A0A087WZ41_HUMAN Loading...

Mitochondrial translation release factor 1

AlphaFold DB , UniProt , Accession A0A087WZ41, Species HUMAN (Homo sapiens, Human), Gene MTRF1, Length 137 aa.

						>A0A087WZ41_HUMAN|A0A087WZ41|MTRF1
RRHAELAPLAAIYQEIQETEQAIEELESMCKSLNKQDEKQLQELALEERQTIDQKINMLYNELFQSLVPKEKYDKNDVILEVTAGRTTGGDICQQFTREIFDMYQNYSCYKHWQFELLNYTPADYGRHIEEFACRRY
					

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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	R	54.8	Low	73.1	Confident	256 Å²	256	109.6 Å²	109.6	97%	0.966	57%	0.572	S	S	*	*				0	-71.4	0	-85.9	-176.6	169.9	171.5	-3.5	110.7	H3 A4 E5	R1-H3 PolarHBondContact O-N 3.35Å; R1-A4 WeakPolarHBondContact O-CB 3.32Å; R1-A4 PolarHBondContact O-N 2.88Å; R1-E5 PolarHBondContact O-N 3.34Å
2	R	56.3	Low	74.5	Confident	209 Å²	209	101.8 Å²	101.8	79%	0.789	53%	0.531	S	S	*	.	H	α-helix	trans	-52.2	-42.6	175.8	-73.4	-177.2	175.8	173.1	-2.7	115.3	A4 E5 L6	R2-A4 VanDerWaalsContact C-N 3.3Å; R2-A4 PolarHBondContact O-N 2.72Å; R2-E5 PolarHBondContact O-N 3.09Å; R2-L6 WeakPolarHBondContact O-CG 3.26Å; R2-L6 PolarHBondContact O-N 3.47Å
3	H	58.4	Low	75.9	Confident	170 Å²	170	103 Å²	103	79%	0.787	53%	0.525	S	S	*	.	H	α-helix	trans	-62.6	-32.7	175.7	-81.3	-76.7	0	0	0	114.2	R1 A7	R1-H3 PolarHBondContact O-N 3.35Å; H3-A7 WeakPolarHBondContact O-CB 3.05Å; H3-A7 PolarHBondContact O-N 2.99Å; H3-A7 VanDerWaalsContact O-N 3.11Å
4	A	64.2	Low	77.2	Confident	74 Å²	74	103.4 Å²	103.4	61%	0.612	52%	0.524	S	S	*	.	H	α-helix	trans	-76.4	-27.8	179.4	0	0	0	0	0	111.9	R1 R2 P8	R1-A4 WeakPolarHBondContact O-CB 3.32Å; R1-A4 PolarHBondContact O-N 2.88Å; R2-A4 VanDerWaalsContact C-N 3.3Å; R2-A4 PolarHBondContact O-N 2.72Å; A4-P8 WeakPolarHBondContact O-CD 3.42Å
5	E	66.9	Low	78.3	Confident	124 Å²	124	101.3 Å²	101.3	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-77.2	-34.4	175.5	-70.8	160.3	-171.3	0	0	111.7	R1 R2 P8 L9	R1-E5 PolarHBondContact O-N 3.34Å; R2-E5 PolarHBondContact O-N 3.09Å; E5-P8 WeakPolarHBondContact O-CD 3.29Å; E5-P8 WeakPolarHBondContact O-CG 3.1Å; E5-L9 VanDerWaalsContact O-CD1 3.27Å; E5-L9 WeakPolarHBondContact O-CD1 3.37Å
6	L	75.3	Confident	79.3	Confident	107 Å²	107	95 Å²	95	56%	0.56	48%	0.48	S	S	*	.	H	α-helix	trans	-85.7	-23	-178.5	-66	172.5	0	0	0	114.1	R2 L9 A10	R2-L6 WeakPolarHBondContact O-CG 3.26Å; R2-L6 PolarHBondContact O-N 3.47Å; L6-L9 PolarHBondContact O-N 2.92Å; L6-A10 WeakPolarHBondContact O-CB 3.48Å; L6-A10 PolarHBondContact O-N 3.43Å
7	A	80.8	Confident	80.3	Confident	58 Å²	58	94.9 Å²	94.9	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-53.6	-47.3	178.1	0	0	0	0	0	114.3	H3 A10 A11	H3-A7 WeakPolarHBondContact O-CB 3.05Å; H3-A7 PolarHBondContact O-N 2.99Å; H3-A7 VanDerWaalsContact O-N 3.11Å; A7-A10 PolarHBondContact O-N 3.48Å; A7-A11 PolarHBondContact O-N 3.38Å
8	P	82.9	Confident	81.1	Confident	64 Å²	64	95.8 Å²	95.8	42%	0.416	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-37.4	176.9	23.8	-33.1	0	0	0	112.8	A4 E5 A11 I12	A4-P8 WeakPolarHBondContact O-CD 3.42Å; E5-P8 WeakPolarHBondContact O-CD 3.29Å; E5-P8 WeakPolarHBondContact O-CG 3.1Å; P8-A11 PolarHBondContact O-N 2.88Å; P8-I12 WeakPolarHBondContact O-CG1 3.19Å; P8-I12 PolarHBondContact O-N 2.77Å
9	L	85.8	Confident	81.7	Confident	29 Å²	29	91.4 Å²	91.4	15%	0.152	46%	0.458	C	S	.	.	H	α-helix	trans	-65.2	-40.5	175.3	-77.1	112.8	0	0	0	112.3	E5 L6 A11 I12 Y13 L63 L67	E5-L9 VanDerWaalsContact O-CD1 3.27Å; E5-L9 WeakPolarHBondContact O-CD1 3.37Å; L6-L9 PolarHBondContact O-N 2.92Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.45Å; L9-I12 PolarHBondContact O-N 2.67Å; L9-Y13 WeakPolarHBondContact O-CB 3.44Å; L9-Y13 PolarHBondContact O-N 3.28Å; L9-L63 HydrophobicContact CB-CD1 4.34Å; L9-L63 HydrophobicContact CD2-CD1 3.93Å; L9-L63 HydrophobicContact CG-CD1 4.39Å; L9-L67 HydrophobicContact CD2-CD2 3.3Å; L9-L67 HydrophobicContact CD2-CG 3.58Å
10	A	88.5	Confident	82.2	Confident	58 Å²	58	90.5 Å²	90.5	48%	0.479	45%	0.452	S	S	.	.	H	α-helix	trans	-63.5	-38.8	176.5	0	0	0	0	0	111.5	L6 A7 Y13 Q14	L6-A10 WeakPolarHBondContact O-CB 3.48Å; L6-A10 PolarHBondContact O-N 3.43Å; A7-A10 PolarHBondContact O-N 3.48Å; A10-Y13 PolarHBondContact O-N 2.96Å; A10-Q14 WeakPolarHBondContact O-CB 3.45Å; A10-Q14 PolarHBondContact O-N 3.11Å
11	A	90.1	Very high	82.8	Confident	57 Å²	57	91.4 Å²	91.4	47%	0.471	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-46.6	175.9	0	0	0	0	0	112.1	A7 P8 L9 Y13 Q14 E15	A7-A11 PolarHBondContact O-N 3.38Å; P8-A11 PolarHBondContact O-N 2.88Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.45Å; A11-Y13 VanDerWaalsContact C-N 3.33Å; A11-Y13 PolarHBondContact O-N 3.45Å; A11-Q14 PolarHBondContact O-N 3.25Å; A11-E15 PolarHBondContact O-N 3.17Å
12	I	90.8	Very high	84.5	Confident	15 Å²	15	81 Å²	81	8%	0.077	42%	0.424	C	S	.	.	H	α-helix	trans	-61.3	-44.2	176.8	-63.9	161.8	0	0	0	110.4	P8 L9 Q14 E15 I16 E62 L63	P8-I12 WeakPolarHBondContact O-CG1 3.19Å; P8-I12 PolarHBondContact O-N 2.77Å; L9-I12 PolarHBondContact O-N 2.67Å; I12-Q14 PolarHBondContact O-N 3.08Å; I12-E15 PolarHBondContact O-N 3.37Å; I12-I16 HydrophobicContact CG2-CD1 4.28Å; I12-I16 WeakPolarHBondContact O-CG1 3.41Å; I12-I16 PolarHBondContact O-N 2.88Å; I12-E62 HydrophobicContact CD1-CG 3.98Å; I12-L63 HydrophobicContact CB-CD1 4.21Å; I12-L63 HydrophobicContact CG2-CB 3.85Å; I12-L63 HydrophobicContact CG2-CD1 4.07Å
13	Y	91.9	Very high	86.1	Confident	118 Å²	118	72 Å²	72	46%	0.463	39%	0.391	S	S	.	.	H	α-helix	trans	-64.2	-40.4	178.2	-174.6	-105	0	0	0	112.3	L9 A10 A11 E15 I16 Q17	L9-Y13 WeakPolarHBondContact O-CB 3.44Å; L9-Y13 PolarHBondContact O-N 3.28Å; A10-Y13 PolarHBondContact O-N 2.96Å; A11-Y13 VanDerWaalsContact C-N 3.33Å; A11-Y13 PolarHBondContact O-N 3.45Å; Y13-E15 VanDerWaalsContact C-N 3.32Å; Y13-E15 PolarHBondContact O-N 3.36Å; Y13-I16 WeakPolarHBondContact O-CB 3.44Å; Y13-I16 PolarHBondContact O-N 3.47Å; Y13-Q17 HydrophobicContact CD1-CG 4.28Å; Y13-Q17 VanDerWaalsContact CE1-CD 3.44Å; Y13-Q17 HydrophobicContact CE1-CG 3.89Å; Y13-Q17 WeakPolarHBondContact O-CG 3.29Å; Y13-Q17 PolarHBondContact O-N 3.43Å
14	Q	94.2	Very high	87.6	Confident	108 Å²	108	70.4 Å²	70.4	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-62.3	-41.2	175.6	-170	-178.3	-29.4	0	0	111.3	A10 A11 I12 I16 Q17 E18	A10-Q14 WeakPolarHBondContact O-CB 3.45Å; A10-Q14 PolarHBondContact O-N 3.11Å; A11-Q14 PolarHBondContact O-N 3.25Å; I12-Q14 PolarHBondContact O-N 3.08Å; Q14-I16 VanDerWaalsContact C-N 3.32Å; Q14-I16 PolarHBondContact O-N 3.01Å; Q14-Q17 PolarHBondContact O-N 3.27Å; Q14-E18 PolarHBondContact NE2-OE1 3.44Å; Q14-E18 WeakPolarHBondContact O-CG 3.39Å; Q14-E18 PolarHBondContact O-N 3.43Å
15	E	94.4	Very high	88.8	Confident	73 Å²	73	72.4 Å²	72.4	34%	0.341	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-36	175.7	-168.7	176.5	173	0	0	112.4	A11 I12 Y13 E18 T19 K55 L59	A11-E15 PolarHBondContact O-N 3.17Å; I12-E15 PolarHBondContact O-N 3.37Å; Y13-E15 VanDerWaalsContact C-N 3.32Å; Y13-E15 PolarHBondContact O-N 3.36Å; E15-E18 PolarHBondContact O-N 3.01Å; E15-T19 VanDerWaalsContact O-CB 3.28Å; E15-T19 WeakPolarHBondContact O-CB 3.42Å; E15-T19 PolarHBondContact O-N 3.49Å; E15-T19 PolarHBondContact O-OG1 3.28Å; E15-K55 WeakPolarHBondContact OE1-CE 3.44Å; E15-K55 IonicContact OE1-NZ 2.77Å; E15-K55 PolarHBondContact OE1-NZ 3.29Å; E15-L59 HydrophobicContact CB-CD1 4.38Å; E15-L59 HydrophobicContact CG-CD1 3.88Å; E15-L59 HydrophobicContact CG-CD2 4.23Å
16	I	93.8	Very high	89.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-48.6	172.1	-68.7	167.4	0	0	0	110	I12 Y13 Q14 E18 T19 E20 L59 Y60 L63	I12-I16 HydrophobicContact CG2-CD1 4.28Å; I12-I16 WeakPolarHBondContact O-CG1 3.41Å; I12-I16 PolarHBondContact O-N 2.88Å; Y13-I16 WeakPolarHBondContact O-CB 3.44Å; Y13-I16 PolarHBondContact O-N 3.47Å; Q14-I16 VanDerWaalsContact C-N 3.32Å; Q14-I16 PolarHBondContact O-N 3.01Å; I16-E18 PolarHBondContact O-N 3.21Å; I16-T19 PolarHBondContact O-N 3.28Å; I16-T19 VanDerWaalsContact O-N 3.15Å; I16-E20 HydrophobicContact CG2-CG 4.29Å; I16-E20 WeakPolarHBondContact O-CG 3.33Å; I16-E20 PolarHBondContact O-N 3.45Å; I16-L59 HydrophobicContact CD1-CB 4.06Å; I16-L59 HydrophobicContact CG1-CB 3.54Å; I16-L59 HydrophobicContact CG1-CD1 4.08Å; I16-L59 HydrophobicContact CG1-CG 4.41Å; I16-Y60 HydrophobicContact CD1-CD1 3.99Å; I16-Y60 HydrophobicContact CD1-CE1 4.08Å; I16-Y60 HydrophobicContact CD1-CG 4.26Å; I16-Y60 HydrophobicContact CG2-CE1 4.39Å; I16-Y60 HydrophobicContact CG2-CE2 4.02Å; I16-L63 HydrophobicContact CD1-CD2 4.13Å
17	Q	95.5	Very high	90.3	Very high	93 Å²	93	65 Å²	65	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-43.7	179.6	-66.9	-170.6	-69.2	0	0	112.3	Y13 Q14 T19 E20 Q21	Y13-Q17 HydrophobicContact CD1-CG 4.28Å; Y13-Q17 VanDerWaalsContact CE1-CD 3.44Å; Y13-Q17 HydrophobicContact CE1-CG 3.89Å; Y13-Q17 WeakPolarHBondContact O-CG 3.29Å; Y13-Q17 PolarHBondContact O-N 3.43Å; Q14-Q17 PolarHBondContact O-N 3.27Å; Q17-T19 VanDerWaalsContact C-N 3.28Å; Q17-T19 PolarHBondContact O-N 3.36Å; Q17-E20 PolarHBondContact O-N 3.23Å; Q17-Q21 WeakPolarHBondContact O-CB 3.33Å; Q17-Q21 PolarHBondContact O-N 2.89Å
18	E	95.3	Very high	90.6	Very high	112 Å²	112	65.8 Å²	65.8	52%	0.523	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-38.1	176	-71.5	172.1	-169.7	0	0	111.5	Q14 E15 I16 Q21 A22	Q14-E18 PolarHBondContact NE2-OE1 3.44Å; Q14-E18 WeakPolarHBondContact O-CG 3.39Å; Q14-E18 PolarHBondContact O-N 3.43Å; E15-E18 PolarHBondContact O-N 3.01Å; I16-E18 PolarHBondContact O-N 3.21Å; E18-Q21 PolarHBondContact O-N 3.12Å; E18-A22 PolarHBondContact O-N 3.43Å; E18-A22 VanDerWaalsContact O-N 3.12Å
19	T	92.3	Very high	90.6	Very high	11 Å²	11	69.1 Å²	69.1	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-73.7	-37.4	179.4	-53.4	0	0	0	0	112	E15 I16 Q17 Q21 A22 I23 I52 K55 I56	E15-T19 VanDerWaalsContact O-CB 3.28Å; E15-T19 WeakPolarHBondContact O-CB 3.42Å; E15-T19 PolarHBondContact O-N 3.49Å; E15-T19 PolarHBondContact O-OG1 3.28Å; I16-T19 PolarHBondContact O-N 3.28Å; I16-T19 VanDerWaalsContact O-N 3.15Å; Q17-T19 VanDerWaalsContact C-N 3.28Å; Q17-T19 PolarHBondContact O-N 3.36Å; T19-Q21 VanDerWaalsContact C-N 3.34Å; T19-A22 WeakPolarHBondContact O-CB 3.42Å; T19-A22 PolarHBondContact O-N 3.49Å; T19-I23 PolarHBondContact O-N 3.43Å; T19-I52 HydrophobicContact CG2-CG2 3.45Å; T19-I52 VanDerWaalsContact CG2-CG2 3.45Å; T19-K55 HydrophobicContact CG2-CD 4.1Å; T19-I56 HydrophobicContact CG2-CD1 4.04Å; T19-I56 HydrophobicContact CG2-CG1 3.47Å; T19-I56 VanDerWaalsContact CG2-CG1 3.47Å
20	E	92.6	Very high	90.4	Very high	74 Å²	74	69.4 Å²	69.4	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-63.8	-40.4	172	-75.1	175.1	172.3	0	0	111.1	I16 Q17 A22 I23 E24 I56 Y60	I16-E20 HydrophobicContact CG2-CG 4.29Å; I16-E20 WeakPolarHBondContact O-CG 3.33Å; I16-E20 PolarHBondContact O-N 3.45Å; Q17-E20 PolarHBondContact O-N 3.23Å; E20-A22 VanDerWaalsContact C-N 3.31Å; E20-A22 PolarHBondContact O-N 3.28Å; E20-I23 WeakPolarHBondContact O-CB 3.47Å; E20-I23 PolarHBondContact O-N 3.15Å; E20-I23 VanDerWaalsContact O-N 3.08Å; E20-E24 PolarHBondContact O-N 3.45Å; E20-I56 HydrophobicContact CG-CD1 3.9Å; E20-Y60 PolarHBondContact OE1-OH 3.03Å
21	Q	94	Very high	90	Very high	110 Å²	110	74.5 Å²	74.5	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-35.6	176.3	-170.5	151.8	8.1	0	0	112.3	Q17 E18 T19 I23 E24 E25	Q17-Q21 WeakPolarHBondContact O-CB 3.33Å; Q17-Q21 PolarHBondContact O-N 2.89Å; E18-Q21 PolarHBondContact O-N 3.12Å; T19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 PolarHBondContact O-N 3.12Å; Q21-E24 PolarHBondContact O-N 2.99Å; Q21-E24 VanDerWaalsContact O-N 3.16Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 2.94Å
22	A	91	Very high	89.4	Confident	37 Å²	37	76.1 Å²	76.1	31%	0.306	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-33.2	172.6	0	0	0	0	0	112.8	E18 T19 E20 L26	E18-A22 PolarHBondContact O-N 3.43Å; E18-A22 VanDerWaalsContact O-N 3.12Å; T19-A22 WeakPolarHBondContact O-CB 3.42Å; T19-A22 PolarHBondContact O-N 3.49Å; E20-A22 VanDerWaalsContact C-N 3.31Å; E20-A22 PolarHBondContact O-N 3.28Å; A22-L26 VanDerWaalsContact O-CB 3.29Å; A22-L26 WeakPolarHBondContact O-CB 3.32Å; A22-L26 PolarHBondContact O-N 3.47Å
23	I	90.4	Very high	88.5	Confident	20 Å²	20	78.1 Å²	78.1	10%	0.103	39%	0.391	C	S	.	.	H	α-helix	trans	-66.2	-45.3	173	-63.1	-176	0	0	0	110.5	T19 E20 Q21 E25 L26 E27 I52 D53 I56	T19-I23 PolarHBondContact O-N 3.43Å; E20-I23 WeakPolarHBondContact O-CB 3.47Å; E20-I23 PolarHBondContact O-N 3.15Å; E20-I23 VanDerWaalsContact O-N 3.08Å; Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 PolarHBondContact O-N 3.12Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 3.48Å; I23-L26 PolarHBondContact O-N 3.41Å; I23-E27 HydrophobicContact CG2-CG 4.31Å; I23-E27 WeakPolarHBondContact O-CG 3.37Å; I23-E27 PolarHBondContact O-N 3.16Å; I23-I52 HydrophobicContact CD1-CB 4.47Å; I23-I52 HydrophobicContact CD1-CG2 3.8Å; I23-I52 HydrophobicContact CG1-CB 4.16Å; I23-I52 HydrophobicContact CG1-CG2 3.43Å; I23-I52 VanDerWaalsContact CG1-CG2 3.43Å; I23-D53 WeakPolarHBondContact CD1-OD1 3.48Å; I23-I56 HydrophobicContact CD1-CD1 3.45Å; I23-I56 VanDerWaalsContact CD1-CD1 3.45Å; I23-I56 HydrophobicContact CG1-CD1 4.35Å
24	E	90	Very high	87.2	Confident	136 Å²	136	78.8 Å²	78.8	64%	0.636	40%	0.403	S	S	*	.	H	α-helix	trans	-61.2	-41.6	179.1	-66	-173.4	170	0	0	111.8	E20 Q21 E27 S28	E20-E24 PolarHBondContact O-N 3.45Å; Q21-E24 PolarHBondContact O-N 2.99Å; Q21-E24 VanDerWaalsContact O-N 3.16Å; E24-E27 PolarHBondContact O-N 2.94Å; E24-S28 WeakPolarHBondContact O-CB 3.24Å; E24-S28 PolarHBondContact O-N 2.94Å
25	E	89.6	Confident	85.9	Confident	117 Å²	117	82.6 Å²	82.6	55%	0.547	42%	0.418	S	S	.	.	H	α-helix	trans	-62.6	-46.1	175.4	-71.9	178.4	-175	0	0	111.5	Q21 I23 E27 S28 M29	Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 2.94Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 3.48Å; E25-E27 PolarHBondContact O-N 3.21Å; E25-S28 WeakPolarHBondContact O-CB 3.36Å; E25-S28 PolarHBondContact O-N 3.4Å; E25-M29 WeakPolarHBondContact O-CG 3.47Å; E25-M29 PolarHBondContact O-N 2.97Å
26	L	87.5	Confident	84.3	Confident	17 Å²	17	88.1 Å²	88.1	9%	0.089	44%	0.444	C	S	.	.	H	α-helix	trans	-62.5	-42.6	177.7	-174.8	147.5	0	0	0	112.1	A22 I23 M29 C30 A45 E48 R49 I52	A22-L26 VanDerWaalsContact O-CB 3.29Å; A22-L26 WeakPolarHBondContact O-CB 3.32Å; A22-L26 PolarHBondContact O-N 3.47Å; I23-L26 PolarHBondContact O-N 3.41Å; L26-M29 PolarHBondContact O-N 3.34Å; L26-C30 PolarHBondContact O-N 2.98Å; L26-C30 PolarHBondContact O-SG 3.11Å; L26-A45 HydrophobicContact CD2-CB 4.04Å; L26-E48 HydrophobicContact CD1-CB 3.83Å; L26-E48 HydrophobicContact CD1-CG 3.54Å; L26-R49 HydrophobicContact CD2-CB 4.31Å; L26-I52 HydrophobicContact CD1-CD1 4.14Å
27	E	85.5	Confident	82.9	Confident	57 Å²	57	93.4 Å²	93.4	27%	0.266	47%	0.472	S	S	.	.	H	α-helix	trans	-65.2	-38.6	175.1	-74.4	-168.4	173.2	0	0	112.4	I23 E24 E25 C30 K31 R49	I23-E27 HydrophobicContact CG2-CG 4.31Å; I23-E27 WeakPolarHBondContact O-CG 3.37Å; I23-E27 PolarHBondContact O-N 3.16Å; E24-E27 PolarHBondContact O-N 2.94Å; E25-E27 PolarHBondContact O-N 3.21Å; E27-C30 PolarHBondContact O-N 3.11Å; E27-K31 WeakPolarHBondContact O-CG 3.31Å; E27-K31 PolarHBondContact O-N 2.94Å; E27-K31 VanDerWaalsContact O-N 3.12Å; E27-K31 IonicContact OE2-NZ 3.15Å; E27-R49 IonicContact OE1-CZ 3.91Å; E27-R49 IonicContact OE1-NH1 3.93Å; E27-R49 PolarHBondContact OE1-NH1 3.06Å; E27-R49 IonicContact OE1-NH2 3.91Å; E27-R49 PolarHBondContact OE1-NH2 3.39Å
28	S	86.3	Confident	81.6	Confident	76 Å²	76	92.3 Å²	92.3	53%	0.531	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-45.7	176	-175.7	0	0	0	0	111.3	E24 E25 C30 K31 S32	E24-S28 WeakPolarHBondContact O-CB 3.24Å; E24-S28 PolarHBondContact O-N 2.94Å; E25-S28 WeakPolarHBondContact O-CB 3.36Å; E25-S28 PolarHBondContact O-N 3.4Å; S28-C30 VanDerWaalsContact C-N 3.33Å; S28-C30 PolarHBondContact O-N 3.27Å; S28-K31 PolarHBondContact O-N 3.04Å; S28-S32 PolarHBondContact O-N 2.95Å
29	M	83.6	Confident	80.6	Confident	134 Å²	134	94.3 Å²	94.3	66%	0.66	47%	0.474	S	S	*	.	H	α-helix	trans	-57.9	-46.3	174.9	-73.1	179.2	69	0	0	111	E25 L26 K31 S32	E25-M29 WeakPolarHBondContact O-CG 3.47Å; E25-M29 PolarHBondContact O-N 2.97Å; L26-M29 PolarHBondContact O-N 3.34Å; M29-K31 VanDerWaalsContact C-N 3.32Å; M29-K31 PolarHBondContact O-N 3.06Å; M29-S32 PolarHBondContact O-N 3.35Å; M29-S32 VanDerWaalsContact O-N 3.09Å; M29-S32 PolarHBondContact O-OG 3.37Å
30	C	80.9	Confident	79.9	Confident	35 Å²	35	101.3 Å²	101.3	24%	0.236	51%	0.506	C	S	.	.	H	α-helix	trans	-59.2	-39.4	177.9	-70.1	0	0	0	0	113.4	L26 E27 S28 S32 L33 A45	L26-C30 PolarHBondContact O-N 2.98Å; L26-C30 PolarHBondContact O-SG 3.11Å; E27-C30 PolarHBondContact O-N 3.11Å; S28-C30 VanDerWaalsContact C-N 3.33Å; S28-C30 PolarHBondContact O-N 3.27Å; C30-S32 PolarHBondContact O-N 3.07Å; C30-L33 PolarHBondContact O-N 2.82Å; C30-A45 WeakPolarHBondContact SG-CB 3.45Å
31	K	80.3	Confident	79.2	Confident	164 Å²	164	101.2 Å²	101.2	71%	0.713	51%	0.507	S	S	*	.	H	α-helix	trans	-69.1	-20.8	178.6	-72	166.4	-172.8	160.8	0	113.3	E27 S28 M29	E27-K31 WeakPolarHBondContact O-CG 3.31Å; E27-K31 PolarHBondContact O-N 2.94Å; E27-K31 VanDerWaalsContact O-N 3.12Å; E27-K31 IonicContact OE2-NZ 3.15Å; S28-K31 PolarHBondContact O-N 3.04Å; M29-K31 VanDerWaalsContact C-N 3.32Å; M29-K31 PolarHBondContact O-N 3.06Å
32	S	76.9	Confident	78.5	Confident	92 Å²	92	99.9 Å²	99.9	64%	0.643	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.5	-178.5	72.8	0	0	0	0	114.6	S28 M29 C30	S28-S32 PolarHBondContact O-N 2.95Å; M29-S32 PolarHBondContact O-N 3.35Å; M29-S32 VanDerWaalsContact O-N 3.09Å; M29-S32 PolarHBondContact O-OG 3.37Å; C30-S32 PolarHBondContact O-N 3.07Å
33	L	72.9	Confident	78.2	Confident	56 Å²	56	103.2 Å²	103.2	29%	0.293	51%	0.51	S	S	.	.			trans	-76.6	145.2	-177.6	-68.1	169.6	0	0	0	112.8	C30 L41	C30-L33 PolarHBondContact O-N 2.82Å; L33-L41 HydrophobicContact CD1-CB 3.79Å; L33-L41 HydrophobicContact CD1-CD1 4.3Å; L33-L41 HydrophobicContact CD1-CG 4.44Å; L33-L41 HydrophobicContact CD2-CD1 4.1Å
34	N	64.4	Low	77.9	Confident	133 Å²	133	107.2 Å²	107.2	71%	0.711	53%	0.531	S	S	*	.			trans	-88	153.5	176.4	-72.4	-40.2	0	0	0	111.9	Q36 D37	N34-Q36 PolarHBondContact O-N 3.17Å; N34-D37 PolarHBondContact O-N 2.94Å
35	K	65.9	Low	77.7	Confident	187 Å²	187	101.4 Å²	101.4	81%	0.813	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-13.9	-170.7	-68.6	-175.6	176.6	-178.4	0	118.3	E38	K35-E38 WeakPolarHBondContact CA-OE2 3.43Å
36	Q	61.8	Low	77.5	Confident	190 Å²	190	101.1 Å²	101.1	89%	0.888	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-26.3	-174.1	-70.3	-169.6	-76.2	0	0	113.9	N34	N34-Q36 PolarHBondContact O-N 3.17Å
37	D	63.3	Low	77.7	Confident	110 Å²	110	106.2 Å²	106.2	59%	0.588	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	2.2	179.2	-56	-52.3	0	0	0	112.6	N34 K39 L41	N34-D37 PolarHBondContact O-N 2.94Å; D37-K39 PolarHBondContact O-N 3.33Å; D37-L41 HydrophobicContact CB-CD1 3.67Å; D37-L41 PolarHBondContact O-N 3.36Å
38	E	68.1	Low	77.9	Confident	70 Å²	70	109 Å²	109	33%	0.327	54%	0.544	S	S	.	.	H	α-helix	trans	-55.7	-43	-168.6	-110.8	-177.7	146.4	0	0	114	K35 Q42	K35-E38 WeakPolarHBondContact CA-OE2 3.43Å; E38-Q42 WeakPolarHBondContact O-CB 3.21Å; E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 2.93Å
39	K	74.4	Confident	78.1	Confident	154 Å²	154	109.7 Å²	109.7	67%	0.67	54%	0.535	S	S	*	.	H	α-helix	trans	-75.5	-46.9	-164.9	-160.1	-179.6	178.6	-171.2	0	113.7	D37 E43	D37-K39 PolarHBondContact O-N 3.33Å; K39-E43 WeakPolarHBondContact O-CG 3.39Å; K39-E43 PolarHBondContact O-N 2.89Å; K39-E43 VanDerWaalsContact O-N 3.11Å
40	Q	77.9	Confident	78.5	Confident	158 Å²	158	108.9 Å²	108.9	74%	0.738	53%	0.53	S	S	*	.	H	α-helix	trans	-70.2	-38.4	178	-84.9	-177.3	-29.8	0	0	111.8	E43 L44	Q40-E43 PolarHBondContact O-N 3.08Å; Q40-L44 WeakPolarHBondContact O-CG 3.41Å; Q40-L44 PolarHBondContact O-N 2.69Å; Q40-L44 VanDerWaalsContact O-N 3.11Å
41	L	78.4	Confident	79.1	Confident	72 Å²	72	111.5 Å²	111.5	38%	0.377	55%	0.545	S	S	.	.	H	α-helix	trans	-69	-35.9	176	-86.4	148.2	0	0	0	112.5	L33 D37 A45	L33-L41 HydrophobicContact CD1-CB 3.79Å; L33-L41 HydrophobicContact CD1-CD1 4.3Å; L33-L41 HydrophobicContact CD1-CG 4.44Å; L33-L41 HydrophobicContact CD2-CD1 4.1Å; D37-L41 HydrophobicContact CB-CD1 3.67Å; D37-L41 PolarHBondContact O-N 3.36Å; L41-A45 VanDerWaalsContact O-CB 3.26Å; L41-A45 WeakPolarHBondContact O-CB 3.28Å; L41-A45 PolarHBondContact O-N 3.22Å
42	Q	79.2	Confident	79.7	Confident	83 Å²	83	105 Å²	105	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-42.1	173.5	-80.7	171.8	0.6	0	0	112	E38 A45 L46	E38-Q42 WeakPolarHBondContact O-CB 3.21Å; E38-Q42 WeakPolarHBondContact O-CG 3.4Å; E38-Q42 PolarHBondContact O-N 2.93Å; Q42-A45 PolarHBondContact O-N 3.44Å; Q42-L46 WeakPolarHBondContact O-CB 3.42Å; Q42-L46 VanDerWaalsContact O-CG 3.24Å; Q42-L46 WeakPolarHBondContact O-CG 3.34Å; Q42-L46 PolarHBondContact O-N 2.87Å
43	E	83.9	Confident	80.4	Confident	107 Å²	107	103.4 Å²	103.4	50%	0.5	50%	0.502	S	S	.	.	H	α-helix	trans	-60.9	-46.4	176.1	-77.5	171.7	-172.4	0	0	111.2	K39 Q40 A45 L46 E47	K39-E43 WeakPolarHBondContact O-CG 3.39Å; K39-E43 PolarHBondContact O-N 2.89Å; K39-E43 VanDerWaalsContact O-N 3.11Å; Q40-E43 PolarHBondContact O-N 3.08Å; E43-A45 PolarHBondContact O-N 3.49Å; E43-L46 PolarHBondContact O-N 2.95Å; E43-E47 PolarHBondContact O-N 2.83Å; E43-E47 VanDerWaalsContact O-N 3.11Å
44	L	85.4	Confident	81.5	Confident	104 Å²	104	105.3 Å²	105.3	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-62	-43.2	175.9	-71.4	170.1	0	0	0	112.7	Q40 L46 E47 E48	Q40-L44 WeakPolarHBondContact O-CG 3.41Å; Q40-L44 PolarHBondContact O-N 2.69Å; Q40-L44 VanDerWaalsContact O-N 3.11Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 3.42Å; L44-E47 PolarHBondContact O-N 3.06Å; L44-E48 WeakPolarHBondContact O-CB 3.36Å; L44-E48 PolarHBondContact O-N 3.02Å
45	A	85.3	Confident	82.9	Confident	14 Å²	14	103.2 Å²	103.2	12%	0.116	49%	0.494	C	S	.	.	H	α-helix	trans	-65.5	-33.4	177.9	0	0	0	0	0	112.7	L26 C30 L41 Q42 E43 R49	L26-A45 HydrophobicContact CD2-CB 4.04Å; C30-A45 WeakPolarHBondContact SG-CB 3.45Å; L41-A45 VanDerWaalsContact O-CB 3.26Å; L41-A45 WeakPolarHBondContact O-CB 3.28Å; L41-A45 PolarHBondContact O-N 3.22Å; Q42-A45 PolarHBondContact O-N 3.44Å; E43-A45 PolarHBondContact O-N 3.49Å; A45-R49 WeakPolarHBondContact O-CB 3.37Å; A45-R49 PolarHBondContact O-N 3.22Å
46	L	86.3	Confident	84.1	Confident	111 Å²	111	95 Å²	95	58%	0.581	46%	0.459	S	S	*	.	H	α-helix	trans	-67.5	-41.5	174.1	-74.3	169.1	0	0	0	111.8	Q42 E43 L44 Q50	Q42-L46 WeakPolarHBondContact O-CB 3.42Å; Q42-L46 VanDerWaalsContact O-CG 3.24Å; Q42-L46 WeakPolarHBondContact O-CG 3.34Å; Q42-L46 PolarHBondContact O-N 2.87Å; E43-L46 PolarHBondContact O-N 2.95Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 3.42Å; L46-Q50 WeakPolarHBondContact O-CB 3.43Å; L46-Q50 PolarHBondContact O-N 3.49Å
47	E	90.3	Very high	85.7	Confident	124 Å²	124	90.7 Å²	90.7	58%	0.579	44%	0.442	S	S	*	.	H	α-helix	trans	-64.3	-43.1	175.4	-70.9	179.6	175.8	0	0	111.9	E43 L44 Q50 T51	E43-E47 PolarHBondContact O-N 2.83Å; E43-E47 VanDerWaalsContact O-N 3.11Å; L44-E47 PolarHBondContact O-N 3.06Å; E47-Q50 PolarHBondContact O-N 3.03Å; E47-T51 PolarHBondContact O-N 3.2Å; E47-T51 PolarHBondContact O-OG1 2.95Å
48	E	89.9	Confident	87.1	Confident	114 Å²	114	91.6 Å²	91.6	53%	0.533	44%	0.444	S	S	.	.	H	α-helix	trans	-65.5	-45.5	176.9	-173.2	169	-164.1	0	0	111	L26 L44 Q50 T51 I52	L26-E48 HydrophobicContact CD1-CB 3.83Å; L26-E48 HydrophobicContact CD1-CG 3.54Å; L44-E48 WeakPolarHBondContact O-CB 3.36Å; L44-E48 PolarHBondContact O-N 3.02Å; E48-Q50 VanDerWaalsContact C-N 3.32Å; E48-Q50 PolarHBondContact O-N 3.33Å; E48-T51 WeakPolarHBondContact O-CB 3.27Å; E48-T51 PolarHBondContact O-N 2.89Å; E48-T51 VanDerWaalsContact O-N 3.08Å; E48-I52 HydrophobicContact CG-CD1 4.11Å; E48-I52 VanDerWaalsContact O-CG1 3.31Å; E48-I52 WeakPolarHBondContact O-CG1 3.39Å; E48-I52 PolarHBondContact O-N 3.25Å
49	R	90.3	Very high	88.3	Confident	91 Å²	91	88.8 Å²	88.8	34%	0.343	43%	0.431	S	S	.	.	H	α-helix	trans	-55.3	-46.5	172.6	-178.5	-174.4	-178.7	133.8	14.5	111.8	L26 E27 A45 T51 I52 D53	L26-R49 HydrophobicContact CD2-CB 4.31Å; E27-R49 IonicContact OE1-CZ 3.91Å; E27-R49 IonicContact OE1-NH1 3.93Å; E27-R49 PolarHBondContact OE1-NH1 3.06Å; E27-R49 IonicContact OE1-NH2 3.91Å; E27-R49 PolarHBondContact OE1-NH2 3.39Å; A45-R49 WeakPolarHBondContact O-CB 3.37Å; A45-R49 PolarHBondContact O-N 3.22Å; R49-T51 VanDerWaalsContact C-N 3.25Å; R49-T51 PolarHBondContact O-N 3.47Å; R49-I52 PolarHBondContact O-N 3.26Å; R49-I52 VanDerWaalsContact O-N 3.17Å; R49-D53 IonicContact NE-OD2 2.97Å; R49-D53 WeakPolarHBondContact O-CB 3.42Å; R49-D53 PolarHBondContact O-N 3.36Å
50	Q	92.8	Very high	89.1	Confident	118 Å²	118	85.1 Å²	85.1	55%	0.551	41%	0.414	S	S	*	.	H	α-helix	trans	-60.4	-38.4	178.6	-175.1	-177.7	-41.2	0	0	111.6	L46 E47 E48 Q54	L46-Q50 WeakPolarHBondContact O-CB 3.43Å; L46-Q50 PolarHBondContact O-N 3.49Å; E47-Q50 PolarHBondContact O-N 3.03Å; E48-Q50 VanDerWaalsContact C-N 3.32Å; E48-Q50 PolarHBondContact O-N 3.33Å; Q50-Q54 VanDerWaalsContact O-CG 3.28Å; Q50-Q54 WeakPolarHBondContact O-CG 3.44Å; Q50-Q54 PolarHBondContact O-N 3.11Å
51	T	93.8	Very high	89.7	Confident	90 Å²	90	82.2 Å²	82.2	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-66	-42.6	176.6	-56	0	0	0	0	111.3	E47 E48 R49 Q54 K55	E47-T51 PolarHBondContact O-N 3.2Å; E47-T51 PolarHBondContact O-OG1 2.95Å; E48-T51 WeakPolarHBondContact O-CB 3.27Å; E48-T51 PolarHBondContact O-N 2.89Å; E48-T51 VanDerWaalsContact O-N 3.08Å; R49-T51 VanDerWaalsContact C-N 3.25Å; R49-T51 PolarHBondContact O-N 3.47Å; T51-Q54 PolarHBondContact O-N 2.88Å; T51-K55 PolarHBondContact O-N 3.37Å
52	I	92.4	Very high	90.2	Very high	26 Å²	26	83.8 Å²	83.8	13%	0.133	41%	0.409	C	S	.	.	H	α-helix	trans	-66.2	-43.8	177.3	-61.7	169	0	0	0	110.7	T19 I23 L26 E48 R49 Q54 K55 I56	T19-I52 HydrophobicContact CG2-CG2 3.45Å; T19-I52 VanDerWaalsContact CG2-CG2 3.45Å; I23-I52 HydrophobicContact CD1-CB 4.47Å; I23-I52 HydrophobicContact CD1-CG2 3.8Å; I23-I52 HydrophobicContact CG1-CB 4.16Å; I23-I52 HydrophobicContact CG1-CG2 3.43Å; I23-I52 VanDerWaalsContact CG1-CG2 3.43Å; L26-I52 HydrophobicContact CD1-CD1 4.14Å; E48-I52 HydrophobicContact CG-CD1 4.11Å; E48-I52 VanDerWaalsContact O-CG1 3.31Å; E48-I52 WeakPolarHBondContact O-CG1 3.39Å; E48-I52 PolarHBondContact O-N 3.25Å; R49-I52 PolarHBondContact O-N 3.26Å; R49-I52 VanDerWaalsContact O-N 3.17Å; I52-Q54 VanDerWaalsContact C-N 3.3Å; I52-Q54 PolarHBondContact O-N 3.06Å; I52-K55 WeakPolarHBondContact O-CA 3.48Å; I52-K55 WeakPolarHBondContact O-CB 3.36Å; I52-K55 PolarHBondContact O-N 3.02Å; I52-I56 HydrophobicContact CG2-CD1 4.25Å; I52-I56 WeakPolarHBondContact O-CG1 3.38Å; I52-I56 PolarHBondContact O-N 2.96Å
53	D	92.3	Very high	90.6	Very high	60 Å²	60	81 Å²	81	32%	0.321	40%	0.396	S	S	.	.	H	α-helix	trans	-59.7	-39.7	175.4	-78.5	-30.1	0	0	0	111.8	I23 R49 I56 N57	I23-D53 WeakPolarHBondContact CD1-OD1 3.48Å; R49-D53 IonicContact NE-OD2 2.97Å; R49-D53 WeakPolarHBondContact O-CB 3.42Å; R49-D53 PolarHBondContact O-N 3.36Å; D53-I56 PolarHBondContact O-N 2.97Å; D53-N57 PolarHBondContact O-N 2.96Å; D53-N57 PolarHBondContact O-ND2 3.23Å
54	Q	94.9	Very high	90.7	Very high	95 Å²	95	82 Å²	82	44%	0.444	40%	0.4	S	S	.	.	H	α-helix	trans	-63.2	-42.7	173.6	-74.7	174.9	2.8	0	0	111.6	Q50 T51 I52 N57 M58	Q50-Q54 VanDerWaalsContact O-CG 3.28Å; Q50-Q54 WeakPolarHBondContact O-CG 3.44Å; Q50-Q54 PolarHBondContact O-N 3.11Å; T51-Q54 PolarHBondContact O-N 2.88Å; I52-Q54 VanDerWaalsContact C-N 3.3Å; I52-Q54 PolarHBondContact O-N 3.06Å; Q54-N57 PolarHBondContact O-N 3.33Å; Q54-M58 WeakPolarHBondContact O-CG 3.47Å; Q54-M58 PolarHBondContact O-N 3.04Å
55	K	93.9	Very high	90.6	Very high	89 Å²	89	84.2 Å²	84.2	39%	0.387	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-46	176	-169	-171.9	179.5	-151.6	0	111.4	E15 T19 T51 I52 N57 M58 L59	E15-K55 WeakPolarHBondContact OE1-CE 3.44Å; E15-K55 IonicContact OE1-NZ 2.77Å; E15-K55 PolarHBondContact OE1-NZ 3.29Å; T19-K55 HydrophobicContact CG2-CD 4.1Å; T51-K55 PolarHBondContact O-N 3.37Å; I52-K55 WeakPolarHBondContact O-CA 3.48Å; I52-K55 WeakPolarHBondContact O-CB 3.36Å; I52-K55 PolarHBondContact O-N 3.02Å; K55-N57 VanDerWaalsContact C-N 3.32Å; K55-N57 PolarHBondContact O-N 3.47Å; K55-M58 WeakPolarHBondContact O-CB 3.47Å; K55-M58 PolarHBondContact O-N 3.38Å; K55-M58 VanDerWaalsContact O-N 3.12Å; K55-L59 HydrophobicContact CG-CD1 4.26Å; K55-L59 WeakPolarHBondContact O-CG 3.28Å; K55-L59 PolarHBondContact O-N 2.9Å
56	I	92.6	Very high	90.4	Very high	15 Å²	15	85.9 Å²	85.9	8%	0.077	42%	0.418	C	S	.	.	H	α-helix	trans	-57.7	-46.2	176.7	-70.7	175.9	0	0	0	110.7	T19 E20 I23 I52 D53 M58 L59 Y60	T19-I56 HydrophobicContact CG2-CD1 4.04Å; T19-I56 HydrophobicContact CG2-CG1 3.47Å; T19-I56 VanDerWaalsContact CG2-CG1 3.47Å; E20-I56 HydrophobicContact CG-CD1 3.9Å; I23-I56 HydrophobicContact CD1-CD1 3.45Å; I23-I56 VanDerWaalsContact CD1-CD1 3.45Å; I23-I56 HydrophobicContact CG1-CD1 4.35Å; I52-I56 HydrophobicContact CG2-CD1 4.25Å; I52-I56 WeakPolarHBondContact O-CG1 3.38Å; I52-I56 PolarHBondContact O-N 2.96Å; D53-I56 PolarHBondContact O-N 2.97Å; I56-M58 VanDerWaalsContact C-N 3.31Å; I56-M58 PolarHBondContact O-N 3.12Å; I56-L59 PolarHBondContact O-N 3.41Å; I56-Y60 HydrophobicContact CG2-CD2 3.47Å; I56-Y60 VanDerWaalsContact CG2-CD2 3.47Å; I56-Y60 HydrophobicContact CG2-CE2 3.32Å; I56-Y60 VanDerWaalsContact O-CD2 3.28Å; I56-Y60 WeakPolarHBondContact O-CD2 3.43Å; I56-Y60 PolarHBondContact O-N 3.22Å
57	N	93.8	Very high	90.1	Very high	99 Å²	99	85.4 Å²	85.4	53%	0.529	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-37.8	176.9	-79.1	-61.2	0	0	0	112.8	D53 Q54 K55 N61	D53-N57 PolarHBondContact O-N 2.96Å; D53-N57 PolarHBondContact O-ND2 3.23Å; Q54-N57 PolarHBondContact O-N 3.33Å; K55-N57 VanDerWaalsContact C-N 3.32Å; K55-N57 PolarHBondContact O-N 3.47Å; N57-N61 PolarHBondContact O-N 3.2Å; N57-N61 VanDerWaalsContact O-N 3.14Å; N57-N61 PolarHBondContact O-ND2 3.49Å
58	M	94.4	Very high	89.5	Confident	130 Å²	130	84.1 Å²	84.1	64%	0.64	42%	0.415	S	S	*	.	H	α-helix	trans	-65.3	-45.2	174.8	-68.3	180	-161.4	0	0	111.5	Q54 K55 I56 Y60 N61 E62	Q54-M58 WeakPolarHBondContact O-CG 3.47Å; Q54-M58 PolarHBondContact O-N 3.04Å; K55-M58 WeakPolarHBondContact O-CB 3.47Å; K55-M58 PolarHBondContact O-N 3.38Å; K55-M58 VanDerWaalsContact O-N 3.12Å; I56-M58 VanDerWaalsContact C-N 3.31Å; I56-M58 PolarHBondContact O-N 3.12Å; M58-Y60 PolarHBondContact O-N 2.88Å; M58-N61 WeakPolarHBondContact O-CB 3.28Å; M58-N61 PolarHBondContact O-N 3.14Å; M58-E62 PolarHBondContact O-N 3.17Å
59	L	92.6	Very high	88.4	Confident	10 Å²	10	83.7 Å²	83.7	5%	0.052	42%	0.423	C	S	.	.	H	α-helix	trans	-63.6	-40.8	178.6	-68.8	169.4	0	0	0	112.3	E15 I16 K55 I56 N61 E62 L63	E15-L59 HydrophobicContact CB-CD1 4.38Å; E15-L59 HydrophobicContact CG-CD1 3.88Å; E15-L59 HydrophobicContact CG-CD2 4.23Å; I16-L59 HydrophobicContact CD1-CB 4.06Å; I16-L59 HydrophobicContact CG1-CB 3.54Å; I16-L59 HydrophobicContact CG1-CD1 4.08Å; I16-L59 HydrophobicContact CG1-CG 4.41Å; K55-L59 HydrophobicContact CG-CD1 4.26Å; K55-L59 WeakPolarHBondContact O-CG 3.28Å; K55-L59 PolarHBondContact O-N 2.9Å; I56-L59 PolarHBondContact O-N 3.41Å; L59-N61 PolarHBondContact O-N 3.44Å; L59-E62 PolarHBondContact O-N 2.95Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 2.92Å
60	Y	91.7	Very high	87.1	Confident	77 Å²	77	87.9 Å²	87.9	30%	0.302	44%	0.443	S	S	.	.	H	α-helix	trans	-61.5	-42.9	173.4	-85.3	-64.8	0	0	0	111.7	I16 E20 I56 M58 E62 L63 F64	I16-Y60 HydrophobicContact CD1-CD1 3.99Å; I16-Y60 HydrophobicContact CD1-CE1 4.08Å; I16-Y60 HydrophobicContact CD1-CG 4.26Å; I16-Y60 HydrophobicContact CG2-CE1 4.39Å; I16-Y60 HydrophobicContact CG2-CE2 4.02Å; E20-Y60 PolarHBondContact OE1-OH 3.03Å; I56-Y60 HydrophobicContact CG2-CD2 3.47Å; I56-Y60 VanDerWaalsContact CG2-CD2 3.47Å; I56-Y60 HydrophobicContact CG2-CE2 3.32Å; I56-Y60 VanDerWaalsContact O-CD2 3.28Å; I56-Y60 WeakPolarHBondContact O-CD2 3.43Å; I56-Y60 PolarHBondContact O-N 3.22Å; M58-Y60 PolarHBondContact O-N 2.88Å; Y60-E62 VanDerWaalsContact C-N 3.33Å; Y60-E62 PolarHBondContact O-N 3.3Å; Y60-L63 WeakPolarHBondContact O-CB 3.36Å; Y60-L63 PolarHBondContact O-N 2.87Å; Y60-F64 WeakPolarHBondContact O-CD2 3.44Å; Y60-F64 PolarHBondContact O-N 3Å
61	N	89.9	Confident	85.9	Confident	98 Å²	98	88.6 Å²	88.6	52%	0.524	45%	0.447	S	S	.	.	H	α-helix	trans	-62	-41.6	176.1	-79.5	-52.5	0	0	0	112.1	N57 M58 L59 F64 Q65	N57-N61 PolarHBondContact O-N 3.2Å; N57-N61 VanDerWaalsContact O-N 3.14Å; N57-N61 PolarHBondContact O-ND2 3.49Å; M58-N61 WeakPolarHBondContact O-CB 3.28Å; M58-N61 PolarHBondContact O-N 3.14Å; L59-N61 PolarHBondContact O-N 3.44Å; N61-F64 PolarHBondContact O-N 2.83Å; N61-Q65 WeakPolarHBondContact O-CG 3.37Å; N61-Q65 PolarHBondContact O-N 3.46Å
62	E	89	Confident	84.5	Confident	105 Å²	105	92.3 Å²	92.3	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.5	-170.6	177.6	172.5	0	0	111.6	I12 M58 L59 Y60 F64 Q65 S66	I12-E62 HydrophobicContact CD1-CG 3.98Å; M58-E62 PolarHBondContact O-N 3.17Å; L59-E62 PolarHBondContact O-N 2.95Å; Y60-E62 VanDerWaalsContact C-N 3.33Å; Y60-E62 PolarHBondContact O-N 3.3Å; E62-F64 PolarHBondContact O-N 2.89Å; E62-Q65 PolarHBondContact O-N 3.29Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 3.47Å
63	L	87.9	Confident	83.4	Confident	23 Å²	23	98.1 Å²	98.1	12%	0.12	48%	0.477	C	S	.	.	H	α-helix	trans	-58.9	-47.4	175.5	-173.3	68.6	0	0	0	111.3	L9 I12 I16 L59 Y60 Q65 S66 L67	L9-L63 HydrophobicContact CB-CD1 4.34Å; L9-L63 HydrophobicContact CD2-CD1 3.93Å; L9-L63 HydrophobicContact CG-CD1 4.39Å; I12-L63 HydrophobicContact CB-CD1 4.21Å; I12-L63 HydrophobicContact CG2-CB 3.85Å; I12-L63 HydrophobicContact CG2-CD1 4.07Å; I16-L63 HydrophobicContact CD1-CD2 4.13Å; L59-L63 WeakPolarHBondContact O-CB 3.46Å; L59-L63 PolarHBondContact O-N 2.92Å; Y60-L63 WeakPolarHBondContact O-CB 3.36Å; Y60-L63 PolarHBondContact O-N 2.87Å; L63-Q65 PolarHBondContact O-N 3.44Å; L63-S66 PolarHBondContact O-N 2.97Å; L63-S66 VanDerWaalsContact O-N 3.17Å; L63-L67 HydrophobicContact CG-CD1 4.39Å; L63-L67 WeakPolarHBondContact O-CG 3.5Å; L63-L67 PolarHBondContact O-N 2.97Å
64	F	85.1	Confident	82.3	Confident	130 Å²	130	99.2 Å²	99.2	57%	0.57	48%	0.483	S	S	*	.	H	α-helix	trans	-60.6	-43.6	177.7	-80.7	-61.1	0	0	0	112.2	Y60 N61 E62 S66 L67	Y60-F64 WeakPolarHBondContact O-CD2 3.44Å; Y60-F64 PolarHBondContact O-N 3Å; N61-F64 PolarHBondContact O-N 2.83Å; E62-F64 PolarHBondContact O-N 2.89Å; F64-S66 VanDerWaalsContact C-N 3.3Å; F64-S66 PolarHBondContact O-N 3.02Å; F64-L67 HydrophobicContact CD1-CD1 4.41Å; F64-L67 PolarHBondContact O-N 3.4Å
65	Q	83.1	Confident	81	Confident	150 Å²	150	103 Å²	103	70%	0.701	50%	0.498	S	S	*	.	H	α-helix	trans	-64.1	-36.4	176	-72.1	-177.7	15.7	0	0	112.1	N61 E62 L63 L67 V68	N61-Q65 WeakPolarHBondContact O-CG 3.37Å; N61-Q65 PolarHBondContact O-N 3.46Å; E62-Q65 PolarHBondContact O-N 3.29Å; L63-Q65 PolarHBondContact O-N 3.44Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; Q65-V68 PolarHBondContact O-N 3.48Å
66	S	80.9	Confident	80.3	Confident	48 Å²	48	102.8 Å²	102.8	34%	0.336	50%	0.501	S	S	.	.	H	α-helix	trans	-74.6	-21.8	178.2	-169.8	0	0	0	0	113.7	E62 L63 F64 V68	E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 3.47Å; L63-S66 PolarHBondContact O-N 2.97Å; L63-S66 VanDerWaalsContact O-N 3.17Å; F64-S66 VanDerWaalsContact C-N 3.3Å; F64-S66 PolarHBondContact O-N 3.02Å; S66-V68 VanDerWaalsContact C-N 3.31Å
67	L	80.6	Confident	79.9	Confident	101 Å²	101	105.8 Å²	105.8	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-74.5	-22.8	174.6	-77.6	167.7	0	0	0	112.6	L9 L63 F64 Q65 P69	L9-L67 HydrophobicContact CD2-CD2 3.3Å; L9-L67 HydrophobicContact CD2-CG 3.58Å; L63-L67 HydrophobicContact CG-CD1 4.39Å; L63-L67 WeakPolarHBondContact O-CG 3.5Å; L63-L67 PolarHBondContact O-N 2.97Å; F64-L67 HydrophobicContact CD1-CD1 4.41Å; F64-L67 PolarHBondContact O-N 3.4Å; Q65-L67 VanDerWaalsContact C-N 3.33Å; L67-P69 VanDerWaalsContact O-CD 3.28Å; L67-P69 WeakPolarHBondContact O-CD 3.04Å
68	V	77.2	Confident	79.5	Confident	97 Å²	97	105.2 Å²	105.2	59%	0.588	52%	0.516	S	S	*	.	S	Bend	trans	-68.7	114.9	174.2	-176.3	0	0	0	0	107.9	Q65 S66 K70	Q65-V68 PolarHBondContact O-N 3.48Å; S66-V68 VanDerWaalsContact C-N 3.31Å; V68-K70 PolarHBondContact O-N 3.07Å; V68-K70 VanDerWaalsContact O-N 3.14Å
69	P	68.4	Low	79.1	Confident	106 Å²	106	104.7 Å²	104.7	69%	0.688	52%	0.515	S	S	*	.			trans	-60.9	123.4	178.3	-11.1	23.5	0	0	0	108.1	L67 E71	L67-P69 VanDerWaalsContact O-CD 3.28Å; L67-P69 WeakPolarHBondContact O-CD 3.04Å; P69-E71 PolarHBondContact O-N 2.97Å; P69-E71 VanDerWaalsContact O-N 3.1Å
70	K	62.8	Low	78.7	Confident	178 Å²	178	106.7 Å²	106.7	77%	0.774	53%	0.526	S	S	*	.			trans	-64.5	113.6	169.4	-68.3	-177.4	-179.3	175.1	0	107.5	V68 D74	V68-K70 PolarHBondContact O-N 3.07Å; V68-K70 VanDerWaalsContact O-N 3.14Å; K70-D74 WeakPolarHBondContact CA-OD2 3.39Å
71	E	67.8	Low	78.4	Confident	134 Å²	134	108.8 Å²	108.8	63%	0.626	54%	0.538	S	S	*	.			trans	-68.5	148.9	176.4	-70	-145.2	152	0	0	109.7	P69 Y73 D74	P69-E71 PolarHBondContact O-N 2.97Å; P69-E71 VanDerWaalsContact O-N 3.1Å; E71-Y73 PolarHBondContact O-N 3.44Å; E71-D74 PolarHBondContact N-OD2 3.28Å; E71-D74 WeakPolarHBondContact O-CB 3.28Å; E71-D74 PolarHBondContact O-N 3.42Å; E71-D74 VanDerWaalsContact O-N 3.07Å
72	K	64	Low	78.1	Confident	168 Å²	168	104.9 Å²	104.9	73%	0.73	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-25.6	-179.4	-175.2	-177.5	173.9	-166.8	0	112.8
73	Y	68.4	Low	77.8	Confident	147 Å²	147	102.9 Å²	102.9	58%	0.576	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-1.7	-174.7	-50	-69.3	0	0	0	113.8	E71 K75 N76	E71-Y73 PolarHBondContact O-N 3.44Å; Y73-K75 PolarHBondContact O-N 2.92Å; Y73-N76 WeakPolarHBondContact CD1-ND2 3.49Å; Y73-N76 PolarHBondContact O-N 3.1Å
74	D	68.6	Low	77.5	Confident	84 Å²	84	102 Å²	102	45%	0.449	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.7	-177.8	-80.4	-15.1	0	0	0	114.1	K70 E71	K70-D74 WeakPolarHBondContact CA-OD2 3.39Å; E71-D74 PolarHBondContact N-OD2 3.28Å; E71-D74 WeakPolarHBondContact O-CB 3.28Å; E71-D74 PolarHBondContact O-N 3.42Å; E71-D74 VanDerWaalsContact O-N 3.07Å
75	K	69	Low	76.7	Confident	175 Å²	175	97.8 Å²	97.8	76%	0.761	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	1.9	-179.6	-62.2	-173.2	177.8	-174	0	113.6	Y73	Y73-K75 PolarHBondContact O-N 2.92Å
76	N	79.3	Confident	75.7	Confident	84 Å²	84	99.2 Å²	99.2	45%	0.449	50%	0.501	S	S	.	.	S	Bend	trans	-91.8	152.4	-176.5	-68.4	-5.7	0	0	0	110.9	Y73	Y73-N76 WeakPolarHBondContact CD1-ND2 3.49Å; Y73-N76 PolarHBondContact O-N 3.1Å
77	D	84.1	Confident	74.6	Confident	78 Å²	78	101.6 Å²	101.6	42%	0.417	51%	0.514	S	S	.	.			trans	-63.7	148	167.8	-62	-28.4	0	0	0	109.8	R135 R136	D77-R135 HydrophobicContact CB-CB 4.4Å; D77-R135 WeakPolarHBondContact OD1-CA 3.37Å; D77-R135 VanDerWaalsContact OD1-CG 3.27Å; D77-R135 WeakPolarHBondContact OD1-CG 3.47Å; D77-R135 WeakPolarHBondContact OD2-CD 3.38Å; D77-R135 WeakPolarHBondContact OD2-CG 3.23Å; D77-R135 IonicContact OD2-CZ 2.95Å; D77-R135 IonicContact OD2-NE 2.69Å; D77-R135 PolarHBondContact OD2-NE 3.07Å; D77-R136 PolarHBondContact OD1-N 3.39Å; D77-R136 VanDerWaalsContact OD1-N 3.07Å
78	V	84.6	Confident	73.3	Confident	86 Å²	86	104.4 Å²	104.4	52%	0.521	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.6	-176	-179.9	0	0	0	0	109.1	C134	V78-C134 PolarHBondContact N-O 2.95Å; V78-C134 PolarHBondContact O-N 3.45Å
79	I	85.9	Confident	72.5	Confident	120 Å²	120	101.6 Å²	101.6	62%	0.615	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.7	166.3	-60.3	174.4	0	0	0	106.8	L118 A133	I79-L118 HydrophobicContact CD1-CD1 4.44Å; I79-L118 HydrophobicContact CG2-CD1 4.31Å; I79-A133 HydrophobicContact CG1-CB 4.32Å
80	L	84.6	Confident	72.3	Confident	52 Å²	52	98 Å²	98	27%	0.272	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.8	173.9	-167.4	71.9	0	0	0	109.4	V82 Y104 F132	L80-V82 HydrophobicContact CD2-CG2 3.79Å; L80-V82 HydrophobicContact CG-CG2 4Å; L80-Y104 HydrophobicContact CD2-CD1 4.42Å; L80-Y104 HydrophobicContact CD2-CD2 3.69Å; L80-Y104 HydrophobicContact CD2-CE2 4.04Å; L80-Y104 HydrophobicContact CD2-CG 3.92Å; L80-F132 HydrophobicContact CB-CD1 4.39Å; L80-F132 HydrophobicContact CB-CD2 4.31Å; L80-F132 HydrophobicContact CB-CE1 3.9Å; L80-F132 HydrophobicContact CB-CE2 3.78Å; L80-F132 HydrophobicContact CB-CZ 3.59Å; L80-F132 HydrophobicContact CD2-CE1 3.61Å; L80-F132 HydrophobicContact CD2-CE2 4.13Å; L80-F132 HydrophobicContact CD2-CZ 3.22Å; L80-F132 HydrophobicContact CG-CE1 4.13Å; L80-F132 HydrophobicContact CG-CZ 3.93Å; L80-F132 PolarHBondContact N-O 3.37Å; L80-F132 PolarHBondContact O-N 3.28Å
81	E	85.7	Confident	72.8	Confident	120 Å²	120	95.6 Å²	95.6	56%	0.561	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.5	168.5	-178.3	-173.4	159.4	0	0	108.4	T83 I129 E131	E81-T83 PolarHBondContact OE1-OG1 3.14Å; E81-I129 HydrophobicContact CG-CG2 4.22Å; E81-E131 HydrophobicContact CB-CG 4.29Å; E81-E131 HydrophobicContact CG-CG 3.97Å
82	V	84.1	Confident	73.2	Confident	16 Å²	16	95.3 Å²	95.3	10%	0.097	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.4	176.2	-163.2	0	0	0	0	108	L80 T97 I100 E130 F132	L80-V82 HydrophobicContact CD2-CG2 3.79Å; L80-V82 HydrophobicContact CG-CG2 4Å; V82-T97 HydrophobicContact CB-CG2 4.34Å; V82-T97 HydrophobicContact CG1-CG2 3.72Å; V82-I100 HydrophobicContact CG1-CB 4.23Å; V82-I100 HydrophobicContact CG1-CG2 3.85Å; V82-I100 HydrophobicContact CG2-CG2 4.45Å; V82-E130 PolarHBondContact N-O 3.47Å; V82-E130 PolarHBondContact O-N 2.94Å; V82-F132 HydrophobicContact CG2-CE1 3.95Å
83	T	82.1	Confident	73.8	Confident	63 Å²	63	88.9 Å²	88.9	39%	0.387	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.7	-173.6	-68.1	0	0	0	0	111	E81 H128 I129	E81-T83 PolarHBondContact OE1-OG1 3.14Å; T83-H128 WeakPolarHBondContact CA-O 3.4Å; T83-I129 HydrophobicContact CG2-CG1 4.14Å
84	A	80.4	Confident	74.2	Confident	4 Å²	4	84.3 Å²	84.3	3%	0.033	47%	0.466	C	S	.	.			trans	-69.9	132.3	174.3	0	0	0	0	0	111.6	Q94 T97 H128	A84-Q94 HydrophobicContact CB-CG 4.2Å; A84-T97 VanDerWaalsContact CA-OG1 3.25Å; A84-T97 WeakPolarHBondContact CA-OG1 3.45Å; A84-T97 HydrophobicContact CB-CG2 4.4Å; A84-T97 WeakPolarHBondContact CB-OG1 3.44Å; A84-T97 PolarHBondContact N-OG1 3.34Å; A84-H128 HydrophobicContact CB-CB 3.82Å; A84-H128 PolarHBondContact N-O 3.44Å
85	G	69.6	Low	74.7	Confident	43 Å²	43	86 Å²	86	44%	0.443	47%	0.47	S	S	.	.			trans	-65	155.4	174.7	0	0	0	0	0	113
86	R	62.2	Low	75.4	Confident	179 Å²	179	83.5 Å²	83.5	68%	0.675	46%	0.46	S	S	*	.			trans	-97	24.2	-177.5	-71	-172.7	173.1	-165	-3.3	115.2	R127	R86-R127 VanDerWaalsContact NH2-CD 3.26Å; R86-R127 VanDerWaalsContact NH2-NE 3.16Å
87	T	57.8	Low	75.6	Confident	99 Å²	99	79.8 Å²	79.8	61%	0.607	44%	0.44	S	S	*	.	S	Bend	trans	-90.2	157.3	-176.7	41	0	0	0	0	112.9	G89 G90	T87-G89 PolarHBondContact O-N 3.07Å; T87-G89 VanDerWaalsContact O-N 3.1Å; T87-G90 PolarHBondContact O-N 3.42Å
88	T	53.2	Low	75.6	Confident	159 Å²	159	83.3 Å²	83.3	98%	0.975	45%	0.448	S	S	*	.	S	Bend	trans	-49.7	114.4	174.6	-46.1	0	0	0	0	110.2
89	G	59.9	Low	75.7	Confident	39 Å²	39	83.7 Å²	83.7	40%	0.402	44%	0.444	S	S	.	.			trans	115.8	27.3	-167	0	0	0	0	0	114.5	T87 D91 I92 C93	T87-G89 PolarHBondContact O-N 3.07Å; T87-G89 VanDerWaalsContact O-N 3.1Å; G89-D91 PolarHBondContact O-N 3.01Å; G89-D91 VanDerWaalsContact O-N 3.07Å; G89-I92 PolarHBondContact O-N 2.81Å; G89-C93 PolarHBondContact O-N 2.84Å
90	G	64.5	Low	75.9	Confident	30 Å²	30	80 Å²	80	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	-49.2	-35.8	-174	0	0	0	0	0	115.2	T87 I92 C93 Q94	T87-G90 PolarHBondContact O-N 3.42Å; G90-I92 VanDerWaalsContact C-N 3.35Å; G90-I92 PolarHBondContact O-N 2.89Å; G90-C93 PolarHBondContact O-N 3.35Å; G90-Q94 VanDerWaalsContact O-CG 3.23Å; G90-Q94 WeakPolarHBondContact O-CG 3.47Å; G90-Q94 PolarHBondContact O-N 3.03Å
91	D	72.2	Confident	76	Confident	128 Å²	128	78.4 Å²	78.4	68%	0.684	42%	0.416	S	S	*	.	H	α-helix	trans	-65.3	-37.1	179	-59.6	-12.7	0	0	0	112.3	G89 Q94 Q95	G89-D91 PolarHBondContact O-N 3.01Å; G89-D91 VanDerWaalsContact O-N 3.07Å; D91-Q94 PolarHBondContact O-N 3.38Å; D91-Q95 PolarHBondContact O-N 2.91Å
92	I	76.4	Confident	76.2	Confident	128 Å²	128	75.3 Å²	75.3	66%	0.656	40%	0.403	S	S	*	.	H	α-helix	trans	-71.3	-40.5	176.9	-58.3	174.2	0	0	0	109.9	G89 G90 Q94 Q95 F96	G89-I92 PolarHBondContact O-N 2.81Å; G90-I92 VanDerWaalsContact C-N 3.35Å; G90-I92 PolarHBondContact O-N 2.89Å; I92-Q94 VanDerWaalsContact C-N 3.32Å; I92-Q94 PolarHBondContact O-N 3.24Å; I92-Q95 PolarHBondContact O-N 3.07Å; I92-F96 WeakPolarHBondContact O-CB 3.4Å; I92-F96 PolarHBondContact O-N 2.99Å
93	C	76.5	Confident	76.6	Confident	32 Å²	32	79 Å²	79	22%	0.216	42%	0.421	C	S	.	.	H	α-helix	trans	-62.4	-41.1	175.9	-67.1	0	0	0	0	111.5	G89 G90 F96 T97	G89-C93 PolarHBondContact O-N 2.84Å; G90-C93 PolarHBondContact O-N 3.35Å; C93-F96 PolarHBondContact O-N 2.83Å; C93-T97 WeakPolarHBondContact O-CB 3.2Å; C93-T97 PolarHBondContact O-N 2.92Å; C93-T97 PolarHBondContact O-OG1 2.84Å
94	Q	76.8	Confident	77	Confident	52 Å²	52	80.9 Å²	80.9	24%	0.243	42%	0.421	C	S	.	.	H	α-helix	trans	-66.4	-44	177.2	-70.6	169.2	25.8	0	0	111.9	A84 G90 D91 I92 F96 T97 R98 A123 H128	A84-Q94 HydrophobicContact CB-CG 4.2Å; G90-Q94 VanDerWaalsContact O-CG 3.23Å; G90-Q94 WeakPolarHBondContact O-CG 3.47Å; G90-Q94 PolarHBondContact O-N 3.03Å; D91-Q94 PolarHBondContact O-N 3.38Å; I92-Q94 VanDerWaalsContact C-N 3.32Å; I92-Q94 PolarHBondContact O-N 3.24Å; Q94-F96 VanDerWaalsContact C-N 3.31Å; Q94-F96 PolarHBondContact O-N 3.43Å; Q94-T97 PolarHBondContact O-N 3.48Å; Q94-R98 PolarHBondContact O-N 2.64Å; Q94-A123 HydrophobicContact CG-CB 4.34Å; Q94-H128 HydrophobicContact CG-CB 4.16Å
95	Q	80.9	Confident	77.4	Confident	118 Å²	118	84.1 Å²	84.1	55%	0.551	44%	0.436	S	S	*	.	H	α-helix	trans	-59.5	-44.8	175.3	-175.5	179.8	-20.9	0	0	111	D91 I92 R98 E99	D91-Q95 PolarHBondContact O-N 2.91Å; I92-Q95 PolarHBondContact O-N 3.07Å; Q95-R98 WeakPolarHBondContact O-CB 3.48Å; Q95-R98 PolarHBondContact O-N 3.49Å; Q95-E99 PolarHBondContact NE2-OE1 3.38Å; Q95-E99 WeakPolarHBondContact O-CG 3.27Å; Q95-E99 PolarHBondContact O-N 2.8Å
96	F	82.6	Confident	78.5	Confident	123 Å²	123	87.1 Å²	87.1	54%	0.539	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-41.8	178.2	-175.9	-105	0	0	0	112.7	I92 C93 Q94 R98 E99 I100	I92-F96 WeakPolarHBondContact O-CB 3.4Å; I92-F96 PolarHBondContact O-N 2.99Å; C93-F96 PolarHBondContact O-N 2.83Å; Q94-F96 VanDerWaalsContact C-N 3.31Å; Q94-F96 PolarHBondContact O-N 3.43Å; F96-R98 VanDerWaalsContact C-N 3.28Å; F96-R98 PolarHBondContact O-N 3.15Å; F96-E99 PolarHBondContact O-N 2.79Å; F96-I100 HydrophobicContact CD1-CG1 4.15Å; F96-I100 HydrophobicContact CE1-CD1 4.17Å; F96-I100 HydrophobicContact CE1-CG1 3.73Å; F96-I100 HydrophobicContact CE2-CD1 4.25Å; F96-I100 HydrophobicContact CE2-CG1 4.25Å; F96-I100 HydrophobicContact CZ-CD1 3.77Å; F96-I100 HydrophobicContact CZ-CG1 3.79Å; F96-I100 WeakPolarHBondContact O-CG1 3.49Å; F96-I100 PolarHBondContact O-N 2.82Å
97	T	84.1	Confident	79.9	Confident	6 Å²	6	83.3 Å²	83.3	4%	0.037	43%	0.428	C	S	.	.	H	α-helix	trans	-56.6	-44.4	174.8	-65.1	0	0	0	0	111	V82 A84 C93 Q94 I100 F101	V82-T97 HydrophobicContact CB-CG2 4.34Å; V82-T97 HydrophobicContact CG1-CG2 3.72Å; A84-T97 VanDerWaalsContact CA-OG1 3.25Å; A84-T97 WeakPolarHBondContact CA-OG1 3.45Å; A84-T97 HydrophobicContact CB-CG2 4.4Å; A84-T97 WeakPolarHBondContact CB-OG1 3.44Å; A84-T97 PolarHBondContact N-OG1 3.34Å; C93-T97 WeakPolarHBondContact O-CB 3.2Å; C93-T97 PolarHBondContact O-N 2.92Å; C93-T97 PolarHBondContact O-OG1 2.84Å; Q94-T97 PolarHBondContact O-N 3.48Å; T97-I100 PolarHBondContact O-N 3.26Å; T97-F101 PolarHBondContact O-N 3.4Å
98	R	82.9	Confident	81.5	Confident	152 Å²	152	78.7 Å²	78.7	57%	0.574	40%	0.4	S	S	*	.	H	α-helix	trans	-63.7	-44.7	175.5	-176.1	-178.1	176.4	-158.2	-0.2	112.5	Q94 Q95 F96 I100 F101 D102	Q94-R98 PolarHBondContact O-N 2.64Å; Q95-R98 WeakPolarHBondContact O-CB 3.48Å; Q95-R98 PolarHBondContact O-N 3.49Å; F96-R98 VanDerWaalsContact C-N 3.28Å; F96-R98 PolarHBondContact O-N 3.15Å; R98-I100 VanDerWaalsContact C-N 3.28Å; R98-I100 PolarHBondContact O-N 2.88Å; R98-F101 PolarHBondContact O-N 3.28Å; R98-D102 IonicContact NE-OD2 3.94Å; R98-D102 WeakPolarHBondContact O-CB 3.44Å; R98-D102 PolarHBondContact O-N 3.36Å
99	E	88.1	Confident	83.2	Confident	95 Å²	95	74.9 Å²	74.9	44%	0.444	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-38.7	177.6	-73.3	172.8	-169.4	0	0	111.8	Q95 F96 M103	Q95-E99 PolarHBondContact NE2-OE1 3.38Å; Q95-E99 WeakPolarHBondContact O-CG 3.27Å; Q95-E99 PolarHBondContact O-N 2.8Å; F96-E99 PolarHBondContact O-N 2.79Å; E99-M103 VanDerWaalsContact O-CB 3.29Å; E99-M103 WeakPolarHBondContact O-CB 3.36Å; E99-M103 PolarHBondContact O-N 2.87Å
100	I	89.1	Confident	84.8	Confident	42 Å²	42	80.9 Å²	80.9	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-66.5	-44.4	175.4	-69.2	-65.5	0	0	0	111.4	V82 F96 T97 R98 M103 Y104	V82-I100 HydrophobicContact CG1-CB 4.23Å; V82-I100 HydrophobicContact CG1-CG2 3.85Å; V82-I100 HydrophobicContact CG2-CG2 4.45Å; F96-I100 HydrophobicContact CD1-CG1 4.15Å; F96-I100 HydrophobicContact CE1-CD1 4.17Å; F96-I100 HydrophobicContact CE1-CG1 3.73Å; F96-I100 HydrophobicContact CE2-CD1 4.25Å; F96-I100 HydrophobicContact CE2-CG1 4.25Å; F96-I100 HydrophobicContact CZ-CD1 3.77Å; F96-I100 HydrophobicContact CZ-CG1 3.79Å; F96-I100 WeakPolarHBondContact O-CG1 3.49Å; F96-I100 PolarHBondContact O-N 2.82Å; T97-I100 PolarHBondContact O-N 3.26Å; R98-I100 VanDerWaalsContact C-N 3.28Å; R98-I100 PolarHBondContact O-N 2.88Å; I100-M103 HydrophobicContact CD1-CE 4.25Å; I100-M103 WeakPolarHBondContact O-CB 3.43Å; I100-M103 PolarHBondContact O-N 3.37Å; I100-Y104 HydrophobicContact CG2-CD2 3.74Å; I100-Y104 HydrophobicContact CG2-CE2 3.77Å; I100-Y104 VanDerWaalsContact O-CD2 3.26Å; I100-Y104 WeakPolarHBondContact O-CD2 3.48Å; I100-Y104 PolarHBondContact O-N 3.03Å
101	F	87.5	Confident	85.9	Confident	18 Å²	18	83.4 Å²	83.4	8%	0.079	39%	0.393	C	S	.	.	H	α-helix	trans	-59.9	-50.2	176	176.4	-87.1	0	0	0	111.6	T97 R98 M103 Y104 Q105 F115 L117 E130 F132	T97-F101 PolarHBondContact O-N 3.4Å; R98-F101 PolarHBondContact O-N 3.28Å; F101-M103 VanDerWaalsContact C-N 3.27Å; F101-M103 PolarHBondContact O-N 2.88Å; F101-Y104 PolarHBondContact O-N 3.01Å; F101-Q105 WeakPolarHBondContact O-CB 3.05Å; F101-Q105 PolarHBondContact O-N 3.19Å; F101-F115 HydrophobicContact CD2-CZ 4.43Å; F101-F115 HydrophobicContact CE1-CZ 4.36Å; F101-F115 HydrophobicContact CE2-CE1 4.2Å; F101-F115 AromaticContact CE2-CZ 3.66Å; F101-F115 HydrophobicContact CE2-CZ 3.66Å; F101-F115 AromaticContact CZ-CE1 3.81Å; F101-F115 HydrophobicContact CZ-CE1 3.81Å; F101-F115 AromaticContact CZ-CZ 3.6Å; F101-F115 HydrophobicContact CZ-CZ 3.6Å; F101-L117 HydrophobicContact CE2-CD1 3.76Å; F101-L117 HydrophobicContact CZ-CD1 3.82Å; F101-E130 WeakPolarHBondContact CB-OE2 3.25Å; F101-E130 HydrophobicContact CD2-CB 3.64Å; F101-E130 HydrophobicContact CD2-CG 4.39Å; F101-E130 WeakPolarHBondContact CD2-OE2 3.44Å; F101-E130 HydrophobicContact CE2-CB 4.04Å; F101-E130 HydrophobicContact CG-CB 4.35Å; F101-E130 WeakPolarHBondContact CG-OE2 3.47Å; F101-F132 AromaticContact CD2-CD1 3.58Å; F101-F132 HydrophobicContact CD2-CD1 3.58Å; F101-F132 AromaticContact CD2-CE1 3.77Å; F101-F132 HydrophobicContact CD2-CE1 3.77Å; F101-F132 HydrophobicContact CE2-CB 4.29Å; F101-F132 AromaticContact CE2-CD1 3.5Å; F101-F132 HydrophobicContact CE2-CD1 3.5Å; F101-F132 HydrophobicContact CE2-CE1 4.12Å; F101-F132 HydrophobicContact CE2-CG 4.2Å
102	D	89.3	Confident	86.8	Confident	56 Å²	56	84.8 Å²	84.8	30%	0.299	40%	0.395	S	S	.	.	H	α-helix	trans	-59.6	-39.3	178.2	-72.2	-18.8	0	0	0	110.9	R98 N106	R98-D102 IonicContact NE-OD2 3.94Å; R98-D102 WeakPolarHBondContact O-CB 3.44Å; R98-D102 PolarHBondContact O-N 3.36Å; D102-N106 WeakPolarHBondContact O-CB 3.42Å; D102-N106 PolarHBondContact O-N 2.92Å; D102-N106 PolarHBondContact O-ND2 2.9Å
103	M	92.4	Very high	87.4	Confident	94 Å²	94	82.1 Å²	82.1	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-61.4	-49.8	175.8	-177	-166.8	71.4	0	0	111.7	E99 I100 F101 N106 Y107	E99-M103 VanDerWaalsContact O-CB 3.29Å; E99-M103 WeakPolarHBondContact O-CB 3.36Å; E99-M103 PolarHBondContact O-N 2.87Å; I100-M103 HydrophobicContact CD1-CE 4.25Å; I100-M103 WeakPolarHBondContact O-CB 3.43Å; I100-M103 PolarHBondContact O-N 3.37Å; F101-M103 VanDerWaalsContact C-N 3.27Å; F101-M103 PolarHBondContact O-N 2.88Å; M103-N106 PolarHBondContact O-N 2.85Å; M103-Y107 WeakPolarHBondContact O-CB 3.3Å; M103-Y107 PolarHBondContact O-N 3.32Å
104	Y	91.2	Very high	87.9	Confident	101 Å²	101	84.1 Å²	84.1	40%	0.396	38%	0.383	S	S	.	.	H	α-helix	trans	-70.8	-33.5	-178.6	-81.8	-71.9	0	0	0	112.9	L80 I100 F101 Y107 S108 F132	L80-Y104 HydrophobicContact CD2-CD1 4.42Å; L80-Y104 HydrophobicContact CD2-CD2 3.69Å; L80-Y104 HydrophobicContact CD2-CE2 4.04Å; L80-Y104 HydrophobicContact CD2-CG 3.92Å; I100-Y104 HydrophobicContact CG2-CD2 3.74Å; I100-Y104 HydrophobicContact CG2-CE2 3.77Å; I100-Y104 VanDerWaalsContact O-CD2 3.26Å; I100-Y104 WeakPolarHBondContact O-CD2 3.48Å; I100-Y104 PolarHBondContact O-N 3.03Å; F101-Y104 PolarHBondContact O-N 3.01Å; Y104-Y107 PolarHBondContact O-N 2.95Å; Y104-S108 WeakPolarHBondContact O-CB 3.43Å; Y104-S108 PolarHBondContact O-N 3.33Å; Y104-F132 HydrophobicContact CG-CZ 4.32Å
105	Q	88.6	Confident	88.5	Confident	73 Å²	73	83.6 Å²	83.6	34%	0.341	38%	0.38	S	S	.	.	H	α-helix	trans	-58.8	-51.3	170.8	-173.7	179.5	50.9	0	0	110.4	F101 Y107 S108 C109 F115	F101-Q105 WeakPolarHBondContact O-CB 3.05Å; F101-Q105 PolarHBondContact O-N 3.19Å; Q105-Y107 VanDerWaalsContact C-N 3.33Å; Q105-Y107 PolarHBondContact O-N 3.08Å; Q105-S108 PolarHBondContact O-N 2.9Å; Q105-S108 PolarHBondContact O-OG 2.88Å; Q105-C109 PolarHBondContact O-N 2.96Å; Q105-C109 VanDerWaalsContact O-N 3.15Å; Q105-C109 PolarHBondContact O-SG 2.97Å; Q105-F115 HydrophobicContact CB-CD2 4.31Å; Q105-F115 HydrophobicContact CB-CE1 4.49Å; Q105-F115 HydrophobicContact CB-CE2 3.83Å; Q105-F115 HydrophobicContact CB-CZ 3.95Å; Q105-F115 HydrophobicContact CG-CD1 4.25Å; Q105-F115 HydrophobicContact CG-CD2 4.32Å; Q105-F115 HydrophobicContact CG-CE1 4.17Å; Q105-F115 HydrophobicContact CG-CE2 4.19Å; Q105-F115 HydrophobicContact CG-CG 4.33Å; Q105-F115 HydrophobicContact CG-CZ 4.13Å
106	N	92.8	Very high	88.9	Confident	105 Å²	105	83 Å²	83	56%	0.561	38%	0.377	S	S	*	.	H	α-helix	trans	-63.4	-38.3	177.6	-73.1	-49	0	0	0	112.7	D102 M103 C109 Y110	D102-N106 WeakPolarHBondContact O-CB 3.42Å; D102-N106 PolarHBondContact O-N 2.92Å; D102-N106 PolarHBondContact O-ND2 2.9Å; M103-N106 PolarHBondContact O-N 2.85Å; N106-C109 WeakPolarHBondContact O-CB 3.44Å; N106-C109 PolarHBondContact O-N 3Å; N106-Y110 PolarHBondContact O-N 3.2Å
107	Y	92	Very high	89.1	Confident	100 Å²	100	81.3 Å²	81.3	39%	0.392	37%	0.373	S	S	.	.	H	α-helix	trans	-65.1	-40.2	177.1	-176.1	-103.9	0	0	0	112.3	M103 Y104 Q105 C109 Y110 K111 W113	M103-Y107 WeakPolarHBondContact O-CB 3.3Å; M103-Y107 PolarHBondContact O-N 3.32Å; Y104-Y107 PolarHBondContact O-N 2.95Å; Q105-Y107 VanDerWaalsContact C-N 3.33Å; Q105-Y107 PolarHBondContact O-N 3.08Å; Y107-C109 VanDerWaalsContact C-N 3.34Å; Y107-C109 PolarHBondContact O-N 3.03Å; Y107-Y110 HydrophobicContact CD2-CD1 4.33Å; Y107-Y110 HydrophobicContact CE2-CD1 4.34Å; Y107-Y110 WeakPolarHBondContact O-CB 3.38Å; Y107-Y110 PolarHBondContact O-N 3.22Å; Y107-K111 HydrophobicContact CD1-CG 4.24Å; Y107-K111 HydrophobicContact CE1-CG 3.8Å; Y107-K111 HydrophobicContact CE2-CD 4.49Å; Y107-K111 HydrophobicContact CE2-CG 4.09Å; Y107-K111 VanDerWaalsContact CZ-CE 3.43Å; Y107-K111 WeakPolarHBondContact O-CG 3.26Å; Y107-K111 PolarHBondContact O-N 3.06Å; Y107-K111 WeakPolarHBondContact OH-CE 3.44Å; Y107-W113 HydrophobicContact CD1-CZ3 4.22Å; Y107-W113 HydrophobicContact CE1-CH2 4.05Å; Y107-W113 AromaticContact CE1-CZ3 3.89Å; Y107-W113 HydrophobicContact CE1-CZ3 3.89Å
108	S	90.9	Very high	89.1	Confident	2 Å²	2	85.1 Å²	85.1	1%	0.014	39%	0.393	C	S	.	.	H	α-helix	trans	-60.7	-44.3	174.9	74.5	0	0	0	0	111.2	Y104 Q105 Y110 K111 H112 W113 F115	Y104-S108 WeakPolarHBondContact O-CB 3.43Å; Y104-S108 PolarHBondContact O-N 3.33Å; Q105-S108 PolarHBondContact O-N 2.9Å; Q105-S108 PolarHBondContact O-OG 2.88Å; S108-Y110 PolarHBondContact O-N 3.37Å; S108-K111 CarbonylContact O-C 3.52Å; S108-K111 PolarHBondContact O-N 3.38Å; S108-H112 PolarHBondContact O-N 2.88Å; S108-W113 PolarHBondContact O-N 2.91Å; S108-F115 WeakPolarHBondContact OG-CB 3.49Å; S108-F115 WeakPolarHBondContact OG-CD2 3.46Å
109	C	88.4	Confident	89	Confident	79 Å²	79	81 Å²	81	53%	0.534	38%	0.382	S	S	.	.	H	α-helix	trans	-60.3	-46	173.8	-67.2	0	0	0	0	111.8	Q105 N106 Y107 K111 H112	Q105-C109 PolarHBondContact O-N 2.96Å; Q105-C109 VanDerWaalsContact O-N 3.15Å; Q105-C109 PolarHBondContact O-SG 2.97Å; N106-C109 WeakPolarHBondContact O-CB 3.44Å; N106-C109 PolarHBondContact O-N 3Å; Y107-C109 VanDerWaalsContact C-N 3.34Å; Y107-C109 PolarHBondContact O-N 3.03Å; C109-K111 VanDerWaalsContact C-N 3.3Å; C109-K111 PolarHBondContact O-N 3.05Å; C109-H112 PolarHBondContact O-N 2.75Å
110	Y	92.9	Very high	88.6	Confident	164 Å²	164	82.3 Å²	82.3	64%	0.643	38%	0.384	S	S	*	.	H	α-helix	trans	-59.1	-40.2	176.7	170.9	-106.4	0	0	0	112.4	N106 Y107 S108 H112	N106-Y110 PolarHBondContact O-N 3.2Å; Y107-Y110 HydrophobicContact CD2-CD1 4.33Å; Y107-Y110 HydrophobicContact CE2-CD1 4.34Å; Y107-Y110 WeakPolarHBondContact O-CB 3.38Å; Y107-Y110 PolarHBondContact O-N 3.22Å; S108-Y110 PolarHBondContact O-N 3.37Å; Y110-H112 PolarHBondContact O-N 3.29Å; Y110-H112 PolarHBondContact O-ND1 3.35Å; Y110-H112 VanDerWaalsContact O-ND1 3.07Å
111	K	89	Confident	87.9	Confident	84 Å²	84	82.9 Å²	82.9	37%	0.365	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	3	176	-65.7	-58.2	-171	-177.7	0	114.2	Y107 S108 C109 W113	Y107-K111 HydrophobicContact CD1-CG 4.24Å; Y107-K111 HydrophobicContact CE1-CG 3.8Å; Y107-K111 HydrophobicContact CE2-CD 4.49Å; Y107-K111 HydrophobicContact CE2-CG 4.09Å; Y107-K111 VanDerWaalsContact CZ-CE 3.43Å; Y107-K111 WeakPolarHBondContact O-CG 3.26Å; Y107-K111 PolarHBondContact O-N 3.06Å; Y107-K111 WeakPolarHBondContact OH-CE 3.44Å; S108-K111 CarbonylContact O-C 3.52Å; S108-K111 PolarHBondContact O-N 3.38Å; C109-K111 VanDerWaalsContact C-N 3.3Å; C109-K111 PolarHBondContact O-N 3.05Å; K111-W113 HydrophobicContact CB-CD2 3.69Å; K111-W113 HydrophobicContact CB-CE3 4.24Å; K111-W113 HydrophobicContact CB-CG 3.93Å; K111-W113 HydrophobicContact CB-CZ2 4.09Å; K111-W113 HydrophobicContact CG-CH2 4.49Å; K111-W113 HydrophobicContact CG-CZ2 4.23Å; K111-W113 VanDerWaalsContact O-CD1 3.22Å; K111-W113 PolarHBondContact O-N 3.5Å
112	H	89.9	Confident	86.8	Confident	157 Å²	157	85.2 Å²	85.2	73%	0.727	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	33.4	-177.2	-56.6	65	0	0	0	112.7	S108 C109 Y110	S108-H112 PolarHBondContact O-N 2.88Å; C109-H112 PolarHBondContact O-N 2.75Å; Y110-H112 PolarHBondContact O-N 3.29Å; Y110-H112 PolarHBondContact O-ND1 3.35Å; Y110-H112 VanDerWaalsContact O-ND1 3.07Å
113	W	90.7	Very high	85.5	Confident	71 Å²	71	84 Å²	84	27%	0.269	40%	0.404	S	S	.	.			trans	-86.5	150.3	173.9	-61.9	-12.7	0	0	0	110.1	Y107 S108 K111 C134 R135	Y107-W113 HydrophobicContact CD1-CZ3 4.22Å; Y107-W113 HydrophobicContact CE1-CH2 4.05Å; Y107-W113 AromaticContact CE1-CZ3 3.89Å; Y107-W113 HydrophobicContact CE1-CZ3 3.89Å; S108-W113 PolarHBondContact O-N 2.91Å; K111-W113 HydrophobicContact CB-CD2 3.69Å; K111-W113 HydrophobicContact CB-CE3 4.24Å; K111-W113 HydrophobicContact CB-CG 3.93Å; K111-W113 HydrophobicContact CB-CZ2 4.09Å; K111-W113 HydrophobicContact CG-CH2 4.49Å; K111-W113 HydrophobicContact CG-CZ2 4.23Å; K111-W113 VanDerWaalsContact O-CD1 3.22Å; K111-W113 PolarHBondContact O-N 3.5Å; W113-C134 VanDerWaalsContact CB-SG 3.58Å; W113-C134 VanDerWaalsContact CE3-SG 3.52Å; W113-R135 WeakPolarHBondContact CB-O 3.09Å
114	Q	86.9	Confident	83.8	Confident	74 Å²	74	86 Å²	86	35%	0.346	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.6	172.6	178.3	-179.5	-13.1	0	0	108.8	C134 R135 Y137	Q114-C134 CarbonylContact O-C 3.58Å; Q114-C134 WeakPolarHBondContact O-CA 2.93Å; Q114-R135 HydrophobicContact CB-CB 4.2Å; Q114-R135 PolarHBondContact N-O 3.36Å; Q114-R135 PolarHBondContact O-N 3.33Å; Q114-Y137 HydrophobicContact CB-CE2 4.11Å; Q114-Y137 PolarHBondContact OE1-OH 3.1Å
115	F	89.1	Confident	81.8	Confident	41 Å²	41	91.6 Å²	91.6	18%	0.18	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.3	175.5	-172.1	-80.4	0	0	0	109.7	F101 Q105 S108 F132	F101-F115 HydrophobicContact CD2-CZ 4.43Å; F101-F115 HydrophobicContact CE1-CZ 4.36Å; F101-F115 HydrophobicContact CE2-CE1 4.2Å; F101-F115 AromaticContact CE2-CZ 3.66Å; F101-F115 HydrophobicContact CE2-CZ 3.66Å; F101-F115 AromaticContact CZ-CE1 3.81Å; F101-F115 HydrophobicContact CZ-CE1 3.81Å; F101-F115 AromaticContact CZ-CZ 3.6Å; F101-F115 HydrophobicContact CZ-CZ 3.6Å; Q105-F115 HydrophobicContact CB-CD2 4.31Å; Q105-F115 HydrophobicContact CB-CE1 4.49Å; Q105-F115 HydrophobicContact CB-CE2 3.83Å; Q105-F115 HydrophobicContact CB-CZ 3.95Å; Q105-F115 HydrophobicContact CG-CD1 4.25Å; Q105-F115 HydrophobicContact CG-CD2 4.32Å; Q105-F115 HydrophobicContact CG-CE1 4.17Å; Q105-F115 HydrophobicContact CG-CE2 4.19Å; Q105-F115 HydrophobicContact CG-CG 4.33Å; Q105-F115 HydrophobicContact CG-CZ 4.13Å; S108-F115 WeakPolarHBondContact OG-CB 3.49Å; S108-F115 WeakPolarHBondContact OG-CD2 3.46Å; F115-F132 AromaticContact CD2-CD2 3.65Å; F115-F132 HydrophobicContact CD2-CD2 3.65Å; F115-F132 AromaticContact CD2-CE2 3.88Å; F115-F132 HydrophobicContact CD2-CE2 3.88Å; F115-F132 HydrophobicContact CD2-CG 4.32Å; F115-F132 HydrophobicContact CE1-CB 3.79Å; F115-F132 HydrophobicContact CE1-CD2 4.33Å; F115-F132 HydrophobicContact CE1-CG 4.05Å; F115-F132 HydrophobicContact CE2-CB 4.06Å; F115-F132 AromaticContact CE2-CD1 3.94Å; F115-F132 HydrophobicContact CE2-CD1 3.94Å; F115-F132 AromaticContact CE2-CD2 3.06Å; F115-F132 HydrophobicContact CE2-CD2 3.06Å; F115-F132 HydrophobicContact CE2-CE1 4.04Å; F115-F132 AromaticContact CE2-CE2 3.22Å; F115-F132 HydrophobicContact CE2-CE2 3.22Å; F115-F132 AromaticContact CE2-CG 3.43Å; F115-F132 HydrophobicContact CE2-CG 3.43Å; F115-F132 VanDerWaalsContact CE2-CG 3.43Å; F115-F132 AromaticContact CE2-CZ 3.68Å; F115-F132 HydrophobicContact CE2-CZ 3.68Å; F115-F132 HydrophobicContact CZ-CB 3.51Å; F115-F132 AromaticContact CZ-CD1 3.65Å; F115-F132 HydrophobicContact CZ-CD1 3.65Å; F115-F132 AromaticContact CZ-CD2 3.45Å; F115-F132 HydrophobicContact CZ-CD2 3.45Å; F115-F132 VanDerWaalsContact CZ-CD2 3.45Å; F115-F132 HydrophobicContact CZ-CE1 4.11Å; F115-F132 AromaticContact CZ-CE2 3.96Å; F115-F132 HydrophobicContact CZ-CE2 3.96Å; F115-F132 AromaticContact CZ-CG 3.25Å; F115-F132 HydrophobicContact CZ-CG 3.25Å; F115-F132 HydrophobicContact CZ-CZ 4.22Å
116	E	88.6	Confident	80	Confident	106 Å²	106	90 Å²	90	50%	0.495	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	115.9	178.5	-175.3	175.3	176.2	0	0	109.4	L118 F132 A133	E116-L118 HydrophobicContact CG-CD2 4.2Å; E116-L118 PolarHBondContact O-N 2.95Å; E116-F132 CarbonylContact O-C 3.48Å; E116-F132 VanDerWaalsContact O-CA 3.3Å; E116-F132 WeakPolarHBondContact O-CA 3.29Å; E116-F132 WeakPolarHBondContact O-CB 3.48Å; E116-A133 PolarHBondContact N-O 2.93Å; E116-A133 PolarHBondContact O-N 3.47Å
117	L	85.8	Confident	77.9	Confident	87 Å²	87	91.2 Å²	91.2	46%	0.455	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.6	173.3	-178.2	69.6	0	0	0	108.8	F101 E131 F132	F101-L117 HydrophobicContact CE2-CD1 3.76Å; F101-L117 HydrophobicContact CZ-CD1 3.82Å; L117-E131 WeakPolarHBondContact CD1-O 3.25Å; L117-F132 HydrophobicContact CD1-CB 4.44Å
118	L	85.1	Confident	76.2	Confident	86 Å²	86	87.2 Å²	87.2	45%	0.45	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-44.5	-178	-65	-177.8	0	0	0	111.9	I79 E116 E131 A133	I79-L118 HydrophobicContact CD1-CD1 4.44Å; I79-L118 HydrophobicContact CG2-CD1 4.31Å; E116-L118 HydrophobicContact CG-CD2 4.2Å; E116-L118 PolarHBondContact O-N 2.95Å; L118-E131 PolarHBondContact N-O 2.9Å; L118-A133 HydrophobicContact CD1-CB 3.86Å; L118-A133 HydrophobicContact CD2-CB 4.32Å; L118-A133 HydrophobicContact CG-CB 4.04Å
119	N	80.6	Confident	74.5	Confident	66 Å²	66	88.5 Å²	88.5	35%	0.353	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.8	-176.1	-168.6	22.4	0	0	0	111	E131	N119-E131 HydrophobicContact CB-CB 3.91Å; N119-E131 HydrophobicContact CB-CG 4.21Å; N119-E131 PolarHBondContact N-O 3Å; N119-E131 VanDerWaalsContact N-O 3.08Å; N119-E131 PolarHBondContact ND2-OE1 3.3Å; N119-E131 PolarHBondContact O-N 3Å
120	Y	79.8	Confident	73.1	Confident	123 Å²	123	85.1 Å²	85.1	48%	0.482	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	118.2	178.2	177.9	-91.1	0	0	0	109.2	P122 H128 E130	Y120-P122 HydrophobicContact CE1-CB 4.11Å; Y120-H128 AromaticContact CE2-CE1 3.98Å; Y120-H128 AromaticContact CZ-CE1 3.97Å; Y120-E130 HydrophobicContact CD2-CG 3.81Å; Y120-E130 HydrophobicContact CE2-CG 3.98Å; Y120-E130 VanDerWaalsContact CE2-OE1 3.25Å; Y120-E130 WeakPolarHBondContact CE2-OE1 3.49Å
121	T	74.9	Confident	71.5	Confident	53 Å²	53	79.9 Å²	79.9	33%	0.325	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.9	177	-57.8	0	0	0	0	110.3	I129	T121-I129 PolarHBondContact N-O 3.42Å; T121-I129 PolarHBondContact O-N 3.4Å
122	P	64.7	Low	70.2	Confident	67 Å²	67	76.1 Å²	76.1	44%	0.435	37%	0.372	S	S	.	.			trans	-71.8	154.8	178.5	28.6	-32.8	0	0	0	112.4	Y120 D124	Y120-P122 HydrophobicContact CE1-CB 4.11Å; P122-D124 VanDerWaalsContact C-N 3.3Å; P122-D124 PolarHBondContact O-N 2.97Å
123	A	61.5	Low	68.8	Low	32 Å²	32	69.6 Å²	69.6	26%	0.264	35%	0.345	S	S	.	.	S	Bend	trans	-79	50.6	-169.8	0	0	0	0	0	115.5	Q94 H128	Q94-A123 HydrophobicContact CG-CB 4.34Å; A123-H128 HydrophobicContact CB-CB 4.23Å
124	D	55.4	Low	67.3	Low	136 Å²	136	67 Å²	67	73%	0.727	34%	0.338	S	S	*	.	S	Bend	trans	-77.7	-20.6	176.1	-78.6	-23.3	0	0	0	113.3	P122	P122-D124 VanDerWaalsContact C-N 3.3Å; P122-D124 PolarHBondContact O-N 2.97Å
125	Y	50.8	Low	66	Low	217 Å²	217	70 Å²	70	85%	0.851	35%	0.346	S	S	*	.	S	Bend	trans	-129.2	28.8	-173	-71.2	-83.3	0	0	0	114.2	R127	Y125-R127 VanDerWaalsContact C-N 3.29Å; Y125-R127 PolarHBondContact O-N 2.95Å
126	G	50.1	Low	64.6	Low	41 Å²	41	74.7 Å²	74.7	42%	0.423	36%	0.362	S	S	.	.	S	Bend	trans	70.9	21.3	177.6	0	0	0	0	0	114.4
127	R	48.5	Very low	62.8	Low	129 Å²	129	80.5 Å²	80.5	49%	0.487	38%	0.381	S	S	.	.			trans	-132.6	120.7	167.4	-74.3	-167.6	-76.1	-158.7	5.2	108.7	R86 Y125	R86-R127 VanDerWaalsContact NH2-CD 3.26Å; R86-R127 VanDerWaalsContact NH2-NE 3.16Å; Y125-R127 VanDerWaalsContact C-N 3.29Å; Y125-R127 PolarHBondContact O-N 2.95Å
128	H	55.5	Low	61.7	Low	17 Å²	17	80.2 Å²	80.2	8%	0.079	38%	0.378	C	S	.	.			trans	-106.4	119.1	166.5	-165	77.1	0	0	0	106.2	T83 A84 Q94 Y120 A123 E130	T83-H128 WeakPolarHBondContact CA-O 3.4Å; A84-H128 HydrophobicContact CB-CB 3.82Å; A84-H128 PolarHBondContact N-O 3.44Å; Q94-H128 HydrophobicContact CG-CB 4.16Å; Y120-H128 AromaticContact CE2-CE1 3.98Å; Y120-H128 AromaticContact CZ-CE1 3.97Å; A123-H128 HydrophobicContact CB-CB 4.23Å; H128-E130 IonicContact CD2-OE1 3.74Å; H128-E130 IonicContact CE1-OE1 3.62Å; H128-E130 IonicContact NE2-OE1 2.75Å; H128-E130 PolarHBondContact NE2-OE1 2.93Å; H128-E130 IonicContact NE2-OE2 3.91Å
129	I	56.8	Low	60.4	Low	29 Å²	29	79.9 Å²	79.9	15%	0.149	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.2	-179.2	-56.6	176.6	0	0	0	107.1	E81 T83 T121 E131	E81-I129 HydrophobicContact CG-CG2 4.22Å; T83-I129 HydrophobicContact CG2-CG1 4.14Å; T121-I129 PolarHBondContact N-O 3.42Å; T121-I129 PolarHBondContact O-N 3.4Å; I129-E131 HydrophobicContact CG2-CG 4.01Å
130	E	59.4	Low	59.3	Low	8 Å²	8	80.7 Å²	80.7	4%	0.037	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.1	173.4	-62.4	178.3	157.6	0	0	107.7	V82 F101 Y120 H128	V82-E130 PolarHBondContact N-O 3.47Å; V82-E130 PolarHBondContact O-N 2.94Å; F101-E130 WeakPolarHBondContact CB-OE2 3.25Å; F101-E130 HydrophobicContact CD2-CB 3.64Å; F101-E130 HydrophobicContact CD2-CG 4.39Å; F101-E130 WeakPolarHBondContact CD2-OE2 3.44Å; F101-E130 HydrophobicContact CE2-CB 4.04Å; F101-E130 HydrophobicContact CG-CB 4.35Å; F101-E130 WeakPolarHBondContact CG-OE2 3.47Å; Y120-E130 HydrophobicContact CD2-CG 3.81Å; Y120-E130 HydrophobicContact CE2-CG 3.98Å; Y120-E130 VanDerWaalsContact CE2-OE1 3.25Å; Y120-E130 WeakPolarHBondContact CE2-OE1 3.49Å; H128-E130 IonicContact CD2-OE1 3.74Å; H128-E130 IonicContact CE1-OE1 3.62Å; H128-E130 IonicContact NE2-OE1 2.75Å; H128-E130 PolarHBondContact NE2-OE1 2.93Å; H128-E130 IonicContact NE2-OE2 3.91Å
131	E	58	Low	58.1	Low	54 Å²	54	78.2 Å²	78.2	25%	0.252	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.2	177.7	-62.3	164	-143.5	0	0	109.4	E81 L117 L118 N119 I129	E81-E131 HydrophobicContact CB-CG 4.29Å; E81-E131 HydrophobicContact CG-CG 3.97Å; L117-E131 WeakPolarHBondContact CD1-O 3.25Å; L118-E131 PolarHBondContact N-O 2.9Å; N119-E131 HydrophobicContact CB-CB 3.91Å; N119-E131 HydrophobicContact CB-CG 4.21Å; N119-E131 PolarHBondContact N-O 3Å; N119-E131 VanDerWaalsContact N-O 3.08Å; N119-E131 PolarHBondContact ND2-OE1 3.3Å; N119-E131 PolarHBondContact O-N 3Å; I129-E131 HydrophobicContact CG2-CG 4.01Å
132	F	62.3	Low	57.1	Low	5 Å²	5	79.8 Å²	79.8	2%	0.022	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.6	174.4	65.5	-92.9	0	0	0	111.5	L80 V82 F101 Y104 F115 E116 L117 C134	L80-F132 HydrophobicContact CB-CD1 4.39Å; L80-F132 HydrophobicContact CB-CD2 4.31Å; L80-F132 HydrophobicContact CB-CE1 3.9Å; L80-F132 HydrophobicContact CB-CE2 3.78Å; L80-F132 HydrophobicContact CB-CZ 3.59Å; L80-F132 HydrophobicContact CD2-CE1 3.61Å; L80-F132 HydrophobicContact CD2-CE2 4.13Å; L80-F132 HydrophobicContact CD2-CZ 3.22Å; L80-F132 HydrophobicContact CG-CE1 4.13Å; L80-F132 HydrophobicContact CG-CZ 3.93Å; L80-F132 PolarHBondContact N-O 3.37Å; L80-F132 PolarHBondContact O-N 3.28Å; V82-F132 HydrophobicContact CG2-CE1 3.95Å; F101-F132 AromaticContact CD2-CD1 3.58Å; F101-F132 HydrophobicContact CD2-CD1 3.58Å; F101-F132 AromaticContact CD2-CE1 3.77Å; F101-F132 HydrophobicContact CD2-CE1 3.77Å; F101-F132 HydrophobicContact CE2-CB 4.29Å; F101-F132 AromaticContact CE2-CD1 3.5Å; F101-F132 HydrophobicContact CE2-CD1 3.5Å; F101-F132 HydrophobicContact CE2-CE1 4.12Å; F101-F132 HydrophobicContact CE2-CG 4.2Å; Y104-F132 HydrophobicContact CG-CZ 4.32Å; F115-F132 AromaticContact CD2-CD2 3.65Å; F115-F132 HydrophobicContact CD2-CD2 3.65Å; F115-F132 AromaticContact CD2-CE2 3.88Å; F115-F132 HydrophobicContact CD2-CE2 3.88Å; F115-F132 HydrophobicContact CD2-CG 4.32Å; F115-F132 HydrophobicContact CE1-CB 3.79Å; F115-F132 HydrophobicContact CE1-CD2 4.33Å; F115-F132 HydrophobicContact CE1-CG 4.05Å; F115-F132 HydrophobicContact CE2-CB 4.06Å; F115-F132 AromaticContact CE2-CD1 3.94Å; F115-F132 HydrophobicContact CE2-CD1 3.94Å; F115-F132 AromaticContact CE2-CD2 3.06Å; F115-F132 HydrophobicContact CE2-CD2 3.06Å; F115-F132 HydrophobicContact CE2-CE1 4.04Å; F115-F132 AromaticContact CE2-CE2 3.22Å; F115-F132 HydrophobicContact CE2-CE2 3.22Å; F115-F132 AromaticContact CE2-CG 3.43Å; F115-F132 HydrophobicContact CE2-CG 3.43Å; F115-F132 VanDerWaalsContact CE2-CG 3.43Å; F115-F132 AromaticContact CE2-CZ 3.68Å; F115-F132 HydrophobicContact CE2-CZ 3.68Å; F115-F132 HydrophobicContact CZ-CB 3.51Å; F115-F132 AromaticContact CZ-CD1 3.65Å; F115-F132 HydrophobicContact CZ-CD1 3.65Å; F115-F132 AromaticContact CZ-CD2 3.45Å; F115-F132 HydrophobicContact CZ-CD2 3.45Å; F115-F132 VanDerWaalsContact CZ-CD2 3.45Å; F115-F132 HydrophobicContact CZ-CE1 4.11Å; F115-F132 AromaticContact CZ-CE2 3.96Å; F115-F132 HydrophobicContact CZ-CE2 3.96Å; F115-F132 AromaticContact CZ-CG 3.25Å; F115-F132 HydrophobicContact CZ-CG 3.25Å; F115-F132 HydrophobicContact CZ-CZ 4.22Å; E116-F132 CarbonylContact O-C 3.48Å; E116-F132 VanDerWaalsContact O-CA 3.3Å; E116-F132 WeakPolarHBondContact O-CA 3.29Å; E116-F132 WeakPolarHBondContact O-CB 3.48Å; L117-F132 HydrophobicContact CD1-CB 4.44Å; F132-C134 HydrophobicContact CD2-CB 4.5Å; F132-C134 HydrophobicContact CE2-CB 4.41Å
133	A	60.3	Low	56.6	Low	19 Å²	19	80.6 Å²	80.6	16%	0.157	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.1	166.9	0	0	0	0	0	109.4	I79 E116 L118	I79-A133 HydrophobicContact CG1-CB 4.32Å; E116-A133 PolarHBondContact N-O 2.93Å; E116-A133 PolarHBondContact O-N 3.47Å; L118-A133 HydrophobicContact CD1-CB 3.86Å; L118-A133 HydrophobicContact CD2-CB 4.32Å; L118-A133 HydrophobicContact CG-CB 4.04Å
134	C	59.4	Low	56.2	Low	18 Å²	18	84.1 Å²	84.1	12%	0.122	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.7	169.2	-169	0	0	0	0	108.6	V78 W113 Q114 F132	V78-C134 PolarHBondContact N-O 2.95Å; V78-C134 PolarHBondContact O-N 3.45Å; W113-C134 VanDerWaalsContact CB-SG 3.58Å; W113-C134 VanDerWaalsContact CE3-SG 3.52Å; Q114-C134 CarbonylContact O-C 3.58Å; Q114-C134 WeakPolarHBondContact O-CA 2.93Å; F132-C134 HydrophobicContact CD2-CB 4.5Å; F132-C134 HydrophobicContact CE2-CB 4.41Å
135	R	60.3	Low	56.3	Low	135 Å²	135	80.1 Å²	80.1	51%	0.509	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.9	-179.5	166.9	160.9	-140.2	-150.7	-5.6	110.7	D77 W113 Q114	D77-R135 HydrophobicContact CB-CB 4.4Å; D77-R135 WeakPolarHBondContact OD1-CA 3.37Å; D77-R135 VanDerWaalsContact OD1-CG 3.27Å; D77-R135 WeakPolarHBondContact OD1-CG 3.47Å; D77-R135 WeakPolarHBondContact OD2-CD 3.38Å; D77-R135 WeakPolarHBondContact OD2-CG 3.23Å; D77-R135 IonicContact OD2-CZ 2.95Å; D77-R135 IonicContact OD2-NE 2.69Å; D77-R135 PolarHBondContact OD2-NE 3.07Å; W113-R135 WeakPolarHBondContact CB-O 3.09Å; Q114-R135 HydrophobicContact CB-CB 4.2Å; Q114-R135 PolarHBondContact N-O 3.36Å; Q114-R135 PolarHBondContact O-N 3.33Å
136	R	58.2	Low	56.7	Low	141 Å²	141	68.7 Å²	68.7	53%	0.532	31%	0.305	S	S	.	.			trans	-94.8	128.2	179.2	-176.4	167.5	-176.6	175.8	2.6	108.3	D77	D77-R136 PolarHBondContact OD1-N 3.39Å; D77-R136 VanDerWaalsContact OD1-N 3.07Å
137	Y	51.9	Low	57.3	Low	228 Å²	228	71.2 Å²	71.2	89%	0.894	30%	0.295	S	S	*	.			trans	-74.1	0	169.6	-72.6	-81	0	0	0	111.4	Q114	Q114-Y137 HydrophobicContact CB-CE2 4.11Å; Q114-Y137 PolarHBondContact OE1-OH 3.1Å

Retrieved 137 of 137 residues in 980.7 ms (Link to these results)

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