G4VEZ6_SCHMA Loading...

Secretory peptide

AlphaFold DB , UniProt , Accession G4VEZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 aa.

						>G4VEZ6_SCHMA|G4VEZ6
MLKYCTCTFLCYICLIIIIEARTRTKDYDKNLGVKAVTRLCGMEGEECMDDFNCCEEYECSPDLQCQLRNARNKIAGSYRNLCVADYDCLPGWCCEGKLYARRCTQDCNRKTEPDVVPAGSYYGRQFWNLWAHKRHMDRNHY
					

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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	47	Very low	68.9	Low	223 Å²	223	126.9 Å²	126.9	100%	1.099	65%	0.654	S	S	*	*				0	-18.1	0	-92.6	177	172.1	0	0	115.1	K3	M1-K3 PolarHBondContact O-N 3.04Å
2	L	55.2	Low	70.4	Confident	150 Å²	150	129.1 Å²	129.1	79%	0.785	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-21.1	-173.3	-135	74.9	0	0	0	116.4	Y4 C5	L2-Y4 PolarHBondContact O-N 3Å; L2-C5 PolarHBondContact O-N 2.01Å
3	K	56.6	Low	71.6	Confident	184 Å²	184	125.7 Å²	125.7	80%	0.8	63%	0.633	S	S	*	*	H	α-helix	trans	-71.5	-27	-176.9	-81.4	-178.3	174.5	178	0	114.6	M1 T6	M1-K3 PolarHBondContact O-N 3.04Å; K3-T6 PolarHBondContact O-OG1 3.32Å
4	Y	61.6	Low	72.7	Confident	196 Å²	196	121.6 Å²	121.6	77%	0.769	62%	0.621	S	S	*	*	H	α-helix	trans	-76.9	-26.5	179.4	-69.3	-75.9	0	0	0	112.3	L2 T8	L2-Y4 PolarHBondContact O-N 3Å; Y4-T8 PolarHBondContact O-N 2.79Å; Y4-T8 PolarHBondContact O-OG1 3.28Å
5	C	65.9	Low	73.6	Confident	71 Å²	71	120.3 Å²	120.3	48%	0.48	62%	0.615	S	S	.	*	H	α-helix	trans	-77.5	-32.8	-176	-155.1	0	0	0	0	112.7	L2 T8 F9	L2-C5 PolarHBondContact O-N 2.01Å; C5-T8 PolarHBondContact O-OG1 2.97Å; C5-F9 PolarHBondContact O-N 3.19Å
6	T	70.8	Confident	74.4	Confident	85 Å²	85	117 Å²	117	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-73.9	-34.2	176.4	54.5	0	0	0	0	112	K3 F9 L10	K3-T6 PolarHBondContact O-OG1 3.32Å; T6-F9 PolarHBondContact O-N 2.74Å; T6-L10 WeakPolarHBondContact O-CG 2.95Å; T6-L10 PolarHBondContact O-N 2.78Å
7	C	74	Confident	74.9	Confident	77 Å²	77	116.2 Å²	116.2	52%	0.52	60%	0.595	S	S	.	*	H	α-helix	trans	-66.9	-40.7	179.3	-156.9	0	0	0	0	111.8	L10 C11	C7-L10 PolarHBondContact O-N 3.23Å; C7-C11 WeakPolarHBondContact O-CB 2.91Å; C7-C11 PolarHBondContact O-N 2.76Å; C7-C11 PolarHBondContact O-SG 3.26Å
8	T	78.6	Confident	75.2	Confident	91 Å²	91	114.5 Å²	114.5	56%	0.558	59%	0.586	S	S	*	*	H	α-helix	trans	-66.5	-39.1	175.9	47.7	0	0	0	0	112.3	Y4 C5 C11 Y12	Y4-T8 PolarHBondContact O-N 2.79Å; Y4-T8 PolarHBondContact O-OG1 3.28Å; C5-T8 PolarHBondContact O-OG1 2.97Å; T8-C11 PolarHBondContact O-N 2.8Å; T8-Y12 WeakPolarHBondContact O-CB 3.47Å; T8-Y12 PolarHBondContact O-N 3.06Å
9	F	81.1	Confident	75.4	Confident	136 Å²	136	114.1 Å²	114.1	60%	0.596	58%	0.584	S	S	*	*	H	α-helix	trans	-63.5	-44.6	174.7	-103.5	-84.5	0	0	0	112.6	C5 T6 Y12 I13	C5-F9 PolarHBondContact O-N 3.19Å; T6-F9 PolarHBondContact O-N 2.74Å; F9-Y12 PolarHBondContact O-N 2.74Å; F9-I13 WeakPolarHBondContact O-CG1 3.47Å; F9-I13 PolarHBondContact O-N 2.93Å
10	L	82.4	Confident	75.3	Confident	111 Å²	111	113.2 Å²	113.2	58%	0.581	58%	0.577	S	S	*	*	H	α-helix	trans	-63.6	-42.3	177.1	-73.1	168.8	0	0	0	111.7	T6 C7 Y12 I13 C14	T6-L10 WeakPolarHBondContact O-CG 2.95Å; T6-L10 PolarHBondContact O-N 2.78Å; C7-L10 PolarHBondContact O-N 3.23Å; L10-Y12 VanDerWaalsContact C-N 3.33Å; L10-Y12 PolarHBondContact O-N 3.07Å; L10-I13 PolarHBondContact O-N 2.85Å; L10-C14 WeakPolarHBondContact O-CB 3.26Å; L10-C14 PolarHBondContact O-N 2.75Å; L10-C14 PolarHBondContact O-SG 3.28Å; L10-C14 VanDerWaalsContact O-SG 3.4Å
11	C	84.6	Confident	75	Confident	72 Å²	72	110.3 Å²	110.3	49%	0.486	57%	0.57	S	S	.	*	H	α-helix	trans	-61.1	-40.9	174.5	-77.3	0	0	0	0	112.3	C7 T8 C14 L15	C7-C11 WeakPolarHBondContact O-CB 2.91Å; C7-C11 PolarHBondContact O-N 2.76Å; C7-C11 PolarHBondContact O-SG 3.26Å; T8-C11 PolarHBondContact O-N 2.8Å; C11-C14 PolarHBondContact O-N 3.04Å; C11-L15 WeakPolarHBondContact O-CG 3.37Å; C11-L15 PolarHBondContact O-N 3.39Å
12	Y	86.5	Confident	75.8	Confident	153 Å²	153	108.1 Å²	108.1	60%	0.6	55%	0.55	S	S	*	.	H	α-helix	trans	-65.6	-42.6	178.5	-169.5	-103	0	0	0	112	T8 F9 L10 L15 I16	T8-Y12 WeakPolarHBondContact O-CB 3.47Å; T8-Y12 PolarHBondContact O-N 3.06Å; F9-Y12 PolarHBondContact O-N 2.74Å; L10-Y12 VanDerWaalsContact C-N 3.33Å; L10-Y12 PolarHBondContact O-N 3.07Å; Y12-L15 PolarHBondContact O-N 2.78Å; Y12-I16 HydrophobicContact CD1-CD1 3.78Å; Y12-I16 HydrophobicContact CE1-CD1 3.42Å; Y12-I16 VanDerWaalsContact CE1-CD1 3.42Å; Y12-I16 HydrophobicContact CE1-CG1 4.3Å; Y12-I16 WeakPolarHBondContact O-CG1 2.98Å; Y12-I16 PolarHBondContact O-N 2.03Å
13	I	87.1	Confident	76.1	Confident	85 Å²	85	104.4 Å²	104.4	44%	0.436	53%	0.534	S	S	.	.	H	α-helix	trans	-63.2	-44.8	175.1	-67.2	161.9	0	0	0	110.9	F9 L10 L15 I16 I17	F9-I13 WeakPolarHBondContact O-CG1 3.47Å; F9-I13 PolarHBondContact O-N 2.93Å; L10-I13 PolarHBondContact O-N 2.85Å; I13-L15 VanDerWaalsContact C-N 3.31Å; I13-L15 PolarHBondContact O-N 3.22Å; I13-I16 PolarHBondContact O-N 3.2Å; I13-I17 HydrophobicContact CG2-CD1 3.93Å; I13-I17 WeakPolarHBondContact O-CG1 3.37Å; I13-I17 PolarHBondContact O-N 3.4Å
14	C	86.4	Confident	76.2	Confident	69 Å²	69	102.9 Å²	102.9	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-60.1	-40.2	176.1	-75.8	0	0	0	0	112.3	L10 C11 I17 I18	L10-C14 WeakPolarHBondContact O-CB 3.26Å; L10-C14 PolarHBondContact O-N 2.75Å; L10-C14 PolarHBondContact O-SG 3.28Å; L10-C14 VanDerWaalsContact O-SG 3.4Å; C11-C14 PolarHBondContact O-N 3.04Å; C14-I17 PolarHBondContact O-N 3.4Å; C14-I18 WeakPolarHBondContact O-CD1 3.37Å; C14-I18 VanDerWaalsContact O-CG1 3.23Å; C14-I18 WeakPolarHBondContact O-CG1 3.38Å; C14-I18 PolarHBondContact O-N 2.98Å
15	L	86.7	Confident	75.9	Confident	101 Å²	101	97.2 Å²	97.2	53%	0.529	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-41.6	176.4	-75.4	169.6	0	0	0	111.9	C11 Y12 I13 I18 I19	C11-L15 WeakPolarHBondContact O-CG 3.37Å; C11-L15 PolarHBondContact O-N 3.39Å; Y12-L15 PolarHBondContact O-N 2.78Å; I13-L15 VanDerWaalsContact C-N 3.31Å; I13-L15 PolarHBondContact O-N 3.22Å; L15-I18 PolarHBondContact O-N 3.05Å; L15-I19 WeakPolarHBondContact O-CB 3.4Å; L15-I19 WeakPolarHBondContact O-CD1 3.33Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 3.32Å
16	I	85.8	Confident	75.3	Confident	68 Å²	68	100.9 Å²	100.9	35%	0.349	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-46.7	175.3	-68.6	172.6	0	0	0	110.6	Y12 I13 I18 I19 E20	Y12-I16 HydrophobicContact CD1-CD1 3.78Å; Y12-I16 HydrophobicContact CE1-CD1 3.42Å; Y12-I16 VanDerWaalsContact CE1-CD1 3.42Å; Y12-I16 HydrophobicContact CE1-CG1 4.3Å; Y12-I16 WeakPolarHBondContact O-CG1 2.98Å; Y12-I16 PolarHBondContact O-N 2.03Å; I13-I16 PolarHBondContact O-N 3.2Å; I16-I18 VanDerWaalsContact C-N 3.33Å; I16-I18 PolarHBondContact O-N 2.8Å; I16-I19 PolarHBondContact O-N 2.9Å; I16-E20 PolarHBondContact O-N 2.99Å
17	I	83.5	Confident	74.3	Confident	104 Å²	104	101.3 Å²	101.3	53%	0.533	52%	0.515	S	S	.	.	H	α-helix	trans	-60.7	-42.3	178.6	-65.6	166.9	0	0	0	111.2	I13 C14 E20 A21	I13-I17 HydrophobicContact CG2-CD1 3.93Å; I13-I17 WeakPolarHBondContact O-CG1 3.37Å; I13-I17 PolarHBondContact O-N 3.4Å; C14-I17 PolarHBondContact O-N 3.4Å; I17-E20 PolarHBondContact O-N 2.8Å; I17-A21 VanDerWaalsContact O-CB 3.31Å; I17-A21 WeakPolarHBondContact O-CB 3.16Å; I17-A21 PolarHBondContact O-N 3.01Å
18	I	80.5	Confident	72.9	Confident	85 Å²	85	104.5 Å²	104.5	44%	0.436	52%	0.517	S	S	.	.	H	α-helix	trans	-66.3	-38.6	178.1	-67.7	165.5	0	0	0	111.2	C14 L15 I16 R22	C14-I18 WeakPolarHBondContact O-CD1 3.37Å; C14-I18 VanDerWaalsContact O-CG1 3.23Å; C14-I18 WeakPolarHBondContact O-CG1 3.38Å; C14-I18 PolarHBondContact O-N 2.98Å; L15-I18 PolarHBondContact O-N 3.05Å; I16-I18 VanDerWaalsContact C-N 3.33Å; I16-I18 PolarHBondContact O-N 2.8Å; I18-R22 WeakPolarHBondContact O-CB 3.42Å; I18-R22 WeakPolarHBondContact O-CG 2.99Å; I18-R22 PolarHBondContact O-N 3.44Å
19	I	78.5	Confident	71.4	Confident	106 Å²	106	104.3 Å²	104.3	54%	0.544	51%	0.513	S	S	.	.	H	α-helix	trans	-65.5	-47.7	176.8	-68.8	163.9	0	0	0	110.1	L15 I16 A21 R22 T23	L15-I19 WeakPolarHBondContact O-CB 3.4Å; L15-I19 WeakPolarHBondContact O-CD1 3.33Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 3.32Å; I16-I19 PolarHBondContact O-N 2.9Å; I19-A21 VanDerWaalsContact C-N 3.35Å; I19-A21 PolarHBondContact O-N 3.04Å; I19-R22 PolarHBondContact O-N 2.73Å; I19-T23 WeakPolarHBondContact O-CG2 2.91Å; I19-T23 PolarHBondContact O-N 3.49Å; I19-T23 PolarHBondContact O-OG1 3.5Å
20	E	73.1	Confident	70	Confident	97 Å²	97	106 Å²	106	45%	0.453	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-38.8	176.9	-73.9	-166.9	-174.1	0	0	112.8	I16 I17 R22 T23 R24	I16-E20 PolarHBondContact O-N 2.99Å; I17-E20 PolarHBondContact O-N 2.8Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-R22 PolarHBondContact O-N 3.29Å; E20-T23 WeakPolarHBondContact CA-OG1 3.44Å; E20-T23 PolarHBondContact O-N 3.07Å; E20-T23 PolarHBondContact O-OG1 3.22Å; E20-R24 VanDerWaalsContact O-CG 3.3Å; E20-R24 WeakPolarHBondContact O-CG 3.37Å; E20-R24 PolarHBondContact O-N 2.93Å
21	A	68	Low	68.6	Low	52 Å²	52	107.1 Å²	107.1	43%	0.43	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-43.7	174.8	0	0	0	0	0	111	I17 I19 R24 T25	I17-A21 VanDerWaalsContact O-CB 3.31Å; I17-A21 WeakPolarHBondContact O-CB 3.16Å; I17-A21 PolarHBondContact O-N 3.01Å; I19-A21 VanDerWaalsContact C-N 3.35Å; I19-A21 PolarHBondContact O-N 3.04Å; A21-R24 PolarHBondContact O-N 3.38Å; A21-T25 WeakPolarHBondContact O-CG2 3.2Å; A21-T25 PolarHBondContact O-N 2.72Å
22	R	65	Low	66.7	Low	177 Å²	177	108.5 Å²	108.5	67%	0.668	53%	0.529	S	S	*	.	H	α-helix	trans	-70	-33.1	178.6	-77.6	-176.7	174.7	-178.2	-0	113.8	I18 I19 E20 T25 K26	I18-R22 WeakPolarHBondContact O-CB 3.42Å; I18-R22 WeakPolarHBondContact O-CG 2.99Å; I18-R22 PolarHBondContact O-N 3.44Å; I19-R22 PolarHBondContact O-N 2.73Å; E20-R22 VanDerWaalsContact C-N 3.33Å; E20-R22 PolarHBondContact O-N 3.29Å; R22-T25 WeakPolarHBondContact CA-OG1 3.4Å; R22-T25 PolarHBondContact O-OG1 2.98Å; R22-K26 WeakPolarHBondContact O-CG 3.48Å; R22-K26 PolarHBondContact O-N 3.19Å
23	T	62	Low	64.6	Low	73 Å²	73	102.5 Å²	102.5	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-70	-41.4	175	53	0	0	0	0	110.6	I19 E20 T25 K26 D27	I19-T23 WeakPolarHBondContact O-CG2 2.91Å; I19-T23 PolarHBondContact O-N 3.49Å; I19-T23 PolarHBondContact O-OG1 3.5Å; E20-T23 WeakPolarHBondContact CA-OG1 3.44Å; E20-T23 PolarHBondContact O-N 3.07Å; E20-T23 PolarHBondContact O-OG1 3.22Å; T23-T25 PolarHBondContact O-N 3.34Å; T23-K26 PolarHBondContact O-N 2.79Å; T23-D27 PolarHBondContact O-N 3.04Å; T23-D27 VanDerWaalsContact O-N 3.07Å
24	R	57.7	Low	62.6	Low	152 Å²	152	104.9 Å²	104.9	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-61.1	-44.7	174.2	-69.3	-179.6	-167	-144	7	112.2	E20 A21 K26 D27 Y28	E20-R24 VanDerWaalsContact O-CG 3.3Å; E20-R24 WeakPolarHBondContact O-CG 3.37Å; E20-R24 PolarHBondContact O-N 2.93Å; A21-R24 PolarHBondContact O-N 3.38Å; R24-K26 VanDerWaalsContact C-N 3.3Å; R24-K26 PolarHBondContact O-N 2.84Å; R24-D27 PolarHBondContact O-N 2.8Å; R24-D27 VanDerWaalsContact O-N 3.15Å; R24-Y28 HydrophobicContact CB-CE2 4.19Å; R24-Y28 WeakPolarHBondContact O-CD2 3.44Å; R24-Y28 PolarHBondContact O-N 2.89Å
25	T	55	Low	60.5	Low	76 Å²	76	108.3 Å²	108.3	47%	0.466	54%	0.539	S	S	.	.	H	α-helix	trans	-60.4	-38.8	176.3	57.3	0	0	0	0	112.7	A21 R22 T23 D27 Y28 D29	A21-T25 WeakPolarHBondContact O-CG2 3.2Å; A21-T25 PolarHBondContact O-N 2.72Å; R22-T25 WeakPolarHBondContact CA-OG1 3.4Å; R22-T25 PolarHBondContact O-OG1 2.98Å; T23-T25 PolarHBondContact O-N 3.34Å; T25-D27 VanDerWaalsContact C-N 3.32Å; T25-D27 PolarHBondContact O-N 2.94Å; T25-Y28 PolarHBondContact O-N 2.69Å; T25-D29 PolarHBondContact O-N 3.19Å
26	K	53	Low	58.4	Low	148 Å²	148	104.7 Å²	104.7	64%	0.643	52%	0.524	S	S	*	.	H	α-helix	trans	-66.4	-33.7	176.2	-75.6	-177.6	177.5	-173.3	0	112.8	R22 T23 R24 D29 K30	R22-K26 WeakPolarHBondContact O-CG 3.48Å; R22-K26 PolarHBondContact O-N 3.19Å; T23-K26 PolarHBondContact O-N 2.79Å; R24-K26 VanDerWaalsContact C-N 3.3Å; R24-K26 PolarHBondContact O-N 2.84Å; K26-D29 PolarHBondContact O-N 2.02Å; K26-K30 VanDerWaalsContact O-CB 3.3Å; K26-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 PolarHBondContact O-N 3.2Å
27	D	50.1	Low	56.6	Low	94 Å²	94	106.8 Å²	106.8	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-70.4	-36.2	174.3	-80.4	-19	0	0	0	111.9	T23 R24 T25 K30 N31	T23-D27 PolarHBondContact O-N 3.04Å; T23-D27 VanDerWaalsContact O-N 3.07Å; R24-D27 PolarHBondContact O-N 2.8Å; R24-D27 VanDerWaalsContact O-N 3.15Å; T25-D27 VanDerWaalsContact C-N 3.32Å; T25-D27 PolarHBondContact O-N 2.94Å; D27-K30 PolarHBondContact O-N 3.3Å; D27-N31 VanDerWaalsContact O-CB 3.31Å; D27-N31 WeakPolarHBondContact O-CB 3.1Å; D27-N31 PolarHBondContact O-N 3.26Å
28	Y	45.2	Very low	55	Low	144 Å²	144	107.7 Å²	107.7	57%	0.565	55%	0.55	S	S	*	.	H	α-helix	trans	-62.1	-45.7	170.1	-67.2	-68.8	0	0	0	111.1	R24 T25 K30 L32	R24-Y28 HydrophobicContact CB-CE2 4.19Å; R24-Y28 WeakPolarHBondContact O-CD2 3.44Å; R24-Y28 PolarHBondContact O-N 2.89Å; T25-Y28 PolarHBondContact O-N 2.69Å; Y28-K30 VanDerWaalsContact C-N 3.3Å; Y28-K30 PolarHBondContact O-N 3.24Å; Y28-L32 HydrophobicContact CD1-CD1 4.4Å; Y28-L32 VanDerWaalsContact O-CB 3.25Å; Y28-L32 WeakPolarHBondContact O-CB 3.24Å; Y28-L32 PolarHBondContact O-N 3.27Å
29	D	47.6	Very low	53.7	Low	87 Å²	87	106.4 Å²	106.4	47%	0.465	54%	0.54	S	S	.	.	H	α-helix	trans	-63.5	-34.2	177.3	-74.9	-22.2	0	0	0	112.8	T25 K26 G33	T25-D29 PolarHBondContact O-N 3.19Å; K26-D29 PolarHBondContact O-N 2.02Å; D29-G33 CarbonylContact O-C 3.59Å; D29-G33 WeakPolarHBondContact O-CA 2.93Å; D29-G33 PolarHBondContact O-N 3.45Å
30	K	51.4	Low	53.3	Low	172 Å²	172	110.2 Å²	110.2	75%	0.748	56%	0.56	S	S	*	*	H	α-helix	trans	-81.1	-39.7	-178.6	-168.9	179.4	177.6	-171.7	0	112.8	K26 D27 Y28	K26-K30 VanDerWaalsContact O-CB 3.3Å; K26-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 PolarHBondContact O-N 3.2Å; D27-K30 PolarHBondContact O-N 3.3Å; Y28-K30 VanDerWaalsContact C-N 3.3Å; Y28-K30 PolarHBondContact O-N 3.24Å
31	N	52.5	Low	53.3	Low	135 Å²	135	107.5 Å²	107.5	72%	0.722	55%	0.551	S	S	*	*	H	α-helix	trans	-79.6	-28.4	-179.7	-73.2	-13.8	0	0	0	112.7	D27	D27-N31 VanDerWaalsContact O-CB 3.31Å; D27-N31 WeakPolarHBondContact O-CB 3.1Å; D27-N31 PolarHBondContact O-N 3.26Å
32	L	44.6	Very low	53.6	Low	100 Å²	100	105.2 Å²	105.2	52%	0.524	53%	0.533	S	S	.	.	H	α-helix	trans	-105.3	-13.7	-178.8	-62.4	166.9	0	0	0	111.8	Y28 A36	Y28-L32 HydrophobicContact CD1-CD1 4.4Å; Y28-L32 VanDerWaalsContact O-CB 3.25Å; Y28-L32 WeakPolarHBondContact O-CB 3.24Å; Y28-L32 PolarHBondContact O-N 3.27Å; L32-A36 HydrophobicContact CB-CB 3.65Å; L32-A36 HydrophobicContact CD2-CB 4.48Å; L32-A36 WeakPolarHBondContact O-CB 3.5Å; L32-A36 PolarHBondContact O-N 3.01Å
33	G	43.5	Very low	54.2	Low	27 Å²	27	99.3 Å²	99.3	28%	0.278	51%	0.513	S	S	.	.	H	α-helix	trans	67.1	155.3	-178.6	0	0	0	0	0	112	D29 K35 A36	D29-G33 CarbonylContact O-C 3.59Å; D29-G33 WeakPolarHBondContact O-CA 2.93Å; D29-G33 PolarHBondContact O-N 3.45Å; G33-K35 PolarHBondContact O-N 3.07Å; G33-A36 PolarHBondContact O-N 3.22Å; G33-A36 VanDerWaalsContact O-N 3.07Å
34	V	45.3	Very low	55.1	Low	136 Å²	136	102 Å²	102	82%	0.824	52%	0.521	S	S	*	.	H	α-helix	trans	-57.9	-6.9	176.2	-154.7	0	0	0	0	112.9
35	K	41.2	Very low	56	Low	140 Å²	140	97 Å²	97	61%	0.609	52%	0.516	S	S	*	.	H	α-helix	trans	-96.6	-19.1	178.7	-76.5	-173	173.2	-174.7	0	115.3	G33 R39	G33-K35 PolarHBondContact O-N 3.07Å; K35-R39 VanDerWaalsContact O-CD 3.3Å; K35-R39 WeakPolarHBondContact O-CD 3.14Å; K35-R39 VanDerWaalsContact O-CG 3.23Å; K35-R39 WeakPolarHBondContact O-CG 3.34Å
36	A	43.9	Very low	57.1	Low	26 Å²	26	97 Å²	97	22%	0.215	51%	0.511	C	S	.	.	H	α-helix	trans	-85.1	-30.4	-177	0	0	0	0	0	113.9	L32 G33 T38	L32-A36 HydrophobicContact CB-CB 3.65Å; L32-A36 HydrophobicContact CD2-CB 4.48Å; L32-A36 WeakPolarHBondContact O-CB 3.5Å; L32-A36 PolarHBondContact O-N 3.01Å; G33-A36 PolarHBondContact O-N 3.22Å; G33-A36 VanDerWaalsContact O-N 3.07Å; A36-T38 PolarHBondContact O-N 3.09Å
37	V	47.9	Very low	58.1	Low	112 Å²	112	98.5 Å²	98.5	68%	0.679	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.8	-175.9	-176.5	0	0	0	0	112.2
38	T	48.6	Very low	59.2	Low	123 Å²	123	94.2 Å²	94.2	76%	0.755	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-5.5	-177.5	43.5	0	0	0	0	115.2	A36	A36-T38 PolarHBondContact O-N 3.09Å
39	R	54.6	Low	60.4	Low	58 Å²	58	94.2 Å²	94.2	22%	0.219	50%	0.504	C	S	.	.			trans	-105.6	129.9	-176.4	79.4	-178	-155.8	-151.8	10.4	112	K35 C41 M43 E46	K35-R39 VanDerWaalsContact O-CD 3.3Å; K35-R39 WeakPolarHBondContact O-CD 3.14Å; K35-R39 VanDerWaalsContact O-CG 3.23Å; K35-R39 WeakPolarHBondContact O-CG 3.34Å; R39-C41 WeakPolarHBondContact CD-O 3.47Å; R39-C41 VanDerWaalsContact CG-O 3.23Å; R39-C41 WeakPolarHBondContact CG-O 3.33Å; R39-C41 PolarHBondContact NE-O 3.45Å; R39-C41 PolarHBondContact O-N 2.89Å; R39-M43 VanDerWaalsContact CZ-CG 3.41Å; R39-M43 VanDerWaalsContact NH1-CG 3.35Å; R39-M43 PolarHBondContact NH1-SD 3.35Å; R39-M43 VanDerWaalsContact NH2-CB 3.26Å; R39-E46 IonicContact CZ-OE1 3.38Å; R39-E46 IonicContact CZ-OE2 3.58Å; R39-E46 IonicContact NE-OE2 3.87Å; R39-E46 IonicContact NH1-OE1 3.92Å; R39-E46 IonicContact NH2-OE1 2.59Å; R39-E46 PolarHBondContact NH2-OE1 3.41Å; R39-E46 IonicContact NH2-OE2 2.62Å; R39-E46 PolarHBondContact NH2-OE2 2.94Å
40	L	68.3	Low	61.3	Low	185 Å²	185	93.7 Å²	93.7	97%	0.969	50%	0.501	S	S	*	.	S	Bend	trans	-84.9	5.9	175.7	-72.1	160.2	0	0	0	112.5
41	C	73.3	Confident	62.2	Low	41 Å²	41	87.4 Å²	87.4	28%	0.277	48%	0.476	S	S	.	.	S	Bend	trans	-140.8	152.2	-170.1	64.4	0	0	0	0	112.1	R39 N53 C55	R39-C41 WeakPolarHBondContact CD-O 3.47Å; R39-C41 VanDerWaalsContact CG-O 3.23Å; R39-C41 WeakPolarHBondContact CG-O 3.33Å; R39-C41 PolarHBondContact NE-O 3.45Å; R39-C41 PolarHBondContact O-N 2.89Å; C41-N53 CarbonylContact C-O 3.48Å; C41-N53 WeakPolarHBondContact CA-O 3.49Å; C41-C55 HydrophobicContact CB-CB 3.87Å; C41-C55 WeakPolarHBondContact CB-SG 3.29Å; C41-C55 PolarHBondContact O-SG 2.78Å; C41-C55 VanDerWaalsContact O-SG 3.37Å; C41-C55 WeakPolarHBondContact SG-CA 3.39Å; C41-C55 WeakPolarHBondContact SG-CB 3.25Å; C41-C55 CovalentContact SG-SG 2.04Å; C41-C55 PolarHBondContact SG-SG 3.18Å
42	G	74.8	Confident	63	Low	4 Å²	4	88.7 Å²	88.7	4%	0.041	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-89.2	151.2	-176.5	0	0	0	0	0	113.9	E46 N53 C54 C55	G42-E46 WeakPolarHBondContact CA-OE2 3.17Å; G42-N53 PolarHBondContact N-O 2.96Å; G42-C54 CarbonylContact O-C 3.55Å; G42-C54 WeakPolarHBondContact O-CA 3.29Å; G42-C55 PolarHBondContact O-N 3.41Å; G42-C55 PolarHBondContact O-SG 2.97Å; G42-C55 VanDerWaalsContact O-SG 3.4Å
43	M	77.7	Confident	64.5	Low	52 Å²	52	87.4 Å²	87.4	26%	0.256	47%	0.469	S	S	.	.			trans	-118.6	176.7	177.5	-69.1	-179.6	46	0	0	110	R39 G45 E46 Y58 C66	R39-M43 VanDerWaalsContact CZ-CG 3.41Å; R39-M43 VanDerWaalsContact NH1-CG 3.35Å; R39-M43 PolarHBondContact NH1-SD 3.35Å; R39-M43 VanDerWaalsContact NH2-CB 3.26Å; M43-G45 PolarHBondContact O-N 3.48Å; M43-E46 WeakPolarHBondContact O-CB 3.35Å; M43-E46 PolarHBondContact O-N 3.4Å; M43-Y58 HydrophobicContact CB-CE1 4.4Å; M43-Y58 HydrophobicContact CB-CE2 4.2Å; M43-Y58 HydrophobicContact CG-CE2 3.92Å; M43-C66 VanDerWaalsContact O-CB 3.24Å; M43-C66 WeakPolarHBondContact O-CB 3.4Å
44	E	80.3	Confident	66.2	Low	131 Å²	131	86.5 Å²	86.5	61%	0.612	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.2	120.3	-179.6	-161.2	166.9	-161.6	0	0	114.2	Y58 C66	E44-Y58 HydrophobicContact CB-CD1 4.31Å; E44-Y58 HydrophobicContact CB-CE1 3.8Å; E44-Y58 VanDerWaalsContact N-CE1 3.27Å; E44-C66 CarbonylContact C-O 3.49Å; E44-C66 WeakPolarHBondContact CA-O 3.12Å
45	G	76.4	Confident	67.8	Low	45 Å²	45	81 Å²	81	46%	0.464	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-6	177.6	0	0	0	0	0	115.7	M43 C66	M43-G45 PolarHBondContact O-N 3.48Å; G45-C66 PolarHBondContact N-O 3.41Å
46	E	79	Confident	69.4	Low	77 Å²	77	83.4 Å²	83.4	36%	0.36	44%	0.439	S	S	.	.			trans	-80.1	145.1	174.9	-74	-169.7	-177	0	0	113	R39 G42 M43 C48 Q65 C66	R39-E46 IonicContact CZ-OE1 3.38Å; R39-E46 IonicContact CZ-OE2 3.58Å; R39-E46 IonicContact NE-OE2 3.87Å; R39-E46 IonicContact NH1-OE1 3.92Å; R39-E46 IonicContact NH2-OE1 2.59Å; R39-E46 PolarHBondContact NH2-OE1 3.41Å; R39-E46 IonicContact NH2-OE2 2.62Å; R39-E46 PolarHBondContact NH2-OE2 2.94Å; G42-E46 WeakPolarHBondContact CA-OE2 3.17Å; M43-E46 WeakPolarHBondContact O-CB 3.35Å; M43-E46 PolarHBondContact O-N 3.4Å; E46-C48 PolarHBondContact O-N 2.84Å; E46-Q65 CarbonylContact O-C 3.55Å; E46-Q65 VanDerWaalsContact O-CA 3.25Å; E46-Q65 WeakPolarHBondContact O-CA 3.05Å; E46-C66 PolarHBondContact O-N 3.05Å
47	E	74.1	Confident	70.9	Confident	180 Å²	180	88.5 Å²	88.5	84%	0.841	46%	0.459	S	S	*	.	B	Isolated β-bridge	trans	-62.4	127.1	177.4	-69.1	-175.8	176.2	0	0	111.2	L64	E47-L64 CarbonylContact C-O 3.47Å; E47-L64 VanDerWaalsContact CA-O 3.29Å; E47-L64 WeakPolarHBondContact CA-O 3.24Å
48	C	73.9	Confident	72.4	Confident	4 Å²	4	84.4 Å²	84.4	3%	0.027	43%	0.431	C	S	.	.			trans	-126.4	147.1	175.6	57.6	0	0	0	0	110.2	E46 N53 C54 C60 L64 Q65 C66	E46-C48 PolarHBondContact O-N 2.84Å; C48-N53 HydrophobicContact CB-CB 4.07Å; C48-C54 WeakPolarHBondContact CB-SG 3.07Å; C48-C60 VanDerWaalsContact C-SG 3.52Å; C48-C60 HydrophobicContact CB-CB 3.88Å; C48-C60 WeakPolarHBondContact CB-SG 3.28Å; C48-C60 PolarHBondContact O-SG 2.95Å; C48-C60 VanDerWaalsContact O-SG 3.37Å; C48-C60 WeakPolarHBondContact SG-CA 3.39Å; C48-C60 WeakPolarHBondContact SG-CB 3.41Å; C48-C60 CovalentContact SG-SG 2.03Å; C48-C60 PolarHBondContact SG-SG 2.95Å; C48-L64 PolarHBondContact N-O 3.46Å; C48-L64 WeakPolarHBondContact O-CB 3.17Å; C48-Q65 VanDerWaalsContact SG-CA 3.58Å; C48-Q65 PolarHBondContact SG-N 3.33Å; C48-Q65 VanDerWaalsContact SG-N 3.38Å; C48-C66 VanDerWaalsContact CB-SG 3.58Å; C48-C66 PolarHBondContact SG-N 2.86Å
49	M	69	Low	73.9	Confident	143 Å²	143	79.9 Å²	79.9	70%	0.704	40%	0.401	S	S	*	.	S	Bend	trans	-97.9	-25.7	170.1	-62.7	-171.1	-175.5	0	0	111.9
50	D	66.5	Low	74.9	Confident	76 Å²	76	78.3 Å²	78.3	41%	0.406	40%	0.399	S	S	.	.	S	Bend	trans	-157.4	165.7	-177.7	-159.9	-10	0	0	0	109.3	F52 N53	D50-F52 PolarHBondContact O-N 3.21Å; D50-N53 WeakPolarHBondContact O-CB 3.33Å; D50-N53 PolarHBondContact O-N 2.86Å
51	D	70.2	Confident	75.3	Confident	40 Å²	40	69.8 Å²	69.8	21%	0.214	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-56	-32.2	176	-74.7	-17.1	0	0	0	111.9	N53 C54 E59 C60 Y79	D51-N53 PolarHBondContact O-N 2.82Å; D51-C54 WeakPolarHBondContact O-CA 3.49Å; D51-C54 WeakPolarHBondContact O-CB 3.44Å; D51-C54 PolarHBondContact O-N 2.77Å; D51-E59 WeakPolarHBondContact OD1-CA 3.09Å; D51-C60 PolarHBondContact OD1-N 2.81Å; D51-Y79 PolarHBondContact OD2-OH 3.4Å
52	F	70.4	Confident	75.3	Confident	162 Å²	162	73.8 Å²	73.8	71%	0.711	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-63.3	-23.7	176.7	-68.1	-76.4	0	0	0	113.6	D50 C54	D50-F52 PolarHBondContact O-N 3.21Å; F52-C54 VanDerWaalsContact C-N 3.27Å
53	N	76.1	Confident	75.6	Confident	73 Å²	73	79.9 Å²	79.9	39%	0.39	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-77.3	-19	174.2	-68.7	57.7	0	0	0	111.4	C41 G42 C48 D50 D51	C41-N53 CarbonylContact C-O 3.48Å; C41-N53 WeakPolarHBondContact CA-O 3.49Å; G42-N53 PolarHBondContact N-O 2.96Å; C48-N53 HydrophobicContact CB-CB 4.07Å; D50-N53 WeakPolarHBondContact O-CB 3.33Å; D50-N53 PolarHBondContact O-N 2.86Å; D51-N53 PolarHBondContact O-N 2.82Å
54	C	78.2	Confident	75.5	Confident	8 Å²	8	82 Å²	82	5%	0.054	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-94.2	157.2	178.9	-59.3	0	0	0	0	111.1	G42 C48 D51 F52 C66	G42-C54 CarbonylContact O-C 3.55Å; G42-C54 WeakPolarHBondContact O-CA 3.29Å; C48-C54 WeakPolarHBondContact CB-SG 3.07Å; D51-C54 WeakPolarHBondContact O-CA 3.49Å; D51-C54 WeakPolarHBondContact O-CB 3.44Å; D51-C54 PolarHBondContact O-N 2.77Å; F52-C54 VanDerWaalsContact C-N 3.27Å; C54-C66 WeakPolarHBondContact CA-SG 3.43Å; C54-C66 HydrophobicContact CB-CB 3.93Å; C54-C66 WeakPolarHBondContact CB-SG 3.43Å; C54-C66 WeakPolarHBondContact SG-CA 3.43Å; C54-C66 WeakPolarHBondContact SG-CB 3.05Å; C54-C66 CovalentContact SG-SG 2.04Å; C54-C66 PolarHBondContact SG-SG 2.9Å
55	C	78.9	Confident	75.6	Confident	21 Å²	21	80.2 Å²	80.2	14%	0.142	42%	0.416	C	S	.	.			trans	-70.3	159.7	172.9	-56.8	0	0	0	0	109.9	C41 G42 E57 Y58	C41-C55 HydrophobicContact CB-CB 3.87Å; C41-C55 WeakPolarHBondContact CB-SG 3.29Å; C41-C55 PolarHBondContact O-SG 2.78Å; C41-C55 VanDerWaalsContact O-SG 3.37Å; C41-C55 WeakPolarHBondContact SG-CA 3.39Å; C41-C55 WeakPolarHBondContact SG-CB 3.25Å; C41-C55 CovalentContact SG-SG 2.04Å; C41-C55 PolarHBondContact SG-SG 3.18Å; G42-C55 PolarHBondContact O-N 3.41Å; G42-C55 PolarHBondContact O-SG 2.97Å; G42-C55 VanDerWaalsContact O-SG 3.4Å; C55-E57 PolarHBondContact O-N 3.43Å; C55-Y58 HydrophobicContact CB-CD2 3.88Å; C55-Y58 HydrophobicContact CB-CE2 4.35Å; C55-Y58 WeakPolarHBondContact O-CA 3.41Å; C55-Y58 PolarHBondContact O-N 3.2Å
56	E	74.9	Confident	75.7	Confident	190 Å²	190	78.2 Å²	78.2	89%	0.888	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.7	-173.2	-171	177.3	179	0	0	114.7	Y58	E56-Y58 VanDerWaalsContact C-N 3.31Å
57	E	75.4	Confident	75.9	Confident	134 Å²	134	77.7 Å²	77.7	63%	0.626	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.8	178	-60.9	171.1	179.3	0	0	114	C55 R69	C55-E57 PolarHBondContact O-N 3.43Å; E57-R69 WeakPolarHBondContact O-CB 3.48Å; E57-R69 PolarHBondContact O-N 3.16Å
58	Y	79.7	Confident	76.2	Confident	25 Å²	25	73.3 Å²	73.3	10%	0.098	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154.9	-174.1	-58.4	-92.8	0	0	0	110.6	M43 E44 C55 E56 Q67 L68	M43-Y58 HydrophobicContact CB-CE1 4.4Å; M43-Y58 HydrophobicContact CB-CE2 4.2Å; M43-Y58 HydrophobicContact CG-CE2 3.92Å; E44-Y58 HydrophobicContact CB-CD1 4.31Å; E44-Y58 HydrophobicContact CB-CE1 3.8Å; E44-Y58 VanDerWaalsContact N-CE1 3.27Å; C55-Y58 HydrophobicContact CB-CD2 3.88Å; C55-Y58 HydrophobicContact CB-CE2 4.35Å; C55-Y58 WeakPolarHBondContact O-CA 3.41Å; C55-Y58 PolarHBondContact O-N 3.2Å; E56-Y58 VanDerWaalsContact C-N 3.31Å; Y58-Q67 CarbonylContact C-O 3.44Å; Y58-Q67 WeakPolarHBondContact CA-O 3.42Å; Y58-Q67 WeakPolarHBondContact CB-O 3.44Å; Y58-L68 HydrophobicContact CD1-CG 4.3Å; Y58-L68 HydrophobicContact CE1-CB 4.49Å; Y58-L68 HydrophobicContact CE1-CD1 4.28Å; Y58-L68 HydrophobicContact CE1-CG 3.82Å
59	E	79.2	Confident	76.2	Confident	28 Å²	28	78.6 Å²	78.6	13%	0.131	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155.1	170.7	62.4	-176.7	-170.7	0	0	109.2	D51 S61 C66 Q67 R69	D51-E59 WeakPolarHBondContact OD1-CA 3.09Å; E59-S61 PolarHBondContact O-N 3.25Å; E59-C66 CarbonylContact O-C 3.48Å; E59-C66 WeakPolarHBondContact O-CA 2.98Å; E59-Q67 HydrophobicContact CG-CG 3.7Å; E59-Q67 PolarHBondContact N-O 3.07Å; E59-Q67 PolarHBondContact O-N 3.42Å; E59-Q67 PolarHBondContact OE1-NE2 3.29Å; E59-R69 HydrophobicContact CB-CG 4.22Å; E59-R69 HydrophobicContact CG-CG 4.42Å
60	C	75.6	Confident	76	Confident	25 Å²	25	76.3 Å²	76.3	17%	0.169	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.1	175.5	-165.3	0	0	0	0	109.8	C48 D51	C48-C60 VanDerWaalsContact C-SG 3.52Å; C48-C60 HydrophobicContact CB-CB 3.88Å; C48-C60 WeakPolarHBondContact CB-SG 3.28Å; C48-C60 PolarHBondContact O-SG 2.95Å; C48-C60 VanDerWaalsContact O-SG 3.37Å; C48-C60 WeakPolarHBondContact SG-CA 3.39Å; C48-C60 WeakPolarHBondContact SG-CB 3.41Å; C48-C60 CovalentContact SG-SG 2.03Å; C48-C60 PolarHBondContact SG-SG 2.95Å; D51-C60 PolarHBondContact OD1-N 2.81Å
61	S	76.8	Confident	75.4	Confident	7 Å²	7	77.4 Å²	77.4	5%	0.049	40%	0.404	C	S	.	.			trans	-67.3	159.7	177.2	81.2	0	0	0	0	110.9	E59 D63 L64 Q65 Q67	E59-S61 PolarHBondContact O-N 3.25Å; S61-D63 PolarHBondContact O-N 3.37Å; S61-D63 VanDerWaalsContact O-N 3.09Å; S61-D63 PolarHBondContact OG-N 3.15Å; S61-L64 PolarHBondContact O-N 3.49Å; S61-Q65 WeakPolarHBondContact CB-O 3.18Å; S61-Q65 PolarHBondContact N-O 2.75Å; S61-Q65 PolarHBondContact OG-N 3.1Å; S61-Q65 VanDerWaalsContact OG-N 3.16Å; S61-Q65 PolarHBondContact OG-O 3Å; S61-Q65 VanDerWaalsContact OG-O 3.07Å; S61-Q67 VanDerWaalsContact CB-OE1 3.29Å
62	P	75.1	Confident	74.4	Confident	124 Å²	124	87.1 Å²	87.1	81%	0.805	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.6	171.3	-22.4	33.2	0	0	0	113.7	L64	P62-L64 PolarHBondContact O-N 3.18Å
63	D	79.5	Confident	73	Confident	133 Å²	133	83.4 Å²	83.4	71%	0.711	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	12.2	176.8	-59.5	-46.4	0	0	0	112.7	S61 Q65	S61-D63 PolarHBondContact O-N 3.37Å; S61-D63 VanDerWaalsContact O-N 3.09Å; S61-D63 PolarHBondContact OG-N 3.15Å; D63-Q65 VanDerWaalsContact C-N 3.34Å; D63-Q65 PolarHBondContact O-N 2.94Å
64	L	77.3	Confident	71.1	Confident	97 Å²	97	88.8 Å²	88.8	51%	0.508	45%	0.445	S	S	.	.	S	Bend	trans	62.4	36.2	-179.5	-58.1	173.8	0	0	0	113.3	E47 C48 S61 P62	E47-L64 CarbonylContact C-O 3.47Å; E47-L64 VanDerWaalsContact CA-O 3.29Å; E47-L64 WeakPolarHBondContact CA-O 3.24Å; C48-L64 PolarHBondContact N-O 3.46Å; C48-L64 WeakPolarHBondContact O-CB 3.17Å; S61-L64 PolarHBondContact O-N 3.49Å; P62-L64 PolarHBondContact O-N 3.18Å
65	Q	80.8	Confident	69.3	Low	93 Å²	93	94.3 Å²	94.3	44%	0.435	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-126	135.7	176.9	-66.4	180	-5.5	0	0	111.5	E46 C48 S61 D63 Q67	E46-Q65 CarbonylContact O-C 3.55Å; E46-Q65 VanDerWaalsContact O-CA 3.25Å; E46-Q65 WeakPolarHBondContact O-CA 3.05Å; C48-Q65 VanDerWaalsContact SG-CA 3.58Å; C48-Q65 PolarHBondContact SG-N 3.33Å; C48-Q65 VanDerWaalsContact SG-N 3.38Å; S61-Q65 WeakPolarHBondContact CB-O 3.18Å; S61-Q65 PolarHBondContact N-O 2.75Å; S61-Q65 PolarHBondContact OG-N 3.1Å; S61-Q65 VanDerWaalsContact OG-N 3.16Å; S61-Q65 PolarHBondContact OG-O 3Å; S61-Q65 VanDerWaalsContact OG-O 3.07Å; D63-Q65 VanDerWaalsContact C-N 3.34Å; D63-Q65 PolarHBondContact O-N 2.94Å; Q65-Q67 PolarHBondContact O-N 3.22Å
66	C	78.2	Confident	67.2	Low	2 Å²	2	97.6 Å²	97.6	1%	0.014	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	129.4	172.4	-66.6	0	0	0	0	108.6	M43 E44 G45 E46 C48 C54 E59	M43-C66 VanDerWaalsContact O-CB 3.24Å; M43-C66 WeakPolarHBondContact O-CB 3.4Å; E44-C66 CarbonylContact C-O 3.49Å; E44-C66 WeakPolarHBondContact CA-O 3.12Å; G45-C66 PolarHBondContact N-O 3.41Å; E46-C66 PolarHBondContact O-N 3.05Å; C48-C66 VanDerWaalsContact CB-SG 3.58Å; C48-C66 PolarHBondContact SG-N 2.86Å; C54-C66 WeakPolarHBondContact CA-SG 3.43Å; C54-C66 HydrophobicContact CB-CB 3.93Å; C54-C66 WeakPolarHBondContact CB-SG 3.43Å; C54-C66 WeakPolarHBondContact SG-CA 3.43Å; C54-C66 WeakPolarHBondContact SG-CB 3.05Å; C54-C66 CovalentContact SG-SG 2.04Å; C54-C66 PolarHBondContact SG-SG 2.9Å; E59-C66 CarbonylContact O-C 3.48Å; E59-C66 WeakPolarHBondContact O-CA 2.98Å
67	Q	83.1	Confident	65.5	Low	67 Å²	67	90.1 Å²	90.1	31%	0.313	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.6	176.8	66.1	-179.6	16	0	0	109.4	Y58 E59 S61 Q65 R69	Y58-Q67 CarbonylContact C-O 3.44Å; Y58-Q67 WeakPolarHBondContact CA-O 3.42Å; Y58-Q67 WeakPolarHBondContact CB-O 3.44Å; E59-Q67 HydrophobicContact CG-CG 3.7Å; E59-Q67 PolarHBondContact N-O 3.07Å; E59-Q67 PolarHBondContact O-N 3.42Å; E59-Q67 PolarHBondContact OE1-NE2 3.29Å; S61-Q67 VanDerWaalsContact CB-OE1 3.29Å; Q65-Q67 PolarHBondContact O-N 3.22Å; Q67-R69 PolarHBondContact O-N 3.38Å
68	L	82	Confident	64	Low	88 Å²	88	86.5 Å²	86.5	46%	0.461	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	126.9	178.6	-112.4	141.4	0	0	0	109.8	Y58 N70	Y58-L68 HydrophobicContact CD1-CG 4.3Å; Y58-L68 HydrophobicContact CE1-CB 4.49Å; Y58-L68 HydrophobicContact CE1-CD1 4.28Å; Y58-L68 HydrophobicContact CE1-CG 3.82Å; L68-N70 PolarHBondContact O-N 2.89Å
69	R	72.4	Confident	62.4	Low	115 Å²	115	90.6 Å²	90.6	43%	0.434	48%	0.481	S	S	.	.			trans	-66.7	100.8	-177	-155.9	169.8	-152.8	-119.2	4.7	108.3	E57 E59 Q67 A71 Y79	E57-R69 WeakPolarHBondContact O-CB 3.48Å; E57-R69 PolarHBondContact O-N 3.16Å; E59-R69 HydrophobicContact CB-CG 4.22Å; E59-R69 HydrophobicContact CG-CG 4.42Å; Q67-R69 PolarHBondContact O-N 3.38Å; R69-A71 PolarHBondContact O-N 2.03Å; R69-Y79 PolarHBondContact NH2-OH 2.8Å
70	N	64.5	Low	61.1	Low	94 Å²	94	99.8 Å²	99.8	50%	0.503	51%	0.514	S	S	.	.			trans	-65.8	111.7	179.3	-84.1	-50	0	0	0	108.4	L68 R72 N73	L68-N70 PolarHBondContact O-N 2.89Å; N70-R72 PolarHBondContact O-N 3.37Å; N70-N73 CarbonylContact O-C 3.56Å; N70-N73 WeakPolarHBondContact O-CA 3.22Å; N70-N73 PolarHBondContact O-N 3.34Å
71	A	54.1	Low	60.3	Low	100 Å²	100	102.7 Å²	102.7	83%	0.826	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-55	-18.6	178.1	0	0	0	0	0	113.8	R69	R69-A71 PolarHBondContact O-N 2.03Å
72	R	49	Very low	59.7	Low	243 Å²	243	106.2 Å²	106.2	92%	0.917	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-72.1	-32.2	173	-72.4	-174.7	179.1	-177.1	0.7	113.2	N70 K74	N70-R72 PolarHBondContact O-N 3.37Å; R72-K74 VanDerWaalsContact C-N 3.26Å; R72-K74 PolarHBondContact O-N 3.33Å
73	N	42.4	Very low	59.2	Low	85 Å²	85	100.8 Å²	100.8	46%	0.455	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-97.7	57.8	173.5	-65.5	-10.7	0	0	0	108.5	N70 I75	N70-N73 CarbonylContact O-C 3.56Å; N70-N73 WeakPolarHBondContact O-CA 3.22Å; N70-N73 PolarHBondContact O-N 3.34Å; N73-I75 HydrophobicContact CB-CD1 4.48Å; N73-I75 HydrophobicContact CB-CG1 4.2Å; N73-I75 PolarHBondContact O-N 2.82Å
74	K	36.5	Very low	58.6	Low	185 Å²	185	99.5 Å²	99.5	80%	0.804	51%	0.508	S	S	*	.			trans	-63.3	67.7	144.2	-126.5	-175.3	-170.8	179.5	0	106.1	R72 A76	R72-K74 VanDerWaalsContact C-N 3.26Å; R72-K74 PolarHBondContact O-N 3.33Å; K74-A76 PolarHBondContact O-N 3.06Å
75	I	38.8	Very low	58	Low	124 Å²	124	96 Å²	96	64%	0.636	49%	0.493	S	S	*	.			trans	-64.9	90.5	157.3	-61.2	173.1	0	0	0	101.4	N73 G77	N73-I75 HydrophobicContact CB-CD1 4.48Å; N73-I75 HydrophobicContact CB-CG1 4.2Å; N73-I75 PolarHBondContact O-N 2.82Å; I75-G77 PolarHBondContact O-N 3.21Å
76	A	36.4	Very low	57.3	Low	91 Å²	91	95.9 Å²	95.9	75%	0.752	50%	0.495	S	S	*	.			trans	-63.3	45.9	158.6	0	0	0	0	0	108.8	K74 S78	K74-A76 PolarHBondContact O-N 3.06Å; A76-S78 PolarHBondContact O-N 2.8Å
77	G	39.6	Very low	56.7	Low	33 Å²	33	102 Å²	102	34%	0.34	52%	0.519	S	S	.	.			trans	-66.4	77.7	155	0	0	0	0	0	104.1	I75 Y79	I75-G77 PolarHBondContact O-N 3.21Å; G77-Y79 PolarHBondContact O-N 2.04Å
78	S	42.6	Very low	55.8	Low	57 Å²	57	102.5 Å²	102.5	40%	0.399	52%	0.524	S	S	.	.			trans	-41.9	116.2	175.8	-162	0	0	0	0	107.2	A76 R80 N81	A76-S78 PolarHBondContact O-N 2.8Å; S78-R80 PolarHBondContact O-N 2.96Å; S78-R80 WeakPolarHBondContact OG-CB 3.1Å; S78-R80 WeakPolarHBondContact OG-CD 3.23Å; S78-R80 VanDerWaalsContact OG-CG 3.24Å; S78-R80 WeakPolarHBondContact OG-CG 3.06Å; S78-N81 PolarHBondContact O-N 2.68Å
79	Y	47.1	Very low	55.4	Low	112 Å²	112	99.1 Å²	99.1	44%	0.439	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-50.8	-11.6	169.9	-66.9	-91.7	0	0	0	111.8	D51 R69 G77 N81 L82	D51-Y79 PolarHBondContact OD2-OH 3.4Å; R69-Y79 PolarHBondContact NH2-OH 2.8Å; G77-Y79 PolarHBondContact O-N 2.04Å; Y79-N81 PolarHBondContact O-N 2.04Å; Y79-L82 HydrophobicContact CD1-CD1 3.58Å; Y79-L82 HydrophobicContact CE1-CD1 4.26Å; Y79-L82 HydrophobicContact CG-CD1 4.31Å; Y79-L82 PolarHBondContact O-N 3.05Å
80	R	50.5	Low	55.5	Low	220 Å²	220	99.4 Å²	99.4	83%	0.83	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-58.4	-19.5	171	-65.4	-175.8	175.5	-177.1	-2.9	115.6	S78	S78-R80 PolarHBondContact O-N 2.96Å; S78-R80 WeakPolarHBondContact OG-CB 3.1Å; S78-R80 WeakPolarHBondContact OG-CD 3.23Å; S78-R80 VanDerWaalsContact OG-CG 3.24Å; S78-R80 WeakPolarHBondContact OG-CG 3.06Å
81	N	58.9	Low	55.8	Low	86 Å²	86	101.2 Å²	101.2	46%	0.46	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-111.8	1.5	-178.7	-68.5	-5	0	0	0	113.8	S78 Y79 R103 C104	S78-N81 PolarHBondContact O-N 2.68Å; Y79-N81 PolarHBondContact O-N 2.04Å; N81-R103 WeakPolarHBondContact O-CA 3.31Å; N81-C104 PolarHBondContact O-N 3.07Å
82	L	64.5	Low	56.5	Low	81 Å²	81	99.5 Å²	99.5	42%	0.424	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-75.9	139	173.8	-71.2	165.1	0	0	0	109.1	Y79 R102	Y79-L82 HydrophobicContact CD1-CD1 3.58Å; Y79-L82 HydrophobicContact CE1-CD1 4.26Å; Y79-L82 HydrophobicContact CG-CD1 4.31Å; Y79-L82 PolarHBondContact O-N 3.05Å; L82-R102 WeakPolarHBondContact CA-O 3.47Å
83	C	64.7	Low	57.9	Low	10 Å²	10	92.3 Å²	92.3	7%	0.068	50%	0.499	C	S	.	.			trans	-137.6	149.2	179.7	59.4	0	0	0	0	108.7	D88 C89 C95 R102	C83-D88 HydrophobicContact CB-CB 3.83Å; C83-C89 VanDerWaalsContact CB-SG 3.55Å; C83-C95 HydrophobicContact CB-CB 3.7Å; C83-C95 WeakPolarHBondContact CB-SG 3.46Å; C83-C95 PolarHBondContact O-SG 2.79Å; C83-C95 WeakPolarHBondContact SG-CA 3.3Å; C83-C95 WeakPolarHBondContact SG-CB 2.94Å; C83-C95 CovalentContact SG-SG 2.02Å; C83-C95 PolarHBondContact SG-SG 3.22Å; C83-R102 PolarHBondContact N-O 2.9Å; C83-R102 VanDerWaalsContact O-CB 3.24Å; C83-R102 WeakPolarHBondContact O-CB 3.43Å
84	V	67.6	Low	59.4	Low	107 Å²	107	89.2 Å²	89.2	65%	0.648	48%	0.484	S	S	*	.	S	Bend	trans	-96.7	-36	170.8	179.3	0	0	0	0	109.1	D88 R102	V84-D88 WeakPolarHBondContact CA-OD2 3.3Å; V84-D88 PolarHBondContact N-OD2 2.59Å; V84-R102 PolarHBondContact O-NH1 3.04Å
85	A	63.8	Low	61.2	Low	23 Å²	23	80.9 Å²	80.9	19%	0.19	45%	0.449	C	S	.	.	S	Bend	trans	-142.8	165.2	178.7	0	0	0	0	0	111.6	Y87 D88 C95	A85-Y87 HydrophobicContact CB-CD1 3.58Å; A85-Y87 HydrophobicContact CB-CE1 3.2Å; A85-Y87 HydrophobicContact CB-CE2 4.38Å; A85-Y87 HydrophobicContact CB-CG 4.33Å; A85-Y87 PolarHBondContact O-N 2.73Å; A85-D88 PolarHBondContact N-OD2 3.02Å; A85-D88 WeakPolarHBondContact O-CB 3.19Å; A85-D88 PolarHBondContact O-N 3.29Å; A85-C95 WeakPolarHBondContact O-CB 3.3Å
86	D	67.3	Low	62.7	Low	90 Å²	90	79.1 Å²	79.1	48%	0.481	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-55.6	-28	-175.9	-63.7	-16.4	0	0	0	113.5	D88 C89 C95	D86-D88 VanDerWaalsContact C-N 3.28Å; D86-D88 PolarHBondContact O-N 2.62Å; D86-C89 WeakPolarHBondContact O-CB 2.91Å; D86-C89 PolarHBondContact O-N 2.77Å; D86-C95 WeakPolarHBondContact OD1-CB 3.42Å; D86-C95 PolarHBondContact OD1-N 3.07Å
87	Y	64.1	Low	64.3	Low	130 Å²	130	76.8 Å²	76.8	51%	0.51	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-73.4	-15.6	179.5	62.9	-107.2	0	0	0	114.1	A85 C89	A85-Y87 HydrophobicContact CB-CD1 3.58Å; A85-Y87 HydrophobicContact CB-CE1 3.2Å; A85-Y87 HydrophobicContact CB-CE2 4.38Å; A85-Y87 HydrophobicContact CB-CG 4.33Å; A85-Y87 PolarHBondContact O-N 2.73Å; Y87-C89 PolarHBondContact O-N 3.37Å
88	D	65.8	Low	65.3	Low	79 Å²	79	83.8 Å²	83.8	42%	0.422	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-74.7	-10.7	173.2	-61.5	-46.6	0	0	0	111.3	C83 V84 A85 D86	C83-D88 HydrophobicContact CB-CB 3.83Å; V84-D88 WeakPolarHBondContact CA-OD2 3.3Å; V84-D88 PolarHBondContact N-OD2 2.59Å; A85-D88 PolarHBondContact N-OD2 3.02Å; A85-D88 WeakPolarHBondContact O-CB 3.19Å; A85-D88 PolarHBondContact O-N 3.29Å; D86-D88 VanDerWaalsContact C-N 3.28Å; D86-D88 PolarHBondContact O-N 2.62Å
89	C	73.6	Confident	65.7	Low	17 Å²	17	86.4 Å²	86.4	12%	0.115	45%	0.452	C	S	.	.	S	Bend	trans	-98.5	163.1	-177.4	-57.7	0	0	0	0	112.7	C83 D86 Y87 W93 C104	C83-C89 VanDerWaalsContact CB-SG 3.55Å; D86-C89 WeakPolarHBondContact O-CB 2.91Å; D86-C89 PolarHBondContact O-N 2.77Å; Y87-C89 PolarHBondContact O-N 3.37Å; C89-W93 HydrophobicContact CB-CB 3.8Å; C89-C104 WeakPolarHBondContact CA-SG 3.23Å; C89-C104 HydrophobicContact CB-CB 3.67Å; C89-C104 WeakPolarHBondContact CB-SG 3.31Å; C89-C104 WeakPolarHBondContact SG-CA 3.41Å; C89-C104 WeakPolarHBondContact SG-CB 3.45Å; C89-C104 CovalentContact SG-SG 2.03Å; C89-C104 PolarHBondContact SG-SG 3.47Å
90	L	73.5	Confident	65.7	Low	121 Å²	121	89.3 Å²	89.3	63%	0.634	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-59.4	151.4	172.3	-71.9	168.5	0	0	0	110.9	G92 W93	L90-G92 PolarHBondContact O-N 3.47Å; L90-W93 HydrophobicContact CB-CG 4.31Å; L90-W93 WeakPolarHBondContact O-CB 3.25Å; L90-W93 PolarHBondContact O-N 3.43Å
91	P	70.8	Confident	66.2	Low	131 Å²	131	81.9 Å²	81.9	85%	0.851	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	125.3	176.3	-25.2	33.5	0	0	0	111.8
92	G	69.4	Low	66.4	Low	65 Å²	65	81.5 Å²	81.5	67%	0.67	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	0.4	-177.9	0	0	0	0	0	115.5	L90	L90-G92 PolarHBondContact O-N 3.47Å
93	W	77.5	Confident	67	Low	92 Å²	92	84.3 Å²	84.3	35%	0.348	45%	0.446	S	S	.	.			trans	-103.7	150.3	172.3	-67.5	52	0	0	0	109.9	C89 L90 C104 T105 Q106	C89-W93 HydrophobicContact CB-CB 3.8Å; L90-W93 HydrophobicContact CB-CG 4.31Å; L90-W93 WeakPolarHBondContact O-CB 3.25Å; L90-W93 PolarHBondContact O-N 3.43Å; W93-C104 HydrophobicContact CE3-CB 3.79Å; W93-C104 HydrophobicContact CZ3-CB 4.48Å; W93-C104 WeakPolarHBondContact CZ3-O 3.2Å; W93-T105 CarbonylContact C-O 3.49Å; W93-T105 VanDerWaalsContact CA-O 3.26Å; W93-T105 WeakPolarHBondContact CA-O 3.5Å; W93-T105 WeakPolarHBondContact CB-O 3.39Å; W93-Q106 HydrophobicContact CD2-CB 4.41Å
94	C	74.6	Confident	67.6	Low	20 Å²	20	84.7 Å²	84.7	14%	0.135	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.1	176.6	-60.3	0	0	0	0	111.3	E96 C104 T105 C108	C94-E96 PolarHBondContact O-N 2.92Å; C94-C104 CarbonylContact O-C 3.59Å; C94-C104 WeakPolarHBondContact O-CA 3.1Å; C94-T105 PolarHBondContact N-O 3.37Å; C94-T105 PolarHBondContact O-N 3.42Å; C94-T105 PolarHBondContact O-OG1 3.05Å; C94-C108 HydrophobicContact CB-CB 3.84Å; C94-C108 WeakPolarHBondContact CB-SG 3.23Å; C94-C108 PolarHBondContact N-SG 3.25Å; C94-C108 WeakPolarHBondContact SG-CB 3.49Å; C94-C108 CovalentContact SG-SG 2.01Å; C94-C108 PolarHBondContact SG-SG 3.5Å
95	C	74.2	Confident	68.2	Low	10 Å²	10	81.5 Å²	81.5	7%	0.068	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	89.7	178.2	-173.6	0	0	0	0	110.1	C83 A85 D86 R102	C83-C95 HydrophobicContact CB-CB 3.7Å; C83-C95 WeakPolarHBondContact CB-SG 3.46Å; C83-C95 PolarHBondContact O-SG 2.79Å; C83-C95 WeakPolarHBondContact SG-CA 3.3Å; C83-C95 WeakPolarHBondContact SG-CB 2.94Å; C83-C95 CovalentContact SG-SG 2.02Å; C83-C95 PolarHBondContact SG-SG 3.22Å; A85-C95 WeakPolarHBondContact O-CB 3.3Å; D86-C95 WeakPolarHBondContact OD1-CB 3.42Å; D86-C95 PolarHBondContact OD1-N 3.07Å; C95-R102 VanDerWaalsContact SG-CB 3.5Å
96	E	71.6	Confident	68.8	Low	87 Å²	87	87 Å²	87	41%	0.407	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.7	-174.5	-158.5	177.6	-153.4	0	0	111.5	C94 R102 R103 T105	C94-E96 PolarHBondContact O-N 2.92Å; E96-R102 WeakPolarHBondContact O-CA 3.43Å; E96-R103 PolarHBondContact N-O 3.15Å; E96-R103 PolarHBondContact O-N 3.28Å; E96-T105 HydrophobicContact CB-CG2 4.24Å
97	G	68.4	Low	69	Low	42 Å²	42	89.1 Å²	89.1	43%	0.433	46%	0.463	S	S	.	.	S	Bend	trans	142.4	177.7	179.1	0	0	0	0	0	112.3	R102	G97-R102 PolarHBondContact O-NE 2.97Å
98	K	61.4	Low	69.2	Low	179 Å²	179	85 Å²	85	78%	0.778	45%	0.453	S	S	*	.	S	Bend	trans	-68.5	149.8	171.7	-66.4	-178	179.7	179.3	0	109	Y100 A101 R102	K98-Y100 PolarHBondContact O-N 2.89Å; K98-A101 CarbonylContact O-C 3.46Å; K98-A101 PolarHBondContact O-N 3.38Å; K98-R102 WeakPolarHBondContact O-CG 3.46Å; K98-R102 PolarHBondContact O-N 3.37Å
99	L	51	Low	69.1	Low	112 Å²	112	87.6 Å²	87.6	59%	0.586	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38	-26	-174.5	-81.7	148.9	0	0	0	116.7
100	Y	47.6	Very low	68.2	Low	174 Å²	174	97 Å²	97	68%	0.682	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	1.9	-174.5	-50.4	-74.5	0	0	0	114.6	K98	K98-Y100 PolarHBondContact O-N 2.89Å
101	A	59.6	Low	67.2	Low	63 Å²	63	100.4 Å²	100.4	52%	0.521	51%	0.509	S	S	.	.	S	Bend	trans	-139.8	43.6	178.4	0	0	0	0	0	110	K98	K98-A101 CarbonylContact O-C 3.46Å; K98-A101 PolarHBondContact O-N 3.38Å
102	R	64.1	Low	65.9	Low	79 Å²	79	100.4 Å²	100.4	30%	0.298	51%	0.507	S	S	.	.			trans	-83.9	136.6	-179.3	-61.8	-171.5	153.1	-178.4	-10.3	110.3	L82 C83 V84 C95 E96 G97 K98	L82-R102 WeakPolarHBondContact CA-O 3.47Å; C83-R102 PolarHBondContact N-O 2.9Å; C83-R102 VanDerWaalsContact O-CB 3.24Å; C83-R102 WeakPolarHBondContact O-CB 3.43Å; V84-R102 PolarHBondContact O-NH1 3.04Å; C95-R102 VanDerWaalsContact SG-CB 3.5Å; E96-R102 WeakPolarHBondContact O-CA 3.43Å; G97-R102 PolarHBondContact O-NE 2.97Å; K98-R102 WeakPolarHBondContact O-CG 3.46Å; K98-R102 PolarHBondContact O-N 3.37Å
103	R	77.4	Confident	65	Low	140 Å²	140	104.3 Å²	104.3	53%	0.528	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.3	178.2	-66.3	-179.3	-179.1	171	1.2	110.6	N81 E96 T105	N81-R103 WeakPolarHBondContact O-CA 3.31Å; E96-R103 PolarHBondContact N-O 3.15Å; E96-R103 PolarHBondContact O-N 3.28Å; R103-T105 PolarHBondContact O-N 2.95Å
104	C	77.3	Confident	63.4	Low	18 Å²	18	104.1 Å²	104.1	12%	0.122	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	122.6	168.8	-60.7	0	0	0	0	109.2	N81 C89 W93 C94	N81-C104 PolarHBondContact O-N 3.07Å; C89-C104 WeakPolarHBondContact CA-SG 3.23Å; C89-C104 HydrophobicContact CB-CB 3.67Å; C89-C104 WeakPolarHBondContact CB-SG 3.31Å; C89-C104 WeakPolarHBondContact SG-CA 3.41Å; C89-C104 WeakPolarHBondContact SG-CB 3.45Å; C89-C104 CovalentContact SG-SG 2.03Å; C89-C104 PolarHBondContact SG-SG 3.47Å; W93-C104 HydrophobicContact CE3-CB 3.79Å; W93-C104 HydrophobicContact CZ3-CB 4.48Å; W93-C104 WeakPolarHBondContact CZ3-O 3.2Å; C94-C104 CarbonylContact O-C 3.59Å; C94-C104 WeakPolarHBondContact O-CA 3.1Å
105	T	78.3	Confident	62.3	Low	40 Å²	40	111.4 Å²	111.4	25%	0.245	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.7	147.8	177.5	62.3	0	0	0	0	109.4	W93 C94 E96 R103	W93-T105 CarbonylContact C-O 3.49Å; W93-T105 VanDerWaalsContact CA-O 3.26Å; W93-T105 WeakPolarHBondContact CA-O 3.5Å; W93-T105 WeakPolarHBondContact CB-O 3.39Å; C94-T105 PolarHBondContact N-O 3.37Å; C94-T105 PolarHBondContact O-N 3.42Å; C94-T105 PolarHBondContact O-OG1 3.05Å; E96-T105 HydrophobicContact CB-CG2 4.24Å; R103-T105 PolarHBondContact O-N 2.95Å
106	Q	76.8	Confident	61.1	Low	138 Å²	138	116.5 Å²	116.5	65%	0.645	59%	0.587	S	S	*	*	S	Bend	trans	-81.6	-26.2	176	-165.7	173.1	6.8	0	0	111.7	W93 C108	W93-Q106 HydrophobicContact CD2-CB 4.41Å; Q106-C108 VanDerWaalsContact C-N 3.3Å; Q106-C108 PolarHBondContact O-N 3.46Å
107	D	72.8	Confident	60.2	Low	135 Å²	135	114.3 Å²	114.3	72%	0.722	58%	0.579	S	S	*	*			trans	-82.7	71.2	-179.8	-67.8	-39.3	0	0	0	111.4	N109	D107-N109 PolarHBondContact O-N 3.22Å
108	C	68	Low	59.2	Low	44 Å²	44	116.5 Å²	116.5	30%	0.297	59%	0.585	S	S	.	*			trans	-67.7	101.2	174.3	-61.1	0	0	0	0	111.2	C94 Q106 R110	C94-C108 HydrophobicContact CB-CB 3.84Å; C94-C108 WeakPolarHBondContact CB-SG 3.23Å; C94-C108 PolarHBondContact N-SG 3.25Å; C94-C108 WeakPolarHBondContact SG-CB 3.49Å; C94-C108 CovalentContact SG-SG 2.01Å; C94-C108 PolarHBondContact SG-SG 3.5Å; Q106-C108 VanDerWaalsContact C-N 3.3Å; Q106-C108 PolarHBondContact O-N 3.46Å; C108-R110 PolarHBondContact O-N 2.97Å
109	N	62.9	Low	58.7	Low	133 Å²	133	112.8 Å²	112.8	71%	0.711	59%	0.588	S	S	*	*			trans	-71.1	69.1	157.6	-75.5	-49.9	0	0	0	108.9	D107 K111	D107-N109 PolarHBondContact O-N 3.22Å; N109-K111 VanDerWaalsContact C-N 3.28Å; N109-K111 PolarHBondContact O-N 3.02Å
110	R	55.3	Low	58.8	Low	213 Å²	213	111.2 Å²	111.2	80%	0.804	60%	0.599	S	S	*	*			trans	-64.1	89.6	-179.1	-156.7	-178.2	-155.2	-177.6	5	108	C108 T112	C108-R110 PolarHBondContact O-N 2.97Å; R110-T112 PolarHBondContact O-N 2.91Å
111	K	51.9	Low	59.2	Low	194 Å²	194	105 Å²	105	84%	0.843	58%	0.582	S	S	*	*			trans	-63.6	109.5	157.2	-70	-173	-179.7	-178.8	0	104.3	N109 E113	N109-K111 VanDerWaalsContact C-N 3.28Å; N109-K111 PolarHBondContact O-N 3.02Å; K111-E113 VanDerWaalsContact C-N 3.32Å; K111-E113 PolarHBondContact O-N 3.35Å
112	T	43.7	Very low	58.9	Low	130 Å²	130	106.1 Å²	106.1	80%	0.798	57%	0.573	S	S	*	*			trans	-52.1	98.8	175.7	-33.1	0	0	0	0	107.7	R110	R110-T112 PolarHBondContact O-N 2.91Å
113	E	49.8	Very low	58.6	Low	147 Å²	147	111.9 Å²	111.9	69%	0.687	60%	0.596	S	S	*	*			trans	-68.3	132.5	169.4	-158.7	157.5	-168.4	0	0	105.9	K111 D115	K111-E113 VanDerWaalsContact C-N 3.32Å; K111-E113 PolarHBondContact O-N 3.35Å; E113-D115 PolarHBondContact O-N 3.49Å
114	P	45.1	Very low	57.8	Low	88 Å²	88	107.4 Å²	107.4	57%	0.571	59%	0.593	S	S	*	*			trans	-62.6	126.2	-171.9	21.8	-31.1	0	0	0	110.4	V116	P114-V116 PolarHBondContact O-N 2.99Å
115	D	51.3	Low	56.9	Low	173 Å²	173	115 Å²	115	93%	0.925	62%	0.62	S	S	*	*	S	Bend	trans	-54.6	-16.6	177.1	-92.2	-28.4	0	0	0	113.4	E113	E113-D115 PolarHBondContact O-N 3.49Å
116	V	47.9	Very low	56	Low	118 Å²	118	117.1 Å²	117.1	72%	0.715	63%	0.626	S	S	*	*			trans	-125.6	96	-179.8	-171.7	0	0	0	0	109.2	P114	P114-V116 PolarHBondContact O-N 2.99Å
117	V	52.5	Low	55.6	Low	40 Å²	40	115.3 Å²	115.3	24%	0.242	62%	0.617	C	S	.	*			trans	-85.5	116	165.8	-178.6	0	0	0	0	107.6	A119 S121 Y122	V117-A119 PolarHBondContact O-N 3.02Å; V117-S121 WeakPolarHBondContact CG1-OG 3.45Å; V117-Y122 HydrophobicContact CB-CE1 3.69Å; V117-Y122 HydrophobicContact CG1-CD1 3.91Å; V117-Y122 HydrophobicContact CG1-CE1 3.41Å; V117-Y122 VanDerWaalsContact CG1-CE1 3.41Å; V117-Y122 HydrophobicContact CG2-CE1 4.42Å; V117-Y122 PolarHBondContact O-OH 3.44Å
118	P	48.4	Very low	55.2	Low	88 Å²	88	116.2 Å²	116.2	57%	0.571	61%	0.61	S	S	*	*			trans	-60.1	133.8	-176.9	21.1	-30.2	0	0	0	110.8	G120 S121	P118-G120 PolarHBondContact O-N 3.21Å; P118-S121 PolarHBondContact O-N 3.46Å; P118-S121 VanDerWaalsContact O-N 3.1Å; P118-S121 PolarHBondContact O-OG 2.88Å
119	A	50.7	Low	55.1	Low	101 Å²	101	118.5 Å²	118.5	84%	0.835	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	122.1	179.2	0	0	0	0	0	110	V117	V117-A119 PolarHBondContact O-N 3.02Å
120	G	53.1	Low	55.2	Low	80 Å²	80	116 Å²	116	83%	0.825	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	108.8	-10.1	-176.5	0	0	0	0	0	115.4	P118	P118-G120 PolarHBondContact O-N 3.21Å
121	S	55.5	Low	55.8	Low	44 Å²	44	110.5 Å²	110.5	31%	0.308	59%	0.585	S	S	.	*			trans	-90.6	-3.5	176.2	60.1	0	0	0	0	114.6	V117 P118 Y123	V117-S121 WeakPolarHBondContact CG1-OG 3.45Å; P118-S121 PolarHBondContact O-N 3.46Å; P118-S121 VanDerWaalsContact O-N 3.1Å; P118-S121 PolarHBondContact O-OG 2.88Å; S121-Y123 PolarHBondContact O-N 3.46Å
122	Y	54.2	Low	56.6	Low	86 Å²	86	103 Å²	103	34%	0.337	56%	0.559	S	S	.	*			trans	-71.4	101.7	-179.2	-55.5	-73.4	0	0	0	111.3	V117 G124 Q126 L130	V117-Y122 HydrophobicContact CB-CE1 3.69Å; V117-Y122 HydrophobicContact CG1-CD1 3.91Å; V117-Y122 HydrophobicContact CG1-CE1 3.41Å; V117-Y122 VanDerWaalsContact CG1-CE1 3.41Å; V117-Y122 HydrophobicContact CG2-CE1 4.42Å; V117-Y122 PolarHBondContact O-OH 3.44Å; Y122-G124 PolarHBondContact O-N 2.9Å; Y122-Q126 HydrophobicContact CD1-CB 4.47Å; Y122-L130 HydrophobicContact CD1-CD1 3.67Å; Y122-L130 HydrophobicContact CE1-CD1 3.15Å
123	Y	57.1	Low	57.5	Low	199 Å²	199	100.7 Å²	100.7	78%	0.78	54%	0.539	S	S	*	.			trans	-74.8	113.8	165.2	-68.8	-79.8	0	0	0	108.9	S121 R125 Q126	S121-Y123 PolarHBondContact O-N 3.46Å; Y123-R125 VanDerWaalsContact C-N 3.34Å; Y123-R125 PolarHBondContact O-N 3.19Å; Y123-Q126 PolarHBondContact O-N 2.98Å
124	G	60.9	Low	58.3	Low	46 Å²	46	100.4 Å²	100.4	47%	0.474	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	27.6	-79.6	168.2	0	0	0	0	0	116.7	Y122 Q126 F127 W128	Y122-G124 PolarHBondContact O-N 2.9Å; G124-Q126 PolarHBondContact O-N 3.02Å; G124-F127 WeakPolarHBondContact O-CB 3.38Å; G124-F127 PolarHBondContact O-N 3.06Å; G124-W128 PolarHBondContact O-N 3.41Å
125	R	59.4	Low	59.2	Low	179 Å²	179	102.9 Å²	102.9	68%	0.675	53%	0.533	S	S	*	.	H	α-helix	trans	-59.6	-38.1	-178.3	-166.1	179.5	-67.7	-123.2	2	114	Y123 W128 N129	Y123-R125 VanDerWaalsContact C-N 3.34Å; Y123-R125 PolarHBondContact O-N 3.19Å; R125-W128 PolarHBondContact O-N 2.93Å; R125-N129 VanDerWaalsContact O-CG 3.31Å; R125-N129 PolarHBondContact O-N 3.4Å; R125-N129 PolarHBondContact O-OD1 3.34Å
126	Q	59.6	Low	59.3	Low	83 Å²	83	100.1 Å²	100.1	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-40.4	176.2	-77.6	177.6	-30.9	0	0	111.7	Y122 Y123 G124 N129 L130	Y122-Q126 HydrophobicContact CD1-CB 4.47Å; Y123-Q126 PolarHBondContact O-N 2.98Å; G124-Q126 PolarHBondContact O-N 3.02Å; Q126-N129 PolarHBondContact O-N 3.37Å; Q126-L130 WeakPolarHBondContact O-CG 3.48Å; Q126-L130 PolarHBondContact O-N 3.22Å
127	F	68.2	Low	59.7	Low	100 Å²	100	99.4 Å²	99.4	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-60.5	-47.8	173.8	173.6	-95.2	0	0	0	110.9	G124 N129 L130 W131	G124-F127 WeakPolarHBondContact O-CB 3.38Å; G124-F127 PolarHBondContact O-N 3.06Å; F127-N129 VanDerWaalsContact C-N 3.33Å; F127-N129 PolarHBondContact O-N 3.39Å; F127-L130 PolarHBondContact O-N 3.38Å; F127-W131 HydrophobicContact CE1-CB 4.35Å; F127-W131 HydrophobicContact CE1-CG 4.5Å; F127-W131 HydrophobicContact CZ-CB 4.46Å; F127-W131 WeakPolarHBondContact O-CB 3.33Å; F127-W131 PolarHBondContact O-N 3.3Å
128	W	64.5	Low	59.9	Low	155 Å²	155	102 Å²	102	59%	0.587	52%	0.517	S	S	*	.	H	α-helix	trans	-60.7	-41.2	179.4	-75.1	114.5	0	0	0	112.6	G124 R125 W131 A132	G124-W128 PolarHBondContact O-N 3.41Å; R125-W128 PolarHBondContact O-N 2.93Å; W128-W131 AromaticContact CE3-CE3 3.94Å; W128-W131 HydrophobicContact CE3-CE3 3.94Å; W128-W131 HydrophobicContact CE3-CZ3 4.08Å; W128-W131 HydrophobicContact CZ3-CE3 4Å; W128-W131 HydrophobicContact CZ3-CH2 4.25Å; W128-W131 AromaticContact CZ3-CZ3 3.76Å; W128-W131 HydrophobicContact CZ3-CZ3 3.76Å; W128-A132 VanDerWaalsContact O-CB 3.29Å; W128-A132 WeakPolarHBondContact O-CB 3.48Å; W128-A132 PolarHBondContact O-N 2.95Å
129	N	66	Low	60.1	Low	91 Å²	91	106.5 Å²	106.5	49%	0.487	52%	0.523	S	S	.	.	H	α-helix	trans	-64.1	-47.3	177.4	-71.3	-4.4	0	0	0	112	R125 Q126 F127 A132 H133	R125-N129 VanDerWaalsContact O-CG 3.31Å; R125-N129 PolarHBondContact O-N 3.4Å; R125-N129 PolarHBondContact O-OD1 3.34Å; Q126-N129 PolarHBondContact O-N 3.37Å; F127-N129 VanDerWaalsContact C-N 3.33Å; F127-N129 PolarHBondContact O-N 3.39Å; N129-A132 PolarHBondContact O-N 3Å; N129-H133 WeakPolarHBondContact O-CB 3.49Å; N129-H133 PolarHBondContact O-N 3.4Å
130	L	64.6	Low	60.1	Low	81 Å²	81	107.5 Å²	107.5	42%	0.424	51%	0.514	S	S	.	.	H	α-helix	trans	-68.8	-36.8	179.2	-72.1	167.4	0	0	0	112.6	Y122 Q126 F127 H133 K134	Y122-L130 HydrophobicContact CD1-CD1 3.67Å; Y122-L130 HydrophobicContact CE1-CD1 3.15Å; Q126-L130 WeakPolarHBondContact O-CG 3.48Å; Q126-L130 PolarHBondContact O-N 3.22Å; F127-L130 PolarHBondContact O-N 3.38Å; L130-H133 PolarHBondContact O-N 3.44Å; L130-K134 PolarHBondContact O-N 3Å
131	W	68.5	Low	59.8	Low	98 Å²	98	111.2 Å²	111.2	37%	0.371	51%	0.51	S	S	.	.	H	α-helix	trans	-67.2	-42	176.3	179.7	86.5	0	0	0	112.1	F127 W128 R135	F127-W131 HydrophobicContact CE1-CB 4.35Å; F127-W131 HydrophobicContact CE1-CG 4.5Å; F127-W131 HydrophobicContact CZ-CB 4.46Å; F127-W131 WeakPolarHBondContact O-CB 3.33Å; F127-W131 PolarHBondContact O-N 3.3Å; W128-W131 AromaticContact CE3-CE3 3.94Å; W128-W131 HydrophobicContact CE3-CE3 3.94Å; W128-W131 HydrophobicContact CE3-CZ3 4.08Å; W128-W131 HydrophobicContact CZ3-CE3 4Å; W128-W131 HydrophobicContact CZ3-CH2 4.25Å; W128-W131 AromaticContact CZ3-CZ3 3.76Å; W128-W131 HydrophobicContact CZ3-CZ3 3.76Å; W131-R135 PolarHBondContact O-N 3.42Å
132	A	68.4	Low	59	Low	35 Å²	35	122.2 Å²	122.2	29%	0.289	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-43.1	173.3	0	0	0	0	0	111.4	W128 N129 R135 H136	W128-A132 VanDerWaalsContact O-CB 3.29Å; W128-A132 WeakPolarHBondContact O-CB 3.48Å; W128-A132 PolarHBondContact O-N 2.95Å; N129-A132 PolarHBondContact O-N 3Å; A132-R135 PolarHBondContact O-N 2.96Å; A132-H136 PolarHBondContact O-N 3.45Å
133	H	61.1	Low	59.3	Low	83 Å²	83	124.1 Å²	124.1	38%	0.384	56%	0.557	S	S	.	*	H	α-helix	trans	-58.8	-48.6	176.6	-174.2	72.4	0	0	0	112.2	N129 L130 R135 H136 M137	N129-H133 WeakPolarHBondContact O-CB 3.49Å; N129-H133 PolarHBondContact O-N 3.4Å; L130-H133 PolarHBondContact O-N 3.44Å; H133-R135 PolarHBondContact O-N 3.27Å; H133-H136 PolarHBondContact O-N 3Å; H133-M137 PolarHBondContact O-N 2.97Å
134	K	68.1	Low	59.4	Low	141 Å²	141	120.1 Å²	120.1	61%	0.613	55%	0.545	S	S	*	.	H	α-helix	trans	-60.6	-44.7	179.3	-172.6	174.6	179.7	174.3	0	112.6	L130 H136 M137 D138	L130-K134 PolarHBondContact O-N 3Å; K134-H136 VanDerWaalsContact C-N 3.26Å; K134-H136 PolarHBondContact O-N 3.44Å; K134-M137 PolarHBondContact O-N 3.34Å; K134-D138 PolarHBondContact O-N 3.38Å
135	R	63.1	Low	59.3	Low	140 Å²	140	124.2 Å²	124.2	53%	0.528	55%	0.549	S	S	.	.	H	α-helix	trans	-64.3	-29.4	179.9	-71.1	-157.4	-62.7	158.6	6.2	113.4	W131 A132 H133 R139	W131-R135 PolarHBondContact O-N 3.42Å; A132-R135 PolarHBondContact O-N 2.96Å; H133-R135 PolarHBondContact O-N 3.27Å; R135-R139 WeakPolarHBondContact O-CB 3.36Å; R135-R139 PolarHBondContact O-N 3.5Å
136	H	53.5	Low	59.3	Low	114 Å²	114	121 Å²	121	53%	0.528	54%	0.542	S	S	.	.	H	α-helix	trans	-73.4	-39	174.4	-104.9	-82.2	0	0	0	112.5	A132 H133 K134 R139 N140	A132-H136 PolarHBondContact O-N 3.45Å; H133-H136 PolarHBondContact O-N 3Å; K134-H136 VanDerWaalsContact C-N 3.26Å; K134-H136 PolarHBondContact O-N 3.44Å; H136-R139 PolarHBondContact O-N 3.02Å; H136-N140 PolarHBondContact O-N 3.43Å; H136-N140 VanDerWaalsContact O-N 3.07Å
137	M	55.5	Low	59.3	Low	103 Å²	103	123.4 Å²	123.4	51%	0.507	55%	0.551	S	S	.	*	H	α-helix	trans	-62.5	-42.1	173.6	-70.3	-66.3	-146.6	0	0	111.9	H133 K134 R139 N140 H141	H133-M137 PolarHBondContact O-N 2.97Å; K134-M137 PolarHBondContact O-N 3.34Å; M137-R139 VanDerWaalsContact C-N 3.34Å; M137-N140 PolarHBondContact O-N 3.41Å; M137-H141 PolarHBondContact O-ND1 3.49Å
138	D	58.6	Low	58.7	Low	94 Å²	94	124.9 Å²	124.9	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-65.4	-37.5	175.8	-69.7	-19	0	0	0	111.4	K134 H141	K134-D138 PolarHBondContact O-N 3.38Å; D138-H141 PolarHBondContact O-N 3.47Å
139	R	51.7	Low	58.3	Low	183 Å²	183	122.8 Å²	122.8	69%	0.691	56%	0.557	S	S	*	*	H	α-helix	trans	-70.3	-30.5	179.2	-170.9	176.8	177.5	-174.9	-0.7	113.3	R135 H136 M137 H141	R135-R139 WeakPolarHBondContact O-CB 3.36Å; R135-R139 PolarHBondContact O-N 3.5Å; H136-R139 PolarHBondContact O-N 3.02Å; M137-R139 VanDerWaalsContact C-N 3.34Å; R139-H141 VanDerWaalsContact C-N 3.26Å; R139-H141 PolarHBondContact O-N 3.32Å
140	N	51.5	Low	57.7	Low	122 Å²	122	125.2 Å²	125.2	65%	0.652	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-3.2	176.9	-72.7	-11.8	0	0	0	113.4	H136 M137 Y142	H136-N140 PolarHBondContact O-N 3.43Å; H136-N140 VanDerWaalsContact O-N 3.07Å; M137-N140 PolarHBondContact O-N 3.41Å; N140-Y142 VanDerWaalsContact C-N 3.33Å
141	H	46.4	Very low	57.1	Low	159 Å²	159	128.9 Å²	128.9	74%	0.736	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	11.9	172.1	-82.2	69.6	0	0	0	113.4	M137 D138 R139	M137-H141 PolarHBondContact O-ND1 3.49Å; D138-H141 PolarHBondContact O-N 3.47Å; R139-H141 VanDerWaalsContact C-N 3.26Å; R139-H141 PolarHBondContact O-N 3.32Å
142	Y	39	Very low	56.1	Low	275 Å²	275	131.7 Å²	131.7	100%	1.078	59%	0.592	S	S	*	*			trans	-135.3	0	171.9	-84.7	-84.5	0	0	0	110.5	N140	N140-Y142 VanDerWaalsContact C-N 3.33Å

Retrieved 142 of 142 residues in 72.9 ms (Link to these results)

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