P63 WeakPolarHBondContact O-CD 3.39Å; P63-R67 WeakPolarHBondContact O-CB 3.32Å; P63-R67 WeakPolarHBondContact O-CG 3.46Å; P63-R67 PolarHBondContact O-N 3.21Å
64	A	97.1	Very high	95.8	Very high	52 Å²	52	107.6 Å²	107.6	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-68.6	-38.4	174	0	0	0	0	0	111.6	N62 R67 W68	N62-A64 PolarHBondContact O-N 2.88Å; N62-A64 VanDerWaalsContact OD1-CB 3.28Å; N62-A64 WeakPolarHBondContact OD1-CB 3.23Å; N62-A64 PolarHBondContact OD1-N 3.3Å; A64-R67 PolarHBondContact O-N 3.33Å; A64-W68 WeakPolarHBondContact O-CB 3.44Å; A64-W68 PolarHBondContact O-N 3.26Å
65	L	97.1	Very high	95.7	Very high	101 Å²	101	105.8 Å²	105.8	53%	0.529	53%	0.532	S	S	.	.	H	α-helix	trans	-68.3	-43.1	176.4	-170.8	151.2	0	0	0	111.1	N62 R67 W68 S69	N62-L65 HydrophobicContact CB-CB 3.98Å; N62-L65 WeakPolarHBondContact O-CB 3.42Å; N62-L65 PolarHBondContact O-N 3.28Å; N62-L65 PolarHBondContact OD1-N 3.42Å; L65-R67 PolarHBondContact O-N 2.98Å; L65-W68 PolarHBondContact O-N 3.49Å; L65-S69 PolarHBondContact O-N 2.92Å; L65-S69 PolarHBondContact O-OG 3.18Å
66	L	97.6	Very high	95.6	Very high	90 Å²	90	108.7 Å²	108.7	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-42.4	175.5	-67.6	176.6	0	0	0	112.2	N62 W68 S69 Y70	N62-L66 PolarHBondContact O-N 2.88Å; N62-L66 VanDerWaalsContact O-N 3.09Å; L66-W68 VanDerWaalsContact C-N 3.34Å; L66-S69 PolarHBondContact O-OG 2.94Å; L66-Y70 WeakPolarHBondContact O-CB 3.3Å; L66-Y70 PolarHBondContact O-N 3.15Å
67	R	97.6	Very high	95.7	Very high	160 Å²	160	109 Å²	109	60%	0.604	55%	0.548	S	S	*	.	H	α-helix	trans	-66.3	-37.4	174.7	-75	-173	-65.6	-101.8	0.7	112.2	P63 A64 L65 A71	P63-R67 WeakPolarHBondContact O-CB 3.32Å; P63-R67 WeakPolarHBondContact O-CG 3.46Å; P63-R67 PolarHBondContact O-N 3.21Å; A64-R67 PolarHBondContact O-N 3.33Å; L65-R67 PolarHBondContact O-N 2.98Å; R67-A71 VanDerWaalsContact O-CB 3.3Å; R67-A71 WeakPolarHBondContact O-CB 3.41Å; R67-A71 PolarHBondContact O-N 3.03Å
68	W	97.5	Very high	95.9	Very high	150 Å²	150	103.8 Å²	103.8	57%	0.568	54%	0.538	S	S	*	.	H	α-helix	trans	-65.5	-46.4	176.5	172.9	81	0	0	0	111.9	A64 L65 L66 A71 R72	A64-W68 WeakPolarHBondContact O-CB 3.44Å; A64-W68 PolarHBondContact O-N 3.26Å; L65-W68 PolarHBondContact O-N 3.49Å; L66-W68 VanDerWaalsContact C-N 3.34Å; W68-A71 PolarHBondContact O-N 3.35Å; W68-R72 HydrophobicContact CD2-CG 4.43Å; W68-R72 HydrophobicContact CZ2-CG 4.3Å; W68-R72 VanDerWaalsContact O-CG 3.25Å; W68-R72 WeakPolarHBondContact O-CG 3.45Å; W68-R72 PolarHBondContact O-N 3.11Å; W68-R72 VanDerWaalsContact O-N 3.08Å
69	S	97.9	Very high	96	Very high	42 Å²	42	106.2 Å²	106.2	29%	0.294	53%	0.532	S	S	.	.	H	α-helix	trans	-63.6	-44	176.6	63.5	0	0	0	0	110.8	L65 L66 A71 R72 T73	L65-S69 PolarHBondContact O-N 2.92Å; L65-S69 PolarHBondContact O-OG 3.18Å; L66-S69 PolarHBondContact O-OG 2.94Å; S69-A71 PolarHBondContact O-N 3.46Å; S69-R72 WeakPolarHBondContact O-CB 3.39Å; S69-R72 PolarHBondContact O-N 3.28Å; S69-R72 VanDerWaalsContact O-N 3.16Å; S69-T73 WeakPolarHBondContact O-CG2 3.44Å; S69-T73 PolarHBondContact O-N 3.24Å; S69-T73 PolarHBondContact O-OG1 3.22Å
70	Y	97.2	Very high	96	Very high	144 Å²	144	108 Å²	108	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-59.1	-44.4	174.8	-177.7	-99	0	0	0	112.4	L66 R72 T73 N74	L66-Y70 WeakPolarHBondContact O-CB 3.3Å; L66-Y70 PolarHBondContact O-N 3.15Å; Y70-R72 VanDerWaalsContact C-N 3.26Å; Y70-R72 PolarHBondContact O-N 3.47Å; Y70-T73 PolarHBondContact O-N 3.02Å; Y70-T73 PolarHBondContact O-OG1 3.03Å; Y70-T73 VanDerWaalsContact O-OG1 3.13Å; Y70-N74 HydrophobicContact CD1-CB 4.26Å; Y70-N74 HydrophobicContact CE1-CB 3.98Å; Y70-N74 WeakPolarHBondContact CE1-ND2 3.35Å; Y70-N74 HydrophobicContact CE2-CB 4.24Å; Y70-N74 WeakPolarHBondContact O-CB 3.27Å; Y70-N74 PolarHBondContact O-N 3.49Å; Y70-N74 PolarHBondContact OH-ND2 2.93Å
71	A	97.1	Very high	95.9	Very high	65 Å²	65	111.4 Å²	111.4	54%	0.537	55%	0.553	S	S	.	*	H	α-helix	trans	-63.8	-32.1	177.7	0	0	0	0	0	112.6	R67 W68 S69	R67-A71 VanDerWaalsContact O-CB 3.3Å; R67-A71 WeakPolarHBondContact O-CB 3.41Å; R67-A71 PolarHBondContact O-N 3.03Å; W68-A71 PolarHBondContact O-N 3.35Å; S69-A71 PolarHBondContact O-N 3.46Å
72	R	96.1	Very high	96	Very high	172 Å²	172	107.1 Å²	107.1	65%	0.649	54%	0.536	S	S	*	.	H	α-helix	trans	-75.1	-31.2	177.4	-70.9	-98.8	-69.1	-148.4	-2.9	112.9	W68 S69 Y70 V75	W68-R72 HydrophobicContact CD2-CG 4.43Å; W68-R72 HydrophobicContact CZ2-CG 4.3Å; W68-R72 VanDerWaalsContact O-CG 3.25Å; W68-R72 WeakPolarHBondContact O-CG 3.45Å; W68-R72 PolarHBondContact O-N 3.11Å; W68-R72 VanDerWaalsContact O-N 3.08Å; S69-R72 WeakPolarHBondContact O-CB 3.39Å; S69-R72 PolarHBondContact O-N 3.28Å; S69-R72 VanDerWaalsContact O-N 3.16Å; Y70-R72 VanDerWaalsContact C-N 3.26Å; Y70-R72 PolarHBondContact O-N 3.47Å; R72-V75 WeakPolarHBondContact O-CG2 3.29Å
73	T	96.6	Very high	96	Very high	110 Å²	110	108.6 Å²	108.6	68%	0.675	55%	0.55	S	S	*	*	H	α-helix	trans	-89.2	-34.1	178.9	56.9	0	0	0	0	111.9	S69 Y70 V75	S69-T73 WeakPolarHBondContact O-CG2 3.44Å; S69-T73 PolarHBondContact O-N 3.24Å; S69-T73 PolarHBondContact O-OG1 3.22Å; Y70-T73 PolarHBondContact O-N 3.02Å; Y70-T73 PolarHBondContact O-OG1 3.03Å; Y70-T73 VanDerWaalsContact O-OG1 3.13Å; T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 2.9Å; T73-V75 VanDerWaalsContact O-N 3.07Å
74	N	95.8	Very high	95.9	Very high	43 Å²	43	113.4 Å²	113.4	23%	0.23	57%	0.565	C	S	.	*			trans	-88.9	60	-175.6	-165	22.2	0	0	0	113.1	Y70 P77	Y70-N74 HydrophobicContact CD1-CB 4.26Å; Y70-N74 HydrophobicContact CE1-CB 3.98Å; Y70-N74 WeakPolarHBondContact CE1-ND2 3.35Å; Y70-N74 HydrophobicContact CE2-CB 4.24Å; Y70-N74 WeakPolarHBondContact O-CB 3.27Å; Y70-N74 PolarHBondContact O-N 3.49Å; Y70-N74 PolarHBondContact OH-ND2 2.93Å; N74-P77 WeakPolarHBondContact OD1-CD 3.49Å; N74-P77 WeakPolarHBondContact OD1-CG 3.38Å
75	V	94.1	Very high	95.8	Very high	81 Å²	81	113.7 Å²	113.7	49%	0.491	56%	0.559	S	S	.	*			trans	-84.5	-40.1	-176.1	178.9	0	0	0	0	112.2	R72 T73 N78 F79	R72-V75 WeakPolarHBondContact O-CG2 3.29Å; T73-V75 VanDerWaalsContact C-N 3.31Å; T73-V75 PolarHBondContact O-N 2.9Å; T73-V75 VanDerWaalsContact O-N 3.07Å; V75-N78 PolarHBondContact O-N 3.3Å; V75-F79 PolarHBondContact O-N 3.49Å
76	Y	93.4	Very high	95.6	Very high	196 Å²	196	112.1 Å²	112.1	77%	0.769	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-63.4	-40.4	-169.1	-74.6	-73.5	0	0	0	115.6	N78 F79	Y76-N78 PolarHBondContact O-N 2.93Å; Y76-F79 WeakPolarHBondContact O-CB 3.36Å; Y76-F79 PolarHBondContact O-N 2.86Å
77	P	96.1	Very high	95.6	Very high	94 Å²	94	113.5 Å²	113.5	61%	0.61	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-62.6	-27.2	-179.8	-28.4	39.5	0	0	0	114.1	N74	N74-P77 WeakPolarHBondContact OD1-CD 3.49Å; N74-P77 WeakPolarHBondContact OD1-CG 3.38Å
78	N	94.1	Very high	95.5	Very high	135 Å²	135	110.5 Å²	110.5	72%	0.722	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-94.9	-4.2	178.3	-65.1	-46	0	0	0	112.7	V75 Y76	V75-N78 PolarHBondContact O-N 3.3Å; Y76-N78 PolarHBondContact O-N 2.93Å
79	F	94.4	Very high	95.4	Very high	110 Å²	110	105.6 Å²	105.6	48%	0.482	56%	0.555	S	S	.	*			trans	-74.6	128.5	179.1	177.7	-100.2	0	0	0	110.6	V75 Y76 P81 N85	V75-F79 PolarHBondContact O-N 3.49Å; Y76-F79 WeakPolarHBondContact O-CB 3.36Å; Y76-F79 PolarHBondContact O-N 2.86Å; F79-P81 HydrophobicContact CE1-CB 4.41Å; F79-N85 HydrophobicContact CE2-CB 4.08Å; F79-N85 HydrophobicContact CZ-CB 4.33Å
80	R	94.3	Very high	95.3	Very high	193 Å²	193	106 Å²	106	73%	0.728	56%	0.561	S	S	*	*			trans	-115.6	128.9	173	-64.6	-176	-178.8	-178.7	0	109.7	T82 N85	R80-T82 VanDerWaalsContact C-N 3.33Å; R80-T82 HydrophobicContact CB-CG2 4.23Å; R80-T82 PolarHBondContact O-N 3.22Å; R80-N85 PolarHBondContact O-ND2 3.08Å
81	P	92.8	Very high	95.3	Very high	107 Å²	107	103 Å²	103	70%	0.695	56%	0.557	S	S	*	*			trans	-71.4	91.4	173.7	29.8	-32.8	0	0	0	109	F79	F79-P81 HydrophobicContact CE1-CB 4.41Å
82	T	96.3	Very high	95.3	Very high	53 Å²	53	106.8 Å²	106.8	33%	0.325	56%	0.562	S	S	.	*			trans	-103	155.2	174.2	63.1	0	0	0	0	110	R80 K84 N85 S86	R80-T82 VanDerWaalsContact C-N 3.33Å; R80-T82 HydrophobicContact CB-CG2 4.23Å; R80-T82 PolarHBondContact O-N 3.22Å; T82-K84 PolarHBondContact O-N 3.5Å; T82-N85 PolarHBondContact O-N 2.94Å; T82-N85 WeakPolarHBondContact OG1-CB 3.28Å; T82-N85 PolarHBondContact OG1-N 2.91Å; T82-N85 PolarHBondContact OG1-ND2 3.33Å; T82-N85 PolarHBondContact OG1-OD1 2.87Å; T82-S86 PolarHBondContact O-N 2.79Å; T82-S86 PolarHBondContact O-OG 3.13Å
83	P	95.9	Very high	95.3	Very high	117 Å²	117	100.7 Å²	100.7	76%	0.76	55%	0.553	S	S	*	*	H	α-helix	trans	-53.9	-39.2	178.8	-27.7	34.9	0	0	0	113.4	L87	P83-L87 VanDerWaalsContact O-CB 3.28Å; P83-L87 WeakPolarHBondContact O-CB 3.25Å; P83-L87 PolarHBondContact O-N 3.21Å
84	K	95.4	Very high	95.3	Very high	166 Å²	166	99.2 Å²	99.2	72%	0.722	54%	0.543	S	S	*	.	H	α-helix	trans	-61.8	-47.7	175.5	-176.3	-176	177.4	-177.7	0	111.9	T82 L87 L88	T82-K84 PolarHBondContact O-N 3.5Å; K84-L87 PolarHBondContact O-N 3.28Å; K84-L88 WeakPolarHBondContact O-CB 3.4Å; K84-L88 PolarHBondContact O-N 3.34Å
85	N	94.4	Very high	95.4	Very high	59 Å²	59	98.6 Å²	98.6	32%	0.316	55%	0.547	S	S	.	.	H	α-helix	trans	-68	-41.3	-178.5	-67.6	-5.2	0	0	0	111.3	F79 R80 T82 L88 G89	F79-N85 HydrophobicContact CE2-CB 4.08Å; F79-N85 HydrophobicContact CZ-CB 4.33Å; R80-N85 PolarHBondContact O-ND2 3.08Å; T82-N85 PolarHBondContact O-N 2.94Å; T82-N85 WeakPolarHBondContact OG1-CB 3.28Å; T82-N85 PolarHBondContact OG1-N 2.91Å; T82-N85 PolarHBondContact OG1-ND2 3.33Å; T82-N85 PolarHBondContact OG1-OD1 2.87Å; N85-L88 PolarHBondContact O-N 3.16Å; N85-G89 PolarHBondContact O-N 3.4Å
86	S	93.4	Very high	95.6	Very high	68 Å²	68	97.7 Å²	97.7	48%	0.476	54%	0.543	S	S	.	.	H	α-helix	trans	-64.7	-43.1	176.8	-60.8	0	0	0	0	111.7	T82 G89 A90	T82-S86 PolarHBondContact O-N 2.79Å; T82-S86 PolarHBondContact O-OG 3.13Å; S86-G89 PolarHBondContact O-N 3.33Å; S86-A90 WeakPolarHBondContact O-CB 3.48Å; S86-A90 PolarHBondContact O-N 2.95Å
87	L	96.4	Very high	95.8	Very high	118 Å²	118	94 Å²	94	62%	0.618	54%	0.536	S	S	*	.	H	α-helix	trans	-63.1	-45	175.9	-177.3	66.4	0	0	0	111.3	P83 K84 G89 A90 V91	P83-L87 VanDerWaalsContact O-CB 3.28Å; P83-L87 WeakPolarHBondContact O-CB 3.25Å; P83-L87 PolarHBondContact O-N 3.21Å; K84-L87 PolarHBondContact O-N 3.28Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 2.89Å; L87-A90 PolarHBondContact O-N 3.46Å; L87-V91 HydrophobicContact CD1-CG2 4.24Å; L87-V91 HydrophobicContact CG-CG2 4.42Å; L87-V91 WeakPolarHBondContact O-CB 3.3Å; L87-V91 VanDerWaalsContact O-CG2 3.29Å; L87-V91 WeakPolarHBondContact O-CG2 3.49Å; L87-V91 PolarHBondContact O-N 3.03Å
88	L	97	Very high	95.8	Very high	98 Å²	98	94.2 Å²	94.2	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-59.9	-45.9	176.1	-165	74.6	0	0	0	111	K84 N85 A90 V91 F92	K84-L88 WeakPolarHBondContact O-CB 3.4Å; K84-L88 PolarHBondContact O-N 3.34Å; N85-L88 PolarHBondContact O-N 3.16Å; L88-A90 PolarHBondContact O-N 3.45Å; L88-V91 PolarHBondContact O-N 3.07Å; L88-F92 HydrophobicContact CD1-CD2 3.5Å; L88-F92 VanDerWaalsContact CD1-CD2 3.5Å; L88-F92 HydrophobicContact CD1-CE2 3.31Å; L88-F92 HydrophobicContact CG-CD2 3.8Å; L88-F92 HydrophobicContact CG-CE2 4.13Å; L88-F92 WeakPolarHBondContact O-CB 3.39Å; L88-F92 VanDerWaalsContact O-CD2 3.3Å; L88-F92 WeakPolarHBondContact O-CD2 3.3Å; L88-F92 PolarHBondContact O-N 3.2Å
89	G	94.6	Very high	96	Very high	47 Å²	47	94 Å²	94	49%	0.485	52%	0.524	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176.5	0	0	0	0	0	113.1	N85 S86 L87 G93	N85-G89 PolarHBondContact O-N 3.4Å; S86-G89 PolarHBondContact O-N 3.33Å; L87-G89 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 2.89Å; G89-G93 VanDerWaalsContact O-CA 3.27Å; G89-G93 WeakPolarHBondContact O-CA 3.46Å; G89-G93 PolarHBondContact O-N 2.93Å
90	A	96.2	Very high	96.2	Very high	51 Å²	51	93.1 Å²	93.1	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-66.8	-46.7	177.7	0	0	0	0	0	111.9	S86 L87 L88 V94 G95	S86-A90 WeakPolarHBondContact O-CB 3.48Å; S86-A90 PolarHBondContact O-N 2.95Å; L87-A90 PolarHBondContact O-N 3.46Å; L88-A90 PolarHBondContact O-N 3.45Å; A90-V94 WeakPolarHBondContact O-CA 3.11Å; A90-V94 WeakPolarHBondContact O-CB 3.44Å; A90-V94 PolarHBondContact O-N 3.39Å; A90-G95 PolarHBondContact O-N 3.4Å
91	V	97.4	Very high	96.4	Very high	79 Å²	79	90.3 Å²	90.3	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-46.9	-179.7	171.2	0	0	0	0	111.1	L87 L88 G95 P96	L87-V91 HydrophobicContact CD1-CG2 4.24Å; L87-V91 HydrophobicContact CG-CG2 4.42Å; L87-V91 WeakPolarHBondContact O-CB 3.3Å; L87-V91 VanDerWaalsContact O-CG2 3.29Å; L87-V91 WeakPolarHBondContact O-CG2 3.49Å; L87-V91 PolarHBondContact O-N 3.03Å; L88-V91 PolarHBondContact O-N 3.07Å; V91-G95 VanDerWaalsContact O-CA 3.23Å; V91-G95 WeakPolarHBondContact O-CA 3.32Å; V91-G95 PolarHBondContact O-N 3.43Å; V91-P96 WeakPolarHBondContact O-CD 3.41Å
92	F	96.7	Very high	96.6	Very high	146 Å²	146	88.5 Å²	88.5	64%	0.64	50%	0.503	S	S	*	.	H	α-helix	trans	-87.2	-21.9	-175.8	-72.8	-77.1	0	0	0	114	L88 P96	L88-F92 HydrophobicContact CD1-CD2 3.5Å; L88-F92 VanDerWaalsContact CD1-CD2 3.5Å; L88-F92 HydrophobicContact CD1-CE2 3.31Å; L88-F92 HydrophobicContact CG-CD2 3.8Å; L88-F92 HydrophobicContact CG-CE2 4.13Å; L88-F92 WeakPolarHBondContact O-CB 3.39Å; L88-F92 VanDerWaalsContact O-CD2 3.3Å; L88-F92 WeakPolarHBondContact O-CD2 3.3Å; L88-F92 PolarHBondContact O-N 3.2Å; F92-P96 WeakPolarHBondContact O-CD 3.36Å; F92-P96 WeakPolarHBondContact O-CG 3.28Å
93	G	95.6	Very high	96.7	Very high	44 Å²	44	90.1 Å²	90.1	45%	0.454	51%	0.509	S	S	.	.	H	α-helix	trans	-88.5	-51.6	176.4	0	0	0	0	0	113	G89	G89-G93 VanDerWaalsContact O-CA 3.27Å; G89-G93 WeakPolarHBondContact O-CA 3.46Å; G89-G93 PolarHBondContact O-N 2.93Å
94	V	97.2	Very high	96.8	Very high	78 Å²	78	89.2 Å²	89.2	47%	0.473	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-33.5	-175	-176.7	0	0	0	0	111.8	A90 L97 I98	A90-V94 WeakPolarHBondContact O-CA 3.11Å; A90-V94 WeakPolarHBondContact O-CB 3.44Å; A90-V94 PolarHBondContact O-N 3.39Å; V94-L97 WeakPolarHBondContact O-CB 3.2Å; V94-L97 PolarHBondContact O-N 3.29Å; V94-L97 VanDerWaalsContact O-N 3.11Å; V94-I98 HydrophobicContact CG1-CD1 3.71Å; V94-I98 HydrophobicContact CG1-CG1 4.04Å; V94-I98 PolarHBondContact O-N 3.19Å; V94-I98 VanDerWaalsContact O-N 3.11Å
95	G	97.4	Very high	96.9	Very high	30 Å²	30	85.6 Å²	85.6	31%	0.309	48%	0.481	S	S	.	.	H	α-helix	trans	-53.2	-51.4	-177.9	0	0	0	0	0	114.2	A90 V91 L97 I98 F99	A90-G95 PolarHBondContact O-N 3.4Å; V91-G95 VanDerWaalsContact O-CA 3.23Å; V91-G95 WeakPolarHBondContact O-CA 3.32Å; V91-G95 PolarHBondContact O-N 3.43Å; G95-L97 VanDerWaalsContact C-N 3.28Å; G95-L97 PolarHBondContact O-N 3.04Å; G95-I98 PolarHBondContact O-N 2.85Å; G95-F99 WeakPolarHBondContact O-CB 3.42Å; G95-F99 PolarHBondContact O-N 3.48Å
96	P	97.9	Very high	97.1	Very high	62 Å²	62	85.7 Å²	85.7	40%	0.403	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-33.9	178.1	-25.9	35.5	0	0	0	113.6	V91 F92 F99 L100	V91-P96 WeakPolarHBondContact O-CD 3.41Å; F92-P96 WeakPolarHBondContact O-CD 3.36Å; F92-P96 WeakPolarHBondContact O-CG 3.28Å; P96-F99 PolarHBondContact O-N 2.97Å; P96-L100 WeakPolarHBondContact O-CB 3.39Å; P96-L100 VanDerWaalsContact O-CG 3.31Å; P96-L100 WeakPolarHBondContact O-CG 3.5Å; P96-L100 PolarHBondContact O-N 3.22Å
97	L	97.7	Very high	97.2	Very high	118 Å²	118	87.1 Å²	87.1	62%	0.618	49%	0.492	S	S	*	.	H	α-helix	trans	-67.1	-46.5	178.8	-62.4	176.3	0	0	0	111.3	V94 G95 F99 L100 Y101	V94-L97 WeakPolarHBondContact O-CB 3.2Å; V94-L97 PolarHBondContact O-N 3.29Å; V94-L97 VanDerWaalsContact O-N 3.11Å; G95-L97 VanDerWaalsContact C-N 3.28Å; G95-L97 PolarHBondContact O-N 3.04Å; L97-F99 VanDerWaalsContact C-N 3.31Å; L97-F99 PolarHBondContact O-N 3.32Å; L97-L100 PolarHBondContact O-N 3.12Å; L97-Y101 VanDerWaalsContact O-CB 3.29Å; L97-Y101 WeakPolarHBondContact O-CB 3.3Å; L97-Y101 PolarHBondContact O-N 3.42Å
98	I	97.8	Very high	97.3	Very high	99 Å²	99	88.5 Å²	88.5	51%	0.508	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-42.7	176	-64.1	175.7	0	0	0	110.1	V94 G95 Y101 C102	V94-I98 HydrophobicContact CG1-CD1 3.71Å; V94-I98 HydrophobicContact CG1-CG1 4.04Å; V94-I98 PolarHBondContact O-N 3.19Å; V94-I98 VanDerWaalsContact O-N 3.11Å; G95-I98 PolarHBondContact O-N 2.85Å; I98-Y101 WeakPolarHBondContact O-CB 3.3Å; I98-Y101 PolarHBondContact O-N 3.28Å; I98-C102 PolarHBondContact O-N 3.25Å; I98-C102 PolarHBondContact O-SG 3.13Å; I98-C102 VanDerWaalsContact O-SG 3.35Å
99	F	97.8	Very high	97.3	Very high	131 Å²	131	87.9 Å²	87.9	58%	0.575	49%	0.487	S	S	*	.	H	α-helix	trans	-59.6	-51.2	178.7	177.7	-105.4	0	0	0	112.1	G95 P96 L97 Y101 C102 I103	G95-F99 WeakPolarHBondContact O-CB 3.42Å; G95-F99 PolarHBondContact O-N 3.48Å; P96-F99 PolarHBondContact O-N 2.97Å; L97-F99 VanDerWaalsContact C-N 3.31Å; L97-F99 PolarHBondContact O-N 3.32Å; F99-Y101 VanDerWaalsContact C-N 3.33Å; F99-Y101 PolarHBondContact O-N 3.32Å; F99-C102 PolarHBondContact O-N 3.44Å; F99-I103 HydrophobicContact CD1-CD1 3.9Å; F99-I103 HydrophobicContact CD2-CD1 4.35Å; F99-I103 HydrophobicContact CE1-CD1 3.36Å; F99-I103 HydrophobicContact CE2-CD1 3.87Å; F99-I103 HydrophobicContact CG-CD1 4.38Å; F99-I103 HydrophobicContact CZ-CD1 3.37Å; F99-I103 HydrophobicContact CZ-CG1 4.5Å; F99-I103 WeakPolarHBondContact O-CG1 3.26Å; F99-I103 PolarHBondContact O-N 2.96Å; F99-I103 VanDerWaalsContact O-N 3.12Å
100	L	97.9	Very high	97.3	Very high	91 Å²	91	93.9 Å²	93.9	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-39.8	177.1	-71.7	173.2	0	0	0	111.9	P96 L97 C102 I103 I104	P96-L100 WeakPolarHBondContact O-CB 3.39Å; P96-L100 VanDerWaalsContact O-CG 3.31Å; P96-L100 WeakPolarHBondContact O-CG 3.5Å; P96-L100 PolarHBondContact O-N 3.22Å; L97-L100 PolarHBondContact O-N 3.12Å; L100-C102 PolarHBondContact O-N 3.29Å; L100-I103 PolarHBondContact O-N 2.85Å; L100-I104 WeakPolarHBondContact O-CB 3.44Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.37Å; L100-I104 PolarHBondContact O-N 3.24Å
101	Y	97.9	Very high	97.2	Very high	134 Å²	134	96.3 Å²	96.3	53%	0.525	50%	0.496	S	S	.	.	H	α-helix	trans	-56.9	-49.2	175.2	173.3	-96.6	0	0	0	111.5	L97 I98 F99 I103 K105	L97-Y101 VanDerWaalsContact O-CB 3.29Å; L97-Y101 WeakPolarHBondContact O-CB 3.3Å; L97-Y101 PolarHBondContact O-N 3.42Å; I98-Y101 WeakPolarHBondContact O-CB 3.3Å; I98-Y101 PolarHBondContact O-N 3.28Å; F99-Y101 VanDerWaalsContact C-N 3.33Å; F99-Y101 PolarHBondContact O-N 3.32Å; Y101-I103 PolarHBondContact O-N 3.39Å; Y101-K105 HydrophobicContact CE1-CD 3.72Å; Y101-K105 HydrophobicContact CE2-CD 4.39Å; Y101-K105 WeakPolarHBondContact O-CB 3.33Å; Y101-K105 PolarHBondContact O-N 3.22Å; Y101-K105 WeakPolarHBondContact OH-CD 3.32Å; Y101-K105 PolarHBondContact OH-NZ 2.97Å
102	C	97.9	Very high	97.1	Very high	70 Å²	70	96.2 Å²	96.2	47%	0.473	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-42.7	-180	-71	0	0	0	0	112.3	I98 F99 L100 A106	I98-C102 PolarHBondContact O-N 3.25Å; I98-C102 PolarHBondContact O-SG 3.13Å; I98-C102 VanDerWaalsContact O-SG 3.35Å; F99-C102 PolarHBondContact O-N 3.44Å; L100-C102 PolarHBondContact O-N 3.29Å; C102-A106 VanDerWaalsContact O-CB 3.26Å; C102-A106 WeakPolarHBondContact O-CB 3.37Å; C102-A106 PolarHBondContact O-N 3.44Å
103	I	98.3	Very high	97.1	Very high	86 Å²	86	95.5 Å²	95.5	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-52.7	178.5	-68.2	174.1	0	0	0	110.7	F99 L100 Y101 K105 A106 D107	F99-I103 HydrophobicContact CD1-CD1 3.9Å; F99-I103 HydrophobicContact CD2-CD1 4.35Å; F99-I103 HydrophobicContact CE1-CD1 3.36Å; F99-I103 HydrophobicContact CE2-CD1 3.87Å; F99-I103 HydrophobicContact CG-CD1 4.38Å; F99-I103 HydrophobicContact CZ-CD1 3.37Å; F99-I103 HydrophobicContact CZ-CG1 4.5Å; F99-I103 WeakPolarHBondContact O-CG1 3.26Å; F99-I103 PolarHBondContact O-N 2.96Å; F99-I103 VanDerWaalsContact O-N 3.12Å; L100-I103 PolarHBondContact O-N 2.85Å; Y101-I103 PolarHBondContact O-N 3.39Å; I103-K105 VanDerWaalsContact C-N 3.3Å; I103-K105 PolarHBondContact O-N 2.85Å; I103-A106 PolarHBondContact O-N 3.5Å; I103-D107 PolarHBondContact O-N 3.28Å
104	I	98	Very high	97	Very high	98 Å²	98	95.9 Å²	95.9	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-63	-42.2	-177.7	-67.4	168.2	0	0	0	109.9	L100 D107 R108	L100-I104 WeakPolarHBondContact O-CB 3.44Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.37Å; L100-I104 PolarHBondContact O-N 3.24Å; I104-D107 PolarHBondContact O-N 2.95Å; I104-R108 HydrophobicContact CG2-CG 4.26Å; I104-R108 WeakPolarHBondContact O-CB 3.33Å; I104-R108 WeakPolarHBondContact O-CG 3.43Å; I104-R108 PolarHBondContact O-N 3.49Å
105	K	97.9	Very high	96.8	Very high	91 Å²	91	95.2 Å²	95.2	40%	0.396	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-48	178.2	-177.2	169.4	-174.7	175.6	0	111.9	Y101 I103 D107 R108 D109	Y101-K105 HydrophobicContact CE1-CD 3.72Å; Y101-K105 HydrophobicContact CE2-CD 4.39Å; Y101-K105 WeakPolarHBondContact O-CB 3.33Å; Y101-K105 PolarHBondContact O-N 3.22Å; Y101-K105 WeakPolarHBondContact OH-CD 3.32Å; Y101-K105 PolarHBondContact OH-NZ 2.97Å; I103-K105 VanDerWaalsContact C-N 3.3Å; I103-K105 PolarHBondContact O-N 2.85Å; K105-D107 VanDerWaalsContact C-N 3.29Å; K105-D107 PolarHBondContact O-N 2.92Å; K105-R108 PolarHBondContact O-N 3.4Å; K105-D109 WeakPolarHBondContact CG-OD2 3.28Å; K105-D109 WeakPolarHBondContact O-CB 3.21Å; K105-D109 PolarHBondContact O-N 3.06Å
106	A	97.6	Very high	96.5	Very high	61 Å²	61	103.6 Å²	103.6	50%	0.504	49%	0.493	S	S	.	.	H	α-helix	trans	-60.3	-40.3	178.5	0	0	0	0	0	112.2	C102 I103 R110	C102-A106 VanDerWaalsContact O-CB 3.26Å; C102-A106 WeakPolarHBondContact O-CB 3.37Å; C102-A106 PolarHBondContact O-N 3.44Å; I103-A106 PolarHBondContact O-N 3.5Å; A106-R110 VanDerWaalsContact O-CB 3.24Å; A106-R110 WeakPolarHBondContact O-CB 3.37Å; A106-R110 PolarHBondContact O-N 3.28Å
107	D	97.2	Very high	96.4	Very high	98 Å²	98	104.7 Å²	104.7	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-44.3	176.6	-170.8	58.4	0	0	0	112	I103 I104 K105 R110 K111	I103-D107 PolarHBondContact O-N 3.28Å; I104-D107 PolarHBondContact O-N 2.95Å; K105-D107 VanDerWaalsContact C-N 3.29Å; K105-D107 PolarHBondContact O-N 2.92Å; D107-R110 PolarHBondContact O-N 3.43Å; D107-K111 VanDerWaalsContact O-CB 3.32Å; D107-K111 WeakPolarHBondContact O-CB 3.4Å; D107-K111 PolarHBondContact O-N 3.43Å
108	R	96.6	Very high	96.1	Very high	146 Å²	146	102.2 Å²	102.2	55%	0.551	50%	0.496	S	S	*	.	H	α-helix	trans	-61.6	-49.1	176.3	-74.1	-179.1	67.6	90.5	11.7	112.1	I104 K105 R110 K111 E112	I104-R108 HydrophobicContact CG2-CG 4.26Å; I104-R108 WeakPolarHBondContact O-CB 3.33Å; I104-R108 WeakPolarHBondContact O-CG 3.43Å; I104-R108 PolarHBondContact O-N 3.49Å; K105-R108 PolarHBondContact O-N 3.4Å; R108-R110 VanDerWaalsContact C-N 3.3Å; R108-R110 PolarHBondContact O-N 2.93Å; R108-K111 PolarHBondContact O-N 2.92Å; R108-E112 IonicContact NH2-OE1 3.83Å; R108-E112 WeakPolarHBondContact O-CB 3.35Å; R108-E112 WeakPolarHBondContact O-CG 3.06Å; R108-E112 PolarHBondContact O-N 3.09Å
109	D	97.1	Very high	95.8	Very high	86 Å²	86	104.6 Å²	104.6	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-40.5	-179.7	-68	-15.4	0	0	0	110.6	K105 K113	K105-D109 WeakPolarHBondContact CG-OD2 3.28Å; K105-D109 WeakPolarHBondContact O-CB 3.21Å; K105-D109 PolarHBondContact O-N 3.06Å; D109-K113 WeakPolarHBondContact O-CB 3.11Å; D109-K113 PolarHBondContact O-N 3.2Å
110	R	95.6	Very high	95.4	Very high	173 Å²	173	101.1 Å²	101.1	65%	0.653	49%	0.49	S	S	*	.	H	α-helix	trans	-62.7	-47.3	174.1	-179.2	-177	179.1	-175.2	0.3	111.6	A106 D107 R108 K113 L114	A106-R110 VanDerWaalsContact O-CB 3.24Å; A106-R110 WeakPolarHBondContact O-CB 3.37Å; A106-R110 PolarHBondContact O-N 3.28Å; D107-R110 PolarHBondContact O-N 3.43Å; R108-R110 VanDerWaalsContact C-N 3.3Å; R108-R110 PolarHBondContact O-N 2.93Å; R110-K113 PolarHBondContact O-N 3.48Å; R110-L114 HydrophobicContact CG-CD1 4.29Å; R110-L114 WeakPolarHBondContact O-CG 3.37Å; R110-L114 PolarHBondContact O-N 3.33Å
111	K	94.8	Very high	94.8	Very high	102 Å²	102	102.8 Å²	102.8	44%	0.443	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-45.2	-179.7	-173.2	177.6	179.7	179.1	0	111.2	D107 R108 K113 L114 I115 L120	D107-K111 VanDerWaalsContact O-CB 3.32Å; D107-K111 WeakPolarHBondContact O-CB 3.4Å; D107-K111 PolarHBondContact O-N 3.43Å; R108-K111 PolarHBondContact O-N 2.92Å; K111-K113 VanDerWaalsContact C-N 3.33Å; K111-K113 PolarHBondContact O-N 3.01Å; K111-L114 PolarHBondContact O-N 2.94Å; K111-I115 HydrophobicContact CG-CD1 4.15Å; K111-I115 VanDerWaalsContact O-CG1 3.29Å; K111-I115 WeakPolarHBondContact O-CG1 3.32Å; K111-I115 PolarHBondContact O-N 3.41Å; K111-L120 HydrophobicContact CG-CD2 3.91Å
112	E	94.7	Very high	94.1	Very high	77 Å²	77	102 Å²	102	36%	0.36	50%	0.495	S	S	.	.	H	α-helix	trans	-61.1	-41.7	176.2	-75	-175.7	-162.3	0	0	111.8	R108 I115 R116	R108-E112 IonicContact NH2-OE1 3.83Å; R108-E112 WeakPolarHBondContact O-CB 3.35Å; R108-E112 WeakPolarHBondContact O-CG 3.06Å; R108-E112 PolarHBondContact O-N 3.09Å; E112-I115 PolarHBondContact O-N 2.82Å; E112-R116 WeakPolarHBondContact O-CG 3.33Å; E112-R116 PolarHBondContact O-N 3.49Å; E112-R116 IonicContact OE2-NH2 3.9Å
113	K	96.1	Very high	93.4	Very high	131 Å²	131	103.2 Å²	103.2	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-60.5	-46	175.1	-174.5	176.6	176.9	178.6	0	112	D109 R110 K111 I115 R116 E117	D109-K113 WeakPolarHBondContact O-CB 3.11Å; D109-K113 PolarHBondContact O-N 3.2Å; R110-K113 PolarHBondContact O-N 3.48Å; K111-K113 VanDerWaalsContact C-N 3.33Å; K111-K113 PolarHBondContact O-N 3.01Å; K113-I115 VanDerWaalsContact C-N 3.31Å; K113-I115 PolarHBondContact O-N 2.99Å; K113-R116 PolarHBondContact O-N 2.96Å; K113-E117 WeakPolarHBondContact CE-OE1 3.21Å; K113-E117 WeakPolarHBondContact CG-OE1 3.48Å; K113-E117 WeakPolarHBondContact O-CG 3.37Å; K113-E117 PolarHBondContact O-N 3.23Å
114	L	94.7	Very high	92.9	Very high	51 Å²	51	108 Å²	108	27%	0.267	52%	0.518	S	S	.	.	H	α-helix	trans	-65.4	-33.2	178.6	-68.2	171.3	0	0	0	112.9	R110 K111 G118 K119 L120	R110-L114 HydrophobicContact CG-CD1 4.29Å; R110-L114 WeakPolarHBondContact O-CG 3.37Å; R110-L114 PolarHBondContact O-N 3.33Å; K111-L114 PolarHBondContact O-N 2.94Å; L114-G118 PolarHBondContact O-N 3.46Å; L114-K119 HydrophobicContact CD2-CB 4.13Å; L114-K119 PolarHBondContact O-N 2.9Å; L114-L120 HydrophobicContact CB-CB 3.95Å; L114-L120 HydrophobicContact CD1-CD1 4.43Å; L114-L120 PolarHBondContact O-N 3.24Å
115	I	92.2	Very high	92	Very high	64 Å²	64	108.6 Å²	108.6	33%	0.328	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-47.3	173.4	-68.1	165.1	0	0	0	110.3	K111 E112 K113 E117 G118 L120	K111-I115 HydrophobicContact CG-CD1 4.15Å; K111-I115 VanDerWaalsContact O-CG1 3.29Å; K111-I115 WeakPolarHBondContact O-CG1 3.32Å; K111-I115 PolarHBondContact O-N 3.41Å; E112-I115 PolarHBondContact O-N 2.82Å; K113-I115 VanDerWaalsContact C-N 3.31Å; K113-I115 PolarHBondContact O-N 2.99Å; I115-E117 VanDerWaalsContact C-N 3.31Å; I115-E117 PolarHBondContact O-N 2.93Å; I115-G118 PolarHBondContact O-N 3.26Å; I115-L120 HydrophobicContact CD1-CD2 4.03Å; I115-L120 HydrophobicContact CG1-CB 4.23Å; I115-L120 HydrophobicContact CG1-CD2 3.5Å; I115-L120 VanDerWaalsContact CG1-CD2 3.5Å; I115-L120 HydrophobicContact CG1-CG 4.49Å
116	R	92.1	Very high	91.3	Very high	206 Å²	206	111.8 Å²	111.8	78%	0.777	54%	0.539	S	S	*	.	H	α-helix	trans	-63.9	-36.3	179.7	-70.3	178.8	-169.4	-174.9	7.6	112.7	E112 K113 G118	E112-R116 WeakPolarHBondContact O-CG 3.33Å; E112-R116 PolarHBondContact O-N 3.49Å; E112-R116 IonicContact OE2-NH2 3.9Å; K113-R116 PolarHBondContact O-N 2.96Å; R116-G118 PolarHBondContact O-N 2.85Å
117	E	95.3	Very high	90.2	Very high	86 Å²	86	114.2 Å²	114.2	40%	0.402	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	-4.4	176	-68.3	178.2	-167.1	0	0	113.3	K113 I115 K119	K113-E117 WeakPolarHBondContact CE-OE1 3.21Å; K113-E117 WeakPolarHBondContact CG-OE1 3.48Å; K113-E117 WeakPolarHBondContact O-CG 3.37Å; K113-E117 PolarHBondContact O-N 3.23Å; I115-E117 VanDerWaalsContact C-N 3.31Å; I115-E117 PolarHBondContact O-N 2.93Å; E117-K119 HydrophobicContact CB-CD 4.11Å; E117-K119 HydrophobicContact CB-CG 4.05Å; E117-K119 PolarHBondContact O-N 3.23Å; E117-K119 WeakPolarHBondContact OE2-CD 3.36Å; E117-K119 VanDerWaalsContact OE2-CE 3.3Å; E117-K119 WeakPolarHBondContact OE2-CE 3.44Å; E117-K119 IonicContact OE2-NZ 2.72Å; E117-K119 PolarHBondContact OE2-NZ 2.96Å
118	G	90.5	Very high	87.9	Confident	65 Å²	65	119.2 Å²	119.2	67%	0.67	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.1	15.2	-176.9	0	0	0	0	0	114.2	L114 I115 R116	L114-G118 PolarHBondContact O-N 3.46Å; I115-G118 PolarHBondContact O-N 3.26Å; R116-G118 PolarHBondContact O-N 2.85Å
119	K	91.7	Very high	87.5	Confident	149 Å²	149	117.9 Å²	117.9	65%	0.648	60%	0.595	S	S	*	*			trans	-89.9	-12.6	-176.8	-68.1	179.5	-174.4	161.7	0	113.5	L114 E117	L114-K119 HydrophobicContact CD2-CB 4.13Å; L114-K119 PolarHBondContact O-N 2.9Å; E117-K119 HydrophobicContact CB-CD 4.11Å; E117-K119 HydrophobicContact CB-CG 4.05Å; E117-K119 PolarHBondContact O-N 3.23Å; E117-K119 WeakPolarHBondContact OE2-CD 3.36Å; E117-K119 VanDerWaalsContact OE2-CE 3.3Å; E117-K119 WeakPolarHBondContact OE2-CE 3.44Å; E117-K119 IonicContact OE2-NZ 2.72Å; E117-K119 PolarHBondContact OE2-NZ 2.96Å
120	L	88.6	Confident	87	Confident	59 Å²	59	119.6 Å²	119.6	31%	0.309	60%	0.602	S	S	.	*	S	Bend	trans	-89.9	119.1	179.2	-167.1	67.4	0	0	0	110.6	K111 L114 I115 R122	K111-L120 HydrophobicContact CG-CD2 3.91Å; L114-L120 HydrophobicContact CB-CB 3.95Å; L114-L120 HydrophobicContact CD1-CD1 4.43Å; L114-L120 PolarHBondContact O-N 3.24Å; I115-L120 HydrophobicContact CD1-CD2 4.03Å; I115-L120 HydrophobicContact CG1-CB 4.23Å; I115-L120 HydrophobicContact CG1-CD2 3.5Å; I115-L120 VanDerWaalsContact CG1-CD2 3.5Å; I115-L120 HydrophobicContact CG1-CG 4.49Å; L120-R122 HydrophobicContact CD2-CG 4.14Å; L120-R122 HydrophobicContact CG-CG 4.16Å; L120-R122 PolarHBondContact O-N 3.4Å
121	D	85.6	Confident	86.5	Confident	125 Å²	125	116.6 Å²	116.6	67%	0.668	60%	0.599	S	S	*	*			trans	-69.2	118	173.5	-173.4	6.7	0	0	0	110.6	T123	D121-T123 VanDerWaalsContact OD1-CG2 3.31Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.38Å; D121-T123 PolarHBondContact OD1-N 2.96Å; D121-T123 PolarHBondContact OD1-OG1 3.46Å
122	R	82.9	Confident	86	Confident	119 Å²	119	117.5 Å²	117.5	45%	0.449	61%	0.609	S	S	.	*			trans	-133.7	19.6	179.8	-65.5	-173.2	66.1	-163.5	-6.7	112.4	L120 F124 Q125	L120-R122 HydrophobicContact CD2-CG 4.14Å; L120-R122 HydrophobicContact CG-CG 4.16Å; L120-R122 PolarHBondContact O-N 3.4Å; R122-F124 PolarHBondContact O-N 3.44Å; R122-F124 VanDerWaalsContact O-N 3.09Å; R122-Q125 HydrophobicContact CB-CB 4.49Å; R122-Q125 PolarHBondContact O-N 3.04Å; R122-Q125 VanDerWaalsContact O-N 3.11Å
123	T	84.4	Confident	85.5	Confident	94 Å²	94	120 Å²	120	58%	0.577	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	-37.1	-171.8	41.3	0	0	0	0	114.9	D121	D121-T123 VanDerWaalsContact OD1-CG2 3.31Å; D121-T123 WeakPolarHBondContact OD1-CG2 3.38Å; D121-T123 PolarHBondContact OD1-N 2.96Å; D121-T123 PolarHBondContact OD1-OG1 3.46Å
124	F	86.8	Confident	84.8	Confident	188 Å²	188	119.3 Å²	119.3	83%	0.825	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	9.3	-178.3	-54.6	-73.8	0	0	0	114.8	R122 L126	R122-F124 PolarHBondContact O-N 3.44Å; R122-F124 VanDerWaalsContact O-N 3.09Å; F124-L126 PolarHBondContact O-N 3.27Å; F124-L126 VanDerWaalsContact O-N 3.08Å
125	Q	80.1	Confident	84.1	Confident	110 Å²	110	124.1 Å²	124.1	51%	0.514	65%	0.654	S	S	.	*			trans	-84.1	80.6	177.3	-81.4	-176.5	-21.6	0	0	111	R122	R122-Q125 HydrophobicContact CB-CB 4.49Å; R122-Q125 PolarHBondContact O-N 3.04Å; R122-Q125 VanDerWaalsContact O-N 3.11Å
126	L	81.8	Confident	83.5	Confident	157 Å²	157	128.8 Å²	128.8	82%	0.822	68%	0.679	S	S	*	*			trans	-99.1	-12.4	-178.7	-62.5	171.7	0	0	0	113.8	F124	F124-L126 PolarHBondContact O-N 3.27Å; F124-L126 VanDerWaalsContact O-N 3.08Å
127	S	76.4	Confident	82.8	Confident	112 Å²	112	122.3 Å²	122.3	78%	0.783	67%	0.67	S	S	*	*			trans	-82.2	126	175.2	-1.2	0	0	0	0	110.2
128	C	48.9	Very low	81.6	Confident	204 Å²	204	125.6 Å²	125.6	100%	1.378	70%	0.695	S	S	*	*			trans	-60.4	0	169.3	-64.6	0	0	0	0	111.8

Retrieved 128 of 128 residues in 663.6 ms (Link to these results)

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