A0A5K4F9X4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F9X4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

						>A0A5K4F9X4_SCHMA|A0A5K4F9X4
MCIYFTYFRNLTFSTEAVPIQSVRWTIQKAIQIRLWILNPIFHVVGCIFVAPVNFVVHVSVYVERLDIYKTFVKAPSNLLLKHLMMADQEQLIGTKRWIR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	41.2	Very low	229 Å²	229	156.6 Å²	156.6	100%	1.128	74%	0.739	S	S	*	*				0	42.4	0	-85.3	-96.5	178.4	0	0	111.4
2	C	36.8	Very low	41.6	Very low	104 Å²	104	151.9 Å²	151.9	70%	0.703	73%	0.728	S	S	*	*			trans	-114.2	6	-169.6	-58.6	0	0	0	0	114.4	T6	C2-T6 PolarHBondContact O-OG1 2.72Å
3	I	46.1	Very low	41.7	Very low	133 Å²	133	155.5 Å²	155.5	68%	0.682	74%	0.739	S	S	*	*	H	α-helix	trans	-87.3	-23.3	-171.2	-53.1	162.1	0	0	0	111.3
4	Y	36.7	Very low	41.7	Very low	196 Å²	196	151 Å²	151	77%	0.769	73%	0.733	S	S	*	*	H	α-helix	trans	-78.9	-24.2	180	-77.8	-81.2	0	0	0	114.2
5	F	40.6	Very low	41.8	Very low	180 Å²	180	150.6 Å²	150.6	79%	0.789	74%	0.743	S	S	*	*	H	α-helix	trans	-78	-25.9	179.2	-126.5	-90.6	0	0	0	112.4	R9	F5-R9 PolarHBondContact O-N 3.2Å
6	T	41.2	Very low	42.1	Very low	81 Å²	81	150.5 Å²	150.5	50%	0.497	74%	0.74	S	S	.	*	H	α-helix	trans	-75.4	-31.6	179.6	-39.8	0	0	0	0	112.2	C2 F8 R9 N10	C2-T6 PolarHBondContact O-OG1 2.72Å; T6-F8 PolarHBondContact O-N 2.97Å; T6-R9 PolarHBondContact O-N 2.87Å; T6-N10 PolarHBondContact O-N 2.88Å
7	Y	39.9	Very low	42.3	Very low	177 Å²	177	147.9 Å²	147.9	69%	0.694	75%	0.749	S	S	*	*	H	α-helix	trans	-68.7	-32.1	177.5	-98.2	-86.3	0	0	0	113.4
8	F	42.7	Very low	42.7	Very low	140 Å²	140	144.4 Å²	144.4	61%	0.614	74%	0.735	S	S	*	*	H	α-helix	trans	-79.4	-25.9	176.6	-96.1	-86.2	0	0	0	113.3	T6 R34	T6-F8 PolarHBondContact O-N 2.97Å; F8-R34 VanDerWaalsContact CZ-NH2 3.3Å
9	R	41.8	Very low	43.2	Very low	201 Å²	201	141.5 Å²	141.5	76%	0.758	73%	0.727	S	S	*	*	H	α-helix	trans	-81.9	-17.2	-177.4	-156.6	176.1	171.2	-165.7	-3.9	113.7	F5 T6 T12	F5-R9 PolarHBondContact O-N 3.2Å; T6-R9 PolarHBondContact O-N 2.87Å; R9-T12 PolarHBondContact O-OG1 2.85Å
10	N	39	Very low	43.8	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-1.3	177	-83.8	-25.1	0	0	0	114.8	T6	T6-N10 PolarHBondContact O-N 2.88Å
11	L	45.9	Very low	44.2	Very low	145 Å²	145	141.2 Å²	141.2	76%	0.759	72%	0.722	S	S	*	*	S	Bend	trans	-94.3	7	179.9	-94.1	154.4	0	0	0	114.1
12	T	45.3	Very low	44.7	Very low	100 Å²	100	132.6 Å²	132.6	61%	0.613	68%	0.684	S	S	*	*	S	Bend	trans	-111.4	11.2	-168.6	27.3	0	0	0	0	116	R9	R9-T12 PolarHBondContact O-OG1 2.85Å
13	F	43.1	Very low	45.3	Very low	199 Å²	199	130.6 Å²	130.6	87%	0.873	67%	0.669	S	S	*	*			trans	-138.8	44.6	-178.7	-86	-83.3	0	0	0	114.7
14	S	42.3	Very low	45.8	Very low	92 Å²	92	132.8 Å²	132.8	64%	0.643	67%	0.669	S	S	*	*			trans	-120.1	102.9	158.1	-163.4	0	0	0	0	109.2	E16	S14-E16 PolarHBondContact O-N 3.06Å
15	T	42.3	Very low	46.8	Very low	145 Å²	145	131.7 Å²	131.7	89%	0.89	66%	0.663	S	S	*	*			trans	-75.3	44.5	177.1	46	0	0	0	0	111.8
16	E	46.4	Very low	47.7	Very low	149 Å²	149	127.7 Å²	127.7	70%	0.696	65%	0.654	S	S	*	*			trans	-94	131.9	167.5	-70.6	-170.1	161.5	0	0	108.2	S14 V18	S14-E16 PolarHBondContact O-N 3.06Å; E16-V18 PolarHBondContact O-N 3.26Å
17	A	46.9	Very low	48.5	Very low	107 Å²	107	128.2 Å²	128.2	88%	0.884	65%	0.653	S	S	*	*			trans	-65	80.2	-177.1	0	0	0	0	0	110.8	P19	A17-P19 WeakPolarHBondContact O-CD 3.47Å
18	V	49.5	Very low	49.4	Very low	84 Å²	84	125.1 Å²	125.1	51%	0.509	64%	0.644	S	S	.	*			trans	-69.5	121.9	175.3	-178	0	0	0	0	107.6	E16 I20 S22 V23	E16-V18 PolarHBondContact O-N 3.26Å; V18-I20 PolarHBondContact O-N 2.98Å; V18-S22 WeakPolarHBondContact CG1-OG 3.2Å; V18-V23 HydrophobicContact CB-CG2 4.18Å; V18-V23 HydrophobicContact CG1-CG2 3.64Å
19	P	52.3	Low	50.3	Low	89 Å²	89	125 Å²	125	58%	0.578	64%	0.643	S	S	*	*			trans	-58.3	125.5	-177.8	19.7	-29.6	0	0	0	110.1	A17 Q21 S22	A17-P19 WeakPolarHBondContact O-CD 3.47Å; P19-Q21 PolarHBondContact O-N 2.8Å; P19-S22 PolarHBondContact O-N 3.36Å; P19-S22 PolarHBondContact O-OG 3.43Å
20	I	54.7	Low	51.2	Low	128 Å²	128	117.4 Å²	117.4	66%	0.656	62%	0.624	S	S	*	*	H	α-helix	trans	-49.4	-28.4	-174.6	-69.8	156.4	0	0	0	113.1	V18 R24	V18-I20 PolarHBondContact O-N 2.98Å; I20-R24 HydrophobicContact CG2-CG 4.5Å; I20-R24 WeakPolarHBondContact O-CG 3.28Å; I20-R24 PolarHBondContact O-N 3.2Å
21	Q	51.2	Low	52.3	Low	150 Å²	150	115.2 Å²	115.2	70%	0.701	61%	0.612	S	S	*	*	H	α-helix	trans	-62.9	-45.1	174.9	-70.4	-177.6	-16.7	0	0	112.6	P19 V23 R24 W25	P19-Q21 PolarHBondContact O-N 2.8Å; Q21-V23 VanDerWaalsContact C-N 3.32Å; Q21-V23 PolarHBondContact O-N 3.23Å; Q21-R24 PolarHBondContact O-N 3.47Å; Q21-W25 PolarHBondContact O-N 3.39Å; Q21-W25 VanDerWaalsContact O-N 3.08Å
22	S	53.5	Low	53	Low	47 Å²	47	113.2 Å²	113.2	33%	0.329	60%	0.598	S	S	.	*	H	α-helix	trans	-69	-31.7	-179.9	63.6	0	0	0	0	112.4	V18 P19 T26	V18-S22 WeakPolarHBondContact CG1-OG 3.2Å; P19-S22 PolarHBondContact O-N 3.36Å; P19-S22 PolarHBondContact O-OG 3.43Å; S22-T26 PolarHBondContact O-N 3.11Å; S22-T26 VanDerWaalsContact O-N 3.11Å; S22-T26 PolarHBondContact O-OG1 3.08Å
23	V	51.1	Low	54	Low	63 Å²	63	113.2 Å²	113.2	38%	0.382	59%	0.594	S	S	.	*	H	α-helix	trans	-65.8	-43.5	173.2	-176.8	0	0	0	0	110.7	V18 Q21 T26 I27	V18-V23 HydrophobicContact CB-CG2 4.18Å; V18-V23 HydrophobicContact CG1-CG2 3.64Å; Q21-V23 VanDerWaalsContact C-N 3.32Å; Q21-V23 PolarHBondContact O-N 3.23Å; V23-T26 PolarHBondContact O-N 2.96Å; V23-I27 HydrophobicContact CG1-CD1 3.68Å; V23-I27 HydrophobicContact CG1-CG1 4.38Å; V23-I27 WeakPolarHBondContact O-CB 3.4Å; V23-I27 VanDerWaalsContact O-CG1 3.24Å; V23-I27 WeakPolarHBondContact O-CG1 3.24Å; V23-I27 PolarHBondContact O-N 2.91Å
24	R	55.8	Low	54.9	Low	179 Å²	179	110.3 Å²	110.3	68%	0.675	58%	0.577	S	S	*	*	H	α-helix	trans	-62.1	-45.2	176.5	-76.3	-178.6	176.6	-153	-0	112.6	I20 Q21 T26 I27 Q28	I20-R24 HydrophobicContact CG2-CG 4.5Å; I20-R24 WeakPolarHBondContact O-CG 3.28Å; I20-R24 PolarHBondContact O-N 3.2Å; Q21-R24 PolarHBondContact O-N 3.47Å; R24-T26 VanDerWaalsContact C-N 3.32Å; R24-T26 PolarHBondContact O-N 3.46Å; R24-I27 PolarHBondContact O-N 3.43Å; R24-Q28 WeakPolarHBondContact O-CB 3.49Å; R24-Q28 PolarHBondContact O-N 3.28Å
25	W	56.9	Low	55.8	Low	172 Å²	172	111.2 Å²	111.2	65%	0.652	57%	0.574	S	S	*	*	H	α-helix	trans	-61.4	-40.5	177.8	-73	112.5	0	0	0	112.2	Q21 K29	Q21-W25 PolarHBondContact O-N 3.39Å; Q21-W25 VanDerWaalsContact O-N 3.08Å; W25-K29 WeakPolarHBondContact O-CG 3.34Å; W25-K29 PolarHBondContact O-N 2.91Å; W25-K29 VanDerWaalsContact O-N 3.08Å
26	T	59.5	Low	56.8	Low	97 Å²	97	114.5 Å²	114.5	60%	0.595	57%	0.57	S	S	*	*	H	α-helix	trans	-69.1	-42.8	179.2	-51.4	0	0	0	0	111.8	S22 V23 R24 K29 A30	S22-T26 PolarHBondContact O-N 3.11Å; S22-T26 VanDerWaalsContact O-N 3.11Å; S22-T26 PolarHBondContact O-OG1 3.08Å; V23-T26 PolarHBondContact O-N 2.96Å; R24-T26 VanDerWaalsContact C-N 3.32Å; R24-T26 PolarHBondContact O-N 3.46Å; T26-K29 PolarHBondContact O-N 3.43Å; T26-A30 WeakPolarHBondContact O-CB 3.39Å; T26-A30 PolarHBondContact O-N 3.08Å
27	I	58.7	Low	57.6	Low	92 Å²	92	112 Å²	112	47%	0.472	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-45.1	176.9	-68.7	168.3	0	0	0	110.7	V23 R24 K29 A30 I31	V23-I27 HydrophobicContact CG1-CD1 3.68Å; V23-I27 HydrophobicContact CG1-CG1 4.38Å; V23-I27 WeakPolarHBondContact O-CB 3.4Å; V23-I27 VanDerWaalsContact O-CG1 3.24Å; V23-I27 WeakPolarHBondContact O-CG1 3.24Å; V23-I27 PolarHBondContact O-N 2.91Å; R24-I27 PolarHBondContact O-N 3.43Å; I27-K29 PolarHBondContact O-N 3.39Å; I27-A30 PolarHBondContact O-N 3.47Å; I27-I31 HydrophobicContact CG2-CD1 3.69Å; I27-I31 HydrophobicContact CG2-CG1 4.36Å; I27-I31 VanDerWaalsContact O-CG1 3.28Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 3.49Å
28	Q	59	Low	58.3	Low	111 Å²	111	110.9 Å²	110.9	52%	0.519	54%	0.539	S	S	.	.	H	α-helix	trans	-64.6	-41.3	-179.3	-167	171.7	-20.7	0	0	111.7	R24 I31 Q32	R24-Q28 WeakPolarHBondContact O-CB 3.49Å; R24-Q28 PolarHBondContact O-N 3.28Å; Q28-I31 PolarHBondContact O-N 3.42Å; Q28-Q32 WeakPolarHBondContact O-CG 3.23Å; Q28-Q32 PolarHBondContact O-N 2.93Å
29	K	61	Low	58.9	Low	137 Å²	137	112.3 Å²	112.3	60%	0.596	54%	0.544	S	S	*	.	H	α-helix	trans	-64.2	-41.2	172.6	-75.8	-167.6	176.2	-173.3	0	112.3	W25 T26 I27 I31 Q32 I33	W25-K29 WeakPolarHBondContact O-CG 3.34Å; W25-K29 PolarHBondContact O-N 2.91Å; W25-K29 VanDerWaalsContact O-N 3.08Å; T26-K29 PolarHBondContact O-N 3.43Å; I27-K29 PolarHBondContact O-N 3.39Å; K29-I31 VanDerWaalsContact C-N 3.34Å; K29-I31 PolarHBondContact O-N 3.46Å; K29-Q32 PolarHBondContact O-N 3.38Å; K29-I33 WeakPolarHBondContact O-CD1 3.26Å; K29-I33 VanDerWaalsContact O-CG1 3.23Å; K29-I33 WeakPolarHBondContact O-CG1 3.43Å; K29-I33 PolarHBondContact O-N 3.5Å
30	A	61.8	Low	59.5	Low	43 Å²	43	111.3 Å²	111.3	36%	0.355	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-38	177.7	0	0	0	0	0	112.4	T26 I27 R34	T26-A30 WeakPolarHBondContact O-CB 3.39Å; T26-A30 PolarHBondContact O-N 3.08Å; I27-A30 PolarHBondContact O-N 3.47Å; A30-R34 WeakPolarHBondContact O-CB 3.24Å; A30-R34 VanDerWaalsContact O-CG 3.24Å; A30-R34 WeakPolarHBondContact O-CG 3.41Å; A30-R34 PolarHBondContact O-N 2.93Å
31	I	61.8	Low	60.1	Low	91 Å²	91	109.4 Å²	109.4	47%	0.467	53%	0.528	S	S	.	.	H	α-helix	trans	-66.7	-44.4	175.1	-67.2	164.9	0	0	0	110.6	I27 Q28 K29 I33 R34 L35	I27-I31 HydrophobicContact CG2-CD1 3.69Å; I27-I31 HydrophobicContact CG2-CG1 4.36Å; I27-I31 VanDerWaalsContact O-CG1 3.28Å; I27-I31 WeakPolarHBondContact O-CG1 3.47Å; I27-I31 PolarHBondContact O-N 3.49Å; Q28-I31 PolarHBondContact O-N 3.42Å; K29-I31 VanDerWaalsContact C-N 3.34Å; K29-I31 PolarHBondContact O-N 3.46Å; I31-I33 PolarHBondContact O-N 3Å; I31-R34 PolarHBondContact O-N 3.02Å; I31-L35 HydrophobicContact CG2-CD1 3.89Å; I31-L35 WeakPolarHBondContact O-CG 3.37Å; I31-L35 PolarHBondContact O-N 3.32Å
32	Q	60.6	Low	60.7	Low	103 Å²	103	109 Å²	109	48%	0.481	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-44.9	177.3	-74.9	-179.4	-26.7	0	0	111.8	Q28 K29 R34 L35 W36	Q28-Q32 WeakPolarHBondContact O-CG 3.23Å; Q28-Q32 PolarHBondContact O-N 2.93Å; K29-Q32 PolarHBondContact O-N 3.38Å; Q32-R34 VanDerWaalsContact C-N 3.33Å; Q32-R34 PolarHBondContact O-N 2.87Å; Q32-L35 PolarHBondContact O-N 3.09Å; Q32-W36 WeakPolarHBondContact O-CB 3.15Å; Q32-W36 VanDerWaalsContact O-CD1 3.27Å; Q32-W36 PolarHBondContact O-N 3.4Å
33	I	65.6	Low	61.4	Low	100 Å²	100	112.9 Å²	112.9	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-62.3	-42.2	176.8	-67.2	163.6	0	0	0	110.8	K29 I31 L35 W36 I37	K29-I33 WeakPolarHBondContact O-CD1 3.26Å; K29-I33 VanDerWaalsContact O-CG1 3.23Å; K29-I33 WeakPolarHBondContact O-CG1 3.43Å; K29-I33 PolarHBondContact O-N 3.5Å; I31-I33 PolarHBondContact O-N 3Å; I33-L35 PolarHBondContact O-N 3.37Å; I33-W36 PolarHBondContact O-N 3.3Å; I33-I37 HydrophobicContact CG2-CD1 3.74Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 3.5Å; I33-I37 VanDerWaalsContact O-N 3.09Å
34	R	62.7	Low	62.2	Low	138 Å²	138	113.7 Å²	113.7	52%	0.521	54%	0.541	S	S	.	.	H	α-helix	trans	-62.3	-43.5	176.9	-76.9	175.2	-179.3	-132.9	1.1	112	F8 A30 I31 Q32 I37 L38	F8-R34 VanDerWaalsContact CZ-NH2 3.3Å; A30-R34 WeakPolarHBondContact O-CB 3.24Å; A30-R34 VanDerWaalsContact O-CG 3.24Å; A30-R34 WeakPolarHBondContact O-CG 3.41Å; A30-R34 PolarHBondContact O-N 2.93Å; I31-R34 PolarHBondContact O-N 3.02Å; Q32-R34 VanDerWaalsContact C-N 3.33Å; Q32-R34 PolarHBondContact O-N 2.87Å; R34-I37 PolarHBondContact O-N 3.4Å; R34-L38 HydrophobicContact CB-CD1 4.28Å; R34-L38 WeakPolarHBondContact O-CB 3.21Å; R34-L38 WeakPolarHBondContact O-CD1 3.31Å; R34-L38 VanDerWaalsContact O-CG 3.26Å; R34-L38 WeakPolarHBondContact O-CG 3.34Å; R34-L38 PolarHBondContact O-N 3.45Å
35	L	60.5	Low	62.7	Low	110 Å²	110	108.5 Å²	108.5	58%	0.576	53%	0.529	S	S	*	.	H	α-helix	trans	-65.9	-40.5	177.6	-73.5	165.8	0	0	0	112	I31 Q32 I33 I37 N39	I31-L35 HydrophobicContact CG2-CD1 3.89Å; I31-L35 WeakPolarHBondContact O-CG 3.37Å; I31-L35 PolarHBondContact O-N 3.32Å; Q32-L35 PolarHBondContact O-N 3.09Å; I33-L35 PolarHBondContact O-N 3.37Å; L35-I37 VanDerWaalsContact C-N 3.3Å; L35-I37 PolarHBondContact O-N 2.95Å; L35-N39 WeakPolarHBondContact O-CB 3.46Å; L35-N39 PolarHBondContact O-N 3.02Å
36	W	62.3	Low	62.8	Low	214 Å²	214	101.6 Å²	101.6	81%	0.811	51%	0.512	S	S	*	.	H	α-helix	trans	-65.6	-29.6	177.4	-91.6	81.7	0	0	0	113.8	Q32 I33 P40	Q32-W36 WeakPolarHBondContact O-CB 3.15Å; Q32-W36 VanDerWaalsContact O-CD1 3.27Å; Q32-W36 PolarHBondContact O-N 3.4Å; I33-W36 PolarHBondContact O-N 3.3Å; W36-P40 WeakPolarHBondContact O-CD 3.43Å; W36-P40 VanDerWaalsContact O-CG 3.24Å; W36-P40 WeakPolarHBondContact O-CG 3.49Å
37	I	64.4	Low	63	Low	98 Å²	98	100.4 Å²	100.4	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-87.8	-42.1	177.5	-63.7	167.7	0	0	0	111.3	I33 R34 L35 P40 I41	I33-I37 HydrophobicContact CG2-CD1 3.74Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 3.5Å; I33-I37 VanDerWaalsContact O-N 3.09Å; R34-I37 PolarHBondContact O-N 3.4Å; L35-I37 VanDerWaalsContact C-N 3.3Å; L35-I37 PolarHBondContact O-N 2.95Å; I37-P40 VanDerWaalsContact O-CD 3.31Å; I37-P40 WeakPolarHBondContact O-CD 3.34Å; I37-P40 WeakPolarHBondContact O-CG 3.11Å; I37-I41 HydrophobicContact CG2-CD1 3.8Å; I37-I41 WeakPolarHBondContact O-CD1 3.33Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.26Å
38	L	62	Low	63.2	Low	83 Å²	83	100.8 Å²	100.8	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-68.8	-39	-177.6	-76.1	161.5	0	0	0	111.8	R34 I41 F42	R34-L38 HydrophobicContact CB-CD1 4.28Å; R34-L38 WeakPolarHBondContact O-CB 3.21Å; R34-L38 WeakPolarHBondContact O-CD1 3.31Å; R34-L38 VanDerWaalsContact O-CG 3.26Å; R34-L38 WeakPolarHBondContact O-CG 3.34Å; R34-L38 PolarHBondContact O-N 3.45Å; L38-I41 PolarHBondContact O-N 3.49Å; L38-F42 HydrophobicContact CB-CD2 4.14Å; L38-F42 HydrophobicContact CB-CE2 4.04Å; L38-F42 HydrophobicContact CD2-CE2 3.9Å; L38-F42 WeakPolarHBondContact O-CD2 2.95Å; L38-F42 PolarHBondContact O-N 3.4Å
39	N	62.1	Low	63.3	Low	113 Å²	113	102 Å²	102	60%	0.604	51%	0.513	S	S	*	.	H	α-helix	trans	-59.3	-50.1	-177.1	-161.8	13.7	0	0	0	113.8	L35 I41 F42 H43	L35-N39 WeakPolarHBondContact O-CB 3.46Å; L35-N39 PolarHBondContact O-N 3.02Å; N39-I41 VanDerWaalsContact C-N 3.31Å; N39-I41 PolarHBondContact O-N 3.42Å; N39-F42 PolarHBondContact O-N 2.97Å; N39-H43 WeakPolarHBondContact O-CB 3.48Å; N39-H43 PolarHBondContact O-N 3.41Å
40	P	63.5	Low	63.1	Low	68 Å²	68	99.5 Å²	99.5	44%	0.442	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-32.8	175.8	25.3	-33.7	0	0	0	112.2	W36 I37 H43 V44	W36-P40 WeakPolarHBondContact O-CD 3.43Å; W36-P40 VanDerWaalsContact O-CG 3.24Å; W36-P40 WeakPolarHBondContact O-CG 3.49Å; I37-P40 VanDerWaalsContact O-CD 3.31Å; I37-P40 WeakPolarHBondContact O-CD 3.34Å; I37-P40 WeakPolarHBondContact O-CG 3.11Å; P40-H43 PolarHBondContact O-N 2.92Å; P40-V44 WeakPolarHBondContact O-CB 3.23Å; P40-V44 WeakPolarHBondContact O-CG2 3.46Å; P40-V44 PolarHBondContact O-N 3.37Å
41	I	68.1	Low	62.7	Low	89 Å²	89	100 Å²	100	46%	0.456	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-46.3	176.6	-64.8	169.4	0	0	0	110.5	I37 L38 N39 H43 V44 V45	I37-I41 HydrophobicContact CG2-CD1 3.8Å; I37-I41 WeakPolarHBondContact O-CD1 3.33Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.26Å; L38-I41 PolarHBondContact O-N 3.49Å; N39-I41 VanDerWaalsContact C-N 3.31Å; N39-I41 PolarHBondContact O-N 3.42Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-H43 PolarHBondContact O-N 3.45Å; I41-V44 PolarHBondContact O-N 3.2Å; I41-V45 HydrophobicContact CG2-CG2 4.3Å; I41-V45 WeakPolarHBondContact O-CB 3.47Å; I41-V45 VanDerWaalsContact O-CG2 3.23Å; I41-V45 WeakPolarHBondContact O-CG2 3.4Å; I41-V45 PolarHBondContact O-N 2.9Å
42	F	64.5	Low	62.3	Low	142 Å²	142	98.7 Å²	98.7	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-63.5	-37.8	175.8	-78.5	-67.2	0	0	0	112.1	L38 N39 G46	L38-F42 HydrophobicContact CB-CD2 4.14Å; L38-F42 HydrophobicContact CB-CE2 4.04Å; L38-F42 HydrophobicContact CD2-CE2 3.9Å; L38-F42 WeakPolarHBondContact O-CD2 2.95Å; L38-F42 PolarHBondContact O-N 3.4Å; N39-F42 PolarHBondContact O-N 2.97Å; F42-G46 PolarHBondContact O-N 3.34Å
43	H	66.9	Low	62	Low	128 Å²	128	98 Å²	98	59%	0.593	51%	0.513	S	S	*	.	H	α-helix	trans	-66.9	-42.5	176.6	-155.8	-66	0	0	0	111.9	N39 P40 I41 G46 C47	N39-H43 WeakPolarHBondContact O-CB 3.48Å; N39-H43 PolarHBondContact O-N 3.41Å; P40-H43 PolarHBondContact O-N 2.92Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-H43 PolarHBondContact O-N 3.45Å; H43-G46 PolarHBondContact O-N 3.44Å; H43-C47 PolarHBondContact ND1-SG 2.84Å; H43-C47 WeakPolarHBondContact O-CB 3.24Å; H43-C47 PolarHBondContact O-N 3.46Å; H43-C47 PolarHBondContact O-SG 3.46Å
44	V	68.2	Low	61.3	Low	80 Å²	80	98.4 Å²	98.4	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-67	-44.6	177.1	170.4	0	0	0	0	110.8	P40 I41 C47 I48	P40-V44 WeakPolarHBondContact O-CB 3.23Å; P40-V44 WeakPolarHBondContact O-CG2 3.46Å; P40-V44 PolarHBondContact O-N 3.37Å; I41-V44 PolarHBondContact O-N 3.2Å; V44-C47 PolarHBondContact O-N 2.86Å; V44-I48 HydrophobicContact CG1-CD1 3.44Å; V44-I48 VanDerWaalsContact CG1-CD1 3.44Å; V44-I48 HydrophobicContact CG1-CG1 4.24Å; V44-I48 VanDerWaalsContact O-CB 3.3Å; V44-I48 WeakPolarHBondContact O-CB 3.16Å; V44-I48 WeakPolarHBondContact O-CG1 3.4Å; V44-I48 PolarHBondContact O-N 3.28Å
45	V	66.2	Low	60.8	Low	69 Å²	69	99 Å²	99	42%	0.418	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-41.8	176	173.2	0	0	0	0	110.7	I41 I48 F49	I41-V45 HydrophobicContact CG2-CG2 4.3Å; I41-V45 WeakPolarHBondContact O-CB 3.47Å; I41-V45 VanDerWaalsContact O-CG2 3.23Å; I41-V45 WeakPolarHBondContact O-CG2 3.4Å; I41-V45 PolarHBondContact O-N 2.9Å; V45-I48 PolarHBondContact O-N 2.7Å; V45-F49 HydrophobicContact CB-CD2 4.39Å; V45-F49 HydrophobicContact CG1-CD2 3.81Å; V45-F49 HydrophobicContact CG1-CE2 4.4Å; V45-F49 WeakPolarHBondContact O-CB 3.38Å; V45-F49 WeakPolarHBondContact O-CD2 3.41Å; V45-F49 PolarHBondContact O-N 3.01Å
46	G	59.6	Low	60.7	Low	28 Å²	28	98 Å²	98	29%	0.289	52%	0.52	S	S	.	.	I	π-helix	trans	-60.1	-48.5	174.3	0	0	0	0	0	112.6	F42 H43 V50 A51	F42-G46 PolarHBondContact O-N 3.34Å; H43-G46 PolarHBondContact O-N 3.44Å; G46-V50 WeakPolarHBondContact O-CA 3.21Å; G46-V50 WeakPolarHBondContact O-CB 3.49Å; G46-V50 PolarHBondContact O-N 2.83Å; G46-A51 PolarHBondContact O-N 3.41Å
47	C	63.2	Low	60.3	Low	71 Å²	71	91.8 Å²	91.8	48%	0.48	51%	0.506	S	S	.	.	I	π-helix	trans	-68.1	-36.8	178.9	-68.4	0	0	0	0	113	H43 V44 A51	H43-C47 PolarHBondContact ND1-SG 2.84Å; H43-C47 WeakPolarHBondContact O-CB 3.24Å; H43-C47 PolarHBondContact O-N 3.46Å; H43-C47 PolarHBondContact O-SG 3.46Å; V44-C47 PolarHBondContact O-N 2.86Å; C47-A51 WeakPolarHBondContact O-CB 3.19Å
48	I	62.6	Low	59.8	Low	100 Å²	100	92.7 Å²	92.7	51%	0.513	51%	0.508	S	S	.	.	I	π-helix	trans	-80.5	-36.1	-177.6	-66.5	175	0	0	0	111.9	V44 V45 P52	V44-I48 HydrophobicContact CG1-CD1 3.44Å; V44-I48 VanDerWaalsContact CG1-CD1 3.44Å; V44-I48 HydrophobicContact CG1-CG1 4.24Å; V44-I48 VanDerWaalsContact O-CB 3.3Å; V44-I48 WeakPolarHBondContact O-CB 3.16Å; V44-I48 WeakPolarHBondContact O-CG1 3.4Å; V44-I48 PolarHBondContact O-N 3.28Å; V45-I48 PolarHBondContact O-N 2.7Å; I48-P52 WeakPolarHBondContact O-CD 3.32Å; I48-P52 WeakPolarHBondContact O-CG 3.37Å
49	F	61.4	Low	59.4	Low	138 Å²	138	91.8 Å²	91.8	61%	0.605	51%	0.506	S	S	*	.	I	π-helix	trans	-103.4	-31.2	-173.9	-68.8	-87.6	0	0	0	113.7	V45 V53	V45-F49 HydrophobicContact CB-CD2 4.39Å; V45-F49 HydrophobicContact CG1-CD2 3.81Å; V45-F49 HydrophobicContact CG1-CE2 4.4Å; V45-F49 WeakPolarHBondContact O-CB 3.38Å; V45-F49 WeakPolarHBondContact O-CD2 3.41Å; V45-F49 PolarHBondContact O-N 3.01Å; F49-V53 WeakPolarHBondContact O-CG2 3.3Å
50	V	56.9	Low	59.1	Low	83 Å²	83	89.6 Å²	89.6	50%	0.503	50%	0.5	S	S	.	.	I	π-helix	trans	-92.2	-35.5	-177.6	-171.8	0	0	0	0	111.7	G46 V53 N54	G46-V50 WeakPolarHBondContact O-CA 3.21Å; G46-V50 WeakPolarHBondContact O-CB 3.49Å; G46-V50 PolarHBondContact O-N 2.83Å; V50-V53 PolarHBondContact O-N 3.47Å; V50-N54 PolarHBondContact O-N 2.95Å
51	A	53.7	Low	58.8	Low	54 Å²	54	89.7 Å²	89.7	45%	0.446	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-40.6	178.6	0	0	0	0	0	114.1	G46 C47 V53 F55	G46-A51 PolarHBondContact O-N 3.41Å; C47-A51 WeakPolarHBondContact O-CB 3.19Å; A51-V53 VanDerWaalsContact C-N 3.34Å; A51-V53 PolarHBondContact O-N 2.9Å; A51-F55 WeakPolarHBondContact O-CB 3.22Å; A51-F55 PolarHBondContact O-N 3.37Å
52	P	53.4	Low	58.1	Low	64 Å²	64	92.2 Å²	92.2	42%	0.416	50%	0.503	S	S	.	.	H	α-helix	trans	-69.3	-33	176	-7.3	19.1	0	0	0	112	I48 F55 V56	I48-P52 WeakPolarHBondContact O-CD 3.32Å; I48-P52 WeakPolarHBondContact O-CG 3.37Å; P52-F55 PolarHBondContact O-N 3.24Å; P52-V56 WeakPolarHBondContact O-CB 3.32Å; P52-V56 WeakPolarHBondContact O-CG2 3.14Å; P52-V56 PolarHBondContact O-N 3.43Å
53	V	54.1	Low	57.7	Low	88 Å²	88	89.1 Å²	89.1	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-67.9	-42.5	178.7	178.2	0	0	0	0	110.4	F49 V50 A51 F55 V56 V57	F49-V53 WeakPolarHBondContact O-CG2 3.3Å; V50-V53 PolarHBondContact O-N 3.47Å; A51-V53 VanDerWaalsContact C-N 3.34Å; A51-V53 PolarHBondContact O-N 2.9Å; V53-F55 VanDerWaalsContact C-N 3.34Å; V53-F55 PolarHBondContact O-N 3.35Å; V53-V56 PolarHBondContact O-N 3.03Å; V53-V57 VanDerWaalsContact O-CG2 3.3Å; V53-V57 WeakPolarHBondContact O-CG2 3.37Å; V53-V57 PolarHBondContact O-N 2.87Å
54	N	51.6	Low	57.1	Low	109 Å²	109	89.3 Å²	89.3	58%	0.583	50%	0.497	S	S	*	.	H	α-helix	trans	-64.4	-38	172.6	-82.8	-26.7	0	0	0	112.1	V50 H58	V50-N54 PolarHBondContact O-N 2.95Å; N54-H58 WeakPolarHBondContact O-CB 3.42Å; N54-H58 PolarHBondContact O-N 2.85Å
55	F	52.7	Low	56.4	Low	149 Å²	149	92.9 Å²	92.9	65%	0.654	50%	0.502	S	S	*	.	H	α-helix	trans	-67.9	-42.1	176.9	-168.4	-100.1	0	0	0	112.5	A51 P52 V53 H58 V59	A51-F55 WeakPolarHBondContact O-CB 3.22Å; A51-F55 PolarHBondContact O-N 3.37Å; P52-F55 PolarHBondContact O-N 3.24Å; V53-F55 VanDerWaalsContact C-N 3.34Å; V53-F55 PolarHBondContact O-N 3.35Å; F55-H58 PolarHBondContact O-N 3.38Å; F55-V59 HydrophobicContact CD1-CG2 3.94Å; F55-V59 HydrophobicContact CE1-CG2 3.64Å; F55-V59 HydrophobicContact CE2-CG2 4.35Å; F55-V59 HydrophobicContact CG-CG2 4.42Å; F55-V59 HydrophobicContact CZ-CG2 3.87Å; F55-V59 WeakPolarHBondContact O-CB 3.38Å; F55-V59 VanDerWaalsContact O-CG2 3.24Å; F55-V59 WeakPolarHBondContact O-CG2 3.2Å; F55-V59 PolarHBondContact O-N 3.38Å
56	V	56.4	Low	55.8	Low	89 Å²	89	94.2 Å²	94.2	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-64.2	-44.7	177.9	169.2	0	0	0	0	110.7	P52 V53 H58 V59 S60	P52-V56 WeakPolarHBondContact O-CB 3.32Å; P52-V56 WeakPolarHBondContact O-CG2 3.14Å; P52-V56 PolarHBondContact O-N 3.43Å; V53-V56 PolarHBondContact O-N 3.03Å; V56-H58 PolarHBondContact O-N 3.3Å; V56-V59 PolarHBondContact O-N 2.89Å; V56-S60 WeakPolarHBondContact O-CB 2.94Å; V56-S60 PolarHBondContact O-N 2.96Å; V56-S60 PolarHBondContact O-OG 3.26Å
57	V	54.6	Low	55.7	Low	85 Å²	85	97.1 Å²	97.1	52%	0.515	52%	0.515	S	S	.	.	H	α-helix	trans	-64.2	-42.3	176.9	175.1	0	0	0	0	111.1	V53 S60 V61	V53-V57 VanDerWaalsContact O-CG2 3.3Å; V53-V57 WeakPolarHBondContact O-CG2 3.37Å; V53-V57 PolarHBondContact O-N 2.87Å; V57-S60 PolarHBondContact O-N 3.43Å; V57-V61 VanDerWaalsContact O-CG2 3.28Å; V57-V61 WeakPolarHBondContact O-CG2 3.4Å; V57-V61 PolarHBondContact O-N 3.47Å
58	H	54.3	Low	55.4	Low	117 Å²	117	97.8 Å²	97.8	54%	0.542	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-46.2	177.8	-133.8	-114.8	0	0	0	111.3	N54 F55 V56 V61 Y62	N54-H58 WeakPolarHBondContact O-CB 3.42Å; N54-H58 PolarHBondContact O-N 2.85Å; F55-H58 PolarHBondContact O-N 3.38Å; V56-H58 PolarHBondContact O-N 3.3Å; H58-V61 PolarHBondContact O-N 3.03Å; H58-Y62 AromaticContact CE1-CE2 3.61Å; H58-Y62 AromaticContact ND1-CD2 3.93Å; H58-Y62 AromaticContact ND1-CE2 3.41Å; H58-Y62 WeakPolarHBondContact ND1-CE2 3.3Å; H58-Y62 WeakPolarHBondContact O-CD2 3.06Å; H58-Y62 PolarHBondContact O-N 2.81Å
59	V	54.2	Low	54.9	Low	64 Å²	64	100.6 Å²	100.6	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-41	178.6	173.6	0	0	0	0	111.4	F55 V56 V61 Y62 V63	F55-V59 HydrophobicContact CD1-CG2 3.94Å; F55-V59 HydrophobicContact CE1-CG2 3.64Å; F55-V59 HydrophobicContact CE2-CG2 4.35Å; F55-V59 HydrophobicContact CG-CG2 4.42Å; F55-V59 HydrophobicContact CZ-CG2 3.87Å; F55-V59 WeakPolarHBondContact O-CB 3.38Å; F55-V59 VanDerWaalsContact O-CG2 3.24Å; F55-V59 WeakPolarHBondContact O-CG2 3.2Å; F55-V59 PolarHBondContact O-N 3.38Å; V56-V59 PolarHBondContact O-N 2.89Å; V59-V61 VanDerWaalsContact C-N 3.33Å; V59-V61 PolarHBondContact O-N 3.45Å; V59-Y62 PolarHBondContact O-N 3.48Å; V59-V63 HydrophobicContact CG1-CG2 4.12Å; V59-V63 VanDerWaalsContact O-CG2 3.29Å; V59-V63 WeakPolarHBondContact O-CG2 3.16Å; V59-V63 PolarHBondContact O-N 3.29Å
60	S	55.3	Low	54.5	Low	67 Å²	67	100 Å²	100	47%	0.469	52%	0.515	S	S	.	.	H	α-helix	trans	-59.8	-42.7	175.5	-69	0	0	0	0	112	V56 V57 Y62 V63 E64	V56-S60 WeakPolarHBondContact O-CB 2.94Å; V56-S60 PolarHBondContact O-N 2.96Å; V56-S60 PolarHBondContact O-OG 3.26Å; V57-S60 PolarHBondContact O-N 3.43Å; S60-Y62 VanDerWaalsContact C-N 3.35Å; S60-Y62 PolarHBondContact O-N 3.18Å; S60-V63 PolarHBondContact O-N 3.04Å; S60-E64 WeakPolarHBondContact O-CB 3.28Å; S60-E64 PolarHBondContact O-N 3.44Å
61	V	56	Low	54.3	Low	69 Å²	69	100.7 Å²	100.7	42%	0.418	52%	0.52	S	S	.	.	H	α-helix	trans	-66.6	-35.8	176.5	173.8	0	0	0	0	111.8	V57 H58 V59 R65	V57-V61 VanDerWaalsContact O-CG2 3.28Å; V57-V61 WeakPolarHBondContact O-CG2 3.4Å; V57-V61 PolarHBondContact O-N 3.47Å; H58-V61 PolarHBondContact O-N 3.03Å; V59-V61 VanDerWaalsContact C-N 3.33Å; V59-V61 PolarHBondContact O-N 3.45Å; V61-R65 WeakPolarHBondContact O-CG 3.44Å; V61-R65 PolarHBondContact O-N 3.14Å
62	Y	54.3	Low	54.2	Low	142 Å²	142	101.9 Å²	101.9	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-71	-39.2	175.5	-87.2	-74.4	0	0	0	113	H58 V59 S60 L66	H58-Y62 AromaticContact CE1-CE2 3.61Å; H58-Y62 AromaticContact ND1-CD2 3.93Å; H58-Y62 AromaticContact ND1-CE2 3.41Å; H58-Y62 WeakPolarHBondContact ND1-CE2 3.3Å; H58-Y62 WeakPolarHBondContact O-CD2 3.06Å; H58-Y62 PolarHBondContact O-N 2.81Å; V59-Y62 PolarHBondContact O-N 3.48Å; S60-Y62 VanDerWaalsContact C-N 3.35Å; S60-Y62 PolarHBondContact O-N 3.18Å; Y62-L66 PolarHBondContact O-N 3.5Å
63	V	56.1	Low	54.2	Low	77 Å²	77	104.7 Å²	104.7	47%	0.467	53%	0.531	S	S	.	.	H	α-helix	trans	-67.5	-43.9	177.6	172.5	0	0	0	0	110.7	V59 S60 R65 L66 D67	V59-V63 HydrophobicContact CG1-CG2 4.12Å; V59-V63 VanDerWaalsContact O-CG2 3.29Å; V59-V63 WeakPolarHBondContact O-CG2 3.16Å; V59-V63 PolarHBondContact O-N 3.29Å; S60-V63 PolarHBondContact O-N 3.04Å; V63-R65 VanDerWaalsContact C-N 3.33Å; V63-R65 PolarHBondContact O-N 3.47Å; V63-L66 PolarHBondContact O-N 3.35Å; V63-L66 VanDerWaalsContact O-N 3.12Å; V63-D67 PolarHBondContact O-N 3.07Å
64	E	53.2	Low	54.1	Low	132 Å²	132	109.3 Å²	109.3	62%	0.617	54%	0.544	S	S	*	.	H	α-helix	trans	-61.7	-40.8	177.8	-167.9	177.5	176.5	0	0	111.7	S60 D67 I68	S60-E64 WeakPolarHBondContact O-CB 3.28Å; S60-E64 PolarHBondContact O-N 3.44Å; E64-D67 PolarHBondContact O-N 3.28Å; E64-I68 HydrophobicContact CG-CD1 4.45Å; E64-I68 WeakPolarHBondContact O-CD1 3.37Å; E64-I68 VanDerWaalsContact O-CG1 3.26Å; E64-I68 WeakPolarHBondContact O-CG1 3.38Å; E64-I68 PolarHBondContact O-N 3.39Å; E64-I68 VanDerWaalsContact O-N 3.12Å
65	R	54.1	Low	54.1	Low	155 Å²	155	105.4 Å²	105.4	59%	0.585	53%	0.526	S	S	*	.	H	α-helix	trans	-64.5	-40.6	173.5	-75.3	-174.2	-177.4	-116.3	2.2	112.3	V61 V63 D67 I68 Y69	V61-R65 WeakPolarHBondContact O-CG 3.44Å; V61-R65 PolarHBondContact O-N 3.14Å; V63-R65 VanDerWaalsContact C-N 3.33Å; V63-R65 PolarHBondContact O-N 3.47Å; R65-D67 PolarHBondContact O-N 2.93Å; R65-I68 PolarHBondContact O-N 3.48Å; R65-Y69 WeakPolarHBondContact O-CD2 3.37Å; R65-Y69 PolarHBondContact O-N 3.4Å
66	L	54.9	Low	54.2	Low	97 Å²	97	102.3 Å²	102.3	51%	0.508	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-36.3	-180	-113.9	128.5	0	0	0	112.9	Y62 V63 Y69 K70	Y62-L66 PolarHBondContact O-N 3.5Å; V63-L66 PolarHBondContact O-N 3.35Å; V63-L66 VanDerWaalsContact O-N 3.12Å; L66-Y69 PolarHBondContact O-N 3.49Å; L66-K70 WeakPolarHBondContact O-CG 3.41Å; L66-K70 PolarHBondContact O-N 3.02Å
67	D	57.4	Low	54.3	Low	89 Å²	89	102.6 Å²	102.6	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-69.9	-38.8	174.6	-81.9	-20.6	0	0	0	111.7	V63 E64 R65 Y69 K70 T71	V63-D67 PolarHBondContact O-N 3.07Å; E64-D67 PolarHBondContact O-N 3.28Å; R65-D67 PolarHBondContact O-N 2.93Å; D67-Y69 PolarHBondContact O-N 3.36Å; D67-K70 PolarHBondContact O-N 2.99Å; D67-T71 WeakPolarHBondContact O-CB 3.35Å; D67-T71 PolarHBondContact O-N 2.97Å; D67-T71 PolarHBondContact O-OG1 3.48Å
68	I	56.9	Low	54.4	Low	85 Å²	85	104.6 Å²	104.6	44%	0.436	54%	0.535	S	S	.	.	H	α-helix	trans	-58.5	-49	170.7	-65.2	165.3	0	0	0	109.5	E64 R65 K70 T71 F72	E64-I68 HydrophobicContact CG-CD1 4.45Å; E64-I68 WeakPolarHBondContact O-CD1 3.37Å; E64-I68 VanDerWaalsContact O-CG1 3.26Å; E64-I68 WeakPolarHBondContact O-CG1 3.38Å; E64-I68 PolarHBondContact O-N 3.39Å; E64-I68 VanDerWaalsContact O-N 3.12Å; R65-I68 PolarHBondContact O-N 3.48Å; I68-K70 PolarHBondContact O-N 3.03Å; I68-T71 PolarHBondContact O-N 3.45Å; I68-T71 VanDerWaalsContact O-N 3.14Å; I68-F72 HydrophobicContact CG2-CD2 3.61Å; I68-F72 HydrophobicContact CG2-CE2 3.69Å; I68-F72 VanDerWaalsContact O-CD2 3.28Å; I68-F72 WeakPolarHBondContact O-CD2 3.27Å; I68-F72 PolarHBondContact O-N 2.86Å
69	Y	50.7	Low	54.6	Low	159 Å²	159	103.2 Å²	103.2	62%	0.624	53%	0.531	S	S	*	.	H	α-helix	trans	-60.3	-41.5	177.9	-84.8	-74.6	0	0	0	113.4	R65 L66 D67 T71 F72 V73	R65-Y69 WeakPolarHBondContact O-CD2 3.37Å; R65-Y69 PolarHBondContact O-N 3.4Å; L66-Y69 PolarHBondContact O-N 3.49Å; D67-Y69 PolarHBondContact O-N 3.36Å; Y69-T71 VanDerWaalsContact C-N 3.31Å; Y69-T71 PolarHBondContact O-N 3Å; Y69-F72 PolarHBondContact O-N 2.89Å; Y69-V73 WeakPolarHBondContact O-CB 3.38Å; Y69-V73 VanDerWaalsContact O-CG2 3.23Å; Y69-V73 WeakPolarHBondContact O-CG2 3.49Å; Y69-V73 PolarHBondContact O-N 3.41Å
70	K	53.4	Low	54.6	Low	125 Å²	125	103.1 Å²	103.1	54%	0.543	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-35.2	175.9	-76.8	177.3	-178	170.4	0	112.6	L66 D67 I68 K74	L66-K70 WeakPolarHBondContact O-CG 3.41Å; L66-K70 PolarHBondContact O-N 3.02Å; D67-K70 PolarHBondContact O-N 2.99Å; I68-K70 PolarHBondContact O-N 3.03Å; K70-K74 PolarHBondContact O-N 2.99Å; K70-K74 VanDerWaalsContact O-N 3.16Å
71	T	53.2	Low	54.7	Low	98 Å²	98	104.6 Å²	104.6	60%	0.601	53%	0.531	S	S	*	.	H	α-helix	trans	-69.5	-38.7	176.7	-45.2	0	0	0	0	110.9	D67 I68 Y69 A75	D67-T71 WeakPolarHBondContact O-CB 3.35Å; D67-T71 PolarHBondContact O-N 2.97Å; D67-T71 PolarHBondContact O-OG1 3.48Å; I68-T71 PolarHBondContact O-N 3.45Å; I68-T71 VanDerWaalsContact O-N 3.14Å; Y69-T71 VanDerWaalsContact C-N 3.31Å; Y69-T71 PolarHBondContact O-N 3Å; T71-A75 WeakPolarHBondContact O-CB 3.26Å; T71-A75 PolarHBondContact O-N 3.2Å
72	F	50.9	Low	55	Low	79 Å²	79	107.9 Å²	107.9	35%	0.346	54%	0.539	S	S	.	.	H	α-helix	trans	-71.9	-34.6	175.6	-89.1	-92	0	0	0	113.3	I68 Y69 L80 H83	I68-F72 HydrophobicContact CG2-CD2 3.61Å; I68-F72 HydrophobicContact CG2-CE2 3.69Å; I68-F72 VanDerWaalsContact O-CD2 3.28Å; I68-F72 WeakPolarHBondContact O-CD2 3.27Å; I68-F72 PolarHBondContact O-N 2.86Å; Y69-F72 PolarHBondContact O-N 2.89Å; F72-L80 HydrophobicContact CB-CD1 4.35Å; F72-L80 HydrophobicContact CD1-CD1 3.76Å; F72-L80 HydrophobicContact CD1-CG 3.77Å; F72-L80 HydrophobicContact CE1-CG 4.2Å; F72-L80 VanDerWaalsContact O-CD1 3.3Å; F72-L80 WeakPolarHBondContact O-CD1 3.19Å; F72-H83 HydrophobicContact CE1-CB 4.28Å; F72-H83 HydrophobicContact CZ-CB 4.39Å
73	V	53.6	Low	55.3	Low	123 Å²	123	105.8 Å²	105.8	75%	0.745	53%	0.534	S	S	*	.	H	α-helix	trans	-76.8	-25.2	178.7	173.3	0	0	0	0	112.7	Y69	Y69-V73 WeakPolarHBondContact O-CB 3.38Å; Y69-V73 VanDerWaalsContact O-CG2 3.23Å; Y69-V73 WeakPolarHBondContact O-CG2 3.49Å; Y69-V73 PolarHBondContact O-N 3.41Å
74	K	53.3	Low	55.4	Low	186 Å²	186	107.4 Å²	107.4	81%	0.809	54%	0.539	S	S	*	.	H	α-helix	trans	-90.5	-9.9	173.3	-81.9	-177.1	176.1	-179.3	0	114.2	K70	K70-K74 PolarHBondContact O-N 2.99Å; K70-K74 VanDerWaalsContact O-N 3.16Å
75	A	50.1	Low	55.7	Low	26 Å²	26	106.8 Å²	106.8	22%	0.215	54%	0.538	C	S	.	.	S	Bend	trans	-74	127.8	178.4	0	0	0	0	0	109.9	T71 S77 L79	T71-A75 WeakPolarHBondContact O-CB 3.26Å; T71-A75 PolarHBondContact O-N 3.2Å; A75-S77 PolarHBondContact O-N 3.4Å; A75-L79 HydrophobicContact CB-CB 4.07Å
76	P	55.6	Low	55.9	Low	85 Å²	85	105.4 Å²	105.4	55%	0.552	54%	0.54	S	S	*	.			trans	-56.3	138.4	171.5	23.6	-31.1	0	0	0	108.5	N78 L79	P76-N78 PolarHBondContact O-N 2.86Å; P76-L79 HydrophobicContact CG-CD1 4.41Å; P76-L79 PolarHBondContact O-N 3.06Å
77	S	59.1	Low	56.1	Low	95 Å²	95	103.5 Å²	103.5	66%	0.664	54%	0.538	S	S	*	.	H	α-helix	trans	-41.1	-27.1	-174.3	43.2	0	0	0	0	115.6	A75 L79 L81	A75-S77 PolarHBondContact O-N 3.4Å; S77-L79 PolarHBondContact O-N 3.19Å; S77-L81 PolarHBondContact O-N 3.02Å
78	N	56.4	Low	56.1	Low	126 Å²	126	103.9 Å²	103.9	67%	0.674	54%	0.54	S	S	*	.	H	α-helix	trans	-66.4	-28.3	175.7	-66.1	-21	0	0	0	114.9	P76 K82	P76-N78 PolarHBondContact O-N 2.86Å; N78-K82 PolarHBondContact O-N 3.43Å
79	L	57.1	Low	56	Low	89 Å²	89	106.2 Å²	106.2	47%	0.466	55%	0.549	S	S	.	.	H	α-helix	trans	-81.9	-31.6	178.7	-114.3	120.1	0	0	0	112.5	A75 P76 S77 K82 H83	A75-L79 HydrophobicContact CB-CB 4.07Å; P76-L79 HydrophobicContact CG-CD1 4.41Å; P76-L79 PolarHBondContact O-N 3.06Å; S77-L79 PolarHBondContact O-N 3.19Å; L79-K82 PolarHBondContact O-N 3.32Å; L79-H83 PolarHBondContact O-N 2.92Å; L79-H83 PolarHBondContact O-ND1 3.06Å
80	L	54.9	Low	56.3	Low	61 Å²	61	106 Å²	106	32%	0.319	55%	0.554	S	S	.	*	H	α-helix	trans	-70	-40.3	178	-138.5	134.7	0	0	0	110.8	F72 K82 H83 L84	F72-L80 HydrophobicContact CB-CD1 4.35Å; F72-L80 HydrophobicContact CD1-CD1 3.76Å; F72-L80 HydrophobicContact CD1-CG 3.77Å; F72-L80 HydrophobicContact CE1-CG 4.2Å; F72-L80 VanDerWaalsContact O-CD1 3.3Å; F72-L80 WeakPolarHBondContact O-CD1 3.19Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 2.88Å; L80-H83 PolarHBondContact O-N 3.39Å; L80-L84 HydrophobicContact CD2-CD1 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.41Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.48Å
81	L	58.5	Low	56.3	Low	99 Å²	99	107.2 Å²	107.2	52%	0.518	56%	0.561	S	S	.	*	H	α-helix	trans	-62.7	-39.4	172.3	-159.3	76.5	0	0	0	111.6	S77 L84 M85	S77-L81 PolarHBondContact O-N 3.02Å; L81-L84 PolarHBondContact O-N 3.35Å; L81-M85 HydrophobicContact CD2-CE 4.23Å; L81-M85 HydrophobicContact CG-CE 4.32Å; L81-M85 HydrophobicContact CG-SD 4.49Å; L81-M85 WeakPolarHBondContact O-CB 3.24Å; L81-M85 VanDerWaalsContact O-CG 3.27Å; L81-M85 WeakPolarHBondContact O-CG 3.41Å; L81-M85 PolarHBondContact O-N 3.43Å
82	K	60.4	Low	56.2	Low	137 Å²	137	106.6 Å²	106.6	60%	0.596	55%	0.554	S	S	*	*	H	α-helix	trans	-66.4	-40	178.1	-133.1	179.6	-175.5	-175.4	0	112.5	N78 L79 L80 M85 M86	N78-K82 PolarHBondContact O-N 3.43Å; L79-K82 PolarHBondContact O-N 3.32Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 2.88Å; K82-M85 PolarHBondContact O-N 3.3Å; K82-M86 WeakPolarHBondContact O-CG 3.44Å; K82-M86 PolarHBondContact O-N 2.91Å
83	H	60.8	Low	56.4	Low	99 Å²	99	107.9 Å²	107.9	46%	0.458	56%	0.564	S	S	.	*	H	α-helix	trans	-69.6	-38.6	175.5	-79.1	78.8	0	0	0	112.2	F72 L79 L80 M86 A87	F72-H83 HydrophobicContact CE1-CB 4.28Å; F72-H83 HydrophobicContact CZ-CB 4.39Å; L79-H83 PolarHBondContact O-N 2.92Å; L79-H83 PolarHBondContact O-ND1 3.06Å; L80-H83 PolarHBondContact O-N 3.39Å; H83-M86 PolarHBondContact O-N 3.14Å; H83-A87 WeakPolarHBondContact O-CB 3.5Å; H83-A87 PolarHBondContact O-N 3.39Å
84	L	59.2	Low	56.4	Low	110 Å²	110	103.9 Å²	103.9	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-40.4	173.4	-76.9	164.5	0	0	0	112	L80 L81 A87 D88	L80-L84 HydrophobicContact CD2-CD1 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.41Å; L80-L84 WeakPolarHBondContact O-CG 3.29Å; L80-L84 PolarHBondContact O-N 3.48Å; L81-L84 PolarHBondContact O-N 3.35Å; L84-A87 PolarHBondContact O-N 2.94Å; L84-D88 PolarHBondContact O-N 3.32Å; L84-D88 VanDerWaalsContact O-N 3.14Å
85	M	58.6	Low	56.3	Low	120 Å²	120	99 Å²	99	59%	0.591	53%	0.533	S	S	*	.	H	α-helix	trans	-66.7	-33.7	175.2	-75.6	-179.7	164.8	0	0	113	L81 K82 Q89	L81-M85 HydrophobicContact CD2-CE 4.23Å; L81-M85 HydrophobicContact CG-CE 4.32Å; L81-M85 HydrophobicContact CG-SD 4.49Å; L81-M85 WeakPolarHBondContact O-CB 3.24Å; L81-M85 VanDerWaalsContact O-CG 3.27Å; L81-M85 WeakPolarHBondContact O-CG 3.41Å; L81-M85 PolarHBondContact O-N 3.43Å; K82-M85 PolarHBondContact O-N 3.3Å; M85-Q89 PolarHBondContact O-N 3.32Å
86	M	59.7	Low	56.2	Low	126 Å²	126	105.2 Å²	105.2	62%	0.621	56%	0.555	S	S	*	*	H	α-helix	trans	-75.2	-38.3	175.6	-75.2	-172.9	165.8	0	0	112.5	K82 H83 D88 Q89 E90	K82-M86 WeakPolarHBondContact O-CG 3.44Å; K82-M86 PolarHBondContact O-N 2.91Å; H83-M86 PolarHBondContact O-N 3.14Å; M86-D88 VanDerWaalsContact C-N 3.31Å; M86-D88 PolarHBondContact O-N 3.38Å; M86-Q89 PolarHBondContact O-N 3.47Å; M86-E90 PolarHBondContact O-N 3.49Å
87	A	58.5	Low	55.8	Low	57 Å²	57	111.3 Å²	111.3	47%	0.471	57%	0.567	S	S	.	*	H	α-helix	trans	-64.1	-35.9	176.3	0	0	0	0	0	112.4	H83 L84 Q91	H83-A87 WeakPolarHBondContact O-CB 3.5Å; H83-A87 PolarHBondContact O-N 3.39Å; L84-A87 PolarHBondContact O-N 2.94Å; A87-Q91 PolarHBondContact O-N 3.02Å
88	D	57.9	Low	55.3	Low	96 Å²	96	117.7 Å²	117.7	51%	0.513	58%	0.577	S	S	.	*	H	α-helix	trans	-70	-38.2	175.1	-162.2	43.3	0	0	0	111.7	L84 M86 Q91 L92	L84-D88 PolarHBondContact O-N 3.32Å; L84-D88 VanDerWaalsContact O-N 3.14Å; M86-D88 VanDerWaalsContact C-N 3.31Å; M86-D88 PolarHBondContact O-N 3.38Å; D88-Q91 PolarHBondContact O-N 3.12Å; D88-L92 WeakPolarHBondContact O-CB 3.28Å; D88-L92 WeakPolarHBondContact O-CD1 3.49Å; D88-L92 PolarHBondContact O-N 3.12Å
89	Q	54.5	Low	55.2	Low	135 Å²	135	118.7 Å²	118.7	63%	0.631	58%	0.58	S	S	*	*	H	α-helix	trans	-64	-41.8	174.4	-82.7	-120	-41.6	0	0	113.2	M85 M86 L92 I93	M85-Q89 PolarHBondContact O-N 3.32Å; M86-Q89 PolarHBondContact O-N 3.47Å; Q89-L92 PolarHBondContact O-N 2.95Å; Q89-I93 WeakPolarHBondContact O-CB 3.15Å; Q89-I93 WeakPolarHBondContact O-CD1 3.43Å; Q89-I93 WeakPolarHBondContact O-CG1 3.3Å; Q89-I93 PolarHBondContact O-N 2.96Å
90	E	56.3	Low	54.8	Low	155 Å²	155	128.5 Å²	128.5	72%	0.724	61%	0.611	S	S	*	*	H	α-helix	trans	-69.8	-34.8	178	-72.2	-162.6	151.2	0	0	112.5	M86 I93 G94	M86-E90 PolarHBondContact O-N 3.49Å; E90-I93 PolarHBondContact O-N 3.48Å; E90-G94 PolarHBondContact O-N 2.63Å
91	Q	53.6	Low	54.8	Low	149 Å²	149	131.9 Å²	131.9	70%	0.696	63%	0.626	S	S	*	*	H	α-helix	trans	-68.1	-36.1	172	-87.7	-161.3	-22.9	0	0	113	A87 D88 G94 T95	A87-Q91 PolarHBondContact O-N 3.02Å; D88-Q91 PolarHBondContact O-N 3.12Å; Q91-G94 PolarHBondContact O-N 2.82Å; Q91-T95 PolarHBondContact O-N 3.48Å; Q91-T95 PolarHBondContact O-OG1 2.76Å
92	L	50.7	Low	54.6	Low	85 Å²	85	133.6 Å²	133.6	45%	0.445	63%	0.631	S	S	.	*	H	α-helix	trans	-70.2	-31.6	174.5	-99.7	123.8	0	0	0	113.2	D88 Q89 K96	D88-L92 WeakPolarHBondContact O-CB 3.28Å; D88-L92 WeakPolarHBondContact O-CD1 3.49Å; D88-L92 PolarHBondContact O-N 3.12Å; Q89-L92 PolarHBondContact O-N 2.95Å; L92-K96 WeakPolarHBondContact O-CG 3.45Å; L92-K96 PolarHBondContact O-N 3.4Å
93	I	55.6	Low	54.3	Low	107 Å²	107	133.4 Å²	133.4	55%	0.549	63%	0.633	S	S	.	*	H	α-helix	trans	-76.2	-36	174.6	-66.8	163.1	0	0	0	110.5	Q89 E90 R97	Q89-I93 WeakPolarHBondContact O-CB 3.15Å; Q89-I93 WeakPolarHBondContact O-CD1 3.43Å; Q89-I93 WeakPolarHBondContact O-CG1 3.3Å; Q89-I93 PolarHBondContact O-N 2.96Å; E90-I93 PolarHBondContact O-N 3.48Å; I93-R97 PolarHBondContact O-N 3.19Å
94	G	53.9	Low	53.9	Low	38 Å²	38	135.4 Å²	135.4	39%	0.392	64%	0.644	S	S	.	*	H	α-helix	trans	-65.4	-42.2	174.5	0	0	0	0	0	113.4	E90 Q91 R97	E90-G94 PolarHBondContact O-N 2.63Å; Q91-G94 PolarHBondContact O-N 2.82Å; G94-R97 PolarHBondContact O-N 3.16Å
95	T	50.6	Low	53.6	Low	84 Å²	84	137 Å²	137	52%	0.515	65%	0.648	S	S	.	*	H	α-helix	trans	-74	-30.5	178.5	32.2	0	0	0	0	113.3	Q91 R97 W98 I99	Q91-T95 PolarHBondContact O-N 3.48Å; Q91-T95 PolarHBondContact O-OG1 2.76Å; T95-R97 VanDerWaalsContact C-N 3.29Å; T95-R97 PolarHBondContact O-N 3.31Å; T95-W98 PolarHBondContact O-N 3.45Å; T95-I99 WeakPolarHBondContact O-CD1 3.44Å; T95-I99 WeakPolarHBondContact O-CG1 3.23Å
96	K	47.5	Very low	53.2	Low	157 Å²	157	138.1 Å²	138.1	68%	0.683	65%	0.652	S	S	*	*	H	α-helix	trans	-71.9	-19.8	174.5	-78.6	-172.4	178.2	-178	0	114.2	L92 W98	L92-K96 WeakPolarHBondContact O-CG 3.45Å; L92-K96 PolarHBondContact O-N 3.4Å; K96-W98 VanDerWaalsContact C-N 3.28Å; K96-W98 PolarHBondContact O-N 2.89Å
97	R	48.8	Very low	52.8	Low	212 Å²	212	139 Å²	139	80%	0.8	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-8.3	177.1	-156.4	178.4	-104.4	-173	-3.9	113.4	I93 G94 T95	I93-R97 PolarHBondContact O-N 3.19Å; G94-R97 PolarHBondContact O-N 3.16Å; T95-R97 VanDerWaalsContact C-N 3.29Å; T95-R97 PolarHBondContact O-N 3.31Å
98	W	48.5	Very low	52.3	Low	230 Å²	230	145.3 Å²	145.3	87%	0.871	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	1.3	175.7	-73.5	88.6	0	0	0	114.2	T95 K96	T95-W98 PolarHBondContact O-N 3.45Å; K96-W98 VanDerWaalsContact C-N 3.28Å; K96-W98 PolarHBondContact O-N 2.89Å
99	I	53.3	Low	51.8	Low	146 Å²	146	149.4 Å²	149.4	75%	0.749	68%	0.681	S	S	*	*			trans	-114	19.4	-176.5	-56.5	169.3	0	0	0	112	T95	T95-I99 WeakPolarHBondContact O-CD1 3.44Å; T95-I99 WeakPolarHBondContact O-CG1 3.23Å
100	R	48.8	Very low	51.6	Low	295 Å²	295	150.7 Å²	150.7	100%	1.113	69%	0.685	S	S	*	*			trans	-134	0	168.2	-171.4	-174.8	-84.3	175.8	-7.1	109.3

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