A0A2K5V333_MACFA Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A2K5V333, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene n/a, Length 73 aa.

						>A0A2K5V333_MACFA|A0A2K5V333
MRVLFLIFGVLYLLSTVPPARSFIYIDECPSEYYNCRMKCNADEHAIRYCDDWTICCKLKNIEIEKLRRERKD
					

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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	62.1	Low	79.7	Confident	181 Å²	181	119.5 Å²	119.5	89%	0.892	60%	0.598	S	S	*	*				0	-41.1	0	-57	-46.7	-124.4	0	0	114.5	V3 L4 F5	M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.14Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-L4 HydrophobicContact SD-CD1 4.34Å; M1-F5 WeakPolarHBondContact O-CD2 3.49Å
2	R	74.9	Confident	80.1	Confident	222 Å²	222	123.3 Å²	123.3	84%	0.838	60%	0.601	S	S	*	*	H	α-helix	trans	-61.9	-34.1	-178.3	-65.8	179.6	178.2	170.5	-1.2	114.9	L4 F5 L6	R2-L4 VanDerWaalsContact C-N 3.3Å; R2-L4 PolarHBondContact O-N 3.43Å; R2-F5 PolarHBondContact O-N 3.01Å; R2-L6 PolarHBondContact O-N 3.49Å
3	V	77.8	Confident	80.1	Confident	101 Å²	101	122.5 Å²	122.5	61%	0.612	60%	0.601	S	S	*	*	H	α-helix	trans	-63.3	-36.2	179.9	-178.5	0	0	0	0	112.1	M1 F5 L6 I7	M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.14Å; V3-F5 PolarHBondContact O-N 3.19Å; V3-L6 PolarHBondContact O-N 3.3Å; V3-I7 HydrophobicContact CG1-CD1 3.91Å; V3-I7 HydrophobicContact CG1-CG1 4.5Å; V3-I7 VanDerWaalsContact O-CG1 3.32Å; V3-I7 WeakPolarHBondContact O-CG1 3.26Å; V3-I7 PolarHBondContact O-N 3.4Å; V3-I7 VanDerWaalsContact O-N 3.08Å
4	L	80.5	Confident	79.6	Confident	90 Å²	90	122.3 Å²	122.3	47%	0.471	60%	0.603	S	S	.	*	H	α-helix	trans	-64.8	-42.5	179.9	-65.7	171.9	0	0	0	111.3	M1 R2 L6 I7 F8	M1-L4 PolarHBondContact O-N 2.98Å; M1-L4 HydrophobicContact SD-CD1 4.34Å; R2-L4 VanDerWaalsContact C-N 3.3Å; R2-L4 PolarHBondContact O-N 3.43Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.25Å; L4-I7 PolarHBondContact O-N 3.02Å; L4-F8 HydrophobicContact CB-CD2 4.35Å; L4-F8 HydrophobicContact CB-CE2 4.2Å; L4-F8 WeakPolarHBondContact O-CD2 3.4Å; L4-F8 PolarHBondContact O-N 3.31Å
5	F	79.3	Confident	79	Confident	157 Å²	157	120.5 Å²	120.5	69%	0.689	61%	0.607	S	S	*	*	H	α-helix	trans	-62.9	-35	177.2	-71	-74.5	0	0	0	112.8	M1 R2 V3 G9	M1-F5 WeakPolarHBondContact O-CD2 3.49Å; R2-F5 PolarHBondContact O-N 3.01Å; V3-F5 PolarHBondContact O-N 3.19Å; F5-G9 PolarHBondContact O-N 3.29Å
6	L	82.6	Confident	78.7	Confident	126 Å²	126	117.6 Å²	117.6	66%	0.66	60%	0.597	S	S	*	*	H	α-helix	trans	-66.8	-42.9	174.5	-64.5	173	0	0	0	111.2	R2 V3 L4 G9 V10	R2-L6 PolarHBondContact O-N 3.49Å; V3-L6 PolarHBondContact O-N 3.3Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.25Å; L6-G9 PolarHBondContact O-N 2.92Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3.18Å
7	I	84.9	Confident	78	Confident	86 Å²	86	116 Å²	116	44%	0.441	60%	0.595	S	S	.	*	H	α-helix	trans	-63.4	-48.1	177.6	-63.9	162.7	0	0	0	110.6	V3 L4 G9 V10 L11	V3-I7 HydrophobicContact CG1-CD1 3.91Å; V3-I7 HydrophobicContact CG1-CG1 4.5Å; V3-I7 VanDerWaalsContact O-CG1 3.32Å; V3-I7 WeakPolarHBondContact O-CG1 3.26Å; V3-I7 PolarHBondContact O-N 3.4Å; V3-I7 VanDerWaalsContact O-N 3.08Å; L4-I7 PolarHBondContact O-N 3.02Å; I7-G9 VanDerWaalsContact C-N 3.33Å; I7-G9 PolarHBondContact O-N 3.18Å; I7-V10 PolarHBondContact O-N 2.84Å; I7-L11 HydrophobicContact CG2-CD1 3.86Å; I7-L11 HydrophobicContact CG2-CG 4.43Å; I7-L11 WeakPolarHBondContact O-CB 3.46Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 3.31Å
8	F	83.6	Confident	77.2	Confident	135 Å²	135	115.4 Å²	115.4	59%	0.592	60%	0.599	S	S	*	*	H	α-helix	trans	-63.6	-37.7	178.1	-73.2	-62	0	0	0	112.6	L4 L11 Y12	L4-F8 HydrophobicContact CB-CD2 4.35Å; L4-F8 HydrophobicContact CB-CE2 4.2Å; L4-F8 WeakPolarHBondContact O-CD2 3.4Å; L4-F8 PolarHBondContact O-N 3.31Å; F8-L11 PolarHBondContact O-N 3.42Å; F8-Y12 WeakPolarHBondContact O-CB 3.45Å; F8-Y12 PolarHBondContact O-N 2.97Å
9	G	85.4	Confident	76.2	Confident	34 Å²	34	115.1 Å²	115.1	35%	0.351	61%	0.605	S	S	.	*	H	α-helix	trans	-63.8	-43	175.3	0	0	0	0	0	112.9	F5 L6 I7 Y12 L13	F5-G9 PolarHBondContact O-N 3.29Å; L6-G9 PolarHBondContact O-N 2.92Å; I7-G9 VanDerWaalsContact C-N 3.33Å; I7-G9 PolarHBondContact O-N 3.18Å; G9-Y12 PolarHBondContact O-N 3.16Å; G9-L13 WeakPolarHBondContact O-CG 3.41Å; G9-L13 PolarHBondContact O-N 2.04Å
10	V	83.9	Confident	75.3	Confident	86 Å²	86	114.7 Å²	114.7	52%	0.521	62%	0.619	S	S	.	*	H	α-helix	trans	-66.7	-42.1	176.8	173.7	0	0	0	0	111.3	L6 I7 Y12 L13 L14	L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.41Å; L6-V10 PolarHBondContact O-N 3.18Å; I7-V10 PolarHBondContact O-N 2.84Å; V10-Y12 VanDerWaalsContact C-N 3.33Å; V10-Y12 PolarHBondContact O-N 3.33Å; V10-L13 PolarHBondContact O-N 2.82Å; V10-L14 HydrophobicContact CG1-CD1 3.99Å; V10-L14 WeakPolarHBondContact O-CG 3.01Å; V10-L14 PolarHBondContact O-N 2.87Å
11	L	82.2	Confident	74.4	Confident	97 Å²	97	118.4 Å²	118.4	51%	0.508	62%	0.624	S	S	.	*	H	α-helix	trans	-62.3	-40.7	175.8	-73	168.9	0	0	0	112	I7 F8 L14 S15	I7-L11 HydrophobicContact CG2-CD1 3.86Å; I7-L11 HydrophobicContact CG2-CG 4.43Å; I7-L11 WeakPolarHBondContact O-CB 3.46Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.45Å; I7-L11 PolarHBondContact O-N 3.31Å; F8-L11 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 3.23Å; L11-S15 WeakPolarHBondContact O-CB 3.01Å; L11-S15 PolarHBondContact O-N 2.79Å
12	Y	83.9	Confident	73.9	Confident	164 Å²	164	114.9 Å²	114.9	64%	0.643	62%	0.618	S	S	*	*	H	α-helix	trans	-62.9	-46	175.9	-176.9	-100.5	0	0	0	111.4	F8 G9 V10 L14 S15 T16	F8-Y12 WeakPolarHBondContact O-CB 3.45Å; F8-Y12 PolarHBondContact O-N 2.97Å; G9-Y12 PolarHBondContact O-N 3.16Å; V10-Y12 VanDerWaalsContact C-N 3.33Å; V10-Y12 PolarHBondContact O-N 3.33Å; Y12-L14 VanDerWaalsContact C-N 3.35Å; Y12-L14 PolarHBondContact O-N 3.05Å; Y12-S15 WeakPolarHBondContact O-CB 3.48Å; Y12-S15 PolarHBondContact O-N 3Å; Y12-S15 VanDerWaalsContact O-N 3.14Å; Y12-T16 HydrophobicContact CD1-CG2 4.21Å; Y12-T16 HydrophobicContact CE1-CG2 3.84Å; Y12-T16 HydrophobicContact CE2-CG2 4.38Å; Y12-T16 WeakPolarHBondContact O-CG2 3.09Å; Y12-T16 PolarHBondContact O-N 3.32Å; Y12-T16 PolarHBondContact O-OG1 2.85Å
13	L	79.9	Confident	72.7	Confident	114 Å²	114	111.7 Å²	111.7	60%	0.597	61%	0.61	S	S	*	*	H	α-helix	trans	-59.6	-44.1	175.9	-75.1	165.5	0	0	0	112	G9 V10 S15 T16	G9-L13 WeakPolarHBondContact O-CG 3.41Å; G9-L13 PolarHBondContact O-N 2.04Å; V10-L13 PolarHBondContact O-N 2.82Å; L13-S15 VanDerWaalsContact C-N 3.3Å; L13-S15 PolarHBondContact O-N 3.45Å; L13-T16 PolarHBondContact O-N 3.44Å; L13-T16 PolarHBondContact O-OG1 3.44Å
14	L	74	Confident	71.3	Confident	119 Å²	119	113.2 Å²	113.2	62%	0.623	61%	0.614	S	S	*	*	H	α-helix	trans	-64.2	-33.4	176.1	-72.5	167.2	0	0	0	112.7	V10 L11 Y12	V10-L14 HydrophobicContact CG1-CD1 3.99Å; V10-L14 WeakPolarHBondContact O-CG 3.01Å; V10-L14 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.23Å; Y12-L14 VanDerWaalsContact C-N 3.35Å; Y12-L14 PolarHBondContact O-N 3.05Å
15	S	70.8	Confident	69.7	Low	95 Å²	95	117.7 Å²	117.7	66%	0.664	63%	0.626	S	S	*	*	H	α-helix	trans	-74.7	-27.5	176.3	174.5	0	0	0	0	113.6	L11 Y12 L13 V17	L11-S15 WeakPolarHBondContact O-CB 3.01Å; L11-S15 PolarHBondContact O-N 2.79Å; Y12-S15 WeakPolarHBondContact O-CB 3.48Å; Y12-S15 PolarHBondContact O-N 3Å; Y12-S15 VanDerWaalsContact O-N 3.14Å; L13-S15 VanDerWaalsContact C-N 3.3Å; L13-S15 PolarHBondContact O-N 3.45Å; S15-V17 VanDerWaalsContact C-N 3.27Å
16	T	73.1	Confident	68.5	Low	74 Å²	74	114.2 Å²	114.2	45%	0.454	61%	0.613	S	S	.	*	H	α-helix	trans	-79.3	-11.2	178.9	55.6	0	0	0	0	113.4	Y12 L13 P18	Y12-T16 HydrophobicContact CD1-CG2 4.21Å; Y12-T16 HydrophobicContact CE1-CG2 3.84Å; Y12-T16 HydrophobicContact CE2-CG2 4.38Å; Y12-T16 WeakPolarHBondContact O-CG2 3.09Å; Y12-T16 PolarHBondContact O-N 3.32Å; Y12-T16 PolarHBondContact O-OG1 2.85Å; L13-T16 PolarHBondContact O-N 3.44Å; L13-T16 PolarHBondContact O-OG1 3.44Å; T16-P18 VanDerWaalsContact O-CD 3.22Å; T16-P18 WeakPolarHBondContact O-CD 3.3Å
17	V	67.2	Low	67.1	Low	91 Å²	91	111.6 Å²	111.6	55%	0.552	60%	0.6	S	S	*	*	S	Bend	trans	-70.2	113.7	169.9	-177.2	0	0	0	0	106.9	S15	S15-V17 VanDerWaalsContact C-N 3.27Å
18	P	63	Low	66.2	Low	105 Å²	105	114.9 Å²	114.9	68%	0.682	61%	0.614	S	S	*	*			trans	-55.1	130.3	170.6	-15.2	28.1	0	0	0	106.3	T16 A20	T16-P18 VanDerWaalsContact O-CD 3.22Å; T16-P18 WeakPolarHBondContact O-CD 3.3Å; P18-A20 PolarHBondContact O-N 3.03Å
19	P	59.5	Low	65.8	Low	109 Å²	109	109.5 Å²	109.5	71%	0.708	59%	0.592	S	S	*	*			trans	-50.1	124.5	174.7	19.8	-30	0	0	0	107	R21	P19-R21 HydrophobicContact CB-CB 4.48Å; P19-R21 PolarHBondContact O-N 3.18Å
20	A	57.3	Low	65.2	Low	108 Å²	108	110.6 Å²	110.6	89%	0.893	59%	0.593	S	S	*	*	S	Bend	trans	-69.7	48.9	177.2	0	0	0	0	0	110.7	P18	P18-A20 PolarHBondContact O-N 3.03Å
21	R	55.9	Low	64.5	Low	192 Å²	192	111.9 Å²	111.9	73%	0.725	61%	0.606	S	S	*	*			trans	-131	58.5	179.7	-70.7	-166.1	-178.4	-172.4	4.3	105.5	P19 F23	P19-R21 HydrophobicContact CB-CB 4.48Å; P19-R21 PolarHBondContact O-N 3.18Å; R21-F23 HydrophobicContact CB-CD2 3.69Å; R21-F23 HydrophobicContact CB-CE2 4.01Å; R21-F23 HydrophobicContact CG-CD2 3.86Å; R21-F23 HydrophobicContact CG-CE2 3.63Å; R21-F23 PolarHBondContact O-N 3.44Å
22	S	51.8	Low	64.1	Low	108 Å²	108	114 Å²	114	76%	0.755	61%	0.613	S	S	*	*			trans	-69.4	58.3	145	69.7	0	0	0	0	107.6	I24	S22-I24 PolarHBondContact O-N 3.14Å
23	F	50.5	Low	63.8	Low	155 Å²	155	108.3 Å²	108.3	68%	0.68	59%	0.591	S	S	*	*			trans	-64.2	104.4	147.7	-70	-69.3	0	0	0	101.5	R21 Y25	R21-F23 HydrophobicContact CB-CD2 3.69Å; R21-F23 HydrophobicContact CB-CE2 4.01Å; R21-F23 HydrophobicContact CG-CD2 3.86Å; R21-F23 HydrophobicContact CG-CE2 3.63Å; R21-F23 PolarHBondContact O-N 3.44Å; F23-Y25 PolarHBondContact O-N 2.9Å
24	I	48	Very low	64.1	Low	133 Å²	133	105.5 Å²	105.5	68%	0.682	57%	0.573	S	S	*	*			trans	-55.6	97	165.8	-49.4	177.4	0	0	0	103	S22 I26	S22-I24 PolarHBondContact O-N 3.14Å; I24-I26 HydrophobicContact CB-CD1 4.46Å; I24-I26 HydrophobicContact CB-CG1 3.97Å; I24-I26 HydrophobicContact CG2-CD1 3.92Å; I24-I26 HydrophobicContact CG2-CG1 3.24Å; I24-I26 PolarHBondContact O-N 3.06Å
25	Y	46.7	Very low	64.7	Low	184 Å²	184	103 Å²	103	72%	0.722	56%	0.56	S	S	*	*			trans	-73.6	69	172.3	-160	-101.3	0	0	0	103.2	F23 D27	F23-Y25 PolarHBondContact O-N 2.9Å; Y25-D27 VanDerWaalsContact CD1-CG 3.49Å; Y25-D27 WeakPolarHBondContact CD1-OD1 3.31Å; Y25-D27 VanDerWaalsContact CD1-OD2 3.32Å; Y25-D27 WeakPolarHBondContact CD1-OD2 3.38Å; Y25-D27 WeakPolarHBondContact CE1-OD1 3.41Å; Y25-D27 VanDerWaalsContact CE1-OD2 3.29Å; Y25-D27 WeakPolarHBondContact CE1-OD2 3.19Å; Y25-D27 PolarHBondContact O-N 2.62Å
26	I	53.7	Low	65.5	Low	84 Å²	84	101.3 Å²	101.3	43%	0.431	55%	0.548	S	S	.	.			trans	-68.4	96.1	167.1	-50.5	174.9	0	0	0	101.1	I24 E28 R48	I24-I26 HydrophobicContact CB-CD1 4.46Å; I24-I26 HydrophobicContact CB-CG1 3.97Å; I24-I26 HydrophobicContact CG2-CD1 3.92Å; I24-I26 HydrophobicContact CG2-CG1 3.24Å; I24-I26 PolarHBondContact O-N 3.06Å; I26-E28 WeakPolarHBondContact CG2-O 3.11Å; I26-E28 PolarHBondContact O-N 2.82Å; I26-R48 PolarHBondContact O-NH1 3.22Å; I26-R48 PolarHBondContact O-NH2 3Å
27	D	54.8	Low	66.2	Low	70 Å²	70	102.5 Å²	102.5	37%	0.374	54%	0.544	S	S	.	.			trans	-58	-31.3	177.3	-89.4	-43.5	0	0	0	110.7	Y25 C29	Y25-D27 VanDerWaalsContact CD1-CG 3.49Å; Y25-D27 WeakPolarHBondContact CD1-OD1 3.31Å; Y25-D27 VanDerWaalsContact CD1-OD2 3.32Å; Y25-D27 WeakPolarHBondContact CD1-OD2 3.38Å; Y25-D27 WeakPolarHBondContact CE1-OD1 3.41Å; Y25-D27 VanDerWaalsContact CE1-OD2 3.29Å; Y25-D27 WeakPolarHBondContact CE1-OD2 3.19Å; Y25-D27 PolarHBondContact O-N 2.62Å; D27-C29 PolarHBondContact O-N 2.7Å
28	E	65.9	Low	67.4	Low	156 Å²	156	105.7 Å²	105.7	73%	0.729	56%	0.555	S	S	*	*	S	Bend	trans	-85.5	110.9	-172.5	-75.1	175.7	143.8	0	0	113.1	I26 P30 R48	I26-E28 WeakPolarHBondContact CG2-O 3.11Å; I26-E28 PolarHBondContact O-N 2.82Å; E28-P30 VanDerWaalsContact O-CD 3.3Å; E28-P30 WeakPolarHBondContact O-CD 3.47Å; E28-R48 PolarHBondContact O-NH2 2.03Å
29	C	75.1	Confident	68.7	Low	22 Å²	22	108.9 Å²	108.9	15%	0.149	56%	0.558	C	S	.	*			trans	-56.4	114.7	166.3	-165.1	0	0	0	0	108.2	D27 S31 Y34 C36 R48 C56	D27-C29 PolarHBondContact O-N 2.7Å; C29-S31 PolarHBondContact O-N 3.28Å; C29-Y34 WeakPolarHBondContact SG-CB 3.26Å; C29-C36 VanDerWaalsContact CB-SG 3.6Å; C29-R48 VanDerWaalsContact CA-NH2 3.31Å; C29-C56 HydrophobicContact CB-CB 3.99Å; C29-C56 WeakPolarHBondContact CB-SG 3.44Å; C29-C56 WeakPolarHBondContact SG-CA 3.49Å; C29-C56 WeakPolarHBondContact SG-CB 3.23Å; C29-C56 CovalentContact SG-SG 2.03Å; C29-C56 PolarHBondContact SG-SG 2.67Å
30	P	71.4	Confident	70.3	Confident	57 Å²	57	105 Å²	105	37%	0.37	53%	0.533	S	S	.	.			trans	-63.8	124.6	-170.6	-17.8	26.3	0	0	0	112.4	E28 E32 Y34	E28-P30 VanDerWaalsContact O-CD 3.3Å; E28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-E32 PolarHBondContact O-N 2.99Å; P30-Y34 HydrophobicContact CB-CD2 3.71Å; P30-Y34 HydrophobicContact CB-CE2 3.9Å; P30-Y34 HydrophobicContact CB-CG 4.26Å; P30-Y34 HydrophobicContact CG-CD1 4.32Å; P30-Y34 HydrophobicContact CG-CD2 3.99Å; P30-Y34 HydrophobicContact CG-CE1 4.22Å; P30-Y34 HydrophobicContact CG-CE2 3.96Å; P30-Y34 HydrophobicContact CG-CG 4.22Å; P30-Y34 WeakPolarHBondContact O-CA 3.44Å; P30-Y34 WeakPolarHBondContact O-CB 3.47Å; P30-Y34 WeakPolarHBondContact O-CD2 3Å; P30-Y34 VanDerWaalsContact O-CG 3.28Å; P30-Y34 PolarHBondContact O-N 3.38Å
31	S	69.5	Low	71.9	Confident	112 Å²	112	103.4 Å²	103.4	78%	0.783	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-18.4	-164.1	74.9	0	0	0	0	116.9	C29 Y33	C29-S31 PolarHBondContact O-N 3.28Å; S31-Y33 PolarHBondContact O-N 3.4Å
32	E	74.9	Confident	73.6	Confident	142 Å²	142	98.7 Å²	98.7	66%	0.664	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-31.7	-168.9	-162.5	177	179.9	0	0	113.6	P30	P30-E32 PolarHBondContact O-N 2.99Å
33	Y	75.9	Confident	75.4	Confident	44 Å²	44	96.3 Å²	96.3	17%	0.173	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	9.7	-179.3	-59.9	-65.9	0	0	0	113.2	S31 K58 L59 I64 R68	S31-Y33 PolarHBondContact O-N 3.4Å; Y33-K58 WeakPolarHBondContact O-CA 3.39Å; Y33-L59 PolarHBondContact O-N 3.07Å; Y33-I64 HydrophobicContact CD1-CB 4.48Å; Y33-I64 HydrophobicContact CD1-CD1 3.68Å; Y33-I64 HydrophobicContact CD1-CG1 3.67Å; Y33-I64 HydrophobicContact CD1-CG2 4.14Å; Y33-I64 HydrophobicContact CD2-CD1 4.25Å; Y33-I64 HydrophobicContact CE1-CB 4.31Å; Y33-I64 HydrophobicContact CE1-CD1 4.18Å; Y33-I64 HydrophobicContact CE1-CG1 3.98Å; Y33-I64 HydrophobicContact CE1-CG2 3.54Å; Y33-I64 HydrophobicContact CG-CD1 3.71Å; Y33-I64 HydrophobicContact CG-CG1 4.24Å; Y33-R68 PolarHBondContact OH-NH2 3.22Å
34	Y	86.2	Confident	77.3	Confident	55 Å²	55	89.4 Å²	89.4	22%	0.216	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.9	-177.3	-45.8	-126.5	0	0	0	109.2	C29 P30 I47 C57 K58	C29-Y34 WeakPolarHBondContact SG-CB 3.26Å; P30-Y34 HydrophobicContact CB-CD2 3.71Å; P30-Y34 HydrophobicContact CB-CE2 3.9Å; P30-Y34 HydrophobicContact CB-CG 4.26Å; P30-Y34 HydrophobicContact CG-CD1 4.32Å; P30-Y34 HydrophobicContact CG-CD2 3.99Å; P30-Y34 HydrophobicContact CG-CE1 4.22Å; P30-Y34 HydrophobicContact CG-CE2 3.96Å; P30-Y34 HydrophobicContact CG-CG 4.22Å; P30-Y34 WeakPolarHBondContact O-CA 3.44Å; P30-Y34 WeakPolarHBondContact O-CB 3.47Å; P30-Y34 WeakPolarHBondContact O-CD2 3Å; P30-Y34 VanDerWaalsContact O-CG 3.28Å; P30-Y34 PolarHBondContact O-N 3.38Å; Y34-I47 HydrophobicContact CD1-CD1 3.81Å; Y34-I47 HydrophobicContact CE1-CD1 3.42Å; Y34-I47 VanDerWaalsContact CE1-CD1 3.42Å; Y34-C57 CarbonylContact C-O 3.52Å; Y34-C57 WeakPolarHBondContact CA-O 3.38Å; Y34-K58 HydrophobicContact CD1-CB 3.79Å; Y34-K58 HydrophobicContact CD1-CD 4.36Å; Y34-K58 HydrophobicContact CD1-CG 4.15Å; Y34-K58 HydrophobicContact CE1-CB 3.93Å; Y34-K58 HydrophobicContact CE1-CD 3.66Å; Y34-K58 HydrophobicContact CE1-CG 3.94Å; Y34-K58 HydrophobicContact CE2-CD 4.34Å; Y34-K58 HydrophobicContact CE2-CG 4.37Å; Y34-K58 HydrophobicContact CG-CB 4.3Å; Y34-K58 HydrophobicContact CG-CG 4.49Å; Y34-K58 PolarHBondContact OH-NZ 3.27Å
35	N	87.1	Confident	79.3	Confident	67 Å²	67	86.8 Å²	86.8	36%	0.358	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.6	178.2	-70.1	-73.5	0	0	0	109.3	R37 C57	N35-R37 HydrophobicContact CB-CG 4.26Å; N35-C57 PolarHBondContact N-O 2.81Å; N35-C57 WeakPolarHBondContact O-CB 3.29Å; N35-C57 PolarHBondContact O-N 2.8Å
36	C	88.3	Confident	81.3	Confident	60 Å²	60	81 Å²	81	41%	0.405	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.6	168.6	-68.5	0	0	0	0	108.8	C29 C50 T54 I55	C29-C36 VanDerWaalsContact CB-SG 3.6Å; C36-C50 HydrophobicContact CB-CB 3.97Å; C36-C50 WeakPolarHBondContact CB-SG 3.37Å; C36-C50 WeakPolarHBondContact SG-CB 3.3Å; C36-C50 CovalentContact SG-SG 2.04Å; C36-C50 PolarHBondContact SG-SG 2.59Å; C36-T54 VanDerWaalsContact CB-OG1 3.31Å; C36-T54 WeakPolarHBondContact CB-OG1 3.12Å; C36-I55 CarbonylContact C-O 3.46Å; C36-I55 WeakPolarHBondContact CA-O 3.32Å
37	R	88.5	Confident	82.9	Confident	98 Å²	98	81 Å²	81	37%	0.37	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.1	-178.8	-61	-175.3	-178.3	-74	-2	110.7	N35 K39 N41 E44 I55	N35-R37 HydrophobicContact CB-CG 4.26Å; R37-K39 WeakPolarHBondContact CB-O 3.27Å; R37-K39 PolarHBondContact O-N 2.03Å; R37-K39 VanDerWaalsContact O-N 3.17Å; R37-N41 PolarHBondContact NE-ND2 2.77Å; R37-E44 WeakPolarHBondContact CD-OE2 3.22Å; R37-E44 IonicContact CZ-OE1 3.93Å; R37-E44 IonicContact NE-OE1 3.18Å; R37-E44 PolarHBondContact NE-OE1 3.04Å; R37-E44 IonicContact NE-OE2 3.44Å; R37-E44 PolarHBondContact NE-OE2 2.75Å; R37-E44 IonicContact NH2-OE1 3.78Å; R37-I55 PolarHBondContact N-O 3.17Å; R37-I55 WeakPolarHBondContact O-CA 3.44Å; R37-I55 WeakPolarHBondContact O-CB 3.22Å; R37-I55 PolarHBondContact O-N 2.69Å
38	M	90.9	Very high	84.3	Confident	159 Å²	159	81 Å²	81	78%	0.783	43%	0.43	S	S	*	.	S	Bend	trans	-61.1	-26.4	173.3	-145.4	73.9	84.8	0	0	112.6	T54	M38-T54 HydrophobicContact SD-CG2 4.01Å
39	K	91.8	Very high	85.2	Confident	172 Å²	172	81.6 Å²	81.6	75%	0.748	43%	0.427	S	S	*	.	S	Bend	trans	-151.4	135.6	175.8	-176.1	179.1	178.3	-178.2	0	109.2	R37	R37-K39 WeakPolarHBondContact CB-O 3.27Å; R37-K39 PolarHBondContact O-N 2.03Å; R37-K39 VanDerWaalsContact O-N 3.17Å
40	C	91.6	Very high	85.7	Confident	27 Å²	27	81.1 Å²	81.1	18%	0.182	42%	0.424	C	S	.	.			trans	-72.7	149.6	176.4	-55.9	0	0	0	0	112.3	E44 C57	C40-E44 HydrophobicContact CB-CB 4.05Å; C40-C57 WeakPolarHBondContact CA-SG 3.22Å; C40-C57 HydrophobicContact CB-CB 3.75Å; C40-C57 WeakPolarHBondContact CB-SG 3.35Å; C40-C57 VanDerWaalsContact SG-CA 3.58Å; C40-C57 WeakPolarHBondContact SG-CB 3.21Å; C40-C57 CovalentContact SG-SG 2.03Å; C40-C57 PolarHBondContact SG-SG 3.44Å
41	N	91.3	Very high	86.3	Confident	75 Å²	75	84 Å²	84	40%	0.401	44%	0.436	S	S	.	.			trans	-75.4	169	173.1	-62.1	-42.8	0	0	0	111.7	R37 D43 E44	R37-N41 PolarHBondContact NE-ND2 2.77Å; N41-D43 VanDerWaalsContact C-N 3.25Å; N41-D43 WeakPolarHBondContact CB-OD1 3.45Å; N41-D43 PolarHBondContact O-N 2.88Å; N41-E44 HydrophobicContact CB-CB 4.49Å; N41-E44 HydrophobicContact CB-CG 4.23Å; N41-E44 PolarHBondContact N-OE2 3.33Å; N41-E44 PolarHBondContact O-N 3.23Å; N41-E44 VanDerWaalsContact O-N 3.08Å
42	A	91.1	Very high	87	Confident	93 Å²	93	83.3 Å²	83.3	77%	0.769	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-26	-176.9	0	0	0	0	0	113.5	E44 K60	A42-E44 VanDerWaalsContact C-N 3.34Å; A42-K60 PolarHBondContact O-NZ 3.14Å
43	D	89.4	Confident	87.4	Confident	57 Å²	57	87.1 Å²	87.1	31%	0.305	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.4	174.6	57.9	-53.6	0	0	0	113	N41 K60 E63	N41-D43 VanDerWaalsContact C-N 3.25Å; N41-D43 WeakPolarHBondContact CB-OD1 3.45Å; N41-D43 PolarHBondContact O-N 2.88Å; D43-K60 WeakPolarHBondContact O-CB 3.35Å; D43-K60 WeakPolarHBondContact O-CD 3.37Å; D43-K60 VanDerWaalsContact O-CG 3.23Å; D43-K60 WeakPolarHBondContact O-CG 3.05Å; D43-K60 PolarHBondContact O-N 2.97Å; D43-E63 HydrophobicContact CB-CG 4.37Å
44	E	91.4	Very high	88	Confident	10 Å²	10	85.6 Å²	85.6	5%	0.047	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	167.2	178.3	-64.9	170.4	170	0	0	111.4	R37 C40 N41 A42 C57 K58 L59	R37-E44 WeakPolarHBondContact CD-OE2 3.22Å; R37-E44 IonicContact CZ-OE1 3.93Å; R37-E44 IonicContact NE-OE1 3.18Å; R37-E44 PolarHBondContact NE-OE1 3.04Å; R37-E44 IonicContact NE-OE2 3.44Å; R37-E44 PolarHBondContact NE-OE2 2.75Å; R37-E44 IonicContact NH2-OE1 3.78Å; C40-E44 HydrophobicContact CB-CB 4.05Å; N41-E44 HydrophobicContact CB-CB 4.49Å; N41-E44 HydrophobicContact CB-CG 4.23Å; N41-E44 PolarHBondContact N-OE2 3.33Å; N41-E44 PolarHBondContact O-N 3.23Å; N41-E44 VanDerWaalsContact O-N 3.08Å; A42-E44 VanDerWaalsContact C-N 3.34Å; E44-C57 HydrophobicContact CB-CB 4.06Å; E44-C57 HydrophobicContact CG-CB 4.39Å; E44-C57 VanDerWaalsContact OE2-CB 3.26Å; E44-C57 WeakPolarHBondContact OE2-CB 3.5Å; E44-K58 CarbonylContact C-O 3.51Å; E44-K58 VanDerWaalsContact CA-O 3.22Å; E44-K58 WeakPolarHBondContact CA-O 3.4Å; E44-L59 HydrophobicContact CG-CD1 3.97Å; E44-L59 HydrophobicContact CG-CG 4.44Å
45	H	89.6	Confident	88.1	Confident	78 Å²	78	85 Å²	85	36%	0.361	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.2	168.1	63.4	-74.9	0	0	0	111.2	C57 K58	H45-C57 WeakPolarHBondContact O-CA 2.7Å; H45-K58 PolarHBondContact N-O 2.94Å; H45-K58 PolarHBondContact ND1-O 3.39Å; H45-K58 PolarHBondContact O-N 3.03Å
46	A	89.7	Confident	88.3	Confident	64 Å²	64	81.8 Å²	81.8	53%	0.529	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.5	179.2	0	0	0	0	0	111.1	I55	A46-I55 HydrophobicContact CB-CG2 3.56Å
47	I	87.2	Confident	88.4	Confident	84 Å²	84	79 Å²	79	43%	0.431	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-44.8	178.2	-56.7	176.9	0	0	0	111.2	Y34 C56 K58	Y34-I47 HydrophobicContact CD1-CD1 3.81Å; Y34-I47 HydrophobicContact CE1-CD1 3.42Å; Y34-I47 VanDerWaalsContact CE1-CD1 3.42Å; I47-C56 PolarHBondContact N-O 2.88Å; I47-K58 HydrophobicContact CD1-CB 3.3Å; I47-K58 HydrophobicContact CD1-CD 3.59Å; I47-K58 HydrophobicContact CD1-CG 4.04Å; I47-K58 HydrophobicContact CG1-CB 4.11Å
48	R	84.6	Confident	88.5	Confident	68 Å²	68	76.7 Å²	76.7	26%	0.257	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	-179.1	-175.8	63.6	176.1	-177	-158.7	7	111	I26 E28 C29 C56	I26-R48 PolarHBondContact O-NH1 3.22Å; I26-R48 PolarHBondContact O-NH2 3Å; E28-R48 PolarHBondContact O-NH2 2.03Å; C29-R48 VanDerWaalsContact CA-NH2 3.31Å; R48-C56 HydrophobicContact CG-CB 3.63Å; R48-C56 WeakPolarHBondContact O-CB 3.41Å; R48-C56 PolarHBondContact O-N 3.01Å
49	Y	84.8	Confident	88.4	Confident	170 Å²	170	70 Å²	70	67%	0.667	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	151.6	169	-62.6	-78.4	0	0	0	111.4	T54 I55	Y49-T54 CarbonylContact C-O 3.59Å; Y49-T54 VanDerWaalsContact CA-O 3.27Å; Y49-T54 WeakPolarHBondContact CA-O 3.03Å; Y49-I55 HydrophobicContact CD1-CG1 4.27Å; Y49-I55 HydrophobicContact CE1-CG1 4.04Å
50	C	84.9	Confident	88.3	Confident	12 Å²	12	66.4 Å²	66.4	8%	0.081	34%	0.335	C	S	.	.			trans	-91.9	170.8	168.5	-58.2	0	0	0	0	110.1	C36 D52 W53 T54	C36-C50 HydrophobicContact CB-CB 3.97Å; C36-C50 WeakPolarHBondContact CB-SG 3.37Å; C36-C50 WeakPolarHBondContact SG-CB 3.3Å; C36-C50 CovalentContact SG-SG 2.04Å; C36-C50 PolarHBondContact SG-SG 2.59Å; C50-D52 VanDerWaalsContact CB-OD1 3.22Å; C50-D52 WeakPolarHBondContact CB-OD1 3.02Å; C50-D52 PolarHBondContact O-N 3.17Å; C50-W53 PolarHBondContact O-N 3.34Å; C50-T54 PolarHBondContact N-O 2.79Å
51	D	83.6	Confident	87.9	Confident	116 Å²	116	70.5 Å²	70.5	62%	0.62	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.2	-179.2	-63.3	-28.2	0	0	0	113.8	W53	D51-W53 PolarHBondContact O-N 2.74Å
52	D	84.8	Confident	87.6	Confident	98 Å²	98	73.5 Å²	73.5	52%	0.524	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	15	176.6	68.1	-12.4	0	0	0	113	C50 T54	C50-D52 VanDerWaalsContact CB-OD1 3.22Å; C50-D52 WeakPolarHBondContact CB-OD1 3.02Å; C50-D52 PolarHBondContact O-N 3.17Å; D52-T54 VanDerWaalsContact CG-OG1 3.3Å; D52-T54 PolarHBondContact O-N 2.92Å; D52-T54 VanDerWaalsContact O-N 3.07Å; D52-T54 WeakPolarHBondContact OD1-CB 3.23Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.39Å; D52-T54 PolarHBondContact OD1-N 2.95Å; D52-T54 PolarHBondContact OD1-OG1 2.86Å; D52-T54 VanDerWaalsContact OD2-CG2 3.3Å; D52-T54 WeakPolarHBondContact OD2-CG2 3.42Å; D52-T54 PolarHBondContact OD2-OG1 3.08Å
53	W	82.8	Confident	87.3	Confident	222 Å²	222	71.2 Å²	71.2	84%	0.841	34%	0.344	S	S	*	.	S	Bend	trans	63.3	7.4	-178.7	-63.9	62.8	0	0	0	114.7	C50 D51	C50-W53 PolarHBondContact O-N 3.34Å; D51-W53 PolarHBondContact O-N 2.74Å
54	T	88.1	Confident	86.9	Confident	13 Å²	13	69.1 Å²	69.1	8%	0.08	33%	0.332	C	S	.	.			trans	-77.4	169.4	169.7	71.1	0	0	0	0	110.4	C36 M38 Y49 C50 D52	C36-T54 VanDerWaalsContact CB-OG1 3.31Å; C36-T54 WeakPolarHBondContact CB-OG1 3.12Å; M38-T54 HydrophobicContact SD-CG2 4.01Å; Y49-T54 CarbonylContact C-O 3.59Å; Y49-T54 VanDerWaalsContact CA-O 3.27Å; Y49-T54 WeakPolarHBondContact CA-O 3.03Å; C50-T54 PolarHBondContact N-O 2.79Å; D52-T54 VanDerWaalsContact CG-OG1 3.3Å; D52-T54 PolarHBondContact O-N 2.92Å; D52-T54 VanDerWaalsContact O-N 3.07Å; D52-T54 WeakPolarHBondContact OD1-CB 3.23Å; D52-T54 WeakPolarHBondContact OD1-CG2 3.39Å; D52-T54 PolarHBondContact OD1-N 2.95Å; D52-T54 PolarHBondContact OD1-OG1 2.86Å; D52-T54 VanDerWaalsContact OD2-CG2 3.3Å; D52-T54 WeakPolarHBondContact OD2-CG2 3.42Å; D52-T54 PolarHBondContact OD2-OG1 3.08Å
55	I	89.6	Confident	86.6	Confident	41 Å²	41	72.7 Å²	72.7	21%	0.21	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127	-178.4	-55	174.2	0	0	0	109.1	C36 R37 A46 Y49 C57	C36-I55 CarbonylContact C-O 3.46Å; C36-I55 WeakPolarHBondContact CA-O 3.32Å; R37-I55 PolarHBondContact N-O 3.17Å; R37-I55 WeakPolarHBondContact O-CA 3.44Å; R37-I55 WeakPolarHBondContact O-CB 3.22Å; R37-I55 PolarHBondContact O-N 2.69Å; A46-I55 HydrophobicContact CB-CG2 3.56Å; Y49-I55 HydrophobicContact CD1-CG1 4.27Å; Y49-I55 HydrophobicContact CE1-CG1 4.04Å; I55-C57 PolarHBondContact O-N 2.99Å; I55-C57 PolarHBondContact O-SG 3.33Å; I55-C57 VanDerWaalsContact O-SG 3.33Å
56	C	90.1	Very high	86.4	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.007	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	106	168	-176.5	0	0	0	0	109.2	C29 I47 R48	C29-C56 HydrophobicContact CB-CB 3.99Å; C29-C56 WeakPolarHBondContact CB-SG 3.44Å; C29-C56 WeakPolarHBondContact SG-CA 3.49Å; C29-C56 WeakPolarHBondContact SG-CB 3.23Å; C29-C56 CovalentContact SG-SG 2.03Å; C29-C56 PolarHBondContact SG-SG 2.67Å; I47-C56 PolarHBondContact N-O 2.88Å; R48-C56 HydrophobicContact CG-CB 3.63Å; R48-C56 WeakPolarHBondContact O-CB 3.41Å; R48-C56 PolarHBondContact O-N 3.01Å
57	C	91.4	Very high	86	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.8	-176	-59.6	0	0	0	0	110.4	Y34 N35 C40 E44 H45 I55	Y34-C57 CarbonylContact C-O 3.52Å; Y34-C57 WeakPolarHBondContact CA-O 3.38Å; N35-C57 PolarHBondContact N-O 2.81Å; N35-C57 WeakPolarHBondContact O-CB 3.29Å; N35-C57 PolarHBondContact O-N 2.8Å; C40-C57 WeakPolarHBondContact CA-SG 3.22Å; C40-C57 HydrophobicContact CB-CB 3.75Å; C40-C57 WeakPolarHBondContact CB-SG 3.35Å; C40-C57 VanDerWaalsContact SG-CA 3.58Å; C40-C57 WeakPolarHBondContact SG-CB 3.21Å; C40-C57 CovalentContact SG-SG 2.03Å; C40-C57 PolarHBondContact SG-SG 3.44Å; E44-C57 HydrophobicContact CB-CB 4.06Å; E44-C57 HydrophobicContact CG-CB 4.39Å; E44-C57 VanDerWaalsContact OE2-CB 3.26Å; E44-C57 WeakPolarHBondContact OE2-CB 3.5Å; H45-C57 WeakPolarHBondContact O-CA 2.7Å; I55-C57 PolarHBondContact O-N 2.99Å; I55-C57 PolarHBondContact O-SG 3.33Å; I55-C57 VanDerWaalsContact O-SG 3.33Å
58	K	89.8	Confident	85.8	Confident	51 Å²	51	75.1 Å²	75.1	22%	0.222	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.7	177.7	176.5	-178.5	178.1	174.5	0	111.4	Y33 Y34 E44 H45 I47	Y33-K58 WeakPolarHBondContact O-CA 3.39Å; Y34-K58 HydrophobicContact CD1-CB 3.79Å; Y34-K58 HydrophobicContact CD1-CD 4.36Å; Y34-K58 HydrophobicContact CD1-CG 4.15Å; Y34-K58 HydrophobicContact CE1-CB 3.93Å; Y34-K58 HydrophobicContact CE1-CD 3.66Å; Y34-K58 HydrophobicContact CE1-CG 3.94Å; Y34-K58 HydrophobicContact CE2-CD 4.34Å; Y34-K58 HydrophobicContact CE2-CG 4.37Å; Y34-K58 HydrophobicContact CG-CB 4.3Å; Y34-K58 HydrophobicContact CG-CG 4.49Å; Y34-K58 PolarHBondContact OH-NZ 3.27Å; E44-K58 CarbonylContact C-O 3.51Å; E44-K58 VanDerWaalsContact CA-O 3.22Å; E44-K58 WeakPolarHBondContact CA-O 3.4Å; H45-K58 PolarHBondContact N-O 2.94Å; H45-K58 PolarHBondContact ND1-O 3.39Å; H45-K58 PolarHBondContact O-N 3.03Å; I47-K58 HydrophobicContact CD1-CB 3.3Å; I47-K58 HydrophobicContact CD1-CD 3.59Å; I47-K58 HydrophobicContact CD1-CG 4.04Å; I47-K58 HydrophobicContact CG1-CB 4.11Å
59	L	89.9	Confident	85.8	Confident	17 Å²	17	79.6 Å²	79.6	9%	0.089	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	139.5	171.8	-106.3	84.3	0	0	0	111.3	Y33 E44 E63 I64 L67	Y33-L59 PolarHBondContact O-N 3.07Å; E44-L59 HydrophobicContact CG-CD1 3.97Å; E44-L59 HydrophobicContact CG-CG 4.44Å; L59-E63 HydrophobicContact CD2-CB 3.93Å; L59-E63 HydrophobicContact CD2-CG 3.77Å; L59-E63 HydrophobicContact CG-CB 4.47Å; L59-I64 HydrophobicContact CB-CD1 4.33Å; L59-I64 HydrophobicContact CB-CG1 3.93Å; L59-I64 HydrophobicContact CD2-CG1 4.43Å; L59-L67 HydrophobicContact CD2-CD1 3.53Å
60	K	88.3	Confident	85.7	Confident	97 Å²	97	76.5 Å²	76.5	42%	0.422	35%	0.352	S	S	.	.			trans	-64	142.3	171.1	-71.8	167.5	-177	171.8	0	109.9	A42 D43 I62 E63 I64	A42-K60 PolarHBondContact O-NZ 3.14Å; D43-K60 WeakPolarHBondContact O-CB 3.35Å; D43-K60 WeakPolarHBondContact O-CD 3.37Å; D43-K60 VanDerWaalsContact O-CG 3.23Å; D43-K60 WeakPolarHBondContact O-CG 3.05Å; D43-K60 PolarHBondContact O-N 2.97Å; K60-I62 PolarHBondContact O-N 3.42Å; K60-E63 PolarHBondContact O-N 3.03Å; K60-I64 PolarHBondContact O-N 3.41Å; K60-I64 VanDerWaalsContact O-N 3.14Å
61	N	84	Confident	85.3	Confident	113 Å²	113	84.9 Å²	84.9	60%	0.604	38%	0.382	S	S	*	.	H	α-helix	trans	-53.8	-33.1	179.6	-78	21.1	0	0	0	113.2	E63 I64 E65	N61-E63 VanDerWaalsContact C-N 3.3Å; N61-E63 PolarHBondContact O-N 3.42Å; N61-I64 PolarHBondContact O-N 2.97Å; N61-E65 WeakPolarHBondContact O-CG 3.49Å; N61-E65 PolarHBondContact O-N 2.93Å
62	I	84.4	Confident	84.8	Confident	138 Å²	138	88.2 Å²	88.2	71%	0.708	39%	0.39	S	S	*	.	H	α-helix	trans	-60.6	-41.2	176.8	-60.6	172.7	0	0	0	111	K60 K66	K60-I62 PolarHBondContact O-N 3.42Å; I62-K66 PolarHBondContact O-N 2.96Å; I62-K66 VanDerWaalsContact O-N 3.16Å
63	E	84.4	Confident	83.4	Confident	46 Å²	46	93.1 Å²	93.1	22%	0.215	42%	0.416	C	S	.	.	H	α-helix	trans	-74.9	-34.7	179.6	-160.1	63.1	-153.6	0	0	111.3	D43 L59 K60 N61 E65 K66 L67	D43-E63 HydrophobicContact CB-CG 4.37Å; L59-E63 HydrophobicContact CD2-CB 3.93Å; L59-E63 HydrophobicContact CD2-CG 3.77Å; L59-E63 HydrophobicContact CG-CB 4.47Å; K60-E63 PolarHBondContact O-N 3.03Å; N61-E63 VanDerWaalsContact C-N 3.3Å; N61-E63 PolarHBondContact O-N 3.42Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E65 PolarHBondContact O-N 3.47Å; E63-K66 WeakPolarHBondContact O-CB 3.47Å; E63-K66 PolarHBondContact O-N 3.31Å; E63-K66 IonicContact OE1-NZ 2.84Å; E63-K66 PolarHBondContact OE1-NZ 3.35Å; E63-K66 IonicContact OE2-NZ 3.93Å; E63-L67 WeakPolarHBondContact O-CG 3.37Å; E63-L67 PolarHBondContact O-N 3.49Å
64	I	81.9	Confident	83.4	Confident	12 Å²	12	86.7 Å²	86.7	6%	0.062	40%	0.395	C	S	.	.	H	α-helix	trans	-59.9	-45.2	172.7	-62.6	175.9	0	0	0	111	Y33 L59 K60 N61 K66 L67 R68	Y33-I64 HydrophobicContact CD1-CB 4.48Å; Y33-I64 HydrophobicContact CD1-CD1 3.68Å; Y33-I64 HydrophobicContact CD1-CG1 3.67Å; Y33-I64 HydrophobicContact CD1-CG2 4.14Å; Y33-I64 HydrophobicContact CD2-CD1 4.25Å; Y33-I64 HydrophobicContact CE1-CB 4.31Å; Y33-I64 HydrophobicContact CE1-CD1 4.18Å; Y33-I64 HydrophobicContact CE1-CG1 3.98Å; Y33-I64 HydrophobicContact CE1-CG2 3.54Å; Y33-I64 HydrophobicContact CG-CD1 3.71Å; Y33-I64 HydrophobicContact CG-CG1 4.24Å; L59-I64 HydrophobicContact CB-CD1 4.33Å; L59-I64 HydrophobicContact CB-CG1 3.93Å; L59-I64 HydrophobicContact CD2-CG1 4.43Å; K60-I64 PolarHBondContact O-N 3.41Å; K60-I64 VanDerWaalsContact O-N 3.14Å; N61-I64 PolarHBondContact O-N 2.97Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.4Å; I64-L67 PolarHBondContact O-N 2.95Å; I64-R68 WeakPolarHBondContact O-CG 3.41Å; I64-R68 PolarHBondContact O-N 3.44Å
65	E	84.8	Confident	83.2	Confident	85 Å²	85	90.5 Å²	90.5	40%	0.397	41%	0.412	S	S	.	.	H	α-helix	trans	-67.6	-27.2	177.8	-73.5	-58.2	132.3	0	0	113	N61 E63 R68 R69	N61-E65 WeakPolarHBondContact O-CG 3.49Å; N61-E65 PolarHBondContact O-N 2.93Å; E63-E65 VanDerWaalsContact C-N 3.34Å; E63-E65 PolarHBondContact O-N 3.47Å; E65-R68 IonicContact OE1-CZ 3.87Å; E65-R68 IonicContact OE1-NH1 2.79Å; E65-R68 PolarHBondContact OE1-NH1 3.37Å; E65-R69 WeakPolarHBondContact O-CG 3.3Å; E65-R69 PolarHBondContact O-N 3.38Å; E65-R69 PolarHBondContact O-NE 3.48Å
66	K	84.8	Confident	82.8	Confident	90 Å²	90	93.3 Å²	93.3	39%	0.391	42%	0.423	S	S	.	.	H	α-helix	trans	-72.6	-48.5	173	-177.4	176.7	154.6	-137.2	0	111.1	I62 E63 I64 R68 R69 E70	I62-K66 PolarHBondContact O-N 2.96Å; I62-K66 VanDerWaalsContact O-N 3.16Å; E63-K66 WeakPolarHBondContact O-CB 3.47Å; E63-K66 PolarHBondContact O-N 3.31Å; E63-K66 IonicContact OE1-NZ 2.84Å; E63-K66 PolarHBondContact OE1-NZ 3.35Å; E63-K66 IonicContact OE2-NZ 3.93Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.4Å; K66-R68 VanDerWaalsContact C-N 3.26Å; K66-R68 PolarHBondContact O-N 3.17Å; K66-R69 WeakPolarHBondContact O-CB 3.33Å; K66-R69 PolarHBondContact O-N 3.27Å; K66-E70 VanDerWaalsContact CE-OE1 3.26Å; K66-E70 WeakPolarHBondContact CE-OE1 3.03Å; K66-E70 PolarHBondContact O-N 3.08Å
67	L	82.9	Confident	82.4	Confident	68 Å²	68	98.7 Å²	98.7	36%	0.356	45%	0.448	S	S	.	.	H	α-helix	trans	-58.9	-36.1	174.7	-70.6	171.7	0	0	0	112.7	L59 E63 I64 R69 R71	L59-L67 HydrophobicContact CD2-CD1 3.53Å; E63-L67 WeakPolarHBondContact O-CG 3.37Å; E63-L67 PolarHBondContact O-N 3.49Å; I64-L67 PolarHBondContact O-N 2.95Å; L67-R69 VanDerWaalsContact C-N 3.35Å; L67-R71 WeakPolarHBondContact O-CB 3.31Å; L67-R71 PolarHBondContact O-N 2.9Å; L67-R71 VanDerWaalsContact O-N 3.14Å
68	R	83.2	Confident	81.8	Confident	119 Å²	119	104.9 Å²	104.9	45%	0.449	48%	0.475	S	S	.	.	H	α-helix	trans	-65.9	-35.1	174.5	-79.7	178.9	178.9	160.3	-0.8	113.1	Y33 I64 E65 K66	Y33-R68 PolarHBondContact OH-NH2 3.22Å; I64-R68 WeakPolarHBondContact O-CG 3.41Å; I64-R68 PolarHBondContact O-N 3.44Å; E65-R68 IonicContact OE1-CZ 3.87Å; E65-R68 IonicContact OE1-NH1 2.79Å; E65-R68 PolarHBondContact OE1-NH1 3.37Å; K66-R68 VanDerWaalsContact C-N 3.26Å; K66-R68 PolarHBondContact O-N 3.17Å
69	R	84.4	Confident	81.3	Confident	163 Å²	163	108.5 Å²	108.5	62%	0.615	49%	0.492	S	S	*	.	H	α-helix	trans	-70.2	-48.6	176	-79.7	-179.7	-100.2	170.8	-10.4	110.9	E65 K66 L67 R71 K72	E65-R69 WeakPolarHBondContact O-CG 3.3Å; E65-R69 PolarHBondContact O-N 3.38Å; E65-R69 PolarHBondContact O-NE 3.48Å; K66-R69 WeakPolarHBondContact O-CB 3.33Å; K66-R69 PolarHBondContact O-N 3.27Å; L67-R69 VanDerWaalsContact C-N 3.35Å; R69-R71 VanDerWaalsContact C-N 3.26Å; R69-R71 PolarHBondContact O-N 3.4Å; R69-K72 WeakPolarHBondContact O-CB 3.32Å; R69-K72 PolarHBondContact O-N 3.32Å
70	E	81.5	Confident	80.7	Confident	105 Å²	105	115 Å²	115	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-30.5	179.7	-68.6	171.8	178.1	0	0	113.4	K66 K72	K66-E70 VanDerWaalsContact CE-OE1 3.26Å; K66-E70 WeakPolarHBondContact CE-OE1 3.03Å; K66-E70 PolarHBondContact O-N 3.08Å; E70-K72 VanDerWaalsContact C-N 3.25Å; E70-K72 PolarHBondContact O-N 3.35Å
71	R	76.9	Confident	80.1	Confident	188 Å²	188	116.4 Å²	116.4	71%	0.709	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.9	176.1	-158.1	-167	-63.5	174.9	-3.4	113.6	L67 R69	L67-R71 WeakPolarHBondContact O-CB 3.31Å; L67-R71 PolarHBondContact O-N 2.9Å; L67-R71 VanDerWaalsContact O-N 3.14Å; R69-R71 VanDerWaalsContact C-N 3.26Å; R69-R71 PolarHBondContact O-N 3.4Å
72	K	72.4	Confident	79.8	Confident	186 Å²	186	116.7 Å²	116.7	81%	0.809	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-14.4	-175.8	-156.8	174.7	-177.6	179.8	0	112.6	R69 E70	R69-K72 WeakPolarHBondContact O-CB 3.32Å; R69-K72 PolarHBondContact O-N 3.32Å; E70-K72 VanDerWaalsContact C-N 3.25Å; E70-K72 PolarHBondContact O-N 3.35Å
73	D	56	Low	79.4	Confident	200 Å²	200	114.7 Å²	114.7	100%	1.07	51%	0.506	S	S	*	.			trans	-85.9	0	171.4	-61	-40.1	0	0	0	110.8

Retrieved 73 of 73 residues in 590.1 ms (Link to these results)

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