G4VQL5_SCHMA Loading...

Putative lipopolysaccharide-induced transcription factor regulating tumor necrosis factor alpha

AlphaFold DB , UniProt , Accession G4VQL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 112 aa.

						>G4VQL5_SCHMA|G4VQL5
MGLQQEPMLSDKIDQNKETPVVTSQPVTIVPLQDHSTTLKCPNCHQEIVTKIKHRNGMLTYVACTGLCLVGCFCGCCLIPFCVKACKDVDHKCPECGHHIGTYRMLQEKYMK
					

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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	42	Very low	45.2	Very low	245 Å²	245	142 Å²	142	100%	1.207	76%	0.763	S	S	*	*				0	104.5	0	-74.9	164.7	175.9	0	0	107	L3	M1-L3 PolarHBondContact O-N 3.08Å
2	G	35	Very low	45	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	76%	0.764	S	S	*	*			trans	-74.1	111.1	177.2	0	0	0	0	0	109
3	L	51.6	Low	44.9	Very low	162 Å²	162	142.8 Å²	142.8	85%	0.848	75%	0.752	S	S	*	*			trans	-111.7	106.8	151.8	-75.2	174.6	0	0	0	105	M1 Q5	M1-L3 PolarHBondContact O-N 3.08Å; L3-Q5 PolarHBondContact O-N 2.91Å; L3-Q5 VanDerWaalsContact O-N 3.1Å
4	Q	40.4	Very low	44.9	Very low	184 Å²	184	141.5 Å²	141.5	86%	0.86	75%	0.745	S	S	*	*			trans	-45.8	114.1	178.4	-64.2	144.5	-93.3	0	0	108.8
5	Q	58.7	Low	45.2	Very low	180 Å²	180	144.3 Å²	144.3	84%	0.841	75%	0.753	S	S	*	*			trans	-65	132.9	154.1	-76.8	163.7	-107.5	0	0	106.3	L3	L3-Q5 PolarHBondContact O-N 2.91Å; L3-Q5 VanDerWaalsContact O-N 3.1Å
6	E	49	Very low	45.5	Very low	191 Å²	191	143 Å²	143	89%	0.893	75%	0.747	S	S	*	*			trans	-138	133.8	133.8	-71.8	-146.1	100.6	0	0	110.8
7	P	46.2	Very low	45.5	Very low	94 Å²	94	145.8 Å²	145.8	61%	0.61	75%	0.752	S	S	*	*			trans	-103.5	-166.3	-169.6	34.4	-16.4	0	0	0	110.9
8	M	38.3	Very low	45.2	Very low	143 Å²	143	146.7 Å²	146.7	70%	0.704	75%	0.752	S	S	*	*			trans	98.4	103.5	161.1	-53.5	-67.5	98.4	0	0	114
9	L	44.6	Very low	44.8	Very low	149 Å²	149	145.9 Å²	145.9	78%	0.78	76%	0.755	S	S	*	*				63.7	103.9	81.9	-177.1	77.7	0	0	0	110.2
10	S	44.4	Very low	45	Very low	83 Å²	83	143.9 Å²	143.9	58%	0.58	75%	0.751	S	S	*	*				173.9	79	124.2	179	0	0	0	0	111.1
11	D	47.1	Very low	44.8	Very low	56 Å²	56	143.4 Å²	143.4	30%	0.299	75%	0.754	S	S	.	*			trans	-99.3	73.5	148.2	-76.8	-131.6	0	0	0	107.8	I13 R55	D11-I13 PolarHBondContact O-N 3.42Å; D11-R55 VanDerWaalsContact CG-CD 3.48Å; D11-R55 WeakPolarHBondContact OD1-CD 3.47Å; D11-R55 IonicContact OD1-CZ 3.01Å; D11-R55 IonicContact OD1-NE 3.15Å; D11-R55 PolarHBondContact OD1-NE 3.27Å; D11-R55 VanDerWaalsContact OD1-NE 3.15Å; D11-R55 IonicContact OD1-NH1 2.53Å; D11-R55 PolarHBondContact OD1-NH1 2.93Å; D11-R55 WeakPolarHBondContact OD2-CA 2.99Å; D11-R55 VanDerWaalsContact OD2-CB 3.27Å; D11-R55 WeakPolarHBondContact OD2-CB 3.42Å; D11-R55 VanDerWaalsContact OD2-CD 3.31Å; D11-R55 WeakPolarHBondContact OD2-CD 3.17Å; D11-R55 WeakPolarHBondContact OD2-CG 3.09Å; D11-R55 IonicContact OD2-CZ 3.57Å; D11-R55 IonicContact OD2-NE 3.3Å; D11-R55 PolarHBondContact OD2-NE 2.83Å; D11-R55 IonicContact OD2-NH1 3.84Å
12	K	42.5	Very low	45.4	Very low	177 Å²	177	135.8 Å²	135.8	77%	0.77	72%	0.721	S	S	*	*			trans	-62.7	114.1	139.1	-102.2	-171.2	175	-169.9	0	104.9	D14	K12-D14 PolarHBondContact O-N 3.14Å
13	I	44.3	Very low	46	Very low	118 Å²	118	136.5 Å²	136.5	61%	0.605	71%	0.711	S	S	*	*			trans	-62.3	90.8	152.1	-61.8	167.7	0	0	0	104.3	D11 Q15 M58	D11-I13 PolarHBondContact O-N 3.42Å; I13-Q15 HydrophobicContact CG2-CG 4.4Å; I13-M58 HydrophobicContact CD1-SD 3.91Å
14	D	44.9	Very low	45.6	Very low	124 Å²	124	134.4 Å²	134.4	66%	0.663	71%	0.71	S	S	*	*			trans	-103.3	91.3	151.4	-168.1	-103	0	0	0	105.6	K12 N16	K12-D14 PolarHBondContact O-N 3.14Å; D14-N16 PolarHBondContact O-N 2.97Å; D14-N16 PolarHBondContact OD1-N 3.35Å
15	Q	49.5	Very low	45.9	Very low	184 Å²	184	128.9 Å²	128.9	86%	0.86	68%	0.684	S	S	*	*			trans	-66.8	85.2	151.8	-82.7	-174.1	-5.8	0	0	106.6	I13	I13-Q15 HydrophobicContact CG2-CG 4.4Å
16	N	50.1	Low	45.4	Very low	123 Å²	123	126.1 Å²	126.1	66%	0.658	68%	0.682	S	S	*	*			trans	-169.4	82.1	140	-168.4	28.9	0	0	0	111.1	D14	D14-N16 PolarHBondContact O-N 2.97Å; D14-N16 PolarHBondContact OD1-N 3.35Å
17	K	44.6	Very low	45.7	Very low	191 Å²	191	122.9 Å²	122.9	83%	0.83	67%	0.674	S	S	*	*	S	Bend	trans	-154.7	131.1	140.2	-140.5	177.9	-179.3	-164.8	0	111.1
18	E	39.9	Very low	46.1	Very low	162 Å²	162	124.1 Å²	124.1	76%	0.757	68%	0.68	S	S	*	*			trans	-44.9	140	-171.9	-64	131.9	94.3	0	0	114.2	P20	E18-P20 VanDerWaalsContact O-CD 3.31Å; E18-P20 WeakPolarHBondContact O-CD 2.87Å
19	T	39.1	Very low	47.1	Very low	132 Å²	132	124.3 Å²	124.3	81%	0.81	68%	0.683	S	S	*	*			trans	-42.3	116.6	167.6	-27.8	0	0	0	0	111.6
20	P	47.2	Very low	48	Very low	104 Å²	104	119.4 Å²	119.4	68%	0.675	66%	0.659	S	S	*	*			trans	-85.3	116.6	153	29.7	-20.8	0	0	0	107	E18 V22	E18-P20 VanDerWaalsContact O-CD 3.31Å; E18-P20 WeakPolarHBondContact O-CD 2.87Å; P20-V22 PolarHBondContact O-N 2.79Å
21	V	42.7	Very low	48.9	Very low	134 Å²	134	119.5 Å²	119.5	81%	0.812	66%	0.658	S	S	*	*			trans	-48.3	101.5	163.5	176.5	0	0	0	0	108	T23	V21-T23 PolarHBondContact O-N 3.36Å
22	V	53.5	Low	49.9	Very low	85 Å²	85	119.6 Å²	119.6	52%	0.515	66%	0.658	S	S	.	*			trans	-88.6	94	169.7	-175.2	0	0	0	0	107	P20	P20-V22 PolarHBondContact O-N 2.79Å
23	T	47	Very low	51.2	Low	91 Å²	91	115.7 Å²	115.7	56%	0.558	64%	0.642	S	S	*	*			trans	-38.5	131.5	163.4	178.7	0	0	0	0	111.8	V21 Q25	V21-T23 PolarHBondContact O-N 3.36Å; T23-Q25 HydrophobicContact CG2-CG 4.22Å; T23-Q25 PolarHBondContact O-N 2.97Å
24	S	44.3	Very low	52.4	Low	117 Å²	117	112.7 Å²	112.7	82%	0.818	63%	0.628	S	S	*	*			trans	-65.2	95.9	175	52.7	0	0	0	0	110
25	Q	46	Very low	53.9	Low	68 Å²	68	112 Å²	112	32%	0.318	62%	0.62	S	S	.	*			trans	-82.7	146.9	171.3	-53.6	-161.2	76.3	0	0	109.4	T23 V27 H98	T23-Q25 HydrophobicContact CG2-CG 4.22Å; T23-Q25 PolarHBondContact O-N 2.97Å; Q25-V27 PolarHBondContact O-N 2.07Å; Q25-H98 PolarHBondContact NE2-NE2 3.44Å
26	P	49.1	Very low	55.2	Low	123 Å²	123	106.3 Å²	106.3	80%	0.799	60%	0.6	S	S	*	*			trans	-57.7	117.6	-173.6	22.8	-32.8	0	0	0	109.9	T28	P26-T28 VanDerWaalsContact C-N 3.3Å; P26-T28 PolarHBondContact O-N 3.29Å
27	V	54.2	Low	56.6	Low	122 Å²	122	101.6 Å²	101.6	74%	0.739	58%	0.576	S	S	*	*			trans	-61.8	91.6	-178.7	-176.2	0	0	0	0	107.8	Q25 I29	Q25-V27 PolarHBondContact O-N 2.07Å; V27-I29 VanDerWaalsContact C-N 3.31Å; V27-I29 HydrophobicContact CG1-CB 4.38Å; V27-I29 HydrophobicContact CG1-CG1 3.84Å; V27-I29 PolarHBondContact O-N 3.14Å; V27-I29 VanDerWaalsContact O-N 3.09Å
28	T	55.9	Low	58.5	Low	120 Å²	120	96.2 Å²	96.2	74%	0.736	56%	0.559	S	S	*	*			trans	-63.8	110.8	147.8	-56.9	0	0	0	0	103.2	P26 V30	P26-T28 VanDerWaalsContact C-N 3.3Å; P26-T28 PolarHBondContact O-N 3.29Å; T28-V30 HydrophobicContact CG2-CG2 4.18Å; T28-V30 WeakPolarHBondContact O-CG2 3.08Å; T28-V30 PolarHBondContact O-N 2.99Å
29	I	59.2	Low	60.5	Low	147 Å²	147	89.3 Å²	89.3	75%	0.754	53%	0.528	S	S	*	.			trans	-69.7	70.4	-177.5	-48.5	165.8	0	0	0	106.9	V27 P31	V27-I29 VanDerWaalsContact C-N 3.31Å; V27-I29 HydrophobicContact CG1-CB 4.38Å; V27-I29 HydrophobicContact CG1-CG1 3.84Å; V27-I29 PolarHBondContact O-N 3.14Å; V27-I29 VanDerWaalsContact O-N 3.09Å; I29-P31 WeakPolarHBondContact O-CD 3.47Å
30	V	62.9	Low	62.7	Low	47 Å²	47	90 Å²	90	29%	0.285	52%	0.519	S	S	.	.			trans	-76.5	117.2	162.6	-143.3	0	0	0	0	103.5	T28 L32 T37 L39	T28-V30 HydrophobicContact CG2-CG2 4.18Å; T28-V30 WeakPolarHBondContact O-CG2 3.08Å; T28-V30 PolarHBondContact O-N 2.99Å; V30-L32 PolarHBondContact O-N 3.23Å; V30-T37 HydrophobicContact CG1-CG2 3.77Å; V30-L39 HydrophobicContact CG1-CB 4.36Å; V30-L39 HydrophobicContact CG2-CB 4.2Å; V30-L39 HydrophobicContact CG2-CD2 4.3Å
31	P	63.1	Low	64.4	Low	85 Å²	85	85 Å²	85	55%	0.552	49%	0.487	S	S	*	.			trans	-60.1	105.3	174.9	24.6	-31.4	0	0	0	106.6	I29 Q33	I29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-Q33 PolarHBondContact O-N 3.25Å
32	L	67.3	Low	66.2	Low	58 Å²	58	81 Å²	81	30%	0.304	46%	0.464	S	S	.	.			trans	-62.4	123	168.1	-68.3	94.1	0	0	0	105.2	V30 H91 Y103	V30-L32 PolarHBondContact O-N 3.23Å; L32-H91 HydrophobicContact CD2-CB 4.18Å; L32-Y103 HydrophobicContact CB-CD2 4.37Å; L32-Y103 WeakPolarHBondContact O-CD2 3.17Å; L32-Y103 WeakPolarHBondContact O-CE2 3.34Å
33	Q	70.8	Confident	67.6	Low	94 Å²	94	81.1 Å²	81.1	44%	0.439	46%	0.461	S	S	.	.			trans	-107.3	176.3	179.5	-70.4	178.9	-28.7	0	0	108.9	P31 H35 H91	P31-Q33 PolarHBondContact O-N 3.25Å; Q33-H35 PolarHBondContact O-N 3.33Å; Q33-H91 PolarHBondContact O-CE1 2.96Å; Q33-H91 PolarHBondContact O-NE2 3.33Å
34	D	68.3	Low	69.6	Low	56 Å²	56	78.7 Å²	78.7	30%	0.299	45%	0.448	S	S	.	.	S	Bend	trans	-69.3	4.8	169.8	59.4	-31	0	0	0	113.8	V89 Y103	D34-V89 HydrophobicContact CB-CG2 4.34Å; D34-Y103 HydrophobicContact CB-CD1 4.24Å; D34-Y103 HydrophobicContact CB-CE1 4.04Å
35	H	76.4	Confident	71.5	Confident	110 Å²	110	79.3 Å²	79.3	51%	0.509	44%	0.438	S	S	.	.	S	Bend	trans	-127.5	155.8	-176.9	-60	-52.1	0	0	0	112.6	Q33 T37 H91	Q33-H35 PolarHBondContact O-N 3.33Å; H35-T37 PolarHBondContact O-N 3.1Å; H35-H91 PolarHBondContact O-CE1 3.49Å; H35-H91 VanDerWaalsContact O-CE1 3.3Å
36	S	77.4	Confident	73.4	Confident	63 Å²	63	81.4 Å²	81.4	44%	0.441	45%	0.447	S	S	.	.			trans	-59.5	122.7	174.3	54.6	0	0	0	0	110.4	T50	S36-T50 WeakPolarHBondContact CB-O 3.45Å
37	T	79.9	Confident	75.3	Confident	24 Å²	24	82.9 Å²	82.9	15%	0.147	44%	0.443	C	S	.	.			trans	-110.5	142.4	179.1	-93.5	0	0	0	0	109.9	V30 H35 L39 T50	V30-T37 HydrophobicContact CG1-CG2 3.77Å; H35-T37 PolarHBondContact O-N 3.1Å; T37-L39 HydrophobicContact CG2-CB 4.45Å; T37-L39 HydrophobicContact CG2-CD2 4.44Å; T37-T50 PolarHBondContact N-OG1 2.79Å; T37-T50 PolarHBondContact O-N 2.69Å; T37-T50 PolarHBondContact O-OG1 3.37Å
38	T	84.5	Confident	76.8	Confident	78 Å²	78	77.4 Å²	77.4	48%	0.479	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	124	170	-52.1	0	0	0	0	109	E47 I48	T38-E47 HydrophobicContact CG2-CG 3.67Å; T38-E47 WeakPolarHBondContact CG2-OE1 3.29Å; T38-I48 WeakPolarHBondContact CA-O 3.48Å
39	L	81.8	Confident	78.3	Confident	18 Å²	18	75.3 Å²	75.3	9%	0.094	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	165.9	175.7	61.3	78.7	0	0	0	110.1	V30 T37 I48 T50 I100	V30-L39 HydrophobicContact CG1-CB 4.36Å; V30-L39 HydrophobicContact CG2-CB 4.2Å; V30-L39 HydrophobicContact CG2-CD2 4.3Å; T37-L39 HydrophobicContact CG2-CB 4.45Å; T37-L39 HydrophobicContact CG2-CD2 4.44Å; L39-I48 HydrophobicContact CD1-CD1 4.21Å; L39-I48 HydrophobicContact CD1-CG1 4.4Å; L39-I48 PolarHBondContact N-O 3.37Å; L39-I48 WeakPolarHBondContact O-CG1 3.32Å; L39-I48 PolarHBondContact O-N 3.46Å; L39-T50 HydrophobicContact CD1-CG2 4.31Å; L39-T50 HydrophobicContact CD2-CG2 3.61Å; L39-T50 HydrophobicContact CG-CG2 3.78Å; L39-I100 HydrophobicContact CD1-CD1 3.69Å; L39-I100 HydrophobicContact CD2-CD1 4.33Å; L39-I100 HydrophobicContact CD2-CG2 4.16Å; L39-I100 HydrophobicContact CG-CD1 4.46Å
40	K	85.2	Confident	79.5	Confident	146 Å²	146	68.3 Å²	68.3	64%	0.635	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	115.2	170.3	-167.4	175.1	-173.7	176.7	0	108.7	H45	K40-H45 WeakPolarHBondContact CE-O 3.41Å
41	C	83.9	Confident	80.4	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.375	C	S	.	.			trans	-68.1	132	179.7	171.4	0	0	0	0	110.1	N43 C44 H45 Q46 I48 C93 C96	C41-N43 VanDerWaalsContact C-N 3.25Å; C41-N43 PolarHBondContact O-N 3.19Å; C41-N43 PolarHBondContact SG-N 3.1Å; C41-N43 VanDerWaalsContact SG-N 3.37Å; C41-C44 WeakPolarHBondContact CB-SG 3.49Å; C41-C44 VanDerWaalsContact SG-SG 3.7Å; C41-H45 WeakPolarHBondContact O-CA 3.22Å; C41-H45 PolarHBondContact O-N 2.91Å; C41-Q46 PolarHBondContact N-O 2.86Å; C41-I48 HydrophobicContact CB-CD1 3.97Å; C41-I48 HydrophobicContact CB-CG1 3.7Å; C41-C93 VanDerWaalsContact SG-SG 3.6Å; C41-C96 PolarHBondContact SG-SG 2.82Å
42	P	79.6	Confident	81.1	Confident	49 Å²	49	70.7 Å²	70.7	32%	0.318	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.4	-179.9	30	-36.8	0	0	0	113.1	H45	P42-H45 PolarHBondContact O-CE1 3.3Å; P42-H45 PolarHBondContact O-NE2 3.38Å
43	N	83.2	Confident	81.7	Confident	87 Å²	87	73.9 Å²	73.9	47%	0.465	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-48.2	-180	-174.8	77.8	0	0	0	112.3	C41 H98	C41-N43 VanDerWaalsContact C-N 3.25Å; C41-N43 PolarHBondContact O-N 3.19Å; C41-N43 PolarHBondContact SG-N 3.1Å; C41-N43 VanDerWaalsContact SG-N 3.37Å; N43-H98 HydrophobicContact CB-CB 3.96Å
44	C	87.7	Confident	81.6	Confident	40 Å²	40	73.2 Å²	73.2	27%	0.27	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-8.8	179.1	60.8	0	0	0	0	113.9	C41 Q46 C96	C41-C44 WeakPolarHBondContact CB-SG 3.49Å; C41-C44 VanDerWaalsContact SG-SG 3.7Å; C44-Q46 HydrophobicContact CB-CB 4.5Å; C44-Q46 PolarHBondContact O-N 2.95Å; C44-Q46 VanDerWaalsContact O-N 3.08Å; C44-C96 HydrophobicContact CB-CB 4.15Å
45	H	86	Confident	81.5	Confident	131 Å²	131	75 Å²	75	61%	0.606	37%	0.371	S	S	*	.			trans	56.6	19.8	-175.3	-57.2	85	0	0	0	114.2	K40 C41 P42	K40-H45 WeakPolarHBondContact CE-O 3.41Å; C41-H45 WeakPolarHBondContact O-CA 3.22Å; C41-H45 PolarHBondContact O-N 2.91Å; P42-H45 PolarHBondContact O-CE1 3.3Å; P42-H45 PolarHBondContact O-NE2 3.38Å
46	Q	84.9	Confident	80.8	Confident	112 Å²	112	73.3 Å²	73.3	52%	0.523	37%	0.366	S	S	.	.			trans	-103.3	144.8	179.8	-161.2	143.8	17.4	0	0	110.6	C41 C44 I48	C41-Q46 PolarHBondContact N-O 2.86Å; C44-Q46 HydrophobicContact CB-CB 4.5Å; C44-Q46 PolarHBondContact O-N 2.95Å; C44-Q46 VanDerWaalsContact O-N 3.08Å; Q46-I48 HydrophobicContact CB-CG2 4.3Å; Q46-I48 PolarHBondContact O-N 2.81Å
47	E	89.8	Confident	80.2	Confident	153 Å²	153	71.5 Å²	71.5	72%	0.715	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	118.8	170.3	-173.5	174.3	-172.9	0	0	108.8	T38	T38-E47 HydrophobicContact CG2-CG 3.67Å; T38-E47 WeakPolarHBondContact CG2-OE1 3.29Å
48	I	85.2	Confident	79.5	Confident	8 Å²	8	77 Å²	77	4%	0.041	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149	-172.9	56.6	116.8	0	0	0	110	T38 L39 C41 Q46 T50 C93 P94 E95 I100	T38-I48 WeakPolarHBondContact CA-O 3.48Å; L39-I48 HydrophobicContact CD1-CD1 4.21Å; L39-I48 HydrophobicContact CD1-CG1 4.4Å; L39-I48 PolarHBondContact N-O 3.37Å; L39-I48 WeakPolarHBondContact O-CG1 3.32Å; L39-I48 PolarHBondContact O-N 3.46Å; C41-I48 HydrophobicContact CB-CD1 3.97Å; C41-I48 HydrophobicContact CB-CG1 3.7Å; Q46-I48 HydrophobicContact CB-CG2 4.3Å; Q46-I48 PolarHBondContact O-N 2.81Å; I48-T50 HydrophobicContact CD1-CG2 4.14Å; I48-C93 HydrophobicContact CD1-CB 4.14Å; I48-P94 HydrophobicContact CB-CG 4.27Å; I48-E95 HydrophobicContact CG2-CB 4.15Å; I48-E95 HydrophobicContact CG2-CG 3.44Å; I48-E95 VanDerWaalsContact CG2-CG 3.44Å; I48-I100 HydrophobicContact CD1-CD1 3.94Å
49	V	86.7	Confident	78.7	Confident	76 Å²	76	79.5 Å²	79.5	46%	0.461	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	117.8	167.3	-176.3	0	0	0	0	107.8	K51 P94	V49-K51 PolarHBondContact O-N 3.09Å; V49-P94 VanDerWaalsContact O-CD 3.29Å; V49-P94 WeakPolarHBondContact O-CD 3.46Å; V49-P94 VanDerWaalsContact O-CG 3.32Å; V49-P94 WeakPolarHBondContact O-CG 3.4Å
50	T	84.6	Confident	78.1	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-62.9	130.5	178.2	62.7	0	0	0	0	110.4	S36 T37 L39 I48 I52 H91 K92 I100	S36-T50 WeakPolarHBondContact CB-O 3.45Å; T37-T50 PolarHBondContact N-OG1 2.79Å; T37-T50 PolarHBondContact O-N 2.69Å; T37-T50 PolarHBondContact O-OG1 3.37Å; L39-T50 HydrophobicContact CD1-CG2 4.31Å; L39-T50 HydrophobicContact CD2-CG2 3.61Å; L39-T50 HydrophobicContact CG-CG2 3.78Å; I48-T50 HydrophobicContact CD1-CG2 4.14Å; T50-I52 PolarHBondContact O-N 3.06Å; T50-H91 HydrophobicContact CG2-CB 4.34Å; T50-H91 PolarHBondContact OG1-ND1 3.4Å; T50-K92 CarbonylContact C-O 3.59Å; T50-K92 WeakPolarHBondContact CA-O 3.33Å; T50-I100 HydrophobicContact CG2-CD1 3.7Å
51	K	82.5	Confident	77.5	Confident	134 Å²	134	80.7 Å²	80.7	58%	0.583	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.2	167.6	-75.9	179.5	174.9	169.2	0	108.9	V49 K92 P94	V49-K51 PolarHBondContact O-N 3.09Å; K51-K92 PolarHBondContact N-O 3.01Å; K51-K92 PolarHBondContact O-N 2.87Å; K51-P94 HydrophobicContact CD-CB 3.9Å; K51-P94 HydrophobicContact CG-CB 4.11Å
52	I	78.2	Confident	77.1	Confident	47 Å²	47	85 Å²	85	24%	0.241	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	145.7	175	60.7	173.1	0	0	0	111.3	T50 V89 D90 H91	T50-I52 PolarHBondContact O-N 3.06Å; I52-V89 HydrophobicContact CB-CG1 3.56Å; I52-V89 HydrophobicContact CD1-CG1 4.35Å; I52-V89 HydrophobicContact CG2-CG1 3.66Å; I52-D90 CarbonylContact C-O 3.48Å; I52-D90 VanDerWaalsContact CA-O 3.26Å; I52-D90 WeakPolarHBondContact CA-O 3.36Å; I52-H91 VanDerWaalsContact CG2-CE1 3.42Å; I52-H91 WeakPolarHBondContact CG2-CE1 3.43Å
53	K	78.2	Confident	76.9	Confident	126 Å²	126	84.4 Å²	84.4	55%	0.548	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.2	166.9	-64.3	-169.3	177	-165.6	0	109.4	V89 D90	K53-V89 CarbonylContact O-C 3.54Å; K53-V89 WeakPolarHBondContact O-CA 3.31Å; K53-D90 HydrophobicContact CB-CB 4.35Å; K53-D90 PolarHBondContact N-O 2.78Å; K53-D90 PolarHBondContact O-N 2.82Å
54	H	69.9	Low	76.4	Confident	80 Å²	80	81.9 Å²	81.9	37%	0.37	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.6	174.9	-63	-77.4	0	0	0	110.1	D88 V89	H54-D88 CarbonylContact C-O 3.45Å; H54-D88 WeakPolarHBondContact CA-O 3.28Å; H54-V89 WeakPolarHBondContact ND1-CG2 3.42Å
55	R	65.2	Low	76	Confident	94 Å²	94	82.6 Å²	82.6	36%	0.355	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120	165.2	-70.6	-153	147.8	-134.4	-2.6	109.2	D11 D88	D11-R55 VanDerWaalsContact CG-CD 3.48Å; D11-R55 WeakPolarHBondContact OD1-CD 3.47Å; D11-R55 IonicContact OD1-CZ 3.01Å; D11-R55 IonicContact OD1-NE 3.15Å; D11-R55 PolarHBondContact OD1-NE 3.27Å; D11-R55 VanDerWaalsContact OD1-NE 3.15Å; D11-R55 IonicContact OD1-NH1 2.53Å; D11-R55 PolarHBondContact OD1-NH1 2.93Å; D11-R55 WeakPolarHBondContact OD2-CA 2.99Å; D11-R55 VanDerWaalsContact OD2-CB 3.27Å; D11-R55 WeakPolarHBondContact OD2-CB 3.42Å; D11-R55 VanDerWaalsContact OD2-CD 3.31Å; D11-R55 WeakPolarHBondContact OD2-CD 3.17Å; D11-R55 WeakPolarHBondContact OD2-CG 3.09Å; D11-R55 IonicContact OD2-CZ 3.57Å; D11-R55 IonicContact OD2-NE 3.3Å; D11-R55 PolarHBondContact OD2-NE 2.83Å; D11-R55 IonicContact OD2-NH1 3.84Å; R55-D88 HydrophobicContact CB-CB 4.34Å; R55-D88 PolarHBondContact N-O 2.82Å; R55-D88 PolarHBondContact O-N 3.25Å; R55-D88 VanDerWaalsContact O-N 3.13Å
56	N	63.4	Low	75.8	Confident	73 Å²	73	77.8 Å²	77.8	39%	0.39	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.8	165.5	-69	35.9	0	0	0	107.4	K87	N56-K87 WeakPolarHBondContact OD1-CE 3.15Å
57	G	63.8	Low	75.3	Confident	25 Å²	25	75.6 Å²	75.6	26%	0.258	39%	0.389	S	S	.	.			trans	-63.8	155.8	176.5	0	0	0	0	0	112.4	L59 T60	G57-L59 PolarHBondContact O-N 3.47Å; G57-T60 WeakPolarHBondContact O-CB 2.88Å; G57-T60 PolarHBondContact O-N 3.07Å; G57-T60 PolarHBondContact O-OG1 3.34Å
58	M	65.5	Low	74.6	Confident	141 Å²	141	72 Å²	72	70%	0.695	38%	0.38	S	S	*	.	H	α-helix	trans	-50.2	-29.2	173.1	-69.4	172.9	72	0	0	112.5	I13 T60 Y61 V62	I13-M58 HydrophobicContact CD1-SD 3.91Å; M58-T60 PolarHBondContact O-N 3.04Å; M58-Y61 WeakPolarHBondContact O-CB 3.39Å; M58-Y61 PolarHBondContact O-N 2.88Å; M58-V62 WeakPolarHBondContact O-CG2 3.26Å; M58-V62 PolarHBondContact O-N 2.87Å
59	L	67.4	Low	74.3	Confident	129 Å²	129	78.3 Å²	78.3	68%	0.675	41%	0.413	S	S	*	.	H	α-helix	trans	-55	-36	174.3	-63.3	178.4	0	0	0	113.1	G57 Y61 V62 A63	G57-L59 PolarHBondContact O-N 3.47Å; L59-Y61 VanDerWaalsContact C-N 3.32Å; L59-Y61 PolarHBondContact O-N 2.86Å; L59-V62 PolarHBondContact O-N 3.24Å; L59-A63 WeakPolarHBondContact O-CB 3.44Å; L59-A63 PolarHBondContact O-N 2.8Å
60	T	68.6	Low	73.9	Confident	11 Å²	11	80.7 Å²	80.7	7%	0.067	43%	0.428	C	S	.	.	H	α-helix	trans	-63.4	-41.9	177	-51	0	0	0	0	110.8	G57 M58 C64 V83	G57-T60 WeakPolarHBondContact O-CB 2.88Å; G57-T60 PolarHBondContact O-N 3.07Å; G57-T60 PolarHBondContact O-OG1 3.34Å; M58-T60 PolarHBondContact O-N 3.04Å; T60-C64 WeakPolarHBondContact O-CB 3.34Å; T60-C64 PolarHBondContact O-N 2.76Å; T60-C64 PolarHBondContact O-SG 2.83Å; T60-C64 VanDerWaalsContact O-SG 3.34Å; T60-V83 HydrophobicContact CG2-CB 4.13Å; T60-V83 HydrophobicContact CG2-CG1 4.05Å; T60-V83 HydrophobicContact CG2-CG2 3.75Å
61	Y	72.9	Confident	73.3	Confident	178 Å²	178	81.9 Å²	81.9	70%	0.698	44%	0.44	S	S	*	.	H	α-helix	trans	-69	-43.2	177.7	-176.7	-96.9	0	0	0	111.8	M58 L59 C64 T65	M58-Y61 WeakPolarHBondContact O-CB 3.39Å; M58-Y61 PolarHBondContact O-N 2.88Å; L59-Y61 VanDerWaalsContact C-N 3.32Å; L59-Y61 PolarHBondContact O-N 2.86Å; Y61-C64 PolarHBondContact O-N 2.6Å; Y61-T65 WeakPolarHBondContact O-CB 3.41Å; Y61-T65 PolarHBondContact O-N 3.15Å; Y61-T65 PolarHBondContact O-OG1 3.44Å
62	V	76.7	Confident	72.4	Confident	91 Å²	91	81 Å²	81	55%	0.552	45%	0.449	S	S	*	.	H	α-helix	trans	-63.2	-43	176.5	175.7	0	0	0	0	110.8	M58 L59 T65 G66	M58-V62 WeakPolarHBondContact O-CG2 3.26Å; M58-V62 PolarHBondContact O-N 2.87Å; L59-V62 PolarHBondContact O-N 3.24Å; V62-T65 PolarHBondContact O-N 2.92Å; V62-G66 PolarHBondContact O-N 3.37Å
63	A	74.2	Confident	71.6	Confident	36 Å²	36	88.4 Å²	88.4	30%	0.298	48%	0.48	S	S	.	.	H	α-helix	trans	-64.6	-45.8	177.4	0	0	0	0	0	111.8	L59 T65 G66 L67	L59-A63 WeakPolarHBondContact O-CB 3.44Å; L59-A63 PolarHBondContact O-N 2.8Å; A63-T65 VanDerWaalsContact C-N 3.33Å; A63-T65 PolarHBondContact O-N 3.43Å; A63-G66 PolarHBondContact O-N 3.43Å; A63-L67 VanDerWaalsContact O-CB 3.31Å; A63-L67 WeakPolarHBondContact O-CB 3.33Å; A63-L67 VanDerWaalsContact O-CG 3.29Å; A63-L67 WeakPolarHBondContact O-CG 3.08Å; A63-L67 PolarHBondContact O-N 3.08Å
64	C	73	Confident	70.5	Confident	35 Å²	35	87.9 Å²	87.9	24%	0.236	49%	0.491	C	S	.	.	H	α-helix	trans	-58.9	-45.2	173.4	-76.4	0	0	0	0	111.7	T60 Y61 C68	T60-C64 WeakPolarHBondContact O-CB 3.34Å; T60-C64 PolarHBondContact O-N 2.76Å; T60-C64 PolarHBondContact O-SG 2.83Å; T60-C64 VanDerWaalsContact O-SG 3.34Å; Y61-C64 PolarHBondContact O-N 2.6Å; C64-C68 WeakPolarHBondContact O-CB 3.39Å; C64-C68 PolarHBondContact O-N 2.8Å; C64-C68 PolarHBondContact O-SG 3.13Å; C64-C68 VanDerWaalsContact O-SG 3.34Å
65	T	80	Confident	70	Confident	55 Å²	55	86.7 Å²	86.7	34%	0.337	50%	0.5	S	S	.	.	H	α-helix	trans	-65	-46.6	179.1	-55.2	0	0	0	0	111.1	Y61 V62 A63 L67 C68 L69	Y61-T65 WeakPolarHBondContact O-CB 3.41Å; Y61-T65 PolarHBondContact O-N 3.15Å; Y61-T65 PolarHBondContact O-OG1 3.44Å; V62-T65 PolarHBondContact O-N 2.92Å; A63-T65 VanDerWaalsContact C-N 3.33Å; A63-T65 PolarHBondContact O-N 3.43Å; T65-L67 PolarHBondContact O-N 3.27Å; T65-C68 PolarHBondContact O-N 3.3Å; T65-L69 HydrophobicContact CG2-CD1 4.17Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 VanDerWaalsContact O-CG 3.31Å; T65-L69 WeakPolarHBondContact O-CG 3.31Å; T65-L69 PolarHBondContact O-N 3.49Å
66	G	80.8	Confident	69.6	Low	30 Å²	30	87.1 Å²	87.1	31%	0.309	52%	0.517	S	S	.	.	H	α-helix	trans	-62	-43.1	177.8	0	0	0	0	0	112.4	V62 A63 L69 V70	V62-G66 PolarHBondContact O-N 3.37Å; A63-G66 PolarHBondContact O-N 3.43Å; G66-L69 PolarHBondContact O-N 3.25Å; G66-V70 WeakPolarHBondContact O-CB 3.07Å; G66-V70 VanDerWaalsContact O-CG2 3.24Å; G66-V70 WeakPolarHBondContact O-CG2 3.23Å; G66-V70 PolarHBondContact O-N 3.35Å
67	L	75	Confident	69.2	Low	66 Å²	66	88.6 Å²	88.6	35%	0.346	53%	0.532	S	S	.	.	H	α-helix	trans	-67.6	-35.4	174.8	-73	169.2	0	0	0	112.5	A63 T65 G71 L78 C82	A63-L67 VanDerWaalsContact O-CB 3.31Å; A63-L67 WeakPolarHBondContact O-CB 3.33Å; A63-L67 VanDerWaalsContact O-CG 3.29Å; A63-L67 WeakPolarHBondContact O-CG 3.08Å; A63-L67 PolarHBondContact O-N 3.08Å; T65-L67 PolarHBondContact O-N 3.27Å; L67-G71 WeakPolarHBondContact O-CA 3.36Å; L67-G71 PolarHBondContact O-N 3.43Å; L67-L78 HydrophobicContact CD1-CB 4.46Å; L67-C82 HydrophobicContact CD1-CB 4.37Å
68	C	75	Confident	69	Low	77 Å²	77	92.5 Å²	92.5	52%	0.52	55%	0.546	S	S	.	.	H	α-helix	trans	-64.3	-42.7	171.3	-78.7	0	0	0	0	111.3	C64 T65 C72	C64-C68 WeakPolarHBondContact O-CB 3.39Å; C64-C68 PolarHBondContact O-N 2.8Å; C64-C68 PolarHBondContact O-SG 3.13Å; C64-C68 VanDerWaalsContact O-SG 3.34Å; T65-C68 PolarHBondContact O-N 3.3Å; C68-C72 WeakPolarHBondContact O-CB 3.32Å; C68-C72 PolarHBondContact O-N 3.03Å
69	L	78.8	Confident	68.8	Low	141 Å²	141	89.4 Å²	89.4	74%	0.738	53%	0.531	S	S	*	.	H	α-helix	trans	-67.8	-40.9	178.8	-70.3	174.4	0	0	0	112.5	T65 G66	T65-L69 HydrophobicContact CG2-CD1 4.17Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 VanDerWaalsContact O-CG 3.31Å; T65-L69 WeakPolarHBondContact O-CG 3.31Å; T65-L69 PolarHBondContact O-N 3.49Å; G66-L69 PolarHBondContact O-N 3.25Å
70	V	78.9	Confident	68.3	Low	126 Å²	126	86.8 Å²	86.8	76%	0.764	52%	0.522	S	S	*	.	H	α-helix	trans	-83.7	-36.4	-178	176.7	0	0	0	0	112	G66	G66-V70 WeakPolarHBondContact O-CB 3.07Å; G66-V70 VanDerWaalsContact O-CG2 3.24Å; G66-V70 WeakPolarHBondContact O-CG2 3.23Å; G66-V70 PolarHBondContact O-N 3.35Å
71	G	70.8	Confident	67.6	Low	25 Å²	25	94 Å²	94	26%	0.258	55%	0.553	S	S	.	*	H	α-helix	trans	-99.2	0.7	-169.5	0	0	0	0	0	115.9	L67 F73 C74	L67-G71 WeakPolarHBondContact O-CA 3.36Å; L67-G71 PolarHBondContact O-N 3.43Å; G71-F73 PolarHBondContact O-N 2.97Å; G71-C74 CarbonylContact O-C 3.34Å; G71-C74 PolarHBondContact O-N 2.53Å
72	C	63.9	Low	66.6	Low	115 Å²	115	87.2 Å²	87.2	78%	0.777	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.2	176.1	-158.2	0	0	0	0	113.1	C68	C68-C72 WeakPolarHBondContact O-CB 3.32Å; C68-C72 PolarHBondContact O-N 3.03Å
73	F	61.8	Low	65.6	Low	202 Å²	202	84.6 Å²	84.6	89%	0.886	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-14	173.9	-88.5	-86.7	0	0	0	115.2	G71	G71-F73 PolarHBondContact O-N 2.97Å
74	C	55.4	Low	64.7	Low	115 Å²	115	89.4 Å²	89.4	78%	0.777	53%	0.529	S	S	*	.	S	Bend	trans	-154	99.5	-180	-101.4	0	0	0	0	112.5	G71	G71-C74 CarbonylContact O-C 3.34Å; G71-C74 PolarHBondContact O-N 2.53Å
75	G	58.9	Low	63.8	Low	55 Å²	55	89.4 Å²	89.4	57%	0.567	53%	0.532	S	S	*	.			trans	76.1	91.4	151.6	0	0	0	0	0	116.6	C77	G75-C77 PolarHBondContact O-N 3.26Å
76	C	56	Low	62.6	Low	104 Å²	104	88.6 Å²	88.6	70%	0.703	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	19.3	175.7	59.1	0	0	0	0	116.8
77	C	56.2	Low	61.7	Low	104 Å²	104	90.2 Å²	90.2	70%	0.703	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.2	-167.7	-65.3	0	0	0	0	115.5	G75 P80	G75-C77 PolarHBondContact O-N 3.26Å; C77-P80 WeakPolarHBondContact O-CD 2.97Å
78	L	58.4	Low	61.4	Low	106 Å²	106	88.5 Å²	88.5	56%	0.555	52%	0.518	S	S	*	.	S	Bend	trans	-85.8	-13.5	-179.8	-78.5	116	0	0	0	114.9	L67 P80 F81 C82	L67-L78 HydrophobicContact CD1-CB 4.46Å; L78-P80 VanDerWaalsContact C-CD 3.5Å; L78-F81 PolarHBondContact O-N 3.26Å; L78-F81 VanDerWaalsContact O-N 3.08Å; L78-C82 PolarHBondContact O-N 2.92Å
79	I	61.3	Low	61.3	Low	76 Å²	76	85 Å²	85	39%	0.39	49%	0.493	S	S	.	.	H	α-helix	trans	-50.5	-48.5	-179.2	-54.3	173.2	0	0	0	112.9	F81 V83	I79-F81 VanDerWaalsContact C-N 3.26Å; I79-F81 PolarHBondContact O-N 3.01Å; I79-V83 VanDerWaalsContact O-CG2 3.28Å; I79-V83 WeakPolarHBondContact O-CG2 2.99Å
80	P	57.7	Low	61.4	Low	74 Å²	74	79.6 Å²	79.6	48%	0.481	47%	0.465	S	S	.	.	H	α-helix	trans	-73	-14.1	-176.8	28.1	-35.4	0	0	0	114.3	C77 L78 K84	C77-P80 WeakPolarHBondContact O-CD 2.97Å; L78-P80 VanDerWaalsContact C-CD 3.5Å; P80-K84 WeakPolarHBondContact O-CG 3.27Å; P80-K84 PolarHBondContact O-NZ 3.04Å
81	F	54	Low	61.5	Low	162 Å²	162	73.7 Å²	73.7	71%	0.711	43%	0.43	S	S	*	.	H	α-helix	trans	-87.6	-46.9	-179	-157.6	-99.3	0	0	0	111.1	L78 I79 V83 K84 A85	L78-F81 PolarHBondContact O-N 3.26Å; L78-F81 VanDerWaalsContact O-N 3.08Å; I79-F81 VanDerWaalsContact C-N 3.26Å; I79-F81 PolarHBondContact O-N 3.01Å; F81-V83 VanDerWaalsContact C-N 3.32Å; F81-V83 PolarHBondContact O-N 2.87Å; F81-K84 PolarHBondContact O-N 3.22Å; F81-A85 PolarHBondContact O-N 2.99Å
82	C	52.6	Low	62.1	Low	37 Å²	37	76.3 Å²	76.3	25%	0.25	43%	0.434	C	S	.	.	H	α-helix	trans	-63.2	-35.3	179	-66.9	0	0	0	0	113.2	L67 L78 K84 A85	L67-C82 HydrophobicContact CD1-CB 4.37Å; L78-C82 PolarHBondContact O-N 2.92Å; C82-K84 VanDerWaalsContact C-N 3.31Å; C82-K84 PolarHBondContact O-N 3.34Å; C82-A85 PolarHBondContact O-N 3.34Å
83	V	55.6	Low	63.2	Low	35 Å²	35	71 Å²	71	21%	0.212	40%	0.398	C	S	.	.	H	α-helix	trans	-70.7	-26.3	-179.5	177.3	0	0	0	0	112.6	T60 I79 F81 K87	T60-V83 HydrophobicContact CG2-CB 4.13Å; T60-V83 HydrophobicContact CG2-CG1 4.05Å; T60-V83 HydrophobicContact CG2-CG2 3.75Å; I79-V83 VanDerWaalsContact O-CG2 3.28Å; I79-V83 WeakPolarHBondContact O-CG2 2.99Å; F81-V83 VanDerWaalsContact C-N 3.32Å; F81-V83 PolarHBondContact O-N 2.87Å; V83-K87 VanDerWaalsContact O-CE 3.31Å; V83-K87 WeakPolarHBondContact O-CE 3.31Å
84	K	54	Low	64.3	Low	138 Å²	138	63.5 Å²	63.5	60%	0.6	37%	0.37	S	S	*	.	H	α-helix	trans	-78.4	-36	178.3	-70.4	-171.4	-170.3	81.7	0	112.1	P80 F81 C82 C86	P80-K84 WeakPolarHBondContact O-CG 3.27Å; P80-K84 PolarHBondContact O-NZ 3.04Å; F81-K84 PolarHBondContact O-N 3.22Å; C82-K84 VanDerWaalsContact C-N 3.31Å; C82-K84 PolarHBondContact O-N 3.34Å; K84-C86 VanDerWaalsContact C-N 3.34Å; K84-C86 PolarHBondContact O-N 3.47Å
85	A	54.1	Low	65.7	Low	34 Å²	34	64.1 Å²	64.1	28%	0.281	36%	0.361	S	S	.	.	H	α-helix	trans	-70.9	-28	-174	0	0	0	0	0	113.2	F81 C82 L106	F81-A85 PolarHBondContact O-N 2.99Å; C82-A85 PolarHBondContact O-N 3.34Å; A85-L106 HydrophobicContact CB-CD1 3.83Å; A85-L106 WeakPolarHBondContact O-CD1 3.41Å; A85-L106 VanDerWaalsContact O-CG 3.23Å; A85-L106 WeakPolarHBondContact O-CG 3.47Å
86	C	55.9	Low	67	Low	38 Å²	38	63.6 Å²	63.6	26%	0.257	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	20.6	-167.7	-60.6	0	0	0	0	115.6	K84	K84-C86 VanDerWaalsContact C-N 3.34Å; K84-C86 PolarHBondContact O-N 3.47Å
87	K	61.7	Low	68.2	Low	65 Å²	65	61.2 Å²	61.2	28%	0.283	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.3	-178.3	-68.9	179.9	180	-178.2	0	111	N56 V83	N56-K87 WeakPolarHBondContact OD1-CE 3.15Å; V83-K87 VanDerWaalsContact O-CE 3.31Å; V83-K87 WeakPolarHBondContact O-CE 3.31Å
88	D	68.6	Low	69.4	Low	30 Å²	30	58.2 Å²	58.2	16%	0.16	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	146.2	168.1	-68.6	-30.7	0	0	0	109	H54 R55 T102 R104	H54-D88 CarbonylContact C-O 3.45Å; H54-D88 WeakPolarHBondContact CA-O 3.28Å; R55-D88 HydrophobicContact CB-CB 4.34Å; R55-D88 PolarHBondContact N-O 2.82Å; R55-D88 PolarHBondContact O-N 3.25Å; R55-D88 VanDerWaalsContact O-N 3.13Å; D88-T102 HydrophobicContact CB-CG2 4.36Å; D88-R104 WeakPolarHBondContact OD1-CA 3.24Å; D88-R104 WeakPolarHBondContact OD1-CB 3.35Å; D88-R104 IonicContact OD2-NH1 2.97Å; D88-R104 PolarHBondContact OD2-NH1 3.28Å
89	V	72.5	Confident	70.4	Confident	2 Å²	2	56 Å²	56	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	111.6	-175.2	-172.6	0	0	0	0	110.1	D34 I52 K53 H54 T102 Y103	D34-V89 HydrophobicContact CB-CG2 4.34Å; I52-V89 HydrophobicContact CB-CG1 3.56Å; I52-V89 HydrophobicContact CD1-CG1 4.35Å; I52-V89 HydrophobicContact CG2-CG1 3.66Å; K53-V89 CarbonylContact O-C 3.54Å; K53-V89 WeakPolarHBondContact O-CA 3.31Å; H54-V89 WeakPolarHBondContact ND1-CG2 3.42Å; V89-T102 CarbonylContact O-C 3.57Å; V89-T102 WeakPolarHBondContact O-CA 3.42Å; V89-Y103 PolarHBondContact N-O 2.93Å; V89-Y103 PolarHBondContact O-N 3.23Å
90	D	80.9	Confident	71.4	Confident	28 Å²	28	54.7 Å²	54.7	15%	0.15	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.7	177.2	-70.6	-49.7	0	0	0	111.3	I52 K53 H99 T102	I52-D90 CarbonylContact C-O 3.48Å; I52-D90 VanDerWaalsContact CA-O 3.26Å; I52-D90 WeakPolarHBondContact CA-O 3.36Å; K53-D90 HydrophobicContact CB-CB 4.35Å; K53-D90 PolarHBondContact N-O 2.78Å; K53-D90 PolarHBondContact O-N 2.82Å; D90-H99 IonicContact OD1-NE2 3.7Å; D90-T102 WeakPolarHBondContact OD1-CB 3.37Å; D90-T102 WeakPolarHBondContact OD1-CG2 3.37Å; D90-T102 PolarHBondContact OD1-OG1 3.24Å
91	H	80.6	Confident	72.2	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.6	177.7	-66.6	-111.4	0	0	0	111.6	L32 Q33 H35 T50 I52 H99 I100 G101	L32-H91 HydrophobicContact CD2-CB 4.18Å; Q33-H91 PolarHBondContact O-CE1 2.96Å; Q33-H91 PolarHBondContact O-NE2 3.33Å; H35-H91 PolarHBondContact O-CE1 3.49Å; H35-H91 VanDerWaalsContact O-CE1 3.3Å; T50-H91 HydrophobicContact CG2-CB 4.34Å; T50-H91 PolarHBondContact OG1-ND1 3.4Å; I52-H91 VanDerWaalsContact CG2-CE1 3.42Å; I52-H91 WeakPolarHBondContact CG2-CE1 3.43Å; H91-H99 PolarHBondContact O-CD2 3.33Å; H91-I100 HydrophobicContact CB-CB 4.4Å; H91-I100 PolarHBondContact O-N 2.8Å; H91-G101 WeakPolarHBondContact CB-O 3.31Å; H91-G101 PolarHBondContact N-O 2.88Å
92	K	84.7	Confident	73.2	Confident	80 Å²	80	46.3 Å²	46.3	35%	0.348	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.3	178.1	-63.7	-171.5	-177.3	-159.6	0	112.1	T50 K51	T50-K92 CarbonylContact C-O 3.59Å; T50-K92 WeakPolarHBondContact CA-O 3.33Å; K51-K92 PolarHBondContact N-O 3.01Å; K51-K92 PolarHBondContact O-N 2.87Å
93	C	85.5	Confident	74.1	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.027	26%	0.264	C	S	.	.			trans	-69.9	123.2	171.8	174.6	0	0	0	0	110.4	C41 I48 C96 G97 H98 I100	C41-C93 VanDerWaalsContact SG-SG 3.6Å; I48-C93 HydrophobicContact CD1-CB 4.14Å; C93-C96 HydrophobicContact CB-CB 4.39Å; C93-C96 WeakPolarHBondContact CB-SG 3.42Å; C93-C96 WeakPolarHBondContact SG-CB 3.45Å; C93-C96 PolarHBondContact SG-N 3.42Å; C93-C96 CovalentContact SG-SG 2.07Å; C93-C96 PolarHBondContact SG-SG 2.88Å; C93-G97 WeakPolarHBondContact O-CA 3.22Å; C93-G97 PolarHBondContact O-N 3.24Å; C93-H98 HydrophobicContact CB-CB 4.08Å; C93-H98 WeakPolarHBondContact CB-O 3.31Å; C93-H98 PolarHBondContact N-O 2.88Å; C93-I100 HydrophobicContact CB-CD1 4.38Å
94	P	85.1	Confident	74.6	Confident	44 Å²	44	52.3 Å²	52.3	29%	0.286	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-32.7	177.4	29.2	-34.5	0	0	0	113.1	I48 V49 K51	I48-P94 HydrophobicContact CB-CG 4.27Å; V49-P94 VanDerWaalsContact O-CD 3.29Å; V49-P94 WeakPolarHBondContact O-CD 3.46Å; V49-P94 VanDerWaalsContact O-CG 3.32Å; V49-P94 WeakPolarHBondContact O-CG 3.4Å; K51-P94 HydrophobicContact CD-CB 3.9Å; K51-P94 HydrophobicContact CG-CB 4.11Å
95	E	86.1	Confident	74.9	Confident	129 Å²	129	49.8 Å²	49.8	60%	0.603	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-39.3	-177.7	-66.6	-56.8	122.1	0	0	112.4	I48	I48-E95 HydrophobicContact CG2-CB 4.15Å; I48-E95 HydrophobicContact CG2-CG 3.44Å; I48-E95 VanDerWaalsContact CG2-CG 3.44Å
96	C	85.5	Confident	74.9	Confident	43 Å²	43	52.5 Å²	52.5	29%	0.291	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-9.8	-167.8	65.7	0	0	0	0	114	C41 C44 C93 H98	C41-C96 PolarHBondContact SG-SG 2.82Å; C44-C96 HydrophobicContact CB-CB 4.15Å; C93-C96 HydrophobicContact CB-CB 4.39Å; C93-C96 WeakPolarHBondContact CB-SG 3.42Å; C93-C96 WeakPolarHBondContact SG-CB 3.45Å; C93-C96 PolarHBondContact SG-N 3.42Å; C93-C96 CovalentContact SG-SG 2.07Å; C93-C96 PolarHBondContact SG-SG 2.88Å; C96-H98 PolarHBondContact O-N 3.34Å; C96-H98 VanDerWaalsContact O-N 3.1Å; C96-H98 WeakPolarHBondContact SG-CB 3.29Å
97	G	81.5	Confident	74.8	Confident	55 Å²	55	56.1 Å²	56.1	57%	0.567	29%	0.289	S	S	*	.			trans	70.5	-1.6	-176.1	0	0	0	0	0	115	C93 H99	C93-G97 WeakPolarHBondContact O-CA 3.22Å; C93-G97 PolarHBondContact O-N 3.24Å; G97-H99 PolarHBondContact O-N 3.46Å
98	H	81.4	Confident	74.3	Confident	41 Å²	41	62.2 Å²	62.2	19%	0.19	32%	0.319	C	S	.	.			trans	-61.4	132.3	-179.9	-166.5	76.9	0	0	0	111.7	Q25 N43 C93 C96	Q25-H98 PolarHBondContact NE2-NE2 3.44Å; N43-H98 HydrophobicContact CB-CB 3.96Å; C93-H98 HydrophobicContact CB-CB 4.08Å; C93-H98 WeakPolarHBondContact CB-O 3.31Å; C93-H98 PolarHBondContact N-O 2.88Å; C96-H98 PolarHBondContact O-N 3.34Å; C96-H98 VanDerWaalsContact O-N 3.1Å; C96-H98 WeakPolarHBondContact SG-CB 3.29Å
99	H	79.9	Confident	73.3	Confident	59 Å²	59	70.2 Å²	70.2	27%	0.273	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.6	174.8	-176.8	-113.7	0	0	0	109.6	D90 H91 G97 T102	D90-H99 IonicContact OD1-NE2 3.7Å; H91-H99 PolarHBondContact O-CD2 3.33Å; G97-H99 PolarHBondContact O-N 3.46Å; H99-T102 PolarHBondContact CE1-OG1 3.01Å
100	I	80.8	Confident	72.1	Confident	48 Å²	48	80.6 Å²	80.6	25%	0.246	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-41.8	-173.2	-50	-158.6	0	0	0	110.2	L39 I48 T50 H91 C93	L39-I100 HydrophobicContact CD1-CD1 3.69Å; L39-I100 HydrophobicContact CD2-CD1 4.33Å; L39-I100 HydrophobicContact CD2-CG2 4.16Å; L39-I100 HydrophobicContact CG-CD1 4.46Å; I48-I100 HydrophobicContact CD1-CD1 3.94Å; T50-I100 HydrophobicContact CG2-CD1 3.7Å; H91-I100 HydrophobicContact CB-CB 4.4Å; H91-I100 PolarHBondContact O-N 2.8Å; C93-I100 HydrophobicContact CB-CD1 4.38Å
101	G	76.4	Confident	70.1	Confident	16 Å²	16	87.6 Å²	87.6	17%	0.165	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	165.9	178.2	0	0	0	0	0	112	H91	H91-G101 WeakPolarHBondContact CB-O 3.31Å; H91-G101 PolarHBondContact N-O 2.88Å
102	T	73.9	Confident	68.2	Low	44 Å²	44	100.3 Å²	100.3	27%	0.27	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.5	176	-49.7	0	0	0	0	108.8	D88 V89 D90 H99 R104	D88-T102 HydrophobicContact CB-CG2 4.36Å; V89-T102 CarbonylContact O-C 3.57Å; V89-T102 WeakPolarHBondContact O-CA 3.42Å; D90-T102 WeakPolarHBondContact OD1-CB 3.37Å; D90-T102 WeakPolarHBondContact OD1-CG2 3.37Å; D90-T102 PolarHBondContact OD1-OG1 3.24Å; H99-T102 PolarHBondContact CE1-OG1 3.01Å; T102-R104 HydrophobicContact CG2-CG 3.93Å
103	Y	71.8	Confident	67.4	Low	78 Å²	78	101.4 Å²	101.4	31%	0.306	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	114.4	167.6	179.3	-106.3	0	0	0	109.2	L32 D34 V89 M105	L32-Y103 HydrophobicContact CB-CD2 4.37Å; L32-Y103 WeakPolarHBondContact O-CD2 3.17Å; L32-Y103 WeakPolarHBondContact O-CE2 3.34Å; D34-Y103 HydrophobicContact CB-CD1 4.24Å; D34-Y103 HydrophobicContact CB-CE1 4.04Å; V89-Y103 PolarHBondContact N-O 2.93Å; V89-Y103 PolarHBondContact O-N 3.23Å; Y103-M105 HydrophobicContact CE1-CB 4.38Å; Y103-M105 HydrophobicContact CE1-CG 4.33Å
104	R	66.3	Low	66.4	Low	120 Å²	120	106.5 Å²	106.5	45%	0.453	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112.8	180	-64.2	174.7	175.6	-81.3	8.9	108.8	D88 T102 L106 Q107	D88-R104 WeakPolarHBondContact OD1-CA 3.24Å; D88-R104 WeakPolarHBondContact OD1-CB 3.35Å; D88-R104 IonicContact OD2-NH1 2.97Å; D88-R104 PolarHBondContact OD2-NH1 3.28Å; T102-R104 HydrophobicContact CG2-CG 3.93Å; R104-L106 VanDerWaalsContact C-N 3.29Å; R104-L106 PolarHBondContact O-N 2.72Å; R104-Q107 HydrophobicContact CB-CB 4.05Å; R104-Q107 HydrophobicContact CB-CG 4.08Å; R104-Q107 HydrophobicContact CG-CG 4.28Å
105	M	60.5	Low	65.4	Low	85 Å²	85	109.9 Å²	109.9	42%	0.419	53%	0.525	S	S	.	.	S	Bend	trans	-70.4	-24.9	-175	-153.2	178.9	-162.4	0	0	112.8	Y103	Y103-M105 HydrophobicContact CE1-CB 4.38Å; Y103-M105 HydrophobicContact CE1-CG 4.33Å
106	L	53	Low	64.2	Low	91 Å²	91	108.8 Å²	108.8	48%	0.476	52%	0.521	S	S	.	.	S	Bend	trans	-141.1	21.3	-171.8	-75	-173.6	0	0	0	117	A85 R104	A85-L106 HydrophobicContact CB-CD1 3.83Å; A85-L106 WeakPolarHBondContact O-CD1 3.41Å; A85-L106 VanDerWaalsContact O-CG 3.23Å; A85-L106 WeakPolarHBondContact O-CG 3.47Å; R104-L106 VanDerWaalsContact C-N 3.29Å; R104-L106 PolarHBondContact O-N 2.72Å
107	Q	53.5	Low	62.8	Low	114 Å²	114	112.9 Å²	112.9	53%	0.533	54%	0.535	S	S	.	.	S	Bend	trans	-79.5	-27.1	179.3	-79.6	-127.4	-60.5	0	0	115.3	R104 K109	R104-Q107 HydrophobicContact CB-CB 4.05Å; R104-Q107 HydrophobicContact CB-CG 4.08Å; R104-Q107 HydrophobicContact CG-CG 4.28Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 2.85Å
108	E	53	Low	61.6	Low	194 Å²	194	116.8 Å²	116.8	91%	0.907	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.8	-176	-80.2	-169.4	115.9	0	0	114.7
109	K	47.3	Very low	60.2	Low	197 Å²	197	122.2 Å²	122.2	86%	0.857	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-5.9	-174.2	-78.2	-167.6	178.9	-179.4	0	116.3	Q107	Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 2.85Å
110	Y	46	Very low	58.7	Low	221 Å²	221	127.1 Å²	127.1	87%	0.867	58%	0.579	S	S	*	*	S	Bend	trans	-111.6	1.6	179.6	-154.6	-97.1	0	0	0	114.5
111	M	40.3	Very low	56.8	Low	174 Å²	174	133.7 Å²	133.7	86%	0.857	61%	0.607	S	S	*	*			trans	-101.7	49.7	169.7	-157.8	171.8	90.9	0	0	111.7
112	K	40.1	Very low	55.1	Low	270 Å²	270	144.4 Å²	144.4	100%	1.174	65%	0.647	S	S	*	*			trans	-137.3	0	161.2	-90.4	-171.6	172.1	-178.8	0	109.6

Retrieved 112 of 112 residues in 28.6 ms (Link to these results)

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