A0A077ZNP1_TRITR Loading...

SNARE domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 aa.

						>A0A077ZNP1_TRITR|A0A077ZNP1
MSAGKQVDSEQLEEMIESGNPAIFTQGIITDTQQAKQTLADIEARHNDIMKLESSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAKDYVDRAVSDTKKAVQYQSKARRLLICTTIFSLLPLTPPYWG
					

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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	34.7	Very low	61.7	Low	240 Å²	240	128 Å²	128	100%	1.182	73%	0.725	S	S	*	*				0	118.2	0	-65.1	171	75.8	0	0	106	A3	M1-A3 PolarHBondContact O-N 2.99Å
2	S	42.8	Very low	62.8	Low	132 Å²	132	123.6 Å²	123.6	92%	0.923	70%	0.697	S	S	*	*			trans	-56.6	115.1	-169.1	-70.6	0	0	0	0	110.6	G4	S2-G4 PolarHBondContact O-N 3.03Å
3	A	50.7	Low	63.9	Low	87 Å²	87	122 Å²	122	72%	0.719	68%	0.681	S	S	*	*			trans	-46.6	135.5	170.8	0	0	0	0	0	109.4	M1 K5	M1-A3 PolarHBondContact O-N 2.99Å; A3-K5 PolarHBondContact O-N 3.28Å
4	G	53	Low	64.9	Low	71 Å²	71	123.1 Å²	123.1	73%	0.732	68%	0.678	S	S	*	*			trans	-46.6	109	171.6	0	0	0	0	0	108.2	S2 Q6	S2-G4 PolarHBondContact O-N 3.03Å; G4-Q6 PolarHBondContact O-N 3.4Å
5	K	59.9	Low	65.5	Low	187 Å²	187	119.3 Å²	119.3	81%	0.813	65%	0.654	S	S	*	*			trans	-62.3	107	179.9	-163.7	171.1	-176.2	-178.5	0	104.7	A3 V7	A3-K5 PolarHBondContact O-N 3.28Å; K5-V7 VanDerWaalsContact C-N 3.29Å; K5-V7 PolarHBondContact O-N 3.1Å
6	Q	58.8	Low	66.3	Low	186 Å²	186	116.9 Å²	116.9	87%	0.869	64%	0.639	S	S	*	*			trans	-63.9	100	175.3	-65.2	-155.7	-26.6	0	0	105.8	G4 D8	G4-Q6 PolarHBondContact O-N 3.4Å; Q6-D8 PolarHBondContact O-N 3.15Å
7	V	68.5	Low	67.1	Low	70 Å²	70	119 Å²	119	42%	0.424	64%	0.644	S	S	.	*			trans	-66.5	114.8	170.3	-179	0	0	0	0	104.6	K5 Q11 L12 M15	K5-V7 VanDerWaalsContact C-N 3.29Å; K5-V7 PolarHBondContact O-N 3.1Å; V7-Q11 HydrophobicContact CG1-CB 3.79Å; V7-L12 HydrophobicContact CG1-CB 4.03Å; V7-M15 HydrophobicContact CG1-CE 4.42Å
8	D	77.3	Confident	67.9	Low	99 Å²	99	116.5 Å²	116.5	53%	0.529	64%	0.637	S	S	.	*			trans	-67.4	152.6	175.7	-174.4	76.6	0	0	0	109.8	Q6 E10 Q11 L12	Q6-D8 PolarHBondContact O-N 3.15Å; D8-E10 PolarHBondContact O-N 3.05Å; D8-E10 VanDerWaalsContact O-N 3.1Å; D8-E10 PolarHBondContact OD2-N 2.71Å; D8-Q11 PolarHBondContact O-N 2.99Å; D8-L12 PolarHBondContact O-N 3.04Å
9	S	78.4	Confident	68.3	Low	92 Å²	92	113.5 Å²	113.5	64%	0.643	64%	0.635	S	S	*	*	H	α-helix	trans	-50.8	-38.5	-176.1	-42.9	0	0	0	0	112.5	L12 E13	S9-L12 WeakPolarHBondContact O-CB 3.18Å; S9-L12 PolarHBondContact O-N 3.27Å; S9-E13 PolarHBondContact O-N 3.35Å
10	E	79.8	Confident	68.8	Low	151 Å²	151	111.9 Å²	111.9	71%	0.706	63%	0.625	S	S	*	*	H	α-helix	trans	-66.3	-40.5	-179.5	-153.5	75.3	-171.8	0	0	112.1	D8 L12 E13 E14	D8-E10 PolarHBondContact O-N 3.05Å; D8-E10 VanDerWaalsContact O-N 3.1Å; D8-E10 PolarHBondContact OD2-N 2.71Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-E13 PolarHBondContact O-N 3.29Å; E10-E14 PolarHBondContact O-N 2.82Å
11	Q	74.9	Confident	69.1	Low	93 Å²	93	111 Å²	111	44%	0.435	62%	0.624	S	S	.	*	H	α-helix	trans	-70.9	-33.9	176.9	-68	-177.3	-32.6	0	0	111.5	V7 D8 M15	V7-Q11 HydrophobicContact CG1-CB 3.79Å; D8-Q11 PolarHBondContact O-N 2.99Å; Q11-M15 WeakPolarHBondContact O-CB 3.49Å; Q11-M15 WeakPolarHBondContact O-CG 3.48Å; Q11-M15 PolarHBondContact O-N 3.08Å; Q11-M15 VanDerWaalsContact O-N 3.08Å
12	L	75.2	Confident	71.2	Confident	75 Å²	75	101.7 Å²	101.7	39%	0.393	59%	0.586	S	S	.	*	H	α-helix	trans	-65.1	-42.8	174.6	-176.1	65.3	0	0	0	110.6	V7 D8 S9 E10 M15 I16 F24	V7-L12 HydrophobicContact CG1-CB 4.03Å; D8-L12 PolarHBondContact O-N 3.04Å; S9-L12 WeakPolarHBondContact O-CB 3.18Å; S9-L12 PolarHBondContact O-N 3.27Å; E10-L12 VanDerWaalsContact C-N 3.34Å; L12-M15 PolarHBondContact O-N 2.97Å; L12-I16 HydrophobicContact CG-CD1 4.22Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 3.23Å; L12-F24 HydrophobicContact CD1-CE1 4.09Å; L12-F24 HydrophobicContact CD1-CZ 4.17Å
13	E	77.4	Confident	72.8	Confident	103 Å²	103	98.6 Å²	98.6	48%	0.481	56%	0.558	S	S	.	*	H	α-helix	trans	-62.9	-47.4	176.4	-164.4	64.6	-141.9	0	0	111.3	S9 E10 M15 I16 E17	S9-E13 PolarHBondContact O-N 3.35Å; E10-E13 PolarHBondContact O-N 3.29Å; E13-M15 VanDerWaalsContact C-N 3.26Å; E13-M15 PolarHBondContact O-N 2.91Å; E13-I16 CarbonylContact O-C 3.59Å; E13-I16 WeakPolarHBondContact O-CA 3.32Å; E13-I16 WeakPolarHBondContact O-CB 3.49Å; E13-I16 PolarHBondContact O-N 2.86Å; E13-E17 PolarHBondContact O-N 3.31Å
14	E	77.9	Confident	74.1	Confident	138 Å²	138	99.2 Å²	99.2	65%	0.645	55%	0.545	S	S	*	.	H	α-helix	trans	-58.3	-38.6	176.7	-170.6	-178.3	-168.2	0	0	111.9	E10 S18	E10-E14 PolarHBondContact O-N 2.82Å; E14-S18 PolarHBondContact O-N 2.98Å
15	M	74.1	Confident	75.6	Confident	65 Å²	65	98.9 Å²	98.9	32%	0.32	53%	0.529	S	S	.	.	H	α-helix	trans	-67.1	-35.2	175.1	-72.2	179.9	-160.3	0	0	112.6	V7 Q11 L12 E13 S18 I23	V7-M15 HydrophobicContact CG1-CE 4.42Å; Q11-M15 WeakPolarHBondContact O-CB 3.49Å; Q11-M15 WeakPolarHBondContact O-CG 3.48Å; Q11-M15 PolarHBondContact O-N 3.08Å; Q11-M15 VanDerWaalsContact O-N 3.08Å; L12-M15 PolarHBondContact O-N 2.97Å; E13-M15 VanDerWaalsContact C-N 3.26Å; E13-M15 PolarHBondContact O-N 2.91Å; M15-S18 PolarHBondContact O-OG 3.13Å; M15-I23 HydrophobicContact CB-CD1 3.72Å; M15-I23 HydrophobicContact CG-CD1 3.81Å; M15-I23 HydrophobicContact SD-CD1 4.36Å; M15-I23 HydrophobicContact SD-CG2 3.89Å
16	I	77.4	Confident	76.7	Confident	81 Å²	81	95.5 Å²	95.5	42%	0.415	52%	0.516	S	S	.	.	H	α-helix	trans	-71.6	-46.6	175	-68	166.9	0	0	0	110.7	L12 E13 S18 G19 F24	L12-I16 HydrophobicContact CG-CD1 4.22Å; L12-I16 WeakPolarHBondContact O-CG1 3.46Å; L12-I16 PolarHBondContact O-N 3.23Å; E13-I16 CarbonylContact O-C 3.59Å; E13-I16 WeakPolarHBondContact O-CA 3.32Å; E13-I16 WeakPolarHBondContact O-CB 3.49Å; E13-I16 PolarHBondContact O-N 2.86Å; I16-S18 PolarHBondContact O-N 3.17Å; I16-G19 PolarHBondContact O-N 2.86Å; I16-F24 HydrophobicContact CD1-CZ 4.22Å; I16-F24 HydrophobicContact CG1-CE2 3.97Å; I16-F24 HydrophobicContact CG1-CZ 3.66Å
17	E	80.7	Confident	77.9	Confident	153 Å²	153	88.2 Å²	88.2	72%	0.715	49%	0.491	S	S	*	.	H	α-helix	trans	-59.9	-32.5	178.2	-76.4	-167.1	160.7	0	0	112.5	E13 G19	E13-E17 PolarHBondContact O-N 3.31Å; E17-G19 PolarHBondContact O-N 3.02Å
18	S	80.2	Confident	78.9	Confident	74 Å²	74	90 Å²	90	52%	0.517	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.8	174.7	81.1	0	0	0	0	113.5	E14 M15 I16 N20	E14-S18 PolarHBondContact O-N 2.98Å; M15-S18 PolarHBondContact O-OG 3.13Å; I16-S18 PolarHBondContact O-N 3.17Å; S18-N20 PolarHBondContact O-N 3.41Å; S18-N20 VanDerWaalsContact O-N 3.15Å; S18-N20 PolarHBondContact OG-N 3Å
19	G	76	Confident	79.4	Confident	59 Å²	59	90 Å²	90	61%	0.608	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	16.2	178.1	0	0	0	0	0	113.3	I16 E17 P21	I16-G19 PolarHBondContact O-N 2.86Å; E17-G19 PolarHBondContact O-N 3.02Å; G19-P21 WeakPolarHBondContact O-CD 3.05Å
20	N	78.7	Confident	80	Confident	82 Å²	82	88.8 Å²	88.8	44%	0.439	49%	0.485	S	S	.	.			trans	-97.3	94.8	-177.1	-172.1	3.4	0	0	0	111.4	S18 A22 I23	S18-N20 PolarHBondContact O-N 3.41Å; S18-N20 VanDerWaalsContact O-N 3.15Å; S18-N20 PolarHBondContact OG-N 3Å; N20-A22 PolarHBondContact O-N 3.49Å; N20-A22 WeakPolarHBondContact OD1-CB 3.04Å; N20-A22 PolarHBondContact OD1-N 3Å; N20-A22 VanDerWaalsContact OD1-N 3.13Å; N20-I23 PolarHBondContact O-N 3.43Å
21	P	75.2	Confident	80.5	Confident	93 Å²	93	86.5 Å²	86.5	60%	0.604	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.7	178.9	25.9	-35.3	0	0	0	113.2	G19 I23 F24 T25	G19-P21 WeakPolarHBondContact O-CD 3.05Å; P21-I23 PolarHBondContact O-N 2.71Å; P21-F24 PolarHBondContact O-N 2.98Å; P21-T25 WeakPolarHBondContact O-CG2 3.35Å; P21-T25 PolarHBondContact O-N 2.84Å; P21-T25 PolarHBondContact O-OG1 3.29Å
22	A	79.3	Confident	81.4	Confident	45 Å²	45	85.1 Å²	85.1	37%	0.372	48%	0.475	S	S	.	.	H	α-helix	trans	-56.4	-33.7	-179	0	0	0	0	0	112.9	N20 F24 T25 Q26	N20-A22 PolarHBondContact O-N 3.49Å; N20-A22 WeakPolarHBondContact OD1-CB 3.04Å; N20-A22 PolarHBondContact OD1-N 3Å; N20-A22 VanDerWaalsContact OD1-N 3.13Å; A22-F24 PolarHBondContact O-N 3.06Å; A22-T25 VanDerWaalsContact CA-OG1 3.25Å; A22-T25 WeakPolarHBondContact CA-OG1 3.25Å; A22-T25 PolarHBondContact O-N 3.48Å; A22-T25 PolarHBondContact O-OG1 3.48Å; A22-Q26 WeakPolarHBondContact O-CB 3.38Å; A22-Q26 PolarHBondContact O-N 3.46Å
23	I	75.3	Confident	82.2	Confident	66 Å²	66	87 Å²	87	34%	0.338	48%	0.482	S	S	.	.	H	α-helix	trans	-61.2	-48.4	-176	-59.7	173.7	0	0	0	111.1	M15 N20 P21	M15-I23 HydrophobicContact CB-CD1 3.72Å; M15-I23 HydrophobicContact CG-CD1 3.81Å; M15-I23 HydrophobicContact SD-CD1 4.36Å; M15-I23 HydrophobicContact SD-CG2 3.89Å; N20-I23 PolarHBondContact O-N 3.43Å; P21-I23 PolarHBondContact O-N 2.71Å
24	F	79.1	Confident	83	Confident	100 Å²	100	88.1 Å²	88.1	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-70.4	-40.4	176.6	-61.9	-76.4	0	0	0	111.8	L12 I16 P21 A22 Q26 G27 I28	L12-F24 HydrophobicContact CD1-CE1 4.09Å; L12-F24 HydrophobicContact CD1-CZ 4.17Å; I16-F24 HydrophobicContact CD1-CZ 4.22Å; I16-F24 HydrophobicContact CG1-CE2 3.97Å; I16-F24 HydrophobicContact CG1-CZ 3.66Å; P21-F24 PolarHBondContact O-N 2.98Å; A22-F24 PolarHBondContact O-N 3.06Å; F24-Q26 VanDerWaalsContact C-N 3.32Å; F24-Q26 PolarHBondContact O-N 3.21Å; F24-G27 PolarHBondContact O-N 3.37Å; F24-I28 WeakPolarHBondContact O-CG1 3.37Å; F24-I28 PolarHBondContact O-N 3.41Å
25	T	84.3	Confident	83.9	Confident	65 Å²	65	84.4 Å²	84.4	40%	0.399	48%	0.48	S	S	.	.	H	α-helix	trans	-65.6	-34.4	179.9	62.2	0	0	0	0	112.5	P21 A22 I28 I29	P21-T25 WeakPolarHBondContact O-CG2 3.35Å; P21-T25 PolarHBondContact O-N 2.84Å; P21-T25 PolarHBondContact O-OG1 3.29Å; A22-T25 VanDerWaalsContact CA-OG1 3.25Å; A22-T25 WeakPolarHBondContact CA-OG1 3.25Å; A22-T25 PolarHBondContact O-N 3.48Å; A22-T25 PolarHBondContact O-OG1 3.48Å; T25-I28 PolarHBondContact O-N 2.91Å; T25-I29 VanDerWaalsContact O-CB 3.31Å; T25-I29 WeakPolarHBondContact O-CB 3.35Å; T25-I29 WeakPolarHBondContact O-CD1 3.46Å; T25-I29 WeakPolarHBondContact O-CG1 3.31Å; T25-I29 PolarHBondContact O-N 3.46Å
26	Q	82.9	Confident	84.9	Confident	115 Å²	115	87.4 Å²	87.4	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-42.4	-179.4	-174.6	60.5	39.9	0	0	111.8	A22 F24 T30	A22-Q26 WeakPolarHBondContact O-CB 3.38Å; A22-Q26 PolarHBondContact O-N 3.46Å; F24-Q26 VanDerWaalsContact C-N 3.32Å; F24-Q26 PolarHBondContact O-N 3.21Å; Q26-T30 PolarHBondContact NE2-OG1 2.89Å; Q26-T30 WeakPolarHBondContact O-CB 3.5Å; Q26-T30 PolarHBondContact O-N 3.21Å; Q26-T30 PolarHBondContact O-OG1 2.86Å
27	G	83.4	Confident	85.8	Confident	34 Å²	34	88.5 Å²	88.5	35%	0.351	50%	0.495	S	S	.	.	H	α-helix	trans	-60.1	-52	173.7	0	0	0	0	0	111.1	F24 I29 T30 D31	F24-G27 PolarHBondContact O-N 3.37Å; G27-I29 VanDerWaalsContact C-N 3.35Å; G27-I29 PolarHBondContact O-N 2.87Å; G27-T30 PolarHBondContact O-N 3.37Å; G27-T30 VanDerWaalsContact O-N 3.16Å; G27-D31 WeakPolarHBondContact O-CB 3.15Å; G27-D31 PolarHBondContact O-N 2.89Å
28	I	88.7	Confident	86.6	Confident	108 Å²	108	84.5 Å²	84.5	55%	0.554	48%	0.481	S	S	*	.	H	α-helix	trans	-58.8	-44	178.9	-65.9	167.9	0	0	0	111.8	F24 T25 T32	F24-I28 WeakPolarHBondContact O-CG1 3.37Å; F24-I28 PolarHBondContact O-N 3.41Å; T25-I28 PolarHBondContact O-N 2.91Å; I28-T32 WeakPolarHBondContact O-CB 3.27Å; I28-T32 PolarHBondContact O-N 3.35Å; I28-T32 PolarHBondContact O-OG1 3.16Å
29	I	89.4	Confident	87.4	Confident	97 Å²	97	85.4 Å²	85.4	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-43.5	178.9	-71	163	0	0	0	110.3	T25 G27 T32 Q33	T25-I29 VanDerWaalsContact O-CB 3.31Å; T25-I29 WeakPolarHBondContact O-CB 3.35Å; T25-I29 WeakPolarHBondContact O-CD1 3.46Å; T25-I29 WeakPolarHBondContact O-CG1 3.31Å; T25-I29 PolarHBondContact O-N 3.46Å; G27-I29 VanDerWaalsContact C-N 3.35Å; G27-I29 PolarHBondContact O-N 2.87Å; I29-T32 PolarHBondContact O-N 3.48Å; I29-Q33 VanDerWaalsContact O-CB 3.27Å; I29-Q33 WeakPolarHBondContact O-CB 3.1Å; I29-Q33 PolarHBondContact O-N 2.81Å
30	T	89.4	Confident	88.4	Confident	67 Å²	67	84.8 Å²	84.8	41%	0.411	47%	0.468	S	S	.	.	H	α-helix	trans	-64.9	-48.7	179.8	-54.3	0	0	0	0	110.9	Q26 G27 T32 Q33 Q34	Q26-T30 PolarHBondContact NE2-OG1 2.89Å; Q26-T30 WeakPolarHBondContact O-CB 3.5Å; Q26-T30 PolarHBondContact O-N 3.21Å; Q26-T30 PolarHBondContact O-OG1 2.86Å; G27-T30 PolarHBondContact O-N 3.37Å; G27-T30 VanDerWaalsContact O-N 3.16Å; T30-T32 VanDerWaalsContact C-N 3.34Å; T30-T32 PolarHBondContact O-N 2.66Å; T30-Q33 PolarHBondContact O-N 2.93Å; T30-Q34 PolarHBondContact O-N 3.46Å
31	D	90.8	Very high	89.3	Confident	104 Å²	104	84.9 Å²	84.9	56%	0.556	47%	0.469	S	S	*	.	H	α-helix	trans	-62.7	-42.5	178.2	-68.7	-13.8	0	0	0	111.1	G27 Q33 Q34 A35	G27-D31 WeakPolarHBondContact O-CB 3.15Å; G27-D31 PolarHBondContact O-N 2.89Å; D31-Q33 VanDerWaalsContact C-N 3.33Å; D31-Q33 PolarHBondContact O-N 3Å; D31-Q34 PolarHBondContact O-N 3.38Å; D31-A35 WeakPolarHBondContact O-CB 3.33Å; D31-A35 PolarHBondContact O-N 3.46Å
32	T	93.4	Very high	90.4	Very high	63 Å²	63	85.2 Å²	85.2	39%	0.387	46%	0.464	S	S	.	.	H	α-helix	trans	-62.1	-41.7	175.6	-60.7	0	0	0	0	111.1	I28 I29 T30 A35 K36	I28-T32 WeakPolarHBondContact O-CB 3.27Å; I28-T32 PolarHBondContact O-N 3.35Å; I28-T32 PolarHBondContact O-OG1 3.16Å; I29-T32 PolarHBondContact O-N 3.48Å; T30-T32 VanDerWaalsContact C-N 3.34Å; T30-T32 PolarHBondContact O-N 2.66Å; T32-A35 PolarHBondContact O-N 3.19Å; T32-K36 HydrophobicContact CG2-CD 4.34Å; T32-K36 WeakPolarHBondContact O-CB 3.3Å; T32-K36 VanDerWaalsContact O-CG 3.3Å; T32-K36 WeakPolarHBondContact O-CG 3.46Å; T32-K36 PolarHBondContact O-N 2.85Å
33	Q	93.4	Very high	91.3	Very high	115 Å²	115	88.8 Å²	88.8	54%	0.537	47%	0.473	S	S	.	.	H	α-helix	trans	-67	-41.5	178.3	-173.7	63.2	14.1	0	0	111.4	I29 T30 D31 K36 Q37	I29-Q33 VanDerWaalsContact O-CB 3.27Å; I29-Q33 WeakPolarHBondContact O-CB 3.1Å; I29-Q33 PolarHBondContact O-N 2.81Å; T30-Q33 PolarHBondContact O-N 2.93Å; D31-Q33 VanDerWaalsContact C-N 3.33Å; D31-Q33 PolarHBondContact O-N 3Å; Q33-K36 PolarHBondContact O-N 3.34Å; Q33-Q37 PolarHBondContact O-N 3.46Å
34	Q	94.3	Very high	92.4	Very high	127 Å²	127	88.2 Å²	88.2	59%	0.593	48%	0.479	S	S	*	.	H	α-helix	trans	-64.3	-42.4	175.2	-176.7	179.3	-18.2	0	0	111.8	T30 D31 Q37 T38	T30-Q34 PolarHBondContact O-N 3.46Å; D31-Q34 PolarHBondContact O-N 3.38Å; Q34-Q37 PolarHBondContact O-N 2.85Å; Q34-T38 PolarHBondContact O-N 3.39Å; Q34-T38 PolarHBondContact O-OG1 3.17Å
35	A	94.7	Very high	93.3	Very high	59 Å²	59	92 Å²	92	49%	0.488	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-42.2	176	0	0	0	0	0	111.5	D31 T32 T38 L39	D31-A35 WeakPolarHBondContact O-CB 3.33Å; D31-A35 PolarHBondContact O-N 3.46Å; T32-A35 PolarHBondContact O-N 3.19Å; A35-T38 PolarHBondContact O-N 3.01Å; A35-L39 WeakPolarHBondContact O-CB 3.27Å; A35-L39 PolarHBondContact O-N 3.06Å
36	K	96.1	Very high	94	Very high	129 Å²	129	94 Å²	94	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-42.9	174.7	-77.3	175.8	178.4	-179.5	0	112.7	T32 Q33 L39 A40	T32-K36 HydrophobicContact CG2-CD 4.34Å; T32-K36 WeakPolarHBondContact O-CB 3.3Å; T32-K36 VanDerWaalsContact O-CG 3.3Å; T32-K36 WeakPolarHBondContact O-CG 3.46Å; T32-K36 PolarHBondContact O-N 2.85Å; Q33-K36 PolarHBondContact O-N 3.34Å; K36-L39 PolarHBondContact O-N 2.96Å; K36-A40 PolarHBondContact O-N 3.34Å
37	Q	96.7	Very high	94.7	Very high	104 Å²	104	92.7 Å²	92.7	49%	0.486	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-45.1	176.1	-175.8	60.4	46.3	0	0	111.2	Q33 Q34 L39 A40 D41	Q33-Q37 PolarHBondContact O-N 3.46Å; Q34-Q37 PolarHBondContact O-N 2.85Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 2.96Å; Q37-A40 PolarHBondContact O-N 3.33Å; Q37-D41 PolarHBondContact NE2-OD1 2.98Å; Q37-D41 VanDerWaalsContact O-CG 3.29Å; Q37-D41 PolarHBondContact O-N 3.19Å
38	T	96.4	Very high	95.4	Very high	69 Å²	69	95.7 Å²	95.7	42%	0.423	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-41.4	178.3	-54.4	0	0	0	0	111.3	Q34 A35 D41 I42	Q34-T38 PolarHBondContact O-N 3.39Å; Q34-T38 PolarHBondContact O-OG1 3.17Å; A35-T38 PolarHBondContact O-N 3.01Å; T38-D41 PolarHBondContact O-N 3.4Å; T38-I42 HydrophobicContact CG2-CD1 4.07Å; T38-I42 VanDerWaalsContact O-CG1 3.27Å; T38-I42 WeakPolarHBondContact O-CG1 3.34Å; T38-I42 PolarHBondContact O-N 2.95Å
39	L	97.6	Very high	95.9	Very high	93 Å²	93	95 Å²	95	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-45.3	175.3	179.7	61.2	0	0	0	111.6	A35 K36 Q37 D41 I42 E43	A35-L39 WeakPolarHBondContact O-CB 3.27Å; A35-L39 PolarHBondContact O-N 3.06Å; K36-L39 PolarHBondContact O-N 2.96Å; Q37-L39 VanDerWaalsContact C-N 3.3Å; Q37-L39 PolarHBondContact O-N 2.96Å; L39-D41 VanDerWaalsContact C-N 3.31Å; L39-D41 PolarHBondContact O-N 2.86Å; L39-I42 PolarHBondContact O-N 3.38Å; L39-I42 VanDerWaalsContact O-N 3.17Å; L39-E43 HydrophobicContact CD1-CG 4.35Å; L39-E43 WeakPolarHBondContact O-CG 3.42Å; L39-E43 PolarHBondContact O-N 3.4Å
40	A	97.3	Very high	96.3	Very high	45 Å²	45	93.8 Å²	93.8	37%	0.372	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-40.6	177.3	0	0	0	0	0	112.2	K36 Q37 E43 A44	K36-A40 PolarHBondContact O-N 3.34Å; Q37-A40 PolarHBondContact O-N 3.33Å; A40-E43 PolarHBondContact O-N 2.96Å; A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 3.4Å
41	D	97.7	Very high	96.7	Very high	85 Å²	85	96.4 Å²	96.4	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-39.2	176.2	-64.5	-15.2	0	0	0	111.5	Q37 T38 L39 R45	Q37-D41 PolarHBondContact NE2-OD1 2.98Å; Q37-D41 VanDerWaalsContact O-CG 3.29Å; Q37-D41 PolarHBondContact O-N 3.19Å; T38-D41 PolarHBondContact O-N 3.4Å; L39-D41 VanDerWaalsContact C-N 3.31Å; L39-D41 PolarHBondContact O-N 2.86Å; D41-R45 WeakPolarHBondContact O-CG 3.35Å; D41-R45 PolarHBondContact O-N 2.9Å
42	I	98.1	Very high	97.1	Very high	99 Å²	99	96.5 Å²	96.5	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-65.2	-44.6	175.1	-70.4	166.7	0	0	0	110.8	T38 L39 R45 H46	T38-I42 HydrophobicContact CG2-CD1 4.07Å; T38-I42 VanDerWaalsContact O-CG1 3.27Å; T38-I42 WeakPolarHBondContact O-CG1 3.34Å; T38-I42 PolarHBondContact O-N 2.95Å; L39-I42 PolarHBondContact O-N 3.38Å; L39-I42 VanDerWaalsContact O-N 3.17Å; I42-R45 PolarHBondContact O-N 3.34Å; I42-H46 WeakPolarHBondContact O-CB 3.45Å; I42-H46 PolarHBondContact O-N 3.09Å
43	E	98.2	Very high	97.3	Very high	120 Å²	120	96.8 Å²	96.8	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-62.4	-42.3	177.8	-75.2	-179.9	177.3	0	0	111.8	L39 A40 H46 N47	L39-E43 HydrophobicContact CD1-CG 4.35Å; L39-E43 WeakPolarHBondContact O-CG 3.42Å; L39-E43 PolarHBondContact O-N 3.4Å; A40-E43 PolarHBondContact O-N 2.96Å; E43-H46 PolarHBondContact O-N 3.21Å; E43-N47 PolarHBondContact O-N 3.4Å
44	A	98.2	Very high	97.5	Very high	55 Å²	55	94.7 Å²	94.7	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-60.6	-48.8	175.2	0	0	0	0	0	111.5	A40 H46 N47 D48	A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 3.4Å; A44-H46 VanDerWaalsContact C-N 3.31Å; A44-H46 PolarHBondContact O-N 2.99Å; A44-N47 WeakPolarHBondContact O-CB 3.45Å; A44-N47 PolarHBondContact O-N 3.31Å; A44-D48 PolarHBondContact O-N 2.84Å; A44-D48 VanDerWaalsContact O-N 3.09Å
45	R	98.1	Very high	97.7	Very high	179 Å²	179	92 Å²	92	68%	0.675	48%	0.484	S	S	*	.	H	α-helix	trans	-62.2	-38.5	176.4	-73	-177.8	68.9	-176.3	1	112.6	D41 I42 N47 D48 I49	D41-R45 WeakPolarHBondContact O-CG 3.35Å; D41-R45 PolarHBondContact O-N 2.9Å; I42-R45 PolarHBondContact O-N 3.34Å; R45-N47 VanDerWaalsContact C-N 3.33Å; R45-D48 PolarHBondContact O-N 2.99Å; R45-I49 VanDerWaalsContact O-CG1 3.31Å; R45-I49 WeakPolarHBondContact O-CG1 3.31Å; R45-I49 PolarHBondContact O-N 3.35Å
46	H	98.3	Very high	97.9	Very high	107 Å²	107	93.8 Å²	93.8	50%	0.495	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-43.9	176.7	178.7	66.4	0	0	0	110.9	I42 E43 A44 D48 I49 M50	I42-H46 WeakPolarHBondContact O-CB 3.45Å; I42-H46 PolarHBondContact O-N 3.09Å; E43-H46 PolarHBondContact O-N 3.21Å; A44-H46 VanDerWaalsContact C-N 3.31Å; A44-H46 PolarHBondContact O-N 2.99Å; H46-D48 VanDerWaalsContact C-N 3.33Å; H46-D48 PolarHBondContact O-N 3.18Å; H46-I49 PolarHBondContact O-N 3.26Å; H46-M50 WeakPolarHBondContact O-CG 3.31Å; H46-M50 PolarHBondContact O-N 3Å
47	N	98.3	Very high	98	Very high	88 Å²	88	93.7 Å²	93.7	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-42.2	176.6	-161	-37.9	0	0	0	111.9	E43 A44 R45 I49 M50 K51	E43-N47 PolarHBondContact O-N 3.4Å; A44-N47 WeakPolarHBondContact O-CB 3.45Å; A44-N47 PolarHBondContact O-N 3.31Å; R45-N47 VanDerWaalsContact C-N 3.33Å; N47-I49 VanDerWaalsContact C-N 3.35Å; N47-I49 PolarHBondContact O-N 2.91Å; N47-M50 PolarHBondContact O-N 2.83Å; N47-K51 WeakPolarHBondContact O-CG 3.46Å; N47-K51 PolarHBondContact O-N 3.47Å; N47-K51 VanDerWaalsContact OD1-CE 3.31Å; N47-K51 WeakPolarHBondContact OD1-CE 3.34Å
48	D	98.3	Very high	98.1	Very high	97 Å²	97	94.6 Å²	94.6	52%	0.519	49%	0.485	S	S	.	.	H	α-helix	trans	-63.8	-39	175.4	-68.7	-20.2	0	0	0	112.5	A44 R45 H46 K51 L52	A44-D48 PolarHBondContact O-N 2.84Å; A44-D48 VanDerWaalsContact O-N 3.09Å; R45-D48 PolarHBondContact O-N 2.99Å; H46-D48 VanDerWaalsContact C-N 3.33Å; H46-D48 PolarHBondContact O-N 3.18Å; D48-K51 PolarHBondContact O-N 2.97Å; D48-K51 IonicContact OD1-NZ 3.98Å; D48-L52 PolarHBondContact O-N 3.37Å
49	I	98.6	Very high	98.2	Very high	92 Å²	92	95.4 Å²	95.4	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-64.6	-42.1	174.5	-68.9	166	0	0	0	110.9	R45 H46 N47 K51 L52 E53	R45-I49 VanDerWaalsContact O-CG1 3.31Å; R45-I49 WeakPolarHBondContact O-CG1 3.31Å; R45-I49 PolarHBondContact O-N 3.35Å; H46-I49 PolarHBondContact O-N 3.26Å; N47-I49 VanDerWaalsContact C-N 3.35Å; N47-I49 PolarHBondContact O-N 2.91Å; I49-K51 VanDerWaalsContact C-N 3.32Å; I49-K51 PolarHBondContact O-N 2.91Å; I49-L52 PolarHBondContact O-N 3.28Å; I49-E53 VanDerWaalsContact O-CB 3.28Å; I49-E53 WeakPolarHBondContact O-CB 3.33Å; I49-E53 PolarHBondContact O-N 3.43Å
50	M	98.5	Very high	98.2	Very high	72 Å²	72	95.6 Å²	95.6	36%	0.355	49%	0.485	S	S	.	.	H	α-helix	trans	-63.6	-37.6	176.9	-66.6	-65.9	89.9	0	0	112.2	H46 N47 S54	H46-M50 WeakPolarHBondContact O-CG 3.31Å; H46-M50 PolarHBondContact O-N 3Å; N47-M50 PolarHBondContact O-N 2.83Å; M50-S54 PolarHBondContact O-N 3.27Å
51	K	98.2	Very high	98.2	Very high	122 Å²	122	97.7 Å²	97.7	53%	0.53	49%	0.49	S	S	.	.	H	α-helix	trans	-64.2	-47.3	172.5	-71	172.7	-173.4	161.6	0	111.7	N47 D48 I49 E53 S54 S55	N47-K51 WeakPolarHBondContact O-CG 3.46Å; N47-K51 PolarHBondContact O-N 3.47Å; N47-K51 VanDerWaalsContact OD1-CE 3.31Å; N47-K51 WeakPolarHBondContact OD1-CE 3.34Å; D48-K51 PolarHBondContact O-N 2.97Å; D48-K51 IonicContact OD1-NZ 3.98Å; I49-K51 VanDerWaalsContact C-N 3.32Å; I49-K51 PolarHBondContact O-N 2.91Å; K51-E53 VanDerWaalsContact C-N 3.31Å; K51-E53 PolarHBondContact O-N 3.49Å; K51-S54 WeakPolarHBondContact O-CB 3.28Å; K51-S54 PolarHBondContact O-N 3.44Å; K51-S55 PolarHBondContact O-N 2.94Å; K51-S55 PolarHBondContact O-OG 2.73Å
52	L	98.1	Very high	98.2	Very high	106 Å²	106	98.1 Å²	98.1	56%	0.555	49%	0.49	S	S	*	.	H	α-helix	trans	-59.2	-44.7	177	176.7	62.2	0	0	0	111.5	D48 I49 S54 S55 I56	D48-L52 PolarHBondContact O-N 3.37Å; I49-L52 PolarHBondContact O-N 3.28Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.32Å; L52-S55 PolarHBondContact O-N 3.2Å; L52-I56 HydrophobicContact CD1-CD1 4.16Å; L52-I56 HydrophobicContact CD1-CG1 4.38Å; L52-I56 HydrophobicContact CG-CD1 3.95Å; L52-I56 WeakPolarHBondContact O-CG1 3.42Å; L52-I56 PolarHBondContact O-N 2.62Å
53	E	98.4	Very high	98.2	Very high	70 Å²	70	99 Å²	99	33%	0.327	49%	0.491	S	S	.	.	H	α-helix	trans	-60.6	-42.6	177.2	-168.7	-157	-156.2	0	0	111.5	I49 K51 S55 I56 R57	I49-E53 VanDerWaalsContact O-CB 3.28Å; I49-E53 WeakPolarHBondContact O-CB 3.33Å; I49-E53 PolarHBondContact O-N 3.43Å; K51-E53 VanDerWaalsContact C-N 3.31Å; K51-E53 PolarHBondContact O-N 3.49Å; E53-S55 PolarHBondContact O-N 3.31Å; E53-I56 PolarHBondContact O-N 3.41Å; E53-R57 VanDerWaalsContact CG-NH1 3.26Å; E53-R57 WeakPolarHBondContact O-CG 3.46Å; E53-R57 PolarHBondContact O-N 3.47Å; E53-R57 IonicContact OE1-CZ 3.9Å; E53-R57 VanDerWaalsContact OE1-CZ 3.32Å; E53-R57 IonicContact OE1-NH1 2.84Å; E53-R57 PolarHBondContact OE1-NH1 3.01Å; E53-R57 IonicContact OE1-NH2 3.41Å; E53-R57 PolarHBondContact OE1-NH2 3.49Å; E53-R57 IonicContact OE2-CZ 2.62Å; E53-R57 IonicContact OE2-NH1 3.32Å; E53-R57 PolarHBondContact OE2-NH1 3.23Å; E53-R57 IonicContact OE2-NH2 2.73Å; E53-R57 PolarHBondContact OE2-NH2 2.97Å
54	S	98.3	Very high	98.2	Very high	70 Å²	70	97.7 Å²	97.7	49%	0.49	49%	0.486	S	S	.	.	H	α-helix	trans	-59.4	-44.4	173.2	-170.1	0	0	0	0	112.1	M50 K51 L52 I56 R57 E58	M50-S54 PolarHBondContact O-N 3.27Å; K51-S54 WeakPolarHBondContact O-CB 3.28Å; K51-S54 PolarHBondContact O-N 3.44Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.32Å; S54-I56 VanDerWaalsContact C-N 3.34Å; S54-I56 PolarHBondContact O-N 3Å; S54-R57 PolarHBondContact O-N 3.46Å; S54-E58 PolarHBondContact O-N 3.38Å
55	S	98.3	Very high	98.2	Very high	70 Å²	70	99.2 Å²	99.2	49%	0.49	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-36.4	176.9	-61.1	0	0	0	0	112.7	K51 L52 E53 E58 L59	K51-S55 PolarHBondContact O-N 2.94Å; K51-S55 PolarHBondContact O-OG 2.73Å; L52-S55 PolarHBondContact O-N 3.2Å; E53-S55 PolarHBondContact O-N 3.31Å; S55-E58 PolarHBondContact O-N 3.5Å; S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 PolarHBondContact O-N 3.12Å
56	I	98.4	Very high	98.1	Very high	98 Å²	98	95.5 Å²	95.5	50%	0.503	48%	0.477	S	S	.	.	H	α-helix	trans	-67.1	-38.6	175.2	-68.9	168.3	0	0	0	110.8	L52 E53 S54 L59 H60	L52-I56 HydrophobicContact CD1-CD1 4.16Å; L52-I56 HydrophobicContact CD1-CG1 4.38Å; L52-I56 HydrophobicContact CG-CD1 3.95Å; L52-I56 WeakPolarHBondContact O-CG1 3.42Å; L52-I56 PolarHBondContact O-N 2.62Å; E53-I56 PolarHBondContact O-N 3.41Å; S54-I56 VanDerWaalsContact C-N 3.34Å; S54-I56 PolarHBondContact O-N 3Å; I56-L59 PolarHBondContact O-N 2.86Å; I56-H60 WeakPolarHBondContact O-CB 3.22Å; I56-H60 PolarHBondContact O-N 3.36Å
57	R	98.4	Very high	98	Very high	127 Å²	127	93 Å²	93	48%	0.479	48%	0.476	S	S	.	.	H	α-helix	trans	-63.2	-46.7	174.6	-74.6	-170.6	-174.2	94.8	-0	112	E53 S54 L59 H60 D61	E53-R57 VanDerWaalsContact CG-NH1 3.26Å; E53-R57 WeakPolarHBondContact O-CG 3.46Å; E53-R57 PolarHBondContact O-N 3.47Å; E53-R57 IonicContact OE1-CZ 3.9Å; E53-R57 VanDerWaalsContact OE1-CZ 3.32Å; E53-R57 IonicContact OE1-NH1 2.84Å; E53-R57 PolarHBondContact OE1-NH1 3.01Å; E53-R57 IonicContact OE1-NH2 3.41Å; E53-R57 PolarHBondContact OE1-NH2 3.49Å; E53-R57 IonicContact OE2-CZ 2.62Å; E53-R57 IonicContact OE2-NH1 3.32Å; E53-R57 PolarHBondContact OE2-NH1 3.23Å; E53-R57 IonicContact OE2-NH2 2.73Å; E53-R57 PolarHBondContact OE2-NH2 2.97Å; S54-R57 PolarHBondContact O-N 3.46Å; R57-L59 VanDerWaalsContact C-N 3.28Å; R57-L59 PolarHBondContact O-N 3.04Å; R57-H60 WeakPolarHBondContact O-CB 3.4Å; R57-H60 PolarHBondContact O-N 2.98Å; R57-H60 VanDerWaalsContact O-N 3.12Å; R57-D61 VanDerWaalsContact O-CG 3.27Å; R57-D61 PolarHBondContact O-N 3.37Å
58	E	98.2	Very high	97.8	Very high	123 Å²	123	94.4 Å²	94.4	58%	0.575	48%	0.481	S	S	*	.	H	α-helix	trans	-58.8	-42.7	176	-174.9	179.1	-177.3	0	0	111.3	S54 S55 D61 M62	S54-E58 PolarHBondContact O-N 3.38Å; S55-E58 PolarHBondContact O-N 3.5Å; E58-D61 PolarHBondContact O-N 3.02Å; E58-M62 WeakPolarHBondContact O-CG 3.32Å; E58-M62 PolarHBondContact O-N 3.29Å
59	L	98.1	Very high	97.7	Very high	85 Å²	85	94.9 Å²	94.9	45%	0.445	48%	0.483	S	S	.	.	H	α-helix	trans	-61.7	-44.3	174.1	-177.7	62.1	0	0	0	112.4	S55 I56 R57 D61 M62 F63	S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 PolarHBondContact O-N 3.12Å; I56-L59 PolarHBondContact O-N 2.86Å; R57-L59 VanDerWaalsContact C-N 3.28Å; R57-L59 PolarHBondContact O-N 3.04Å; L59-D61 VanDerWaalsContact C-N 3.34Å; L59-M62 HydrophobicContact CB-CE 4.34Å; L59-M62 HydrophobicContact CD1-CE 3.82Å; L59-M62 PolarHBondContact O-N 3.35Å; L59-F63 HydrophobicContact CD1-CD2 4.08Å; L59-F63 HydrophobicContact CD1-CE2 3.7Å; L59-F63 HydrophobicContact CD2-CE2 4.37Å; L59-F63 HydrophobicContact CG-CD2 4.02Å; L59-F63 HydrophobicContact CG-CE2 3.84Å; L59-F63 VanDerWaalsContact O-CD2 3.22Å; L59-F63 WeakPolarHBondContact O-CD2 3.42Å; L59-F63 PolarHBondContact O-N 2.85Å
60	H	97.5	Very high	97.5	Very high	98 Å²	98	95.4 Å²	95.4	45%	0.454	49%	0.49	S	S	.	.	H	α-helix	trans	-59.9	-44.7	176.3	172.6	-82.8	0	0	0	111.6	I56 R57 M62 F63 M64	I56-H60 WeakPolarHBondContact O-CB 3.22Å; I56-H60 PolarHBondContact O-N 3.36Å; R57-H60 WeakPolarHBondContact O-CB 3.4Å; R57-H60 PolarHBondContact O-N 2.98Å; R57-H60 VanDerWaalsContact O-N 3.12Å; H60-M62 VanDerWaalsContact C-N 3.35Å; H60-M62 PolarHBondContact O-N 2.93Å; H60-F63 WeakPolarHBondContact O-CB 3.42Å; H60-F63 PolarHBondContact O-N 3.1Å; H60-F63 VanDerWaalsContact O-N 3.1Å; H60-M64 WeakPolarHBondContact O-CG 3.38Å; H60-M64 PolarHBondContact O-N 2.85Å
61	D	98.3	Very high	97.2	Very high	89 Å²	89	99.6 Å²	99.6	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-40.8	178.9	-66	-12.4	0	0	0	110.8	R57 E58 L59 F63 M64 D65	R57-D61 VanDerWaalsContact O-CG 3.27Å; R57-D61 PolarHBondContact O-N 3.37Å; E58-D61 PolarHBondContact O-N 3.02Å; L59-D61 VanDerWaalsContact C-N 3.34Å; D61-F63 VanDerWaalsContact C-N 3.3Å; D61-F63 PolarHBondContact O-N 2.98Å; D61-M64 PolarHBondContact O-N 2.94Å; D61-M64 VanDerWaalsContact O-N 3.14Å; D61-D65 PolarHBondContact O-N 3.14Å
62	M	97.8	Very high	96.8	Very high	93 Å²	93	97.9 Å²	97.9	46%	0.458	51%	0.512	S	S	.	.	H	α-helix	trans	-58.7	-39.2	171.2	-72.2	-170.4	-70.1	0	0	112.6	E58 L59 H60 M66	E58-M62 WeakPolarHBondContact O-CG 3.32Å; E58-M62 PolarHBondContact O-N 3.29Å; L59-M62 HydrophobicContact CB-CE 4.34Å; L59-M62 HydrophobicContact CD1-CE 3.82Å; L59-M62 PolarHBondContact O-N 3.35Å; H60-M62 VanDerWaalsContact C-N 3.35Å; H60-M62 PolarHBondContact O-N 2.93Å; M62-M66 WeakPolarHBondContact O-CB 3.39Å; M62-M66 WeakPolarHBondContact O-CG 3.3Å; M62-M66 PolarHBondContact O-N 3.34Å
63	F	97.9	Very high	96.4	Very high	119 Å²	119	98 Å²	98	52%	0.522	51%	0.51	S	S	.	.	H	α-helix	trans	-66.7	-39.7	174.9	-86.7	-73	0	0	0	112.6	L59 H60 D61 M66 A67	L59-F63 HydrophobicContact CD1-CD2 4.08Å; L59-F63 HydrophobicContact CD1-CE2 3.7Å; L59-F63 HydrophobicContact CD2-CE2 4.37Å; L59-F63 HydrophobicContact CG-CD2 4.02Å; L59-F63 HydrophobicContact CG-CE2 3.84Å; L59-F63 VanDerWaalsContact O-CD2 3.22Å; L59-F63 WeakPolarHBondContact O-CD2 3.42Å; L59-F63 PolarHBondContact O-N 2.85Å; H60-F63 WeakPolarHBondContact O-CB 3.42Å; H60-F63 PolarHBondContact O-N 3.1Å; H60-F63 VanDerWaalsContact O-N 3.1Å; D61-F63 VanDerWaalsContact C-N 3.3Å; D61-F63 PolarHBondContact O-N 2.98Å; F63-M66 HydrophobicContact CD1-CE 3.65Å; F63-M66 HydrophobicContact CE1-CE 3.95Å; F63-M66 HydrophobicContact CG-CE 4.11Å; F63-M66 PolarHBondContact O-N 2.9Å; F63-A67 WeakPolarHBondContact O-CB 3.46Å; F63-A67 PolarHBondContact O-N 3.49Å
64	M	97.7	Very high	96	Very high	92 Å²	92	96 Å²	96	45%	0.453	51%	0.507	S	S	.	.	H	α-helix	trans	-66	-42.5	176.2	-66.5	-60	124.1	0	0	111.5	H60 D61 A67 M68	H60-M64 WeakPolarHBondContact O-CG 3.38Å; H60-M64 PolarHBondContact O-N 2.85Å; D61-M64 PolarHBondContact O-N 2.94Å; D61-M64 VanDerWaalsContact O-N 3.14Å; M64-A67 PolarHBondContact O-N 2.91Å; M64-M68 WeakPolarHBondContact O-CG 3.42Å; M64-M68 PolarHBondContact O-N 3.23Å
65	D	97.8	Very high	95.5	Very high	87 Å²	87	98.7 Å²	98.7	47%	0.465	51%	0.512	S	S	.	.	H	α-helix	trans	-62.4	-44	175.6	-74.9	-13.8	0	0	0	111.5	D61 A67 M68 L69	D61-D65 PolarHBondContact O-N 3.14Å; D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact O-N 3.35Å; D65-M68 PolarHBondContact O-N 2.97Å; D65-M68 VanDerWaalsContact OD1-CE 3.3Å; D65-M68 WeakPolarHBondContact OD1-CE 3.42Å; D65-L69 WeakPolarHBondContact O-CB 3.34Å; D65-L69 VanDerWaalsContact O-CG 3.27Å; D65-L69 WeakPolarHBondContact O-CG 3.27Å; D65-L69 PolarHBondContact O-N 3.47Å
66	M	96.5	Very high	95	Very high	100 Å²	100	100.5 Å²	100.5	49%	0.493	51%	0.514	S	S	.	.	H	α-helix	trans	-61.5	-42	174	-76	-170.8	-63.2	0	0	112	M62 F63 L69 V70	M62-M66 WeakPolarHBondContact O-CB 3.39Å; M62-M66 WeakPolarHBondContact O-CG 3.3Å; M62-M66 PolarHBondContact O-N 3.34Å; F63-M66 HydrophobicContact CD1-CE 3.65Å; F63-M66 HydrophobicContact CE1-CE 3.95Å; F63-M66 HydrophobicContact CG-CE 4.11Å; F63-M66 PolarHBondContact O-N 2.9Å; M66-L69 PolarHBondContact O-N 3.37Å; M66-V70 WeakPolarHBondContact O-CG2 3.28Å; M66-V70 PolarHBondContact O-N 3.47Å
67	A	96.1	Very high	94.6	Very high	56 Å²	56	100.6 Å²	100.6	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-46.3	177.4	0	0	0	0	0	111.2	F63 M64 D65 L69 V70 E71	F63-A67 WeakPolarHBondContact O-CB 3.46Å; F63-A67 PolarHBondContact O-N 3.49Å; M64-A67 PolarHBondContact O-N 2.91Å; D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact O-N 3.35Å; A67-L69 PolarHBondContact O-N 2.96Å; A67-V70 PolarHBondContact O-N 2.93Å; A67-E71 WeakPolarHBondContact O-CB 3.39Å; A67-E71 PolarHBondContact O-N 3.32Å
68	M	95.5	Very high	94.3	Very high	117 Å²	117	99.1 Å²	99.1	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-62.2	-41	175.7	-71.7	-168.2	-63.4	0	0	112.7	M64 D65 E71 S72	M64-M68 WeakPolarHBondContact O-CG 3.42Å; M64-M68 PolarHBondContact O-N 3.23Å; D65-M68 PolarHBondContact O-N 2.97Å; D65-M68 VanDerWaalsContact OD1-CE 3.3Å; D65-M68 WeakPolarHBondContact OD1-CE 3.42Å; M68-E71 PolarHBondContact O-N 3.06Å; M68-S72 WeakPolarHBondContact O-CB 3.42Å; M68-S72 PolarHBondContact O-N 3.08Å
69	L	94.4	Very high	94.1	Very high	107 Å²	107	99.5 Å²	99.5	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-65.3	-38.1	177.6	-75.3	172.8	0	0	0	112.3	D65 M66 A67 Q73	D65-L69 WeakPolarHBondContact O-CB 3.34Å; D65-L69 VanDerWaalsContact O-CG 3.27Å; D65-L69 WeakPolarHBondContact O-CG 3.27Å; D65-L69 PolarHBondContact O-N 3.47Å; M66-L69 PolarHBondContact O-N 3.37Å; A67-L69 PolarHBondContact O-N 2.96Å; L69-Q73 WeakPolarHBondContact O-CB 3.45Å; L69-Q73 VanDerWaalsContact O-CG 3.28Å; L69-Q73 WeakPolarHBondContact O-CG 3.32Å; L69-Q73 PolarHBondContact O-N 3.15Å; L69-Q73 VanDerWaalsContact O-N 3.15Å; L69-Q73 PolarHBondContact O-NE2 3.45Å
70	V	94.4	Very high	93.8	Very high	103 Å²	103	100 Å²	100	62%	0.624	52%	0.515	S	S	*	.	H	α-helix	trans	-69.6	-45.7	176.2	170.5	0	0	0	0	110.7	M66 A67 S72 Q73 G74	M66-V70 WeakPolarHBondContact O-CG2 3.28Å; M66-V70 PolarHBondContact O-N 3.47Å; A67-V70 PolarHBondContact O-N 2.93Å; V70-S72 PolarHBondContact O-N 3.47Å; V70-Q73 PolarHBondContact O-N 3.3Å; V70-G74 PolarHBondContact O-N 2.91Å; V70-G74 VanDerWaalsContact O-N 3.08Å
71	E	92.2	Very high	93.7	Very high	160 Å²	160	101.2 Å²	101.2	75%	0.748	52%	0.521	S	S	*	.	H	α-helix	trans	-55.9	-49.6	175.5	-170.9	94.4	-158.4	0	0	110.8	A67 M68 Q73 G74	A67-E71 WeakPolarHBondContact O-CB 3.39Å; A67-E71 PolarHBondContact O-N 3.32Å; M68-E71 PolarHBondContact O-N 3.06Å; E71-Q73 VanDerWaalsContact C-N 3.27Å; E71-Q73 PolarHBondContact O-N 3.18Å; E71-G74 PolarHBondContact O-N 3.47Å
72	S	90	Very high	93.6	Very high	86 Å²	86	103.7 Å²	103.7	60%	0.601	52%	0.524	S	S	*	.	H	α-helix	trans	-63.7	-31.1	179.5	177.9	0	0	0	0	113.2	M68 V70	M68-S72 WeakPolarHBondContact O-CB 3.42Å; M68-S72 PolarHBondContact O-N 3.08Å; V70-S72 PolarHBondContact O-N 3.47Å
73	Q	90.5	Very high	93.5	Very high	109 Å²	109	104 Å²	104	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-76.8	-22.6	175.8	-77.5	173.8	82.6	0	0	112.7	L69 V70 E71 E75 M76 I77	L69-Q73 WeakPolarHBondContact O-CB 3.45Å; L69-Q73 VanDerWaalsContact O-CG 3.28Å; L69-Q73 WeakPolarHBondContact O-CG 3.32Å; L69-Q73 PolarHBondContact O-N 3.15Å; L69-Q73 VanDerWaalsContact O-N 3.15Å; L69-Q73 PolarHBondContact O-NE2 3.45Å; V70-Q73 PolarHBondContact O-N 3.3Å; E71-Q73 VanDerWaalsContact C-N 3.27Å; E71-Q73 PolarHBondContact O-N 3.18Å; Q73-E75 PolarHBondContact O-N 2.8Å; Q73-M76 PolarHBondContact O-N 2.92Å; Q73-I77 WeakPolarHBondContact O-CG1 3.49Å; Q73-I77 PolarHBondContact O-N 3.08Å
74	G	89.1	Confident	93.5	Very high	26 Å²	26	102.8 Å²	102.8	27%	0.268	53%	0.53	S	S	.	.	H	α-helix	trans	-54.1	-52	175.9	0	0	0	0	0	112.3	V70 E71 M76 I77 D78	V70-G74 PolarHBondContact O-N 2.91Å; V70-G74 VanDerWaalsContact O-N 3.08Å; E71-G74 PolarHBondContact O-N 3.47Å; G74-M76 VanDerWaalsContact C-N 3.25Å; G74-M76 PolarHBondContact O-N 3.47Å; G74-I77 WeakPolarHBondContact O-CB 3.39Å; G74-I77 PolarHBondContact O-N 3.03Å; G74-I77 VanDerWaalsContact O-N 3.08Å; G74-D78 VanDerWaalsContact O-CG 3.28Å; G74-D78 PolarHBondContact O-N 3.21Å
75	E	87.8	Confident	93.4	Very high	128 Å²	128	103.9 Å²	103.9	60%	0.598	53%	0.534	S	S	*	.	H	α-helix	trans	-61.9	-31.9	179.4	-62.6	-172	170.8	0	0	113.7	Q73 R79	Q73-E75 PolarHBondContact O-N 2.8Å; E75-R79 WeakPolarHBondContact O-CG 3.23Å; E75-R79 PolarHBondContact O-N 3.18Å; E75-R79 PolarHBondContact O-NH1 3.4Å; E75-R79 IonicContact OE2-NH1 3.31Å
76	M	87.7	Confident	93.3	Very high	107 Å²	107	102.4 Å²	102.4	53%	0.527	52%	0.524	S	S	.	.	H	α-helix	trans	-70.4	-41.6	177	-174.4	179.5	-62.5	0	0	110.7	Q73 G74 R79 I80	Q73-M76 PolarHBondContact O-N 2.92Å; G74-M76 VanDerWaalsContact C-N 3.25Å; G74-M76 PolarHBondContact O-N 3.47Å; M76-R79 PolarHBondContact O-N 3.03Å; M76-I80 HydrophobicContact CG-CD1 4.26Å; M76-I80 WeakPolarHBondContact O-CG1 3.45Å; M76-I80 PolarHBondContact O-N 3.31Å; M76-I80 VanDerWaalsContact O-N 3.09Å
77	I	91.6	Very high	93.4	Very high	100 Å²	100	100.2 Å²	100.2	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-43.8	175.9	-68.2	168.8	0	0	0	109.9	Q73 G74 R79 I80 E81	Q73-I77 WeakPolarHBondContact O-CG1 3.49Å; Q73-I77 PolarHBondContact O-N 3.08Å; G74-I77 WeakPolarHBondContact O-CB 3.39Å; G74-I77 PolarHBondContact O-N 3.03Å; G74-I77 VanDerWaalsContact O-N 3.08Å; I77-R79 VanDerWaalsContact C-N 3.3Å; I77-R79 PolarHBondContact O-N 3.09Å; I77-I80 CarbonylContact O-C 3.6Å; I77-I80 WeakPolarHBondContact O-CA 3.46Å; I77-I80 WeakPolarHBondContact O-CB 3.49Å; I77-I80 PolarHBondContact O-N 3.38Å; I77-E81 WeakPolarHBondContact O-CB 3.48Å; I77-E81 PolarHBondContact O-N 3.23Å
78	D	92.2	Very high	93.4	Very high	96 Å²	96	103.3 Å²	103.3	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-58.7	-41	178	-64.6	-15.3	0	0	0	112	G74 E81 Y82	G74-D78 VanDerWaalsContact O-CG 3.28Å; G74-D78 PolarHBondContact O-N 3.21Å; D78-E81 PolarHBondContact O-N 2.88Å; D78-Y82 VanDerWaalsContact O-CB 3.27Å; D78-Y82 WeakPolarHBondContact O-CB 3.38Å; D78-Y82 PolarHBondContact O-N 3.27Å
79	R	92.8	Very high	93.5	Very high	131 Å²	131	100.4 Å²	100.4	49%	0.494	51%	0.512	S	S	.	.	H	α-helix	trans	-67.4	-36.9	175.2	-71.4	-170.7	-61.7	-91.3	3.6	112.6	E75 M76 I77 N83	E75-R79 WeakPolarHBondContact O-CG 3.23Å; E75-R79 PolarHBondContact O-N 3.18Å; E75-R79 PolarHBondContact O-NH1 3.4Å; E75-R79 IonicContact OE2-NH1 3.31Å; M76-R79 PolarHBondContact O-N 3.03Å; I77-R79 VanDerWaalsContact C-N 3.3Å; I77-R79 PolarHBondContact O-N 3.09Å; R79-N83 WeakPolarHBondContact O-CB 3.36Å; R79-N83 VanDerWaalsContact O-CG 3.26Å; R79-N83 PolarHBondContact O-N 3.36Å; R79-N83 VanDerWaalsContact O-N 3.09Å; R79-N83 PolarHBondContact O-ND2 3.47Å
80	I	93.3	Very high	93.6	Very high	97 Å²	97	102.8 Å²	102.8	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-66.5	-48	175.8	-69.3	166.9	0	0	0	109.3	M76 I77 Y82 N83 V84	M76-I80 HydrophobicContact CG-CD1 4.26Å; M76-I80 WeakPolarHBondContact O-CG1 3.45Å; M76-I80 PolarHBondContact O-N 3.31Å; M76-I80 VanDerWaalsContact O-N 3.09Å; I77-I80 CarbonylContact O-C 3.6Å; I77-I80 WeakPolarHBondContact O-CA 3.46Å; I77-I80 WeakPolarHBondContact O-CB 3.49Å; I77-I80 PolarHBondContact O-N 3.38Å; I80-Y82 PolarHBondContact O-N 2.95Å; I80-N83 PolarHBondContact O-N 3.48Å; I80-V84 HydrophobicContact CG2-CG2 4.15Å; I80-V84 WeakPolarHBondContact O-CB 3.44Å; I80-V84 VanDerWaalsContact O-CG2 3.23Å; I80-V84 WeakPolarHBondContact O-CG2 3.36Å; I80-V84 PolarHBondContact O-N 3.24Å
81	E	95.2	Very high	93.8	Very high	123 Å²	123	102 Å²	102	58%	0.575	51%	0.51	S	S	*	.	H	α-helix	trans	-55.6	-51.9	177.1	-177.6	170.8	-158.2	0	0	110.8	I77 D78 N83 V84 E85	I77-E81 WeakPolarHBondContact O-CB 3.48Å; I77-E81 PolarHBondContact O-N 3.23Å; D78-E81 PolarHBondContact O-N 2.88Å; E81-N83 PolarHBondContact O-N 3.05Å; E81-V84 PolarHBondContact O-N 3.38Å; E81-E85 WeakPolarHBondContact O-CB 3.49Å; E81-E85 PolarHBondContact O-N 2.94Å
82	Y	95.8	Very high	94.1	Very high	140 Å²	140	98.2 Å²	98.2	55%	0.549	50%	0.495	S	S	.	.	H	α-helix	trans	-54.3	-48.2	176.6	178.3	-97.7	0	0	0	113	D78 I80 H86	D78-Y82 VanDerWaalsContact O-CB 3.27Å; D78-Y82 WeakPolarHBondContact O-CB 3.38Å; D78-Y82 PolarHBondContact O-N 3.27Å; I80-Y82 PolarHBondContact O-N 2.95Å; Y82-H86 AromaticContact CD1-CD2 3.78Å; Y82-H86 AromaticContact CD2-CD2 3.74Å; Y82-H86 AromaticContact CD2-NE2 3.59Å; Y82-H86 AromaticContact CE1-CD2 3.41Å; Y82-H86 VanDerWaalsContact CE1-CD2 3.41Å; Y82-H86 WeakPolarHBondContact CE1-CD2 3.32Å; Y82-H86 AromaticContact CE1-NE2 3.79Å; Y82-H86 AromaticContact CE2-CD2 3.37Å; Y82-H86 WeakPolarHBondContact CE2-CD2 3.27Å; Y82-H86 AromaticContact CE2-NE2 2.9Å; Y82-H86 WeakPolarHBondContact CE2-NE2 3.26Å; Y82-H86 AromaticContact CG-CD2 3.93Å; Y82-H86 AromaticContact CZ-CD2 3.17Å; Y82-H86 AromaticContact CZ-NE2 3Å; Y82-H86 WeakPolarHBondContact O-CB 3.41Å; Y82-H86 PolarHBondContact O-CD2 3.09Å; Y82-H86 PolarHBondContact O-N 3.22Å; Y82-H86 PolarHBondContact OH-NE2 2.91Å; Y82-H86 VanDerWaalsContact OH-NE2 3.09Å
83	N	95.2	Very high	94.4	Very high	100 Å²	100	101.3 Å²	101.3	54%	0.535	49%	0.493	S	S	.	.	H	α-helix	trans	-69	-38.2	-179	-74.3	-33.1	0	0	0	112.4	R79 I80 E81 A87	R79-N83 WeakPolarHBondContact O-CB 3.36Å; R79-N83 VanDerWaalsContact O-CG 3.26Å; R79-N83 PolarHBondContact O-N 3.36Å; R79-N83 VanDerWaalsContact O-N 3.09Å; R79-N83 PolarHBondContact O-ND2 3.47Å; I80-N83 PolarHBondContact O-N 3.48Å; E81-N83 PolarHBondContact O-N 3.05Å; N83-A87 VanDerWaalsContact O-CB 3.26Å; N83-A87 WeakPolarHBondContact O-CB 3.47Å; N83-A87 PolarHBondContact O-N 3.38Å
84	V	97.1	Very high	94.8	Very high	93 Å²	93	98.6 Å²	98.6	56%	0.564	49%	0.489	S	S	*	.	H	α-helix	trans	-68.5	-42.5	178	169.9	0	0	0	0	110.8	I80 E81 A87 K88	I80-V84 HydrophobicContact CG2-CG2 4.15Å; I80-V84 WeakPolarHBondContact O-CB 3.44Å; I80-V84 VanDerWaalsContact O-CG2 3.23Å; I80-V84 WeakPolarHBondContact O-CG2 3.36Å; I80-V84 PolarHBondContact O-N 3.24Å; E81-V84 PolarHBondContact O-N 3.38Å; V84-A87 PolarHBondContact O-N 2.84Å; V84-K88 WeakPolarHBondContact O-CB 3.36Å; V84-K88 PolarHBondContact O-N 3.02Å
85	E	97	Very high	95.2	Very high	115 Å²	115	101.7 Å²	101.7	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-61.1	-47.4	175.5	-174.5	176.4	-159.8	0	0	111	E81 K88 D89	E81-E85 WeakPolarHBondContact O-CB 3.49Å; E81-E85 PolarHBondContact O-N 2.94Å; E85-K88 WeakPolarHBondContact O-CB 3.29Å; E85-K88 PolarHBondContact O-N 3.4Å; E85-D89 PolarHBondContact O-N 2.85Å
86	H	96.2	Very high	95.7	Very high	57 Å²	57	98.1 Å²	98.1	26%	0.264	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-39.9	176.7	-78	-44.8	0	0	0	113.5	Y82 K88 D89 Y90	Y82-H86 AromaticContact CD1-CD2 3.78Å; Y82-H86 AromaticContact CD2-CD2 3.74Å; Y82-H86 AromaticContact CD2-NE2 3.59Å; Y82-H86 AromaticContact CE1-CD2 3.41Å; Y82-H86 VanDerWaalsContact CE1-CD2 3.41Å; Y82-H86 WeakPolarHBondContact CE1-CD2 3.32Å; Y82-H86 AromaticContact CE1-NE2 3.79Å; Y82-H86 AromaticContact CE2-CD2 3.37Å; Y82-H86 WeakPolarHBondContact CE2-CD2 3.27Å; Y82-H86 AromaticContact CE2-NE2 2.9Å; Y82-H86 WeakPolarHBondContact CE2-NE2 3.26Å; Y82-H86 AromaticContact CG-CD2 3.93Å; Y82-H86 AromaticContact CZ-CD2 3.17Å; Y82-H86 AromaticContact CZ-NE2 3Å; Y82-H86 WeakPolarHBondContact O-CB 3.41Å; Y82-H86 PolarHBondContact O-CD2 3.09Å; Y82-H86 PolarHBondContact O-N 3.22Å; Y82-H86 PolarHBondContact OH-NE2 2.91Å; Y82-H86 VanDerWaalsContact OH-NE2 3.09Å; H86-K88 VanDerWaalsContact C-N 3.25Å; H86-K88 PolarHBondContact O-N 2.89Å; H86-D89 WeakPolarHBondContact O-CB 3.48Å; H86-D89 PolarHBondContact O-N 3.37Å; H86-Y90 HydrophobicContact CB-CD2 4.45Å; H86-Y90 HydrophobicContact CB-CE2 4.23Å; H86-Y90 WeakPolarHBondContact O-CD2 3.27Å; H86-Y90 PolarHBondContact O-N 3.01Å
87	A	97.2	Very high	96.2	Very high	53 Å²	53	97.5 Å²	97.5	44%	0.438	49%	0.491	S	S	.	.	H	α-helix	trans	-58	-42.4	173.8	0	0	0	0	0	110.9	N83 V84 Y90 V91	N83-A87 VanDerWaalsContact O-CB 3.26Å; N83-A87 WeakPolarHBondContact O-CB 3.47Å; N83-A87 PolarHBondContact O-N 3.38Å; V84-A87 PolarHBondContact O-N 2.84Å; A87-Y90 PolarHBondContact O-N 3.22Å; A87-V91 VanDerWaalsContact O-CG2 3.27Å; A87-V91 WeakPolarHBondContact O-CG2 3.37Å; A87-V91 PolarHBondContact O-N 2.99Å
88	K	97.3	Very high	96.4	Very high	121 Å²	121	96.9 Å²	96.9	53%	0.526	49%	0.492	S	S	.	.	H	α-helix	trans	-59.9	-48.1	173.5	173.5	178.4	165.2	44.5	0	111.7	V84 E85 H86 Y90 V91 D92	V84-K88 WeakPolarHBondContact O-CB 3.36Å; V84-K88 PolarHBondContact O-N 3.02Å; E85-K88 WeakPolarHBondContact O-CB 3.29Å; E85-K88 PolarHBondContact O-N 3.4Å; H86-K88 VanDerWaalsContact C-N 3.25Å; H86-K88 PolarHBondContact O-N 2.89Å; K88-Y90 VanDerWaalsContact C-N 3.34Å; K88-Y90 PolarHBondContact O-N 3.18Å; K88-V91 PolarHBondContact O-N 3.46Å; K88-D92 IonicContact NZ-OD1 3.68Å; K88-D92 IonicContact NZ-OD2 3.99Å; K88-D92 PolarHBondContact NZ-OD2 2.89Å; K88-D92 PolarHBondContact O-N 3.18Å
89	D	97.3	Very high	96.7	Very high	57 Å²	57	99 Å²	99	31%	0.305	50%	0.497	S	S	.	.	H	α-helix	trans	-58.7	-43.2	177.4	-86.8	-1.9	0	0	0	112.7	E85 H86 D92 R93	E85-D89 PolarHBondContact O-N 2.85Å; H86-D89 WeakPolarHBondContact O-CB 3.48Å; H86-D89 PolarHBondContact O-N 3.37Å; D89-D92 PolarHBondContact O-N 3.19Å; D89-R93 WeakPolarHBondContact O-CB 2.99Å; D89-R93 VanDerWaalsContact O-CG 3.29Å; D89-R93 WeakPolarHBondContact O-CG 3.41Å; D89-R93 PolarHBondContact O-N 3.18Å
90	Y	96.7	Very high	97	Very high	156 Å²	156	97.1 Å²	97.1	61%	0.612	49%	0.492	S	S	*	.	H	α-helix	trans	-63.7	-41.6	176.4	-75.2	-60.7	0	0	0	111.7	H86 A87 K88 A94	H86-Y90 HydrophobicContact CB-CD2 4.45Å; H86-Y90 HydrophobicContact CB-CE2 4.23Å; H86-Y90 WeakPolarHBondContact O-CD2 3.27Å; H86-Y90 PolarHBondContact O-N 3.01Å; A87-Y90 PolarHBondContact O-N 3.22Å; K88-Y90 VanDerWaalsContact C-N 3.34Å; K88-Y90 PolarHBondContact O-N 3.18Å; Y90-A94 VanDerWaalsContact O-CB 3.27Å; Y90-A94 WeakPolarHBondContact O-CB 3.42Å; Y90-A94 PolarHBondContact O-N 2.93Å
91	V	97.9	Very high	97.2	Very high	87 Å²	87	95.3 Å²	95.3	53%	0.527	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-46.9	176.4	169.9	0	0	0	0	110.9	A87 K88 R93 A94 V95	A87-V91 VanDerWaalsContact O-CG2 3.27Å; A87-V91 WeakPolarHBondContact O-CG2 3.37Å; A87-V91 PolarHBondContact O-N 2.99Å; K88-V91 PolarHBondContact O-N 3.46Å; V91-R93 VanDerWaalsContact C-N 3.3Å; V91-R93 PolarHBondContact O-N 3.09Å; V91-A94 PolarHBondContact O-N 2.86Å; V91-V95 HydrophobicContact CG1-CG2 4.43Å; V91-V95 WeakPolarHBondContact O-CG2 3.25Å; V91-V95 PolarHBondContact O-N 2.9Å
92	D	97.8	Very high	97.3	Very high	81 Å²	81	93.5 Å²	93.5	43%	0.433	49%	0.488	S	S	.	.	H	α-helix	trans	-61.5	-40	-179.9	-75.2	-20.1	0	0	0	111.2	K88 D89 S96	K88-D92 IonicContact NZ-OD1 3.68Å; K88-D92 IonicContact NZ-OD2 3.99Å; K88-D92 PolarHBondContact NZ-OD2 2.89Å; K88-D92 PolarHBondContact O-N 3.18Å; D89-D92 PolarHBondContact O-N 3.19Å; D92-S96 PolarHBondContact O-N 3.41Å
93	R	97.4	Very high	97.4	Very high	151 Å²	151	91.1 Å²	91.1	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-66.2	-46.5	172.8	-70.9	176.3	-167.1	163.3	9.2	112.3	D89 V91 V95 S96 D97	D89-R93 WeakPolarHBondContact O-CB 2.99Å; D89-R93 VanDerWaalsContact O-CG 3.29Å; D89-R93 WeakPolarHBondContact O-CG 3.41Å; D89-R93 PolarHBondContact O-N 3.18Å; V91-R93 VanDerWaalsContact C-N 3.3Å; V91-R93 PolarHBondContact O-N 3.09Å; R93-V95 VanDerWaalsContact C-N 3.29Å; R93-V95 PolarHBondContact O-N 2.86Å; R93-S96 WeakPolarHBondContact O-CB 2.9Å; R93-S96 PolarHBondContact O-N 3.5Å; R93-D97 PolarHBondContact O-N 3.26Å
94	A	97.9	Very high	97.5	Very high	52 Å²	52	93.7 Å²	93.7	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-60	-38.7	178.9	0	0	0	0	0	112.1	Y90 V91 D97 T98	Y90-A94 VanDerWaalsContact O-CB 3.27Å; Y90-A94 WeakPolarHBondContact O-CB 3.42Å; Y90-A94 PolarHBondContact O-N 2.93Å; V91-A94 PolarHBondContact O-N 2.86Å; A94-D97 PolarHBondContact O-N 3.02Å; A94-T98 WeakPolarHBondContact O-CB 3.27Å; A94-T98 VanDerWaalsContact O-CG2 3.25Å; A94-T98 WeakPolarHBondContact O-CG2 3.4Å; A94-T98 PolarHBondContact O-N 3.47Å; A94-T98 PolarHBondContact O-OG1 3.17Å
95	V	98	Very high	97.5	Very high	90 Å²	90	94.7 Å²	94.7	55%	0.545	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-41.7	173.7	171.4	0	0	0	0	111.4	V91 R93 T98 K99	V91-V95 HydrophobicContact CG1-CG2 4.43Å; V91-V95 WeakPolarHBondContact O-CG2 3.25Å; V91-V95 PolarHBondContact O-N 2.9Å; R93-V95 VanDerWaalsContact C-N 3.29Å; R93-V95 PolarHBondContact O-N 2.86Å; V95-T98 WeakPolarHBondContact CA-OG1 3.48Å; V95-T98 PolarHBondContact O-OG1 3.47Å; V95-K99 WeakPolarHBondContact O-CB 3.4Å; V95-K99 PolarHBondContact O-N 3.35Å; V95-K99 VanDerWaalsContact O-N 3.1Å
96	S	97.8	Very high	97.5	Very high	53 Å²	53	91.7 Å²	91.7	37%	0.371	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-44.9	176.5	-170.5	0	0	0	0	112.3	D92 R93 K99 K100	D92-S96 PolarHBondContact O-N 3.41Å; R93-S96 WeakPolarHBondContact O-CB 2.9Å; R93-S96 PolarHBondContact O-N 3.5Å; S96-K99 WeakPolarHBondContact O-CB 3.44Å; S96-K99 PolarHBondContact O-N 3.1Å; S96-K100 WeakPolarHBondContact O-CG 3.42Å; S96-K100 PolarHBondContact O-N 3.07Å
97	D	97.7	Very high	97.5	Very high	95 Å²	95	95 Å²	95	51%	0.508	49%	0.489	S	S	.	.	H	α-helix	trans	-70.4	-39.2	-177.9	-73.1	-15.8	0	0	0	112.1	R93 A94 K99 K100 A101	R93-D97 PolarHBondContact O-N 3.26Å; A94-D97 PolarHBondContact O-N 3.02Å; D97-K99 VanDerWaalsContact C-N 3.34Å; D97-K99 PolarHBondContact O-N 2.95Å; D97-K100 PolarHBondContact O-N 3.35Å; D97-K100 IonicContact OD1-NZ 3.44Å; D97-A101 WeakPolarHBondContact O-CB 3.38Å; D97-A101 PolarHBondContact O-N 2.98Å
98	T	97.5	Very high	97.5	Very high	87 Å²	87	94.8 Å²	94.8	53%	0.534	49%	0.487	S	S	.	.	H	α-helix	trans	-63	-39.9	173	51.4	0	0	0	0	111.7	A94 V95 K100 A101 V102	A94-T98 WeakPolarHBondContact O-CB 3.27Å; A94-T98 VanDerWaalsContact O-CG2 3.25Å; A94-T98 WeakPolarHBondContact O-CG2 3.4Å; A94-T98 PolarHBondContact O-N 3.47Å; A94-T98 PolarHBondContact O-OG1 3.17Å; V95-T98 WeakPolarHBondContact CA-OG1 3.48Å; V95-T98 PolarHBondContact O-OG1 3.47Å; T98-K100 PolarHBondContact O-N 2.88Å; T98-A101 PolarHBondContact O-N 2.95Å; T98-V102 WeakPolarHBondContact O-CG2 3.37Å; T98-V102 PolarHBondContact O-N 3.12Å
99	K	97.8	Very high	97.5	Very high	141 Å²	141	94.6 Å²	94.6	61%	0.613	48%	0.483	S	S	*	.	H	α-helix	trans	-60.6	-45.4	173.5	-175.3	177.6	-178.6	177.6	0	111.9	V95 S96 D97 V102 Q103	V95-K99 WeakPolarHBondContact O-CB 3.4Å; V95-K99 PolarHBondContact O-N 3.35Å; V95-K99 VanDerWaalsContact O-N 3.1Å; S96-K99 WeakPolarHBondContact O-CB 3.44Å; S96-K99 PolarHBondContact O-N 3.1Å; D97-K99 VanDerWaalsContact C-N 3.34Å; D97-K99 PolarHBondContact O-N 2.95Å; K99-V102 PolarHBondContact O-N 3.45Å; K99-Q103 WeakPolarHBondContact O-CG 3.38Å; K99-Q103 PolarHBondContact O-N 2.91Å; K99-Q103 VanDerWaalsContact O-N 3.17Å
100	K	98.1	Very high	97.4	Very high	91 Å²	91	100.8 Å²	100.8	40%	0.396	50%	0.503	S	S	.	.	H	α-helix	trans	-63.9	-42.8	175.5	-69.8	172	-169.3	161.3	0	111.7	S96 D97 T98 V102 Q103 Y104	S96-K100 WeakPolarHBondContact O-CG 3.42Å; S96-K100 PolarHBondContact O-N 3.07Å; D97-K100 PolarHBondContact O-N 3.35Å; D97-K100 IonicContact OD1-NZ 3.44Å; T98-K100 PolarHBondContact O-N 2.88Å; K100-V102 VanDerWaalsContact C-N 3.33Å; K100-V102 PolarHBondContact O-N 3.46Å; K100-Q103 WeakPolarHBondContact O-CB 3.37Å; K100-Q103 PolarHBondContact O-N 3.02Å; K100-Q103 VanDerWaalsContact O-N 3.12Å; K100-Y104 HydrophobicContact CB-CE2 4.28Å; K100-Y104 WeakPolarHBondContact O-CD2 3.47Å; K100-Y104 PolarHBondContact O-N 2.9Å
101	A	97.8	Very high	97.4	Very high	58 Å²	58	99 Å²	99	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-58	-44.6	178.1	0	0	0	0	0	111.6	D97 T98 Q103 Y104 Q105	D97-A101 WeakPolarHBondContact O-CB 3.38Å; D97-A101 PolarHBondContact O-N 2.98Å; T98-A101 PolarHBondContact O-N 2.95Å; A101-Q103 PolarHBondContact O-N 3.4Å; A101-Y104 PolarHBondContact O-N 3.45Å; A101-Q105 WeakPolarHBondContact O-CB 3.33Å; A101-Q105 PolarHBondContact O-N 3.46Å
102	V	97.8	Very high	97.4	Very high	86 Å²	86	100.2 Å²	100.2	52%	0.521	51%	0.506	S	S	.	.	H	α-helix	trans	-61.6	-41.9	174.9	172.1	0	0	0	0	111.9	T98 K99 K100 Q105 S106	T98-V102 WeakPolarHBondContact O-CG2 3.37Å; T98-V102 PolarHBondContact O-N 3.12Å; K99-V102 PolarHBondContact O-N 3.45Å; K100-V102 VanDerWaalsContact C-N 3.33Å; K100-V102 PolarHBondContact O-N 3.46Å; V102-Q105 PolarHBondContact O-N 3.41Å; V102-S106 PolarHBondContact O-N 2.83Å
103	Q	97.5	Very high	97.3	Very high	89 Å²	89	101 Å²	101	42%	0.416	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-41.6	177.3	-70.7	-179.3	1.1	0	0	112.6	K99 K100 A101 S106 K107	K99-Q103 WeakPolarHBondContact O-CG 3.38Å; K99-Q103 PolarHBondContact O-N 2.91Å; K99-Q103 VanDerWaalsContact O-N 3.17Å; K100-Q103 WeakPolarHBondContact O-CB 3.37Å; K100-Q103 PolarHBondContact O-N 3.02Å; K100-Q103 VanDerWaalsContact O-N 3.12Å; A101-Q103 PolarHBondContact O-N 3.4Å; Q103-S106 PolarHBondContact O-N 2.89Å; Q103-S106 PolarHBondContact O-OG 3.43Å; Q103-K107 WeakPolarHBondContact O-CG 3.34Å; Q103-K107 PolarHBondContact O-N 3.21Å; Q103-K107 VanDerWaalsContact O-N 3.11Å
104	Y	97.8	Very high	97.1	Very high	155 Å²	155	97.2 Å²	97.2	61%	0.608	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-40.8	175.6	-67.2	-37	0	0	0	111.5	K100 A101 S106 K107 A108	K100-Y104 HydrophobicContact CB-CE2 4.28Å; K100-Y104 WeakPolarHBondContact O-CD2 3.47Å; K100-Y104 PolarHBondContact O-N 2.9Å; A101-Y104 PolarHBondContact O-N 3.45Å; Y104-S106 PolarHBondContact O-N 3.04Å; Y104-K107 PolarHBondContact O-N 3.45Å; Y104-A108 WeakPolarHBondContact O-CB 3.33Å; Y104-A108 PolarHBondContact O-N 3.35Å
105	Q	97.2	Very high	97	Very high	113 Å²	113	98.7 Å²	98.7	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-42.8	175.7	-158.1	-162.1	28.3	0	0	111.6	A101 V102 A108 R109	A101-Q105 WeakPolarHBondContact O-CB 3.33Å; A101-Q105 PolarHBondContact O-N 3.46Å; V102-Q105 PolarHBondContact O-N 3.41Å; Q105-A108 PolarHBondContact O-N 3.31Å; Q105-R109 WeakPolarHBondContact O-CG 3.43Å; Q105-R109 PolarHBondContact O-N 2.95Å
106	S	96.8	Very high	96.8	Very high	53 Å²	53	97.8 Å²	97.8	37%	0.371	50%	0.503	S	S	.	.	H	α-helix	trans	-67.4	-40.5	178.8	72.5	0	0	0	0	112.8	V102 Q103 Y104 R109 R110	V102-S106 PolarHBondContact O-N 2.83Å; Q103-S106 PolarHBondContact O-N 2.89Å; Q103-S106 PolarHBondContact O-OG 3.43Å; Y104-S106 PolarHBondContact O-N 3.04Å; S106-R109 PolarHBondContact O-N 3.38Å; S106-R110 PolarHBondContact O-N 2.88Å
107	K	96.5	Very high	96.6	Very high	126 Å²	126	100 Å²	100	55%	0.548	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-46.6	173.6	-72.9	175.6	-179.8	179.2	0	111.7	Q103 Y104 R109 R110 L111	Q103-K107 WeakPolarHBondContact O-CG 3.34Å; Q103-K107 PolarHBondContact O-N 3.21Å; Q103-K107 VanDerWaalsContact O-N 3.11Å; Y104-K107 PolarHBondContact O-N 3.45Å; K107-R109 PolarHBondContact O-N 3.11Å; K107-R110 PolarHBondContact O-N 3Å; K107-L111 WeakPolarHBondContact O-CG 3.41Å; K107-L111 PolarHBondContact O-N 3.02Å
108	A	97.1	Very high	96.4	Very high	48 Å²	48	103.4 Å²	103.4	40%	0.397	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-44.2	177.1	0	0	0	0	0	111.6	Y104 Q105 R110 L111 L112	Y104-A108 WeakPolarHBondContact O-CB 3.33Å; Y104-A108 PolarHBondContact O-N 3.35Å; Q105-A108 PolarHBondContact O-N 3.31Å; A108-R110 PolarHBondContact O-N 3.2Å; A108-L111 PolarHBondContact O-N 3.48Å; A108-L112 WeakPolarHBondContact O-CG 3.42Å; A108-L112 PolarHBondContact O-N 3.46Å
109	R	96.9	Very high	96.1	Very high	117 Å²	117	103 Å²	103	44%	0.442	52%	0.521	S	S	.	.	H	α-helix	trans	-57.9	-45	173.8	-75.3	-168.4	-57.8	-95.7	2.1	112.3	Q105 S106 K107 L111 L112 I113	Q105-R109 WeakPolarHBondContact O-CG 3.43Å; Q105-R109 PolarHBondContact O-N 2.95Å; S106-R109 PolarHBondContact O-N 3.38Å; K107-R109 PolarHBondContact O-N 3.11Å; R109-L111 VanDerWaalsContact C-N 3.35Å; R109-L111 PolarHBondContact O-N 3.46Å; R109-L112 PolarHBondContact O-N 3.03Å; R109-I113 WeakPolarHBondContact O-CG1 3.43Å; R109-I113 PolarHBondContact O-N 2.83Å
110	R	96.4	Very high	95.7	Very high	187 Å²	187	101 Å²	101	71%	0.706	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-43.6	177.7	-176.1	-178.9	175.7	-159.7	-0.8	111.6	S106 K107 A108 I113 C114	S106-R110 PolarHBondContact O-N 2.88Å; K107-R110 PolarHBondContact O-N 3Å; A108-R110 PolarHBondContact O-N 3.2Å; R110-I113 PolarHBondContact O-N 2.97Å; R110-C114 PolarHBondContact O-N 3.26Å; R110-C114 PolarHBondContact O-SG 3.01Å; R110-C114 VanDerWaalsContact O-SG 3.32Å
111	L	96.6	Very high	95.3	Very high	118 Å²	118	102.5 Å²	102.5	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-63.1	-44.1	177.3	-68.6	174.2	0	0	0	111.6	K107 A108 R109 I113 C114 T115	K107-L111 WeakPolarHBondContact O-CG 3.41Å; K107-L111 PolarHBondContact O-N 3.02Å; A108-L111 PolarHBondContact O-N 3.48Å; R109-L111 VanDerWaalsContact C-N 3.35Å; R109-L111 PolarHBondContact O-N 3.46Å; L111-I113 VanDerWaalsContact C-N 3.32Å; L111-I113 PolarHBondContact O-N 3.02Å; L111-C114 PolarHBondContact O-N 2.9Å; L111-T115 WeakPolarHBondContact O-CG2 3.3Å; L111-T115 PolarHBondContact O-N 3.26Å; L111-T115 PolarHBondContact O-OG1 2.89Å
112	L	96.5	Very high	94.6	Very high	113 Å²	113	104.8 Å²	104.8	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-60.7	-38.6	175.7	-70.6	172.9	0	0	0	112.5	A108 R109 T115 T116	A108-L112 WeakPolarHBondContact O-CG 3.42Å; A108-L112 PolarHBondContact O-N 3.46Å; R109-L112 PolarHBondContact O-N 3.03Å; L112-T115 WeakPolarHBondContact CA-OG1 3.32Å; L112-T115 PolarHBondContact O-OG1 3.41Å; L112-T116 WeakPolarHBondContact O-CB 3.35Å; L112-T116 VanDerWaalsContact O-CG2 3.25Å; L112-T116 WeakPolarHBondContact O-CG2 3.25Å; L112-T116 PolarHBondContact O-N 3.33Å; L112-T116 PolarHBondContact O-OG1 3Å
113	I	96.1	Very high	93.7	Very high	99 Å²	99	107 Å²	107	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-66.3	-43.2	175.4	-67.1	164.4	0	0	0	110.7	R109 R110 L111 T116 I117	R109-I113 WeakPolarHBondContact O-CG1 3.43Å; R109-I113 PolarHBondContact O-N 2.83Å; R110-I113 PolarHBondContact O-N 2.97Å; L111-I113 VanDerWaalsContact C-N 3.32Å; L111-I113 PolarHBondContact O-N 3.02Å; I113-T116 WeakPolarHBondContact CA-OG1 3.36Å; I113-T116 PolarHBondContact O-N 3.33Å; I113-T116 PolarHBondContact O-OG1 2.95Å; I113-I117 HydrophobicContact CG2-CD1 3.81Å; I113-I117 VanDerWaalsContact O-CG1 3.3Å; I113-I117 WeakPolarHBondContact O-CG1 3.48Å; I113-I117 PolarHBondContact O-N 3.47Å
114	C	94.5	Very high	92.7	Very high	70 Å²	70	107.6 Å²	107.6	47%	0.473	56%	0.557	S	S	.	*	H	α-helix	trans	-63.6	-42.6	177.1	-68	0	0	0	0	112.3	R110 L111 F118	R110-C114 PolarHBondContact O-N 3.26Å; R110-C114 PolarHBondContact O-SG 3.01Å; R110-C114 VanDerWaalsContact O-SG 3.32Å; L111-C114 PolarHBondContact O-N 2.9Å; C114-F118 WeakPolarHBondContact O-CB 3.46Å; C114-F118 PolarHBondContact O-N 3.32Å
115	T	94.9	Very high	91.8	Very high	84 Å²	84	103.5 Å²	103.5	52%	0.515	55%	0.549	S	S	.	.	H	α-helix	trans	-68.2	-38.2	179	56.7	0	0	0	0	112.1	L111 L112 F118 S119	L111-T115 WeakPolarHBondContact O-CG2 3.3Å; L111-T115 PolarHBondContact O-N 3.26Å; L111-T115 PolarHBondContact O-OG1 2.89Å; L112-T115 WeakPolarHBondContact CA-OG1 3.32Å; L112-T115 PolarHBondContact O-OG1 3.41Å; T115-F118 PolarHBondContact O-N 2.78Å; T115-S119 PolarHBondContact O-N 3.03Å; T115-S119 PolarHBondContact O-OG 3.46Å
116	T	94.1	Very high	90.7	Very high	70 Å²	70	104.1 Å²	104.1	43%	0.429	56%	0.563	S	S	.	*	H	α-helix	trans	-64.8	-44.7	175.1	49.3	0	0	0	0	112.1	L112 I113 F118 S119 L120	L112-T116 WeakPolarHBondContact O-CB 3.35Å; L112-T116 VanDerWaalsContact O-CG2 3.25Å; L112-T116 WeakPolarHBondContact O-CG2 3.25Å; L112-T116 PolarHBondContact O-N 3.33Å; L112-T116 PolarHBondContact O-OG1 3Å; I113-T116 WeakPolarHBondContact CA-OG1 3.36Å; I113-T116 PolarHBondContact O-N 3.33Å; I113-T116 PolarHBondContact O-OG1 2.95Å; T116-F118 PolarHBondContact O-N 2.91Å; T116-S119 PolarHBondContact O-N 3.1Å; T116-S119 PolarHBondContact O-OG 3.4Å; T116-L120 WeakPolarHBondContact O-CB 3.18Å; T116-L120 WeakPolarHBondContact O-CG 3.39Å; T116-L120 PolarHBondContact O-N 3.05Å
117	I	93.4	Very high	89.2	Confident	100 Å²	100	111.1 Å²	111.1	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-60.9	-45.6	175.1	-66.9	166.3	0	0	0	111.3	I113 S119 L120 L121	I113-I117 HydrophobicContact CG2-CD1 3.81Å; I113-I117 VanDerWaalsContact O-CG1 3.3Å; I113-I117 WeakPolarHBondContact O-CG1 3.48Å; I113-I117 PolarHBondContact O-N 3.47Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 3.49Å; I117-L120 VanDerWaalsContact O-N 3.1Å; I117-L121 PolarHBondContact O-N 3.19Å
118	F	92.9	Very high	87.1	Confident	166 Å²	166	117.1 Å²	117.1	73%	0.728	60%	0.602	S	S	*	*	H	α-helix	trans	-61.6	-39.1	179.4	-172.3	-97.5	0	0	0	112.3	C114 T115 T116 L120 P122	C114-F118 WeakPolarHBondContact O-CB 3.46Å; C114-F118 PolarHBondContact O-N 3.32Å; T115-F118 PolarHBondContact O-N 2.78Å; T116-F118 PolarHBondContact O-N 2.91Å; F118-L120 VanDerWaalsContact C-N 3.34Å; F118-P122 WeakPolarHBondContact O-CD 3.37Å
119	S	91.3	Very high	84.9	Confident	78 Å²	78	122.1 Å²	122.1	55%	0.545	66%	0.659	S	S	.	*	H	α-helix	trans	-69.5	-27.6	174.4	63.2	0	0	0	0	114	T115 T116 I117	T115-S119 PolarHBondContact O-N 3.03Å; T115-S119 PolarHBondContact O-OG 3.46Å; T116-S119 PolarHBondContact O-N 3.1Å; T116-S119 PolarHBondContact O-OG 3.4Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 3.32Å
120	L	90.5	Very high	84.3	Confident	99 Å²	99	122.4 Å²	122.4	52%	0.518	67%	0.669	S	S	.	*	H	α-helix	trans	-87.9	-29.8	-178.6	-74.8	167.1	0	0	0	113.8	T116 I117 F118 L123	T116-L120 WeakPolarHBondContact O-CB 3.18Å; T116-L120 WeakPolarHBondContact O-CG 3.39Å; T116-L120 PolarHBondContact O-N 3.05Å; I117-L120 PolarHBondContact O-N 3.49Å; I117-L120 VanDerWaalsContact O-N 3.1Å; F118-L120 VanDerWaalsContact C-N 3.34Å; L120-L123 HydrophobicContact CD2-CD2 4.45Å; L120-L123 WeakPolarHBondContact O-CB 3.39Å; L120-L123 PolarHBondContact O-N 2.93Å
121	L	88.7	Confident	83.7	Confident	123 Å²	123	119 Å²	119	64%	0.644	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-54.3	-47.8	-178.3	-170.1	84	0	0	0	114.6	I117 L123 T124	I117-L121 PolarHBondContact O-N 3.19Å; L121-L123 PolarHBondContact O-N 3.11Å; L121-T124 PolarHBondContact O-OG1 3.03Å; L121-T124 VanDerWaalsContact O-OG1 3.11Å
122	P	83.2	Confident	83	Confident	107 Å²	107	119.1 Å²	119.1	70%	0.695	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-72.3	-13.8	178.4	29.5	-35.1	0	0	0	113	F118	F118-P122 WeakPolarHBondContact O-CD 3.37Å
123	L	79.4	Confident	82.2	Confident	132 Å²	132	119.4 Å²	119.4	69%	0.691	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-82.5	-19.5	-178.4	-166.4	67.8	0	0	0	112.5	L120 L121 P125	L120-L123 HydrophobicContact CD2-CD2 4.45Å; L120-L123 WeakPolarHBondContact O-CB 3.39Å; L120-L123 PolarHBondContact O-N 2.93Å; L121-L123 PolarHBondContact O-N 3.11Å; L123-P125 WeakPolarHBondContact O-CD 3.35Å
124	T	75.3	Confident	81.3	Confident	101 Å²	101	120.7 Å²	120.7	62%	0.62	69%	0.685	S	S	*	*	S	Bend	trans	-85.3	107.7	175	52.6	0	0	0	0	110.1	L121	L121-T124 PolarHBondContact O-OG1 3.03Å; L121-T124 VanDerWaalsContact O-OG1 3.11Å
125	P	79.5	Confident	80.5	Confident	69 Å²	69	124.1 Å²	124.1	45%	0.448	70%	0.699	S	S	.	*			trans	-64.3	149.3	179.6	26.2	-33.2	0	0	0	111.1	L123 Y127	L123-P125 WeakPolarHBondContact O-CD 3.35Å; P125-Y127 HydrophobicContact CG-CD2 4.37Å; P125-Y127 HydrophobicContact CG-CE2 3.67Å; P125-Y127 WeakPolarHBondContact O-CD2 3.18Å; P125-Y127 PolarHBondContact O-N 3.3Å
126	P	74.7	Confident	79.4	Confident	126 Å²	126	126.9 Å²	126.9	82%	0.818	71%	0.713	S	S	*	*			trans	-69.8	95.2	-177.9	28.4	-33	0	0	0	110.4	W128	P126-W128 PolarHBondContact O-N 3.26Å
127	Y	64.7	Low	78.3	Confident	200 Å²	200	131.3 Å²	131.3	78%	0.784	73%	0.734	S	S	*	*			trans	-82.8	38.7	171.2	-65.2	-72.9	0	0	0	112.8	P125	P125-Y127 HydrophobicContact CG-CD2 4.37Å; P125-Y127 HydrophobicContact CG-CE2 3.67Å; P125-Y127 WeakPolarHBondContact O-CD2 3.18Å; P125-Y127 PolarHBondContact O-N 3.3Å
128	W	53	Low	77	Confident	252 Å²	252	133.9 Å²	133.9	96%	0.955	75%	0.753	S	S	*	*			trans	-134	95.5	171	-84.8	71.1	0	0	0	108.5	P126	P126-W128 PolarHBondContact O-N 3.26Å
129	G	51.3	Low	75.6	Confident	154 Å²	154	131 Å²	131	100%	1.588	76%	0.755	S	S	*	*			trans	136.7	0	177.1	0	0	0	0	0	111.6

Retrieved 129 of 129 residues in 27.1 ms (Link to these results)

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