A0A060VP81_ONCMY Loading...

Protein S100

AlphaFold DB , UniProt , Accession A0A060VP81, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 119 aa.

						>A0A060VP81_ONCMY|A0A060VP81
MSKEPSSNLENAMQMLIKTFHKYSGKEGDKYTLSRGELRELLTEELGSYLGNARDGEGVEKVMNDLDANSDGEVDFTEFIILMGALTVACNDFFMEYKPEKLVHTPFKTKEATIEEIKE
					

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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	41.5	Very low	74.7	Confident	243 Å²	243	128.4 Å²	128.4	100%	1.197	69%	0.687	S	S	*	*				0	104.7	0	-84.2	144.3	63.2	0	0	107.9	K3	M1-K3 PolarHBondContact O-N 3.29Å
2	S	47.6	Very low	76.1	Confident	118 Å²	118	121.5 Å²	121.5	83%	0.825	66%	0.661	S	S	*	*			trans	-63.2	115.2	166.7	23.5	0	0	0	0	107.3	E4	S2-E4 PolarHBondContact O-N 2.81Å
3	K	59.3	Low	77.5	Confident	207 Å²	207	121.1 Å²	121.1	90%	0.9	66%	0.655	S	S	*	*			trans	-61.9	120.4	169.5	-119.2	179	176.6	-178.5	0	106.2	M1	M1-K3 PolarHBondContact O-N 3.29Å
4	E	65.9	Low	78.6	Confident	168 Å²	168	119.4 Å²	119.4	79%	0.785	64%	0.64	S	S	*	*			trans	-47.3	140.6	167.2	-73	-70.9	153.1	0	0	109.1	S2 S6	S2-E4 PolarHBondContact O-N 2.81Å; E4-S6 PolarHBondContact O-N 2.99Å
5	P	67	Low	79.7	Confident	119 Å²	119	119.8 Å²	119.8	77%	0.773	64%	0.639	S	S	*	*			trans	-62.1	114.6	176.1	25.3	-30.5	0	0	0	108.4
6	S	78.6	Confident	80.7	Confident	55 Å²	55	115.8 Å²	115.8	39%	0.385	62%	0.617	S	S	.	*			trans	-61.7	141.1	175.1	31.1	0	0	0	0	110.1	E4 N11	E4-S6 PolarHBondContact O-N 2.99Å; S6-N11 WeakPolarHBondContact CB-OD1 3.24Å; S6-N11 PolarHBondContact O-ND2 2.93Å; S6-N11 PolarHBondContact OG-OD1 2.79Å
7	S	93.1	Very high	81.5	Confident	57 Å²	57	112.2 Å²	112.2	40%	0.399	60%	0.598	S	S	.	*			trans	-60	158.6	174.7	66	0	0	0	0	111	L9 E10 N11	S7-L9 PolarHBondContact O-N 2.89Å; S7-E10 WeakPolarHBondContact CB-OE2 3.37Å; S7-E10 PolarHBondContact N-OE2 2.56Å; S7-E10 PolarHBondContact O-N 2.89Å; S7-E10 VanDerWaalsContact O-N 3.16Å; S7-E10 VanDerWaalsContact OG-CD 3.24Å; S7-E10 VanDerWaalsContact OG-CG 3.24Å; S7-E10 WeakPolarHBondContact OG-CG 3.42Å; S7-E10 PolarHBondContact OG-N 2.61Å; S7-E10 PolarHBondContact OG-OE2 2.78Å; S7-N11 PolarHBondContact O-N 2.95Å; S7-N11 PolarHBondContact O-ND2 2.7Å
8	N	93.1	Very high	82.3	Confident	143 Å²	143	113.7 Å²	113.7	77%	0.765	60%	0.598	S	S	*	*	H	α-helix	trans	-57.2	-36.2	179.8	-69.4	-17.6	0	0	0	112.6	N11 A12	N8-N11 PolarHBondContact O-N 3.43Å; N8-A12 WeakPolarHBondContact O-CB 3.38Å; N8-A12 PolarHBondContact O-N 3.34Å
9	L	91.9	Very high	83.1	Confident	137 Å²	137	109.5 Å²	109.5	72%	0.717	58%	0.577	S	S	*	*	H	α-helix	trans	-67.8	-46.4	176.9	-83.2	162.2	0	0	0	111.9	S7 N11 A12 M13	S7-L9 PolarHBondContact O-N 2.89Å; L9-N11 VanDerWaalsContact C-N 3.26Å; L9-N11 PolarHBondContact O-N 3.12Å; L9-A12 PolarHBondContact O-N 3.14Å; L9-M13 WeakPolarHBondContact O-CG 3.33Å; L9-M13 PolarHBondContact O-N 3.42Å
10	E	90.2	Very high	83.7	Confident	104 Å²	104	104.2 Å²	104.2	49%	0.486	55%	0.549	S	S	.	.	H	α-helix	trans	-60.9	-39.2	175.2	-70.6	164.8	142.8	0	0	111.1	S7 M13 Q14	S7-E10 WeakPolarHBondContact CB-OE2 3.37Å; S7-E10 PolarHBondContact N-OE2 2.56Å; S7-E10 PolarHBondContact O-N 2.89Å; S7-E10 VanDerWaalsContact O-N 3.16Å; S7-E10 VanDerWaalsContact OG-CD 3.24Å; S7-E10 VanDerWaalsContact OG-CG 3.24Å; S7-E10 WeakPolarHBondContact OG-CG 3.42Å; S7-E10 PolarHBondContact OG-N 2.61Å; S7-E10 PolarHBondContact OG-OE2 2.78Å; E10-M13 PolarHBondContact O-N 3.23Å; E10-Q14 WeakPolarHBondContact O-CB 3.47Å; E10-Q14 WeakPolarHBondContact O-CG 3.02Å; E10-Q14 PolarHBondContact O-N 3.34Å
11	N	93	Very high	84.3	Confident	61 Å²	61	104.7 Å²	104.7	33%	0.326	55%	0.548	S	S	.	.	H	α-helix	trans	-62.6	-45.7	174.5	-73.2	-36.9	0	0	0	112.1	S6 S7 N8 L9 M13 Q14 M15	S6-N11 WeakPolarHBondContact CB-OD1 3.24Å; S6-N11 PolarHBondContact O-ND2 2.93Å; S6-N11 PolarHBondContact OG-OD1 2.79Å; S7-N11 PolarHBondContact O-N 2.95Å; S7-N11 PolarHBondContact O-ND2 2.7Å; N8-N11 PolarHBondContact O-N 3.43Å; L9-N11 VanDerWaalsContact C-N 3.26Å; L9-N11 PolarHBondContact O-N 3.12Å; N11-M13 PolarHBondContact O-N 3.34Å; N11-Q14 PolarHBondContact O-N 3.11Å; N11-M15 VanDerWaalsContact O-CG 3.3Å; N11-M15 WeakPolarHBondContact O-CG 3.18Å; N11-M15 PolarHBondContact O-N 3.05Å
12	A	92.4	Very high	86.9	Confident	46 Å²	46	97.9 Å²	97.9	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-60.8	-44.9	177.2	0	0	0	0	0	111.6	N8 L9 Q14 M15 L16	N8-A12 WeakPolarHBondContact O-CB 3.38Å; N8-A12 PolarHBondContact O-N 3.34Å; L9-A12 PolarHBondContact O-N 3.14Å; A12-Q14 VanDerWaalsContact C-N 3.34Å; A12-Q14 PolarHBondContact O-N 2.82Å; A12-M15 WeakPolarHBondContact O-CB 3.39Å; A12-M15 PolarHBondContact O-N 3.37Å; A12-M15 VanDerWaalsContact O-N 3.16Å; A12-L16 WeakPolarHBondContact O-CG 3.3Å; A12-L16 PolarHBondContact O-N 2.82Å
13	M	93.3	Very high	89.2	Confident	116 Å²	116	92.3 Å²	92.3	57%	0.571	47%	0.473	S	S	*	.	H	α-helix	trans	-59.7	-44.7	174.8	-69	175.9	69.1	0	0	111.8	L9 E10 N11 M15 L16 I17	L9-M13 WeakPolarHBondContact O-CG 3.33Å; L9-M13 PolarHBondContact O-N 3.42Å; E10-M13 PolarHBondContact O-N 3.23Å; N11-M13 PolarHBondContact O-N 3.34Å; M13-M15 VanDerWaalsContact C-N 3.29Å; M13-M15 PolarHBondContact O-N 3.47Å; M13-L16 PolarHBondContact O-N 3.08Å; M13-I17 VanDerWaalsContact O-CG1 3.32Å; M13-I17 WeakPolarHBondContact O-CG1 3.04Å; M13-I17 PolarHBondContact O-N 2.85Å
14	Q	93.6	Very high	91	Very high	97 Å²	97	83 Å²	83	45%	0.453	43%	0.434	S	S	.	.	H	α-helix	trans	-65	-33.3	177	-71.2	-63.9	-39.7	0	0	112.4	E10 N11 A12 K18	E10-Q14 WeakPolarHBondContact O-CB 3.47Å; E10-Q14 WeakPolarHBondContact O-CG 3.02Å; E10-Q14 PolarHBondContact O-N 3.34Å; N11-Q14 PolarHBondContact O-N 3.11Å; A12-Q14 VanDerWaalsContact C-N 3.34Å; A12-Q14 PolarHBondContact O-N 2.82Å; Q14-K18 WeakPolarHBondContact O-CB 3.26Å; Q14-K18 WeakPolarHBondContact O-CD 3.46Å; Q14-K18 WeakPolarHBondContact O-CG 3.4Å; Q14-K18 PolarHBondContact O-N 3.49Å
15	M	95.1	Very high	92.2	Very high	126 Å²	126	76.7 Å²	76.7	62%	0.621	41%	0.414	S	S	*	.	H	α-helix	trans	-65.6	-47.5	173.5	-73	176.3	68.6	0	0	110.9	N11 A12 M13 I17 K18 T19	N11-M15 VanDerWaalsContact O-CG 3.3Å; N11-M15 WeakPolarHBondContact O-CG 3.18Å; N11-M15 PolarHBondContact O-N 3.05Å; A12-M15 WeakPolarHBondContact O-CB 3.39Å; A12-M15 PolarHBondContact O-N 3.37Å; A12-M15 VanDerWaalsContact O-N 3.16Å; M13-M15 VanDerWaalsContact C-N 3.29Å; M13-M15 PolarHBondContact O-N 3.47Å; M15-I17 PolarHBondContact O-N 3Å; M15-K18 PolarHBondContact O-N 2.95Å; M15-T19 WeakPolarHBondContact O-CB 3.36Å; M15-T19 PolarHBondContact O-N 3.22Å; M15-T19 PolarHBondContact O-OG1 3.27Å
16	L	95.5	Very high	93.4	Very high	56 Å²	56	75.8 Å²	75.8	29%	0.293	40%	0.398	S	S	.	.	H	α-helix	trans	-57.2	-47	176.9	-67.8	172.2	0	0	0	112.2	A12 M13 K18 T19 F20 F79 I80 M83	A12-L16 WeakPolarHBondContact O-CG 3.3Å; A12-L16 PolarHBondContact O-N 2.82Å; M13-L16 PolarHBondContact O-N 3.08Å; L16-K18 PolarHBondContact O-N 3Å; L16-T19 PolarHBondContact O-N 3.17Å; L16-F20 PolarHBondContact O-N 3.42Å; L16-F79 HydrophobicContact CB-CE1 4.43Å; L16-I80 HydrophobicContact CB-CD1 4.05Å; L16-I80 HydrophobicContact CD1-CD1 3.83Å; L16-I80 HydrophobicContact CG-CD1 4.42Å; L16-M83 HydrophobicContact CD2-CB 4.25Å; L16-M83 HydrophobicContact CD2-CG 3.84Å; L16-M83 HydrophobicContact CD2-SD 4.11Å
17	I	95.3	Very high	93.9	Very high	55 Å²	55	79 Å²	79	28%	0.282	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-46.7	177.6	-67.3	163.8	0	0	0	111	M13 M15 T19 F20 H21 F76	M13-I17 VanDerWaalsContact O-CG1 3.32Å; M13-I17 WeakPolarHBondContact O-CG1 3.04Å; M13-I17 PolarHBondContact O-N 2.85Å; M15-I17 PolarHBondContact O-N 3Å; I17-T19 VanDerWaalsContact C-N 3.35Å; I17-F20 PolarHBondContact O-N 3.3Å; I17-H21 PolarHBondContact O-CD2 3.04Å; I17-H21 VanDerWaalsContact O-CD2 3.31Å; I17-H21 PolarHBondContact O-N 2.8Å; I17-H21 VanDerWaalsContact O-N 3.11Å; I17-F76 HydrophobicContact CG1-CE1 4.46Å; I17-F76 HydrophobicContact CG1-CE2 4.2Å; I17-F76 HydrophobicContact CG1-CZ 3.65Å
18	K	95.9	Very high	93.6	Very high	139 Å²	139	80.2 Å²	80.2	60%	0.604	43%	0.428	S	S	*	.	H	α-helix	trans	-65.9	-38.9	179.7	-76	173	-177.8	178.9	0	112.2	Q14 M15 L16 H21 K22	Q14-K18 WeakPolarHBondContact O-CB 3.26Å; Q14-K18 WeakPolarHBondContact O-CD 3.46Å; Q14-K18 WeakPolarHBondContact O-CG 3.4Å; Q14-K18 PolarHBondContact O-N 3.49Å; M15-K18 PolarHBondContact O-N 2.95Å; L16-K18 PolarHBondContact O-N 3Å; K18-H21 PolarHBondContact O-N 2.98Å; K18-K22 WeakPolarHBondContact O-CB 3.38Å; K18-K22 PolarHBondContact O-N 3.1Å
19	T	95.9	Very high	93.6	Very high	33 Å²	33	76.6 Å²	76.6	20%	0.202	41%	0.408	C	S	.	.	H	α-helix	trans	-63.4	-47.1	176.9	-63	0	0	0	0	110	M15 L16 I17 H21 K22 Y23 L41 E45	M15-T19 WeakPolarHBondContact O-CB 3.36Å; M15-T19 PolarHBondContact O-N 3.22Å; M15-T19 PolarHBondContact O-OG1 3.27Å; L16-T19 PolarHBondContact O-N 3.17Å; I17-T19 VanDerWaalsContact C-N 3.35Å; T19-H21 PolarHBondContact O-N 3.39Å; T19-K22 VanDerWaalsContact O-CB 3.32Å; T19-K22 WeakPolarHBondContact O-CB 3.34Å; T19-K22 PolarHBondContact O-N 3.38Å; T19-K22 VanDerWaalsContact O-N 3.07Å; T19-Y23 HydrophobicContact CG2-CD2 4.35Å; T19-Y23 HydrophobicContact CG2-CE2 4.03Å; T19-Y23 WeakPolarHBondContact O-CD2 3.26Å; T19-L41 HydrophobicContact CG2-CD1 4.45Å; T19-E45 HydrophobicContact CG2-CG 3.82Å
20	F	96.1	Very high	93.7	Very high	3 Å²	3	75.9 Å²	75.9	1%	0.013	40%	0.4	C	S	.	.	H	α-helix	trans	-54.5	-52	175.1	-177.1	-92.6	0	0	0	111.8	L16 I17 K22 Y23 S24 Y31 L33 F76 F79	L16-F20 PolarHBondContact O-N 3.42Å; I17-F20 PolarHBondContact O-N 3.3Å; F20-K22 PolarHBondContact O-N 2.84Å; F20-Y23 PolarHBondContact O-N 2.77Å; F20-Y23 VanDerWaalsContact O-N 3.09Å; F20-S24 PolarHBondContact O-N 3.03Å; F20-Y31 WeakPolarHBondContact CZ-O 3.45Å; F20-L33 HydrophobicContact CD2-CD1 3.76Å; F20-L33 HydrophobicContact CD2-CG 4.1Å; F20-L33 HydrophobicContact CE2-CD1 3.66Å; F20-L33 HydrophobicContact CE2-CG 3.69Å; F20-L33 HydrophobicContact CZ-CG 4.23Å; F20-F76 HydrophobicContact CB-CD2 3.82Å; F20-F76 HydrophobicContact CB-CE2 3.9Å; F20-F76 AromaticContact CD1-CD2 3.86Å; F20-F76 HydrophobicContact CD1-CD2 3.86Å; F20-F76 AromaticContact CD2-CD2 3.83Å; F20-F76 HydrophobicContact CD2-CD2 3.83Å; F20-F76 HydrophobicContact CE1-CB 4.3Å; F20-F76 HydrophobicContact CE1-CD2 4.37Å; F20-F76 HydrophobicContact CE2-CB 4.31Å; F20-F76 HydrophobicContact CE2-CD2 4.33Å; F20-F76 AromaticContact CG-CD2 3.56Å; F20-F76 HydrophobicContact CG-CD2 3.56Å; F20-F76 HydrophobicContact CG-CE2 4.17Å; F20-F76 HydrophobicContact CZ-CB 4.14Å; F20-F79 HydrophobicContact CB-CD1 4.13Å; F20-F79 HydrophobicContact CB-CE1 4.05Å; F20-F79 HydrophobicContact CD2-CB 3.78Å; F20-F79 AromaticContact CD2-CD1 3.79Å; F20-F79 HydrophobicContact CD2-CD1 3.79Å; F20-F79 HydrophobicContact CD2-CD2 4.24Å; F20-F79 HydrophobicContact CD2-CE1 4.47Å; F20-F79 AromaticContact CD2-CG 3.66Å; F20-F79 HydrophobicContact CD2-CG 3.66Å; F20-F79 HydrophobicContact CE2-CB 3.93Å; F20-F79 HydrophobicContact CE2-CG 4.32Å; F20-F79 HydrophobicContact CG-CD1 4.37Å
21	H	96.2	Very high	94	Very high	115 Å²	115	78.1 Å²	78.1	53%	0.532	41%	0.405	S	S	.	.	H	α-helix	trans	-68.7	-15.1	178.8	-71.9	-47.6	0	0	0	115.2	I17 K18 T19 Y23	I17-H21 PolarHBondContact O-CD2 3.04Å; I17-H21 VanDerWaalsContact O-CD2 3.31Å; I17-H21 PolarHBondContact O-N 2.8Å; I17-H21 VanDerWaalsContact O-N 3.11Å; K18-H21 PolarHBondContact O-N 2.98Å; T19-H21 PolarHBondContact O-N 3.39Å; H21-Y23 VanDerWaalsContact C-N 3.28Å
22	K	96.6	Very high	94.1	Very high	101 Å²	101	75.8 Å²	75.8	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-68.6	-32.4	172.1	177.3	-172.8	162.5	-163.6	0	110.5	K18 T19 F20 K26 E44 E45	K18-K22 WeakPolarHBondContact O-CB 3.38Å; K18-K22 PolarHBondContact O-N 3.1Å; T19-K22 VanDerWaalsContact O-CB 3.32Å; T19-K22 WeakPolarHBondContact O-CB 3.34Å; T19-K22 PolarHBondContact O-N 3.38Å; T19-K22 VanDerWaalsContact O-N 3.07Å; F20-K22 PolarHBondContact O-N 2.84Å; K22-K26 WeakPolarHBondContact O-CE 3.31Å; K22-E44 IonicContact NZ-OE2 3.14Å; K22-E44 PolarHBondContact NZ-OE2 2.87Å; K22-E44 VanDerWaalsContact NZ-OE2 3.09Å; K22-E45 IonicContact NZ-OE1 2.78Å; K22-E45 PolarHBondContact NZ-OE1 2.85Å
23	Y	96.1	Very high	94.2	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-105	-33.2	-175.7	-62	-82.8	0	0	0	113.3	T19 F20 H21 K26 E37 E40 L41 E44 E45	T19-Y23 HydrophobicContact CG2-CD2 4.35Å; T19-Y23 HydrophobicContact CG2-CE2 4.03Å; T19-Y23 WeakPolarHBondContact O-CD2 3.26Å; F20-Y23 PolarHBondContact O-N 2.77Å; F20-Y23 VanDerWaalsContact O-N 3.09Å; H21-Y23 VanDerWaalsContact C-N 3.28Å; Y23-K26 WeakPolarHBondContact O-CG 3.46Å; Y23-E37 VanDerWaalsContact O-CD 3.25Å; Y23-E37 VanDerWaalsContact O-CG 3.27Å; Y23-E37 WeakPolarHBondContact O-CG 3.47Å; Y23-E37 VanDerWaalsContact O-OE1 3.05Å; Y23-E40 HydrophobicContact CD1-CB 4.08Å; Y23-E40 HydrophobicContact CD1-CG 4.04Å; Y23-E40 HydrophobicContact CE1-CB 4.27Å; Y23-E40 HydrophobicContact CE1-CG 3.9Å; Y23-L41 HydrophobicContact CD1-CB 4.04Å; Y23-L41 HydrophobicContact CD2-CB 3.71Å; Y23-L41 HydrophobicContact CD2-CD1 3.68Å; Y23-L41 HydrophobicContact CD2-CG 3.66Å; Y23-L41 HydrophobicContact CE1-CB 4.33Å; Y23-L41 HydrophobicContact CE2-CB 4.02Å; Y23-L41 HydrophobicContact CE2-CD1 4.32Å; Y23-L41 HydrophobicContact CE2-CG 3.87Å; Y23-L41 HydrophobicContact CG-CB 3.74Å; Y23-L41 HydrophobicContact CG-CD1 4.22Å; Y23-L41 HydrophobicContact CG-CG 4.2Å; Y23-E44 HydrophobicContact CE1-CB 4.44Å; Y23-E44 WeakPolarHBondContact OH-CB 3.48Å; Y23-E44 PolarHBondContact OH-OE2 2.95Å; Y23-E45 HydrophobicContact CE2-CG 3.65Å; Y23-E45 WeakPolarHBondContact CE2-OE1 3.2Å; Y23-E45 VanDerWaalsContact OH-CG 3.31Å; Y23-E45 WeakPolarHBondContact OH-CG 3.19Å; Y23-E45 PolarHBondContact OH-OE1 3.4Å
24	S	95.9	Very high	94.2	Very high	12 Å²	12	68.9 Å²	68.9	8%	0.084	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	145.1	-178	77.3	0	0	0	0	113.1	F20 K26 K30 T32	F20-S24 PolarHBondContact O-N 3.03Å; S24-K26 VanDerWaalsContact C-N 3.28Å; S24-K26 PolarHBondContact O-N 3.33Å; S24-K30 PolarHBondContact OG-O 2.81Å; S24-T32 WeakPolarHBondContact CB-O 3.38Å
25	G	92.6	Very high	94	Very high	35 Å²	35	68.2 Å²	68.2	36%	0.361	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	13.8	174.8	0	0	0	0	0	115.7	E27 D29 E37	G25-E27 VanDerWaalsContact C-N 3.28Å; G25-D29 PolarHBondContact N-O 3.45Å; G25-E37 PolarHBondContact N-OE1 3.31Å
26	K	92.3	Very high	93.8	Very high	101 Å²	101	64 Å²	64	44%	0.439	34%	0.336	S	S	.	.	S	Bend	trans	-68.7	-34.8	161.1	-64.6	178.5	-178.1	173.3	0	110	K22 Y23 S24 E37 E40	K22-K26 WeakPolarHBondContact O-CE 3.31Å; Y23-K26 WeakPolarHBondContact O-CG 3.46Å; S24-K26 VanDerWaalsContact C-N 3.28Å; S24-K26 PolarHBondContact O-N 3.33Å; K26-E37 WeakPolarHBondContact CA-OE1 3.47Å; K26-E37 HydrophobicContact CB-CG 4.23Å; K26-E37 WeakPolarHBondContact CB-OE1 3.4Å; K26-E37 PolarHBondContact N-OE1 2.93Å; K26-E40 IonicContact NZ-OE1 3.09Å; K26-E40 PolarHBondContact NZ-OE1 2.85Å; K26-E40 IonicContact NZ-OE2 2.88Å; K26-E40 PolarHBondContact NZ-OE2 2.75Å
27	E	87.6	Confident	93.7	Very high	123 Å²	123	61.5 Å²	61.5	58%	0.575	32%	0.322	S	S	*	.	S	Bend	trans	-133.5	130.5	177.1	-61.3	-176.9	-170.3	0	0	109.7	G25 D29 E37	G25-E27 VanDerWaalsContact C-N 3.28Å; E27-D29 PolarHBondContact O-N 3.43Å; E27-E37 PolarHBondContact N-OE1 3.06Å
28	G	88	Confident	93.4	Very high	81 Å²	81	58.9 Å²	58.9	84%	0.835	31%	0.309	S	S	*	.	S	Bend	trans	72.1	-125	173.7	0	0	0	0	0	114.5
29	D	92.1	Very high	93	Very high	67 Å²	67	58.6 Å²	58.6	36%	0.358	30%	0.304	S	S	.	.			trans	-87.5	133.8	-175.3	-169.6	-10.2	0	0	0	111.8	G25 E27 Y31 T32	G25-D29 PolarHBondContact N-O 3.45Å; E27-D29 PolarHBondContact O-N 3.43Å; D29-Y31 VanDerWaalsContact C-N 3.26Å; D29-Y31 PolarHBondContact O-N 2.87Å; D29-Y31 WeakPolarHBondContact OD1-CD2 3.18Å; D29-Y31 PolarHBondContact OD1-N 3.13Å; D29-T32 VanDerWaalsContact O-O 3.11Å
30	K	94.5	Very high	92.8	Very high	123 Å²	123	60.1 Å²	60.1	54%	0.535	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.1	178.3	69.9	-178.9	-176.4	-179	0	114.1	S24	S24-K30 PolarHBondContact OG-O 2.81Å
31	Y	95.3	Very high	92.6	Very high	151 Å²	151	60.1 Å²	60.1	59%	0.592	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.3	-179.5	-62.5	-69.5	0	0	0	113.2	F20 D29	F20-Y31 WeakPolarHBondContact CZ-O 3.45Å; D29-Y31 VanDerWaalsContact C-N 3.26Å; D29-Y31 PolarHBondContact O-N 2.87Å; D29-Y31 WeakPolarHBondContact OD1-CD2 3.18Å; D29-Y31 PolarHBondContact OD1-N 3.13Å
32	T	95.8	Very high	92	Very high	12 Å²	12	55 Å²	55	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	167.1	-176.6	60.8	0	0	0	0	110.7	S24 D29 E73 V74 D75	S24-T32 WeakPolarHBondContact CB-O 3.38Å; D29-T32 VanDerWaalsContact O-O 3.11Å; T32-E73 WeakPolarHBondContact CB-OE2 3.19Å; T32-E73 HydrophobicContact CG2-CB 4.26Å; T32-E73 PolarHBondContact OG1-OE2 3.07Å; T32-V74 CarbonylContact C-O 3.51Å; T32-V74 VanDerWaalsContact CA-O 3.31Å; T32-V74 WeakPolarHBondContact CA-O 3.45Å; T32-D75 HydrophobicContact CG2-CB 4.27Å
33	L	94.6	Very high	91.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.3	167.9	-64.7	163.2	0	0	0	108.1	F20 E37 L38 L41 E73 V74 F79	F20-L33 HydrophobicContact CD2-CD1 3.76Å; F20-L33 HydrophobicContact CD2-CG 4.1Å; F20-L33 HydrophobicContact CE2-CD1 3.66Å; F20-L33 HydrophobicContact CE2-CG 3.69Å; F20-L33 HydrophobicContact CZ-CG 4.23Å; L33-E37 HydrophobicContact CB-CB 4.39Å; L33-E37 HydrophobicContact CD2-CB 3.9Å; L33-L38 HydrophobicContact CB-CB 4.49Å; L33-L38 HydrophobicContact CD1-CD1 4.43Å; L33-L41 HydrophobicContact CD1-CD1 3.93Å; L33-E73 CarbonylContact O-C 3.22Å; L33-E73 WeakPolarHBondContact O-CA 3.44Å; L33-V74 HydrophobicContact CB-CB 4.27Å; L33-V74 PolarHBondContact N-O 3.14Å; L33-V74 PolarHBondContact O-N 3.2Å; L33-F79 HydrophobicContact CD1-CD2 4.38Å
34	S	93.3	Very high	91	Very high	17 Å²	17	57.7 Å²	57.7	12%	0.119	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	165.3	163.8	65.6	0	0	0	0	111	G36 E37 L38	S34-G36 PolarHBondContact O-N 3.2Å; S34-E37 WeakPolarHBondContact CB-OE2 3.47Å; S34-E37 PolarHBondContact N-OE2 3.34Å; S34-E37 PolarHBondContact O-N 2.75Å; S34-E37 VanDerWaalsContact O-N 3.13Å; S34-E37 VanDerWaalsContact OG-CD 3.26Å; S34-E37 VanDerWaalsContact OG-CG 3.26Å; S34-E37 WeakPolarHBondContact OG-CG 3.34Å; S34-E37 PolarHBondContact OG-N 3.5Å; S34-E37 PolarHBondContact OG-OE2 3Å; S34-L38 PolarHBondContact O-N 2.89Å
35	R	89.1	Confident	90.7	Very high	82 Å²	82	60.9 Å²	60.9	31%	0.309	32%	0.316	S	S	.	.	H	α-helix	trans	-52.5	-39.5	174.9	-137.3	174.5	-162.6	92.3	4.4	113	R39 E60 M63 N64	R35-R39 WeakPolarHBondContact O-CB 3.18Å; R35-R39 PolarHBondContact O-N 2.86Å; R35-R39 VanDerWaalsContact O-N 3.11Å; R35-E60 VanDerWaalsContact CD-OE1 3.3Å; R35-E60 WeakPolarHBondContact CD-OE1 3.39Å; R35-E60 IonicContact CZ-OE1 2.68Å; R35-E60 IonicContact CZ-OE2 3.69Å; R35-E60 IonicContact NE-OE1 2.73Å; R35-E60 PolarHBondContact NE-OE1 3.29Å; R35-E60 IonicContact NE-OE2 2.7Å; R35-E60 PolarHBondContact NE-OE2 2.91Å; R35-E60 IonicContact NH2-OE1 3.87Å; R35-E60 IonicContact NH2-OE2 2.61Å; R35-E60 PolarHBondContact NH2-OE2 3.37Å; R35-M63 HydrophobicContact CG-CG 4.08Å; R35-M63 HydrophobicContact CG-SD 4.14Å; R35-N64 PolarHBondContact NH2-OD1 3.28Å; R35-N64 VanDerWaalsContact NH2-OD1 3.12Å
36	G	90.4	Very high	90.1	Very high	39 Å²	39	60.4 Å²	60.4	40%	0.402	31%	0.305	S	S	.	.	H	α-helix	trans	-68.8	-44.1	178.5	0	0	0	0	0	112.5	S34 R39 E40	S34-G36 PolarHBondContact O-N 3.2Å; G36-R39 WeakPolarHBondContact O-CB 3.42Å; G36-R39 PolarHBondContact O-N 3.33Å; G36-E40 PolarHBondContact O-N 3.24Å; G36-E40 VanDerWaalsContact O-N 3.08Å
37	E	93.6	Very high	89.2	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-39.8	178.9	-67.4	164.5	141.6	0	0	111.9	Y23 G25 K26 E27 L33 S34 R39 E40 L41	Y23-E37 VanDerWaalsContact O-CD 3.25Å; Y23-E37 VanDerWaalsContact O-CG 3.27Å; Y23-E37 WeakPolarHBondContact O-CG 3.47Å; Y23-E37 VanDerWaalsContact O-OE1 3.05Å; G25-E37 PolarHBondContact N-OE1 3.31Å; K26-E37 WeakPolarHBondContact CA-OE1 3.47Å; K26-E37 HydrophobicContact CB-CG 4.23Å; K26-E37 WeakPolarHBondContact CB-OE1 3.4Å; K26-E37 PolarHBondContact N-OE1 2.93Å; E27-E37 PolarHBondContact N-OE1 3.06Å; L33-E37 HydrophobicContact CB-CB 4.39Å; L33-E37 HydrophobicContact CD2-CB 3.9Å; S34-E37 WeakPolarHBondContact CB-OE2 3.47Å; S34-E37 PolarHBondContact N-OE2 3.34Å; S34-E37 PolarHBondContact O-N 2.75Å; S34-E37 VanDerWaalsContact O-N 3.13Å; S34-E37 VanDerWaalsContact OG-CD 3.26Å; S34-E37 VanDerWaalsContact OG-CG 3.26Å; S34-E37 WeakPolarHBondContact OG-CG 3.34Å; S34-E37 PolarHBondContact OG-N 3.5Å; S34-E37 PolarHBondContact OG-OE2 3Å; E37-R39 VanDerWaalsContact C-N 3.34Å; E37-R39 PolarHBondContact O-N 3.49Å; E37-E40 PolarHBondContact O-N 2.7Å; E37-L41 WeakPolarHBondContact O-CB 3.26Å; E37-L41 PolarHBondContact O-N 3.05Å
38	L	90	Very high	88.4	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-45.9	173.2	-179.3	63.9	0	0	0	110.4	L33 S34 E40 L41 L42 M63 V74	L33-L38 HydrophobicContact CB-CB 4.49Å; L33-L38 HydrophobicContact CD1-CD1 4.43Å; S34-L38 PolarHBondContact O-N 2.89Å; L38-E40 VanDerWaalsContact C-N 3.29Å; L38-E40 PolarHBondContact O-N 2.91Å; L38-L41 PolarHBondContact O-N 2.9Å; L38-L42 HydrophobicContact CD1-CD1 4.28Å; L38-L42 HydrophobicContact CD1-CD2 4.27Å; L38-L42 HydrophobicContact CD1-CG 4.07Å; L38-L42 HydrophobicContact CG-CD1 4.03Å; L38-L42 HydrophobicContact CG-CG 4.23Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.27Å; L38-M63 HydrophobicContact CD2-CB 4.18Å; L38-M63 HydrophobicContact CD2-SD 3.47Å; L38-M63 WeakPolarHBondContact CD2-SD 3.19Å; L38-V74 HydrophobicContact CD2-CG2 4.11Å
39	R	87.4	Confident	87.3	Confident	132 Å²	132	58.8 Å²	58.8	50%	0.498	29%	0.285	S	S	.	.	H	α-helix	trans	-55.6	-45.3	176.1	-179.8	161.1	177.2	-103.3	-2.6	112.3	R35 G36 E37 T43 V59	R35-R39 WeakPolarHBondContact O-CB 3.18Å; R35-R39 PolarHBondContact O-N 2.86Å; R35-R39 VanDerWaalsContact O-N 3.11Å; G36-R39 WeakPolarHBondContact O-CB 3.42Å; G36-R39 PolarHBondContact O-N 3.33Å; E37-R39 VanDerWaalsContact C-N 3.34Å; E37-R39 PolarHBondContact O-N 3.49Å; R39-T43 WeakPolarHBondContact O-CB 3.34Å; R39-T43 PolarHBondContact O-N 2.91Å; R39-T43 PolarHBondContact O-OG1 3.27Å; R39-V59 HydrophobicContact CB-CG1 3.91Å; R39-V59 HydrophobicContact CB-CG2 4.33Å; R39-V59 HydrophobicContact CG-CG1 4.42Å; R39-V59 HydrophobicContact CG-CG2 4.02Å
40	E	90.8	Very high	86.1	Confident	66 Å²	66	57.5 Å²	57.5	31%	0.308	28%	0.277	S	S	.	.	H	α-helix	trans	-63.1	-47.8	179.1	-163.8	-171	173.4	0	0	110.7	Y23 K26 G36 E37 L38 L42 T43 E44	Y23-E40 HydrophobicContact CD1-CB 4.08Å; Y23-E40 HydrophobicContact CD1-CG 4.04Å; Y23-E40 HydrophobicContact CE1-CB 4.27Å; Y23-E40 HydrophobicContact CE1-CG 3.9Å; K26-E40 IonicContact NZ-OE1 3.09Å; K26-E40 PolarHBondContact NZ-OE1 2.85Å; K26-E40 IonicContact NZ-OE2 2.88Å; K26-E40 PolarHBondContact NZ-OE2 2.75Å; G36-E40 PolarHBondContact O-N 3.24Å; G36-E40 VanDerWaalsContact O-N 3.08Å; E37-E40 PolarHBondContact O-N 2.7Å; L38-E40 VanDerWaalsContact C-N 3.29Å; L38-E40 PolarHBondContact O-N 2.91Å; E40-L42 PolarHBondContact O-N 3.19Å; E40-T43 PolarHBondContact O-N 3.38Å; E40-E44 WeakPolarHBondContact O-CB 3.47Å; E40-E44 PolarHBondContact O-N 3.26Å
41	L	91.7	Very high	84.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-55.9	-52.2	176.7	-175.4	159.9	0	0	0	111.7	T19 Y23 L33 E37 L38 T43 E44 E45 L46 F79	T19-L41 HydrophobicContact CG2-CD1 4.45Å; Y23-L41 HydrophobicContact CD1-CB 4.04Å; Y23-L41 HydrophobicContact CD2-CB 3.71Å; Y23-L41 HydrophobicContact CD2-CD1 3.68Å; Y23-L41 HydrophobicContact CD2-CG 3.66Å; Y23-L41 HydrophobicContact CE1-CB 4.33Å; Y23-L41 HydrophobicContact CE2-CB 4.02Å; Y23-L41 HydrophobicContact CE2-CD1 4.32Å; Y23-L41 HydrophobicContact CE2-CG 3.87Å; Y23-L41 HydrophobicContact CG-CB 3.74Å; Y23-L41 HydrophobicContact CG-CD1 4.22Å; Y23-L41 HydrophobicContact CG-CG 4.2Å; L33-L41 HydrophobicContact CD1-CD1 3.93Å; E37-L41 WeakPolarHBondContact O-CB 3.26Å; E37-L41 PolarHBondContact O-N 3.05Å; L38-L41 PolarHBondContact O-N 2.9Å; L41-T43 PolarHBondContact O-N 2.73Å; L41-E44 PolarHBondContact O-N 2.74Å; L41-E45 HydrophobicContact CG-CG 4.43Å; L41-E45 WeakPolarHBondContact O-CB 3.47Å; L41-E45 PolarHBondContact O-N 2.9Å; L41-L46 HydrophobicContact CD2-CD1 4.49Å; L41-F79 HydrophobicContact CD1-CD2 4.28Å; L41-F79 HydrophobicContact CD1-CE2 3.8Å; L41-F79 HydrophobicContact CD2-CE2 4.27Å
42	L	84.6	Confident	82.6	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-35.6	-179.1	-64.8	-179.9	0	0	0	111.4	L38 E40 L46 G47 L50 V59 V62 L82	L38-L42 HydrophobicContact CD1-CD1 4.28Å; L38-L42 HydrophobicContact CD1-CD2 4.27Å; L38-L42 HydrophobicContact CD1-CG 4.07Å; L38-L42 HydrophobicContact CG-CD1 4.03Å; L38-L42 HydrophobicContact CG-CG 4.23Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.27Å; E40-L42 PolarHBondContact O-N 3.19Å; L42-L46 HydrophobicContact CD2-CD1 3.73Å; L42-L46 CarbonylContact O-C 3.47Å; L42-L46 VanDerWaalsContact O-C 3.22Å; L42-L46 WeakPolarHBondContact O-CA 3.4Å; L42-L46 WeakPolarHBondContact O-CB 3.14Å; L42-L46 PolarHBondContact O-N 2.68Å; L42-G47 PolarHBondContact O-N 3.49Å; L42-G47 VanDerWaalsContact O-N 3.08Å; L42-L50 HydrophobicContact CB-CD1 3.84Å; L42-L50 HydrophobicContact CD2-CD1 3.95Å; L42-L50 HydrophobicContact CG-CD1 4.29Å; L42-V59 HydrophobicContact CD1-CG2 4.4Å; L42-V62 HydrophobicContact CD1-CB 4.22Å; L42-V62 HydrophobicContact CD1-CG1 3.87Å; L42-L82 HydrophobicContact CD2-CD2 3.9Å
43	T	83.6	Confident	80.6	Confident	47 Å²	47	54.7 Å²	54.7	29%	0.288	29%	0.292	S	S	.	.	H	α-helix	trans	-73.7	-44.9	-179.6	-58.4	0	0	0	0	112.1	R39 E40 L41 G47	R39-T43 WeakPolarHBondContact O-CB 3.34Å; R39-T43 PolarHBondContact O-N 2.91Å; R39-T43 PolarHBondContact O-OG1 3.27Å; E40-T43 PolarHBondContact O-N 3.38Å; L41-T43 PolarHBondContact O-N 2.73Å; T43-G47 WeakPolarHBondContact O-CA 3.48Å; T43-G47 PolarHBondContact O-N 2.95Å
44	E	89	Confident	78.9	Confident	112 Å²	112	60.4 Å²	60.4	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-80.7	-44.9	-174.8	-74.3	-165.1	-175.3	0	0	113.2	K22 Y23 E40 L41	K22-E44 IonicContact NZ-OE2 3.14Å; K22-E44 PolarHBondContact NZ-OE2 2.87Å; K22-E44 VanDerWaalsContact NZ-OE2 3.09Å; Y23-E44 HydrophobicContact CE1-CB 4.44Å; Y23-E44 WeakPolarHBondContact OH-CB 3.48Å; Y23-E44 PolarHBondContact OH-OE2 2.95Å; E40-E44 WeakPolarHBondContact O-CB 3.47Å; E40-E44 PolarHBondContact O-N 3.26Å; L41-E44 PolarHBondContact O-N 2.74Å
45	E	88.6	Confident	77.5	Confident	78 Å²	78	63.4 Å²	63.4	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-89.9	-32.5	-173.8	-55.1	-64.7	157.9	0	0	112.2	T19 K22 Y23 L41	T19-E45 HydrophobicContact CG2-CG 3.82Å; K22-E45 IonicContact NZ-OE1 2.78Å; K22-E45 PolarHBondContact NZ-OE1 2.85Å; Y23-E45 HydrophobicContact CE2-CG 3.65Å; Y23-E45 WeakPolarHBondContact CE2-OE1 3.2Å; Y23-E45 VanDerWaalsContact OH-CG 3.31Å; Y23-E45 WeakPolarHBondContact OH-CG 3.19Å; Y23-E45 PolarHBondContact OH-OE1 3.4Å; L41-E45 HydrophobicContact CG-CG 4.43Å; L41-E45 WeakPolarHBondContact O-CB 3.47Å; L41-E45 PolarHBondContact O-N 2.9Å
46	L	80.3	Confident	76.5	Confident	25 Å²	25	61.7 Å²	61.7	13%	0.131	34%	0.336	C	S	.	.	S	Bend	trans	-120	7.7	-171.4	-56.8	173.8	0	0	0	113.4	L41 L42 S48 Y49 L50 M83 L86	L41-L46 HydrophobicContact CD2-CD1 4.49Å; L42-L46 HydrophobicContact CD2-CD1 3.73Å; L42-L46 CarbonylContact O-C 3.47Å; L42-L46 VanDerWaalsContact O-C 3.22Å; L42-L46 WeakPolarHBondContact O-CA 3.4Å; L42-L46 WeakPolarHBondContact O-CB 3.14Å; L42-L46 PolarHBondContact O-N 2.68Å; L46-S48 PolarHBondContact O-N 3.44Å; L46-Y49 PolarHBondContact O-N 3.12Å; L46-L50 HydrophobicContact CB-CD1 3.77Å; L46-L50 HydrophobicContact CB-CG 4.11Å; L46-L50 HydrophobicContact CD1-CD1 4.33Å; L46-L50 PolarHBondContact O-N 3.35Å; L46-M83 HydrophobicContact CD1-CE 3.93Å; L46-L86 HydrophobicContact CD1-CD1 3.68Å
47	G	72.8	Confident	75.8	Confident	4 Å²	4	65.5 Å²	65.5	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-27.1	-173.7	0	0	0	0	0	114	L42 T43 G51 R54	L42-G47 PolarHBondContact O-N 3.49Å; L42-G47 VanDerWaalsContact O-N 3.08Å; T43-G47 WeakPolarHBondContact O-CA 3.48Å; T43-G47 PolarHBondContact O-N 2.95Å; G47-G51 PolarHBondContact O-N 3.32Å; G47-R54 PolarHBondContact O-NE 3.38Å; G47-R54 PolarHBondContact O-NH2 3.23Å
48	S	71.3	Confident	74.8	Confident	104 Å²	104	66 Å²	66	73%	0.727	35%	0.349	S	S	*	.	H	α-helix	trans	-74.9	-33.3	174.5	52.5	0	0	0	0	112.9	L46	L46-S48 PolarHBondContact O-N 3.44Å
49	Y	65.7	Low	74.2	Confident	164 Å²	164	66.1 Å²	66.1	64%	0.643	35%	0.35	S	S	*	.	H	α-helix	trans	-79.2	-39.6	178.4	-88.4	-85.8	0	0	0	112.4	L46 C90	L46-Y49 PolarHBondContact O-N 3.12Å; Y49-C90 HydrophobicContact CE1-CB 4.2Å; Y49-C90 WeakPolarHBondContact CE1-SG 3.41Å
50	L	65.2	Low	73.9	Confident	40 Å²	40	63.4 Å²	63.4	21%	0.209	34%	0.343	C	S	.	.	H	α-helix	trans	-86.2	-8.5	-173.4	-68.4	175.8	0	0	0	113.7	L42 L46 N52 A53	L42-L50 HydrophobicContact CB-CD1 3.84Å; L42-L50 HydrophobicContact CD2-CD1 3.95Å; L42-L50 HydrophobicContact CG-CD1 4.29Å; L46-L50 HydrophobicContact CB-CD1 3.77Å; L46-L50 HydrophobicContact CB-CG 4.11Å; L46-L50 HydrophobicContact CD1-CD1 4.33Å; L46-L50 PolarHBondContact O-N 3.35Å; L50-N52 PolarHBondContact O-N 3.46Å; L50-N52 VanDerWaalsContact O-N 3.09Å; L50-A53 HydrophobicContact CB-CB 4.26Å; L50-A53 VanDerWaalsContact O-CB 3.31Å; L50-A53 WeakPolarHBondContact O-CB 3.16Å; L50-A53 PolarHBondContact O-N 3.07Å
51	G	65.7	Low	73.3	Confident	39 Å²	39	65.7 Å²	65.7	40%	0.402	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	-116.8	175.2	0	0	0	0	0	112.9	G47 R54	G47-G51 PolarHBondContact O-N 3.32Å; G51-R54 WeakPolarHBondContact O-CD 3.15Å; G51-R54 WeakPolarHBondContact O-CG 3.33Å; G51-R54 PolarHBondContact O-NE 2.89Å
52	N	52.3	Low	72.8	Confident	153 Å²	153	67 Å²	67	82%	0.818	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.9	179.6	-77.6	-12.1	0	0	0	114.9	L50 R54 D55	L50-N52 PolarHBondContact O-N 3.46Å; L50-N52 VanDerWaalsContact O-N 3.09Å; N52-R54 PolarHBondContact O-N 3.09Å; N52-D55 PolarHBondContact O-N 3.22Å
53	A	53.4	Low	72.7	Confident	34 Å²	34	66.7 Å²	66.7	28%	0.281	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	15.6	177.1	0	0	0	0	0	113.8	L50	L50-A53 HydrophobicContact CB-CB 4.26Å; L50-A53 VanDerWaalsContact O-CB 3.31Å; L50-A53 WeakPolarHBondContact O-CB 3.16Å; L50-A53 PolarHBondContact O-N 3.07Å
54	R	57.8	Low	72.7	Confident	120 Å²	120	69.1 Å²	69.1	45%	0.453	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.4	168.6	-60.5	175	-176	-155.5	3.8	112.1	G47 G51 N52	G47-R54 PolarHBondContact O-NE 3.38Å; G47-R54 PolarHBondContact O-NH2 3.23Å; G51-R54 WeakPolarHBondContact O-CD 3.15Å; G51-R54 WeakPolarHBondContact O-CG 3.33Å; G51-R54 PolarHBondContact O-NE 2.89Å; N52-R54 PolarHBondContact O-N 3.09Å
55	D	65.3	Low	72.2	Confident	81 Å²	81	68.1 Å²	68.1	43%	0.433	37%	0.367	S	S	.	.	S	Bend	trans	-66.3	156.2	170.4	59.7	9.1	0	0	0	110.6	N52 E57 G58 V59	N52-D55 PolarHBondContact O-N 3.22Å; D55-E57 PolarHBondContact O-N 3.44Å; D55-G58 PolarHBondContact O-N 3.48Å; D55-G58 WeakPolarHBondContact OD1-CA 3.27Å; D55-G58 PolarHBondContact OD1-N 3.44Å; D55-V59 PolarHBondContact O-N 2.77Å
56	G	67.8	Low	71.8	Confident	45 Å²	45	64.9 Å²	64.9	46%	0.464	35%	0.353	S	S	.	.	H	α-helix	trans	-55.1	-39.7	179.5	0	0	0	0	0	110.8	G58 V59 E60	G56-G58 PolarHBondContact O-N 2.92Å; G56-V59 PolarHBondContact O-N 3.09Å; G56-E60 WeakPolarHBondContact O-CG 3.43Å; G56-E60 PolarHBondContact O-N 3.38Å
57	E	74.3	Confident	72	Confident	120 Å²	120	64.3 Å²	64.3	56%	0.561	35%	0.35	S	S	*	.	H	α-helix	trans	-65.6	-39	-176.5	-158.3	-170.9	148.4	0	0	113.9	D55 E60 K61	D55-E57 PolarHBondContact O-N 3.44Å; E57-E60 PolarHBondContact O-N 3.08Å; E57-K61 WeakPolarHBondContact O-CG 3.2Å; E57-K61 PolarHBondContact O-N 3.42Å; E57-K61 WeakPolarHBondContact OE1-CE 3.33Å; E57-K61 IonicContact OE1-NZ 2.95Å; E57-K61 PolarHBondContact OE1-NZ 3.3Å
58	G	73.9	Confident	72.4	Confident	12 Å²	12	68.3 Å²	68.3	12%	0.124	38%	0.382	C	S	.	.	H	α-helix	trans	-64.7	-43.8	175.9	0	0	0	0	0	112.1	D55 G56 K61 V62	D55-G58 PolarHBondContact O-N 3.48Å; D55-G58 WeakPolarHBondContact OD1-CA 3.27Å; D55-G58 PolarHBondContact OD1-N 3.44Å; G56-G58 PolarHBondContact O-N 2.92Å; G58-K61 PolarHBondContact O-N 3Å; G58-V62 WeakPolarHBondContact O-CG2 3.47Å; G58-V62 PolarHBondContact O-N 3.23Å
59	V	76.6	Confident	73.1	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.024	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-41.3	175.6	177.8	0	0	0	0	111.4	R39 L42 D55 G56 K61 V62 M63	R39-V59 HydrophobicContact CB-CG1 3.91Å; R39-V59 HydrophobicContact CB-CG2 4.33Å; R39-V59 HydrophobicContact CG-CG1 4.42Å; R39-V59 HydrophobicContact CG-CG2 4.02Å; L42-V59 HydrophobicContact CD1-CG2 4.4Å; D55-V59 PolarHBondContact O-N 2.77Å; G56-V59 PolarHBondContact O-N 3.09Å; V59-K61 VanDerWaalsContact C-N 3.32Å; V59-K61 PolarHBondContact O-N 2.61Å; V59-V62 PolarHBondContact O-N 2.93Å; V59-M63 WeakPolarHBondContact O-CB 3.43Å; V59-M63 PolarHBondContact O-N 3.47Å
60	E	80.6	Confident	74.1	Confident	75 Å²	75	64.6 Å²	64.6	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-42.3	176.1	-71.9	-62.1	127.9	0	0	112	R35 G56 E57 M63 N64	R35-E60 VanDerWaalsContact CD-OE1 3.3Å; R35-E60 WeakPolarHBondContact CD-OE1 3.39Å; R35-E60 IonicContact CZ-OE1 2.68Å; R35-E60 IonicContact CZ-OE2 3.69Å; R35-E60 IonicContact NE-OE1 2.73Å; R35-E60 PolarHBondContact NE-OE1 3.29Å; R35-E60 IonicContact NE-OE2 2.7Å; R35-E60 PolarHBondContact NE-OE2 2.91Å; R35-E60 IonicContact NH2-OE1 3.87Å; R35-E60 IonicContact NH2-OE2 2.61Å; R35-E60 PolarHBondContact NH2-OE2 3.37Å; G56-E60 WeakPolarHBondContact O-CG 3.43Å; G56-E60 PolarHBondContact O-N 3.38Å; E57-E60 PolarHBondContact O-N 3.08Å; E60-M63 PolarHBondContact O-N 3.32Å; E60-N64 WeakPolarHBondContact O-CB 3.39Å; E60-N64 PolarHBondContact O-N 3.44Å; E60-N64 PolarHBondContact O-ND2 2.87Å; E60-N64 VanDerWaalsContact O-ND2 3.14Å
61	K	79.8	Confident	75.2	Confident	113 Å²	113	66.9 Å²	66.9	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-64	-48.9	176.1	-73.6	173.6	-172.3	165.2	0	111.1	E57 G58 V59 M63 N64 D65	E57-K61 WeakPolarHBondContact O-CG 3.2Å; E57-K61 PolarHBondContact O-N 3.42Å; E57-K61 WeakPolarHBondContact OE1-CE 3.33Å; E57-K61 IonicContact OE1-NZ 2.95Å; E57-K61 PolarHBondContact OE1-NZ 3.3Å; G58-K61 PolarHBondContact O-N 3Å; V59-K61 VanDerWaalsContact C-N 3.32Å; V59-K61 PolarHBondContact O-N 2.61Å; K61-M63 VanDerWaalsContact C-N 3.3Å; K61-M63 PolarHBondContact O-N 2.88Å; K61-N64 PolarHBondContact O-N 3.09Å; K61-D65 VanDerWaalsContact O-CB 3.26Å; K61-D65 WeakPolarHBondContact O-CB 3.31Å; K61-D65 VanDerWaalsContact O-CG 3.26Å; K61-D65 PolarHBondContact O-N 3.23Å
62	V	80	Confident	76.3	Confident	31 Å²	31	66.3 Å²	66.3	19%	0.188	38%	0.38	C	S	.	.	H	α-helix	trans	-60.1	-40.9	177.5	174.2	0	0	0	0	111.4	L42 G58 V59 D65 L66 L82	L42-V62 HydrophobicContact CD1-CB 4.22Å; L42-V62 HydrophobicContact CD1-CG1 3.87Å; G58-V62 WeakPolarHBondContact O-CG2 3.47Å; G58-V62 PolarHBondContact O-N 3.23Å; V59-V62 PolarHBondContact O-N 2.93Å; V62-D65 PolarHBondContact O-N 3.07Å; V62-L66 HydrophobicContact CG1-CD1 3.64Å; V62-L66 HydrophobicContact CG1-CG 4.35Å; V62-L66 WeakPolarHBondContact O-CB 3.32Å; V62-L66 WeakPolarHBondContact O-CG 3.33Å; V62-L66 PolarHBondContact O-N 3.33Å; V62-L66 VanDerWaalsContact O-N 3.1Å; V62-L82 HydrophobicContact CG1-CD1 4.28Å; V62-L82 HydrophobicContact CG1-CD2 4.46Å
63	M	83.1	Confident	78.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-53.4	175.7	-173.6	77.9	-169.9	0	0	111.1	R35 L38 V59 E60 K61 D65 L66 D67 G72 V74	R35-M63 HydrophobicContact CG-CG 4.08Å; R35-M63 HydrophobicContact CG-SD 4.14Å; L38-M63 HydrophobicContact CD2-CB 4.18Å; L38-M63 HydrophobicContact CD2-SD 3.47Å; L38-M63 WeakPolarHBondContact CD2-SD 3.19Å; V59-M63 WeakPolarHBondContact O-CB 3.43Å; V59-M63 PolarHBondContact O-N 3.47Å; E60-M63 PolarHBondContact O-N 3.32Å; K61-M63 VanDerWaalsContact C-N 3.3Å; K61-M63 PolarHBondContact O-N 2.88Å; M63-D65 PolarHBondContact O-N 3.1Å; M63-L66 PolarHBondContact O-N 3.06Å; M63-D67 HydrophobicContact CE-CB 4.34Å; M63-D67 WeakPolarHBondContact O-CB 3.45Å; M63-D67 PolarHBondContact O-N 2.88Å; M63-G72 WeakPolarHBondContact CE-O 3.42Å; M63-V74 HydrophobicContact CE-CG2 3.73Å; M63-V74 HydrophobicContact SD-CG2 3.66Å
64	N	82.9	Confident	80.1	Confident	98 Å²	98	60.1 Å²	60.1	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-63.4	-28.1	-178.2	-64.5	-22.4	0	0	0	112.6	R35 E60 K61	R35-N64 PolarHBondContact NH2-OD1 3.28Å; R35-N64 VanDerWaalsContact NH2-OD1 3.12Å; E60-N64 WeakPolarHBondContact O-CB 3.39Å; E60-N64 PolarHBondContact O-N 3.44Å; E60-N64 PolarHBondContact O-ND2 2.87Å; E60-N64 VanDerWaalsContact O-ND2 3.14Å; K61-N64 PolarHBondContact O-N 3.09Å
65	D	79.5	Confident	81.9	Confident	91 Å²	91	57 Å²	57	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-75.3	-27.7	176.6	-83	-10.8	0	0	0	112.6	K61 V62 M63 F107	K61-D65 VanDerWaalsContact O-CB 3.26Å; K61-D65 WeakPolarHBondContact O-CB 3.31Å; K61-D65 VanDerWaalsContact O-CG 3.26Å; K61-D65 PolarHBondContact O-N 3.23Å; V62-D65 PolarHBondContact O-N 3.07Å; M63-D65 PolarHBondContact O-N 3.1Å; D65-F107 HydrophobicContact CB-CE1 3.44Å; D65-F107 VanDerWaalsContact CB-CE1 3.44Å; D65-F107 HydrophobicContact CB-CZ 3.78Å; D65-F107 WeakPolarHBondContact O-CE1 3.4Å; D65-F107 WeakPolarHBondContact O-CZ 3.24Å
66	L	80.8	Confident	83.3	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.052	33%	0.327	C	S	.	.	H	α-helix	trans	-98.4	-35.6	-177.4	-66.5	172.9	0	0	0	114.3	V62 M63 A68 V74 E78 L82	V62-L66 HydrophobicContact CG1-CD1 3.64Å; V62-L66 HydrophobicContact CG1-CG 4.35Å; V62-L66 WeakPolarHBondContact O-CB 3.32Å; V62-L66 WeakPolarHBondContact O-CG 3.33Å; V62-L66 PolarHBondContact O-N 3.33Å; V62-L66 VanDerWaalsContact O-N 3.1Å; M63-L66 PolarHBondContact O-N 3.06Å; L66-A68 PolarHBondContact O-N 3.49Å; L66-V74 HydrophobicContact CB-CG2 4.23Å; L66-E78 WeakPolarHBondContact O-CG 3.31Å; L66-L82 HydrophobicContact CD1-CB 3.86Å; L66-L82 HydrophobicContact CD1-CD1 4.04Å; L66-L82 HydrophobicContact CD1-CD2 3.76Å; L66-L82 HydrophobicContact CD1-CG 4.05Å; L66-L82 HydrophobicContact CD2-CB 3.56Å; L66-L82 HydrophobicContact CD2-CD1 4.11Å; L66-L82 HydrophobicContact CD2-CG 4.33Å; L66-L82 HydrophobicContact CG-CB 4.35Å; L66-L82 HydrophobicContact CG-CD1 4.48Å
67	D	83.6	Confident	84.5	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.07	33%	0.332	C	S	.	.			trans	-70.4	72.7	179.3	179.1	10.1	0	0	0	109.9	M63 N69 S70 D71 G72	M63-D67 HydrophobicContact CE-CB 4.34Å; M63-D67 WeakPolarHBondContact O-CB 3.45Å; M63-D67 PolarHBondContact O-N 2.88Å; D67-N69 VanDerWaalsContact C-N 3.28Å; D67-N69 PolarHBondContact O-N 3.04Å; D67-N69 PolarHBondContact OD1-OD1 3.42Å; D67-S70 VanDerWaalsContact CG-CA 3.48Å; D67-S70 PolarHBondContact O-N 3.4Å; D67-S70 WeakPolarHBondContact OD1-CA 3.41Å; D67-S70 PolarHBondContact OD1-N 2.84Å; D67-S70 WeakPolarHBondContact OD2-CA 3.48Å; D67-D71 PolarHBondContact OD1-N 3.03Å; D67-G72 PolarHBondContact OD1-N 3.01Å; D67-G72 VanDerWaalsContact OD2-CA 3.24Å; D67-G72 WeakPolarHBondContact OD2-CA 3.36Å; D67-G72 PolarHBondContact OD2-N 3.35Å
68	A	80.7	Confident	85.3	Confident	88 Å²	88	53.8 Å²	53.8	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.5	-169.4	0	0	0	0	0	111.7	L66 E78	L66-A68 PolarHBondContact O-N 3.49Å; A68-E78 PolarHBondContact N-OE1 3.31Å
69	N	85.8	Confident	86.1	Confident	88 Å²	88	53.3 Å²	53.3	47%	0.471	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.9	174.9	73.2	6.2	0	0	0	112.6	D67 D71	D67-N69 VanDerWaalsContact C-N 3.28Å; D67-N69 PolarHBondContact O-N 3.04Å; D67-N69 PolarHBondContact OD1-OD1 3.42Å; N69-D71 VanDerWaalsContact C-N 3.33Å; N69-D71 PolarHBondContact ND2-OD2 3.11Å; N69-D71 WeakPolarHBondContact OD1-CB 3.34Å; N69-D71 PolarHBondContact OD1-N 3.22Å; N69-D71 PolarHBondContact OD1-OD1 2.91Å; N69-D71 PolarHBondContact OD1-OD2 3.03Å
70	S	87.3	Confident	86.9	Confident	101 Å²	101	56 Å²	56	71%	0.706	32%	0.316	S	S	*	.			trans	59.7	37.7	-179.8	-55	0	0	0	0	113.6	D67	D67-S70 VanDerWaalsContact CG-CA 3.48Å; D67-S70 PolarHBondContact O-N 3.4Å; D67-S70 WeakPolarHBondContact OD1-CA 3.41Å; D67-S70 PolarHBondContact OD1-N 2.84Å; D67-S70 WeakPolarHBondContact OD2-CA 3.48Å
71	D	88.5	Confident	87.1	Confident	88 Å²	88	55.8 Å²	55.8	47%	0.471	32%	0.317	S	S	.	.	S	Bend	trans	-88.6	-8.3	176.2	73.1	13.4	0	0	0	113.4	D67 N69 E73	D67-D71 PolarHBondContact OD1-N 3.03Å; N69-D71 VanDerWaalsContact C-N 3.33Å; N69-D71 PolarHBondContact ND2-OD2 3.11Å; N69-D71 WeakPolarHBondContact OD1-CB 3.34Å; N69-D71 PolarHBondContact OD1-N 3.22Å; N69-D71 PolarHBondContact OD1-OD1 2.91Å; N69-D71 PolarHBondContact OD1-OD2 3.03Å; D71-E73 VanDerWaalsContact C-N 3.35Å; D71-E73 WeakPolarHBondContact OD1-CA 3.41Å; D71-E73 PolarHBondContact OD1-N 2.92Å
72	G	89	Confident	87.3	Confident	27 Å²	27	51.4 Å²	51.4	28%	0.278	30%	0.298	S	S	.	.	S	Bend	trans	83.9	9.1	179.2	0	0	0	0	0	114.2	M63 D67	M63-G72 WeakPolarHBondContact CE-O 3.42Å; D67-G72 PolarHBondContact OD1-N 3.01Å; D67-G72 VanDerWaalsContact OD2-CA 3.24Å; D67-G72 WeakPolarHBondContact OD2-CA 3.36Å; D67-G72 PolarHBondContact OD2-N 3.35Å
73	E	92.7	Very high	87.6	Confident	57 Å²	57	51.1 Å²	51.1	27%	0.266	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	171.5	173.9	-55.5	-169.1	159.2	0	0	110.1	T32 L33 D71	T32-E73 WeakPolarHBondContact CB-OE2 3.19Å; T32-E73 HydrophobicContact CG2-CB 4.26Å; T32-E73 PolarHBondContact OG1-OE2 3.07Å; L33-E73 CarbonylContact O-C 3.22Å; L33-E73 WeakPolarHBondContact O-CA 3.44Å; D71-E73 VanDerWaalsContact C-N 3.35Å; D71-E73 WeakPolarHBondContact OD1-CA 3.41Å; D71-E73 PolarHBondContact OD1-N 2.92Å
74	V	93.3	Very high	87.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	113.9	177	175.5	0	0	0	0	109.3	T32 L33 L38 M63 L66 E78 F79	T32-V74 CarbonylContact C-O 3.51Å; T32-V74 VanDerWaalsContact CA-O 3.31Å; T32-V74 WeakPolarHBondContact CA-O 3.45Å; L33-V74 HydrophobicContact CB-CB 4.27Å; L33-V74 PolarHBondContact N-O 3.14Å; L33-V74 PolarHBondContact O-N 3.2Å; L38-V74 HydrophobicContact CD2-CG2 4.11Å; M63-V74 HydrophobicContact CE-CG2 3.73Å; M63-V74 HydrophobicContact SD-CG2 3.66Å; L66-V74 HydrophobicContact CB-CG2 4.23Å; V74-E78 WeakPolarHBondContact CA-OE2 3.39Å; V74-E78 HydrophobicContact CG1-CB 3.71Å; V74-F79 HydrophobicContact CG1-CB 4.32Å
75	D	94.9	Very high	87.6	Confident	54 Å²	54	50.5 Å²	50.5	29%	0.289	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	174.4	176.5	83	19.9	0	0	0	112.5	T32 T77 E78 F79	T32-D75 HydrophobicContact CG2-CB 4.27Å; D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 PolarHBondContact O-N 3.26Å; D75-T77 VanDerWaalsContact OD1-CA 3.27Å; D75-T77 WeakPolarHBondContact OD1-CA 3.36Å; D75-T77 WeakPolarHBondContact OD1-CB 2.82Å; D75-T77 PolarHBondContact OD1-N 3.5Å; D75-E78 PolarHBondContact N-OE2 3.19Å; D75-E78 PolarHBondContact O-N 3.36Å; D75-E78 PolarHBondContact OD1-N 2.95Å; D75-F79 WeakPolarHBondContact O-CB 3.34Å; D75-F79 PolarHBondContact O-N 2.89Å
76	F	94.6	Very high	87.5	Confident	75 Å²	75	48.2 Å²	48.2	33%	0.329	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-30.4	-179.1	-173.4	-105.8	0	0	0	113.5	I17 F20 F79 I80	I17-F76 HydrophobicContact CG1-CE1 4.46Å; I17-F76 HydrophobicContact CG1-CE2 4.2Å; I17-F76 HydrophobicContact CG1-CZ 3.65Å; F20-F76 HydrophobicContact CB-CD2 3.82Å; F20-F76 HydrophobicContact CB-CE2 3.9Å; F20-F76 AromaticContact CD1-CD2 3.86Å; F20-F76 HydrophobicContact CD1-CD2 3.86Å; F20-F76 AromaticContact CD2-CD2 3.83Å; F20-F76 HydrophobicContact CD2-CD2 3.83Å; F20-F76 HydrophobicContact CE1-CB 4.3Å; F20-F76 HydrophobicContact CE1-CD2 4.37Å; F20-F76 HydrophobicContact CE2-CB 4.31Å; F20-F76 HydrophobicContact CE2-CD2 4.33Å; F20-F76 AromaticContact CG-CD2 3.56Å; F20-F76 HydrophobicContact CG-CD2 3.56Å; F20-F76 HydrophobicContact CG-CE2 4.17Å; F20-F76 HydrophobicContact CZ-CB 4.14Å; F76-F79 AromaticContact CD2-CD1 3.99Å; F76-F79 HydrophobicContact CD2-CD1 3.99Å; F76-F79 AromaticContact CE2-CD1 3.89Å; F76-F79 HydrophobicContact CE2-CD1 3.89Å; F76-F79 HydrophobicContact CE2-CE1 4.18Å; F76-I80 HydrophobicContact CD1-CG1 4.24Å; F76-I80 HydrophobicContact CE1-CD1 4.31Å; F76-I80 HydrophobicContact CE1-CG1 3.72Å; F76-I80 HydrophobicContact CE2-CD1 4.3Å; F76-I80 HydrophobicContact CE2-CG1 4.16Å; F76-I80 HydrophobicContact CZ-CD1 3.81Å; F76-I80 HydrophobicContact CZ-CG1 3.67Å; F76-I80 WeakPolarHBondContact O-CG1 3.27Å; F76-I80 PolarHBondContact O-N 3.3Å
77	T	93	Very high	87.6	Confident	91 Å²	91	52.3 Å²	52.3	56%	0.558	32%	0.32	S	S	*	.	H	α-helix	trans	-67.5	-48.4	177.4	-53.2	0	0	0	0	109.9	D75 F79 I80 I81	D75-T77 VanDerWaalsContact C-N 3.26Å; D75-T77 PolarHBondContact O-N 3.26Å; D75-T77 VanDerWaalsContact OD1-CA 3.27Å; D75-T77 WeakPolarHBondContact OD1-CA 3.36Å; D75-T77 WeakPolarHBondContact OD1-CB 2.82Å; D75-T77 PolarHBondContact OD1-N 3.5Å; T77-F79 VanDerWaalsContact C-N 3.34Å; T77-F79 PolarHBondContact O-N 3.41Å; T77-I80 PolarHBondContact O-N 3.07Å; T77-I81 HydrophobicContact CG2-CD1 4.31Å; T77-I81 WeakPolarHBondContact O-CG1 3.43Å; T77-I81 PolarHBondContact O-N 2.93Å
78	E	90.9	Very high	87.4	Confident	13 Å²	13	56.3 Å²	56.3	6%	0.061	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-41.4	177.6	-67.3	169.3	147.1	0	0	111.2	L66 A68 V74 D75 I80 I81 L82	L66-E78 WeakPolarHBondContact O-CG 3.31Å; A68-E78 PolarHBondContact N-OE1 3.31Å; V74-E78 WeakPolarHBondContact CA-OE2 3.39Å; V74-E78 HydrophobicContact CG1-CB 3.71Å; D75-E78 PolarHBondContact N-OE2 3.19Å; D75-E78 PolarHBondContact O-N 3.36Å; D75-E78 PolarHBondContact OD1-N 2.95Å; E78-I80 PolarHBondContact O-N 2.82Å; E78-I81 WeakPolarHBondContact O-CB 3.41Å; E78-I81 PolarHBondContact O-N 3.38Å; E78-L82 PolarHBondContact O-N 3.46Å; E78-L82 VanDerWaalsContact O-N 3.12Å
79	F	91.8	Very high	87	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-45.8	172.1	168.8	-104.8	0	0	0	113.3	L16 F20 L33 L41 V74 D75 F76 T77 I81 L82 M83	L16-F79 HydrophobicContact CB-CE1 4.43Å; F20-F79 HydrophobicContact CB-CD1 4.13Å; F20-F79 HydrophobicContact CB-CE1 4.05Å; F20-F79 HydrophobicContact CD2-CB 3.78Å; F20-F79 AromaticContact CD2-CD1 3.79Å; F20-F79 HydrophobicContact CD2-CD1 3.79Å; F20-F79 HydrophobicContact CD2-CD2 4.24Å; F20-F79 HydrophobicContact CD2-CE1 4.47Å; F20-F79 AromaticContact CD2-CG 3.66Å; F20-F79 HydrophobicContact CD2-CG 3.66Å; F20-F79 HydrophobicContact CE2-CB 3.93Å; F20-F79 HydrophobicContact CE2-CG 4.32Å; F20-F79 HydrophobicContact CG-CD1 4.37Å; L33-F79 HydrophobicContact CD1-CD2 4.38Å; L41-F79 HydrophobicContact CD1-CD2 4.28Å; L41-F79 HydrophobicContact CD1-CE2 3.8Å; L41-F79 HydrophobicContact CD2-CE2 4.27Å; V74-F79 HydrophobicContact CG1-CB 4.32Å; D75-F79 WeakPolarHBondContact O-CB 3.34Å; D75-F79 PolarHBondContact O-N 2.89Å; F76-F79 AromaticContact CD2-CD1 3.99Å; F76-F79 HydrophobicContact CD2-CD1 3.99Å; F76-F79 AromaticContact CE2-CD1 3.89Å; F76-F79 HydrophobicContact CE2-CD1 3.89Å; F76-F79 HydrophobicContact CE2-CE1 4.18Å; T77-F79 VanDerWaalsContact C-N 3.34Å; T77-F79 PolarHBondContact O-N 3.41Å; F79-I81 VanDerWaalsContact C-N 3.3Å; F79-I81 PolarHBondContact O-N 3.3Å; F79-L82 WeakPolarHBondContact O-CB 3.32Å; F79-L82 PolarHBondContact O-N 3.43Å; F79-M83 HydrophobicContact CD1-CG 4.49Å; F79-M83 HydrophobicContact CD2-CG 4.43Å; F79-M83 HydrophobicContact CE1-CG 4Å; F79-M83 HydrophobicContact CE2-CE 3.98Å; F79-M83 HydrophobicContact CE2-CG 3.92Å; F79-M83 HydrophobicContact CE2-SD 4.08Å; F79-M83 HydrophobicContact CZ-CG 3.68Å; F79-M83 HydrophobicContact CZ-SD 4.01Å; F79-M83 WeakPolarHBondContact O-CG 3.29Å; F79-M83 PolarHBondContact O-N 3.16Å; F79-M83 VanDerWaalsContact O-N 3.1Å
80	I	91.5	Very high	86.2	Confident	62 Å²	62	53.1 Å²	53.1	32%	0.318	33%	0.327	S	S	.	.	H	α-helix	trans	-68.7	-31.3	179.6	-72.1	-67.3	0	0	0	111.7	L16 F76 T77 E78 L82 M83 G84	L16-I80 HydrophobicContact CB-CD1 4.05Å; L16-I80 HydrophobicContact CD1-CD1 3.83Å; L16-I80 HydrophobicContact CG-CD1 4.42Å; F76-I80 HydrophobicContact CD1-CG1 4.24Å; F76-I80 HydrophobicContact CE1-CD1 4.31Å; F76-I80 HydrophobicContact CE1-CG1 3.72Å; F76-I80 HydrophobicContact CE2-CD1 4.3Å; F76-I80 HydrophobicContact CE2-CG1 4.16Å; F76-I80 HydrophobicContact CZ-CD1 3.81Å; F76-I80 HydrophobicContact CZ-CG1 3.67Å; F76-I80 WeakPolarHBondContact O-CG1 3.27Å; F76-I80 PolarHBondContact O-N 3.3Å; T77-I80 PolarHBondContact O-N 3.07Å; E78-I80 PolarHBondContact O-N 2.82Å; I80-L82 VanDerWaalsContact C-N 3.34Å; I80-M83 PolarHBondContact O-N 3.49Å; I80-G84 PolarHBondContact O-N 2.7Å
81	I	86.1	Confident	85.6	Confident	70 Å²	70	51.1 Å²	51.1	36%	0.359	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-44	172.6	-68.8	166.7	0	0	0	110.2	T77 E78 F79 M83 G84 A85 P106	T77-I81 HydrophobicContact CG2-CD1 4.31Å; T77-I81 WeakPolarHBondContact O-CG1 3.43Å; T77-I81 PolarHBondContact O-N 2.93Å; E78-I81 WeakPolarHBondContact O-CB 3.41Å; E78-I81 PolarHBondContact O-N 3.38Å; F79-I81 VanDerWaalsContact C-N 3.3Å; F79-I81 PolarHBondContact O-N 3.3Å; I81-M83 PolarHBondContact O-N 3.42Å; I81-G84 PolarHBondContact O-N 2.93Å; I81-A85 PolarHBondContact O-N 3.24Å; I81-P106 HydrophobicContact CG2-CG 4.3Å
82	L	83	Confident	84.3	Confident	20 Å²	20	53.1 Å²	53.1	11%	0.105	32%	0.319	C	S	.	.	H	α-helix	trans	-56.3	-50.5	172.3	-178.7	63.4	0	0	0	111.6	L42 V62 L66 E78 F79 I80 G84 A85 L86	L42-L82 HydrophobicContact CD2-CD2 3.9Å; V62-L82 HydrophobicContact CG1-CD1 4.28Å; V62-L82 HydrophobicContact CG1-CD2 4.46Å; L66-L82 HydrophobicContact CD1-CB 3.86Å; L66-L82 HydrophobicContact CD1-CD1 4.04Å; L66-L82 HydrophobicContact CD1-CD2 3.76Å; L66-L82 HydrophobicContact CD1-CG 4.05Å; L66-L82 HydrophobicContact CD2-CB 3.56Å; L66-L82 HydrophobicContact CD2-CD1 4.11Å; L66-L82 HydrophobicContact CD2-CG 4.33Å; L66-L82 HydrophobicContact CG-CB 4.35Å; L66-L82 HydrophobicContact CG-CD1 4.48Å; E78-L82 PolarHBondContact O-N 3.46Å; E78-L82 VanDerWaalsContact O-N 3.12Å; F79-L82 WeakPolarHBondContact O-CB 3.32Å; F79-L82 PolarHBondContact O-N 3.43Å; I80-L82 VanDerWaalsContact C-N 3.34Å; L82-G84 VanDerWaalsContact C-N 3.27Å; L82-G84 PolarHBondContact O-N 2.85Å; L82-A85 PolarHBondContact O-N 3.33Å; L82-A85 VanDerWaalsContact O-N 3.14Å; L82-L86 HydrophobicContact CD1-CD1 4.15Å; L82-L86 HydrophobicContact CD1-CG 4.19Å; L82-L86 HydrophobicContact CD2-CD1 4.38Å; L82-L86 HydrophobicContact CG-CD1 3.95Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 2.97Å
83	M	87.4	Confident	82.7	Confident	26 Å²	26	59.7 Å²	59.7	13%	0.128	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-38.3	-177.1	-66.4	-63.2	102.5	0	0	111.4	L16 L46 F79 I80 I81 L86 T87	L16-M83 HydrophobicContact CD2-CB 4.25Å; L16-M83 HydrophobicContact CD2-CG 3.84Å; L16-M83 HydrophobicContact CD2-SD 4.11Å; L46-M83 HydrophobicContact CD1-CE 3.93Å; F79-M83 HydrophobicContact CD1-CG 4.49Å; F79-M83 HydrophobicContact CD2-CG 4.43Å; F79-M83 HydrophobicContact CE1-CG 4Å; F79-M83 HydrophobicContact CE2-CE 3.98Å; F79-M83 HydrophobicContact CE2-CG 3.92Å; F79-M83 HydrophobicContact CE2-SD 4.08Å; F79-M83 HydrophobicContact CZ-CG 3.68Å; F79-M83 HydrophobicContact CZ-SD 4.01Å; F79-M83 WeakPolarHBondContact O-CG 3.29Å; F79-M83 PolarHBondContact O-N 3.16Å; F79-M83 VanDerWaalsContact O-N 3.1Å; I80-M83 PolarHBondContact O-N 3.49Å; I81-M83 PolarHBondContact O-N 3.42Å; M83-L86 HydrophobicContact CE-CD1 3.76Å; M83-T87 VanDerWaalsContact O-CB 3.27Å; M83-T87 WeakPolarHBondContact O-CB 3.02Å; M83-T87 PolarHBondContact O-N 2.9Å; M83-T87 PolarHBondContact O-OG1 3Å
84	G	85.9	Confident	80.8	Confident	35 Å²	35	61.8 Å²	61.8	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-49.3	171.7	0	0	0	0	0	112.2	I80 I81 L82 L86 T87 V88	I80-G84 PolarHBondContact O-N 2.7Å; I81-G84 PolarHBondContact O-N 2.93Å; L82-G84 VanDerWaalsContact C-N 3.27Å; L82-G84 PolarHBondContact O-N 2.85Å; G84-L86 PolarHBondContact O-N 3.24Å; G84-T87 PolarHBondContact O-N 2.83Å; G84-V88 WeakPolarHBondContact O-CG2 3.3Å; G84-V88 PolarHBondContact O-N 3.01Å
85	A	78.7	Confident	78.9	Confident	49 Å²	49	67.6 Å²	67.6	41%	0.405	38%	0.377	S	S	.	.	H	α-helix	trans	-61	-46	179.1	0	0	0	0	0	112.1	I81 L82 T87 V88 A89	I81-A85 PolarHBondContact O-N 3.24Å; L82-A85 PolarHBondContact O-N 3.33Å; L82-A85 VanDerWaalsContact O-N 3.14Å; A85-T87 PolarHBondContact O-N 3.14Å; A85-V88 PolarHBondContact O-N 3.15Å; A85-A89 WeakPolarHBondContact O-CB 3.42Å; A85-A89 PolarHBondContact O-N 2.93Å
86	L	77.7	Confident	76.7	Confident	43 Å²	43	74 Å²	74	23%	0.225	41%	0.406	C	S	.	.	H	α-helix	trans	-62.9	-42.2	175.7	-71.3	173.7	0	0	0	111.7	L46 L82 M83 G84 V88 A89 C90	L46-L86 HydrophobicContact CD1-CD1 3.68Å; L82-L86 HydrophobicContact CD1-CD1 4.15Å; L82-L86 HydrophobicContact CD1-CG 4.19Å; L82-L86 HydrophobicContact CD2-CD1 4.38Å; L82-L86 HydrophobicContact CG-CD1 3.95Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 2.97Å; M83-L86 HydrophobicContact CE-CD1 3.76Å; G84-L86 PolarHBondContact O-N 3.24Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.19Å; L86-A89 CarbonylContact O-C 3.56Å; L86-A89 PolarHBondContact O-N 3.49Å; L86-C90 WeakPolarHBondContact O-CB 3.46Å; L86-C90 PolarHBondContact O-N 3.44Å; L86-C90 PolarHBondContact O-SG 3.23Å
87	T	83.3	Confident	74.6	Confident	96 Å²	96	77.2 Å²	77.2	59%	0.589	42%	0.416	S	S	*	.	H	α-helix	trans	-61.9	-40.7	177.7	-60.9	0	0	0	0	111.2	M83 G84 A85 C90 N91	M83-T87 VanDerWaalsContact O-CB 3.27Å; M83-T87 WeakPolarHBondContact O-CB 3.02Å; M83-T87 PolarHBondContact O-N 2.9Å; M83-T87 PolarHBondContact O-OG1 3Å; G84-T87 PolarHBondContact O-N 2.83Å; A85-T87 PolarHBondContact O-N 3.14Å; T87-C90 PolarHBondContact O-N 3.2Å; T87-N91 WeakPolarHBondContact O-CB 3.36Å; T87-N91 PolarHBondContact O-N 2.92Å
88	V	80.1	Confident	72.5	Confident	98 Å²	98	82.1 Å²	82.1	59%	0.594	43%	0.43	S	S	*	.	H	α-helix	trans	-64.9	-45.2	174.1	172	0	0	0	0	110.8	G84 A85 L86 C90 N91	G84-V88 WeakPolarHBondContact O-CG2 3.3Å; G84-V88 PolarHBondContact O-N 3.01Å; A85-V88 PolarHBondContact O-N 3.15Å; L86-V88 VanDerWaalsContact C-N 3.31Å; L86-V88 PolarHBondContact O-N 3.19Å; V88-C90 VanDerWaalsContact C-N 3.28Å; V88-C90 PolarHBondContact O-N 3.38Å; V88-N91 PolarHBondContact O-N 2.54Å; V88-N91 VanDerWaalsContact O-N 3.15Å
89	A	70.9	Confident	70.5	Confident	55 Å²	55	83.9 Å²	83.9	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-67.4	-24.8	178.8	0	0	0	0	0	113.7	A85 L86 M95	A85-A89 WeakPolarHBondContact O-CB 3.42Å; A85-A89 PolarHBondContact O-N 2.93Å; L86-A89 CarbonylContact O-C 3.56Å; L86-A89 PolarHBondContact O-N 3.49Å; A89-M95 WeakPolarHBondContact O-CE 3.24Å
90	C	69.2	Low	68.4	Low	53 Å²	53	93.1 Å²	93.1	36%	0.358	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.6	175.5	-59.4	0	0	0	0	112.5	Y49 L86 T87 V88 D92	Y49-C90 HydrophobicContact CE1-CB 4.2Å; Y49-C90 WeakPolarHBondContact CE1-SG 3.41Å; L86-C90 WeakPolarHBondContact O-CB 3.46Å; L86-C90 PolarHBondContact O-N 3.44Å; L86-C90 PolarHBondContact O-SG 3.23Å; T87-C90 PolarHBondContact O-N 3.2Å; V88-C90 VanDerWaalsContact C-N 3.28Å; V88-C90 PolarHBondContact O-N 3.38Å; C90-D92 PolarHBondContact O-N 3.13Å
91	N	75.7	Confident	66.2	Low	60 Å²	60	99 Å²	99	32%	0.321	51%	0.509	S	S	.	.			trans	-90.3	85.9	-179.4	-164.8	-9.5	0	0	0	110.2	T87 V88 F93 F94	T87-N91 WeakPolarHBondContact O-CB 3.36Å; T87-N91 PolarHBondContact O-N 2.92Å; V88-N91 PolarHBondContact O-N 2.54Å; V88-N91 VanDerWaalsContact O-N 3.15Å; N91-F93 PolarHBondContact O-N 2.9Å; N91-F93 VanDerWaalsContact OD1-CB 3.25Å; N91-F93 WeakPolarHBondContact OD1-CB 3.37Å; N91-F93 PolarHBondContact OD1-N 3.25Å; N91-F94 HydrophobicContact CB-CD2 4.1Å; N91-F94 WeakPolarHBondContact ND2-CD2 3.43Å; N91-F94 WeakPolarHBondContact ND2-CE2 3.47Å; N91-F94 PolarHBondContact O-N 3.44Å
92	D	60.7	Low	64.3	Low	130 Å²	130	102 Å²	102	70%	0.695	53%	0.525	S	S	*	.	H	α-helix	trans	-51.1	-28.2	178.6	-66.7	-24.4	0	0	0	113.1	C90 F94 M95	C90-D92 PolarHBondContact O-N 3.13Å; D92-F94 PolarHBondContact O-N 3.41Å; D92-M95 WeakPolarHBondContact O-CB 3.36Å; D92-M95 PolarHBondContact O-N 2.82Å; D92-M95 VanDerWaalsContact O-N 3.14Å
93	F	55.3	Low	62.6	Low	165 Å²	165	107.5 Å²	107.5	72%	0.724	56%	0.559	S	S	*	*	H	α-helix	trans	-60	-29.7	176.2	-175.3	-96	0	0	0	113.3	N91	N91-F93 PolarHBondContact O-N 2.9Å; N91-F93 VanDerWaalsContact OD1-CB 3.25Å; N91-F93 WeakPolarHBondContact OD1-CB 3.37Å; N91-F93 PolarHBondContact OD1-N 3.25Å
94	F	54	Low	60.5	Low	100 Å²	100	114.8 Å²	114.8	44%	0.439	59%	0.593	S	S	.	*	H	α-helix	trans	-98.6	-3.2	177.7	-67.1	-70	0	0	0	113.7	N91 D92 E96 Y97	N91-F94 HydrophobicContact CB-CD2 4.1Å; N91-F94 WeakPolarHBondContact ND2-CD2 3.43Å; N91-F94 WeakPolarHBondContact ND2-CE2 3.47Å; N91-F94 PolarHBondContact O-N 3.44Å; D92-F94 PolarHBondContact O-N 3.41Å; F94-E96 PolarHBondContact O-N 3.21Å; F94-Y97 HydrophobicContact CD1-CD1 4.24Å; F94-Y97 HydrophobicContact CD1-CG 4.2Å; F94-Y97 WeakPolarHBondContact O-CB 3.21Å; F94-Y97 PolarHBondContact O-N 2.77Å
95	M	53	Low	58.3	Low	123 Å²	123	117.2 Å²	117.2	61%	0.606	60%	0.601	S	S	*	*	H	α-helix	trans	-63.5	-30.4	176.9	-75.7	-81.3	173.5	0	0	112.6	A89 D92	A89-M95 WeakPolarHBondContact O-CE 3.24Å; D92-M95 WeakPolarHBondContact O-CB 3.36Å; D92-M95 PolarHBondContact O-N 2.82Å; D92-M95 VanDerWaalsContact O-N 3.14Å
96	E	48.7	Very low	56.5	Low	189 Å²	189	119.2 Å²	119.2	88%	0.883	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-8	172.5	-92.8	-174.8	157.3	0	0	113.7	F94 K98	F94-E96 PolarHBondContact O-N 3.21Å; E96-K98 PolarHBondContact O-N 3.34Å; E96-K98 VanDerWaalsContact O-N 3.13Å
97	Y	48.9	Very low	54.5	Low	141 Å²	141	121.6 Å²	121.6	55%	0.553	62%	0.618	S	S	*	*			trans	-80.5	98.3	178.7	-164.6	-109.6	0	0	0	109.3	F94 P99 L102	F94-Y97 HydrophobicContact CD1-CD1 4.24Å; F94-Y97 HydrophobicContact CD1-CG 4.2Å; F94-Y97 WeakPolarHBondContact O-CB 3.21Å; F94-Y97 PolarHBondContact O-N 2.77Å; Y97-P99 VanDerWaalsContact C-CD 3.45Å; Y97-P99 HydrophobicContact CD1-CB 4.1Å; Y97-P99 HydrophobicContact CD1-CG 3.68Å; Y97-P99 HydrophobicContact CE1-CB 3.55Å; Y97-P99 HydrophobicContact CE1-CG 3.56Å; Y97-P99 WeakPolarHBondContact O-CD 3.18Å; Y97-L102 HydrophobicContact CE1-CD1 4.39Å
98	K	50.5	Low	52.4	Low	194 Å²	194	125.8 Å²	125.8	84%	0.843	63%	0.628	S	S	*	*			trans	-93.9	86.9	164.6	-73.1	-175.1	178.4	177.8	0	109.7	E96 E100	E96-K98 PolarHBondContact O-N 3.34Å; E96-K98 VanDerWaalsContact O-N 3.13Å; K98-E100 PolarHBondContact O-N 3.22Å
99	P	48	Very low	50.2	Low	51 Å²	51	127 Å²	127	33%	0.331	64%	0.636	S	S	.	*			trans	-76.9	111.6	167.5	31.1	-27.7	0	0	0	106.9	Y97 K101 L102	Y97-P99 VanDerWaalsContact C-CD 3.45Å; Y97-P99 HydrophobicContact CD1-CB 4.1Å; Y97-P99 HydrophobicContact CD1-CG 3.68Å; Y97-P99 HydrophobicContact CE1-CB 3.55Å; Y97-P99 HydrophobicContact CE1-CG 3.56Å; Y97-P99 WeakPolarHBondContact O-CD 3.18Å; P99-K101 PolarHBondContact O-N 3.16Å; P99-L102 HydrophobicContact CB-CB 4.46Å; P99-L102 HydrophobicContact CB-CD1 4.07Å; P99-L102 HydrophobicContact CB-CG 3.9Å; P99-L102 HydrophobicContact CG-CB 4.13Å; P99-L102 HydrophobicContact CG-CD1 3.78Å; P99-L102 HydrophobicContact CG-CG 3.92Å
100	E	48.7	Very low	48.8	Very low	195 Å²	195	132.2 Å²	132.2	91%	0.911	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	1.8	172.3	-76.1	179.3	160.5	0	0	113.6	K98	K98-E100 PolarHBondContact O-N 3.22Å
101	K	44.7	Very low	47.6	Very low	185 Å²	185	138.1 Å²	138.1	80%	0.804	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.1	46.7	-174.4	-62.2	-171	-179.2	178.8	0	115.9	P99	P99-K101 PolarHBondContact O-N 3.16Å
102	L	46	Very low	45.6	Very low	133 Å²	133	139.8 Å²	139.8	70%	0.696	69%	0.693	S	S	*	*			trans	-108	81.2	163.2	-68.9	-178.2	0	0	0	111	Y97 P99 H104	Y97-L102 HydrophobicContact CE1-CD1 4.39Å; P99-L102 HydrophobicContact CB-CB 4.46Å; P99-L102 HydrophobicContact CB-CD1 4.07Å; P99-L102 HydrophobicContact CB-CG 3.9Å; P99-L102 HydrophobicContact CG-CB 4.13Å; P99-L102 HydrophobicContact CG-CD1 3.78Å; P99-L102 HydrophobicContact CG-CG 3.92Å; L102-H104 PolarHBondContact O-N 2.91Å
103	V	47.7	Very low	44.4	Very low	136 Å²	136	139.9 Å²	139.9	82%	0.824	70%	0.698	S	S	*	*			trans	-74.8	92.6	160.9	-179.4	0	0	0	0	107.3
104	H	43.3	Very low	43.5	Very low	180 Å²	180	138.5 Å²	138.5	83%	0.833	70%	0.697	S	S	*	*			trans	-152.6	87.9	146.7	-125.1	-56.1	0	0	0	110.4	L102	L102-H104 PolarHBondContact O-N 2.91Å
105	T	39.8	Very low	43	Very low	86 Å²	86	142.3 Å²	142.3	53%	0.528	72%	0.716	S	S	.	*			trans	-60.4	148.1	161.1	43.3	0	0	0	0	110.9	F107	T105-F107 WeakPolarHBondContact CG2-O 3.25Å
106	P	39.7	Very low	42.6	Very low	91 Å²	91	143.8 Å²	143.8	59%	0.591	72%	0.722	S	S	*	*	S	Bend		-124.2	74.7	106.5	36.9	-29.4	0	0	0	110.1	I81	I81-P106 HydrophobicContact CG2-CG 4.3Å
107	F	36.4	Very low	41.9	Very low	92 Å²	92	141.7 Å²	141.7	40%	0.404	72%	0.715	S	S	.	*			trans	-136.9	90.2	151	-92	-80.8	0	0	0	105.2	D65 T105 T109	D65-F107 HydrophobicContact CB-CE1 3.44Å; D65-F107 VanDerWaalsContact CB-CE1 3.44Å; D65-F107 HydrophobicContact CB-CZ 3.78Å; D65-F107 WeakPolarHBondContact O-CE1 3.4Å; D65-F107 WeakPolarHBondContact O-CZ 3.24Å; T105-F107 WeakPolarHBondContact CG2-O 3.25Å; F107-T109 VanDerWaalsContact C-N 3.33Å; F107-T109 PolarHBondContact O-N 3.04Å
108	K	38.4	Very low	41.5	Very low	184 Å²	184	143.2 Å²	143.2	80%	0.8	73%	0.725	S	S	*	*			trans	-83.2	87.4	166.5	-89.7	-176	177.7	173.9	0	107.1
109	T	34.2	Very low	40.9	Very low	124 Å²	124	147 Å²	147	76%	0.761	75%	0.746	S	S	*	*			trans	-94	93.9	150.2	-27	0	0	0	0	105.9	F107	F107-T109 VanDerWaalsContact C-N 3.33Å; F107-T109 PolarHBondContact O-N 3.04Å
110	K	41.6	Very low	40.6	Very low	165 Å²	165	151.9 Å²	151.9	72%	0.717	77%	0.766	S	S	*	*			trans	-74.6	127.9	163.8	-89.4	-170.5	169.3	-166.9	0	108.1
111	E	43.4	Very low	40.1	Very low	177 Å²	177	149.6 Å²	149.6	83%	0.827	76%	0.759	S	S	*	*			trans	76.6	94.5	152.7	-64.7	174.1	-165.3	0	0	118.6
112	A	33.9	Very low	39.9	Very low	95 Å²	95	147.6 Å²	147.6	79%	0.785	76%	0.756	S	S	*	*				-153.6	102.1	128.9	0	0	0	0	0	109	I114	A112-I114 PolarHBondContact O-N 3.24Å
113	T	36.6	Very low	39.5	Very low	131 Å²	131	148.5 Å²	148.5	80%	0.804	76%	0.76	S	S	*	*			trans	-71.3	113.6	166.4	37.3	0	0	0	0	108.8	E115	T113-E115 PolarHBondContact O-N 3.28Å
114	I	36.6	Very low	39	Very low	136 Å²	136	149.3 Å²	149.3	70%	0.697	76%	0.756	S	S	*	*			trans	-81.9	75.1	170.1	-58	177.3	0	0	0	108	A112 E116 I117	A112-I114 PolarHBondContact O-N 3.24Å; I114-E116 VanDerWaalsContact C-N 3.34Å; I114-I117 HydrophobicContact CG2-CB 4.44Å; I114-I117 HydrophobicContact CG2-CD1 4.34Å; I114-I117 HydrophobicContact CG2-CG1 4.18Å
115	E	42.9	Very low	38.7	Very low	181 Å²	181	147.2 Å²	147.2	85%	0.846	75%	0.75	S	S	*	*			trans	-94.8	7	152.6	-90	-173.1	158.1	0	0	111	T113	T113-E115 PolarHBondContact O-N 3.28Å
116	E	45.8	Very low	38.7	Very low	153 Å²	153	151.6 Å²	151.6	72%	0.715	77%	0.766	S	S	*	*			trans	-131.8	41	-169.6	-65.9	-165	134.5	0	0	115.7	I114	I114-E116 VanDerWaalsContact C-N 3.34Å
117	I	33.2	Very low	38.6	Very low	146 Å²	146	156.2 Å²	156.2	75%	0.749	78%	0.78	S	S	*	*			trans	-118.1	93.8	153.9	-56.8	177.9	0	0	0	106.9	I114	I114-I117 HydrophobicContact CG2-CB 4.44Å; I114-I117 HydrophobicContact CG2-CD1 4.34Å; I114-I117 HydrophobicContact CG2-CG1 4.18Å
118	K	39.8	Very low	38.8	Very low	173 Å²	173	161.6 Å²	161.6	75%	0.752	81%	0.811	S	S	*	*			trans	-78.8	144.5	-175.4	-71.9	167.4	174.5	164.4	0	111.4
119	E	38.9	Very low	38.8	Very low	274 Å²	274	159.5 Å²	159.5	100%	1.28	81%	0.812	S	S	*	*			trans	71.7	0	176.2	-72.4	-172	165.7	0	0	118.3

Retrieved 119 of 119 residues in 520.4 ms (Link to these results)

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