D131B_HUMAN Loading...

Beta-defensin 131B

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A096LNP1, Species HUMAN (Homo sapiens, Human), Gene DEFB131B, Length 70 aa.

						>D131B_HUMAN|A0A096LNP1|DEFB131B
MRVLFFVFGVLSLMSTVPPTRSFTSNDECPSEYYHCRLKCNADEHAIRYCADFSICCKLKIIQIDGQKKW
					

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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	63.7	Low	77.7	Confident	201 Å²	201	127.5 Å²	127.5	99%	0.99	64%	0.636	S	S	*	*				0	-27.6	0	-57	-165.6	-153.9	0	0	114.5	V3 L4	M1-V3 PolarHBondContact O-N 3.32Å; M1-L4 PolarHBondContact O-N 2.81Å
2	R	75.8	Confident	77.9	Confident	213 Å²	213	122.6 Å²	122.6	80%	0.804	62%	0.623	S	S	*	*	H	α-helix	trans	-63.5	-34.1	-178.1	-66.1	179.6	177.2	165.2	-0.9	114.7	L4 F5 F6	R2-L4 VanDerWaalsContact C-N 3.31Å; R2-L4 PolarHBondContact O-N 2.66Å; R2-F5 PolarHBondContact O-N 2.84Å; R2-F6 VanDerWaalsContact O-CD2 3.26Å; R2-F6 WeakPolarHBondContact O-CD2 3.31Å
3	V	76.3	Confident	77.6	Confident	112 Å²	112	122.8 Å²	122.8	68%	0.679	63%	0.626	S	S	*	*	H	α-helix	trans	-61.4	-38.4	-177.5	-177.8	0	0	0	0	112.2	M1 F5 F6 V7	M1-V3 PolarHBondContact O-N 3.32Å; V3-F5 VanDerWaalsContact C-N 3.34Å; V3-F5 PolarHBondContact O-N 2.67Å; V3-F6 PolarHBondContact O-N 2.94Å; V3-V7 HydrophobicContact CG1-CG2 4.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.46Å; V3-V7 PolarHBondContact O-N 3.02Å; V3-V7 VanDerWaalsContact O-N 3.16Å
4	L	78.9	Confident	77	Confident	109 Å²	109	123.6 Å²	123.6	57%	0.571	63%	0.628	S	S	*	*	H	α-helix	trans	-61.7	-42.4	-179.2	-67	172	0	0	0	111.5	M1 R2 F6 V7 F8	M1-L4 PolarHBondContact O-N 2.81Å; R2-L4 VanDerWaalsContact C-N 3.31Å; R2-L4 PolarHBondContact O-N 2.66Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.04Å; L4-V7 PolarHBondContact O-N 3.16Å; L4-V7 VanDerWaalsContact O-N 3.15Å; L4-F8 HydrophobicContact CB-CD2 4.36Å; L4-F8 HydrophobicContact CB-CE2 4.38Å; L4-F8 WeakPolarHBondContact O-CD2 3.26Å; L4-F8 PolarHBondContact O-N 3.33Å
5	F	76.1	Confident	76.4	Confident	161 Å²	161	121.7 Å²	121.7	71%	0.706	63%	0.63	S	S	*	*	H	α-helix	trans	-61.8	-36.5	178.9	-74.2	-77	0	0	0	113	R2 V3 G9	R2-F5 PolarHBondContact O-N 2.84Å; V3-F5 VanDerWaalsContact C-N 3.34Å; V3-F5 PolarHBondContact O-N 2.67Å; F5-G9 PolarHBondContact O-N 2.7Å
6	F	80.4	Confident	75.8	Confident	156 Å²	156	121 Å²	121	68%	0.684	63%	0.634	S	S	*	*	H	α-helix	trans	-66.3	-43.5	174.4	-75.1	-77.4	0	0	0	111.8	R2 V3 L4 G9 V10	R2-F6 VanDerWaalsContact O-CD2 3.26Å; R2-F6 WeakPolarHBondContact O-CD2 3.31Å; V3-F6 PolarHBondContact O-N 2.94Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 3.04Å; F6-G9 PolarHBondContact O-N 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.27Å; F6-V10 PolarHBondContact O-N 3.05Å; F6-V10 VanDerWaalsContact O-N 3.08Å
7	V	80.4	Confident	75.2	Confident	87 Å²	87	118.6 Å²	118.6	53%	0.527	63%	0.625	S	S	.	*	H	α-helix	trans	-62.6	-46.8	177.8	177.6	0	0	0	0	110.9	V3 L4 G9 V10 L11	V3-V7 HydrophobicContact CG1-CG2 4.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.46Å; V3-V7 PolarHBondContact O-N 3.02Å; V3-V7 VanDerWaalsContact O-N 3.16Å; L4-V7 PolarHBondContact O-N 3.16Å; L4-V7 VanDerWaalsContact O-N 3.15Å; V7-G9 PolarHBondContact O-N 3.27Å; V7-V10 PolarHBondContact O-N 3.43Å; V7-L11 WeakPolarHBondContact O-CB 3.44Å; V7-L11 PolarHBondContact O-N 2.03Å
8	F	80.4	Confident	74.6	Confident	127 Å²	127	117.4 Å²	117.4	56%	0.557	63%	0.625	S	S	*	*	H	α-helix	trans	-62.3	-41.4	177.1	-80	-70.1	0	0	0	112.3	L4 L11 S12	L4-F8 HydrophobicContact CB-CD2 4.36Å; L4-F8 HydrophobicContact CB-CE2 4.38Å; L4-F8 WeakPolarHBondContact O-CD2 3.26Å; L4-F8 PolarHBondContact O-N 3.33Å; F8-L11 PolarHBondContact O-N 3.47Å; F8-S12 PolarHBondContact O-N 3.06Å; F8-S12 PolarHBondContact O-OG 2.9Å; F8-S12 VanDerWaalsContact O-OG 3.09Å
9	G	82.9	Confident	73.8	Confident	32 Å²	32	117.2 Å²	117.2	33%	0.33	63%	0.631	S	S	.	*	H	α-helix	trans	-61.8	-44	177.7	0	0	0	0	0	113.4	F5 F6 V7 L11 S12 L13	F5-G9 PolarHBondContact O-N 2.7Å; F6-G9 PolarHBondContact O-N 3.31Å; V7-G9 PolarHBondContact O-N 3.27Å; G9-L11 VanDerWaalsContact C-N 3.34Å; G9-L11 PolarHBondContact O-N 3.22Å; G9-S12 PolarHBondContact O-N 2.82Å; G9-L13 VanDerWaalsContact O-CD1 3.29Å; G9-L13 WeakPolarHBondContact O-CD1 3.08Å; G9-L13 PolarHBondContact O-N 2.79Å
10	V	80.7	Confident	72.9	Confident	97 Å²	97	117.6 Å²	117.6	59%	0.588	64%	0.638	S	S	*	*	H	α-helix	trans	-64.3	-40.2	176.2	175.7	0	0	0	0	111	F6 V7 L13 M14	F6-V10 WeakPolarHBondContact O-CG2 3.27Å; F6-V10 PolarHBondContact O-N 3.05Å; F6-V10 VanDerWaalsContact O-N 3.08Å; V7-V10 PolarHBondContact O-N 3.43Å; V10-L13 PolarHBondContact O-N 2.05Å; V10-M14 PolarHBondContact O-N 2.89Å
11	L	79.4	Confident	71.8	Confident	107 Å²	107	118.7 Å²	118.7	56%	0.56	63%	0.633	S	S	*	*	H	α-helix	trans	-66.1	-38.3	178.4	-153.5	76.6	0	0	0	112.2	V7 F8 G9 M14 S15	V7-L11 WeakPolarHBondContact O-CB 3.44Å; V7-L11 PolarHBondContact O-N 2.03Å; F8-L11 PolarHBondContact O-N 3.47Å; G9-L11 VanDerWaalsContact C-N 3.34Å; G9-L11 PolarHBondContact O-N 3.22Å; L11-M14 PolarHBondContact O-N 3.28Å; L11-S15 WeakPolarHBondContact O-CB 3.01Å; L11-S15 PolarHBondContact O-N 3.41Å; L11-S15 PolarHBondContact O-OG 2.98Å
12	S	79.4	Confident	71	Confident	69 Å²	69	113.2 Å²	113.2	48%	0.483	61%	0.614	S	S	.	*	H	α-helix	trans	-65.7	-40.7	174	-63.5	0	0	0	0	111.9	F8 G9 S15 T16	F8-S12 PolarHBondContact O-N 3.06Å; F8-S12 PolarHBondContact O-OG 2.9Å; F8-S12 VanDerWaalsContact O-OG 3.09Å; G9-S12 PolarHBondContact O-N 2.82Å; S12-S15 PolarHBondContact O-N 3.22Å; S12-T16 WeakPolarHBondContact O-CB 2.99Å; S12-T16 PolarHBondContact O-N 2.88Å; S12-T16 PolarHBondContact O-OG1 3.13Å
13	L	73.8	Confident	69.7	Low	125 Å²	125	112.6 Å²	112.6	65%	0.654	62%	0.618	S	S	*	*	H	α-helix	trans	-61.6	-47	173.9	-97.9	89	0	0	0	111.2	G9 V10 S15 T16 V17	G9-L13 VanDerWaalsContact O-CD1 3.29Å; G9-L13 WeakPolarHBondContact O-CD1 3.08Å; G9-L13 PolarHBondContact O-N 2.79Å; V10-L13 PolarHBondContact O-N 2.05Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 3.35Å; L13-T16 PolarHBondContact O-N 2.03Å; L13-V17 WeakPolarHBondContact O-CG2 3.07Å; L13-V17 PolarHBondContact O-N 3Å
14	M	69.2	Low	68.3	Low	134 Å²	134	112.2 Å²	112.2	66%	0.66	62%	0.616	S	S	*	*	H	α-helix	trans	-62.9	-31.6	178.1	-74.2	-69.6	103.5	0	0	113.2	V10 L11	V10-M14 PolarHBondContact O-N 2.89Å; L11-M14 PolarHBondContact O-N 3.28Å
15	S	68.2	Low	66.7	Low	95 Å²	95	111.6 Å²	111.6	66%	0.664	62%	0.62	S	S	*	*	H	α-helix	trans	-82.6	-20.5	177.9	-57.2	0	0	0	0	113.7	L11 S12 L13	L11-S15 WeakPolarHBondContact O-CB 3.01Å; L11-S15 PolarHBondContact O-N 3.41Å; L11-S15 PolarHBondContact O-OG 2.98Å; S12-S15 PolarHBondContact O-N 3.22Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 3.35Å
16	T	67.8	Low	65.4	Low	111 Å²	111	110.4 Å²	110.4	68%	0.681	62%	0.622	S	S	*	*	H	α-helix	trans	-83.3	-19.1	180	-53.2	0	0	0	0	111.8	S12 L13 P18	S12-T16 WeakPolarHBondContact O-CB 2.99Å; S12-T16 PolarHBondContact O-N 2.88Å; S12-T16 PolarHBondContact O-OG1 3.13Å; L13-T16 PolarHBondContact O-N 2.03Å; T16-P18 WeakPolarHBondContact O-CD 3.29Å
17	V	64.5	Low	64.1	Low	80 Å²	80	107.4 Å²	107.4	49%	0.485	61%	0.613	S	S	.	*	S	Bend	trans	-72.9	106.7	168.1	-163.4	0	0	0	0	106	L13	L13-V17 WeakPolarHBondContact O-CG2 3.07Å; L13-V17 PolarHBondContact O-N 3Å
18	P	64.9	Low	63.1	Low	97 Å²	97	111.6 Å²	111.6	63%	0.63	63%	0.627	S	S	*	*			trans	-53.4	136.9	166	25.6	-32.1	0	0	0	105.3	T16 T20	T16-P18 WeakPolarHBondContact O-CD 3.29Å; P18-T20 PolarHBondContact O-N 2.86Å
19	P	59.2	Low	62.5	Low	113 Å²	113	106.5 Å²	106.5	73%	0.734	61%	0.607	S	S	*	*			trans	-48.7	118.9	174.1	21.6	-31	0	0	0	105	R21	P19-R21 PolarHBondContact O-N 3.43Å
20	T	55.7	Low	61.5	Low	126 Å²	126	109 Å²	109	77%	0.773	62%	0.617	S	S	*	*			trans	-60.1	82.7	164.4	39.3	0	0	0	0	103.8	P18 S22	P18-T20 PolarHBondContact O-N 2.86Å; T20-S22 PolarHBondContact O-N 2.96Å
21	R	50.6	Low	60.7	Low	141 Å²	141	108 Å²	108	53%	0.532	61%	0.614	S	S	.	*			trans	-51.9	92.4	143.4	-76.1	-175.7	177.3	-165.2	-7.6	100.9	P19 F23 A51	P19-R21 PolarHBondContact O-N 3.43Å; R21-F23 WeakPolarHBondContact O-CB 3.17Å; R21-F23 PolarHBondContact O-N 3.3Å; R21-A51 PolarHBondContact NH1-O 2.87Å; R21-A51 PolarHBondContact NH2-O 3.43Å
22	S	46.5	Very low	60.1	Low	86 Å²	86	110.9 Å²	110.9	60%	0.601	63%	0.625	S	S	*	*			trans	-49.8	93.8	138.9	41.1	0	0	0	0	103.6	T20	T20-S22 PolarHBondContact O-N 2.96Å
23	F	48.6	Very low	59.4	Low	200 Å²	200	114.1 Å²	114.1	88%	0.877	63%	0.627	S	S	*	*			cis	37.3	24.1	45.6	-121.5	-82.7	0	0	0	114.5	R21	R21-F23 WeakPolarHBondContact O-CB 3.17Å; R21-F23 PolarHBondContact O-N 3.3Å
24	T	46.5	Very low	59.4	Low	103 Å²	103	110.6 Å²	110.6	63%	0.632	61%	0.606	S	S	*	*			trans	-106.6	88.3	154.2	51.6	0	0	0	0	106.3
25	S	45.1	Very low	59.9	Low	96 Å²	96	108.1 Å²	108.1	67%	0.671	59%	0.592	S	S	*	*	S	Bend	trans	40.7	106.2	139	56.2	0	0	0	0	117.1
26	N	48.9	Very low	60.4	Low	136 Å²	136	106.6 Å²	106.6	73%	0.727	58%	0.581	S	S	*	*			trans	128.5	23.6	161.1	-67.4	-61.7	0	0	0	116.9	E28 R48	N26-E28 VanDerWaalsContact C-N 3.33Å; N26-R48 PolarHBondContact O-NH1 2.99Å; N26-R48 PolarHBondContact O-NH2 3.33Å
27	D	52.8	Low	61.2	Low	93 Å²	93	106.1 Å²	106.1	50%	0.497	57%	0.567	S	S	.	*			trans	-82	-1.5	172.6	-85.6	-36.8	0	0	0	114.8	C29 A51	D27-C29 PolarHBondContact O-N 3.01Å; D27-A51 HydrophobicContact CB-CB 4.33Å
28	E	60.6	Low	62.1	Low	176 Å²	176	110.1 Å²	110.1	82%	0.822	58%	0.584	S	S	*	*	S	Bend	trans	-75.8	126.1	167.1	-93.8	162	105.9	0	0	109.1	N26 P30 R48	N26-E28 VanDerWaalsContact C-N 3.33Å; E28-P30 VanDerWaalsContact O-CD 3.26Å; E28-P30 WeakPolarHBondContact O-CD 3.1Å; E28-R48 PolarHBondContact O-NH2 2.98Å
29	C	66.4	Low	63.2	Low	20 Å²	20	113.7 Å²	113.7	14%	0.135	59%	0.59	C	S	.	*			trans	-47.5	113.7	167	-74.3	0	0	0	0	109.4	D27 S31 Y34 C36 C56	D27-C29 PolarHBondContact O-N 3.01Å; C29-S31 PolarHBondContact O-N 2.76Å; C29-Y34 VanDerWaalsContact CB-CB 3.5Å; C29-Y34 HydrophobicContact CB-CG 4.45Å; C29-C36 PolarHBondContact SG-SG 2.75Å; C29-C56 WeakPolarHBondContact CB-SG 3.43Å; C29-C56 VanDerWaalsContact SG-CA 3.55Å; C29-C56 WeakPolarHBondContact SG-CB 3.27Å; C29-C56 CovalentContact SG-SG 2.03Å; C29-C56 PolarHBondContact SG-SG 3.11Å
30	P	62.8	Low	64.4	Low	84 Å²	84	109.5 Å²	109.5	55%	0.545	56%	0.563	S	S	.	*			trans	-75.7	117.3	-174.2	28.2	-31.3	0	0	0	108.5	E28 Y34	E28-P30 VanDerWaalsContact O-CD 3.26Å; E28-P30 WeakPolarHBondContact O-CD 3.1Å; P30-Y34 WeakPolarHBondContact O-CD2 3.12Å; P30-Y34 WeakPolarHBondContact O-CE2 3.4Å
31	S	63.4	Low	65.9	Low	75 Å²	75	107.3 Å²	107.3	52%	0.524	55%	0.546	S	S	.	.	S	Bend	trans	108	152.1	167.3	-169.3	0	0	0	0	116.3	C29 Y33 Y34	C29-S31 PolarHBondContact O-N 2.76Å; S31-Y33 PolarHBondContact O-N 2.73Å; S31-Y34 WeakPolarHBondContact O-CD2 3.44Å; S31-Y34 PolarHBondContact O-N 3.05Å
32	E	66.5	Low	67.6	Low	168 Å²	168	104.7 Å²	104.7	79%	0.785	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	-18	-177.9	-141	178.3	151.3	0	0	114.5
33	Y	66.3	Low	69.4	Low	138 Å²	138	105 Å²	105	54%	0.541	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.4	9.5	-177.9	-56.9	-73	0	0	0	114.7	S31 L59	S31-Y33 PolarHBondContact O-N 2.73Å; Y33-L59 HydrophobicContact CD1-CD1 4.15Å; Y33-L59 PolarHBondContact O-N 3.22Å
34	Y	73.7	Confident	71.1	Confident	51 Å²	51	96.1 Å²	96.1	20%	0.2	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.9	-175.7	-58.2	-114.5	0	0	0	110.5	C29 P30 S31 I47 C57 K58	C29-Y34 VanDerWaalsContact CB-CB 3.5Å; C29-Y34 HydrophobicContact CB-CG 4.45Å; P30-Y34 WeakPolarHBondContact O-CD2 3.12Å; P30-Y34 WeakPolarHBondContact O-CE2 3.4Å; S31-Y34 WeakPolarHBondContact O-CD2 3.44Å; S31-Y34 PolarHBondContact O-N 3.05Å; Y34-I47 HydrophobicContact CD1-CD1 3.94Å; Y34-I47 HydrophobicContact CE1-CD1 3.45Å; Y34-I47 VanDerWaalsContact CE1-CD1 3.45Å; Y34-C57 VanDerWaalsContact CA-O 3.29Å; Y34-C57 WeakPolarHBondContact CA-O 3.43Å; Y34-K58 HydrophobicContact CD1-CB 3.78Å; Y34-K58 HydrophobicContact CD1-CD 4.36Å; Y34-K58 HydrophobicContact CD1-CG 4.12Å; Y34-K58 HydrophobicContact CE1-CB 3.79Å; Y34-K58 HydrophobicContact CE1-CD 3.52Å; Y34-K58 HydrophobicContact CE1-CG 3.77Å; Y34-K58 HydrophobicContact CE2-CD 4.39Å; Y34-K58 HydrophobicContact CE2-CG 4.39Å; Y34-K58 HydrophobicContact CG-CB 4.45Å; Y34-K58 WeakPolarHBondContact OH-CD 3Å; Y34-K58 VanDerWaalsContact OH-CE 3.27Å; Y34-K58 WeakPolarHBondContact OH-CE 3.2Å; Y34-K58 PolarHBondContact OH-NZ 3.04Å
35	H	78.7	Confident	72.9	Confident	82 Å²	82	94.6 Å²	94.6	38%	0.38	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.2	179.8	-60.6	-68.2	0	0	0	110.3	R37 C57	H35-R37 HydrophobicContact CB-CG 4.4Å; H35-R37 PolarHBondContact O-N 3Å; H35-C57 PolarHBondContact N-O 3.06Å; H35-C57 WeakPolarHBondContact O-CB 3.12Å; H35-C57 PolarHBondContact O-N 3.49Å
36	C	79.5	Confident	74.8	Confident	63 Å²	63	93.1 Å²	93.1	43%	0.426	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.7	168.3	-72.6	0	0	0	0	109.2	C29 C50 S54 I55	C29-C36 PolarHBondContact SG-SG 2.75Å; C36-C50 HydrophobicContact CB-CB 4.11Å; C36-C50 WeakPolarHBondContact CB-SG 3.01Å; C36-C50 WeakPolarHBondContact SG-CB 3.3Å; C36-C50 CovalentContact SG-SG 2.05Å; C36-C50 PolarHBondContact SG-SG 3.38Å; C36-S54 WeakPolarHBondContact CB-OG 3.17Å; C36-I55 WeakPolarHBondContact CA-O 3.4Å
37	R	83.7	Confident	76.5	Confident	101 Å²	101	90.7 Å²	90.7	38%	0.381	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.6	176.5	-60.8	-178.2	-178.9	-80.5	-2.9	110	H35 K39 E44 I55	H35-R37 HydrophobicContact CB-CG 4.4Å; H35-R37 PolarHBondContact O-N 3Å; R37-K39 WeakPolarHBondContact CB-O 3.33Å; R37-K39 PolarHBondContact O-N 2.82Å; R37-E44 IonicContact NE-OE1 3.58Å; R37-E44 IonicContact NE-OE2 3.64Å; R37-I55 PolarHBondContact N-O 3.09Å; R37-I55 WeakPolarHBondContact O-CA 3.34Å; R37-I55 PolarHBondContact O-N 2.91Å; R37-I55 VanDerWaalsContact O-O 3.14Å
38	L	84.8	Confident	77.8	Confident	163 Å²	163	90.6 Å²	90.6	85%	0.853	47%	0.469	S	S	*	.	S	Bend	trans	-59.7	-28.7	171.2	-82.3	133.8	0	0	0	112.5
39	K	86.5	Confident	78.8	Confident	173 Å²	173	90.3 Å²	90.3	75%	0.752	46%	0.462	S	S	*	.	S	Bend	trans	-148.5	134.1	177.4	-177.1	178	178	-179.1	0	108.9	R37	R37-K39 WeakPolarHBondContact CB-O 3.33Å; R37-K39 PolarHBondContact O-N 2.82Å
40	C	86.1	Confident	79.5	Confident	25 Å²	25	90 Å²	90	17%	0.169	46%	0.459	C	S	.	.			trans	-72.5	149.9	175.8	-55.7	0	0	0	0	111.8	E44 C57	C40-E44 HydrophobicContact CB-CB 4Å; C40-C57 WeakPolarHBondContact CA-SG 3.46Å; C40-C57 HydrophobicContact CB-CB 3.7Å; C40-C57 WeakPolarHBondContact CB-SG 3.29Å; C40-C57 VanDerWaalsContact SG-CA 3.52Å; C40-C57 WeakPolarHBondContact SG-CB 3.03Å; C40-C57 CovalentContact SG-SG 2.03Å; C40-C57 PolarHBondContact SG-SG 3.28Å
41	N	85.6	Confident	80.1	Confident	79 Å²	79	87.8 Å²	87.8	42%	0.422	45%	0.448	S	S	.	.			trans	-70.5	165.2	171.8	-66.5	-40	0	0	0	111.2	D43 E44	N41-D43 PolarHBondContact O-N 2.61Å; N41-E44 HydrophobicContact CB-CB 4.48Å; N41-E44 HydrophobicContact CB-CG 4.22Å; N41-E44 PolarHBondContact N-OE2 3.34Å; N41-E44 VanDerWaalsContact N-OE2 3.13Å; N41-E44 PolarHBondContact ND2-OE1 3.23Å; N41-E44 PolarHBondContact O-N 2.81Å
42	A	86.2	Confident	80.8	Confident	87 Å²	87	90.3 Å²	90.3	72%	0.719	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.5	179.1	0	0	0	0	0	112.8	E44 K60	A42-E44 PolarHBondContact O-N 3.41Å; A42-K60 PolarHBondContact O-NZ 3.15Å
43	D	84.1	Confident	81.4	Confident	92 Å²	92	90.5 Å²	90.5	49%	0.492	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.9	177.8	-50.1	-54.1	0	0	0	112.9	N41 K60	N41-D43 PolarHBondContact O-N 2.61Å; D43-K60 VanDerWaalsContact O-CB 3.27Å; D43-K60 WeakPolarHBondContact O-CB 3.36Å; D43-K60 WeakPolarHBondContact O-CG 3.14Å; D43-K60 PolarHBondContact O-N 2.9Å
44	E	85.7	Confident	82.2	Confident	14 Å²	14	84.6 Å²	84.6	7%	0.065	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	161.4	179.6	-65.7	166.6	-176	0	0	110.6	R37 C40 N41 A42 C57 K58 L59 K60	R37-E44 IonicContact NE-OE1 3.58Å; R37-E44 IonicContact NE-OE2 3.64Å; C40-E44 HydrophobicContact CB-CB 4Å; N41-E44 HydrophobicContact CB-CB 4.48Å; N41-E44 HydrophobicContact CB-CG 4.22Å; N41-E44 PolarHBondContact N-OE2 3.34Å; N41-E44 VanDerWaalsContact N-OE2 3.13Å; N41-E44 PolarHBondContact ND2-OE1 3.23Å; N41-E44 PolarHBondContact O-N 2.81Å; A42-E44 PolarHBondContact O-N 3.41Å; E44-C57 HydrophobicContact CB-CB 4.07Å; E44-C57 HydrophobicContact CG-CB 4.42Å; E44-C57 WeakPolarHBondContact OE2-CB 3.44Å; E44-K58 CarbonylContact C-O 3.45Å; E44-K58 WeakPolarHBondContact CA-O 3.46Å; E44-L59 HydrophobicContact CG-CD2 4.18Å; E44-L59 HydrophobicContact CG-CG 4.19Å; E44-K60 VanDerWaalsContact O-CE 3.3Å; E44-K60 WeakPolarHBondContact O-CE 3.26Å
45	H	84.6	Confident	82.7	Confident	71 Å²	71	84 Å²	84	33%	0.329	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.6	168.8	63.6	-76.7	0	0	0	110.8	C57 K58 K60	H45-C57 WeakPolarHBondContact O-CA 3.22Å; H45-K58 PolarHBondContact N-O 3.47Å; H45-K58 PolarHBondContact ND1-O 3.36Å; H45-K58 PolarHBondContact O-N 3.08Å; H45-K60 HydrophobicContact CB-CG 4.45Å
46	A	85.1	Confident	83	Confident	64 Å²	64	80.1 Å²	80.1	53%	0.529	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	131.7	176.4	0	0	0	0	0	110.2	I55	A46-I55 HydrophobicContact CB-CG2 3.43Å; A46-I55 VanDerWaalsContact CB-CG2 3.43Å
47	I	83.1	Confident	83.4	Confident	85 Å²	85	77.1 Å²	77.1	44%	0.436	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-52.8	177.5	-62.4	179.2	0	0	0	111.2	Y34 C56 K58	Y34-I47 HydrophobicContact CD1-CD1 3.94Å; Y34-I47 HydrophobicContact CE1-CD1 3.45Å; Y34-I47 VanDerWaalsContact CE1-CD1 3.45Å; I47-C56 PolarHBondContact N-O 2.93Å; I47-K58 HydrophobicContact CD1-CB 3.32Å; I47-K58 HydrophobicContact CD1-CD 3.51Å; I47-K58 HydrophobicContact CD1-CG 4.02Å; I47-K58 HydrophobicContact CG1-CB 4.09Å
48	R	81.4	Confident	83.4	Confident	91 Å²	91	75.2 Å²	75.2	34%	0.343	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	165.3	-176.1	64.8	178.8	-173.7	167.6	5.1	110.2	N26 E28 C56	N26-R48 PolarHBondContact O-NH1 2.99Å; N26-R48 PolarHBondContact O-NH2 3.33Å; E28-R48 PolarHBondContact O-NH2 2.98Å; R48-C56 HydrophobicContact CG-CB 3.72Å; R48-C56 WeakPolarHBondContact O-CA 3.42Å; R48-C56 WeakPolarHBondContact O-CB 3.49Å; R48-C56 PolarHBondContact O-N 2.69Å
49	Y	81.5	Confident	83.2	Confident	171 Å²	171	70.6 Å²	70.6	67%	0.671	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	147.6	168.5	-64.8	-81.8	0	0	0	110.3	S54 I55	Y49-S54 CarbonylContact C-O 3.55Å; Y49-S54 WeakPolarHBondContact CA-O 3.49Å; Y49-I55 HydrophobicContact CD1-CG1 4.1Å; Y49-I55 HydrophobicContact CE1-CG1 3.93Å
50	C	80.1	Confident	82.7	Confident	12 Å²	12	67.2 Å²	67.2	8%	0.081	35%	0.351	C	S	.	.			trans	-90.1	169.1	169.8	-47.9	0	0	0	0	110	C36 D52 F53 S54	C36-C50 HydrophobicContact CB-CB 4.11Å; C36-C50 WeakPolarHBondContact CB-SG 3.01Å; C36-C50 WeakPolarHBondContact SG-CB 3.3Å; C36-C50 CovalentContact SG-SG 2.05Å; C36-C50 PolarHBondContact SG-SG 3.38Å; C50-D52 PolarHBondContact O-N 3.01Å; C50-D52 VanDerWaalsContact O-N 3.11Å; C50-F53 PolarHBondContact O-N 3.32Å; C50-F53 VanDerWaalsContact O-N 3.09Å; C50-S54 WeakPolarHBondContact CB-OG 3.46Å; C50-S54 PolarHBondContact N-O 3.37Å
51	A	75.4	Confident	81.8	Confident	38 Å²	38	73 Å²	73	31%	0.314	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.3	-179.6	0	0	0	0	0	114.5	R21 D27 F53	R21-A51 PolarHBondContact NH1-O 2.87Å; R21-A51 PolarHBondContact NH2-O 3.43Å; D27-A51 HydrophobicContact CB-CB 4.33Å; A51-F53 VanDerWaalsContact C-N 3.34Å
52	D	79.1	Confident	80.6	Confident	129 Å²	129	73.9 Å²	73.9	69%	0.69	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	16.5	179.4	-58.6	-42.6	0	0	0	113.3	C50 S54	C50-D52 PolarHBondContact O-N 3.01Å; C50-D52 VanDerWaalsContact O-N 3.11Å; D52-S54 PolarHBondContact O-N 3.04Å
53	F	78.1	Confident	79	Confident	172 Å²	172	78.1 Å²	78.1	75%	0.754	39%	0.387	S	S	*	.	S	Bend	trans	62.8	3.4	-174.1	-59.9	-90	0	0	0	115.2	C50 A51	C50-F53 PolarHBondContact O-N 3.32Å; C50-F53 VanDerWaalsContact O-N 3.09Å; A51-F53 VanDerWaalsContact C-N 3.34Å
54	S	82.5	Confident	77.6	Confident	14 Å²	14	80 Å²	80	10%	0.098	40%	0.396	C	S	.	.			trans	-68.8	164.9	165	59.9	0	0	0	0	111	C36 Y49 C50 D52	C36-S54 WeakPolarHBondContact CB-OG 3.17Å; Y49-S54 CarbonylContact C-O 3.55Å; Y49-S54 WeakPolarHBondContact CA-O 3.49Å; C50-S54 WeakPolarHBondContact CB-OG 3.46Å; C50-S54 PolarHBondContact N-O 3.37Å; D52-S54 PolarHBondContact O-N 3.04Å
55	I	84.5	Confident	75.9	Confident	38 Å²	38	85.3 Å²	85.3	20%	0.195	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.2	177.9	-55.5	174	0	0	0	108.8	C36 R37 A46 Y49 C57	C36-I55 WeakPolarHBondContact CA-O 3.4Å; R37-I55 PolarHBondContact N-O 3.09Å; R37-I55 WeakPolarHBondContact O-CA 3.34Å; R37-I55 PolarHBondContact O-N 2.91Å; R37-I55 VanDerWaalsContact O-O 3.14Å; A46-I55 HydrophobicContact CB-CG2 3.43Å; A46-I55 VanDerWaalsContact CB-CG2 3.43Å; Y49-I55 HydrophobicContact CD1-CG1 4.1Å; Y49-I55 HydrophobicContact CE1-CG1 3.93Å; I55-C57 PolarHBondContact O-N 3.09Å; I55-C57 PolarHBondContact O-SG 3.42Å; I55-C57 VanDerWaalsContact O-SG 3.35Å
56	C	86.3	Confident	74.3	Confident	1 Å²	1	84.3 Å²	84.3	1%	0.007	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	108.3	168.9	-168.8	0	0	0	0	108.7	C29 I47 R48	C29-C56 WeakPolarHBondContact CB-SG 3.43Å; C29-C56 VanDerWaalsContact SG-CA 3.55Å; C29-C56 WeakPolarHBondContact SG-CB 3.27Å; C29-C56 CovalentContact SG-SG 2.03Å; C29-C56 PolarHBondContact SG-SG 3.11Å; I47-C56 PolarHBondContact N-O 2.93Å; R48-C56 HydrophobicContact CG-CB 3.72Å; R48-C56 WeakPolarHBondContact O-CA 3.42Å; R48-C56 WeakPolarHBondContact O-CB 3.49Å; R48-C56 PolarHBondContact O-N 2.69Å
57	C	86.5	Confident	72.5	Confident	0 Å²	0	90.6 Å²	90.6	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.7	-176.4	-57.7	0	0	0	0	109.8	Y34 H35 C40 E44 H45 I55	Y34-C57 VanDerWaalsContact CA-O 3.29Å; Y34-C57 WeakPolarHBondContact CA-O 3.43Å; H35-C57 PolarHBondContact N-O 3.06Å; H35-C57 WeakPolarHBondContact O-CB 3.12Å; H35-C57 PolarHBondContact O-N 3.49Å; C40-C57 WeakPolarHBondContact CA-SG 3.46Å; C40-C57 HydrophobicContact CB-CB 3.7Å; C40-C57 WeakPolarHBondContact CB-SG 3.29Å; C40-C57 VanDerWaalsContact SG-CA 3.52Å; C40-C57 WeakPolarHBondContact SG-CB 3.03Å; C40-C57 CovalentContact SG-SG 2.03Å; C40-C57 PolarHBondContact SG-SG 3.28Å; E44-C57 HydrophobicContact CB-CB 4.07Å; E44-C57 HydrophobicContact CG-CB 4.42Å; E44-C57 WeakPolarHBondContact OE2-CB 3.44Å; H45-C57 WeakPolarHBondContact O-CA 3.22Å; I55-C57 PolarHBondContact O-N 3.09Å; I55-C57 PolarHBondContact O-SG 3.42Å; I55-C57 VanDerWaalsContact O-SG 3.35Å
58	K	84	Confident	70.5	Confident	60 Å²	60	94 Å²	94	26%	0.261	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.3	174.8	177.2	179.9	-178.3	171.4	0	110	Y34 E44 H45 I47 K60	Y34-K58 HydrophobicContact CD1-CB 3.78Å; Y34-K58 HydrophobicContact CD1-CD 4.36Å; Y34-K58 HydrophobicContact CD1-CG 4.12Å; Y34-K58 HydrophobicContact CE1-CB 3.79Å; Y34-K58 HydrophobicContact CE1-CD 3.52Å; Y34-K58 HydrophobicContact CE1-CG 3.77Å; Y34-K58 HydrophobicContact CE2-CD 4.39Å; Y34-K58 HydrophobicContact CE2-CG 4.39Å; Y34-K58 HydrophobicContact CG-CB 4.45Å; Y34-K58 WeakPolarHBondContact OH-CD 3Å; Y34-K58 VanDerWaalsContact OH-CE 3.27Å; Y34-K58 WeakPolarHBondContact OH-CE 3.2Å; Y34-K58 PolarHBondContact OH-NZ 3.04Å; E44-K58 CarbonylContact C-O 3.45Å; E44-K58 WeakPolarHBondContact CA-O 3.46Å; H45-K58 PolarHBondContact N-O 3.47Å; H45-K58 PolarHBondContact ND1-O 3.36Å; H45-K58 PolarHBondContact O-N 3.08Å; I47-K58 HydrophobicContact CD1-CB 3.32Å; I47-K58 HydrophobicContact CD1-CD 3.51Å; I47-K58 HydrophobicContact CD1-CG 4.02Å; I47-K58 HydrophobicContact CG1-CB 4.09Å; K58-K60 PolarHBondContact O-N 2.97Å
59	L	81.5	Confident	68.7	Low	66 Å²	66	98.7 Å²	98.7	35%	0.346	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	123.9	170	-80.6	152.5	0	0	0	109.9	Y33 E44 I61	Y33-L59 HydrophobicContact CD1-CD1 4.15Å; Y33-L59 PolarHBondContact O-N 3.22Å; E44-L59 HydrophobicContact CG-CD2 4.18Å; E44-L59 HydrophobicContact CG-CG 4.19Å; L59-I61 PolarHBondContact O-N 3.16Å; L59-I61 VanDerWaalsContact O-N 3.16Å
60	K	76	Confident	66.8	Low	103 Å²	103	106.6 Å²	106.6	45%	0.448	52%	0.515	S	S	.	.			trans	-61.9	119.5	164.5	-65.3	169.8	-176.4	160.4	0	104.5	A42 D43 E44 H45 K58 I62	A42-K60 PolarHBondContact O-NZ 3.15Å; D43-K60 VanDerWaalsContact O-CB 3.27Å; D43-K60 WeakPolarHBondContact O-CB 3.36Å; D43-K60 WeakPolarHBondContact O-CG 3.14Å; D43-K60 PolarHBondContact O-N 2.9Å; E44-K60 VanDerWaalsContact O-CE 3.3Å; E44-K60 WeakPolarHBondContact O-CE 3.26Å; H45-K60 HydrophobicContact CB-CG 4.45Å; K58-K60 PolarHBondContact O-N 2.97Å; K60-I62 HydrophobicContact CB-CG1 4.41Å; K60-I62 PolarHBondContact O-N 3.24Å
61	I	67.4	Low	66.2	Low	147 Å²	147	111.4 Å²	111.4	75%	0.754	54%	0.537	S	S	*	.			trans	-67.1	84.6	167.5	-57.3	172	0	0	0	104.7	L59 Q63	L59-I61 PolarHBondContact O-N 3.16Å; L59-I61 VanDerWaalsContact O-N 3.16Å; I61-Q63 VanDerWaalsContact C-N 3.26Å; I61-Q63 PolarHBondContact O-N 3.35Å
62	I	59.2	Low	65.7	Low	97 Å²	97	115.2 Å²	115.2	50%	0.497	55%	0.549	S	S	.	.			trans	-64.6	106.3	158.9	-55	173.7	0	0	0	100.9	K60 I64	K60-I62 HydrophobicContact CB-CG1 4.41Å; K60-I62 PolarHBondContact O-N 3.24Å; I62-I64 HydrophobicContact CB-CG1 4.08Å; I62-I64 HydrophobicContact CG2-CG1 3.77Å; I62-I64 PolarHBondContact O-N 3.31Å
63	Q	53.5	Low	64.9	Low	176 Å²	176	114.4 Å²	114.4	82%	0.822	54%	0.541	S	S	*	.			trans	-57.9	85.3	157.5	-75	-176.6	-16.4	0	0	104.6	I61 D65	I61-Q63 VanDerWaalsContact C-N 3.26Å; I61-Q63 PolarHBondContact O-N 3.35Å; Q63-D65 PolarHBondContact O-N 3.4Å
64	I	53.6	Low	64.2	Low	132 Å²	132	111.1 Å²	111.1	68%	0.677	53%	0.528	S	S	*	.			trans	-67.2	95.4	165.1	-57.7	177.5	0	0	0	101.5	I62 G66	I62-I64 HydrophobicContact CB-CG1 4.08Å; I62-I64 HydrophobicContact CG2-CG1 3.77Å; I62-I64 PolarHBondContact O-N 3.31Å; I64-G66 PolarHBondContact O-N 3.36Å
65	D	50.3	Low	63	Low	124 Å²	124	117.1 Å²	117.1	66%	0.663	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	68.9	160.1	-176.1	29.1	0	0	0	107.8	Q63 K68	Q63-D65 PolarHBondContact O-N 3.4Å; D65-K68 VanDerWaalsContact OD1-CE 3.31Å; D65-K68 WeakPolarHBondContact OD1-CE 3.45Å; D65-K68 IonicContact OD1-NZ 2.81Å; D65-K68 PolarHBondContact OD1-NZ 3.5Å; D65-K68 IonicContact OD2-NZ 3.32Å; D65-K68 PolarHBondContact OD2-NZ 3.39Å
66	G	51	Low	61.6	Low	50 Å²	50	122.4 Å²	122.4	52%	0.515	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-154.1	-1.9	-165.2	0	0	0	0	0	113.5	I64	I64-G66 PolarHBondContact O-N 3.36Å
67	Q	47.7	Very low	59.8	Low	196 Å²	196	131.1 Å²	131.1	92%	0.916	62%	0.62	S	S	*	*			trans	-107	54.3	148.6	-73.5	-146.4	-7.5	0	0	111.1
68	K	40.5	Very low	57.8	Low	157 Å²	157	141.2 Å²	141.2	68%	0.683	67%	0.668	S	S	*	*			trans	-89.2	91	141	-78.1	178	-175	136.7	0	107.6	D65	D65-K68 VanDerWaalsContact OD1-CE 3.31Å; D65-K68 WeakPolarHBondContact OD1-CE 3.45Å; D65-K68 IonicContact OD1-NZ 2.81Å; D65-K68 PolarHBondContact OD1-NZ 3.5Å; D65-K68 IonicContact OD2-NZ 3.32Å; D65-K68 PolarHBondContact OD2-NZ 3.39Å
69	K	44.2	Very low	55.6	Low	189 Å²	189	147.9 Å²	147.9	82%	0.822	70%	0.702	S	S	*	*			trans	-140.8	90.2	156.4	-83.9	-167	177.3	178.3	0	109
70	W	42.1	Very low	53.2	Low	338 Å²	338	155.4 Å²	155.4	100%	1.28	73%	0.734	S	S	*	*			trans	74.6	0	162.4	-69.5	48.7	0	0	0	117.1

Retrieved 70 of 70 residues in 20.6 ms (Link to these results)

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