A0A5K4FDB9_SCHMA Loading...

MEG 2.3

AlphaFold DB , UniProt , Accession A0A5K4FDB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 83 aa.

						>A0A5K4FDB9_SCHMA|A0A5K4FDB9
MKLSGANCLVVFSLLQLLVAFSHCDISDITCNKTVCCASEDGKTGSLCCEKDGCPSTPDLFLENYRRHRRMKNYLEEVCKYYI
					

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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	25.3	Very low	40.7	Very low	240 Å²	240	119.5 Å²	119.5	100%	1.182	69%	0.687	S	S	*	*				0	134.1	0	-85.8	168.5	158.7	0	0	108.4
2	K	32.6	Very low	41.3	Very low	213 Å²	213	120.7 Å²	120.7	93%	0.926	68%	0.678	S	S	*	*			trans	66.9	75.1	173.7	-58.7	179.9	177.5	178.6	0	116.6
3	L	34.3	Very low	41.9	Very low	170 Å²	170	114.3 Å²	114.3	89%	0.89	65%	0.646	S	S	*	*			trans	-106.4	5.2	165	-112.3	126.4	0	0	0	113.5
4	S	42.1	Very low	42.3	Very low	109 Å²	109	111.1 Å²	111.1	76%	0.762	63%	0.626	S	S	*	*			trans	-109.6	23.3	-166.9	-63.2	0	0	0	0	115.7
5	G	39.8	Very low	42.6	Very low	53 Å²	53	109.7 Å²	109.7	55%	0.546	62%	0.616	S	S	.	*	S	Bend	trans	-94	-45.5	176.1	0	0	0	0	0	114.1
6	A	44.7	Very low	42.9	Very low	66 Å²	66	110.3 Å²	110.3	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-77.2	-29.4	-165.9	0	0	0	0	0	114.3	V10	A6-V10 WeakPolarHBondContact O-CG2 3.35Å
7	N	45.9	Very low	43.2	Very low	126 Å²	126	106.1 Å²	106.1	67%	0.674	59%	0.588	S	S	*	*	H	α-helix	trans	-76.2	-27	-176.3	-85.4	15.6	0	0	0	113.8	V11	N7-V11 VanDerWaalsContact O-CB 3.29Å; N7-V11 WeakPolarHBondContact O-CB 3.44Å; N7-V11 WeakPolarHBondContact O-CG2 3.31Å; N7-V11 PolarHBondContact O-N 3.42Å
8	C	43.1	Very low	43.3	Very low	86 Å²	86	105.8 Å²	105.8	58%	0.581	59%	0.585	S	S	*	*	H	α-helix	trans	-73.6	-42.1	-173.2	-71.8	0	0	0	0	112.5	F12	C8-F12 WeakPolarHBondContact O-CB 3.12Å; C8-F12 PolarHBondContact O-N 3.39Å
9	L	42.5	Very low	43.5	Very low	97 Å²	97	106.6 Å²	106.6	51%	0.508	59%	0.593	S	S	.	*	H	α-helix	trans	-74.3	-39.8	-177.9	-71.8	172.2	0	0	0	112.3	V11 F12 S13	L9-V11 VanDerWaalsContact C-N 3.29Å; L9-V11 PolarHBondContact O-N 2.91Å; L9-F12 PolarHBondContact O-N 3.08Å; L9-S13 VanDerWaalsContact O-CB 3.3Å; L9-S13 WeakPolarHBondContact O-CB 3.22Å; L9-S13 PolarHBondContact O-N 3.29Å; L9-S13 PolarHBondContact O-OG 3.48Å
10	V	48.1	Very low	43.7	Very low	81 Å²	81	103.4 Å²	103.4	49%	0.491	58%	0.581	S	S	.	*	H	α-helix	trans	-60.2	-44.5	175.9	176.4	0	0	0	0	109.9	A6 L14	A6-V10 WeakPolarHBondContact O-CG2 3.35Å; V10-L14 HydrophobicContact CG1-CD1 3.57Å; V10-L14 HydrophobicContact CG1-CG 4.34Å; V10-L14 WeakPolarHBondContact O-CB 3.29Å; V10-L14 VanDerWaalsContact O-CD1 3.31Å; V10-L14 WeakPolarHBondContact O-CD1 3.05Å; V10-L14 WeakPolarHBondContact O-CG 3.35Å; V10-L14 PolarHBondContact O-N 3.23Å
11	V	49	Very low	43.9	Very low	74 Å²	74	100.7 Å²	100.7	45%	0.448	56%	0.563	S	S	.	*	H	α-helix	trans	-69.4	-43.3	178.4	173.6	0	0	0	0	111.4	N7 L9 L14 L15	N7-V11 VanDerWaalsContact O-CB 3.29Å; N7-V11 WeakPolarHBondContact O-CB 3.44Å; N7-V11 WeakPolarHBondContact O-CG2 3.31Å; N7-V11 PolarHBondContact O-N 3.42Å; L9-V11 VanDerWaalsContact C-N 3.29Å; L9-V11 PolarHBondContact O-N 2.91Å; V11-L14 PolarHBondContact O-N 3.16Å; V11-L15 HydrophobicContact CG1-CD1 3.46Å; V11-L15 VanDerWaalsContact CG1-CD1 3.46Å; V11-L15 VanDerWaalsContact O-CB 3.22Å; V11-L15 WeakPolarHBondContact O-CB 3.3Å; V11-L15 WeakPolarHBondContact O-CD1 3.38Å; V11-L15 PolarHBondContact O-N 2.85Å
12	F	47.9	Very low	44.9	Very low	133 Å²	133	93.3 Å²	93.3	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-67.1	-41.8	-179.9	-127.6	-94.5	0	0	0	112.7	C8 L9 L15 Q16	C8-F12 WeakPolarHBondContact O-CB 3.12Å; C8-F12 PolarHBondContact O-N 3.39Å; L9-F12 PolarHBondContact O-N 3.08Å; F12-L15 PolarHBondContact O-N 3.38Å; F12-Q16 HydrophobicContact CD1-CG 4.32Å; F12-Q16 WeakPolarHBondContact O-CB 3.22Å; F12-Q16 VanDerWaalsContact O-CG 3.29Å; F12-Q16 WeakPolarHBondContact O-CG 3.43Å; F12-Q16 PolarHBondContact O-N 3.1Å
13	S	49.5	Very low	45.6	Very low	38 Å²	38	88.8 Å²	88.8	27%	0.266	52%	0.517	S	S	.	.	H	α-helix	trans	-70.3	-40.1	177.1	-63.9	0	0	0	0	111.7	L9 L17	L9-S13 VanDerWaalsContact O-CB 3.3Å; L9-S13 WeakPolarHBondContact O-CB 3.22Å; L9-S13 PolarHBondContact O-N 3.29Å; L9-S13 PolarHBondContact O-OG 3.48Å; S13-L17 WeakPolarHBondContact O-CB 3.48Å; S13-L17 VanDerWaalsContact O-CD1 3.25Å; S13-L17 WeakPolarHBondContact O-CD1 3.38Å; S13-L17 PolarHBondContact O-N 3.25Å
14	L	46.8	Very low	46	Very low	69 Å²	69	81.3 Å²	81.3	36%	0.361	48%	0.479	S	S	.	.	H	α-helix	trans	-65	-41.6	173.5	-73.4	169.1	0	0	0	111.5	V10 V11 L17 L18 I26	V10-L14 HydrophobicContact CG1-CD1 3.57Å; V10-L14 HydrophobicContact CG1-CG 4.34Å; V10-L14 WeakPolarHBondContact O-CB 3.29Å; V10-L14 VanDerWaalsContact O-CD1 3.31Å; V10-L14 WeakPolarHBondContact O-CD1 3.05Å; V10-L14 WeakPolarHBondContact O-CG 3.35Å; V10-L14 PolarHBondContact O-N 3.23Å; V11-L14 PolarHBondContact O-N 3.16Å; L14-L17 CarbonylContact O-C 3.59Å; L14-L17 PolarHBondContact O-N 3.43Å; L14-L18 VanDerWaalsContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CD1 3.18Å; L14-L18 PolarHBondContact O-N 3.34Å; L14-I26 HydrophobicContact CD2-CD1 3.73Å; L14-I26 HydrophobicContact CD2-CG2 3.8Å
15	L	48.1	Very low	46.1	Very low	91 Å²	91	81.2 Å²	81.2	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-66.5	-44.1	176.7	-91.3	150	0	0	0	111.9	V11 F12 L17 L18 V19	V11-L15 HydrophobicContact CG1-CD1 3.46Å; V11-L15 VanDerWaalsContact CG1-CD1 3.46Å; V11-L15 VanDerWaalsContact O-CB 3.22Å; V11-L15 WeakPolarHBondContact O-CB 3.3Å; V11-L15 WeakPolarHBondContact O-CD1 3.38Å; V11-L15 PolarHBondContact O-N 2.85Å; F12-L15 PolarHBondContact O-N 3.38Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 2.86Å; L15-L18 PolarHBondContact O-N 3.17Å; L15-V19 VanDerWaalsContact O-CB 3.27Å; L15-V19 WeakPolarHBondContact O-CB 3.22Å; L15-V19 WeakPolarHBondContact O-CG2 3.29Å; L15-V19 PolarHBondContact O-N 2.85Å
16	Q	47.5	Very low	46.5	Very low	119 Å²	119	81.2 Å²	81.2	56%	0.556	46%	0.456	S	S	*	.	H	α-helix	trans	-63.5	-36.3	175.6	-75.2	179.5	-21.3	0	0	111.2	F12 A20	F12-Q16 HydrophobicContact CD1-CG 4.32Å; F12-Q16 WeakPolarHBondContact O-CB 3.22Å; F12-Q16 VanDerWaalsContact O-CG 3.29Å; F12-Q16 WeakPolarHBondContact O-CG 3.43Å; F12-Q16 PolarHBondContact O-N 3.1Å; Q16-A20 WeakPolarHBondContact O-CB 3.14Å; Q16-A20 PolarHBondContact O-N 3.28Å
17	L	47.3	Very low	46.4	Very low	39 Å²	39	82 Å²	82	20%	0.204	46%	0.458	C	S	.	.	H	α-helix	trans	-68.4	-44.4	171.5	-101.4	95.1	0	0	0	112.7	S13 L14 L15 V19 A20 F21 I26	S13-L17 WeakPolarHBondContact O-CB 3.48Å; S13-L17 VanDerWaalsContact O-CD1 3.25Å; S13-L17 WeakPolarHBondContact O-CD1 3.38Å; S13-L17 PolarHBondContact O-N 3.25Å; L14-L17 CarbonylContact O-C 3.59Å; L14-L17 PolarHBondContact O-N 3.43Å; L15-L17 VanDerWaalsContact C-N 3.27Å; L15-L17 PolarHBondContact O-N 2.86Å; L17-V19 VanDerWaalsContact C-N 3.35Å; L17-V19 PolarHBondContact O-N 3.43Å; L17-A20 PolarHBondContact O-N 3.21Å; L17-F21 HydrophobicContact CB-CD2 4.09Å; L17-F21 HydrophobicContact CD2-CD2 4.1Å; L17-F21 HydrophobicContact CD2-CE2 4.41Å; L17-F21 HydrophobicContact CG-CD2 3.74Å; L17-F21 HydrophobicContact CG-CE2 3.89Å; L17-F21 VanDerWaalsContact O-CA 3.3Å; L17-F21 WeakPolarHBondContact O-CA 3.48Å; L17-F21 WeakPolarHBondContact O-CB 3.34Å; L17-F21 VanDerWaalsContact O-CD2 3.26Å; L17-F21 WeakPolarHBondContact O-CD2 3.41Å; L17-F21 WeakPolarHBondContact O-CG 3.28Å; L17-F21 PolarHBondContact O-N 3.24Å; L17-I26 HydrophobicContact CB-CD1 3.8Å; L17-I26 HydrophobicContact CB-CG1 4.39Å; L17-I26 HydrophobicContact CD2-CD1 4.36Å; L17-I26 HydrophobicContact CD2-CG1 4.18Å; L17-I26 HydrophobicContact CD2-CG2 4.41Å
18	L	45.6	Very low	46.3	Very low	101 Å²	101	81.5 Å²	81.5	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-64.6	-39.6	179.4	-95	147.9	0	0	0	111.7	L14 L15 S22 I26	L14-L18 VanDerWaalsContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 WeakPolarHBondContact O-CD1 3.18Å; L14-L18 PolarHBondContact O-N 3.34Å; L15-L18 PolarHBondContact O-N 3.17Å; L18-S22 PolarHBondContact O-N 2.94Å; L18-I26 HydrophobicContact CD1-CD1 4.18Å; L18-I26 HydrophobicContact CG-CD1 3.88Å
19	V	45.8	Very low	46.6	Very low	120 Å²	120	80 Å²	80	73%	0.727	44%	0.441	S	S	*	.	H	α-helix	trans	-72.5	-37.8	177.8	173.2	0	0	0	0	111	L15 L17	L15-V19 VanDerWaalsContact O-CB 3.27Å; L15-V19 WeakPolarHBondContact O-CB 3.22Å; L15-V19 WeakPolarHBondContact O-CG2 3.29Å; L15-V19 PolarHBondContact O-N 2.85Å; L17-V19 VanDerWaalsContact C-N 3.35Å; L17-V19 PolarHBondContact O-N 3.43Å
20	A	48.1	Very low	46.6	Very low	43 Å²	43	77.6 Å²	77.6	36%	0.355	43%	0.431	S	S	.	.	H	α-helix	trans	-77.8	-29.6	176.3	0	0	0	0	0	112.9	Q16 L17	Q16-A20 WeakPolarHBondContact O-CB 3.14Å; Q16-A20 PolarHBondContact O-N 3.28Å; L17-A20 PolarHBondContact O-N 3.21Å
21	F	47.4	Very low	46.5	Very low	46 Å²	46	74.7 Å²	74.7	20%	0.202	41%	0.413	C	S	.	.			trans	-133.7	52.7	-165.8	-46.1	-52.9	0	0	0	111.9	L17 H23 C24 L47	L17-F21 HydrophobicContact CB-CD2 4.09Å; L17-F21 HydrophobicContact CD2-CD2 4.1Å; L17-F21 HydrophobicContact CD2-CE2 4.41Å; L17-F21 HydrophobicContact CG-CD2 3.74Å; L17-F21 HydrophobicContact CG-CE2 3.89Å; L17-F21 VanDerWaalsContact O-CA 3.3Å; L17-F21 WeakPolarHBondContact O-CA 3.48Å; L17-F21 WeakPolarHBondContact O-CB 3.34Å; L17-F21 VanDerWaalsContact O-CD2 3.26Å; L17-F21 WeakPolarHBondContact O-CD2 3.41Å; L17-F21 WeakPolarHBondContact O-CG 3.28Å; L17-F21 PolarHBondContact O-N 3.24Å; F21-H23 PolarHBondContact O-N 3.33Å; F21-C24 HydrophobicContact CB-CB 4.13Å; F21-C24 PolarHBondContact O-N 3.29Å; F21-L47 HydrophobicContact CB-CD1 4.16Å; F21-L47 HydrophobicContact CD1-CB 3.85Å; F21-L47 HydrophobicContact CD1-CD1 3.03Å; F21-L47 HydrophobicContact CD1-CD2 4.48Å; F21-L47 HydrophobicContact CD1-CG 3.21Å; F21-L47 HydrophobicContact CD2-CD1 4.18Å; F21-L47 HydrophobicContact CE1-CB 4.38Å; F21-L47 HydrophobicContact CE1-CD1 3.26Å; F21-L47 HydrophobicContact CE1-CD2 4.2Å; F21-L47 HydrophobicContact CE1-CG 3.32Å; F21-L47 HydrophobicContact CE2-CD1 4.35Å; F21-L47 HydrophobicContact CG-CD1 3.54Å; F21-L47 HydrophobicContact CG-CG 4.18Å; F21-L47 HydrophobicContact CZ-CD1 3.93Å; F21-L47 HydrophobicContact CZ-CG 4.35Å
22	S	47.5	Very low	46.7	Very low	86 Å²	86	77.8 Å²	77.8	60%	0.601	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-15.6	178.7	54.2	0	0	0	0	114.9	L18	L18-S22 PolarHBondContact O-N 2.94Å
23	H	46.5	Very low	46.9	Very low	117 Å²	117	80.7 Å²	80.7	54%	0.542	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-3.5	-178.2	-58.8	-64.8	0	0	0	114	F21 C31	F21-H23 PolarHBondContact O-N 3.33Å; H23-C31 WeakPolarHBondContact O-CB 3.12Å; H23-C31 PolarHBondContact O-SG 3.31Å
24	C	42.2	Very low	46.8	Very low	14 Å²	14	80.4 Å²	80.4	10%	0.095	44%	0.436	C	S	.	.	S	Bend	trans	-117.2	117.8	-176.1	-62.6	0	0	0	0	109.7	F21 I26 C36	F21-C24 HydrophobicContact CB-CB 4.13Å; F21-C24 PolarHBondContact O-N 3.29Å; C24-I26 PolarHBondContact O-N 3.36Å; C24-C36 HydrophobicContact CB-CB 4.07Å; C24-C36 WeakPolarHBondContact CB-SG 3.32Å; C24-C36 WeakPolarHBondContact SG-CB 3.41Å; C24-C36 CovalentContact SG-SG 2.02Å; C24-C36 PolarHBondContact SG-SG 2.74Å
25	D	44.4	Very low	47.1	Very low	107 Å²	107	79.9 Å²	79.9	57%	0.572	44%	0.436	S	S	*	.	B	Isolated β-bridge	trans	-69.4	122.2	174.5	-152.7	-26.4	0	0	0	108.7	S27 D28 I29	D25-S27 PolarHBondContact O-N 3.49Å; D25-D28 PolarHBondContact O-N 2.93Å; D25-I29 WeakPolarHBondContact O-CA 3.45Å; D25-I29 PolarHBondContact O-N 2.86Å
26	I	48.1	Very low	47.2	Very low	52 Å²	52	76.1 Å²	76.1	27%	0.267	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.5	-172.3	-64.5	175.4	0	0	0	110.8	L14 L17 L18 C24 D28	L14-I26 HydrophobicContact CD2-CD1 3.73Å; L14-I26 HydrophobicContact CD2-CG2 3.8Å; L17-I26 HydrophobicContact CB-CD1 3.8Å; L17-I26 HydrophobicContact CB-CG1 4.39Å; L17-I26 HydrophobicContact CD2-CD1 4.36Å; L17-I26 HydrophobicContact CD2-CG1 4.18Å; L17-I26 HydrophobicContact CD2-CG2 4.41Å; L18-I26 HydrophobicContact CD1-CD1 4.18Å; L18-I26 HydrophobicContact CG-CD1 3.88Å; C24-I26 PolarHBondContact O-N 3.36Å; I26-D28 PolarHBondContact O-N 3.5Å
27	S	43.9	Very low	47.4	Very low	84 Å²	84	71.2 Å²	71.2	59%	0.587	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.2	-177.2	63.9	0	0	0	0	112.5	D25	D25-S27 PolarHBondContact O-N 3.49Å
28	D	42	Very low	47.6	Very low	115 Å²	115	71.3 Å²	71.3	62%	0.615	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	-0.9	-174	-72	-61.7	0	0	0	114	D25 I26 T30	D25-D28 PolarHBondContact O-N 2.93Å; I26-D28 PolarHBondContact O-N 3.5Å; D28-T30 HydrophobicContact CB-CG2 3.88Å; D28-T30 WeakPolarHBondContact CB-OG1 3.24Å; D28-T30 PolarHBondContact O-N 2.81Å
29	I	49.6	Very low	47.7	Very low	55 Å²	55	67.4 Å²	67.4	28%	0.282	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	29.3	-170.2	-48.7	150.5	0	0	0	109.5	D25 C36 H68	D25-I29 WeakPolarHBondContact O-CA 3.45Å; D25-I29 PolarHBondContact O-N 2.86Å; I29-C36 HydrophobicContact CG2-CB 4.23Å; I29-C36 PolarHBondContact O-N 3.4Å; I29-H68 WeakPolarHBondContact CD1-NE2 3.31Å
30	T	42.8	Very low	48	Very low	46 Å²	46	68.4 Å²	68.4	28%	0.282	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.1	176.8	57.5	0	0	0	0	108.1	D28 T34	D28-T30 HydrophobicContact CB-CG2 3.88Å; D28-T30 WeakPolarHBondContact CB-OG1 3.24Å; D28-T30 PolarHBondContact O-N 2.81Å; T30-T34 CarbonylContact C-O 3.43Å; T30-T34 WeakPolarHBondContact CA-O 3.47Å
31	C	47.5	Very low	47.9	Very low	19 Å²	19	72.4 Å²	72.4	13%	0.128	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.6	160.2	173.6	0	0	0	0	108	H23 K33 T34 C36 C49	H23-C31 WeakPolarHBondContact O-CB 3.12Å; H23-C31 PolarHBondContact O-SG 3.31Å; C31-K33 VanDerWaalsContact C-N 3.31Å; C31-K33 PolarHBondContact O-N 3.21Å; C31-T34 PolarHBondContact N-O 3.41Å; C31-T34 WeakPolarHBondContact O-CA 3.14Å; C31-T34 PolarHBondContact O-N 2.87Å; C31-T34 VanDerWaalsContact O-O 3.08Å; C31-T34 PolarHBondContact O-OG1 2.86Å; C31-C36 VanDerWaalsContact CB-SG 3.59Å; C31-C49 HydrophobicContact CB-CB 3.43Å; C31-C49 VanDerWaalsContact CB-CB 3.43Å; C31-C49 WeakPolarHBondContact CB-SG 3.39Å; C31-C49 WeakPolarHBondContact SG-CB 3.25Å; C31-C49 CovalentContact SG-SG 1.99Å; C31-C49 PolarHBondContact SG-SG 3.39Å
32	N	51.7	Low	47.9	Very low	140 Å²	140	73.3 Å²	73.3	75%	0.749	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	45.9	177.3	-154.5	9.7	0	0	0	113.9	T34	N32-T34 PolarHBondContact O-N 2.85Å
33	K	52.5	Low	47.8	Very low	194 Å²	194	76.6 Å²	76.6	84%	0.843	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	13.2	-175.6	-50.6	177.6	178.5	178.6	0	115.4	C31	C31-K33 VanDerWaalsContact C-N 3.31Å; C31-K33 PolarHBondContact O-N 3.21Å
34	T	47.5	Very low	47.6	Very low	31 Å²	31	78.3 Å²	78.3	19%	0.19	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	156.9	175.1	58.1	0	0	0	0	110.7	T30 C31 N32 K51	T30-T34 CarbonylContact C-O 3.43Å; T30-T34 WeakPolarHBondContact CA-O 3.47Å; C31-T34 PolarHBondContact N-O 3.41Å; C31-T34 WeakPolarHBondContact O-CA 3.14Å; C31-T34 PolarHBondContact O-N 2.87Å; C31-T34 VanDerWaalsContact O-O 3.08Å; C31-T34 PolarHBondContact O-OG1 2.86Å; N32-T34 PolarHBondContact O-N 2.85Å; T34-K51 HydrophobicContact CG2-CD 4.34Å; T34-K51 HydrophobicContact CG2-CG 4.29Å
35	V	53.5	Low	47.8	Very low	59 Å²	59	80 Å²	80	36%	0.358	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	145.9	-176	-166.2	0	0	0	0	110.2	E50 F61	V35-E50 PolarHBondContact O-N 3.27Å; V35-E50 VanDerWaalsContact O-N 3.12Å; V35-F61 HydrophobicContact CB-CE2 4.37Å; V35-F61 HydrophobicContact CB-CZ 4.05Å; V35-F61 HydrophobicContact CG1-CE2 4.02Å; V35-F61 HydrophobicContact CG1-CZ 3.71Å
36	C	50.2	Low	47.8	Very low	12 Å²	12	76.9 Å²	76.9	8%	0.081	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.8	170.9	-77	0	0	0	0	112.2	C24 I29 C31 L47	C24-C36 HydrophobicContact CB-CB 4.07Å; C24-C36 WeakPolarHBondContact CB-SG 3.32Å; C24-C36 WeakPolarHBondContact SG-CB 3.41Å; C24-C36 CovalentContact SG-SG 2.02Å; C24-C36 PolarHBondContact SG-SG 2.74Å; I29-C36 HydrophobicContact CG2-CB 4.23Å; I29-C36 PolarHBondContact O-N 3.4Å; C31-C36 VanDerWaalsContact CB-SG 3.59Å; C36-L47 HydrophobicContact CB-CD1 4.27Å
37	C	50.5	Low	47.7	Very low	15 Å²	15	75.9 Å²	75.9	10%	0.101	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	164.4	178.5	-36.8	0	0	0	0	110.7	L47 C48 C54 F61	C37-L47 VanDerWaalsContact C-CD2 3.45Å; C37-L47 CarbonylContact O-C 3.4Å; C37-L47 WeakPolarHBondContact O-CA 3.01Å; C37-L47 WeakPolarHBondContact O-CB 3.26Å; C37-L47 VanDerWaalsContact O-CD2 3.31Å; C37-L47 WeakPolarHBondContact O-CD2 3.45Å; C37-C48 PolarHBondContact N-O 2.88Å; C37-C48 PolarHBondContact O-N 3.27Å; C37-C48 VanDerWaalsContact O-O 3.07Å; C37-C54 HydrophobicContact CB-CB 3.93Å; C37-C54 WeakPolarHBondContact CB-SG 2.93Å; C37-F61 HydrophobicContact CB-CD2 4.08Å; C37-F61 HydrophobicContact CB-CE2 4.26Å; C37-F61 VanDerWaalsContact SG-CD2 3.57Å; C37-F61 WeakPolarHBondContact SG-CE2 3.42Å
38	A	53	Low	47.9	Very low	42 Å²	42	73.1 Å²	73.1	35%	0.347	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134	173	0	0	0	0	0	111.1	L47	A38-L47 HydrophobicContact CB-CD2 4.42Å
39	S	47.8	Very low	48.5	Very low	19 Å²	19	68 Å²	68	13%	0.133	40%	0.395	C	S	.	.			trans	-74.2	137.5	169.4	-172.4	0	0	0	0	110.2	D41 S46 C48	S39-D41 VanDerWaalsContact C-N 3.31Å; S39-D41 PolarHBondContact OG-N 3.44Å; S39-D41 PolarHBondContact OG-OD2 2.94Å; S39-S46 WeakPolarHBondContact CB-O 3.14Å; S39-S46 PolarHBondContact N-O 2.81Å; S39-C48 WeakPolarHBondContact CB-SG 3.3Å; S39-C48 PolarHBondContact OG-SG 3.23Å; S39-C48 VanDerWaalsContact OG-SG 3.34Å
40	E	50.3	Low	48.5	Very low	140 Å²	140	70.5 Å²	70.5	65%	0.654	41%	0.406	S	S	*	.			trans	-86.2	6.8	172.4	-86.4	-161.5	156.6	0	0	113.7	G42 P55	E40-G42 PolarHBondContact O-N 2.82Å; E40-P55 HydrophobicContact CB-CG 4.1Å; E40-P55 HydrophobicContact CG-CG 3.52Å; E40-P55 VanDerWaalsContact OE2-CG 3.26Å; E40-P55 WeakPolarHBondContact OE2-CG 3.03Å
41	D	47.8	Very low	48.9	Very low	128 Å²	128	76.2 Å²	76.2	68%	0.684	43%	0.427	S	S	*	.	S	Bend	trans	-65.2	20	-179.7	-77.6	-42.6	0	0	0	114.9	S39 K43	S39-D41 VanDerWaalsContact C-N 3.31Å; S39-D41 PolarHBondContact OG-N 3.44Å; S39-D41 PolarHBondContact OG-OD2 2.94Å; D41-K43 PolarHBondContact O-N 3.31Å
42	G	46.3	Very low	49.2	Very low	65 Å²	65	81.2 Å²	81.2	67%	0.67	45%	0.452	S	S	*	.	S	Bend	trans	66.5	-6.5	178.7	0	0	0	0	0	113.8	E40 T44	E40-G42 PolarHBondContact O-N 2.82Å; G42-T44 VanDerWaalsContact C-N 3.29Å; G42-T44 PolarHBondContact O-N 2.92Å
43	K	44.7	Very low	49	Very low	155 Å²	155	77.7 Å²	77.7	67%	0.674	45%	0.449	S	S	*	.			trans	-82	81	171.6	-66.2	-175.5	-175.6	175.3	0	108	D41 G45 S46	D41-K43 PolarHBondContact O-N 3.31Å; K43-G45 PolarHBondContact O-N 3.03Å; K43-S46 PolarHBondContact O-N 3.28Å
44	T	44	Very low	48.8	Very low	152 Å²	152	69.4 Å²	69.4	93%	0.933	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.2	107.3	171.8	-43.1	0	0	0	0	109.9	G42	G42-T44 VanDerWaalsContact C-N 3.29Å; G42-T44 PolarHBondContact O-N 2.92Å
45	G	44.8	Very low	48.7	Very low	50 Å²	50	70.4 Å²	70.4	52%	0.515	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	114.6	-9.4	178.6	0	0	0	0	0	116.4	K43 L47	K43-G45 PolarHBondContact O-N 3.03Å; G45-L47 PolarHBondContact O-N 2.87Å
46	S	45.4	Very low	48.4	Very low	41 Å²	41	73.3 Å²	73.3	29%	0.287	45%	0.445	S	S	.	.			trans	-78.1	120.8	173.5	-167.5	0	0	0	0	110	S39 K43	S39-S46 WeakPolarHBondContact CB-O 3.14Å; S39-S46 PolarHBondContact N-O 2.81Å; K43-S46 PolarHBondContact O-N 3.28Å
47	L	45.7	Very low	48.1	Very low	32 Å²	32	76 Å²	76	17%	0.168	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.7	166.4	-67.9	176.6	0	0	0	109.7	F21 C36 C37 A38 G45	F21-L47 HydrophobicContact CB-CD1 4.16Å; F21-L47 HydrophobicContact CD1-CB 3.85Å; F21-L47 HydrophobicContact CD1-CD1 3.03Å; F21-L47 HydrophobicContact CD1-CD2 4.48Å; F21-L47 HydrophobicContact CD1-CG 3.21Å; F21-L47 HydrophobicContact CD2-CD1 4.18Å; F21-L47 HydrophobicContact CE1-CB 4.38Å; F21-L47 HydrophobicContact CE1-CD1 3.26Å; F21-L47 HydrophobicContact CE1-CD2 4.2Å; F21-L47 HydrophobicContact CE1-CG 3.32Å; F21-L47 HydrophobicContact CE2-CD1 4.35Å; F21-L47 HydrophobicContact CG-CD1 3.54Å; F21-L47 HydrophobicContact CG-CG 4.18Å; F21-L47 HydrophobicContact CZ-CD1 3.93Å; F21-L47 HydrophobicContact CZ-CG 4.35Å; C36-L47 HydrophobicContact CB-CD1 4.27Å; C37-L47 VanDerWaalsContact C-CD2 3.45Å; C37-L47 CarbonylContact O-C 3.4Å; C37-L47 WeakPolarHBondContact O-CA 3.01Å; C37-L47 WeakPolarHBondContact O-CB 3.26Å; C37-L47 VanDerWaalsContact O-CD2 3.31Å; C37-L47 WeakPolarHBondContact O-CD2 3.45Å; A38-L47 HydrophobicContact CB-CD2 4.42Å; G45-L47 PolarHBondContact O-N 2.87Å
48	C	49	Very low	48.1	Very low	26 Å²	26	80.1 Å²	80.1	18%	0.176	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	158.7	169.6	-76.8	0	0	0	0	110.5	C37 S39 C54	C37-C48 PolarHBondContact N-O 2.88Å; C37-C48 PolarHBondContact O-N 3.27Å; C37-C48 VanDerWaalsContact O-O 3.07Å; S39-C48 WeakPolarHBondContact CB-SG 3.3Å; S39-C48 PolarHBondContact OG-SG 3.23Å; S39-C48 VanDerWaalsContact OG-SG 3.34Å; C48-C54 VanDerWaalsContact CB-SG 3.53Å
49	C	53.1	Low	47.8	Very low	7 Å²	7	84.4 Å²	84.4	5%	0.047	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.2	173.7	-41.6	0	0	0	0	108.6	C31 K51 D52 C54	C31-C49 HydrophobicContact CB-CB 3.43Å; C31-C49 VanDerWaalsContact CB-CB 3.43Å; C31-C49 WeakPolarHBondContact CB-SG 3.39Å; C31-C49 WeakPolarHBondContact SG-CB 3.25Å; C31-C49 CovalentContact SG-SG 1.99Å; C31-C49 PolarHBondContact SG-SG 3.39Å; C49-K51 PolarHBondContact O-N 2.73Å; C49-D52 HydrophobicContact CB-CB 4.49Å; C49-D52 PolarHBondContact O-N 2.7Å; C49-C54 PolarHBondContact O-SG 2.02Å; C49-C54 VanDerWaalsContact O-SG 3.37Å
50	E	50.5	Low	47.8	Very low	108 Å²	108	88.2 Å²	88.2	51%	0.505	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-50.7	-32.7	-176.3	-163	-179.7	133.7	0	0	113.2	V35	V35-E50 PolarHBondContact O-N 3.27Å; V35-E50 VanDerWaalsContact O-N 3.12Å
51	K	52	Low	47.6	Very low	166 Å²	166	85 Å²	85	72%	0.722	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-73.2	-23.3	176.7	-83.8	-171.7	171.1	-175.4	0	115.7	T34 C49 G53	T34-K51 HydrophobicContact CG2-CD 4.34Å; T34-K51 HydrophobicContact CG2-CG 4.29Å; C49-K51 PolarHBondContact O-N 2.73Å; K51-G53 VanDerWaalsContact C-N 3.34Å; K51-G53 PolarHBondContact O-N 3.39Å
52	D	53.5	Low	47.5	Very low	124 Å²	124	82.6 Å²	82.6	66%	0.663	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-97.5	28.4	-170.2	-67.1	-48.7	0	0	0	113.2	C49	C49-D52 HydrophobicContact CB-CB 4.49Å; C49-D52 PolarHBondContact O-N 2.7Å
53	G	46	Very low	47.8	Very low	65 Å²	65	84.1 Å²	84.1	67%	0.67	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	25.3	171.2	0	0	0	0	0	115.2	K51 P55	K51-G53 VanDerWaalsContact C-N 3.34Å; K51-G53 PolarHBondContact O-N 3.39Å; G53-P55 WeakPolarHBondContact O-CD 3.15Å
54	C	48.8	Very low	48.1	Very low	20 Å²	20	79.6 Å²	79.6	14%	0.135	47%	0.467	C	S	.	.			trans	-66	127	169.9	-67.3	0	0	0	0	110.4	C37 C48 C49 S56	C37-C54 HydrophobicContact CB-CB 3.93Å; C37-C54 WeakPolarHBondContact CB-SG 2.93Å; C48-C54 VanDerWaalsContact CB-SG 3.53Å; C49-C54 PolarHBondContact O-SG 2.02Å; C49-C54 VanDerWaalsContact O-SG 3.37Å; C54-S56 PolarHBondContact O-N 3.49Å
55	P	45.3	Very low	48.5	Very low	53 Å²	53	78.6 Å²	78.6	34%	0.344	45%	0.447	S	S	.	.			trans	-68.8	119.2	175.4	18.5	-18.1	0	0	0	108.9	E40 G53 T57	E40-P55 HydrophobicContact CB-CG 4.1Å; E40-P55 HydrophobicContact CG-CG 3.52Å; E40-P55 VanDerWaalsContact OE2-CG 3.26Å; E40-P55 WeakPolarHBondContact OE2-CG 3.03Å; G53-P55 WeakPolarHBondContact O-CD 3.15Å; P55-T57 PolarHBondContact O-N 3.42Å
56	S	46.8	Very low	48.9	Very low	120 Å²	120	83 Å²	83	84%	0.839	45%	0.448	S	S	*	.			trans	-75.1	53.3	-177.6	56.3	0	0	0	0	112.1	C54 P58	C54-S56 PolarHBondContact O-N 3.49Å; S56-P58 WeakPolarHBondContact O-CD 2.85Å
57	T	45.6	Very low	49.4	Very low	67 Å²	67	88 Å²	88	41%	0.411	46%	0.461	S	S	.	.			trans	-87.5	111	166.7	58.3	0	0	0	0	108.5	P55 D59 L60	P55-T57 PolarHBondContact O-N 3.42Å; T57-D59 PolarHBondContact O-N 3Å; T57-D59 VanDerWaalsContact O-N 3.15Å; T57-L60 PolarHBondContact O-N 1.99Å
58	P	50.5	Low	49.9	Very low	103 Å²	103	89.4 Å²	89.4	67%	0.669	47%	0.466	S	S	*	.	H	α-helix	trans	-62	-26.4	-170.3	20.7	-31.2	0	0	0	113.6	S56 L62	S56-P58 WeakPolarHBondContact O-CD 2.85Å; P58-L62 WeakPolarHBondContact O-CB 3.18Å; P58-L62 PolarHBondContact O-N 3.02Å; P58-L62 VanDerWaalsContact O-N 3.15Å
59	D	46.6	Very low	50	Low	132 Å²	132	95.6 Å²	95.6	71%	0.706	49%	0.486	S	S	*	.	H	α-helix	trans	-68.6	-47.2	-178.2	-92.9	-76.4	0	0	0	113.6	T57 L62 E63	T57-D59 PolarHBondContact O-N 3Å; T57-D59 VanDerWaalsContact O-N 3.15Å; D59-L62 PolarHBondContact O-N 2.92Å; D59-E63 PolarHBondContact O-N 2.82Å
60	L	47.1	Very low	50.4	Low	98 Å²	98	104 Å²	104	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-70	-36.9	-178.3	-96.3	142.1	0	0	0	112	T57 E63 N64	T57-L60 PolarHBondContact O-N 1.99Å; L60-E63 PolarHBondContact O-N 2.92Å; L60-N64 WeakPolarHBondContact O-CB 3.37Å; L60-N64 PolarHBondContact O-N 3.48Å; L60-N64 PolarHBondContact O-ND2 2.85Å
61	F	45.8	Very low	50.6	Low	73 Å²	73	103.8 Å²	103.8	32%	0.32	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-45.6	174.8	-175.7	-99.2	0	0	0	111.2	V35 C37 E63 N64 Y65	V35-F61 HydrophobicContact CB-CE2 4.37Å; V35-F61 HydrophobicContact CB-CZ 4.05Å; V35-F61 HydrophobicContact CG1-CE2 4.02Å; V35-F61 HydrophobicContact CG1-CZ 3.71Å; C37-F61 HydrophobicContact CB-CD2 4.08Å; C37-F61 HydrophobicContact CB-CE2 4.26Å; C37-F61 VanDerWaalsContact SG-CD2 3.57Å; C37-F61 WeakPolarHBondContact SG-CE2 3.42Å; F61-E63 VanDerWaalsContact C-N 3.32Å; F61-E63 PolarHBondContact O-N 3.41Å; F61-N64 PolarHBondContact O-N 3.44Å; F61-Y65 VanDerWaalsContact O-CB 3.32Å; F61-Y65 WeakPolarHBondContact O-CB 3.46Å; F61-Y65 PolarHBondContact O-N 3.35Å
62	L	46.3	Very low	50.7	Low	78 Å²	78	101.2 Å²	101.2	41%	0.408	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-39.8	178.8	-170.5	68	0	0	0	111.5	P58 D59 R66	P58-L62 WeakPolarHBondContact O-CB 3.18Å; P58-L62 PolarHBondContact O-N 3.02Å; P58-L62 VanDerWaalsContact O-N 3.15Å; D59-L62 PolarHBondContact O-N 2.92Å; L62-R66 WeakPolarHBondContact O-CB 3.27Å; L62-R66 VanDerWaalsContact O-CG 3.24Å; L62-R66 WeakPolarHBondContact O-CG 3.39Å; L62-R66 PolarHBondContact O-N 3.24Å
63	E	52.9	Low	50.9	Low	96 Å²	96	99.2 Å²	99.2	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-43.7	178	-159.4	-175.3	139.2	0	0	112	D59 L60 F61 R66 R67	D59-E63 PolarHBondContact O-N 2.82Å; L60-E63 PolarHBondContact O-N 2.92Å; F61-E63 VanDerWaalsContact C-N 3.32Å; F61-E63 PolarHBondContact O-N 3.41Å; E63-R66 WeakPolarHBondContact O-CB 3.48Å; E63-R66 PolarHBondContact O-N 3.11Å; E63-R67 WeakPolarHBondContact O-CG 3.41Å; E63-R67 PolarHBondContact O-N 3.49Å; E63-R67 IonicContact OE1-CZ 3.32Å; E63-R67 VanDerWaalsContact OE1-CZ 3.32Å; E63-R67 IonicContact OE1-NE 3.24Å; E63-R67 PolarHBondContact OE1-NE 3.26Å; E63-R67 IonicContact OE1-NH2 2.7Å; E63-R67 PolarHBondContact OE1-NH2 3.5Å
64	N	51.2	Low	51.3	Low	60 Å²	60	103.4 Å²	103.4	32%	0.321	49%	0.491	S	S	.	.	H	α-helix	trans	-65.2	-43	176.7	-80.5	-28.1	0	0	0	112	L60 F61 R66 R67 H68	L60-N64 WeakPolarHBondContact O-CB 3.37Å; L60-N64 PolarHBondContact O-N 3.48Å; L60-N64 PolarHBondContact O-ND2 2.85Å; F61-N64 PolarHBondContact O-N 3.44Å; N64-R66 VanDerWaalsContact C-N 3.3Å; N64-R66 PolarHBondContact O-N 3.36Å; N64-R67 PolarHBondContact O-N 2.84Å; N64-H68 WeakPolarHBondContact O-CB 3.31Å; N64-H68 PolarHBondContact O-N 2.93Å
65	Y	51	Low	51.5	Low	131 Å²	131	105.9 Å²	105.9	51%	0.514	50%	0.503	S	S	.	.	H	α-helix	trans	-59.8	-41.6	173.2	-178.9	-100.7	0	0	0	111.5	F61 H68 R69	F61-Y65 VanDerWaalsContact O-CB 3.32Å; F61-Y65 WeakPolarHBondContact O-CB 3.46Å; F61-Y65 PolarHBondContact O-N 3.35Å; Y65-H68 PolarHBondContact O-N 3.12Å; Y65-R69 WeakPolarHBondContact O-CB 3.46Å; Y65-R69 PolarHBondContact O-N 2.82Å
66	R	53.5	Low	52	Low	142 Å²	142	108.1 Å²	108.1	54%	0.536	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-44.5	174.6	-78.3	176.6	-170.6	-174.9	5.3	112.2	L62 E63 N64 H68 R69 R70	L62-R66 WeakPolarHBondContact O-CB 3.27Å; L62-R66 VanDerWaalsContact O-CG 3.24Å; L62-R66 WeakPolarHBondContact O-CG 3.39Å; L62-R66 PolarHBondContact O-N 3.24Å; E63-R66 WeakPolarHBondContact O-CB 3.48Å; E63-R66 PolarHBondContact O-N 3.11Å; N64-R66 VanDerWaalsContact C-N 3.3Å; N64-R66 PolarHBondContact O-N 3.36Å; R66-H68 VanDerWaalsContact C-N 3.3Å; R66-H68 PolarHBondContact O-N 2.8Å; R66-R69 PolarHBondContact O-N 3.37Å; R66-R70 WeakPolarHBondContact O-CG 3.32Å; R66-R70 PolarHBondContact O-N 2.93Å
67	R	56.3	Low	52.5	Low	148 Å²	148	107.6 Å²	107.6	56%	0.558	49%	0.493	S	S	*	.	H	α-helix	trans	-60	-44.4	175.7	-74.6	179.5	-173.7	-166.9	2.3	110.4	E63 N64 R70 M71	E63-R67 WeakPolarHBondContact O-CG 3.41Å; E63-R67 PolarHBondContact O-N 3.49Å; E63-R67 IonicContact OE1-CZ 3.32Å; E63-R67 VanDerWaalsContact OE1-CZ 3.32Å; E63-R67 IonicContact OE1-NE 3.24Å; E63-R67 PolarHBondContact OE1-NE 3.26Å; E63-R67 IonicContact OE1-NH2 2.7Å; E63-R67 PolarHBondContact OE1-NH2 3.5Å; N64-R67 PolarHBondContact O-N 2.84Å; R67-R70 WeakPolarHBondContact O-CB 3.24Å; R67-R70 PolarHBondContact O-N 2.85Å; R67-M71 PolarHBondContact O-N 3.24Å
68	H	56	Low	52.8	Low	60 Å²	60	106.4 Å²	106.4	28%	0.278	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-45.5	177.4	-161.6	91.2	0	0	0	111.9	I29 N64 Y65 R66 R70 M71 K72	I29-H68 WeakPolarHBondContact CD1-NE2 3.31Å; N64-H68 WeakPolarHBondContact O-CB 3.31Å; N64-H68 PolarHBondContact O-N 2.93Å; Y65-H68 PolarHBondContact O-N 3.12Å; R66-H68 VanDerWaalsContact C-N 3.3Å; R66-H68 PolarHBondContact O-N 2.8Å; H68-R70 VanDerWaalsContact C-N 3.33Å; H68-R70 PolarHBondContact O-N 3.22Å; H68-M71 PolarHBondContact O-N 2.96Å; H68-M71 VanDerWaalsContact O-N 3.11Å; H68-K72 PolarHBondContact O-N 3.41Å
69	R	51.7	Low	52.7	Low	156 Å²	156	104.8 Å²	104.8	59%	0.589	48%	0.476	S	S	*	.	H	α-helix	trans	-61.4	-40.4	175.8	-168.3	-179.4	-177.4	-167.1	3	112.1	Y65 R66 M71 K72 N73	Y65-R69 WeakPolarHBondContact O-CB 3.46Å; Y65-R69 PolarHBondContact O-N 2.82Å; R66-R69 PolarHBondContact O-N 3.37Å; R69-M71 VanDerWaalsContact C-N 3.31Å; R69-M71 PolarHBondContact O-N 3.49Å; R69-K72 PolarHBondContact O-N 2.86Å; R69-N73 WeakPolarHBondContact O-CB 3.37Å; R69-N73 VanDerWaalsContact O-CG 3.25Å; R69-N73 PolarHBondContact O-N 3.36Å; R69-N73 PolarHBondContact O-OD1 2.96Å
70	R	60.3	Low	53.1	Low	183 Å²	183	105.7 Å²	105.7	69%	0.691	47%	0.474	S	S	*	.	H	α-helix	trans	-61.2	-42.5	173.5	-73.8	177.6	-175.2	173.7	1.8	111.2	R66 R67 H68 N73 Y74	R66-R70 WeakPolarHBondContact O-CG 3.32Å; R66-R70 PolarHBondContact O-N 2.93Å; R67-R70 WeakPolarHBondContact O-CB 3.24Å; R67-R70 PolarHBondContact O-N 2.85Å; H68-R70 VanDerWaalsContact C-N 3.33Å; H68-R70 PolarHBondContact O-N 3.22Å; R70-N73 PolarHBondContact O-N 3.46Å; R70-Y74 WeakPolarHBondContact O-CB 3.36Å; R70-Y74 PolarHBondContact O-N 2.74Å
71	M	55.5	Low	53.2	Low	105 Å²	105	109.7 Å²	109.7	52%	0.517	48%	0.483	S	S	.	.	H	α-helix	trans	-69.4	-40.9	-179.6	-140.6	157.6	78.5	0	0	111.8	R67 H68 R69 Y74 L75	R67-M71 PolarHBondContact O-N 3.24Å; H68-M71 PolarHBondContact O-N 2.96Å; H68-M71 VanDerWaalsContact O-N 3.11Å; R69-M71 VanDerWaalsContact C-N 3.31Å; R69-M71 PolarHBondContact O-N 3.49Å; M71-Y74 WeakPolarHBondContact O-CB 3.46Å; M71-Y74 PolarHBondContact O-N 3.42Å; M71-L75 VanDerWaalsContact O-CG 3.31Å; M71-L75 WeakPolarHBondContact O-CG 3.35Å; M71-L75 PolarHBondContact O-N 2.79Å
72	K	54.9	Low	52.9	Low	112 Å²	112	114.1 Å²	114.1	49%	0.487	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-48	172.3	-176.6	176.1	177.4	174.2	0	111.4	H68 R69 Y74 L75 E76	H68-K72 PolarHBondContact O-N 3.41Å; R69-K72 PolarHBondContact O-N 2.86Å; K72-Y74 VanDerWaalsContact C-N 3.3Å; K72-Y74 PolarHBondContact O-N 3.34Å; K72-L75 PolarHBondContact O-N 3.32Å; K72-E76 VanDerWaalsContact CE-OE1 3.22Å; K72-E76 WeakPolarHBondContact CE-OE1 3.15Å; K72-E76 WeakPolarHBondContact O-CG 3.41Å; K72-E76 PolarHBondContact O-N 3.42Å
73	N	57.6	Low	52.7	Low	81 Å²	81	120 Å²	120	43%	0.433	53%	0.529	S	S	.	.	H	α-helix	trans	-60.9	-40.8	176.5	-73.6	2.4	0	0	0	111.6	R69 R70 E76 E77	R69-N73 WeakPolarHBondContact O-CB 3.37Å; R69-N73 VanDerWaalsContact O-CG 3.25Å; R69-N73 PolarHBondContact O-N 3.36Å; R69-N73 PolarHBondContact O-OD1 2.96Å; R70-N73 PolarHBondContact O-N 3.46Å; N73-E76 PolarHBondContact O-N 3.42Å; N73-E77 WeakPolarHBondContact O-CB 3.49Å; N73-E77 PolarHBondContact O-N 3.15Å
74	Y	54.6	Low	52.6	Low	153 Å²	153	121.3 Å²	121.3	60%	0.6	53%	0.533	S	S	*	.	H	α-helix	trans	-62.1	-44.4	175.7	179.9	-99.1	0	0	0	111.4	R70 M71 K72 E77 V78	R70-Y74 WeakPolarHBondContact O-CB 3.36Å; R70-Y74 PolarHBondContact O-N 2.74Å; M71-Y74 WeakPolarHBondContact O-CB 3.46Å; M71-Y74 PolarHBondContact O-N 3.42Å; K72-Y74 VanDerWaalsContact C-N 3.3Å; K72-Y74 PolarHBondContact O-N 3.34Å; Y74-E77 PolarHBondContact O-N 2.7Å; Y74-V78 HydrophobicContact CD1-CG2 4.13Å; Y74-V78 HydrophobicContact CD2-CG2 4.42Å; Y74-V78 HydrophobicContact CE1-CG2 3.73Å; Y74-V78 HydrophobicContact CE2-CG2 4.06Å; Y74-V78 HydrophobicContact CG-CG2 4.46Å; Y74-V78 WeakPolarHBondContact O-CB 3.36Å; Y74-V78 VanDerWaalsContact O-CG2 3.24Å; Y74-V78 WeakPolarHBondContact O-CG2 3.36Å; Y74-V78 PolarHBondContact O-N 3.46Å
75	L	52.5	Low	52.7	Low	72 Å²	72	124.5 Å²	124.5	38%	0.377	54%	0.544	S	S	.	.	H	α-helix	trans	-63.7	-44.5	176	-70.7	169.7	0	0	0	111.7	M71 K72 E77 V78 C79	M71-L75 VanDerWaalsContact O-CG 3.31Å; M71-L75 WeakPolarHBondContact O-CG 3.35Å; M71-L75 PolarHBondContact O-N 2.79Å; K72-L75 PolarHBondContact O-N 3.32Å; L75-E77 VanDerWaalsContact C-N 3.31Å; L75-E77 PolarHBondContact O-N 3.24Å; L75-V78 PolarHBondContact O-N 2.99Å; L75-C79 VanDerWaalsContact O-CB 3.29Å; L75-C79 WeakPolarHBondContact O-CB 3.42Å; L75-C79 PolarHBondContact O-N 2.92Å; L75-C79 PolarHBondContact O-SG 3.03Å; L75-C79 VanDerWaalsContact O-SG 3.34Å
76	E	54.7	Low	52.8	Low	101 Å²	101	124.1 Å²	124.1	47%	0.472	55%	0.546	S	S	.	.	H	α-helix	trans	-60.5	-40.4	175	-76.1	-179.1	-176.7	0	0	111.8	K72 N73 K80	K72-E76 VanDerWaalsContact CE-OE1 3.22Å; K72-E76 WeakPolarHBondContact CE-OE1 3.15Å; K72-E76 WeakPolarHBondContact O-CG 3.41Å; K72-E76 PolarHBondContact O-N 3.42Å; N73-E76 PolarHBondContact O-N 3.42Å; E76-K80 WeakPolarHBondContact O-CG 3.26Å; E76-K80 PolarHBondContact O-N 3.38Å; E76-K80 VanDerWaalsContact O-N 3.16Å
77	E	57.7	Low	52.8	Low	108 Å²	108	123.1 Å²	123.1	51%	0.505	55%	0.547	S	S	.	.	H	α-helix	trans	-67	-46.6	177.2	-168.7	-179.9	153.4	0	0	111.8	N73 Y74 L75 C79 K80 Y81	N73-E77 WeakPolarHBondContact O-CB 3.49Å; N73-E77 PolarHBondContact O-N 3.15Å; Y74-E77 PolarHBondContact O-N 2.7Å; L75-E77 VanDerWaalsContact C-N 3.31Å; L75-E77 PolarHBondContact O-N 3.24Å; E77-C79 PolarHBondContact O-N 3.24Å; E77-K80 WeakPolarHBondContact O-CB 3.48Å; E77-K80 PolarHBondContact O-N 3.15Å; E77-Y81 HydrophobicContact CG-CE2 4.33Å; E77-Y81 VanDerWaalsContact O-CD2 3.22Å; E77-Y81 WeakPolarHBondContact O-CD2 3.33Å
78	V	51.3	Low	52.6	Low	42 Å²	42	121.5 Å²	121.5	26%	0.255	55%	0.546	S	S	.	.	H	α-helix	trans	-61.9	-44.6	176.6	173.2	0	0	0	0	110.2	Y74 L75 K80 Y81 Y82	Y74-V78 HydrophobicContact CD1-CG2 4.13Å; Y74-V78 HydrophobicContact CD2-CG2 4.42Å; Y74-V78 HydrophobicContact CE1-CG2 3.73Å; Y74-V78 HydrophobicContact CE2-CG2 4.06Å; Y74-V78 HydrophobicContact CG-CG2 4.46Å; Y74-V78 WeakPolarHBondContact O-CB 3.36Å; Y74-V78 VanDerWaalsContact O-CG2 3.24Å; Y74-V78 WeakPolarHBondContact O-CG2 3.36Å; Y74-V78 PolarHBondContact O-N 3.46Å; L75-V78 PolarHBondContact O-N 2.99Å; V78-K80 VanDerWaalsContact C-N 3.27Å; V78-K80 PolarHBondContact O-N 2.84Å; V78-Y81 PolarHBondContact O-N 2.69Å; V78-Y81 VanDerWaalsContact O-N 3.1Å; V78-Y82 HydrophobicContact CG1-CD2 4.21Å; V78-Y82 HydrophobicContact CG1-CE2 3.76Å; V78-Y82 WeakPolarHBondContact O-CD2 3.17Å
79	C	49.7	Very low	52.3	Low	70 Å²	70	125.6 Å²	125.6	47%	0.473	56%	0.564	S	S	.	*	H	α-helix	trans	-61.4	-30.7	178.3	-77.6	0	0	0	0	113.4	L75 E77 Y81 Y82	L75-C79 VanDerWaalsContact O-CB 3.29Å; L75-C79 WeakPolarHBondContact O-CB 3.42Å; L75-C79 PolarHBondContact O-N 2.92Å; L75-C79 PolarHBondContact O-SG 3.03Å; L75-C79 VanDerWaalsContact O-SG 3.34Å; E77-C79 PolarHBondContact O-N 3.24Å; C79-Y81 PolarHBondContact O-N 3.06Å; C79-Y82 PolarHBondContact O-N 2.82Å; C79-Y82 VanDerWaalsContact O-N 3.08Å
80	K	53.8	Low	52.4	Low	151 Å²	151	123.4 Å²	123.4	66%	0.657	56%	0.562	S	S	*	*	H	α-helix	trans	-60.4	-30.6	174.7	-76.1	172.5	-175.6	176.7	0	113.2	E76 E77 V78 Y82	E76-K80 WeakPolarHBondContact O-CG 3.26Å; E76-K80 PolarHBondContact O-N 3.38Å; E76-K80 VanDerWaalsContact O-N 3.16Å; E77-K80 WeakPolarHBondContact O-CB 3.48Å; E77-K80 PolarHBondContact O-N 3.15Å; V78-K80 VanDerWaalsContact C-N 3.27Å; V78-K80 PolarHBondContact O-N 2.84Å; K80-Y82 PolarHBondContact O-N 3.19Å
81	Y	49.4	Very low	51.8	Low	182 Å²	182	118.8 Å²	118.8	71%	0.714	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-9.1	178.3	-70.3	-80.4	0	0	0	113.5	E77 V78 C79	E77-Y81 HydrophobicContact CG-CE2 4.33Å; E77-Y81 VanDerWaalsContact O-CD2 3.22Å; E77-Y81 WeakPolarHBondContact O-CD2 3.33Å; V78-Y81 PolarHBondContact O-N 2.69Å; V78-Y81 VanDerWaalsContact O-N 3.1Å; C79-Y81 PolarHBondContact O-N 3.06Å
82	Y	40.9	Very low	51.5	Low	165 Å²	165	120 Å²	120	65%	0.647	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	3.3	-175.9	-67.9	-76.8	0	0	0	114.3	V78 C79 K80	V78-Y82 HydrophobicContact CG1-CD2 4.21Å; V78-Y82 HydrophobicContact CG1-CE2 3.76Å; V78-Y82 WeakPolarHBondContact O-CD2 3.17Å; C79-Y82 PolarHBondContact O-N 2.82Å; C79-Y82 VanDerWaalsContact O-N 3.08Å; K80-Y82 PolarHBondContact O-N 3.19Å
83	I	40.3	Very low	51.1	Low	203 Å²	203	120.7 Å²	120.7	100%	1.041	56%	0.561	S	S	*	*			trans	-95.2	0	167.2	-59.2	175.5	0	0	0	108.5

Retrieved 83 of 83 residues in 42.9 ms (Link to these results)

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