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NADH dehydrogenase [ubiquinone] iron-sulfur protein 5

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 (A0A6P4UPG5), UniProt , Accession A0A060KTA3, Species PANTA (Panthera tigris altaica, Siberian tiger), Gene NDUFS5, Length 106 aa.

						>A0A060KTA3_PANTA|A0A060KTA3|NDUFS5
MPFFDVQKRLGLNLDQWMTIQSAEQPHKIPGRCHAFEKEWIECAHGIGGIRAEKECKIEYDDFVECLLRQKTMKRLSDIRRQRDKLIKEGKYTPPPHHLGKEDPRP
					

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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	71.1	Confident	92	Very high	236 Å²	236	129.1 Å²	129.1	100%	1.163	65%	0.65	S	S	*	*				0	135.6	0	-65.1	-153.5	-74.5	0	0	108.3
2	P	91.3	Very high	92.2	Very high	98 Å²	98	125.3 Å²	125.3	64%	0.636	63%	0.632	S	S	*	*			trans	-70.7	141.4	178.6	29.1	-33.4	0	0	0	111.4	F4	P2-F4 HydrophobicContact CB-CE1 4.49Å; P2-F4 HydrophobicContact CB-CE2 4.04Å; P2-F4 HydrophobicContact CB-CZ 3.98Å; P2-F4 HydrophobicContact CG-CD2 4.45Å; P2-F4 HydrophobicContact CG-CE2 3.63Å; P2-F4 HydrophobicContact CG-CZ 3.82Å
3	F	93.4	Very high	92.2	Very high	178 Å²	178	122.8 Å²	122.8	78%	0.781	62%	0.621	S	S	*	*			trans	-98.7	104.5	172.9	-177.6	-104.3	0	0	0	109.3	D5	F3-D5 HydrophobicContact CD1-CB 4.26Å; F3-D5 HydrophobicContact CE1-CB 3.84Å
4	F	94.2	Very high	92.4	Very high	160 Å²	160	122.7 Å²	122.7	70%	0.702	62%	0.623	S	S	*	*			trans	-90	104	175.7	-61.8	-70.2	0	0	0	109.7	P2 V6	P2-F4 HydrophobicContact CB-CE1 4.49Å; P2-F4 HydrophobicContact CB-CE2 4.04Å; P2-F4 HydrophobicContact CB-CZ 3.98Å; P2-F4 HydrophobicContact CG-CD2 4.45Å; P2-F4 HydrophobicContact CG-CE2 3.63Å; P2-F4 HydrophobicContact CG-CZ 3.82Å; F4-V6 HydrophobicContact CB-CG2 4.32Å; F4-V6 PolarHBondContact O-N 2.75Å
5	D	92.8	Very high	92.5	Very high	64 Å²	64	120.5 Å²	120.5	34%	0.342	61%	0.613	S	S	.	*			trans	-77.7	63.6	-176.2	-164.9	2.1	0	0	0	112.8	F3 Q7 K8 R9	F3-D5 HydrophobicContact CD1-CB 4.26Å; F3-D5 HydrophobicContact CE1-CB 3.84Å; D5-Q7 VanDerWaalsContact C-N 3.34Å; D5-K8 WeakPolarHBondContact OD1-CB 2.97Å; D5-K8 PolarHBondContact OD1-N 3.32Å; D5-K8 WeakPolarHBondContact OD2-CB 3.46Å; D5-K8 WeakPolarHBondContact OD2-CD 3.48Å; D5-R9 WeakPolarHBondContact O-CB 3.42Å; D5-R9 PolarHBondContact O-N 2.99Å
6	V	95.1	Very high	92.5	Very high	82 Å²	82	119 Å²	119	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-68.1	-36.1	179.3	178.8	0	0	0	0	111	F4 R9 L10	F4-V6 HydrophobicContact CB-CG2 4.32Å; F4-V6 PolarHBondContact O-N 2.75Å; V6-R9 PolarHBondContact O-N 3.12Å; V6-L10 HydrophobicContact CG1-CD1 3.58Å; V6-L10 HydrophobicContact CG1-CG 4.14Å; V6-L10 WeakPolarHBondContact O-CB 3.38Å; V6-L10 WeakPolarHBondContact O-CG 3.45Å; V6-L10 PolarHBondContact O-N 3.12Å
7	Q	94.7	Very high	92.5	Very high	34 Å²	34	120.1 Å²	120.1	16%	0.159	60%	0.598	C	S	.	*	H	α-helix	trans	-60.4	-50.5	179.8	-70	-167	56.4	0	0	111.5	D5 R9 L10 G11 L12 L14 D15	D5-Q7 VanDerWaalsContact C-N 3.34Å; Q7-R9 PolarHBondContact O-N 3.05Å; Q7-L10 PolarHBondContact O-N 3.37Å; Q7-G11 WeakPolarHBondContact O-CA 3.49Å; Q7-G11 PolarHBondContact O-N 3.37Å; Q7-L12 WeakPolarHBondContact CB-O 3.49Å; Q7-L12 PolarHBondContact O-N 2.94Å; Q7-L14 HydrophobicContact CG-CD1 4.05Å; Q7-L14 HydrophobicContact CG-CG 4.36Å; Q7-L14 VanDerWaalsContact OE1-N 3.08Å; Q7-D15 VanDerWaalsContact CD-OD1 3.26Å; Q7-D15 PolarHBondContact NE2-OD1 3.43Å; Q7-D15 PolarHBondContact NE2-OD2 3.07Å; Q7-D15 VanDerWaalsContact NE2-OD2 3.12Å; Q7-D15 PolarHBondContact OE1-OD1 2.98Å
8	K	94.1	Very high	92.6	Very high	158 Å²	158	120.8 Å²	120.8	69%	0.687	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-38.3	177.4	-169.9	176.6	-176.4	174	0	112.6	D5	D5-K8 WeakPolarHBondContact OD1-CB 2.97Å; D5-K8 PolarHBondContact OD1-N 3.32Å; D5-K8 WeakPolarHBondContact OD2-CB 3.46Å; D5-K8 WeakPolarHBondContact OD2-CD 3.48Å
9	R	95.2	Very high	92.7	Very high	224 Å²	224	119.9 Å²	119.9	85%	0.845	60%	0.603	S	S	*	*	H	α-helix	trans	-66.4	-36.7	-180	-173.4	176.5	178.4	-177.7	-0.2	112.8	D5 V6 Q7	D5-R9 WeakPolarHBondContact O-CB 3.42Å; D5-R9 PolarHBondContact O-N 2.99Å; V6-R9 PolarHBondContact O-N 3.12Å; Q7-R9 PolarHBondContact O-N 3.05Å
10	L	95.9	Very high	92.9	Very high	115 Å²	115	117.4 Å²	117.4	60%	0.602	59%	0.591	S	S	*	*	H	α-helix	trans	-97.1	-5.1	-179.1	-62.1	-179.2	0	0	0	113.7	V6 Q7 L12	V6-L10 HydrophobicContact CG1-CD1 3.58Å; V6-L10 HydrophobicContact CG1-CG 4.14Å; V6-L10 WeakPolarHBondContact O-CB 3.38Å; V6-L10 WeakPolarHBondContact O-CG 3.45Å; V6-L10 PolarHBondContact O-N 3.12Å; Q7-L10 PolarHBondContact O-N 3.37Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 HydrophobicContact CB-CD1 4.01Å; L10-L12 HydrophobicContact CB-CG 3.92Å; L10-L12 HydrophobicContact CD1-CD1 4.1Å; L10-L12 PolarHBondContact O-N 3.49Å
11	G	93.8	Very high	92.9	Very high	71 Å²	71	115.6 Å²	115.6	73%	0.732	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.2	27.5	-177.1	0	0	0	0	0	113.7	Q7	Q7-G11 WeakPolarHBondContact O-CA 3.49Å; Q7-G11 PolarHBondContact O-N 3.37Å
12	L	94.9	Very high	94	Very high	84 Å²	84	105.6 Å²	105.6	44%	0.44	53%	0.533	S	S	.	.			trans	-91.7	138.7	179	-60.5	174.1	0	0	0	110.1	Q7 L10 L14	Q7-L12 WeakPolarHBondContact CB-O 3.49Å; Q7-L12 PolarHBondContact O-N 2.94Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 HydrophobicContact CB-CD1 4.01Å; L10-L12 HydrophobicContact CB-CG 3.92Å; L10-L12 HydrophobicContact CD1-CD1 4.1Å; L10-L12 PolarHBondContact O-N 3.49Å; L12-L14 HydrophobicContact CB-CG 4.5Å
13	N	92.6	Very high	94.2	Very high	92 Å²	92	102.1 Å²	102.1	49%	0.492	51%	0.513	S	S	.	.			trans	-109.2	90.5	170.9	-175.9	-4	0	0	0	109.1	Q16 W17	N13-Q16 WeakPolarHBondContact OD1-CB 3.49Å; N13-Q16 PolarHBondContact OD1-N 2.99Å; N13-Q16 VanDerWaalsContact OD1-N 3.1Å; N13-W17 PolarHBondContact OD1-N 3.23Å
14	L	94.3	Very high	94.2	Very high	122 Å²	122	102.3 Å²	102.3	64%	0.639	52%	0.516	S	S	*	.	S	Bend	trans	-88.9	-44	177.9	-62.6	173	0	0	0	110.9	Q7 L12 W17	Q7-L14 HydrophobicContact CG-CD1 4.05Å; Q7-L14 HydrophobicContact CG-CG 4.36Å; Q7-L14 VanDerWaalsContact OE1-N 3.08Å; L12-L14 HydrophobicContact CB-CG 4.5Å; L14-W17 PolarHBondContact O-NE1 3.34Å; L14-W17 VanDerWaalsContact O-NE1 3.17Å
15	D	94.8	Very high	94.2	Very high	89 Å²	89	98.3 Å²	98.3	48%	0.476	50%	0.5	S	S	.	.	S	Bend	trans	-132.7	-8.9	-173	59.3	6	0	0	0	114.7	Q7 W17 M18 T19	Q7-D15 VanDerWaalsContact CD-OD1 3.26Å; Q7-D15 PolarHBondContact NE2-OD1 3.43Å; Q7-D15 PolarHBondContact NE2-OD2 3.07Å; Q7-D15 VanDerWaalsContact NE2-OD2 3.12Å; Q7-D15 PolarHBondContact OE1-OD1 2.98Å; D15-W17 PolarHBondContact O-N 3.06Å; D15-M18 PolarHBondContact O-N 2.91Å; D15-T19 PolarHBondContact O-OG1 3.48Å
16	Q	92.4	Very high	94.4	Very high	97 Å²	97	99.7 Å²	99.7	45%	0.453	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-65	-26.1	-175	-60.7	-179.6	-11.1	0	0	113.3	N13 M18 T19	N13-Q16 WeakPolarHBondContact OD1-CB 3.49Å; N13-Q16 PolarHBondContact OD1-N 2.99Å; N13-Q16 VanDerWaalsContact OD1-N 3.1Å; Q16-M18 VanDerWaalsContact C-N 3.26Å; Q16-M18 PolarHBondContact O-N 3.38Å; Q16-T19 VanDerWaalsContact C-OG1 3.26Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.45Å; Q16-T19 PolarHBondContact O-OG1 3.49Å
17	W	92.5	Very high	94.4	Very high	137 Å²	137	104.2 Å²	104.2	52%	0.519	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-68.8	-21.5	178.8	63.9	-87.6	0	0	0	113.9	N13 L14 D15 A23	N13-W17 PolarHBondContact OD1-N 3.23Å; L14-W17 PolarHBondContact O-NE1 3.34Å; L14-W17 VanDerWaalsContact O-NE1 3.17Å; D15-W17 PolarHBondContact O-N 3.06Å; W17-A23 WeakPolarHBondContact O-CB 3.27Å
18	M	93.9	Very high	94.4	Very high	134 Å²	134	111.5 Å²	111.5	66%	0.66	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-105.2	-1	-177.5	-159.9	-173.1	-68.5	0	0	113.1	D15 Q16	D15-M18 PolarHBondContact O-N 2.91Å; Q16-M18 VanDerWaalsContact C-N 3.26Å; Q16-M18 PolarHBondContact O-N 3.38Å
19	T	94.8	Very high	94.5	Very high	103 Å²	103	109 Å²	109	63%	0.632	55%	0.552	S	S	*	*	S	Bend	trans	-77.3	-29.8	-168.5	-6.8	0	0	0	0	114.1	D15 Q16	D15-T19 PolarHBondContact O-OG1 3.48Å; Q16-T19 VanDerWaalsContact C-OG1 3.26Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.45Å; Q16-T19 PolarHBondContact O-OG1 3.49Å
20	I	95.9	Very high	94.5	Very high	70 Å²	70	102.8 Å²	102.8	36%	0.359	54%	0.541	S	S	.	.			trans	-125.5	147.2	-177.4	60.4	171.1	0	0	0	110.4	S22 A23 I41	I20-S22 PolarHBondContact O-N 2.98Å; I20-A23 HydrophobicContact CD1-CB 4.41Å; I20-A23 HydrophobicContact CG1-CB 3.8Å; I20-A23 PolarHBondContact O-N 3.37Å; I20-I41 HydrophobicContact CB-CD1 4.16Å; I20-I41 HydrophobicContact CD1-CD1 4.07Å; I20-I41 HydrophobicContact CG2-CD1 3.84Å
21	Q	93.9	Very high	94.4	Very high	80 Å²	80	98.5 Å²	98.5	37%	0.374	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.4	177.9	-44.3	178.6	-2.3	0	0	111.6	A23 E37	Q21-A23 VanDerWaalsContact C-N 3.33Å; Q21-E37 VanDerWaalsContact CA-OE2 3.28Å; Q21-E37 WeakPolarHBondContact CA-OE2 3.23Å; Q21-E37 WeakPolarHBondContact CB-OE2 3.42Å; Q21-E37 PolarHBondContact N-OE1 3.34Å; Q21-E37 PolarHBondContact N-OE2 3.46Å
22	S	94.4	Very high	94.4	Very high	25 Å²	25	105.5 Å²	105.5	18%	0.175	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	1.9	-179.5	-58.1	0	0	0	0	114.9	I20 H34 E37	I20-S22 PolarHBondContact O-N 2.98Å; S22-H34 WeakPolarHBondContact CA-ND1 3.35Å; S22-H34 PolarHBondContact OG-ND1 3.4Å; S22-H34 PolarHBondContact OG-O 3.26Å; S22-E37 WeakPolarHBondContact CB-OE2 3.43Å; S22-E37 PolarHBondContact N-OE2 3.28Å; S22-E37 PolarHBondContact OG-OE2 3.49Å
23	A	94.4	Very high	94.6	Very high	25 Å²	25	101.8 Å²	101.8	21%	0.207	51%	0.51	C	S	.	.	S	Bend	trans	-67.4	166.7	171.5	0	0	0	0	0	111.4	W17 I20 Q21 Q25	W17-A23 WeakPolarHBondContact O-CB 3.27Å; I20-A23 HydrophobicContact CD1-CB 4.41Å; I20-A23 HydrophobicContact CG1-CB 3.8Å; I20-A23 PolarHBondContact O-N 3.37Å; Q21-A23 VanDerWaalsContact C-N 3.33Å; A23-Q25 PolarHBondContact O-N 2.9Å; A23-Q25 VanDerWaalsContact O-N 3.08Å
24	E	93.8	Very high	94.8	Very high	182 Å²	182	100.3 Å²	100.3	85%	0.85	50%	0.5	S	S	*	.			trans	-61	114.6	175.1	-172.9	172.3	-171.9	0	0	110.6
25	Q	94.9	Very high	94.9	Very high	76 Å²	76	97.2 Å²	97.2	36%	0.355	49%	0.492	S	S	.	.			trans	-98.4	148.6	175.9	-66.4	-60.5	-56.5	0	0	110.6	A23 H27 K28 I29	A23-Q25 PolarHBondContact O-N 2.9Å; A23-Q25 VanDerWaalsContact O-N 3.08Å; Q25-H27 PolarHBondContact O-N 2.99Å; Q25-K28 PolarHBondContact O-N 3.4Å; Q25-I29 WeakPolarHBondContact CB-O 3.48Å
26	P	95.9	Very high	95	Very high	94 Å²	94	96.7 Å²	96.7	61%	0.61	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-51	137.2	169.8	-24.8	34	0	0	0	111.1	K28 I29	P26-K28 PolarHBondContact O-N 3.42Å; P26-K28 VanDerWaalsContact O-N 3.12Å; P26-I29 WeakPolarHBondContact O-CG1 3.4Å; P26-I29 PolarHBondContact O-N 2.88Å
27	H	95.8	Very high	95.3	Very high	177 Å²	177	92.7 Å²	92.7	82%	0.819	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	58.6	18.7	-177	-51.2	-75.4	0	0	0	115.5	Q25 I29	Q25-H27 PolarHBondContact O-N 2.99Å; H27-I29 HydrophobicContact CB-CD1 4.19Å; H27-I29 HydrophobicContact CB-CG1 4.09Å; H27-I29 PolarHBondContact O-N 2.9Å
28	K	94.8	Very high	95.5	Very high	186 Å²	186	90.7 Å²	90.7	81%	0.809	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	56.6	33.6	179.5	-55.6	-179.5	177.5	-178.7	0	113.1	Q25 P26 P30	Q25-K28 PolarHBondContact O-N 3.4Å; P26-K28 PolarHBondContact O-N 3.42Å; P26-K28 VanDerWaalsContact O-N 3.12Å; K28-P30 VanDerWaalsContact O-CD 3.3Å; K28-P30 WeakPolarHBondContact O-CD 3.37Å
29	I	94.8	Very high	95.7	Very high	106 Å²	106	89.4 Å²	89.4	54%	0.544	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-73.1	118.8	-179.4	-61.9	167.4	0	0	0	108.9	Q25 P26 H27	Q25-I29 WeakPolarHBondContact CB-O 3.48Å; P26-I29 WeakPolarHBondContact O-CG1 3.4Å; P26-I29 PolarHBondContact O-N 2.88Å; H27-I29 HydrophobicContact CB-CD1 4.19Å; H27-I29 HydrophobicContact CB-CG1 4.09Å; H27-I29 PolarHBondContact O-N 2.9Å
30	P	95.3	Very high	95.8	Very high	93 Å²	93	88.1 Å²	88.1	60%	0.604	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-80.4	142.5	177.8	32.1	-33.2	0	0	0	111.3	K28 H34	K28-P30 VanDerWaalsContact O-CD 3.3Å; K28-P30 WeakPolarHBondContact O-CD 3.37Å; P30-H34 HydrophobicContact CB-CB 4.31Å
31	G	93.9	Very high	95.9	Very high	26 Å²	26	87.2 Å²	87.2	27%	0.268	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-65.7	155.8	165.5	0	0	0	0	0	111.8	C33 H34	G31-C33 PolarHBondContact O-N 3.16Å; G31-H34 VanDerWaalsContact O-CB 3.26Å; G31-H34 WeakPolarHBondContact O-CB 3.27Å; G31-H34 PolarHBondContact O-N 3.07Å; G31-H34 VanDerWaalsContact O-N 3.15Å
32	R	95.1	Very high	96	Very high	218 Å²	218	89.3 Å²	89.3	82%	0.823	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.2	-179.9	-69.1	-179.4	66.4	-163.6	0.1	113.4
33	C	97.4	Very high	96.2	Very high	5 Å²	5	90.1 Å²	90.1	3%	0.034	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	22.6	-178.8	-61.5	0	0	0	0	112.7	G31 A35 F36 E37 F63 C66 L67	G31-C33 PolarHBondContact O-N 3.16Å; C33-A35 VanDerWaalsContact C-N 3.33Å; C33-A35 PolarHBondContact O-N 2.97Å; C33-F36 PolarHBondContact O-N 3.45Å; C33-E37 PolarHBondContact O-N 3.36Å; C33-F63 HydrophobicContact CB-CD2 4.15Å; C33-F63 HydrophobicContact CB-CE2 3.99Å; C33-C66 WeakPolarHBondContact CA-SG 3.39Å; C33-C66 HydrophobicContact CB-CB 3.91Å; C33-C66 WeakPolarHBondContact CB-SG 3.45Å; C33-C66 WeakPolarHBondContact SG-CB 3.07Å; C33-C66 PolarHBondContact SG-O 2.85Å; C33-C66 VanDerWaalsContact SG-O 3.38Å; C33-C66 CovalentContact SG-SG 2.05Å; C33-C66 PolarHBondContact SG-SG 3.34Å; C33-L67 HydrophobicContact CB-CD2 4.26Å
34	H	96.9	Very high	96.3	Very high	61 Å²	61	90 Å²	90	28%	0.282	45%	0.448	S	S	.	.	H	α-helix	trans	-52.6	-46.6	-177.2	177.4	76.1	0	0	0	113.2	S22 P30 G31 K38	S22-H34 WeakPolarHBondContact CA-ND1 3.35Å; S22-H34 PolarHBondContact OG-ND1 3.4Å; S22-H34 PolarHBondContact OG-O 3.26Å; P30-H34 HydrophobicContact CB-CB 4.31Å; G31-H34 VanDerWaalsContact O-CB 3.26Å; G31-H34 WeakPolarHBondContact O-CB 3.27Å; G31-H34 PolarHBondContact O-N 3.07Å; G31-H34 VanDerWaalsContact O-N 3.15Å; H34-K38 VanDerWaalsContact O-CB 3.25Å; H34-K38 WeakPolarHBondContact O-CB 3.36Å; H34-K38 PolarHBondContact O-N 2.96Å
35	A	97.4	Very high	96.4	Very high	58 Å²	58	88.8 Å²	88.8	48%	0.479	44%	0.441	S	S	.	.	H	α-helix	trans	-62.2	-48.6	-178.6	0	0	0	0	0	112.2	C33 K38 E39	C33-A35 VanDerWaalsContact C-N 3.33Å; C33-A35 PolarHBondContact O-N 2.97Å; A35-K38 PolarHBondContact O-N 2.96Å; A35-E39 WeakPolarHBondContact O-CG 3.42Å; A35-E39 PolarHBondContact O-N 2.98Å
36	F	97.8	Very high	96.4	Very high	78 Å²	78	88.8 Å²	88.8	34%	0.342	46%	0.462	S	S	.	.	H	α-helix	trans	-67.2	-40.1	-178.9	-62.1	-72.6	0	0	0	112.6	C33 K38 W40 D62 F63 C66	C33-F36 PolarHBondContact O-N 3.45Å; F36-K38 VanDerWaalsContact C-N 3.35Å; F36-W40 WeakPolarHBondContact O-CB 2.86Å; F36-W40 PolarHBondContact O-N 3.13Å; F36-D62 HydrophobicContact CD1-CB 3.93Å; F36-D62 HydrophobicContact CE1-CB 4.2Å; F36-F63 HydrophobicContact CB-CB 4.1Å; F36-F63 HydrophobicContact CB-CD2 4.13Å; F36-C66 HydrophobicContact CD2-CB 3.65Å; F36-C66 VanDerWaalsContact CD2-SG 3.59Å; F36-C66 HydrophobicContact CE2-CB 4.06Å; F36-C66 HydrophobicContact CG-CB 4.26Å
37	E	97.4	Very high	96.3	Very high	12 Å²	12	86.3 Å²	86.3	6%	0.056	44%	0.443	C	S	.	.	H	α-helix	trans	-63.7	-43.6	176	-169	-170.3	-148.6	0	0	110.8	Q21 S22 C33 W40 I41 F63	Q21-E37 VanDerWaalsContact CA-OE2 3.28Å; Q21-E37 WeakPolarHBondContact CA-OE2 3.23Å; Q21-E37 WeakPolarHBondContact CB-OE2 3.42Å; Q21-E37 PolarHBondContact N-OE1 3.34Å; Q21-E37 PolarHBondContact N-OE2 3.46Å; S22-E37 WeakPolarHBondContact CB-OE2 3.43Å; S22-E37 PolarHBondContact N-OE2 3.28Å; S22-E37 PolarHBondContact OG-OE2 3.49Å; C33-E37 PolarHBondContact O-N 3.36Å; E37-W40 PolarHBondContact O-N 3.28Å; E37-I41 HydrophobicContact CG-CD1 3.91Å; E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.41Å; E37-I41 PolarHBondContact O-N 3.01Å; E37-F63 HydrophobicContact CB-CD2 3.9Å; E37-F63 HydrophobicContact CB-CE2 3.5Å; E37-F63 HydrophobicContact CB-CZ 3.9Å; E37-F63 HydrophobicContact CG-CE1 4.29Å; E37-F63 HydrophobicContact CG-CE2 3.89Å; E37-F63 HydrophobicContact CG-CZ 3.72Å
38	K	97.7	Very high	96.2	Very high	96 Å²	96	80 Å²	80	42%	0.417	43%	0.426	S	S	.	.	H	α-helix	trans	-61.7	-48.2	178.5	-177.6	178.6	173.5	-178.4	0	111.8	H34 A35 F36 W40 I41 E42	H34-K38 VanDerWaalsContact O-CB 3.25Å; H34-K38 WeakPolarHBondContact O-CB 3.36Å; H34-K38 PolarHBondContact O-N 2.96Å; A35-K38 PolarHBondContact O-N 2.96Å; F36-K38 VanDerWaalsContact C-N 3.35Å; K38-W40 VanDerWaalsContact C-N 3.33Å; K38-W40 PolarHBondContact O-N 3.3Å; K38-I41 PolarHBondContact O-N 2.97Å; K38-E42 WeakPolarHBondContact CE-OE1 3.33Å; K38-E42 HydrophobicContact CG-CG 4.41Å; K38-E42 IonicContact NZ-OE1 3.98Å; K38-E42 WeakPolarHBondContact O-CB 3.42Å; K38-E42 WeakPolarHBondContact O-CG 3.4Å; K38-E42 PolarHBondContact O-N 3.23Å
39	E	97.4	Very high	96.2	Very high	106 Å²	106	74.1 Å²	74.1	50%	0.495	42%	0.418	S	S	.	.	H	α-helix	trans	-60.4	-42.2	177.4	-74.2	178.1	177.2	0	0	111.9	A35 E42 C43	A35-E39 WeakPolarHBondContact O-CG 3.42Å; A35-E39 PolarHBondContact O-N 2.98Å; E39-E42 PolarHBondContact O-N 2.95Å; E39-C43 WeakPolarHBondContact O-CB 3.43Å; E39-C43 PolarHBondContact O-N 3.49Å
40	W	97.7	Very high	96.2	Very high	76 Å²	76	75.9 Å²	75.9	29%	0.288	43%	0.427	S	S	.	.	H	α-helix	trans	-63.6	-44.5	176.1	172.1	63	0	0	0	112.5	F36 E37 K38 C43 A44 E59 Y60 F63	F36-W40 WeakPolarHBondContact O-CB 2.86Å; F36-W40 PolarHBondContact O-N 3.13Å; E37-W40 PolarHBondContact O-N 3.28Å; K38-W40 VanDerWaalsContact C-N 3.33Å; K38-W40 PolarHBondContact O-N 3.3Å; W40-C43 PolarHBondContact O-N 3.5Å; W40-A44 VanDerWaalsContact O-CB 3.25Å; W40-A44 WeakPolarHBondContact O-CB 3.47Å; W40-A44 PolarHBondContact O-N 3.21Å; W40-E59 HydrophobicContact CB-CB 4.08Å; W40-Y60 HydrophobicContact CD2-CD2 4.16Å; W40-Y60 AromaticContact CE2-CD2 3.58Å; W40-Y60 HydrophobicContact CG-CD2 4.42Å; W40-Y60 AromaticContact CZ2-CD2 3.89Å; W40-Y60 HydrophobicContact CZ2-CD2 3.89Å; W40-Y60 HydrophobicContact CZ2-CE2 4.09Å; W40-Y60 AromaticContact NE1-CD2 3.5Å; W40-F63 HydrophobicContact CE3-CD1 4.23Å; W40-F63 HydrophobicContact CE3-CE1 4.34Å; W40-F63 HydrophobicContact CZ3-CE1 4.46Å
41	I	97.1	Very high	96.2	Very high	52 Å²	52	77.6 Å²	77.6	27%	0.267	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-45.2	177	-69.7	168.5	0	0	0	110.5	I20 E37 K38 C43 A44 H45	I20-I41 HydrophobicContact CB-CD1 4.16Å; I20-I41 HydrophobicContact CD1-CD1 4.07Å; I20-I41 HydrophobicContact CG2-CD1 3.84Å; E37-I41 HydrophobicContact CG-CD1 3.91Å; E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.41Å; E37-I41 PolarHBondContact O-N 3.01Å; K38-I41 PolarHBondContact O-N 2.97Å; I41-C43 VanDerWaalsContact C-N 3.33Å; I41-C43 PolarHBondContact O-N 2.95Å; I41-A44 PolarHBondContact O-N 3.39Å; I41-H45 VanDerWaalsContact O-CB 3.29Å; I41-H45 WeakPolarHBondContact O-CB 3.44Å; I41-H45 PolarHBondContact O-N 3.37Å
42	E	96.9	Very high	96.4	Very high	123 Å²	123	77 Å²	77	58%	0.575	41%	0.413	S	S	*	.	H	α-helix	trans	-63	-39.1	179.2	-74.2	177.3	173.5	0	0	111.8	K38 E39	K38-E42 WeakPolarHBondContact CE-OE1 3.33Å; K38-E42 HydrophobicContact CG-CG 4.41Å; K38-E42 IonicContact NZ-OE1 3.98Å; K38-E42 WeakPolarHBondContact O-CB 3.42Å; K38-E42 WeakPolarHBondContact O-CG 3.4Å; K38-E42 PolarHBondContact O-N 3.23Å; E39-E42 PolarHBondContact O-N 2.95Å
43	C	97.1	Very high	96.4	Very high	42 Å²	42	73.7 Å²	73.7	28%	0.284	41%	0.407	S	S	.	.	H	α-helix	trans	-66.8	-47.8	173.5	-175.5	0	0	0	0	112	E39 W40 I41 H45 C56 E59	E39-C43 WeakPolarHBondContact O-CB 3.43Å; E39-C43 PolarHBondContact O-N 3.49Å; W40-C43 PolarHBondContact O-N 3.5Å; I41-C43 VanDerWaalsContact C-N 3.33Å; I41-C43 PolarHBondContact O-N 2.95Å; C43-H45 VanDerWaalsContact C-N 3.25Å; C43-H45 PolarHBondContact O-N 2.87Å; C43-C56 HydrophobicContact CB-CB 3.85Å; C43-C56 WeakPolarHBondContact CB-SG 3.09Å; C43-C56 PolarHBondContact O-SG 2.78Å; C43-C56 VanDerWaalsContact SG-CA 3.55Å; C43-C56 WeakPolarHBondContact SG-CB 3.49Å; C43-C56 CovalentContact SG-SG 2.04Å; C43-C56 PolarHBondContact SG-SG 2.04Å; C43-E59 HydrophobicContact CB-CG 4.3Å
44	A	96.8	Very high	96.3	Very high	24 Å²	24	81.5 Å²	81.5	20%	0.198	44%	0.441	C	S	.	.	H	α-helix	trans	-78.2	-7.9	-173.6	0	0	0	0	0	113.9	W40 I41 G46 I47 A52 C56	W40-A44 VanDerWaalsContact O-CB 3.25Å; W40-A44 WeakPolarHBondContact O-CB 3.47Å; W40-A44 PolarHBondContact O-N 3.21Å; I41-A44 PolarHBondContact O-N 3.39Å; A44-G46 PolarHBondContact O-N 3.48Å; A44-I47 WeakPolarHBondContact O-CG1 3.36Å; A44-A52 HydrophobicContact CB-CB 3.89Å; A44-C56 PolarHBondContact N-SG 3.49Å
45	H	96.6	Very high	96.2	Very high	155 Å²	155	83.4 Å²	83.4	72%	0.718	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	120.7	-176.4	-176	-95.7	0	0	0	111.8	I41 C43 I47	I41-H45 VanDerWaalsContact O-CB 3.29Å; I41-H45 WeakPolarHBondContact O-CB 3.44Å; I41-H45 PolarHBondContact O-N 3.37Å; C43-H45 VanDerWaalsContact C-N 3.25Å; C43-H45 PolarHBondContact O-N 2.87Å; H45-I47 VanDerWaalsContact C-N 3.32Å; H45-I47 PolarHBondContact O-N 3.24Å
46	G	93.7	Very high	96.3	Very high	76 Å²	76	80.7 Å²	80.7	78%	0.784	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-10.6	171	0	0	0	0	0	116.6	A44	A44-G46 PolarHBondContact O-N 3.48Å
47	I	94.8	Very high	96.2	Very high	43 Å²	43	82.6 Å²	82.6	22%	0.221	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.2	179.2	60.3	173.7	0	0	0	114	A44 H45 R51 A52 E55	A44-I47 WeakPolarHBondContact O-CG1 3.36Å; H45-I47 VanDerWaalsContact C-N 3.32Å; H45-I47 PolarHBondContact O-N 3.24Å; I47-R51 HydrophobicContact CB-CB 4.4Å; I47-A52 HydrophobicContact CD1-CB 3.81Å; I47-A52 HydrophobicContact CG1-CB 3.99Å; I47-E55 HydrophobicContact CD1-CB 4.42Å
48	G	94.1	Very high	96.3	Very high	44 Å²	44	87.7 Å²	87.7	45%	0.454	46%	0.462	S	S	.	.			trans	80.1	152.7	-178.3	0	0	0	0	0	113.3	I50 R51 A52	G48-I50 VanDerWaalsContact C-N 3.31Å; G48-I50 PolarHBondContact O-N 3Å; G48-R51 PolarHBondContact O-N 2.9Å; G48-A52 WeakPolarHBondContact O-CB 3.49Å; G48-A52 PolarHBondContact O-N 2.77Å
49	G	93.6	Very high	96.3	Very high	62 Å²	62	85.8 Å²	85.8	64%	0.639	45%	0.454	S	S	*	.	H	α-helix	trans	-58.5	-36	-169.2	0	0	0	0	0	115.1	R51 E53	G49-R51 PolarHBondContact O-N 2.94Å; G49-E53 PolarHBondContact O-N 3.09Å; G49-E53 VanDerWaalsContact O-N 3.16Å
50	I	95.4	Very high	96.3	Very high	143 Å²	143	86 Å²	86	73%	0.733	45%	0.452	S	S	*	.	H	α-helix	trans	-66.3	-40.1	-177.6	-57.5	173.5	0	0	0	111.6	G48	G48-I50 VanDerWaalsContact C-N 3.31Å; G48-I50 PolarHBondContact O-N 3Å
51	R	95.8	Very high	96.3	Very high	129 Å²	129	85.8 Å²	85.8	49%	0.487	46%	0.456	S	S	.	.	H	α-helix	trans	-80.5	-39.6	178.7	-71.5	-178.7	60.8	-152.3	-8.5	111.2	I47 G48 G49 E53 K54 E55	I47-R51 HydrophobicContact CB-CB 4.4Å; G48-R51 PolarHBondContact O-N 2.9Å; G49-R51 PolarHBondContact O-N 2.94Å; R51-E53 PolarHBondContact O-N 3.32Å; R51-K54 PolarHBondContact O-N 3.44Å; R51-E55 IonicContact CZ-OE1 2.85Å; R51-E55 VanDerWaalsContact CZ-OE1 3.24Å; R51-E55 IonicContact CZ-OE2 2.85Å; R51-E55 IonicContact NE-OE1 3.85Å; R51-E55 PolarHBondContact NE-OE1 3.47Å; R51-E55 IonicContact NE-OE2 3.24Å; R51-E55 VanDerWaalsContact NH2-CD 3.27Å; R51-E55 IonicContact NH2-OE1 2.78Å; R51-E55 PolarHBondContact NH2-OE1 3.07Å; R51-E55 IonicContact NH2-OE2 3.84Å; R51-E55 PolarHBondContact NH2-OE2 3.39Å; R51-E55 WeakPolarHBondContact O-CB 3.38Å; R51-E55 PolarHBondContact O-N 3.46Å
52	A	96.7	Very high	96.3	Very high	13 Å²	13	86.7 Å²	86.7	11%	0.107	46%	0.461	C	S	.	.	H	α-helix	trans	-56.1	-36.4	177.8	0	0	0	0	0	113	A44 I47 G48 K54 C56	A44-A52 HydrophobicContact CB-CB 3.89Å; I47-A52 HydrophobicContact CD1-CB 3.81Å; I47-A52 HydrophobicContact CG1-CB 3.99Å; G48-A52 WeakPolarHBondContact O-CB 3.49Å; G48-A52 PolarHBondContact O-N 2.77Å; A52-K54 PolarHBondContact O-N 2.84Å; A52-C56 WeakPolarHBondContact O-CB 3.46Å; A52-C56 PolarHBondContact O-N 2.85Å
53	E	95.2	Very high	96.4	Very high	149 Å²	149	81.7 Å²	81.7	70%	0.696	44%	0.438	S	S	*	.	H	α-helix	trans	-60.1	-30.6	177.1	-169.3	-178	176.6	0	0	113.4	G49 R51	G49-E53 PolarHBondContact O-N 3.09Å; G49-E53 VanDerWaalsContact O-N 3.16Å; R51-E53 PolarHBondContact O-N 3.32Å
54	K	96.2	Very high	96.4	Very high	169 Å²	169	81.8 Å²	81.8	74%	0.735	44%	0.437	S	S	*	.	H	α-helix	trans	-99.9	-44	-177.8	-62.6	-176	-176.5	179.1	0	112.7	R51 A52	R51-K54 PolarHBondContact O-N 3.44Å; A52-K54 PolarHBondContact O-N 2.84Å
55	E	95.9	Very high	96.5	Very high	101 Å²	101	82.4 Å²	82.4	47%	0.472	44%	0.436	S	S	.	.	H	α-helix	trans	-77.4	-40.2	-174.3	-68.4	176	-151.9	0	0	111.7	I47 R51	I47-E55 HydrophobicContact CD1-CB 4.42Å; R51-E55 IonicContact CZ-OE1 2.85Å; R51-E55 VanDerWaalsContact CZ-OE1 3.24Å; R51-E55 IonicContact CZ-OE2 2.85Å; R51-E55 IonicContact NE-OE1 3.85Å; R51-E55 PolarHBondContact NE-OE1 3.47Å; R51-E55 IonicContact NE-OE2 3.24Å; R51-E55 VanDerWaalsContact NH2-CD 3.27Å; R51-E55 IonicContact NH2-OE1 2.78Å; R51-E55 PolarHBondContact NH2-OE1 3.07Å; R51-E55 IonicContact NH2-OE2 3.84Å; R51-E55 PolarHBondContact NH2-OE2 3.39Å; R51-E55 WeakPolarHBondContact O-CB 3.38Å; R51-E55 PolarHBondContact O-N 3.46Å
56	C	97.5	Very high	96.6	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.007	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	30.5	-177.9	-58.5	0	0	0	0	112.8	C43 A44 A52 I58 E59 Y60	C43-C56 HydrophobicContact CB-CB 3.85Å; C43-C56 WeakPolarHBondContact CB-SG 3.09Å; C43-C56 PolarHBondContact O-SG 2.78Å; C43-C56 VanDerWaalsContact SG-CA 3.55Å; C43-C56 WeakPolarHBondContact SG-CB 3.49Å; C43-C56 CovalentContact SG-SG 2.04Å; C43-C56 PolarHBondContact SG-SG 2.04Å; A44-C56 PolarHBondContact N-SG 3.49Å; A52-C56 WeakPolarHBondContact O-CB 3.46Å; A52-C56 PolarHBondContact O-N 2.85Å; C56-I58 VanDerWaalsContact C-N 3.33Å; C56-I58 PolarHBondContact O-N 3.05Å; C56-E59 WeakPolarHBondContact CA-OE2 3.2Å; C56-Y60 WeakPolarHBondContact O-CB 3.43Å; C56-Y60 PolarHBondContact O-N 2.85Å; C56-Y60 VanDerWaalsContact O-N 3.17Å
57	K	97.6	Very high	96.7	Very high	118 Å²	118	75.6 Å²	75.6	51%	0.513	39%	0.386	S	S	.	.	H	α-helix	trans	-67.4	-35.9	-174.1	-179.4	167.8	-179.2	162.7	0	112.2	D61	K57-D61 WeakPolarHBondContact O-CB 3.49Å; K57-D61 VanDerWaalsContact O-CG 3.24Å; K57-D61 PolarHBondContact O-N 3.27Å
58	I	97.9	Very high	96.9	Very high	120 Å²	120	77.8 Å²	77.8	62%	0.615	40%	0.398	S	S	*	.	H	α-helix	trans	-68.3	-48.9	-175.9	-62	174.8	0	0	0	109.4	C56 Y60 D61 D62	C56-I58 VanDerWaalsContact C-N 3.33Å; C56-I58 PolarHBondContact O-N 3.05Å; I58-Y60 VanDerWaalsContact C-N 3.29Å; I58-Y60 PolarHBondContact O-N 2.96Å; I58-D61 PolarHBondContact O-N 3.22Å; I58-D62 PolarHBondContact O-N 3.48Å
59	E	97.8	Very high	97	Very high	55 Å²	55	80.1 Å²	80.1	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-60.8	-41.1	178.8	-60.6	76.4	-172.5	0	0	110.7	W40 C43 C56 F63	W40-E59 HydrophobicContact CB-CB 4.08Å; C43-E59 HydrophobicContact CB-CG 4.3Å; C56-E59 WeakPolarHBondContact CA-OE2 3.2Å; E59-F63 WeakPolarHBondContact O-CB 3.02Å; E59-F63 PolarHBondContact O-N 3.23Å
60	Y	97.7	Very high	97.3	Very high	112 Å²	112	83.1 Å²	83.1	44%	0.439	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-45.5	175.4	-174.1	-107.7	0	0	0	112.6	W40 C56 I58 D62 F63 V64	W40-Y60 HydrophobicContact CD2-CD2 4.16Å; W40-Y60 AromaticContact CE2-CD2 3.58Å; W40-Y60 HydrophobicContact CG-CD2 4.42Å; W40-Y60 AromaticContact CZ2-CD2 3.89Å; W40-Y60 HydrophobicContact CZ2-CD2 3.89Å; W40-Y60 HydrophobicContact CZ2-CE2 4.09Å; W40-Y60 AromaticContact NE1-CD2 3.5Å; C56-Y60 WeakPolarHBondContact O-CB 3.43Å; C56-Y60 PolarHBondContact O-N 2.85Å; C56-Y60 VanDerWaalsContact O-N 3.17Å; I58-Y60 VanDerWaalsContact C-N 3.29Å; I58-Y60 PolarHBondContact O-N 2.96Å; Y60-D62 VanDerWaalsContact C-N 3.29Å; Y60-D62 PolarHBondContact O-N 3.17Å; Y60-F63 PolarHBondContact O-N 3.25Å; Y60-V64 HydrophobicContact CD1-CG2 4.16Å; Y60-V64 HydrophobicContact CD2-CG2 4.48Å; Y60-V64 HydrophobicContact CE1-CG2 3.76Å; Y60-V64 HydrophobicContact CE2-CG2 4.11Å; Y60-V64 VanDerWaalsContact O-CG2 3.32Å; Y60-V64 WeakPolarHBondContact O-CG2 3.4Å; Y60-V64 PolarHBondContact O-N 3.16Å
61	D	98.1	Very high	97.4	Very high	71 Å²	71	82.7 Å²	82.7	38%	0.38	38%	0.384	S	S	.	.	H	α-helix	trans	-62.7	-37	179.2	-78.2	-15.4	0	0	0	111.6	K57 I58 E65	K57-D61 WeakPolarHBondContact O-CB 3.49Å; K57-D61 VanDerWaalsContact O-CG 3.24Å; K57-D61 PolarHBondContact O-N 3.27Å; I58-D61 PolarHBondContact O-N 3.22Å; D61-E65 WeakPolarHBondContact O-CB 3.48Å; D61-E65 PolarHBondContact O-N 2.99Å
62	D	98.3	Very high	97.5	Very high	70 Å²	70	79 Å²	79	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-71.3	-39.8	175.6	-74.9	-18.5	0	0	0	111.9	F36 I58 Y60 E65 C66	F36-D62 HydrophobicContact CD1-CB 3.93Å; F36-D62 HydrophobicContact CE1-CB 4.2Å; I58-D62 PolarHBondContact O-N 3.48Å; Y60-D62 VanDerWaalsContact C-N 3.29Å; Y60-D62 PolarHBondContact O-N 3.17Å; D62-E65 PolarHBondContact O-N 2.9Å; D62-C66 WeakPolarHBondContact O-CB 3.47Å; D62-C66 PolarHBondContact O-N 3.36Å
63	F	97.8	Very high	97.5	Very high	19 Å²	19	83.7 Å²	83.7	8%	0.083	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-44.8	172.8	177.5	-129.4	0	0	0	111.9	C33 F36 E37 W40 E59 Y60 C66 L67	C33-F63 HydrophobicContact CB-CD2 4.15Å; C33-F63 HydrophobicContact CB-CE2 3.99Å; F36-F63 HydrophobicContact CB-CB 4.1Å; F36-F63 HydrophobicContact CB-CD2 4.13Å; E37-F63 HydrophobicContact CB-CD2 3.9Å; E37-F63 HydrophobicContact CB-CE2 3.5Å; E37-F63 HydrophobicContact CB-CZ 3.9Å; E37-F63 HydrophobicContact CG-CE1 4.29Å; E37-F63 HydrophobicContact CG-CE2 3.89Å; E37-F63 HydrophobicContact CG-CZ 3.72Å; W40-F63 HydrophobicContact CE3-CD1 4.23Å; W40-F63 HydrophobicContact CE3-CE1 4.34Å; W40-F63 HydrophobicContact CZ3-CE1 4.46Å; E59-F63 WeakPolarHBondContact O-CB 3.02Å; E59-F63 PolarHBondContact O-N 3.23Å; Y60-F63 PolarHBondContact O-N 3.25Å; F63-C66 WeakPolarHBondContact O-CB 3.49Å; F63-C66 PolarHBondContact O-N 3.21Å; F63-L67 HydrophobicContact CD1-CD1 4.41Å; F63-L67 HydrophobicContact CD2-CD1 4.41Å; F63-L67 HydrophobicContact CD2-CG 4.33Å; F63-L67 HydrophobicContact CE1-CD1 3.92Å; F63-L67 HydrophobicContact CE2-CD1 3.89Å; F63-L67 HydrophobicContact CE2-CD2 4.14Å; F63-L67 HydrophobicContact CE2-CG 3.94Å; F63-L67 HydrophobicContact CZ-CD1 3.64Å; F63-L67 HydrophobicContact CZ-CD2 4.44Å; F63-L67 HydrophobicContact CZ-CG 4.21Å; F63-L67 WeakPolarHBondContact O-CG 3.44Å; F63-L67 PolarHBondContact O-N 3.01Å; F63-L67 VanDerWaalsContact O-N 3.08Å
64	V	98	Very high	97.7	Very high	43 Å²	43	83.6 Å²	83.6	26%	0.261	39%	0.394	S	S	.	.	H	α-helix	trans	-64.6	-40.6	176.6	172.7	0	0	0	0	111.4	Y60 C66 L67 L68	Y60-V64 HydrophobicContact CD1-CG2 4.16Å; Y60-V64 HydrophobicContact CD2-CG2 4.48Å; Y60-V64 HydrophobicContact CE1-CG2 3.76Å; Y60-V64 HydrophobicContact CE2-CG2 4.11Å; Y60-V64 VanDerWaalsContact O-CG2 3.32Å; Y60-V64 WeakPolarHBondContact O-CG2 3.4Å; Y60-V64 PolarHBondContact O-N 3.16Å; V64-C66 VanDerWaalsContact C-N 3.34Å; V64-L67 PolarHBondContact O-N 3.38Å; V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 WeakPolarHBondContact O-CB 3.32Å; V64-L68 PolarHBondContact O-N 3.4Å
65	E	98.4	Very high	97.8	Very high	38 Å²	38	84 Å²	84	18%	0.178	39%	0.39	C	S	.	.	H	α-helix	trans	-63.1	-41.6	173.3	-159.7	-70.6	150.4	0	0	111	D61 D62 L67 L68 R69 K71 T72	D61-E65 WeakPolarHBondContact O-CB 3.48Å; D61-E65 PolarHBondContact O-N 2.99Å; D62-E65 PolarHBondContact O-N 2.9Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 2.68Å; E65-L68 PolarHBondContact O-N 3.08Å; E65-R69 WeakPolarHBondContact O-CA 3.5Å; E65-R69 PolarHBondContact O-N 3.41Å; E65-R69 WeakPolarHBondContact OE1-CA 3.45Å; E65-K71 HydrophobicContact CG-CB 3.96Å; E65-K71 HydrophobicContact CG-CD 3.96Å; E65-K71 HydrophobicContact CG-CG 4Å; E65-T72 PolarHBondContact OE1-N 3.43Å; E65-T72 VanDerWaalsContact OE1-N 3.09Å; E65-T72 PolarHBondContact OE1-OG1 3.44Å
66	C	97.8	Very high	97.9	Very high	5 Å²	5	84.3 Å²	84.3	3%	0.034	40%	0.395	C	S	.	.	H	α-helix	trans	-60	-42.5	178.9	-178.4	0	0	0	0	112.1	C33 F36 D62 F63 V64 R69	C33-C66 WeakPolarHBondContact CA-SG 3.39Å; C33-C66 HydrophobicContact CB-CB 3.91Å; C33-C66 WeakPolarHBondContact CB-SG 3.45Å; C33-C66 WeakPolarHBondContact SG-CB 3.07Å; C33-C66 PolarHBondContact SG-O 2.85Å; C33-C66 VanDerWaalsContact SG-O 3.38Å; C33-C66 CovalentContact SG-SG 2.05Å; C33-C66 PolarHBondContact SG-SG 3.34Å; F36-C66 HydrophobicContact CD2-CB 3.65Å; F36-C66 VanDerWaalsContact CD2-SG 3.59Å; F36-C66 HydrophobicContact CE2-CB 4.06Å; F36-C66 HydrophobicContact CG-CB 4.26Å; D62-C66 WeakPolarHBondContact O-CB 3.47Å; D62-C66 PolarHBondContact O-N 3.36Å; F63-C66 WeakPolarHBondContact O-CB 3.49Å; F63-C66 PolarHBondContact O-N 3.21Å; V64-C66 VanDerWaalsContact C-N 3.34Å; C66-R69 WeakPolarHBondContact O-CD 3.37Å; C66-R69 PolarHBondContact O-NE 3.43Å
67	L	97.3	Very high	97.9	Very high	82 Å²	82	87.8 Å²	87.8	43%	0.429	42%	0.42	S	S	.	.	H	α-helix	trans	-68.8	-48.5	179.3	-70.1	176	0	0	0	112.2	C33 F63 V64 E65	C33-L67 HydrophobicContact CB-CD2 4.26Å; F63-L67 HydrophobicContact CD1-CD1 4.41Å; F63-L67 HydrophobicContact CD2-CD1 4.41Å; F63-L67 HydrophobicContact CD2-CG 4.33Å; F63-L67 HydrophobicContact CE1-CD1 3.92Å; F63-L67 HydrophobicContact CE2-CD1 3.89Å; F63-L67 HydrophobicContact CE2-CD2 4.14Å; F63-L67 HydrophobicContact CE2-CG 3.94Å; F63-L67 HydrophobicContact CZ-CD1 3.64Å; F63-L67 HydrophobicContact CZ-CD2 4.44Å; F63-L67 HydrophobicContact CZ-CG 4.21Å; F63-L67 WeakPolarHBondContact O-CG 3.44Å; F63-L67 PolarHBondContact O-N 3.01Å; F63-L67 VanDerWaalsContact O-N 3.08Å; V64-L67 PolarHBondContact O-N 3.38Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 2.68Å
68	L	97.5	Very high	98	Very high	89 Å²	89	85.2 Å²	85.2	47%	0.466	41%	0.411	S	S	.	.	H	α-helix	trans	-95.5	-20.3	-170.2	-60.2	177.8	0	0	0	114	V64 E65 Q70 M73	V64-L68 HydrophobicContact CG1-CD1 3.86Å; V64-L68 WeakPolarHBondContact O-CB 3.32Å; V64-L68 PolarHBondContact O-N 3.4Å; E65-L68 PolarHBondContact O-N 3.08Å; L68-Q70 HydrophobicContact CB-CG 3.82Å; L68-Q70 PolarHBondContact O-N 3Å; L68-M73 WeakPolarHBondContact O-CE 3.14Å
69	R	97.6	Very high	98	Very high	93 Å²	93	84 Å²	84	35%	0.351	41%	0.405	S	S	.	.			trans	50.8	29	-178.2	-61.6	-64.5	-175.8	136.6	-1.9	114.6	E65 C66 K71 T72 M73	E65-R69 WeakPolarHBondContact O-CA 3.5Å; E65-R69 PolarHBondContact O-N 3.41Å; E65-R69 WeakPolarHBondContact OE1-CA 3.45Å; C66-R69 WeakPolarHBondContact O-CD 3.37Å; C66-R69 PolarHBondContact O-NE 3.43Å; R69-K71 PolarHBondContact O-N 2.92Å; R69-T72 WeakPolarHBondContact O-CB 3.44Å; R69-T72 PolarHBondContact O-N 2.89Å; R69-M73 WeakPolarHBondContact O-CB 3.16Å; R69-M73 WeakPolarHBondContact O-CG 3.41Å; R69-M73 PolarHBondContact O-N 2.99Å
70	Q	97.9	Very high	97.9	Very high	126 Å²	126	89 Å²	89	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-61.4	-47.5	-174.1	-67.7	-179.6	-5.3	0	0	112.3	L68 T72 M73 K74	L68-Q70 HydrophobicContact CB-CG 3.82Å; L68-Q70 PolarHBondContact O-N 3Å; Q70-T72 VanDerWaalsContact C-N 3.35Å; Q70-M73 PolarHBondContact O-N 3.34Å; Q70-K74 WeakPolarHBondContact O-CB 3.29Å; Q70-K74 PolarHBondContact O-N 3.3Å
71	K	97.7	Very high	97.9	Very high	134 Å²	134	91.8 Å²	91.8	58%	0.583	43%	0.431	S	S	*	.	H	α-helix	trans	-65.3	-43.2	179.3	-62.6	-178.5	-170.1	162.8	0	110	E65 R69 K74 R75	E65-K71 HydrophobicContact CG-CB 3.96Å; E65-K71 HydrophobicContact CG-CD 3.96Å; E65-K71 HydrophobicContact CG-CG 4Å; R69-K71 PolarHBondContact O-N 2.92Å; K71-K74 PolarHBondContact O-N 3.47Å; K71-R75 WeakPolarHBondContact O-CB 3.32Å; K71-R75 PolarHBondContact O-N 3.41Å
72	T	97.8	Very high	97.9	Very high	52 Å²	52	92.9 Å²	92.9	32%	0.319	43%	0.434	S	S	.	.	H	α-helix	trans	-57.5	-51.1	175.2	-58.3	0	0	0	0	112	E65 R69 Q70 K74 R75 L76	E65-T72 PolarHBondContact OE1-N 3.43Å; E65-T72 VanDerWaalsContact OE1-N 3.09Å; E65-T72 PolarHBondContact OE1-OG1 3.44Å; R69-T72 WeakPolarHBondContact O-CB 3.44Å; R69-T72 PolarHBondContact O-N 2.89Å; Q70-T72 VanDerWaalsContact C-N 3.35Å; T72-K74 PolarHBondContact O-N 3.29Å; T72-R75 PolarHBondContact O-N 3.29Å; T72-L76 HydrophobicContact CG2-CD1 4.17Å; T72-L76 WeakPolarHBondContact O-CG 3.49Å; T72-L76 PolarHBondContact O-N 3.38Å
73	M	98.1	Very high	97.8	Very high	111 Å²	111	94.5 Å²	94.5	55%	0.547	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-41.7	179.7	-74.7	-172.9	-71.5	0	0	112.4	L68 R69 Q70 R75 L76 S77	L68-M73 WeakPolarHBondContact O-CE 3.14Å; R69-M73 WeakPolarHBondContact O-CB 3.16Å; R69-M73 WeakPolarHBondContact O-CG 3.41Å; R69-M73 PolarHBondContact O-N 2.99Å; Q70-M73 PolarHBondContact O-N 3.34Å; M73-R75 PolarHBondContact O-N 3.33Å; M73-L76 PolarHBondContact O-N 3.04Å; M73-S77 WeakPolarHBondContact O-CB 3.25Å; M73-S77 PolarHBondContact O-N 3.31Å
74	K	98.4	Very high	97.7	Very high	146 Å²	146	96.8 Å²	96.8	64%	0.635	45%	0.448	S	S	*	.	H	α-helix	trans	-58.9	-48.5	175.4	-175	176.9	-178.9	179.1	0	111	Q70 K71 T72 L76 S77 D78	Q70-K74 WeakPolarHBondContact O-CB 3.29Å; Q70-K74 PolarHBondContact O-N 3.3Å; K71-K74 PolarHBondContact O-N 3.47Å; T72-K74 PolarHBondContact O-N 3.29Å; K74-L76 PolarHBondContact O-N 2.98Å; K74-S77 WeakPolarHBondContact O-CB 3.41Å; K74-S77 PolarHBondContact O-N 3.33Å; K74-D78 PolarHBondContact O-N 2.96Å
75	R	98.3	Very high	97.7	Very high	177 Å²	177	100.3 Å²	100.3	67%	0.668	46%	0.46	S	S	*	.	H	α-helix	trans	-59.6	-45.5	177.9	-176.4	179.9	177.7	88.8	-0.6	112	K71 T72 M73 S77 D78 I79	K71-R75 WeakPolarHBondContact O-CB 3.32Å; K71-R75 PolarHBondContact O-N 3.41Å; T72-R75 PolarHBondContact O-N 3.29Å; M73-R75 PolarHBondContact O-N 3.33Å; R75-S77 VanDerWaalsContact C-N 3.32Å; R75-S77 PolarHBondContact O-N 2.88Å; R75-D78 PolarHBondContact O-N 2.93Å; R75-I79 HydrophobicContact CG-CD1 3.9Å; R75-I79 VanDerWaalsContact O-CG1 3.27Å; R75-I79 WeakPolarHBondContact O-CG1 3.46Å; R75-I79 PolarHBondContact O-N 2.99Å
76	L	98.3	Very high	97.6	Very high	108 Å²	108	100.8 Å²	100.8	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-62.2	-40.6	177.8	-70.9	174	0	0	0	112	T72 M73 K74 I79 R80	T72-L76 HydrophobicContact CG2-CD1 4.17Å; T72-L76 WeakPolarHBondContact O-CG 3.49Å; T72-L76 PolarHBondContact O-N 3.38Å; M73-L76 PolarHBondContact O-N 3.04Å; K74-L76 PolarHBondContact O-N 2.98Å; L76-I79 PolarHBondContact O-N 3.28Å; L76-R80 WeakPolarHBondContact O-CB 3.28Å; L76-R80 PolarHBondContact O-N 3.28Å
77	S	98.4	Very high	97.5	Very high	75 Å²	75	103.9 Å²	103.9	52%	0.524	48%	0.479	S	S	.	.	H	α-helix	trans	-62.2	-46.6	176	-172.8	0	0	0	0	111.8	M73 K74 R75 I79 R80 R81	M73-S77 WeakPolarHBondContact O-CB 3.25Å; M73-S77 PolarHBondContact O-N 3.31Å; K74-S77 WeakPolarHBondContact O-CB 3.41Å; K74-S77 PolarHBondContact O-N 3.33Å; R75-S77 VanDerWaalsContact C-N 3.32Å; R75-S77 PolarHBondContact O-N 2.88Å; S77-I79 PolarHBondContact O-N 2.05Å; S77-R80 PolarHBondContact O-N 2.71Å; S77-R81 WeakPolarHBondContact O-CB 3.42Å; S77-R81 PolarHBondContact O-N 3.03Å
78	D	98.4	Very high	97.4	Very high	63 Å²	63	109.2 Å²	109.2	34%	0.337	50%	0.499	S	S	.	.	H	α-helix	trans	-63.1	-43.3	178.3	-74.6	-35.6	0	0	0	112.1	K74 R75 R81 Q82	K74-D78 PolarHBondContact O-N 2.96Å; R75-D78 PolarHBondContact O-N 2.93Å; D78-R81 PolarHBondContact O-N 2.83Å; D78-R81 IonicContact OD1-CZ 3.85Å; D78-R81 IonicContact OD1-NH2 2.9Å; D78-R81 PolarHBondContact OD1-NH2 3.26Å; D78-Q82 WeakPolarHBondContact O-CB 2.84Å; D78-Q82 PolarHBondContact O-N 3.15Å
79	I	97.6	Very high	97.4	Very high	94 Å²	94	109.1 Å²	109.1	48%	0.482	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-47.7	175.4	-70.3	167.1	0	0	0	110.4	R75 L76 S77 Q82 R83	R75-I79 HydrophobicContact CG-CD1 3.9Å; R75-I79 VanDerWaalsContact O-CG1 3.27Å; R75-I79 WeakPolarHBondContact O-CG1 3.46Å; R75-I79 PolarHBondContact O-N 2.99Å; L76-I79 PolarHBondContact O-N 3.28Å; S77-I79 PolarHBondContact O-N 2.05Å; I79-Q82 PolarHBondContact O-N 3.19Å; I79-R83 WeakPolarHBondContact O-CB 3.03Å; I79-R83 PolarHBondContact O-N 3.2Å
80	R	97.1	Very high	97.3	Very high	161 Å²	161	107.8 Å²	107.8	61%	0.608	51%	0.511	S	S	*	.	H	α-helix	trans	-62.5	-45.6	179.8	-175.8	175.1	-179.8	167	1.5	111.5	L76 S77 Q82 R83 D84	L76-R80 WeakPolarHBondContact O-CB 3.28Å; L76-R80 PolarHBondContact O-N 3.28Å; S77-R80 PolarHBondContact O-N 2.71Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.99Å; R80-R83 WeakPolarHBondContact O-CB 3.39Å; R80-R83 PolarHBondContact O-N 3.49Å; R80-D84 IonicContact NE-OD2 3.68Å; R80-D84 WeakPolarHBondContact O-CB 3.45Å; R80-D84 PolarHBondContact O-N 3.08Å
81	R	97.7	Very high	97.2	Very high	170 Å²	170	109.2 Å²	109.2	64%	0.642	52%	0.515	S	S	*	.	H	α-helix	trans	-58.6	-44.3	177.2	-175	177.8	67.1	-170.2	-10.4	111.7	S77 D78 K85	S77-R81 WeakPolarHBondContact O-CB 3.42Å; S77-R81 PolarHBondContact O-N 3.03Å; D78-R81 PolarHBondContact O-N 2.83Å; D78-R81 IonicContact OD1-CZ 3.85Å; D78-R81 IonicContact OD1-NH2 2.9Å; D78-R81 PolarHBondContact OD1-NH2 3.26Å; R81-K85 WeakPolarHBondContact O-CB 3.28Å; R81-K85 PolarHBondContact O-N 3.34Å; R81-K85 VanDerWaalsContact O-N 3.07Å
82	Q	97.5	Very high	97	Very high	95 Å²	95	106.8 Å²	106.8	44%	0.444	50%	0.503	S	S	.	.	H	α-helix	trans	-67.1	-42.7	178.3	-178	60.2	17	0	0	111.9	D78 I79 R80 K85 L86	D78-Q82 WeakPolarHBondContact O-CB 2.84Å; D78-Q82 PolarHBondContact O-N 3.15Å; I79-Q82 PolarHBondContact O-N 3.19Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.99Å; Q82-K85 WeakPolarHBondContact O-CB 3.25Å; Q82-K85 PolarHBondContact O-N 3.25Å; Q82-L86 HydrophobicContact CG-CD1 4.39Å; Q82-L86 WeakPolarHBondContact O-CG 3.15Å; Q82-L86 PolarHBondContact O-N 2.88Å
83	R	96.1	Very high	96.7	Very high	104 Å²	104	110 Å²	110	39%	0.392	52%	0.522	S	S	.	.	H	α-helix	trans	-57.7	-50.1	175.1	-176	-163.5	69.1	179.4	3	111.1	I79 R80 K85 L86 I87 Y92	I79-R83 WeakPolarHBondContact O-CB 3.03Å; I79-R83 PolarHBondContact O-N 3.2Å; R80-R83 WeakPolarHBondContact O-CB 3.39Å; R80-R83 PolarHBondContact O-N 3.49Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.42Å; R83-L86 PolarHBondContact O-N 3.29Å; R83-L86 VanDerWaalsContact O-N 3.12Å; R83-I87 HydrophobicContact CG-CD1 3.98Å; R83-I87 WeakPolarHBondContact O-CG1 3.26Å; R83-I87 PolarHBondContact O-N 3.39Å; R83-Y92 HydrophobicContact CG-CD1 3.98Å; R83-Y92 HydrophobicContact CG-CE1 3.69Å
84	D	96.4	Very high	96.5	Very high	67 Å²	67	107 Å²	107	36%	0.358	51%	0.511	S	S	.	.	H	α-helix	trans	-65	-34.8	-176.6	-62.5	-12.9	0	0	0	111.1	R80 K88	R80-D84 IonicContact NE-OD2 3.68Å; R80-D84 WeakPolarHBondContact O-CB 3.45Å; R80-D84 PolarHBondContact O-N 3.08Å; D84-K88 WeakPolarHBondContact O-CB 3.3Å; D84-K88 PolarHBondContact O-N 3.18Å
85	K	97.6	Very high	96.1	Very high	116 Å²	116	101.6 Å²	101.6	50%	0.504	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-48.9	170.1	-179	-178.6	173.6	-178.8	0	112.1	R81 Q82 R83 I87 K88 E89	R81-K85 WeakPolarHBondContact O-CB 3.28Å; R81-K85 PolarHBondContact O-N 3.34Å; R81-K85 VanDerWaalsContact O-N 3.07Å; Q82-K85 WeakPolarHBondContact O-CB 3.25Å; Q82-K85 PolarHBondContact O-N 3.25Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.42Å; K85-I87 PolarHBondContact O-N 3.12Å; K85-K88 WeakPolarHBondContact O-CB 3.5Å; K85-K88 PolarHBondContact O-N 3.37Å; K85-E89 WeakPolarHBondContact CE-OE1 3.21Å; K85-E89 WeakPolarHBondContact O-CG 3.38Å; K85-E89 PolarHBondContact O-N 3.1Å
86	L	96.9	Very high	95.7	Very high	48 Å²	48	97 Å²	97	25%	0.251	48%	0.484	S	S	.	.	H	α-helix	trans	-68.6	-32.5	-178.3	-67.9	174.5	0	0	0	113.2	Q82 R83 E89 G90 K91 Y92	Q82-L86 HydrophobicContact CG-CD1 4.39Å; Q82-L86 WeakPolarHBondContact O-CG 3.15Å; Q82-L86 PolarHBondContact O-N 2.88Å; R83-L86 PolarHBondContact O-N 3.29Å; R83-L86 VanDerWaalsContact O-N 3.12Å; L86-E89 PolarHBondContact O-N 3Å; L86-G90 PolarHBondContact O-N 3.21Å; L86-G90 VanDerWaalsContact O-N 3.12Å; L86-K91 HydrophobicContact CD2-CB 4.33Å; L86-K91 HydrophobicContact CD2-CD 4.44Å; L86-K91 PolarHBondContact O-N 2.83Å; L86-Y92 PolarHBondContact O-N 2.89Å
87	I	95.4	Very high	95.3	Very high	71 Å²	71	96.4 Å²	96.4	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-64.7	-44.7	171.8	-67.4	172.7	0	0	0	109.7	R83 K85 E89 G90 Y92	R83-I87 HydrophobicContact CG-CD1 3.98Å; R83-I87 WeakPolarHBondContact O-CG1 3.26Å; R83-I87 PolarHBondContact O-N 3.39Å; K85-I87 PolarHBondContact O-N 3.12Å; I87-E89 VanDerWaalsContact C-N 3.28Å; I87-E89 PolarHBondContact O-N 3.19Å; I87-G90 PolarHBondContact O-N 3.17Å; I87-Y92 HydrophobicContact CD1-CD1 4.31Å; I87-Y92 HydrophobicContact CG1-CD1 3.82Å
88	K	95.6	Very high	94.8	Very high	194 Å²	194	99.1 Å²	99.1	84%	0.843	48%	0.482	S	S	*	.	H	α-helix	trans	-62.9	-34.3	177.2	-170.9	178	-179.5	-179.8	0	112.7	D84 K85 G90	D84-K88 WeakPolarHBondContact O-CB 3.3Å; D84-K88 PolarHBondContact O-N 3.18Å; K85-K88 WeakPolarHBondContact O-CB 3.5Å; K85-K88 PolarHBondContact O-N 3.37Å; K88-G90 VanDerWaalsContact C-N 3.27Å
89	E	97	Very high	94.4	Very high	87 Å²	87	100.8 Å²	100.8	41%	0.407	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.4	173.6	-69.3	178.2	-159.9	0	0	113.5	K85 L86 I87 K91	K85-E89 WeakPolarHBondContact CE-OE1 3.21Å; K85-E89 WeakPolarHBondContact O-CG 3.38Å; K85-E89 PolarHBondContact O-N 3.1Å; L86-E89 PolarHBondContact O-N 3Å; I87-E89 VanDerWaalsContact C-N 3.28Å; I87-E89 PolarHBondContact O-N 3.19Å; E89-K91 HydrophobicContact CB-CD 4.29Å; E89-K91 HydrophobicContact CB-CG 4.21Å; E89-K91 PolarHBondContact O-N 3.12Å; E89-K91 WeakPolarHBondContact OE2-CD 3.46Å; E89-K91 WeakPolarHBondContact OE2-CE 3.13Å; E89-K91 IonicContact OE2-NZ 2.75Å; E89-K91 PolarHBondContact OE2-NZ 2.78Å
90	G	94.6	Very high	93.8	Very high	64 Å²	64	99.7 Å²	99.7	66%	0.66	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	7.5	-176.8	0	0	0	0	0	115	L86 I87 K88	L86-G90 PolarHBondContact O-N 3.21Å; L86-G90 VanDerWaalsContact O-N 3.12Å; I87-G90 PolarHBondContact O-N 3.17Å; K88-G90 VanDerWaalsContact C-N 3.27Å
91	K	95.5	Very high	93.2	Very high	156 Å²	156	100.1 Å²	100.1	68%	0.678	51%	0.509	S	S	*	.	S	Bend	trans	-85.3	-12.2	-177	-66.8	178	-174.5	158.5	0	113.8	L86 E89	L86-K91 HydrophobicContact CD2-CB 4.33Å; L86-K91 HydrophobicContact CD2-CD 4.44Å; L86-K91 PolarHBondContact O-N 2.83Å; E89-K91 HydrophobicContact CB-CD 4.29Å; E89-K91 HydrophobicContact CB-CG 4.21Å; E89-K91 PolarHBondContact O-N 3.12Å; E89-K91 WeakPolarHBondContact OE2-CD 3.46Å; E89-K91 WeakPolarHBondContact OE2-CE 3.13Å; E89-K91 IonicContact OE2-NZ 2.75Å; E89-K91 PolarHBondContact OE2-NZ 2.78Å
92	Y	93.8	Very high	92.6	Very high	84 Å²	84	97.2 Å²	97.2	33%	0.329	50%	0.503	S	S	.	.			trans	-137.2	129.4	-178	178.6	-101	0	0	0	111.4	R83 L86 I87 P94	R83-Y92 HydrophobicContact CG-CD1 3.98Å; R83-Y92 HydrophobicContact CG-CE1 3.69Å; L86-Y92 PolarHBondContact O-N 2.89Å; I87-Y92 HydrophobicContact CD1-CD1 4.31Å; I87-Y92 HydrophobicContact CG1-CD1 3.82Å; Y92-P94 HydrophobicContact CE1-CB 4.47Å
93	T	92.3	Very high	91.9	Very high	119 Å²	119	99.7 Å²	99.7	73%	0.73	52%	0.519	S	S	*	.			trans	-114.9	127.1	172.7	49.8	0	0	0	0	109.6
94	P	93.2	Very high	91.2	Very high	47 Å²	47	100.5 Å²	100.5	31%	0.305	54%	0.538	S	S	.	.			trans	-64.2	144.1	179.8	26	-33.1	0	0	0	111.4	Y92 L99	Y92-P94 HydrophobicContact CE1-CB 4.47Å; P94-L99 HydrophobicContact CB-CD2 4.48Å; P94-L99 HydrophobicContact CG-CD2 4.04Å; P94-L99 HydrophobicContact CG-CG 4.48Å
95	P	91.4	Very high	90.7	Very high	33 Å²	33	107.5 Å²	107.5	21%	0.214	56%	0.559	C	S	.	*			trans	-72	158.5	179.9	31.3	-37.2	0	0	0	112.2	H97 H98	P95-H97 VanDerWaalsContact C-N 3.26Å; P95-H97 VanDerWaalsContact CB-CE1 3.41Å; P95-H97 WeakPolarHBondContact CB-CE1 3.44Å; P95-H97 WeakPolarHBondContact CG-CE1 3.47Å; P95-H97 VanDerWaalsContact CG-NE2 3.27Å; P95-H97 WeakPolarHBondContact CG-NE2 3.5Å; P95-H97 PolarHBondContact O-N 3.25Å; P95-H97 VanDerWaalsContact O-N 3.16Å; P95-H98 WeakPolarHBondContact CD-ND1 3.43Å; P95-H98 HydrophobicContact CG-CB 4.22Å; P95-H98 WeakPolarHBondContact CG-ND1 3.19Å; P95-H98 PolarHBondContact O-N 3.48Å
96	P	88.8	Confident	90	Very high	82 Å²	82	111.3 Å²	111.3	53%	0.532	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-56.4	-33	-175.7	-27	35	0	0	0	115.3	H98 L99 G100 K101	P96-H98 VanDerWaalsContact C-N 3.34Å; P96-H98 PolarHBondContact O-N 2.96Å; P96-L99 CarbonylContact O-C 3.52Å; P96-L99 WeakPolarHBondContact O-CA 3.07Å; P96-L99 WeakPolarHBondContact O-CB 3.33Å; P96-L99 PolarHBondContact O-N 3.48Å; P96-G100 PolarHBondContact O-N 3.35Å; P96-K101 HydrophobicContact CB-CB 4.31Å; P96-K101 PolarHBondContact O-N 2.96Å; P96-K101 VanDerWaalsContact O-N 3.13Å
97	H	89.2	Confident	89.7	Confident	95 Å²	95	114.5 Å²	114.5	44%	0.44	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-69.2	-31	179.1	57.2	-104.9	0	0	0	113.4	P95 L99 G100 E102	P95-H97 VanDerWaalsContact C-N 3.26Å; P95-H97 VanDerWaalsContact CB-CE1 3.41Å; P95-H97 WeakPolarHBondContact CB-CE1 3.44Å; P95-H97 WeakPolarHBondContact CG-CE1 3.47Å; P95-H97 VanDerWaalsContact CG-NE2 3.27Å; P95-H97 WeakPolarHBondContact CG-NE2 3.5Å; P95-H97 PolarHBondContact O-N 3.25Å; P95-H97 VanDerWaalsContact O-N 3.16Å; H97-L99 PolarHBondContact O-N 3.49Å; H97-G100 PolarHBondContact O-N 2.98Å; H97-E102 HydrophobicContact CB-CB 4.03Å; H97-E102 WeakPolarHBondContact CB-OE2 3.48Å; H97-E102 IonicContact CG-OE2 3.59Å
98	H	89.2	Confident	89.4	Confident	131 Å²	131	116.8 Å²	116.8	61%	0.606	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-76.6	-6.9	170.6	-66.7	154.8	0	0	0	113	P95 P96	P95-H98 WeakPolarHBondContact CD-ND1 3.43Å; P95-H98 HydrophobicContact CG-CB 4.22Å; P95-H98 WeakPolarHBondContact CG-ND1 3.19Å; P95-H98 PolarHBondContact O-N 3.48Å; P96-H98 VanDerWaalsContact C-N 3.34Å; P96-H98 PolarHBondContact O-N 2.96Å
99	L	88.5	Confident	89	Confident	99 Å²	99	112.5 Å²	112.5	52%	0.518	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-105.5	2.4	177.1	-60.2	174.8	0	0	0	112.8	P94 P96 H97 K101	P94-L99 HydrophobicContact CB-CD2 4.48Å; P94-L99 HydrophobicContact CG-CD2 4.04Å; P94-L99 HydrophobicContact CG-CG 4.48Å; P96-L99 CarbonylContact O-C 3.52Å; P96-L99 WeakPolarHBondContact O-CA 3.07Å; P96-L99 WeakPolarHBondContact O-CB 3.33Å; P96-L99 PolarHBondContact O-N 3.48Å; H97-L99 PolarHBondContact O-N 3.49Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 HydrophobicContact CB-CG 4.45Å
100	G	86	Confident	88.6	Confident	70 Å²	70	114 Å²	114	72%	0.722	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.8	23.8	179.9	0	0	0	0	0	114.4	P96 H97	P96-G100 PolarHBondContact O-N 3.35Å; H97-G100 PolarHBondContact O-N 2.98Å
101	K	85.1	Confident	88.2	Confident	170 Å²	170	117.1 Å²	117.1	74%	0.739	62%	0.624	S	S	*	*			trans	-99.4	4.8	177.7	-62	-175.1	178.7	-177.1	0	113.7	P96 L99	P96-K101 HydrophobicContact CB-CB 4.31Å; P96-K101 PolarHBondContact O-N 2.96Å; P96-K101 VanDerWaalsContact O-N 3.13Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 HydrophobicContact CB-CG 4.45Å
102	E	84.8	Confident	87.7	Confident	110 Å²	110	114.5 Å²	114.5	51%	0.514	62%	0.62	S	S	.	*	S	Bend	trans	-96.9	145.5	174.5	-173.7	-176.2	177.5	0	0	109.3	H97	H97-E102 HydrophobicContact CB-CB 4.03Å; H97-E102 WeakPolarHBondContact CB-OE2 3.48Å; H97-E102 IonicContact CG-OE2 3.59Å
103	D	81.9	Confident	87.3	Confident	147 Å²	147	116.7 Å²	116.7	79%	0.786	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-61.7	127.2	170.5	-70.3	-39.2	0	0	0	110	R105	D103-R105 PolarHBondContact O-N 3.17Å
104	P	82.9	Confident	86.9	Confident	121 Å²	121	116.5 Å²	116.5	79%	0.786	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-62.4	135.4	-178.7	23	-30.7	0	0	0	110.5
105	R	85.9	Confident	86.4	Confident	214 Å²	214	122.3 Å²	122.3	81%	0.808	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-71.7	135.8	170.3	-138.5	175.4	-72.3	178.2	-2.1	108.5	D103	D103-R105 PolarHBondContact O-N 3.17Å
106	P	82.8	Confident	85.9	Confident	196 Å²	196	130.5 Å²	130.5	100%	1.273	70%	0.702	S	S	*	*			trans	-62.1	0	-179.2	25.3	-35.3	0	0	0	113.3

Retrieved 106 of 106 residues in 49.1 ms (Link to these results)

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