A0A5K4F4X6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F4X6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 72 aa.

						>A0A5K4F4X6_SCHMA|A0A5K4F4X6
MLRIFALCEWFIHNIRMRLDRRPLILGKLTLKEIDNANQNIIKLVQVISSSIEMETLWRKHPKYRNGNTHES
					

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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	57.8	Low	71	Confident	147 Å²	147	104.8 Å²	104.8	72%	0.724	50%	0.497	S	S	*	.				0	-50.4	0	-66.7	-168.4	-170.8	0	0	114.4	R3 I4 F5	M1-R3 VanDerWaalsContact C-N 3.25Å; M1-R3 PolarHBondContact O-N 2.79Å; M1-R3 VanDerWaalsContact O-N 3.13Å; M1-I4 PolarHBondContact O-N 2.66Å; M1-F5 PolarHBondContact O-N 2.7Å
2	L	62.2	Low	71.4	Confident	157 Å²	157	101.3 Å²	101.3	82%	0.822	48%	0.482	S	S	*	.	H	α-helix	trans	-51.8	-37.4	-178.1	-70.8	171.5	0	0	0	114.6	F5 A6	L2-F5 PolarHBondContact O-N 3.32Å; L2-A6 PolarHBondContact O-N 3.46Å
3	R	71.3	Confident	72.2	Confident	219 Å²	219	101.4 Å²	101.4	83%	0.826	48%	0.482	S	S	*	.	H	α-helix	trans	-65	-40	176.9	-75.6	-177	155.8	168.3	-5.5	113.7	M1 A6 L7	M1-R3 VanDerWaalsContact C-N 3.25Å; M1-R3 PolarHBondContact O-N 2.79Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-A6 PolarHBondContact O-N 2.83Å; R3-L7 WeakPolarHBondContact O-CG 3.27Å; R3-L7 PolarHBondContact O-N 3.11Å; R3-L7 VanDerWaalsContact O-N 3.07Å
4	I	71.1	Confident	72.1	Confident	37 Å²	37	98.4 Å²	98.4	19%	0.19	47%	0.47	C	S	.	.	H	α-helix	trans	-68.1	-42.3	179.3	-61.4	173.7	0	0	0	109.6	M1 A6 L7 C8 I52	M1-I4 PolarHBondContact O-N 2.66Å; I4-A6 VanDerWaalsContact C-N 3.33Å; I4-A6 PolarHBondContact O-N 3.23Å; I4-L7 PolarHBondContact O-N 2.84Å; I4-C8 PolarHBondContact O-N 3.29Å; I4-C8 PolarHBondContact O-SG 2.8Å; I4-I52 HydrophobicContact CD1-CG1 4.39Å
5	F	68.9	Low	72.1	Confident	134 Å²	134	95.7 Å²	95.7	59%	0.588	46%	0.459	S	S	*	.	H	α-helix	trans	-60	-43.7	175.7	-169.3	-97.4	0	0	0	111.7	M1 L2 L7 C8 E9	M1-F5 PolarHBondContact O-N 2.7Å; L2-F5 PolarHBondContact O-N 3.32Å; F5-L7 VanDerWaalsContact C-N 3.33Å; F5-L7 PolarHBondContact O-N 3Å; F5-C8 PolarHBondContact O-N 3.38Å; F5-E9 HydrophobicContact CD1-CG 3.87Å; F5-E9 HydrophobicContact CE1-CG 3.45Å; F5-E9 VanDerWaalsContact CE1-CG 3.45Å; F5-E9 HydrophobicContact CZ-CG 3.82Å; F5-E9 WeakPolarHBondContact CZ-OE1 3.29Å; F5-E9 WeakPolarHBondContact O-CG 3.44Å; F5-E9 PolarHBondContact O-N 2.91Å
6	A	73.6	Confident	72.1	Confident	59 Å²	59	99.3 Å²	99.3	49%	0.488	47%	0.466	S	S	.	.	H	α-helix	trans	-61.6	-38.4	175.5	0	0	0	0	0	113	L2 R3 I4 W10	L2-A6 PolarHBondContact O-N 3.46Å; R3-A6 PolarHBondContact O-N 2.83Å; I4-A6 VanDerWaalsContact C-N 3.33Å; I4-A6 PolarHBondContact O-N 3.23Å; A6-W10 WeakPolarHBondContact O-CB 3.38Å; A6-W10 PolarHBondContact O-N 3.19Å
7	L	75.6	Confident	71.7	Confident	92 Å²	92	98.1 Å²	98.1	48%	0.482	46%	0.461	S	S	.	.	H	α-helix	trans	-65.6	-41.5	174.4	-70.6	173.1	0	0	0	111.7	R3 I4 F5 F11	R3-L7 WeakPolarHBondContact O-CG 3.27Å; R3-L7 PolarHBondContact O-N 3.11Å; R3-L7 VanDerWaalsContact O-N 3.07Å; I4-L7 PolarHBondContact O-N 2.84Å; F5-L7 VanDerWaalsContact C-N 3.33Å; F5-L7 PolarHBondContact O-N 3Å; L7-F11 VanDerWaalsContact O-CB 3.28Å; L7-F11 WeakPolarHBondContact O-CB 3.31Å; L7-F11 PolarHBondContact O-N 3.38Å
8	C	75.6	Confident	71.6	Confident	30 Å²	30	100.2 Å²	100.2	20%	0.203	46%	0.464	C	S	.	.	H	α-helix	trans	-64	-47.9	175.4	-66.2	0	0	0	0	111.8	I4 F5 F11 I12	I4-C8 PolarHBondContact O-N 3.29Å; I4-C8 PolarHBondContact O-SG 2.8Å; F5-C8 PolarHBondContact O-N 3.38Å; C8-F11 PolarHBondContact O-N 3.04Å; C8-I12 WeakPolarHBondContact O-CB 3.3Å; C8-I12 VanDerWaalsContact O-CG1 3.24Å; C8-I12 WeakPolarHBondContact O-CG1 3.48Å; C8-I12 PolarHBondContact O-N 2.84Å
9	E	74.6	Confident	71.1	Confident	77 Å²	77	99.9 Å²	99.9	36%	0.36	47%	0.466	S	S	.	.	H	α-helix	trans	-65.1	-43.2	178.5	-74	-61.5	148.1	0	0	112.3	F5 F11 I12 H13	F5-E9 HydrophobicContact CD1-CG 3.87Å; F5-E9 HydrophobicContact CE1-CG 3.45Å; F5-E9 VanDerWaalsContact CE1-CG 3.45Å; F5-E9 HydrophobicContact CZ-CG 3.82Å; F5-E9 WeakPolarHBondContact CZ-OE1 3.29Å; F5-E9 WeakPolarHBondContact O-CG 3.44Å; F5-E9 PolarHBondContact O-N 2.91Å; E9-F11 VanDerWaalsContact C-N 3.25Å; E9-F11 PolarHBondContact O-N 3.11Å; E9-I12 PolarHBondContact O-N 3.15Å; E9-H13 WeakPolarHBondContact O-CB 3.49Å; E9-H13 PolarHBondContact O-N 3.4Å
10	W	78	Confident	70.8	Confident	162 Å²	162	101.7 Å²	101.7	61%	0.614	48%	0.479	S	S	*	.	H	α-helix	trans	-60.2	-38.5	173.4	176.5	84.2	0	0	0	111.3	A6 H13 N14	A6-W10 WeakPolarHBondContact O-CB 3.38Å; A6-W10 PolarHBondContact O-N 3.19Å; W10-H13 WeakPolarHBondContact O-CB 3.45Å; W10-H13 PolarHBondContact O-N 3.46Å; W10-N14 VanDerWaalsContact CD2-ND2 3.31Å; W10-N14 WeakPolarHBondContact CZ2-ND2 3.49Å; W10-N14 PolarHBondContact NE1-ND2 3.31Å; W10-N14 PolarHBondContact O-N 3.19Å; W10-N14 PolarHBondContact O-ND2 3.13Å
11	F	72.6	Confident	70.4	Confident	39 Å²	39	105.5 Å²	105.5	17%	0.171	49%	0.489	C	S	.	.	H	α-helix	trans	-73.4	-44.4	178.7	-174.8	-100.6	0	0	0	112.8	L7 C8 E9 H13 N14 I15 L44	L7-F11 VanDerWaalsContact O-CB 3.28Å; L7-F11 WeakPolarHBondContact O-CB 3.31Å; L7-F11 PolarHBondContact O-N 3.38Å; C8-F11 PolarHBondContact O-N 3.04Å; E9-F11 VanDerWaalsContact C-N 3.25Å; E9-F11 PolarHBondContact O-N 3.11Å; F11-H13 PolarHBondContact O-N 2.84Å; F11-N14 CarbonylContact O-C 3.31Å; F11-N14 WeakPolarHBondContact O-CA 3.39Å; F11-N14 WeakPolarHBondContact O-CB 3.46Å; F11-N14 PolarHBondContact O-N 3.39Å; F11-I15 HydrophobicContact CD1-CD1 3.81Å; F11-I15 HydrophobicContact CD1-CG1 4.12Å; F11-I15 HydrophobicContact CE1-CD1 3.11Å; F11-I15 HydrophobicContact CE1-CG1 3.66Å; F11-I15 HydrophobicContact CZ-CD1 3.68Å; F11-I15 HydrophobicContact CZ-CG1 3.93Å; F11-I15 PolarHBondContact O-N 2.88Å; F11-L44 HydrophobicContact CB-CD1 3.95Å; F11-L44 HydrophobicContact CD1-CB 4.32Å; F11-L44 HydrophobicContact CD1-CD1 3.51Å; F11-L44 HydrophobicContact CD1-CD2 3.35Å; F11-L44 HydrophobicContact CD1-CG 3.85Å; F11-L44 HydrophobicContact CD2-CD1 4Å; F11-L44 HydrophobicContact CE1-CB 3.82Å; F11-L44 HydrophobicContact CE1-CD1 3.9Å; F11-L44 HydrophobicContact CE1-CD2 3.4Å; F11-L44 VanDerWaalsContact CE1-CD2 3.4Å; F11-L44 HydrophobicContact CE1-CG 3.85Å; F11-L44 HydrophobicContact CE2-CD1 4.37Å; F11-L44 HydrophobicContact CG-CD1 3.54Å; F11-L44 HydrophobicContact CG-CD2 4.26Å; F11-L44 HydrophobicContact CG-CG 4.37Å; F11-L44 HydrophobicContact CZ-CB 3.99Å; F11-L44 HydrophobicContact CZ-CD1 4.31Å; F11-L44 HydrophobicContact CZ-CD2 4.39Å; F11-L44 HydrophobicContact CZ-CG 4.42Å
12	I	76.1	Confident	70.7	Confident	63 Å²	63	102 Å²	102	32%	0.323	47%	0.468	S	S	.	.	H	α-helix	trans	-58	-40.1	173	-67.2	165.8	0	0	0	109.3	C8 E9 I15 R16	C8-I12 WeakPolarHBondContact O-CB 3.3Å; C8-I12 VanDerWaalsContact O-CG1 3.24Å; C8-I12 WeakPolarHBondContact O-CG1 3.48Å; C8-I12 PolarHBondContact O-N 2.84Å; E9-I12 PolarHBondContact O-N 3.15Å; I12-I15 PolarHBondContact O-N 3.13Å; I12-R16 HydrophobicContact CG2-CG 4.32Å; I12-R16 WeakPolarHBondContact O-CB 3.22Å; I12-R16 VanDerWaalsContact O-CG 3.29Å; I12-R16 WeakPolarHBondContact O-CG 3.28Å; I12-R16 PolarHBondContact O-N 2.85Å
13	H	80.8	Confident	70.5	Confident	102 Å²	102	99.8 Å²	99.8	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-59.6	-45.7	172.8	-178.3	81.1	0	0	0	111.6	E9 W10 F11 R16 M17	E9-H13 WeakPolarHBondContact O-CB 3.49Å; E9-H13 PolarHBondContact O-N 3.4Å; W10-H13 WeakPolarHBondContact O-CB 3.45Å; W10-H13 PolarHBondContact O-N 3.46Å; F11-H13 PolarHBondContact O-N 2.84Å; H13-R16 PolarHBondContact O-N 3.44Å; H13-M17 WeakPolarHBondContact O-CB 3.45Å; H13-M17 VanDerWaalsContact O-CG 3.22Å; H13-M17 WeakPolarHBondContact O-CG 3.49Å; H13-M17 PolarHBondContact O-N 3.48Å
14	N	71.2	Confident	69.8	Low	60 Å²	60	95.7 Å²	95.7	32%	0.321	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-39.4	175.7	-84.9	-82.4	0	0	0	113.4	W10 F11 R18	W10-N14 VanDerWaalsContact CD2-ND2 3.31Å; W10-N14 WeakPolarHBondContact CZ2-ND2 3.49Å; W10-N14 PolarHBondContact NE1-ND2 3.31Å; W10-N14 PolarHBondContact O-N 3.19Å; W10-N14 PolarHBondContact O-ND2 3.13Å; F11-N14 CarbonylContact O-C 3.31Å; F11-N14 WeakPolarHBondContact O-CA 3.39Å; F11-N14 WeakPolarHBondContact O-CB 3.46Å; F11-N14 PolarHBondContact O-N 3.39Å; N14-R18 VanDerWaalsContact O-CB 3.24Å; N14-R18 WeakPolarHBondContact O-CB 3.18Å; N14-R18 PolarHBondContact O-N 3.42Å
15	I	71.4	Confident	69.3	Low	58 Å²	58	100.2 Å²	100.2	30%	0.297	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-50.3	173.6	-73.3	-172.2	0	0	0	109.8	F11 I12 M17 R18 L19	F11-I15 HydrophobicContact CD1-CD1 3.81Å; F11-I15 HydrophobicContact CD1-CG1 4.12Å; F11-I15 HydrophobicContact CE1-CD1 3.11Å; F11-I15 HydrophobicContact CE1-CG1 3.66Å; F11-I15 HydrophobicContact CZ-CD1 3.68Å; F11-I15 HydrophobicContact CZ-CG1 3.93Å; F11-I15 PolarHBondContact O-N 2.88Å; I12-I15 PolarHBondContact O-N 3.13Å; I15-M17 PolarHBondContact O-N 3.33Å; I15-R18 CarbonylContact O-C 3.59Å; I15-R18 PolarHBondContact O-N 2.82Å; I15-L19 HydrophobicContact CG2-CD1 3.54Å; I15-L19 HydrophobicContact CG2-CG 4.03Å; I15-L19 WeakPolarHBondContact O-CB 3.43Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.36Å
16	R	72.3	Confident	68.7	Low	153 Å²	153	101.9 Å²	101.9	58%	0.577	49%	0.494	S	S	*	.	H	α-helix	trans	-56.1	-50.5	178.1	-75.1	176.6	-177.2	140.6	1.4	110.8	I12 H13 R18 L19 D20	I12-R16 HydrophobicContact CG2-CG 4.32Å; I12-R16 WeakPolarHBondContact O-CB 3.22Å; I12-R16 VanDerWaalsContact O-CG 3.29Å; I12-R16 WeakPolarHBondContact O-CG 3.28Å; I12-R16 PolarHBondContact O-N 2.85Å; H13-R16 PolarHBondContact O-N 3.44Å; R16-R18 PolarHBondContact O-N 2.95Å; R16-L19 PolarHBondContact O-N 2.82Å; R16-D20 VanDerWaalsContact O-CB 3.27Å; R16-D20 WeakPolarHBondContact O-CB 3.46Å; R16-D20 PolarHBondContact O-N 2.83Å
17	M	66.2	Low	68.1	Low	78 Å²	78	102.2 Å²	102.2	38%	0.384	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-27.6	176.7	-72.1	-64.4	-66.2	0	0	113.6	H13 I15 R21	H13-M17 WeakPolarHBondContact O-CB 3.45Å; H13-M17 VanDerWaalsContact O-CG 3.22Å; H13-M17 WeakPolarHBondContact O-CG 3.49Å; H13-M17 PolarHBondContact O-N 3.48Å; I15-M17 PolarHBondContact O-N 3.33Å; M17-R21 WeakPolarHBondContact O-CB 3.34Å; M17-R21 VanDerWaalsContact O-CG 3.28Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-NE 3.02Å
18	R	68.7	Low	67.8	Low	136 Å²	136	106.2 Å²	106.2	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-85.2	-30.2	177.3	-165.5	172.7	-158.6	170.4	4.9	112.5	N14 I15 R16 R22	N14-R18 VanDerWaalsContact O-CB 3.24Å; N14-R18 WeakPolarHBondContact O-CB 3.18Å; N14-R18 PolarHBondContact O-N 3.42Å; I15-R18 CarbonylContact O-C 3.59Å; I15-R18 PolarHBondContact O-N 2.82Å; R16-R18 PolarHBondContact O-N 2.95Å; R18-R22 WeakPolarHBondContact O-CG 3.47Å
19	L	63.1	Low	67.8	Low	96 Å²	96	110 Å²	110	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-75	-44.3	174.1	-70.8	175	0	0	0	110.9	I15 R16 R21 R22	I15-L19 HydrophobicContact CG2-CD1 3.54Å; I15-L19 HydrophobicContact CG2-CG 4.03Å; I15-L19 WeakPolarHBondContact O-CB 3.43Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.36Å; R16-L19 PolarHBondContact O-N 2.82Å; L19-R21 VanDerWaalsContact C-N 3.3Å; L19-R21 PolarHBondContact O-N 2.82Å; L19-R22 PolarHBondContact O-N 3.04Å; L19-R22 VanDerWaalsContact O-N 3.11Å
20	D	64	Low	68.3	Low	135 Å²	135	109.9 Å²	109.9	72%	0.722	54%	0.539	S	S	*	.	H	α-helix	trans	-64.8	-33.2	-179.8	-165.8	32.5	0	0	0	112.4	R16 R22	R16-D20 VanDerWaalsContact O-CB 3.27Å; R16-D20 WeakPolarHBondContact O-CB 3.46Å; R16-D20 PolarHBondContact O-N 2.83Å; D20-R22 VanDerWaalsContact C-N 3.32Å; D20-R22 PolarHBondContact O-N 3.34Å
21	R	63.9	Low	68.7	Low	182 Å²	182	108.8 Å²	108.8	69%	0.687	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.4	175.3	-74.6	-171.2	-75.2	-179.6	-6.6	114.7	M17 L19	M17-R21 WeakPolarHBondContact O-CB 3.34Å; M17-R21 VanDerWaalsContact O-CG 3.28Å; M17-R21 WeakPolarHBondContact O-CG 3.39Å; M17-R21 PolarHBondContact O-NE 3.02Å; L19-R21 VanDerWaalsContact C-N 3.3Å; L19-R21 PolarHBondContact O-N 2.82Å
22	R	62.9	Low	69.4	Low	73 Å²	73	114.5 Å²	114.5	28%	0.275	57%	0.569	S	S	.	*	S	Bend	trans	-91.3	125.7	173.6	-70.9	178.7	-169.2	-157.8	8.2	106.9	R18 L19 D20 L24 E33	R18-R22 WeakPolarHBondContact O-CG 3.47Å; L19-R22 PolarHBondContact O-N 3.04Å; L19-R22 VanDerWaalsContact O-N 3.11Å; D20-R22 VanDerWaalsContact C-N 3.32Å; D20-R22 PolarHBondContact O-N 3.34Å; R22-L24 PolarHBondContact O-N 2.94Å; R22-E33 IonicContact NH1-OE1 3.12Å; R22-E33 PolarHBondContact NH1-OE1 3.37Å; R22-E33 VanDerWaalsContact NH1-OE1 3.11Å
23	P	58.2	Low	69.8	Low	111 Å²	111	113.9 Å²	113.9	72%	0.721	57%	0.565	S	S	*	*			trans	-56.4	112.4	168.4	25.1	-31.3	0	0	0	105.9	I25	P23-I25 PolarHBondContact O-N 2.94Å
24	L	56.4	Low	69.9	Low	132 Å²	132	112.2 Å²	112.2	69%	0.691	56%	0.558	S	S	*	*			trans	-62.7	81.4	165.1	-74.8	159.9	0	0	0	105.1	R22 L26	R22-L24 PolarHBondContact O-N 2.94Å; L24-L26 PolarHBondContact O-N 2.82Å
25	I	60.8	Low	70.9	Confident	132 Å²	132	113.8 Å²	113.8	68%	0.677	57%	0.567	S	S	*	*			trans	-62.2	95.4	158.5	-59.2	172.9	0	0	0	102	P23 G27 K28	P23-I25 PolarHBondContact O-N 2.94Å; I25-G27 PolarHBondContact O-N 3.43Å; I25-K28 PolarHBondContact O-N 3.26Å
26	L	56.8	Low	71.6	Confident	170 Å²	170	114.4 Å²	114.4	89%	0.89	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	23.4	-159.9	-157.4	83.2	0	0	0	114.7	L24	L24-L26 PolarHBondContact O-N 2.82Å
27	G	60.4	Low	72.2	Confident	65 Å²	65	109.3 Å²	109.3	67%	0.67	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.9	0.2	179.4	0	0	0	0	0	117.2	I25	I25-G27 PolarHBondContact O-N 3.43Å
28	K	70.8	Confident	73.2	Confident	176 Å²	176	109.4 Å²	109.4	77%	0.765	56%	0.563	S	S	*	*			trans	-146.8	78.1	179.9	-63.3	-174.9	-176.2	178.3	0	112.4	I25 T30	I25-K28 PolarHBondContact O-N 3.26Å; K28-T30 PolarHBondContact O-N 2.85Å
29	L	74.6	Confident	74.1	Confident	110 Å²	110	107.7 Å²	107.7	58%	0.576	56%	0.561	S	S	*	*			trans	-63.3	123.6	154.8	-81.5	168	0	0	0	107.2	E33 I34	L29-E33 HydrophobicContact CD2-CB 4.01Å; L29-I34 HydrophobicContact CB-CD1 4.18Å; L29-I34 HydrophobicContact CB-CG1 3.94Å; L29-I34 HydrophobicContact CD1-CG1 4.5Å
30	T	84.6	Confident	75.1	Confident	75 Å²	75	105.5 Å²	105.5	46%	0.46	55%	0.55	S	S	.	.			trans	-67.8	150.9	174.9	62.2	0	0	0	0	109.5	K28 K32 E33 I34	K28-T30 PolarHBondContact O-N 2.85Å; T30-K32 PolarHBondContact O-N 3.45Å; T30-K32 VanDerWaalsContact O-N 3.13Å; T30-E33 PolarHBondContact N-OE2 3.32Å; T30-E33 WeakPolarHBondContact O-CB 3.24Å; T30-E33 PolarHBondContact O-N 3.07Å; T30-E33 VanDerWaalsContact OG1-CG 3.3Å; T30-E33 WeakPolarHBondContact OG1-CG 3.29Å; T30-E33 PolarHBondContact OG1-N 3.19Å; T30-E33 PolarHBondContact OG1-OE2 3.23Å; T30-E33 VanDerWaalsContact OG1-OE2 3.04Å; T30-I34 PolarHBondContact O-N 2.98Å; T30-I34 VanDerWaalsContact O-N 3.13Å
31	L	87.1	Confident	76.1	Confident	139 Å²	139	103 Å²	103	73%	0.728	54%	0.536	S	S	*	.	H	α-helix	trans	-50.4	-40.1	174.8	-72.3	170.1	0	0	0	111.4	E33 I34 D35	L31-E33 VanDerWaalsContact C-N 3.31Å; L31-E33 PolarHBondContact O-N 3.05Å; L31-I34 WeakPolarHBondContact O-CB 3.42Å; L31-I34 PolarHBondContact O-N 2.86Å; L31-D35 VanDerWaalsContact O-CG 3.28Å; L31-D35 PolarHBondContact O-N 3.43Å
32	K	87.6	Confident	77.2	Confident	158 Å²	158	98.2 Å²	98.2	69%	0.687	52%	0.523	S	S	*	.	H	α-helix	trans	-58.5	-37.6	175.2	-176.9	176.5	-179.4	178.9	0	113.4	T30 N36	T30-K32 PolarHBondContact O-N 3.45Å; T30-K32 VanDerWaalsContact O-N 3.13Å; K32-N36 WeakPolarHBondContact O-CB 3.2Å; K32-N36 VanDerWaalsContact O-CG 3.23Å; K32-N36 PolarHBondContact O-N 3.39Å; K32-N36 PolarHBondContact O-ND2 3.41Å
33	E	83.8	Confident	78.3	Confident	51 Å²	51	100.5 Å²	100.5	24%	0.238	54%	0.535	C	S	.	.	H	α-helix	trans	-73.6	-37.9	178	-71.3	174.6	109.4	0	0	112.2	R22 L29 T30 L31 N36 A37	R22-E33 IonicContact NH1-OE1 3.12Å; R22-E33 PolarHBondContact NH1-OE1 3.37Å; R22-E33 VanDerWaalsContact NH1-OE1 3.11Å; L29-E33 HydrophobicContact CD2-CB 4.01Å; T30-E33 PolarHBondContact N-OE2 3.32Å; T30-E33 WeakPolarHBondContact O-CB 3.24Å; T30-E33 PolarHBondContact O-N 3.07Å; T30-E33 VanDerWaalsContact OG1-CG 3.3Å; T30-E33 WeakPolarHBondContact OG1-CG 3.29Å; T30-E33 PolarHBondContact OG1-N 3.19Å; T30-E33 PolarHBondContact OG1-OE2 3.23Å; T30-E33 VanDerWaalsContact OG1-OE2 3.04Å; L31-E33 VanDerWaalsContact C-N 3.31Å; L31-E33 PolarHBondContact O-N 3.05Å; E33-N36 PolarHBondContact O-N 2.91Å; E33-A37 WeakPolarHBondContact O-CB 3.24Å; E33-A37 PolarHBondContact O-N 2.89Å
34	I	84.1	Confident	79.5	Confident	67 Å²	67	97.1 Å²	97.1	34%	0.344	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-46.8	173.5	-63.4	172.7	0	0	0	109.7	L29 T30 L31 N36 A37 N38	L29-I34 HydrophobicContact CB-CD1 4.18Å; L29-I34 HydrophobicContact CB-CG1 3.94Å; L29-I34 HydrophobicContact CD1-CG1 4.5Å; T30-I34 PolarHBondContact O-N 2.98Å; T30-I34 VanDerWaalsContact O-N 3.13Å; L31-I34 WeakPolarHBondContact O-CB 3.42Å; L31-I34 PolarHBondContact O-N 2.86Å; I34-N36 VanDerWaalsContact C-N 3.33Å; I34-N36 PolarHBondContact O-N 2.79Å; I34-A37 WeakPolarHBondContact O-CB 3.35Å; I34-A37 PolarHBondContact O-N 3.42Å; I34-A37 VanDerWaalsContact O-N 3.15Å; I34-N38 WeakPolarHBondContact O-CB 3.44Å; I34-N38 VanDerWaalsContact O-CG 3.29Å; I34-N38 PolarHBondContact O-N 2.94Å; I34-N38 PolarHBondContact O-ND2 3.32Å
35	D	90.6	Very high	80.8	Confident	92 Å²	92	94.6 Å²	94.6	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-59.7	-44.3	176.7	-70.4	-27.2	0	0	0	111.5	L31 A37 N38 Q39	L31-D35 VanDerWaalsContact O-CG 3.28Å; L31-D35 PolarHBondContact O-N 3.43Å; D35-A37 VanDerWaalsContact C-N 3.34Å; D35-A37 PolarHBondContact O-N 3.2Å; D35-N38 PolarHBondContact O-N 3.24Å; D35-Q39 WeakPolarHBondContact O-CB 3.24Å; D35-Q39 VanDerWaalsContact O-CG 3.24Å; D35-Q39 WeakPolarHBondContact O-CG 3.29Å; D35-Q39 PolarHBondContact O-N 3.18Å
36	N	87.2	Confident	81.9	Confident	72 Å²	72	93.8 Å²	93.8	39%	0.385	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-39.3	176	-77.4	-46.1	0	0	0	112.6	K32 E33 I34 N40	K32-N36 WeakPolarHBondContact O-CB 3.2Å; K32-N36 VanDerWaalsContact O-CG 3.23Å; K32-N36 PolarHBondContact O-N 3.39Å; K32-N36 PolarHBondContact O-ND2 3.41Å; E33-N36 PolarHBondContact O-N 2.91Å; I34-N36 VanDerWaalsContact C-N 3.33Å; I34-N36 PolarHBondContact O-N 2.79Å; N36-N40 PolarHBondContact O-N 3.06Å; N36-N40 PolarHBondContact O-ND2 2.88Å
37	A	84.8	Confident	83.3	Confident	46 Å²	46	89.8 Å²	89.8	38%	0.38	48%	0.476	S	S	.	.	H	α-helix	trans	-63.8	-47.4	175.1	0	0	0	0	0	110.6	E33 I34 D35 Q39 N40 I41	E33-A37 WeakPolarHBondContact O-CB 3.24Å; E33-A37 PolarHBondContact O-N 2.89Å; I34-A37 WeakPolarHBondContact O-CB 3.35Å; I34-A37 PolarHBondContact O-N 3.42Å; I34-A37 VanDerWaalsContact O-N 3.15Å; D35-A37 VanDerWaalsContact C-N 3.34Å; D35-A37 PolarHBondContact O-N 3.2Å; A37-Q39 PolarHBondContact O-N 2.95Å; A37-N40 PolarHBondContact O-N 3.49Å; A37-I41 VanDerWaalsContact O-CG1 3.29Å; A37-I41 WeakPolarHBondContact O-CG1 3.43Å; A37-I41 PolarHBondContact O-N 3.1Å
38	N	86.4	Confident	84.5	Confident	79 Å²	79	88.7 Å²	88.7	42%	0.422	45%	0.454	S	S	.	.	H	α-helix	trans	-59.2	-44.6	176.9	-71.7	-19.3	0	0	0	111.8	I34 D35 N40 I41 I42	I34-N38 WeakPolarHBondContact O-CB 3.44Å; I34-N38 VanDerWaalsContact O-CG 3.29Å; I34-N38 PolarHBondContact O-N 2.94Å; I34-N38 PolarHBondContact O-ND2 3.32Å; D35-N38 PolarHBondContact O-N 3.24Å; N38-N40 PolarHBondContact O-N 3.02Å; N38-I41 PolarHBondContact O-N 3.28Å; N38-I42 VanDerWaalsContact O-CG1 3.29Å; N38-I42 WeakPolarHBondContact O-CG1 3.41Å; N38-I42 PolarHBondContact O-N 3.18Å
39	Q	87.6	Confident	85.2	Confident	100 Å²	100	83.3 Å²	83.3	47%	0.467	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-39.2	176.6	-71.1	-61.4	-37.3	0	0	112.8	D35 A37 K43	D35-Q39 WeakPolarHBondContact O-CB 3.24Å; D35-Q39 VanDerWaalsContact O-CG 3.24Å; D35-Q39 WeakPolarHBondContact O-CG 3.29Å; D35-Q39 PolarHBondContact O-N 3.18Å; A37-Q39 PolarHBondContact O-N 2.95Å; Q39-K43 WeakPolarHBondContact O-CG 3.41Å; Q39-K43 PolarHBondContact O-N 3.18Å; Q39-K43 VanDerWaalsContact O-N 3.09Å
40	N	85	Confident	85.8	Confident	50 Å²	50	81.3 Å²	81.3	27%	0.267	43%	0.434	S	S	.	.	H	α-helix	trans	-68.4	-37.7	176.1	-69	-32.6	0	0	0	111.9	N36 A37 N38 L44	N36-N40 PolarHBondContact O-N 3.06Å; N36-N40 PolarHBondContact O-ND2 2.88Å; A37-N40 PolarHBondContact O-N 3.49Å; N38-N40 PolarHBondContact O-N 3.02Å; N40-L44 PolarHBondContact O-N 3.08Å; N40-L44 VanDerWaalsContact O-N 3.08Å
41	I	85.5	Confident	85.9	Confident	83 Å²	83	79.4 Å²	79.4	43%	0.426	42%	0.424	S	S	.	.	H	α-helix	trans	-64.3	-45.9	175.2	-68.3	164.8	0	0	0	110.3	A37 N38 K43 L44 V45	A37-I41 VanDerWaalsContact O-CG1 3.29Å; A37-I41 WeakPolarHBondContact O-CG1 3.43Å; A37-I41 PolarHBondContact O-N 3.1Å; N38-I41 PolarHBondContact O-N 3.28Å; I41-K43 PolarHBondContact O-N 2.98Å; I41-L44 WeakPolarHBondContact O-CB 3.33Å; I41-L44 PolarHBondContact O-N 3.47Å; I41-V45 HydrophobicContact CG2-CG2 4.49Å; I41-V45 WeakPolarHBondContact O-CG2 3.28Å; I41-V45 PolarHBondContact O-N 2.91Å
42	I	86.1	Confident	85.9	Confident	81 Å²	81	76.9 Å²	76.9	42%	0.415	41%	0.41	S	S	.	.	H	α-helix	trans	-59.2	-48.3	178	-69.5	164	0	0	0	111	N38 L44 V45 Q46	N38-I42 VanDerWaalsContact O-CG1 3.29Å; N38-I42 WeakPolarHBondContact O-CG1 3.41Å; N38-I42 PolarHBondContact O-N 3.18Å; I42-L44 VanDerWaalsContact C-N 3.27Å; I42-L44 PolarHBondContact O-N 3.46Å; I42-V45 PolarHBondContact O-N 3.32Å; I42-Q46 WeakPolarHBondContact O-CG 3.38Å; I42-Q46 PolarHBondContact O-N 2.99Å
43	K	86.1	Confident	85.8	Confident	121 Å²	121	75.8 Å²	75.8	53%	0.526	41%	0.408	S	S	.	.	H	α-helix	trans	-58.6	-38.9	177.3	-72.8	173.8	-176.9	179.7	0	112.1	Q39 I41 Q46 V47	Q39-K43 WeakPolarHBondContact O-CG 3.41Å; Q39-K43 PolarHBondContact O-N 3.18Å; Q39-K43 VanDerWaalsContact O-N 3.09Å; I41-K43 PolarHBondContact O-N 2.98Å; K43-Q46 PolarHBondContact O-N 3.32Å; K43-V47 WeakPolarHBondContact O-CG2 3.37Å; K43-V47 PolarHBondContact O-N 3.08Å; K43-V47 VanDerWaalsContact O-N 3.08Å
44	L	83.3	Confident	85.9	Confident	40 Å²	40	77.2 Å²	77.2	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-63.3	-50.2	175.5	-178.9	72.4	0	0	0	111.4	F11 N40 I41 I42 Q46 V47 I48	F11-L44 HydrophobicContact CB-CD1 3.95Å; F11-L44 HydrophobicContact CD1-CB 4.32Å; F11-L44 HydrophobicContact CD1-CD1 3.51Å; F11-L44 HydrophobicContact CD1-CD2 3.35Å; F11-L44 HydrophobicContact CD1-CG 3.85Å; F11-L44 HydrophobicContact CD2-CD1 4Å; F11-L44 HydrophobicContact CE1-CB 3.82Å; F11-L44 HydrophobicContact CE1-CD1 3.9Å; F11-L44 HydrophobicContact CE1-CD2 3.4Å; F11-L44 VanDerWaalsContact CE1-CD2 3.4Å; F11-L44 HydrophobicContact CE1-CG 3.85Å; F11-L44 HydrophobicContact CE2-CD1 4.37Å; F11-L44 HydrophobicContact CG-CD1 3.54Å; F11-L44 HydrophobicContact CG-CD2 4.26Å; F11-L44 HydrophobicContact CG-CG 4.37Å; F11-L44 HydrophobicContact CZ-CB 3.99Å; F11-L44 HydrophobicContact CZ-CD1 4.31Å; F11-L44 HydrophobicContact CZ-CD2 4.39Å; F11-L44 HydrophobicContact CZ-CG 4.42Å; N40-L44 PolarHBondContact O-N 3.08Å; N40-L44 VanDerWaalsContact O-N 3.08Å; I41-L44 WeakPolarHBondContact O-CB 3.33Å; I41-L44 PolarHBondContact O-N 3.47Å; I42-L44 VanDerWaalsContact C-N 3.27Å; I42-L44 PolarHBondContact O-N 3.46Å; L44-Q46 PolarHBondContact O-N 3.09Å; L44-V47 PolarHBondContact O-N 3.44Å; L44-V47 VanDerWaalsContact O-N 3.1Å; L44-I48 HydrophobicContact CD1-CD1 4.03Å; L44-I48 HydrophobicContact CD1-CG1 4.29Å; L44-I48 HydrophobicContact CD2-CD1 3.95Å; L44-I48 HydrophobicContact CG-CD1 3.69Å; L44-I48 HydrophobicContact CG-CG1 4.26Å; L44-I48 WeakPolarHBondContact O-CG1 3.26Å; L44-I48 PolarHBondContact O-N 2.7Å
45	V	83.3	Confident	86.1	Confident	79 Å²	79	75.9 Å²	75.9	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-58.9	-37.4	-179	172.8	0	0	0	0	110.6	I41 I42 S49	I41-V45 HydrophobicContact CG2-CG2 4.49Å; I41-V45 WeakPolarHBondContact O-CG2 3.28Å; I41-V45 PolarHBondContact O-N 2.91Å; I42-V45 PolarHBondContact O-N 3.32Å; V45-S49 VanDerWaalsContact O-CB 3.26Å; V45-S49 WeakPolarHBondContact O-CB 3.37Å; V45-S49 PolarHBondContact O-N 3.12Å; V45-S49 PolarHBondContact O-OG 2.73Å
46	Q	85.1	Confident	86	Confident	116 Å²	116	74.2 Å²	74.2	54%	0.542	40%	0.401	S	S	.	.	H	α-helix	trans	-62.9	-49.3	173.7	-71	172.3	-36.7	0	0	111.9	I42 K43 L44 I48 S49 S50	I42-Q46 WeakPolarHBondContact O-CG 3.38Å; I42-Q46 PolarHBondContact O-N 2.99Å; K43-Q46 PolarHBondContact O-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.09Å; Q46-I48 PolarHBondContact O-N 3.02Å; Q46-S49 PolarHBondContact O-N 3.43Å; Q46-S50 PolarHBondContact O-N 3.44Å; Q46-S50 PolarHBondContact O-OG 3Å
47	V	85.4	Confident	86.1	Confident	85 Å²	85	73.9 Å²	73.9	52%	0.515	40%	0.399	S	S	.	.	H	α-helix	trans	-61.4	-42.7	178.3	171.1	0	0	0	0	111.9	K43 L44 S51	K43-V47 WeakPolarHBondContact O-CG2 3.37Å; K43-V47 PolarHBondContact O-N 3.08Å; K43-V47 VanDerWaalsContact O-N 3.08Å; L44-V47 PolarHBondContact O-N 3.44Å; L44-V47 VanDerWaalsContact O-N 3.1Å; V47-S51 WeakPolarHBondContact O-CB 3.43Å; V47-S51 PolarHBondContact O-N 3.13Å; V47-S51 PolarHBondContact O-OG 3.16Å
48	I	84.9	Confident	86.2	Confident	42 Å²	42	75.2 Å²	75.2	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-65.2	-46.4	177.9	-67.7	172.9	0	0	0	110.4	L44 Q46 S50 S51 I52	L44-I48 HydrophobicContact CD1-CD1 4.03Å; L44-I48 HydrophobicContact CD1-CG1 4.29Å; L44-I48 HydrophobicContact CD2-CD1 3.95Å; L44-I48 HydrophobicContact CG-CD1 3.69Å; L44-I48 HydrophobicContact CG-CG1 4.26Å; L44-I48 WeakPolarHBondContact O-CG1 3.26Å; L44-I48 PolarHBondContact O-N 2.7Å; Q46-I48 PolarHBondContact O-N 3.02Å; I48-S50 PolarHBondContact O-N 3.07Å; I48-S51 WeakPolarHBondContact O-CB 3.37Å; I48-S51 PolarHBondContact O-N 2.74Å; I48-S51 VanDerWaalsContact O-N 3.13Å; I48-I52 HydrophobicContact CG2-CD1 3.73Å; I48-I52 HydrophobicContact CG2-CG1 4.33Å; I48-I52 WeakPolarHBondContact O-CG1 3.28Å; I48-I52 PolarHBondContact O-N 3.43Å
49	S	86.3	Confident	86.3	Confident	64 Å²	64	78.3 Å²	78.3	45%	0.448	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-49.1	179.4	-60.7	0	0	0	0	111.4	V45 Q46 S51 I52 E53	V45-S49 VanDerWaalsContact O-CB 3.26Å; V45-S49 WeakPolarHBondContact O-CB 3.37Å; V45-S49 PolarHBondContact O-N 3.12Å; V45-S49 PolarHBondContact O-OG 2.73Å; Q46-S49 PolarHBondContact O-N 3.43Å; S49-S51 VanDerWaalsContact C-N 3.29Å; S49-S51 PolarHBondContact O-N 2.81Å; S49-I52 PolarHBondContact O-N 2.88Å; S49-E53 WeakPolarHBondContact O-CB 3.42Å; S49-E53 PolarHBondContact O-N 3.22Å
50	S	87	Confident	86.4	Confident	67 Å²	67	80.8 Å²	80.8	47%	0.469	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-35.5	175.9	-59.8	0	0	0	0	112.4	Q46 I48 E53 M54	Q46-S50 PolarHBondContact O-N 3.44Å; Q46-S50 PolarHBondContact O-OG 3Å; I48-S50 PolarHBondContact O-N 3.07Å; S50-E53 PolarHBondContact O-N 2.89Å; S50-M54 WeakPolarHBondContact O-CB 3.48Å; S50-M54 VanDerWaalsContact O-CG 3.31Å; S50-M54 WeakPolarHBondContact O-CG 3.5Å; S50-M54 PolarHBondContact O-N 3.36Å
51	S	86.1	Confident	86.6	Confident	35 Å²	35	82.5 Å²	82.5	25%	0.245	42%	0.415	C	S	.	.	H	α-helix	trans	-66.6	-40.1	176.2	-59.7	0	0	0	0	112.3	V47 I48 S49 E55	V47-S51 WeakPolarHBondContact O-CB 3.43Å; V47-S51 PolarHBondContact O-N 3.13Å; V47-S51 PolarHBondContact O-OG 3.16Å; I48-S51 WeakPolarHBondContact O-CB 3.37Å; I48-S51 PolarHBondContact O-N 2.74Å; I48-S51 VanDerWaalsContact O-N 3.13Å; S49-S51 VanDerWaalsContact C-N 3.29Å; S49-S51 PolarHBondContact O-N 2.81Å; S51-E55 VanDerWaalsContact O-CB 3.29Å; S51-E55 WeakPolarHBondContact O-CB 3.5Å; S51-E55 PolarHBondContact O-N 3.42Å
52	I	86.6	Confident	86.7	Confident	87 Å²	87	83 Å²	83	45%	0.446	42%	0.424	S	S	.	.	H	α-helix	trans	-68.4	-41	175.8	-68.6	170.2	0	0	0	110.5	I4 I48 S49 E55 T56	I4-I52 HydrophobicContact CD1-CG1 4.39Å; I48-I52 HydrophobicContact CG2-CD1 3.73Å; I48-I52 HydrophobicContact CG2-CG1 4.33Å; I48-I52 WeakPolarHBondContact O-CG1 3.28Å; I48-I52 PolarHBondContact O-N 3.43Å; S49-I52 PolarHBondContact O-N 2.88Å; I52-E55 PolarHBondContact O-N 3.44Å; I52-T56 VanDerWaalsContact O-CB 3.28Å; I52-T56 WeakPolarHBondContact O-CB 3.29Å; I52-T56 PolarHBondContact O-N 2.99Å; I52-T56 PolarHBondContact O-OG1 2.99Å
53	E	87.5	Confident	86.5	Confident	135 Å²	135	85.6 Å²	85.6	63%	0.631	43%	0.432	S	S	*	.	H	α-helix	trans	-61.3	-48.3	175.9	-175.7	176.6	-164.7	0	0	111	S49 S50 E55 T56 L57	S49-E53 WeakPolarHBondContact O-CB 3.42Å; S49-E53 PolarHBondContact O-N 3.22Å; S50-E53 PolarHBondContact O-N 2.89Å; E53-E55 PolarHBondContact O-N 3.48Å; E53-T56 CarbonylContact O-C 3.56Å; E53-T56 WeakPolarHBondContact O-CB 3.46Å; E53-T56 PolarHBondContact O-N 3.38Å; E53-T56 VanDerWaalsContact O-N 3.16Å; E53-L57 WeakPolarHBondContact O-CB 3.31Å; E53-L57 PolarHBondContact O-N 2.97Å
54	M	85.9	Confident	86.2	Confident	80 Å²	80	85.6 Å²	85.6	39%	0.394	43%	0.43	S	S	.	.	H	α-helix	trans	-61.7	-44.1	176.1	-74.3	-56.5	-55.8	0	0	112.4	S50 T56 L57 W58	S50-M54 WeakPolarHBondContact O-CB 3.48Å; S50-M54 VanDerWaalsContact O-CG 3.31Å; S50-M54 WeakPolarHBondContact O-CG 3.5Å; S50-M54 PolarHBondContact O-N 3.36Å; M54-T56 VanDerWaalsContact C-N 3.3Å; M54-T56 PolarHBondContact O-N 3.19Å; M54-L57 HydrophobicContact CE-CD2 4.28Å; M54-L57 WeakPolarHBondContact O-CB 3.12Å; M54-L57 PolarHBondContact O-N 3.13Å; M54-L57 HydrophobicContact SD-CD2 4.29Å; M54-W58 HydrophobicContact CB-CZ2 4.45Å; M54-W58 HydrophobicContact CE-CZ2 3.91Å; M54-W58 WeakPolarHBondContact O-CB 3.31Å; M54-W58 VanDerWaalsContact O-CD2 3.29Å; M54-W58 PolarHBondContact O-N 2.89Å
55	E	87.5	Confident	86	Confident	39 Å²	39	91.1 Å²	91.1	18%	0.182	45%	0.448	C	S	.	.	H	α-helix	trans	-62	-38.7	174.5	176.9	76.2	-169.6	0	0	111.5	S51 I52 E53 W58 R59	S51-E55 VanDerWaalsContact O-CB 3.29Å; S51-E55 WeakPolarHBondContact O-CB 3.5Å; S51-E55 PolarHBondContact O-N 3.42Å; I52-E55 PolarHBondContact O-N 3.44Å; E53-E55 PolarHBondContact O-N 3.48Å; E55-W58 PolarHBondContact O-N 3.48Å; E55-R59 VanDerWaalsContact O-CG 3.31Å; E55-R59 WeakPolarHBondContact O-CG 3.45Å; E55-R59 PolarHBondContact O-N 3.32Å; E55-R59 IonicContact OE1-CZ 3.77Å; E55-R59 IonicContact OE1-NE 3.43Å; E55-R59 PolarHBondContact OE1-NE 3.22Å; E55-R59 IonicContact OE1-NH2 3.11Å; E55-R59 PolarHBondContact OE1-NH2 3.19Å; E55-R59 VanDerWaalsContact OE1-NH2 3.12Å
56	T	88.5	Confident	85.6	Confident	58 Å²	58	93.2 Å²	93.2	36%	0.356	46%	0.456	S	S	.	.	H	α-helix	trans	-68	-42.6	176.5	-60.3	0	0	0	0	111.2	I52 E53 M54 W58 R59 K60	I52-T56 VanDerWaalsContact O-CB 3.28Å; I52-T56 WeakPolarHBondContact O-CB 3.29Å; I52-T56 PolarHBondContact O-N 2.99Å; I52-T56 PolarHBondContact O-OG1 2.99Å; E53-T56 CarbonylContact O-C 3.56Å; E53-T56 WeakPolarHBondContact O-CB 3.46Å; E53-T56 PolarHBondContact O-N 3.38Å; E53-T56 VanDerWaalsContact O-N 3.16Å; M54-T56 VanDerWaalsContact C-N 3.3Å; M54-T56 PolarHBondContact O-N 3.19Å; T56-W58 VanDerWaalsContact C-N 3.33Å; T56-W58 PolarHBondContact O-N 3.48Å; T56-R59 WeakPolarHBondContact O-CB 3.39Å; T56-R59 PolarHBondContact O-N 2.92Å; T56-K60 PolarHBondContact O-N 3Å
57	L	89	Confident	84.5	Confident	65 Å²	65	91.5 Å²	91.5	34%	0.34	47%	0.47	S	S	.	.	H	α-helix	trans	-58.9	-46.5	174.3	-177.8	70.5	0	0	0	110.2	E53 M54 R59 K60 H61	E53-L57 WeakPolarHBondContact O-CB 3.31Å; E53-L57 PolarHBondContact O-N 2.97Å; M54-L57 HydrophobicContact CE-CD2 4.28Å; M54-L57 WeakPolarHBondContact O-CB 3.12Å; M54-L57 PolarHBondContact O-N 3.13Å; M54-L57 HydrophobicContact SD-CD2 4.29Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-R59 PolarHBondContact O-N 2.77Å; L57-K60 PolarHBondContact O-N 2.76Å; L57-H61 PolarHBondContact O-N 3.44Å
58	W	87.5	Confident	83.1	Confident	73 Å²	73	94.1 Å²	94.1	28%	0.277	48%	0.481	S	S	.	.	H	α-helix	trans	-64.1	-32.5	176.5	-63.5	-23.3	0	0	0	113.3	M54 E55 T56 H61 P62 Y64 R65	M54-W58 HydrophobicContact CB-CZ2 4.45Å; M54-W58 HydrophobicContact CE-CZ2 3.91Å; M54-W58 WeakPolarHBondContact O-CB 3.31Å; M54-W58 VanDerWaalsContact O-CD2 3.29Å; M54-W58 PolarHBondContact O-N 2.89Å; E55-W58 PolarHBondContact O-N 3.48Å; T56-W58 VanDerWaalsContact C-N 3.33Å; T56-W58 PolarHBondContact O-N 3.48Å; W58-H61 CarbonylContact O-C 3.56Å; W58-H61 VanDerWaalsContact O-C 3.31Å; W58-P62 WeakPolarHBondContact O-CA 3.42Å; W58-Y64 PolarHBondContact NE1-O 3.42Å; W58-R65 HydrophobicContact CB-CB 4.21Å; W58-R65 HydrophobicContact CB-CG 4.3Å; W58-R65 VanDerWaalsContact CD1-CA 3.45Å; W58-R65 HydrophobicContact CD2-CB 4.23Å; W58-R65 HydrophobicContact CD2-CG 3.84Å; W58-R65 HydrophobicContact CE3-CG 4.12Å; W58-R65 HydrophobicContact CG-CB 3.87Å; W58-R65 HydrophobicContact CG-CG 3.93Å
59	R	87.6	Confident	81.7	Confident	144 Å²	144	97 Å²	97	54%	0.543	50%	0.501	S	S	.	.	H	α-helix	trans	-67	-41.9	173	-73.8	173.4	-168.6	-159	3.7	112	E55 T56 L57	E55-R59 VanDerWaalsContact O-CG 3.31Å; E55-R59 WeakPolarHBondContact O-CG 3.45Å; E55-R59 PolarHBondContact O-N 3.32Å; E55-R59 IonicContact OE1-CZ 3.77Å; E55-R59 IonicContact OE1-NE 3.43Å; E55-R59 PolarHBondContact OE1-NE 3.22Å; E55-R59 IonicContact OE1-NH2 3.11Å; E55-R59 PolarHBondContact OE1-NH2 3.19Å; E55-R59 VanDerWaalsContact OE1-NH2 3.12Å; T56-R59 WeakPolarHBondContact O-CB 3.39Å; T56-R59 PolarHBondContact O-N 2.92Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-R59 PolarHBondContact O-N 2.77Å
60	K	90.4	Very high	80.1	Confident	152 Å²	152	102.5 Å²	102.5	66%	0.661	52%	0.519	S	S	*	.	H	α-helix	trans	-72.8	-33.3	177.6	-69.6	-178.2	178.8	-178.7	0	112.3	T56 L57	T56-K60 PolarHBondContact O-N 3Å; L57-K60 PolarHBondContact O-N 2.76Å
61	H	89.3	Confident	78.3	Confident	86 Å²	86	107.3 Å²	107.3	40%	0.398	53%	0.534	S	S	.	.			trans	-140.8	77.8	-173.8	-59	-61.4	0	0	0	110.1	L57 W58 K63 Y64	L57-H61 PolarHBondContact O-N 3.44Å; W58-H61 CarbonylContact O-C 3.56Å; W58-H61 VanDerWaalsContact O-C 3.31Å; H61-K63 PolarHBondContact O-N 3.01Å; H61-Y64 HydrophobicContact CB-CD2 3.24Å; H61-Y64 HydrophobicContact CB-CE2 3.46Å; H61-Y64 VanDerWaalsContact CB-CE2 3.46Å; H61-Y64 HydrophobicContact CB-CG 4.38Å; H61-Y64 AromaticContact CG-CD2 3.95Å; H61-Y64 AromaticContact CG-CE2 3.71Å; H61-Y64 PolarHBondContact O-N 3Å
62	P	86.6	Confident	76.4	Confident	95 Å²	95	114.3 Å²	114.3	62%	0.617	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-59	-20.7	-176.1	18.7	-30.3	0	0	0	114	W58 Y64 R65	W58-P62 WeakPolarHBondContact O-CA 3.42Å; P62-Y64 VanDerWaalsContact C-N 3.27Å; P62-Y64 PolarHBondContact O-N 3.33Å; P62-R65 VanDerWaalsContact O-CB 3.24Å; P62-R65 WeakPolarHBondContact O-CB 3.24Å; P62-R65 PolarHBondContact O-N 3.23Å
63	K	82.6	Confident	75.9	Confident	134 Å²	134	115.7 Å²	115.7	58%	0.583	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-60.6	-28.1	173.1	65.3	178.2	-176.7	174.4	0	114.4	H61 R65	H61-K63 PolarHBondContact O-N 3.01Å; K63-R65 VanDerWaalsContact C-N 3.28Å; K63-R65 PolarHBondContact O-N 3.05Å
64	Y	79.3	Confident	75.3	Confident	122 Å²	122	114.7 Å²	114.7	48%	0.478	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-84.7	2.7	179.3	-59.1	-58.4	0	0	0	113.8	W58 H61 P62	W58-Y64 PolarHBondContact NE1-O 3.42Å; H61-Y64 HydrophobicContact CB-CD2 3.24Å; H61-Y64 HydrophobicContact CB-CE2 3.46Å; H61-Y64 VanDerWaalsContact CB-CE2 3.46Å; H61-Y64 HydrophobicContact CB-CG 4.38Å; H61-Y64 AromaticContact CG-CD2 3.95Å; H61-Y64 AromaticContact CG-CE2 3.71Å; H61-Y64 PolarHBondContact O-N 3Å; P62-Y64 VanDerWaalsContact C-N 3.27Å; P62-Y64 PolarHBondContact O-N 3.33Å
65	R	80.7	Confident	74.7	Confident	156 Å²	156	116.6 Å²	116.6	59%	0.589	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-75.1	-33.3	-174.9	-170.5	172.6	-179.3	-167.5	-2.3	113.8	W58 P62 K63	W58-R65 HydrophobicContact CB-CB 4.21Å; W58-R65 HydrophobicContact CB-CG 4.3Å; W58-R65 VanDerWaalsContact CD1-CA 3.45Å; W58-R65 HydrophobicContact CD2-CB 4.23Å; W58-R65 HydrophobicContact CD2-CG 3.84Å; W58-R65 HydrophobicContact CE3-CG 4.12Å; W58-R65 HydrophobicContact CG-CB 3.87Å; W58-R65 HydrophobicContact CG-CG 3.93Å; P62-R65 VanDerWaalsContact O-CB 3.24Å; P62-R65 WeakPolarHBondContact O-CB 3.24Å; P62-R65 PolarHBondContact O-N 3.23Å; K63-R65 VanDerWaalsContact C-N 3.28Å; K63-R65 PolarHBondContact O-N 3.05Å
66	N	73.6	Confident	74	Confident	122 Å²	122	121.2 Å²	121.2	65%	0.652	62%	0.623	S	S	*	*	S	Bend	trans	-101.3	120.6	171.5	-58.9	-16.1	0	0	0	104.7	N68	N66-N68 PolarHBondContact O-N 2.66Å
67	G	63.2	Low	73.1	Confident	81 Å²	81	125.1 Å²	125.1	84%	0.835	64%	0.64	S	S	*	*	S	Bend	trans	-61.1	19.9	-177	0	0	0	0	0	116.1
68	N	56	Low	72	Confident	139 Å²	139	129.1 Å²	129.1	74%	0.743	66%	0.66	S	S	*	*			trans	-139.3	98.8	-175.6	-61.9	29.6	0	0	0	108.8	N66	N66-N68 PolarHBondContact O-N 2.66Å
69	T	55.3	Low	70.9	Confident	103 Å²	103	133.1 Å²	133.1	63%	0.632	69%	0.687	S	S	*	*			trans	-159.1	90.3	138.2	-3.2	0	0	0	0	108.9	E71	T69-E71 PolarHBondContact O-N 3.33Å
70	H	53	Low	69.6	Low	179 Å²	179	132.3 Å²	132.3	83%	0.829	70%	0.698	S	S	*	*			trans	-71.7	95.1	157.2	-166.5	-31.7	0	0	0	107.1
71	E	49	Very low	67.9	Low	169 Å²	169	130.7 Å²	130.7	79%	0.79	70%	0.702	S	S	*	*			trans	-148	106.7	162.4	-77.7	-175.8	158.7	0	0	103.7	T69	T69-E71 PolarHBondContact O-N 3.33Å
72	S	45.9	Very low	65.9	Low	182 Å²	182	134.7 Å²	134.7	100%	1.273	73%	0.729	S	S	*	*			cis	-136.8	0	42.8	-55	0	0	0	0	113

Retrieved 72 of 72 residues in 99.7 ms (Link to these results)

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