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GTP-binding nuclear protein Ran-like

GTP-binding protein involved in nucleocytoplasmic transport. Required for the import of protein into the nucleus and also for RNA export.

AlphaFold DB (D7PER7), UniProt , Accession Q9VUN3, 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 73.3 ms (Link to these results)

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