A0A674E3T3_SALTR Loading...

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 , UniProt , Accession A0A674E3T3, Species SALTR (Salmo trutta, Brown trout), Gene NDUFS5, Length 107 aa.

						>A0A674E3T3_SALTR|A0A674E3T3|NDUFS5
MPFIDLQGKLGINMDKWMLIQGGEQPYKRAPRCHAFEKEWIECADGIGQTRAKKECKLEFEDFYECMHREKTHKRLYEIRKQRDKMVKEGTYQTPAHHTGAQADNRP
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	67.3	Low	90	Very high	235 Å²	235	114.3 Å²	114.3	100%	1.158	63%	0.626	S	S	*	*				0	134.7	0	-65.7	-170	-77.6	0	0	108
2	P	90.8	Very high	90.3	Very high	115 Å²	115	112.2 Å²	112.2	75%	0.747	61%	0.611	S	S	*	*			trans	-70.7	142.4	179.4	29.5	-33.8	0	0	0	111.2
3	F	90.8	Very high	90.4	Very high	183 Å²	183	110.7 Å²	110.7	80%	0.803	60%	0.603	S	S	*	*			trans	-85	116.2	172.1	-178.8	-105.6	0	0	0	109.4	D5	F3-D5 HydrophobicContact CD1-CB 4.37Å; F3-D5 HydrophobicContact CE1-CB 3.81Å
4	I	92.8	Very high	90.5	Very high	122 Å²	122	112 Å²	112	63%	0.626	61%	0.605	S	S	*	*			trans	-103.5	104.2	178.2	-53.4	175.5	0	0	0	108.3	L6	I4-L6 VanDerWaalsContact C-N 3.3Å; I4-L6 HydrophobicContact CG2-CD2 4.14Å; I4-L6 HydrophobicContact CG2-CG 3.98Å; I4-L6 PolarHBondContact O-N 3.4Å
5	D	91.4	Very high	90.6	Very high	64 Å²	64	109.3 Å²	109.3	34%	0.342	59%	0.59	S	S	.	*			trans	-78.7	74.3	-179.3	-171.3	18.4	0	0	0	112.3	F3 G8 K9	F3-D5 HydrophobicContact CD1-CB 4.37Å; F3-D5 HydrophobicContact CE1-CB 3.81Å; D5-G8 WeakPolarHBondContact OD1-CA 3.46Å; D5-G8 PolarHBondContact OD1-N 2.99Å; D5-K9 VanDerWaalsContact O-CG 3.3Å; D5-K9 WeakPolarHBondContact O-CG 2.82Å; D5-K9 PolarHBondContact O-N 3.14Å
6	L	92.3	Very high	90.6	Very high	108 Å²	108	107.8 Å²	107.8	57%	0.565	58%	0.576	S	S	*	*	H	α-helix	trans	-71	-34	172.1	-67.5	176.3	0	0	0	111.7	I4 K9 L10	I4-L6 VanDerWaalsContact C-N 3.3Å; I4-L6 HydrophobicContact CG2-CD2 4.14Å; I4-L6 HydrophobicContact CG2-CG 3.98Å; I4-L6 PolarHBondContact O-N 3.4Å; L6-K9 PolarHBondContact O-N 3.18Å; L6-L10 VanDerWaalsContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 WeakPolarHBondContact O-CG 3.23Å; L6-L10 PolarHBondContact O-N 3.06Å
7	Q	93.1	Very high	90.6	Very high	27 Å²	27	110.2 Å²	110.2	13%	0.126	58%	0.576	C	S	.	*	H	α-helix	trans	-66.5	-45.8	-177.9	-69	-168.5	55.7	0	0	111.9	G11 I12 M14 D15	Q7-G11 WeakPolarHBondContact O-CA 3.44Å; Q7-G11 PolarHBondContact O-N 3.31Å; Q7-I12 WeakPolarHBondContact CB-O 3.46Å; Q7-I12 PolarHBondContact O-N 3.27Å; Q7-M14 HydrophobicContact CG-CE 4.05Å; Q7-M14 VanDerWaalsContact OE1-N 3.12Å; Q7-D15 PolarHBondContact NE2-OD1 3.47Å; Q7-D15 PolarHBondContact NE2-OD2 3.03Å; Q7-D15 VanDerWaalsContact NE2-OD2 3.1Å; Q7-D15 PolarHBondContact OE1-OD1 3.44Å
8	G	91.1	Very high	90.5	Very high	39 Å²	39	110.7 Å²	110.7	40%	0.402	58%	0.576	S	S	.	*	H	α-helix	trans	-65.1	-39.9	174.7	0	0	0	0	0	113	D5	D5-G8 WeakPolarHBondContact OD1-CA 3.46Å; D5-G8 PolarHBondContact OD1-N 2.99Å
9	K	93.4	Very high	90.6	Very high	173 Å²	173	111.6 Å²	111.6	75%	0.752	58%	0.581	S	S	*	*	H	α-helix	trans	-70.7	-37.7	-179.9	-73.4	-178.8	179.7	-173.5	0	114	D5 L6	D5-K9 VanDerWaalsContact O-CG 3.3Å; D5-K9 WeakPolarHBondContact O-CG 2.82Å; D5-K9 PolarHBondContact O-N 3.14Å; L6-K9 PolarHBondContact O-N 3.18Å
10	L	94.6	Very high	90.7	Very high	120 Å²	120	109.6 Å²	109.6	63%	0.628	57%	0.57	S	S	*	*	H	α-helix	trans	-93.8	-7.8	-178.2	-62.3	173.8	0	0	0	113.1	L6 I12	L6-L10 VanDerWaalsContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 WeakPolarHBondContact O-CG 3.23Å; L6-L10 PolarHBondContact O-N 3.06Å; L10-I12 HydrophobicContact CB-CD1 3.82Å; L10-I12 HydrophobicContact CB-CG1 3.92Å; L10-I12 HydrophobicContact CD1-CD1 4.08Å; L10-I12 PolarHBondContact O-N 3.41Å
11	G	92.5	Very high	90.7	Very high	71 Å²	71	107.7 Å²	107.7	73%	0.732	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.8	18.9	-177.3	0	0	0	0	0	114.2	Q7	Q7-G11 WeakPolarHBondContact O-CA 3.44Å; Q7-G11 PolarHBondContact O-N 3.31Å
12	I	94.3	Very high	91.7	Very high	89 Å²	89	97.8 Å²	97.8	46%	0.456	52%	0.517	S	S	.	.			trans	-90.6	132	-178.9	-56.3	170.7	0	0	0	108.7	Q7 L10 M14	Q7-I12 WeakPolarHBondContact CB-O 3.46Å; Q7-I12 PolarHBondContact O-N 3.27Å; L10-I12 HydrophobicContact CB-CD1 3.82Å; L10-I12 HydrophobicContact CB-CG1 3.92Å; L10-I12 HydrophobicContact CD1-CD1 4.08Å; L10-I12 PolarHBondContact O-N 3.41Å; I12-M14 HydrophobicContact CG2-CG 3.74Å
13	N	91.1	Very high	91.6	Very high	93 Å²	93	93.7 Å²	93.7	50%	0.497	50%	0.495	S	S	.	.			trans	-102	96.6	172.7	-176	-3.6	0	0	0	109.6	K16 W17	N13-K16 WeakPolarHBondContact OD1-CB 3.41Å; N13-K16 PolarHBondContact OD1-N 3.14Å; N13-K16 VanDerWaalsContact OD1-N 3.09Å; N13-W17 PolarHBondContact OD1-N 3.49Å
14	M	92	Very high	91.6	Very high	129 Å²	129	93.9 Å²	93.9	64%	0.635	50%	0.499	S	S	*	.	S	Bend	trans	-92.5	-44.1	176	-60.9	-164.5	-53.6	0	0	111.7	Q7 I12 W17	Q7-M14 HydrophobicContact CG-CE 4.05Å; Q7-M14 VanDerWaalsContact OE1-N 3.12Å; I12-M14 HydrophobicContact CG2-CG 3.74Å; M14-W17 PolarHBondContact O-NE1 2.96Å; M14-W17 VanDerWaalsContact O-NE1 3.11Å
15	D	92.6	Very high	91.6	Very high	71 Å²	71	91.6 Å²	91.6	38%	0.38	49%	0.485	S	S	.	.	S	Bend	trans	-129.4	-15.1	-172.8	58.5	6.2	0	0	0	114.3	Q7 W17 M18	Q7-D15 PolarHBondContact NE2-OD1 3.47Å; Q7-D15 PolarHBondContact NE2-OD2 3.03Å; Q7-D15 VanDerWaalsContact NE2-OD2 3.1Å; Q7-D15 PolarHBondContact OE1-OD1 3.44Å; D15-W17 PolarHBondContact O-N 3.26Å; D15-W17 VanDerWaalsContact O-N 3.11Å; D15-M18 PolarHBondContact O-N 3.37Å
16	K	90.3	Very high	91.8	Very high	86 Å²	86	93 Å²	93	37%	0.374	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-59.2	-29.4	-174.5	-60.7	-177.1	177.5	179.4	0	113.4	N13 M18 L19	N13-K16 WeakPolarHBondContact OD1-CB 3.41Å; N13-K16 PolarHBondContact OD1-N 3.14Å; N13-K16 VanDerWaalsContact OD1-N 3.09Å; K16-M18 PolarHBondContact O-N 3.26Å; K16-L19 HydrophobicContact CB-CD1 4.33Å; K16-L19 HydrophobicContact CG-CD1 4.36Å; K16-L19 PolarHBondContact O-N 3.31Å
17	W	89.5	Confident	91.9	Very high	149 Å²	149	97.6 Å²	97.6	56%	0.564	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-64	-20.2	178.1	65.9	-85.9	0	0	0	114.3	N13 M14 D15	N13-W17 PolarHBondContact OD1-N 3.49Å; M14-W17 PolarHBondContact O-NE1 2.96Å; M14-W17 VanDerWaalsContact O-NE1 3.11Å; D15-W17 PolarHBondContact O-N 3.26Å; D15-W17 VanDerWaalsContact O-N 3.11Å
18	M	90.3	Very high	91.9	Very high	118 Å²	118	105.6 Å²	105.6	58%	0.581	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-99	-6.5	179.1	-71.1	-172.3	-74.3	0	0	114.6	D15 K16 I20	D15-M18 PolarHBondContact O-N 3.37Å; K16-M18 PolarHBondContact O-N 3.26Å; M18-I20 VanDerWaalsContact C-N 3.3Å; M18-I20 PolarHBondContact O-N 3.05Å
19	L	91.3	Very high	92	Very high	129 Å²	129	112.5 Å²	112.5	68%	0.675	56%	0.557	S	S	*	*	S	Bend	trans	-71.7	-25	-169	-67.2	176.9	0	0	0	114	K16	K16-L19 HydrophobicContact CB-CD1 4.33Å; K16-L19 HydrophobicContact CG-CD1 4.36Å; K16-L19 PolarHBondContact O-N 3.31Å
20	I	93.2	Very high	91.9	Very high	70 Å²	70	107.9 Å²	107.9	36%	0.359	55%	0.551	S	S	.	*			trans	-124.1	133.3	-169.9	-12.4	176.6	0	0	0	108.5	M18 G22 G23 I41	M18-I20 VanDerWaalsContact C-N 3.3Å; M18-I20 PolarHBondContact O-N 3.05Å; I20-G22 VanDerWaalsContact C-N 3.29Å; I20-G22 PolarHBondContact O-N 2.9Å; I20-G23 PolarHBondContact O-N 2.89Å; I20-I41 HydrophobicContact CG2-CD1 3.14Å
21	Q	90.3	Very high	91.9	Very high	71 Å²	71	103.7 Å²	103.7	33%	0.332	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-35	178.3	-42.9	173	1.6	0	0	110.3	G23 P31 E37	Q21-G23 PolarHBondContact O-N 2.92Å; Q21-P31 HydrophobicContact CB-CB 4.06Å; Q21-P31 HydrophobicContact CB-CG 3.9Å; Q21-P31 WeakPolarHBondContact O-CG 3.42Å; Q21-E37 WeakPolarHBondContact CA-OE2 3.4Å; Q21-E37 WeakPolarHBondContact CB-OE2 3.46Å; Q21-E37 PolarHBondContact N-OE1 2.93Å; Q21-E37 PolarHBondContact N-OE2 2.92Å
22	G	87.8	Confident	91.9	Very high	27 Å²	27	110.7 Å²	110.7	28%	0.278	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	7.3	177.2	0	0	0	0	0	116.8	I20 H34 E37	I20-G22 VanDerWaalsContact C-N 3.29Å; I20-G22 PolarHBondContact O-N 2.9Å; G22-H34 WeakPolarHBondContact CA-ND1 3.37Å; G22-H34 PolarHBondContact O-CE1 3.32Å; G22-E37 PolarHBondContact N-OE2 3.33Å
23	G	89.7	Confident	92	Very high	28 Å²	28	106.6 Å²	106.6	29%	0.289	52%	0.515	S	S	.	.	S	Bend	trans	-66.8	-178.9	172	0	0	0	0	0	113.4	I20 Q21 Q25	I20-G23 PolarHBondContact O-N 2.89Å; Q21-G23 PolarHBondContact O-N 2.92Å; G23-Q25 PolarHBondContact O-N 3.11Å; G23-Q25 VanDerWaalsContact O-N 3.08Å
24	E	91	Very high	92.2	Very high	187 Å²	187	105.4 Å²	105.4	87%	0.874	51%	0.506	S	S	*	.			trans	-65.9	110.8	176.2	-171.9	172.7	-173.8	0	0	110.6
25	Q	93	Very high	92.4	Very high	75 Å²	75	101.9 Å²	101.9	35%	0.35	50%	0.498	S	S	.	.			trans	-101.1	148.9	177.9	-66.4	-63	-43.9	0	0	111	G23 Y27 K28 R29	G23-Q25 PolarHBondContact O-N 3.11Å; G23-Q25 VanDerWaalsContact O-N 3.08Å; Q25-Y27 PolarHBondContact O-N 3.28Å; Q25-K28 PolarHBondContact O-N 3.5Å; Q25-R29 WeakPolarHBondContact CB-O 3.42Å
26	P	94.4	Very high	92.7	Very high	92 Å²	92	102.2 Å²	102.2	60%	0.597	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-51.2	134.5	172	-25.6	33.9	0	0	0	111.5	K28	P26-K28 PolarHBondContact O-N 2.92Å
27	Y	94.6	Very high	92.9	Very high	206 Å²	206	98.7 Å²	98.7	81%	0.808	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	60.3	22.1	-177.6	-46.5	-77.9	0	0	0	115.1	Q25 R29	Q25-Y27 PolarHBondContact O-N 3.28Å; Y27-R29 PolarHBondContact O-N 3.34Å; Y27-R29 VanDerWaalsContact O-N 3.15Å
28	K	93.3	Very high	93.3	Very high	195 Å²	195	96.6 Å²	96.6	85%	0.848	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	54.2	34	178.5	-55.9	-176.4	178.6	-176.4	0	113.1	Q25 P26 A30	Q25-K28 PolarHBondContact O-N 3.5Å; P26-K28 PolarHBondContact O-N 2.92Å; K28-A30 PolarHBondContact O-N 3Å
29	R	92.6	Very high	93.5	Very high	184 Å²	184	95.9 Å²	95.9	69%	0.694	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-75.3	116.4	179.1	-69.4	-177.1	177.8	-169.1	0.2	109.8	Q25 Y27	Q25-R29 WeakPolarHBondContact CB-O 3.42Å; Y27-R29 PolarHBondContact O-N 3.34Å; Y27-R29 VanDerWaalsContact O-N 3.15Å
30	A	92.8	Very high	93.8	Very high	75 Å²	75	93.4 Å²	93.4	62%	0.62	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-75.1	136.1	176	0	0	0	0	0	111	K28 H34	K28-A30 PolarHBondContact O-N 3Å; A30-H34 HydrophobicContact CB-CB 4.32Å
31	P	93.2	Very high	93.9	Very high	33 Å²	33	93.1 Å²	93.1	21%	0.214	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-69	161.5	169.3	30.2	-36	0	0	0	111.1	Q21 C33 H34	Q21-P31 HydrophobicContact CB-CB 4.06Å; Q21-P31 HydrophobicContact CB-CG 3.9Å; Q21-P31 WeakPolarHBondContact O-CG 3.42Å; P31-C33 PolarHBondContact O-N 3.33Å; P31-H34 HydrophobicContact CG-CB 3.72Å; P31-H34 WeakPolarHBondContact O-CB 3.33Å; P31-H34 PolarHBondContact O-N 3.28Å
32	R	93.3	Very high	94.1	Very high	217 Å²	217	95.7 Å²	95.7	82%	0.819	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.4	-176.9	-67.9	179.1	67	-166.9	-0.2	113.5
33	C	96.4	Very high	94.5	Very high	4 Å²	4	96.4 Å²	96.4	3%	0.027	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	25.4	-177.2	-60.5	0	0	0	0	112.8	P31 A35 F36 E37 F63 C66 M67	P31-C33 PolarHBondContact O-N 3.33Å; C33-A35 VanDerWaalsContact C-N 3.35Å; C33-A35 PolarHBondContact O-N 3.48Å; C33-F36 PolarHBondContact O-N 3.45Å; C33-E37 PolarHBondContact O-N 3.29Å; C33-F63 HydrophobicContact CB-CD2 4.16Å; C33-F63 HydrophobicContact CB-CE2 4.04Å; C33-C66 WeakPolarHBondContact CA-SG 3.44Å; C33-C66 HydrophobicContact CB-CB 3.91Å; C33-C66 WeakPolarHBondContact CB-SG 3.48Å; C33-C66 WeakPolarHBondContact SG-CB 3.37Å; C33-C66 PolarHBondContact SG-O 3.37Å; C33-C66 VanDerWaalsContact SG-O 3.35Å; C33-C66 CovalentContact SG-SG 2.04Å; C33-C66 PolarHBondContact SG-SG 3.04Å; C33-M67 HydrophobicContact CB-SD 4.18Å
34	H	95.7	Very high	94.8	Very high	67 Å²	67	96.2 Å²	96.2	31%	0.31	46%	0.459	S	S	.	.	H	α-helix	trans	-51.7	-48.8	-176.6	-177	57.9	0	0	0	113.6	G22 A30 P31 K38	G22-H34 WeakPolarHBondContact CA-ND1 3.37Å; G22-H34 PolarHBondContact O-CE1 3.32Å; A30-H34 HydrophobicContact CB-CB 4.32Å; P31-H34 HydrophobicContact CG-CB 3.72Å; P31-H34 WeakPolarHBondContact O-CB 3.33Å; P31-H34 PolarHBondContact O-N 3.28Å; H34-K38 VanDerWaalsContact O-CB 3.32Å; H34-K38 WeakPolarHBondContact O-CB 3.47Å; H34-K38 PolarHBondContact O-N 3.02Å
35	A	96.2	Very high	95	Very high	55 Å²	55	93.4 Å²	93.4	46%	0.455	45%	0.45	S	S	.	.	H	α-helix	trans	-63.5	-48.2	-176.2	0	0	0	0	0	111.7	C33 K38 E39	C33-A35 VanDerWaalsContact C-N 3.35Å; C33-A35 PolarHBondContact O-N 3.48Å; A35-K38 PolarHBondContact O-N 3.49Å; A35-E39 WeakPolarHBondContact O-CG 3.44Å; A35-E39 PolarHBondContact O-N 3.43Å
36	F	97	Very high	95.1	Very high	78 Å²	78	93.6 Å²	93.6	34%	0.342	47%	0.472	S	S	.	.	H	α-helix	trans	-66.6	-39.5	-179	-60.3	-69.9	0	0	0	112.7	C33 K38 W40 D62 F63 C66	C33-F36 PolarHBondContact O-N 3.45Å; F36-K38 VanDerWaalsContact C-N 3.34Å; F36-W40 WeakPolarHBondContact O-CB 3.46Å; F36-W40 PolarHBondContact O-N 3.3Å; F36-D62 HydrophobicContact CD1-CB 3.94Å; F36-D62 HydrophobicContact CE1-CB 4.22Å; F36-F63 HydrophobicContact CB-CB 4.04Å; F36-F63 HydrophobicContact CB-CD2 4.14Å; F36-C66 HydrophobicContact CD2-CB 3.66Å; F36-C66 HydrophobicContact CE2-CB 4.06Å; F36-C66 HydrophobicContact CG-CB 4.33Å
37	E	96.1	Very high	95.1	Very high	12 Å²	12	91.3 Å²	91.3	6%	0.056	45%	0.454	C	S	.	.	H	α-helix	trans	-63.9	-42.7	175.8	-168	-174.6	-157.9	0	0	111	Q21 G22 C33 W40 I41 F63	Q21-E37 WeakPolarHBondContact CA-OE2 3.4Å; Q21-E37 WeakPolarHBondContact CB-OE2 3.46Å; Q21-E37 PolarHBondContact N-OE1 2.93Å; Q21-E37 PolarHBondContact N-OE2 2.92Å; G22-E37 PolarHBondContact N-OE2 3.33Å; C33-E37 PolarHBondContact O-N 3.29Å; E37-W40 PolarHBondContact O-N 3.49Å; E37-I41 HydrophobicContact CG-CD1 3.93Å; E37-I41 WeakPolarHBondContact O-CD1 3.47Å; E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.3Å; E37-I41 PolarHBondContact O-N 3.43Å; E37-F63 HydrophobicContact CB-CD2 3.88Å; E37-F63 HydrophobicContact CB-CE2 3.56Å; E37-F63 HydrophobicContact CB-CZ 4.09Å; E37-F63 HydrophobicContact CG-CE2 3.9Å; E37-F63 HydrophobicContact CG-CZ 3.89Å
38	K	96.2	Very high	95	Very high	106 Å²	106	83.4 Å²	83.4	46%	0.461	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-49.7	177.9	-179.1	-177.7	171.3	-174.2	0	111.6	H34 A35 F36 W40 I41 E42	H34-K38 VanDerWaalsContact O-CB 3.32Å; H34-K38 WeakPolarHBondContact O-CB 3.47Å; H34-K38 PolarHBondContact O-N 3.02Å; A35-K38 PolarHBondContact O-N 3.49Å; F36-K38 VanDerWaalsContact C-N 3.34Å; K38-W40 VanDerWaalsContact C-N 3.32Å; K38-W40 PolarHBondContact O-N 3Å; K38-I41 PolarHBondContact O-N 2.98Å; K38-E42 WeakPolarHBondContact CE-OE1 3.46Å; K38-E42 HydrophobicContact CG-CG 4.38Å; K38-E42 IonicContact NZ-OE1 3.72Å; K38-E42 WeakPolarHBondContact O-CB 3.28Å; K38-E42 WeakPolarHBondContact O-CG 3.39Å; K38-E42 PolarHBondContact O-N 3.34Å
39	E	96.3	Very high	95	Very high	102 Å²	102	81.1 Å²	81.1	48%	0.477	43%	0.428	S	S	.	.	H	α-helix	trans	-60.1	-42.1	178.5	-73.6	174.4	179.8	0	0	111.9	A35 E42 C43	A35-E39 WeakPolarHBondContact O-CG 3.44Å; A35-E39 PolarHBondContact O-N 3.43Å; E39-E42 PolarHBondContact O-N 2.97Å; E39-C43 WeakPolarHBondContact O-CB 3.16Å; E39-C43 PolarHBondContact O-N 2.97Å
40	W	96.4	Very high	95.1	Very high	78 Å²	78	78.1 Å²	78.1	30%	0.295	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-43.1	176.7	172.5	60	0	0	0	112.5	F36 E37 K38 C43 A44 E59 F60 F63	F36-W40 WeakPolarHBondContact O-CB 3.46Å; F36-W40 PolarHBondContact O-N 3.3Å; E37-W40 PolarHBondContact O-N 3.49Å; K38-W40 VanDerWaalsContact C-N 3.32Å; K38-W40 PolarHBondContact O-N 3Å; W40-C43 PolarHBondContact O-N 3.45Å; W40-A44 WeakPolarHBondContact O-CB 3.33Å; W40-A44 PolarHBondContact O-N 3.26Å; W40-E59 HydrophobicContact CB-CB 4.15Å; W40-F60 HydrophobicContact CD2-CD2 4.14Å; W40-F60 AromaticContact CE2-CD2 3.59Å; W40-F60 HydrophobicContact CG-CD2 4.41Å; W40-F60 AromaticContact CZ2-CD2 3.89Å; W40-F60 HydrophobicContact CZ2-CD2 3.89Å; W40-F60 HydrophobicContact CZ2-CE2 4.13Å; W40-F60 AromaticContact NE1-CD2 3.54Å; W40-F63 HydrophobicContact CE3-CD1 4.3Å; W40-F63 HydrophobicContact CE3-CE1 4.44Å
41	I	95.6	Very high	95.2	Very high	63 Å²	63	80.7 Å²	80.7	32%	0.323	42%	0.424	S	S	.	.	H	α-helix	trans	-66.8	-46	178.2	-69.4	165.8	0	0	0	110.8	I20 E37 K38 C43 A44 D45	I20-I41 HydrophobicContact CG2-CD1 3.14Å; E37-I41 HydrophobicContact CG-CD1 3.93Å; E37-I41 WeakPolarHBondContact O-CD1 3.47Å; E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.3Å; E37-I41 PolarHBondContact O-N 3.43Å; K38-I41 PolarHBondContact O-N 2.98Å; I41-C43 VanDerWaalsContact C-N 3.26Å; I41-C43 PolarHBondContact O-N 3.47Å; I41-A44 PolarHBondContact O-N 3.45Å; I41-D45 WeakPolarHBondContact O-CB 3.44Å; I41-D45 PolarHBondContact O-N 3.09Å
42	E	95.3	Very high	95.4	Very high	125 Å²	125	79.8 Å²	79.8	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-62	-35	178.7	-72.7	177.6	166.6	0	0	111.8	K38 E39	K38-E42 WeakPolarHBondContact CE-OE1 3.46Å; K38-E42 HydrophobicContact CG-CG 4.38Å; K38-E42 IonicContact NZ-OE1 3.72Å; K38-E42 WeakPolarHBondContact O-CB 3.28Å; K38-E42 WeakPolarHBondContact O-CG 3.39Å; K38-E42 PolarHBondContact O-N 3.34Å; E39-E42 PolarHBondContact O-N 2.97Å
43	C	96.3	Very high	95.4	Very high	42 Å²	42	76.1 Å²	76.1	28%	0.284	41%	0.409	S	S	.	.	H	α-helix	trans	-70.5	-45.4	172.7	-174.8	0	0	0	0	112.3	E39 W40 I41 D45 I47 C56 E59	E39-C43 WeakPolarHBondContact O-CB 3.16Å; E39-C43 PolarHBondContact O-N 2.97Å; W40-C43 PolarHBondContact O-N 3.45Å; I41-C43 VanDerWaalsContact C-N 3.26Å; I41-C43 PolarHBondContact O-N 3.47Å; C43-D45 VanDerWaalsContact C-N 3.32Å; C43-D45 PolarHBondContact O-N 3.1Å; C43-I47 WeakPolarHBondContact O-CD1 3.39Å; C43-C56 HydrophobicContact CB-CB 3.84Å; C43-C56 WeakPolarHBondContact CB-SG 3.43Å; C43-C56 PolarHBondContact O-SG 3.25Å; C43-C56 VanDerWaalsContact SG-CA 3.56Å; C43-C56 WeakPolarHBondContact SG-CB 3.29Å; C43-C56 CovalentContact SG-SG 2.04Å; C43-C56 PolarHBondContact SG-SG 2.87Å; C43-E59 HydrophobicContact CB-CG 4.35Å
44	A	96	Very high	95.4	Very high	24 Å²	24	84.3 Å²	84.3	20%	0.198	44%	0.444	C	S	.	.	H	α-helix	trans	-81.3	-9.3	-172.2	0	0	0	0	0	114.1	W40 I41 I47 A52	W40-A44 WeakPolarHBondContact O-CB 3.33Å; W40-A44 PolarHBondContact O-N 3.26Å; I41-A44 PolarHBondContact O-N 3.45Å; A44-I47 WeakPolarHBondContact O-CG1 3.35Å; A44-A52 HydrophobicContact CB-CB 3.9Å
45	D	95.3	Very high	95.4	Very high	129 Å²	129	86 Å²	86	69%	0.69	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	137.7	-179.1	-168.2	35.3	0	0	0	111.9	I41 C43 I47	I41-D45 WeakPolarHBondContact O-CB 3.44Å; I41-D45 PolarHBondContact O-N 3.09Å; C43-D45 VanDerWaalsContact C-N 3.32Å; C43-D45 PolarHBondContact O-N 3.1Å; D45-I47 PolarHBondContact O-N 2.82Å
46	G	93.4	Very high	95.4	Very high	79 Å²	79	83.4 Å²	83.4	81%	0.814	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-20.3	176.6	0	0	0	0	0	117.9
47	I	94.3	Very high	95.4	Very high	43 Å²	43	85.2 Å²	85.2	22%	0.221	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.3	-176.6	60.3	170.6	0	0	0	114.4	C43 A44 D45 R51 A52	C43-I47 WeakPolarHBondContact O-CD1 3.39Å; A44-I47 WeakPolarHBondContact O-CG1 3.35Å; D45-I47 PolarHBondContact O-N 2.82Å; I47-R51 HydrophobicContact CB-CB 4.46Å; I47-A52 HydrophobicContact CD1-CB 3.81Å; I47-A52 HydrophobicContact CG1-CB 4.07Å
48	G	93.6	Very high	95.5	Very high	41 Å²	41	90 Å²	90	42%	0.423	46%	0.464	S	S	.	.			trans	78.9	153.5	-178.5	0	0	0	0	0	114	T50 R51 A52	G48-T50 VanDerWaalsContact C-N 3.29Å; G48-T50 PolarHBondContact O-N 3.16Å; G48-T50 VanDerWaalsContact O-N 3.17Å; G48-R51 PolarHBondContact O-N 3.45Å; G48-A52 WeakPolarHBondContact O-CB 3.35Å; G48-A52 PolarHBondContact O-N 3.27Å
49	Q	92.4	Very high	95.5	Very high	147 Å²	147	87.4 Å²	87.4	69%	0.687	45%	0.453	S	S	*	.	H	α-helix	trans	-58.7	-36.3	-169	-163.7	-171.8	21.9	0	0	113.8	R51 K53	Q49-R51 PolarHBondContact O-N 2.97Å; Q49-K53 WeakPolarHBondContact O-CG 3.37Å; Q49-K53 PolarHBondContact O-N 2.68Å
50	T	95	Very high	95.5	Very high	121 Å²	121	86.8 Å²	86.8	74%	0.742	45%	0.449	S	S	*	.	H	α-helix	trans	-65.7	-40	-176.5	-47.3	0	0	0	0	112.2	G48	G48-T50 VanDerWaalsContact C-N 3.29Å; G48-T50 PolarHBondContact O-N 3.16Å; G48-T50 VanDerWaalsContact O-N 3.17Å
51	R	95.5	Very high	95.6	Very high	129 Å²	129	86.7 Å²	86.7	49%	0.487	45%	0.452	S	S	.	.	H	α-helix	trans	-80.8	-40.9	177.2	-72.2	-178.8	60.9	-152.3	-8	111.6	I47 G48 Q49 K53 K54 E55	I47-R51 HydrophobicContact CB-CB 4.46Å; G48-R51 PolarHBondContact O-N 3.45Å; Q49-R51 PolarHBondContact O-N 2.97Å; R51-K53 PolarHBondContact O-N 3.27Å; R51-K53 VanDerWaalsContact O-N 3.15Å; R51-K54 PolarHBondContact O-N 3.41Å; R51-E55 IonicContact CZ-OE1 3.27Å; R51-E55 VanDerWaalsContact CZ-OE1 3.27Å; R51-E55 IonicContact CZ-OE2 3.6Å; R51-E55 IonicContact NE-OE1 3.76Å; R51-E55 PolarHBondContact NE-OE1 3.21Å; R51-E55 IonicContact NE-OE2 3.55Å; R51-E55 VanDerWaalsContact NH2-CD 3.26Å; R51-E55 IonicContact NH2-OE1 2.92Å; R51-E55 PolarHBondContact NH2-OE1 2.9Å; R51-E55 IonicContact NH2-OE2 2.78Å; R51-E55 PolarHBondContact NH2-OE2 3.45Å; R51-E55 PolarHBondContact O-N 2.88Å
52	A	96.1	Very high	95.7	Very high	13 Å²	13	86.9 Å²	86.9	11%	0.107	45%	0.454	C	S	.	.	H	α-helix	trans	-54.1	-36.4	177.9	0	0	0	0	0	113.1	A44 I47 G48 K54 C56	A44-A52 HydrophobicContact CB-CB 3.9Å; I47-A52 HydrophobicContact CD1-CB 3.81Å; I47-A52 HydrophobicContact CG1-CB 4.07Å; G48-A52 WeakPolarHBondContact O-CB 3.35Å; G48-A52 PolarHBondContact O-N 3.27Å; A52-K54 PolarHBondContact O-N 3.44Å; A52-C56 WeakPolarHBondContact O-CB 2.83Å; A52-C56 PolarHBondContact O-N 3.21Å
53	K	94.6	Very high	95.8	Very high	141 Å²	141	82 Å²	82	61%	0.613	43%	0.431	S	S	*	.	H	α-helix	trans	-60.9	-25.2	175.5	-77.4	177.2	-179.9	-179.5	0	114.6	Q49 R51	Q49-K53 WeakPolarHBondContact O-CG 3.37Å; Q49-K53 PolarHBondContact O-N 2.68Å; R51-K53 PolarHBondContact O-N 3.27Å; R51-K53 VanDerWaalsContact O-N 3.15Å
54	K	96.4	Very high	95.8	Very high	175 Å²	175	85.6 Å²	85.6	76%	0.761	44%	0.439	S	S	*	.	H	α-helix	trans	-103.8	-45.6	-177.7	-65.1	-174.8	-179.7	-178.5	0	111.9	R51 A52	R51-K54 PolarHBondContact O-N 3.41Å; A52-K54 PolarHBondContact O-N 3.44Å
55	E	95.5	Very high	95.9	Very high	103 Å²	103	86.2 Å²	86.2	48%	0.481	44%	0.438	S	S	.	.	H	α-helix	trans	-77.6	-45.4	-174.8	-68.3	173.4	-149.1	0	0	111.4	R51 K57	R51-E55 IonicContact CZ-OE1 3.27Å; R51-E55 VanDerWaalsContact CZ-OE1 3.27Å; R51-E55 IonicContact CZ-OE2 3.6Å; R51-E55 IonicContact NE-OE1 3.76Å; R51-E55 PolarHBondContact NE-OE1 3.21Å; R51-E55 IonicContact NE-OE2 3.55Å; R51-E55 VanDerWaalsContact NH2-CD 3.26Å; R51-E55 IonicContact NH2-OE1 2.92Å; R51-E55 PolarHBondContact NH2-OE1 2.9Å; R51-E55 IonicContact NH2-OE2 2.78Å; R51-E55 PolarHBondContact NH2-OE2 3.45Å; R51-E55 PolarHBondContact O-N 2.88Å; E55-K57 VanDerWaalsContact C-N 3.31Å; E55-K57 PolarHBondContact O-N 3.39Å
56	C	97.1	Very high	96	Very high	1 Å²	1	80.2 Å²	80.2	1%	0.007	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	32.3	-178.7	-56.3	0	0	0	0	113	C43 A52 L58 E59 F60	C43-C56 HydrophobicContact CB-CB 3.84Å; C43-C56 WeakPolarHBondContact CB-SG 3.43Å; C43-C56 PolarHBondContact O-SG 3.25Å; C43-C56 VanDerWaalsContact SG-CA 3.56Å; C43-C56 WeakPolarHBondContact SG-CB 3.29Å; C43-C56 CovalentContact SG-SG 2.04Å; C43-C56 PolarHBondContact SG-SG 2.87Å; A52-C56 WeakPolarHBondContact O-CB 2.83Å; A52-C56 PolarHBondContact O-N 3.21Å; C56-L58 VanDerWaalsContact C-N 3.35Å; C56-E59 WeakPolarHBondContact CA-OE2 3.45Å; C56-F60 WeakPolarHBondContact O-CB 3.46Å; C56-F60 PolarHBondContact O-N 3.47Å
57	K	96.9	Very high	96.1	Very high	116 Å²	116	80.7 Å²	80.7	50%	0.504	39%	0.388	S	S	.	.	H	α-helix	trans	-69.5	-36.1	-174.4	-177.9	178.1	167.4	-175.5	0	111.5	E55 E61	E55-K57 VanDerWaalsContact C-N 3.31Å; E55-K57 PolarHBondContact O-N 3.39Å; K57-E61 WeakPolarHBondContact CE-OE1 3.42Å; K57-E61 IonicContact NZ-OE1 3.69Å; K57-E61 WeakPolarHBondContact O-CG 3.07Å; K57-E61 PolarHBondContact O-N 3.47Å
58	L	97.2	Very high	96.2	Very high	112 Å²	112	83.5 Å²	83.5	59%	0.586	40%	0.4	S	S	*	.	H	α-helix	trans	-66.4	-50.4	-176.8	-173.7	75.2	0	0	0	110.6	C56 F60 E61 D62	C56-L58 VanDerWaalsContact C-N 3.35Å; L58-F60 VanDerWaalsContact C-N 3.28Å; L58-F60 PolarHBondContact O-N 3.1Å; L58-E61 PolarHBondContact O-N 3.38Å; L58-E61 VanDerWaalsContact O-N 3.12Å; L58-D62 PolarHBondContact O-N 3.42Å
59	E	96.8	Very high	96.3	Very high	51 Å²	51	85.4 Å²	85.4	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-60.8	-40.5	179.9	-59.6	76.5	-173	0	0	110.6	W40 C43 C56 D62 F63	W40-E59 HydrophobicContact CB-CB 4.15Å; C43-E59 HydrophobicContact CB-CG 4.35Å; C56-E59 WeakPolarHBondContact CA-OE2 3.45Å; E59-D62 PolarHBondContact O-N 3.14Å; E59-F63 WeakPolarHBondContact O-CB 3.34Å; E59-F63 PolarHBondContact O-N 3.08Å
60	F	96.7	Very high	96.6	Very high	89 Å²	89	85 Å²	85	39%	0.39	39%	0.393	S	S	.	.	H	α-helix	trans	-66.6	-41.6	175.5	-175.4	-106.8	0	0	0	112.7	W40 C56 L58 D62 F63 Y64	W40-F60 HydrophobicContact CD2-CD2 4.14Å; W40-F60 AromaticContact CE2-CD2 3.59Å; W40-F60 HydrophobicContact CG-CD2 4.41Å; W40-F60 AromaticContact CZ2-CD2 3.89Å; W40-F60 HydrophobicContact CZ2-CD2 3.89Å; W40-F60 HydrophobicContact CZ2-CE2 4.13Å; W40-F60 AromaticContact NE1-CD2 3.54Å; C56-F60 WeakPolarHBondContact O-CB 3.46Å; C56-F60 PolarHBondContact O-N 3.47Å; L58-F60 VanDerWaalsContact C-N 3.28Å; L58-F60 PolarHBondContact O-N 3.1Å; F60-D62 VanDerWaalsContact C-N 3.34Å; F60-F63 PolarHBondContact O-N 2.64Å; F60-Y64 HydrophobicContact CZ-CD2 4.4Å; F60-Y64 VanDerWaalsContact O-CB 3.29Å; F60-Y64 WeakPolarHBondContact O-CB 3.42Å; F60-Y64 PolarHBondContact O-N 3.28Å
61	E	97.6	Very high	96.7	Very high	77 Å²	77	85.2 Å²	85.2	36%	0.36	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-37.4	177.5	-77.8	-175.5	-169.4	0	0	112.2	K57 L58 Y64 E65	K57-E61 WeakPolarHBondContact CE-OE1 3.42Å; K57-E61 IonicContact NZ-OE1 3.69Å; K57-E61 WeakPolarHBondContact O-CG 3.07Å; K57-E61 PolarHBondContact O-N 3.47Å; L58-E61 PolarHBondContact O-N 3.38Å; L58-E61 VanDerWaalsContact O-N 3.12Å; E61-Y64 PolarHBondContact O-N 3.02Å; E61-E65 WeakPolarHBondContact O-CB 3.43Å; E61-E65 PolarHBondContact O-N 3.35Å
62	D	97.8	Very high	96.8	Very high	66 Å²	66	81.5 Å²	81.5	35%	0.353	38%	0.375	S	S	.	.	H	α-helix	trans	-69.5	-42.2	176	-73.2	-20.2	0	0	0	111.6	F36 L58 E59 F60 Y64 E65 C66	F36-D62 HydrophobicContact CD1-CB 3.94Å; F36-D62 HydrophobicContact CE1-CB 4.22Å; L58-D62 PolarHBondContact O-N 3.42Å; E59-D62 PolarHBondContact O-N 3.14Å; F60-D62 VanDerWaalsContact C-N 3.34Å; D62-Y64 VanDerWaalsContact C-N 3.34Å; D62-Y64 PolarHBondContact O-N 3.24Å; D62-E65 PolarHBondContact O-N 2.9Å; D62-C66 WeakPolarHBondContact O-CB 3.03Å; D62-C66 PolarHBondContact O-N 3.05Å
63	F	96.9	Very high	96.8	Very high	23 Å²	23	86.6 Å²	86.6	10%	0.101	40%	0.397	C	S	.	.	H	α-helix	trans	-60.6	-43.8	172.1	176.4	-123.3	0	0	0	111.8	C33 F36 E37 W40 E59 F60 C66 M67	C33-F63 HydrophobicContact CB-CD2 4.16Å; C33-F63 HydrophobicContact CB-CE2 4.04Å; F36-F63 HydrophobicContact CB-CB 4.04Å; F36-F63 HydrophobicContact CB-CD2 4.14Å; E37-F63 HydrophobicContact CB-CD2 3.88Å; E37-F63 HydrophobicContact CB-CE2 3.56Å; E37-F63 HydrophobicContact CB-CZ 4.09Å; E37-F63 HydrophobicContact CG-CE2 3.9Å; E37-F63 HydrophobicContact CG-CZ 3.89Å; W40-F63 HydrophobicContact CE3-CD1 4.3Å; W40-F63 HydrophobicContact CE3-CE1 4.44Å; E59-F63 WeakPolarHBondContact O-CB 3.34Å; E59-F63 PolarHBondContact O-N 3.08Å; F60-F63 PolarHBondContact O-N 2.64Å; F63-C66 PolarHBondContact O-N 3Å; F63-M67 HydrophobicContact CD2-CG 4.26Å; F63-M67 HydrophobicContact CE2-CG 3.8Å; F63-M67 HydrophobicContact CE2-SD 4.18Å; F63-M67 HydrophobicContact CZ-CG 4Å; F63-M67 HydrophobicContact CZ-SD 4.42Å; F63-M67 WeakPolarHBondContact O-CG 3.14Å; F63-M67 PolarHBondContact O-N 3.49Å; F63-M67 VanDerWaalsContact O-N 3.1Å
64	Y	96.9	Very high	97	Very high	118 Å²	118	86.3 Å²	86.3	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-65.3	-40.3	179.1	-163.4	-95.8	0	0	0	112.2	F60 E61 D62 M67 H68	F60-Y64 HydrophobicContact CZ-CD2 4.4Å; F60-Y64 VanDerWaalsContact O-CB 3.29Å; F60-Y64 WeakPolarHBondContact O-CB 3.42Å; F60-Y64 PolarHBondContact O-N 3.28Å; E61-Y64 PolarHBondContact O-N 3.02Å; D62-Y64 VanDerWaalsContact C-N 3.34Å; D62-Y64 PolarHBondContact O-N 3.24Å; Y64-M67 PolarHBondContact O-N 3.17Å; Y64-H68 AromaticContact CD1-ND1 3.78Å; Y64-H68 AromaticContact CD2-CE1 3.72Å; Y64-H68 AromaticContact CD2-ND1 3.81Å; Y64-H68 AromaticContact CE1-ND1 3.67Å; Y64-H68 AromaticContact CE2-CE1 3.3Å; Y64-H68 WeakPolarHBondContact CE2-CE1 3.47Å; Y64-H68 AromaticContact CE2-ND1 3.69Å; Y64-H68 AromaticContact CG-ND1 3.85Å; Y64-H68 AromaticContact CZ-CE1 3.46Å; Y64-H68 VanDerWaalsContact CZ-CE1 3.46Å; Y64-H68 AromaticContact CZ-ND1 3.62Å; Y64-H68 PolarHBondContact O-N 3.21Å; Y64-H68 VanDerWaalsContact O-N 3.08Å; Y64-H68 PolarHBondContact O-ND1 3.27Å
65	E	98.1	Very high	97.1	Very high	36 Å²	36	86.3 Å²	86.3	17%	0.168	39%	0.39	C	S	.	.	H	α-helix	trans	-64.2	-43.1	172.6	-162.3	-71.6	153.7	0	0	111	E61 D62 M67 H68 R69 K71 T72	E61-E65 WeakPolarHBondContact O-CB 3.43Å; E61-E65 PolarHBondContact O-N 3.35Å; D62-E65 PolarHBondContact O-N 2.9Å; E65-M67 VanDerWaalsContact C-N 3.26Å; E65-M67 PolarHBondContact O-N 3.21Å; E65-H68 PolarHBondContact O-N 2.88Å; E65-R69 WeakPolarHBondContact O-CA 3.37Å; E65-R69 PolarHBondContact O-N 3.36Å; E65-K71 HydrophobicContact CG-CB 3.95Å; E65-K71 HydrophobicContact CG-CD 4Å; E65-K71 HydrophobicContact CG-CG 4.08Å; E65-T72 WeakPolarHBondContact OE1-CB 3.49Å; E65-T72 PolarHBondContact OE1-N 3.2Å; E65-T72 VanDerWaalsContact OE1-N 3.16Å; E65-T72 PolarHBondContact OE1-OG1 3.15Å
66	C	97	Very high	97.2	Very high	4 Å²	4	86.2 Å²	86.2	3%	0.027	39%	0.393	C	S	.	.	H	α-helix	trans	-58.9	-40.7	179.6	-178.8	0	0	0	0	112	C33 F36 D62 F63 R69	C33-C66 WeakPolarHBondContact CA-SG 3.44Å; C33-C66 HydrophobicContact CB-CB 3.91Å; C33-C66 WeakPolarHBondContact CB-SG 3.48Å; C33-C66 WeakPolarHBondContact SG-CB 3.37Å; C33-C66 PolarHBondContact SG-O 3.37Å; C33-C66 VanDerWaalsContact SG-O 3.35Å; C33-C66 CovalentContact SG-SG 2.04Å; C33-C66 PolarHBondContact SG-SG 3.04Å; F36-C66 HydrophobicContact CD2-CB 3.66Å; F36-C66 HydrophobicContact CE2-CB 4.06Å; F36-C66 HydrophobicContact CG-CB 4.33Å; D62-C66 WeakPolarHBondContact O-CB 3.03Å; D62-C66 PolarHBondContact O-N 3.05Å; F63-C66 PolarHBondContact O-N 3Å; C66-R69 PolarHBondContact O-NE 2.96Å
67	M	95.6	Very high	97.3	Very high	88 Å²	88	93.4 Å²	93.4	43%	0.433	42%	0.421	S	S	.	.	H	α-helix	trans	-70.9	-46.1	-179.7	-72.7	-66.4	-68.4	0	0	112.7	C33 F63 Y64 E65	C33-M67 HydrophobicContact CB-SD 4.18Å; F63-M67 HydrophobicContact CD2-CG 4.26Å; F63-M67 HydrophobicContact CE2-CG 3.8Å; F63-M67 HydrophobicContact CE2-SD 4.18Å; F63-M67 HydrophobicContact CZ-CG 4Å; F63-M67 HydrophobicContact CZ-SD 4.42Å; F63-M67 WeakPolarHBondContact O-CG 3.14Å; F63-M67 PolarHBondContact O-N 3.49Å; F63-M67 VanDerWaalsContact O-N 3.1Å; Y64-M67 PolarHBondContact O-N 3.17Å; E65-M67 VanDerWaalsContact C-N 3.26Å; E65-M67 PolarHBondContact O-N 3.21Å
68	H	96.3	Very high	97.3	Very high	102 Å²	102	93.1 Å²	93.1	47%	0.472	42%	0.421	S	S	.	.	H	α-helix	trans	-98.7	-21.2	-171.9	-61.4	88.4	0	0	0	114.2	Y64 E65 E70	Y64-H68 AromaticContact CD1-ND1 3.78Å; Y64-H68 AromaticContact CD2-CE1 3.72Å; Y64-H68 AromaticContact CD2-ND1 3.81Å; Y64-H68 AromaticContact CE1-ND1 3.67Å; Y64-H68 AromaticContact CE2-CE1 3.3Å; Y64-H68 WeakPolarHBondContact CE2-CE1 3.47Å; Y64-H68 AromaticContact CE2-ND1 3.69Å; Y64-H68 AromaticContact CG-ND1 3.85Å; Y64-H68 AromaticContact CZ-CE1 3.46Å; Y64-H68 VanDerWaalsContact CZ-CE1 3.46Å; Y64-H68 AromaticContact CZ-ND1 3.62Å; Y64-H68 PolarHBondContact O-N 3.21Å; Y64-H68 VanDerWaalsContact O-N 3.08Å; Y64-H68 PolarHBondContact O-ND1 3.27Å; E65-H68 PolarHBondContact O-N 2.88Å; H68-E70 PolarHBondContact O-N 2.83Å; H68-E70 VanDerWaalsContact O-N 3.09Å
69	R	96.9	Very high	97.3	Very high	82 Å²	82	92.2 Å²	92.2	31%	0.309	42%	0.416	S	S	.	.			trans	52.8	26.3	-178.5	-61.5	-66.9	-178.2	152.8	-0.9	114.5	E65 C66 K71 T72 H73	E65-R69 WeakPolarHBondContact O-CA 3.37Å; E65-R69 PolarHBondContact O-N 3.36Å; C66-R69 PolarHBondContact O-NE 2.96Å; R69-K71 PolarHBondContact O-N 2.04Å; R69-T72 WeakPolarHBondContact O-CB 3.41Å; R69-T72 PolarHBondContact O-N 3.49Å; R69-H73 WeakPolarHBondContact O-CB 3.14Å; R69-H73 PolarHBondContact O-CD2 3.12Å; R69-H73 PolarHBondContact O-N 2.97Å
70	E	97.4	Very high	97.3	Very high	137 Å²	137	97.2 Å²	97.2	64%	0.64	43%	0.433	S	S	*	.	H	α-helix	trans	-60.1	-49.8	-174.3	-172.1	-171.4	167	0	0	112	H68 T72 H73 K74	H68-E70 PolarHBondContact O-N 2.83Å; H68-E70 VanDerWaalsContact O-N 3.09Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 3.18Å; E70-H73 PolarHBondContact O-N 2.96Å; E70-K74 WeakPolarHBondContact O-CB 3.09Å; E70-K74 PolarHBondContact O-N 3.36Å
71	K	97.1	Very high	97.3	Very high	127 Å²	127	99.5 Å²	99.5	55%	0.552	44%	0.442	S	S	*	.	H	α-helix	trans	-61.9	-43.6	178.4	-63.3	-178.6	-173.4	167	0	110.6	E65 R69 K74 R75	E65-K71 HydrophobicContact CG-CB 3.95Å; E65-K71 HydrophobicContact CG-CD 4Å; E65-K71 HydrophobicContact CG-CG 4.08Å; R69-K71 PolarHBondContact O-N 2.04Å; K71-K74 PolarHBondContact O-N 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.36Å; K71-R75 PolarHBondContact O-N 2.92Å
72	T	97.2	Very high	97.3	Very high	50 Å²	50	100.4 Å²	100.4	31%	0.307	45%	0.447	S	S	.	.	H	α-helix	trans	-58.5	-48.4	175	-60	0	0	0	0	111.9	E65 R69 E70 R75 L76	E65-T72 WeakPolarHBondContact OE1-CB 3.49Å; E65-T72 PolarHBondContact OE1-N 3.2Å; E65-T72 VanDerWaalsContact OE1-N 3.16Å; E65-T72 PolarHBondContact OE1-OG1 3.15Å; R69-T72 WeakPolarHBondContact O-CB 3.41Å; R69-T72 PolarHBondContact O-N 3.49Å; E70-T72 VanDerWaalsContact C-N 3.33Å; E70-T72 PolarHBondContact O-N 3.18Å; T72-R75 PolarHBondContact O-N 2.99Å; T72-L76 HydrophobicContact CG2-CD1 4.1Å; T72-L76 WeakPolarHBondContact O-CG 3.43Å; T72-L76 PolarHBondContact O-N 3.18Å
73	H	97.9	Very high	97.1	Very high	121 Å²	121	101.9 Å²	101.9	56%	0.56	45%	0.447	S	S	*	.	H	α-helix	trans	-63.4	-43.1	179.4	-80.8	-61	0	0	0	112.4	R69 E70 R75 L76 Y77	R69-H73 WeakPolarHBondContact O-CB 3.14Å; R69-H73 PolarHBondContact O-CD2 3.12Å; R69-H73 PolarHBondContact O-N 2.97Å; E70-H73 PolarHBondContact O-N 2.96Å; H73-R75 PolarHBondContact O-N 2.04Å; H73-L76 PolarHBondContact O-N 3.1Å; H73-Y77 WeakPolarHBondContact O-CB 3.4Å; H73-Y77 PolarHBondContact O-N 3.34Å
74	K	98.3	Very high	97	Very high	134 Å²	134	103.5 Å²	103.5	58%	0.583	46%	0.457	S	S	*	.	H	α-helix	trans	-59.6	-46.3	175.9	-174.4	176.5	179.4	179.8	0	111.4	E70 K71 L76 Y77 E78	E70-K74 WeakPolarHBondContact O-CB 3.09Å; E70-K74 PolarHBondContact O-N 3.36Å; K71-K74 PolarHBondContact O-N 3.31Å; K74-L76 PolarHBondContact O-N 3.35Å; K74-Y77 WeakPolarHBondContact O-CB 3.01Å; K74-Y77 PolarHBondContact O-N 2.77Å; K74-E78 WeakPolarHBondContact CE-OE1 3.35Å; K74-E78 WeakPolarHBondContact O-CG 3.21Å; K74-E78 PolarHBondContact O-N 2.78Å
75	R	98.1	Very high	97	Very high	175 Å²	175	103 Å²	103	66%	0.66	46%	0.457	S	S	*	.	H	α-helix	trans	-60.1	-47.1	176.8	-177	-177.7	175.5	103	-0.1	111.8	K71 T72 H73 Y77 E78 I79	K71-R75 WeakPolarHBondContact O-CB 3.36Å; K71-R75 PolarHBondContact O-N 2.92Å; T72-R75 PolarHBondContact O-N 2.99Å; H73-R75 PolarHBondContact O-N 2.04Å; R75-Y77 VanDerWaalsContact C-N 3.31Å; R75-Y77 PolarHBondContact O-N 2.92Å; R75-E78 PolarHBondContact O-N 3.48Å; R75-I79 HydrophobicContact CG-CD1 3.93Å; R75-I79 VanDerWaalsContact O-CG1 3.28Å; R75-I79 WeakPolarHBondContact O-CG1 3.28Å; R75-I79 PolarHBondContact O-N 3.42Å
76	L	98	Very high	96.9	Very high	101 Å²	101	103.8 Å²	103.8	53%	0.529	46%	0.461	S	S	.	.	H	α-helix	trans	-63.1	-38.2	178.9	-70.9	173.7	0	0	0	112.2	T72 H73 K74 R80	T72-L76 HydrophobicContact CG2-CD1 4.1Å; T72-L76 WeakPolarHBondContact O-CG 3.43Å; T72-L76 PolarHBondContact O-N 3.18Å; H73-L76 PolarHBondContact O-N 3.1Å; K74-L76 PolarHBondContact O-N 3.35Å; L76-R80 WeakPolarHBondContact O-CB 3.5Å; L76-R80 PolarHBondContact O-N 3.19Å
77	Y	98.2	Very high	96.8	Very high	153 Å²	153	106.8 Å²	106.8	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-62.5	-47	175.8	175.6	-98.3	0	0	0	112	H73 K74 R75 R80 K81	H73-Y77 WeakPolarHBondContact O-CB 3.4Å; H73-Y77 PolarHBondContact O-N 3.34Å; K74-Y77 WeakPolarHBondContact O-CB 3.01Å; K74-Y77 PolarHBondContact O-N 2.77Å; R75-Y77 VanDerWaalsContact C-N 3.31Å; R75-Y77 PolarHBondContact O-N 2.92Å; Y77-R80 PolarHBondContact O-N 3.46Å; Y77-K81 HydrophobicContact CE1-CD 4.43Å; Y77-K81 WeakPolarHBondContact O-CB 3.42Å; Y77-K81 PolarHBondContact O-N 2.95Å
78	E	98.4	Very high	96.7	Very high	109 Å²	109	111.5 Å²	111.5	51%	0.509	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-43.6	178.2	-71.6	173	-177.1	0	0	112	K74 R75 R80 K81 Q82	K74-E78 WeakPolarHBondContact CE-OE1 3.35Å; K74-E78 WeakPolarHBondContact O-CG 3.21Å; K74-E78 PolarHBondContact O-N 2.78Å; R75-E78 PolarHBondContact O-N 3.48Å; E78-R80 VanDerWaalsContact C-N 3.34Å; E78-R80 PolarHBondContact O-N 3.25Å; E78-K81 PolarHBondContact O-N 3Å; E78-Q82 PolarHBondContact O-N 2.98Å
79	I	96.9	Very high	96.6	Very high	93 Å²	93	112 Å²	112	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-58.6	-47.3	174.9	-69.3	167.6	0	0	0	110.6	R75 K81 Q82 R83	R75-I79 HydrophobicContact CG-CD1 3.93Å; R75-I79 VanDerWaalsContact O-CG1 3.28Å; R75-I79 WeakPolarHBondContact O-CG1 3.28Å; R75-I79 PolarHBondContact O-N 3.42Å; I79-K81 PolarHBondContact O-N 3.43Å; I79-Q82 PolarHBondContact O-N 2.9Å; I79-R83 WeakPolarHBondContact O-CB 3.45Å; I79-R83 PolarHBondContact O-N 3.45Å
80	R	96.3	Very high	96.4	Very high	156 Å²	156	111.1 Å²	111.1	59%	0.589	52%	0.516	S	S	*	.	H	α-helix	trans	-61.4	-45.5	178.5	-179.1	176.6	177.8	172.7	1.3	111.4	L76 Y77 E78 Q82 R83 D84	L76-R80 WeakPolarHBondContact O-CB 3.5Å; L76-R80 PolarHBondContact O-N 3.19Å; Y77-R80 PolarHBondContact O-N 3.46Å; E78-R80 VanDerWaalsContact C-N 3.34Å; E78-R80 PolarHBondContact O-N 3.25Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; R80-Q82 PolarHBondContact O-N 3.03Å; R80-R83 PolarHBondContact O-N 2.92Å; R80-D84 IonicContact NE-OD2 3.84Å; R80-D84 WeakPolarHBondContact O-CB 3.3Å; R80-D84 PolarHBondContact O-N 2.8Å
81	K	97.4	Very high	96.2	Very high	137 Å²	137	109.5 Å²	109.5	60%	0.596	52%	0.516	S	S	*	.	H	α-helix	trans	-59.1	-44.9	178.3	-175.7	180	179.1	-179.1	0	111.6	Y77 E78 I79 K85	Y77-K81 HydrophobicContact CE1-CD 4.43Å; Y77-K81 WeakPolarHBondContact O-CB 3.42Å; Y77-K81 PolarHBondContact O-N 2.95Å; E78-K81 PolarHBondContact O-N 3Å; I79-K81 PolarHBondContact O-N 3.43Å; K81-K85 PolarHBondContact O-N 3.05Å; K81-K85 VanDerWaalsContact O-N 3.11Å
82	Q	96.6	Very high	95.9	Very high	97 Å²	97	107.7 Å²	107.7	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-43.3	178.4	-177.2	59.5	19.6	0	0	111.8	E78 I79 R80 D84 K85 M86	E78-Q82 PolarHBondContact O-N 2.98Å; I79-Q82 PolarHBondContact O-N 2.9Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; R80-Q82 PolarHBondContact O-N 3.03Å; Q82-D84 PolarHBondContact O-N 3.33Å; Q82-K85 WeakPolarHBondContact O-CB 3.47Å; Q82-K85 PolarHBondContact O-N 3.29Å; Q82-M86 HydrophobicContact CG-CE 4.16Å; Q82-M86 HydrophobicContact CG-SD 4.35Å; Q82-M86 WeakPolarHBondContact O-CG 3.23Å; Q82-M86 PolarHBondContact O-N 3.11Å
83	R	94.6	Very high	95.5	Very high	97 Å²	97	113.6 Å²	113.6	37%	0.366	53%	0.53	S	S	.	.	H	α-helix	trans	-57.6	-49.7	174.6	-177.2	-160.2	67.6	-176.8	2.1	111.3	I79 R80 K85 M86 V87 Y92	I79-R83 WeakPolarHBondContact O-CB 3.45Å; I79-R83 PolarHBondContact O-N 3.45Å; R80-R83 PolarHBondContact O-N 2.92Å; R83-K85 PolarHBondContact O-N 3.03Å; R83-M86 PolarHBondContact O-N 3.2Å; R83-M86 VanDerWaalsContact O-N 3.14Å; R83-V87 HydrophobicContact CG-CG2 4.35Å; R83-V87 WeakPolarHBondContact O-CG2 3.48Å; R83-V87 PolarHBondContact O-N 3.26Å; R83-Y92 HydrophobicContact CG-CD1 4.11Å; R83-Y92 HydrophobicContact CG-CE1 3.9Å
84	D	95.1	Very high	95	Very high	56 Å²	56	110.5 Å²	110.5	30%	0.299	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-29.8	-177.7	-64.8	-10.4	0	0	0	111.5	R80 Q82 K88	R80-D84 IonicContact NE-OD2 3.84Å; R80-D84 WeakPolarHBondContact O-CB 3.3Å; R80-D84 PolarHBondContact O-N 2.8Å; Q82-D84 PolarHBondContact O-N 3.33Å; D84-K88 VanDerWaalsContact O-CG 3.23Å; D84-K88 WeakPolarHBondContact O-CG 3.46Å; D84-K88 PolarHBondContact O-N 3.09Å
85	K	96.8	Very high	94.5	Very high	108 Å²	108	105.9 Å²	105.9	47%	0.47	50%	0.504	S	S	.	.	H	α-helix	trans	-66.6	-51.2	170.4	-179.1	-179.5	171	-177.5	0	111.8	K81 Q82 R83 V87 K88 E89	K81-K85 PolarHBondContact O-N 3.05Å; K81-K85 VanDerWaalsContact O-N 3.11Å; Q82-K85 WeakPolarHBondContact O-CB 3.47Å; Q82-K85 PolarHBondContact O-N 3.29Å; R83-K85 PolarHBondContact O-N 3.03Å; K85-V87 VanDerWaalsContact C-N 3.32Å; K85-V87 PolarHBondContact O-N 3.19Å; K85-K88 WeakPolarHBondContact O-CB 3.32Å; K85-K88 PolarHBondContact O-N 2.77Å; K85-K88 VanDerWaalsContact O-N 3.14Å; K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 WeakPolarHBondContact CG-OE1 3.38Å; K85-E89 IonicContact NZ-OE1 3.89Å; K85-E89 WeakPolarHBondContact O-CG 3.37Å; K85-E89 PolarHBondContact O-N 2.89Å
86	M	95.4	Very high	94	Very high	52 Å²	52	99.8 Å²	99.8	26%	0.256	49%	0.491	S	S	.	.	H	α-helix	trans	-66.2	-32.9	-178.1	-63.8	-177.8	-57.9	0	0	112.9	Q82 R83 E89 G90 T91 Y92	Q82-M86 HydrophobicContact CG-CE 4.16Å; Q82-M86 HydrophobicContact CG-SD 4.35Å; Q82-M86 WeakPolarHBondContact O-CG 3.23Å; Q82-M86 PolarHBondContact O-N 3.11Å; R83-M86 PolarHBondContact O-N 3.2Å; R83-M86 VanDerWaalsContact O-N 3.14Å; M86-E89 PolarHBondContact O-N 3.04Å; M86-G90 PolarHBondContact O-N 3.49Å; M86-T91 PolarHBondContact O-N 3.11Å; M86-T91 PolarHBondContact O-OG1 3.34Å; M86-Y92 HydrophobicContact CE-CG 4.32Å; M86-Y92 PolarHBondContact O-N 3.15Å
87	V	93.7	Very high	93.4	Very high	67 Å²	67	100.5 Å²	100.5	41%	0.406	49%	0.491	S	S	.	.	H	α-helix	trans	-65.7	-41.2	173	172.7	0	0	0	0	110.8	R83 K85 E89 G90 Y92 T94	R83-V87 HydrophobicContact CG-CG2 4.35Å; R83-V87 WeakPolarHBondContact O-CG2 3.48Å; R83-V87 PolarHBondContact O-N 3.26Å; K85-V87 VanDerWaalsContact C-N 3.32Å; K85-V87 PolarHBondContact O-N 3.19Å; V87-E89 VanDerWaalsContact C-N 3.34Å; V87-G90 PolarHBondContact O-N 3.08Å; V87-Y92 HydrophobicContact CG2-CD1 3.91Å; V87-T94 HydrophobicContact CG2-CG2 4.36Å
88	K	93.5	Very high	92.8	Very high	188 Å²	188	99.7 Å²	99.7	82%	0.817	49%	0.493	S	S	*	.	H	α-helix	trans	-66	-35.6	175.7	-73.8	173.9	-176.9	-174.2	0	112.8	D84 K85 G90	D84-K88 VanDerWaalsContact O-CG 3.23Å; D84-K88 WeakPolarHBondContact O-CG 3.46Å; D84-K88 PolarHBondContact O-N 3.09Å; K85-K88 WeakPolarHBondContact O-CB 3.32Å; K85-K88 PolarHBondContact O-N 2.77Å; K85-K88 VanDerWaalsContact O-N 3.14Å; K88-G90 PolarHBondContact O-N 3.3Å
89	E	95.9	Very high	92.1	Very high	112 Å²	112	98.5 Å²	98.5	52%	0.523	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-9.7	175.3	-68.6	170.5	178.9	0	0	112.8	K85 M86 V87 T91	K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 WeakPolarHBondContact CG-OE1 3.38Å; K85-E89 IonicContact NZ-OE1 3.89Å; K85-E89 WeakPolarHBondContact O-CG 3.37Å; K85-E89 PolarHBondContact O-N 2.89Å; M86-E89 PolarHBondContact O-N 3.04Å; V87-E89 VanDerWaalsContact C-N 3.34Å; E89-T91 HydrophobicContact CB-CG2 4.22Å; E89-T91 PolarHBondContact O-N 3.4Å
90	G	92	Very high	91.4	Very high	63 Å²	63	97.2 Å²	97.2	65%	0.649	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	5.1	-177.5	0	0	0	0	0	114.6	M86 V87 K88 Y92	M86-G90 PolarHBondContact O-N 3.49Å; V87-G90 PolarHBondContact O-N 3.08Å; K88-G90 PolarHBondContact O-N 3.3Å; G90-Y92 VanDerWaalsContact C-N 3.34Å
91	T	93.6	Very high	90.5	Very high	103 Å²	103	93.8 Å²	93.8	63%	0.632	51%	0.508	S	S	*	.	S	Bend	trans	-80.9	-15	-178.2	55	0	0	0	0	113.1	M86 E89	M86-T91 PolarHBondContact O-N 3.11Å; M86-T91 PolarHBondContact O-OG1 3.34Å; E89-T91 HydrophobicContact CB-CG2 4.22Å; E89-T91 PolarHBondContact O-N 3.4Å
92	Y	90.4	Very high	89.5	Confident	89 Å²	89	92.6 Å²	92.6	35%	0.349	50%	0.504	S	S	.	.			trans	-133.8	129.2	179.1	-179.1	-101.9	0	0	0	111.6	R83 M86 V87 G90 T94	R83-Y92 HydrophobicContact CG-CD1 4.11Å; R83-Y92 HydrophobicContact CG-CE1 3.9Å; M86-Y92 HydrophobicContact CE-CG 4.32Å; M86-Y92 PolarHBondContact O-N 3.15Å; V87-Y92 HydrophobicContact CG2-CD1 3.91Å; G90-Y92 VanDerWaalsContact C-N 3.34Å; Y92-T94 HydrophobicContact CE1-CG2 4.29Å
93	Q	88	Confident	88.3	Confident	174 Å²	174	91.6 Å²	91.6	81%	0.813	51%	0.513	S	S	*	.			trans	-108	133.1	172.7	-168.4	167.9	24.5	0	0	110.4
94	T	88.3	Confident	87.3	Confident	57 Å²	57	92.6 Å²	92.6	35%	0.35	53%	0.525	S	S	.	.			trans	-68.8	133.6	178.5	51	0	0	0	0	110.7	V87 Y92	V87-T94 HydrophobicContact CG2-CG2 4.36Å; Y92-T94 HydrophobicContact CE1-CG2 4.29Å
95	P	88.4	Confident	86.3	Confident	36 Å²	36	96.8 Å²	96.8	23%	0.234	55%	0.548	C	S	.	.			trans	-72.7	156.5	-177.4	31.6	-36.9	0	0	0	112.3	H97 H98 T99	P95-H97 VanDerWaalsContact C-N 3.28Å; P95-H97 WeakPolarHBondContact CB-CE1 2.79Å; P95-H97 PolarHBondContact O-N 3.46Å; P95-H98 HydrophobicContact CG-CB 4.24Å; P95-H98 VanDerWaalsContact CG-ND1 3.35Å; P95-H98 WeakPolarHBondContact CG-ND1 3.39Å; P95-H98 PolarHBondContact O-N 2.92Å; P95-T99 PolarHBondContact O-N 3.43Å
96	A	85.7	Confident	85.4	Confident	48 Å²	48	101.2 Å²	101.2	40%	0.397	56%	0.561	S	S	.	*	H	α-helix	trans	-60.9	-30.1	-172.3	0	0	0	0	0	114.7	H98 T99 G100 A101	A96-H98 VanDerWaalsContact C-N 3.28Å; A96-H98 PolarHBondContact O-N 3.36Å; A96-T99 WeakPolarHBondContact CA-OG1 3.32Å; A96-T99 PolarHBondContact O-N 2.94Å; A96-T99 PolarHBondContact O-OG1 3.17Å; A96-G100 PolarHBondContact O-N 3.23Å; A96-A101 HydrophobicContact CB-CB 4.46Å; A96-A101 PolarHBondContact O-N 2.91Å
97	H	86.1	Confident	84.3	Confident	115 Å²	115	108.2 Å²	108.2	53%	0.532	61%	0.611	S	S	.	*	H	α-helix	trans	-74.2	-16.3	176.6	56.4	-94.7	0	0	0	113.3	P95	P95-H97 VanDerWaalsContact C-N 3.28Å; P95-H97 WeakPolarHBondContact CB-CE1 2.79Å; P95-H97 PolarHBondContact O-N 3.46Å
98	H	86.4	Confident	83.8	Confident	136 Å²	136	110.3 Å²	110.3	63%	0.63	62%	0.621	S	S	*	*	H	α-helix	trans	-91.9	-11.8	172.2	-67.2	163.7	0	0	0	113	P95 A96	P95-H98 HydrophobicContact CG-CB 4.24Å; P95-H98 VanDerWaalsContact CG-ND1 3.35Å; P95-H98 WeakPolarHBondContact CG-ND1 3.39Å; P95-H98 PolarHBondContact O-N 2.92Å; A96-H98 VanDerWaalsContact C-N 3.28Å; A96-H98 PolarHBondContact O-N 3.36Å
99	T	84.1	Confident	83.3	Confident	84 Å²	84	106.2 Å²	106.2	52%	0.515	61%	0.611	S	S	.	*	H	α-helix	trans	-102.7	-4.5	177.7	58.2	0	0	0	0	113.2	P95 A96 A101	P95-T99 PolarHBondContact O-N 3.43Å; A96-T99 WeakPolarHBondContact CA-OG1 3.32Å; A96-T99 PolarHBondContact O-N 2.94Å; A96-T99 PolarHBondContact O-OG1 3.17Å; T99-A101 VanDerWaalsContact C-N 3.26Å; T99-A101 PolarHBondContact O-N 2.97Å
100	G	80.4	Confident	82.6	Confident	66 Å²	66	105.9 Å²	105.9	68%	0.68	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	75	12.5	-178.4	0	0	0	0	0	114.3	A96 Q102	A96-G100 PolarHBondContact O-N 3.23Å; G100-Q102 VanDerWaalsContact C-N 3.29Å
101	A	77.6	Confident	82	Confident	84 Å²	84	108.4 Å²	108.4	69%	0.694	61%	0.614	S	S	*	*			trans	-80.7	-9.7	179.5	0	0	0	0	0	113.3	A96 T99	A96-A101 HydrophobicContact CB-CB 4.46Å; A96-A101 PolarHBondContact O-N 2.91Å; T99-A101 VanDerWaalsContact C-N 3.26Å; T99-A101 PolarHBondContact O-N 2.97Å
102	Q	76.4	Confident	81.3	Confident	112 Å²	112	108.8 Å²	108.8	52%	0.523	61%	0.613	S	S	.	*	S	Bend	trans	-111.6	132.7	176.6	-168.4	166.8	17.1	0	0	109.1	G100 D104	G100-Q102 VanDerWaalsContact C-N 3.29Å; Q102-D104 PolarHBondContact O-N 3.43Å
103	A	72.2	Confident	80.7	Confident	76 Å²	76	110.1 Å²	110.1	63%	0.628	63%	0.63	S	S	*	*			trans	-58.6	132.6	175.2	0	0	0	0	0	110	N105	A103-N105 PolarHBondContact O-N 3.35Å; A103-N105 VanDerWaalsContact O-N 3.14Å
104	D	73.8	Confident	80.2	Confident	119 Å²	119	105.5 Å²	105.5	64%	0.636	62%	0.617	S	S	*	*			trans	-70.3	108.7	175.7	-163.6	0.2	0	0	0	108.2	Q102 R106	Q102-D104 PolarHBondContact O-N 3.43Å; D104-R106 PolarHBondContact O-N 3.38Å; D104-R106 WeakPolarHBondContact OD1-CG 3.43Å; D104-R106 PolarHBondContact OD1-N 2.99Å; D104-R106 IonicContact OD1-NE 2.77Å
105	N	73.1	Confident	79.6	Confident	144 Å²	144	109.2 Å²	109.2	77%	0.77	64%	0.638	S	S	*	*			trans	-85.9	15.9	-178.9	-68.2	-27.4	0	0	0	112.2	A103	A103-N105 PolarHBondContact O-N 3.35Å; A103-N105 VanDerWaalsContact O-N 3.14Å
106	R	78.8	Confident	78.8	Confident	200 Å²	200	115.3 Å²	115.3	76%	0.755	67%	0.672	S	S	*	*			trans	-77	130.9	170.1	-66.7	175.8	-153.1	-169.7	4.9	108.6	D104	D104-R106 PolarHBondContact O-N 3.38Å; D104-R106 WeakPolarHBondContact OD1-CG 3.43Å; D104-R106 PolarHBondContact OD1-N 2.99Å; D104-R106 IonicContact OD1-NE 2.77Å
107	P	71.4	Confident	78.2	Confident	200 Å²	200	121.5 Å²	121.5	100%	1.299	70%	0.697	S	S	*	*			trans	-63.6	0	179.7	28.7	-35.2	0	0	0	112.6

Retrieved 107 of 107 residues in 59.8 ms (Link to these results)

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