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Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase

Catalyzes the third of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme catalyzes the dehydration of the 3-hydroxyacyl-CoA intermediate into trans-2,3-enoyl-CoA, within each cycle of fatty acid elongation. Thereby, it participates to the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession Q15ES5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 215 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	64.3	Low	87.4	Confident	151 Å²	151	85.6 Å²	85.6	74%	0.744	44%	0.436	S	S	*	.				0	130.4	0	-167.1	164.1	-178.7	0	0	107.7	K5 I123	M1-K5 HydrophobicContact CE-CB 3.99Å; M1-K5 HydrophobicContact CG-CB 3.82Å; M1-I123 HydrophobicContact CE-CG2 3.03Å
2	S	84	Confident	87.9	Confident	73 Å²	73	79.3 Å²	79.3	51%	0.51	40%	0.404	S	S	.	.			trans	-59	142.1	179.3	177.6	0	0	0	0	110.2	K4 K5 S6	S2-K4 PolarHBondContact O-N 3.05Å; S2-K4 VanDerWaalsContact O-N 3.09Å; S2-K5 WeakPolarHBondContact O-CA 3.46Å; S2-K5 WeakPolarHBondContact O-CB 3.44Å; S2-K5 PolarHBondContact O-N 2.85Å; S2-S6 PolarHBondContact O-N 3.09Å
3	I	88.9	Confident	88.4	Confident	149 Å²	149	74.9 Å²	74.9	76%	0.764	39%	0.391	S	S	*	.	H	α-helix	trans	-47.9	-42.5	-179.8	-64.2	168.8	0	0	0	110.9	K5 S6 Y7	I3-K5 PolarHBondContact O-N 3.41Å; I3-S6 PolarHBondContact O-N 3.31Å; I3-Y7 WeakPolarHBondContact O-CB 3.42Å; I3-Y7 PolarHBondContact O-N 3.07Å
4	K	87.5	Confident	88.9	Confident	140 Å²	140	77.6 Å²	77.6	61%	0.609	40%	0.398	S	S	*	.	H	α-helix	trans	-57.2	-44.7	176.6	-63.8	-175.4	178.8	-174	0	112.8	S2 L8 L65	S2-K4 PolarHBondContact O-N 3.05Å; S2-K4 VanDerWaalsContact O-N 3.09Å; K4-L8 WeakPolarHBondContact O-CB 3.5Å; K4-L8 WeakPolarHBondContact O-CG 3.38Å; K4-L8 PolarHBondContact O-N 2.91Å; K4-L65 HydrophobicContact CB-CD1 4.12Å; K4-L65 HydrophobicContact CD-CD1 4.08Å; K4-L65 HydrophobicContact CG-CD1 4.13Å
5	K	86.9	Confident	89.3	Confident	81 Å²	81	72.4 Å²	72.4	35%	0.352	37%	0.371	S	S	.	.	H	α-helix	trans	-69.8	-38.4	179.2	-68.8	-168.7	177.2	-166.6	0	111.9	M1 S2 I3 L8 G9 I123	M1-K5 HydrophobicContact CE-CB 3.99Å; M1-K5 HydrophobicContact CG-CB 3.82Å; S2-K5 WeakPolarHBondContact O-CA 3.46Å; S2-K5 WeakPolarHBondContact O-CB 3.44Å; S2-K5 PolarHBondContact O-N 2.85Å; I3-K5 PolarHBondContact O-N 3.41Å; K5-L8 PolarHBondContact O-N 3.39Å; K5-G9 PolarHBondContact O-N 3.29Å; K5-I123 HydrophobicContact CB-CG2 4.41Å
6	S	89	Confident	89.7	Confident	52 Å²	52	70.5 Å²	70.5	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-47.2	177.2	-163.1	0	0	0	0	110.9	S2 I3 L8 G9 I10	S2-S6 PolarHBondContact O-N 3.09Å; I3-S6 PolarHBondContact O-N 3.31Å; S6-L8 PolarHBondContact O-N 2.98Å; S6-G9 PolarHBondContact O-N 3.37Å; S6-I10 WeakPolarHBondContact O-CG1 3.34Å; S6-I10 PolarHBondContact O-N 2.94Å
7	Y	92.2	Very high	90.1	Very high	109 Å²	109	74.9 Å²	74.9	43%	0.427	38%	0.383	S	S	.	.	H	α-helix	trans	-57.7	-49.2	174.8	167.7	-97.4	0	0	0	111.9	I3 G9 I10 Y11 H60 L65	I3-Y7 WeakPolarHBondContact O-CB 3.42Å; I3-Y7 PolarHBondContact O-N 3.07Å; Y7-G9 VanDerWaalsContact C-N 3.3Å; Y7-G9 PolarHBondContact O-N 3.47Å; Y7-I10 PolarHBondContact O-N 3.19Å; Y7-Y11 WeakPolarHBondContact O-CB 3.49Å; Y7-Y11 PolarHBondContact O-N 2.97Å; Y7-H60 AromaticContact CE1-CE1 3.89Å; Y7-H60 AromaticContact CE1-NE2 3.35Å; Y7-H60 VanDerWaalsContact CE1-NE2 3.35Å; Y7-H60 WeakPolarHBondContact CE1-NE2 3.31Å; Y7-H60 AromaticContact CZ-NE2 3.64Å; Y7-H60 PolarHBondContact OH-NE2 3.26Å; Y7-L65 HydrophobicContact CD1-CD2 4.16Å; Y7-L65 HydrophobicContact CE1-CD2 4.01Å
8	L	91	Very high	90.4	Very high	21 Å²	21	71 Å²	71	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-38.4	176.1	-77.6	174	0	0	0	112.3	K4 K5 S6 N12 L65 V66 I123	K4-L8 WeakPolarHBondContact O-CB 3.5Å; K4-L8 WeakPolarHBondContact O-CG 3.38Å; K4-L8 PolarHBondContact O-N 2.91Å; K5-L8 PolarHBondContact O-N 3.39Å; S6-L8 PolarHBondContact O-N 2.98Å; L8-N12 WeakPolarHBondContact O-CB 3.38Å; L8-N12 VanDerWaalsContact O-CG 3.27Å; L8-N12 PolarHBondContact O-N 3.24Å; L8-N12 PolarHBondContact O-ND2 2.84Å; L8-L65 HydrophobicContact CD1-CD2 4.26Å; L8-L65 HydrophobicContact CD1-CG 4.07Å; L8-L65 HydrophobicContact CD2-CD2 3.5Å; L8-L65 HydrophobicContact CD2-CG 4.16Å; L8-L65 HydrophobicContact CG-CD2 3.84Å; L8-L65 HydrophobicContact CG-CG 4.2Å; L8-V66 HydrophobicContact CD2-CG2 4.23Å; L8-I123 HydrophobicContact CB-CD1 3.69Å
9	G	90.9	Very high	90.7	Very high	19 Å²	19	67.4 Å²	67.4	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-46.8	177.6	0	0	0	0	0	111.6	K5 S6 Y7 G13	K5-G9 PolarHBondContact O-N 3.29Å; S6-G9 PolarHBondContact O-N 3.37Å; Y7-G9 VanDerWaalsContact C-N 3.3Å; Y7-G9 PolarHBondContact O-N 3.47Å; G9-G13 PolarHBondContact O-N 3.39Å
10	I	93.2	Very high	91	Very high	120 Å²	120	64.7 Å²	64.7	62%	0.615	34%	0.335	S	S	*	.	H	α-helix	trans	-64	-47.4	177.2	-65.4	165.8	0	0	0	110.7	S6 Y7 G13 F14	S6-I10 WeakPolarHBondContact O-CG1 3.34Å; S6-I10 PolarHBondContact O-N 2.94Å; Y7-I10 PolarHBondContact O-N 3.19Å; I10-G13 PolarHBondContact O-N 3.33Å; I10-F14 WeakPolarHBondContact O-CB 3.45Å; I10-F14 PolarHBondContact O-N 3.26Å
11	Y	93.7	Very high	91.2	Very high	27 Å²	27	67 Å²	67	11%	0.106	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-50.5	179	174.4	-93.8	0	0	0	111.9	Y7 G13 F14 Q15 L53 V56 E57 H60 Y116	Y7-Y11 WeakPolarHBondContact O-CB 3.49Å; Y7-Y11 PolarHBondContact O-N 2.97Å; Y11-G13 VanDerWaalsContact C-N 3.34Å; Y11-G13 PolarHBondContact O-N 3.01Å; Y11-F14 PolarHBondContact O-N 2.92Å; Y11-Q15 HydrophobicContact CD1-CG 4.37Å; Y11-Q15 HydrophobicContact CE1-CG 3.91Å; Y11-Q15 HydrophobicContact CE2-CG 4.21Å; Y11-Q15 WeakPolarHBondContact O-CB 3.44Å; Y11-Q15 WeakPolarHBondContact O-CG 3.37Å; Y11-Q15 PolarHBondContact O-N 3.5Å; Y11-Q15 PolarHBondContact OH-NE2 3.36Å; Y11-L53 PolarHBondContact OH-O 3.48Å; Y11-L53 VanDerWaalsContact OH-O 3.11Å; Y11-V56 HydrophobicContact CE2-CB 4.22Å; Y11-V56 HydrophobicContact CE2-CG1 4.19Å; Y11-E57 HydrophobicContact CE1-CG 4.04Å; Y11-E57 VanDerWaalsContact OH-CG 3.31Å; Y11-E57 WeakPolarHBondContact OH-CG 3.5Å; Y11-E57 PolarHBondContact OH-OE1 3.02Å; Y11-H60 AromaticContact CD1-CE1 3.94Å; Y11-Y116 HydrophobicContact CE1-CE1 4.46Å
12	N	93.7	Very high	92.7	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.053	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-35.7	179.8	-69.1	-53.2	0	0	0	111.8	L8 L16 Y116 V120	L8-N12 WeakPolarHBondContact O-CB 3.38Å; L8-N12 VanDerWaalsContact O-CG 3.27Å; L8-N12 PolarHBondContact O-N 3.24Å; L8-N12 PolarHBondContact O-ND2 2.84Å; N12-L16 VanDerWaalsContact O-CB 3.28Å; N12-L16 WeakPolarHBondContact O-CB 3.35Å; N12-L16 PolarHBondContact O-N 3.35Å; N12-Y116 HydrophobicContact CB-CD1 4.2Å; N12-Y116 WeakPolarHBondContact OD1-CD1 3.06Å; N12-V120 HydrophobicContact CB-CG2 3.74Å
13	G	94	Very high	93.3	Very high	22 Å²	22	57.4 Å²	57.4	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-44.6	174.2	0	0	0	0	0	112.4	G9 I10 Y11 L16 M17	G9-G13 PolarHBondContact O-N 3.39Å; I10-G13 PolarHBondContact O-N 3.33Å; Y11-G13 VanDerWaalsContact C-N 3.34Å; Y11-G13 PolarHBondContact O-N 3.01Å; G13-L16 WeakPolarHBondContact O-CB 3.36Å; G13-L16 PolarHBondContact O-N 3.5Å; G13-M17 WeakPolarHBondContact O-CG 3.15Å; G13-M17 PolarHBondContact O-N 3.02Å
14	F	95.8	Very high	93.6	Very high	112 Å²	112	53.3 Å²	53.3	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-46.2	176.1	179.6	-102.2	0	0	0	111.8	I10 Y11 M17 G18 F50 L53	I10-F14 WeakPolarHBondContact O-CB 3.45Å; I10-F14 PolarHBondContact O-N 3.26Å; Y11-F14 PolarHBondContact O-N 2.92Å; F14-M17 PolarHBondContact O-N 3.47Å; F14-G18 PolarHBondContact O-N 2.97Å; F14-F50 HydrophobicContact CD1-CE1 4.07Å; F14-F50 AromaticContact CE1-CE1 3.66Å; F14-F50 HydrophobicContact CE1-CE1 3.66Å; F14-F50 HydrophobicContact CE1-CZ 4.01Å; F14-F50 HydrophobicContact CZ-CE1 4.2Å; F14-F50 HydrophobicContact CZ-CZ 4.08Å; F14-L53 HydrophobicContact CE1-CD1 3.84Å
15	Q	95.2	Very high	94	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-45.7	174.9	-76.7	-76.7	10.8	0	0	112	Y11 M17 G18 W19 F50 L53 Y116	Y11-Q15 HydrophobicContact CD1-CG 4.37Å; Y11-Q15 HydrophobicContact CE1-CG 3.91Å; Y11-Q15 HydrophobicContact CE2-CG 4.21Å; Y11-Q15 WeakPolarHBondContact O-CB 3.44Å; Y11-Q15 WeakPolarHBondContact O-CG 3.37Å; Y11-Q15 PolarHBondContact O-N 3.5Å; Y11-Q15 PolarHBondContact OH-NE2 3.36Å; Q15-M17 VanDerWaalsContact C-N 3.35Å; Q15-M17 PolarHBondContact O-N 3.33Å; Q15-G18 PolarHBondContact O-N 2.9Å; Q15-G18 VanDerWaalsContact O-N 3.16Å; Q15-W19 PolarHBondContact O-N 3.27Å; Q15-F50 VanDerWaalsContact OE1-CD1 3.3Å; Q15-L53 VanDerWaalsContact NE2-CB 3.31Å; Q15-Y116 HydrophobicContact CB-CD1 3.77Å; Q15-Y116 HydrophobicContact CB-CD2 3.71Å; Q15-Y116 HydrophobicContact CB-CE1 3.58Å; Q15-Y116 HydrophobicContact CB-CE2 3.53Å; Q15-Y116 HydrophobicContact CB-CG 3.83Å; Q15-Y116 VanDerWaalsContact CB-CZ 3.44Å; Q15-Y116 HydrophobicContact CG-CD1 4.43Å; Q15-Y116 HydrophobicContact CG-CE1 3.82Å; Q15-Y116 HydrophobicContact CG-CE2 4.23Å; Q15-Y116 PolarHBondContact OE1-OH 2.95Å
16	L	95.4	Very high	94.3	Very high	42 Å²	42	43.9 Å²	43.9	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-47.6	176.9	176.4	59	0	0	0	112	N12 G13 G18 G20 M113 S117	N12-L16 VanDerWaalsContact O-CB 3.28Å; N12-L16 WeakPolarHBondContact O-CB 3.35Å; N12-L16 PolarHBondContact O-N 3.35Å; G13-L16 WeakPolarHBondContact O-CB 3.36Å; G13-L16 PolarHBondContact O-N 3.5Å; L16-G18 VanDerWaalsContact C-N 3.33Å; L16-G20 PolarHBondContact O-N 2.86Å; L16-M113 HydrophobicContact CD1-CB 3.97Å; L16-M113 HydrophobicContact CD1-CG 4.12Å; L16-M113 WeakPolarHBondContact CD1-O 3.36Å; L16-S117 VanDerWaalsContact CD1-OG 3.29Å; L16-S117 WeakPolarHBondContact CD1-OG 3.36Å
17	M	95.7	Very high	94.6	Very high	145 Å²	145	44.8 Å²	44.8	71%	0.714	23%	0.231	S	C	*	.	H	α-helix	trans	-63.6	-40.6	177.3	-69.9	176.9	67.2	0	0	111.6	G13 F14 Q15 G20 Y21	G13-M17 WeakPolarHBondContact O-CG 3.15Å; G13-M17 PolarHBondContact O-N 3.02Å; F14-M17 PolarHBondContact O-N 3.47Å; Q15-M17 VanDerWaalsContact C-N 3.35Å; Q15-M17 PolarHBondContact O-N 3.33Å; M17-G20 PolarHBondContact O-N 2.9Å; M17-Y21 WeakPolarHBondContact O-CB 3.33Å; M17-Y21 PolarHBondContact O-N 2.92Å
18	G	96	Very high	94.7	Very high	5 Å²	5	45.3 Å²	45.3	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-59	-52.4	177	0	0	0	0	0	114	F14 Q15 L16 G20 Y21 I22 F50	F14-G18 PolarHBondContact O-N 2.97Å; Q15-G18 PolarHBondContact O-N 2.9Å; Q15-G18 VanDerWaalsContact O-N 3.16Å; L16-G18 VanDerWaalsContact C-N 3.33Å; G18-G20 VanDerWaalsContact C-N 3.33Å; G18-G20 PolarHBondContact O-N 3.45Å; G18-Y21 WeakPolarHBondContact O-CB 3.39Å; G18-Y21 PolarHBondContact O-N 2.89Å; G18-I22 WeakPolarHBondContact O-CG1 3.38Å; G18-I22 PolarHBondContact O-N 3.44Å; G18-F50 VanDerWaalsContact CA-CE1 3.46Å
19	W	96	Very high	94.8	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-34.8	178.1	-74.1	101.7	0	0	0	112.5	Q15 Y21 I22 L23 L47 F50 W108 E112 M113 Y116	Q15-W19 PolarHBondContact O-N 3.27Å; W19-Y21 VanDerWaalsContact C-N 3.34Å; W19-I22 HydrophobicContact CD2-CD1 4.3Å; W19-I22 HydrophobicContact CE3-CD1 3.99Å; W19-I22 HydrophobicContact CZ3-CD1 4.35Å; W19-I22 PolarHBondContact O-N 3.31Å; W19-L23 WeakPolarHBondContact O-CB 3.35Å; W19-L23 PolarHBondContact O-N 3.01Å; W19-L47 HydrophobicContact CH2-CD1 3.93Å; W19-L47 HydrophobicContact CZ3-CD1 3.74Å; W19-F50 HydrophobicContact CZ2-CB 4.23Å; W19-W108 HydrophobicContact CH2-CB 4.27Å; W19-W108 HydrophobicContact CH2-CE3 4.32Å; W19-W108 HydrophobicContact CZ3-CB 3.95Å; W19-E112 HydrophobicContact CB-CB 4.04Å; W19-E112 HydrophobicContact CD2-CB 3.61Å; W19-E112 HydrophobicContact CD2-CG 3.77Å; W19-E112 HydrophobicContact CE3-CB 4.26Å; W19-E112 HydrophobicContact CE3-CG 4.24Å; W19-E112 HydrophobicContact CG-CB 3.49Å; W19-E112 VanDerWaalsContact CG-CB 3.49Å; W19-E112 HydrophobicContact CG-CG 4.16Å; W19-E112 HydrophobicContact CH2-CG 4.27Å; W19-E112 HydrophobicContact CZ2-CG 3.84Å; W19-E112 HydrophobicContact CZ3-CG 4.46Å; W19-M113 HydrophobicContact CB-CG 4.12Å; W19-Y116 AromaticContact CD1-CE2 3.48Å; W19-Y116 VanDerWaalsContact CD1-CE2 3.48Å; W19-Y116 AromaticContact NE1-CE2 3.66Å
20	G	96.5	Very high	94.8	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-40.3	170.4	0	0	0	0	0	112.8	L16 M17 G18 S24	L16-G20 PolarHBondContact O-N 2.86Å; M17-G20 PolarHBondContact O-N 2.9Å; G18-G20 VanDerWaalsContact C-N 3.33Å; G18-G20 PolarHBondContact O-N 3.45Å; G20-S24 WeakPolarHBondContact O-CB 3.35Å; G20-S24 PolarHBondContact O-N 3.47Å; G20-S24 PolarHBondContact O-OG 2.86Å
21	Y	96.2	Very high	94.7	Very high	114 Å²	114	42.4 Å²	42.4	45%	0.447	23%	0.226	S	C	.	.	H	α-helix	trans	-66.8	-45.9	176.1	-179.9	-99.6	0	0	0	111.9	M17 G18 W19 L23 S24 L25 F46	M17-Y21 WeakPolarHBondContact O-CB 3.33Å; M17-Y21 PolarHBondContact O-N 2.92Å; G18-Y21 WeakPolarHBondContact O-CB 3.39Å; G18-Y21 PolarHBondContact O-N 2.89Å; W19-Y21 VanDerWaalsContact C-N 3.34Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 2.79Å; Y21-S24 PolarHBondContact O-N 3.03Å; Y21-L25 HydrophobicContact CE1-CD2 3.97Å; Y21-L25 WeakPolarHBondContact O-CB 3.27Å; Y21-L25 PolarHBondContact O-N 3.19Å; Y21-F46 HydrophobicContact CD1-CD1 4.49Å; Y21-F46 HydrophobicContact CD1-CD2 4.44Å; Y21-F46 HydrophobicContact CD1-CG 4.47Å; Y21-F46 HydrophobicContact CE1-CD1 4.43Å; Y21-F46 AromaticContact CE1-CD2 3.87Å; Y21-F46 HydrophobicContact CE1-CD2 3.87Å; Y21-F46 HydrophobicContact CE1-CE1 4.16Å; Y21-F46 AromaticContact CE1-CE2 3.62Å; Y21-F46 HydrophobicContact CE1-CE2 3.62Å; Y21-F46 HydrophobicContact CE1-CG 4.3Å; Y21-F46 AromaticContact CE1-CZ 3.76Å; Y21-F46 HydrophobicContact CE1-CZ 3.76Å
22	I	95.7	Very high	94.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55	-50.3	175.2	-69.9	166.1	0	0	0	110.6	G18 W19 S24 L25 Y26 V43 F46 F50 V105	G18-I22 WeakPolarHBondContact O-CG1 3.38Å; G18-I22 PolarHBondContact O-N 3.44Å; W19-I22 HydrophobicContact CD2-CD1 4.3Å; W19-I22 HydrophobicContact CE3-CD1 3.99Å; W19-I22 HydrophobicContact CZ3-CD1 4.35Å; W19-I22 PolarHBondContact O-N 3.31Å; I22-S24 PolarHBondContact O-N 3.46Å; I22-L25 PolarHBondContact O-N 3.38Å; I22-Y26 VanDerWaalsContact O-CB 3.27Å; I22-Y26 WeakPolarHBondContact O-CB 3.47Å; I22-Y26 PolarHBondContact O-N 3.36Å; I22-V43 HydrophobicContact CG2-CG1 4.19Å; I22-F46 HydrophobicContact CD1-CB 4.15Å; I22-F46 HydrophobicContact CG1-CB 3.69Å; I22-F50 HydrophobicContact CD1-CB 3.97Å; I22-F50 HydrophobicContact CD1-CD2 3.72Å; I22-F50 HydrophobicContact CD1-CG 4.07Å; I22-F50 HydrophobicContact CG1-CD2 4.44Å; I22-V105 HydrophobicContact CG2-CG1 4.21Å
23	L	95.9	Very high	94.4	Very high	23 Å²	23	55 Å²	55	12%	0.12	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-46.9	-179.6	-175.8	59.2	0	0	0	111.7	W19 Y21 Y26 I27 I106 I110 M113	W19-L23 WeakPolarHBondContact O-CB 3.35Å; W19-L23 PolarHBondContact O-N 3.01Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 2.79Å; L23-Y26 PolarHBondContact O-N 3.09Å; L23-I27 HydrophobicContact CD1-CD1 3.88Å; L23-I27 HydrophobicContact CD1-CG1 4.33Å; L23-I27 HydrophobicContact CG-CD1 3.88Å; L23-I27 WeakPolarHBondContact O-CB 3.35Å; L23-I27 VanDerWaalsContact O-CG1 3.28Å; L23-I27 WeakPolarHBondContact O-CG1 3.29Å; L23-I27 PolarHBondContact O-N 2.98Å; L23-I106 HydrophobicContact CD1-CG1 4.34Å; L23-I106 HydrophobicContact CD1-CG2 4.5Å; L23-I110 HydrophobicContact CD2-CG1 3.98Å; L23-M113 HydrophobicContact CD2-SD 3.89Å
24	S	95.4	Very high	94.1	Very high	63 Å²	63	64.3 Å²	64.3	44%	0.441	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-45.7	-178.8	-56.5	0	0	0	0	111.2	G20 Y21 I22 I27 L28	G20-S24 WeakPolarHBondContact O-CB 3.35Å; G20-S24 PolarHBondContact O-N 3.47Å; G20-S24 PolarHBondContact O-OG 2.86Å; Y21-S24 PolarHBondContact O-N 3.03Å; I22-S24 PolarHBondContact O-N 3.46Å; S24-I27 PolarHBondContact O-N 3.2Å; S24-L28 WeakPolarHBondContact O-CB 3.28Å; S24-L28 VanDerWaalsContact O-CG 3.23Å; S24-L28 WeakPolarHBondContact O-CG 3.3Å; S24-L28 PolarHBondContact O-N 3.16Å
25	L	95.2	Very high	93.8	Very high	21 Å²	21	64.1 Å²	64.1	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-60.2	-47.5	177.2	-177.6	64.4	0	0	0	110.8	Y21 I22 I27 L28 E29 Q42 V43 F46	Y21-L25 HydrophobicContact CE1-CD2 3.97Å; Y21-L25 WeakPolarHBondContact O-CB 3.27Å; Y21-L25 PolarHBondContact O-N 3.19Å; I22-L25 PolarHBondContact O-N 3.38Å; L25-I27 PolarHBondContact O-N 3.45Å; L25-L28 PolarHBondContact O-N 2.94Å; L25-E29 HydrophobicContact CD1-CG 4.13Å; L25-E29 WeakPolarHBondContact O-CB 3.36Å; L25-E29 WeakPolarHBondContact O-CG 3.47Å; L25-E29 PolarHBondContact O-N 3.41Å; L25-Q42 HydrophobicContact CD2-CB 3.9Å; L25-V43 HydrophobicContact CB-CG2 4.33Å; L25-V43 HydrophobicContact CD2-CG2 3.87Å; L25-V43 HydrophobicContact CG-CG2 3.85Å; L25-F46 HydrophobicContact CD2-CD2 4.17Å; L25-F46 HydrophobicContact CD2-CE2 4.46Å
26	Y	94.5	Very high	93.5	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-45	179.1	177.7	-106.4	0	0	0	112.6	I22 L23 S30 W36 V43 V101 P102 V105 I106	I22-Y26 VanDerWaalsContact O-CB 3.27Å; I22-Y26 WeakPolarHBondContact O-CB 3.47Å; I22-Y26 PolarHBondContact O-N 3.36Å; L23-Y26 PolarHBondContact O-N 3.09Å; Y26-S30 WeakPolarHBondContact CE2-OG 3.26Å; Y26-S30 WeakPolarHBondContact O-CB 3.31Å; Y26-S30 PolarHBondContact O-N 3.43Å; Y26-S30 PolarHBondContact O-OG 3.01Å; Y26-W36 HydrophobicContact CE1-CE3 4.4Å; Y26-W36 PolarHBondContact OH-O 3.3Å; Y26-V43 HydrophobicContact CD2-CG1 4.21Å; Y26-V43 HydrophobicContact CD2-CG2 4.4Å; Y26-V101 HydrophobicContact CE2-CG1 4.31Å; Y26-P102 WeakPolarHBondContact OH-CA 3.36Å; Y26-P102 WeakPolarHBondContact OH-CB 3.33Å; Y26-V105 HydrophobicContact CD1-CB 4.28Å; Y26-V105 HydrophobicContact CD1-CG1 3.69Å; Y26-V105 HydrophobicContact CD2-CG1 4.02Å; Y26-V105 HydrophobicContact CE1-CB 4.36Å; Y26-V105 HydrophobicContact CE1-CG1 4.27Å; Y26-V105 HydrophobicContact CG-CB 4.36Å; Y26-V105 HydrophobicContact CG-CG1 3.54Å; Y26-I106 HydrophobicContact CD1-CG1 4.17Å; Y26-I106 HydrophobicContact CE1-CD1 4.09Å; Y26-I106 HydrophobicContact CE1-CG1 3.88Å
27	I	94.6	Very high	93.2	Very high	71 Å²	71	71.2 Å²	71.2	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-45.6	177.1	-69.9	169.1	0	0	0	110.7	L23 S24 L25 S31 W36	L23-I27 HydrophobicContact CD1-CD1 3.88Å; L23-I27 HydrophobicContact CD1-CG1 4.33Å; L23-I27 HydrophobicContact CG-CD1 3.88Å; L23-I27 WeakPolarHBondContact O-CB 3.35Å; L23-I27 VanDerWaalsContact O-CG1 3.28Å; L23-I27 WeakPolarHBondContact O-CG1 3.29Å; L23-I27 PolarHBondContact O-N 2.98Å; S24-I27 PolarHBondContact O-N 3.2Å; L25-I27 PolarHBondContact O-N 3.45Å; I27-S31 WeakPolarHBondContact O-CB 3.37Å; I27-S31 PolarHBondContact O-N 3.38Å; I27-S31 PolarHBondContact O-OG 3.3Å; I27-W36 HydrophobicContact CG2-CH2 4.43Å
28	L	94.5	Very high	92.9	Very high	120 Å²	120	67.5 Å²	67.5	63%	0.628	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-48.9	-179.3	-74.3	170.8	0	0	0	111.7	S24 L25 S31 F32	S24-L28 WeakPolarHBondContact O-CB 3.28Å; S24-L28 VanDerWaalsContact O-CG 3.23Å; S24-L28 WeakPolarHBondContact O-CG 3.3Å; S24-L28 PolarHBondContact O-N 3.16Å; L25-L28 PolarHBondContact O-N 2.94Å; L28-S31 PolarHBondContact O-N 2.85Å; L28-F32 WeakPolarHBondContact O-CB 3.13Å; L28-F32 PolarHBondContact O-N 3.41Å
29	E	91.9	Very high	92.5	Very high	31 Å²	31	67.9 Å²	67.9	15%	0.145	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-41.8	179.5	-72.4	-163.3	102.1	0	0	112.3	L25 S31 F32 K33 S40	L25-E29 HydrophobicContact CD1-CG 4.13Å; L25-E29 WeakPolarHBondContact O-CB 3.36Å; L25-E29 WeakPolarHBondContact O-CG 3.47Å; L25-E29 PolarHBondContact O-N 3.41Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 3.38Å; E29-F32 PolarHBondContact O-N 3.44Å; E29-K33 VanDerWaalsContact O-CB 3.29Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 WeakPolarHBondContact O-CG 3.39Å; E29-K33 PolarHBondContact O-N 2.89Å; E29-K33 IonicContact OE1-NZ 3.55Å; E29-K33 PolarHBondContact OE1-NZ 3.02Å; E29-S40 WeakPolarHBondContact OE2-CB 3.38Å; E29-S40 PolarHBondContact OE2-OG 2.67Å
30	S	91.4	Very high	92.2	Very high	4 Å²	4	68.7 Å²	68.7	3%	0.028	32%	0.322	C	S	.	.	H	α-helix	trans	-66.1	-36.5	177.9	-59.4	0	0	0	0	111.8	Y26 R34 K35 W36	Y26-S30 WeakPolarHBondContact CE2-OG 3.26Å; Y26-S30 WeakPolarHBondContact O-CB 3.31Å; Y26-S30 PolarHBondContact O-N 3.43Å; Y26-S30 PolarHBondContact O-OG 3.01Å; S30-R34 CarbonylContact O-C 3.6Å; S30-R34 WeakPolarHBondContact O-CA 3.37Å; S30-R34 PolarHBondContact O-N 3.5Å; S30-K35 PolarHBondContact O-N 2.96Å; S30-W36 VanDerWaalsContact CB-CD2 3.49Å
31	S	92.1	Very high	92	Very high	63 Å²	63	73.3 Å²	73.3	44%	0.441	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-43.4	176.4	-60.2	0	0	0	0	111.9	I27 L28 E29 W36	I27-S31 WeakPolarHBondContact O-CB 3.37Å; I27-S31 PolarHBondContact O-N 3.38Å; I27-S31 PolarHBondContact O-OG 3.3Å; L28-S31 PolarHBondContact O-N 2.85Å; E29-S31 VanDerWaalsContact C-N 3.32Å; E29-S31 PolarHBondContact O-N 3.38Å; S31-W36 WeakPolarHBondContact OG-CZ2 3.35Å
32	F	91.2	Very high	91.8	Very high	186 Å²	186	72.7 Å²	72.7	82%	0.816	35%	0.349	S	S	*	.	H	α-helix	trans	-72.3	-44.4	-178.4	-167.9	-97.9	0	0	0	112.3	L28 E29	L28-F32 WeakPolarHBondContact O-CB 3.13Å; L28-F32 PolarHBondContact O-N 3.41Å; E29-F32 PolarHBondContact O-N 3.44Å
33	K	89.6	Confident	91.6	Very high	115 Å²	115	72.7 Å²	72.7	50%	0.5	35%	0.349	S	S	.	.	H	α-helix	trans	-83.5	-13	-179.7	-63.3	171.7	179.1	163.9	0	113	E29 K35	E29-K33 VanDerWaalsContact O-CB 3.29Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 WeakPolarHBondContact O-CG 3.39Å; E29-K33 PolarHBondContact O-N 2.89Å; E29-K33 IonicContact OE1-NZ 3.55Å; E29-K33 PolarHBondContact OE1-NZ 3.02Å; K33-K35 HydrophobicContact CB-CB 4.36Å; K33-K35 HydrophobicContact CB-CG 4.41Å; K33-K35 PolarHBondContact O-N 3.15Å
34	R	87.6	Confident	91.4	Very high	219 Å²	219	72.7 Å²	72.7	83%	0.826	35%	0.349	S	S	*	.			trans	55.9	30	-170.7	-60.3	-175.4	175.8	178.9	-0.9	114	S30	S30-R34 CarbonylContact O-C 3.6Å; S30-R34 WeakPolarHBondContact O-CA 3.37Å; S30-R34 PolarHBondContact O-N 3.5Å
35	K	88.8	Confident	91.4	Very high	108 Å²	108	73.6 Å²	73.6	47%	0.47	35%	0.348	S	S	.	.			trans	-118.8	77.5	-176.8	-70	-171.4	169.3	-163.9	0	111.3	S30 K33 F37 E38	S30-K35 PolarHBondContact O-N 2.96Å; K33-K35 HydrophobicContact CB-CB 4.36Å; K33-K35 HydrophobicContact CB-CG 4.41Å; K33-K35 PolarHBondContact O-N 3.15Å; K35-F37 VanDerWaalsContact C-N 3.33Å; K35-E38 HydrophobicContact CB-CB 4.21Å; K35-E38 WeakPolarHBondContact CD-OE2 3.21Å; K35-E38 IonicContact NZ-OE2 2.74Å; K35-E38 PolarHBondContact NZ-OE2 3.07Å
36	W	88.6	Confident	91.3	Very high	98 Å²	98	75.5 Å²	75.5	37%	0.371	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.4	-179.7	-64.5	91.2	0	0	0	113.1	Y26 I27 S30 S31 E38	Y26-W36 HydrophobicContact CE1-CE3 4.4Å; Y26-W36 PolarHBondContact OH-O 3.3Å; I27-W36 HydrophobicContact CG2-CH2 4.43Å; S30-W36 VanDerWaalsContact CB-CD2 3.49Å; S31-W36 WeakPolarHBondContact OG-CZ2 3.35Å; W36-E38 VanDerWaalsContact C-N 3.34Å
37	F	90.1	Very high	91.3	Very high	93 Å²	93	75.4 Å²	75.4	41%	0.408	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.6	-177.7	-53.3	-63.3	0	0	0	113.7	K35 D97 N98 L99 P102	K35-F37 VanDerWaalsContact C-N 3.33Å; F37-D97 WeakPolarHBondContact O-CA 3.42Å; F37-D97 PolarHBondContact O-N 2.97Å; F37-N98 PolarHBondContact O-N 3.38Å; F37-L99 HydrophobicContact CD1-CD1 4.23Å; F37-L99 HydrophobicContact CE1-CD1 3.57Å; F37-L99 HydrophobicContact CZ-CD1 4.49Å; F37-P102 HydrophobicContact CD1-CG 3.94Å; F37-P102 HydrophobicContact CE1-CG 4.24Å
38	E	88.9	Confident	91.3	Very high	66 Å²	66	74.1 Å²	74.1	31%	0.308	35%	0.346	S	S	.	.	S	Bend	trans	-113.2	131.8	179.4	-168.8	175.9	153.8	0	0	110.1	K35 W36 A95 R96	K35-E38 HydrophobicContact CB-CB 4.21Å; K35-E38 WeakPolarHBondContact CD-OE2 3.21Å; K35-E38 IonicContact NZ-OE2 2.74Å; K35-E38 PolarHBondContact NZ-OE2 3.07Å; W36-E38 VanDerWaalsContact C-N 3.34Å; E38-A95 WeakPolarHBondContact CA-O 3.12Å; E38-R96 HydrophobicContact CG-CG 4.37Å
39	L	88.8	Confident	91.3	Very high	14 Å²	14	72.5 Å²	72.5	7%	0.073	34%	0.337	C	S	.	.			trans	-84.2	121.6	172.6	-168	63.3	0	0	0	109.4	V43 D44 L88 A95 V101 V105	L39-V43 HydrophobicContact CD1-CB 3.96Å; L39-V43 HydrophobicContact CD1-CG1 3.52Å; L39-D44 HydrophobicContact CD2-CB 3.62Å; L39-D44 HydrophobicContact CG-CB 3.93Å; L39-L88 HydrophobicContact CD2-CD1 3.94Å; L39-L88 HydrophobicContact CD2-CD2 4.34Å; L39-A95 HydrophobicContact CB-CB 3.96Å; L39-A95 HydrophobicContact CD2-CB 4.43Å; L39-A95 PolarHBondContact N-O 3Å; L39-V101 HydrophobicContact CB-CG1 3.84Å; L39-V101 HydrophobicContact CB-CG2 4.47Å; L39-V101 HydrophobicContact CD1-CG1 3.94Å; L39-V101 HydrophobicContact CG-CG1 4.44Å; L39-V105 HydrophobicContact CD1-CG2 3.85Å
40	S	89.9	Confident	91.4	Very high	18 Å²	18	71.5 Å²	71.5	13%	0.126	33%	0.332	C	S	.	.			trans	-70.1	152.3	173.7	78	0	0	0	0	110.9	E29 Q42 V43 D44	E29-S40 WeakPolarHBondContact OE2-CB 3.38Å; E29-S40 PolarHBondContact OE2-OG 2.67Å; S40-Q42 PolarHBondContact O-N 3.02Å; S40-V43 PolarHBondContact O-N 3.28Å; S40-V43 WeakPolarHBondContact OG-CB 3.3Å; S40-V43 WeakPolarHBondContact OG-CG2 3.14Å; S40-V43 PolarHBondContact OG-N 3.15Å; S40-V43 VanDerWaalsContact OG-N 3.1Å; S40-D44 WeakPolarHBondContact O-CB 3.32Å; S40-D44 PolarHBondContact O-N 3.11Å
41	V	90.7	Very high	91.5	Very high	111 Å²	111	71.4 Å²	71.4	67%	0.673	33%	0.332	S	S	*	.	H	α-helix	trans	-56.3	-38.1	177	178.8	0	0	0	0	111.4	I45	V41-I45 HydrophobicContact CG1-CD1 3.91Å; V41-I45 WeakPolarHBondContact O-CD1 3.3Å; V41-I45 VanDerWaalsContact O-CG1 3.22Å; V41-I45 WeakPolarHBondContact O-CG1 3.38Å; V41-I45 PolarHBondContact O-N 2.86Å; V41-I45 VanDerWaalsContact O-N 3.08Å
42	Q	91.9	Very high	91.6	Very high	100 Å²	100	70.2 Å²	70.2	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-50.3	-179.8	-64.4	-176.8	-6.3	0	0	111.2	L25 S40 D44 I45 F46	L25-Q42 HydrophobicContact CD2-CB 3.9Å; S40-Q42 PolarHBondContact O-N 3.02Å; Q42-D44 VanDerWaalsContact C-N 3.26Å; Q42-D44 PolarHBondContact O-N 3Å; Q42-I45 PolarHBondContact O-N 2.92Å; Q42-F46 WeakPolarHBondContact O-CD2 3.45Å; Q42-F46 PolarHBondContact O-N 3.37Å
43	V	92.4	Very high	91.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-41	178.7	177.1	0	0	0	0	110.2	I22 L25 Y26 L39 S40 F46 L47 V105	I22-V43 HydrophobicContact CG2-CG1 4.19Å; L25-V43 HydrophobicContact CB-CG2 4.33Å; L25-V43 HydrophobicContact CD2-CG2 3.87Å; L25-V43 HydrophobicContact CG-CG2 3.85Å; Y26-V43 HydrophobicContact CD2-CG1 4.21Å; Y26-V43 HydrophobicContact CD2-CG2 4.4Å; L39-V43 HydrophobicContact CD1-CB 3.96Å; L39-V43 HydrophobicContact CD1-CG1 3.52Å; S40-V43 PolarHBondContact O-N 3.28Å; S40-V43 WeakPolarHBondContact OG-CB 3.3Å; S40-V43 WeakPolarHBondContact OG-CG2 3.14Å; S40-V43 PolarHBondContact OG-N 3.15Å; S40-V43 VanDerWaalsContact OG-N 3.1Å; V43-F46 PolarHBondContact O-N 2.92Å; V43-L47 WeakPolarHBondContact O-CB 3.42Å; V43-L47 PolarHBondContact O-N 2.83Å; V43-V105 HydrophobicContact CG1-CG1 4.22Å; V43-V105 HydrophobicContact CG1-CG2 4.46Å
44	D	92.5	Very high	91.7	Very high	23 Å²	23	58.4 Å²	58.4	12%	0.123	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-47	175.8	177.4	55.9	0	0	0	113	L39 S40 Q42 F46 L47 R48	L39-D44 HydrophobicContact CD2-CB 3.62Å; L39-D44 HydrophobicContact CG-CB 3.93Å; S40-D44 WeakPolarHBondContact O-CB 3.32Å; S40-D44 PolarHBondContact O-N 3.11Å; Q42-D44 VanDerWaalsContact C-N 3.26Å; Q42-D44 PolarHBondContact O-N 3Å; D44-F46 PolarHBondContact O-N 3.16Å; D44-L47 PolarHBondContact O-N 3.19Å; D44-R48 WeakPolarHBondContact O-CB 3.35Å; D44-R48 WeakPolarHBondContact O-CG 3.45Å; D44-R48 PolarHBondContact O-N 3.48Å; D44-R48 IonicContact OD1-NE 3.4Å; D44-R48 IonicContact OD2-CZ 2.9Å; D44-R48 IonicContact OD2-NE 2.76Å; D44-R48 PolarHBondContact OD2-NE 2.84Å; D44-R48 IonicContact OD2-NH2 3.57Å; D44-R48 PolarHBondContact OD2-NH2 3.17Å
45	I	93.8	Very high	91.9	Very high	83 Å²	83	50.8 Å²	50.8	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-47.2	178	-70.1	164.7	0	0	0	110.6	V41 Q42 R48 L49	V41-I45 HydrophobicContact CG1-CD1 3.91Å; V41-I45 WeakPolarHBondContact O-CD1 3.3Å; V41-I45 VanDerWaalsContact O-CG1 3.22Å; V41-I45 WeakPolarHBondContact O-CG1 3.38Å; V41-I45 PolarHBondContact O-N 2.86Å; V41-I45 VanDerWaalsContact O-N 3.08Å; Q42-I45 PolarHBondContact O-N 2.92Å; I45-R48 PolarHBondContact O-N 3.4Å; I45-L49 WeakPolarHBondContact O-CB 3.16Å; I45-L49 PolarHBondContact O-N 3.11Å
46	F	94.4	Very high	92	Very high	60 Å²	60	47.6 Å²	47.6	26%	0.263	24%	0.241	S	C	.	.	H	α-helix	trans	-68	-39.2	179.8	-74.3	-71.3	0	0	0	112	Y21 I22 L25 Q42 V43 D44 R48 L49 F50	Y21-F46 HydrophobicContact CD1-CD1 4.49Å; Y21-F46 HydrophobicContact CD1-CD2 4.44Å; Y21-F46 HydrophobicContact CD1-CG 4.47Å; Y21-F46 HydrophobicContact CE1-CD1 4.43Å; Y21-F46 AromaticContact CE1-CD2 3.87Å; Y21-F46 HydrophobicContact CE1-CD2 3.87Å; Y21-F46 HydrophobicContact CE1-CE1 4.16Å; Y21-F46 AromaticContact CE1-CE2 3.62Å; Y21-F46 HydrophobicContact CE1-CE2 3.62Å; Y21-F46 HydrophobicContact CE1-CG 4.3Å; Y21-F46 AromaticContact CE1-CZ 3.76Å; Y21-F46 HydrophobicContact CE1-CZ 3.76Å; I22-F46 HydrophobicContact CD1-CB 4.15Å; I22-F46 HydrophobicContact CG1-CB 3.69Å; L25-F46 HydrophobicContact CD2-CD2 4.17Å; L25-F46 HydrophobicContact CD2-CE2 4.46Å; Q42-F46 WeakPolarHBondContact O-CD2 3.45Å; Q42-F46 PolarHBondContact O-N 3.37Å; V43-F46 PolarHBondContact O-N 2.92Å; D44-F46 PolarHBondContact O-N 3.16Å; F46-R48 PolarHBondContact O-N 2.87Å; F46-L49 PolarHBondContact O-N 3.35Å; F46-F50 HydrophobicContact CB-CD2 4.47Å; F46-F50 HydrophobicContact CD1-CE2 4.1Å; F46-F50 WeakPolarHBondContact O-CD2 3.05Å; F46-F50 PolarHBondContact O-N 3.26Å
47	L	94.1	Very high	91.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-47.1	175.1	-170.2	69.1	0	0	0	110.8	W19 V43 D44 L49 Q51 V84 L88 I104 V105 W108	W19-L47 HydrophobicContact CH2-CD1 3.93Å; W19-L47 HydrophobicContact CZ3-CD1 3.74Å; V43-L47 WeakPolarHBondContact O-CB 3.42Å; V43-L47 PolarHBondContact O-N 2.83Å; D44-L47 PolarHBondContact O-N 3.19Å; L47-L49 PolarHBondContact O-N 3.42Å; L47-Q51 WeakPolarHBondContact O-CB 3.24Å; L47-Q51 PolarHBondContact O-N 2.83Å; L47-V84 HydrophobicContact CD2-CG2 4.15Å; L47-V84 HydrophobicContact CG-CG2 4.16Å; L47-L88 HydrophobicContact CD2-CD1 3.97Å; L47-I104 HydrophobicContact CD2-CD1 4.3Å; L47-V105 HydrophobicContact CD2-CG2 4.45Å; L47-W108 HydrophobicContact CD1-CE3 3.99Å; L47-W108 HydrophobicContact CD1-CZ3 4.25Å; L47-W108 HydrophobicContact CD2-CZ3 4.41Å; L47-W108 HydrophobicContact CG-CZ3 4.48Å
48	R	94	Very high	91.8	Very high	45 Å²	45	40.6 Å²	40.6	17%	0.17	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-44.3	173.7	-80.2	-174.3	-71.8	151.8	-3.2	113	D44 I45 F46 S52 V84 W85	D44-R48 WeakPolarHBondContact O-CB 3.35Å; D44-R48 WeakPolarHBondContact O-CG 3.45Å; D44-R48 PolarHBondContact O-N 3.48Å; D44-R48 IonicContact OD1-NE 3.4Å; D44-R48 IonicContact OD2-CZ 2.9Å; D44-R48 IonicContact OD2-NE 2.76Å; D44-R48 PolarHBondContact OD2-NE 2.84Å; D44-R48 IonicContact OD2-NH2 3.57Å; D44-R48 PolarHBondContact OD2-NH2 3.17Å; I45-R48 PolarHBondContact O-N 3.4Å; F46-R48 PolarHBondContact O-N 2.87Å; R48-S52 VanDerWaalsContact O-CB 3.22Å; R48-S52 WeakPolarHBondContact O-CB 3.43Å; R48-S52 PolarHBondContact O-N 3.47Å; R48-S52 PolarHBondContact O-OG 3.3Å; R48-V84 HydrophobicContact CB-CG1 4.03Å; R48-V84 HydrophobicContact CG-CG1 3.25Å; R48-W85 HydrophobicContact CB-CZ2 4.24Å
49	L	94.7	Very high	91.9	Very high	85 Å²	85	42 Å²	42	45%	0.445	22%	0.223	S	C	.	.	H	α-helix	trans	-64.4	-56.3	180	-179.1	65.5	0	0	0	111.3	I45 F46 L47 Q51 S52 L53	I45-L49 WeakPolarHBondContact O-CB 3.16Å; I45-L49 PolarHBondContact O-N 3.11Å; F46-L49 PolarHBondContact O-N 3.35Å; L47-L49 PolarHBondContact O-N 3.42Å; L49-Q51 PolarHBondContact O-N 2.73Å; L49-S52 WeakPolarHBondContact O-CB 3.35Å; L49-S52 PolarHBondContact O-N 3.02Å; L49-L53 HydrophobicContact CG-CD1 4.46Å; L49-L53 WeakPolarHBondContact O-CG 3.05Å; L49-L53 PolarHBondContact O-N 3.45Å
50	F	93.9	Very high	91.9	Very high	10 Å²	10	42 Å²	42	4%	0.044	22%	0.223	C	C	.	.	H	α-helix	trans	-69.4	-33.1	-175.2	-80.1	-77.9	0	0	0	112.6	F14 Q15 G18 W19 I22 F46 L53 A54	F14-F50 HydrophobicContact CD1-CE1 4.07Å; F14-F50 AromaticContact CE1-CE1 3.66Å; F14-F50 HydrophobicContact CE1-CE1 3.66Å; F14-F50 HydrophobicContact CE1-CZ 4.01Å; F14-F50 HydrophobicContact CZ-CE1 4.2Å; F14-F50 HydrophobicContact CZ-CZ 4.08Å; Q15-F50 VanDerWaalsContact OE1-CD1 3.3Å; G18-F50 VanDerWaalsContact CA-CE1 3.46Å; W19-F50 HydrophobicContact CZ2-CB 4.23Å; I22-F50 HydrophobicContact CD1-CB 3.97Å; I22-F50 HydrophobicContact CD1-CD2 3.72Å; I22-F50 HydrophobicContact CD1-CG 4.07Å; I22-F50 HydrophobicContact CG1-CD2 4.44Å; F46-F50 HydrophobicContact CB-CD2 4.47Å; F46-F50 HydrophobicContact CD1-CE2 4.1Å; F46-F50 WeakPolarHBondContact O-CD2 3.05Å; F46-F50 PolarHBondContact O-N 3.26Å; F50-L53 HydrophobicContact CD1-CD1 4.06Å; F50-L53 HydrophobicContact CE1-CD1 4.23Å; F50-L53 PolarHBondContact O-N 2.87Å; F50-A54 PolarHBondContact O-N 3.49Å
51	Q	93.7	Very high	91.6	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-38	172.8	-167.2	56.1	46.6	0	0	111.9	L47 L49 A54 R80 L81 V84	L47-Q51 WeakPolarHBondContact O-CB 3.24Å; L47-Q51 PolarHBondContact O-N 2.83Å; L49-Q51 PolarHBondContact O-N 2.73Å; Q51-A54 VanDerWaalsContact O-CB 3.3Å; Q51-A54 WeakPolarHBondContact O-CB 3.32Å; Q51-A54 PolarHBondContact O-N 2.9Å; Q51-R80 VanDerWaalsContact CD-CB 3.43Å; Q51-R80 HydrophobicContact CG-CB 4.04Å; Q51-L81 HydrophobicContact CG-CD2 3.96Å; Q51-L81 HydrophobicContact CG-CG 4.31Å; Q51-V84 HydrophobicContact CB-CG2 4.39Å; Q51-V84 HydrophobicContact CG-CG2 4.16Å
52	S	93.7	Very high	91.4	Very high	38 Å²	38	39.5 Å²	39.5	27%	0.266	22%	0.215	S	C	.	.	H	α-helix	trans	-65.3	-37.1	172.6	-59.8	0	0	0	0	112.5	R48 L49 A54 V55 W85	R48-S52 VanDerWaalsContact O-CB 3.22Å; R48-S52 WeakPolarHBondContact O-CB 3.43Å; R48-S52 PolarHBondContact O-N 3.47Å; R48-S52 PolarHBondContact O-OG 3.3Å; L49-S52 WeakPolarHBondContact O-CB 3.35Å; L49-S52 PolarHBondContact O-N 3.02Å; S52-A54 PolarHBondContact O-N 3.18Å; S52-V55 VanDerWaalsContact O-CB 3.32Å; S52-V55 WeakPolarHBondContact O-CB 3.48Å; S52-V55 VanDerWaalsContact O-CG2 3.29Å; S52-V55 WeakPolarHBondContact O-CG2 3.31Å; S52-V55 PolarHBondContact O-N 3.48Å; S52-V55 VanDerWaalsContact O-N 3.09Å; S52-W85 PolarHBondContact OG-NE1 3.33Å
53	L	93.3	Very high	91.2	Very high	50 Å²	50	40.2 Å²	40.2	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-25.7	175.3	-70.6	173.3	0	0	0	112.5	Y11 F14 Q15 L49 F50 V55 V56	Y11-L53 PolarHBondContact OH-O 3.48Å; Y11-L53 VanDerWaalsContact OH-O 3.11Å; F14-L53 HydrophobicContact CE1-CD1 3.84Å; Q15-L53 VanDerWaalsContact NE2-CB 3.31Å; L49-L53 HydrophobicContact CG-CD1 4.46Å; L49-L53 WeakPolarHBondContact O-CG 3.05Å; L49-L53 PolarHBondContact O-N 3.45Å; F50-L53 HydrophobicContact CD1-CD1 4.06Å; F50-L53 HydrophobicContact CE1-CD1 4.23Å; F50-L53 PolarHBondContact O-N 2.87Å; L53-V55 PolarHBondContact O-N 3.44Å; L53-V55 VanDerWaalsContact O-N 3.15Å; L53-V56 VanDerWaalsContact O-CB 3.26Å; L53-V56 WeakPolarHBondContact O-CB 3.47Å; L53-V56 WeakPolarHBondContact O-CG2 3.22Å; L53-V56 PolarHBondContact O-N 3.05Å
54	A	90.7	Very high	90.6	Very high	3 Å²	3	43 Å²	43	3%	0.025	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.3	175.5	0	0	0	0	0	113.5	F50 Q51 S52 V56 E57 V77	F50-A54 PolarHBondContact O-N 3.49Å; Q51-A54 VanDerWaalsContact O-CB 3.3Å; Q51-A54 WeakPolarHBondContact O-CB 3.32Å; Q51-A54 PolarHBondContact O-N 2.9Å; S52-A54 PolarHBondContact O-N 3.18Å; A54-V56 PolarHBondContact O-N 2.97Å; A54-E57 VanDerWaalsContact O-CB 3.25Å; A54-E57 WeakPolarHBondContact O-CB 3.3Å; A54-E57 PolarHBondContact O-N 3.48Å; A54-V77 HydrophobicContact CB-CG1 4.09Å; A54-V77 HydrophobicContact CB-CG2 4Å
55	V	91.2	Very high	90	Very high	59 Å²	59	44.2 Å²	44.2	36%	0.358	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-33.4	171	177.1	0	0	0	0	111.1	S52 L53 E57 I58 I59 V77 L81	S52-V55 VanDerWaalsContact O-CB 3.32Å; S52-V55 WeakPolarHBondContact O-CB 3.48Å; S52-V55 VanDerWaalsContact O-CG2 3.29Å; S52-V55 WeakPolarHBondContact O-CG2 3.31Å; S52-V55 PolarHBondContact O-N 3.48Å; S52-V55 VanDerWaalsContact O-N 3.09Å; L53-V55 PolarHBondContact O-N 3.44Å; L53-V55 VanDerWaalsContact O-N 3.15Å; V55-E57 PolarHBondContact O-N 3.38Å; V55-I58 VanDerWaalsContact O-CB 3.31Å; V55-I58 WeakPolarHBondContact O-CB 3.32Å; V55-I58 PolarHBondContact O-N 3.4Å; V55-I59 PolarHBondContact O-N 3.07Å; V55-V77 HydrophobicContact CG2-CG1 4.27Å; V55-L81 HydrophobicContact CG2-CD1 3.61Å
56	V	90.9	Very high	89.3	Confident	40 Å²	40	42.3 Å²	42.3	24%	0.242	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-27.9	176.8	-176.5	0	0	0	0	111.1	Y11 L53 A54 I58 I59 H60	Y11-V56 HydrophobicContact CE2-CB 4.22Å; Y11-V56 HydrophobicContact CE2-CG1 4.19Å; L53-V56 VanDerWaalsContact O-CB 3.26Å; L53-V56 WeakPolarHBondContact O-CB 3.47Å; L53-V56 WeakPolarHBondContact O-CG2 3.22Å; L53-V56 PolarHBondContact O-N 3.05Å; A54-V56 PolarHBondContact O-N 2.97Å; V56-I58 VanDerWaalsContact C-N 3.33Å; V56-I58 PolarHBondContact O-N 2.89Å; V56-I59 CarbonylContact O-C 3.49Å; V56-I59 WeakPolarHBondContact O-CB 3.48Å; V56-I59 PolarHBondContact O-N 3.4Å; V56-H60 WeakPolarHBondContact CG1-NE2 3.3Å; V56-H60 PolarHBondContact O-CD2 3.49Å; V56-H60 VanDerWaalsContact O-CG 3.28Å; V56-H60 PolarHBondContact O-N 3.03Å
57	E	87.5	Confident	88.4	Confident	15 Å²	15	51.9 Å²	51.9	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-71.2	-30	177.2	-55.5	179.1	-176.6	0	0	112.9	Y11 A54 V55 I59 H60 S61 T73 R115 Y116	Y11-E57 HydrophobicContact CE1-CG 4.04Å; Y11-E57 VanDerWaalsContact OH-CG 3.31Å; Y11-E57 WeakPolarHBondContact OH-CG 3.5Å; Y11-E57 PolarHBondContact OH-OE1 3.02Å; A54-E57 VanDerWaalsContact O-CB 3.25Å; A54-E57 WeakPolarHBondContact O-CB 3.3Å; A54-E57 PolarHBondContact O-N 3.48Å; V55-E57 PolarHBondContact O-N 3.38Å; E57-I59 VanDerWaalsContact C-N 3.29Å; E57-H60 PolarHBondContact O-N 3.47Å; E57-S61 WeakPolarHBondContact O-CB 3.29Å; E57-S61 PolarHBondContact O-N 2.92Å; E57-S61 PolarHBondContact O-OG 3.46Å; E57-T73 HydrophobicContact CB-CG2 4.25Å; E57-R115 VanDerWaalsContact CD-NH2 3.33Å; E57-R115 IonicContact OE1-CZ 3.54Å; E57-R115 IonicContact OE1-NH2 3.01Å; E57-R115 PolarHBondContact OE1-NH2 3.4Å; E57-R115 IonicContact OE2-CZ 3.87Å; E57-R115 VanDerWaalsContact OE2-CZ 3.23Å; E57-R115 IonicContact OE2-NH1 2.84Å; E57-R115 PolarHBondContact OE2-NH1 3.33Å; E57-R115 IonicContact OE2-NH2 2.62Å; E57-R115 PolarHBondContact OE2-NH2 3.1Å; E57-Y116 VanDerWaalsContact OE1-CE1 3.3Å; E57-Y116 WeakPolarHBondContact OE1-CE1 3.42Å; E57-Y116 VanDerWaalsContact OE1-CZ 3.28Å; E57-Y116 PolarHBondContact OE1-OH 3.25Å
58	I	87.6	Confident	87.6	Confident	30 Å²	30	53.9 Å²	53.9	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-44.4	171.6	-53.6	174	0	0	0	108.3	V55 V56 S61 A62 V70 T73 M74 V77	V55-I58 VanDerWaalsContact O-CB 3.31Å; V55-I58 WeakPolarHBondContact O-CB 3.32Å; V55-I58 PolarHBondContact O-N 3.4Å; V56-I58 VanDerWaalsContact C-N 3.33Å; V56-I58 PolarHBondContact O-N 2.89Å; I58-S61 PolarHBondContact O-N 3.15Å; I58-A62 WeakPolarHBondContact O-CB 3.25Å; I58-A62 PolarHBondContact O-N 3.33Å; I58-V70 HydrophobicContact CG2-CG1 4.21Å; I58-T73 HydrophobicContact CG1-CG2 4.31Å; I58-M74 HydrophobicContact CD1-CB 4.39Å; I58-M74 HydrophobicContact CD1-CG 4.39Å; I58-M74 HydrophobicContact CG2-CB 4.32Å; I58-V77 HydrophobicContact CD1-CB 3.99Å; I58-V77 HydrophobicContact CD1-CG1 3.92Å; I58-V77 HydrophobicContact CG1-CB 4.29Å; I58-V77 HydrophobicContact CG1-CG1 4.45Å; I58-V77 HydrophobicContact CG1-CG2 4.33Å
59	I	89.5	Confident	87	Confident	94 Å²	94	54.6 Å²	54.6	48%	0.482	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-44.6	176.4	-56.8	174.3	0	0	0	110.4	V55 V56 E57 S61 A62 V63	V55-I59 PolarHBondContact O-N 3.07Å; V56-I59 CarbonylContact O-C 3.49Å; V56-I59 WeakPolarHBondContact O-CB 3.48Å; V56-I59 PolarHBondContact O-N 3.4Å; E57-I59 VanDerWaalsContact C-N 3.29Å; I59-S61 VanDerWaalsContact C-N 3.28Å; I59-S61 PolarHBondContact O-N 3.45Å; I59-A62 PolarHBondContact O-N 3.46Å; I59-A62 VanDerWaalsContact O-N 3.16Å; I59-V63 HydrophobicContact CG2-CG2 4.21Å; I59-V63 WeakPolarHBondContact O-CG2 3.38Å; I59-V63 PolarHBondContact O-N 3.07Å
60	H	88.9	Confident	86.4	Confident	14 Å²	14	53.2 Å²	53.2	7%	0.065	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-39.9	176.2	-66.4	164.6	0	0	0	112.3	Y7 Y11 V56 E57 G64 L65 V66	Y7-H60 AromaticContact CE1-CE1 3.89Å; Y7-H60 AromaticContact CE1-NE2 3.35Å; Y7-H60 VanDerWaalsContact CE1-NE2 3.35Å; Y7-H60 WeakPolarHBondContact CE1-NE2 3.31Å; Y7-H60 AromaticContact CZ-NE2 3.64Å; Y7-H60 PolarHBondContact OH-NE2 3.26Å; Y11-H60 AromaticContact CD1-CE1 3.94Å; V56-H60 WeakPolarHBondContact CG1-NE2 3.3Å; V56-H60 PolarHBondContact O-CD2 3.49Å; V56-H60 VanDerWaalsContact O-CG 3.28Å; V56-H60 PolarHBondContact O-N 3.03Å; E57-H60 PolarHBondContact O-N 3.47Å; H60-G64 PolarHBondContact O-N 3.42Å; H60-L65 HydrophobicContact CB-CB 4.17Å; H60-L65 HydrophobicContact CB-CD2 4.16Å; H60-L65 WeakPolarHBondContact O-CA 3.23Å; H60-L65 VanDerWaalsContact O-CB 3.27Å; H60-L65 WeakPolarHBondContact O-CB 3.35Å; H60-L65 PolarHBondContact O-N 2.89Å; H60-V66 HydrophobicContact CB-CG2 4.07Å; H60-V66 PolarHBondContact O-N 3.24Å
61	S	85.2	Confident	85.8	Confident	11 Å²	11	59.6 Å²	59.6	8%	0.077	34%	0.339	C	S	.	.	H	α-helix	trans	-69.2	-40.5	176.2	-56.2	0	0	0	0	111.2	E57 I58 I59 G64	E57-S61 WeakPolarHBondContact O-CB 3.29Å; E57-S61 PolarHBondContact O-N 2.92Å; E57-S61 PolarHBondContact O-OG 3.46Å; I58-S61 PolarHBondContact O-N 3.15Å; I59-S61 VanDerWaalsContact C-N 3.28Å; I59-S61 PolarHBondContact O-N 3.45Å; S61-G64 PolarHBondContact O-N 2.96Å
62	A	85.7	Confident	85.3	Confident	67 Å²	67	61.8 Å²	61.8	55%	0.554	35%	0.353	S	S	*	.	H	α-helix	trans	-67.2	-38.5	-179.6	0	0	0	0	0	113	I58 I59 G64 V70	I58-A62 WeakPolarHBondContact O-CB 3.25Å; I58-A62 PolarHBondContact O-N 3.33Å; I59-A62 PolarHBondContact O-N 3.46Å; I59-A62 VanDerWaalsContact O-N 3.16Å; A62-G64 PolarHBondContact O-N 3.48Å; A62-V70 HydrophobicContact CB-CG1 4.39Å; A62-V70 HydrophobicContact CB-CG2 4.3Å
63	V	86.7	Confident	84.9	Confident	115 Å²	115	60.4 Å²	60.4	70%	0.697	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.2	176.7	178.5	0	0	0	0	111.9	I59 L65	I59-V63 HydrophobicContact CG2-CG2 4.21Å; I59-V63 WeakPolarHBondContact O-CG2 3.38Å; I59-V63 PolarHBondContact O-N 3.07Å; V63-L65 VanDerWaalsContact C-N 3.27Å; V63-L65 PolarHBondContact O-N 3.37Å
64	G	81.2	Confident	84.5	Confident	59 Å²	59	62.5 Å²	62.5	61%	0.608	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	21	-176.1	0	0	0	0	0	113.4	H60 S61 A62 V66	H60-G64 PolarHBondContact O-N 3.42Å; S61-G64 PolarHBondContact O-N 2.96Å; A62-G64 PolarHBondContact O-N 3.48Å; G64-V66 VanDerWaalsContact C-N 3.25Å
65	L	79.1	Confident	84.3	Confident	47 Å²	47	66.8 Å²	66.8	25%	0.246	38%	0.375	C	S	.	.	S	Bend	trans	-68.5	-31.1	172.8	-162.5	77.9	0	0	0	110.8	K4 Y7 L8 H60 V63	K4-L65 HydrophobicContact CB-CD1 4.12Å; K4-L65 HydrophobicContact CD-CD1 4.08Å; K4-L65 HydrophobicContact CG-CD1 4.13Å; Y7-L65 HydrophobicContact CD1-CD2 4.16Å; Y7-L65 HydrophobicContact CE1-CD2 4.01Å; L8-L65 HydrophobicContact CD1-CD2 4.26Å; L8-L65 HydrophobicContact CD1-CG 4.07Å; L8-L65 HydrophobicContact CD2-CD2 3.5Å; L8-L65 HydrophobicContact CD2-CG 4.16Å; L8-L65 HydrophobicContact CG-CD2 3.84Å; L8-L65 HydrophobicContact CG-CG 4.2Å; H60-L65 HydrophobicContact CB-CB 4.17Å; H60-L65 HydrophobicContact CB-CD2 4.16Å; H60-L65 WeakPolarHBondContact O-CA 3.23Å; H60-L65 VanDerWaalsContact O-CB 3.27Å; H60-L65 WeakPolarHBondContact O-CB 3.35Å; H60-L65 PolarHBondContact O-N 2.89Å; V63-L65 VanDerWaalsContact C-N 3.27Å; V63-L65 PolarHBondContact O-N 3.37Å
66	V	78.8	Confident	84	Confident	43 Å²	43	67.4 Å²	67.4	26%	0.261	37%	0.374	S	S	.	.	S	Bend	trans	-124.9	144	176.6	-176.9	0	0	0	0	109.1	L8 H60 G64 S68	L8-V66 HydrophobicContact CD2-CG2 4.23Å; H60-V66 HydrophobicContact CB-CG2 4.07Å; H60-V66 PolarHBondContact O-N 3.24Å; G64-V66 VanDerWaalsContact C-N 3.25Å; V66-S68 PolarHBondContact O-N 2.62Å; V66-S68 VanDerWaalsContact O-N 3.11Å
67	R	76.7	Confident	83.9	Confident	261 Å²	261	65.7 Å²	65.7	99%	0.985	36%	0.363	S	S	*	.	S	Bend	trans	-75.6	10.4	-178.6	-63.2	-179.6	178.4	172.1	-2.4	114.4
68	S	76.2	Confident	83.9	Confident	42 Å²	42	67.5 Å²	67.5	29%	0.294	38%	0.378	S	S	.	.	S	Bend	trans	-77.4	146.9	-177.7	-66.1	0	0	0	0	110.4	V66 V70	V66-S68 PolarHBondContact O-N 2.62Å; V66-S68 VanDerWaalsContact O-N 3.11Å; S68-V70 PolarHBondContact O-N 3.13Å
69	S	82.5	Confident	83.9	Confident	60 Å²	60	67.3 Å²	67.3	42%	0.42	38%	0.379	S	S	.	.			trans	-70.2	131.6	174.4	97.8	0	0	0	0	109.6	M71 T72 T73	S69-M71 VanDerWaalsContact C-N 3.32Å; S69-M71 PolarHBondContact O-N 2.74Å; S69-T72 PolarHBondContact O-N 2.87Å; S69-T72 PolarHBondContact O-OG1 3.21Å; S69-T72 VanDerWaalsContact OG-CB 3.31Å; S69-T72 WeakPolarHBondContact OG-CB 3.42Å; S69-T72 WeakPolarHBondContact OG-CG2 3.42Å; S69-T72 PolarHBondContact OG-N 3.28Å; S69-T72 PolarHBondContact OG-OG1 3.45Å; S69-T73 PolarHBondContact O-N 3.47Å; S69-T73 VanDerWaalsContact O-N 3.15Å; S69-T73 PolarHBondContact O-OG1 3.31Å
70	V	81.4	Confident	84	Confident	56 Å²	56	65 Å²	65	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-46	-178	-175.8	0	0	0	0	110.3	I58 A62 S68 T72 T73 M74	I58-V70 HydrophobicContact CG2-CG1 4.21Å; A62-V70 HydrophobicContact CB-CG1 4.39Å; A62-V70 HydrophobicContact CB-CG2 4.3Å; S68-V70 PolarHBondContact O-N 3.13Å; V70-T72 PolarHBondContact O-N 2.99Å; V70-T73 PolarHBondContact O-N 2.66Å; V70-M74 VanDerWaalsContact O-CB 3.3Å; V70-M74 WeakPolarHBondContact O-CB 3.49Å; V70-M74 PolarHBondContact O-N 3.19Å
71	M	81.2	Confident	84.2	Confident	144 Å²	144	65.9 Å²	65.9	71%	0.709	37%	0.369	S	S	*	.	H	α-helix	trans	-60.7	-45.2	-177.7	-174	61.4	75.1	0	0	112.4	S69 T73 M74 L75	S69-M71 VanDerWaalsContact C-N 3.32Å; S69-M71 PolarHBondContact O-N 2.74Å; M71-T73 PolarHBondContact O-N 3.03Å; M71-M74 PolarHBondContact O-N 3.23Å; M71-L75 WeakPolarHBondContact O-CB 3.03Å; M71-L75 PolarHBondContact O-N 3.24Å
72	T	82.7	Confident	84.4	Confident	50 Å²	50	67.2 Å²	67.2	31%	0.307	38%	0.375	S	S	.	.	H	α-helix	trans	-67.2	-39	179	57.6	0	0	0	0	112	S69 V70 L75 Q76	S69-T72 PolarHBondContact O-N 2.87Å; S69-T72 PolarHBondContact O-OG1 3.21Å; S69-T72 VanDerWaalsContact OG-CB 3.31Å; S69-T72 WeakPolarHBondContact OG-CB 3.42Å; S69-T72 WeakPolarHBondContact OG-CG2 3.42Å; S69-T72 PolarHBondContact OG-N 3.28Å; S69-T72 PolarHBondContact OG-OG1 3.45Å; V70-T72 PolarHBondContact O-N 2.99Å; T72-L75 PolarHBondContact O-N 2.93Å; T72-Q76 VanDerWaalsContact O-CG 3.31Å; T72-Q76 WeakPolarHBondContact O-CG 3.28Å; T72-Q76 PolarHBondContact O-N 3.36Å; T72-Q76 VanDerWaalsContact O-N 3.1Å
73	T	84.9	Confident	84.7	Confident	8 Å²	8	64 Å²	64	5%	0.049	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-42.9	179.4	-50.1	0	0	0	0	110.2	E57 I58 S69 V70 M71 Q76 V77	E57-T73 HydrophobicContact CB-CG2 4.25Å; I58-T73 HydrophobicContact CG1-CG2 4.31Å; S69-T73 PolarHBondContact O-N 3.47Å; S69-T73 VanDerWaalsContact O-N 3.15Å; S69-T73 PolarHBondContact O-OG1 3.31Å; V70-T73 PolarHBondContact O-N 2.66Å; M71-T73 PolarHBondContact O-N 3.03Å; T73-Q76 PolarHBondContact O-N 2.93Å; T73-V77 HydrophobicContact CG2-CG2 4.39Å; T73-V77 WeakPolarHBondContact O-CB 3.48Å; T73-V77 VanDerWaalsContact O-CG2 3.28Å; T73-V77 WeakPolarHBondContact O-CG2 3.32Å; T73-V77 PolarHBondContact O-N 2.99Å
74	M	86.1	Confident	85	Confident	94 Å²	94	58.5 Å²	58.5	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-59.9	-49.1	175	-176.1	-179.9	178.4	0	0	111.3	I58 V70 M71 Q76 V77 S78	I58-M74 HydrophobicContact CD1-CB 4.39Å; I58-M74 HydrophobicContact CD1-CG 4.39Å; I58-M74 HydrophobicContact CG2-CB 4.32Å; V70-M74 VanDerWaalsContact O-CB 3.3Å; V70-M74 WeakPolarHBondContact O-CB 3.49Å; V70-M74 PolarHBondContact O-N 3.19Å; M71-M74 PolarHBondContact O-N 3.23Å; M74-Q76 VanDerWaalsContact C-N 3.33Å; M74-Q76 PolarHBondContact O-N 2.52Å; M74-V77 PolarHBondContact O-N 2.72Å; M74-S78 WeakPolarHBondContact O-CB 3.27Å; M74-S78 PolarHBondContact O-N 3.04Å; M74-S78 PolarHBondContact O-OG 2.83Å
75	L	85.8	Confident	85.5	Confident	93 Å²	93	60.3 Å²	60.3	49%	0.487	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-42.3	-179.9	-174.4	62.9	0	0	0	112.3	M71 T72 S79 M199	M71-L75 WeakPolarHBondContact O-CB 3.03Å; M71-L75 PolarHBondContact O-N 3.24Å; T72-L75 PolarHBondContact O-N 2.93Å; L75-S79 PolarHBondContact O-N 3.43Å; L75-S79 VanDerWaalsContact O-N 3.15Å; L75-M199 HydrophobicContact CD2-SD 3.92Å; L75-M199 HydrophobicContact CG-SD 4.41Å
76	Q	85	Confident	85.9	Confident	72 Å²	72	58.8 Å²	58.8	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-64.1	-46	177	-75.4	175.6	-13.6	0	0	112.9	T72 T73 M74 S79 M199	T72-Q76 VanDerWaalsContact O-CG 3.31Å; T72-Q76 WeakPolarHBondContact O-CG 3.28Å; T72-Q76 PolarHBondContact O-N 3.36Å; T72-Q76 VanDerWaalsContact O-N 3.1Å; T73-Q76 PolarHBondContact O-N 2.93Å; M74-Q76 VanDerWaalsContact C-N 3.33Å; M74-Q76 PolarHBondContact O-N 2.52Å; Q76-S79 PolarHBondContact O-OG 2.9Å; Q76-S79 VanDerWaalsContact O-OG 3.11Å; Q76-M199 HydrophobicContact CG-CE 3.19Å; Q76-M199 HydrophobicContact CG-SD 4.37Å
77	V	89.4	Confident	86.3	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-71.8	-42	-177	171.8	0	0	0	0	110.1	A54 V55 I58 T73 M74 S79 R80 L81	A54-V77 HydrophobicContact CB-CG1 4.09Å; A54-V77 HydrophobicContact CB-CG2 4Å; V55-V77 HydrophobicContact CG2-CG1 4.27Å; I58-V77 HydrophobicContact CD1-CB 3.99Å; I58-V77 HydrophobicContact CD1-CG1 3.92Å; I58-V77 HydrophobicContact CG1-CB 4.29Å; I58-V77 HydrophobicContact CG1-CG1 4.45Å; I58-V77 HydrophobicContact CG1-CG2 4.33Å; T73-V77 HydrophobicContact CG2-CG2 4.39Å; T73-V77 WeakPolarHBondContact O-CB 3.48Å; T73-V77 VanDerWaalsContact O-CG2 3.28Å; T73-V77 WeakPolarHBondContact O-CG2 3.32Å; T73-V77 PolarHBondContact O-N 2.99Å; M74-V77 PolarHBondContact O-N 2.72Å; V77-S79 PolarHBondContact O-N 3.12Å; V77-R80 PolarHBondContact O-N 2.99Å; V77-L81 HydrophobicContact CG1-CD1 3.65Å; V77-L81 HydrophobicContact CG1-CG 4.15Å; V77-L81 WeakPolarHBondContact O-CB 3.18Å; V77-L81 VanDerWaalsContact O-CG 3.27Å; V77-L81 WeakPolarHBondContact O-CG 3.38Å; V77-L81 PolarHBondContact O-N 3.09Å
78	S	87.7	Confident	87	Confident	53 Å²	53	44.5 Å²	44.5	37%	0.371	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-40.1	178.3	-66.3	0	0	0	0	112.8	M74 R80 L81 L82	M74-S78 WeakPolarHBondContact O-CB 3.27Å; M74-S78 PolarHBondContact O-N 3.04Å; M74-S78 PolarHBondContact O-OG 2.83Å; S78-R80 PolarHBondContact O-N 2.84Å; S78-L81 PolarHBondContact O-N 3.43Å; S78-L82 WeakPolarHBondContact O-CB 3.19Å; S78-L82 PolarHBondContact O-N 2.96Å
79	S	87.6	Confident	87.6	Confident	25 Å²	25	48.1 Å²	48.1	18%	0.175	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-44.6	179.6	73.4	0	0	0	0	111.9	L75 Q76 V77 L82 V83	L75-S79 PolarHBondContact O-N 3.43Å; L75-S79 VanDerWaalsContact O-N 3.15Å; Q76-S79 PolarHBondContact O-OG 2.9Å; Q76-S79 VanDerWaalsContact O-OG 3.11Å; V77-S79 PolarHBondContact O-N 3.12Å; S79-L82 WeakPolarHBondContact O-CB 3.29Å; S79-L82 PolarHBondContact O-N 3.4Å; S79-V83 PolarHBondContact O-N 2.94Å
80	R	91.5	Very high	87.8	Confident	46 Å²	46	47.9 Å²	47.9	17%	0.174	24%	0.242	C	C	.	.	H	α-helix	trans	-71.4	-38.3	178.6	-66.9	-169.1	-178.5	167.2	4.1	112.8	Q51 V77 S78 L82 V83 V84 W108 E112	Q51-R80 VanDerWaalsContact CD-CB 3.43Å; Q51-R80 HydrophobicContact CG-CB 4.04Å; V77-R80 PolarHBondContact O-N 2.99Å; S78-R80 PolarHBondContact O-N 2.84Å; R80-L82 PolarHBondContact O-N 3.43Å; R80-V83 PolarHBondContact O-N 3.44Å; R80-V84 WeakPolarHBondContact O-CB 3.15Å; R80-V84 WeakPolarHBondContact O-CG2 3.04Å; R80-V84 PolarHBondContact O-N 3.49Å; R80-W108 HydrophobicContact CB-CH2 3.84Å; R80-W108 HydrophobicContact CB-CZ2 3.96Å; R80-W108 HydrophobicContact CB-CZ3 4.32Å; R80-W108 HydrophobicContact CG-CD2 4.42Å; R80-W108 HydrophobicContact CG-CH2 3.99Å; R80-W108 HydrophobicContact CG-CZ2 3.58Å; R80-E112 IonicContact CZ-OE1 3.63Å; R80-E112 IonicContact NH1-OE1 3.61Å; R80-E112 PolarHBondContact NH1-OE1 2.85Å; R80-E112 IonicContact NH2-OE1 2.68Å
81	L	92.1	Very high	88.1	Confident	33 Å²	33	45.2 Å²	45.2	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-38.8	172.8	-76.6	172	0	0	0	111.4	Q51 V55 V77 S78 V83 V84 W85	Q51-L81 HydrophobicContact CG-CD2 3.96Å; Q51-L81 HydrophobicContact CG-CG 4.31Å; V55-L81 HydrophobicContact CG2-CD1 3.61Å; V77-L81 HydrophobicContact CG1-CD1 3.65Å; V77-L81 HydrophobicContact CG1-CG 4.15Å; V77-L81 WeakPolarHBondContact O-CB 3.18Å; V77-L81 VanDerWaalsContact O-CG 3.27Å; V77-L81 WeakPolarHBondContact O-CG 3.38Å; V77-L81 PolarHBondContact O-N 3.09Å; S78-L81 PolarHBondContact O-N 3.43Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 PolarHBondContact O-N 2.89Å; L81-V84 PolarHBondContact O-N 3.41Å; L81-W85 WeakPolarHBondContact O-CB 3.23Å; L81-W85 PolarHBondContact O-N 2.96Å
82	L	90.5	Very high	88.4	Confident	38 Å²	38	41.5 Å²	41.5	20%	0.199	21%	0.213	C	C	.	.	I	π-helix	trans	-63.9	-39	175.9	176.5	145.2	0	0	0	112.4	S78 S79 R80 G86 I87 I154 F185 I188	S78-L82 WeakPolarHBondContact O-CB 3.19Å; S78-L82 PolarHBondContact O-N 2.96Å; S79-L82 WeakPolarHBondContact O-CB 3.29Å; S79-L82 PolarHBondContact O-N 3.4Å; R80-L82 PolarHBondContact O-N 3.43Å; L82-G86 CarbonylContact O-C 3.51Å; L82-G86 WeakPolarHBondContact O-CA 3.39Å; L82-G86 PolarHBondContact O-N 2.92Å; L82-I87 PolarHBondContact O-N 3.33Å; L82-I154 HydrophobicContact CD2-CD1 4.07Å; L82-I154 HydrophobicContact CD2-CG1 4.34Å; L82-F185 HydrophobicContact CD1-CE1 4.3Å; L82-F185 HydrophobicContact CD2-CD1 3.93Å; L82-F185 HydrophobicContact CD2-CE1 3.71Å; L82-F185 HydrophobicContact CG-CD1 4.44Å; L82-F185 HydrophobicContact CG-CE1 3.88Å; L82-I188 HydrophobicContact CD1-CB 4.47Å; L82-I188 HydrophobicContact CD1-CD1 3.35Å; L82-I188 HydrophobicContact CD1-CG1 4.32Å; L82-I188 HydrophobicContact CD1-CG2 3.79Å; L82-I188 HydrophobicContact CD2-CG2 4.3Å
83	V	91.5	Very high	88.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-67.4	-44.7	176	172.7	0	0	0	0	110.5	S79 R80 L81 I87 L88 I104 W108 E150 L153 I154	S79-V83 PolarHBondContact O-N 2.94Å; R80-V83 PolarHBondContact O-N 3.44Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-V83 PolarHBondContact O-N 2.89Å; V83-I87 WeakPolarHBondContact O-CA 3.12Å; V83-I87 VanDerWaalsContact O-CB 3.31Å; V83-I87 WeakPolarHBondContact O-CB 3.5Å; V83-I87 PolarHBondContact O-N 2.48Å; V83-I87 VanDerWaalsContact O-N 3.16Å; V83-L88 PolarHBondContact O-N 2.84Å; V83-I104 HydrophobicContact CG1-CD1 4.25Å; V83-W108 HydrophobicContact CB-CH2 4.11Å; V83-W108 HydrophobicContact CG1-CH2 4.06Å; V83-E150 HydrophobicContact CG2-CB 4Å; V83-E150 HydrophobicContact CG2-CG 3.96Å; V83-L153 HydrophobicContact CG1-CB 4.4Å; V83-L153 HydrophobicContact CG1-CD1 3.77Å; V83-I154 HydrophobicContact CG2-CD1 4Å; V83-I154 HydrophobicContact CG2-CG1 4.16Å
84	V	92.8	Very high	88.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-72.3	-49.1	-175.3	168.9	0	0	0	0	112.7	L47 R48 Q51 R80 L81 L88 Y89 W108	L47-V84 HydrophobicContact CD2-CG2 4.15Å; L47-V84 HydrophobicContact CG-CG2 4.16Å; R48-V84 HydrophobicContact CB-CG1 4.03Å; R48-V84 HydrophobicContact CG-CG1 3.25Å; Q51-V84 HydrophobicContact CB-CG2 4.39Å; Q51-V84 HydrophobicContact CG-CG2 4.16Å; R80-V84 WeakPolarHBondContact O-CB 3.15Å; R80-V84 WeakPolarHBondContact O-CG2 3.04Å; R80-V84 PolarHBondContact O-N 3.49Å; L81-V84 PolarHBondContact O-N 3.41Å; V84-L88 HydrophobicContact CG2-CD1 4.42Å; V84-L88 WeakPolarHBondContact O-CB 3.22Å; V84-Y89 PolarHBondContact O-N 3.49Å; V84-Y89 VanDerWaalsContact O-N 3.1Å; V84-W108 HydrophobicContact CG2-CH2 3.85Å; V84-W108 HydrophobicContact CG2-CZ3 3.53Å
85	W	91.9	Very high	88.7	Confident	97 Å²	97	38.9 Å²	38.9	37%	0.367	20%	0.198	S	C	.	.	I	π-helix	trans	-89.5	-35.3	-179.6	-71.6	104.1	0	0	0	113.2	R48 S52 L81 Y89 M90	R48-W85 HydrophobicContact CB-CZ2 4.24Å; S52-W85 PolarHBondContact OG-NE1 3.33Å; L81-W85 WeakPolarHBondContact O-CB 3.23Å; L81-W85 PolarHBondContact O-N 2.96Å; W85-Y89 HydrophobicContact CE3-CD1 4.04Å; W85-Y89 HydrophobicContact CE3-CD2 4.46Å; W85-Y89 AromaticContact CE3-CG 3.96Å; W85-Y89 HydrophobicContact CE3-CG 3.96Å; W85-Y89 HydrophobicContact CZ3-CD1 4.34Å; W85-Y89 HydrophobicContact CZ3-CD2 4.26Å; W85-Y89 HydrophobicContact CZ3-CE2 4.42Å; W85-Y89 HydrophobicContact CZ3-CG 4.19Å; W85-Y89 WeakPolarHBondContact O-CB 3.42Å; W85-M90 WeakPolarHBondContact O-CG 3.41Å
86	G	86.9	Confident	88.8	Confident	15 Å²	15	42.5 Å²	42.5	16%	0.155	21%	0.205	C	C	.	.	I	π-helix	trans	-83.1	-33.1	-176.9	0	0	0	0	0	113.7	L82 M90 F185	L82-G86 CarbonylContact O-C 3.51Å; L82-G86 WeakPolarHBondContact O-CA 3.39Å; L82-G86 PolarHBondContact O-N 2.92Å; G86-M90 WeakPolarHBondContact O-CB 3.2Å; G86-F185 VanDerWaalsContact O-CZ 3.24Å; G86-F185 WeakPolarHBondContact O-CZ 3.35Å
87	I	88.7	Confident	88.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-105.8	-63.1	-179.8	-55.8	-62.9	0	0	0	111.2	L82 V83 Y89 V91 V94 L153 I154 F185	L82-I87 PolarHBondContact O-N 3.33Å; V83-I87 WeakPolarHBondContact O-CA 3.12Å; V83-I87 VanDerWaalsContact O-CB 3.31Å; V83-I87 WeakPolarHBondContact O-CB 3.5Å; V83-I87 PolarHBondContact O-N 2.48Å; V83-I87 VanDerWaalsContact O-N 3.16Å; I87-Y89 VanDerWaalsContact C-N 3.33Å; I87-Y89 PolarHBondContact O-N 3.47Å; I87-V91 CarbonylContact O-C 3.45Å; I87-V91 WeakPolarHBondContact O-CA 3.21Å; I87-V91 PolarHBondContact O-N 3.41Å; I87-V94 HydrophobicContact CG2-CB 4.2Å; I87-V94 HydrophobicContact CG2-CG1 3.79Å; I87-V94 HydrophobicContact CG2-CG2 4.47Å; I87-L153 HydrophobicContact CG2-CB 4.28Å; I87-L153 WeakPolarHBondContact CG2-O 3.43Å; I87-I154 HydrophobicContact CD1-CG1 4.49Å; I87-I154 HydrophobicContact CG1-CG1 4.07Å; I87-F185 HydrophobicContact CD1-CD1 3.62Å; I87-F185 HydrophobicContact CD1-CD2 4.26Å; I87-F185 HydrophobicContact CD1-CE1 3.41Å; I87-F185 VanDerWaalsContact CD1-CE1 3.41Å; I87-F185 HydrophobicContact CD1-CE2 4.09Å; I87-F185 HydrophobicContact CD1-CG 4.06Å; I87-F185 HydrophobicContact CD1-CZ 3.69Å; I87-F185 HydrophobicContact CG1-CD1 4.37Å; I87-F185 HydrophobicContact CG1-CE1 3.93Å; I87-F185 HydrophobicContact CG1-CZ 4.42Å
88	L	90.5	Very high	88.9	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.227	C	C	.	.	I	π-helix	trans	-64.1	-37.4	-171.9	-62.7	175	0	0	0	112.7	L39 L47 V83 V84 P92 A95 I104 L153	L39-L88 HydrophobicContact CD2-CD1 3.94Å; L39-L88 HydrophobicContact CD2-CD2 4.34Å; L47-L88 HydrophobicContact CD2-CD1 3.97Å; V83-L88 PolarHBondContact O-N 2.84Å; V84-L88 HydrophobicContact CG2-CD1 4.42Å; V84-L88 WeakPolarHBondContact O-CB 3.22Å; L88-P92 WeakPolarHBondContact O-CA 3.46Å; L88-A95 HydrophobicContact CD2-CB 3.82Å; L88-I104 HydrophobicContact CD1-CD1 3.95Å; L88-L153 HydrophobicContact CD2-CD1 4.3Å; L88-L153 HydrophobicContact CD2-CD2 4.12Å
89	Y	90	Very high	89.1	Confident	117 Å²	117	48.3 Å²	48.3	46%	0.459	23%	0.233	S	C	.	.	I	π-helix	trans	-81.4	-44.1	178.3	-179.4	-101.2	0	0	0	113.7	V84 W85 I87	V84-Y89 PolarHBondContact O-N 3.49Å; V84-Y89 VanDerWaalsContact O-N 3.1Å; W85-Y89 HydrophobicContact CE3-CD1 4.04Å; W85-Y89 HydrophobicContact CE3-CD2 4.46Å; W85-Y89 AromaticContact CE3-CG 3.96Å; W85-Y89 HydrophobicContact CE3-CG 3.96Å; W85-Y89 HydrophobicContact CZ3-CD1 4.34Å; W85-Y89 HydrophobicContact CZ3-CD2 4.26Å; W85-Y89 HydrophobicContact CZ3-CE2 4.42Å; W85-Y89 HydrophobicContact CZ3-CG 4.19Å; W85-Y89 WeakPolarHBondContact O-CB 3.42Å; I87-Y89 VanDerWaalsContact C-N 3.33Å; I87-Y89 PolarHBondContact O-N 3.47Å
90	M	86.1	Confident	89.3	Confident	55 Å²	55	47.1 Å²	47.1	27%	0.271	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-29.5	-177.9	-61.5	-58.5	166	0	0	113	W85 G86 Y167	W85-M90 WeakPolarHBondContact O-CG 3.41Å; G86-M90 WeakPolarHBondContact O-CB 3.2Å; M90-Y167 HydrophobicContact CB-CE2 4.21Å
91	V	87.1	Confident	89.3	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	22%	0.217	C	C	.	.			trans	-130.8	68.6	-177.2	-161.7	0	0	0	0	109.3	I87 E93 V94 R160 L161	I87-V91 CarbonylContact O-C 3.45Å; I87-V91 WeakPolarHBondContact O-CA 3.21Å; I87-V91 PolarHBondContact O-N 3.41Å; V91-E93 PolarHBondContact O-N 3.23Å; V91-V94 HydrophobicContact CB-CG2 3.9Å; V91-V94 HydrophobicContact CG1-CG2 3.51Å; V91-V94 WeakPolarHBondContact O-CB 3.07Å; V91-V94 PolarHBondContact O-N 3.1Å; V91-R160 HydrophobicContact CG1-CB 3.83Å; V91-R160 HydrophobicContact CG1-CG 3.4Å; V91-R160 VanDerWaalsContact CG1-CG 3.4Å; V91-L161 HydrophobicContact CG2-CD1 4.29Å; V91-L161 HydrophobicContact CG2-CD2 3.71Å; V91-L161 HydrophobicContact CG2-CG 3.83Å
92	P	88	Confident	89.4	Confident	66 Å²	66	44.1 Å²	44.1	43%	0.429	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-60.6	-19.4	-174.2	26.2	-35.5	0	0	0	113.4	L88 V94 A95	L88-P92 WeakPolarHBondContact O-CA 3.46Å; P92-V94 PolarHBondContact O-N 3.27Å; P92-A95 WeakPolarHBondContact O-CB 3.49Å; P92-A95 PolarHBondContact O-N 2.63Å
93	E	87.1	Confident	89.6	Confident	77 Å²	77	44.3 Å²	44.3	36%	0.36	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-63.2	-30.3	174.3	-58.5	79.5	-174.8	0	0	112.4	V91 A95 R96	V91-E93 PolarHBondContact O-N 3.23Å; E93-A95 PolarHBondContact O-N 3.06Å; E93-R96 PolarHBondContact O-N 3.34Å; E93-R96 VanDerWaalsContact O-N 3.08Å
94	V	88.4	Confident	89.7	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.055	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-66.3	-23.6	178.6	176.3	0	0	0	0	111.5	I87 V91 P92 R96 N98 L153 R160	I87-V94 HydrophobicContact CG2-CB 4.2Å; I87-V94 HydrophobicContact CG2-CG1 3.79Å; I87-V94 HydrophobicContact CG2-CG2 4.47Å; V91-V94 HydrophobicContact CB-CG2 3.9Å; V91-V94 HydrophobicContact CG1-CG2 3.51Å; V91-V94 WeakPolarHBondContact O-CB 3.07Å; V91-V94 PolarHBondContact O-N 3.1Å; P92-V94 PolarHBondContact O-N 3.27Å; V94-R96 PolarHBondContact O-N 3.43Å; V94-N98 WeakPolarHBondContact O-CB 3.27Å; V94-N98 PolarHBondContact O-ND2 3.16Å; V94-L153 HydrophobicContact CG1-CD2 3.88Å; V94-R160 HydrophobicContact CG2-CB 4.26Å
95	A	85.3	Confident	89.8	Confident	10 Å²	10	44.3 Å²	44.3	8%	0.083	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-79.2	-2	177.4	0	0	0	0	0	113.2	E38 L39 L88 P92 E93	E38-A95 WeakPolarHBondContact CA-O 3.12Å; L39-A95 HydrophobicContact CB-CB 3.96Å; L39-A95 HydrophobicContact CD2-CB 4.43Å; L39-A95 PolarHBondContact N-O 3Å; L88-A95 HydrophobicContact CD2-CB 3.82Å; P92-A95 WeakPolarHBondContact O-CB 3.49Å; P92-A95 PolarHBondContact O-N 2.63Å; E93-A95 PolarHBondContact O-N 3.06Å
96	R	86.6	Confident	89.9	Confident	169 Å²	169	42.3 Å²	42.3	64%	0.638	21%	0.21	S	C	*	.	S	Bend	trans	-104.4	124.6	176.1	-59.6	-177.6	-178.5	168.6	2.7	109.9	E38 E93 V94 N98	E38-R96 HydrophobicContact CG-CG 4.37Å; E93-R96 PolarHBondContact O-N 3.34Å; E93-R96 VanDerWaalsContact O-N 3.08Å; V94-R96 PolarHBondContact O-N 3.43Å; R96-N98 PolarHBondContact O-N 3.39Å
97	D	85.8	Confident	90.3	Very high	141 Å²	141	42 Å²	42	75%	0.754	21%	0.206	S	C	*	.	S	Bend	trans	58.6	43.7	175.7	-152.9	25	0	0	0	114.3	F37	F37-D97 WeakPolarHBondContact O-CA 3.42Å; F37-D97 PolarHBondContact O-N 2.97Å
98	N	90	Very high	90.6	Very high	14 Å²	14	42.2 Å²	42.2	8%	0.075	21%	0.207	C	C	.	.			trans	-121.5	125.3	179.3	-164.3	-32.4	0	0	0	111.8	F37 V94 R96 G100 V101 P102 L153 S156	F37-N98 PolarHBondContact O-N 3.38Å; V94-N98 WeakPolarHBondContact O-CB 3.27Å; V94-N98 PolarHBondContact O-ND2 3.16Å; R96-N98 PolarHBondContact O-N 3.39Å; N98-G100 PolarHBondContact O-N 3.03Å; N98-G100 VanDerWaalsContact O-N 3.12Å; N98-G100 PolarHBondContact OD1-N 3.41Å; N98-V101 HydrophobicContact CB-CG2 4.34Å; N98-V101 WeakPolarHBondContact O-CB 3.47Å; N98-V101 PolarHBondContact O-N 2.75Å; N98-V101 VanDerWaalsContact O-N 3.1Å; N98-P102 WeakPolarHBondContact O-CD 3.28Å; N98-L153 HydrophobicContact CB-CD2 4.34Å; N98-S156 VanDerWaalsContact ND2-CB 3.26Å; N98-S156 WeakPolarHBondContact ND2-CB 3.08Å; N98-S156 PolarHBondContact ND2-OG 2.97Å
99	L	92.6	Very high	90.8	Very high	97 Å²	97	42 Å²	42	51%	0.508	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.6	175.3	-175.4	67.5	0	0	0	112.7	F37 V101 P102 L103 L152	F37-L99 HydrophobicContact CD1-CD1 4.23Å; F37-L99 HydrophobicContact CE1-CD1 3.57Å; F37-L99 HydrophobicContact CZ-CD1 4.49Å; L99-V101 VanDerWaalsContact C-N 3.27Å; L99-V101 PolarHBondContact O-N 3.46Å; L99-P102 VanDerWaalsContact O-CD 3.3Å; L99-P102 WeakPolarHBondContact O-CD 3.42Å; L99-P102 WeakPolarHBondContact O-CG 3.41Å; L99-L103 HydrophobicContact CG-CD1 4.18Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L152 HydrophobicContact CB-CD1 4.29Å; L99-L152 HydrophobicContact CD2-CD1 4.12Å; L99-L152 HydrophobicContact CG-CD1 4.28Å
100	G	91.8	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-29.6	177.7	0	0	0	0	0	113.9	N98 L103 I104	N98-G100 PolarHBondContact O-N 3.03Å; N98-G100 VanDerWaalsContact O-N 3.12Å; N98-G100 PolarHBondContact OD1-N 3.41Å; G100-L103 PolarHBondContact O-N 3.08Å; G100-I104 WeakPolarHBondContact O-CG1 3.15Å; G100-I104 PolarHBondContact O-N 3.26Å
101	V	92.4	Very high	91.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-59.3	-179.2	174.9	0	0	0	0	112.6	Y26 L39 N98 L99 L103 I104 V105 L153	Y26-V101 HydrophobicContact CE2-CG1 4.31Å; L39-V101 HydrophobicContact CB-CG1 3.84Å; L39-V101 HydrophobicContact CB-CG2 4.47Å; L39-V101 HydrophobicContact CD1-CG1 3.94Å; L39-V101 HydrophobicContact CG-CG1 4.44Å; N98-V101 HydrophobicContact CB-CG2 4.34Å; N98-V101 WeakPolarHBondContact O-CB 3.47Å; N98-V101 PolarHBondContact O-N 2.75Å; N98-V101 VanDerWaalsContact O-N 3.1Å; L99-V101 VanDerWaalsContact C-N 3.27Å; L99-V101 PolarHBondContact O-N 3.46Å; V101-L103 PolarHBondContact O-N 2.8Å; V101-I104 VanDerWaalsContact O-CG1 3.32Å; V101-I104 WeakPolarHBondContact O-CG1 3.49Å; V101-I104 PolarHBondContact O-N 3.44Å; V101-V105 HydrophobicContact CG1-CG2 4.33Å; V101-V105 WeakPolarHBondContact O-CG2 3.31Å; V101-V105 PolarHBondContact O-N 3.08Å; V101-L153 HydrophobicContact CG2-CD2 4.05Å
102	P	93.7	Very high	91.7	Very high	17 Å²	17	38.2 Å²	38.2	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-38.1	178.3	16.1	-27.6	0	0	0	112.1	Y26 F37 N98 L99 I106	Y26-P102 WeakPolarHBondContact OH-CA 3.36Å; Y26-P102 WeakPolarHBondContact OH-CB 3.33Å; F37-P102 HydrophobicContact CD1-CG 3.94Å; F37-P102 HydrophobicContact CE1-CG 4.24Å; N98-P102 WeakPolarHBondContact O-CD 3.28Å; L99-P102 VanDerWaalsContact O-CD 3.3Å; L99-P102 WeakPolarHBondContact O-CD 3.42Å; L99-P102 WeakPolarHBondContact O-CG 3.41Å; P102-I106 HydrophobicContact CB-CD1 4.36Å; P102-I106 VanDerWaalsContact O-CB 3.25Å; P102-I106 WeakPolarHBondContact O-CB 3.27Å; P102-I106 VanDerWaalsContact O-CG1 3.3Å; P102-I106 WeakPolarHBondContact O-CG1 3.2Å; P102-I106 PolarHBondContact O-N 3.35Å
103	L	93.9	Very high	92.1	Very high	42 Å²	42	37.9 Å²	37.9	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-48.5	-179.9	-71.7	173.9	0	0	0	111.7	L99 G100 V101 S107 L152	L99-L103 HydrophobicContact CG-CD1 4.18Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; G100-L103 PolarHBondContact O-N 3.08Å; V101-L103 PolarHBondContact O-N 2.8Å; L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 2.68Å; L103-S107 VanDerWaalsContact O-N 3.12Å; L103-S107 PolarHBondContact O-OG 3.39Å; L103-L152 HydrophobicContact CD1-CD1 3.89Å
104	I	94.4	Very high	92.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.5	-45	178.6	63.6	159.2	0	0	0	111.7	L47 V83 L88 G100 V101 I106 W108 E150 L153	L47-I104 HydrophobicContact CD2-CD1 4.3Å; V83-I104 HydrophobicContact CG1-CD1 4.25Å; L88-I104 HydrophobicContact CD1-CD1 3.95Å; G100-I104 WeakPolarHBondContact O-CG1 3.15Å; G100-I104 PolarHBondContact O-N 3.26Å; V101-I104 VanDerWaalsContact O-CG1 3.32Å; V101-I104 WeakPolarHBondContact O-CG1 3.49Å; V101-I104 PolarHBondContact O-N 3.44Å; I104-I106 PolarHBondContact O-N 3.35Å; I104-W108 HydrophobicContact CB-CD2 4.07Å; I104-W108 HydrophobicContact CB-CE3 4.42Å; I104-W108 HydrophobicContact CB-CH2 4.4Å; I104-W108 HydrophobicContact CB-CZ2 4.06Å; I104-W108 HydrophobicContact CD1-CH2 4.15Å; I104-W108 HydrophobicContact CD1-CZ3 4.19Å; I104-W108 HydrophobicContact CG2-CZ2 4.05Å; I104-W108 WeakPolarHBondContact O-CB 3.11Å; I104-W108 PolarHBondContact O-N 3.21Å; I104-E150 HydrophobicContact CG2-CG 4.01Å; I104-L153 HydrophobicContact CD1-CD1 3.35Å; I104-L153 HydrophobicContact CG1-CD1 3.83Å; I104-L153 HydrophobicContact CG2-CD1 3.94Å
105	V	94.6	Very high	92.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-47.5	-172.2	175.9	0	0	0	0	110.2	I22 Y26 L39 V43 L47 V101 S109	I22-V105 HydrophobicContact CG2-CG1 4.21Å; Y26-V105 HydrophobicContact CD1-CB 4.28Å; Y26-V105 HydrophobicContact CD1-CG1 3.69Å; Y26-V105 HydrophobicContact CD2-CG1 4.02Å; Y26-V105 HydrophobicContact CE1-CB 4.36Å; Y26-V105 HydrophobicContact CE1-CG1 4.27Å; Y26-V105 HydrophobicContact CG-CB 4.36Å; Y26-V105 HydrophobicContact CG-CG1 3.54Å; L39-V105 HydrophobicContact CD1-CG2 3.85Å; V43-V105 HydrophobicContact CG1-CG1 4.22Å; V43-V105 HydrophobicContact CG1-CG2 4.46Å; L47-V105 HydrophobicContact CD2-CG2 4.45Å; V101-V105 HydrophobicContact CG1-CG2 4.33Å; V101-V105 WeakPolarHBondContact O-CG2 3.31Å; V101-V105 PolarHBondContact O-N 3.08Å; V105-S109 WeakPolarHBondContact O-CB 3.2Å; V105-S109 PolarHBondContact O-N 2.91Å; V105-S109 PolarHBondContact O-OG 3.48Å
106	I	94.9	Very high	92.9	Very high	54 Å²	54	36.5 Å²	36.5	28%	0.277	18%	0.181	S	C	.	.	H	α-helix	trans	-69.7	-50.8	-179.5	-62.4	172.3	0	0	0	110	L23 Y26 P102 I104 W108 S109 I110	L23-I106 HydrophobicContact CD1-CG1 4.34Å; L23-I106 HydrophobicContact CD1-CG2 4.5Å; Y26-I106 HydrophobicContact CD1-CG1 4.17Å; Y26-I106 HydrophobicContact CE1-CD1 4.09Å; Y26-I106 HydrophobicContact CE1-CG1 3.88Å; P102-I106 HydrophobicContact CB-CD1 4.36Å; P102-I106 VanDerWaalsContact O-CB 3.25Å; P102-I106 WeakPolarHBondContact O-CB 3.27Å; P102-I106 VanDerWaalsContact O-CG1 3.3Å; P102-I106 WeakPolarHBondContact O-CG1 3.2Å; P102-I106 PolarHBondContact O-N 3.35Å; I104-I106 PolarHBondContact O-N 3.35Å; I106-W108 PolarHBondContact O-N 2.82Å; I106-S109 PolarHBondContact O-N 3.32Å; I106-I110 HydrophobicContact CG2-CD1 3.65Å; I106-I110 HydrophobicContact CG2-CG1 4.42Å; I106-I110 VanDerWaalsContact O-CG1 3.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.43Å; I106-I110 PolarHBondContact O-N 3.39Å
107	S	94.8	Very high	93.3	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.063	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-40.4	-174.3	-62.8	0	0	0	0	112.5	L103 A111 T145	L103-S107 WeakPolarHBondContact O-CB 3.46Å; L103-S107 PolarHBondContact O-N 2.68Å; L103-S107 VanDerWaalsContact O-N 3.12Å; L103-S107 PolarHBondContact O-OG 3.39Å; S107-A111 WeakPolarHBondContact O-CB 3.47Å; S107-A111 PolarHBondContact O-N 3.44Å; S107-T145 VanDerWaalsContact OG-CB 3.32Å; S107-T145 WeakPolarHBondContact OG-CB 3.29Å; S107-T145 PolarHBondContact OG-OG1 2.83Å
108	W	95	Very high	93.5	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-66.4	-48.3	175.2	-64.8	-3.4	0	0	0	110.7	W19 L47 R80 V83 V84 I104 I106 I110 A111 E112 E150	W19-W108 HydrophobicContact CH2-CB 4.27Å; W19-W108 HydrophobicContact CH2-CE3 4.32Å; W19-W108 HydrophobicContact CZ3-CB 3.95Å; L47-W108 HydrophobicContact CD1-CE3 3.99Å; L47-W108 HydrophobicContact CD1-CZ3 4.25Å; L47-W108 HydrophobicContact CD2-CZ3 4.41Å; L47-W108 HydrophobicContact CG-CZ3 4.48Å; R80-W108 HydrophobicContact CB-CH2 3.84Å; R80-W108 HydrophobicContact CB-CZ2 3.96Å; R80-W108 HydrophobicContact CB-CZ3 4.32Å; R80-W108 HydrophobicContact CG-CD2 4.42Å; R80-W108 HydrophobicContact CG-CH2 3.99Å; R80-W108 HydrophobicContact CG-CZ2 3.58Å; V83-W108 HydrophobicContact CB-CH2 4.11Å; V83-W108 HydrophobicContact CG1-CH2 4.06Å; V84-W108 HydrophobicContact CG2-CH2 3.85Å; V84-W108 HydrophobicContact CG2-CZ3 3.53Å; I104-W108 HydrophobicContact CB-CD2 4.07Å; I104-W108 HydrophobicContact CB-CE3 4.42Å; I104-W108 HydrophobicContact CB-CH2 4.4Å; I104-W108 HydrophobicContact CB-CZ2 4.06Å; I104-W108 HydrophobicContact CD1-CH2 4.15Å; I104-W108 HydrophobicContact CD1-CZ3 4.19Å; I104-W108 HydrophobicContact CG2-CZ2 4.05Å; I104-W108 WeakPolarHBondContact O-CB 3.11Å; I104-W108 PolarHBondContact O-N 3.21Å; I106-W108 PolarHBondContact O-N 2.82Å; W108-I110 VanDerWaalsContact C-N 3.35Å; W108-I110 PolarHBondContact O-N 3.22Å; W108-A111 PolarHBondContact O-N 3.22Å; W108-A111 VanDerWaalsContact O-N 3.16Å; W108-E112 WeakPolarHBondContact O-CB 3.13Å; W108-E112 WeakPolarHBondContact O-CG 3.2Å; W108-E112 PolarHBondContact O-N 3.42Å; W108-E150 HydrophobicContact CZ2-CG 3.65Å; W108-E150 VanDerWaalsContact CZ2-OE1 3.26Å; W108-E150 WeakPolarHBondContact CZ2-OE1 3.46Å; W108-E150 PolarHBondContact NE1-OE1 2.95Å
109	S	95.3	Very high	93.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-44.3	-177.7	-54.9	0	0	0	0	112.4	V105 I106 E112 M113	V105-S109 WeakPolarHBondContact O-CB 3.2Å; V105-S109 PolarHBondContact O-N 2.91Å; V105-S109 PolarHBondContact O-OG 3.48Å; I106-S109 PolarHBondContact O-N 3.32Å; S109-E112 PolarHBondContact O-N 3.01Å; S109-M113 WeakPolarHBondContact O-CB 3.16Å; S109-M113 WeakPolarHBondContact O-CG 3.3Å; S109-M113 PolarHBondContact O-N 3.19Å
110	I	95	Very high	93.5	Very high	60 Å²	60	24.3 Å²	24.3	31%	0.308	13%	0.127	S	C	.	.	H	α-helix	trans	-64.8	-44.7	176.8	-64.3	173.1	0	0	0	110.9	L23 I106 W108 E112 M113 I114 L142	L23-I110 HydrophobicContact CD2-CG1 3.98Å; I106-I110 HydrophobicContact CG2-CD1 3.65Å; I106-I110 HydrophobicContact CG2-CG1 4.42Å; I106-I110 VanDerWaalsContact O-CG1 3.32Å; I106-I110 WeakPolarHBondContact O-CG1 3.43Å; I106-I110 PolarHBondContact O-N 3.39Å; W108-I110 VanDerWaalsContact C-N 3.35Å; W108-I110 PolarHBondContact O-N 3.22Å; I110-E112 VanDerWaalsContact C-N 3.31Å; I110-E112 PolarHBondContact O-N 3.23Å; I110-M113 PolarHBondContact O-N 2.97Å; I110-I114 HydrophobicContact CG2-CD1 3.86Å; I110-I114 VanDerWaalsContact O-CG1 3.3Å; I110-I114 WeakPolarHBondContact O-CG1 3.36Å; I110-I114 PolarHBondContact O-N 3.41Å; I110-L142 HydrophobicContact CB-CD1 4.38Å; I110-L142 HydrophobicContact CB-CD2 3.97Å; I110-L142 HydrophobicContact CG2-CD1 3.77Å; I110-L142 HydrophobicContact CG2-CD2 3.9Å; I110-L142 HydrophobicContact CG2-CG 4.49Å
111	A	93.9	Very high	93.5	Very high	26 Å²	26	25 Å²	25	22%	0.215	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-43	179.2	0	0	0	0	0	111.7	S107 W108 I114 R115 L142	S107-A111 WeakPolarHBondContact O-CB 3.47Å; S107-A111 PolarHBondContact O-N 3.44Å; W108-A111 PolarHBondContact O-N 3.22Å; W108-A111 VanDerWaalsContact O-N 3.16Å; A111-I114 PolarHBondContact O-N 3.46Å; A111-R115 VanDerWaalsContact O-CB 3.31Å; A111-R115 WeakPolarHBondContact O-CB 3.25Å; A111-R115 PolarHBondContact O-N 3.32Å; A111-L142 HydrophobicContact CB-CB 4.45Å; A111-L142 HydrophobicContact CB-CD1 4.1Å
112	E	93.2	Very high	93.3	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.033	16%	0.159	C	C	.	.	H	α-helix	trans	-68.5	-43.5	179.2	-69.6	-51.8	136.3	0	0	112.2	W19 R80 W108 S109 I110 I114 R115 Y116	W19-E112 HydrophobicContact CB-CB 4.04Å; W19-E112 HydrophobicContact CD2-CB 3.61Å; W19-E112 HydrophobicContact CD2-CG 3.77Å; W19-E112 HydrophobicContact CE3-CB 4.26Å; W19-E112 HydrophobicContact CE3-CG 4.24Å; W19-E112 HydrophobicContact CG-CB 3.49Å; W19-E112 VanDerWaalsContact CG-CB 3.49Å; W19-E112 HydrophobicContact CG-CG 4.16Å; W19-E112 HydrophobicContact CH2-CG 4.27Å; W19-E112 HydrophobicContact CZ2-CG 3.84Å; W19-E112 HydrophobicContact CZ3-CG 4.46Å; R80-E112 IonicContact CZ-OE1 3.63Å; R80-E112 IonicContact NH1-OE1 3.61Å; R80-E112 PolarHBondContact NH1-OE1 2.85Å; R80-E112 IonicContact NH2-OE1 2.68Å; W108-E112 WeakPolarHBondContact O-CB 3.13Å; W108-E112 WeakPolarHBondContact O-CG 3.2Å; W108-E112 PolarHBondContact O-N 3.42Å; S109-E112 PolarHBondContact O-N 3.01Å; I110-E112 VanDerWaalsContact C-N 3.31Å; I110-E112 PolarHBondContact O-N 3.23Å; E112-I114 VanDerWaalsContact C-N 3.33Å; E112-I114 PolarHBondContact O-N 2.93Å; E112-R115 WeakPolarHBondContact O-CB 3.32Å; E112-R115 PolarHBondContact O-N 2.96Å; E112-R115 VanDerWaalsContact O-N 3.13Å; E112-R115 IonicContact OE1-CZ 3.1Å; E112-R115 IonicContact OE1-NE 2.68Å; E112-R115 PolarHBondContact OE1-NE 3.37Å; E112-R115 IonicContact OE1-NH2 3.39Å; E112-R115 IonicContact OE2-CZ 3.23Å; E112-R115 IonicContact OE2-NE 2.72Å; E112-R115 PolarHBondContact OE2-NE 3.11Å; E112-R115 IonicContact OE2-NH2 2.99Å; E112-R115 PolarHBondContact OE2-NH2 3.06Å; E112-Y116 HydrophobicContact CB-CD2 4.16Å; E112-Y116 HydrophobicContact CB-CE2 3.93Å; E112-Y116 HydrophobicContact CG-CE2 4.43Å; E112-Y116 WeakPolarHBondContact O-CD2 3.35Å; E112-Y116 PolarHBondContact O-N 3.38Å; E112-Y116 WeakPolarHBondContact OE2-CE2 3.35Å
113	M	95	Very high	93.1	Very high	60 Å²	60	30.2 Å²	30.2	30%	0.296	16%	0.159	S	C	.	.	H	α-helix	trans	-58	-45.4	174.5	-73.5	174.6	72.2	0	0	112	L16 W19 L23 S109 I110 R115 S117	L16-M113 HydrophobicContact CD1-CB 3.97Å; L16-M113 HydrophobicContact CD1-CG 4.12Å; L16-M113 WeakPolarHBondContact CD1-O 3.36Å; W19-M113 HydrophobicContact CB-CG 4.12Å; L23-M113 HydrophobicContact CD2-SD 3.89Å; S109-M113 WeakPolarHBondContact O-CB 3.16Å; S109-M113 WeakPolarHBondContact O-CG 3.3Å; S109-M113 PolarHBondContact O-N 3.19Å; I110-M113 PolarHBondContact O-N 2.97Å; M113-R115 VanDerWaalsContact C-N 3.33Å; M113-R115 PolarHBondContact O-N 2.84Å; M113-S117 WeakPolarHBondContact O-CB 3.35Å; M113-S117 PolarHBondContact O-N 3.15Å; M113-S117 PolarHBondContact O-OG 3.03Å
114	I	93.7	Very high	92.8	Very high	25 Å²	25	31.9 Å²	31.9	13%	0.128	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-43.8	176.5	-67	166.7	0	0	0	110.4	I110 A111 E112 Y118 L131 L134 R135 L142	I110-I114 HydrophobicContact CG2-CD1 3.86Å; I110-I114 VanDerWaalsContact O-CG1 3.3Å; I110-I114 WeakPolarHBondContact O-CG1 3.36Å; I110-I114 PolarHBondContact O-N 3.41Å; A111-I114 PolarHBondContact O-N 3.46Å; E112-I114 VanDerWaalsContact C-N 3.33Å; E112-I114 PolarHBondContact O-N 2.93Å; I114-Y118 WeakPolarHBondContact O-CB 3.41Å; I114-Y118 PolarHBondContact O-N 2.95Å; I114-L131 HydrophobicContact CG2-CD1 4.47Å; I114-L134 HydrophobicContact CD1-CB 4.42Å; I114-L134 HydrophobicContact CG2-CB 4.07Å; I114-R135 HydrophobicContact CG2-CB 4.12Å; I114-L142 HydrophobicContact CD1-CD1 3.99Å
115	R	91.9	Very high	92.4	Very high	40 Å²	40	41.7 Å²	41.7	15%	0.151	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-53.1	-177.7	-177.2	169.9	76.1	128.1	12.2	112	E57 A111 E112 M113 Y118 Y119	E57-R115 VanDerWaalsContact CD-NH2 3.33Å; E57-R115 IonicContact OE1-CZ 3.54Å; E57-R115 IonicContact OE1-NH2 3.01Å; E57-R115 PolarHBondContact OE1-NH2 3.4Å; E57-R115 IonicContact OE2-CZ 3.87Å; E57-R115 VanDerWaalsContact OE2-CZ 3.23Å; E57-R115 IonicContact OE2-NH1 2.84Å; E57-R115 PolarHBondContact OE2-NH1 3.33Å; E57-R115 IonicContact OE2-NH2 2.62Å; E57-R115 PolarHBondContact OE2-NH2 3.1Å; A111-R115 VanDerWaalsContact O-CB 3.31Å; A111-R115 WeakPolarHBondContact O-CB 3.25Å; A111-R115 PolarHBondContact O-N 3.32Å; E112-R115 WeakPolarHBondContact O-CB 3.32Å; E112-R115 PolarHBondContact O-N 2.96Å; E112-R115 VanDerWaalsContact O-N 3.13Å; E112-R115 IonicContact OE1-CZ 3.1Å; E112-R115 IonicContact OE1-NE 2.68Å; E112-R115 PolarHBondContact OE1-NE 3.37Å; E112-R115 IonicContact OE1-NH2 3.39Å; E112-R115 IonicContact OE2-CZ 3.23Å; E112-R115 IonicContact OE2-NE 2.72Å; E112-R115 PolarHBondContact OE2-NE 3.11Å; E112-R115 IonicContact OE2-NH2 2.99Å; E112-R115 PolarHBondContact OE2-NH2 3.06Å; M113-R115 VanDerWaalsContact C-N 3.33Å; M113-R115 PolarHBondContact O-N 2.84Å; R115-Y118 PolarHBondContact O-N 2.96Å; R115-Y119 HydrophobicContact CG-CD2 4.14Å; R115-Y119 HydrophobicContact CG-CE2 3.49Å; R115-Y119 VanDerWaalsContact CG-CE2 3.49Å; R115-Y119 WeakPolarHBondContact O-CD2 3.17Å; R115-Y119 PolarHBondContact O-N 3.11Å; R115-Y119 VanDerWaalsContact O-N 3.07Å
116	Y	93	Very high	92.1	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-36.9	-179.3	-65.4	-59.6	0	0	0	112.1	Y11 N12 Q15 W19 E57 E112 Y118 Y119 V120	Y11-Y116 HydrophobicContact CE1-CE1 4.46Å; N12-Y116 HydrophobicContact CB-CD1 4.2Å; N12-Y116 WeakPolarHBondContact OD1-CD1 3.06Å; Q15-Y116 HydrophobicContact CB-CD1 3.77Å; Q15-Y116 HydrophobicContact CB-CD2 3.71Å; Q15-Y116 HydrophobicContact CB-CE1 3.58Å; Q15-Y116 HydrophobicContact CB-CE2 3.53Å; Q15-Y116 HydrophobicContact CB-CG 3.83Å; Q15-Y116 VanDerWaalsContact CB-CZ 3.44Å; Q15-Y116 HydrophobicContact CG-CD1 4.43Å; Q15-Y116 HydrophobicContact CG-CE1 3.82Å; Q15-Y116 HydrophobicContact CG-CE2 4.23Å; Q15-Y116 PolarHBondContact OE1-OH 2.95Å; W19-Y116 AromaticContact CD1-CE2 3.48Å; W19-Y116 VanDerWaalsContact CD1-CE2 3.48Å; W19-Y116 AromaticContact NE1-CE2 3.66Å; E57-Y116 VanDerWaalsContact OE1-CE1 3.3Å; E57-Y116 WeakPolarHBondContact OE1-CE1 3.42Å; E57-Y116 VanDerWaalsContact OE1-CZ 3.28Å; E57-Y116 PolarHBondContact OE1-OH 3.25Å; E112-Y116 HydrophobicContact CB-CD2 4.16Å; E112-Y116 HydrophobicContact CB-CE2 3.93Å; E112-Y116 HydrophobicContact CG-CE2 4.43Å; E112-Y116 WeakPolarHBondContact O-CD2 3.35Å; E112-Y116 PolarHBondContact O-N 3.38Å; E112-Y116 WeakPolarHBondContact OE2-CE2 3.35Å; Y116-Y118 VanDerWaalsContact C-N 3.28Å; Y116-Y118 PolarHBondContact O-N 3.47Å; Y116-Y119 HydrophobicContact CD1-CD2 4.2Å; Y116-Y119 PolarHBondContact O-N 3.49Å; Y116-Y119 VanDerWaalsContact O-N 3.15Å; Y116-V120 WeakPolarHBondContact O-CG2 3.33Å; Y116-V120 PolarHBondContact O-N 3.24Å
117	S	93.6	Very high	91.6	Very high	35 Å²	35	51.9 Å²	51.9	25%	0.245	26%	0.259	C	S	.	.	H	α-helix	trans	-57	-44.7	172	-63.8	0	0	0	0	111.1	L16 M113 Y119 V120 A121	L16-S117 VanDerWaalsContact CD1-OG 3.29Å; L16-S117 WeakPolarHBondContact CD1-OG 3.36Å; M113-S117 WeakPolarHBondContact O-CB 3.35Å; M113-S117 PolarHBondContact O-N 3.15Å; M113-S117 PolarHBondContact O-OG 3.03Å; S117-Y119 PolarHBondContact O-N 3.49Å; S117-V120 PolarHBondContact O-N 2.65Å; S117-A121 WeakPolarHBondContact O-CB 3.44Å; S117-A121 PolarHBondContact O-N 2.89Å
118	Y	91.8	Very high	91.2	Very high	46 Å²	46	55.7 Å²	55.7	18%	0.18	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-41.5	177.2	179.6	-81.7	0	0	0	111.8	I114 R115 Y116 A121 D122 T132 R135	I114-Y118 WeakPolarHBondContact O-CB 3.41Å; I114-Y118 PolarHBondContact O-N 2.95Å; R115-Y118 PolarHBondContact O-N 2.96Å; Y116-Y118 VanDerWaalsContact C-N 3.28Å; Y116-Y118 PolarHBondContact O-N 3.47Å; Y118-A121 PolarHBondContact O-N 3.42Å; Y118-D122 HydrophobicContact CE1-CB 4.43Å; Y118-D122 WeakPolarHBondContact O-CB 3.41Å; Y118-D122 PolarHBondContact O-N 2.92Å; Y118-T132 HydrophobicContact CE2-CG2 4.25Å; Y118-R135 VanDerWaalsContact CD1-CZ 3.5Å; Y118-R135 HydrophobicContact CD2-CB 4.21Å; Y118-R135 VanDerWaalsContact CD2-CD 3.41Å; Y118-R135 HydrophobicContact CD2-CG 4.46Å
119	Y	90.3	Very high	90.7	Very high	43 Å²	43	61.6 Å²	61.6	17%	0.169	31%	0.31	C	S	.	.	H	α-helix	trans	-65.3	-40.8	178.1	-66.1	-33.1	0	0	0	112.6	R115 Y116 S117 D122 I123 R135	R115-Y119 HydrophobicContact CG-CD2 4.14Å; R115-Y119 HydrophobicContact CG-CE2 3.49Å; R115-Y119 VanDerWaalsContact CG-CE2 3.49Å; R115-Y119 WeakPolarHBondContact O-CD2 3.17Å; R115-Y119 PolarHBondContact O-N 3.11Å; R115-Y119 VanDerWaalsContact O-N 3.07Å; Y116-Y119 HydrophobicContact CD1-CD2 4.2Å; Y116-Y119 PolarHBondContact O-N 3.49Å; Y116-Y119 VanDerWaalsContact O-N 3.15Å; S117-Y119 PolarHBondContact O-N 3.49Å; Y119-D122 PolarHBondContact O-N 2.92Å; Y119-I123 WeakPolarHBondContact O-CB 2.96Å; Y119-I123 WeakPolarHBondContact O-CD1 3.46Å; Y119-I123 WeakPolarHBondContact O-CG1 3.5Å; Y119-I123 PolarHBondContact O-N 2.59Å; Y119-R135 PolarHBondContact OH-NH2 3.2Å; Y119-R135 VanDerWaalsContact OH-NH2 3.12Å
120	V	91.5	Very high	90.3	Very high	41 Å²	41	67.4 Å²	67.4	25%	0.248	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-46.2	173.9	174.5	0	0	0	0	110.4	N12 Y116 S117 D122 I123 C124	N12-V120 HydrophobicContact CB-CG2 3.74Å; Y116-V120 WeakPolarHBondContact O-CG2 3.33Å; Y116-V120 PolarHBondContact O-N 3.24Å; S117-V120 PolarHBondContact O-N 2.65Å; V120-D122 PolarHBondContact O-N 2.73Å; V120-I123 PolarHBondContact O-N 2.93Å; V120-C124 WeakPolarHBondContact O-CB 3.35Å; V120-C124 PolarHBondContact O-N 2.99Å; V120-C124 PolarHBondContact O-SG 3.04Å; V120-C124 VanDerWaalsContact O-SG 3.41Å
121	A	91.1	Very high	90	Very high	15 Å²	15	65.7 Å²	65.7	12%	0.124	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-43.2	178.1	0	0	0	0	0	112.7	S117 Y118 I123 C124 R125 V126 L131	S117-A121 WeakPolarHBondContact O-CB 3.44Å; S117-A121 PolarHBondContact O-N 2.89Å; Y118-A121 PolarHBondContact O-N 3.42Å; A121-I123 PolarHBondContact O-N 3.29Å; A121-C124 CarbonylContact O-C 3.56Å; A121-C124 PolarHBondContact O-N 2.91Å; A121-R125 PolarHBondContact O-N 3.49Å; A121-V126 PolarHBondContact O-N 2.68Å; A121-L131 HydrophobicContact CB-CD2 3.9Å
122	D	88.7	Confident	89.7	Confident	103 Å²	103	65.5 Å²	65.5	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-63.1	-41.2	176.8	-173.9	62.5	0	0	0	111.9	Y118 Y119 V120 C124 R125	Y118-D122 HydrophobicContact CE1-CB 4.43Å; Y118-D122 WeakPolarHBondContact O-CB 3.41Å; Y118-D122 PolarHBondContact O-N 2.92Å; Y119-D122 PolarHBondContact O-N 2.92Å; V120-D122 PolarHBondContact O-N 2.73Å; D122-C124 VanDerWaalsContact C-N 3.35Å; D122-C124 PolarHBondContact O-N 3.49Å; D122-R125 PolarHBondContact O-N 2.72Å; D122-R125 VanDerWaalsContact O-N 3.07Å
123	I	88.8	Confident	89.5	Confident	23 Å²	23	71.3 Å²	71.3	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-41.7	175.5	-73	167.4	0	0	0	111.3	M1 K5 L8 Y119 V120 A121 R125	M1-I123 HydrophobicContact CE-CG2 3.03Å; K5-I123 HydrophobicContact CB-CG2 4.41Å; L8-I123 HydrophobicContact CB-CD1 3.69Å; Y119-I123 WeakPolarHBondContact O-CB 2.96Å; Y119-I123 WeakPolarHBondContact O-CD1 3.46Å; Y119-I123 WeakPolarHBondContact O-CG1 3.5Å; Y119-I123 PolarHBondContact O-N 2.59Å; V120-I123 PolarHBondContact O-N 2.93Å; A121-I123 PolarHBondContact O-N 3.29Å; I123-R125 PolarHBondContact O-N 3.12Å
124	C	88.8	Confident	89.2	Confident	77 Å²	77	71.2 Å²	71.2	52%	0.52	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-3.7	175.2	-68.2	0	0	0	0	113.6	V120 A121 D122 V126	V120-C124 WeakPolarHBondContact O-CB 3.35Å; V120-C124 PolarHBondContact O-N 2.99Å; V120-C124 PolarHBondContact O-SG 3.04Å; V120-C124 VanDerWaalsContact O-SG 3.41Å; A121-C124 CarbonylContact O-C 3.56Å; A121-C124 PolarHBondContact O-N 2.91Å; D122-C124 VanDerWaalsContact C-N 3.35Å; D122-C124 PolarHBondContact O-N 3.49Å; C124-V126 HydrophobicContact CB-CG2 4.03Å; C124-V126 PolarHBondContact O-N 2.99Å
125	R	86.6	Confident	89	Confident	206 Å²	206	72.9 Å²	72.9	78%	0.777	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	25.4	-174.2	-58.4	178.7	166.8	170.3	-3.4	113.8	A121 D122 I123	A121-R125 PolarHBondContact O-N 3.49Å; D122-R125 PolarHBondContact O-N 2.72Å; D122-R125 VanDerWaalsContact O-N 3.07Å; I123-R125 PolarHBondContact O-N 3.12Å
126	V	87.5	Confident	88.8	Confident	76 Å²	76	72.7 Å²	72.7	46%	0.461	35%	0.354	S	S	.	.			trans	-93.5	113.5	175.7	-176.7	0	0	0	0	108.3	A121 C124 L128	A121-V126 PolarHBondContact O-N 2.68Å; C124-V126 HydrophobicContact CB-CG2 4.03Å; C124-V126 PolarHBondContact O-N 2.99Å; V126-L128 HydrophobicContact CG1-CD2 3.94Å; V126-L128 HydrophobicContact CG1-CG 3.98Å; V126-L128 PolarHBondContact O-N 3.48Å
127	K	84	Confident	88.6	Confident	192 Å²	192	72.8 Å²	72.8	84%	0.835	36%	0.356	S	S	*	.			trans	-88.8	103.9	175.6	-68.9	-174.2	179	-178.4	0	109.8
128	L	86.9	Confident	88.3	Confident	89 Å²	89	71.8 Å²	71.8	47%	0.466	35%	0.351	S	S	.	.			trans	-99.6	108.6	172.4	-62.9	177.9	0	0	0	109.4	V126 L130 L131 T132	V126-L128 HydrophobicContact CG1-CD2 3.94Å; V126-L128 HydrophobicContact CG1-CG 3.98Å; V126-L128 PolarHBondContact O-N 3.48Å; L128-L130 VanDerWaalsContact C-N 3.27Å; L128-L130 PolarHBondContact O-N 2.99Å; L128-L131 HydrophobicContact CB-CB 3.78Å; L128-L131 HydrophobicContact CD1-CD2 4.23Å; L128-L131 PolarHBondContact O-N 3.17Å; L128-L131 VanDerWaalsContact O-N 3.09Å; L128-T132 PolarHBondContact O-N 3.22Å; L128-T132 PolarHBondContact O-OG1 3.12Å
129	N	83.8	Confident	88.1	Confident	128 Å²	128	70.6 Å²	70.6	68%	0.684	35%	0.346	S	S	*	.	H	α-helix	trans	-57.3	-41.2	-178.8	-70.5	-10	0	0	0	112	L131 T132 W133	N129-L131 VanDerWaalsContact C-N 3.35Å; N129-L131 PolarHBondContact O-N 2.85Å; N129-T132 PolarHBondContact O-N 3.05Å; N129-W133 VanDerWaalsContact O-CB 3.32Å; N129-W133 WeakPolarHBondContact O-CB 3.45Å; N129-W133 PolarHBondContact O-N 3.23Å
130	L	88.3	Confident	88	Confident	122 Å²	122	71.7 Å²	71.7	64%	0.639	35%	0.354	S	S	*	.	H	α-helix	trans	-60.6	-43.3	176.6	-178.6	62.7	0	0	0	112	L128 W133 L134	L128-L130 VanDerWaalsContact C-N 3.27Å; L128-L130 PolarHBondContact O-N 2.99Å; L130-W133 HydrophobicContact CD1-CE3 4.49Å; L130-W133 PolarHBondContact O-N 2.68Å; L130-L134 HydrophobicContact CD1-CD1 4.49Å; L130-L134 HydrophobicContact CD1-CG 4.46Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 WeakPolarHBondContact O-CB 3.31Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 2.9Å
131	L	88.8	Confident	88	Confident	25 Å²	25	75.6 Å²	75.6	13%	0.131	37%	0.372	C	S	.	.	H	α-helix	trans	-71.2	-39.5	-178.1	-172.8	59.1	0	0	0	111.9	I114 A121 L128 N129 W133 L134 R135	I114-L131 HydrophobicContact CG2-CD1 4.47Å; A121-L131 HydrophobicContact CB-CD2 3.9Å; L128-L131 HydrophobicContact CB-CB 3.78Å; L128-L131 HydrophobicContact CD1-CD2 4.23Å; L128-L131 PolarHBondContact O-N 3.17Å; L128-L131 VanDerWaalsContact O-N 3.09Å; N129-L131 VanDerWaalsContact C-N 3.35Å; N129-L131 PolarHBondContact O-N 2.85Å; L131-W133 VanDerWaalsContact C-N 3.33Å; L131-L134 PolarHBondContact O-N 3Å; L131-R135 WeakPolarHBondContact O-CB 3.26Å; L131-R135 PolarHBondContact O-N 2.97Å
132	T	86.4	Confident	88	Confident	22 Å²	22	76.2 Å²	76.2	14%	0.135	37%	0.373	C	S	.	.	H	α-helix	trans	-60.6	-46.1	171.1	-57.1	0	0	0	0	110.3	Y118 L128 N129 L134 R135 Y136 V210	Y118-T132 HydrophobicContact CE2-CG2 4.25Å; L128-T132 PolarHBondContact O-N 3.22Å; L128-T132 PolarHBondContact O-OG1 3.12Å; N129-T132 PolarHBondContact O-N 3.05Å; T132-L134 PolarHBondContact O-N 3.01Å; T132-R135 PolarHBondContact O-N 2.95Å; T132-Y136 HydrophobicContact CG2-CD2 3.92Å; T132-Y136 HydrophobicContact CG2-CE2 4.12Å; T132-Y136 VanDerWaalsContact O-CD2 3.24Å; T132-Y136 WeakPolarHBondContact O-CD2 3.37Å; T132-Y136 PolarHBondContact O-N 2.96Å; T132-Y136 VanDerWaalsContact O-N 3.07Å; T132-V210 HydrophobicContact CG2-CG1 4.12Å
133	W	88.7	Confident	88	Confident	129 Å²	129	73.4 Å²	73.4	49%	0.489	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-45.7	176.9	-178.9	89	0	0	0	112	N129 L130 L131 R135 Y136 S137	N129-W133 VanDerWaalsContact O-CB 3.32Å; N129-W133 WeakPolarHBondContact O-CB 3.45Å; N129-W133 PolarHBondContact O-N 3.23Å; L130-W133 HydrophobicContact CD1-CE3 4.49Å; L130-W133 PolarHBondContact O-N 2.68Å; L131-W133 VanDerWaalsContact C-N 3.33Å; W133-R135 PolarHBondContact O-N 3.16Å; W133-Y136 CarbonylContact O-C 3.5Å; W133-Y136 PolarHBondContact O-N 3.41Å; W133-S137 PolarHBondContact NE1-OG 3.34Å; W133-S137 WeakPolarHBondContact O-CA 3.42Å; W133-S137 WeakPolarHBondContact O-CB 3.48Å; W133-S137 PolarHBondContact O-N 3.45Å; W133-S137 PolarHBondContact O-OG 2.96Å; W133-S137 VanDerWaalsContact O-OG 3.08Å
134	L	90.1	Very high	88.2	Confident	57 Å²	57	75 Å²	75	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-42.6	176.9	-77.5	171.8	0	0	0	111.8	I114 L130 L131 T132 Y136 S137 G138	I114-L134 HydrophobicContact CD1-CB 4.42Å; I114-L134 HydrophobicContact CG2-CB 4.07Å; L130-L134 HydrophobicContact CD1-CD1 4.49Å; L130-L134 HydrophobicContact CD1-CG 4.46Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 WeakPolarHBondContact O-CB 3.31Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 2.9Å; L131-L134 PolarHBondContact O-N 3Å; T132-L134 PolarHBondContact O-N 3.01Å; L134-Y136 VanDerWaalsContact C-N 3.35Å; L134-Y136 PolarHBondContact O-N 3.1Å; L134-S137 PolarHBondContact O-N 3.36Å; L134-G138 VanDerWaalsContact O-CA 3.29Å; L134-G138 WeakPolarHBondContact O-CA 3.49Å; L134-G138 PolarHBondContact O-N 3.23Å
135	R	88.7	Confident	88.4	Confident	60 Å²	60	73.2 Å²	73.2	23%	0.226	35%	0.354	C	S	.	.	H	α-helix	trans	-60.1	-44.2	176.2	176.9	178.2	179.3	113.3	3.3	112.2	I114 Y118 Y119 L131 T132 W133	I114-R135 HydrophobicContact CG2-CB 4.12Å; Y118-R135 VanDerWaalsContact CD1-CZ 3.5Å; Y118-R135 HydrophobicContact CD2-CB 4.21Å; Y118-R135 VanDerWaalsContact CD2-CD 3.41Å; Y118-R135 HydrophobicContact CD2-CG 4.46Å; Y119-R135 PolarHBondContact OH-NH2 3.2Å; Y119-R135 VanDerWaalsContact OH-NH2 3.12Å; L131-R135 WeakPolarHBondContact O-CB 3.26Å; L131-R135 PolarHBondContact O-N 2.97Å; T132-R135 PolarHBondContact O-N 2.95Å; W133-R135 PolarHBondContact O-N 3.16Å
136	Y	87.1	Confident	88.6	Confident	36 Å²	36	63.6 Å²	63.6	14%	0.141	32%	0.318	C	S	.	.	H	α-helix	trans	-93.8	1.3	-176	-69.3	-74.6	0	0	0	114.2	T132 W133 L134 F139 Q206 R207 V210	T132-Y136 HydrophobicContact CG2-CD2 3.92Å; T132-Y136 HydrophobicContact CG2-CE2 4.12Å; T132-Y136 VanDerWaalsContact O-CD2 3.24Å; T132-Y136 WeakPolarHBondContact O-CD2 3.37Å; T132-Y136 PolarHBondContact O-N 2.96Å; T132-Y136 VanDerWaalsContact O-N 3.07Å; W133-Y136 CarbonylContact O-C 3.5Å; W133-Y136 PolarHBondContact O-N 3.41Å; L134-Y136 VanDerWaalsContact C-N 3.35Å; L134-Y136 PolarHBondContact O-N 3.1Å; Y136-F139 WeakPolarHBondContact O-CE1 3.45Å; Y136-Q206 HydrophobicContact CE1-CB 4.39Å; Y136-R207 WeakPolarHBondContact O-CD 3.47Å; Y136-R207 VanDerWaalsContact O-CG 3.23Å; Y136-R207 WeakPolarHBondContact O-CG 3.43Å; Y136-V210 HydrophobicContact CD1-CB 4.49Å; Y136-V210 HydrophobicContact CD1-CG2 4.43Å; Y136-V210 HydrophobicContact CD2-CB 4.23Å; Y136-V210 HydrophobicContact CD2-CG1 3.81Å; Y136-V210 HydrophobicContact CE1-CB 4.38Å; Y136-V210 HydrophobicContact CE1-CG2 3.88Å; Y136-V210 HydrophobicContact CE2-CB 4.15Å; Y136-V210 HydrophobicContact CE2-CG1 3.65Å; Y136-V210 HydrophobicContact CE2-CG2 4.11Å; Y136-V210 HydrophobicContact CG-CB 4.43Å; Y136-V210 HydrophobicContact CG-CG1 4.46Å
137	S	89	Confident	88.8	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.028	30%	0.303	C	S	.	.	H	α-helix	trans	-126.6	-29.4	177.6	-57.3	0	0	0	0	112.8	W133 L134 F139 M140	W133-S137 PolarHBondContact NE1-OG 3.34Å; W133-S137 WeakPolarHBondContact O-CA 3.42Å; W133-S137 WeakPolarHBondContact O-CB 3.48Å; W133-S137 PolarHBondContact O-N 3.45Å; W133-S137 PolarHBondContact O-OG 2.96Å; W133-S137 VanDerWaalsContact O-OG 3.08Å; L134-S137 PolarHBondContact O-N 3.36Å; S137-F139 PolarHBondContact O-N 3.44Å; S137-M140 WeakPolarHBondContact O-CB 3.46Å; S137-M140 WeakPolarHBondContact O-CE 3Å; S137-M140 WeakPolarHBondContact O-CG 3.37Å; S137-M140 PolarHBondContact O-N 3.4Å
138	G	87	Confident	89.2	Confident	14 Å²	14	54.9 Å²	54.9	14%	0.144	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.6	-179.5	0	0	0	0	0	113.5	L134 M140 I141 L142	L134-G138 VanDerWaalsContact O-CA 3.29Å; L134-G138 WeakPolarHBondContact O-CA 3.49Å; L134-G138 PolarHBondContact O-N 3.23Å; G138-M140 PolarHBondContact O-N 2.96Å; G138-M140 VanDerWaalsContact O-N 3.12Å; G138-I141 PolarHBondContact O-N 3.43Å; G138-I141 VanDerWaalsContact O-N 3.17Å; G138-L142 WeakPolarHBondContact O-CB 3.5Å; G138-L142 WeakPolarHBondContact O-CG 3.4Å; G138-L142 PolarHBondContact O-N 2.98Å
139	F	87.7	Confident	89.5	Confident	20 Å²	20	50.6 Å²	50.6	9%	0.088	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-25.2	175.1	79.4	-99.4	0	0	0	112.6	Y136 S137 I141 Y143 P144 Y200 M203 M204 R207	Y136-F139 WeakPolarHBondContact O-CE1 3.45Å; S137-F139 PolarHBondContact O-N 3.44Å; F139-I141 PolarHBondContact O-N 3.19Å; F139-Y143 WeakPolarHBondContact O-CB 3.3Å; F139-Y143 PolarHBondContact O-N 2.79Å; F139-P144 WeakPolarHBondContact O-CD 3.35Å; F139-Y200 HydrophobicContact CD2-CD2 4.06Å; F139-Y200 AromaticContact CD2-CE2 3.79Å; F139-Y200 HydrophobicContact CD2-CE2 3.79Å; F139-Y200 HydrophobicContact CE2-CD2 4.08Å; F139-Y200 AromaticContact CE2-CE2 3.7Å; F139-Y200 HydrophobicContact CE2-CE2 3.7Å; F139-M203 HydrophobicContact CB-CE 4.31Å; F139-M203 HydrophobicContact CB-SD 4.07Å; F139-M203 HydrophobicContact CD1-CB 4.26Å; F139-M203 HydrophobicContact CD2-CB 4.02Å; F139-M203 HydrophobicContact CD2-CE 3.92Å; F139-M203 HydrophobicContact CD2-SD 4.28Å; F139-M203 HydrophobicContact CE1-CB 4.03Å; F139-M203 HydrophobicContact CE2-CB 3.85Å; F139-M203 HydrophobicContact CG-CB 4.25Å; F139-M203 HydrophobicContact CG-CE 4.29Å; F139-M203 HydrophobicContact CG-SD 4.11Å; F139-M203 HydrophobicContact CZ-CB 3.85Å; F139-M204 HydrophobicContact CE2-CG 3.99Å; F139-M204 HydrophobicContact CE2-SD 3.65Å; F139-M204 HydrophobicContact CZ-CG 4.03Å; F139-M204 HydrophobicContact CZ-SD 3.46Å; F139-M204 WeakPolarHBondContact CZ-SD 3.49Å; F139-R207 HydrophobicContact CE1-CB 4.18Å; F139-R207 HydrophobicContact CZ-CB 4.44Å
140	M	87.9	Confident	89.9	Confident	67 Å²	67	44.9 Å²	44.9	33%	0.33	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-29.4	-179.9	-66.3	-173.6	-67.7	0	0	112.5	S137 G138 P144 M204	S137-M140 WeakPolarHBondContact O-CB 3.46Å; S137-M140 WeakPolarHBondContact O-CE 3Å; S137-M140 WeakPolarHBondContact O-CG 3.37Å; S137-M140 PolarHBondContact O-N 3.4Å; G138-M140 PolarHBondContact O-N 2.96Å; G138-M140 VanDerWaalsContact O-N 3.12Å; M140-P144 VanDerWaalsContact O-CD 3.31Å; M140-P144 WeakPolarHBondContact O-CD 3.36Å; M140-P144 WeakPolarHBondContact O-CG 3.36Å; M140-M204 HydrophobicContact CG-SD 4.49Å
141	I	91.2	Very high	90.1	Very high	123 Å²	123	41 Å²	41	63%	0.631	21%	0.21	S	C	*	.	H	α-helix	trans	-103.7	-46.2	178.4	-60.2	172.8	0	0	0	110.6	G138 F139 Y143 P144 T145	G138-I141 PolarHBondContact O-N 3.43Å; G138-I141 VanDerWaalsContact O-N 3.17Å; F139-I141 PolarHBondContact O-N 3.19Å; I141-Y143 VanDerWaalsContact C-N 3.32Å; I141-Y143 PolarHBondContact O-N 3.18Å; I141-P144 WeakPolarHBondContact O-CD 3.2Å; I141-T145 WeakPolarHBondContact O-CG2 3.42Å; I141-T145 PolarHBondContact O-N 3.38Å; I141-T145 PolarHBondContact O-OG1 3.21Å
142	L	91.9	Very high	90.3	Very high	27 Å²	27	42.8 Å²	42.8	14%	0.141	22%	0.22	C	C	.	.	H	α-helix	trans	-70	-30.4	-173.2	-63	170.1	0	0	0	112.6	I110 A111 I114 G138 T145 G146	I110-L142 HydrophobicContact CB-CD1 4.38Å; I110-L142 HydrophobicContact CB-CD2 3.97Å; I110-L142 HydrophobicContact CG2-CD1 3.77Å; I110-L142 HydrophobicContact CG2-CD2 3.9Å; I110-L142 HydrophobicContact CG2-CG 4.49Å; A111-L142 HydrophobicContact CB-CB 4.45Å; A111-L142 HydrophobicContact CB-CD1 4.1Å; I114-L142 HydrophobicContact CD1-CD1 3.99Å; G138-L142 WeakPolarHBondContact O-CB 3.5Å; G138-L142 WeakPolarHBondContact O-CG 3.4Å; G138-L142 PolarHBondContact O-N 2.98Å; L142-T145 WeakPolarHBondContact CA-OG1 3.46Å; L142-T145 PolarHBondContact O-OG1 3.35Å; L142-T145 VanDerWaalsContact O-OG1 3.1Å; L142-G146 PolarHBondContact O-N 3.09Å
143	Y	89.5	Confident	90.6	Very high	45 Å²	45	41.7 Å²	41.7	18%	0.176	21%	0.213	C	C	.	.	H	α-helix	trans	-75.2	-48.7	-178.5	-169.7	-101.3	0	0	0	112.4	F139 I141 T145 G146 I147 S196 M199 Y200 M203	F139-Y143 WeakPolarHBondContact O-CB 3.3Å; F139-Y143 PolarHBondContact O-N 2.79Å; I141-Y143 VanDerWaalsContact C-N 3.32Å; I141-Y143 PolarHBondContact O-N 3.18Å; Y143-T145 PolarHBondContact O-N 3.5Å; Y143-G146 PolarHBondContact O-N 2.94Å; Y143-I147 HydrophobicContact CD1-CD1 3.39Å; Y143-I147 HydrophobicContact CD2-CD1 4.36Å; Y143-I147 HydrophobicContact CE1-CD1 3.08Å; Y143-I147 HydrophobicContact CE1-CG1 4.35Å; Y143-I147 HydrophobicContact CE2-CD1 4.09Å; Y143-I147 HydrophobicContact CG-CD1 4.05Å; Y143-I147 VanDerWaalsContact CZ-CD1 3.47Å; Y143-I147 WeakPolarHBondContact O-CB 3.41Å; Y143-I147 WeakPolarHBondContact O-CG1 3.32Å; Y143-I147 PolarHBondContact O-N 3.45Å; Y143-S196 WeakPolarHBondContact CE1-O 3.43Å; Y143-S196 VanDerWaalsContact OH-CA 3.28Å; Y143-S196 WeakPolarHBondContact OH-CA 3.32Å; Y143-S196 PolarHBondContact OH-O 2.79Å; Y143-M199 VanDerWaalsContact OH-CB 3.27Å; Y143-M199 WeakPolarHBondContact OH-CB 3.41Å; Y143-Y200 AromaticContact CD1-CD2 3.6Å; Y143-Y200 HydrophobicContact CD1-CD2 3.6Å; Y143-Y200 HydrophobicContact CD1-CE2 4.49Å; Y143-Y200 HydrophobicContact CD1-CG 4.37Å; Y143-Y200 HydrophobicContact CE1-CD2 4.07Å; Y143-Y200 HydrophobicContact CE1-CG 4.42Å; Y143-Y200 HydrophobicContact CG-CD2 4.44Å; Y143-M203 HydrophobicContact CD1-CE 4.01Å; Y143-M203 HydrophobicContact CD2-CE 3.61Å; Y143-M203 HydrophobicContact CE1-CE 4.08Å; Y143-M203 HydrophobicContact CE2-CE 3.71Å; Y143-M203 HydrophobicContact CG-CE 3.75Å
144	P	91.4	Very high	90.7	Very high	55 Å²	55	35.7 Å²	35.7	36%	0.357	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-41.1	173.9	-25.6	35.7	0	0	0	113.5	F139 M140 I141 S148	F139-P144 WeakPolarHBondContact O-CD 3.35Å; M140-P144 VanDerWaalsContact O-CD 3.31Å; M140-P144 WeakPolarHBondContact O-CD 3.36Å; M140-P144 WeakPolarHBondContact O-CG 3.36Å; I141-P144 WeakPolarHBondContact O-CD 3.2Å; P144-S148 VanDerWaalsContact O-CB 3.29Å; P144-S148 WeakPolarHBondContact O-CB 3.36Å; P144-S148 PolarHBondContact O-N 3.15Å; P144-S148 PolarHBondContact O-OG 3.26Å
145	T	93.6	Very high	90.7	Very high	41 Å²	41	36.4 Å²	36.4	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-66.4	-43.4	178.3	50.8	0	0	0	0	111.6	S107 I141 L142 Y143 S148 G149	S107-T145 VanDerWaalsContact OG-CB 3.32Å; S107-T145 WeakPolarHBondContact OG-CB 3.29Å; S107-T145 PolarHBondContact OG-OG1 2.83Å; I141-T145 WeakPolarHBondContact O-CG2 3.42Å; I141-T145 PolarHBondContact O-N 3.38Å; I141-T145 PolarHBondContact O-OG1 3.21Å; L142-T145 WeakPolarHBondContact CA-OG1 3.46Å; L142-T145 PolarHBondContact O-OG1 3.35Å; L142-T145 VanDerWaalsContact O-OG1 3.1Å; Y143-T145 PolarHBondContact O-N 3.5Å; T145-S148 PolarHBondContact O-N 3.33Å; T145-G149 PolarHBondContact O-N 3Å
146	G	92	Very high	90.8	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-51.5	174.6	0	0	0	0	0	112.6	L142 Y143 S148 G149 E150	L142-G146 PolarHBondContact O-N 3.09Å; Y143-G146 PolarHBondContact O-N 2.94Å; G146-S148 VanDerWaalsContact C-N 3.31Å; G146-S148 PolarHBondContact O-N 2.76Å; G146-G149 PolarHBondContact O-N 2.99Å; G146-G149 VanDerWaalsContact O-N 3.13Å; G146-E150 WeakPolarHBondContact O-CG 3.35Å; G146-E150 PolarHBondContact O-N 3.37Å
147	I	91.2	Very high	90.8	Very high	28 Å²	28	33.8 Å²	33.8	14%	0.144	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-44.7	176.5	-76.4	163	0	0	0	111.5	Y143 G149 E150 V151 Y192	Y143-I147 HydrophobicContact CD1-CD1 3.39Å; Y143-I147 HydrophobicContact CD2-CD1 4.36Å; Y143-I147 HydrophobicContact CE1-CD1 3.08Å; Y143-I147 HydrophobicContact CE1-CG1 4.35Å; Y143-I147 HydrophobicContact CE2-CD1 4.09Å; Y143-I147 HydrophobicContact CG-CD1 4.05Å; Y143-I147 VanDerWaalsContact CZ-CD1 3.47Å; Y143-I147 WeakPolarHBondContact O-CB 3.41Å; Y143-I147 WeakPolarHBondContact O-CG1 3.32Å; Y143-I147 PolarHBondContact O-N 3.45Å; I147-G149 VanDerWaalsContact C-N 3.26Å; I147-G149 PolarHBondContact O-N 3.27Å; I147-E150 PolarHBondContact O-N 3.1Å; I147-V151 HydrophobicContact CG2-CG2 4.13Å; I147-V151 WeakPolarHBondContact O-CB 3.31Å; I147-V151 VanDerWaalsContact O-CG2 3.26Å; I147-V151 WeakPolarHBondContact O-CG2 3.38Å; I147-V151 PolarHBondContact O-N 3.49Å; I147-Y192 HydrophobicContact CG1-CE1 4.25Å; I147-Y192 WeakPolarHBondContact CG1-OH 3.39Å; I147-Y192 HydrophobicContact CG2-CE1 4.05Å
148	S	92.8	Very high	90.7	Very high	57 Å²	57	34.9 Å²	34.9	40%	0.399	20%	0.198	S	C	.	.	H	α-helix	trans	-60.3	-41.9	179.4	-58.1	0	0	0	0	110.5	P144 T145 G146 L152	P144-S148 VanDerWaalsContact O-CB 3.29Å; P144-S148 WeakPolarHBondContact O-CB 3.36Å; P144-S148 PolarHBondContact O-N 3.15Å; P144-S148 PolarHBondContact O-OG 3.26Å; T145-S148 PolarHBondContact O-N 3.33Å; G146-S148 VanDerWaalsContact C-N 3.31Å; G146-S148 PolarHBondContact O-N 2.76Å; S148-L152 WeakPolarHBondContact O-CB 3.41Å; S148-L152 WeakPolarHBondContact O-CG 3.36Å; S148-L152 PolarHBondContact O-N 2.98Å
149	G	92.3	Very high	90.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-45.3	174.6	0	0	0	0	0	113.3	T145 G146 I147 L152 L153	T145-G149 PolarHBondContact O-N 3Å; G146-G149 PolarHBondContact O-N 2.99Å; G146-G149 VanDerWaalsContact O-N 3.13Å; I147-G149 VanDerWaalsContact C-N 3.26Å; I147-G149 PolarHBondContact O-N 3.27Å; G149-L152 PolarHBondContact O-N 3.41Å; G149-L153 WeakPolarHBondContact O-CG 3.41Å; G149-L153 PolarHBondContact O-N 3.3Å
150	E	91.9	Very high	90.6	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-47.2	177.1	-68.4	-178.8	-153	0	0	111.5	V83 I104 W108 G146 I147 L153 I154 Y192	V83-E150 HydrophobicContact CG2-CB 4Å; V83-E150 HydrophobicContact CG2-CG 3.96Å; I104-E150 HydrophobicContact CG2-CG 4.01Å; W108-E150 HydrophobicContact CZ2-CG 3.65Å; W108-E150 VanDerWaalsContact CZ2-OE1 3.26Å; W108-E150 WeakPolarHBondContact CZ2-OE1 3.46Å; W108-E150 PolarHBondContact NE1-OE1 2.95Å; G146-E150 WeakPolarHBondContact O-CG 3.35Å; G146-E150 PolarHBondContact O-N 3.37Å; I147-E150 PolarHBondContact O-N 3.1Å; E150-L153 PolarHBondContact O-N 2.75Å; E150-I154 WeakPolarHBondContact O-CB 3.37Å; E150-I154 WeakPolarHBondContact O-CD1 3.29Å; E150-I154 WeakPolarHBondContact O-CG1 3.38Å; E150-I154 PolarHBondContact O-N 3.1Å; E150-Y192 VanDerWaalsContact CD-OH 3.22Å; E150-Y192 PolarHBondContact OE2-OH 3.46Å
151	V	92.3	Very high	90.4	Very high	39 Å²	39	40.8 Å²	40.8	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-45.1	178.3	170.3	0	0	0	0	111	I147 L153 I154 V155 L189 Y192	I147-V151 HydrophobicContact CG2-CG2 4.13Å; I147-V151 WeakPolarHBondContact O-CB 3.31Å; I147-V151 VanDerWaalsContact O-CG2 3.26Å; I147-V151 WeakPolarHBondContact O-CG2 3.38Å; I147-V151 PolarHBondContact O-N 3.49Å; V151-L153 PolarHBondContact O-N 3.27Å; V151-I154 PolarHBondContact O-N 3.41Å; V151-V155 HydrophobicContact CG1-CG2 4.19Å; V151-V155 WeakPolarHBondContact O-CB 3.43Å; V151-V155 VanDerWaalsContact O-CG2 3.23Å; V151-V155 WeakPolarHBondContact O-CG2 3.47Å; V151-V155 PolarHBondContact O-N 3.08Å; V151-L189 HydrophobicContact CB-CD1 4.33Å; V151-L189 HydrophobicContact CG1-CD1 4.09Å; V151-L189 HydrophobicContact CG2-CD1 3.88Å; V151-Y192 HydrophobicContact CG2-CD1 4.34Å; V151-Y192 HydrophobicContact CG2-CE1 4.21Å
152	L	93	Very high	90	Very high	63 Å²	63	43.3 Å²	43.3	33%	0.33	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-45.5	178.2	-74.6	169.8	0	0	0	111.7	L99 L103 S148 G149 V155 S156	L99-L152 HydrophobicContact CB-CD1 4.29Å; L99-L152 HydrophobicContact CD2-CD1 4.12Å; L99-L152 HydrophobicContact CG-CD1 4.28Å; L103-L152 HydrophobicContact CD1-CD1 3.89Å; S148-L152 WeakPolarHBondContact O-CB 3.41Å; S148-L152 WeakPolarHBondContact O-CG 3.36Å; S148-L152 PolarHBondContact O-N 2.98Å; G149-L152 PolarHBondContact O-N 3.41Å; L152-V155 PolarHBondContact O-N 3.4Å; L152-S156 WeakPolarHBondContact O-CB 3.47Å; L152-S156 PolarHBondContact O-N 3.37Å; L152-S156 PolarHBondContact O-OG 2.92Å; L152-S156 VanDerWaalsContact O-OG 3.09Å
153	L	92.4	Very high	89.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-44.9	177.4	-70.1	170	0	0	0	111.7	V83 I87 L88 V94 N98 V101 I104 G149 E150 V151 S156 G157	V83-L153 HydrophobicContact CG1-CB 4.4Å; V83-L153 HydrophobicContact CG1-CD1 3.77Å; I87-L153 HydrophobicContact CG2-CB 4.28Å; I87-L153 WeakPolarHBondContact CG2-O 3.43Å; L88-L153 HydrophobicContact CD2-CD1 4.3Å; L88-L153 HydrophobicContact CD2-CD2 4.12Å; V94-L153 HydrophobicContact CG1-CD2 3.88Å; N98-L153 HydrophobicContact CB-CD2 4.34Å; V101-L153 HydrophobicContact CG2-CD2 4.05Å; I104-L153 HydrophobicContact CD1-CD1 3.35Å; I104-L153 HydrophobicContact CG1-CD1 3.83Å; I104-L153 HydrophobicContact CG2-CD1 3.94Å; G149-L153 WeakPolarHBondContact O-CG 3.41Å; G149-L153 PolarHBondContact O-N 3.3Å; E150-L153 PolarHBondContact O-N 2.75Å; V151-L153 PolarHBondContact O-N 3.27Å; L153-S156 PolarHBondContact O-N 3.03Å; L153-G157 PolarHBondContact O-N 3.23Å
154	I	90.7	Very high	88.8	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-45.1	178.3	-68.7	165.6	0	0	0	110.7	L82 V83 I87 E150 V151 G157 I158 F185 L189	L82-I154 HydrophobicContact CD2-CD1 4.07Å; L82-I154 HydrophobicContact CD2-CG1 4.34Å; V83-I154 HydrophobicContact CG2-CD1 4Å; V83-I154 HydrophobicContact CG2-CG1 4.16Å; I87-I154 HydrophobicContact CD1-CG1 4.49Å; I87-I154 HydrophobicContact CG1-CG1 4.07Å; E150-I154 WeakPolarHBondContact O-CB 3.37Å; E150-I154 WeakPolarHBondContact O-CD1 3.29Å; E150-I154 WeakPolarHBondContact O-CG1 3.38Å; E150-I154 PolarHBondContact O-N 3.1Å; V151-I154 PolarHBondContact O-N 3.41Å; I154-G157 PolarHBondContact O-N 3.13Å; I154-I158 HydrophobicContact CG2-CD1 3.79Å; I154-I158 HydrophobicContact CG2-CG1 4.35Å; I154-I158 VanDerWaalsContact O-CG1 3.26Å; I154-I158 WeakPolarHBondContact O-CG1 3.44Å; I154-I158 PolarHBondContact O-N 3.38Å; I154-F185 HydrophobicContact CG2-CB 4.3Å; I154-L189 HydrophobicContact CG2-CB 4.38Å; I154-L189 HydrophobicContact CG2-CD1 4.4Å
155	V	90.8	Very high	87.8	Confident	71 Å²	71	51.2 Å²	51.2	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-44.3	178.8	170.6	0	0	0	0	111.2	V151 L152 G157 I158 K159 L189	V151-V155 HydrophobicContact CG1-CG2 4.19Å; V151-V155 WeakPolarHBondContact O-CB 3.43Å; V151-V155 VanDerWaalsContact O-CG2 3.23Å; V151-V155 WeakPolarHBondContact O-CG2 3.47Å; V151-V155 PolarHBondContact O-N 3.08Å; L152-V155 PolarHBondContact O-N 3.4Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-G157 PolarHBondContact O-N 2.99Å; V155-I158 PolarHBondContact O-N 3.2Å; V155-K159 PolarHBondContact O-N 3.26Å; V155-L189 HydrophobicContact CG2-CD2 3.78Å
156	S	90.8	Very high	86.4	Confident	41 Å²	41	53 Å²	53	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-39.2	174.4	-67	0	0	0	0	112.3	N98 L152 L153 K159 R160	N98-S156 VanDerWaalsContact ND2-CB 3.26Å; N98-S156 WeakPolarHBondContact ND2-CB 3.08Å; N98-S156 PolarHBondContact ND2-OG 2.97Å; L152-S156 WeakPolarHBondContact O-CB 3.47Å; L152-S156 PolarHBondContact O-N 3.37Å; L152-S156 PolarHBondContact O-OG 2.92Å; L152-S156 VanDerWaalsContact O-OG 3.09Å; L153-S156 PolarHBondContact O-N 3.03Å; S156-K159 PolarHBondContact O-N 3.38Å; S156-R160 WeakPolarHBondContact O-CB 3.22Å; S156-R160 PolarHBondContact O-N 2.92Å
157	G	88.5	Confident	85	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-43.1	174.7	0	0	0	0	0	112.9	L153 I154 V155 K159 R160 L161	L153-G157 PolarHBondContact O-N 3.23Å; I154-G157 PolarHBondContact O-N 3.13Å; V155-G157 VanDerWaalsContact C-N 3.33Å; V155-G157 PolarHBondContact O-N 2.99Å; G157-K159 VanDerWaalsContact C-N 3.32Å; G157-K159 PolarHBondContact O-N 3.39Å; G157-R160 PolarHBondContact O-N 2.95Å; G157-L161 WeakPolarHBondContact O-CB 3.38Å; G157-L161 VanDerWaalsContact O-CG 3.23Å; G157-L161 WeakPolarHBondContact O-CG 3.26Å; G157-L161 PolarHBondContact O-N 3.37Å
158	I	86.4	Confident	83.6	Confident	27 Å²	27	58 Å²	58	14%	0.138	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-46.5	173.3	-71	165.2	0	0	0	110.3	I154 V155 R160 L161 R162 W182 F185 A186	I154-I158 HydrophobicContact CG2-CD1 3.79Å; I154-I158 HydrophobicContact CG2-CG1 4.35Å; I154-I158 VanDerWaalsContact O-CG1 3.26Å; I154-I158 WeakPolarHBondContact O-CG1 3.44Å; I154-I158 PolarHBondContact O-N 3.38Å; V155-I158 PolarHBondContact O-N 3.2Å; I158-R160 VanDerWaalsContact C-N 3.33Å; I158-R160 PolarHBondContact O-N 3.41Å; I158-L161 PolarHBondContact O-N 3.04Å; I158-R162 WeakPolarHBondContact O-CB 3.44Å; I158-R162 PolarHBondContact O-N 2.97Å; I158-W182 HydrophobicContact CG2-CB 4.39Å; I158-W182 HydrophobicContact CG2-CE3 4.23Å; I158-F185 HydrophobicContact CD1-CB 3.92Å; I158-F185 HydrophobicContact CG1-CB 3.58Å; I158-A186 HydrophobicContact CD1-CB 4.34Å
159	K	87.3	Confident	81.9	Confident	136 Å²	136	61 Å²	61	59%	0.591	29%	0.287	S	S	*	.	H	α-helix	trans	-58.7	-46.5	177.9	-174	-176.9	175.8	-170.8	0	110.9	V155 S156 G157 R162 E163	V155-K159 PolarHBondContact O-N 3.26Å; S156-K159 PolarHBondContact O-N 3.38Å; G157-K159 VanDerWaalsContact C-N 3.32Å; G157-K159 PolarHBondContact O-N 3.39Å; K159-R162 PolarHBondContact O-N 2.87Å; K159-E163 VanDerWaalsContact CE-OE1 3.25Å; K159-E163 WeakPolarHBondContact CE-OE1 3.31Å; K159-E163 WeakPolarHBondContact O-CG 3.48Å; K159-E163 PolarHBondContact O-N 3.39Å; K159-E163 VanDerWaalsContact O-N 3.13Å
160	R	84.9	Confident	80.3	Confident	86 Å²	86	65.5 Å²	65.5	33%	0.325	31%	0.311	S	S	.	.	H	α-helix	trans	-70	-40	-178.1	-173.1	61.1	-175.8	149.8	6.3	113.3	V91 V94 S156 G157 I158 R162 E163 T164	V91-R160 HydrophobicContact CG1-CB 3.83Å; V91-R160 HydrophobicContact CG1-CG 3.4Å; V91-R160 VanDerWaalsContact CG1-CG 3.4Å; V94-R160 HydrophobicContact CG2-CB 4.26Å; S156-R160 WeakPolarHBondContact O-CB 3.22Å; S156-R160 PolarHBondContact O-N 2.92Å; G157-R160 PolarHBondContact O-N 2.95Å; I158-R160 VanDerWaalsContact C-N 3.33Å; I158-R160 PolarHBondContact O-N 3.41Å; R160-R162 VanDerWaalsContact C-N 3.29Å; R160-R162 PolarHBondContact O-N 2.93Å; R160-E163 IonicContact NH1-OE2 2.9Å; R160-E163 PolarHBondContact NH1-OE2 2.66Å; R160-E163 PolarHBondContact O-N 2.53Å; R160-T164 PolarHBondContact NE-OG1 3.46Å; R160-T164 PolarHBondContact O-N 2.86Å; R160-T164 PolarHBondContact O-OG1 2.7Å
161	L	83.8	Confident	78.6	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-36.6	174.9	-73.6	167.6	0	0	0	111.4	V91 G157 I158 E165 Y167 W182 F185	V91-L161 HydrophobicContact CG2-CD1 4.29Å; V91-L161 HydrophobicContact CG2-CD2 3.71Å; V91-L161 HydrophobicContact CG2-CG 3.83Å; G157-L161 WeakPolarHBondContact O-CB 3.38Å; G157-L161 VanDerWaalsContact O-CG 3.23Å; G157-L161 WeakPolarHBondContact O-CG 3.26Å; G157-L161 PolarHBondContact O-N 3.37Å; I158-L161 PolarHBondContact O-N 3.04Å; L161-E165 WeakPolarHBondContact O-CA 3.28Å; L161-E165 PolarHBondContact O-N 2.88Å; L161-Y167 HydrophobicContact CD2-CD2 4.18Å; L161-W182 HydrophobicContact CB-CB 4.25Å; L161-F185 HydrophobicContact CD1-CD2 3.63Å; L161-F185 HydrophobicContact CD1-CE2 3.73Å
162	R	81.6	Confident	76.8	Confident	176 Å²	176	73.7 Å²	73.7	66%	0.664	36%	0.36	S	S	*	.	H	α-helix	trans	-66.7	-37.5	174.8	-174.2	179.5	-179.5	-172.5	0.7	112.5	I158 K159 R160	I158-R162 WeakPolarHBondContact O-CB 3.44Å; I158-R162 PolarHBondContact O-N 2.97Å; K159-R162 PolarHBondContact O-N 2.87Å; R160-R162 VanDerWaalsContact C-N 3.29Å; R160-R162 PolarHBondContact O-N 2.93Å
163	E	81.3	Confident	75.2	Confident	114 Å²	114	72.9 Å²	72.9	53%	0.533	36%	0.356	S	S	.	.	H	α-helix	trans	-75.2	-36.2	179.2	-72.7	169.5	-172.8	0	0	113.1	K159 R160	K159-E163 VanDerWaalsContact CE-OE1 3.25Å; K159-E163 WeakPolarHBondContact CE-OE1 3.31Å; K159-E163 WeakPolarHBondContact O-CG 3.48Å; K159-E163 PolarHBondContact O-N 3.39Å; K159-E163 VanDerWaalsContact O-N 3.13Å; R160-E163 IonicContact NH1-OE2 2.9Å; R160-E163 PolarHBondContact NH1-OE2 2.66Å; R160-E163 PolarHBondContact O-N 2.53Å
164	T	76	Confident	73.5	Confident	44 Å²	44	78.2 Å²	78.2	27%	0.27	40%	0.4	S	S	.	.	H	α-helix	trans	-94.8	-12.2	-172.6	-32.9	0	0	0	0	112.2	R160 Q166	R160-T164 PolarHBondContact NE-OG1 3.46Å; R160-T164 PolarHBondContact O-N 2.86Å; R160-T164 PolarHBondContact O-OG1 2.7Å; T164-Q166 HydrophobicContact CG2-CB 4.48Å; T164-Q166 HydrophobicContact CG2-CG 3.55Å; T164-Q166 PolarHBondContact O-N 3.43Å
165	E	70.2	Confident	72.1	Confident	134 Å²	134	84.7 Å²	84.7	63%	0.626	43%	0.434	S	S	*	.			trans	50.2	17.6	-171.7	-64.8	-177.3	153.4	0	0	113.9	L161 Y167 S168	L161-E165 WeakPolarHBondContact O-CA 3.28Å; L161-E165 PolarHBondContact O-N 2.88Å; E165-Y167 PolarHBondContact O-N 2.82Å; E165-S168 WeakPolarHBondContact O-CB 3.27Å; E165-S168 PolarHBondContact O-N 2.95Å
166	Q	63.6	Low	70.3	Confident	80 Å²	80	87.2 Å²	87.2	37%	0.374	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	135.6	-178	-80.1	177	-23.5	0	0	110.3	T164 S168	T164-Q166 HydrophobicContact CG2-CB 4.48Å; T164-Q166 HydrophobicContact CG2-CG 3.55Å; T164-Q166 PolarHBondContact O-N 3.43Å; Q166-S168 PolarHBondContact O-N 3.43Å
167	Y	63.4	Low	68.3	Low	106 Å²	106	89 Å²	89	42%	0.416	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	5.3	-178.1	-47.6	-77.4	0	0	0	115.4	M90 L161 E165 F169 Y181	M90-Y167 HydrophobicContact CB-CE2 4.21Å; L161-Y167 HydrophobicContact CD2-CD2 4.18Å; E165-Y167 PolarHBondContact O-N 2.82Å; Y167-F169 PolarHBondContact O-N 3.01Å; Y167-Y181 WeakPolarHBondContact O-CD2 3.46Å; Y167-Y181 WeakPolarHBondContact O-CE2 3.42Å
168	S	60.8	Low	66.8	Low	28 Å²	28	92.2 Å²	92.2	20%	0.196	48%	0.479	C	S	.	.			trans	-71.1	118.8	167.5	-66.3	0	0	0	0	109.3	E165 Q166 D170	E165-S168 WeakPolarHBondContact O-CB 3.27Å; E165-S168 PolarHBondContact O-N 2.95Å; Q166-S168 PolarHBondContact O-N 3.43Å; S168-D170 PolarHBondContact O-N 3.37Å
169	F	57.1	Low	65.4	Low	122 Å²	122	95.6 Å²	95.6	54%	0.535	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-85.9	99.4	165.9	-74.3	-85.2	0	0	0	107.6	Y167 S178 L179	Y167-F169 PolarHBondContact O-N 3.01Å; F169-S178 WeakPolarHBondContact O-CA 3.42Å; F169-L179 PolarHBondContact N-O 2.94Å; F169-L179 PolarHBondContact O-N 3.02Å
170	D	59	Low	64.2	Low	94 Å²	94	90.4 Å²	90.4	50%	0.503	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-79.8	154.1	173.7	-65	-39.4	0	0	0	111	S168	S168-D170 PolarHBondContact O-N 3.37Å
171	L	56.6	Low	63.5	Low	90 Å²	90	90 Å²	90	47%	0.471	48%	0.477	S	S	.	.	S	Bend	trans	-68.4	146.7	170.8	-73.4	123.5	0	0	0	110	N176	L171-N176 WeakPolarHBondContact CD2-OD1 3.47Å
172	P	54.5	Low	62.7	Low	129 Å²	129	94.4 Å²	94.4	84%	0.838	49%	0.493	S	S	*	.	P	Polyproline II helix	cis	-92.9	121.3	2.3	32.7	-29.3	0	0	0	112.9
173	N	59.5	Low	62.4	Low	45 Å²	45	92.7 Å²	92.7	24%	0.241	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-102.6	149.6	167.4	131.7	30.7	0	0	0	108	L175 N176 C177	N173-L175 PolarHBondContact O-N 2.82Å; N173-L175 WeakPolarHBondContact OD1-CB 3.37Å; N173-L175 PolarHBondContact OD1-N 3.46Å; N173-N176 PolarHBondContact O-N 3.33Å; N173-C177 PolarHBondContact ND2-O 3.29Å
174	A	57.4	Low	62.3	Low	113 Å²	113	89.1 Å²	89.1	93%	0.934	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-22.8	-179.6	0	0	0	0	0	115.3
175	L	59.7	Low	62.5	Low	138 Å²	138	87.6 Å²	87.6	72%	0.723	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	3.5	177.2	-61.9	170.8	0	0	0	113.9	N173 C177	N173-L175 PolarHBondContact O-N 2.82Å; N173-L175 WeakPolarHBondContact OD1-CB 3.37Å; N173-L175 PolarHBondContact OD1-N 3.46Å; L175-C177 PolarHBondContact O-N 3.5Å; L175-C177 PolarHBondContact O-SG 3.31Å
176	N	54.9	Low	63.1	Low	125 Å²	125	82.5 Å²	82.5	67%	0.668	45%	0.451	S	S	*	.			trans	50.4	31.6	179.9	-154.5	34.4	0	0	0	114.5	L171 N173	L171-N176 WeakPolarHBondContact CD2-OD1 3.47Å; N173-N176 PolarHBondContact O-N 3.33Å
177	C	48.5	Very low	63.9	Low	77 Å²	77	80.7 Å²	80.7	52%	0.52	45%	0.45	S	S	.	.			trans	-120	120.3	-179.3	-72.2	0	0	0	0	109.1	N173 L175	N173-C177 PolarHBondContact ND2-O 3.29Å; L175-C177 PolarHBondContact O-N 3.5Å; L175-C177 PolarHBondContact O-SG 3.31Å
178	S	55.4	Low	64.9	Low	68 Å²	68	78.6 Å²	78.6	48%	0.476	45%	0.445	S	S	.	.			trans	-84.2	113.2	165.8	56.3	0	0	0	0	109.5	F169	F169-S178 WeakPolarHBondContact O-CA 3.42Å
179	L	58.6	Low	66.1	Low	98 Å²	98	78.6 Å²	78.6	51%	0.513	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-112	95.1	173.6	-159.4	157.8	0	0	0	107.9	F169 Y181	F169-L179 PolarHBondContact N-O 2.94Å; F169-L179 PolarHBondContact O-N 3.02Å; L179-Y181 HydrophobicContact CD2-CD2 4.13Å; L179-Y181 HydrophobicContact CD2-CE2 4.4Å
180	S	62.5	Low	67.3	Low	28 Å²	28	78.6 Å²	78.6	20%	0.196	45%	0.448	C	S	.	.			trans	-83.4	118.3	173.6	-39.5	0	0	0	0	108.6	W182 F183 A184	S180-W182 VanDerWaalsContact CB-NE1 3.31Å; S180-W182 PolarHBondContact O-N 3.43Å; S180-W182 VanDerWaalsContact O-N 3.14Å; S180-F183 WeakPolarHBondContact O-CB 3.24Å; S180-F183 PolarHBondContact O-N 3.3Å; S180-A184 PolarHBondContact O-N 3.12Å
181	Y	69.1	Low	68.4	Low	78 Å²	78	78.6 Å²	78.6	31%	0.306	45%	0.451	S	S	.	.	H	α-helix	trans	-55.9	-34.4	-176.8	-96.2	-118.2	0	0	0	112.6	Y167 L179 F183 A184 F185	Y167-Y181 WeakPolarHBondContact O-CD2 3.46Å; Y167-Y181 WeakPolarHBondContact O-CE2 3.42Å; L179-Y181 HydrophobicContact CD2-CD2 4.13Å; L179-Y181 HydrophobicContact CD2-CE2 4.4Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 3.2Å; Y181-A184 WeakPolarHBondContact O-CB 3.1Å; Y181-A184 PolarHBondContact O-N 3.14Å; Y181-F185 HydrophobicContact CD1-CE2 4.21Å; Y181-F185 WeakPolarHBondContact O-CD2 3.32Å; Y181-F185 PolarHBondContact O-N 3.4Å; Y181-F185 VanDerWaalsContact O-N 3.15Å
182	W	67.7	Low	69.6	Low	95 Å²	95	75.9 Å²	75.9	36%	0.36	44%	0.435	S	S	.	.	H	α-helix	trans	-60.5	-35.8	176.2	80.3	-83.9	0	0	0	112.8	I158 L161 S180 F185 A186	I158-W182 HydrophobicContact CG2-CB 4.39Å; I158-W182 HydrophobicContact CG2-CE3 4.23Å; L161-W182 HydrophobicContact CB-CB 4.25Å; S180-W182 VanDerWaalsContact CB-NE1 3.31Å; S180-W182 PolarHBondContact O-N 3.43Å; S180-W182 VanDerWaalsContact O-N 3.14Å; W182-F185 PolarHBondContact O-N 2.89Å; W182-A186 WeakPolarHBondContact O-CB 3.19Å; W182-A186 PolarHBondContact O-N 3.37Å
183	F	73.7	Confident	70.9	Confident	140 Å²	140	74.5 Å²	74.5	61%	0.614	42%	0.419	S	S	*	.	H	α-helix	trans	-68.4	-39	177.6	-173.6	-95.2	0	0	0	111.4	S180 Y181 A186 A187	S180-F183 WeakPolarHBondContact O-CB 3.24Å; S180-F183 PolarHBondContact O-N 3.3Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 3.2Å; F183-A186 PolarHBondContact O-N 2.97Å; F183-A187 WeakPolarHBondContact O-CB 3.46Å; F183-A187 PolarHBondContact O-N 2.82Å
184	A	79.4	Confident	72.2	Confident	39 Å²	39	75.8 Å²	75.8	32%	0.322	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-47.3	175.5	0	0	0	0	0	111.3	S180 Y181 A186 A187 I188	S180-A184 PolarHBondContact O-N 3.12Å; Y181-A184 WeakPolarHBondContact O-CB 3.1Å; Y181-A184 PolarHBondContact O-N 3.14Å; A184-A186 VanDerWaalsContact C-N 3.34Å; A184-A186 PolarHBondContact O-N 3.43Å; A184-A187 PolarHBondContact O-N 3.49Å; A184-I188 WeakPolarHBondContact O-CB 3.42Å; A184-I188 WeakPolarHBondContact O-CD1 3.14Å; A184-I188 WeakPolarHBondContact O-CG1 3.26Å; A184-I188 PolarHBondContact O-N 3.47Å
185	F	81.3	Confident	73.4	Confident	13 Å²	13	71.5 Å²	71.5	6%	0.057	40%	0.397	C	S	.	.	H	α-helix	trans	-64.3	-37.3	176.1	-75.1	-69.3	0	0	0	112.8	L82 G86 I87 I154 I158 L161 Y181 W182 I188 L189	L82-F185 HydrophobicContact CD1-CE1 4.3Å; L82-F185 HydrophobicContact CD2-CD1 3.93Å; L82-F185 HydrophobicContact CD2-CE1 3.71Å; L82-F185 HydrophobicContact CG-CD1 4.44Å; L82-F185 HydrophobicContact CG-CE1 3.88Å; G86-F185 VanDerWaalsContact O-CZ 3.24Å; G86-F185 WeakPolarHBondContact O-CZ 3.35Å; I87-F185 HydrophobicContact CD1-CD1 3.62Å; I87-F185 HydrophobicContact CD1-CD2 4.26Å; I87-F185 HydrophobicContact CD1-CE1 3.41Å; I87-F185 VanDerWaalsContact CD1-CE1 3.41Å; I87-F185 HydrophobicContact CD1-CE2 4.09Å; I87-F185 HydrophobicContact CD1-CG 4.06Å; I87-F185 HydrophobicContact CD1-CZ 3.69Å; I87-F185 HydrophobicContact CG1-CD1 4.37Å; I87-F185 HydrophobicContact CG1-CE1 3.93Å; I87-F185 HydrophobicContact CG1-CZ 4.42Å; I154-F185 HydrophobicContact CG2-CB 4.3Å; I158-F185 HydrophobicContact CD1-CB 3.92Å; I158-F185 HydrophobicContact CG1-CB 3.58Å; L161-F185 HydrophobicContact CD1-CD2 3.63Å; L161-F185 HydrophobicContact CD1-CE2 3.73Å; Y181-F185 HydrophobicContact CD1-CE2 4.21Å; Y181-F185 WeakPolarHBondContact O-CD2 3.32Å; Y181-F185 PolarHBondContact O-N 3.4Å; Y181-F185 VanDerWaalsContact O-N 3.15Å; W182-F185 PolarHBondContact O-N 2.89Å; F185-I188 PolarHBondContact O-N 3Å; F185-L189 WeakPolarHBondContact O-CB 3.2Å; F185-L189 PolarHBondContact O-N 3.09Å
186	A	81.5	Confident	74.5	Confident	26 Å²	26	65.8 Å²	65.8	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-63.6	-45.1	175	0	0	0	0	0	112	I158 W182 F183 A184 I188 L189 I190	I158-A186 HydrophobicContact CD1-CB 4.34Å; W182-A186 WeakPolarHBondContact O-CB 3.19Å; W182-A186 PolarHBondContact O-N 3.37Å; F183-A186 PolarHBondContact O-N 2.97Å; A184-A186 VanDerWaalsContact C-N 3.34Å; A184-A186 PolarHBondContact O-N 3.43Å; A186-I188 VanDerWaalsContact C-N 3.3Å; A186-I188 PolarHBondContact O-N 3.25Å; A186-L189 PolarHBondContact O-N 2.95Å; A186-I190 WeakPolarHBondContact O-CG1 2.96Å; A186-I190 PolarHBondContact O-N 3.48Å
187	A	82.1	Confident	76.1	Confident	43 Å²	43	67.2 Å²	67.2	36%	0.355	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-39.4	175.6	0	0	0	0	0	112.1	F183 A184 I190 T191	F183-A187 WeakPolarHBondContact O-CB 3.46Å; F183-A187 PolarHBondContact O-N 2.82Å; A184-A187 PolarHBondContact O-N 3.49Å; A187-I190 PolarHBondContact O-N 2.82Å; A187-T191 PolarHBondContact O-N 2.82Å; A187-T191 VanDerWaalsContact O-N 3.14Å; A187-T191 PolarHBondContact O-OG1 3.32Å; A187-T191 VanDerWaalsContact O-OG1 3.09Å
188	I	83.7	Confident	77.9	Confident	61 Å²	61	68.2 Å²	68.2	31%	0.313	37%	0.373	S	S	.	.	H	α-helix	trans	-66.5	-41.4	176.5	-69.5	166.6	0	0	0	110.5	L82 A184 F185 A186 I190 T191 Y192	L82-I188 HydrophobicContact CD1-CB 4.47Å; L82-I188 HydrophobicContact CD1-CD1 3.35Å; L82-I188 HydrophobicContact CD1-CG1 4.32Å; L82-I188 HydrophobicContact CD1-CG2 3.79Å; L82-I188 HydrophobicContact CD2-CG2 4.3Å; A184-I188 WeakPolarHBondContact O-CB 3.42Å; A184-I188 WeakPolarHBondContact O-CD1 3.14Å; A184-I188 WeakPolarHBondContact O-CG1 3.26Å; A184-I188 PolarHBondContact O-N 3.47Å; F185-I188 PolarHBondContact O-N 3Å; A186-I188 VanDerWaalsContact C-N 3.3Å; A186-I188 PolarHBondContact O-N 3.25Å; I188-I190 VanDerWaalsContact C-N 3.33Å; I188-I190 PolarHBondContact O-N 3.43Å; I188-T191 WeakPolarHBondContact CA-OG1 3.38Å; I188-T191 PolarHBondContact O-N 3.45Å; I188-T191 PolarHBondContact O-OG1 3.26Å; I188-Y192 WeakPolarHBondContact O-CB 3.23Å; I188-Y192 PolarHBondContact O-N 3.41Å
189	L	84.9	Confident	79.3	Confident	28 Å²	28	66.3 Å²	66.3	15%	0.147	36%	0.357	C	S	.	.	H	α-helix	trans	-61.7	-41.4	176.7	-172.5	63.9	0	0	0	112	V151 I154 V155 F185 A186 T191 Y192 I193	V151-L189 HydrophobicContact CB-CD1 4.33Å; V151-L189 HydrophobicContact CG1-CD1 4.09Å; V151-L189 HydrophobicContact CG2-CD1 3.88Å; I154-L189 HydrophobicContact CG2-CB 4.38Å; I154-L189 HydrophobicContact CG2-CD1 4.4Å; V155-L189 HydrophobicContact CG2-CD2 3.78Å; F185-L189 WeakPolarHBondContact O-CB 3.2Å; F185-L189 PolarHBondContact O-N 3.09Å; A186-L189 PolarHBondContact O-N 2.95Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-T191 PolarHBondContact O-N 3.45Å; L189-Y192 PolarHBondContact O-N 2.87Å; L189-I193 WeakPolarHBondContact O-CG1 3.4Å; L189-I193 PolarHBondContact O-N 3.35Å
190	I	84.2	Confident	80.6	Confident	123 Å²	123	65.2 Å²	65.2	63%	0.631	35%	0.346	S	S	*	.	H	α-helix	trans	-62.4	-40.8	177.4	-68.3	166.3	0	0	0	111.4	A186 A187 I188 P194	A186-I190 WeakPolarHBondContact O-CG1 2.96Å; A186-I190 PolarHBondContact O-N 3.48Å; A187-I190 PolarHBondContact O-N 2.82Å; I188-I190 VanDerWaalsContact C-N 3.33Å; I188-I190 PolarHBondContact O-N 3.43Å; I190-P194 WeakPolarHBondContact O-CD 3.33Å; I190-P194 WeakPolarHBondContact O-CG 3.23Å
191	T	80.3	Confident	81.8	Confident	93 Å²	93	66.6 Å²	66.6	57%	0.571	35%	0.353	S	S	*	.	H	α-helix	trans	-78.6	-28.4	178.6	51.5	0	0	0	0	112.8	A187 I188 L189 P194 G195	A187-T191 PolarHBondContact O-N 2.82Å; A187-T191 VanDerWaalsContact O-N 3.14Å; A187-T191 PolarHBondContact O-OG1 3.32Å; A187-T191 VanDerWaalsContact O-OG1 3.09Å; I188-T191 WeakPolarHBondContact CA-OG1 3.38Å; I188-T191 PolarHBondContact O-N 3.45Å; I188-T191 PolarHBondContact O-OG1 3.26Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-T191 PolarHBondContact O-N 3.45Å; T191-P194 VanDerWaalsContact O-CD 3.3Å; T191-P194 WeakPolarHBondContact O-CD 3.26Å; T191-P194 WeakPolarHBondContact O-CG 3.48Å; T191-G195 PolarHBondContact O-N 2.9Å
192	Y	83.7	Confident	82.7	Confident	33 Å²	33	67.1 Å²	67.1	13%	0.129	36%	0.359	C	S	.	.	H	α-helix	trans	-67.9	-42.2	-179.2	-178.3	-102.9	0	0	0	112.7	I147 E150 V151 I188 L189 G195 S196	I147-Y192 HydrophobicContact CG1-CE1 4.25Å; I147-Y192 WeakPolarHBondContact CG1-OH 3.39Å; I147-Y192 HydrophobicContact CG2-CE1 4.05Å; E150-Y192 VanDerWaalsContact CD-OH 3.22Å; E150-Y192 PolarHBondContact OE2-OH 3.46Å; V151-Y192 HydrophobicContact CG2-CD1 4.34Å; V151-Y192 HydrophobicContact CG2-CE1 4.21Å; I188-Y192 WeakPolarHBondContact O-CB 3.23Å; I188-Y192 PolarHBondContact O-N 3.41Å; L189-Y192 PolarHBondContact O-N 2.87Å; Y192-G195 PolarHBondContact O-N 3.28Å; Y192-S196 VanDerWaalsContact O-CB 3.31Å; Y192-S196 WeakPolarHBondContact O-CB 3.44Å; Y192-S196 PolarHBondContact O-N 3.14Å
193	I	81.8	Confident	83.5	Confident	100 Å²	100	63.9 Å²	63.9	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-56	-54.5	179.3	-64.4	166.9	0	0	0	112.7	L189 G195 S196 K197	L189-I193 WeakPolarHBondContact O-CG1 3.4Å; L189-I193 PolarHBondContact O-N 3.35Å; I193-G195 PolarHBondContact O-N 3.22Å; I193-S196 PolarHBondContact O-N 3.34Å; I193-S196 PolarHBondContact O-OG 3.34Å; I193-K197 PolarHBondContact O-N 2.91Å
194	P	84.9	Confident	84.2	Confident	72 Å²	72	59.9 Å²	59.9	47%	0.468	33%	0.332	S	S	.	.	H	α-helix	trans	-67.9	-35.2	178.3	25.6	-33.1	0	0	0	112.8	I190 T191 S196 K197 T198	I190-P194 WeakPolarHBondContact O-CD 3.33Å; I190-P194 WeakPolarHBondContact O-CG 3.23Å; T191-P194 VanDerWaalsContact O-CD 3.3Å; T191-P194 WeakPolarHBondContact O-CD 3.26Å; T191-P194 WeakPolarHBondContact O-CG 3.48Å; P194-S196 VanDerWaalsContact C-N 3.31Å; P194-S196 PolarHBondContact O-N 3.21Å; P194-K197 PolarHBondContact O-N 3.45Å; P194-T198 PolarHBondContact O-N 2.97Å; P194-T198 VanDerWaalsContact O-N 3.14Å; P194-T198 PolarHBondContact O-OG1 3.36Å
195	G	84	Confident	84.6	Confident	24 Å²	24	66 Å²	66	25%	0.247	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-45.5	173.5	0	0	0	0	0	111.5	T191 Y192 I193 K197 T198 M199	T191-G195 PolarHBondContact O-N 2.9Å; Y192-G195 PolarHBondContact O-N 3.28Å; I193-G195 PolarHBondContact O-N 3.22Å; G195-K197 PolarHBondContact O-N 3.31Å; G195-T198 WeakPolarHBondContact O-CB 2.96Å; G195-T198 PolarHBondContact O-N 2.88Å; G195-M199 WeakPolarHBondContact O-CG 3.49Å; G195-M199 PolarHBondContact O-N 3.48Å
196	S	82.9	Confident	84.8	Confident	17 Å²	17	69.2 Å²	69.2	12%	0.119	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-41.1	-178.5	79.4	0	0	0	0	112.8	Y143 Y192 I193 P194 M199 Y200	Y143-S196 WeakPolarHBondContact CE1-O 3.43Å; Y143-S196 VanDerWaalsContact OH-CA 3.28Å; Y143-S196 WeakPolarHBondContact OH-CA 3.32Å; Y143-S196 PolarHBondContact OH-O 2.79Å; Y192-S196 VanDerWaalsContact O-CB 3.31Å; Y192-S196 WeakPolarHBondContact O-CB 3.44Å; Y192-S196 PolarHBondContact O-N 3.14Å; I193-S196 PolarHBondContact O-N 3.34Å; I193-S196 PolarHBondContact O-OG 3.34Å; P194-S196 VanDerWaalsContact C-N 3.31Å; P194-S196 PolarHBondContact O-N 3.21Å; S196-M199 PolarHBondContact O-N 3.15Å; S196-Y200 PolarHBondContact O-N 3.26Å
197	K	86.8	Confident	85	Confident	155 Å²	155	71.2 Å²	71.2	67%	0.674	36%	0.364	S	S	*	.	H	α-helix	trans	-65	-41.1	175.9	-177.3	-179.5	178.4	-179	0	112	I193 P194 G195 M199 Y200 T201	I193-K197 PolarHBondContact O-N 2.91Å; P194-K197 PolarHBondContact O-N 3.45Å; G195-K197 PolarHBondContact O-N 3.31Å; K197-M199 VanDerWaalsContact C-N 3.34Å; K197-Y200 PolarHBondContact O-N 3.14Å; K197-T201 WeakPolarHBondContact O-CB 3.2Å; K197-T201 PolarHBondContact O-N 3.41Å; K197-T201 PolarHBondContact O-OG1 3.25Å
198	T	86.9	Confident	85.1	Confident	98 Å²	98	75.7 Å²	75.7	60%	0.601	38%	0.375	S	S	*	.	H	α-helix	trans	-62.2	-45.6	178.3	-57.8	0	0	0	0	110.6	P194 G195 T201 H202	P194-T198 PolarHBondContact O-N 2.97Å; P194-T198 VanDerWaalsContact O-N 3.14Å; P194-T198 PolarHBondContact O-OG1 3.36Å; G195-T198 WeakPolarHBondContact O-CB 2.96Å; G195-T198 PolarHBondContact O-N 2.88Å; T198-T201 PolarHBondContact O-N 3.41Å; T198-H202 PolarHBondContact O-N 2.8Å
199	M	85.1	Confident	85.2	Confident	28 Å²	28	79.8 Å²	79.8	14%	0.138	39%	0.39	C	S	.	.	H	α-helix	trans	-66.2	-41.5	177.8	-70.9	-172.3	73.6	0	0	113	L75 Q76 Y143 G195 S196 K197 T201 H202 M203	L75-M199 HydrophobicContact CD2-SD 3.92Å; L75-M199 HydrophobicContact CG-SD 4.41Å; Q76-M199 HydrophobicContact CG-CE 3.19Å; Q76-M199 HydrophobicContact CG-SD 4.37Å; Y143-M199 VanDerWaalsContact OH-CB 3.27Å; Y143-M199 WeakPolarHBondContact OH-CB 3.41Å; G195-M199 WeakPolarHBondContact O-CG 3.49Å; G195-M199 PolarHBondContact O-N 3.48Å; S196-M199 PolarHBondContact O-N 3.15Å; K197-M199 VanDerWaalsContact C-N 3.34Å; M199-T201 VanDerWaalsContact C-N 3.33Å; M199-T201 PolarHBondContact O-N 2.97Å; M199-H202 WeakPolarHBondContact O-CB 3.3Å; M199-H202 PolarHBondContact O-N 2.96Å; M199-M203 WeakPolarHBondContact O-CG 3.45Å; M199-M203 PolarHBondContact O-N 3.09Å
200	Y	86	Confident	85	Confident	75 Å²	75	80.1 Å²	80.1	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-46.5	174.1	-173.1	-99	0	0	0	111.7	F139 Y143 S196 K197 H202 M203 M204	F139-Y200 HydrophobicContact CD2-CD2 4.06Å; F139-Y200 AromaticContact CD2-CE2 3.79Å; F139-Y200 HydrophobicContact CD2-CE2 3.79Å; F139-Y200 HydrophobicContact CE2-CD2 4.08Å; F139-Y200 AromaticContact CE2-CE2 3.7Å; F139-Y200 HydrophobicContact CE2-CE2 3.7Å; Y143-Y200 AromaticContact CD1-CD2 3.6Å; Y143-Y200 HydrophobicContact CD1-CD2 3.6Å; Y143-Y200 HydrophobicContact CD1-CE2 4.49Å; Y143-Y200 HydrophobicContact CD1-CG 4.37Å; Y143-Y200 HydrophobicContact CE1-CD2 4.07Å; Y143-Y200 HydrophobicContact CE1-CG 4.42Å; Y143-Y200 HydrophobicContact CG-CD2 4.44Å; S196-Y200 PolarHBondContact O-N 3.26Å; K197-Y200 PolarHBondContact O-N 3.14Å; Y200-H202 VanDerWaalsContact C-N 3.29Å; Y200-H202 PolarHBondContact O-N 3.43Å; Y200-M203 HydrophobicContact CD2-CE 4.43Å; Y200-M203 PolarHBondContact O-N 3.23Å; Y200-M204 HydrophobicContact CD1-CG 4.07Å; Y200-M204 HydrophobicContact CE1-CG 3.75Å; Y200-M204 HydrophobicContact CE1-SD 4.27Å; Y200-M204 WeakPolarHBondContact O-CG 3.35Å; Y200-M204 PolarHBondContact O-N 3.45Å
201	T	88.2	Confident	84.7	Confident	57 Å²	57	76.1 Å²	76.1	35%	0.35	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-39.8	178.2	-54.9	0	0	0	0	111.3	K197 T198 M199 M204 R205	K197-T201 WeakPolarHBondContact O-CB 3.2Å; K197-T201 PolarHBondContact O-N 3.41Å; K197-T201 PolarHBondContact O-OG1 3.25Å; T198-T201 PolarHBondContact O-N 3.41Å; M199-T201 VanDerWaalsContact C-N 3.33Å; M199-T201 PolarHBondContact O-N 2.97Å; T201-M204 PolarHBondContact O-N 3.32Å; T201-R205 WeakPolarHBondContact O-CG 3.49Å; T201-R205 PolarHBondContact O-N 3.06Å; T201-R205 VanDerWaalsContact O-N 3.09Å
202	H	86.7	Confident	84.6	Confident	89 Å²	89	78.2 Å²	78.2	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-45.8	174.7	179.5	-97.8	0	0	0	112.1	T198 M199 Y200 M204 R205 Q206	T198-H202 PolarHBondContact O-N 2.8Å; M199-H202 WeakPolarHBondContact O-CB 3.3Å; M199-H202 PolarHBondContact O-N 2.96Å; Y200-H202 VanDerWaalsContact C-N 3.29Å; Y200-H202 PolarHBondContact O-N 3.43Å; H202-M204 VanDerWaalsContact C-N 3.34Å; H202-M204 PolarHBondContact O-N 2.83Å; H202-R205 WeakPolarHBondContact O-CB 3.44Å; H202-R205 PolarHBondContact O-N 3.39Å; H202-Q206 VanDerWaalsContact CE1-CD 3.41Å; H202-Q206 PolarHBondContact CE1-NE2 2.98Å; H202-Q206 WeakPolarHBondContact O-CG 3.22Å; H202-Q206 PolarHBondContact O-N 2.77Å
203	M	85.6	Confident	84	Confident	28 Å²	28	83.2 Å²	83.2	14%	0.138	41%	0.406	C	S	.	.	H	α-helix	trans	-63.3	-38.3	176.8	-68.9	-173.3	-67.4	0	0	112.4	F139 Y143 M199 Y200 R205 Q206 R207	F139-M203 HydrophobicContact CB-CE 4.31Å; F139-M203 HydrophobicContact CB-SD 4.07Å; F139-M203 HydrophobicContact CD1-CB 4.26Å; F139-M203 HydrophobicContact CD2-CB 4.02Å; F139-M203 HydrophobicContact CD2-CE 3.92Å; F139-M203 HydrophobicContact CD2-SD 4.28Å; F139-M203 HydrophobicContact CE1-CB 4.03Å; F139-M203 HydrophobicContact CE2-CB 3.85Å; F139-M203 HydrophobicContact CG-CB 4.25Å; F139-M203 HydrophobicContact CG-CE 4.29Å; F139-M203 HydrophobicContact CG-SD 4.11Å; F139-M203 HydrophobicContact CZ-CB 3.85Å; Y143-M203 HydrophobicContact CD1-CE 4.01Å; Y143-M203 HydrophobicContact CD2-CE 3.61Å; Y143-M203 HydrophobicContact CE1-CE 4.08Å; Y143-M203 HydrophobicContact CE2-CE 3.71Å; Y143-M203 HydrophobicContact CG-CE 3.75Å; M199-M203 WeakPolarHBondContact O-CG 3.45Å; M199-M203 PolarHBondContact O-N 3.09Å; Y200-M203 HydrophobicContact CD2-CE 4.43Å; Y200-M203 PolarHBondContact O-N 3.23Å; M203-R205 VanDerWaalsContact C-N 3.33Å; M203-R205 PolarHBondContact O-N 3.31Å; M203-Q206 PolarHBondContact O-N 2.84Å; M203-R207 WeakPolarHBondContact O-CB 3.34Å; M203-R207 PolarHBondContact O-N 3.06Å
204	M	87.8	Confident	83	Confident	55 Å²	55	82 Å²	82	27%	0.271	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-39.8	173.6	-71.7	-64.7	-72.2	0	0	112.4	F139 M140 Y200 T201 H202 K208	F139-M204 HydrophobicContact CE2-CG 3.99Å; F139-M204 HydrophobicContact CE2-SD 3.65Å; F139-M204 HydrophobicContact CZ-CG 4.03Å; F139-M204 HydrophobicContact CZ-SD 3.46Å; F139-M204 WeakPolarHBondContact CZ-SD 3.49Å; M140-M204 HydrophobicContact CG-SD 4.49Å; Y200-M204 HydrophobicContact CD1-CG 4.07Å; Y200-M204 HydrophobicContact CE1-CG 3.75Å; Y200-M204 HydrophobicContact CE1-SD 4.27Å; Y200-M204 WeakPolarHBondContact O-CG 3.35Å; Y200-M204 PolarHBondContact O-N 3.45Å; T201-M204 PolarHBondContact O-N 3.32Å; H202-M204 VanDerWaalsContact C-N 3.34Å; H202-M204 PolarHBondContact O-N 2.83Å; M204-K208 PolarHBondContact O-N 3.3Å
205	R	87.3	Confident	81.4	Confident	168 Å²	168	88.2 Å²	88.2	63%	0.634	44%	0.435	S	S	*	.	H	α-helix	trans	-66	-41	173.9	-69	174.5	-178.2	173.5	0.3	111.5	T201 H202 M203 K208 K209	T201-R205 WeakPolarHBondContact O-CG 3.49Å; T201-R205 PolarHBondContact O-N 3.06Å; T201-R205 VanDerWaalsContact O-N 3.09Å; H202-R205 WeakPolarHBondContact O-CB 3.44Å; H202-R205 PolarHBondContact O-N 3.39Å; M203-R205 VanDerWaalsContact C-N 3.33Å; M203-R205 PolarHBondContact O-N 3.31Å; R205-K208 PolarHBondContact O-N 3.4Å; R205-K209 WeakPolarHBondContact O-CG 3.38Å; R205-K209 PolarHBondContact O-N 3.23Å
206	Q	85.9	Confident	81.2	Confident	80 Å²	80	91.5 Å²	91.5	37%	0.374	44%	0.444	S	S	.	.	H	α-helix	trans	-63.8	-42.3	176.4	-72	-174.4	-30.2	0	0	112.2	Y136 H202 M203 K208 K209 V210	Y136-Q206 HydrophobicContact CE1-CB 4.39Å; H202-Q206 VanDerWaalsContact CE1-CD 3.41Å; H202-Q206 PolarHBondContact CE1-NE2 2.98Å; H202-Q206 WeakPolarHBondContact O-CG 3.22Å; H202-Q206 PolarHBondContact O-N 2.77Å; M203-Q206 PolarHBondContact O-N 2.84Å; Q206-K208 PolarHBondContact O-N 3.45Å; Q206-K209 PolarHBondContact O-N 2.99Å; Q206-V210 WeakPolarHBondContact O-CG2 3.41Å; Q206-V210 PolarHBondContact O-N 2.99Å
207	R	85.4	Confident	81.2	Confident	69 Å²	69	95.4 Å²	95.4	26%	0.26	46%	0.461	S	S	.	.	H	α-helix	trans	-54.8	-50.3	174.6	178.1	-177.8	-179.8	-109.9	-6.2	111.6	Y136 F139 M203 K209 V210 L211	Y136-R207 WeakPolarHBondContact O-CD 3.47Å; Y136-R207 VanDerWaalsContact O-CG 3.23Å; Y136-R207 WeakPolarHBondContact O-CG 3.43Å; F139-R207 HydrophobicContact CE1-CB 4.18Å; F139-R207 HydrophobicContact CZ-CB 4.44Å; M203-R207 WeakPolarHBondContact O-CB 3.34Å; M203-R207 PolarHBondContact O-N 3.06Å; R207-K209 VanDerWaalsContact C-N 3.32Å; R207-K209 PolarHBondContact O-N 3.39Å; R207-V210 PolarHBondContact O-N 3.37Å; R207-L211 HydrophobicContact CG-CD1 3.55Å; R207-L211 HydrophobicContact CG-CG 4.16Å; R207-L211 WeakPolarHBondContact O-CB 3.4Å; R207-L211 WeakPolarHBondContact O-CG 3.41Å; R207-L211 PolarHBondContact O-N 3.25Å
208	K	85.5	Confident	80.8	Confident	136 Å²	136	92.1 Å²	92.1	59%	0.591	45%	0.449	S	S	*	.	H	α-helix	trans	-56.1	-47.2	178.4	-72.2	-175.5	178.6	-172	0	111.3	M204 R205 Q206 V210 Q212	M204-K208 PolarHBondContact O-N 3.3Å; R205-K208 PolarHBondContact O-N 3.4Å; Q206-K208 PolarHBondContact O-N 3.45Å; K208-V210 PolarHBondContact O-N 2.78Å; K208-Q212 VanDerWaalsContact O-CB 3.27Å; K208-Q212 WeakPolarHBondContact O-CB 2.97Å; K208-Q212 WeakPolarHBondContact O-CG 3.25Å; K208-Q212 PolarHBondContact O-N 3.46Å; K208-Q212 VanDerWaalsContact O-N 3.11Å; K208-Q212 PolarHBondContact O-OE1 3.38Å
209	K	84.9	Confident	80.5	Confident	147 Å²	147	91.7 Å²	91.7	64%	0.639	44%	0.44	S	S	*	.	H	α-helix	trans	-62.9	-41.3	-179.8	-69.9	-178.4	177.8	-172.6	0	113.5	R205 Q206 R207 N213	R205-K209 WeakPolarHBondContact O-CG 3.38Å; R205-K209 PolarHBondContact O-N 3.23Å; Q206-K209 PolarHBondContact O-N 2.99Å; R207-K209 VanDerWaalsContact C-N 3.32Å; R207-K209 PolarHBondContact O-N 3.39Å; K209-N213 PolarHBondContact O-ND2 2.98Å
210	V	81	Confident	80.2	Confident	36 Å²	36	95.7 Å²	95.7	22%	0.218	46%	0.459	C	S	.	.	H	α-helix	trans	-80.6	-41.2	-175.1	177.3	0	0	0	0	111.9	T132 Y136 Q206 R207 K208 N213 C214	T132-V210 HydrophobicContact CG2-CG1 4.12Å; Y136-V210 HydrophobicContact CD1-CB 4.49Å; Y136-V210 HydrophobicContact CD1-CG2 4.43Å; Y136-V210 HydrophobicContact CD2-CB 4.23Å; Y136-V210 HydrophobicContact CD2-CG1 3.81Å; Y136-V210 HydrophobicContact CE1-CB 4.38Å; Y136-V210 HydrophobicContact CE1-CG2 3.88Å; Y136-V210 HydrophobicContact CE2-CB 4.15Å; Y136-V210 HydrophobicContact CE2-CG1 3.65Å; Y136-V210 HydrophobicContact CE2-CG2 4.11Å; Y136-V210 HydrophobicContact CG-CB 4.43Å; Y136-V210 HydrophobicContact CG-CG1 4.46Å; Q206-V210 WeakPolarHBondContact O-CG2 3.41Å; Q206-V210 PolarHBondContact O-N 2.99Å; R207-V210 PolarHBondContact O-N 3.37Å; K208-V210 PolarHBondContact O-N 2.78Å; V210-N213 PolarHBondContact O-N 2.97Å; V210-C214 PolarHBondContact O-N 3.48Å; V210-C214 PolarHBondContact O-SG 2.95Å
211	L	78.6	Confident	79.8	Confident	39 Å²	39	97.1 Å²	97.1	20%	0.204	47%	0.47	C	S	.	.	H	α-helix	trans	-71.7	-29.9	179.8	-65	-177.6	0	0	0	112.5	R207 N213 C214	R207-L211 HydrophobicContact CG-CD1 3.55Å; R207-L211 HydrophobicContact CG-CG 4.16Å; R207-L211 WeakPolarHBondContact O-CB 3.4Å; R207-L211 WeakPolarHBondContact O-CG 3.41Å; R207-L211 PolarHBondContact O-N 3.25Å; L211-N213 PolarHBondContact O-N 3.13Å; L211-C214 PolarHBondContact O-N 3.01Å; L211-C214 VanDerWaalsContact O-N 3.15Å
212	Q	77	Confident	79.2	Confident	137 Å²	137	99.9 Å²	99.9	64%	0.64	48%	0.479	S	S	*	.	H	α-helix	trans	-61.7	-28.3	170.7	-79.4	173.2	-20.9	0	0	112.9	K208	K208-Q212 VanDerWaalsContact O-CB 3.27Å; K208-Q212 WeakPolarHBondContact O-CB 2.97Å; K208-Q212 WeakPolarHBondContact O-CG 3.25Å; K208-Q212 PolarHBondContact O-N 3.46Å; K208-Q212 VanDerWaalsContact O-N 3.11Å; K208-Q212 PolarHBondContact O-OE1 3.38Å
213	N	71.5	Confident	78.6	Confident	138 Å²	138	100.8 Å²	100.8	74%	0.738	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.3	178	-64.6	-18.3	0	0	0	113.3	K209 V210 L211	K209-N213 PolarHBondContact O-ND2 2.98Å; V210-N213 PolarHBondContact O-N 2.97Å; L211-N213 PolarHBondContact O-N 3.13Å
214	C	60.6	Low	78.1	Confident	73 Å²	73	106.8 Å²	106.8	49%	0.493	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-9.6	179.5	-64.9	0	0	0	0	113.2	V210 L211	V210-C214 PolarHBondContact O-N 3.48Å; V210-C214 PolarHBondContact O-SG 2.95Å; L211-C214 PolarHBondContact O-N 3.01Å; L211-C214 VanDerWaalsContact O-N 3.15Å
215	N	51.4	Low	77.2	Confident	204 Å²	204	111.5 Å²	111.5	100%	1.091	54%	0.535	S	S	*	.			trans	-99.2	0	168.8	-69.6	-5.6	0	0	0	109.2

Retrieved 215 of 215 residues in 78.6 ms (Link to these results)

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