A0A5K4FA63_SCHMA Loading...

UPF0506 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FA63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 97 aa.

						>A0A5K4FA63_SCHMA|A0A5K4FA63
MYPLVFISILFTLLSQINISEGLFQCRQLGETCHKTLFDRCCGRNVCQLKGWTGRCVKCLNTGDKCLKSKECCNGRCVLFKCKDKGIGKTTNHRNKY
					

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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	61.7	Low	79	Confident	209 Å²	209	122.3 Å²	122.3	100%	1.03	61%	0.613	S	S	*	*				0	-31.5	0	-73.7	171.4	79	0	0	113.7	P3	M1-P3 VanDerWaalsContact C-CD 3.4Å
2	Y	67.7	Low	79.2	Confident	179 Å²	179	119 Å²	119	70%	0.702	61%	0.605	S	S	*	*	H	α-helix	trans	-61.5	-33.1	178.9	-82.3	-88.3	0	0	0	119.1	L4 V5 F6	Y2-L4 VanDerWaalsContact C-N 3.28Å; Y2-L4 PolarHBondContact O-N 3.49Å; Y2-V5 PolarHBondContact O-N 3.14Å; Y2-V5 VanDerWaalsContact O-N 3.14Å; Y2-F6 HydrophobicContact CD1-CE2 4.37Å; Y2-F6 PolarHBondContact O-N 3.39Å
3	P	78.3	Confident	78.9	Confident	87 Å²	87	119.2 Å²	119.2	57%	0.565	61%	0.607	S	S	*	*	H	α-helix	trans	-65.2	-32.8	-172.1	23.5	-32.7	0	0	0	112.6	M1 V5 I7	M1-P3 VanDerWaalsContact C-CD 3.4Å; P3-V5 VanDerWaalsContact C-N 3.34Å; P3-V5 PolarHBondContact O-N 3.26Å; P3-I7 WeakPolarHBondContact O-CD1 3.25Å; P3-I7 VanDerWaalsContact O-CG1 3.25Å; P3-I7 WeakPolarHBondContact O-CG1 3.41Å; P3-I7 PolarHBondContact O-N 3.2Å
4	L	75.3	Confident	78.4	Confident	130 Å²	130	116.9 Å²	116.9	68%	0.681	60%	0.597	S	S	*	*	H	α-helix	trans	-69.4	-33.1	178.5	-63.5	176.1	0	0	0	112.4	Y2 S8	Y2-L4 VanDerWaalsContact C-N 3.28Å; Y2-L4 PolarHBondContact O-N 3.49Å; L4-S8 PolarHBondContact O-N 3.06Å; L4-S8 PolarHBondContact O-OG 3.02Å
5	V	86.2	Confident	78	Confident	75 Å²	75	114.7 Å²	114.7	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-71.4	-41.5	179.3	-161.1	0	0	0	0	110.5	Y2 P3 I7 S8 I9	Y2-V5 PolarHBondContact O-N 3.14Å; Y2-V5 VanDerWaalsContact O-N 3.14Å; P3-V5 VanDerWaalsContact C-N 3.34Å; P3-V5 PolarHBondContact O-N 3.26Å; V5-I7 PolarHBondContact O-N 3.19Å; V5-S8 WeakPolarHBondContact CA-OG 3.41Å; V5-S8 PolarHBondContact O-N 2.97Å; V5-S8 PolarHBondContact O-OG 2.74Å; V5-I9 HydrophobicContact CG1-CD1 4.2Å; V5-I9 VanDerWaalsContact O-CG1 3.28Å; V5-I9 WeakPolarHBondContact O-CG1 3.28Å; V5-I9 PolarHBondContact O-N 3.36Å
6	F	82.1	Confident	77.4	Confident	144 Å²	144	115.9 Å²	115.9	63%	0.632	60%	0.597	S	S	*	*	H	α-helix	trans	-62.6	-42.3	175.5	-94.6	-87.6	0	0	0	112.5	Y2 S8 I9 L10	Y2-F6 HydrophobicContact CD1-CE2 4.37Å; Y2-F6 PolarHBondContact O-N 3.39Å; F6-S8 VanDerWaalsContact C-N 3.33Å; F6-S8 PolarHBondContact O-N 3.46Å; F6-I9 PolarHBondContact O-N 3.42Å; F6-L10 WeakPolarHBondContact O-CB 3.41Å; F6-L10 PolarHBondContact O-N 3.19Å
7	I	83.8	Confident	76.7	Confident	100 Å²	100	114.4 Å²	114.4	51%	0.513	59%	0.589	S	S	.	*	H	α-helix	trans	-62.6	-42.2	178.9	-67.9	164.9	0	0	0	110.7	P3 V5 L10 F11	P3-I7 WeakPolarHBondContact O-CD1 3.25Å; P3-I7 VanDerWaalsContact O-CG1 3.25Å; P3-I7 WeakPolarHBondContact O-CG1 3.41Å; P3-I7 PolarHBondContact O-N 3.2Å; V5-I7 PolarHBondContact O-N 3.19Å; I7-L10 PolarHBondContact O-N 3.5Å; I7-F11 WeakPolarHBondContact O-CB 3.43Å; I7-F11 PolarHBondContact O-N 3.45Å
8	S	84	Confident	75.8	Confident	62 Å²	62	114.9 Å²	114.9	43%	0.434	59%	0.593	S	S	.	*	H	α-helix	trans	-69.3	-38.1	-179.8	31.2	0	0	0	0	112.6	L4 V5 F6 F11 T12	L4-S8 PolarHBondContact O-N 3.06Å; L4-S8 PolarHBondContact O-OG 3.02Å; V5-S8 WeakPolarHBondContact CA-OG 3.41Å; V5-S8 PolarHBondContact O-N 2.97Å; V5-S8 PolarHBondContact O-OG 2.74Å; F6-S8 VanDerWaalsContact C-N 3.33Å; F6-S8 PolarHBondContact O-N 3.46Å; S8-F11 PolarHBondContact O-N 2.98Å; S8-T12 PolarHBondContact O-N 2.93Å; S8-T12 PolarHBondContact O-OG1 2.88Å
9	I	84.8	Confident	75.1	Confident	106 Å²	106	116.8 Å²	116.8	54%	0.544	60%	0.603	S	S	.	*	H	α-helix	trans	-62.5	-47	172.7	-65.6	165.1	0	0	0	110.5	V5 F6 F11 T12 L13	V5-I9 HydrophobicContact CG1-CD1 4.2Å; V5-I9 VanDerWaalsContact O-CG1 3.28Å; V5-I9 WeakPolarHBondContact O-CG1 3.28Å; V5-I9 PolarHBondContact O-N 3.36Å; F6-I9 PolarHBondContact O-N 3.42Å; I9-F11 VanDerWaalsContact C-N 3.34Å; I9-F11 PolarHBondContact O-N 3.42Å; I9-T12 PolarHBondContact O-N 3.48Å; I9-L13 PolarHBondContact O-N 3.44Å
10	L	81.6	Confident	74.1	Confident	100 Å²	100	115 Å²	115	52%	0.524	60%	0.601	S	S	.	*	H	α-helix	trans	-63.1	-41.8	178.9	-172.8	66.1	0	0	0	111.5	F6 I7 T12 L13 L14	F6-L10 WeakPolarHBondContact O-CB 3.41Å; F6-L10 PolarHBondContact O-N 3.19Å; I7-L10 PolarHBondContact O-N 3.5Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 3.46Å; L10-L13 PolarHBondContact O-N 3.41Å; L10-L14 HydrophobicContact CG-CD1 4.12Å; L10-L14 HydrophobicContact CG-CG 4.45Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 2.75Å
11	F	83.6	Confident	73.2	Confident	153 Å²	153	119 Å²	119	67%	0.671	62%	0.617	S	S	*	*	H	α-helix	trans	-60.9	-41	177.1	-124.3	-93	0	0	0	112	I7 S8 I9 L14 S15	I7-F11 WeakPolarHBondContact O-CB 3.43Å; I7-F11 PolarHBondContact O-N 3.45Å; S8-F11 PolarHBondContact O-N 2.98Å; I9-F11 VanDerWaalsContact C-N 3.34Å; I9-F11 PolarHBondContact O-N 3.42Å; F11-L14 PolarHBondContact O-N 3.03Å; F11-S15 PolarHBondContact O-N 2.88Å; F11-S15 PolarHBondContact O-OG 3.24Å
12	T	81.1	Confident	72.9	Confident	83 Å²	83	112 Å²	112	51%	0.509	60%	0.598	S	S	.	*	H	α-helix	trans	-70.1	-36.8	178.4	-46.4	0	0	0	0	111.1	S8 I9 L10 S15 Q16	S8-T12 PolarHBondContact O-N 2.93Å; S8-T12 PolarHBondContact O-OG1 2.88Å; I9-T12 PolarHBondContact O-N 3.48Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 3.46Å; T12-S15 WeakPolarHBondContact CA-OG 3.26Å; T12-S15 PolarHBondContact O-N 2.94Å; T12-S15 PolarHBondContact O-OG 3.23Å; T12-Q16 WeakPolarHBondContact O-CG 3.44Å; T12-Q16 PolarHBondContact O-N 3.46Å
13	L	75.4	Confident	72.3	Confident	121 Å²	121	110.6 Å²	110.6	63%	0.634	60%	0.602	S	S	*	*	H	α-helix	trans	-66.5	-40.2	175.3	-157.2	75.2	0	0	0	111.3	I9 L10 Q16	I9-L13 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 3.41Å; L13-Q16 PolarHBondContact O-N 3.26Å
14	L	72.7	Confident	71.4	Confident	88 Å²	88	111.4 Å²	111.4	46%	0.461	60%	0.597	S	S	.	*	H	α-helix	trans	-69.2	-35.7	176.6	-69.1	173.3	0	0	0	111.8	L10 F11 Q16 I17	L10-L14 HydrophobicContact CG-CD1 4.12Å; L10-L14 HydrophobicContact CG-CG 4.45Å; L10-L14 WeakPolarHBondContact O-CB 3.4Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.44Å; L10-L14 PolarHBondContact O-N 2.75Å; F11-L14 PolarHBondContact O-N 3.03Å; L14-Q16 VanDerWaalsContact C-N 3.26Å; L14-Q16 PolarHBondContact O-N 3.49Å; L14-I17 HydrophobicContact CB-CD1 4.24Å; L14-I17 HydrophobicContact CD2-CD1 3.85Å; L14-I17 WeakPolarHBondContact O-CB 3.2Å; L14-I17 WeakPolarHBondContact O-CD1 3.46Å; L14-I17 WeakPolarHBondContact O-CG1 2.95Å; L14-I17 PolarHBondContact O-N 2.78Å
15	S	71.5	Confident	71	Confident	83 Å²	83	112.6 Å²	112.6	58%	0.58	60%	0.599	S	S	*	*	H	α-helix	trans	-70	-21.2	178.9	53.4	0	0	0	0	114	F11 T12 I17	F11-S15 PolarHBondContact O-N 2.88Å; F11-S15 PolarHBondContact O-OG 3.24Å; T12-S15 WeakPolarHBondContact CA-OG 3.26Å; T12-S15 PolarHBondContact O-N 2.94Å; T12-S15 PolarHBondContact O-OG 3.23Å; S15-I17 PolarHBondContact O-N 3.32Å
16	Q	67.9	Low	70.6	Confident	134 Å²	134	111.7 Å²	111.7	63%	0.626	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-10.6	171.4	-56	-64.3	-25.5	0	0	112.9	T12 L13 L14 N18	T12-Q16 WeakPolarHBondContact O-CG 3.44Å; T12-Q16 PolarHBondContact O-N 3.46Å; L13-Q16 PolarHBondContact O-N 3.26Å; L14-Q16 VanDerWaalsContact C-N 3.26Å; L14-Q16 PolarHBondContact O-N 3.49Å; Q16-N18 PolarHBondContact O-N 3.06Å; Q16-N18 PolarHBondContact O-ND2 3.28Å
17	I	66.4	Low	70.4	Confident	90 Å²	90	108.4 Å²	108.4	46%	0.462	58%	0.579	S	S	.	*			trans	-71.1	87	173	81.9	-153.1	0	0	0	107.5	L14 S15 I19	L14-I17 HydrophobicContact CB-CD1 4.24Å; L14-I17 HydrophobicContact CD2-CD1 3.85Å; L14-I17 WeakPolarHBondContact O-CB 3.2Å; L14-I17 WeakPolarHBondContact O-CD1 3.46Å; L14-I17 WeakPolarHBondContact O-CG1 2.95Å; L14-I17 PolarHBondContact O-N 2.78Å; S15-I17 PolarHBondContact O-N 3.32Å; I17-I19 HydrophobicContact CD1-CD1 4.33Å; I17-I19 HydrophobicContact CD1-CG1 4.49Å; I17-I19 HydrophobicContact CG1-CD1 4.11Å; I17-I19 HydrophobicContact CG1-CG1 3.78Å; I17-I19 PolarHBondContact O-N 2.82Å
18	N	60.5	Low	70.3	Confident	124 Å²	124	110.1 Å²	110.1	66%	0.663	59%	0.585	S	S	*	*			trans	-62.8	92.8	162.9	-75.3	-84.2	0	0	0	106	Q16 S20	Q16-N18 PolarHBondContact O-N 3.06Å; Q16-N18 PolarHBondContact O-ND2 3.28Å; N18-S20 PolarHBondContact O-N 2.84Å
19	I	61.6	Low	70.2	Confident	152 Å²	152	111.2 Å²	111.2	78%	0.779	59%	0.585	S	S	*	*			trans	-76	54.6	167.8	-44.4	178.2	0	0	0	107.6	I17	I17-I19 HydrophobicContact CD1-CD1 4.33Å; I17-I19 HydrophobicContact CD1-CG1 4.49Å; I17-I19 HydrophobicContact CG1-CD1 4.11Å; I17-I19 HydrophobicContact CG1-CG1 3.78Å; I17-I19 PolarHBondContact O-N 2.82Å
20	S	56.7	Low	70	Confident	79 Å²	79	108.5 Å²	108.5	55%	0.552	58%	0.583	S	S	*	*			trans	-141.3	92.9	179.4	-44.4	0	0	0	0	100	N18	N18-S20 PolarHBondContact O-N 2.84Å
21	E	55.4	Low	70.1	Confident	200 Å²	200	107.6 Å²	107.6	94%	0.935	58%	0.576	S	S	*	*	S	Bend		174.5	23.1	97.1	-80.1	-169.2	108.2	0	0	110.3
22	G	54.4	Low	69.9	Low	62 Å²	62	103.6 Å²	103.6	64%	0.639	56%	0.564	S	S	*	*	S	Bend	trans	-105.4	-34.7	-164.5	0	0	0	0	0	118.1	F24	G22-F24 PolarHBondContact O-N 3.32Å
23	L	54.2	Low	69.8	Low	149 Å²	149	99.7 Å²	99.7	78%	0.78	54%	0.54	S	S	*	.	S	Bend	trans	-85.5	-5.7	-157.3	-150.8	70.5	0	0	0	115.3
24	F	59.3	Low	69.6	Low	105 Å²	105	98.5 Å²	98.5	46%	0.461	53%	0.531	S	S	.	.			trans	-141.8	71.7	-177.9	-134.8	-107.8	0	0	0	110.7	G22 C26 L37 R40	G22-F24 PolarHBondContact O-N 3.32Å; F24-C26 PolarHBondContact O-N 3.44Å; F24-L37 WeakPolarHBondContact CE2-O 3.23Å; F24-L37 WeakPolarHBondContact CZ-O 3.32Å; F24-R40 HydrophobicContact CE1-CB 3.54Å; F24-R40 HydrophobicContact CE1-CG 3.62Å; F24-R40 HydrophobicContact CZ-CB 3.92Å; F24-R40 VanDerWaalsContact CZ-CD 3.46Å; F24-R40 HydrophobicContact CZ-CG 3.45Å; F24-R40 VanDerWaalsContact CZ-CG 3.45Å
25	Q	68.8	Low	69	Low	154 Å²	154	102.9 Å²	102.9	72%	0.72	55%	0.546	S	S	*	.			trans	-62.5	93.2	165.3	-70.5	-173.5	-14.3	0	0	107.8
26	C	77.8	Confident	68.5	Low	57 Å²	57	102.3 Å²	102.3	39%	0.385	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-70.5	140.8	174.9	69.2	0	0	0	0	108.7	F24 R40 C42	F24-C26 PolarHBondContact O-N 3.44Å; C26-R40 CarbonylContact C-O 3.5Å; C26-R40 WeakPolarHBondContact CA-O 3.08Å; C26-C42 VanDerWaalsContact CA-SG 3.6Å; C26-C42 HydrophobicContact CB-CB 3.84Å; C26-C42 WeakPolarHBondContact CB-SG 3.36Å; C26-C42 PolarHBondContact O-SG 2.78Å; C26-C42 VanDerWaalsContact SG-CA 3.56Å; C26-C42 WeakPolarHBondContact SG-CB 3.19Å; C26-C42 CovalentContact SG-SG 2.03Å; C26-C42 PolarHBondContact SG-SG 2.86Å
27	R	77.1	Confident	68.1	Low	75 Å²	75	102.1 Å²	102.1	28%	0.283	54%	0.542	S	S	.	.	B	Isolated β-bridge	trans	-85.2	136.1	-175.8	-62.5	-61.1	-172	124.1	2.1	111.1	E31 T32 D39 R40 C41 C42	R27-E31 VanDerWaalsContact CA-OE2 3.31Å; R27-E31 WeakPolarHBondContact CA-OE2 3.31Å; R27-E31 HydrophobicContact CB-CB 4.03Å; R27-E31 WeakPolarHBondContact CB-OE2 3.36Å; R27-E31 WeakPolarHBondContact CD-OE2 3.2Å; R27-T32 PolarHBondContact NH1-O 2.96Å; R27-D39 HydrophobicContact CG-CB 4.4Å; R27-D39 IonicContact CZ-OD1 3.24Å; R27-D39 VanDerWaalsContact CZ-OD1 3.24Å; R27-D39 IonicContact NE-OD1 2.96Å; R27-D39 PolarHBondContact NE-OD1 3.13Å; R27-D39 IonicContact NH2-OD1 2.72Å; R27-D39 PolarHBondContact NH2-OD1 2.82Å; R27-R40 PolarHBondContact N-O 3.49Å; R27-C41 WeakPolarHBondContact O-CA 3.24Å; R27-C42 PolarHBondContact O-N 2.72Å
28	Q	82.2	Confident	67.6	Low	136 Å²	136	103.8 Å²	103.8	64%	0.636	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-72.8	170.2	177.7	-66.7	-156.2	25.3	0	0	111.9	G30 E31 C56	Q28-G30 PolarHBondContact O-N 2.6Å; Q28-E31 HydrophobicContact CB-CG 4.15Å; Q28-E31 PolarHBondContact N-OE2 3.33Å; Q28-E31 VanDerWaalsContact N-OE2 3.08Å; Q28-E31 WeakPolarHBondContact O-CB 3.49Å; Q28-E31 PolarHBondContact O-N 3.1Å; Q28-E31 VanDerWaalsContact O-N 3.15Å; Q28-C56 VanDerWaalsContact O-CB 3.24Å; Q28-C56 WeakPolarHBondContact O-CB 3.18Å
29	L	82.4	Confident	67.8	Low	85 Å²	85	99.2 Å²	99.2	45%	0.445	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	131.1	176.5	-175.8	73.6	0	0	0	110.8	E31 V57 K58	L29-E31 VanDerWaalsContact C-N 3.25Å; L29-E31 PolarHBondContact O-N 3.12Å; L29-V57 VanDerWaalsContact CD1-C 3.46Å; L29-K58 HydrophobicContact CD1-CB 4.27Å; L29-K58 HydrophobicContact CD1-CG 3.47Å; L29-K58 VanDerWaalsContact CD1-CG 3.47Å; L29-K58 HydrophobicContact CD2-CD 4.08Å; L29-K58 HydrophobicContact CD2-CG 3.71Å; L29-K58 HydrophobicContact CG-CG 4.24Å
30	G	80.5	Confident	68.3	Low	48 Å²	48	99.1 Å²	99.1	50%	0.495	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-14.1	-177.9	0	0	0	0	0	113.9	Q28 C56	Q28-G30 PolarHBondContact O-N 2.6Å; G30-C56 PolarHBondContact N-O 3.27Å
31	E	83.6	Confident	69.4	Low	81 Å²	81	96 Å²	96	38%	0.379	49%	0.49	S	S	.	.			trans	-70.9	154.8	176.8	-70	-166.4	166.9	0	0	112.3	R27 Q28 L29 C33 R55 C56	R27-E31 VanDerWaalsContact CA-OE2 3.31Å; R27-E31 WeakPolarHBondContact CA-OE2 3.31Å; R27-E31 HydrophobicContact CB-CB 4.03Å; R27-E31 WeakPolarHBondContact CB-OE2 3.36Å; R27-E31 WeakPolarHBondContact CD-OE2 3.2Å; Q28-E31 HydrophobicContact CB-CG 4.15Å; Q28-E31 PolarHBondContact N-OE2 3.33Å; Q28-E31 VanDerWaalsContact N-OE2 3.08Å; Q28-E31 WeakPolarHBondContact O-CB 3.49Å; Q28-E31 PolarHBondContact O-N 3.1Å; Q28-E31 VanDerWaalsContact O-N 3.15Å; L29-E31 VanDerWaalsContact C-N 3.25Å; L29-E31 PolarHBondContact O-N 3.12Å; E31-C33 PolarHBondContact O-N 3.08Å; E31-R55 CarbonylContact O-C 3.44Å; E31-R55 VanDerWaalsContact O-CA 3.28Å; E31-R55 WeakPolarHBondContact O-CA 2.98Å; E31-C56 PolarHBondContact O-N 2.8Å
32	T	79.4	Confident	70.6	Confident	70 Å²	70	88.2 Å²	88.2	43%	0.429	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.5	-179.2	-40.9	0	0	0	0	108.7	R27 G54	R27-T32 PolarHBondContact NH1-O 2.96Å; T32-G54 CarbonylContact C-O 3.44Å; T32-G54 VanDerWaalsContact CA-O 3.29Å; T32-G54 WeakPolarHBondContact CA-O 3.32Å; T32-G54 WeakPolarHBondContact CG2-O 3.05Å
33	C	77.1	Confident	71.8	Confident	0 Å²	0	89.1 Å²	89.1	0%	0	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.1	172.7	54.9	0	0	0	0	109.6	E31 C47 G54 R55	E31-C33 PolarHBondContact O-N 3.08Å; C33-C47 HydrophobicContact CB-CB 3.93Å; C33-C47 WeakPolarHBondContact CB-SG 3.29Å; C33-C47 VanDerWaalsContact SG-CA 3.51Å; C33-C47 WeakPolarHBondContact SG-CB 3.28Å; C33-C47 CovalentContact SG-SG 2.02Å; C33-C47 PolarHBondContact SG-SG 2.8Å; C33-G54 PolarHBondContact N-O 2.83Å; C33-G54 CarbonylContact O-C 3.54Å; C33-G54 WeakPolarHBondContact O-CA 3.17Å; C33-G54 PolarHBondContact O-N 3.4Å; C33-G54 VanDerWaalsContact SG-CA 3.53Å; C33-R55 VanDerWaalsContact SG-C 3.54Å; C33-R55 PolarHBondContact SG-N 2.92Å; C33-R55 VanDerWaalsContact SG-N 3.36Å
34	H	72.2	Confident	72.9	Confident	97 Å²	97	93.4 Å²	93.4	45%	0.449	47%	0.472	S	S	.	.			trans	-102	166.9	171.1	-103.8	118.4	0	0	0	110.7	T36	H34-T36 VanDerWaalsContact CB-OG1 3.23Å; H34-T36 WeakPolarHBondContact CB-OG1 2.99Å; H34-T36 PolarHBondContact O-N 3.49Å; H34-T36 VanDerWaalsContact O-N 3.12Å
35	K	60.8	Low	74	Confident	179 Å²	179	90.4 Å²	90.4	78%	0.778	46%	0.461	S	S	*	.	S	Bend	trans	-69.8	-0.1	176	-163.8	178.1	163	76.1	0	112.8
36	T	60.3	Low	74.7	Confident	71 Å²	71	83.8 Å²	83.8	44%	0.436	43%	0.431	S	S	.	.	S	Bend	trans	-67.9	139.9	175.1	34.9	0	0	0	0	110.9	H34 F38 D39	H34-T36 VanDerWaalsContact CB-OG1 3.23Å; H34-T36 WeakPolarHBondContact CB-OG1 2.99Å; H34-T36 PolarHBondContact O-N 3.49Å; H34-T36 VanDerWaalsContact O-N 3.12Å; T36-F38 PolarHBondContact O-N 2.83Å; T36-F38 VanDerWaalsContact O-N 3.1Å; T36-D39 PolarHBondContact O-N 2.84Å; T36-D39 PolarHBondContact OG1-OD2 3.36Å
37	L	59.7	Low	74.9	Confident	131 Å²	131	82.9 Å²	82.9	69%	0.686	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17	-179	-76.2	167.1	0	0	0	113.8	F24	F24-L37 WeakPolarHBondContact CE2-O 3.23Å; F24-L37 WeakPolarHBondContact CZ-O 3.32Å
38	F	56.3	Low	75.2	Confident	124 Å²	124	80.3 Å²	80.3	54%	0.544	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-22.1	-177.7	-57.9	-73.7	0	0	0	113.4	T36 R40	T36-F38 PolarHBondContact O-N 2.83Å; T36-F38 VanDerWaalsContact O-N 3.1Å; F38-R40 PolarHBondContact O-N 2.03Å
39	D	64.5	Low	75.2	Confident	29 Å²	29	76.1 Å²	76.1	16%	0.155	40%	0.398	C	S	.	.			trans	-100.4	56.1	-172.5	-65.3	-66	0	0	0	112.5	R27 T36	R27-D39 HydrophobicContact CG-CB 4.4Å; R27-D39 IonicContact CZ-OD1 3.24Å; R27-D39 VanDerWaalsContact CZ-OD1 3.24Å; R27-D39 IonicContact NE-OD1 2.96Å; R27-D39 PolarHBondContact NE-OD1 3.13Å; R27-D39 IonicContact NH2-OD1 2.72Å; R27-D39 PolarHBondContact NH2-OD1 2.82Å; T36-D39 PolarHBondContact O-N 2.84Å; T36-D39 PolarHBondContact OG1-OD2 3.36Å
40	R	72.1	Confident	74.9	Confident	150 Å²	150	78.9 Å²	78.9	57%	0.566	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-79.8	145.8	173.1	-63.1	-165.6	-168.8	177.8	4.3	110.9	F24 C26 R27 F38	F24-R40 HydrophobicContact CE1-CB 3.54Å; F24-R40 HydrophobicContact CE1-CG 3.62Å; F24-R40 HydrophobicContact CZ-CB 3.92Å; F24-R40 VanDerWaalsContact CZ-CD 3.46Å; F24-R40 HydrophobicContact CZ-CG 3.45Å; F24-R40 VanDerWaalsContact CZ-CG 3.45Å; C26-R40 CarbonylContact C-O 3.5Å; C26-R40 WeakPolarHBondContact CA-O 3.08Å; R27-R40 PolarHBondContact N-O 3.49Å; F38-R40 PolarHBondContact O-N 2.03Å
41	C	78.9	Confident	74.7	Confident	14 Å²	14	79.3 Å²	79.3	10%	0.095	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-69.7	140.5	172.5	-50.9	0	0	0	0	110.6	R27 N45 C56	R27-C41 WeakPolarHBondContact O-CA 3.24Å; C41-N45 HydrophobicContact CB-CB 3.5Å; C41-C56 WeakPolarHBondContact CA-SG 3.47Å; C41-C56 HydrophobicContact CB-CB 3.66Å; C41-C56 WeakPolarHBondContact CB-SG 3.06Å; C41-C56 WeakPolarHBondContact SG-CA 3.41Å; C41-C56 WeakPolarHBondContact SG-CB 3.37Å; C41-C56 CovalentContact SG-SG 2.02Å; C41-C56 PolarHBondContact SG-SG 2.72Å
42	C	81	Confident	74.1	Confident	35 Å²	35	86.9 Å²	86.9	24%	0.236	44%	0.437	C	S	.	.	S	Bend	trans	-63.1	139.7	179.1	-61	0	0	0	0	112	C26 R27 R44 N45	C26-C42 VanDerWaalsContact CA-SG 3.6Å; C26-C42 HydrophobicContact CB-CB 3.84Å; C26-C42 WeakPolarHBondContact CB-SG 3.36Å; C26-C42 PolarHBondContact O-SG 2.78Å; C26-C42 VanDerWaalsContact SG-CA 3.56Å; C26-C42 WeakPolarHBondContact SG-CB 3.19Å; C26-C42 CovalentContact SG-SG 2.03Å; C26-C42 PolarHBondContact SG-SG 2.86Å; R27-C42 PolarHBondContact O-N 2.72Å; C42-R44 PolarHBondContact O-N 3.15Å; C42-N45 WeakPolarHBondContact O-CB 3.02Å; C42-N45 PolarHBondContact O-N 3.37Å; C42-N45 PolarHBondContact O-ND2 3.44Å
43	G	80.8	Confident	74	Confident	82 Å²	82	87 Å²	87	85%	0.845	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	-123	169.4	0	0	0	0	0	114
44	R	76.3	Confident	74.3	Confident	238 Å²	238	87.1 Å²	87.1	90%	0.898	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	4.9	-178.2	-70.3	-175.2	-87.2	-169.5	-6	113.4	C42	C42-R44 PolarHBondContact O-N 3.15Å
45	N	83.1	Confident	75	Confident	42 Å²	42	90.2 Å²	90.2	23%	0.225	45%	0.446	C	S	.	.			trans	-73.4	151.8	-179.3	-63.6	-21.6	0	0	0	111	C41 C42 V57	C41-N45 HydrophobicContact CB-CB 3.5Å; C42-N45 WeakPolarHBondContact O-CB 3.02Å; C42-N45 PolarHBondContact O-N 3.37Å; C42-N45 PolarHBondContact O-ND2 3.44Å; N45-V57 WeakPolarHBondContact CA-O 3.29Å
46	V	82.1	Confident	76.2	Confident	15 Å²	15	81.7 Å²	81.7	9%	0.091	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.6	-173.3	-64.1	0	0	0	0	109.6	Q48 V57 L60 E71	V46-Q48 PolarHBondContact O-N 3.36Å; V46-V57 HydrophobicContact CG2-CG2 3.79Å; V46-V57 WeakPolarHBondContact CG2-O 3.5Å; V46-V57 PolarHBondContact N-O 2.86Å; V46-V57 PolarHBondContact O-N 2.89Å; V46-L60 HydrophobicContact CB-CD1 3.98Å; V46-L60 HydrophobicContact CB-CG 4.48Å; V46-L60 HydrophobicContact CG2-CD1 3.57Å; V46-L60 HydrophobicContact CG2-CG 3.64Å; V46-E71 HydrophobicContact CB-CB 4.37Å; V46-E71 HydrophobicContact CG1-CB 3.68Å; V46-E71 HydrophobicContact CG1-CG 3.62Å
47	C	82.5	Confident	77.5	Confident	39 Å²	39	79.8 Å²	79.8	26%	0.264	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	104.7	179.5	178	0	0	0	0	109.2	C33 L49	C33-C47 HydrophobicContact CB-CB 3.93Å; C33-C47 WeakPolarHBondContact CB-SG 3.29Å; C33-C47 VanDerWaalsContact SG-CA 3.51Å; C33-C47 WeakPolarHBondContact SG-CB 3.28Å; C33-C47 CovalentContact SG-SG 2.02Å; C33-C47 PolarHBondContact SG-SG 2.8Å; C47-L49 HydrophobicContact CB-CD1 4.38Å; C47-L49 PolarHBondContact O-N 2.88Å; C47-L49 WeakPolarHBondContact SG-CD1 2.98Å
48	Q	83.2	Confident	78.8	Confident	20 Å²	20	80.9 Å²	80.9	9%	0.093	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	102	174.1	178.1	-168.6	20.4	0	0	109	V46 G54 R55 V57 L60 D64	V46-Q48 PolarHBondContact O-N 3.36Å; Q48-G54 CarbonylContact O-C 3.54Å; Q48-G54 WeakPolarHBondContact O-CA 3.45Å; Q48-R55 PolarHBondContact N-O 3.31Å; Q48-R55 PolarHBondContact O-N 3.36Å; Q48-V57 HydrophobicContact CB-CG1 4.41Å; Q48-V57 HydrophobicContact CB-CG2 3.85Å; Q48-L60 HydrophobicContact CB-CD2 3.9Å; Q48-L60 HydrophobicContact CG-CD2 4.06Å; Q48-D64 HydrophobicContact CG-CB 4.27Å; Q48-D64 PolarHBondContact NE2-OD1 2.91Å; Q48-D64 PolarHBondContact NE2-OD2 2.02Å
49	L	81.6	Confident	80.2	Confident	49 Å²	49	77.2 Å²	77.2	26%	0.257	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.2	174.8	-82.1	82.2	0	0	0	111.5	C47	C47-L49 HydrophobicContact CB-CD1 4.38Å; C47-L49 PolarHBondContact O-N 2.88Å; C47-L49 WeakPolarHBondContact SG-CD1 2.98Å
50	K	76.4	Confident	81.2	Confident	142 Å²	142	75.9 Å²	75.9	62%	0.617	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	96.1	168.3	-75.7	-174.3	175.2	172	0	109.3	W52 T53	K50-W52 PolarHBondContact O-N 3.23Å; K50-T53 CarbonylContact C-O 3.54Å; K50-T53 PolarHBondContact N-O 3.35Å
51	G	76.1	Confident	81.8	Confident	58 Å²	58	73.7 Å²	73.7	60%	0.598	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-113.9	-175.6	0	0	0	0	0	111.4
52	W	71	Confident	82	Confident	240 Å²	240	76.3 Å²	76.3	91%	0.909	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-21.3	-178.4	-63	-23.4	0	0	0	114.1	K50	K50-W52 PolarHBondContact O-N 3.23Å
53	T	78.5	Confident	81.9	Confident	72 Å²	72	76.8 Å²	76.8	44%	0.442	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.3	176.8	55.1	0	0	0	0	110.4	K50	K50-T53 CarbonylContact C-O 3.54Å; K50-T53 PolarHBondContact N-O 3.35Å
54	G	82.9	Confident	82	Confident	2 Å²	2	73.9 Å²	73.9	2%	0.021	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	167.5	170.9	0	0	0	0	0	112.6	T32 C33 Q48	T32-G54 CarbonylContact C-O 3.44Å; T32-G54 VanDerWaalsContact CA-O 3.29Å; T32-G54 WeakPolarHBondContact CA-O 3.32Å; T32-G54 WeakPolarHBondContact CG2-O 3.05Å; C33-G54 PolarHBondContact N-O 2.83Å; C33-G54 CarbonylContact O-C 3.54Å; C33-G54 WeakPolarHBondContact O-CA 3.17Å; C33-G54 PolarHBondContact O-N 3.4Å; C33-G54 VanDerWaalsContact SG-CA 3.53Å; Q48-G54 CarbonylContact O-C 3.54Å; Q48-G54 WeakPolarHBondContact O-CA 3.45Å
55	R	86.3	Confident	82.3	Confident	162 Å²	162	68.6 Å²	68.6	61%	0.611	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.7	166.5	-68.6	-176.5	-172.2	163.4	1.1	110.8	E31 C33 Q48 V57	E31-R55 CarbonylContact O-C 3.44Å; E31-R55 VanDerWaalsContact O-CA 3.28Å; E31-R55 WeakPolarHBondContact O-CA 2.98Å; C33-R55 VanDerWaalsContact SG-C 3.54Å; C33-R55 PolarHBondContact SG-N 2.92Å; C33-R55 VanDerWaalsContact SG-N 3.36Å; Q48-R55 PolarHBondContact N-O 3.31Å; Q48-R55 PolarHBondContact O-N 3.36Å; R55-V57 PolarHBondContact O-N 2.02Å
56	C	87.1	Confident	82.3	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	119.5	173.2	-70.9	0	0	0	0	110.3	Q28 G30 E31 C41	Q28-C56 VanDerWaalsContact O-CB 3.24Å; Q28-C56 WeakPolarHBondContact O-CB 3.18Å; G30-C56 PolarHBondContact N-O 3.27Å; E31-C56 PolarHBondContact O-N 2.8Å; C41-C56 WeakPolarHBondContact CA-SG 3.47Å; C41-C56 HydrophobicContact CB-CB 3.66Å; C41-C56 WeakPolarHBondContact CB-SG 3.06Å; C41-C56 WeakPolarHBondContact SG-CA 3.41Å; C41-C56 WeakPolarHBondContact SG-CB 3.37Å; C41-C56 CovalentContact SG-SG 2.02Å; C41-C56 PolarHBondContact SG-SG 2.72Å
57	V	87.5	Confident	82.3	Confident	31 Å²	31	72.6 Å²	72.6	19%	0.188	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.8	177.9	-63.1	0	0	0	0	110.3	L29 N45 V46 Q48 R55 C59	L29-V57 VanDerWaalsContact CD1-C 3.46Å; N45-V57 WeakPolarHBondContact CA-O 3.29Å; V46-V57 HydrophobicContact CG2-CG2 3.79Å; V46-V57 WeakPolarHBondContact CG2-O 3.5Å; V46-V57 PolarHBondContact N-O 2.86Å; V46-V57 PolarHBondContact O-N 2.89Å; Q48-V57 HydrophobicContact CB-CG1 4.41Å; Q48-V57 HydrophobicContact CB-CG2 3.85Å; R55-V57 PolarHBondContact O-N 2.02Å; V57-C59 VanDerWaalsContact C-N 3.32Å; V57-C59 VanDerWaalsContact CG2-O 3.29Å; V57-C59 WeakPolarHBondContact CG2-O 3.4Å
58	K	86.4	Confident	82.3	Confident	155 Å²	155	76.5 Å²	76.5	67%	0.674	39%	0.386	S	S	*	.	S	Bend	trans	-67.1	-38.9	178.8	-65.6	-171	-177.5	178.8	0	111	L29	L29-K58 HydrophobicContact CD1-CB 4.27Å; L29-K58 HydrophobicContact CD1-CG 3.47Å; L29-K58 VanDerWaalsContact CD1-CG 3.47Å; L29-K58 HydrophobicContact CD2-CD 4.08Å; L29-K58 HydrophobicContact CD2-CG 3.71Å; L29-K58 HydrophobicContact CG-CG 4.24Å
59	C	85.7	Confident	82.2	Confident	47 Å²	47	78.2 Å²	78.2	32%	0.318	40%	0.4	S	S	.	.	S	Bend	trans	-151.6	153.1	175.8	63	0	0	0	0	109.5	V57 E71 C73	V57-C59 VanDerWaalsContact C-N 3.32Å; V57-C59 VanDerWaalsContact CG2-O 3.29Å; V57-C59 WeakPolarHBondContact CG2-O 3.4Å; C59-E71 WeakPolarHBondContact CA-O 3.42Å; C59-C73 VanDerWaalsContact C-SG 3.6Å; C59-C73 HydrophobicContact CB-CB 3.87Å; C59-C73 WeakPolarHBondContact CB-SG 3.18Å; C59-C73 WeakPolarHBondContact SG-CB 3.2Å; C59-C73 CovalentContact SG-SG 2.03Å; C59-C73 PolarHBondContact SG-SG 2.9Å
60	L	86.2	Confident	82.2	Confident	1 Å²	1	84 Å²	84	1%	0.005	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-83	134.2	179	-72	133.6	0	0	0	110.4	V46 Q48 D64 K65 C66 E71 C72 C73 C82	V46-L60 HydrophobicContact CB-CD1 3.98Å; V46-L60 HydrophobicContact CB-CG 4.48Å; V46-L60 HydrophobicContact CG2-CD1 3.57Å; V46-L60 HydrophobicContact CG2-CG 3.64Å; Q48-L60 HydrophobicContact CB-CD2 3.9Å; Q48-L60 HydrophobicContact CG-CD2 4.06Å; L60-D64 HydrophobicContact CB-CB 4Å; L60-D64 HydrophobicContact CD2-CB 3.5Å; L60-D64 HydrophobicContact CG-CB 4.37Å; L60-K65 WeakPolarHBondContact CD2-O 3.24Å; L60-C66 HydrophobicContact CD1-CB 4.1Å; L60-E71 HydrophobicContact CD1-CB 3.49Å; L60-E71 VanDerWaalsContact CD1-CB 3.49Å; L60-E71 PolarHBondContact N-O 3.26Å; L60-C72 WeakPolarHBondContact O-CA 3.48Å; L60-C73 PolarHBondContact O-N 3.1Å; L60-C73 VanDerWaalsContact O-N 3.07Å; L60-C73 PolarHBondContact O-SG 3.01Å; L60-C73 VanDerWaalsContact O-SG 3.35Å; L60-C82 WeakPolarHBondContact CB-SG 3.47Å
61	N	84.5	Confident	82.4	Confident	104 Å²	104	79 Å²	79	56%	0.556	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-81.4	165	176.5	-71.5	-17.5	0	0	0	110.5	G63 D64 C82	N61-G63 PolarHBondContact O-N 3.29Å; N61-D64 WeakPolarHBondContact CA-OD2 3.23Å; N61-D64 WeakPolarHBondContact CB-OD2 3.28Å; N61-D64 PolarHBondContact N-OD2 3.35Å; N61-D64 VanDerWaalsContact O-CB 3.23Å; N61-D64 WeakPolarHBondContact O-CB 3.45Å; N61-D64 PolarHBondContact O-N 3.35Å; N61-C82 VanDerWaalsContact O-CB 3.28Å; N61-C82 WeakPolarHBondContact O-CB 3.46Å
62	T	82.2	Confident	82.8	Confident	68 Å²	68	76.5 Å²	76.5	42%	0.417	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	132.6	177.1	-61.8	0	0	0	0	111.9	C82 D84	T62-C82 WeakPolarHBondContact CA-O 3.14Å; T62-D84 WeakPolarHBondContact CB-OD2 3.4Å; T62-D84 VanDerWaalsContact CG2-OD2 3.23Å; T62-D84 WeakPolarHBondContact CG2-OD2 3.23Å; T62-D84 PolarHBondContact OG1-OD1 2.03Å; T62-D84 PolarHBondContact OG1-OD2 2.88Å
63	G	78.9	Confident	83.4	Confident	45 Å²	45	67.9 Å²	67.9	46%	0.464	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-14.8	-175.9	0	0	0	0	0	114.3	N61 C82	N61-G63 PolarHBondContact O-N 3.29Å; G63-C82 PolarHBondContact N-O 3.06Å
64	D	83.6	Confident	83.6	Confident	22 Å²	22	67.2 Å²	67.2	12%	0.118	35%	0.345	C	S	.	.	S	Bend	trans	-77.1	154.3	-179.4	-68.2	-38.3	0	0	0	113.4	Q48 L60 N61 C66 K81 C82	Q48-D64 HydrophobicContact CG-CB 4.27Å; Q48-D64 PolarHBondContact NE2-OD1 2.91Å; Q48-D64 PolarHBondContact NE2-OD2 2.02Å; L60-D64 HydrophobicContact CB-CB 4Å; L60-D64 HydrophobicContact CD2-CB 3.5Å; L60-D64 HydrophobicContact CG-CB 4.37Å; N61-D64 WeakPolarHBondContact CA-OD2 3.23Å; N61-D64 WeakPolarHBondContact CB-OD2 3.28Å; N61-D64 PolarHBondContact N-OD2 3.35Å; N61-D64 VanDerWaalsContact O-CB 3.23Å; N61-D64 WeakPolarHBondContact O-CB 3.45Å; N61-D64 PolarHBondContact O-N 3.35Å; D64-C66 PolarHBondContact O-N 3.07Å; D64-K81 CarbonylContact O-C 3.1Å; D64-K81 VanDerWaalsContact O-CA 3.24Å; D64-K81 WeakPolarHBondContact O-CA 3.06Å; D64-C82 PolarHBondContact O-N 3.07Å
65	K	82.7	Confident	83.6	Confident	127 Å²	127	69.2 Å²	69.2	55%	0.552	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-72.1	111.9	179.3	-69.3	-175.9	-177.2	180	0	111.5	L60 F80	L60-K65 WeakPolarHBondContact CD2-O 3.24Å; K65-F80 WeakPolarHBondContact CA-O 3.48Å
66	C	82.8	Confident	83.5	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.014	36%	0.355	C	S	.	.			trans	-109.6	146.1	177	50.6	0	0	0	0	111.5	L60 D64 C72 C77 F80 K81 C82	L60-C66 HydrophobicContact CD1-CB 4.1Å; D64-C66 PolarHBondContact O-N 3.07Å; C66-C72 VanDerWaalsContact CB-SG 3.57Å; C66-C72 VanDerWaalsContact SG-SG 3.69Å; C66-C77 VanDerWaalsContact C-SG 3.56Å; C66-C77 HydrophobicContact CB-CB 3.78Å; C66-C77 WeakPolarHBondContact CB-SG 3.35Å; C66-C77 PolarHBondContact O-SG 2.92Å; C66-C77 WeakPolarHBondContact SG-CA 3.4Å; C66-C77 WeakPolarHBondContact SG-CB 3Å; C66-C77 CovalentContact SG-SG 2.01Å; C66-C77 PolarHBondContact SG-SG 3.31Å; C66-F80 PolarHBondContact N-O 2.89Å; C66-F80 VanDerWaalsContact N-O 3.1Å; C66-F80 WeakPolarHBondContact O-CA 3.4Å; C66-F80 VanDerWaalsContact SG-C 3.56Å; C66-K81 PolarHBondContact SG-N 2.85Å; C66-K81 VanDerWaalsContact SG-N 3.41Å; C66-C82 VanDerWaalsContact CB-SG 3.56Å; C66-C82 PolarHBondContact SG-N 3.44Å
67	L	82.2	Confident	83.3	Confident	138 Å²	138	67.6 Å²	67.6	72%	0.723	36%	0.363	S	S	*	.	S	Bend	trans	-97.6	-37.3	170.8	-69.8	164.7	0	0	0	110.6	E71	L67-E71 WeakPolarHBondContact CB-OE2 2.91Å; L67-E71 PolarHBondContact N-OE2 2.03Å
68	K	82.2	Confident	83.2	Confident	121 Å²	121	69.6 Å²	69.6	53%	0.526	38%	0.375	S	S	.	.	S	Bend	trans	-128.6	144.1	179.3	-63.2	174	-178.1	177.6	0	110.9	K70 E71	K68-K70 HydrophobicContact CB-CG 4.07Å; K68-K70 PolarHBondContact O-N 2.01Å; K68-K70 VanDerWaalsContact O-N 3.17Å; K68-E71 HydrophobicContact CB-CG 3.94Å; K68-E71 PolarHBondContact N-OE2 3.23Å; K68-E71 VanDerWaalsContact O-CB 3.24Å; K68-E71 WeakPolarHBondContact O-CB 3.04Å; K68-E71 WeakPolarHBondContact O-CG 3.45Å; K68-E71 PolarHBondContact O-N 3.41Å
69	S	81.7	Confident	83.2	Confident	57 Å²	57	68.9 Å²	68.9	40%	0.399	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-56	-34.9	179.3	-60.9	0	0	0	0	113.9	E71 C72 G75 R76 C77	S69-E71 PolarHBondContact O-N 3.32Å; S69-C72 PolarHBondContact O-N 2.98Å; S69-G75 WeakPolarHBondContact CB-O 3.24Å; S69-G75 CarbonylContact O-C 3.48Å; S69-G75 WeakPolarHBondContact O-CA 3.02Å; S69-R76 PolarHBondContact O-N 3.47Å; S69-C77 PolarHBondContact OG-N 2.93Å
70	K	80.9	Confident	83.1	Confident	170 Å²	170	73.2 Å²	73.2	74%	0.739	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-68.3	-10.8	177.3	65	171.2	-174.9	165	0	115.1	K68	K68-K70 HydrophobicContact CB-CG 4.07Å; K68-K70 PolarHBondContact O-N 2.01Å; K68-K70 VanDerWaalsContact O-N 3.17Å
71	E	80.5	Confident	83	Confident	36 Å²	36	78.8 Å²	78.8	17%	0.168	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-83.9	-24.8	179.3	-61.1	174	173.1	0	0	111.1	V46 C59 L60 L67 K68 S69	V46-E71 HydrophobicContact CB-CB 4.37Å; V46-E71 HydrophobicContact CG1-CB 3.68Å; V46-E71 HydrophobicContact CG1-CG 3.62Å; C59-E71 WeakPolarHBondContact CA-O 3.42Å; L60-E71 HydrophobicContact CD1-CB 3.49Å; L60-E71 VanDerWaalsContact CD1-CB 3.49Å; L60-E71 PolarHBondContact N-O 3.26Å; L67-E71 WeakPolarHBondContact CB-OE2 2.91Å; L67-E71 PolarHBondContact N-OE2 2.03Å; K68-E71 HydrophobicContact CB-CG 3.94Å; K68-E71 PolarHBondContact N-OE2 3.23Å; K68-E71 VanDerWaalsContact O-CB 3.24Å; K68-E71 WeakPolarHBondContact O-CB 3.04Å; K68-E71 WeakPolarHBondContact O-CG 3.45Å; K68-E71 PolarHBondContact O-N 3.41Å; S69-E71 PolarHBondContact O-N 3.32Å
72	C	84.2	Confident	83	Confident	6 Å²	6	74 Å²	74	4%	0.041	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-75.3	139.8	173.8	-56.6	0	0	0	0	110.4	L60 C66 S69 N74 G75 R76 C82	L60-C72 WeakPolarHBondContact O-CA 3.48Å; C66-C72 VanDerWaalsContact CB-SG 3.57Å; C66-C72 VanDerWaalsContact SG-SG 3.69Å; S69-C72 PolarHBondContact O-N 2.98Å; C72-N74 PolarHBondContact O-N 3.41Å; C72-G75 PolarHBondContact O-N 2.84Å; C72-R76 PolarHBondContact SG-O 3.17Å; C72-C82 VanDerWaalsContact CA-SG 3.52Å; C72-C82 HydrophobicContact CB-CB 3.75Å; C72-C82 WeakPolarHBondContact CB-SG 3.48Å; C72-C82 WeakPolarHBondContact SG-CA 3.14Å; C72-C82 WeakPolarHBondContact SG-CB 3.16Å; C72-C82 CovalentContact SG-SG 2.03Å; C72-C82 PolarHBondContact SG-SG 3.02Å
73	C	84.6	Confident	83	Confident	59 Å²	59	74.3 Å²	74.3	40%	0.399	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.3	174.7	-45.5	0	0	0	0	111.6	C59 L60	C59-C73 VanDerWaalsContact C-SG 3.6Å; C59-C73 HydrophobicContact CB-CB 3.87Å; C59-C73 WeakPolarHBondContact CB-SG 3.18Å; C59-C73 WeakPolarHBondContact SG-CB 3.2Å; C59-C73 CovalentContact SG-SG 2.03Å; C59-C73 PolarHBondContact SG-SG 2.9Å; L60-C73 PolarHBondContact O-N 3.1Å; L60-C73 VanDerWaalsContact O-N 3.07Å; L60-C73 PolarHBondContact O-SG 3.01Å; L60-C73 VanDerWaalsContact O-SG 3.35Å
74	N	82.4	Confident	83	Confident	59 Å²	59	75.7 Å²	75.7	32%	0.316	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.7	179.7	-69.1	40.4	0	0	0	114.5	C72 R76 D84	C72-N74 PolarHBondContact O-N 3.41Å; N74-R76 VanDerWaalsContact C-N 3.29Å; N74-R76 PolarHBondContact O-N 3.07Å; N74-D84 PolarHBondContact ND2-OD1 3.08Å
75	G	83.1	Confident	82.2	Confident	44 Å²	44	81.8 Å²	81.8	45%	0.454	41%	0.408	S	S	.	.	S	Bend	trans	70	18.7	179.5	0	0	0	0	0	114.9	S69 C72	S69-G75 WeakPolarHBondContact CB-O 3.24Å; S69-G75 CarbonylContact O-C 3.48Å; S69-G75 WeakPolarHBondContact O-CA 3.02Å; C72-G75 PolarHBondContact O-N 2.84Å
76	R	83.4	Confident	81.1	Confident	103 Å²	103	78 Å²	78	39%	0.389	41%	0.405	S	S	.	.			trans	-135	106.5	-175.4	-177.6	-177.5	-75	-177.1	-3.7	111.4	S69 C72 N74 V78 C82 K83	S69-R76 PolarHBondContact O-N 3.47Å; C72-R76 PolarHBondContact SG-O 3.17Å; N74-R76 VanDerWaalsContact C-N 3.29Å; N74-R76 PolarHBondContact O-N 3.07Å; R76-V78 HydrophobicContact CG-CG2 3.84Å; R76-C82 WeakPolarHBondContact O-CA 3.44Å; R76-K83 PolarHBondContact O-N 3.34Å
77	C	84.2	Confident	79.9	Confident	25 Å²	25	85.7 Å²	85.7	17%	0.169	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.8	171.3	-174	0	0	0	0	109.5	C66 S69	C66-C77 VanDerWaalsContact C-SG 3.56Å; C66-C77 HydrophobicContact CB-CB 3.78Å; C66-C77 WeakPolarHBondContact CB-SG 3.35Å; C66-C77 PolarHBondContact O-SG 2.92Å; C66-C77 WeakPolarHBondContact SG-CA 3.4Å; C66-C77 WeakPolarHBondContact SG-CB 3Å; C66-C77 CovalentContact SG-SG 2.01Å; C66-C77 PolarHBondContact SG-SG 3.31Å; S69-C77 PolarHBondContact OG-N 2.93Å
78	V	84.8	Confident	78.3	Confident	72 Å²	72	82.3 Å²	82.3	44%	0.436	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.3	178.9	179.7	0	0	0	0	108.4	R76 F80 K81	R76-V78 HydrophobicContact CG-CG2 3.84Å; V78-F80 VanDerWaalsContact C-N 3.29Å; V78-F80 PolarHBondContact O-N 3.36Å; V78-K81 PolarHBondContact N-O 3.46Å; V78-K81 PolarHBondContact O-N 3.33Å
79	L	86.6	Confident	76.8	Confident	140 Å²	140	84.5 Å²	84.5	73%	0.733	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	46.9	-178.4	-164.6	68.6	0	0	0	112.1	K81	L79-K81 PolarHBondContact O-N 2.56Å
80	F	82.7	Confident	75.3	Confident	139 Å²	139	87.6 Å²	87.6	61%	0.61	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	23.4	-174.7	-58.6	-83.3	0	0	0	114.1	K65 C66 V78	K65-F80 WeakPolarHBondContact CA-O 3.48Å; C66-F80 PolarHBondContact N-O 2.89Å; C66-F80 VanDerWaalsContact N-O 3.1Å; C66-F80 WeakPolarHBondContact O-CA 3.4Å; C66-F80 VanDerWaalsContact SG-C 3.56Å; V78-F80 VanDerWaalsContact C-N 3.29Å; V78-F80 PolarHBondContact O-N 3.36Å
81	K	84.6	Confident	74	Confident	117 Å²	117	84.4 Å²	84.4	51%	0.509	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.1	176.4	-69.9	-178.4	179.7	177.6	0	111.4	D64 C66 V78 L79 K83	D64-K81 CarbonylContact O-C 3.1Å; D64-K81 VanDerWaalsContact O-CA 3.24Å; D64-K81 WeakPolarHBondContact O-CA 3.06Å; C66-K81 PolarHBondContact SG-N 2.85Å; C66-K81 VanDerWaalsContact SG-N 3.41Å; V78-K81 PolarHBondContact N-O 3.46Å; V78-K81 PolarHBondContact O-N 3.33Å; L79-K81 PolarHBondContact O-N 2.56Å; K81-K83 PolarHBondContact O-N 2.93Å
82	C	84.3	Confident	72.6	Confident	5 Å²	5	89.4 Å²	89.4	3%	0.034	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	132.7	171.9	-67.7	0	0	0	0	109.5	L60 N61 T62 G63 D64 C66 C72 R76	L60-C82 WeakPolarHBondContact CB-SG 3.47Å; N61-C82 VanDerWaalsContact O-CB 3.28Å; N61-C82 WeakPolarHBondContact O-CB 3.46Å; T62-C82 WeakPolarHBondContact CA-O 3.14Å; G63-C82 PolarHBondContact N-O 3.06Å; D64-C82 PolarHBondContact O-N 3.07Å; C66-C82 VanDerWaalsContact CB-SG 3.56Å; C66-C82 PolarHBondContact SG-N 3.44Å; C72-C82 VanDerWaalsContact CA-SG 3.52Å; C72-C82 HydrophobicContact CB-CB 3.75Å; C72-C82 WeakPolarHBondContact CB-SG 3.48Å; C72-C82 WeakPolarHBondContact SG-CA 3.14Å; C72-C82 WeakPolarHBondContact SG-CB 3.16Å; C72-C82 CovalentContact SG-SG 2.03Å; C72-C82 PolarHBondContact SG-SG 3.02Å; R76-C82 WeakPolarHBondContact O-CA 3.44Å
83	K	82.6	Confident	71.1	Confident	73 Å²	73	97 Å²	97	32%	0.317	53%	0.526	S	S	.	.			trans	-126.4	134.4	-178.3	-161	172.7	-171	171.2	0	110.6	R76 K81 K89	R76-K83 PolarHBondContact O-N 3.34Å; K81-K83 PolarHBondContact O-N 2.93Å; K83-K89 WeakPolarHBondContact CE-O 3.49Å; K83-K89 PolarHBondContact NZ-O 2.65Å
84	D	78.6	Confident	69.5	Low	74 Å²	74	105.6 Å²	105.6	40%	0.396	55%	0.55	S	S	.	*			trans	-60.5	152.7	173.1	-83.8	-65.4	0	0	0	112.1	T62 N74 G86	T62-D84 WeakPolarHBondContact CB-OD2 3.4Å; T62-D84 VanDerWaalsContact CG2-OD2 3.23Å; T62-D84 WeakPolarHBondContact CG2-OD2 3.23Å; T62-D84 PolarHBondContact OG1-OD1 2.03Å; T62-D84 PolarHBondContact OG1-OD2 2.88Å; N74-D84 PolarHBondContact ND2-OD1 3.08Å; D84-G86 PolarHBondContact O-N 2.82Å
85	K	66.3	Low	67.8	Low	150 Å²	150	110 Å²	110	65%	0.652	57%	0.574	S	S	*	*	S	Bend	trans	-76	-9.6	175.8	-76.7	-163.5	-178.2	178.1	0	113
86	G	60.9	Low	66	Low	47 Å²	47	117.1 Å²	117.1	49%	0.485	59%	0.592	S	S	.	*	S	Bend	trans	-126.9	140.9	178	0	0	0	0	0	112	D84	D84-G86 PolarHBondContact O-N 2.82Å
87	I	56.3	Low	64	Low	164 Å²	164	126.3 Å²	126.3	84%	0.841	63%	0.629	S	S	*	*	S	Bend	trans	79.6	83.4	168.3	-46.5	162.2	0	0	0	114.7	K89	I87-K89 PolarHBondContact O-N 2.8Å
88	G	49.2	Very low	62.9	Low	67 Å²	67	131.4 Å²	131.4	69%	0.691	65%	0.652	S	S	*	*				24.4	63.9	124.7	0	0	0	0	0	119
89	K	50.4	Low	61.8	Low	167 Å²	167	134.5 Å²	134.5	73%	0.726	66%	0.664	S	S	*	*			trans	-100.5	84.4	140.6	-60.5	-144.3	-174.1	-174.3	0	107	K83 I87 T91	K83-K89 WeakPolarHBondContact CE-O 3.49Å; K83-K89 PolarHBondContact NZ-O 2.65Å; I87-K89 PolarHBondContact O-N 2.8Å; K89-T91 VanDerWaalsContact C-N 3.28Å; K89-T91 PolarHBondContact O-N 2.87Å; K89-T91 VanDerWaalsContact O-N 3.08Å
90	T	50.8	Low	60.4	Low	122 Å²	122	134.2 Å²	134.2	75%	0.748	66%	0.66	S	S	*	*			trans	-50.4	106.7	145.9	44.5	0	0	0	0	104.8	N92	T90-N92 PolarHBondContact O-N 3.43Å
91	T	54.6	Low	59.1	Low	103 Å²	103	133.9 Å²	133.9	63%	0.632	66%	0.663	S	S	*	*			trans	-59.2	101.3	164.7	-0	0	0	0	0	104.3	K89 H93	K89-T91 VanDerWaalsContact C-N 3.28Å; K89-T91 PolarHBondContact O-N 2.87Å; K89-T91 VanDerWaalsContact O-N 3.08Å; T91-H93 PolarHBondContact O-N 2.83Å
92	N	49.6	Very low	57.5	Low	141 Å²	141	134.9 Å²	134.9	75%	0.754	67%	0.672	S	S	*	*			trans	-63.3	88.5	173.3	-171.6	-15.3	0	0	0	106.4	T90	T90-N92 PolarHBondContact O-N 3.43Å
93	H	52.2	Low	55.7	Low	165 Å²	165	143.6 Å²	143.6	76%	0.764	72%	0.715	S	S	*	*			trans	-127.9	25.4	176.3	-120.1	-69.8	0	0	0	110.8	T91 N95	T91-H93 PolarHBondContact O-N 2.83Å; H93-N95 VanDerWaalsContact C-N 3.32Å
94	R	51.1	Low	53.8	Low	240 Å²	240	148.6 Å²	148.6	91%	0.906	74%	0.743	S	S	*	*			trans	-98.5	67.4	159	-86.1	-168.2	-81.7	-177.6	-5.1	108.6
95	N	46.8	Very low	51.9	Low	151 Å²	151	154.4 Å²	154.4	81%	0.807	77%	0.77	S	S	*	*			trans	-121.3	81.6	151.9	-159	10.4	0	0	0	105.4	H93	H93-N95 VanDerWaalsContact C-N 3.32Å
96	K	45.5	Very low	50.7	Low	194 Å²	194	154.8 Å²	154.8	84%	0.843	78%	0.78	S	S	*	*			trans	-121.8	100.2	170.4	-151.3	-166.1	-171	-144.6	0	104.7
97	Y	41.1	Very low	49.8	Very low	296 Å²	296	164.5 Å²	164.5	100%	1.161	81%	0.807	S	S	*	*			trans	12	0	159.9	-68.8	-91.2	0	0	0	117.2

Retrieved 97 of 97 residues in 96.5 ms (Link to these results)

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