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GTP-binding nuclear protein

GTP-binding protein involved in nucleocytoplasmic transport. Required for the import of protein into the nucleus and also for RNA export. Involved in chromatin condensation and control of cell cycle.

AlphaFold DB , UniProt , Accession D7PER7, Species DROME (Drosophila melanogaster, Fruit fly), Gene ran-like, Length 217 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40	Very low	73.3	Confident	244 Å²	244	120.8 Å²	120.8	100%	1.202	61%	0.606	S	S	*	*				0	117.3	0	-71.7	171.1	-179.3	0	0	106.6
2	Q	41.7	Very low	75.3	Confident	164 Å²	164	113 Å²	113	77%	0.766	57%	0.566	S	S	*	*			trans	-71.7	145.7	175.2	-70.3	177.4	-10.7	0	0	108.6	Q4	Q2-Q4 PolarHBondContact O-N 3.2Å
3	P	44.1	Very low	77	Confident	124 Å²	124	104.3 Å²	104.3	81%	0.805	52%	0.522	S	S	*	.			trans	-65.1	113.5	179	25.9	-30.2	0	0	0	108.3	E5	P3-E5 PolarHBondContact O-N 3.02Å
4	Q	54.9	Low	78.3	Confident	189 Å²	189	96.9 Å²	96.9	88%	0.883	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-56.5	121.9	162.9	-139.9	166.7	4.5	0	0	105.6	Q2 E6	Q2-Q4 PolarHBondContact O-N 3.2Å; Q4-E6 PolarHBondContact O-N 3.34Å
5	E	65.1	Low	79.5	Confident	113 Å²	113	90.5 Å²	90.5	53%	0.528	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-54.4	116.5	179.6	-74.6	-173.9	149.9	0	0	108.8	P3 V7 V58	P3-E5 PolarHBondContact O-N 3.02Å; E5-V7 PolarHBondContact O-N 2.8Å; E5-V58 HydrophobicContact CB-CG2 3.65Å; E5-V58 HydrophobicContact CG-CG2 4.44Å; E5-V58 VanDerWaalsContact OE2-CG2 3.23Å; E5-V58 WeakPolarHBondContact OE2-CG2 3.33Å
6	E	84.6	Confident	80.4	Confident	173 Å²	173	84.8 Å²	84.8	81%	0.808	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-65.4	126.4	-174.7	-172.7	179.1	-173.2	0	0	109.6	Q4 K8	Q4-E6 PolarHBondContact O-N 3.34Å; E6-K8 PolarHBondContact O-N 3.25Å; E6-K8 VanDerWaalsContact O-N 3.12Å
7	V	91.7	Very high	81.1	Confident	52 Å²	52	79.8 Å²	79.8	32%	0.315	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	112.2	175.5	175.9	0	0	0	0	108.2	E5 A9 I10 L51 V58 R60	E5-V7 PolarHBondContact O-N 2.8Å; V7-A9 WeakPolarHBondContact CG1-O 3.26Å; V7-A9 PolarHBondContact O-N 2.57Å; V7-I10 HydrophobicContact CG1-CG1 3.91Å; V7-L51 HydrophobicContact CG2-CD2 3.98Å; V7-V58 HydrophobicContact CG2-CG1 4.45Å; V7-R60 HydrophobicContact CG1-CB 3.71Å
8	K	93.8	Very high	81.7	Confident	140 Å²	140	76.6 Å²	76.6	61%	0.609	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	-38.6	-175.5	-79.4	-165.4	166.1	-172.9	0	113.8	E6 R56 V58 F59	E6-K8 PolarHBondContact O-N 3.25Å; E6-K8 VanDerWaalsContact O-N 3.12Å; K8-R56 WeakPolarHBondContact CD-O 3.43Å; K8-R56 WeakPolarHBondContact CE-O 3.35Å; K8-R56 PolarHBondContact NZ-O 3.25Å; K8-V58 PolarHBondContact N-O 3.01Å; K8-F59 HydrophobicContact CB-CD1 4.44Å; K8-F59 HydrophobicContact CB-CE1 4.09Å; K8-F59 HydrophobicContact CB-CZ 4.47Å
9	A	95.8	Very high	82.2	Confident	32 Å²	32	73.4 Å²	73.4	26%	0.264	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.6	176.5	0	0	0	0	0	110.5	V7 F11 F59 R60	V7-A9 WeakPolarHBondContact CG1-O 3.26Å; V7-A9 PolarHBondContact O-N 2.57Å; A9-F11 HydrophobicContact CB-CE1 4.47Å; A9-F11 HydrophobicContact CB-CE2 3.97Å; A9-F11 HydrophobicContact CB-CZ 3.82Å; A9-F59 HydrophobicContact CB-CD1 3.98Å; A9-F59 HydrophobicContact CB-CE1 4.14Å; A9-R60 PolarHBondContact O-N 3.25Å
10	I	96.6	Very high	82.5	Confident	78 Å²	78	71.2 Å²	71.2	40%	0.4	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.3	176.8	-61	156	0	0	0	107.3	V7 R60 D62	V7-I10 HydrophobicContact CG1-CG1 3.91Å; I10-R60 CarbonylContact C-O 3.56Å; I10-R60 WeakPolarHBondContact CA-O 3.45Å; I10-R60 VanDerWaalsContact CD1-CZ 3.5Å; I10-R60 VanDerWaalsContact CD1-NH2 3.34Å; I10-R60 HydrophobicContact CG1-CB 4.07Å; I10-D62 VanDerWaalsContact CG2-OD2 3.28Å; I10-D62 WeakPolarHBondContact CG2-OD2 3.41Å
11	F	97.9	Very high	83	Confident	20 Å²	20	67.8 Å²	67.8	9%	0.088	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.3	177.6	-58.7	-72	0	0	0	111.4	A9 F59 R60 I61 D62 Q84 L165 L168 V169	A9-F11 HydrophobicContact CB-CE1 4.47Å; A9-F11 HydrophobicContact CB-CE2 3.97Å; A9-F11 HydrophobicContact CB-CZ 3.82Å; F11-F59 AromaticContact CE2-CD1 3.77Å; F11-F59 HydrophobicContact CE2-CD1 3.77Å; F11-F59 HydrophobicContact CE2-CE1 4.36Å; F11-R60 PolarHBondContact N-O 2.87Å; F11-I61 HydrophobicContact CB-CG1 4.48Å; F11-I61 CarbonylContact O-C 3.59Å; F11-I61 VanDerWaalsContact O-CA 3.31Å; F11-I61 WeakPolarHBondContact O-CA 3.33Å; F11-D62 PolarHBondContact O-N 3.49Å; F11-Q84 VanDerWaalsContact CA-OE1 3.25Å; F11-L165 HydrophobicContact CD2-CD2 4.14Å; F11-L165 HydrophobicContact CE2-CD2 4.21Å; F11-L168 HydrophobicContact CB-CD1 3.96Å; F11-L168 HydrophobicContact CD1-CB 4.17Å; F11-L168 HydrophobicContact CD1-CD1 3.96Å; F11-L168 HydrophobicContact CD1-CD2 4.15Å; F11-L168 HydrophobicContact CD1-CG 4.33Å; F11-L168 HydrophobicContact CD2-CD1 4.1Å; F11-L168 HydrophobicContact CE1-CB 3.87Å; F11-L168 HydrophobicContact CE1-CD1 4.49Å; F11-L168 HydrophobicContact CE1-CD2 4.43Å; F11-L168 HydrophobicContact CE2-CB 4.27Å; F11-L168 HydrophobicContact CG-CD1 3.74Å; F11-L168 HydrophobicContact CZ-CB 3.92Å; F11-V169 HydrophobicContact CE2-CG2 4.29Å; F11-V169 HydrophobicContact CZ-CG2 4.3Å
12	K	97.4	Very high	85.5	Confident	27 Å²	27	56.8 Å²	56.8	12%	0.117	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	122.9	168.8	-178.6	173.5	171	175.9	0	110.3	W64 Y79 V81 S83 Q84 C85	K12-W64 HydrophobicContact CD-CZ2 4.39Å; K12-W64 VanDerWaalsContact CE-CE2 3.5Å; K12-Y79 WeakPolarHBondContact CE-O 3.33Å; K12-Y79 PolarHBondContact NZ-O 3.39Å; K12-V81 PolarHBondContact NZ-O 2.9Å; K12-S83 WeakPolarHBondContact CE-OG 3.26Å; K12-Q84 PolarHBondContact O-N 2.66Å; K12-C85 PolarHBondContact O-N 3.33Å
13	L	97.4	Very high	88	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.7	171.9	-176	153.3	0	0	0	109.6	L15 I61 D62 V63 W64 C85 I87 F161 L164	L13-L15 HydrophobicContact CD2-CB 4.03Å; L13-I61 HydrophobicContact CB-CG2 3.34Å; L13-I61 HydrophobicContact CD1-CG2 3.94Å; L13-I61 HydrophobicContact CG-CG2 4.26Å; L13-D62 PolarHBondContact N-O 3.27Å; L13-V63 HydrophobicContact CB-CG2 4.44Å; L13-V63 HydrophobicContact CD2-CG1 3.9Å; L13-V63 HydrophobicContact CD2-CG2 4.29Å; L13-V63 WeakPolarHBondContact O-CA 3.4Å; L13-W64 PolarHBondContact O-N 3.09Å; L13-C85 WeakPolarHBondContact CA-O 3.23Å; L13-C85 VanDerWaalsContact CB-SG 3.59Å; L13-I87 HydrophobicContact CD1-CD1 3.89Å; L13-I87 HydrophobicContact CD1-CG1 4.1Å; L13-I87 HydrophobicContact CD2-CB 4.49Å; L13-I87 HydrophobicContact CD2-CD1 4.23Å; L13-I87 HydrophobicContact CD2-CG1 4.28Å; L13-F161 HydrophobicContact CD1-CD1 4.18Å; L13-F161 HydrophobicContact CD1-CE1 4.06Å; L13-L164 HydrophobicContact CD1-CD1 3.52Å; L13-L164 HydrophobicContact CG-CD1 4.47Å
14	I	95.8	Very high	90.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.7	169.4	-168.1	77.9	0	0	0	110.2	I16 W64 T66 F80 C85 A86 I87 L108	I14-I16 HydrophobicContact CG1-CG2 3.55Å; I14-W64 HydrophobicContact CD1-CB 3.62Å; I14-T66 HydrophobicContact CD1-CG2 3.49Å; I14-T66 VanDerWaalsContact CD1-CG2 3.49Å; I14-T66 HydrophobicContact CG1-CG2 4.17Å; I14-F80 HydrophobicContact CD1-CD1 4.11Å; I14-F80 HydrophobicContact CG1-CD1 3.82Å; I14-F80 HydrophobicContact CG1-CE1 4.12Å; I14-C85 PolarHBondContact N-O 3.17Å; I14-C85 VanDerWaalsContact N-O 3.13Å; I14-A86 HydrophobicContact CG2-CB 3.53Å; I14-A86 VanDerWaalsContact O-CA 3.29Å; I14-A86 WeakPolarHBondContact O-CA 3.38Å; I14-I87 PolarHBondContact O-N 2.74Å; I14-L108 HydrophobicContact CG2-CD1 3.67Å
15	L	95.5	Very high	91.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107.3	178.8	176.7	60.3	0	0	0	109.2	L13 K23 V27 V63 W64 T66 I87 M89	L13-L15 HydrophobicContact CD2-CB 4.03Å; L15-K23 HydrophobicContact CD1-CB 4.37Å; L15-K23 HydrophobicContact CD1-CD 4.43Å; L15-K23 HydrophobicContact CD1-CG 4.21Å; L15-K23 HydrophobicContact CD2-CB 3.69Å; L15-K23 HydrophobicContact CD2-CG 4.4Å; L15-K23 WeakPolarHBondContact CD2-O 3.37Å; L15-K23 HydrophobicContact CG-CB 3.81Å; L15-K23 HydrophobicContact CG-CD 4.06Å; L15-K23 HydrophobicContact CG-CG 4.02Å; L15-V27 HydrophobicContact CD2-CG2 3.41Å; L15-V27 VanDerWaalsContact CD2-CG2 3.41Å; L15-V63 HydrophobicContact CB-CG1 4.05Å; L15-V63 HydrophobicContact CD2-CG1 4.28Å; L15-W64 PolarHBondContact N-O 2.96Å; L15-T66 PolarHBondContact O-N 3.37Å; L15-T66 PolarHBondContact O-OG1 3.07Å; L15-I87 HydrophobicContact CD1-CB 3.67Å; L15-I87 HydrophobicContact CD1-CG2 3.53Å; L15-M89 HydrophobicContact CD1-CE 4.33Å
16	I	94.2	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	163.4	-172.3	64.7	-178.9	0	0	0	112.3	I14 K23 T66 F80 I87 I88 M89 W104 L108	I14-I16 HydrophobicContact CG1-CG2 3.55Å; I16-K23 VanDerWaalsContact C-CD 3.42Å; I16-T66 HydrophobicContact CG2-CG2 4.31Å; I16-F80 HydrophobicContact CG2-CE1 3.69Å; I16-F80 HydrophobicContact CG2-CZ 4.24Å; I16-I87 PolarHBondContact N-O 2.83Å; I16-I88 HydrophobicContact CD1-CD1 4.24Å; I16-I88 HydrophobicContact CD1-CG1 3.93Å; I16-I88 HydrophobicContact CG1-CB 4.29Å; I16-I88 HydrophobicContact CG1-CG1 3.83Å; I16-I88 HydrophobicContact CG1-CG2 4.27Å; I16-I88 CarbonylContact O-C 3.55Å; I16-I88 WeakPolarHBondContact O-CA 3.41Å; I16-M89 PolarHBondContact O-N 3.2Å; I16-W104 HydrophobicContact CB-CD2 4.44Å; I16-W104 HydrophobicContact CB-CE3 3.63Å; I16-W104 HydrophobicContact CB-CZ3 3.77Å; I16-W104 HydrophobicContact CD1-CB 4.11Å; I16-W104 HydrophobicContact CD1-CE3 4.03Å; I16-W104 HydrophobicContact CG1-CB 4.49Å; I16-W104 HydrophobicContact CG1-CE3 4.08Å; I16-W104 HydrophobicContact CG2-CE3 4.39Å; I16-W104 HydrophobicContact CG2-CZ3 4.29Å; I16-L108 HydrophobicContact CD1-CB 4.06Å; I16-L108 HydrophobicContact CD1-CD2 4.22Å
17	G	93.1	Very high	93.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.			trans	140.1	165	-177.1	0	0	0	0	0	111.7	K23 G68 M89 W104	G17-K23 PolarHBondContact O-NZ 2.71Å; G17-G68 WeakPolarHBondContact O-CA 3.06Å; G17-M89 WeakPolarHBondContact CA-O 3.34Å; G17-W104 WeakPolarHBondContact O-CZ2 3.33Å
18	D	91.6	Very high	93.3	Very high	21 Å²	21	25.5 Å²	25.5	11%	0.112	14%	0.142	C	C	.	.			trans	-56.8	156.4	-176.7	-74.4	16	0	0	0	112.5	T21 K23 G68 T97 N100 W104	D18-T21 HydrophobicContact CB-CG2 3.92Å; D18-T21 WeakPolarHBondContact O-CB 3.42Å; D18-T21 WeakPolarHBondContact O-CG2 3.43Å; D18-T21 PolarHBondContact O-N 3.44Å; D18-T21 PolarHBondContact O-OG1 3.11Å; D18-K23 PolarHBondContact O-NZ 2.83Å; D18-G68 CarbonylContact C-O 3.58Å; D18-T97 HydrophobicContact CB-CG2 3.82Å; D18-T97 WeakPolarHBondContact OD2-CA 3.27Å; D18-N100 WeakPolarHBondContact OD1-CB 3.21Å; D18-N100 PolarHBondContact OD2-ND2 2.86Å; D18-W104 PolarHBondContact OD1-NE1 3.38Å
19	G	90.4	Very high	92.9	Very high	17 Å²	17	21.2 Å²	21.2	18%	0.175	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	144.3	173.5	0	0	0	0	0	111.6	T21 G68	G19-T21 PolarHBondContact O-N 3.45Å; G19-G68 PolarHBondContact N-O 2.75Å
20	G	89.3	Confident	92.2	Very high	28 Å²	28	22 Å²	22	29%	0.289	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	1.4	179	0	0	0	0	0	115.6	G22 Y39 K123	G20-G22 VanDerWaalsContact C-N 3.29Å; G20-G22 PolarHBondContact O-N 3.11Å; G20-Y39 PolarHBondContact N-OH 3.32Å; G20-K123 VanDerWaalsContact O-CE 3.28Å; G20-K123 WeakPolarHBondContact O-CE 3.49Å; G20-K123 PolarHBondContact O-NZ 3.36Å
21	T	92.3	Very high	91.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.118	C	C	.	.	S	Bend	trans	-70.9	-20.7	176.9	51.6	0	0	0	0	114	D18 G19 D91 T97 N122	D18-T21 HydrophobicContact CB-CG2 3.92Å; D18-T21 WeakPolarHBondContact O-CB 3.42Å; D18-T21 WeakPolarHBondContact O-CG2 3.43Å; D18-T21 PolarHBondContact O-N 3.44Å; D18-T21 PolarHBondContact O-OG1 3.11Å; G19-T21 PolarHBondContact O-N 3.45Å; T21-D91 HydrophobicContact CG2-CB 4.38Å; T21-T97 HydrophobicContact CG2-CG2 3.9Å; T21-N122 PolarHBondContact O-ND2 3.13Å
22	G	92.1	Very high	90.1	Very high	12 Å²	12	24.7 Å²	24.7	12%	0.124	14%	0.14	C	C	.	.	S	Bend	trans	104.8	22.4	176	0	0	0	0	0	115.7	G20 T25 L26	G20-G22 VanDerWaalsContact C-N 3.29Å; G20-G22 PolarHBondContact O-N 3.11Å; G22-T25 WeakPolarHBondContact O-CB 3.27Å; G22-T25 PolarHBondContact O-N 2.84Å; G22-L26 PolarHBondContact O-N 3.28Å
23	K	93.7	Very high	88.5	Confident	9 Å²	9	25.5 Å²	25.5	4%	0.039	16%	0.156	C	C	.	.	H	α-helix	trans	-55.5	-60.4	178.6	-61.1	-169.7	-49.7	-76.7	0	112.8	L15 I16 G17 D18 T25 L26 V27 D65 T66 M89	L15-K23 HydrophobicContact CD1-CB 4.37Å; L15-K23 HydrophobicContact CD1-CD 4.43Å; L15-K23 HydrophobicContact CD1-CG 4.21Å; L15-K23 HydrophobicContact CD2-CB 3.69Å; L15-K23 HydrophobicContact CD2-CG 4.4Å; L15-K23 WeakPolarHBondContact CD2-O 3.37Å; L15-K23 HydrophobicContact CG-CB 3.81Å; L15-K23 HydrophobicContact CG-CD 4.06Å; L15-K23 HydrophobicContact CG-CG 4.02Å; I16-K23 VanDerWaalsContact C-CD 3.42Å; G17-K23 PolarHBondContact O-NZ 2.71Å; D18-K23 PolarHBondContact O-NZ 2.83Å; K23-T25 PolarHBondContact O-N 2.82Å; K23-L26 WeakPolarHBondContact O-CB 3.5Å; K23-L26 PolarHBondContact O-N 3Å; K23-V27 PolarHBondContact O-N 3.43Å; K23-D65 VanDerWaalsContact CB-OD1 3.23Å; K23-D65 WeakPolarHBondContact CB-OD1 3.39Å; K23-T66 WeakPolarHBondContact CE-O 3.27Å; K23-T66 PolarHBondContact NZ-O 2.84Å; K23-M89 HydrophobicContact CG-CB 4.03Å; K23-M89 HydrophobicContact CG-SD 4.09Å; K23-M89 PolarHBondContact N-SD 2.83Å; K23-M89 VanDerWaalsContact N-SD 3.44Å
24	T	91.3	Very high	86.7	Confident	22 Å²	22	31 Å²	31	14%	0.135	18%	0.182	C	C	.	.	H	α-helix	trans	-56.1	-37.1	176	-42.7	0	0	0	0	112.6	V27 K28 T42 D65	T24-V27 PolarHBondContact O-N 3.39Å; T24-K28 HydrophobicContact CG2-CD 3.97Å; T24-K28 HydrophobicContact CG2-CG 4.44Å; T24-K28 WeakPolarHBondContact O-CB 3.23Å; T24-K28 WeakPolarHBondContact O-CG 3.39Å; T24-K28 PolarHBondContact O-N 2.89Å; T24-T42 PolarHBondContact OG1-OG1 2.63Å; T24-D65 WeakPolarHBondContact CA-OD2 3.27Å; T24-D65 WeakPolarHBondContact CB-OD2 3.43Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.28Å; T24-D65 PolarHBondContact OG1-OD2 2.97Å
25	T	91.4	Very high	84.7	Confident	40 Å²	40	34.4 Å²	34.4	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-41.1	176.3	-48.2	0	0	0	0	111.8	G22 K23 R29 F35 A151	G22-T25 WeakPolarHBondContact O-CB 3.27Å; G22-T25 PolarHBondContact O-N 2.84Å; K23-T25 PolarHBondContact O-N 2.82Å; T25-R29 WeakPolarHBondContact O-CB 3.31Å; T25-R29 PolarHBondContact O-N 3.03Å; T25-F35 HydrophobicContact CG2-CD2 3.61Å; T25-F35 HydrophobicContact CG2-CE2 3.66Å; T25-A151 HydrophobicContact CG2-CB 3.87Å
26	L	91.8	Very high	83.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-43.4	176.1	172.5	60.7	0	0	0	111.8	G22 K23 R29 H30 M89 M149 V157 F161	G22-L26 PolarHBondContact O-N 3.28Å; K23-L26 WeakPolarHBondContact O-CB 3.5Å; K23-L26 PolarHBondContact O-N 3Å; L26-R29 PolarHBondContact O-N 3.41Å; L26-H30 PolarHBondContact O-N 3.05Å; L26-H30 PolarHBondContact O-ND1 3.33Å; L26-M89 HydrophobicContact CB-CE 3.83Å; L26-M89 HydrophobicContact CD2-CE 3.39Å; L26-M89 HydrophobicContact CG-CE 4.23Å; L26-M149 HydrophobicContact CB-CE 4.34Å; L26-M149 HydrophobicContact CD1-CE 3.58Å; L26-M149 HydrophobicContact CD2-CE 4.04Å; L26-M149 HydrophobicContact CD2-SD 4.26Å; L26-M149 HydrophobicContact CG-CE 4.19Å; L26-V157 HydrophobicContact CD1-CB 3.92Å; L26-V157 HydrophobicContact CD1-CG1 4.35Å; L26-F161 HydrophobicContact CD1-CE2 4.15Å; L26-F161 HydrophobicContact CD2-CE2 4.31Å; L26-F161 HydrophobicContact CD2-CZ 4.36Å; L26-F161 HydrophobicContact CG-CE2 4.29Å; L26-F161 HydrophobicContact CG-CZ 4.4Å
27	V	90.8	Very high	81.8	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-51.9	179.7	-177.7	0	0	0	0	110.5	L15 K23 T24 R29 H30 L31 E48 V63 D65	L15-V27 HydrophobicContact CD2-CG2 3.41Å; L15-V27 VanDerWaalsContact CD2-CG2 3.41Å; K23-V27 PolarHBondContact O-N 3.43Å; T24-V27 PolarHBondContact O-N 3.39Å; V27-R29 VanDerWaalsContact C-N 3.26Å; V27-R29 PolarHBondContact O-N 2.95Å; V27-H30 PolarHBondContact O-N 3Å; V27-L31 HydrophobicContact CG1-CD1 4.07Å; V27-L31 PolarHBondContact O-N 3.31Å; V27-E48 HydrophobicContact CG1-CB 3.52Å; V27-E48 HydrophobicContact CG1-CG 3.63Å; V27-V63 HydrophobicContact CG2-CG1 3.71Å; V27-D65 HydrophobicContact CG2-CB 4.33Å
28	K	87.5	Confident	80.7	Confident	86 Å²	86	56 Å²	56	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-37.4	177.6	-71	-179.8	179.2	170.8	0	112.1	T24 H30 L31 T32	T24-K28 HydrophobicContact CG2-CD 3.97Å; T24-K28 HydrophobicContact CG2-CG 4.44Å; T24-K28 WeakPolarHBondContact O-CB 3.23Å; T24-K28 WeakPolarHBondContact O-CG 3.39Å; T24-K28 PolarHBondContact O-N 2.89Å; K28-H30 VanDerWaalsContact C-N 3.3Å; K28-H30 PolarHBondContact O-N 2.88Å; K28-L31 PolarHBondContact O-N 2.99Å; K28-T32 PolarHBondContact O-N 2.73Å; K28-T32 PolarHBondContact O-OG1 2.81Å
29	R	84.7	Confident	79.6	Confident	51 Å²	51	61.5 Å²	61.5	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-37.8	175.7	-175.1	63.4	175.9	-169.5	3.3	112.4	T25 L26 V27 G33 N154	T25-R29 WeakPolarHBondContact O-CB 3.31Å; T25-R29 PolarHBondContact O-N 3.03Å; L26-R29 PolarHBondContact O-N 3.41Å; V27-R29 VanDerWaalsContact C-N 3.26Å; V27-R29 PolarHBondContact O-N 2.95Å; R29-G33 VanDerWaalsContact CZ-O 3.23Å; R29-G33 PolarHBondContact NH1-O 3.11Å; R29-G33 VanDerWaalsContact O-CA 3.24Å; R29-G33 WeakPolarHBondContact O-CA 3.16Å; R29-G33 PolarHBondContact O-N 2.68Å; R29-G33 VanDerWaalsContact O-N 3.11Å; R29-N154 PolarHBondContact NE-OD1 3.12Å
30	H	81.9	Confident	78.8	Confident	47 Å²	47	66.3 Å²	66.3	22%	0.218	34%	0.339	C	S	.	.	H	α-helix	trans	-73.9	-34.2	175.1	-84.8	77.9	0	0	0	113.1	L26 V27 K28 L50 V157 F161	L26-H30 PolarHBondContact O-N 3.05Å; L26-H30 PolarHBondContact O-ND1 3.33Å; V27-H30 PolarHBondContact O-N 3Å; K28-H30 VanDerWaalsContact C-N 3.3Å; K28-H30 PolarHBondContact O-N 2.88Å; H30-L50 HydrophobicContact CB-CD1 3.99Å; H30-L50 HydrophobicContact CB-CD2 4.01Å; H30-V157 PolarHBondContact CE1-O 2.76Å; H30-F161 AromaticContact CE1-CD2 3.65Å; H30-F161 AromaticContact CE1-CE2 3.28Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.44Å; H30-F161 AromaticContact ND1-CE2 3.63Å; H30-F161 AromaticContact NE2-CD2 3.49Å; H30-F161 WeakPolarHBondContact NE2-CD2 3.21Å; H30-F161 AromaticContact NE2-CE2 3.58Å
31	L	79.1	Confident	78	Confident	68 Å²	68	67.5 Å²	67.5	36%	0.356	35%	0.346	S	S	.	.	H	α-helix	trans	-72.8	-51.6	-178.7	-72.9	167.3	0	0	0	112.9	V27 K28 E48 L50	V27-L31 HydrophobicContact CG1-CD1 4.07Å; V27-L31 PolarHBondContact O-N 3.31Å; K28-L31 PolarHBondContact O-N 2.99Å; L31-E48 HydrophobicContact CD1-CB 3.98Å; L31-E48 VanDerWaalsContact CD1-CD 3.41Å; L31-E48 HydrophobicContact CD1-CG 3.79Å; L31-E48 WeakPolarHBondContact CD1-OE2 3.41Å; L31-L50 HydrophobicContact CD2-CD2 3.45Å; L31-L50 VanDerWaalsContact CD2-CD2 3.45Å; L31-L50 HydrophobicContact CG-CD2 3.63Å
32	T	70.2	Confident	77.2	Confident	88 Å²	88	68.2 Å²	68.2	54%	0.54	35%	0.35	S	S	.	.	H	α-helix	trans	-110.6	-11.7	-168.8	66.8	0	0	0	0	113.2	K28 E34	K28-T32 PolarHBondContact O-N 2.73Å; K28-T32 PolarHBondContact O-OG1 2.81Å; T32-E34 PolarHBondContact O-N 3.3Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-E34 WeakPolarHBondContact OG1-CB 3.47Å; T32-E34 PolarHBondContact OG1-N 2.96Å
33	G	64.3	Low	76.5	Confident	44 Å²	44	75.2 Å²	75.2	45%	0.454	38%	0.384	S	S	.	.	S	Bend	trans	70.5	-5.7	-169.2	0	0	0	0	0	113.8	R29	R29-G33 VanDerWaalsContact CZ-O 3.23Å; R29-G33 PolarHBondContact NH1-O 3.11Å; R29-G33 VanDerWaalsContact O-CA 3.24Å; R29-G33 WeakPolarHBondContact O-CA 3.16Å; R29-G33 PolarHBondContact O-N 2.68Å; R29-G33 VanDerWaalsContact O-N 3.11Å
34	E	59.8	Low	75.8	Confident	116 Å²	116	76.3 Å²	76.3	54%	0.542	40%	0.397	S	S	.	.			trans	-88	150.3	-176.8	-61.3	-177.4	167	0	0	111.8	T32	T32-E34 PolarHBondContact O-N 3.3Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-E34 WeakPolarHBondContact OG1-CB 3.47Å; T32-E34 PolarHBondContact OG1-N 2.96Å
35	F	54.1	Low	75.5	Confident	70 Å²	70	77.3 Å²	77.3	31%	0.307	40%	0.403	S	S	.	.			trans	-113.6	125.8	170.1	171.9	-99.7	0	0	0	109.2	T25 M37 K152	T25-F35 HydrophobicContact CG2-CD2 3.61Å; T25-F35 HydrophobicContact CG2-CE2 3.66Å; F35-M37 HydrophobicContact CD1-CG 4.31Å; F35-M37 HydrophobicContact CE1-CB 4.43Å; F35-M37 HydrophobicContact CE1-CE 4.27Å; F35-M37 HydrophobicContact CE1-CG 3.46Å; F35-M37 VanDerWaalsContact CE1-CG 3.46Å; F35-M37 HydrophobicContact CZ-CG 4.17Å; F35-K152 HydrophobicContact CD1-CG 4.3Å; F35-K152 HydrophobicContact CD2-CB 4.32Å; F35-K152 HydrophobicContact CE1-CG 3.88Å; F35-K152 HydrophobicContact CE2-CB 3.91Å; F35-K152 HydrophobicContact CE2-CG 4.13Å; F35-K152 HydrophobicContact CZ-CB 4.05Å; F35-K152 HydrophobicContact CZ-CD 4.47Å; F35-K152 HydrophobicContact CZ-CG 3.81Å
36	K	64.8	Low	75.4	Confident	138 Å²	138	79 Å²	79	60%	0.6	41%	0.408	S	S	*	.			trans	-107.5	127.9	174.3	-63.9	-170.8	178.6	-173.1	0	109.5
37	M	62.9	Low	75.4	Confident	156 Å²	156	82.4 Å²	82.4	77%	0.768	43%	0.429	S	S	*	.			trans	-75.4	-21.9	177.9	-83	-162.3	-179.4	0	0	113.8	F35 Y39	F35-M37 HydrophobicContact CD1-CG 4.31Å; F35-M37 HydrophobicContact CE1-CB 4.43Å; F35-M37 HydrophobicContact CE1-CE 4.27Å; F35-M37 HydrophobicContact CE1-CG 3.46Å; F35-M37 VanDerWaalsContact CE1-CG 3.46Å; F35-M37 HydrophobicContact CZ-CG 4.17Å; M37-Y39 PolarHBondContact O-N 3.29Å
38	Q	71.1	Confident	75.5	Confident	161 Å²	161	85.2 Å²	85.2	75%	0.752	44%	0.442	S	S	*	.			trans	-71.4	127.3	-178.7	-70.7	175.3	-8.9	0	0	111.2
39	Y	68.3	Low	75.7	Confident	136 Å²	136	86.6 Å²	86.6	53%	0.533	45%	0.45	S	S	.	.			trans	-89.8	105.1	172.5	177	-109.2	0	0	0	110.1	G20 M37 A41	G20-Y39 PolarHBondContact N-OH 3.32Å; M37-Y39 PolarHBondContact O-N 3.29Å; Y39-A41 HydrophobicContact CE1-CB 4.15Å
40	N	72.6	Confident	76	Confident	119 Å²	119	84.5 Å²	84.5	64%	0.636	44%	0.443	S	S	*	.			trans	-104.8	120	167.5	-64.8	-12.4	0	0	0	107.7	T42	N40-T42 PolarHBondContact O-N 3.35Å
41	A	73.5	Confident	76.5	Confident	52 Å²	52	87.3 Å²	87.3	43%	0.43	46%	0.459	S	S	.	.			trans	-68.5	128	-179.7	0	0	0	0	0	110.5	Y39 L43	Y39-A41 HydrophobicContact CE1-CB 4.15Å; A41-L43 PolarHBondContact O-N 2.86Å
42	T	74.4	Confident	77	Confident	17 Å²	17	84.6 Å²	84.6	10%	0.104	44%	0.444	C	S	.	.			trans	-62	128.2	173.5	-41.2	0	0	0	0	110	T24 N40 E46 A67	T24-T42 PolarHBondContact OG1-OG1 2.63Å; N40-T42 PolarHBondContact O-N 3.35Å; T42-E46 HydrophobicContact CG2-CB 4.44Å; T42-E46 HydrophobicContact CG2-CG 3.97Å; T42-A67 VanDerWaalsContact O-CB 3.27Å; T42-A67 WeakPolarHBondContact O-CB 3.5Å
43	L	77.8	Confident	78.1	Confident	159 Å²	159	81.9 Å²	81.9	83%	0.832	43%	0.426	S	S	*	.			trans	-94.3	106.2	173.8	-63.6	178.8	0	0	0	108.9	A41 V45	A41-L43 PolarHBondContact O-N 2.86Å; L43-V45 PolarHBondContact O-N 2.85Å
44	G	78.6	Confident	79.4	Confident	31 Å²	31	80.2 Å²	80.2	32%	0.32	41%	0.407	S	S	.	.	S	Bend	trans	77.5	-112.3	-180	0	0	0	0	0	112.6	A67	G44-A67 PolarHBondContact O-N 3.07Å
45	V	86	Confident	81	Confident	43 Å²	43	77.5 Å²	77.5	26%	0.261	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.6	-179.1	65.8	0	0	0	0	110.7	L43 V47 W64 D65 T66 Y79	L43-V45 PolarHBondContact O-N 2.85Å; V45-V47 HydrophobicContact CG2-CG2 4.46Å; V45-W64 HydrophobicContact CG2-CB 4.02Å; V45-W64 HydrophobicContact CG2-CD2 4.48Å; V45-W64 HydrophobicContact CG2-CE3 3.95Å; V45-D65 WeakPolarHBondContact CA-O 3.31Å; V45-T66 HydrophobicContact CG2-CG2 4.41Å; V45-Y79 HydrophobicContact CB-CD1 4.12Å; V45-Y79 HydrophobicContact CB-CE1 4.01Å; V45-Y79 HydrophobicContact CB-CG 4.44Å; V45-Y79 HydrophobicContact CG1-CD1 3.73Å; V45-Y79 HydrophobicContact CG1-CE1 3.41Å; V45-Y79 VanDerWaalsContact CG1-CE1 3.41Å
46	E	89.2	Confident	82.9	Confident	75 Å²	75	78.8 Å²	78.8	35%	0.35	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135	168.1	-70.7	177.5	-173.6	0	0	108.2	T42 D65	T42-E46 HydrophobicContact CG2-CB 4.44Å; T42-E46 HydrophobicContact CG2-CG 3.97Å; E46-D65 PolarHBondContact N-O 3.33Å; E46-D65 PolarHBondContact O-N 2.85Å
47	V	91.7	Very high	84.1	Confident	72 Å²	72	73.5 Å²	73.5	44%	0.436	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122	179.5	-177.3	0	0	0	0	109.2	V45 V63 W64	V45-V47 HydrophobicContact CG2-CG2 4.46Å; V47-V63 WeakPolarHBondContact CA-O 3.41Å; V47-W64 HydrophobicContact CG2-CD2 3.81Å; V47-W64 HydrophobicContact CG2-CE3 4.28Å; V47-W64 HydrophobicContact CG2-CG 4Å; V47-W64 HydrophobicContact CG2-CZ2 4.35Å
48	E	92.4	Very high	85.6	Confident	61 Å²	61	66.6 Å²	66.6	29%	0.285	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.9	-176.7	-69.4	-70.3	-172.5	0	0	110.8	V27 L31 V63	V27-E48 HydrophobicContact CG1-CB 3.52Å; V27-E48 HydrophobicContact CG1-CG 3.63Å; L31-E48 HydrophobicContact CD1-CB 3.98Å; L31-E48 VanDerWaalsContact CD1-CD 3.41Å; L31-E48 HydrophobicContact CD1-CG 3.79Å; L31-E48 WeakPolarHBondContact CD1-OE2 3.41Å; E48-V63 PolarHBondContact N-O 2.88Å; E48-V63 PolarHBondContact O-N 2.98Å
49	Q	92.3	Very high	86.7	Confident	114 Å²	114	59.5 Å²	59.5	53%	0.533	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	112	-177.8	-62.7	-176.2	-7.9	0	0	110.2	R60	Q49-R60 HydrophobicContact CB-CG 4.47Å
50	L	91.3	Very high	88	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.5	177.1	-57.9	-173.2	0	0	0	110.2	H30 L31 F52 R60 I61 V63 F161	H30-L50 HydrophobicContact CB-CD1 3.99Å; H30-L50 HydrophobicContact CB-CD2 4.01Å; L31-L50 HydrophobicContact CD2-CD2 3.45Å; L31-L50 VanDerWaalsContact CD2-CD2 3.45Å; L31-L50 HydrophobicContact CG-CD2 3.63Å; L50-F52 HydrophobicContact CB-CD2 4.38Å; L50-F52 HydrophobicContact CB-CE2 3.52Å; L50-F52 HydrophobicContact CB-CZ 3.93Å; L50-F52 HydrophobicContact CD1-CE2 4.4Å; L50-F52 HydrophobicContact CD1-CZ 4.12Å; L50-R60 CarbonylContact O-C 3.56Å; L50-R60 WeakPolarHBondContact O-CA 3.36Å; L50-I61 PolarHBondContact N-O 3.16Å; L50-I61 PolarHBondContact O-N 2.74Å; L50-V63 HydrophobicContact CD1-CG2 3.61Å; L50-V63 HydrophobicContact CG-CG2 3.92Å; L50-F161 HydrophobicContact CD1-CD1 4.47Å; L50-F161 HydrophobicContact CD1-CE1 3.75Å; L50-F161 HydrophobicContact CD1-CZ 3.9Å
51	L	91.3	Very high	89.1	Confident	106 Å²	106	50 Å²	50	56%	0.555	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.4	174.5	-67.4	171.7	0	0	0	110.4	V7 V58 R60	V7-L51 HydrophobicContact CG2-CD2 3.98Å; L51-V58 HydrophobicContact CB-CG1 4.5Å; L51-V58 HydrophobicContact CD2-CG1 4.08Å; L51-R60 HydrophobicContact CD2-CB 3.86Å; L51-R60 HydrophobicContact CD2-CG 3.84Å
52	F	91.5	Very high	90.2	Very high	12 Å²	12	48.8 Å²	48.8	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111	178.3	-65	-86.1	0	0	0	109.5	L50 T54 V58 F59 I61 F161 L165 L176	L50-F52 HydrophobicContact CB-CD2 4.38Å; L50-F52 HydrophobicContact CB-CE2 3.52Å; L50-F52 HydrophobicContact CB-CZ 3.93Å; L50-F52 HydrophobicContact CD1-CE2 4.4Å; L50-F52 HydrophobicContact CD1-CZ 4.12Å; F52-T54 HydrophobicContact CB-CG2 4.44Å; F52-V58 WeakPolarHBondContact O-CA 3.5Å; F52-F59 PolarHBondContact N-O 3.49Å; F52-F59 PolarHBondContact O-N 2.84Å; F52-I61 HydrophobicContact CD2-CB 4.46Å; F52-I61 HydrophobicContact CD2-CD1 4.01Å; F52-I61 HydrophobicContact CD2-CG1 4.01Å; F52-I61 HydrophobicContact CE2-CB 3.96Å; F52-I61 HydrophobicContact CE2-CD1 3.64Å; F52-I61 HydrophobicContact CE2-CG1 3.84Å; F52-I61 HydrophobicContact CZ-CD1 4.38Å; F52-F161 HydrophobicContact CD1-CB 4.46Å; F52-F161 HydrophobicContact CE1-CB 3.59Å; F52-F161 HydrophobicContact CE1-CD1 4.37Å; F52-F161 HydrophobicContact CE1-CD2 4.44Å; F52-F161 AromaticContact CE1-CG 3.9Å; F52-F161 HydrophobicContact CE1-CG 3.9Å; F52-F161 HydrophobicContact CE2-CB 4.43Å; F52-F161 HydrophobicContact CE2-CD1 4.13Å; F52-F161 HydrophobicContact CE2-CG 4.45Å; F52-F161 HydrophobicContact CZ-CB 3.58Å; F52-F161 AromaticContact CZ-CD1 3.53Å; F52-F161 HydrophobicContact CZ-CD1 3.53Å; F52-F161 HydrophobicContact CZ-CD2 4.22Å; F52-F161 HydrophobicContact CZ-CE1 4.24Å; F52-F161 AromaticContact CZ-CG 3.5Å; F52-F161 HydrophobicContact CZ-CG 3.5Å; F52-L165 HydrophobicContact CB-CD1 3.76Å; F52-L165 HydrophobicContact CD1-CD1 4.21Å; F52-L165 HydrophobicContact CD2-CD1 4.12Å; F52-L165 HydrophobicContact CG-CD1 3.76Å; F52-L176 HydrophobicContact CB-CD2 4.08Å; F52-L176 HydrophobicContact CD1-CD1 4.49Å; F52-L176 HydrophobicContact CD1-CD2 3.86Å; F52-L176 HydrophobicContact CG-CD2 4.42Å
53	N	91.3	Very high	91.2	Very high	30 Å²	30	48 Å²	48	16%	0.16	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.7	170.9	-64.8	-42.3	0	0	0	108.7	V58 L176 V177 S179	N53-V58 VanDerWaalsContact OD1-CG2 3.26Å; N53-V58 WeakPolarHBondContact OD1-CG2 3.17Å; N53-L176 CarbonylContact O-C 3.59Å; N53-L176 WeakPolarHBondContact O-CA 3.27Å; N53-V177 HydrophobicContact CB-CG2 4.01Å; N53-V177 PolarHBondContact O-N 2.86Å; N53-S179 WeakPolarHBondContact ND2-CB 3.39Å; N53-S179 PolarHBondContact ND2-OG 2.83Å
54	T	92.9	Very high	92	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.055	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	165.2	-178	77.1	0	0	0	0	111.7	F52 R56 G57 F59 L174 Q175 L176	F52-T54 HydrophobicContact CB-CG2 4.44Å; T54-R56 PolarHBondContact O-N 2.99Å; T54-R56 PolarHBondContact OG1-N 3.03Å; T54-G57 WeakPolarHBondContact CB-O 3.11Å; T54-G57 PolarHBondContact N-O 3.07Å; T54-G57 PolarHBondContact O-N 3Å; T54-G57 PolarHBondContact OG1-N 3.46Å; T54-G57 PolarHBondContact OG1-O 3.42Å; T54-F59 HydrophobicContact CG2-CD2 3.81Å; T54-F59 HydrophobicContact CG2-CE2 4.32Å; T54-F59 WeakPolarHBondContact OG1-CE2 3.41Å; T54-L174 HydrophobicContact CG2-CD1 4.38Å; T54-L174 HydrophobicContact CG2-CD2 3.88Å; T54-L174 HydrophobicContact CG2-CG 4.18Å; T54-Q175 CarbonylContact C-O 3.58Å; T54-Q175 WeakPolarHBondContact CA-O 3.44Å; T54-Q175 VanDerWaalsContact CB-O 3.31Å; T54-Q175 WeakPolarHBondContact CB-O 3.48Å; T54-L176 HydrophobicContact CG2-CD2 4.15Å
55	N	92.8	Very high	92.6	Very high	59 Å²	59	42.2 Å²	42.2	32%	0.316	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	2	168.3	67.9	-23.2	0	0	0	114.2	S173 L174 Q175 V177	N55-S173 PolarHBondContact ND2-O 2.95Å; N55-S173 VanDerWaalsContact ND2-O 3.09Å; N55-L174 WeakPolarHBondContact OD1-CA 3.33Å; N55-Q175 PolarHBondContact N-O 3.4Å; N55-Q175 PolarHBondContact OD1-N 3.33Å; N55-Q175 PolarHBondContact OD1-O 2.95Å; N55-V177 HydrophobicContact CB-CG1 4.15Å
56	R	93.4	Very high	92.7	Very high	97 Å²	97	40.4 Å²	40.4	37%	0.366	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	5.4	174	-61.9	-62.4	177.8	-101	-4	112.8	K8 T54 F59 D171 S173	K8-R56 WeakPolarHBondContact CD-O 3.43Å; K8-R56 WeakPolarHBondContact CE-O 3.35Å; K8-R56 PolarHBondContact NZ-O 3.25Å; T54-R56 PolarHBondContact O-N 2.99Å; T54-R56 PolarHBondContact OG1-N 3.03Å; R56-F59 HydrophobicContact CB-CE2 4.02Å; R56-F59 HydrophobicContact CB-CZ 4.36Å; R56-D171 IonicContact CZ-OD2 3.85Å; R56-D171 IonicContact NE-OD2 2.98Å; R56-D171 PolarHBondContact NE-OD2 2.85Å; R56-D171 IonicContact NH2-OD2 3.2Å; R56-D171 PolarHBondContact NH2-OD2 3.39Å; R56-S173 PolarHBondContact NH2-OG 2.79Å
57	G	91.9	Very high	92.4	Very high	28 Å²	28	37.3 Å²	37.3	29%	0.289	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	108.5	-171.9	-176	0	0	0	0	0	112.5	T54	T54-G57 WeakPolarHBondContact CB-O 3.11Å; T54-G57 PolarHBondContact N-O 3.07Å; T54-G57 PolarHBondContact O-N 3Å; T54-G57 PolarHBondContact OG1-N 3.46Å; T54-G57 PolarHBondContact OG1-O 3.42Å
58	V	93.1	Very high	91.3	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.067	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.5	-176.3	-170.2	0	0	0	0	110.2	E5 V7 K8 L51 F52 N53	E5-V58 HydrophobicContact CB-CG2 3.65Å; E5-V58 HydrophobicContact CG-CG2 4.44Å; E5-V58 VanDerWaalsContact OE2-CG2 3.23Å; E5-V58 WeakPolarHBondContact OE2-CG2 3.33Å; V7-V58 HydrophobicContact CG2-CG1 4.45Å; K8-V58 PolarHBondContact N-O 3.01Å; L51-V58 HydrophobicContact CB-CG1 4.5Å; L51-V58 HydrophobicContact CD2-CG1 4.08Å; F52-V58 WeakPolarHBondContact O-CA 3.5Å; N53-V58 VanDerWaalsContact OD1-CG2 3.26Å; N53-V58 WeakPolarHBondContact OD1-CG2 3.17Å
59	F	94.9	Very high	90	Very high	12 Å²	12	36.8 Å²	36.8	5%	0.053	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.4	172	-66.3	-82.8	0	0	0	110.1	K8 A9 F11 F52 T54 R56 L165 V169 L174	K8-F59 HydrophobicContact CB-CD1 4.44Å; K8-F59 HydrophobicContact CB-CE1 4.09Å; K8-F59 HydrophobicContact CB-CZ 4.47Å; A9-F59 HydrophobicContact CB-CD1 3.98Å; A9-F59 HydrophobicContact CB-CE1 4.14Å; F11-F59 AromaticContact CE2-CD1 3.77Å; F11-F59 HydrophobicContact CE2-CD1 3.77Å; F11-F59 HydrophobicContact CE2-CE1 4.36Å; F52-F59 PolarHBondContact N-O 3.49Å; F52-F59 PolarHBondContact O-N 2.84Å; T54-F59 HydrophobicContact CG2-CD2 3.81Å; T54-F59 HydrophobicContact CG2-CE2 4.32Å; T54-F59 WeakPolarHBondContact OG1-CE2 3.41Å; R56-F59 HydrophobicContact CB-CE2 4.02Å; R56-F59 HydrophobicContact CB-CZ 4.36Å; F59-L165 HydrophobicContact CB-CD2 3.83Å; F59-L165 HydrophobicContact CG-CD2 4.21Å; F59-V169 HydrophobicContact CD1-CG2 4.15Å; F59-V169 HydrophobicContact CE1-CG2 3.59Å; F59-V169 HydrophobicContact CE2-CG2 4.23Å; F59-V169 HydrophobicContact CZ-CG1 4.16Å; F59-V169 HydrophobicContact CZ-CG2 3.63Å; F59-L174 HydrophobicContact CD2-CD1 4.48Å; F59-L174 HydrophobicContact CE2-CD1 4.02Å
60	R	94.8	Very high	88.4	Confident	54 Å²	54	33.4 Å²	33.4	20%	0.204	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.9	173.4	-166.4	176.1	84.2	-163.5	4.5	110	V7 A9 I10 F11 Q49 L50 L51 D62	V7-R60 HydrophobicContact CG1-CB 3.71Å; A9-R60 PolarHBondContact O-N 3.25Å; I10-R60 CarbonylContact C-O 3.56Å; I10-R60 WeakPolarHBondContact CA-O 3.45Å; I10-R60 VanDerWaalsContact CD1-CZ 3.5Å; I10-R60 VanDerWaalsContact CD1-NH2 3.34Å; I10-R60 HydrophobicContact CG1-CB 4.07Å; F11-R60 PolarHBondContact N-O 2.87Å; Q49-R60 HydrophobicContact CB-CG 4.47Å; L50-R60 CarbonylContact O-C 3.56Å; L50-R60 WeakPolarHBondContact O-CA 3.36Å; L51-R60 HydrophobicContact CD2-CB 3.86Å; L51-R60 HydrophobicContact CD2-CG 3.84Å; R60-D62 WeakPolarHBondContact CD-OD1 3.41Å; R60-D62 IonicContact CZ-OD1 2.88Å; R60-D62 IonicContact CZ-OD2 3.68Å; R60-D62 IonicContact NE-OD1 2.63Å; R60-D62 PolarHBondContact NE-OD1 3.29Å; R60-D62 IonicContact NE-OD2 2.72Å; R60-D62 IonicContact NH2-OD1 3.87Å; R60-D62 IonicContact NH2-OD2 3.49Å; R60-D62 PolarHBondContact NH2-OD2 3.04Å
61	I	96.4	Very high	86.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.2	167.3	-60.5	-178.6	0	0	0	107.8	F11 L13 L50 F52 V63 F161 L165	F11-I61 HydrophobicContact CB-CG1 4.48Å; F11-I61 CarbonylContact O-C 3.59Å; F11-I61 VanDerWaalsContact O-CA 3.31Å; F11-I61 WeakPolarHBondContact O-CA 3.33Å; L13-I61 HydrophobicContact CB-CG2 3.34Å; L13-I61 HydrophobicContact CD1-CG2 3.94Å; L13-I61 HydrophobicContact CG-CG2 4.26Å; L50-I61 PolarHBondContact N-O 3.16Å; L50-I61 PolarHBondContact O-N 2.74Å; F52-I61 HydrophobicContact CD2-CB 4.46Å; F52-I61 HydrophobicContact CD2-CD1 4.01Å; F52-I61 HydrophobicContact CD2-CG1 4.01Å; F52-I61 HydrophobicContact CE2-CB 3.96Å; F52-I61 HydrophobicContact CE2-CD1 3.64Å; F52-I61 HydrophobicContact CE2-CG1 3.84Å; F52-I61 HydrophobicContact CZ-CD1 4.38Å; I61-V63 HydrophobicContact CG2-CG2 3.78Å; I61-V63 PolarHBondContact O-N 3.48Å; I61-F161 HydrophobicContact CD1-CD1 4.07Å; I61-L165 HydrophobicContact CD1-CD1 4.43Å; I61-L165 HydrophobicContact CD1-CD2 3.96Å; I61-L165 HydrophobicContact CD1-CG 3.98Å; I61-L165 HydrophobicContact CG1-CD2 4.21Å
62	D	96.5	Very high	84.8	Confident	27 Å²	27	47.4 Å²	47.4	14%	0.144	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	101.2	171.3	-64.3	-9.5	0	0	0	106.7	I10 F11 L13 R60	I10-D62 VanDerWaalsContact CG2-OD2 3.28Å; I10-D62 WeakPolarHBondContact CG2-OD2 3.41Å; F11-D62 PolarHBondContact O-N 3.49Å; L13-D62 PolarHBondContact N-O 3.27Å; R60-D62 WeakPolarHBondContact CD-OD1 3.41Å; R60-D62 IonicContact CZ-OD1 2.88Å; R60-D62 IonicContact CZ-OD2 3.68Å; R60-D62 IonicContact NE-OD1 2.63Å; R60-D62 PolarHBondContact NE-OD1 3.29Å; R60-D62 IonicContact NE-OD2 2.72Å; R60-D62 IonicContact NH2-OD1 3.87Å; R60-D62 IonicContact NH2-OD2 3.49Å; R60-D62 PolarHBondContact NH2-OD2 3.04Å
63	V	95.8	Very high	83	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.7	-177.3	-179.3	0	0	0	0	109.6	L13 L15 V27 V47 E48 L50 I61 D65 F161	L13-V63 HydrophobicContact CB-CG2 4.44Å; L13-V63 HydrophobicContact CD2-CG1 3.9Å; L13-V63 HydrophobicContact CD2-CG2 4.29Å; L13-V63 WeakPolarHBondContact O-CA 3.4Å; L15-V63 HydrophobicContact CB-CG1 4.05Å; L15-V63 HydrophobicContact CD2-CG1 4.28Å; V27-V63 HydrophobicContact CG2-CG1 3.71Å; V47-V63 WeakPolarHBondContact CA-O 3.41Å; E48-V63 PolarHBondContact N-O 2.88Å; E48-V63 PolarHBondContact O-N 2.98Å; L50-V63 HydrophobicContact CD1-CG2 3.61Å; L50-V63 HydrophobicContact CG-CG2 3.92Å; I61-V63 HydrophobicContact CG2-CG2 3.78Å; I61-V63 PolarHBondContact O-N 3.48Å; V63-D65 PolarHBondContact O-N 3.12Å; V63-F161 HydrophobicContact CG2-CE1 4.18Å
64	W	94.4	Very high	81.2	Confident	68 Å²	68	50.9 Å²	50.9	26%	0.258	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	93	173.6	-69.9	52.8	0	0	0	107.8	K12 L13 I14 L15 V45 V47 T66 Y79	K12-W64 HydrophobicContact CD-CZ2 4.39Å; K12-W64 VanDerWaalsContact CE-CE2 3.5Å; L13-W64 PolarHBondContact O-N 3.09Å; I14-W64 HydrophobicContact CD1-CB 3.62Å; L15-W64 PolarHBondContact N-O 2.96Å; V45-W64 HydrophobicContact CG2-CB 4.02Å; V45-W64 HydrophobicContact CG2-CD2 4.48Å; V45-W64 HydrophobicContact CG2-CE3 3.95Å; V47-W64 HydrophobicContact CG2-CD2 3.81Å; V47-W64 HydrophobicContact CG2-CE3 4.28Å; V47-W64 HydrophobicContact CG2-CG 4Å; V47-W64 HydrophobicContact CG2-CZ2 4.35Å; W64-T66 PolarHBondContact O-N 3.03Å; W64-Y79 HydrophobicContact CE3-CD1 4.42Å; W64-Y79 HydrophobicContact CZ3-CD1 4.24Å
65	D	91.8	Very high	79.5	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.011	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	107.2	174.6	-177.3	34.9	0	0	0	109.5	K23 T24 V27 V45 E46 V63	K23-D65 VanDerWaalsContact CB-OD1 3.23Å; K23-D65 WeakPolarHBondContact CB-OD1 3.39Å; T24-D65 WeakPolarHBondContact CA-OD2 3.27Å; T24-D65 WeakPolarHBondContact CB-OD2 3.43Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.28Å; T24-D65 PolarHBondContact OG1-OD2 2.97Å; V27-D65 HydrophobicContact CG2-CB 4.33Å; V45-D65 WeakPolarHBondContact CA-O 3.31Å; E46-D65 PolarHBondContact N-O 3.33Å; E46-D65 PolarHBondContact O-N 2.85Å; V63-D65 PolarHBondContact O-N 3.12Å
66	T	87.3	Confident	78.4	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	152.8	179.8	74.7	0	0	0	0	110.9	I14 L15 I16 K23 V45 W64	I14-T66 HydrophobicContact CD1-CG2 3.49Å; I14-T66 VanDerWaalsContact CD1-CG2 3.49Å; I14-T66 HydrophobicContact CG1-CG2 4.17Å; L15-T66 PolarHBondContact O-N 3.37Å; L15-T66 PolarHBondContact O-OG1 3.07Å; I16-T66 HydrophobicContact CG2-CG2 4.31Å; K23-T66 WeakPolarHBondContact CE-O 3.27Å; K23-T66 PolarHBondContact NZ-O 2.84Å; V45-T66 HydrophobicContact CG2-CG2 4.41Å; W64-T66 PolarHBondContact O-N 3.03Å
67	A	82.1	Confident	77.4	Confident	11 Å²	11	51.7 Å²	51.7	9%	0.091	27%	0.27	C	S	.	.			trans	-49	151.6	155.5	0	0	0	0	0	109.8	T42 G44	T42-A67 VanDerWaalsContact O-CB 3.27Å; T42-A67 WeakPolarHBondContact O-CB 3.5Å; G44-A67 PolarHBondContact O-N 3.07Å
68	G	68.5	Low	77	Confident	14 Å²	14	52.7 Å²	52.7	14%	0.144	28%	0.281	C	S	.	.	S	Bend	trans	-113.4	14	170	0	0	0	0	0	112.6	G17 D18 G19 E70	G17-G68 WeakPolarHBondContact O-CA 3.06Å; D18-G68 CarbonylContact C-O 3.58Å; G19-G68 PolarHBondContact N-O 2.75Å; G68-E70 WeakPolarHBondContact CA-OE2 3.45Å; G68-E70 PolarHBondContact N-OE2 3.28Å
69	Q	65.6	Low	76.7	Confident	107 Å²	107	55 Å²	55	50%	0.5	29%	0.289	S	S	.	.			trans	-118.1	2.9	-172.4	-68.4	-67.2	-12	0	0	111.9	R71	Q69-R71 WeakPolarHBondContact O-CG 3.41Å; Q69-R71 PolarHBondContact O-N 3.46Å
70	E	59.6	Low	76.4	Confident	44 Å²	44	54.5 Å²	54.5	21%	0.206	29%	0.286	C	S	.	.			trans	-68.4	101	-173.7	67.7	-62.1	156.1	0	0	110.6	G68 Y72 R76 W104	G68-E70 WeakPolarHBondContact CA-OE2 3.45Å; G68-E70 PolarHBondContact N-OE2 3.28Å; E70-Y72 PolarHBondContact O-N 3.46Å; E70-R76 HydrophobicContact CG-CB 4.26Å; E70-R76 HydrophobicContact CG-CG 4.32Å; E70-R76 WeakPolarHBondContact OE1-CD 3.41Å; E70-R76 IonicContact OE1-CZ 3.96Å; E70-R76 IonicContact OE1-NE 2.91Å; E70-R76 IonicContact OE1-NH1 3.74Å; E70-R76 PolarHBondContact OE1-NH1 2.96Å; E70-W104 WeakPolarHBondContact OE1-CH2 3.48Å; E70-W104 WeakPolarHBondContact OE1-CZ3 3.35Å
71	R	55.9	Low	76.3	Confident	216 Å²	216	55.4 Å²	55.4	82%	0.815	30%	0.298	S	S	*	.			trans	-74	-10.3	177	-58.5	-175	-164.4	-167.8	3.9	112.6	Q69	Q69-R71 WeakPolarHBondContact O-CG 3.41Å; Q69-R71 PolarHBondContact O-N 3.46Å
72	Y	49.5	Very low	76.1	Confident	191 Å²	191	63.4 Å²	63.4	75%	0.749	34%	0.335	S	S	*	.			trans	-113.1	97.7	-174.2	-58.2	-71.7	0	0	0	110.7	E70 G74	E70-Y72 PolarHBondContact O-N 3.46Å; Y72-G74 PolarHBondContact O-N 2.98Å; Y72-G74 VanDerWaalsContact O-N 3.12Å
73	G	54.8	Low	76	Confident	47 Å²	47	62.4 Å²	62.4	49%	0.485	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-11.6	-171.8	0	0	0	0	0	116.7
74	G	53.9	Low	76.1	Confident	67 Å²	67	66.3 Å²	66.3	69%	0.691	35%	0.349	S	S	*	.	H	α-helix	trans	-77.1	-39.1	-175.8	0	0	0	0	0	115.2	Y72 R76	Y72-G74 PolarHBondContact O-N 2.98Å; Y72-G74 VanDerWaalsContact O-N 3.12Å; G74-R76 VanDerWaalsContact C-N 3.28Å; G74-R76 PolarHBondContact O-N 3.41Å
75	L	57.7	Low	76.2	Confident	132 Å²	132	63.1 Å²	63.1	69%	0.691	34%	0.336	S	S	*	.	H	α-helix	trans	-74.5	-22.5	177.2	-78.8	160.4	0	0	0	112.4	G78	L75-G78 PolarHBondContact O-N 3.23Å
76	R	67.7	Low	76.4	Confident	14 Å²	14	63 Å²	63	5%	0.053	34%	0.336	C	S	.	.	H	α-helix	trans	-69	-37.9	-176.2	177.6	172.9	157.5	157.3	-13.9	113.2	E70 G74 G78 Y79 F80 D107	E70-R76 HydrophobicContact CG-CB 4.26Å; E70-R76 HydrophobicContact CG-CG 4.32Å; E70-R76 WeakPolarHBondContact OE1-CD 3.41Å; E70-R76 IonicContact OE1-CZ 3.96Å; E70-R76 IonicContact OE1-NE 2.91Å; E70-R76 IonicContact OE1-NH1 3.74Å; E70-R76 PolarHBondContact OE1-NH1 2.96Å; G74-R76 VanDerWaalsContact C-N 3.28Å; G74-R76 PolarHBondContact O-N 3.41Å; R76-G78 VanDerWaalsContact C-N 3.27Å; R76-G78 PolarHBondContact O-N 3.49Å; R76-Y79 PolarHBondContact O-N 3.37Å; R76-F80 HydrophobicContact CG-CE1 4.06Å; R76-F80 HydrophobicContact CG-CE2 4.09Å; R76-F80 HydrophobicContact CG-CZ 3.55Å; R76-D107 IonicContact CZ-OD2 3.67Å; R76-D107 IonicContact NH2-OD2 2.7Å; R76-D107 PolarHBondContact NH2-OD2 3.47Å
77	D	73.1	Confident	76.8	Confident	36 Å²	36	62.8 Å²	62.8	19%	0.193	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-32.2	-179.7	-68.1	-15	0	0	0	111.9	Y79 F80 V81 R110 V111	D77-Y79 VanDerWaalsContact C-N 3.28Å; D77-Y79 PolarHBondContact O-N 3.22Å; D77-F80 PolarHBondContact O-N 3.28Å; D77-F80 VanDerWaalsContact O-N 3.14Å; D77-V81 PolarHBondContact O-N 2.88Å; D77-R110 IonicContact OD2-CZ 2.86Å; D77-R110 IonicContact OD2-NH1 2.76Å; D77-R110 IonicContact OD2-NH2 3.52Å; D77-R110 PolarHBondContact OD2-NH2 3.49Å; D77-V111 HydrophobicContact CB-CG2 4.16Å
78	G	83.3	Confident	77.4	Confident	50 Å²	50	62.3 Å²	62.3	52%	0.515	33%	0.33	S	S	.	.	H	α-helix	trans	-61.3	-34.1	177	0	0	0	0	0	113.3	L75 R76 F80	L75-G78 PolarHBondContact O-N 3.23Å; R76-G78 VanDerWaalsContact C-N 3.27Å; R76-G78 PolarHBondContact O-N 3.49Å; G78-F80 VanDerWaalsContact C-N 3.31Å; G78-F80 PolarHBondContact O-N 2.99Å
79	Y	87.1	Confident	78.7	Confident	60 Å²	60	61.7 Å²	61.7	24%	0.235	32%	0.324	C	S	.	.	H	α-helix	trans	-70.1	-29.9	177.6	-55.8	-44.5	0	0	0	112.5	K12 V45 W64 R76 D77	K12-Y79 WeakPolarHBondContact CE-O 3.33Å; K12-Y79 PolarHBondContact NZ-O 3.39Å; V45-Y79 HydrophobicContact CB-CD1 4.12Å; V45-Y79 HydrophobicContact CB-CE1 4.01Å; V45-Y79 HydrophobicContact CB-CG 4.44Å; V45-Y79 HydrophobicContact CG1-CD1 3.73Å; V45-Y79 HydrophobicContact CG1-CE1 3.41Å; V45-Y79 VanDerWaalsContact CG1-CE1 3.41Å; W64-Y79 HydrophobicContact CE3-CD1 4.42Å; W64-Y79 HydrophobicContact CZ3-CD1 4.24Å; R76-Y79 PolarHBondContact O-N 3.37Å; D77-Y79 VanDerWaalsContact C-N 3.28Å; D77-Y79 PolarHBondContact O-N 3.22Å
80	F	89.8	Confident	80	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-74.3	-31	-176.4	-61.2	-8.9	0	0	0	112.1	I14 I16 R76 D77 G78 Q82 S83 D107 L108 V111 C112	I14-F80 HydrophobicContact CD1-CD1 4.11Å; I14-F80 HydrophobicContact CG1-CD1 3.82Å; I14-F80 HydrophobicContact CG1-CE1 4.12Å; I16-F80 HydrophobicContact CG2-CE1 3.69Å; I16-F80 HydrophobicContact CG2-CZ 4.24Å; R76-F80 HydrophobicContact CG-CE1 4.06Å; R76-F80 HydrophobicContact CG-CE2 4.09Å; R76-F80 HydrophobicContact CG-CZ 3.55Å; D77-F80 PolarHBondContact O-N 3.28Å; D77-F80 VanDerWaalsContact O-N 3.14Å; G78-F80 VanDerWaalsContact C-N 3.31Å; G78-F80 PolarHBondContact O-N 2.99Å; F80-Q82 PolarHBondContact O-N 2.93Å; F80-S83 WeakPolarHBondContact O-CB 3.5Å; F80-S83 PolarHBondContact O-N 3.35Å; F80-S83 PolarHBondContact O-OG 3.08Å; F80-D107 HydrophobicContact CE2-CB 4.22Å; F80-L108 HydrophobicContact CG-CD1 4.41Å; F80-V111 HydrophobicContact CB-CB 3.89Å; F80-V111 HydrophobicContact CB-CG1 3.75Å; F80-V111 HydrophobicContact CB-CG2 4.27Å; F80-V111 HydrophobicContact CD2-CB 4.3Å; F80-V111 HydrophobicContact CD2-CG2 3.99Å; F80-C112 PolarHBondContact O-SG 2.9Å
81	V	90.9	Very high	81.6	Confident	74 Å²	74	55.4 Å²	55.4	45%	0.448	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	131.1	-176.2	175.5	0	0	0	0	111.7	K12 D77 S83 V111	K12-V81 PolarHBondContact NZ-O 2.9Å; D77-V81 PolarHBondContact O-N 2.88Å; V81-S83 PolarHBondContact O-N 3.04Å; V81-V111 HydrophobicContact CG2-CG1 4.09Å
82	Q	92.2	Very high	83.2	Confident	167 Å²	167	45.4 Å²	45.4	78%	0.78	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	13	-179.6	-63.2	170.8	-17.5	0	0	116	F80 Q84	F80-Q82 PolarHBondContact O-N 2.93Å; Q82-Q84 PolarHBondContact O-N 2.95Å
83	S	96.1	Very high	85	Confident	7 Å²	7	38.2 Å²	38.2	5%	0.049	24%	0.238	C	C	.	.			trans	-62	127.4	169.9	-57.4	0	0	0	0	110	K12 F80 V81	K12-S83 WeakPolarHBondContact CE-OG 3.26Å; F80-S83 WeakPolarHBondContact O-CB 3.5Å; F80-S83 PolarHBondContact O-N 3.35Å; F80-S83 PolarHBondContact O-OG 3.08Å; V81-S83 PolarHBondContact O-N 3.04Å
84	Q	97.2	Very high	86.6	Confident	82 Å²	82	38 Å²	38	38%	0.383	23%	0.23	S	C	.	.	S	Bend	trans	-91.8	-21.1	180	-68.6	162.3	-73.8	0	0	111.9	F11 K12 Q82 P116 L168	F11-Q84 VanDerWaalsContact CA-OE1 3.25Å; K12-Q84 PolarHBondContact O-N 2.66Å; Q82-Q84 PolarHBondContact O-N 2.95Å; Q84-P116 WeakPolarHBondContact O-CD 3.3Å; Q84-L168 HydrophobicContact CB-CD2 4.09Å
85	C	96.5	Very high	88.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	168	173.1	61.6	0	0	0	0	110.9	K12 L13 I14 P116 L164 L168	K12-C85 PolarHBondContact O-N 3.33Å; L13-C85 WeakPolarHBondContact CA-O 3.23Å; L13-C85 VanDerWaalsContact CB-SG 3.59Å; I14-C85 PolarHBondContact N-O 3.17Å; I14-C85 VanDerWaalsContact N-O 3.13Å; C85-P116 VanDerWaalsContact CA-O 3.31Å; C85-P116 WeakPolarHBondContact CA-O 3.37Å; C85-P116 HydrophobicContact CB-CB 4.47Å; C85-L164 HydrophobicContact CB-CD1 4.22Å; C85-L164 HydrophobicContact CB-CD2 3.87Å; C85-L164 HydrophobicContact CB-CG 4.43Å; C85-L168 HydrophobicContact CB-CD1 4.04Å; C85-L168 HydrophobicContact CB-CD2 4.33Å; C85-L168 HydrophobicContact CB-CG 4.47Å
86	A	95.9	Very high	89.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	152.8	177.1	0	0	0	0	0	113.9	I14 L108 I115 P116 I117 V118	I14-A86 HydrophobicContact CG2-CB 3.53Å; I14-A86 VanDerWaalsContact O-CA 3.29Å; I14-A86 WeakPolarHBondContact O-CA 3.38Å; A86-L108 HydrophobicContact CB-CD1 4.25Å; A86-L108 HydrophobicContact CB-CD2 3.35Å; A86-L108 HydrophobicContact CB-CG 4.43Å; A86-I115 HydrophobicContact CB-CD1 4.2Å; A86-P116 PolarHBondContact N-O 3.15Å; A86-I117 HydrophobicContact CB-CG1 4.26Å; A86-I117 WeakPolarHBondContact O-CA 3.44Å; A86-V118 PolarHBondContact O-N 2.82Å
87	I	96.3	Very high	90.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.2	164	-65.9	173.6	0	0	0	108.1	L13 I14 L15 I16 V118 C120 P160 F161 L164	L13-I87 HydrophobicContact CD1-CD1 3.89Å; L13-I87 HydrophobicContact CD1-CG1 4.1Å; L13-I87 HydrophobicContact CD2-CB 4.49Å; L13-I87 HydrophobicContact CD2-CD1 4.23Å; L13-I87 HydrophobicContact CD2-CG1 4.28Å; I14-I87 PolarHBondContact O-N 2.74Å; L15-I87 HydrophobicContact CD1-CB 3.67Å; L15-I87 HydrophobicContact CD1-CG2 3.53Å; I16-I87 PolarHBondContact N-O 2.83Å; I87-V118 CarbonylContact C-O 3.56Å; I87-V118 WeakPolarHBondContact CA-O 3.28Å; I87-V118 HydrophobicContact CG1-CB 4.49Å; I87-C120 HydrophobicContact CG2-CB 4.12Å; I87-P160 HydrophobicContact CD1-CB 3.77Å; I87-P160 HydrophobicContact CG1-CB 4.35Å; I87-F161 HydrophobicContact CD1-CE1 4.16Å; I87-F161 HydrophobicContact CD1-CZ 4.18Å; I87-L164 HydrophobicContact CD1-CD1 4.24Å; I87-L164 HydrophobicContact CG1-CD1 3.81Å
88	I	94.8	Very high	91.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.2	171.4	-47	-175	0	0	0	108.2	I16 V101 W104 H105 L108 I117 V118 I119 C120	I16-I88 HydrophobicContact CD1-CD1 4.24Å; I16-I88 HydrophobicContact CD1-CG1 3.93Å; I16-I88 HydrophobicContact CG1-CB 4.29Å; I16-I88 HydrophobicContact CG1-CG1 3.83Å; I16-I88 HydrophobicContact CG1-CG2 4.27Å; I16-I88 CarbonylContact O-C 3.55Å; I16-I88 WeakPolarHBondContact O-CA 3.41Å; I88-V101 HydrophobicContact CG2-CB 4.45Å; I88-V101 HydrophobicContact CG2-CG1 3.98Å; I88-V101 HydrophobicContact CG2-CG2 4.29Å; I88-W104 HydrophobicContact CD1-CB 4.44Å; I88-W104 HydrophobicContact CG2-CB 3.76Å; I88-W104 HydrophobicContact CG2-CG 4.31Å; I88-H105 HydrophobicContact CD1-CB 3.8Å; I88-L108 HydrophobicContact CD1-CD2 4.48Å; I88-I117 HydrophobicContact CD1-CG2 3.93Å; I88-I117 HydrophobicContact CG1-CG2 3.95Å; I88-V118 PolarHBondContact N-O 3.46Å; I88-I119 HydrophobicContact CB-CG1 4.41Å; I88-I119 CarbonylContact O-C 3.45Å; I88-I119 WeakPolarHBondContact O-CA 3.3Å; I88-C120 PolarHBondContact O-N 2.87Å
89	M	94.9	Very high	91.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	139.3	-176.3	-166.8	177.4	-71.2	0	0	112.1	L15 I16 G17 K23 L26 C120 N122 M149	L15-M89 HydrophobicContact CD1-CE 4.33Å; I16-M89 PolarHBondContact O-N 3.2Å; G17-M89 WeakPolarHBondContact CA-O 3.34Å; K23-M89 HydrophobicContact CG-CB 4.03Å; K23-M89 HydrophobicContact CG-SD 4.09Å; K23-M89 PolarHBondContact N-SD 2.83Å; K23-M89 VanDerWaalsContact N-SD 3.44Å; L26-M89 HydrophobicContact CB-CE 3.83Å; L26-M89 HydrophobicContact CD2-CE 3.39Å; L26-M89 HydrophobicContact CG-CE 4.23Å; M89-C120 WeakPolarHBondContact CA-O 3.49Å; M89-C120 HydrophobicContact CG-CB 4.37Å; M89-N122 HydrophobicContact CG-CB 3.99Å; M89-N122 HydrophobicContact SD-CB 3.87Å; M89-M149 HydrophobicContact CE-CE 4.27Å; M89-M149 HydrophobicContact CE-SD 4.32Å
90	F	93.8	Very high	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162.3	167.7	74	-85.8	0	0	0	110.5	V92 Y98 V101 I119 C120 G121 N122 W132 L146	F90-V92 HydrophobicContact CE2-CG1 4.06Å; F90-V92 HydrophobicContact CZ-CG1 4.5Å; F90-Y98 HydrophobicContact CD1-CD2 4.03Å; F90-Y98 AromaticContact CD2-CD2 3.87Å; F90-Y98 HydrophobicContact CD2-CD2 3.87Å; F90-Y98 HydrophobicContact CD2-CG 4.3Å; F90-Y98 AromaticContact CE1-CD2 3.79Å; F90-Y98 HydrophobicContact CE1-CD2 3.79Å; F90-Y98 HydrophobicContact CE1-CE2 4.19Å; F90-Y98 AromaticContact CE2-CD2 3.62Å; F90-Y98 HydrophobicContact CE2-CD2 3.62Å; F90-Y98 HydrophobicContact CE2-CE2 4.49Å; F90-Y98 HydrophobicContact CE2-CG 4.24Å; F90-Y98 HydrophobicContact CG-CD2 4.06Å; F90-Y98 AromaticContact CZ-CD2 3.58Å; F90-Y98 HydrophobicContact CZ-CD2 3.58Å; F90-Y98 HydrophobicContact CZ-CE2 4.06Å; F90-V101 HydrophobicContact CB-CG2 3.88Å; F90-V101 HydrophobicContact CD1-CG2 3.99Å; F90-V101 HydrophobicContact CG-CG2 4.19Å; F90-I119 HydrophobicContact CD1-CG2 3.79Å; F90-I119 HydrophobicContact CE1-CG2 3.67Å; F90-C120 WeakPolarHBondContact CD1-O 3.24Å; F90-C120 PolarHBondContact N-O 2.95Å; F90-G121 VanDerWaalsContact CE1-CA 3.42Å; F90-G121 VanDerWaalsContact CZ-CA 3.46Å; F90-N122 PolarHBondContact O-N 3.5Å; F90-W132 AromaticContact CE2-CD1 3.85Å; F90-W132 AromaticContact CE2-CD2 3.83Å; F90-W132 HydrophobicContact CE2-CD2 3.83Å; F90-W132 AromaticContact CE2-CE2 3.73Å; F90-W132 HydrophobicContact CE2-CE3 4.45Å; F90-W132 AromaticContact CE2-CG 3.93Å; F90-W132 HydrophobicContact CE2-CG 3.93Å; F90-W132 HydrophobicContact CE2-CZ2 4.28Å; F90-W132 AromaticContact CE2-NE1 3.74Å; F90-W132 AromaticContact CZ-CD2 3.85Å; F90-W132 HydrophobicContact CZ-CD2 3.85Å; F90-W132 AromaticContact CZ-CE2 3.67Å; F90-W132 HydrophobicContact CZ-CE3 4.1Å; F90-W132 HydrophobicContact CZ-CG 4.44Å; F90-W132 HydrophobicContact CZ-CH2 4.06Å; F90-W132 AromaticContact CZ-CZ2 3.79Å; F90-W132 HydrophobicContact CZ-CZ2 3.79Å; F90-W132 HydrophobicContact CZ-CZ3 4.2Å; F90-L146 HydrophobicContact CE1-CD1 3.95Å; F90-L146 HydrophobicContact CZ-CD1 4.38Å
91	D	92.1	Very high	91.8	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.7	176.3	-177.8	-15	0	0	0	109.2	T21 A93 S94 T97 K123	T21-D91 HydrophobicContact CG2-CB 4.38Å; D91-A93 PolarHBondContact O-N 2.88Å; D91-A93 VanDerWaalsContact O-N 3.15Å; D91-A93 WeakPolarHBondContact OD1-CB 3.39Å; D91-A93 PolarHBondContact OD1-N 2.99Å; D91-S94 PolarHBondContact O-N 2.98Å; D91-T97 HydrophobicContact CB-CG2 4.45Å; D91-T97 PolarHBondContact N-OG1 2.92Å; D91-T97 PolarHBondContact O-OG1 3.13Å; D91-K123 WeakPolarHBondContact OD2-CD 3.36Å; D91-K123 VanDerWaalsContact OD2-CE 3.27Å; D91-K123 WeakPolarHBondContact OD2-CE 3.34Å; D91-K123 IonicContact OD2-NZ 3.49Å; D91-K123 PolarHBondContact OD2-NZ 3.3Å
92	V	89.3	Confident	91.7	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.036	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.4	-179.3	-59	0	0	0	0	113.7	F90 N122 K123 V124 T131 W132	F90-V92 HydrophobicContact CE2-CG1 4.06Å; F90-V92 HydrophobicContact CZ-CG1 4.5Å; V92-N122 WeakPolarHBondContact CG1-O 3.36Å; V92-N122 VanDerWaalsContact CG2-O 3.32Å; V92-N122 WeakPolarHBondContact CG2-O 3.42Å; V92-N122 PolarHBondContact N-O 3.44Å; V92-K123 WeakPolarHBondContact CG2-O 3.39Å; V92-V124 HydrophobicContact CG1-CG1 3.94Å; V92-V124 HydrophobicContact CG2-CG1 4.13Å; V92-T131 PolarHBondContact O-OG1 3.03Å; V92-W132 HydrophobicContact CG1-CZ2 4.36Å
93	A	87.5	Confident	91.5	Very high	41 Å²	41	36.8 Å²	36.8	34%	0.339	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-14.9	174	0	0	0	0	0	112.7	D91 M127	D91-A93 PolarHBondContact O-N 2.88Å; D91-A93 VanDerWaalsContact O-N 3.15Å; D91-A93 WeakPolarHBondContact OD1-CB 3.39Å; D91-A93 PolarHBondContact OD1-N 2.99Å; A93-M127 HydrophobicContact CB-CG 3.78Å
94	S	88.5	Confident	91.3	Very high	43 Å²	43	36.8 Å²	36.8	30%	0.301	19%	0.19	S	C	.	.			trans	-120.2	100.6	-174.7	-177	0	0	0	0	112.8	D91 N96 T97 Y98	D91-S94 PolarHBondContact O-N 2.98Å; S94-N96 PolarHBondContact O-N 2.93Å; S94-N96 VanDerWaalsContact O-N 3.14Å; S94-T97 PolarHBondContact O-N 3.36Å; S94-T97 PolarHBondContact O-OG1 3.08Å; S94-Y98 PolarHBondContact O-N 3.21Å
95	S	85.7	Confident	91	Very high	50 Å²	50	34.6 Å²	34.6	35%	0.35	18%	0.18	S	C	.	.	H	α-helix	trans	-58.2	-29	178.6	-52.6	0	0	0	0	113.4	Y98 N99 T131	S95-Y98 PolarHBondContact O-N 3.3Å; S95-N99 VanDerWaalsContact O-CG 3.26Å; S95-N99 PolarHBondContact O-N 2.76Å; S95-N99 PolarHBondContact O-ND2 2.82Å; S95-T131 PolarHBondContact OG-O 3.5Å
96	N	88.8	Confident	90.7	Very high	98 Å²	98	41.7 Å²	41.7	52%	0.524	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-44.5	175.8	-173.6	69.9	0	0	0	111.7	S94 Y98 N99 N100	S94-N96 PolarHBondContact O-N 2.93Å; S94-N96 VanDerWaalsContact O-N 3.14Å; N96-Y98 VanDerWaalsContact C-N 3.29Å; N96-Y98 PolarHBondContact O-N 2.89Å; N96-N99 PolarHBondContact O-N 2.8Å; N96-N100 PolarHBondContact ND2-ND2 2.86Å; N96-N100 PolarHBondContact O-N 2.84Å; N96-N100 VanDerWaalsContact O-N 3.09Å; N96-N100 PolarHBondContact O-ND2 2.81Å
97	T	90.7	Very high	90.4	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-35.2	179.8	67.6	0	0	0	0	111.8	D18 T21 D91 S94 N100 V101	D18-T97 HydrophobicContact CB-CG2 3.82Å; D18-T97 WeakPolarHBondContact OD2-CA 3.27Å; T21-T97 HydrophobicContact CG2-CG2 3.9Å; D91-T97 HydrophobicContact CB-CG2 4.45Å; D91-T97 PolarHBondContact N-OG1 2.92Å; D91-T97 PolarHBondContact O-OG1 3.13Å; S94-T97 PolarHBondContact O-N 3.36Å; S94-T97 PolarHBondContact O-OG1 3.08Å; T97-N100 PolarHBondContact O-N 3.25Å; T97-V101 PolarHBondContact O-N 3.05Å
98	Y	88.9	Confident	90.1	Very high	33 Å²	33	42.7 Å²	42.7	13%	0.129	21%	0.212	C	C	.	.	H	α-helix	trans	-67.3	-44.9	174.1	-179.1	-107.5	0	0	0	112.2	F90 S94 S95 N96 N100 V101 W132 G135	F90-Y98 HydrophobicContact CD1-CD2 4.03Å; F90-Y98 AromaticContact CD2-CD2 3.87Å; F90-Y98 HydrophobicContact CD2-CD2 3.87Å; F90-Y98 HydrophobicContact CD2-CG 4.3Å; F90-Y98 AromaticContact CE1-CD2 3.79Å; F90-Y98 HydrophobicContact CE1-CD2 3.79Å; F90-Y98 HydrophobicContact CE1-CE2 4.19Å; F90-Y98 AromaticContact CE2-CD2 3.62Å; F90-Y98 HydrophobicContact CE2-CD2 3.62Å; F90-Y98 HydrophobicContact CE2-CE2 4.49Å; F90-Y98 HydrophobicContact CE2-CG 4.24Å; F90-Y98 HydrophobicContact CG-CD2 4.06Å; F90-Y98 AromaticContact CZ-CD2 3.58Å; F90-Y98 HydrophobicContact CZ-CD2 3.58Å; F90-Y98 HydrophobicContact CZ-CE2 4.06Å; S94-Y98 PolarHBondContact O-N 3.21Å; S95-Y98 PolarHBondContact O-N 3.3Å; N96-Y98 VanDerWaalsContact C-N 3.29Å; N96-Y98 PolarHBondContact O-N 2.89Å; Y98-N100 PolarHBondContact O-N 3.18Å; Y98-V101 VanDerWaalsContact O-CB 3.24Å; Y98-V101 WeakPolarHBondContact O-CB 3.12Å; Y98-V101 WeakPolarHBondContact O-CG2 3.43Å; Y98-V101 PolarHBondContact O-N 2.83Å; Y98-W132 HydrophobicContact CD1-CB 4.07Å; Y98-W132 HydrophobicContact CD2-CD2 4.47Å; Y98-W132 HydrophobicContact CD2-CE3 4.16Å; Y98-W132 AromaticContact CE2-CE3 3.78Å; Y98-W132 HydrophobicContact CE2-CE3 3.78Å; Y98-W132 HydrophobicContact CE2-CZ3 4.23Å; Y98-W132 HydrophobicContact CG-CB 4.06Å; Y98-W132 AromaticContact CZ-CE3 3.99Å; Y98-G135 PolarHBondContact OH-N 2.9Å; Y98-G135 VanDerWaalsContact OH-N 3.11Å
99	N	88	Confident	89.9	Confident	108 Å²	108	45.2 Å²	45.2	58%	0.578	23%	0.228	S	C	*	.	H	α-helix	trans	-60.1	-33.8	178.2	-70.1	-20.8	0	0	0	111.9	S95 N96 V101	S95-N99 VanDerWaalsContact O-CG 3.26Å; S95-N99 PolarHBondContact O-N 2.76Å; S95-N99 PolarHBondContact O-ND2 2.82Å; N96-N99 PolarHBondContact O-N 2.8Å; N99-V101 VanDerWaalsContact C-N 3.29Å; N99-V101 PolarHBondContact O-N 3.25Å
100	N	90.1	Very high	89.7	Confident	39 Å²	39	53.6 Å²	53.6	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-72.5	-16.1	177.3	-72.1	-26.1	0	0	0	114	D18 N96 T97 Y98 K102 R103 W104	D18-N100 WeakPolarHBondContact OD1-CB 3.21Å; D18-N100 PolarHBondContact OD2-ND2 2.86Å; N96-N100 PolarHBondContact ND2-ND2 2.86Å; N96-N100 PolarHBondContact O-N 2.84Å; N96-N100 VanDerWaalsContact O-N 3.09Å; N96-N100 PolarHBondContact O-ND2 2.81Å; T97-N100 PolarHBondContact O-N 3.25Å; Y98-N100 PolarHBondContact O-N 3.18Å; N100-K102 PolarHBondContact O-N 3.38Å; N100-R103 WeakPolarHBondContact O-CA 3.46Å; N100-R103 WeakPolarHBondContact O-CB 3.34Å; N100-R103 PolarHBondContact O-N 3Å; N100-W104 PolarHBondContact O-N 3.21Å
101	V	89.8	Confident	89.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.7	-38.8	177.9	173.6	0	0	0	0	112	I88 F90 T97 Y98 N99 R103 W104 H105 I119 F138	I88-V101 HydrophobicContact CG2-CB 4.45Å; I88-V101 HydrophobicContact CG2-CG1 3.98Å; I88-V101 HydrophobicContact CG2-CG2 4.29Å; F90-V101 HydrophobicContact CB-CG2 3.88Å; F90-V101 HydrophobicContact CD1-CG2 3.99Å; F90-V101 HydrophobicContact CG-CG2 4.19Å; T97-V101 PolarHBondContact O-N 3.05Å; Y98-V101 VanDerWaalsContact O-CB 3.24Å; Y98-V101 WeakPolarHBondContact O-CB 3.12Å; Y98-V101 WeakPolarHBondContact O-CG2 3.43Å; Y98-V101 PolarHBondContact O-N 2.83Å; N99-V101 VanDerWaalsContact C-N 3.29Å; N99-V101 PolarHBondContact O-N 3.25Å; V101-R103 VanDerWaalsContact C-N 3.29Å; V101-R103 PolarHBondContact O-N 3.03Å; V101-W104 PolarHBondContact O-N 2.91Å; V101-H105 WeakPolarHBondContact O-CB 3.39Å; V101-H105 PolarHBondContact O-N 2.65Å; V101-I119 HydrophobicContact CG1-CD1 3.68Å; V101-I119 HydrophobicContact CG1-CG1 4.06Å; V101-I119 HydrophobicContact CG1-CG2 4.16Å; V101-F138 HydrophobicContact CG1-CE2 4.45Å; V101-F138 HydrophobicContact CG1-CZ 4.2Å
102	K	88.4	Confident	89.6	Confident	108 Å²	108	56.3 Å²	56.3	47%	0.47	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-39.4	175.6	-75.9	-177.7	176.3	-173.9	0	112.1	N100 R106 D137 F138	N100-K102 PolarHBondContact O-N 3.38Å; K102-R106 WeakPolarHBondContact O-CB 3.46Å; K102-R106 PolarHBondContact O-N 3.24Å; K102-R106 VanDerWaalsContact O-N 3.07Å; K102-D137 IonicContact NZ-OD2 3.76Å; K102-D137 PolarHBondContact NZ-OD2 3Å; K102-F138 HydrophobicContact CB-CZ 4.2Å; K102-F138 HydrophobicContact CD-CE2 4.35Å; K102-F138 HydrophobicContact CD-CZ 4.45Å; K102-F138 HydrophobicContact CG-CE1 4.41Å; K102-F138 HydrophobicContact CG-CE2 3.52Å; K102-F138 HydrophobicContact CG-CZ 3.32Å
103	R	89.4	Confident	89.6	Confident	126 Å²	126	57.6 Å²	57.6	48%	0.475	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-50.1	175.7	167.1	175.9	179.9	-164.6	0	110.9	N100 V101 H105 R106 D107	N100-R103 WeakPolarHBondContact O-CA 3.46Å; N100-R103 WeakPolarHBondContact O-CB 3.34Å; N100-R103 PolarHBondContact O-N 3Å; V101-R103 VanDerWaalsContact C-N 3.29Å; V101-R103 PolarHBondContact O-N 3.03Å; R103-H105 VanDerWaalsContact C-N 3.32Å; R103-H105 PolarHBondContact O-N 3.38Å; R103-R106 PolarHBondContact O-N 3.09Å; R103-D107 IonicContact NE-OD2 3.51Å; R103-D107 PolarHBondContact O-N 3.41Å
104	W	90.9	Very high	89.6	Confident	7 Å²	7	62.4 Å²	62.4	3%	0.027	31%	0.311	C	S	.	.	H	α-helix	trans	-56.2	-46.2	177.6	-72	109	0	0	0	112.4	I16 G17 D18 E70 I88 N100 V101 D107 L108	I16-W104 HydrophobicContact CB-CD2 4.44Å; I16-W104 HydrophobicContact CB-CE3 3.63Å; I16-W104 HydrophobicContact CB-CZ3 3.77Å; I16-W104 HydrophobicContact CD1-CB 4.11Å; I16-W104 HydrophobicContact CD1-CE3 4.03Å; I16-W104 HydrophobicContact CG1-CB 4.49Å; I16-W104 HydrophobicContact CG1-CE3 4.08Å; I16-W104 HydrophobicContact CG2-CE3 4.39Å; I16-W104 HydrophobicContact CG2-CZ3 4.29Å; G17-W104 WeakPolarHBondContact O-CZ2 3.33Å; D18-W104 PolarHBondContact OD1-NE1 3.38Å; E70-W104 WeakPolarHBondContact OE1-CH2 3.48Å; E70-W104 WeakPolarHBondContact OE1-CZ3 3.35Å; I88-W104 HydrophobicContact CD1-CB 4.44Å; I88-W104 HydrophobicContact CG2-CB 3.76Å; I88-W104 HydrophobicContact CG2-CG 4.31Å; N100-W104 PolarHBondContact O-N 3.21Å; V101-W104 PolarHBondContact O-N 2.91Å; W104-D107 PolarHBondContact O-N 3.5Å; W104-L108 WeakPolarHBondContact O-CB 3.32Å; W104-L108 PolarHBondContact O-N 3.25Å
105	H	90.4	Very high	89.8	Confident	36 Å²	36	61.2 Å²	61.2	17%	0.167	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-47.7	177.2	173.3	-91.9	0	0	0	112	I88 V101 R103 D107 L108 V109 I144	I88-H105 HydrophobicContact CD1-CB 3.8Å; V101-H105 WeakPolarHBondContact O-CB 3.39Å; V101-H105 PolarHBondContact O-N 2.65Å; R103-H105 VanDerWaalsContact C-N 3.32Å; R103-H105 PolarHBondContact O-N 3.38Å; H105-D107 VanDerWaalsContact C-N 3.35Å; H105-D107 PolarHBondContact O-N 3.03Å; H105-L108 PolarHBondContact O-N 2.76Å; H105-V109 WeakPolarHBondContact O-CB 3.24Å; H105-V109 WeakPolarHBondContact O-CG2 3.31Å; H105-V109 PolarHBondContact O-N 3.14Å; H105-I144 WeakPolarHBondContact NE2-CD1 3.29Å
106	R	89.7	Confident	90.2	Very high	149 Å²	149	59.9 Å²	59.9	56%	0.562	29%	0.292	S	S	*	.	H	α-helix	trans	-59.9	-46	178.8	-179.1	-165.1	62.9	-147.4	-4.4	111.5	K102 R103 L108 V109 R110	K102-R106 WeakPolarHBondContact O-CB 3.46Å; K102-R106 PolarHBondContact O-N 3.24Å; K102-R106 VanDerWaalsContact O-N 3.07Å; R103-R106 PolarHBondContact O-N 3.09Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-V109 PolarHBondContact O-N 3.33Å; R106-R110 PolarHBondContact O-N 3.49Å; R106-R110 VanDerWaalsContact O-N 3.07Å
107	D	89.6	Confident	90.4	Very high	21 Å²	21	55.4 Å²	55.4	11%	0.112	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-40.3	-178.7	-57.9	-13.9	0	0	0	110.7	R76 F80 R103 W104 H105 R110	R76-D107 IonicContact CZ-OD2 3.67Å; R76-D107 IonicContact NH2-OD2 2.7Å; R76-D107 PolarHBondContact NH2-OD2 3.47Å; F80-D107 HydrophobicContact CE2-CB 4.22Å; R103-D107 IonicContact NE-OD2 3.51Å; R103-D107 PolarHBondContact O-N 3.41Å; W104-D107 PolarHBondContact O-N 3.5Å; H105-D107 VanDerWaalsContact C-N 3.35Å; H105-D107 PolarHBondContact O-N 3.03Å; D107-R110 WeakPolarHBondContact O-CB 3.49Å; D107-R110 PolarHBondContact O-N 3.27Å
108	L	90.4	Very high	90.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-51.5	175	176.6	68.7	0	0	0	112.5	I14 I16 F80 A86 I88 W104 H105 R106 R110 V111 C112 I115 I117	I14-L108 HydrophobicContact CG2-CD1 3.67Å; I16-L108 HydrophobicContact CD1-CB 4.06Å; I16-L108 HydrophobicContact CD1-CD2 4.22Å; F80-L108 HydrophobicContact CG-CD1 4.41Å; A86-L108 HydrophobicContact CB-CD1 4.25Å; A86-L108 HydrophobicContact CB-CD2 3.35Å; A86-L108 HydrophobicContact CB-CG 4.43Å; I88-L108 HydrophobicContact CD1-CD2 4.48Å; W104-L108 WeakPolarHBondContact O-CB 3.32Å; W104-L108 PolarHBondContact O-N 3.25Å; H105-L108 PolarHBondContact O-N 2.76Å; R106-L108 VanDerWaalsContact C-N 3.34Å; L108-R110 PolarHBondContact O-N 3.37Å; L108-V111 PolarHBondContact O-N 3.38Å; L108-C112 HydrophobicContact CD1-CB 4.45Å; L108-C112 PolarHBondContact O-N 3.39Å; L108-I115 HydrophobicContact CD1-CD1 4.22Å; L108-I115 HydrophobicContact CD2-CD1 4.39Å; L108-I115 HydrophobicContact CG-CD1 4.46Å; L108-I117 HydrophobicContact CD2-CD1 3.73Å; L108-I117 HydrophobicContact CD2-CG1 3.9Å
109	V	90.4	Very high	90.8	Very high	53 Å²	53	53.5 Å²	53.5	32%	0.321	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-30.6	-178.2	170.7	0	0	0	0	111.3	H105 R106 V111 G113 I117	H105-V109 WeakPolarHBondContact O-CB 3.24Å; H105-V109 WeakPolarHBondContact O-CG2 3.31Å; H105-V109 PolarHBondContact O-N 3.14Å; R106-V109 PolarHBondContact O-N 3.33Å; V109-V111 PolarHBondContact O-N 3.35Å; V109-G113 WeakPolarHBondContact O-CA 3.31Å; V109-G113 PolarHBondContact O-N 3.46Å; V109-I117 HydrophobicContact CG2-CD1 4.35Å
110	R	91	Very high	91.1	Very high	177 Å²	177	48.3 Å²	48.3	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-58.7	-33.5	174.4	-161.9	-173.7	102	-158.7	1.6	112.5	D77 R106 D107 L108	D77-R110 IonicContact OD2-CZ 2.86Å; D77-R110 IonicContact OD2-NH1 2.76Å; D77-R110 IonicContact OD2-NH2 3.52Å; D77-R110 PolarHBondContact OD2-NH2 3.49Å; R106-R110 PolarHBondContact O-N 3.49Å; R106-R110 VanDerWaalsContact O-N 3.07Å; D107-R110 WeakPolarHBondContact O-CB 3.49Å; D107-R110 PolarHBondContact O-N 3.27Å; L108-R110 PolarHBondContact O-N 3.37Å
111	V	91.8	Very high	91.3	Very high	47 Å²	47	46.5 Å²	46.5	29%	0.285	22%	0.222	S	C	.	.	H	α-helix	trans	-97.7	-43.5	-176.8	-177.4	0	0	0	0	112	D77 F80 V81 L108 V109	D77-V111 HydrophobicContact CB-CG2 4.16Å; F80-V111 HydrophobicContact CB-CB 3.89Å; F80-V111 HydrophobicContact CB-CG1 3.75Å; F80-V111 HydrophobicContact CB-CG2 4.27Å; F80-V111 HydrophobicContact CD2-CB 4.3Å; F80-V111 HydrophobicContact CD2-CG2 3.99Å; V81-V111 HydrophobicContact CG2-CG1 4.09Å; L108-V111 PolarHBondContact O-N 3.38Å; V109-V111 PolarHBondContact O-N 3.35Å
112	C	91.6	Very high	91.5	Very high	29 Å²	29	46.7 Å²	46.7	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-103	-8.2	-170.5	-55.2	0	0	0	0	114.4	F80 L108 I115	F80-C112 PolarHBondContact O-SG 2.9Å; L108-C112 HydrophobicContact CD1-CB 4.45Å; L108-C112 PolarHBondContact O-N 3.39Å; C112-I115 HydrophobicContact CB-CD1 3.77Å; C112-I115 HydrophobicContact CB-CG1 4.21Å; C112-I115 HydrophobicContact CB-CG2 4.12Å
113	G	90.2	Very high	91.6	Very high	32 Å²	32	43.9 Å²	43.9	33%	0.33	21%	0.211	S	C	.	.			trans	65.2	-141.1	-171.4	0	0	0	0	0	112.3	V109 I115	V109-G113 WeakPolarHBondContact O-CA 3.31Å; V109-G113 PolarHBondContact O-N 3.46Å; G113-I115 PolarHBondContact O-N 3.21Å
114	N	87.8	Confident	91.7	Very high	142 Å²	142	39.8 Å²	39.8	76%	0.759	20%	0.199	S	C	*	.	S	Bend	trans	-94.5	74.5	-172.8	-170.1	33.2	0	0	0	112.3
115	I	93.1	Very high	91.4	Very high	19 Å²	19	42 Å²	42	10%	0.097	21%	0.212	C	C	.	.			trans	-89.2	159.3	172.6	60.9	173.9	0	0	0	111.6	A86 L108 C112 G113 I117	A86-I115 HydrophobicContact CB-CD1 4.2Å; L108-I115 HydrophobicContact CD1-CD1 4.22Å; L108-I115 HydrophobicContact CD2-CD1 4.39Å; L108-I115 HydrophobicContact CG-CD1 4.46Å; C112-I115 HydrophobicContact CB-CD1 3.77Å; C112-I115 HydrophobicContact CB-CG1 4.21Å; C112-I115 HydrophobicContact CB-CG2 4.12Å; G113-I115 PolarHBondContact O-N 3.21Å; I115-I117 HydrophobicContact CG1-CD1 4.46Å; I115-I117 HydrophobicContact CG1-CG1 4.14Å; I115-I117 WeakPolarHBondContact O-CG1 3.31Å; I115-I117 PolarHBondContact O-N 2.97Å
116	P	93.6	Very high	91	Very high	22 Å²	22	45.1 Å²	45.1	14%	0.143	23%	0.228	C	C	.	.			trans	-58.9	126.4	169.5	-24.9	35.4	0	0	0	111.9	Q84 C85 A86 L164 K167 L168	Q84-P116 WeakPolarHBondContact O-CD 3.3Å; C85-P116 VanDerWaalsContact CA-O 3.31Å; C85-P116 WeakPolarHBondContact CA-O 3.37Å; C85-P116 HydrophobicContact CB-CB 4.47Å; A86-P116 PolarHBondContact N-O 3.15Å; P116-L164 HydrophobicContact CB-CD2 3.81Å; P116-K167 HydrophobicContact CB-CB 3.98Å; P116-K167 HydrophobicContact CG-CB 3.95Å; P116-L168 HydrophobicContact CG-CD2 4.41Å
117	I	93.7	Very high	89.9	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.9	-177.2	-62.2	162.1	0	0	0	109.7	A86 I88 L108 V109 I115 I144 Y145	A86-I117 HydrophobicContact CB-CG1 4.26Å; A86-I117 WeakPolarHBondContact O-CA 3.44Å; I88-I117 HydrophobicContact CD1-CG2 3.93Å; I88-I117 HydrophobicContact CG1-CG2 3.95Å; L108-I117 HydrophobicContact CD2-CD1 3.73Å; L108-I117 HydrophobicContact CD2-CG1 3.9Å; V109-I117 HydrophobicContact CG2-CD1 4.35Å; I115-I117 HydrophobicContact CG1-CD1 4.46Å; I115-I117 HydrophobicContact CG1-CG1 4.14Å; I115-I117 WeakPolarHBondContact O-CG1 3.31Å; I115-I117 PolarHBondContact O-N 2.97Å; I117-I144 HydrophobicContact CB-CG1 4.44Å; I117-Y145 PolarHBondContact O-N 3.22Å
118	V	94.2	Very high	88.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.3	168.4	180	0	0	0	0	109.1	A86 I87 I88 Y145 I147 P160 Y163 L164	A86-V118 PolarHBondContact O-N 2.82Å; I87-V118 CarbonylContact C-O 3.56Å; I87-V118 WeakPolarHBondContact CA-O 3.28Å; I87-V118 HydrophobicContact CG1-CB 4.49Å; I88-V118 PolarHBondContact N-O 3.46Å; V118-Y145 CarbonylContact C-O 3.58Å; V118-Y145 WeakPolarHBondContact CA-O 3.19Å; V118-Y145 WeakPolarHBondContact CG1-O 3.41Å; V118-I147 HydrophobicContact CG1-CB 4.38Å; V118-I147 HydrophobicContact CG1-CD1 3.75Å; V118-I147 HydrophobicContact CG1-CG1 3.99Å; V118-P160 HydrophobicContact CB-CB 4.47Å; V118-P160 HydrophobicContact CG1-CB 4Å; V118-P160 HydrophobicContact CG1-CG 4.41Å; V118-Y163 HydrophobicContact CG2-CD1 3.32Å; V118-Y163 HydrophobicContact CG2-CE1 3.89Å; V118-Y163 HydrophobicContact CG2-CG 4.18Å; V118-L164 HydrophobicContact CG2-CD1 4.3Å; V118-L164 HydrophobicContact CG2-CD2 3.75Å; V118-L164 HydrophobicContact CG2-CG 3.76Å
119	I	93.7	Very high	86.8	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.7	168.1	-63.1	171.9	0	0	0	108	I88 F90 V101 F138 I144 Y145 L146 I147	I88-I119 HydrophobicContact CB-CG1 4.41Å; I88-I119 CarbonylContact O-C 3.45Å; I88-I119 WeakPolarHBondContact O-CA 3.3Å; F90-I119 HydrophobicContact CD1-CG2 3.79Å; F90-I119 HydrophobicContact CE1-CG2 3.67Å; V101-I119 HydrophobicContact CG1-CD1 3.68Å; V101-I119 HydrophobicContact CG1-CG1 4.06Å; V101-I119 HydrophobicContact CG1-CG2 4.16Å; I119-F138 HydrophobicContact CD1-CD1 4.35Å; I119-F138 HydrophobicContact CD1-CE1 4.45Å; I119-F138 HydrophobicContact CD1-CG 4.38Å; I119-I144 HydrophobicContact CB-CG2 4.41Å; I119-I144 HydrophobicContact CD1-CG2 3.3Å; I119-I144 HydrophobicContact CG1-CG2 3.58Å; I119-Y145 PolarHBondContact N-O 2.57Å; I119-L146 HydrophobicContact CB-CD1 4.08Å; I119-L146 HydrophobicContact CG2-CD1 3.73Å; I119-L146 CarbonylContact O-C 3.53Å; I119-L146 WeakPolarHBondContact O-CA 3.32Å; I119-I147 PolarHBondContact O-N 3.36Å
120	C	94.3	Very high	85.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	115.4	-179.3	-69.8	0	0	0	0	111.1	I87 I88 M89 F90 N122 I147 M149 P160	I87-C120 HydrophobicContact CG2-CB 4.12Å; I88-C120 PolarHBondContact O-N 2.87Å; M89-C120 WeakPolarHBondContact CA-O 3.49Å; M89-C120 HydrophobicContact CG-CB 4.37Å; F90-C120 WeakPolarHBondContact CD1-O 3.24Å; F90-C120 PolarHBondContact N-O 2.95Å; C120-N122 PolarHBondContact O-N 2.9Å; C120-I147 CarbonylContact C-O 3.57Å; C120-I147 WeakPolarHBondContact CA-O 3.28Å; C120-M149 HydrophobicContact CB-CG 4.26Å; C120-M149 HydrophobicContact CB-SD 3.74Å; C120-P160 WeakPolarHBondContact SG-CG 3.35Å
121	G	93.6	Very high	83.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	102.9	166	0	0	0	0	0	109.7	F90 I147 E148 M149	F90-G121 VanDerWaalsContact CE1-CA 3.42Å; F90-G121 VanDerWaalsContact CZ-CA 3.46Å; G121-I147 PolarHBondContact N-O 2.85Å; G121-E148 WeakPolarHBondContact O-CA 3.41Å; G121-M149 PolarHBondContact O-N 3.19Å
122	N	93.4	Very high	82.5	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	164.5	-177.9	-171	33.4	0	0	0	112.3	T21 M89 F90 V92 C120 M149 A151	T21-N122 PolarHBondContact O-ND2 3.13Å; M89-N122 HydrophobicContact CG-CB 3.99Å; M89-N122 HydrophobicContact SD-CB 3.87Å; F90-N122 PolarHBondContact O-N 3.5Å; V92-N122 WeakPolarHBondContact CG1-O 3.36Å; V92-N122 VanDerWaalsContact CG2-O 3.32Å; V92-N122 WeakPolarHBondContact CG2-O 3.42Å; V92-N122 PolarHBondContact N-O 3.44Å; C120-N122 PolarHBondContact O-N 2.9Å; N122-M149 CarbonylContact C-O 3.54Å; N122-M149 VanDerWaalsContact CA-O 3.28Å; N122-M149 WeakPolarHBondContact CA-O 3.49Å; N122-M149 HydrophobicContact CB-CG 4.38Å; N122-M149 PolarHBondContact OD1-O 3.49Å; N122-A151 PolarHBondContact OD1-N 2.92Å
123	K	91.6	Very high	81	Confident	50 Å²	50	61.9 Å²	61.9	22%	0.217	31%	0.308	C	S	.	.			trans	70.7	32.8	177.9	-45.7	-168.5	-163.4	165.2	0	115.5	G20 D91 V92 D125 I126 M149	G20-K123 VanDerWaalsContact O-CE 3.28Å; G20-K123 WeakPolarHBondContact O-CE 3.49Å; G20-K123 PolarHBondContact O-NZ 3.36Å; D91-K123 WeakPolarHBondContact OD2-CD 3.36Å; D91-K123 VanDerWaalsContact OD2-CE 3.27Å; D91-K123 WeakPolarHBondContact OD2-CE 3.34Å; D91-K123 IonicContact OD2-NZ 3.49Å; D91-K123 PolarHBondContact OD2-NZ 3.3Å; V92-K123 WeakPolarHBondContact CG2-O 3.39Å; K123-D125 WeakPolarHBondContact CA-OD1 3.5Å; K123-D125 PolarHBondContact O-N 3.5Å; K123-D125 VanDerWaalsContact O-N 3.09Å; K123-I126 HydrophobicContact CB-CD1 4.09Å; K123-I126 HydrophobicContact CB-CG1 4.36Å; K123-I126 HydrophobicContact CD-CD1 4.03Å; K123-I126 PolarHBondContact O-N 2.96Å; K123-I126 VanDerWaalsContact O-N 3.11Å; K123-M149 PolarHBondContact N-O 3.22Å; K123-M149 VanDerWaalsContact N-O 3.16Å
124	V	89.8	Confident	79.5	Confident	40 Å²	40	66.7 Å²	66.7	24%	0.242	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.5	175.3	-59	0	0	0	0	114	V92 I126 E148 M149 Y155	V92-V124 HydrophobicContact CG1-CG1 3.94Å; V92-V124 HydrophobicContact CG2-CG1 4.13Å; V124-I126 VanDerWaalsContact C-N 3.3Å; V124-I126 PolarHBondContact O-N 3.09Å; V124-E148 HydrophobicContact CG1-CB 4.04Å; V124-E148 HydrophobicContact CG1-CG 4.42Å; V124-M149 WeakPolarHBondContact CG2-O 3.46Å; V124-M149 PolarHBondContact N-O 2.81Å; V124-Y155 HydrophobicContact CG2-CD1 3.75Å; V124-Y155 HydrophobicContact CG2-CE1 4.22Å
125	D	86.4	Confident	77.9	Confident	54 Å²	54	61.3 Å²	61.3	29%	0.289	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.6	173.5	58	-74.4	0	0	0	113.9	K123 S150 K152	K123-D125 WeakPolarHBondContact CA-OD1 3.5Å; K123-D125 PolarHBondContact O-N 3.5Å; K123-D125 VanDerWaalsContact O-N 3.09Å; D125-S150 VanDerWaalsContact CG-OG 3.29Å; D125-S150 VanDerWaalsContact OD1-CB 3.32Å; D125-S150 WeakPolarHBondContact OD1-CB 3.33Å; D125-S150 PolarHBondContact OD1-OG 3.38Å; D125-K152 WeakPolarHBondContact OD2-CD 3.33Å; D125-K152 IonicContact OD2-NZ 2.71Å
126	I	81.6	Confident	75.6	Confident	100 Å²	100	65.1 Å²	65.1	51%	0.513	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-19.4	-174	-52.4	-178.3	0	0	0	111.7	K123 V124	K123-I126 HydrophobicContact CB-CD1 4.09Å; K123-I126 HydrophobicContact CB-CG1 4.36Å; K123-I126 HydrophobicContact CD-CD1 4.03Å; K123-I126 PolarHBondContact O-N 2.96Å; K123-I126 VanDerWaalsContact O-N 3.11Å; V124-I126 VanDerWaalsContact C-N 3.3Å; V124-I126 PolarHBondContact O-N 3.09Å
127	M	65.8	Low	73.7	Confident	67 Å²	67	69.3 Å²	69.3	33%	0.33	34%	0.343	S	S	.	.			trans	-125.4	115	-169.9	-76.2	-66.8	-88.8	0	0	113	A93 K129 T131	A93-M127 HydrophobicContact CB-CG 3.78Å; M127-K129 VanDerWaalsContact C-N 3.31Å; M127-K129 WeakPolarHBondContact CE-O 3.44Å; M127-T131 HydrophobicContact CE-CG2 3.39Å
128	H	58.8	Low	72	Confident	202 Å²	202	70.4 Å²	70.4	94%	0.935	35%	0.348	S	S	*	.	S	Bend	trans	-74.7	-19	169.3	-63.5	-65	0	0	0	113.1
129	K	56.1	Low	69.9	Low	176 Å²	176	75.5 Å²	75.5	77%	0.765	38%	0.375	S	S	*	.	S	Bend	trans	-133.5	122.9	-177.1	-148.7	174.4	-173.9	177.5	0	110.6	M127 T131	M127-K129 VanDerWaalsContact C-N 3.31Å; M127-K129 WeakPolarHBondContact CE-O 3.44Å; K129-T131 PolarHBondContact O-N 3.16Å
130	K	59.9	Low	67.8	Low	126 Å²	126	85.5 Å²	85.5	55%	0.548	41%	0.412	S	S	.	.			trans	-68.2	123.1	-174.7	-53.4	-174.5	179	-169.2	0	110.8	W132 E148	K130-W132 WeakPolarHBondContact CB-O 3.4Å; K130-E148 WeakPolarHBondContact CE-OE1 3.47Å; K130-E148 IonicContact NZ-OE1 3.36Å; K130-E148 PolarHBondContact NZ-OE1 3.43Å; K130-E148 IonicContact NZ-OE2 2.71Å; K130-E148 PolarHBondContact NZ-OE2 3.11Å
131	T	58.9	Low	65.6	Low	64 Å²	64	94.9 Å²	94.9	39%	0.393	45%	0.453	S	S	.	.	S	Bend	trans	-83.8	-16.5	173.1	48.6	0	0	0	0	112.6	V92 S95 M127 K129	V92-T131 PolarHBondContact O-OG1 3.03Å; S95-T131 PolarHBondContact OG-O 3.5Å; M127-T131 HydrophobicContact CE-CG2 3.39Å; K129-T131 PolarHBondContact O-N 3.16Å
132	W	63.9	Low	63.7	Low	7 Å²	7	97.7 Å²	97.7	3%	0.027	47%	0.47	C	S	.	.	S	Bend	trans	-102.9	137.5	169.4	66.3	-78.4	0	0	0	109.5	F90 V92 Y98 K130 K134 L146 E148	F90-W132 AromaticContact CE2-CD1 3.85Å; F90-W132 AromaticContact CE2-CD2 3.83Å; F90-W132 HydrophobicContact CE2-CD2 3.83Å; F90-W132 AromaticContact CE2-CE2 3.73Å; F90-W132 HydrophobicContact CE2-CE3 4.45Å; F90-W132 AromaticContact CE2-CG 3.93Å; F90-W132 HydrophobicContact CE2-CG 3.93Å; F90-W132 HydrophobicContact CE2-CZ2 4.28Å; F90-W132 AromaticContact CE2-NE1 3.74Å; F90-W132 AromaticContact CZ-CD2 3.85Å; F90-W132 HydrophobicContact CZ-CD2 3.85Å; F90-W132 AromaticContact CZ-CE2 3.67Å; F90-W132 HydrophobicContact CZ-CE3 4.1Å; F90-W132 HydrophobicContact CZ-CG 4.44Å; F90-W132 HydrophobicContact CZ-CH2 4.06Å; F90-W132 AromaticContact CZ-CZ2 3.79Å; F90-W132 HydrophobicContact CZ-CZ2 3.79Å; F90-W132 HydrophobicContact CZ-CZ3 4.2Å; V92-W132 HydrophobicContact CG1-CZ2 4.36Å; Y98-W132 HydrophobicContact CD1-CB 4.07Å; Y98-W132 HydrophobicContact CD2-CD2 4.47Å; Y98-W132 HydrophobicContact CD2-CE3 4.16Å; Y98-W132 AromaticContact CE2-CE3 3.78Å; Y98-W132 HydrophobicContact CE2-CE3 3.78Å; Y98-W132 HydrophobicContact CE2-CZ3 4.23Å; Y98-W132 HydrophobicContact CG-CB 4.06Å; Y98-W132 AromaticContact CZ-CE3 3.99Å; K130-W132 WeakPolarHBondContact CB-O 3.4Å; W132-K134 HydrophobicContact CH2-CG 4.24Å; W132-K134 HydrophobicContact CZ3-CB 4.48Å; W132-K134 HydrophobicContact CZ3-CG 3.83Å; W132-L146 HydrophobicContact CH2-CD1 4.21Å; W132-L146 HydrophobicContact CH2-CD2 3.69Å; W132-L146 HydrophobicContact CH2-CG 4.28Å; W132-L146 HydrophobicContact CZ3-CD2 3.69Å; W132-E148 HydrophobicContact CH2-CG 4.4Å; W132-E148 WeakPolarHBondContact CH2-OE1 3.45Å; W132-E148 HydrophobicContact CZ2-CG 4.01Å; W132-E148 WeakPolarHBondContact CZ2-OE1 3.28Å
133	K	60	Low	62.1	Low	187 Å²	187	100.7 Å²	100.7	81%	0.813	49%	0.487	S	S	*	.			trans	-93.5	140.9	168.3	-65.9	-177.7	-179.6	179.4	0	107	G135	K133-G135 PolarHBondContact O-N 3.37Å
134	K	58.9	Low	61.1	Low	132 Å²	132	99.1 Å²	99.1	57%	0.574	48%	0.48	S	S	*	.			trans	-50.7	105.8	168.2	-84.7	-171.6	173.7	-169.9	0	107.7	W132 V136 L146	W132-K134 HydrophobicContact CH2-CG 4.24Å; W132-K134 HydrophobicContact CZ3-CB 4.48Å; W132-K134 HydrophobicContact CZ3-CG 3.83Å; K134-V136 PolarHBondContact O-N 2.79Å; K134-L146 HydrophobicContact CD-CD2 4.45Å; K134-L146 HydrophobicContact CG-CD2 4.03Å
135	G	53.8	Low	60.6	Low	30 Å²	30	102.9 Å²	102.9	31%	0.309	49%	0.491	S	S	.	.			trans	-63.6	125.8	173.2	0	0	0	0	0	108.3	Y98 K133 D137	Y98-G135 PolarHBondContact OH-N 2.9Å; Y98-G135 VanDerWaalsContact OH-N 3.11Å; K133-G135 PolarHBondContact O-N 3.37Å; G135-D137 PolarHBondContact O-N 2.98Å; G135-D137 VanDerWaalsContact O-N 3.11Å
136	V	46.2	Very low	60.6	Low	98 Å²	98	102.3 Å²	102.3	59%	0.594	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.4	-179.4	-177.5	0	0	0	0	111.9	K134	K134-V136 PolarHBondContact O-N 2.79Å
137	D	53.6	Low	61	Low	110 Å²	110	97.9 Å²	97.9	59%	0.588	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-34.7	-168.7	-63.6	-19.2	0	0	0	115.3	K102 G135	K102-D137 IonicContact NZ-OD2 3.76Å; K102-D137 PolarHBondContact NZ-OD2 3Å; G135-D137 PolarHBondContact O-N 2.98Å; G135-D137 VanDerWaalsContact O-N 3.11Å
138	F	57.2	Low	62.2	Low	28 Å²	28	97 Å²	97	12%	0.123	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-26.1	-176	-79.2	-72.2	0	0	0	113.2	V101 K102 I119 R140 T142 I144	V101-F138 HydrophobicContact CG1-CE2 4.45Å; V101-F138 HydrophobicContact CG1-CZ 4.2Å; K102-F138 HydrophobicContact CB-CZ 4.2Å; K102-F138 HydrophobicContact CD-CE2 4.35Å; K102-F138 HydrophobicContact CD-CZ 4.45Å; K102-F138 HydrophobicContact CG-CE1 4.41Å; K102-F138 HydrophobicContact CG-CE2 3.52Å; K102-F138 HydrophobicContact CG-CZ 3.32Å; I119-F138 HydrophobicContact CD1-CD1 4.35Å; I119-F138 HydrophobicContact CD1-CE1 4.45Å; I119-F138 HydrophobicContact CD1-CG 4.38Å; F138-R140 PolarHBondContact O-N 3.15Å; F138-T142 PolarHBondContact O-OG1 3.09Å; F138-I144 HydrophobicContact CD1-CD1 3.82Å; F138-I144 HydrophobicContact CE1-CD1 4.2Å
139	D	50.4	Low	63.8	Low	107 Å²	107	87.4 Å²	87.4	57%	0.572	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-20.5	-164.1	-136.6	8.6	0	0	0	113.6
140	R	49.1	Very low	65.5	Low	213 Å²	213	79 Å²	79	80%	0.804	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-17.8	-168	-72.3	-176.4	173.2	177.9	-2.2	116.1	F138	F138-R140 PolarHBondContact O-N 3.15Å
141	K	48.4	Very low	66.9	Low	198 Å²	198	73.1 Å²	73.1	86%	0.861	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-8.7	-171.5	-68.8	-171.7	178.4	-177.3	0	115.4
142	T	54.8	Low	68.3	Low	59 Å²	59	74.8 Å²	74.8	36%	0.362	36%	0.355	S	S	.	.	S	Bend	trans	-127.5	144.4	-173.7	48.6	0	0	0	0	111.1	F138 I144	F138-T142 PolarHBondContact O-OG1 3.09Å; T142-I144 HydrophobicContact CG2-CD1 4.29Å; T142-I144 PolarHBondContact O-N 3.44Å; T142-I144 VanDerWaalsContact OG1-CD1 3.27Å; T142-I144 WeakPolarHBondContact OG1-CD1 3.44Å
143	N	60.1	Low	69.4	Low	67 Å²	67	77.8 Å²	77.8	36%	0.358	38%	0.378	S	S	.	.	S	Bend	trans	-70.2	46.9	178.3	-172.9	29.8	0	0	0	112.1	Y163	N143-Y163 PolarHBondContact OD1-OH 2.83Å
144	I	69.9	Low	70.6	Confident	16 Å²	16	72.4 Å²	72.4	8%	0.082	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.5	-168.8	-66.4	177.9	0	0	0	107.7	H105 I117 I119 F138 T142	H105-I144 WeakPolarHBondContact NE2-CD1 3.29Å; I117-I144 HydrophobicContact CB-CG1 4.44Å; I119-I144 HydrophobicContact CB-CG2 4.41Å; I119-I144 HydrophobicContact CD1-CG2 3.3Å; I119-I144 HydrophobicContact CG1-CG2 3.58Å; F138-I144 HydrophobicContact CD1-CD1 3.82Å; F138-I144 HydrophobicContact CE1-CD1 4.2Å; T142-I144 HydrophobicContact CG2-CD1 4.29Å; T142-I144 PolarHBondContact O-N 3.44Å; T142-I144 VanDerWaalsContact OG1-CD1 3.27Å; T142-I144 WeakPolarHBondContact OG1-CD1 3.44Å
145	Y	78.4	Confident	72	Confident	120 Å²	120	71.7 Å²	71.7	47%	0.471	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.8	178.8	-168.7	-120.5	0	0	0	109.8	I117 V118 I119 I147 Y163	I117-Y145 PolarHBondContact O-N 3.22Å; V118-Y145 CarbonylContact C-O 3.58Å; V118-Y145 WeakPolarHBondContact CA-O 3.19Å; V118-Y145 WeakPolarHBondContact CG1-O 3.41Å; I119-Y145 PolarHBondContact N-O 2.57Å; Y145-I147 HydrophobicContact CD1-CD1 3.64Å; Y145-I147 HydrophobicContact CD1-CG1 3.51Å; Y145-I147 HydrophobicContact CE1-CD1 3.66Å; Y145-I147 HydrophobicContact CE1-CG1 3.5Å; Y145-Y163 AromaticContact CD1-CD2 3.77Å; Y145-Y163 HydrophobicContact CD1-CD2 3.77Å; Y145-Y163 HydrophobicContact CD1-CE2 4.11Å; Y145-Y163 AromaticContact CD1-CG 3.99Å; Y145-Y163 HydrophobicContact CD1-CG 3.99Å; Y145-Y163 HydrophobicContact CD2-CE2 4.38Å; Y145-Y163 HydrophobicContact CE1-CD2 4.29Å; Y145-Y163 HydrophobicContact CG-CD2 4.03Å; Y145-Y163 AromaticContact CG-CE2 3.87Å; Y145-Y163 HydrophobicContact CG-CE2 3.87Å; Y145-Y163 HydrophobicContact CG-CG 4.47Å
146	L	87.1	Confident	73.8	Confident	41 Å²	41	71.7 Å²	71.7	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.2	-178.5	173.7	64.6	0	0	0	110.1	F90 I119 W132 K134	F90-L146 HydrophobicContact CE1-CD1 3.95Å; F90-L146 HydrophobicContact CZ-CD1 4.38Å; I119-L146 HydrophobicContact CB-CD1 4.08Å; I119-L146 HydrophobicContact CG2-CD1 3.73Å; I119-L146 CarbonylContact O-C 3.53Å; I119-L146 WeakPolarHBondContact O-CA 3.32Å; W132-L146 HydrophobicContact CH2-CD1 4.21Å; W132-L146 HydrophobicContact CH2-CD2 3.69Å; W132-L146 HydrophobicContact CH2-CG 4.28Å; W132-L146 HydrophobicContact CZ3-CD2 3.69Å; K134-L146 HydrophobicContact CD-CD2 4.45Å; K134-L146 HydrophobicContact CG-CD2 4.03Å
147	I	89.8	Confident	75.9	Confident	8 Å²	8	67.2 Å²	67.2	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.7	-180	-60.9	179.8	0	0	0	109.7	V118 I119 C120 G121 Y145 N156 K159 P160	V118-I147 HydrophobicContact CG1-CB 4.38Å; V118-I147 HydrophobicContact CG1-CD1 3.75Å; V118-I147 HydrophobicContact CG1-CG1 3.99Å; I119-I147 PolarHBondContact O-N 3.36Å; C120-I147 CarbonylContact C-O 3.57Å; C120-I147 WeakPolarHBondContact CA-O 3.28Å; G121-I147 PolarHBondContact N-O 2.85Å; Y145-I147 HydrophobicContact CD1-CD1 3.64Å; Y145-I147 HydrophobicContact CD1-CG1 3.51Å; Y145-I147 HydrophobicContact CE1-CD1 3.66Å; Y145-I147 HydrophobicContact CE1-CG1 3.5Å; I147-N156 HydrophobicContact CG2-CB 4.21Å; I147-K159 HydrophobicContact CD1-CB 3.81Å; I147-K159 HydrophobicContact CG2-CB 4.32Å; I147-P160 HydrophobicContact CD1-CB 4.34Å; I147-P160 HydrophobicContact CD1-CG 3.94Å; I147-P160 HydrophobicContact CG2-CG 4.43Å
148	E	90.7	Very high	77.7	Confident	48 Å²	48	66.9 Å²	66.9	22%	0.224	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.5	168.2	-77	176.9	-177.6	0	0	109.2	G121 V124 K130 W132 N156	G121-E148 WeakPolarHBondContact O-CA 3.41Å; V124-E148 HydrophobicContact CG1-CB 4.04Å; V124-E148 HydrophobicContact CG1-CG 4.42Å; K130-E148 WeakPolarHBondContact CE-OE1 3.47Å; K130-E148 IonicContact NZ-OE1 3.36Å; K130-E148 PolarHBondContact NZ-OE1 3.43Å; K130-E148 IonicContact NZ-OE2 2.71Å; K130-E148 PolarHBondContact NZ-OE2 3.11Å; W132-E148 HydrophobicContact CH2-CG 4.4Å; W132-E148 WeakPolarHBondContact CH2-OE1 3.45Å; W132-E148 HydrophobicContact CZ2-CG 4.01Å; W132-E148 WeakPolarHBondContact CZ2-OE1 3.28Å; E148-N156 VanDerWaalsContact O-CB 3.31Å; E148-N156 WeakPolarHBondContact O-CB 3.37Å; E148-N156 PolarHBondContact O-ND2 3.09Å
149	M	92.2	Very high	79.4	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.329	C	S	.	.			trans	-145.4	161.5	-174.1	56.5	167.2	-74.6	0	0	112.5	L26 M89 C120 G121 N122 K123 V124 A151 Y155 N156 V157 P160	L26-M149 HydrophobicContact CB-CE 4.34Å; L26-M149 HydrophobicContact CD1-CE 3.58Å; L26-M149 HydrophobicContact CD2-CE 4.04Å; L26-M149 HydrophobicContact CD2-SD 4.26Å; L26-M149 HydrophobicContact CG-CE 4.19Å; M89-M149 HydrophobicContact CE-CE 4.27Å; M89-M149 HydrophobicContact CE-SD 4.32Å; C120-M149 HydrophobicContact CB-CG 4.26Å; C120-M149 HydrophobicContact CB-SD 3.74Å; G121-M149 PolarHBondContact O-N 3.19Å; N122-M149 CarbonylContact C-O 3.54Å; N122-M149 VanDerWaalsContact CA-O 3.28Å; N122-M149 WeakPolarHBondContact CA-O 3.49Å; N122-M149 HydrophobicContact CB-CG 4.38Å; N122-M149 PolarHBondContact OD1-O 3.49Å; K123-M149 PolarHBondContact N-O 3.22Å; K123-M149 VanDerWaalsContact N-O 3.16Å; V124-M149 WeakPolarHBondContact CG2-O 3.46Å; V124-M149 PolarHBondContact N-O 2.81Å; M149-A151 HydrophobicContact CE-CB 4.32Å; M149-Y155 CarbonylContact C-O 3.54Å; M149-Y155 VanDerWaalsContact CA-O 3.24Å; M149-Y155 WeakPolarHBondContact CA-O 3.34Å; M149-Y155 VanDerWaalsContact CB-O 3.3Å; M149-Y155 WeakPolarHBondContact CB-O 3.38Å; M149-N156 HydrophobicContact CB-CB 4.13Å; M149-V157 HydrophobicContact CE-CG1 4.16Å; M149-P160 HydrophobicContact SD-CG 4.45Å
150	S	91.6	Very high	81.5	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-132.9	113.5	166.1	173	0	0	0	0	109.4	D125 K152 S153 N154 Y155 V157	D125-S150 VanDerWaalsContact CG-OG 3.29Å; D125-S150 VanDerWaalsContact OD1-CB 3.32Å; D125-S150 WeakPolarHBondContact OD1-CB 3.33Å; D125-S150 PolarHBondContact OD1-OG 3.38Å; S150-K152 PolarHBondContact O-N 2.87Å; S150-K152 PolarHBondContact OG-N 3.11Å; S150-S153 WeakPolarHBondContact CB-OG 3.39Å; S150-S153 PolarHBondContact OG-N 3.24Å; S150-S153 VanDerWaalsContact OG-N 3.09Å; S150-S153 PolarHBondContact OG-OG 3.5Å; S150-N154 CarbonylContact O-C 3.58Å; S150-N154 WeakPolarHBondContact O-CA 3.34Å; S150-N154 PolarHBondContact O-N 3Å; S150-N154 VanDerWaalsContact O-N 3.09Å; S150-Y155 PolarHBondContact N-O 3.14Å; S150-Y155 PolarHBondContact O-N 3.05Å; S150-V157 WeakPolarHBondContact O-CG1 3.47Å
151	A	89.6	Confident	83.7	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.017	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.7	170.5	0	0	0	0	0	112.3	T25 N122 M149	T25-A151 HydrophobicContact CG2-CB 3.87Å; N122-A151 PolarHBondContact OD1-N 2.92Å; M149-A151 HydrophobicContact CE-CB 4.32Å
152	K	87.8	Confident	85.8	Confident	99 Å²	99	46.9 Å²	46.9	43%	0.43	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-48.2	178.4	-174.2	-170.5	-174.1	-179.8	0	111.9	F35 D125 S150	F35-K152 HydrophobicContact CD1-CG 4.3Å; F35-K152 HydrophobicContact CD2-CB 4.32Å; F35-K152 HydrophobicContact CE1-CG 3.88Å; F35-K152 HydrophobicContact CE2-CB 3.91Å; F35-K152 HydrophobicContact CE2-CG 4.13Å; F35-K152 HydrophobicContact CZ-CB 4.05Å; F35-K152 HydrophobicContact CZ-CD 4.47Å; F35-K152 HydrophobicContact CZ-CG 3.81Å; D125-K152 WeakPolarHBondContact OD2-CD 3.33Å; D125-K152 IonicContact OD2-NZ 2.71Å; S150-K152 PolarHBondContact O-N 2.87Å; S150-K152 PolarHBondContact OG-N 3.11Å
153	S	87.1	Confident	87.7	Confident	71 Å²	71	46 Å²	46	50%	0.497	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	8.3	-175.4	78.3	0	0	0	0	113.7	S150 Y155	S150-S153 WeakPolarHBondContact CB-OG 3.39Å; S150-S153 PolarHBondContact OG-N 3.24Å; S150-S153 VanDerWaalsContact OG-N 3.09Å; S150-S153 PolarHBondContact OG-OG 3.5Å; S153-Y155 PolarHBondContact O-N 3.4Å; S153-Y155 VanDerWaalsContact O-N 3.15Å; S153-Y155 VanDerWaalsContact OG-CB 3.3Å; S153-Y155 WeakPolarHBondContact OG-CB 3.32Å
154	N	86	Confident	89.4	Confident	73 Å²	73	42.8 Å²	42.8	39%	0.39	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	17.7	-171.8	-143.8	47.7	0	0	0	114.9	R29 S150 N156 V157	R29-N154 PolarHBondContact NE-OD1 3.12Å; S150-N154 CarbonylContact O-C 3.58Å; S150-N154 WeakPolarHBondContact O-CA 3.34Å; S150-N154 PolarHBondContact O-N 3Å; S150-N154 VanDerWaalsContact O-N 3.09Å; N154-N156 PolarHBondContact O-N 2.7Å; N154-V157 VanDerWaalsContact OD1-CG2 3.29Å; N154-V157 WeakPolarHBondContact OD1-CG2 3.5Å
155	Y	89.3	Confident	90.6	Very high	117 Å²	117	42 Å²	42	46%	0.459	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-76.3	121.2	-175.4	178.6	-105.8	0	0	0	110.6	V124 M149 S150 S153 V157	V124-Y155 HydrophobicContact CG2-CD1 3.75Å; V124-Y155 HydrophobicContact CG2-CE1 4.22Å; M149-Y155 CarbonylContact C-O 3.54Å; M149-Y155 VanDerWaalsContact CA-O 3.24Å; M149-Y155 WeakPolarHBondContact CA-O 3.34Å; M149-Y155 VanDerWaalsContact CB-O 3.3Å; M149-Y155 WeakPolarHBondContact CB-O 3.38Å; S150-Y155 PolarHBondContact N-O 3.14Å; S150-Y155 PolarHBondContact O-N 3.05Å; S153-Y155 PolarHBondContact O-N 3.4Å; S153-Y155 VanDerWaalsContact O-N 3.15Å; S153-Y155 VanDerWaalsContact OG-CB 3.3Å; S153-Y155 WeakPolarHBondContact OG-CB 3.32Å; Y155-V157 PolarHBondContact O-N 2.76Å; Y155-V157 VanDerWaalsContact O-N 3.08Å
156	N	91	Very high	91.4	Very high	30 Å²	30	40.6 Å²	40.6	16%	0.16	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	15.1	177.1	-67.9	-19	0	0	0	116.1	I147 E148 M149 N154 E158 K159 P160	I147-N156 HydrophobicContact CG2-CB 4.21Å; E148-N156 VanDerWaalsContact O-CB 3.31Å; E148-N156 WeakPolarHBondContact O-CB 3.37Å; E148-N156 PolarHBondContact O-ND2 3.09Å; M149-N156 HydrophobicContact CB-CB 4.13Å; N154-N156 PolarHBondContact O-N 2.7Å; N156-E158 PolarHBondContact O-N 2.94Å; N156-K159 HydrophobicContact CB-CD 3.9Å; N156-K159 HydrophobicContact CB-CG 4.28Å; N156-K159 PolarHBondContact O-N 2.85Å; N156-K159 VanDerWaalsContact O-N 3.16Å; N156-K159 WeakPolarHBondContact OD1-CD 3.29Å; N156-K159 WeakPolarHBondContact OD1-CE 3.24Å; N156-K159 PolarHBondContact OD1-NZ 2.68Å; N156-P160 VanDerWaalsContact O-CD 3.31Å; N156-P160 WeakPolarHBondContact O-CD 3.39Å
157	V	90.7	Very high	91.8	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.9	-173	-58.9	0	0	0	0	113.1	L26 H30 M149 S150 N154 Y155 P160	L26-V157 HydrophobicContact CD1-CB 3.92Å; L26-V157 HydrophobicContact CD1-CG1 4.35Å; H30-V157 PolarHBondContact CE1-O 2.76Å; M149-V157 HydrophobicContact CE-CG1 4.16Å; S150-V157 WeakPolarHBondContact O-CG1 3.47Å; N154-V157 VanDerWaalsContact OD1-CG2 3.29Å; N154-V157 WeakPolarHBondContact OD1-CG2 3.5Å; Y155-V157 PolarHBondContact O-N 2.76Å; Y155-V157 VanDerWaalsContact O-N 3.08Å; V157-P160 WeakPolarHBondContact O-CD 2.92Å
158	E	91.1	Very high	92.1	Very high	104 Å²	104	45 Å²	45	49%	0.486	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-26	179.8	-64.6	178.4	177.2	0	0	113.3	N156 P160 F161 V162 L176	N156-E158 PolarHBondContact O-N 2.94Å; E158-P160 VanDerWaalsContact C-CD 3.46Å; E158-F161 PolarHBondContact O-N 3.37Å; E158-F161 VanDerWaalsContact O-N 3.07Å; E158-V162 WeakPolarHBondContact O-CG2 3.37Å; E158-V162 PolarHBondContact O-N 2.82Å; E158-L176 HydrophobicContact CB-CD1 4.19Å; E158-L176 HydrophobicContact CG-CD1 4.37Å
159	K	92.1	Very high	92.3	Very high	106 Å²	106	45.2 Å²	45.2	46%	0.461	21%	0.214	S	C	.	.	H	α-helix	trans	-57.5	-40.1	-172.1	-67.7	-173.2	175.2	167.4	0	114	I147 N156 V162 Y163	I147-K159 HydrophobicContact CD1-CB 3.81Å; I147-K159 HydrophobicContact CG2-CB 4.32Å; N156-K159 HydrophobicContact CB-CD 3.9Å; N156-K159 HydrophobicContact CB-CG 4.28Å; N156-K159 PolarHBondContact O-N 2.85Å; N156-K159 VanDerWaalsContact O-N 3.16Å; N156-K159 WeakPolarHBondContact OD1-CD 3.29Å; N156-K159 WeakPolarHBondContact OD1-CE 3.24Å; N156-K159 PolarHBondContact OD1-NZ 2.68Å; K159-V162 PolarHBondContact O-N 3.35Å; K159-Y163 WeakPolarHBondContact O-CB 3.27Å; K159-Y163 PolarHBondContact O-N 2.86Å
160	P	94.6	Very high	92.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-48	173.9	-25.1	34.4	0	0	0	112.4	I87 V118 C120 I147 M149 N156 V157 E158 Y163 L164	I87-P160 HydrophobicContact CD1-CB 3.77Å; I87-P160 HydrophobicContact CG1-CB 4.35Å; V118-P160 HydrophobicContact CB-CB 4.47Å; V118-P160 HydrophobicContact CG1-CB 4Å; V118-P160 HydrophobicContact CG1-CG 4.41Å; C120-P160 WeakPolarHBondContact SG-CG 3.35Å; I147-P160 HydrophobicContact CD1-CB 4.34Å; I147-P160 HydrophobicContact CD1-CG 3.94Å; I147-P160 HydrophobicContact CG2-CG 4.43Å; M149-P160 HydrophobicContact SD-CG 4.45Å; N156-P160 VanDerWaalsContact O-CD 3.31Å; N156-P160 WeakPolarHBondContact O-CD 3.39Å; V157-P160 WeakPolarHBondContact O-CD 2.92Å; E158-P160 VanDerWaalsContact C-CD 3.46Å; P160-Y163 PolarHBondContact O-N 2.72Å; P160-L164 WeakPolarHBondContact O-CB 3.33Å; P160-L164 VanDerWaalsContact O-CG 3.28Å; P160-L164 WeakPolarHBondContact O-CG 3.34Å; P160-L164 PolarHBondContact O-N 3.47Å
161	F	94.8	Very high	92.6	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-43.3	-178.3	-60.5	-79.4	0	0	0	111.7	L13 L26 H30 L50 F52 I61 V63 I87 E158 Y163 L164 L165	L13-F161 HydrophobicContact CD1-CD1 4.18Å; L13-F161 HydrophobicContact CD1-CE1 4.06Å; L26-F161 HydrophobicContact CD1-CE2 4.15Å; L26-F161 HydrophobicContact CD2-CE2 4.31Å; L26-F161 HydrophobicContact CD2-CZ 4.36Å; L26-F161 HydrophobicContact CG-CE2 4.29Å; L26-F161 HydrophobicContact CG-CZ 4.4Å; H30-F161 AromaticContact CE1-CD2 3.65Å; H30-F161 AromaticContact CE1-CE2 3.28Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.44Å; H30-F161 AromaticContact ND1-CE2 3.63Å; H30-F161 AromaticContact NE2-CD2 3.49Å; H30-F161 WeakPolarHBondContact NE2-CD2 3.21Å; H30-F161 AromaticContact NE2-CE2 3.58Å; L50-F161 HydrophobicContact CD1-CD1 4.47Å; L50-F161 HydrophobicContact CD1-CE1 3.75Å; L50-F161 HydrophobicContact CD1-CZ 3.9Å; F52-F161 HydrophobicContact CD1-CB 4.46Å; F52-F161 HydrophobicContact CE1-CB 3.59Å; F52-F161 HydrophobicContact CE1-CD1 4.37Å; F52-F161 HydrophobicContact CE1-CD2 4.44Å; F52-F161 AromaticContact CE1-CG 3.9Å; F52-F161 HydrophobicContact CE1-CG 3.9Å; F52-F161 HydrophobicContact CE2-CB 4.43Å; F52-F161 HydrophobicContact CE2-CD1 4.13Å; F52-F161 HydrophobicContact CE2-CG 4.45Å; F52-F161 HydrophobicContact CZ-CB 3.58Å; F52-F161 AromaticContact CZ-CD1 3.53Å; F52-F161 HydrophobicContact CZ-CD1 3.53Å; F52-F161 HydrophobicContact CZ-CD2 4.22Å; F52-F161 HydrophobicContact CZ-CE1 4.24Å; F52-F161 AromaticContact CZ-CG 3.5Å; F52-F161 HydrophobicContact CZ-CG 3.5Å; I61-F161 HydrophobicContact CD1-CD1 4.07Å; V63-F161 HydrophobicContact CG2-CE1 4.18Å; I87-F161 HydrophobicContact CD1-CE1 4.16Å; I87-F161 HydrophobicContact CD1-CZ 4.18Å; E158-F161 PolarHBondContact O-N 3.37Å; E158-F161 VanDerWaalsContact O-N 3.07Å; F161-Y163 PolarHBondContact O-N 2.77Å; F161-L164 PolarHBondContact O-N 3.42Å; F161-L165 WeakPolarHBondContact O-CB 2.9Å; F161-L165 WeakPolarHBondContact O-CG 3.42Å; F161-L165 PolarHBondContact O-N 3.46Å
162	V	93.8	Very high	92.8	Very high	19 Å²	19	54.7 Å²	54.7	12%	0.115	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-43.8	176.9	177.6	0	0	0	0	111.7	E158 K159 L165 R166 L176	E158-V162 WeakPolarHBondContact O-CG2 3.37Å; E158-V162 PolarHBondContact O-N 2.82Å; K159-V162 PolarHBondContact O-N 3.35Å; V162-L165 PolarHBondContact O-N 2.98Å; V162-R166 WeakPolarHBondContact O-CB 3.17Å; V162-R166 VanDerWaalsContact O-CG 3.27Å; V162-R166 WeakPolarHBondContact O-CG 3.36Å; V162-R166 PolarHBondContact O-N 3.2Å; V162-L176 HydrophobicContact CG2-CD1 3.56Å; V162-L176 HydrophobicContact CG2-CD2 4.08Å; V162-L176 HydrophobicContact CG2-CG 3.57Å
163	Y	94.1	Very high	93.1	Very high	40 Å²	40	52.6 Å²	52.6	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-46.7	176.5	175.5	-90.9	0	0	0	111.4	V118 N143 Y145 K159 P160 F161 R166 K167	V118-Y163 HydrophobicContact CG2-CD1 3.32Å; V118-Y163 HydrophobicContact CG2-CE1 3.89Å; V118-Y163 HydrophobicContact CG2-CG 4.18Å; N143-Y163 PolarHBondContact OD1-OH 2.83Å; Y145-Y163 AromaticContact CD1-CD2 3.77Å; Y145-Y163 HydrophobicContact CD1-CD2 3.77Å; Y145-Y163 HydrophobicContact CD1-CE2 4.11Å; Y145-Y163 AromaticContact CD1-CG 3.99Å; Y145-Y163 HydrophobicContact CD1-CG 3.99Å; Y145-Y163 HydrophobicContact CD2-CE2 4.38Å; Y145-Y163 HydrophobicContact CE1-CD2 4.29Å; Y145-Y163 HydrophobicContact CG-CD2 4.03Å; Y145-Y163 AromaticContact CG-CE2 3.87Å; Y145-Y163 HydrophobicContact CG-CE2 3.87Å; Y145-Y163 HydrophobicContact CG-CG 4.47Å; K159-Y163 WeakPolarHBondContact O-CB 3.27Å; K159-Y163 PolarHBondContact O-N 2.86Å; P160-Y163 PolarHBondContact O-N 2.72Å; F161-Y163 PolarHBondContact O-N 2.77Å; Y163-R166 PolarHBondContact O-N 3.43Å; Y163-K167 HydrophobicContact CD1-CG 4.37Å; Y163-K167 HydrophobicContact CE1-CG 3.95Å; Y163-K167 HydrophobicContact CE2-CG 4.47Å; Y163-K167 WeakPolarHBondContact O-CG 3.36Å; Y163-K167 PolarHBondContact O-N 2.6Å; Y163-K167 VanDerWaalsContact O-N 3.11Å; Y163-K167 VanDerWaalsContact OH-CE 3.26Å; Y163-K167 WeakPolarHBondContact OH-CE 3.19Å
164	L	95.5	Very high	93.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-45.3	179.5	-70.2	176.3	0	0	0	111.5	L13 C85 I87 P116 V118 P160 F161 R166 K167 L168	L13-L164 HydrophobicContact CD1-CD1 3.52Å; L13-L164 HydrophobicContact CG-CD1 4.47Å; C85-L164 HydrophobicContact CB-CD1 4.22Å; C85-L164 HydrophobicContact CB-CD2 3.87Å; C85-L164 HydrophobicContact CB-CG 4.43Å; I87-L164 HydrophobicContact CD1-CD1 4.24Å; I87-L164 HydrophobicContact CG1-CD1 3.81Å; P116-L164 HydrophobicContact CB-CD2 3.81Å; V118-L164 HydrophobicContact CG2-CD1 4.3Å; V118-L164 HydrophobicContact CG2-CD2 3.75Å; V118-L164 HydrophobicContact CG2-CG 3.76Å; P160-L164 WeakPolarHBondContact O-CB 3.33Å; P160-L164 VanDerWaalsContact O-CG 3.28Å; P160-L164 WeakPolarHBondContact O-CG 3.34Å; P160-L164 PolarHBondContact O-N 3.47Å; F161-L164 PolarHBondContact O-N 3.42Å; L164-R166 PolarHBondContact O-N 2.95Å; L164-K167 PolarHBondContact O-N 2.88Å; L164-K167 VanDerWaalsContact O-N 3.13Å; L164-L168 WeakPolarHBondContact O-CB 3.28Å; L164-L168 VanDerWaalsContact O-CG 3.23Å; L164-L168 WeakPolarHBondContact O-CG 3.36Å; L164-L168 PolarHBondContact O-N 2.81Å
165	L	95.9	Very high	93.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-45.3	175.8	-76.1	170	0	0	0	111.9	F11 F52 F59 I61 F161 V162 K167 L168 V169 L174	F11-L165 HydrophobicContact CD2-CD2 4.14Å; F11-L165 HydrophobicContact CE2-CD2 4.21Å; F52-L165 HydrophobicContact CB-CD1 3.76Å; F52-L165 HydrophobicContact CD1-CD1 4.21Å; F52-L165 HydrophobicContact CD2-CD1 4.12Å; F52-L165 HydrophobicContact CG-CD1 3.76Å; F59-L165 HydrophobicContact CB-CD2 3.83Å; F59-L165 HydrophobicContact CG-CD2 4.21Å; I61-L165 HydrophobicContact CD1-CD1 4.43Å; I61-L165 HydrophobicContact CD1-CD2 3.96Å; I61-L165 HydrophobicContact CD1-CG 3.98Å; I61-L165 HydrophobicContact CG1-CD2 4.21Å; F161-L165 WeakPolarHBondContact O-CB 2.9Å; F161-L165 WeakPolarHBondContact O-CG 3.42Å; F161-L165 PolarHBondContact O-N 3.46Å; V162-L165 PolarHBondContact O-N 2.98Å; L165-K167 VanDerWaalsContact C-N 3.27Å; L165-K167 PolarHBondContact O-N 3.29Å; L165-L168 PolarHBondContact O-N 3.3Å; L165-V169 VanDerWaalsContact O-CB 3.27Å; L165-V169 WeakPolarHBondContact O-CB 3.23Å; L165-V169 VanDerWaalsContact O-CG2 3.27Å; L165-V169 WeakPolarHBondContact O-CG2 3.36Å; L165-V169 PolarHBondContact O-N 2.99Å; L165-L174 HydrophobicContact CB-CD1 4.26Å; L165-L174 HydrophobicContact CB-CD2 4.03Å
166	R	95.5	Very high	93.8	Very high	90 Å²	90	48.3 Å²	48.3	34%	0.34	26%	0.259	S	S	.	.	H	α-helix	trans	-57.3	-41.2	175.4	-74.6	171.2	176.2	173.3	-0.1	112.2	V162 Y163 L164 G170 D171 P172 L174	V162-R166 WeakPolarHBondContact O-CB 3.17Å; V162-R166 VanDerWaalsContact O-CG 3.27Å; V162-R166 WeakPolarHBondContact O-CG 3.36Å; V162-R166 PolarHBondContact O-N 3.2Å; Y163-R166 PolarHBondContact O-N 3.43Å; L164-R166 PolarHBondContact O-N 2.95Å; R166-G170 WeakPolarHBondContact O-CA 3.4Å; R166-G170 PolarHBondContact O-N 3.2Å; R166-D171 WeakPolarHBondContact CG-O 3.45Å; R166-D171 PolarHBondContact O-N 2.93Å; R166-P172 PolarHBondContact NE-O 3.21Å; R166-L174 HydrophobicContact CG-CB 3.94Å; R166-L174 HydrophobicContact CG-CD2 4.43Å; R166-L174 VanDerWaalsContact CZ-O 3.29Å; R166-L174 PolarHBondContact NE-O 3.38Å; R166-L174 PolarHBondContact NH2-O 3.19Å
167	K	95	Very high	93.7	Very high	100 Å²	100	50.2 Å²	50.2	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-71.6	-41.2	178.4	-69.8	-63.7	-172.5	176.1	0	112.7	P116 Y163 L164 L165	P116-K167 HydrophobicContact CB-CB 3.98Å; P116-K167 HydrophobicContact CG-CB 3.95Å; Y163-K167 HydrophobicContact CD1-CG 4.37Å; Y163-K167 HydrophobicContact CE1-CG 3.95Å; Y163-K167 HydrophobicContact CE2-CG 4.47Å; Y163-K167 WeakPolarHBondContact O-CG 3.36Å; Y163-K167 PolarHBondContact O-N 2.6Å; Y163-K167 VanDerWaalsContact O-N 3.11Å; Y163-K167 VanDerWaalsContact OH-CE 3.26Å; Y163-K167 WeakPolarHBondContact OH-CE 3.19Å; L164-K167 PolarHBondContact O-N 2.88Å; L164-K167 VanDerWaalsContact O-N 3.13Å; L165-K167 VanDerWaalsContact C-N 3.27Å; L165-K167 PolarHBondContact O-N 3.29Å
168	L	95.1	Very high	92.9	Very high	42 Å²	42	58.8 Å²	58.8	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-71.7	-41.1	-178.6	-71.1	166.9	0	0	0	112.4	F11 Q84 C85 P116 L164 L165	F11-L168 HydrophobicContact CB-CD1 3.96Å; F11-L168 HydrophobicContact CD1-CB 4.17Å; F11-L168 HydrophobicContact CD1-CD1 3.96Å; F11-L168 HydrophobicContact CD1-CD2 4.15Å; F11-L168 HydrophobicContact CD1-CG 4.33Å; F11-L168 HydrophobicContact CD2-CD1 4.1Å; F11-L168 HydrophobicContact CE1-CB 3.87Å; F11-L168 HydrophobicContact CE1-CD1 4.49Å; F11-L168 HydrophobicContact CE1-CD2 4.43Å; F11-L168 HydrophobicContact CE2-CB 4.27Å; F11-L168 HydrophobicContact CG-CD1 3.74Å; F11-L168 HydrophobicContact CZ-CB 3.92Å; Q84-L168 HydrophobicContact CB-CD2 4.09Å; C85-L168 HydrophobicContact CB-CD1 4.04Å; C85-L168 HydrophobicContact CB-CD2 4.33Å; C85-L168 HydrophobicContact CB-CG 4.47Å; P116-L168 HydrophobicContact CG-CD2 4.41Å; L164-L168 WeakPolarHBondContact O-CB 3.28Å; L164-L168 VanDerWaalsContact O-CG 3.23Å; L164-L168 WeakPolarHBondContact O-CG 3.36Å; L164-L168 PolarHBondContact O-N 2.81Å; L165-L168 PolarHBondContact O-N 3.3Å
169	V	96	Very high	91.6	Very high	51 Å²	51	57.6 Å²	57.6	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-78.8	-23.5	177.9	178.2	0	0	0	0	111.4	F11 F59 L165 D171 L174	F11-V169 HydrophobicContact CE2-CG2 4.29Å; F11-V169 HydrophobicContact CZ-CG2 4.3Å; F59-V169 HydrophobicContact CD1-CG2 4.15Å; F59-V169 HydrophobicContact CE1-CG2 3.59Å; F59-V169 HydrophobicContact CE2-CG2 4.23Å; F59-V169 HydrophobicContact CZ-CG1 4.16Å; F59-V169 HydrophobicContact CZ-CG2 3.63Å; L165-V169 VanDerWaalsContact O-CB 3.27Å; L165-V169 WeakPolarHBondContact O-CB 3.23Å; L165-V169 VanDerWaalsContact O-CG2 3.27Å; L165-V169 WeakPolarHBondContact O-CG2 3.36Å; L165-V169 PolarHBondContact O-N 2.99Å; V169-D171 VanDerWaalsContact C-N 3.31Å; V169-D171 HydrophobicContact CG1-CB 4.1Å; V169-L174 HydrophobicContact CB-CD1 4.1Å; V169-L174 HydrophobicContact CG1-CD1 4.23Å; V169-L174 HydrophobicContact CG2-CD1 3.89Å
170	G	95.3	Very high	89.8	Confident	62 Å²	62	56.1 Å²	56.1	64%	0.639	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	18.9	-175.5	0	0	0	0	0	113.7	R166	R166-G170 WeakPolarHBondContact O-CA 3.4Å; R166-G170 PolarHBondContact O-N 3.2Å
171	D	95.2	Very high	87.7	Confident	31 Å²	31	61 Å²	61	17%	0.166	36%	0.356	C	S	.	.			trans	-117.6	104.1	179	-174	-7.5	0	0	0	111.1	R56 R166 V169 S173 L174	R56-D171 IonicContact CZ-OD2 3.85Å; R56-D171 IonicContact NE-OD2 2.98Å; R56-D171 PolarHBondContact NE-OD2 2.85Å; R56-D171 IonicContact NH2-OD2 3.2Å; R56-D171 PolarHBondContact NH2-OD2 3.39Å; R166-D171 WeakPolarHBondContact CG-O 3.45Å; R166-D171 PolarHBondContact O-N 2.93Å; V169-D171 VanDerWaalsContact C-N 3.31Å; V169-D171 HydrophobicContact CG1-CB 4.1Å; D171-S173 VanDerWaalsContact CG-OG 3.3Å; D171-S173 PolarHBondContact O-N 3.13Å; D171-S173 WeakPolarHBondContact OD1-CA 3.05Å; D171-S173 WeakPolarHBondContact OD1-CB 3.12Å; D171-S173 PolarHBondContact OD1-N 3.17Å; D171-S173 PolarHBondContact OD1-OG 3.05Å; D171-S173 PolarHBondContact OD2-OG 3.33Å; D171-L174 HydrophobicContact CB-CB 4.43Å; D171-L174 WeakPolarHBondContact O-CB 3.19Å; D171-L174 PolarHBondContact O-N 3.07Å
172	P	93.1	Very high	85.6	Confident	108 Å²	108	67.4 Å²	67.4	70%	0.701	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23	176.1	-22.1	33.7	0	0	0	114.3	R166 L174	R166-P172 PolarHBondContact NE-O 3.21Å; P172-L174 VanDerWaalsContact C-N 3.31Å
173	S	94.4	Very high	83.4	Confident	56 Å²	56	73.9 Å²	73.9	39%	0.392	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	0.8	-179	74.6	0	0	0	0	113.7	N55 R56 D171 Q175	N55-S173 PolarHBondContact ND2-O 2.95Å; N55-S173 VanDerWaalsContact ND2-O 3.09Å; R56-S173 PolarHBondContact NH2-OG 2.79Å; D171-S173 VanDerWaalsContact CG-OG 3.3Å; D171-S173 PolarHBondContact O-N 3.13Å; D171-S173 WeakPolarHBondContact OD1-CA 3.05Å; D171-S173 WeakPolarHBondContact OD1-CB 3.12Å; D171-S173 PolarHBondContact OD1-N 3.17Å; D171-S173 PolarHBondContact OD1-OG 3.05Å; D171-S173 PolarHBondContact OD2-OG 3.33Å; S173-Q175 PolarHBondContact O-N 3.19Å
174	L	94.6	Very high	81.6	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	44%	0.444	C	S	.	.			trans	-60.2	130.1	175.2	-176.2	155.9	0	0	0	110.3	T54 N55 F59 L165 R166 V169 D171 P172	T54-L174 HydrophobicContact CG2-CD1 4.38Å; T54-L174 HydrophobicContact CG2-CD2 3.88Å; T54-L174 HydrophobicContact CG2-CG 4.18Å; N55-L174 WeakPolarHBondContact OD1-CA 3.33Å; F59-L174 HydrophobicContact CD2-CD1 4.48Å; F59-L174 HydrophobicContact CE2-CD1 4.02Å; L165-L174 HydrophobicContact CB-CD1 4.26Å; L165-L174 HydrophobicContact CB-CD2 4.03Å; R166-L174 HydrophobicContact CG-CB 3.94Å; R166-L174 HydrophobicContact CG-CD2 4.43Å; R166-L174 VanDerWaalsContact CZ-O 3.29Å; R166-L174 PolarHBondContact NE-O 3.38Å; R166-L174 PolarHBondContact NH2-O 3.19Å; V169-L174 HydrophobicContact CB-CD1 4.1Å; V169-L174 HydrophobicContact CG1-CD1 4.23Å; V169-L174 HydrophobicContact CG2-CD1 3.89Å; D171-L174 HydrophobicContact CB-CB 4.43Å; D171-L174 WeakPolarHBondContact O-CB 3.19Å; D171-L174 PolarHBondContact O-N 3.07Å; P172-L174 VanDerWaalsContact C-N 3.31Å
175	Q	91.8	Very high	80	Confident	117 Å²	117	82.4 Å²	82.4	55%	0.547	48%	0.478	S	S	.	.			trans	-135.1	144.4	178.3	-67	179.5	3.7	0	0	109.7	T54 N55 S173	T54-Q175 CarbonylContact C-O 3.58Å; T54-Q175 WeakPolarHBondContact CA-O 3.44Å; T54-Q175 VanDerWaalsContact CB-O 3.31Å; T54-Q175 WeakPolarHBondContact CB-O 3.48Å; N55-Q175 PolarHBondContact N-O 3.4Å; N55-Q175 PolarHBondContact OD1-N 3.33Å; N55-Q175 PolarHBondContact OD1-O 2.95Å; S173-Q175 PolarHBondContact O-N 3.19Å
176	L	89.8	Confident	78.4	Confident	53 Å²	53	91.5 Å²	91.5	28%	0.277	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-66.9	140.7	169.3	-58.1	-177.7	0	0	0	109.1	F52 N53 T54 E158 V162	F52-L176 HydrophobicContact CB-CD2 4.08Å; F52-L176 HydrophobicContact CD1-CD1 4.49Å; F52-L176 HydrophobicContact CD1-CD2 3.86Å; F52-L176 HydrophobicContact CG-CD2 4.42Å; N53-L176 CarbonylContact O-C 3.59Å; N53-L176 WeakPolarHBondContact O-CA 3.27Å; T54-L176 HydrophobicContact CG2-CD2 4.15Å; E158-L176 HydrophobicContact CB-CD1 4.19Å; E158-L176 HydrophobicContact CG-CD1 4.37Å; V162-L176 HydrophobicContact CG2-CD1 3.56Å; V162-L176 HydrophobicContact CG2-CD2 4.08Å; V162-L176 HydrophobicContact CG2-CG 3.57Å
177	V	89.1	Confident	77.4	Confident	70 Å²	70	91 Å²	91	42%	0.424	53%	0.525	S	S	.	.			trans	-120.9	153	172.7	-59.8	0	0	0	0	108.4	N53 N55	N53-V177 HydrophobicContact CB-CG2 4.01Å; N53-V177 PolarHBondContact O-N 2.86Å; N55-V177 HydrophobicContact CB-CG1 4.15Å
178	Q	74.9	Confident	76.5	Confident	184 Å²	184	92 Å²	92	86%	0.86	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-61.6	141.5	171.8	-69	-173.5	-6	0	0	109.3
179	S	63.4	Low	75.5	Confident	80 Å²	80	95.8 Å²	95.8	56%	0.559	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-52.3	132.5	169.1	-50.1	0	0	0	0	108.4	N53 A181	N53-S179 WeakPolarHBondContact ND2-CB 3.39Å; N53-S179 PolarHBondContact ND2-OG 2.83Å; S179-A181 PolarHBondContact O-N 3.3Å
180	P	54.2	Low	74.9	Confident	74 Å²	74	96.6 Å²	96.6	48%	0.481	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-54.5	130.5	175.9	19.7	-29.3	0	0	0	108.9	I182	P180-I182 PolarHBondContact O-N 3.47Å
181	A	50.2	Low	74.2	Confident	103 Å²	103	99.9 Å²	99.9	85%	0.851	56%	0.562	S	S	*	*			trans	-63	101	177.5	0	0	0	0	0	108.4	S179 Q183	S179-A181 PolarHBondContact O-N 3.3Å; A181-Q183 PolarHBondContact O-N 2.95Å
182	I	51	Low	73.7	Confident	135 Å²	135	104.8 Å²	104.8	69%	0.692	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-67.3	120.9	172.4	-54.4	175.9	0	0	0	105.5	P180	P180-I182 PolarHBondContact O-N 3.47Å
183	Q	46.6	Very low	73.1	Confident	155 Å²	155	103.8 Å²	103.8	72%	0.724	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-56.6	130.4	171.7	-70.2	-171.2	13.1	0	0	107.6	A181	A181-Q183 PolarHBondContact O-N 2.95Å
184	P	57.7	Low	72.4	Confident	110 Å²	110	103.5 Å²	103.5	71%	0.714	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-51.9	138.6	176.4	20.9	-30.9	0	0	0	108.3	K186	P184-K186 PolarHBondContact O-N 3.35Å
185	P	61.5	Low	71.9	Confident	109 Å²	109	112.3 Å²	112.3	71%	0.708	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-52.3	133.9	179.8	21.5	-31.8	0	0	0	108.4	V187	P185-V187 PolarHBondContact O-N 3.42Å
186	K	61.3	Low	71.5	Confident	191 Å²	191	112 Å²	112	83%	0.83	60%	0.601	S	S	*	*			trans	-66.9	90.2	172.6	-70.7	-174.8	179.5	-178.6	0	107.6	P184 V188	P184-K186 PolarHBondContact O-N 3.35Å; K186-V188 PolarHBondContact O-N 3.06Å
187	V	74.9	Confident	71.2	Confident	80 Å²	80	113.2 Å²	113.2	49%	0.485	61%	0.61	S	S	.	*			trans	-72.2	116.2	172.4	-177.2	0	0	0	0	106.7	P185 F189	P185-V187 PolarHBondContact O-N 3.42Å; V187-F189 HydrophobicContact CB-CD2 4.48Å; V187-F189 HydrophobicContact CB-CE2 4.06Å; V187-F189 HydrophobicContact CB-CZ 4.44Å; V187-F189 HydrophobicContact CG1-CD2 4.27Å; V187-F189 HydrophobicContact CG1-CE1 4.44Å; V187-F189 HydrophobicContact CG1-CE2 4.05Å; V187-F189 HydrophobicContact CG1-CZ 4.15Å; V187-F189 PolarHBondContact O-N 3.43Å
188	V	77.3	Confident	71.1	Confident	121 Å²	121	116 Å²	116	73%	0.733	62%	0.618	S	S	*	*			trans	-80.5	105.9	169.1	-178.3	0	0	0	0	106.3	K186 T190	K186-V188 PolarHBondContact O-N 3.06Å; V188-T190 PolarHBondContact O-N 3.4Å
189	F	73.3	Confident	71.6	Confident	121 Å²	121	110.8 Å²	110.8	53%	0.531	60%	0.603	S	S	.	*			trans	-74.3	120	172.6	-71.2	-89.5	0	0	0	108.6	V187	V187-F189 HydrophobicContact CB-CD2 4.48Å; V187-F189 HydrophobicContact CB-CE2 4.06Å; V187-F189 HydrophobicContact CB-CZ 4.44Å; V187-F189 HydrophobicContact CG1-CD2 4.27Å; V187-F189 HydrophobicContact CG1-CE1 4.44Å; V187-F189 HydrophobicContact CG1-CE2 4.05Å; V187-F189 HydrophobicContact CG1-CZ 4.15Å; V187-F189 PolarHBondContact O-N 3.43Å
190	T	82.8	Confident	72.7	Confident	69 Å²	69	112.2 Å²	112.2	42%	0.423	60%	0.603	S	S	.	*			trans	-76.3	159.3	166.8	64.2	0	0	0	0	109.6	V188 E192 M193 S194	V188-T190 PolarHBondContact O-N 3.4Å; T190-E192 PolarHBondContact O-N 3.45Å; T190-M193 HydrophobicContact CG2-SD 4.41Å; T190-M193 PolarHBondContact O-N 2.92Å; T190-M193 WeakPolarHBondContact OG1-CG 3.46Å; T190-M193 PolarHBondContact OG1-N 2.94Å; T190-S194 PolarHBondContact O-N 3.16Å; T190-S194 PolarHBondContact O-OG 3.31Å; T190-S194 VanDerWaalsContact O-OG 3.06Å
191	D	80.8	Confident	74.2	Confident	130 Å²	130	114.2 Å²	114.2	70%	0.695	60%	0.604	S	S	*	*	H	α-helix	trans	-58.5	-33.7	178.2	-69.6	-25.6	0	0	0	112.3	R195	D191-R195 WeakPolarHBondContact O-CG 3.26Å; D191-R195 PolarHBondContact O-N 3.05Å; D191-R195 VanDerWaalsContact O-N 3.16Å
192	E	84	Confident	75.9	Confident	135 Å²	135	113.8 Å²	113.8	63%	0.631	59%	0.588	S	S	*	*	H	α-helix	trans	-70.1	-43.5	177	-169.7	173.8	-173.3	0	0	112.2	T190 S194 R195 Q196	T190-E192 PolarHBondContact O-N 3.45Å; E192-S194 VanDerWaalsContact C-N 3.31Å; E192-S194 PolarHBondContact O-N 3.46Å; E192-R195 PolarHBondContact O-N 3.23Å; E192-Q196 WeakPolarHBondContact O-CG 3.42Å; E192-Q196 PolarHBondContact O-N 3.35Å
193	M	80.5	Confident	77.6	Confident	86 Å²	86	111.6 Å²	111.6	42%	0.424	58%	0.575	S	S	.	*	H	α-helix	trans	-64.4	-38.2	175.5	-69.9	174.2	81.8	0	0	111.4	T190 Q196 V197	T190-M193 HydrophobicContact CG2-SD 4.41Å; T190-M193 PolarHBondContact O-N 2.92Å; T190-M193 WeakPolarHBondContact OG1-CG 3.46Å; T190-M193 PolarHBondContact OG1-N 2.94Å; M193-Q196 PolarHBondContact O-N 3.44Å; M193-V197 WeakPolarHBondContact O-CB 3.38Å; M193-V197 VanDerWaalsContact O-CG2 3.26Å; M193-V197 WeakPolarHBondContact O-CG2 3.34Å; M193-V197 PolarHBondContact O-N 3.34Å
194	S	80.9	Confident	79.3	Confident	51 Å²	51	107 Å²	107	36%	0.357	56%	0.564	S	S	.	*	H	α-helix	trans	-60.6	-47.5	176.1	-60.3	0	0	0	0	111.3	T190 E192 Q196 V197 E198	T190-S194 PolarHBondContact O-N 3.16Å; T190-S194 PolarHBondContact O-OG 3.31Å; T190-S194 VanDerWaalsContact O-OG 3.06Å; E192-S194 VanDerWaalsContact C-N 3.31Å; E192-S194 PolarHBondContact O-N 3.46Å; S194-Q196 PolarHBondContact O-N 2.95Å; S194-V197 PolarHBondContact O-N 3.48Å; S194-E198 WeakPolarHBondContact O-CB 3.22Å; S194-E198 PolarHBondContact O-N 3.18Å
195	R	84.7	Confident	80.5	Confident	185 Å²	185	108.7 Å²	108.7	70%	0.698	56%	0.56	S	S	*	*	H	α-helix	trans	-62.7	-39.3	177.2	-71.2	175.6	-172.5	174.4	4.4	112.7	D191 E192 E198 S199	D191-R195 WeakPolarHBondContact O-CG 3.26Å; D191-R195 PolarHBondContact O-N 3.05Å; D191-R195 VanDerWaalsContact O-N 3.16Å; E192-R195 PolarHBondContact O-N 3.23Å; R195-E198 PolarHBondContact O-N 2.95Å; R195-S199 WeakPolarHBondContact O-CB 3.37Å; R195-S199 PolarHBondContact O-N 3.27Å
196	Q	83.3	Confident	81.5	Confident	110 Å²	110	107.8 Å²	107.8	51%	0.514	56%	0.556	S	S	.	*	H	α-helix	trans	-66.7	-44.1	176.8	-74.8	178.5	-0.2	0	0	112	E192 M193 S194 E198 S199 L200	E192-Q196 WeakPolarHBondContact O-CG 3.42Å; E192-Q196 PolarHBondContact O-N 3.35Å; M193-Q196 PolarHBondContact O-N 3.44Å; S194-Q196 PolarHBondContact O-N 2.95Å; Q196-E198 VanDerWaalsContact C-N 3.3Å; Q196-E198 PolarHBondContact O-N 3.3Å; Q196-S199 PolarHBondContact O-N 3.44Å; Q196-L200 WeakPolarHBondContact O-CG 3.47Å; Q196-L200 PolarHBondContact O-N 2.98Å
197	V	82.6	Confident	82.5	Confident	78 Å²	78	104.4 Å²	104.4	47%	0.473	54%	0.541	S	S	.	.	H	α-helix	trans	-61.7	-41.3	175.8	170.3	0	0	0	0	110.6	M193 S194 L200 F201	M193-V197 WeakPolarHBondContact O-CB 3.38Å; M193-V197 VanDerWaalsContact O-CG2 3.26Å; M193-V197 WeakPolarHBondContact O-CG2 3.34Å; M193-V197 PolarHBondContact O-N 3.34Å; S194-V197 PolarHBondContact O-N 3.48Å; V197-L200 PolarHBondContact O-N 3.36Å; V197-F201 WeakPolarHBondContact O-CB 3.49Å; V197-F201 PolarHBondContact O-N 2.85Å
198	E	86.4	Confident	82.8	Confident	128 Å²	128	106.3 Å²	106.3	60%	0.598	56%	0.555	S	S	*	*	H	α-helix	trans	-64.4	-41.7	178.2	-139.9	169.6	-156.7	0	0	112.1	S194 R195 Q196 F201 N202	S194-E198 WeakPolarHBondContact O-CB 3.22Å; S194-E198 PolarHBondContact O-N 3.18Å; R195-E198 PolarHBondContact O-N 2.95Å; Q196-E198 VanDerWaalsContact C-N 3.3Å; Q196-E198 PolarHBondContact O-N 3.3Å; E198-F201 PolarHBondContact O-N 2.84Å; E198-N202 WeakPolarHBondContact O-CB 3.19Å; E198-N202 VanDerWaalsContact O-CG 3.28Å; E198-N202 PolarHBondContact O-N 2.96Å; E198-N202 PolarHBondContact O-ND2 3.33Å
199	S	86.2	Confident	82.8	Confident	76 Å²	76	108 Å²	108	53%	0.531	56%	0.559	S	S	.	*	H	α-helix	trans	-61.3	-50.6	174.3	-172.4	0	0	0	0	111.7	R195 Q196 F201 N202 E203	R195-S199 WeakPolarHBondContact O-CB 3.37Å; R195-S199 PolarHBondContact O-N 3.27Å; Q196-S199 PolarHBondContact O-N 3.44Å; S199-F201 VanDerWaalsContact C-N 3.29Å; S199-F201 PolarHBondContact O-N 3.42Å; S199-N202 PolarHBondContact O-N 3.34Å; S199-E203 PolarHBondContact O-N 3.46Å
200	L	85.6	Confident	82.8	Confident	109 Å²	109	107.6 Å²	107.6	57%	0.571	57%	0.569	S	S	*	*	H	α-helix	trans	-62.3	-37.3	178.1	-72.7	170.6	0	0	0	112	Q196 V197 E203 A204	Q196-L200 WeakPolarHBondContact O-CG 3.47Å; Q196-L200 PolarHBondContact O-N 2.98Å; V197-L200 PolarHBondContact O-N 3.36Å; L200-E203 PolarHBondContact O-N 3.38Å; L200-A204 WeakPolarHBondContact O-CB 3.48Å; L200-A204 PolarHBondContact O-N 3.41Å
201	F	85.9	Confident	82.1	Confident	116 Å²	116	108 Å²	108	51%	0.509	57%	0.571	S	S	.	*	H	α-helix	trans	-68.7	-39.8	178.4	-170.8	-109.7	0	0	0	112	V197 E198 S199 A204 K205	V197-F201 WeakPolarHBondContact O-CB 3.49Å; V197-F201 PolarHBondContact O-N 2.85Å; E198-F201 PolarHBondContact O-N 2.84Å; S199-F201 VanDerWaalsContact C-N 3.29Å; S199-F201 PolarHBondContact O-N 3.42Å; F201-A204 PolarHBondContact O-N 3.42Å; F201-K205 HydrophobicContact CD1-CD 4.16Å; F201-K205 HydrophobicContact CE1-CD 3.93Å; F201-K205 VanDerWaalsContact CE1-NZ 3.3Å; F201-K205 WeakPolarHBondContact O-CB 3.47Å; F201-K205 WeakPolarHBondContact O-CG 3.46Å; F201-K205 PolarHBondContact O-N 3.08Å
202	N	85.6	Confident	81.1	Confident	95 Å²	95	109.2 Å²	109.2	51%	0.508	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-37.6	174.3	-73	-27	0	0	0	111.8	E198 S199 K205 S206	E198-N202 WeakPolarHBondContact O-CB 3.19Å; E198-N202 VanDerWaalsContact O-CG 3.28Å; E198-N202 PolarHBondContact O-N 2.96Å; E198-N202 PolarHBondContact O-ND2 3.33Å; S199-N202 PolarHBondContact O-N 3.34Å; N202-K205 PolarHBondContact O-N 2.92Å; N202-S206 PolarHBondContact O-N 2.78Å; N202-S206 VanDerWaalsContact O-N 3.17Å
203	E	87.3	Confident	79.9	Confident	88 Å²	88	112.9 Å²	112.9	41%	0.411	59%	0.585	S	S	.	*	H	α-helix	trans	-67.1	-38.4	172.9	-162.8	-165	149	0	0	112.3	S199 L200 S206 K207	S199-E203 PolarHBondContact O-N 3.46Å; L200-E203 PolarHBondContact O-N 3.38Å; E203-S206 PolarHBondContact O-N 3.24Å; E203-S206 PolarHBondContact O-OG 3.01Å; E203-K207 PolarHBondContact O-N 3.12Å; E203-K207 WeakPolarHBondContact OE1-CE 3.41Å; E203-K207 IonicContact OE1-NZ 2.65Å; E203-K207 PolarHBondContact OE1-NZ 3.38Å
204	A	82.8	Confident	78.8	Confident	60 Å²	60	114.3 Å²	114.3	50%	0.496	60%	0.595	S	S	.	*	H	α-helix	trans	-67.5	-38.5	176.3	0	0	0	0	0	111.8	L200 F201 S206 K207	L200-A204 WeakPolarHBondContact O-CB 3.48Å; L200-A204 PolarHBondContact O-N 3.41Å; F201-A204 PolarHBondContact O-N 3.42Å; A204-S206 VanDerWaalsContact C-N 3.29Å; A204-S206 PolarHBondContact O-N 3.46Å; A204-K207 PolarHBondContact O-N 3.49Å
205	K	82.7	Confident	77.4	Confident	145 Å²	145	118.5 Å²	118.5	63%	0.63	61%	0.612	S	S	*	*	H	α-helix	trans	-65.5	-29.7	175	-83.7	-179.8	168.6	176.2	0	113.6	F201 N202 K207	F201-K205 HydrophobicContact CD1-CD 4.16Å; F201-K205 HydrophobicContact CE1-CD 3.93Å; F201-K205 VanDerWaalsContact CE1-NZ 3.3Å; F201-K205 WeakPolarHBondContact O-CB 3.47Å; F201-K205 WeakPolarHBondContact O-CG 3.46Å; F201-K205 PolarHBondContact O-N 3.08Å; N202-K205 PolarHBondContact O-N 2.92Å; K205-K207 VanDerWaalsContact C-N 3.31Å
206	S	81.8	Confident	75.8	Confident	89 Å²	89	117.2 Å²	117.2	62%	0.622	62%	0.619	S	S	*	*	H	α-helix	trans	-81.1	-14	178.8	67.7	0	0	0	0	113	N202 E203 A204	N202-S206 PolarHBondContact O-N 2.78Å; N202-S206 VanDerWaalsContact O-N 3.17Å; E203-S206 PolarHBondContact O-N 3.24Å; E203-S206 PolarHBondContact O-OG 3.01Å; A204-S206 VanDerWaalsContact C-N 3.29Å; A204-S206 PolarHBondContact O-N 3.46Å
207	K	83.9	Confident	73.7	Confident	121 Å²	121	123.8 Å²	123.8	53%	0.526	66%	0.656	S	S	.	*	S	Bend	trans	-85.5	127.9	173.2	-70.4	174.2	-172.4	168.9	0	109.8	E203 A204 K205	E203-K207 PolarHBondContact O-N 3.12Å; E203-K207 WeakPolarHBondContact OE1-CE 3.41Å; E203-K207 IonicContact OE1-NZ 2.65Å; E203-K207 PolarHBondContact OE1-NZ 3.38Å; A204-K207 PolarHBondContact O-N 3.49Å; K205-K207 VanDerWaalsContact C-N 3.31Å
208	P	79.6	Confident	73.3	Confident	119 Å²	119	126.1 Å²	126.1	77%	0.773	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-62	142.8	173.5	25.5	-31.4	0	0	0	109.7
209	L	77.4	Confident	72.6	Confident	158 Å²	158	126 Å²	126	83%	0.827	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-62.5	137	171.8	-70.3	169.1	0	0	0	108.7	T211	L209-T211 PolarHBondContact O-N 3.37Å
210	P	74.4	Confident	71.8	Confident	112 Å²	112	128.8 Å²	128.8	73%	0.727	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-57.7	135.8	177.1	22.9	-31.4	0	0	0	109.6
211	T	68.4	Low	71	Confident	76 Å²	76	129.9 Å²	129.9	47%	0.466	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-83.5	153.2	178.4	69.6	0	0	0	0	109.5	L209 Y213 D214	L209-T211 PolarHBondContact O-N 3.37Å; T211-Y213 PolarHBondContact O-N 2.88Å; T211-D214 PolarHBondContact N-OD2 3.17Å; T211-D214 VanDerWaalsContact N-OD2 3.12Å; T211-D214 PolarHBondContact O-N 3.36Å; T211-D214 VanDerWaalsContact O-N 3.08Å; T211-D214 PolarHBondContact OG1-OD2 2.71Å
212	I	60.1	Low	70.1	Confident	156 Å²	156	130.8 Å²	130.8	80%	0.8	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-10.6	-177.9	-54.1	167	0	0	0	111.7
213	Y	57.5	Low	69	Low	212 Å²	212	133.2 Å²	133.2	83%	0.831	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-5.6	179.5	-61.6	-73.8	0	0	0	114.6	T211 I215	T211-Y213 PolarHBondContact O-N 2.88Å; Y213-I215 PolarHBondContact O-N 2.96Å
214	D	57.3	Low	67.7	Low	117 Å²	117	136.4 Å²	136.4	63%	0.626	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	14.8	-176.2	-60.5	-51.3	0	0	0	113.8	T211	T211-D214 PolarHBondContact N-OD2 3.17Å; T211-D214 VanDerWaalsContact N-OD2 3.12Å; T211-D214 PolarHBondContact O-N 3.36Å; T211-D214 VanDerWaalsContact O-N 3.08Å; T211-D214 PolarHBondContact OG1-OD2 2.71Å
215	I	51.1	Low	66.6	Low	139 Å²	139	142.3 Å²	142.3	71%	0.713	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-6.8	-174.5	-61.5	177.7	0	0	0	113.8	Y213	Y213-I215 PolarHBondContact O-N 2.96Å
216	D	51.3	Low	65.2	Low	158 Å²	158	142.1 Å²	142.1	85%	0.845	76%	0.755	S	S	*	*			trans	-112.9	91.4	175.8	-75.3	-32.3	0	0	0	111.5
217	L	39.9	Very low	63.7	Low	248 Å²	248	146.9 Å²	146.9	100%	1.298	77%	0.767	S	S	*	*			trans	-155.6	0	150.7	-101.1	166.2	0	0	0	110.4

Retrieved 217 of 217 residues in 124 ms (Link to these results)

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