A0A087YLM0_POEFO Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A087YLM0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	60.7	Low	220 Å²	220	122.2 Å²	122.2	100%	1.084	63%	0.629	S	S	*	*				0	70.8	0	-175.2	176.3	168.4	0	0	108.9	K3	M1-K3 PolarHBondContact O-N 3.06Å
2	F	36.8	Very low	63.3	Low	193 Å²	193	114.9 Å²	114.9	85%	0.846	59%	0.594	S	S	*	*			trans	-85.1	29.1	-178.4	-77.4	-81.5	0	0	0	112.8	N4	F2-N4 PolarHBondContact O-N 3.3Å
3	K	43.9	Very low	65.7	Low	185 Å²	185	110.2 Å²	110.2	80%	0.804	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-11.6	-167.3	-88.4	-173.2	173.5	-177.9	0	115.6	M1	M1-K3 PolarHBondContact O-N 3.06Å
4	N	47	Very low	67.7	Low	144 Å²	144	106.4 Å²	106.4	77%	0.77	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	30	-170.3	-70	-10	0	0	0	114.8	F2	F2-N4 PolarHBondContact O-N 3.3Å
5	V	46.1	Very low	69.5	Low	105 Å²	105	102.8 Å²	102.8	64%	0.636	54%	0.541	S	S	*	.	S	Bend	trans	-81	-22.9	176.5	-176.3	0	0	0	0	111.9
6	F	51.2	Low	71.1	Confident	145 Å²	145	98.6 Å²	98.6	64%	0.636	52%	0.517	S	S	*	.	S	Bend	trans	-122.5	92.3	168.3	-58.9	-71.5	0	0	0	108.2	F10	F6-F10 HydrophobicContact CB-CD1 4.1Å; F6-F10 AromaticContact CD1-CD1 3.42Å; F6-F10 HydrophobicContact CD1-CD1 3.42Å; F6-F10 VanDerWaalsContact CD1-CD1 3.42Å; F6-F10 AromaticContact CD1-CE1 3.42Å; F6-F10 HydrophobicContact CD1-CE1 3.42Å; F6-F10 VanDerWaalsContact CD1-CE1 3.42Å; F6-F10 HydrophobicContact CD1-CG 4.21Å; F6-F10 HydrophobicContact CD1-CZ 4.22Å; F6-F10 HydrophobicContact CE1-CD1 4.26Å; F6-F10 AromaticContact CE1-CE1 3.8Å; F6-F10 HydrophobicContact CE1-CE1 3.8Å; F6-F10 HydrophobicContact CE1-CZ 4.3Å; F6-F10 HydrophobicContact CG-CD1 4.16Å; F6-F10 HydrophobicContact CG-CE1 4.42Å
7	G	66.4	Low	72.6	Confident	39 Å²	39	94.8 Å²	94.8	40%	0.402	50%	0.499	S	S	.	.			trans	-55.8	151.8	173.8	0	0	0	0	0	110.9	G9 F10 L11	G7-G9 PolarHBondContact O-N 3.19Å; G7-G9 VanDerWaalsContact O-N 3.08Å; G7-F10 WeakPolarHBondContact O-CB 3.4Å; G7-F10 PolarHBondContact O-N 3.42Å; G7-L11 PolarHBondContact O-N 3.28Å
8	S	75.6	Confident	73.9	Confident	79 Å²	79	93.7 Å²	93.7	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-47.3	-39.5	175.1	52.4	0	0	0	0	111.9	F10 L11 V12 E136	S8-F10 PolarHBondContact O-N 3.49Å; S8-L11 PolarHBondContact O-N 3.49Å; S8-V12 WeakPolarHBondContact O-CG2 3.19Å; S8-V12 PolarHBondContact O-N 2.74Å; S8-E136 WeakPolarHBondContact CB-OE2 3.41Å; S8-E136 PolarHBondContact OG-OE2 3.01Å
9	G	82.9	Confident	75.1	Confident	10 Å²	10	94.1 Å²	94.1	10%	0.103	50%	0.499	C	S	.	.	H	α-helix	trans	-49.1	-46.2	169.3	0	0	0	0	0	115.6	G7 R13 E136	G7-G9 PolarHBondContact O-N 3.19Å; G7-G9 VanDerWaalsContact O-N 3.08Å; G9-R13 WeakPolarHBondContact O-CB 3.49Å; G9-R13 WeakPolarHBondContact O-CD 3.22Å; G9-R13 WeakPolarHBondContact O-CG 3.45Å; G9-R13 PolarHBondContact O-N 2.81Å; G9-E136 PolarHBondContact N-OE2 3.18Å
10	F	88.5	Confident	76.2	Confident	108 Å²	108	90.5 Å²	90.5	47%	0.474	48%	0.48	S	S	.	.	H	α-helix	trans	-68.9	-43.6	179.8	177.1	-93.7	0	0	0	111.4	F6 G7 S8 T14	F6-F10 HydrophobicContact CB-CD1 4.1Å; F6-F10 AromaticContact CD1-CD1 3.42Å; F6-F10 HydrophobicContact CD1-CD1 3.42Å; F6-F10 VanDerWaalsContact CD1-CD1 3.42Å; F6-F10 AromaticContact CD1-CE1 3.42Å; F6-F10 HydrophobicContact CD1-CE1 3.42Å; F6-F10 VanDerWaalsContact CD1-CE1 3.42Å; F6-F10 HydrophobicContact CD1-CG 4.21Å; F6-F10 HydrophobicContact CD1-CZ 4.22Å; F6-F10 HydrophobicContact CE1-CD1 4.26Å; F6-F10 AromaticContact CE1-CE1 3.8Å; F6-F10 HydrophobicContact CE1-CE1 3.8Å; F6-F10 HydrophobicContact CE1-CZ 4.3Å; F6-F10 HydrophobicContact CG-CD1 4.16Å; F6-F10 HydrophobicContact CG-CE1 4.42Å; G7-F10 WeakPolarHBondContact O-CB 3.4Å; G7-F10 PolarHBondContact O-N 3.42Å; S8-F10 PolarHBondContact O-N 3.49Å; F10-T14 VanDerWaalsContact O-CB 3.25Å; F10-T14 WeakPolarHBondContact O-CB 3.41Å; F10-T14 PolarHBondContact O-N 3.05Å; F10-T14 PolarHBondContact O-OG1 3.34Å
11	L	91	Very high	77.3	Confident	116 Å²	116	91.1 Å²	91.1	61%	0.607	48%	0.476	S	S	*	.	H	α-helix	trans	-64.9	-46.7	-178.4	-175.6	142.7	0	0	0	111.4	G7 S8 T14 A15	G7-L11 PolarHBondContact O-N 3.28Å; S8-L11 PolarHBondContact O-N 3.49Å; L11-T14 PolarHBondContact O-N 3.1Å; L11-A15 VanDerWaalsContact O-CB 3.27Å; L11-A15 WeakPolarHBondContact O-CB 3.39Å; L11-A15 PolarHBondContact O-N 3.28Å
12	V	92.4	Very high	80.1	Confident	35 Å²	35	84.7 Å²	84.7	21%	0.212	45%	0.445	C	S	.	.	H	α-helix	trans	-62.5	-46.9	179.2	174.7	0	0	0	0	111.1	S8 T14 A15 H16 W134 E136	S8-V12 WeakPolarHBondContact O-CG2 3.19Å; S8-V12 PolarHBondContact O-N 2.74Å; V12-T14 PolarHBondContact O-N 2.82Å; V12-A15 PolarHBondContact O-N 3.4Å; V12-H16 WeakPolarHBondContact O-CB 3.33Å; V12-H16 PolarHBondContact O-N 3.09Å; V12-W134 VanDerWaalsContact CG1-O 3.25Å; V12-W134 WeakPolarHBondContact CG1-O 3.12Å; V12-E136 HydrophobicContact CB-CG 3.83Å; V12-E136 HydrophobicContact CG1-CG 4.19Å; V12-E136 HydrophobicContact CG2-CG 3.77Å
13	R	93.7	Very high	82.9	Confident	53 Å²	53	79.7 Å²	79.7	20%	0.2	43%	0.427	C	S	.	.	H	α-helix	trans	-63.2	-43.5	178.5	-68.3	173.4	-172.2	125.7	3.7	111.8	G9 H16 V17 Y60 F61 S64	G9-R13 WeakPolarHBondContact O-CB 3.49Å; G9-R13 WeakPolarHBondContact O-CD 3.22Å; G9-R13 WeakPolarHBondContact O-CG 3.45Å; G9-R13 PolarHBondContact O-N 2.81Å; R13-H16 PolarHBondContact O-N 3.1Å; R13-V17 VanDerWaalsContact O-CG2 3.31Å; R13-V17 WeakPolarHBondContact O-CG2 3.27Å; R13-V17 PolarHBondContact O-N 3.43Å; R13-Y60 WeakPolarHBondContact CA-OH 3.23Å; R13-Y60 HydrophobicContact CB-CE1 4.11Å; R13-Y60 HydrophobicContact CG-CE1 3.83Å; R13-Y60 WeakPolarHBondContact CG-OH 3.38Å; R13-F61 HydrophobicContact CB-CE1 4.31Å; R13-S64 PolarHBondContact NH2-O 2.76Å
14	T	94.2	Very high	85.4	Confident	57 Å²	57	71.4 Å²	71.4	35%	0.35	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-47.7	177.5	-57.9	0	0	0	0	110.9	F10 L11 V12 H16 V17 V18	F10-T14 VanDerWaalsContact O-CB 3.25Å; F10-T14 WeakPolarHBondContact O-CB 3.41Å; F10-T14 PolarHBondContact O-N 3.05Å; F10-T14 PolarHBondContact O-OG1 3.34Å; L11-T14 PolarHBondContact O-N 3.1Å; V12-T14 PolarHBondContact O-N 2.82Å; T14-H16 VanDerWaalsContact C-N 3.34Å; T14-H16 PolarHBondContact O-N 3.11Å; T14-V17 PolarHBondContact O-N 2.96Å; T14-V18 HydrophobicContact CG2-CG2 4.16Å; T14-V18 WeakPolarHBondContact O-CB 3.34Å; T14-V18 VanDerWaalsContact O-CG2 3.26Å; T14-V18 WeakPolarHBondContact O-CG2 3.45Å; T14-V18 PolarHBondContact O-N 2.68Å
15	A	94.8	Very high	87.7	Confident	53 Å²	53	69.1 Å²	69.1	44%	0.438	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-43.5	178.3	0	0	0	0	0	111.9	L11 V12 L19	L11-A15 VanDerWaalsContact O-CB 3.27Å; L11-A15 WeakPolarHBondContact O-CB 3.39Å; L11-A15 PolarHBondContact O-N 3.28Å; V12-A15 PolarHBondContact O-N 3.4Å; A15-L19 WeakPolarHBondContact O-CB 3.31Å; A15-L19 PolarHBondContact O-N 2.88Å
16	H	95.3	Very high	90	Very high	35 Å²	35	67.9 Å²	67.9	16%	0.162	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-48.1	177	180	78.5	0	0	0	112.1	V12 R13 T14 T20 Y60	V12-H16 WeakPolarHBondContact O-CB 3.33Å; V12-H16 PolarHBondContact O-N 3.09Å; R13-H16 PolarHBondContact O-N 3.1Å; T14-H16 VanDerWaalsContact C-N 3.34Å; T14-H16 PolarHBondContact O-N 3.11Å; H16-T20 WeakPolarHBondContact O-CB 3.01Å; H16-T20 PolarHBondContact O-N 3.4Å; H16-T20 PolarHBondContact O-OG1 2.86Å; H16-Y60 HydrophobicContact CB-CE1 4.26Å; H16-Y60 HydrophobicContact CB-CE2 4.47Å; H16-Y60 AromaticContact CD2-CD1 3.56Å; H16-Y60 AromaticContact CD2-CD2 3.77Å; H16-Y60 AromaticContact CD2-CE1 3.68Å; H16-Y60 AromaticContact CD2-CE2 3.89Å; H16-Y60 AromaticContact CD2-CG 3.6Å; H16-Y60 AromaticContact CD2-CZ 3.86Å; H16-Y60 AromaticContact CG-CE2 3.99Å; H16-Y60 AromaticContact CG-CZ 3.93Å; H16-Y60 AromaticContact NE2-CD2 3.73Å; H16-Y60 AromaticContact NE2-CG 3.66Å
17	V	96.1	Very high	92.1	Very high	34 Å²	34	61.5 Å²	61.5	21%	0.206	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-49.1	179.1	172.9	0	0	0	0	111	R13 T14 L19 T20 W21 V57 F61	R13-V17 VanDerWaalsContact O-CG2 3.31Å; R13-V17 WeakPolarHBondContact O-CG2 3.27Å; R13-V17 PolarHBondContact O-N 3.43Å; T14-V17 PolarHBondContact O-N 2.96Å; V17-L19 PolarHBondContact O-N 3.1Å; V17-T20 PolarHBondContact O-N 3.2Å; V17-W21 PolarHBondContact O-N 3.13Å; V17-V57 HydrophobicContact CG2-CG1 4.23Å; V17-F61 HydrophobicContact CG2-CE2 3.59Å; V17-F61 HydrophobicContact CG2-CZ 3.72Å
18	V	97.3	Very high	93.4	Very high	75 Å²	75	61 Å²	61	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-48.4	-179.9	169.1	0	0	0	0	110.8	T14 T20 W21 I22	T14-V18 HydrophobicContact CG2-CG2 4.16Å; T14-V18 WeakPolarHBondContact O-CB 3.34Å; T14-V18 VanDerWaalsContact O-CG2 3.26Å; T14-V18 WeakPolarHBondContact O-CG2 3.45Å; T14-V18 PolarHBondContact O-N 2.68Å; V18-T20 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 2.78Å; V18-W21 PolarHBondContact O-N 2.94Å; V18-I22 HydrophobicContact CG1-CD1 3.53Å; V18-I22 HydrophobicContact CG1-CG1 4.28Å; V18-I22 WeakPolarHBondContact O-CB 3.48Å; V18-I22 VanDerWaalsContact O-CG1 3.24Å; V18-I22 WeakPolarHBondContact O-CG1 3.43Å; V18-I22 PolarHBondContact O-N 2.95Å
19	L	96.5	Very high	94.1	Very high	102 Å²	102	62.6 Å²	62.6	53%	0.534	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-44.9	178.8	-179.8	62.8	0	0	0	111.7	A15 V17 W21 I22 I23	A15-L19 WeakPolarHBondContact O-CB 3.31Å; A15-L19 PolarHBondContact O-N 2.88Å; V17-L19 PolarHBondContact O-N 3.1Å; L19-W21 PolarHBondContact O-N 3.48Å; L19-I22 PolarHBondContact O-N 3.44Å; L19-I23 HydrophobicContact CD1-CD1 3.81Å; L19-I23 HydrophobicContact CD1-CG1 4.18Å; L19-I23 HydrophobicContact CG-CD1 3.85Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.44Å; L19-I23 PolarHBondContact O-N 3.26Å
20	T	97.3	Very high	94.3	Very high	21 Å²	21	69.7 Å²	69.7	13%	0.129	35%	0.353	C	S	.	.	H	α-helix	trans	-59.2	-50.3	179.8	-59.5	0	0	0	0	110.9	H16 V17 V18 I23 T24 V53 V57	H16-T20 WeakPolarHBondContact O-CB 3.01Å; H16-T20 PolarHBondContact O-N 3.4Å; H16-T20 PolarHBondContact O-OG1 2.86Å; V17-T20 PolarHBondContact O-N 3.2Å; V18-T20 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 2.78Å; T20-I23 PolarHBondContact O-N 3.04Å; T20-T24 PolarHBondContact O-N 3.15Å; T20-T24 PolarHBondContact O-OG1 3.43Å; T20-V53 HydrophobicContact CG2-CG1 3.66Å; T20-V57 HydrophobicContact CG2-CG2 4.07Å
21	W	97.8	Very high	94.3	Very high	104 Å²	104	69 Å²	69	39%	0.394	35%	0.354	S	S	.	.	H	α-helix	trans	-70.5	-33.8	-179.1	-74.7	110.8	0	0	0	113.5	V17 V18 L19 T24 L25	V17-W21 PolarHBondContact O-N 3.13Å; V18-W21 PolarHBondContact O-N 2.94Å; L19-W21 PolarHBondContact O-N 3.48Å; W21-T24 PolarHBondContact O-N 3.34Å; W21-L25 VanDerWaalsContact O-CB 3.27Å; W21-L25 WeakPolarHBondContact O-CB 3.2Å; W21-L25 PolarHBondContact O-N 3.49Å
22	I	97.5	Very high	94.3	Very high	85 Å²	85	63.6 Å²	63.6	44%	0.436	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-46.7	172.8	-73.6	173.2	0	0	0	110.4	V18 L19 L25 I26	V18-I22 HydrophobicContact CG1-CD1 3.53Å; V18-I22 HydrophobicContact CG1-CG1 4.28Å; V18-I22 WeakPolarHBondContact O-CB 3.48Å; V18-I22 VanDerWaalsContact O-CG1 3.24Å; V18-I22 WeakPolarHBondContact O-CG1 3.43Å; V18-I22 PolarHBondContact O-N 2.95Å; L19-I22 PolarHBondContact O-N 3.44Å; I22-L25 PolarHBondContact O-N 3.44Å; I22-I26 HydrophobicContact CG2-CD1 3.83Å; I22-I26 HydrophobicContact CG2-CG1 4.46Å; I22-I26 VanDerWaalsContact O-CG1 3.3Å; I22-I26 WeakPolarHBondContact O-CG1 3.29Å; I22-I26 PolarHBondContact O-N 3.45Å
23	I	95.8	Very high	94.3	Very high	89 Å²	89	65.7 Å²	65.7	46%	0.456	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-47.2	178	-68.9	168.6	0	0	0	110	L19 T20 L25 I26 L27	L19-I23 HydrophobicContact CD1-CD1 3.81Å; L19-I23 HydrophobicContact CD1-CG1 4.18Å; L19-I23 HydrophobicContact CG-CD1 3.85Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.44Å; L19-I23 PolarHBondContact O-N 3.26Å; T20-I23 PolarHBondContact O-N 3.04Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 3.46Å; I23-I26 PolarHBondContact O-N 2.79Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.84Å; I23-L27 VanDerWaalsContact O-N 3.12Å
24	T	96.3	Very high	94.3	Very high	11 Å²	11	63.2 Å²	63.2	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-56.8	-47.5	175.8	-57.9	0	0	0	0	111	T20 W21 I26 L27 F28 F49	T20-T24 PolarHBondContact O-N 3.15Å; T20-T24 PolarHBondContact O-OG1 3.43Å; W21-T24 PolarHBondContact O-N 3.34Å; T24-I26 PolarHBondContact O-N 3.23Å; T24-L27 WeakPolarHBondContact O-CB 3.47Å; T24-L27 PolarHBondContact O-N 3.43Å; T24-F28 HydrophobicContact CG2-CD2 4.36Å; T24-F28 HydrophobicContact CG2-CE2 4.25Å; T24-F28 WeakPolarHBondContact O-CD2 3.35Å; T24-F28 PolarHBondContact O-N 3.01Å; T24-F49 HydrophobicContact CG2-CE1 4.21Å
25	L	95.7	Very high	94.2	Very high	96 Å²	96	64.1 Å²	64.1	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-58.5	-45.1	177.6	178.4	63.8	0	0	0	112	W21 I22 I23 L27 F28 L29	W21-L25 VanDerWaalsContact O-CB 3.27Å; W21-L25 WeakPolarHBondContact O-CB 3.2Å; W21-L25 PolarHBondContact O-N 3.49Å; I22-L25 PolarHBondContact O-N 3.44Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 3.46Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 3.29Å; L25-F28 CarbonylContact O-C 3.5Å; L25-F28 PolarHBondContact O-N 2.83Å; L25-L29 HydrophobicContact CD1-CD1 3.98Å; L25-L29 HydrophobicContact CD1-CD2 4.37Å; L25-L29 HydrophobicContact CD1-CG 3.97Å; L25-L29 HydrophobicContact CD2-CD1 4.19Å; L25-L29 HydrophobicContact CG-CD1 3.72Å; L25-L29 HydrophobicContact CG-CG 4.11Å; L25-L29 WeakPolarHBondContact O-CG 3.36Å; L25-L29 PolarHBondContact O-N 3.17Å
26	I	93.9	Very high	94.1	Very high	78 Å²	78	65 Å²	65	40%	0.4	32%	0.316	S	S	.	.	H	α-helix	trans	-57.5	-41.1	177.9	-71.9	167.1	0	0	0	111.1	I22 I23 T24 F28 L29 Y30	I22-I26 HydrophobicContact CG2-CD1 3.83Å; I22-I26 HydrophobicContact CG2-CG1 4.46Å; I22-I26 VanDerWaalsContact O-CG1 3.3Å; I22-I26 WeakPolarHBondContact O-CG1 3.29Å; I22-I26 PolarHBondContact O-N 3.45Å; I23-I26 PolarHBondContact O-N 2.79Å; T24-I26 PolarHBondContact O-N 3.23Å; I26-F28 PolarHBondContact O-N 3.22Å; I26-L29 PolarHBondContact O-N 3.46Å; I26-L29 VanDerWaalsContact O-N 3.16Å; I26-Y30 HydrophobicContact CG2-CD2 3.86Å; I26-Y30 HydrophobicContact CG2-CE2 4.21Å; I26-Y30 PolarHBondContact O-N 3.46Å; I26-Y30 VanDerWaalsContact O-N 3.11Å
27	L	94.6	Very high	94	Very high	12 Å²	12	63.8 Å²	63.8	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-29.6	177.5	-63.2	177.2	0	0	0	112.5	I23 T24 L25 T32 F49 V164 A165	I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.84Å; I23-L27 VanDerWaalsContact O-N 3.12Å; T24-L27 WeakPolarHBondContact O-CB 3.47Å; T24-L27 PolarHBondContact O-N 3.43Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 3.29Å; L27-T32 HydrophobicContact CD2-CG2 4.43Å; L27-T32 VanDerWaalsContact O-CG2 3.31Å; L27-T32 WeakPolarHBondContact O-CG2 3.44Å; L27-T32 PolarHBondContact O-OG1 2.81Å; L27-F49 HydrophobicContact CD1-CE1 3.87Å; L27-F49 HydrophobicContact CD1-CZ 3.7Å; L27-V164 HydrophobicContact CB-CG1 4.33Å; L27-V164 HydrophobicContact CD1-CG1 4.47Å; L27-V164 HydrophobicContact CD2-CG1 4.15Å; L27-A165 HydrophobicContact CD2-CB 3.87Å
28	F	94.2	Very high	93.9	Very high	29 Å²	29	66.3 Å²	66.3	13%	0.127	32%	0.32	C	S	.	.	H	α-helix	trans	-90.1	-14.7	176.9	-80.4	-96.6	0	0	0	114.3	T24 L25 I26 L34 R35 P46 F49 V50	T24-F28 HydrophobicContact CG2-CD2 4.36Å; T24-F28 HydrophobicContact CG2-CE2 4.25Å; T24-F28 WeakPolarHBondContact O-CD2 3.35Å; T24-F28 PolarHBondContact O-N 3.01Å; L25-F28 CarbonylContact O-C 3.5Å; L25-F28 PolarHBondContact O-N 2.83Å; I26-F28 PolarHBondContact O-N 3.22Å; F28-L34 HydrophobicContact CE2-CD1 3.91Å; F28-L34 HydrophobicContact CZ-CB 4.46Å; F28-L34 HydrophobicContact CZ-CD1 4.18Å; F28-R35 VanDerWaalsContact O-CD 3.28Å; F28-R35 WeakPolarHBondContact O-CD 3.49Å; F28-R35 PolarHBondContact O-NH1 2.88Å; F28-P46 HydrophobicContact CE1-CB 3.87Å; F28-P46 HydrophobicContact CZ-CB 3.96Å; F28-F49 HydrophobicContact CE2-CD1 4.23Å; F28-V50 HydrophobicContact CE2-CG2 3.97Å; F28-V50 HydrophobicContact CZ-CG2 3.84Å
29	L	90.3	Very high	93.7	Very high	112 Å²	112	68.9 Å²	68.9	59%	0.586	33%	0.327	S	S	*	.	H	α-helix	trans	-92.8	-26	178.3	-69.1	-179.8	0	0	0	113.3	L25 I26	L25-L29 HydrophobicContact CD1-CD1 3.98Å; L25-L29 HydrophobicContact CD1-CD2 4.37Å; L25-L29 HydrophobicContact CD1-CG 3.97Å; L25-L29 HydrophobicContact CD2-CD1 4.19Å; L25-L29 HydrophobicContact CG-CD1 3.72Å; L25-L29 HydrophobicContact CG-CG 4.11Å; L25-L29 WeakPolarHBondContact O-CG 3.36Å; L25-L29 PolarHBondContact O-N 3.17Å; I26-L29 PolarHBondContact O-N 3.46Å; I26-L29 VanDerWaalsContact O-N 3.16Å
30	Y	88.2	Confident	93.6	Very high	158 Å²	158	68.7 Å²	68.7	62%	0.62	33%	0.33	S	S	*	.	S	Bend	trans	-92.3	166.5	178.4	-85.6	-96.4	0	0	0	112.5	I26 T32 R35	I26-Y30 HydrophobicContact CG2-CD2 3.86Å; I26-Y30 HydrophobicContact CG2-CE2 4.21Å; I26-Y30 PolarHBondContact O-N 3.46Å; I26-Y30 VanDerWaalsContact O-N 3.11Å; Y30-T32 PolarHBondContact O-N 2.92Å; Y30-R35 WeakPolarHBondContact O-CB 3.24Å; Y30-R35 WeakPolarHBondContact O-CG 3.46Å
31	D	87.1	Confident	93.4	Very high	93 Å²	93	70.2 Å²	70.2	50%	0.497	35%	0.35	S	S	.	.	S	Bend	trans	-70.4	47.2	-179.9	-168.7	47.7	0	0	0	113.6	K36 G168	D31-K36 PolarHBondContact O-NZ 3.39Å; D31-K36 WeakPolarHBondContact OD1-CE 3.48Å; D31-K36 IonicContact OD1-NZ 2.89Å; D31-K36 PolarHBondContact OD1-NZ 3.42Å; D31-K36 VanDerWaalsContact OD2-CE 3.29Å; D31-K36 WeakPolarHBondContact OD2-CE 3.46Å; D31-K36 IonicContact OD2-NZ 3.19Å; D31-K36 PolarHBondContact OD2-NZ 3.1Å; D31-G168 WeakPolarHBondContact O-CA 3.42Å
32	T	91.8	Very high	93.3	Very high	4 Å²	4	71.2 Å²	71.2	3%	0.025	36%	0.359	C	S	.	.	S	Bend	trans	-81.9	166.3	175.4	75.6	0	0	0	0	111	L27 Y30 L34 R35 K36 V164	L27-T32 HydrophobicContact CD2-CG2 4.43Å; L27-T32 VanDerWaalsContact O-CG2 3.31Å; L27-T32 WeakPolarHBondContact O-CG2 3.44Å; L27-T32 PolarHBondContact O-OG1 2.81Å; Y30-T32 PolarHBondContact O-N 2.92Å; T32-L34 VanDerWaalsContact C-N 3.26Å; T32-L34 PolarHBondContact O-N 3.13Å; T32-L34 PolarHBondContact OG1-N 2.69Å; T32-R35 PolarHBondContact O-N 3.49Å; T32-R35 PolarHBondContact OG1-N 3.36Å; T32-K36 WeakPolarHBondContact O-CG 3.47Å; T32-K36 PolarHBondContact O-N 2.71Å; T32-K36 VanDerWaalsContact O-N 3.08Å; T32-V164 HydrophobicContact CG2-CG1 4.12Å
33	E	92.4	Very high	93.2	Very high	79 Å²	79	71.7 Å²	71.7	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-37.3	172.7	-175.6	59.4	-157.9	0	0	112.8	R35 K36 Q37 T167	E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.07Å; E33-K36 PolarHBondContact O-N 3.44Å; E33-Q37 HydrophobicContact CG-CG 4.41Å; E33-Q37 WeakPolarHBondContact O-CB 3.18Å; E33-Q37 VanDerWaalsContact O-CG 3.24Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 2.65Å; E33-Q37 PolarHBondContact OE1-NE2 2.85Å; E33-T167 HydrophobicContact CB-CG2 4.16Å; E33-T167 WeakPolarHBondContact CB-OG1 3.28Å; E33-T167 PolarHBondContact N-OG1 3Å
34	L	93.2	Very high	93.2	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-40.6	178.2	-72.4	-175.8	0	0	0	111.9	F28 T32 Q37 E38 P46 F49 V164	F28-L34 HydrophobicContact CE2-CD1 3.91Å; F28-L34 HydrophobicContact CZ-CB 4.46Å; F28-L34 HydrophobicContact CZ-CD1 4.18Å; T32-L34 VanDerWaalsContact C-N 3.26Å; T32-L34 PolarHBondContact O-N 3.13Å; T32-L34 PolarHBondContact OG1-N 2.69Å; L34-Q37 PolarHBondContact O-N 3.05Å; L34-E38 PolarHBondContact O-N 2.67Å; L34-P46 HydrophobicContact CD2-CG 4.33Å; L34-F49 HydrophobicContact CD1-CB 4.31Å; L34-F49 HydrophobicContact CD1-CD1 3.61Å; L34-F49 HydrophobicContact CD1-CE1 4.02Å; L34-F49 HydrophobicContact CD1-CG 3.9Å; L34-V164 HydrophobicContact CB-CG1 4.17Å; L34-V164 HydrophobicContact CD1-CB 4.45Å; L34-V164 HydrophobicContact CD1-CG1 3.78Å; L34-V164 HydrophobicContact CD1-CG2 4.03Å; L34-V164 HydrophobicContact CD2-CG2 4.46Å; L34-V164 HydrophobicContact CG-CB 4.43Å; L34-V164 HydrophobicContact CG-CG1 3.65Å; L34-V164 HydrophobicContact CG-CG2 3.87Å
35	R	93.1	Very high	93.2	Very high	75 Å²	75	77.3 Å²	77.3	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-66.8	-43.6	176.6	176.4	50.7	174.9	-126.6	7.9	111.5	F28 Y30 T32 E33 Q37 E38 E39	F28-R35 VanDerWaalsContact O-CD 3.28Å; F28-R35 WeakPolarHBondContact O-CD 3.49Å; F28-R35 PolarHBondContact O-NH1 2.88Å; Y30-R35 WeakPolarHBondContact O-CB 3.24Å; Y30-R35 WeakPolarHBondContact O-CG 3.46Å; T32-R35 PolarHBondContact O-N 3.49Å; T32-R35 PolarHBondContact OG1-N 3.36Å; E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.07Å; R35-Q37 VanDerWaalsContact C-N 3.29Å; R35-Q37 PolarHBondContact O-N 3.27Å; R35-E38 WeakPolarHBondContact O-CB 3.27Å; R35-E38 PolarHBondContact O-N 2.9Å; R35-E39 IonicContact CZ-OE1 3.44Å; R35-E39 IonicContact NE-OE1 2.76Å; R35-E39 PolarHBondContact NE-OE1 3.03Å; R35-E39 IonicContact NH2-OE1 3.13Å; R35-E39 PolarHBondContact NH2-OE1 2.69Å; R35-E39 WeakPolarHBondContact O-CG 3.32Å; R35-E39 PolarHBondContact O-N 2.91Å
36	K	91.9	Very high	93.2	Very high	72 Å²	72	73 Å²	73	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-40.5	176.3	-70.6	169.2	-176.2	163.7	0	111.8	D31 T32 E33 E39 T40	D31-K36 PolarHBondContact O-NZ 3.39Å; D31-K36 WeakPolarHBondContact OD1-CE 3.48Å; D31-K36 IonicContact OD1-NZ 2.89Å; D31-K36 PolarHBondContact OD1-NZ 3.42Å; D31-K36 VanDerWaalsContact OD2-CE 3.29Å; D31-K36 WeakPolarHBondContact OD2-CE 3.46Å; D31-K36 IonicContact OD2-NZ 3.19Å; D31-K36 PolarHBondContact OD2-NZ 3.1Å; T32-K36 WeakPolarHBondContact O-CG 3.47Å; T32-K36 PolarHBondContact O-N 2.71Å; T32-K36 VanDerWaalsContact O-N 3.08Å; E33-K36 PolarHBondContact O-N 3.44Å; K36-E39 PolarHBondContact O-N 3.45Å; K36-T40 WeakPolarHBondContact O-CB 3.36Å; K36-T40 VanDerWaalsContact O-CG2 3.27Å; K36-T40 WeakPolarHBondContact O-CG2 3.41Å; K36-T40 PolarHBondContact O-N 3.31Å; K36-T40 PolarHBondContact O-OG1 2.9Å
37	Q	93.1	Very high	93.4	Very high	10 Å²	10	72.9 Å²	72.9	5%	0.047	37%	0.37	C	S	.	.	H	α-helix	trans	-67.9	-38.5	177	-72.9	173.6	-4	0	0	112.5	E33 L34 R35 T40 G41 Q42 Q45 P46	E33-Q37 HydrophobicContact CG-CG 4.41Å; E33-Q37 WeakPolarHBondContact O-CB 3.18Å; E33-Q37 VanDerWaalsContact O-CG 3.24Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 2.65Å; E33-Q37 PolarHBondContact OE1-NE2 2.85Å; L34-Q37 PolarHBondContact O-N 3.05Å; R35-Q37 VanDerWaalsContact C-N 3.29Å; R35-Q37 PolarHBondContact O-N 3.27Å; Q37-T40 WeakPolarHBondContact CA-OG1 3.41Å; Q37-T40 PolarHBondContact O-N 3.15Å; Q37-T40 PolarHBondContact O-OG1 3.13Å; Q37-G41 PolarHBondContact O-N 3.44Å; Q37-G41 VanDerWaalsContact O-N 3.11Å; Q37-Q42 HydrophobicContact CB-CB 4.28Å; Q37-Q42 PolarHBondContact O-N 3.42Å; Q37-Q45 VanDerWaalsContact CD-OE1 3.3Å; Q37-P46 HydrophobicContact CB-CG 4.11Å
38	E	93.8	Very high	93.5	Very high	86 Å²	86	76.2 Å²	76.2	40%	0.402	39%	0.387	S	S	.	.	H	α-helix	trans	-60.6	-49.1	171.8	-175.9	-175.7	-160.6	0	0	111.4	L34 R35 T40 G41	L34-E38 PolarHBondContact O-N 2.67Å; R35-E38 WeakPolarHBondContact O-CB 3.27Å; R35-E38 PolarHBondContact O-N 2.9Å; E38-T40 VanDerWaalsContact C-N 3.28Å; E38-T40 PolarHBondContact O-N 3.45Å; E38-G41 PolarHBondContact O-N 3.21Å; E38-G41 VanDerWaalsContact O-N 3.1Å
39	E	92.9	Very high	93.7	Very high	129 Å²	129	75 Å²	75	60%	0.603	38%	0.381	S	S	*	.	H	α-helix	trans	-64.4	-31.2	-179.9	-71.6	-179.3	171.7	0	0	113.2	R35 K36 G41	R35-E39 IonicContact CZ-OE1 3.44Å; R35-E39 IonicContact NE-OE1 2.76Å; R35-E39 PolarHBondContact NE-OE1 3.03Å; R35-E39 IonicContact NH2-OE1 3.13Å; R35-E39 PolarHBondContact NH2-OE1 2.69Å; R35-E39 WeakPolarHBondContact O-CG 3.32Å; R35-E39 PolarHBondContact O-N 2.91Å; K36-E39 PolarHBondContact O-N 3.45Å; E39-G41 VanDerWaalsContact C-N 3.35Å
40	T	94.6	Very high	94.1	Very high	98 Å²	98	72 Å²	72	60%	0.601	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.5	176.8	55.6	0	0	0	0	113.6	K36 Q37 E38	K36-T40 WeakPolarHBondContact O-CB 3.36Å; K36-T40 VanDerWaalsContact O-CG2 3.27Å; K36-T40 WeakPolarHBondContact O-CG2 3.41Å; K36-T40 PolarHBondContact O-N 3.31Å; K36-T40 PolarHBondContact O-OG1 2.9Å; Q37-T40 WeakPolarHBondContact CA-OG1 3.41Å; Q37-T40 PolarHBondContact O-N 3.15Å; Q37-T40 PolarHBondContact O-OG1 3.13Å; E38-T40 VanDerWaalsContact C-N 3.28Å; E38-T40 PolarHBondContact O-N 3.45Å
41	G	93.6	Very high	94.5	Very high	53 Å²	53	68.7 Å²	68.7	55%	0.546	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	8.3	179.1	0	0	0	0	0	115.3	Q37 E38 E39 L43	Q37-G41 PolarHBondContact O-N 3.44Å; Q37-G41 VanDerWaalsContact O-N 3.11Å; E38-G41 PolarHBondContact O-N 3.21Å; E38-G41 VanDerWaalsContact O-N 3.1Å; E39-G41 VanDerWaalsContact C-N 3.35Å; G41-L43 PolarHBondContact O-N 3.33Å; G41-L43 VanDerWaalsContact O-N 3.09Å
42	Q	95.8	Very high	95.1	Very high	126 Å²	126	65.8 Å²	65.8	59%	0.589	35%	0.345	S	S	*	.			trans	-83.1	74.9	176.1	-63.5	-172.1	11.4	0	0	111.3	Q37 L44 P46	Q37-Q42 HydrophobicContact CB-CB 4.28Å; Q37-Q42 PolarHBondContact O-N 3.42Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 3.33Å; Q42-P46 WeakPolarHBondContact O-CD 3.23Å
43	L	95.6	Very high	95.4	Very high	95 Å²	95	65.7 Å²	65.7	50%	0.497	34%	0.344	S	S	.	.			trans	-76.5	-9.2	-169.4	-58.8	-177.9	0	0	0	115.8	G41 Q45 P46 V47	G41-L43 PolarHBondContact O-N 3.33Å; G41-L43 VanDerWaalsContact O-N 3.09Å; L43-Q45 PolarHBondContact O-N 2.87Å; L43-P46 WeakPolarHBondContact O-CD 3.37Å; L43-V47 HydrophobicContact CB-CG2 4.3Å; L43-V47 VanDerWaalsContact O-CB 3.29Å; L43-V47 WeakPolarHBondContact O-CB 3.45Å; L43-V47 WeakPolarHBondContact O-CG2 3.43Å; L43-V47 PolarHBondContact O-N 3.41Å
44	L	96.1	Very high	95.6	Very high	129 Å²	129	65.4 Å²	65.4	68%	0.675	35%	0.345	S	S	*	.	H	α-helix	trans	-59.3	-53.4	-173.3	179.1	62.1	0	0	0	112.5	Q42 V47 L48	Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 3.33Å; L44-V47 PolarHBondContact O-N 2.76Å; L44-L48 HydrophobicContact CD1-CD1 3.87Å; L44-L48 HydrophobicContact CD1-CG 4.13Å; L44-L48 HydrophobicContact CG-CD1 3.96Å; L44-L48 WeakPolarHBondContact O-CB 3.49Å; L44-L48 WeakPolarHBondContact O-CG 3.17Å; L44-L48 PolarHBondContact O-N 3.37Å
45	Q	95.5	Very high	95.9	Very high	88 Å²	88	69 Å²	69	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-46.2	-179.2	-73.7	-172.8	9.9	0	0	112.6	Q37 L43 V47 L48 F49	Q37-Q45 VanDerWaalsContact CD-OE1 3.3Å; L43-Q45 PolarHBondContact O-N 2.87Å; Q45-V47 PolarHBondContact O-N 3.19Å; Q45-L48 PolarHBondContact O-N 2.91Å; Q45-F49 WeakPolarHBondContact O-CB 3.2Å; Q45-F49 PolarHBondContact O-N 3.41Å
46	P	96.4	Very high	96.1	Very high	7 Å²	7	65.5 Å²	65.5	5%	0.045	35%	0.353	C	S	.	.	H	α-helix	trans	-51.6	-49.1	170.9	-32.4	37.4	0	0	0	114.1	F28 L34 Q37 Q42 L43 F49 V50	F28-P46 HydrophobicContact CE1-CB 3.87Å; F28-P46 HydrophobicContact CZ-CB 3.96Å; L34-P46 HydrophobicContact CD2-CG 4.33Å; Q37-P46 HydrophobicContact CB-CG 4.11Å; Q42-P46 WeakPolarHBondContact O-CD 3.23Å; L43-P46 WeakPolarHBondContact O-CD 3.37Å; P46-F49 PolarHBondContact O-N 3.49Å; P46-V50 WeakPolarHBondContact O-CG2 3.41Å; P46-V50 PolarHBondContact O-N 2.99Å
47	V	97.2	Very high	96.4	Very high	75 Å²	75	62.6 Å²	62.6	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-45.5	-179.6	170.1	0	0	0	0	110.8	L43 L44 Q45 F49 V50 L51	L43-V47 HydrophobicContact CB-CG2 4.3Å; L43-V47 VanDerWaalsContact O-CB 3.29Å; L43-V47 WeakPolarHBondContact O-CB 3.45Å; L43-V47 WeakPolarHBondContact O-CG2 3.43Å; L43-V47 PolarHBondContact O-N 3.41Å; L44-V47 PolarHBondContact O-N 2.76Å; Q45-V47 PolarHBondContact O-N 3.19Å; V47-F49 VanDerWaalsContact C-N 3.31Å; V47-F49 PolarHBondContact O-N 2.95Å; V47-V50 PolarHBondContact O-N 3.32Å; V47-L51 HydrophobicContact CG1-CD1 3.78Å; V47-L51 HydrophobicContact CG1-CG 4.19Å; V47-L51 WeakPolarHBondContact O-CB 3.37Å; V47-L51 VanDerWaalsContact O-CG 3.23Å; V47-L51 WeakPolarHBondContact O-CG 3.43Å; V47-L51 PolarHBondContact O-N 3.03Å
48	L	97.6	Very high	96.7	Very high	81 Å²	81	67.3 Å²	67.3	42%	0.424	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-41.2	177.3	-73.5	174.9	0	0	0	112.1	L44 Q45 L51 L52 W160	L44-L48 HydrophobicContact CD1-CD1 3.87Å; L44-L48 HydrophobicContact CD1-CG 4.13Å; L44-L48 HydrophobicContact CG-CD1 3.96Å; L44-L48 WeakPolarHBondContact O-CB 3.49Å; L44-L48 WeakPolarHBondContact O-CG 3.17Å; L44-L48 PolarHBondContact O-N 3.37Å; Q45-L48 PolarHBondContact O-N 2.91Å; L48-L51 PolarHBondContact O-N 3.41Å; L48-L52 WeakPolarHBondContact O-CB 2.84Å; L48-L52 PolarHBondContact O-N 3.33Å; L48-W160 HydrophobicContact CB-CH2 4.09Å
49	F	97.9	Very high	96.8	Very high	3 Å²	3	64 Å²	64	1%	0.013	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-46.8	177.6	-176.3	-101.9	0	0	0	111.7	T24 L27 F28 L34 Q45 P46 V47 L51 L52 V53 W160	T24-F49 HydrophobicContact CG2-CE1 4.21Å; L27-F49 HydrophobicContact CD1-CE1 3.87Å; L27-F49 HydrophobicContact CD1-CZ 3.7Å; F28-F49 HydrophobicContact CE2-CD1 4.23Å; L34-F49 HydrophobicContact CD1-CB 4.31Å; L34-F49 HydrophobicContact CD1-CD1 3.61Å; L34-F49 HydrophobicContact CD1-CE1 4.02Å; L34-F49 HydrophobicContact CD1-CG 3.9Å; Q45-F49 WeakPolarHBondContact O-CB 3.2Å; Q45-F49 PolarHBondContact O-N 3.41Å; P46-F49 PolarHBondContact O-N 3.49Å; V47-F49 VanDerWaalsContact C-N 3.31Å; V47-F49 PolarHBondContact O-N 2.95Å; F49-L51 PolarHBondContact O-N 2.93Å; F49-L52 WeakPolarHBondContact O-CB 3.42Å; F49-L52 PolarHBondContact O-N 3.35Å; F49-V53 HydrophobicContact CD1-CG2 4.37Å; F49-V53 HydrophobicContact CE1-CG2 4.04Å; F49-V53 HydrophobicContact CZ-CG2 4.18Å; F49-V53 WeakPolarHBondContact O-CG2 3.46Å; F49-V53 PolarHBondContact O-N 3.08Å; F49-W160 HydrophobicContact CB-CZ2 4.46Å; F49-W160 HydrophobicContact CD2-CB 4.47Å; F49-W160 AromaticContact CD2-CD2 3.83Å; F49-W160 HydrophobicContact CD2-CD2 3.83Å; F49-W160 HydrophobicContact CD2-CE3 4.18Å; F49-W160 AromaticContact CD2-CG 3.97Å; F49-W160 HydrophobicContact CD2-CG 3.97Å; F49-W160 HydrophobicContact CE2-CB 4.27Å; F49-W160 HydrophobicContact CE2-CD2 4.49Å; F49-W160 HydrophobicContact CE2-CG 4.18Å
50	V	97.7	Very high	97.1	Very high	50 Å²	50	57.9 Å²	57.9	30%	0.303	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-41	177.3	174	0	0	0	0	111.5	F28 P46 V47 L52 V53 L54	F28-V50 HydrophobicContact CE2-CG2 3.97Å; F28-V50 HydrophobicContact CZ-CG2 3.84Å; P46-V50 WeakPolarHBondContact O-CG2 3.41Å; P46-V50 PolarHBondContact O-N 2.99Å; V47-V50 PolarHBondContact O-N 3.32Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 3.29Å; V50-V53 PolarHBondContact O-N 3.39Å; V50-L54 WeakPolarHBondContact O-CB 3.41Å; V50-L54 PolarHBondContact O-N 3.23Å
51	L	98.1	Very high	97.2	Very high	88 Å²	88	56.8 Å²	56.8	46%	0.461	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-41.9	174.3	-73.3	174	0	0	0	111.5	V47 L48 F49 L54 V55	V47-L51 HydrophobicContact CG1-CD1 3.78Å; V47-L51 HydrophobicContact CG1-CG 4.19Å; V47-L51 WeakPolarHBondContact O-CB 3.37Å; V47-L51 VanDerWaalsContact O-CG 3.23Å; V47-L51 WeakPolarHBondContact O-CG 3.43Å; V47-L51 PolarHBondContact O-N 3.03Å; L48-L51 PolarHBondContact O-N 3.41Å; F49-L51 PolarHBondContact O-N 2.93Å; L51-L54 PolarHBondContact O-N 2.79Å; L51-V55 VanDerWaalsContact O-CG2 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.29Å; L51-V55 PolarHBondContact O-N 3.31Å
52	L	98.1	Very high	97.4	Very high	33 Å²	33	56.1 Å²	56.1	17%	0.173	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-43.8	177.8	-166.5	73.7	0	0	0	111.6	L48 F49 V50 V55 S56 L153 L156 V157 W160	L48-L52 WeakPolarHBondContact O-CB 2.84Å; L48-L52 PolarHBondContact O-N 3.33Å; F49-L52 WeakPolarHBondContact O-CB 3.42Å; F49-L52 PolarHBondContact O-N 3.35Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 3.29Å; L52-V55 PolarHBondContact O-N 3.17Å; L52-S56 PolarHBondContact O-N 3.2Å; L52-L153 HydrophobicContact CD1-CD1 3.46Å; L52-L153 VanDerWaalsContact CD1-CD1 3.46Å; L52-L153 HydrophobicContact CG-CD1 4.04Å; L52-L156 HydrophobicContact CD1-CD2 4.18Å; L52-L156 HydrophobicContact CD2-CD2 4.05Å; L52-L156 HydrophobicContact CD2-CG 4.06Å; L52-V157 HydrophobicContact CB-CG2 4.46Å; L52-V157 HydrophobicContact CD2-CG2 3.69Å; L52-V157 HydrophobicContact CG-CG2 3.67Å; L52-W160 HydrophobicContact CD2-CE3 3.82Å; L52-W160 HydrophobicContact CD2-CZ3 4.15Å
53	V	98.3	Very high	97.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-45.5	173.8	171.7	0	0	0	0	110.8	T20 F49 V50 V55 S56 V57 V157	T20-V53 HydrophobicContact CG2-CG1 3.66Å; F49-V53 HydrophobicContact CD1-CG2 4.37Å; F49-V53 HydrophobicContact CE1-CG2 4.04Å; F49-V53 HydrophobicContact CZ-CG2 4.18Å; F49-V53 WeakPolarHBondContact O-CG2 3.46Å; F49-V53 PolarHBondContact O-N 3.08Å; V50-V53 PolarHBondContact O-N 3.39Å; V53-V55 PolarHBondContact O-N 3.39Å; V53-S56 WeakPolarHBondContact O-CB 3.39Å; V53-S56 PolarHBondContact O-N 3.03Å; V53-S56 VanDerWaalsContact O-N 3.17Å; V53-V57 WeakPolarHBondContact O-CG2 3.3Å; V53-V57 PolarHBondContact O-N 3.28Å; V53-V157 HydrophobicContact CG2-CG1 3.93Å
54	L	98.3	Very high	97.5	Very high	73 Å²	73	45.7 Å²	45.7	38%	0.382	25%	0.248	S	C	.	.	H	α-helix	trans	-59.9	-47.8	178.1	178.9	64.8	0	0	0	111.6	V50 L51 S56 V57 L58	V50-L54 WeakPolarHBondContact O-CB 3.41Å; V50-L54 PolarHBondContact O-N 3.23Å; L51-L54 PolarHBondContact O-N 2.79Å; L54-S56 VanDerWaalsContact C-N 3.27Å; L54-S56 PolarHBondContact O-N 2.89Å; L54-V57 PolarHBondContact O-N 3.45Å; L54-L58 HydrophobicContact CG-CD1 4.25Å; L54-L58 WeakPolarHBondContact O-CG 3.45Å; L54-L58 PolarHBondContact O-N 2.85Å
55	V	98.4	Very high	97.4	Very high	76 Å²	76	44.8 Å²	44.8	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-38.5	176.5	175.9	0	0	0	0	110.7	L51 L52 V53 L58 L59 L153	L51-V55 VanDerWaalsContact O-CG2 3.31Å; L51-V55 WeakPolarHBondContact O-CG2 3.29Å; L51-V55 PolarHBondContact O-N 3.31Å; L52-V55 PolarHBondContact O-N 3.17Å; V53-V55 PolarHBondContact O-N 3.39Å; V55-L58 PolarHBondContact O-N 2.87Å; V55-L59 WeakPolarHBondContact O-CB 3.37Å; V55-L59 PolarHBondContact O-N 2.99Å; V55-L153 HydrophobicContact CB-CD2 4.32Å; V55-L153 HydrophobicContact CG1-CD2 3.72Å
56	S	98.2	Very high	97.4	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-45.5	175.7	-159.8	0	0	0	0	112.2	L52 V53 L54 L59 Y60 Q154	L52-S56 PolarHBondContact O-N 3.2Å; V53-S56 WeakPolarHBondContact O-CB 3.39Å; V53-S56 PolarHBondContact O-N 3.03Å; V53-S56 VanDerWaalsContact O-N 3.17Å; L54-S56 VanDerWaalsContact C-N 3.27Å; L54-S56 PolarHBondContact O-N 2.89Å; S56-L59 PolarHBondContact O-N 3.48Å; S56-Y60 WeakPolarHBondContact O-CB 3.46Å; S56-Y60 PolarHBondContact O-N 2.9Å; S56-Q154 PolarHBondContact OG-OE1 3.36Å
57	V	98.1	Very high	97.4	Very high	12 Å²	12	45.8 Å²	45.8	7%	0.073	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-42.5	176.7	173	0	0	0	0	111.4	V17 T20 V53 L54 L59 Y60 F61	V17-V57 HydrophobicContact CG2-CG1 4.23Å; T20-V57 HydrophobicContact CG2-CG2 4.07Å; V53-V57 WeakPolarHBondContact O-CG2 3.3Å; V53-V57 PolarHBondContact O-N 3.28Å; L54-V57 PolarHBondContact O-N 3.45Å; V57-L59 VanDerWaalsContact C-N 3.31Å; V57-L59 PolarHBondContact O-N 3.48Å; V57-Y60 WeakPolarHBondContact O-CB 3.49Å; V57-Y60 PolarHBondContact O-N 3.02Å; V57-F61 HydrophobicContact CG1-CD2 3.91Å; V57-F61 HydrophobicContact CG1-CE2 3.82Å; V57-F61 VanDerWaalsContact O-CD2 3.27Å; V57-F61 WeakPolarHBondContact O-CD2 3.24Å; V57-F61 PolarHBondContact O-N 3.39Å
58	L	97.8	Very high	97.3	Very high	108 Å²	108	42.2 Å²	42.2	57%	0.565	23%	0.229	S	C	*	.	H	α-helix	trans	-61.5	-41.6	175.9	-70.2	173.7	0	0	0	111.6	L54 V55 F61 A62	L54-L58 HydrophobicContact CG-CD1 4.25Å; L54-L58 WeakPolarHBondContact O-CG 3.45Å; L54-L58 PolarHBondContact O-N 2.85Å; V55-L58 PolarHBondContact O-N 2.87Å; L58-F61 PolarHBondContact O-N 3.49Å; L58-A62 WeakPolarHBondContact O-CB 3.42Å; L58-A62 PolarHBondContact O-N 3.23Å
59	L	97.7	Very high	97.2	Very high	17 Å²	17	38.3 Å²	38.3	9%	0.089	21%	0.208	C	C	.	.	H	α-helix	trans	-71.1	-35.3	179.1	-168.8	59.5	0	0	0	112.1	V55 S56 V57 F61 A62 V63 W146 L149 L153	V55-L59 WeakPolarHBondContact O-CB 3.37Å; V55-L59 PolarHBondContact O-N 2.99Å; S56-L59 PolarHBondContact O-N 3.48Å; V57-L59 VanDerWaalsContact C-N 3.31Å; V57-L59 PolarHBondContact O-N 3.48Å; L59-F61 VanDerWaalsContact C-N 3.35Å; L59-A62 HydrophobicContact CD1-CB 4.42Å; L59-A62 WeakPolarHBondContact O-CB 3.31Å; L59-A62 PolarHBondContact O-N 3Å; L59-V63 WeakPolarHBondContact O-CG2 3.5Å; L59-V63 PolarHBondContact O-N 2.95Å; L59-W146 HydrophobicContact CD1-CE3 3.92Å; L59-L149 HydrophobicContact CD2-CB 4.29Å; L59-L149 HydrophobicContact CD2-CD2 4.1Å; L59-L149 HydrophobicContact CD2-CG 3.84Å; L59-L153 HydrophobicContact CD2-CD2 4.09Å
60	Y	98	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.5	-47.7	168.6	170.2	-99	0	0	0	111.5	R13 H16 S56 V57 V63 S64 W134 I135 Y150	R13-Y60 WeakPolarHBondContact CA-OH 3.23Å; R13-Y60 HydrophobicContact CB-CE1 4.11Å; R13-Y60 HydrophobicContact CG-CE1 3.83Å; R13-Y60 WeakPolarHBondContact CG-OH 3.38Å; H16-Y60 HydrophobicContact CB-CE1 4.26Å; H16-Y60 HydrophobicContact CB-CE2 4.47Å; H16-Y60 AromaticContact CD2-CD1 3.56Å; H16-Y60 AromaticContact CD2-CD2 3.77Å; H16-Y60 AromaticContact CD2-CE1 3.68Å; H16-Y60 AromaticContact CD2-CE2 3.89Å; H16-Y60 AromaticContact CD2-CG 3.6Å; H16-Y60 AromaticContact CD2-CZ 3.86Å; H16-Y60 AromaticContact CG-CE2 3.99Å; H16-Y60 AromaticContact CG-CZ 3.93Å; H16-Y60 AromaticContact NE2-CD2 3.73Å; H16-Y60 AromaticContact NE2-CG 3.66Å; S56-Y60 WeakPolarHBondContact O-CB 3.46Å; S56-Y60 PolarHBondContact O-N 2.9Å; V57-Y60 WeakPolarHBondContact O-CB 3.49Å; V57-Y60 PolarHBondContact O-N 3.02Å; Y60-V63 PolarHBondContact O-N 3.49Å; Y60-S64 VanDerWaalsContact O-CB 3.22Å; Y60-S64 WeakPolarHBondContact O-CB 3.37Å; Y60-S64 PolarHBondContact O-N 3.1Å; Y60-S64 PolarHBondContact O-OG 3.44Å; Y60-W134 WeakPolarHBondContact CE2-O 3.5Å; Y60-W134 PolarHBondContact OH-O 3.3Å; Y60-W134 VanDerWaalsContact OH-O 3.07Å; Y60-I135 HydrophobicContact CD2-CG2 4.12Å; Y60-I135 HydrophobicContact CE2-CG2 3.87Å; Y60-Y150 HydrophobicContact CD2-CE2 4.13Å; Y60-Y150 AromaticContact CD2-CZ 3.83Å; Y60-Y150 HydrophobicContact CG-CE2 4.48Å
61	F	97.3	Very high	96.8	Very high	76 Å²	76	38.2 Å²	38.2	33%	0.333	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-41.9	175.7	-83.3	-69.8	0	0	0	112.2	R13 V17 V57 L58 L59 V63 S64 L65	R13-F61 HydrophobicContact CB-CE1 4.31Å; V17-F61 HydrophobicContact CG2-CE2 3.59Å; V17-F61 HydrophobicContact CG2-CZ 3.72Å; V57-F61 HydrophobicContact CG1-CD2 3.91Å; V57-F61 HydrophobicContact CG1-CE2 3.82Å; V57-F61 VanDerWaalsContact O-CD2 3.27Å; V57-F61 WeakPolarHBondContact O-CD2 3.24Å; V57-F61 PolarHBondContact O-N 3.39Å; L58-F61 PolarHBondContact O-N 3.49Å; L59-F61 VanDerWaalsContact C-N 3.35Å; F61-V63 PolarHBondContact O-N 3.02Å; F61-S64 WeakPolarHBondContact CA-OG 3.18Å; F61-S64 PolarHBondContact O-N 3.46Å; F61-S64 PolarHBondContact O-OG 2.89Å; F61-L65 HydrophobicContact CD1-CD1 4.08Å; F61-L65 VanDerWaalsContact O-CB 3.31Å; F61-L65 WeakPolarHBondContact O-CB 3.37Å; F61-L65 WeakPolarHBondContact O-CG 3.37Å; F61-L65 PolarHBondContact O-N 2.89Å
62	A	96.6	Very high	96.1	Very high	39 Å²	39	38.7 Å²	38.7	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-56.3	-50	175.8	0	0	0	0	0	110.9	L58 L59 M66	L58-A62 WeakPolarHBondContact O-CB 3.42Å; L58-A62 PolarHBondContact O-N 3.23Å; L59-A62 HydrophobicContact CD1-CB 4.42Å; L59-A62 WeakPolarHBondContact O-CB 3.31Å; L59-A62 PolarHBondContact O-N 3Å; A62-M66 WeakPolarHBondContact O-CB 3.4Å; A62-M66 PolarHBondContact O-N 2.79Å
63	V	97.2	Very high	94.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.7	-36.5	-177.7	179.8	0	0	0	0	112.7	L59 Y60 F61 L65 I135 N137 W146 F147	L59-V63 WeakPolarHBondContact O-CG2 3.5Å; L59-V63 PolarHBondContact O-N 2.95Å; Y60-V63 PolarHBondContact O-N 3.49Å; F61-V63 PolarHBondContact O-N 3.02Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 PolarHBondContact O-N 3.43Å; V63-I135 HydrophobicContact CG1-CD1 3.76Å; V63-N137 PolarHBondContact O-ND2 2.96Å; V63-N137 VanDerWaalsContact O-ND2 3.15Å; V63-W146 VanDerWaalsContact CG2-C 3.5Å; V63-W146 HydrophobicContact CG2-CB 3.69Å; V63-F147 HydrophobicContact CG1-CB 3.88Å; V63-F147 HydrophobicContact CG1-CD2 3.91Å; V63-F147 HydrophobicContact CG1-CG 4.4Å
64	S	96.3	Very high	93.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-73.7	-20.6	-179.8	66.1	0	0	0	0	114.3	R13 Y60 F61 I135 N137	R13-S64 PolarHBondContact NH2-O 2.76Å; Y60-S64 VanDerWaalsContact O-CB 3.22Å; Y60-S64 WeakPolarHBondContact O-CB 3.37Å; Y60-S64 PolarHBondContact O-N 3.1Å; Y60-S64 PolarHBondContact O-OG 3.44Å; F61-S64 WeakPolarHBondContact CA-OG 3.18Å; F61-S64 PolarHBondContact O-N 3.46Å; F61-S64 PolarHBondContact O-OG 2.89Å; S64-I135 WeakPolarHBondContact CB-O 3.3Å; S64-N137 PolarHBondContact O-ND2 3.12Å
65	L	95.2	Very high	91.4	Very high	111 Å²	111	48.2 Å²	48.2	58%	0.581	26%	0.256	S	S	*	.	H	α-helix	trans	-110.5	-16.4	-179.8	-59.8	175.9	0	0	0	113.5	F61 V63	F61-L65 HydrophobicContact CD1-CD1 4.08Å; F61-L65 VanDerWaalsContact O-CB 3.31Å; F61-L65 WeakPolarHBondContact O-CB 3.37Å; F61-L65 WeakPolarHBondContact O-CG 3.37Å; F61-L65 PolarHBondContact O-N 2.89Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 PolarHBondContact O-N 3.43Å
66	M	95.1	Very high	89.5	Confident	57 Å²	57	45.7 Å²	45.7	28%	0.281	24%	0.242	S	C	.	.	S	Bend	trans	-67.4	137.7	179.1	179.6	176.9	-63	0	0	111.6	A62 P68 N137 N143 W146	A62-M66 WeakPolarHBondContact O-CB 3.4Å; A62-M66 PolarHBondContact O-N 2.79Å; M66-P68 WeakPolarHBondContact O-CD 3.28Å; M66-N137 PolarHBondContact O-ND2 3.23Å; M66-N143 HydrophobicContact CB-CB 4.27Å; M66-N143 HydrophobicContact CG-CB 3.93Å; M66-N143 HydrophobicContact SD-CB 3.55Å; M66-N143 VanDerWaalsContact SD-CB 3.55Å; M66-W146 HydrophobicContact CE-CG 4.16Å; M66-W146 HydrophobicContact SD-CG 4.38Å
67	D	96.1	Very high	87.7	Confident	58 Å²	58	50.2 Å²	50.2	31%	0.31	27%	0.266	S	S	.	.			trans	-59.9	118.8	168.7	169.1	30.6	0	0	0	109.5	G69 F70 R142	D67-G69 PolarHBondContact O-N 2.98Å; D67-G69 PolarHBondContact OD1-N 3.11Å; D67-F70 WeakPolarHBondContact OD1-CD2 3.38Å; D67-F70 PolarHBondContact OD1-N 2.91Å; D67-R142 VanDerWaalsContact O-CB 3.27Å; D67-R142 WeakPolarHBondContact O-CB 3.31Å; D67-R142 IonicContact OD2-CZ 3.45Å; D67-R142 IonicContact OD2-NH1 3.77Å; D67-R142 PolarHBondContact OD2-NH1 3.5Å
68	P	96.3	Very high	86	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.288	C	S	.	.			trans	-69.6	-9.7	178.7	29.8	-36.1	0	0	0	113.3	M66 F70 V125 C138 G140 E141 R142	M66-P68 WeakPolarHBondContact O-CD 3.28Å; P68-F70 HydrophobicContact CG-CD1 4.07Å; P68-F70 HydrophobicContact CG-CD2 4.25Å; P68-F70 HydrophobicContact CG-CE1 3.66Å; P68-F70 HydrophobicContact CG-CE2 3.88Å; P68-F70 HydrophobicContact CG-CG 4.34Å; P68-F70 HydrophobicContact CG-CZ 3.55Å; P68-V125 HydrophobicContact CB-CG1 3.89Å; P68-V125 HydrophobicContact CG-CG1 4.04Å; P68-C138 HydrophobicContact CB-CB 4.01Å; P68-C138 WeakPolarHBondContact CB-O 3.46Å; P68-C138 HydrophobicContact CG-CB 3.78Å; P68-G140 CarbonylContact O-C 3.59Å; P68-G140 WeakPolarHBondContact O-CA 3.23Å; P68-E141 PolarHBondContact O-N 2.99Å; P68-E141 VanDerWaalsContact O-N 3.08Å; P68-R142 PolarHBondContact O-N 3.45Å
69	G	95.6	Very high	84.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.			trans	108.3	48.5	-171.7	0	0	0	0	0	110.9	D67 R126	D67-G69 PolarHBondContact O-N 2.98Å; D67-G69 PolarHBondContact OD1-N 3.11Å; G69-R126 PolarHBondContact O-N 2.72Å
70	F	94.1	Very high	82.4	Confident	45 Å²	45	60.1 Å²	60.1	20%	0.197	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-58.3	139.6	170.5	-65.2	-51.7	0	0	0	110.4	D67 P68 C121 H123 C124 V125	D67-F70 WeakPolarHBondContact OD1-CD2 3.38Å; D67-F70 PolarHBondContact OD1-N 2.91Å; P68-F70 HydrophobicContact CG-CD1 4.07Å; P68-F70 HydrophobicContact CG-CD2 4.25Å; P68-F70 HydrophobicContact CG-CE1 3.66Å; P68-F70 HydrophobicContact CG-CE2 3.88Å; P68-F70 HydrophobicContact CG-CG 4.34Å; P68-F70 HydrophobicContact CG-CZ 3.55Å; F70-C121 HydrophobicContact CE1-CB 3.87Å; F70-C121 HydrophobicContact CZ-CB 4.08Å; F70-H123 HydrophobicContact CB-CB 4.38Å; F70-H123 HydrophobicContact CD1-CB 3.4Å; F70-H123 HydrophobicContact CE1-CB 3.89Å; F70-H123 HydrophobicContact CG-CB 4.06Å; F70-C124 WeakPolarHBondContact CA-O 3.33Å; F70-V125 HydrophobicContact CD1-CG2 3.8Å; F70-V125 HydrophobicContact CE1-CG2 3.78Å
71	I	91.2	Very high	80.4	Confident	6 Å²	6	64.5 Å²	64.5	3%	0.031	34%	0.336	C	S	.	.			trans	-93	113.4	175.1	-57	171.1	0	0	0	107	L109 P112 C124 R126	I71-L109 HydrophobicContact CB-CD2 4.31Å; I71-L109 HydrophobicContact CG2-CD2 3.81Å; I71-P112 VanDerWaalsContact CD1-CD 3.48Å; I71-P112 HydrophobicContact CD1-CG 3.75Å; I71-C124 HydrophobicContact CB-CB 4.34Å; I71-C124 HydrophobicContact CD1-CB 4.08Å; I71-C124 PolarHBondContact N-O 3.11Å; I71-R126 HydrophobicContact CD1-CG 3.85Å; I71-R126 HydrophobicContact CG1-CG 3.56Å
72	L	84.1	Confident	78.6	Confident	97 Å²	97	67.6 Å²	67.6	51%	0.508	36%	0.356	S	S	.	.			trans	-83.8	151.4	172.9	-57	178.7	0	0	0	109.4	E74 D75	L72-E74 PolarHBondContact O-N 3.23Å; L72-D75 WeakPolarHBondContact O-CB 3.35Å; L72-D75 PolarHBondContact O-N 3.25Å
73	T	69.2	Low	76.5	Confident	89 Å²	89	68.3 Å²	68.3	55%	0.546	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-36.5	-177.5	-45.6	0	0	0	0	111.9	D75 S76 D77	T73-D75 PolarHBondContact O-N 2.92Å; T73-S76 WeakPolarHBondContact O-CB 3.47Å; T73-S76 PolarHBondContact O-N 3.1Å; T73-S76 PolarHBondContact O-OG 3.27Å; T73-D77 PolarHBondContact O-N 3.2Å
74	E	65.5	Low	74.4	Confident	159 Å²	159	70.4 Å²	70.4	74%	0.743	38%	0.379	S	S	*	.	H	α-helix	trans	-62.8	-38.5	178.3	-61.3	177.1	170.8	0	0	113	L72 S76 D77 L78	L72-E74 PolarHBondContact O-N 3.23Å; E74-S76 PolarHBondContact O-N 3.1Å; E74-D77 PolarHBondContact O-N 3.49Å; E74-L78 PolarHBondContact O-N 2.81Å; E74-L78 VanDerWaalsContact O-N 3.12Å
75	D	61.4	Low	72	Confident	59 Å²	59	75.5 Å²	75.5	32%	0.316	41%	0.411	S	S	.	.	H	α-helix	trans	-61.7	-31.9	174	-85.6	2	0	0	0	111.4	L72 T73 Q79 R126	L72-D75 WeakPolarHBondContact O-CB 3.35Å; L72-D75 PolarHBondContact O-N 3.25Å; T73-D75 PolarHBondContact O-N 2.92Å; D75-Q79 WeakPolarHBondContact O-CB 3.44Å; D75-Q79 PolarHBondContact O-N 3.43Å; D75-R126 IonicContact OD2-CZ 3.38Å; D75-R126 IonicContact OD2-NH1 2.83Å; D75-R126 PolarHBondContact OD2-NH1 3.39Å; D75-R126 VanDerWaalsContact OD2-NH1 3.13Å; D75-R126 IonicContact OD2-NH2 3.48Å; D75-R126 PolarHBondContact OD2-NH2 2.96Å
76	S	59.4	Low	70	Confident	24 Å²	24	75.9 Å²	75.9	17%	0.168	41%	0.409	C	S	.	.	H	α-helix	trans	-77	-36.5	-178.9	74.5	0	0	0	0	112.5	T73 E74 L78 Q79 F80	T73-S76 WeakPolarHBondContact O-CB 3.47Å; T73-S76 PolarHBondContact O-N 3.1Å; T73-S76 PolarHBondContact O-OG 3.27Å; E74-S76 PolarHBondContact O-N 3.1Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-Q79 PolarHBondContact O-N 3.48Å; S76-F80 VanDerWaalsContact O-CB 3.28Å; S76-F80 WeakPolarHBondContact O-CB 3.49Å; S76-F80 PolarHBondContact O-N 3.18Å
77	D	60.6	Low	67.8	Low	97 Å²	97	82.7 Å²	82.7	52%	0.519	44%	0.44	S	S	.	.	H	α-helix	trans	-68.9	-35.1	175.3	-65.8	-27.8	0	0	0	111	T73 E74 T81	T73-D77 PolarHBondContact O-N 3.2Å; E74-D77 PolarHBondContact O-N 3.49Å; D77-T81 WeakPolarHBondContact O-CB 3.33Å; D77-T81 WeakPolarHBondContact O-CG2 3.42Å; D77-T81 PolarHBondContact O-N 3.42Å; D77-T81 PolarHBondContact O-OG1 3.48Å
78	L	61.9	Low	65.5	Low	102 Å²	102	87 Å²	87	53%	0.534	46%	0.459	S	S	.	.	H	α-helix	trans	-70	-40.7	173.9	-163.5	72.3	0	0	0	112.1	E74 S76 F80 T81 L82	E74-L78 PolarHBondContact O-N 2.81Å; E74-L78 VanDerWaalsContact O-N 3.12Å; S76-L78 VanDerWaalsContact C-N 3.33Å; L78-F80 VanDerWaalsContact C-N 3.32Å; L78-T81 VanDerWaalsContact CA-OG1 3.24Å; L78-T81 WeakPolarHBondContact CA-OG1 3.31Å; L78-T81 PolarHBondContact O-N 2.75Å; L78-T81 PolarHBondContact O-OG1 3.28Å; L78-T81 VanDerWaalsContact O-OG1 3.1Å; L78-L82 HydrophobicContact CD2-CD1 4.3Å; L78-L82 HydrophobicContact CG-CD1 3.91Å; L78-L82 HydrophobicContact CG-CG 4.37Å; L78-L82 VanDerWaalsContact O-CB 3.25Å; L78-L82 WeakPolarHBondContact O-CB 3.33Å; L78-L82 VanDerWaalsContact O-CG 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.36Å; L78-L82 PolarHBondContact O-N 2.89Å
79	Q	58.8	Low	63.2	Low	123 Å²	123	93 Å²	93	58%	0.575	49%	0.487	S	S	*	.	H	α-helix	trans	-69.6	-32.2	176	-167.9	120.3	61.4	0	0	111.9	D75 S76 G83	D75-Q79 WeakPolarHBondContact O-CB 3.44Å; D75-Q79 PolarHBondContact O-N 3.43Å; S76-Q79 PolarHBondContact O-N 3.48Å; Q79-G83 WeakPolarHBondContact O-CA 3.44Å; Q79-G83 PolarHBondContact O-N 3.46Å
80	F	60.4	Low	61	Low	120 Å²	120	100.6 Å²	100.6	53%	0.526	53%	0.527	S	S	.	.	H	α-helix	trans	-66.6	-50.1	170.7	-176.1	-101.8	0	0	0	110.7	S76 L78 L82 G83 V84	S76-F80 VanDerWaalsContact O-CB 3.28Å; S76-F80 WeakPolarHBondContact O-CB 3.49Å; S76-F80 PolarHBondContact O-N 3.18Å; L78-F80 VanDerWaalsContact C-N 3.32Å; F80-L82 PolarHBondContact O-N 3.48Å; F80-G83 CarbonylContact O-C 3.58Å; F80-G83 PolarHBondContact O-N 2.88Å; F80-V84 HydrophobicContact CD2-CG2 4.01Å; F80-V84 HydrophobicContact CE1-CG2 4.46Å; F80-V84 HydrophobicContact CE2-CG2 3.85Å; F80-V84 HydrophobicContact CG-CG2 4.38Å; F80-V84 HydrophobicContact CZ-CG2 4.08Å; F80-V84 WeakPolarHBondContact O-CB 3.39Å; F80-V84 WeakPolarHBondContact O-CG2 3.33Å; F80-V84 PolarHBondContact O-N 3.36Å
81	T	55.5	Low	59	Low	92 Å²	92	106.8 Å²	106.8	56%	0.564	56%	0.559	S	S	*	*	H	α-helix	trans	-66.1	-35.3	178.5	41.9	0	0	0	0	113.8	D77 L78	D77-T81 WeakPolarHBondContact O-CB 3.33Å; D77-T81 WeakPolarHBondContact O-CG2 3.42Å; D77-T81 PolarHBondContact O-N 3.42Å; D77-T81 PolarHBondContact O-OG1 3.48Å; L78-T81 VanDerWaalsContact CA-OG1 3.24Å; L78-T81 WeakPolarHBondContact CA-OG1 3.31Å; L78-T81 PolarHBondContact O-N 2.75Å; L78-T81 PolarHBondContact O-OG1 3.28Å; L78-T81 VanDerWaalsContact O-OG1 3.1Å
82	L	59.5	Low	57.1	Low	141 Å²	141	111.8 Å²	111.8	74%	0.738	59%	0.585	S	S	*	*	H	α-helix	trans	-78.3	-20.6	173.9	-68.1	172.5	0	0	0	113.2	L78 F80	L78-L82 HydrophobicContact CD2-CD1 4.3Å; L78-L82 HydrophobicContact CG-CD1 3.91Å; L78-L82 HydrophobicContact CG-CG 4.37Å; L78-L82 VanDerWaalsContact O-CB 3.25Å; L78-L82 WeakPolarHBondContact O-CB 3.33Å; L78-L82 VanDerWaalsContact O-CG 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.36Å; L78-L82 PolarHBondContact O-N 2.89Å; F80-L82 PolarHBondContact O-N 3.48Å
83	G	54.2	Low	55.4	Low	54 Å²	54	111.5 Å²	111.5	56%	0.557	59%	0.589	S	S	*	*	H	α-helix	trans	-95.9	-4.1	178.8	0	0	0	0	0	114.4	Q79 F80	Q79-G83 WeakPolarHBondContact O-CA 3.44Å; Q79-G83 PolarHBondContact O-N 3.46Å; F80-G83 CarbonylContact O-C 3.58Å; F80-G83 PolarHBondContact O-N 2.88Å
84	V	52.9	Low	54.5	Low	44 Å²	44	114 Å²	114	27%	0.267	61%	0.606	S	S	.	*			trans	-124.6	77.5	-176.6	174	0	0	0	0	109.2	F80 E86	F80-V84 HydrophobicContact CD2-CG2 4.01Å; F80-V84 HydrophobicContact CE1-CG2 4.46Å; F80-V84 HydrophobicContact CE2-CG2 3.85Å; F80-V84 HydrophobicContact CG-CG2 4.38Å; F80-V84 HydrophobicContact CZ-CG2 4.08Å; F80-V84 WeakPolarHBondContact O-CB 3.39Å; F80-V84 WeakPolarHBondContact O-CG2 3.33Å; F80-V84 PolarHBondContact O-N 3.36Å; V84-E86 HydrophobicContact CB-CG 4.08Å; V84-E86 HydrophobicContact CG1-CB 3.7Å; V84-E86 HydrophobicContact CG1-CG 3.5Å; V84-E86 WeakPolarHBondContact CG1-OE2 3.41Å; V84-E86 HydrophobicContact CG2-CG 3.87Å
85	T	46	Very low	53.7	Low	108 Å²	108	111.7 Å²	111.7	66%	0.663	61%	0.608	S	S	*	*				-91.1	71.3	127.7	46.6	0	0	0	0	106.4	E87 Q88	T85-E87 PolarHBondContact O-N 3.48Å; T85-Q88 PolarHBondContact O-N 2.9Å
86	E	51.8	Low	53.4	Low	119 Å²	119	113 Å²	113	56%	0.556	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-62.3	-14	175.3	-85	173	160.2	0	0	111.8	V84 Q88 Q89	V84-E86 HydrophobicContact CB-CG 4.08Å; V84-E86 HydrophobicContact CG1-CB 3.7Å; V84-E86 HydrophobicContact CG1-CG 3.5Å; V84-E86 WeakPolarHBondContact CG1-OE2 3.41Å; V84-E86 HydrophobicContact CG2-CG 3.87Å; E86-Q88 PolarHBondContact O-N 2.97Å; E86-Q89 PolarHBondContact O-N 3.22Å
87	E	48.3	Very low	53	Low	199 Å²	199	121.7 Å²	121.7	93%	0.93	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-71.8	-5.3	173.2	-69.2	-165.9	142	0	0	114.4	T85	T85-E87 PolarHBondContact O-N 3.48Å
88	Q	48.5	Very low	52.8	Low	150 Å²	150	122 Å²	122	70%	0.701	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-109.3	4.7	177.6	-144.9	165.6	-2.1	0	0	113.9	T85 E86	T85-Q88 PolarHBondContact O-N 2.9Å; E86-Q88 PolarHBondContact O-N 2.97Å
89	Q	48.4	Very low	53	Low	124 Å²	124	123.7 Å²	123.7	58%	0.579	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-85.8	-11.3	-176.8	-148.1	120.6	50.4	0	0	113.8	E86 M91	E86-Q89 PolarHBondContact O-N 3.22Å; Q89-M91 VanDerWaalsContact C-N 3.25Å; Q89-M91 PolarHBondContact O-N 2.74Å
90	D	48.9	Very low	53.4	Low	160 Å²	160	126.2 Å²	126.2	86%	0.856	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-78.6	2.9	180	-89.6	-9.4	0	0	0	114.9
91	M	51.5	Low	54.1	Low	176 Å²	176	124.3 Å²	124.3	87%	0.867	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-118.8	16.1	-177	-63.5	-64.7	-99.4	0	0	114.9	Q89	Q89-M91 VanDerWaalsContact C-N 3.25Å; Q89-M91 PolarHBondContact O-N 2.74Å
92	I	52.3	Low	55.5	Low	111 Å²	111	127.7 Å²	127.7	57%	0.569	68%	0.682	S	S	*	*	S	Bend	trans	-107.3	130.4	179.3	-54.8	177.9	0	0	0	110.4
93	P	49.2	Very low	56.8	Low	91 Å²	91	129.5 Å²	129.5	59%	0.591	68%	0.679	S	S	*	*			trans	-58.8	154.2	179	-17.3	28.1	0	0	0	112.4	S95	P93-S95 PolarHBondContact O-N 3.11Å
94	P	50.3	Low	58.5	Low	141 Å²	141	127.3 Å²	127.3	92%	0.916	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	37.6	-172	34.2	-36.7	0	0	0	113.5
95	S	48.4	Very low	60.3	Low	110 Å²	110	130.1 Å²	130.1	77%	0.769	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	1.9	-179.3	71.7	0	0	0	0	114.5	P93	P93-S95 PolarHBondContact O-N 3.11Å
96	S	54.6	Low	62.5	Low	88 Å²	88	131.1 Å²	131.1	62%	0.615	67%	0.668	S	S	*	*	S	Bend	trans	-107.4	110.2	168.2	87.1	0	0	0	0	109	S98	S96-S98 VanDerWaalsContact C-N 3.3Å; S96-S98 PolarHBondContact O-N 3.16Å
97	K	50.1	Low	64.2	Low	205 Å²	205	126.7 Å²	126.7	89%	0.891	65%	0.65	S	S	*	*			trans	-61.5	99.7	163.5	-73.7	179	178.8	177.3	0	106.1	L99	K97-L99 PolarHBondContact O-N 3.26Å
98	S	58	Low	66.2	Low	105 Å²	105	122.8 Å²	122.8	73%	0.734	64%	0.635	S	S	*	*			trans	-54	112.4	171.5	56.3	0	0	0	0	107.5	S96 H100	S96-S98 VanDerWaalsContact C-N 3.3Å; S96-S98 PolarHBondContact O-N 3.16Å; S98-H100 PolarHBondContact O-N 3.39Å
99	L	65.3	Low	67.9	Low	137 Å²	137	116 Å²	116	72%	0.717	60%	0.603	S	S	*	*			trans	-62.4	103.8	178.9	-75.9	164	0	0	0	107.7	K97 Q101 M113	K97-L99 PolarHBondContact O-N 3.26Å; L99-Q101 PolarHBondContact O-N 2.61Å; L99-M113 HydrophobicContact CD1-CE 4.3Å
100	H	66.3	Low	69.8	Low	176 Å²	176	115.1 Å²	115.1	82%	0.815	60%	0.599	S	S	*	*			trans	-63.6	106	-177.8	-168.9	-66.7	0	0	0	109.4	S98	S98-H100 PolarHBondContact O-N 3.39Å
101	Q	75.8	Confident	71.6	Confident	80 Å²	80	108.5 Å²	108.5	37%	0.374	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-67.8	141.4	175.7	-70.2	179.9	-8.6	0	0	109.5	L99	L99-Q101 PolarHBondContact O-N 2.61Å
102	R	84.6	Confident	73.3	Confident	163 Å²	163	101.6 Å²	101.6	62%	0.615	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-81.5	139.2	-178.6	-66.4	-176.2	-61.6	-165.7	-2.3	109.3	Q111	R102-Q111 WeakPolarHBondContact O-CA 3.27Å; R102-Q111 WeakPolarHBondContact O-CB 3.44Å; R102-Q111 WeakPolarHBondContact O-CG 3.44Å; R102-Q111 PolarHBondContact O-N 2.87Å
103	R	87.4	Confident	75	Confident	179 Å²	179	101.8 Å²	101.8	68%	0.675	53%	0.531	S	S	*	.	B	Isolated β-bridge	trans	-89.4	133.5	171.4	-166.6	175.1	-177.9	178	0.3	110.3	L108	R103-L108 PolarHBondContact NE-O 3.21Å; R103-L108 PolarHBondContact NH2-O 2.62Å
104	C	90.8	Very high	77	Confident	7 Å²	7	105.7 Å²	105.7	5%	0.047	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-82.2	120.4	170.8	-175.7	0	0	0	0	109.5	R106 C107 L108 L109 Q111 C124	C104-R106 VanDerWaalsContact C-N 3.27Å; C104-R106 PolarHBondContact O-N 3.16Å; C104-C107 HydrophobicContact CB-CB 4.29Å; C104-C107 PolarHBondContact SG-N 2.92Å; C104-C107 VanDerWaalsContact SG-N 3.41Å; C104-L108 WeakPolarHBondContact O-CA 3.45Å; C104-L108 PolarHBondContact O-N 3.37Å; C104-L109 HydrophobicContact CB-CD1 4.5Å; C104-L109 PolarHBondContact N-O 3.3Å; C104-Q111 HydrophobicContact CB-CG 3.8Å; C104-C124 VanDerWaalsContact SG-SG 3.61Å
105	S	90.5	Very high	79.1	Confident	103 Å²	103	99.1 Å²	99.1	72%	0.72	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.7	176.6	54.5	0	0	0	0	114	L108	S105-L108 VanDerWaalsContact O-CD2 3.3Å; S105-L108 WeakPolarHBondContact O-CD2 3.41Å
106	R	91.2	Very high	81.3	Confident	129 Å²	129	99.3 Å²	99.3	49%	0.487	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-44.9	-177	-64.1	-116.4	-83.2	-128.7	4.9	112.7	C104 H117	C104-R106 VanDerWaalsContact C-N 3.27Å; C104-R106 PolarHBondContact O-N 3.16Å; R106-H117 VanDerWaalsContact CB-CE1 3.5Å; R106-H117 WeakPolarHBondContact CB-CE1 3.21Å; R106-H117 PolarHBondContact NE-NE2 3.37Å; R106-H117 PolarHBondContact NH2-NE2 2.95Å
107	C	88.9	Confident	83.2	Confident	26 Å²	26	96.4 Å²	96.4	18%	0.176	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-5.7	176.9	-58.2	0	0	0	0	112.6	C104 L109 H117	C104-C107 HydrophobicContact CB-CB 4.29Å; C104-C107 PolarHBondContact SG-N 2.92Å; C104-C107 VanDerWaalsContact SG-N 3.41Å; C107-L109 HydrophobicContact CB-CD2 3.7Å; C107-L109 HydrophobicContact CB-CG 3.82Å; C107-L109 PolarHBondContact O-N 3.08Å; C107-H117 PolarHBondContact SG-ND1 2.84Å
108	L	88.6	Confident	85.4	Confident	117 Å²	117	86.8 Å²	86.8	61%	0.613	41%	0.414	S	S	*	.			trans	58.8	5.8	-178.8	-58.7	177	0	0	0	116.8	R103 C104 S105	R103-L108 PolarHBondContact NE-O 3.21Å; R103-L108 PolarHBondContact NH2-O 2.62Å; C104-L108 WeakPolarHBondContact O-CA 3.45Å; C104-L108 PolarHBondContact O-N 3.37Å; S105-L108 VanDerWaalsContact O-CD2 3.3Å; S105-L108 WeakPolarHBondContact O-CD2 3.41Å
109	L	85.9	Confident	87.2	Confident	7 Å²	7	88.7 Å²	88.7	4%	0.037	41%	0.411	C	S	.	.	S	Bend	trans	-93.2	158.6	179.1	62.7	84.3	0	0	0	114.1	I71 C104 C107 Q111 C124	I71-L109 HydrophobicContact CB-CD2 4.31Å; I71-L109 HydrophobicContact CG2-CD2 3.81Å; C104-L109 HydrophobicContact CB-CD1 4.5Å; C104-L109 PolarHBondContact N-O 3.3Å; C107-L109 HydrophobicContact CB-CD2 3.7Å; C107-L109 HydrophobicContact CB-CG 3.82Å; C107-L109 PolarHBondContact O-N 3.08Å; L109-Q111 HydrophobicContact CD1-CG 4.17Å; L109-C124 HydrophobicContact CD1-CB 4.42Å
110	Q	86.8	Confident	88.5	Confident	107 Å²	107	86.7 Å²	86.7	50%	0.5	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-74.2	122.5	164.3	-71.4	-131.5	-3.4	0	0	109.7	P112	Q110-P112 VanDerWaalsContact O-CD 3.27Å; Q110-P112 WeakPolarHBondContact O-CD 3.32Å
111	Q	86.9	Confident	89.7	Confident	20 Å²	20	79.7 Å²	79.7	9%	0.093	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-74.4	119	-177.6	-68.5	-172.7	-52.3	0	0	110.1	R102 C104 L109 S115 C124	R102-Q111 WeakPolarHBondContact O-CA 3.27Å; R102-Q111 WeakPolarHBondContact O-CB 3.44Å; R102-Q111 WeakPolarHBondContact O-CG 3.44Å; R102-Q111 PolarHBondContact O-N 2.87Å; C104-Q111 HydrophobicContact CB-CG 3.8Å; L109-Q111 HydrophobicContact CD1-CG 4.17Å; Q111-S115 VanDerWaalsContact CB-OG 3.32Å; Q111-S115 WeakPolarHBondContact CB-OG 3.39Å; Q111-C124 PolarHBondContact NE2-SG 3.43Å
112	P	88	Confident	90.6	Very high	31 Å²	31	80.7 Å²	80.7	20%	0.201	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-56	156.6	169.3	-23.7	34.3	0	0	0	110.9	I71 Q110 R114 S115	I71-P112 VanDerWaalsContact CD1-CD 3.48Å; I71-P112 HydrophobicContact CD1-CG 3.75Å; Q110-P112 VanDerWaalsContact O-CD 3.27Å; Q110-P112 WeakPolarHBondContact O-CD 3.32Å; P112-R114 PolarHBondContact O-N 3.49Å; P112-S115 WeakPolarHBondContact CD-OG 3.47Å; P112-S115 WeakPolarHBondContact O-CB 3.33Å; P112-S115 PolarHBondContact O-N 3.36Å; P112-S115 PolarHBondContact O-OG 2.96Å
113	M	88.2	Confident	91	Very high	115 Å²	115	76.8 Å²	76.8	57%	0.567	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	137.2	176.7	-66.5	-62.3	-77.4	0	0	110.9	L99 S115	L99-M113 HydrophobicContact CD1-CE 4.3Å; M113-S115 PolarHBondContact O-N 2.89Å
114	R	91.4	Very high	91.4	Very high	173 Å²	173	68.2 Å²	68.2	65%	0.653	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	10	-178.4	-47.2	176.1	64.7	179.7	4.8	115.7	P112 R127 Y128	P112-R114 PolarHBondContact O-N 3.49Å; R114-R127 CarbonylContact O-C 3.55Å; R114-R127 VanDerWaalsContact O-CA 3.23Å; R114-R127 WeakPolarHBondContact O-CA 3.33Å; R114-R127 PolarHBondContact O-N 3.17Å; R114-Y128 PolarHBondContact O-N 2.84Å; R114-Y128 VanDerWaalsContact O-N 3.15Å
115	S	93.3	Very high	91.6	Very high	3 Å²	3	67.9 Å²	67.9	2%	0.021	33%	0.334	C	S	.	.			trans	-88.4	156.7	171.4	72	0	0	0	0	112.5	Q111 P112 M113 V125	Q111-S115 VanDerWaalsContact CB-OG 3.32Å; Q111-S115 WeakPolarHBondContact CB-OG 3.39Å; P112-S115 WeakPolarHBondContact CD-OG 3.47Å; P112-S115 WeakPolarHBondContact O-CB 3.33Å; P112-S115 PolarHBondContact O-N 3.36Å; P112-S115 PolarHBondContact O-OG 2.96Å; M113-S115 PolarHBondContact O-N 2.89Å; S115-V125 VanDerWaalsContact CA-O 3.23Å; S115-V125 WeakPolarHBondContact CA-O 3.5Å; S115-V125 VanDerWaalsContact CB-O 3.26Å; S115-V125 WeakPolarHBondContact CB-O 3.4Å
116	K	94.5	Very high	91.9	Very high	114 Å²	114	65 Å²	65	50%	0.496	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.3	176.1	-170.5	-178.6	175.9	-177.2	0	110.3	C124 V125 Y128	K116-C124 WeakPolarHBondContact O-CA 3.22Å; K116-V125 PolarHBondContact N-O 3.24Å; K116-V125 PolarHBondContact O-N 3.5Å; K116-Y128 HydrophobicContact CB-CD1 3.83Å; K116-Y128 HydrophobicContact CB-CD2 4.46Å; K116-Y128 HydrophobicContact CB-CG 3.75Å; K116-Y128 HydrophobicContact CD-CD1 3.73Å; K116-Y128 HydrophobicContact CD-CE1 3.79Å; K116-Y128 HydrophobicContact CD-CG 4.45Å; K116-Y128 HydrophobicContact CG-CD1 4.31Å
117	H	95.6	Very high	92.1	Very high	27 Å²	27	64.1 Å²	64.1	13%	0.125	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.2	171.2	-176.7	89.7	0	0	0	110.2	R106 C107 Q122	R106-H117 VanDerWaalsContact CB-CE1 3.5Å; R106-H117 WeakPolarHBondContact CB-CE1 3.21Å; R106-H117 PolarHBondContact NE-NE2 3.37Å; R106-H117 PolarHBondContact NH2-NE2 2.95Å; C107-H117 PolarHBondContact SG-ND1 2.84Å; H117-Q122 PolarHBondContact CE1-O 3.33Å
118	C	96.2	Very high	92.5	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.02	31%	0.305	C	S	.	.			trans	-86.1	123	170.3	-179.5	0	0	0	0	109.6	T120 C121 Q122 H123 V125 Y128 C138	C118-T120 VanDerWaalsContact C-N 3.3Å; C118-T120 PolarHBondContact O-N 3.29Å; C118-T120 PolarHBondContact SG-N 2.85Å; C118-T120 VanDerWaalsContact SG-N 3.43Å; C118-C121 HydrophobicContact CB-CB 4.07Å; C118-C121 PolarHBondContact SG-N 3.05Å; C118-C121 VanDerWaalsContact SG-N 3.37Å; C118-Q122 WeakPolarHBondContact O-CA 3.5Å; C118-Q122 PolarHBondContact O-N 3.12Å; C118-H123 PolarHBondContact N-O 3.44Å; C118-V125 HydrophobicContact CB-CG2 4.44Å; C118-Y128 HydrophobicContact CB-CE2 3.93Å; C118-C138 PolarHBondContact SG-SG 3.23Å
119	Q	94.9	Very high	92.9	Very high	145 Å²	145	63.6 Å²	63.6	68%	0.678	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.9	177.8	-60.9	-174.6	-7.4	0	0	112.9	Q122	Q119-Q122 PolarHBondContact O-NE2 3.08Å
120	T	92.8	Very high	93.5	Very high	96 Å²	96	66 Å²	66	59%	0.589	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-49.7	178.5	-46	0	0	0	0	111	C118 Q122 H131	C118-T120 VanDerWaalsContact C-N 3.3Å; C118-T120 PolarHBondContact O-N 3.29Å; C118-T120 PolarHBondContact SG-N 2.85Å; C118-T120 VanDerWaalsContact SG-N 3.43Å; T120-Q122 VanDerWaalsContact C-N 3.31Å; T120-Q122 PolarHBondContact O-N 3.21Å; T120-H131 WeakPolarHBondContact CG2-NE2 3.31Å
121	C	92.3	Very high	94	Very high	28 Å²	28	62.5 Å²	62.5	19%	0.189	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.7	179.1	-59.7	0	0	0	0	113.5	F70 C118 H123 H131	F70-C121 HydrophobicContact CE1-CB 3.87Å; F70-C121 HydrophobicContact CZ-CB 4.08Å; C118-C121 HydrophobicContact CB-CB 4.07Å; C118-C121 PolarHBondContact SG-N 3.05Å; C118-C121 VanDerWaalsContact SG-N 3.37Å; C121-H123 PolarHBondContact O-CD2 2.89Å; C121-H123 PolarHBondContact O-N 3.05Å; C121-H123 VanDerWaalsContact O-N 3.16Å; C121-H131 VanDerWaalsContact SG-CE1 3.54Å; C121-H131 PolarHBondContact SG-ND1 3.19Å
122	Q	94.2	Very high	94.5	Very high	102 Å²	102	61.8 Å²	61.8	48%	0.477	29%	0.288	S	S	.	.			trans	59.7	20	-176.9	-61.2	-69.1	-26.6	0	0	115	H117 C118 Q119 T120	H117-Q122 PolarHBondContact CE1-O 3.33Å; C118-Q122 WeakPolarHBondContact O-CA 3.5Å; C118-Q122 PolarHBondContact O-N 3.12Å; Q119-Q122 PolarHBondContact O-NE2 3.08Å; T120-Q122 VanDerWaalsContact C-N 3.31Å; T120-Q122 PolarHBondContact O-N 3.21Å
123	H	92.9	Very high	94.8	Very high	80 Å²	80	63.7 Å²	63.7	37%	0.37	30%	0.301	S	S	.	.	S	Bend	trans	-125.1	152.4	177.1	-69.5	-77	0	0	0	111.5	F70 C118 C121	F70-H123 HydrophobicContact CB-CB 4.38Å; F70-H123 HydrophobicContact CD1-CB 3.4Å; F70-H123 HydrophobicContact CE1-CB 3.89Å; F70-H123 HydrophobicContact CG-CB 4.06Å; C118-H123 PolarHBondContact N-O 3.44Å; C121-H123 PolarHBondContact O-CD2 2.89Å; C121-H123 PolarHBondContact O-N 3.05Å; C121-H123 VanDerWaalsContact O-N 3.16Å
124	C	94.9	Very high	95.1	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.1	162.7	-76.7	0	0	0	0	109.9	F70 I71 C104 L109 Q111 K116	F70-C124 WeakPolarHBondContact CA-O 3.33Å; I71-C124 HydrophobicContact CB-CB 4.34Å; I71-C124 HydrophobicContact CD1-CB 4.08Å; I71-C124 PolarHBondContact N-O 3.11Å; C104-C124 VanDerWaalsContact SG-SG 3.61Å; L109-C124 HydrophobicContact CD1-CB 4.42Å; Q111-C124 PolarHBondContact NE2-SG 3.43Å; K116-C124 WeakPolarHBondContact O-CA 3.22Å
125	V	96.1	Very high	95.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.1	-178.5	-169.6	0	0	0	0	109	P68 F70 S115 K116 C118 Y128 C138	P68-V125 HydrophobicContact CB-CG1 3.89Å; P68-V125 HydrophobicContact CG-CG1 4.04Å; F70-V125 HydrophobicContact CD1-CG2 3.8Å; F70-V125 HydrophobicContact CE1-CG2 3.78Å; S115-V125 VanDerWaalsContact CA-O 3.23Å; S115-V125 WeakPolarHBondContact CA-O 3.5Å; S115-V125 VanDerWaalsContact CB-O 3.26Å; S115-V125 WeakPolarHBondContact CB-O 3.4Å; K116-V125 PolarHBondContact N-O 3.24Å; K116-V125 PolarHBondContact O-N 3.5Å; C118-V125 HydrophobicContact CB-CG2 4.44Å; V125-Y128 HydrophobicContact CB-CD2 3.95Å; V125-Y128 HydrophobicContact CG2-CD2 4.04Å; V125-C138 HydrophobicContact CG1-CB 4.48Å; V125-C138 HydrophobicContact CG2-CB 4.06Å
126	R	95.4	Very high	95.3	Very high	41 Å²	41	61.4 Å²	61.4	16%	0.155	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	139.4	173.3	-65.7	-174.6	172.9	104.2	-7.9	110.4	G69 I71 D75 Y128 E141	G69-R126 PolarHBondContact O-N 2.72Å; I71-R126 HydrophobicContact CD1-CG 3.85Å; I71-R126 HydrophobicContact CG1-CG 3.56Å; D75-R126 IonicContact OD2-CZ 3.38Å; D75-R126 IonicContact OD2-NH1 2.83Å; D75-R126 PolarHBondContact OD2-NH1 3.39Å; D75-R126 VanDerWaalsContact OD2-NH1 3.13Å; D75-R126 IonicContact OD2-NH2 3.48Å; D75-R126 PolarHBondContact OD2-NH2 2.96Å; R126-Y128 PolarHBondContact O-N 2.92Å; R126-Y128 VanDerWaalsContact O-N 3.17Å; R126-E141 HydrophobicContact CB-CB 3.97Å; R126-E141 VanDerWaalsContact CB-OE2 3.26Å; R126-E141 WeakPolarHBondContact CB-OE2 3.27Å; R126-E141 WeakPolarHBondContact CD-OE2 3.32Å; R126-E141 PolarHBondContact O-N 3.38Å
127	R	95.6	Very high	95.4	Very high	111 Å²	111	56.7 Å²	56.7	42%	0.419	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	43	49.6	-175.6	-164.7	-176.5	168.4	168.1	-3.2	111.6	R114 D129 E141	R114-R127 CarbonylContact O-C 3.55Å; R114-R127 VanDerWaalsContact O-CA 3.23Å; R114-R127 WeakPolarHBondContact O-CA 3.33Å; R114-R127 PolarHBondContact O-N 3.17Å; R127-D129 PolarHBondContact O-N 3.41Å; R127-E141 HydrophobicContact CB-CB 3.81Å; R127-E141 HydrophobicContact CB-CG 4.41Å
128	Y	97.3	Very high	95.5	Very high	53 Å²	53	55.4 Å²	55.4	21%	0.208	26%	0.261	C	S	.	.			trans	-57	125.6	-176.3	174.9	-86.9	0	0	0	110.1	R114 K116 C118 V125 R126 H131	R114-Y128 PolarHBondContact O-N 2.84Å; R114-Y128 VanDerWaalsContact O-N 3.15Å; K116-Y128 HydrophobicContact CB-CD1 3.83Å; K116-Y128 HydrophobicContact CB-CD2 4.46Å; K116-Y128 HydrophobicContact CB-CG 3.75Å; K116-Y128 HydrophobicContact CD-CD1 3.73Å; K116-Y128 HydrophobicContact CD-CE1 3.79Å; K116-Y128 HydrophobicContact CD-CG 4.45Å; K116-Y128 HydrophobicContact CG-CD1 4.31Å; C118-Y128 HydrophobicContact CB-CE2 3.93Å; V125-Y128 HydrophobicContact CB-CD2 3.95Å; V125-Y128 HydrophobicContact CG2-CD2 4.04Å; R126-Y128 PolarHBondContact O-N 2.92Å; R126-Y128 VanDerWaalsContact O-N 3.17Å; Y128-H131 PolarHBondContact OH-N 3.29Å; Y128-H131 VanDerWaalsContact OH-N 3.16Å
129	D	98.1	Very high	95.6	Very high	80 Å²	80	55.2 Å²	55.2	43%	0.428	26%	0.26	S	S	.	.			trans	-99.3	-69.9	172.5	-165.8	78.1	0	0	0	109.3	R127 V139 H144	R127-D129 PolarHBondContact O-N 3.41Å; D129-V139 HydrophobicContact CB-CB 4.29Å; D129-V139 HydrophobicContact CB-CG1 4.21Å; D129-V139 WeakPolarHBondContact CB-O 3.27Å; D129-V139 PolarHBondContact N-O 3.4Å; D129-H144 IonicContact OD1-CE1 2.7Å; D129-H144 PolarHBondContact OD1-CE1 3.01Å
130	H	98.1	Very high	95.7	Very high	57 Å²	57	48.3 Å²	48.3	26%	0.264	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	170.7	175.3	64.4	-77.1	0	0	0	112.3	C132 C138 V139 F147	H130-C132 WeakPolarHBondContact NE2-CB 3.24Å; H130-C138 WeakPolarHBondContact O-CA 3.41Å; H130-V139 PolarHBondContact O-N 2.96Å; H130-F147 AromaticContact CE1-CE1 3.84Å; H130-F147 AromaticContact CE1-CZ 3.97Å; H130-F147 AromaticContact NE2-CZ 3.97Å
131	H	97.4	Very high	95.9	Very high	33 Å²	33	48.1 Å²	48.1	15%	0.153	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.7	161.7	-178.1	83.6	0	0	0	108	T120 C121 Y128 P133	T120-H131 WeakPolarHBondContact CG2-NE2 3.31Å; C121-H131 VanDerWaalsContact SG-CE1 3.54Å; C121-H131 PolarHBondContact SG-ND1 3.19Å; Y128-H131 PolarHBondContact OH-N 3.29Å; Y128-H131 VanDerWaalsContact OH-N 3.16Å; H131-P133 WeakPolarHBondContact O-CD 3.38Å
132	C	96.9	Very high	96.1	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.6	-175.5	-177.7	0	0	0	0	110	H130 W134 I135 E136 N137 V139	H130-C132 WeakPolarHBondContact NE2-CB 3.24Å; C132-W134 PolarHBondContact O-N 3.46Å; C132-I135 HydrophobicContact CB-CD1 4.04Å; C132-I135 HydrophobicContact CB-CG1 3.64Å; C132-I135 PolarHBondContact O-N 3.32Å; C132-E136 PolarHBondContact O-N 3.01Å; C132-N137 PolarHBondContact N-O 3.41Å; C132-N137 PolarHBondContact O-N 3.17Å; C132-V139 HydrophobicContact CB-CG2 4.27Å
133	P	94.3	Very high	96.3	Very high	71 Å²	71	47.8 Å²	47.8	46%	0.461	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.5	178.6	-21.5	33.5	0	0	0	113.4	H131 E136	H131-P133 WeakPolarHBondContact O-CD 3.38Å; P133-E136 WeakPolarHBondContact O-CG 3.29Å; P133-E136 PolarHBondContact O-N 2.96Å; P133-E136 VanDerWaalsContact O-OE1 3.11Å
134	W	94.3	Very high	96.6	Very high	198 Å²	198	46.1 Å²	46.1	75%	0.75	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-25	-176.2	-51.5	112.9	0	0	0	113.5	V12 Y60 C132	V12-W134 VanDerWaalsContact CG1-O 3.25Å; V12-W134 WeakPolarHBondContact CG1-O 3.12Å; Y60-W134 WeakPolarHBondContact CE2-O 3.5Å; Y60-W134 PolarHBondContact OH-O 3.3Å; Y60-W134 VanDerWaalsContact OH-O 3.07Å; C132-W134 PolarHBondContact O-N 3.46Å
135	I	95.1	Very high	96.7	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-1.9	173.6	62.7	167.9	0	0	0	111.6	Y60 V63 S64 C132 N137 V139 F147 Y150	Y60-I135 HydrophobicContact CD2-CG2 4.12Å; Y60-I135 HydrophobicContact CE2-CG2 3.87Å; V63-I135 HydrophobicContact CG1-CD1 3.76Å; S64-I135 WeakPolarHBondContact CB-O 3.3Å; C132-I135 HydrophobicContact CB-CD1 4.04Å; C132-I135 HydrophobicContact CB-CG1 3.64Å; C132-I135 PolarHBondContact O-N 3.32Å; I135-N137 HydrophobicContact CD1-CB 4.01Å; I135-N137 HydrophobicContact CG1-CB 4.06Å; I135-N137 PolarHBondContact O-N 2.99Å; I135-V139 HydrophobicContact CD1-CG2 4.07Å; I135-F147 HydrophobicContact CD1-CD2 4.23Å; I135-F147 HydrophobicContact CD1-CE2 4.42Å; I135-Y150 HydrophobicContact CG2-CE1 4.41Å
136	E	94.6	Very high	96.8	Very high	44 Å²	44	60 Å²	60	21%	0.206	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	43.1	-175.8	-72.4	-76.6	118.6	0	0	112.3	S8 G9 V12 C132 P133	S8-E136 WeakPolarHBondContact CB-OE2 3.41Å; S8-E136 PolarHBondContact OG-OE2 3.01Å; G9-E136 PolarHBondContact N-OE2 3.18Å; V12-E136 HydrophobicContact CB-CG 3.83Å; V12-E136 HydrophobicContact CG1-CG 4.19Å; V12-E136 HydrophobicContact CG2-CG 3.77Å; C132-E136 PolarHBondContact O-N 3.01Å; P133-E136 WeakPolarHBondContact O-CG 3.29Å; P133-E136 PolarHBondContact O-N 2.96Å; P133-E136 VanDerWaalsContact O-OE1 3.11Å
137	N	95.6	Very high	96.9	Very high	14 Å²	14	59.1 Å²	59.1	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	159.4	-177	-163.6	11	0	0	0	111.1	V63 S64 M66 C132 I135	V63-N137 PolarHBondContact O-ND2 2.96Å; V63-N137 VanDerWaalsContact O-ND2 3.15Å; S64-N137 PolarHBondContact O-ND2 3.12Å; M66-N137 PolarHBondContact O-ND2 3.23Å; C132-N137 PolarHBondContact N-O 3.41Å; C132-N137 PolarHBondContact O-N 3.17Å; I135-N137 HydrophobicContact CD1-CB 4.01Å; I135-N137 HydrophobicContact CG1-CB 4.06Å; I135-N137 PolarHBondContact O-N 2.99Å
138	C	97.9	Very high	97.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	151.4	170	-88.3	0	0	0	0	111.5	P68 C118 V125 H130 N143	P68-C138 HydrophobicContact CB-CB 4.01Å; P68-C138 WeakPolarHBondContact CB-O 3.46Å; P68-C138 HydrophobicContact CG-CB 3.78Å; C118-C138 PolarHBondContact SG-SG 3.23Å; V125-C138 HydrophobicContact CG1-CB 4.48Å; V125-C138 HydrophobicContact CG2-CB 4.06Å; H130-C138 WeakPolarHBondContact O-CA 3.41Å; C138-N143 PolarHBondContact O-ND2 2.94Å
139	V	98.6	Very high	97.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.8	165.2	-176.6	0	0	0	0	107.3	D129 H130 C132 I135 N143 H144 F147	D129-V139 HydrophobicContact CB-CB 4.29Å; D129-V139 HydrophobicContact CB-CG1 4.21Å; D129-V139 WeakPolarHBondContact CB-O 3.27Å; D129-V139 PolarHBondContact N-O 3.4Å; H130-V139 PolarHBondContact O-N 2.96Å; C132-V139 HydrophobicContact CB-CG2 4.27Å; I135-V139 HydrophobicContact CD1-CG2 4.07Å; V139-N143 WeakPolarHBondContact CA-OD1 2.99Å; V139-H144 HydrophobicContact CG1-CB 4.12Å; V139-F147 HydrophobicContact CG1-CB 4.11Å; V139-F147 HydrophobicContact CG1-CD1 3.93Å; V139-F147 HydrophobicContact CG1-CG 4.06Å; V139-F147 HydrophobicContact CG2-CB 4.44Å; V139-F147 HydrophobicContact CG2-CD1 4.08Å; V139-F147 HydrophobicContact CG2-CD2 3.84Å; V139-F147 HydrophobicContact CG2-CE1 4.26Å; V139-F147 HydrophobicContact CG2-CE2 4.05Å; V139-F147 HydrophobicContact CG2-CG 3.85Å; V139-F147 HydrophobicContact CG2-CZ 4.25Å
140	G	97.8	Very high	97.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	25%	0.253	C	S	.	.			trans	-151.9	-170.2	-172.9	0	0	0	0	0	111.9	P68 R142 N143 H144	P68-G140 CarbonylContact O-C 3.59Å; P68-G140 WeakPolarHBondContact O-CA 3.23Å; G140-R142 VanDerWaalsContact C-N 3.29Å; G140-R142 PolarHBondContact O-N 3.19Å; G140-R142 VanDerWaalsContact O-N 3.1Å; G140-N143 PolarHBondContact N-OD1 3.3Å; G140-N143 PolarHBondContact O-N 3.08Å; G140-N143 PolarHBondContact O-OD1 3.4Å; G140-H144 WeakPolarHBondContact O-CB 3.42Å; G140-H144 PolarHBondContact O-N 2.9Å
141	E	96.9	Very high	97.1	Very high	92 Å²	92	58 Å²	58	43%	0.43	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-44.7	-171.5	-174	159.5	-124.9	0	0	115.4	P68 R126 R127	P68-E141 PolarHBondContact O-N 2.99Å; P68-E141 VanDerWaalsContact O-N 3.08Å; R126-E141 HydrophobicContact CB-CB 3.97Å; R126-E141 VanDerWaalsContact CB-OE2 3.26Å; R126-E141 WeakPolarHBondContact CB-OE2 3.27Å; R126-E141 WeakPolarHBondContact CD-OE2 3.32Å; R126-E141 PolarHBondContact O-N 3.38Å; R127-E141 HydrophobicContact CB-CB 3.81Å; R127-E141 HydrophobicContact CB-CG 4.41Å
142	R	96.8	Very high	97.2	Very high	122 Å²	122	59.2 Å²	59.2	46%	0.46	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-31.9	-171.6	-69.4	-176.3	176	163.1	-4.5	113.1	D67 P68 G140	D67-R142 VanDerWaalsContact O-CB 3.27Å; D67-R142 WeakPolarHBondContact O-CB 3.31Å; D67-R142 IonicContact OD2-CZ 3.45Å; D67-R142 IonicContact OD2-NH1 3.77Å; D67-R142 PolarHBondContact OD2-NH1 3.5Å; P68-R142 PolarHBondContact O-N 3.45Å; G140-R142 VanDerWaalsContact C-N 3.29Å; G140-R142 PolarHBondContact O-N 3.19Å; G140-R142 VanDerWaalsContact O-N 3.1Å
143	N	97.9	Very high	97.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-9.4	-174.9	73.1	-11.9	0	0	0	115	M66 C138 V139 G140 R145 W146 F147	M66-N143 HydrophobicContact CB-CB 4.27Å; M66-N143 HydrophobicContact CG-CB 3.93Å; M66-N143 HydrophobicContact SD-CB 3.55Å; M66-N143 VanDerWaalsContact SD-CB 3.55Å; C138-N143 PolarHBondContact O-ND2 2.94Å; V139-N143 WeakPolarHBondContact CA-OD1 2.99Å; G140-N143 PolarHBondContact N-OD1 3.3Å; G140-N143 PolarHBondContact O-N 3.08Å; G140-N143 PolarHBondContact O-OD1 3.4Å; N143-R145 VanDerWaalsContact C-N 3.34Å; N143-R145 PolarHBondContact O-N 3.45Å; N143-W146 WeakPolarHBondContact O-CB 3.26Å; N143-W146 PolarHBondContact O-N 2.85Å; N143-F147 PolarHBondContact O-N 2.82Å
144	H	98.1	Very high	97.4	Very high	46 Å²	46	58.4 Å²	58.4	21%	0.213	27%	0.267	C	S	.	.	H	α-helix	trans	-54.8	-45.1	-176.2	-163.2	152.6	0	0	0	112.6	D129 V139 G140 W146 F147 V148	D129-H144 IonicContact OD1-CE1 2.7Å; D129-H144 PolarHBondContact OD1-CE1 3.01Å; V139-H144 HydrophobicContact CG1-CB 4.12Å; G140-H144 WeakPolarHBondContact O-CB 3.42Å; G140-H144 PolarHBondContact O-N 2.9Å; H144-W146 VanDerWaalsContact C-N 3.29Å; H144-W146 PolarHBondContact O-N 3.44Å; H144-F147 WeakPolarHBondContact O-CB 3.5Å; H144-F147 PolarHBondContact O-N 2.87Å; H144-V148 PolarHBondContact O-N 2.91Å
145	R	97.9	Very high	97.6	Very high	183 Å²	183	53.8 Å²	53.8	69%	0.691	26%	0.257	S	S	*	.	H	α-helix	trans	-60.1	-39.4	178.5	74.1	-177.5	87.1	179.8	4.7	112.6	N143 V148 L149	N143-R145 VanDerWaalsContact C-N 3.34Å; N143-R145 PolarHBondContact O-N 3.45Å; R145-V148 PolarHBondContact O-N 3.48Å; R145-L149 PolarHBondContact O-N 3.33Å; R145-L149 VanDerWaalsContact O-N 3.11Å
146	W	98.1	Very high	97.7	Very high	109 Å²	109	58.1 Å²	58.1	41%	0.413	28%	0.279	S	S	.	.	H	α-helix	trans	-73.8	-36.5	180	-62.5	108.2	0	0	0	111.1	L59 V63 M66 N143 H144 L149 Y150	L59-W146 HydrophobicContact CD1-CE3 3.92Å; V63-W146 VanDerWaalsContact CG2-C 3.5Å; V63-W146 HydrophobicContact CG2-CB 3.69Å; M66-W146 HydrophobicContact CE-CG 4.16Å; M66-W146 HydrophobicContact SD-CG 4.38Å; N143-W146 WeakPolarHBondContact O-CB 3.26Å; N143-W146 PolarHBondContact O-N 2.85Å; H144-W146 VanDerWaalsContact C-N 3.29Å; H144-W146 PolarHBondContact O-N 3.44Å; W146-L149 HydrophobicContact CE3-CD2 4.16Å; W146-L149 HydrophobicContact CZ3-CD2 4.26Å; W146-L149 PolarHBondContact O-N 2.91Å; W146-Y150 VanDerWaalsContact O-CB 3.31Å; W146-Y150 WeakPolarHBondContact O-CB 3.39Å; W146-Y150 PolarHBondContact O-N 3.28Å
147	F	98.3	Very high	97.9	Very high	21 Å²	21	56.6 Å²	56.6	9%	0.092	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-43.1	172.4	179.3	-104	0	0	0	111.8	V63 H130 I135 V139 N143 H144 Y150 L151	V63-F147 HydrophobicContact CG1-CB 3.88Å; V63-F147 HydrophobicContact CG1-CD2 3.91Å; V63-F147 HydrophobicContact CG1-CG 4.4Å; H130-F147 AromaticContact CE1-CE1 3.84Å; H130-F147 AromaticContact CE1-CZ 3.97Å; H130-F147 AromaticContact NE2-CZ 3.97Å; I135-F147 HydrophobicContact CD1-CD2 4.23Å; I135-F147 HydrophobicContact CD1-CE2 4.42Å; V139-F147 HydrophobicContact CG1-CB 4.11Å; V139-F147 HydrophobicContact CG1-CD1 3.93Å; V139-F147 HydrophobicContact CG1-CG 4.06Å; V139-F147 HydrophobicContact CG2-CB 4.44Å; V139-F147 HydrophobicContact CG2-CD1 4.08Å; V139-F147 HydrophobicContact CG2-CD2 3.84Å; V139-F147 HydrophobicContact CG2-CE1 4.26Å; V139-F147 HydrophobicContact CG2-CE2 4.05Å; V139-F147 HydrophobicContact CG2-CG 3.85Å; V139-F147 HydrophobicContact CG2-CZ 4.25Å; N143-F147 PolarHBondContact O-N 2.82Å; H144-F147 WeakPolarHBondContact O-CB 3.5Å; H144-F147 PolarHBondContact O-N 2.87Å; F147-Y150 HydrophobicContact CD2-CD1 4.33Å; F147-Y150 WeakPolarHBondContact O-CB 3.37Å; F147-Y150 PolarHBondContact O-N 3.42Å; F147-L151 HydrophobicContact CD1-CD1 4.09Å; F147-L151 HydrophobicContact CE1-CD1 3.54Å; F147-L151 HydrophobicContact CE1-CG 4.22Å; F147-L151 HydrophobicContact CE2-CD2 4.47Å; F147-L151 HydrophobicContact CZ-CD1 3.83Å; F147-L151 HydrophobicContact CZ-CD2 4.26Å; F147-L151 HydrophobicContact CZ-CG 4.2Å; F147-L151 WeakPolarHBondContact O-CG 3.22Å; F147-L151 PolarHBondContact O-N 3.31Å
148	V	98.3	Very high	98	Very high	82 Å²	82	60.9 Å²	60.9	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-43.2	176	174.9	0	0	0	0	111.6	H144 R145 Y150 L151 A152	H144-V148 PolarHBondContact O-N 2.91Å; R145-V148 PolarHBondContact O-N 3.48Å; V148-Y150 VanDerWaalsContact C-N 3.3Å; V148-Y150 PolarHBondContact O-N 3.31Å; V148-L151 PolarHBondContact O-N 3.37Å; V148-A152 PolarHBondContact O-N 3.02Å
149	L	98.4	Very high	98	Very high	92 Å²	92	65.8 Å²	65.8	48%	0.482	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-41.3	175	-177.6	63.7	0	0	0	111.6	L59 R145 W146 A152 L153	L59-L149 HydrophobicContact CD2-CB 4.29Å; L59-L149 HydrophobicContact CD2-CD2 4.1Å; L59-L149 HydrophobicContact CD2-CG 3.84Å; R145-L149 PolarHBondContact O-N 3.33Å; R145-L149 VanDerWaalsContact O-N 3.11Å; W146-L149 HydrophobicContact CE3-CD2 4.16Å; W146-L149 HydrophobicContact CZ3-CD2 4.26Å; W146-L149 PolarHBondContact O-N 2.91Å; L149-A152 PolarHBondContact O-N 3.03Å; L149-L153 WeakPolarHBondContact O-CB 3.47Å; L149-L153 PolarHBondContact O-N 3.5Å
150	Y	98.1	Very high	98	Very high	19 Å²	19	69.2 Å²	69.2	8%	0.075	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-48.9	174.3	164	-114.5	0	0	0	111.5	Y60 I135 W146 F147 V148 A152 L153 Q154	Y60-Y150 HydrophobicContact CD2-CE2 4.13Å; Y60-Y150 AromaticContact CD2-CZ 3.83Å; Y60-Y150 HydrophobicContact CG-CE2 4.48Å; I135-Y150 HydrophobicContact CG2-CE1 4.41Å; W146-Y150 VanDerWaalsContact O-CB 3.31Å; W146-Y150 WeakPolarHBondContact O-CB 3.39Å; W146-Y150 PolarHBondContact O-N 3.28Å; F147-Y150 HydrophobicContact CD2-CD1 4.33Å; F147-Y150 WeakPolarHBondContact O-CB 3.37Å; F147-Y150 PolarHBondContact O-N 3.42Å; V148-Y150 VanDerWaalsContact C-N 3.3Å; V148-Y150 PolarHBondContact O-N 3.31Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 PolarHBondContact O-N 3.44Å; Y150-L153 PolarHBondContact O-N 2.91Å; Y150-Q154 HydrophobicContact CE2-CB 4.34Å; Y150-Q154 VanDerWaalsContact O-CB 3.27Å; Y150-Q154 WeakPolarHBondContact O-CB 3.38Å; Y150-Q154 PolarHBondContact O-N 2.91Å
151	L	98.2	Very high	97.9	Very high	86 Å²	86	69.8 Å²	69.8	45%	0.45	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-41.3	178.2	-67.6	-179.8	0	0	0	112.5	F147 V148 Q154 L155	F147-L151 HydrophobicContact CD1-CD1 4.09Å; F147-L151 HydrophobicContact CE1-CD1 3.54Å; F147-L151 HydrophobicContact CE1-CG 4.22Å; F147-L151 HydrophobicContact CE2-CD2 4.47Å; F147-L151 HydrophobicContact CZ-CD1 3.83Å; F147-L151 HydrophobicContact CZ-CD2 4.26Å; F147-L151 HydrophobicContact CZ-CG 4.2Å; F147-L151 WeakPolarHBondContact O-CG 3.22Å; F147-L151 PolarHBondContact O-N 3.31Å; V148-L151 PolarHBondContact O-N 3.37Å; L151-Q154 PolarHBondContact O-N 2.78Å; L151-L155 WeakPolarHBondContact O-CB 3.41Å; L151-L155 PolarHBondContact O-N 2.99Å
152	A	98.5	Very high	97.9	Very high	58 Å²	58	70.8 Å²	70.8	48%	0.479	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-44	177.9	0	0	0	0	0	112	V148 L149 Y150 L155 L156	V148-A152 PolarHBondContact O-N 3.02Å; L149-A152 PolarHBondContact O-N 3.03Å; Y150-A152 VanDerWaalsContact C-N 3.34Å; Y150-A152 PolarHBondContact O-N 3.44Å; A152-L155 PolarHBondContact O-N 3.48Å; A152-L156 PolarHBondContact O-N 3.44Å; A152-L156 VanDerWaalsContact O-N 3.08Å
153	L	98.3	Very high	97.8	Very high	24 Å²	24	70.7 Å²	70.7	13%	0.126	35%	0.352	C	S	.	.	H	α-helix	trans	-66	-42.1	176.8	-177	61	0	0	0	111.7	L52 V55 L59 L149 Y150 L155 L156 V157	L52-L153 HydrophobicContact CD1-CD1 3.46Å; L52-L153 VanDerWaalsContact CD1-CD1 3.46Å; L52-L153 HydrophobicContact CG-CD1 4.04Å; V55-L153 HydrophobicContact CB-CD2 4.32Å; V55-L153 HydrophobicContact CG1-CD2 3.72Å; L59-L153 HydrophobicContact CD2-CD2 4.09Å; L149-L153 WeakPolarHBondContact O-CB 3.47Å; L149-L153 PolarHBondContact O-N 3.5Å; Y150-L153 PolarHBondContact O-N 2.91Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.41Å; L153-L156 WeakPolarHBondContact O-CB 3.48Å; L153-L156 PolarHBondContact O-N 3.33Å; L153-V157 WeakPolarHBondContact O-CG2 3.31Å; L153-V157 PolarHBondContact O-N 3.02Å
154	Q	97.4	Very high	97.6	Very high	35 Å²	35	70.9 Å²	70.9	16%	0.164	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-41.5	176.6	-169.1	64.7	23.5	0	0	111.2	S56 Y150 L151 L156 V157 L158	S56-Q154 PolarHBondContact OG-OE1 3.36Å; Y150-Q154 HydrophobicContact CE2-CB 4.34Å; Y150-Q154 VanDerWaalsContact O-CB 3.27Å; Y150-Q154 WeakPolarHBondContact O-CB 3.38Å; Y150-Q154 PolarHBondContact O-N 2.91Å; L151-Q154 PolarHBondContact O-N 2.78Å; Q154-L156 PolarHBondContact O-N 2.94Å; Q154-V157 PolarHBondContact O-N 3.46Å; Q154-L158 HydrophobicContact CG-CD1 4.2Å; Q154-L158 WeakPolarHBondContact O-CB 3.17Å; Q154-L158 VanDerWaalsContact O-CG 3.23Å; Q154-L158 WeakPolarHBondContact O-CG 3.37Å; Q154-L158 PolarHBondContact O-N 2.84Å
155	L	98.1	Very high	97.4	Very high	102 Å²	102	70.5 Å²	70.5	53%	0.534	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-44.6	174.3	178.1	62.2	0	0	0	111.5	L151 A152 L153 L158 L159	L151-L155 WeakPolarHBondContact O-CB 3.41Å; L151-L155 PolarHBondContact O-N 2.99Å; A152-L155 PolarHBondContact O-N 3.48Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.41Å; L155-L158 PolarHBondContact O-N 3.34Å; L155-L159 HydrophobicContact CD1-CD1 4.05Å; L155-L159 HydrophobicContact CD1-CG 4.07Å; L155-L159 HydrophobicContact CG-CD1 4Å; L155-L159 HydrophobicContact CG-CG 4.41Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 VanDerWaalsContact O-CG 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.38Å; L155-L159 PolarHBondContact O-N 2.97Å
156	L	98.4	Very high	97.2	Very high	91 Å²	91	70.6 Å²	70.6	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-60.8	-46.9	177.6	179.8	64.2	0	0	0	112	L52 A152 L153 Q154 L158 L159 W160	L52-L156 HydrophobicContact CD1-CD2 4.18Å; L52-L156 HydrophobicContact CD2-CD2 4.05Å; L52-L156 HydrophobicContact CD2-CG 4.06Å; A152-L156 PolarHBondContact O-N 3.44Å; A152-L156 VanDerWaalsContact O-N 3.08Å; L153-L156 WeakPolarHBondContact O-CB 3.48Å; L153-L156 PolarHBondContact O-N 3.33Å; Q154-L156 PolarHBondContact O-N 2.94Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 3.34Å; L156-L159 PolarHBondContact O-N 3.11Å; L156-W160 WeakPolarHBondContact O-CB 3.31Å; L156-W160 PolarHBondContact O-N 3.26Å
157	V	98.2	Very high	96.8	Very high	13 Å²	13	67.5 Å²	67.5	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-59.5	-43.8	176.2	171.4	0	0	0	0	110.9	L52 V53 L153 Q154 G161	L52-V157 HydrophobicContact CB-CG2 4.46Å; L52-V157 HydrophobicContact CD2-CG2 3.69Å; L52-V157 HydrophobicContact CG-CG2 3.67Å; V53-V157 HydrophobicContact CG2-CG1 3.93Å; L153-V157 WeakPolarHBondContact O-CG2 3.31Å; L153-V157 PolarHBondContact O-N 3.02Å; Q154-V157 PolarHBondContact O-N 3.46Å; V157-G161 PolarHBondContact O-N 2.94Å
158	L	97.7	Very high	96.2	Very high	103 Å²	103	67.5 Å²	67.5	54%	0.539	36%	0.358	S	S	.	.	H	α-helix	trans	-65.6	-43.3	179.5	-73.3	170.9	0	0	0	112.3	Q154 L155 L156 L162	Q154-L158 HydrophobicContact CG-CD1 4.2Å; Q154-L158 WeakPolarHBondContact O-CB 3.17Å; Q154-L158 VanDerWaalsContact O-CG 3.23Å; Q154-L158 WeakPolarHBondContact O-CG 3.37Å; Q154-L158 PolarHBondContact O-N 2.84Å; L155-L158 PolarHBondContact O-N 3.34Å; L156-L158 VanDerWaalsContact C-N 3.32Å; L156-L158 PolarHBondContact O-N 3.34Å; L158-L162 VanDerWaalsContact O-CB 3.22Å; L158-L162 WeakPolarHBondContact O-CB 3.39Å; L158-L162 PolarHBondContact O-N 3.41Å
159	L	98.2	Very high	95.6	Very high	103 Å²	103	69.6 Å²	69.6	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-44.2	178.3	-71	173.9	0	0	0	111.6	L155 L156 L162 H163	L155-L159 HydrophobicContact CD1-CD1 4.05Å; L155-L159 HydrophobicContact CD1-CG 4.07Å; L155-L159 HydrophobicContact CG-CD1 4Å; L155-L159 HydrophobicContact CG-CG 4.41Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 VanDerWaalsContact O-CG 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.38Å; L155-L159 PolarHBondContact O-N 2.97Å; L156-L159 PolarHBondContact O-N 3.11Å; L159-L162 PolarHBondContact O-N 3.42Å; L159-H163 PolarHBondContact O-N 2.94Å
160	W	97.7	Very high	94.1	Very high	73 Å²	73	67.6 Å²	67.6	28%	0.277	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-45.3	176.6	-167.1	-6	0	0	0	111.1	L48 F49 L52 L156 L162 H163 V164	L48-W160 HydrophobicContact CB-CH2 4.09Å; F49-W160 HydrophobicContact CB-CZ2 4.46Å; F49-W160 HydrophobicContact CD2-CB 4.47Å; F49-W160 AromaticContact CD2-CD2 3.83Å; F49-W160 HydrophobicContact CD2-CD2 3.83Å; F49-W160 HydrophobicContact CD2-CE3 4.18Å; F49-W160 AromaticContact CD2-CG 3.97Å; F49-W160 HydrophobicContact CD2-CG 3.97Å; F49-W160 HydrophobicContact CE2-CB 4.27Å; F49-W160 HydrophobicContact CE2-CD2 4.49Å; F49-W160 HydrophobicContact CE2-CG 4.18Å; L52-W160 HydrophobicContact CD2-CE3 3.82Å; L52-W160 HydrophobicContact CD2-CZ3 4.15Å; L156-W160 WeakPolarHBondContact O-CB 3.31Å; L156-W160 PolarHBondContact O-N 3.26Å; W160-L162 VanDerWaalsContact C-N 3.32Å; W160-L162 PolarHBondContact O-N 3.42Å; W160-H163 WeakPolarHBondContact O-CB 3.34Å; W160-H163 PolarHBondContact O-N 3.43Å; W160-H163 VanDerWaalsContact O-N 3.16Å; W160-V164 WeakPolarHBondContact O-CG2 3.4Å; W160-V164 PolarHBondContact O-N 2.93Å
161	G	96.9	Very high	92.3	Very high	12 Å²	12	76.1 Å²	76.1	12%	0.124	41%	0.407	C	S	.	.	H	α-helix	trans	-59	-41.1	176	0	0	0	0	0	112.7	V157 V164 A165	V157-G161 PolarHBondContact O-N 2.94Å; G161-V164 PolarHBondContact O-N 3.28Å; G161-A165 WeakPolarHBondContact O-CB 3.36Å; G161-A165 PolarHBondContact O-N 2.89Å
162	L	96	Very high	90.5	Very high	113 Å²	113	75.7 Å²	75.7	59%	0.592	42%	0.416	S	S	*	.	H	α-helix	trans	-64.1	-43.1	174.9	179.1	62.6	0	0	0	111.8	L158 L159 W160 A165 W166	L158-L162 VanDerWaalsContact O-CB 3.22Å; L158-L162 WeakPolarHBondContact O-CB 3.39Å; L158-L162 PolarHBondContact O-N 3.41Å; L159-L162 PolarHBondContact O-N 3.42Å; W160-L162 VanDerWaalsContact C-N 3.32Å; W160-L162 PolarHBondContact O-N 3.42Å; L162-A165 PolarHBondContact O-N 3.33Å; L162-W166 WeakPolarHBondContact O-CB 3.15Å; L162-W166 PolarHBondContact O-N 3.05Å
163	H	95.1	Very high	88.8	Confident	119 Å²	119	77 Å²	77	55%	0.551	42%	0.42	S	S	*	.	H	α-helix	trans	-59.3	-48.1	175.1	174.7	71.9	0	0	0	111.3	L159 W160 W166 T167	L159-H163 PolarHBondContact O-N 2.94Å; W160-H163 WeakPolarHBondContact O-CB 3.34Å; W160-H163 PolarHBondContact O-N 3.43Å; W160-H163 VanDerWaalsContact O-N 3.16Å; H163-W166 WeakPolarHBondContact O-CB 3.25Å; H163-W166 PolarHBondContact O-N 3.2Å; H163-T167 WeakPolarHBondContact O-CG2 3.33Å; H163-T167 PolarHBondContact O-N 3.41Å
164	V	94.7	Very high	87.2	Confident	4 Å²	4	79.7 Å²	79.7	2%	0.024	44%	0.44	C	S	.	.	H	α-helix	trans	-61.5	-46.3	176.7	172.8	0	0	0	0	111	L27 T32 L34 W160 G161 W166 T167 G168	L27-V164 HydrophobicContact CB-CG1 4.33Å; L27-V164 HydrophobicContact CD1-CG1 4.47Å; L27-V164 HydrophobicContact CD2-CG1 4.15Å; T32-V164 HydrophobicContact CG2-CG1 4.12Å; L34-V164 HydrophobicContact CB-CG1 4.17Å; L34-V164 HydrophobicContact CD1-CB 4.45Å; L34-V164 HydrophobicContact CD1-CG1 3.78Å; L34-V164 HydrophobicContact CD1-CG2 4.03Å; L34-V164 HydrophobicContact CD2-CG2 4.46Å; L34-V164 HydrophobicContact CG-CB 4.43Å; L34-V164 HydrophobicContact CG-CG1 3.65Å; L34-V164 HydrophobicContact CG-CG2 3.87Å; W160-V164 WeakPolarHBondContact O-CG2 3.4Å; W160-V164 PolarHBondContact O-N 2.93Å; G161-V164 PolarHBondContact O-N 3.28Å; V164-W166 PolarHBondContact O-N 3.01Å; V164-T167 PolarHBondContact O-N 2.89Å; V164-T167 VanDerWaalsContact O-N 3.08Å; V164-T167 PolarHBondContact O-OG1 2.89Å; V164-G168 PolarHBondContact O-N 2.85Å
165	A	93.9	Very high	86.2	Confident	38 Å²	38	87.1 Å²	87.1	31%	0.314	47%	0.467	S	S	.	.	H	α-helix	trans	-56.3	-42.3	176.3	0	0	0	0	0	111.1	L27 G161 L162 T167 G168 L169	L27-A165 HydrophobicContact CD2-CB 3.87Å; G161-A165 WeakPolarHBondContact O-CB 3.36Å; G161-A165 PolarHBondContact O-N 2.89Å; L162-A165 PolarHBondContact O-N 3.33Å; A165-T167 VanDerWaalsContact C-N 3.35Å; A165-T167 PolarHBondContact O-N 2.72Å; A165-G168 PolarHBondContact O-N 3.43Å; A165-G168 VanDerWaalsContact O-N 3.08Å; A165-L169 PolarHBondContact O-N 2.89Å
166	W	92.8	Very high	85.4	Confident	185 Å²	185	84.1 Å²	84.1	70%	0.701	46%	0.455	S	S	*	.	H	α-helix	trans	-61.8	-38.7	176.5	-169.5	-92.1	0	0	0	112.8	L162 H163 V164 G168 L169	L162-W166 WeakPolarHBondContact O-CB 3.15Å; L162-W166 PolarHBondContact O-N 3.05Å; H163-W166 WeakPolarHBondContact O-CB 3.25Å; H163-W166 PolarHBondContact O-N 3.2Å; V164-W166 PolarHBondContact O-N 3.01Å; W166-G168 PolarHBondContact O-N 3.43Å; W166-L169 HydrophobicContact CD2-CD1 4.35Å; W166-L169 HydrophobicContact CE3-CD1 3.77Å; W166-L169 HydrophobicContact CZ3-CD1 4.15Å; W166-L169 WeakPolarHBondContact O-CB 3.27Å; W166-L169 PolarHBondContact O-N 3.03Å; W166-L169 VanDerWaalsContact O-N 3.12Å
167	T	90.4	Very high	84.5	Confident	44 Å²	44	87.3 Å²	87.3	27%	0.27	46%	0.461	S	S	.	.	H	α-helix	trans	-63.3	-29.9	174.1	68.1	0	0	0	0	113.1	E33 H163 V164 A165 L169	E33-T167 HydrophobicContact CB-CG2 4.16Å; E33-T167 WeakPolarHBondContact CB-OG1 3.28Å; E33-T167 PolarHBondContact N-OG1 3Å; H163-T167 WeakPolarHBondContact O-CG2 3.33Å; H163-T167 PolarHBondContact O-N 3.41Å; V164-T167 PolarHBondContact O-N 2.89Å; V164-T167 VanDerWaalsContact O-N 3.08Å; V164-T167 PolarHBondContact O-OG1 2.89Å; A165-T167 VanDerWaalsContact C-N 3.35Å; A165-T167 PolarHBondContact O-N 2.72Å; T167-L169 VanDerWaalsContact C-N 3.33Å
168	G	85.6	Confident	83.9	Confident	22 Å²	22	93.5 Å²	93.5	23%	0.227	48%	0.483	C	S	.	.	H	α-helix	trans	-79.6	-12.9	175.8	0	0	0	0	0	114.3	D31 V164 A165 W166 G170	D31-G168 WeakPolarHBondContact O-CA 3.42Å; V164-G168 PolarHBondContact O-N 2.85Å; A165-G168 PolarHBondContact O-N 3.43Å; A165-G168 VanDerWaalsContact O-N 3.08Å; W166-G168 PolarHBondContact O-N 3.43Å; G168-G170 PolarHBondContact O-N 2.93Å
169	L	84.3	Confident	83.5	Confident	126 Å²	126	93 Å²	93	66%	0.66	48%	0.48	S	S	*	.			trans	-76.3	61.5	167.3	-60.4	174.7	0	0	0	109.1	A165 W166 T167	A165-L169 PolarHBondContact O-N 2.89Å; W166-L169 HydrophobicContact CD2-CD1 4.35Å; W166-L169 HydrophobicContact CE3-CD1 3.77Å; W166-L169 HydrophobicContact CZ3-CD1 4.15Å; W166-L169 WeakPolarHBondContact O-CB 3.27Å; W166-L169 PolarHBondContact O-N 3.03Å; W166-L169 VanDerWaalsContact O-N 3.12Å; T167-L169 VanDerWaalsContact C-N 3.33Å
170	G	68	Low	83.1	Confident	50 Å²	50	95.6 Å²	95.6	52%	0.515	48%	0.483	S	S	.	.			trans	-63	151.3	171.7	0	0	0	0	0	110.8	G168 A172	G168-G170 PolarHBondContact O-N 2.93Å; G170-A172 PolarHBondContact O-N 3.32Å; G170-A172 VanDerWaalsContact O-N 3.11Å
171	H	61.1	Low	82.8	Confident	198 Å²	198	97.7 Å²	97.7	92%	0.917	50%	0.497	S	S	*	.			trans	-54.6	121.2	164.3	-117.1	67.4	0	0	0	107.8
172	A	59.3	Low	82.6	Confident	77 Å²	77	100.5 Å²	100.5	64%	0.636	51%	0.509	S	S	*	.			trans	-45.5	144.1	168.1	0	0	0	0	0	108.9	G170 S174	G170-A172 PolarHBondContact O-N 3.32Å; G170-A172 VanDerWaalsContact O-N 3.11Å; A172-S174 PolarHBondContact O-N 2.88Å; A172-S174 VanDerWaalsContact O-N 3.1Å
173	P	62.8	Low	82.6	Confident	86 Å²	86	96.8 Å²	96.8	56%	0.558	50%	0.498	S	S	*	.			trans	-47.2	128.8	-179.4	19.1	-31.3	0	0	0	108.6	W175 R177	P173-W175 PolarHBondContact O-N 3.25Å; P173-R177 HydrophobicContact CB-CB 4.47Å
174	S	65.4	Low	82.5	Confident	79 Å²	79	93.9 Å²	93.9	55%	0.552	49%	0.491	S	S	*	.			trans	-49.2	137.9	178.8	61.7	0	0	0	0	108.1	A172 S176 R177	A172-S174 PolarHBondContact O-N 2.88Å; A172-S174 VanDerWaalsContact O-N 3.1Å; S174-S176 WeakPolarHBondContact O-CA 3.17Å; S174-S176 PolarHBondContact O-N 3.22Å; S174-S176 PolarHBondContact OG-OG 3.47Å; S174-R177 PolarHBondContact O-N 2.83Å
175	W	76.6	Confident	82.5	Confident	191 Å²	191	98.2 Å²	98.2	72%	0.723	51%	0.511	S	S	*	.	H	α-helix	trans	-43.1	-26	-179.8	-73	91.3	0	0	0	112.4	P173 R177 W178 L179	P173-W175 PolarHBondContact O-N 3.25Å; W175-R177 VanDerWaalsContact C-N 3.35Å; W175-R177 PolarHBondContact O-N 3.01Å; W175-W178 HydrophobicContact CE3-CE3 4.11Å; W175-W178 HydrophobicContact CE3-CZ3 4.5Å; W175-W178 HydrophobicContact CZ3-CE3 4.38Å; W175-W178 HydrophobicContact CZ3-CZ3 4.49Å; W175-W178 PolarHBondContact O-N 3.19Å; W175-L179 HydrophobicContact CB-CD1 4.06Å; W175-L179 HydrophobicContact CB-CG 4.44Å; W175-L179 VanDerWaalsContact O-CB 3.24Å; W175-L179 WeakPolarHBondContact O-CB 3.4Å; W175-L179 WeakPolarHBondContact O-CG 3.37Å; W175-L179 PolarHBondContact O-N 2.73Å
176	S	79.7	Confident	82.6	Confident	40 Å²	40	100.2 Å²	100.2	28%	0.28	52%	0.516	S	S	.	.	H	α-helix	trans	-44.2	-43.9	169.2	82.6	0	0	0	0	116.2	S174 R180	S174-S176 WeakPolarHBondContact O-CA 3.17Å; S174-S176 PolarHBondContact O-N 3.22Å; S174-S176 PolarHBondContact OG-OG 3.47Å; S176-R180 VanDerWaalsContact O-CB 3.32Å; S176-R180 WeakPolarHBondContact O-CB 3.27Å; S176-R180 VanDerWaalsContact O-CG 3.27Å; S176-R180 WeakPolarHBondContact O-CG 3.42Å; S176-R180 PolarHBondContact O-N 3.35Å; S176-R180 PolarHBondContact O-NE 3.18Å; S176-R180 PolarHBondContact OG-NH2 2.8Å
177	R	81.4	Confident	82.7	Confident	158 Å²	158	97.8 Å²	97.8	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-72.9	-42.1	-178.2	-167.8	-176.1	-68	163.6	-0.3	111	P173 S174 W175 R180 M181	P173-R177 HydrophobicContact CB-CB 4.47Å; S174-R177 PolarHBondContact O-N 2.83Å; W175-R177 VanDerWaalsContact C-N 3.35Å; W175-R177 PolarHBondContact O-N 3.01Å; R177-R180 PolarHBondContact O-N 2.98Å; R177-M181 PolarHBondContact O-N 2.93Å; R177-M181 VanDerWaalsContact O-N 3.1Å
178	W	84.1	Confident	83	Confident	142 Å²	142	96.4 Å²	96.4	54%	0.538	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-46.2	174.7	-177.4	90.4	0	0	0	111.5	W175 R180 M181 L182	W175-W178 HydrophobicContact CE3-CE3 4.11Å; W175-W178 HydrophobicContact CE3-CZ3 4.5Å; W175-W178 HydrophobicContact CZ3-CE3 4.38Å; W175-W178 HydrophobicContact CZ3-CZ3 4.49Å; W175-W178 PolarHBondContact O-N 3.19Å; W178-R180 VanDerWaalsContact C-N 3.34Å; W178-R180 PolarHBondContact O-N 3.49Å; W178-M181 PolarHBondContact O-N 3.15Å; W178-L182 HydrophobicContact CE3-CD2 4.41Å; W178-L182 HydrophobicContact CH2-CD2 3.43Å; W178-L182 VanDerWaalsContact CH2-CD2 3.43Å; W178-L182 HydrophobicContact CZ2-CD2 4.13Å; W178-L182 HydrophobicContact CZ3-CD2 3.58Å; W178-L182 WeakPolarHBondContact O-CB 3.25Å; W178-L182 PolarHBondContact O-N 3.39Å
179	L	89.9	Confident	83.5	Confident	94 Å²	94	96.4 Å²	96.4	49%	0.492	49%	0.494	S	S	.	.	H	α-helix	trans	-61.6	-38.6	176.5	-72.7	170.7	0	0	0	112.1	W175 G183	W175-L179 HydrophobicContact CB-CD1 4.06Å; W175-L179 HydrophobicContact CB-CG 4.44Å; W175-L179 VanDerWaalsContact O-CB 3.24Å; W175-L179 WeakPolarHBondContact O-CB 3.4Å; W175-L179 WeakPolarHBondContact O-CG 3.37Å; W175-L179 PolarHBondContact O-N 2.73Å; L179-G183 PolarHBondContact O-N 2.9Å
180	R	90.3	Very high	84.1	Confident	156 Å²	156	91.5 Å²	91.5	59%	0.589	47%	0.47	S	S	*	.	H	α-helix	trans	-64.2	-44.9	173.5	-81.6	-174.5	-67.5	-94.1	-5.8	111.9	S176 R177 W178 G183 S184	S176-R180 VanDerWaalsContact O-CB 3.32Å; S176-R180 WeakPolarHBondContact O-CB 3.27Å; S176-R180 VanDerWaalsContact O-CG 3.27Å; S176-R180 WeakPolarHBondContact O-CG 3.42Å; S176-R180 PolarHBondContact O-N 3.35Å; S176-R180 PolarHBondContact O-NE 3.18Å; S176-R180 PolarHBondContact OG-NH2 2.8Å; R177-R180 PolarHBondContact O-N 2.98Å; W178-R180 VanDerWaalsContact C-N 3.34Å; W178-R180 PolarHBondContact O-N 3.49Å; R180-G183 PolarHBondContact O-N 3.41Å; R180-S184 WeakPolarHBondContact O-CB 3.44Å; R180-S184 PolarHBondContact O-N 2.7Å; R180-S184 PolarHBondContact O-OG 2.9Å
181	M	89.9	Confident	85.3	Confident	118 Å²	118	92 Å²	92	58%	0.581	46%	0.46	S	S	*	.	H	α-helix	trans	-64.3	-48.9	177	-75.1	-138.5	-96.6	0	0	111.3	R177 W178 G183 S184 H185	R177-M181 PolarHBondContact O-N 2.93Å; R177-M181 VanDerWaalsContact O-N 3.1Å; W178-M181 PolarHBondContact O-N 3.15Å; M181-G183 VanDerWaalsContact C-N 3.33Å; M181-G183 PolarHBondContact O-N 3.49Å; M181-S184 PolarHBondContact O-N 3.47Å; M181-S184 PolarHBondContact O-OG 3.17Å; M181-H185 PolarHBondContact O-CD2 3.07Å; M181-H185 PolarHBondContact O-N 3.21Å
182	L	93.4	Very high	86.9	Confident	70 Å²	70	84.2 Å²	84.2	37%	0.366	43%	0.425	S	S	.	.	H	α-helix	trans	-56.9	-46.9	175.4	178.6	62.2	0	0	0	111.5	W178 S184 H185 L186	W178-L182 HydrophobicContact CE3-CD2 4.41Å; W178-L182 HydrophobicContact CH2-CD2 3.43Å; W178-L182 VanDerWaalsContact CH2-CD2 3.43Å; W178-L182 HydrophobicContact CZ2-CD2 4.13Å; W178-L182 HydrophobicContact CZ3-CD2 3.58Å; W178-L182 WeakPolarHBondContact O-CB 3.25Å; W178-L182 PolarHBondContact O-N 3.39Å; L182-S184 VanDerWaalsContact C-N 3.34Å; L182-S184 PolarHBondContact O-N 2.86Å; L182-H185 PolarHBondContact O-N 2.82Å; L182-L186 HydrophobicContact CD1-CD1 4.21Å; L182-L186 HydrophobicContact CD1-CG 4.18Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.37Å; L182-L186 WeakPolarHBondContact O-CG 3.2Å; L182-L186 PolarHBondContact O-N 3.08Å
183	G	95.1	Very high	88.5	Confident	36 Å²	36	81.7 Å²	81.7	37%	0.371	40%	0.404	S	S	.	.	H	α-helix	trans	-58.9	-42.7	176.9	0	0	0	0	0	112.6	L179 R180 M181 H185 L186 Y187	L179-G183 PolarHBondContact O-N 2.9Å; R180-G183 PolarHBondContact O-N 3.41Å; M181-G183 VanDerWaalsContact C-N 3.33Å; M181-G183 PolarHBondContact O-N 3.49Å; G183-H185 PolarHBondContact O-N 3.28Å; G183-L186 PolarHBondContact O-N 2.95Å; G183-Y187 WeakPolarHBondContact O-CB 3.17Å; G183-Y187 PolarHBondContact O-N 3.4Å
184	S	94.3	Very high	90	Very high	57 Å²	57	81 Å²	81	40%	0.399	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-39	176.6	70.9	0	0	0	0	112.8	R180 M181 L182 Y187 L188	R180-S184 WeakPolarHBondContact O-CB 3.44Å; R180-S184 PolarHBondContact O-N 2.7Å; R180-S184 PolarHBondContact O-OG 2.9Å; M181-S184 PolarHBondContact O-N 3.47Å; M181-S184 PolarHBondContact O-OG 3.17Å; L182-S184 VanDerWaalsContact C-N 3.34Å; L182-S184 PolarHBondContact O-N 2.86Å; S184-Y187 PolarHBondContact O-N 3.04Å; S184-L188 VanDerWaalsContact O-CG 3.28Å; S184-L188 WeakPolarHBondContact O-CG 3.35Å; S184-L188 PolarHBondContact O-N 3.1Å
185	H	95.1	Very high	91.4	Very high	96 Å²	96	80 Å²	80	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-69.9	-41.4	175.3	-77.5	-73.4	0	0	0	112.3	M181 L182 G183 Y187 L188 V189	M181-H185 PolarHBondContact O-CD2 3.07Å; M181-H185 PolarHBondContact O-N 3.21Å; L182-H185 PolarHBondContact O-N 2.82Å; G183-H185 PolarHBondContact O-N 3.28Å; H185-Y187 VanDerWaalsContact C-N 3.31Å; H185-Y187 PolarHBondContact O-N 3.38Å; H185-L188 PolarHBondContact O-N 3.33Å; H185-V189 VanDerWaalsContact O-CG2 3.3Å; H185-V189 WeakPolarHBondContact O-CG2 3.46Å; H185-V189 PolarHBondContact O-N 3.13Å
186	L	95.7	Very high	92.2	Very high	79 Å²	79	77.8 Å²	77.8	41%	0.414	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-39.3	174.5	-71.6	173.6	0	0	0	111.7	L182 G183 V189 S190 F229	L182-L186 HydrophobicContact CD1-CD1 4.21Å; L182-L186 HydrophobicContact CD1-CG 4.18Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.37Å; L182-L186 WeakPolarHBondContact O-CG 3.2Å; L182-L186 PolarHBondContact O-N 3.08Å; G183-L186 PolarHBondContact O-N 2.95Å; L186-V189 PolarHBondContact O-N 2.88Å; L186-S190 WeakPolarHBondContact O-CB 3.18Å; L186-S190 PolarHBondContact O-N 2.8Å; L186-F229 HydrophobicContact CD2-CZ 4.28Å
187	Y	95.1	Very high	92.8	Very high	134 Å²	134	77 Å²	77	53%	0.525	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-49.4	173.5	173.5	-106	0	0	0	111.6	G183 S184 H185 V189 S190 M191	G183-Y187 WeakPolarHBondContact O-CB 3.17Å; G183-Y187 PolarHBondContact O-N 3.4Å; S184-Y187 PolarHBondContact O-N 3.04Å; H185-Y187 VanDerWaalsContact C-N 3.31Å; H185-Y187 PolarHBondContact O-N 3.38Å; Y187-V189 PolarHBondContact O-N 2.81Å; Y187-S190 WeakPolarHBondContact O-CB 3.42Å; Y187-S190 PolarHBondContact O-N 3.36Å; Y187-S190 VanDerWaalsContact O-N 3.1Å; Y187-S190 PolarHBondContact O-OG 3.08Å; Y187-M191 HydrophobicContact CD2-CG 4.45Å; Y187-M191 HydrophobicContact CE1-CG 4.38Å; Y187-M191 HydrophobicContact CE2-CG 3.99Å; Y187-M191 HydrophobicContact CE2-SD 4.39Å; Y187-M191 WeakPolarHBondContact O-CG 3.37Å; Y187-M191 PolarHBondContact O-N 3.33Å
188	L	96.1	Very high	93.3	Very high	15 Å²	15	76.3 Å²	76.3	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-59.3	-44	177.1	-73.3	174.6	0	0	0	112.3	S184 H185 S190 M191 N192 A193 F198	S184-L188 VanDerWaalsContact O-CG 3.28Å; S184-L188 WeakPolarHBondContact O-CG 3.35Å; S184-L188 PolarHBondContact O-N 3.1Å; H185-L188 PolarHBondContact O-N 3.33Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 3.23Å; L188-M191 CarbonylContact O-C 3.17Å; L188-M191 PolarHBondContact O-N 2.9Å; L188-M191 VanDerWaalsContact O-N 3.15Å; L188-N192 PolarHBondContact O-N 2.83Å; L188-N192 VanDerWaalsContact O-N 3.1Å; L188-A193 CarbonylContact C-O 3.52Å; L188-A193 WeakPolarHBondContact CB-O 3.47Å; L188-A193 HydrophobicContact CD2-CB 4.23Å; L188-A193 PolarHBondContact O-N 2.56Å; L188-F198 HydrophobicContact CD2-CB 3.85Å; L188-F198 HydrophobicContact CD2-CD2 4.21Å; L188-F198 HydrophobicContact CD2-CG 4.07Å
189	V	96.1	Very high	93.7	Very high	23 Å²	23	76 Å²	76	14%	0.139	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-41.3	174	172.4	0	0	0	0	111.2	H185 L186 Y187 M191 N192 L225 F228 F229	H185-V189 VanDerWaalsContact O-CG2 3.3Å; H185-V189 WeakPolarHBondContact O-CG2 3.46Å; H185-V189 PolarHBondContact O-N 3.13Å; L186-V189 PolarHBondContact O-N 2.88Å; Y187-V189 PolarHBondContact O-N 2.81Å; V189-M191 PolarHBondContact O-N 3.39Å; V189-N192 PolarHBondContact O-N 3.49Å; V189-L225 HydrophobicContact CG1-CD2 3.99Å; V189-F228 HydrophobicContact CG1-CB 3.61Å; V189-F228 HydrophobicContact CG1-CD1 3.67Å; V189-F228 HydrophobicContact CG1-CD2 3.96Å; V189-F228 HydrophobicContact CG1-CE1 4.32Å; V189-F228 HydrophobicContact CG1-CG 3.46Å; V189-F228 VanDerWaalsContact CG1-CG 3.46Å; V189-F228 HydrophobicContact CG2-CD1 4.22Å; V189-F228 HydrophobicContact CG2-CD2 4.16Å; V189-F228 HydrophobicContact CG2-CE1 4.06Å; V189-F228 HydrophobicContact CG2-CE2 3.99Å; V189-F228 HydrophobicContact CG2-CG 4.28Å; V189-F228 HydrophobicContact CG2-CZ 3.94Å; V189-F229 HydrophobicContact CG1-CE2 4.32Å
190	S	96.1	Very high	93.8	Very high	22 Å²	22	71.6 Å²	71.6	15%	0.154	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-26.4	177.7	78	0	0	0	0	113	L186 Y187 L188 A221 N224	L186-S190 WeakPolarHBondContact O-CB 3.18Å; L186-S190 PolarHBondContact O-N 2.8Å; Y187-S190 WeakPolarHBondContact O-CB 3.42Å; Y187-S190 PolarHBondContact O-N 3.36Å; Y187-S190 VanDerWaalsContact O-N 3.1Å; Y187-S190 PolarHBondContact O-OG 3.08Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 3.23Å; S190-A221 WeakPolarHBondContact O-CA 3.26Å; S190-N224 PolarHBondContact O-ND2 2.86Å
191	M	94.2	Very high	93.7	Very high	60 Å²	60	67.6 Å²	67.6	30%	0.296	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0.6	174.8	-62.2	-58.8	-61.1	0	0	112.7	Y187 L188 V189 A193 N215 D218	Y187-M191 HydrophobicContact CD2-CG 4.45Å; Y187-M191 HydrophobicContact CE1-CG 4.38Å; Y187-M191 HydrophobicContact CE2-CG 3.99Å; Y187-M191 HydrophobicContact CE2-SD 4.39Å; Y187-M191 WeakPolarHBondContact O-CG 3.37Å; Y187-M191 PolarHBondContact O-N 3.33Å; L188-M191 CarbonylContact O-C 3.17Å; L188-M191 PolarHBondContact O-N 2.9Å; L188-M191 VanDerWaalsContact O-N 3.15Å; V189-M191 PolarHBondContact O-N 3.39Å; M191-A193 VanDerWaalsContact C-N 3.27Å; M191-A193 HydrophobicContact CB-CB 4.4Å; M191-A193 PolarHBondContact O-N 3.03Å; M191-N215 PolarHBondContact O-ND2 2.92Å; M191-D218 WeakPolarHBondContact CE-OD2 3.45Å
192	N	94.4	Very high	93.7	Very high	35 Å²	35	68.6 Å²	68.6	19%	0.187	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	47.5	-169.6	-158	7.1	0	0	0	112.8	L188 V189 N215 F217 N224	L188-N192 PolarHBondContact O-N 2.83Å; L188-N192 VanDerWaalsContact O-N 3.1Å; V189-N192 PolarHBondContact O-N 3.49Å; N192-N215 PolarHBondContact O-ND2 3.46Å; N192-F217 HydrophobicContact CB-CB 4.43Å; N192-F217 WeakPolarHBondContact CB-O 3.34Å; N192-F217 PolarHBondContact ND2-O 3.21Å; N192-N224 HydrophobicContact CB-CB 4.11Å
193	A	93.8	Very high	93.5	Very high	24 Å²	24	72.2 Å²	72.2	20%	0.198	35%	0.354	C	S	.	.			trans	-122.7	147.8	178	0	0	0	0	0	110.3	L188 M191	L188-A193 CarbonylContact C-O 3.52Å; L188-A193 WeakPolarHBondContact CB-O 3.47Å; L188-A193 HydrophobicContact CD2-CB 4.23Å; L188-A193 PolarHBondContact O-N 2.56Å; M191-A193 VanDerWaalsContact C-N 3.27Å; M191-A193 HydrophobicContact CB-CB 4.4Å; M191-A193 PolarHBondContact O-N 3.03Å
194	T	94.3	Very high	93.4	Very high	71 Å²	71	71 Å²	71	44%	0.436	34%	0.339	S	S	.	.			trans	-92	159.5	170.9	64.4	0	0	0	0	111.4	W196 E197 F198	T194-W196 PolarHBondContact O-N 2.99Å; T194-E197 WeakPolarHBondContact CB-OE2 3.4Å; T194-E197 WeakPolarHBondContact CG2-OE2 3.48Å; T194-E197 PolarHBondContact N-OE2 3.22Å; T194-E197 PolarHBondContact O-N 2.82Å; T194-E197 WeakPolarHBondContact OG1-CB 3.47Å; T194-E197 VanDerWaalsContact OG1-CD 3.29Å; T194-E197 VanDerWaalsContact OG1-CG 3.24Å; T194-E197 WeakPolarHBondContact OG1-CG 3.23Å; T194-E197 PolarHBondContact OG1-N 2.95Å; T194-E197 VanDerWaalsContact OG1-N 3.15Å; T194-E197 PolarHBondContact OG1-OE2 3.38Å; T194-F198 PolarHBondContact O-N 2.98Å
195	T	94	Very high	93.2	Very high	60 Å²	60	72.4 Å²	72.4	37%	0.368	35%	0.349	S	S	.	.	H	α-helix	trans	-58.2	-34.4	172.5	-51.4	0	0	0	0	111.7	M199	T195-M199 HydrophobicContact CG2-CG 4.25Å; T195-M199 HydrophobicContact CG2-SD 3.79Å; T195-M199 WeakPolarHBondContact O-CB 3.24Å; T195-M199 WeakPolarHBondContact O-CG 3.46Å; T195-M199 PolarHBondContact O-N 3.25Å
196	W	92.6	Very high	92.8	Very high	144 Å²	144	71.9 Å²	71.9	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-46	177.4	-178.1	-115.9	0	0	0	112	T194 F198 M199 S200 R203	T194-W196 PolarHBondContact O-N 2.99Å; W196-F198 VanDerWaalsContact C-N 3.32Å; W196-F198 PolarHBondContact O-N 3.17Å; W196-M199 PolarHBondContact O-N 3.15Å; W196-S200 VanDerWaalsContact CE3-OG 3.28Å; W196-S200 WeakPolarHBondContact CH2-OG 3.45Å; W196-S200 WeakPolarHBondContact CZ3-OG 3.37Å; W196-S200 WeakPolarHBondContact O-CA 3.23Å; W196-S200 VanDerWaalsContact O-CB 3.22Å; W196-S200 WeakPolarHBondContact O-CB 3.25Å; W196-S200 PolarHBondContact O-N 3.12Å; W196-R203 VanDerWaalsContact CH2-CZ 3.44Å; W196-R203 VanDerWaalsContact CZ3-NH2 3.31Å
197	E	92.8	Very high	92.5	Very high	23 Å²	23	68.5 Å²	68.5	11%	0.107	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-41.9	176.8	-72	163.5	144.3	0	0	111.9	T194 R201 I204 Y206 L207	T194-E197 WeakPolarHBondContact CB-OE2 3.4Å; T194-E197 WeakPolarHBondContact CG2-OE2 3.48Å; T194-E197 PolarHBondContact N-OE2 3.22Å; T194-E197 PolarHBondContact O-N 2.82Å; T194-E197 WeakPolarHBondContact OG1-CB 3.47Å; T194-E197 VanDerWaalsContact OG1-CD 3.29Å; T194-E197 VanDerWaalsContact OG1-CG 3.24Å; T194-E197 WeakPolarHBondContact OG1-CG 3.23Å; T194-E197 PolarHBondContact OG1-N 2.95Å; T194-E197 VanDerWaalsContact OG1-N 3.15Å; T194-E197 PolarHBondContact OG1-OE2 3.38Å; E197-R201 WeakPolarHBondContact O-CA 3.42Å; E197-R201 VanDerWaalsContact O-CB 3.31Å; E197-R201 WeakPolarHBondContact O-CB 3.27Å; E197-R201 PolarHBondContact O-N 3.35Å; E197-R201 VanDerWaalsContact O-N 3.1Å; E197-I204 HydrophobicContact CB-CD1 4.22Å; E197-I204 HydrophobicContact CG-CD1 3.8Å; E197-Y206 PolarHBondContact OE1-OH 3.45Å; E197-L207 HydrophobicContact CB-CD1 4.07Å; E197-L207 HydrophobicContact CG-CD1 3.97Å
198	F	91.6	Very high	92	Very high	143 Å²	143	68.5 Å²	68.5	63%	0.627	33%	0.329	S	S	*	.	H	α-helix	trans	-65.2	-50.1	176.7	-176.3	-98.4	0	0	0	112.8	L188 T194 W196	L188-F198 HydrophobicContact CD2-CB 3.85Å; L188-F198 HydrophobicContact CD2-CD2 4.21Å; L188-F198 HydrophobicContact CD2-CG 4.07Å; T194-F198 PolarHBondContact O-N 2.98Å; W196-F198 VanDerWaalsContact C-N 3.32Å; W196-F198 PolarHBondContact O-N 3.17Å
199	M	92.3	Very high	91.4	Very high	136 Å²	136	75.6 Å²	75.6	67%	0.67	36%	0.361	S	S	*	.	H	α-helix	trans	-77.9	-25.3	-174.6	-68	-174.8	70.3	0	0	113.7	T195 W196	T195-M199 HydrophobicContact CG2-CG 4.25Å; T195-M199 HydrophobicContact CG2-SD 3.79Å; T195-M199 WeakPolarHBondContact O-CB 3.24Å; T195-M199 WeakPolarHBondContact O-CG 3.46Å; T195-M199 PolarHBondContact O-N 3.25Å; W196-M199 PolarHBondContact O-N 3.15Å
200	S	92.3	Very high	90.7	Very high	2 Å²	2	75.7 Å²	75.7	1%	0.014	36%	0.362	C	S	.	.	H	α-helix	trans	-129	20.1	-166.6	-55.3	0	0	0	0	113.6	W196 H202 R203	W196-S200 VanDerWaalsContact CE3-OG 3.28Å; W196-S200 WeakPolarHBondContact CH2-OG 3.45Å; W196-S200 WeakPolarHBondContact CZ3-OG 3.37Å; W196-S200 WeakPolarHBondContact O-CA 3.23Å; W196-S200 VanDerWaalsContact O-CB 3.22Å; W196-S200 WeakPolarHBondContact O-CB 3.25Å; W196-S200 PolarHBondContact O-N 3.12Å; S200-H202 PolarHBondContact O-N 3.24Å; S200-R203 WeakPolarHBondContact O-CB 3.35Å; S200-R203 PolarHBondContact O-N 3.42Å; S200-R203 PolarHBondContact OG-NH2 3.03Å
201	R	89.8	Confident	90	Very high	71 Å²	71	76.1 Å²	76.1	27%	0.268	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-40.6	-48.9	-178.6	-168.7	176.9	-179.5	112.4	8.3	113.8	E197 R203 I204 L207 G211 A212 E214	E197-R201 WeakPolarHBondContact O-CA 3.42Å; E197-R201 VanDerWaalsContact O-CB 3.31Å; E197-R201 WeakPolarHBondContact O-CB 3.27Å; E197-R201 PolarHBondContact O-N 3.35Å; E197-R201 VanDerWaalsContact O-N 3.1Å; R201-R203 PolarHBondContact O-N 3.32Å; R201-R203 VanDerWaalsContact O-N 3.1Å; R201-I204 PolarHBondContact O-N 2.95Å; R201-L207 HydrophobicContact CG-CB 4.19Å; R201-L207 HydrophobicContact CG-CD1 4.19Å; R201-G211 PolarHBondContact NH2-O 3.24Å; R201-A212 PolarHBondContact NH1-O 3.31Å; R201-E214 PolarHBondContact NH1-O 2.66Å; R201-E214 PolarHBondContact NH2-O 3.3Å
202	H	88	Confident	89.3	Confident	140 Å²	140	77.2 Å²	77.2	65%	0.648	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21	-178.7	69.4	-83.7	0	0	0	114.6	S200 K208	S200-H202 PolarHBondContact O-N 3.24Å; H202-K208 WeakPolarHBondContact O-CE 3.23Å
203	R	91.3	Very high	88.6	Confident	145 Å²	145	83.5 Å²	83.5	55%	0.547	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-89.8	-13.1	178.8	-57.9	-168.8	-80	-172.6	-7.6	113.2	W196 S200 R201	W196-R203 VanDerWaalsContact CH2-CZ 3.44Å; W196-R203 VanDerWaalsContact CZ3-NH2 3.31Å; S200-R203 WeakPolarHBondContact O-CB 3.35Å; S200-R203 PolarHBondContact O-N 3.42Å; S200-R203 PolarHBondContact OG-NH2 3.03Å; R201-R203 PolarHBondContact O-N 3.32Å; R201-R203 VanDerWaalsContact O-N 3.1Å
204	I	91.1	Very high	88.1	Confident	12 Å²	12	87.9 Å²	87.9	6%	0.062	44%	0.439	C	S	.	.			trans	-94.6	119.5	-169.8	-62.7	171	0	0	0	109.8	E197 R201 Y206 L207 K208	E197-I204 HydrophobicContact CB-CD1 4.22Å; E197-I204 HydrophobicContact CG-CD1 3.8Å; R201-I204 PolarHBondContact O-N 2.95Å; I204-Y206 HydrophobicContact CG2-CD1 3.66Å; I204-Y206 HydrophobicContact CG2-CD2 4.05Å; I204-Y206 HydrophobicContact CG2-CE1 3.29Å; I204-Y206 HydrophobicContact CG2-CE2 3.71Å; I204-Y206 HydrophobicContact CG2-CG 4.02Å; I204-Y206 PolarHBondContact O-N 2.84Å; I204-L207 HydrophobicContact CB-CB 4.36Å; I204-L207 HydrophobicContact CB-CD1 4.27Å; I204-L207 HydrophobicContact CB-CG 4.44Å; I204-L207 HydrophobicContact CD1-CD1 4.08Å; I204-L207 HydrophobicContact CG2-CB 4.27Å; I204-L207 HydrophobicContact CG2-CD1 4.06Å; I204-L207 HydrophobicContact CG2-CG 3.97Å; I204-L207 PolarHBondContact O-N 3.42Å; I204-K208 WeakPolarHBondContact O-CG 3.26Å; I204-K208 PolarHBondContact O-N 2.88Å
205	S	90.3	Very high	87.9	Confident	86 Å²	86	86 Å²	86	60%	0.601	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-45.4	-171.2	48.1	0	0	0	0	113.8	K208	S205-K208 PolarHBondContact O-N 3.18Å
206	Y	87.8	Confident	87.6	Confident	85 Å²	85	84 Å²	84	33%	0.333	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-74.2	-24.2	-177.7	58.4	-97.1	0	0	0	113.4	E197 I204 F217 Y241	E197-Y206 PolarHBondContact OE1-OH 3.45Å; I204-Y206 HydrophobicContact CG2-CD1 3.66Å; I204-Y206 HydrophobicContact CG2-CD2 4.05Å; I204-Y206 HydrophobicContact CG2-CE1 3.29Å; I204-Y206 HydrophobicContact CG2-CE2 3.71Å; I204-Y206 HydrophobicContact CG2-CG 4.02Å; I204-Y206 PolarHBondContact O-N 2.84Å; Y206-F217 HydrophobicContact CD2-CE2 4.23Å; Y206-F217 HydrophobicContact CD2-CZ 4.37Å; Y206-F217 AromaticContact CE2-CE2 3.7Å; Y206-F217 HydrophobicContact CE2-CE2 3.7Å; Y206-F217 HydrophobicContact CE2-CZ 4.08Å; Y206-Y241 HydrophobicContact CD2-CD2 4.4Å; Y206-Y241 HydrophobicContact CD2-CE2 4.07Å; Y206-Y241 HydrophobicContact CG-CE2 4.49Å; Y206-Y241 PolarHBondContact O-OH 3.28Å
207	L	88.2	Confident	87.6	Confident	7 Å²	7	77.9 Å²	77.9	4%	0.037	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-86	-12	177.7	-64.7	177.9	0	0	0	113.8	E197 R201 I204 H209 C210 P216	E197-L207 HydrophobicContact CB-CD1 4.07Å; E197-L207 HydrophobicContact CG-CD1 3.97Å; R201-L207 HydrophobicContact CG-CB 4.19Å; R201-L207 HydrophobicContact CG-CD1 4.19Å; I204-L207 HydrophobicContact CB-CB 4.36Å; I204-L207 HydrophobicContact CB-CD1 4.27Å; I204-L207 HydrophobicContact CB-CG 4.44Å; I204-L207 HydrophobicContact CD1-CD1 4.08Å; I204-L207 HydrophobicContact CG2-CB 4.27Å; I204-L207 HydrophobicContact CG2-CD1 4.06Å; I204-L207 HydrophobicContact CG2-CG 3.97Å; I204-L207 PolarHBondContact O-N 3.42Å; L207-H209 PolarHBondContact O-N 3.05Å; L207-C210 PolarHBondContact O-N 3.39Å; L207-P216 HydrophobicContact CD2-CG 4.04Å
208	K	86	Confident	87.6	Confident	135 Å²	135	78.9 Å²	78.9	59%	0.587	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-64	-25.1	178.5	-77.7	176.1	-176.9	-175.8	0	113.4	H202 I204 S205	H202-K208 WeakPolarHBondContact O-CE 3.23Å; I204-K208 WeakPolarHBondContact O-CG 3.26Å; I204-K208 PolarHBondContact O-N 2.88Å; S205-K208 PolarHBondContact O-N 3.18Å
209	H	82.1	Confident	87.5	Confident	164 Å²	164	76.8 Å²	76.8	76%	0.759	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-91.9	-13.9	-177.8	-58.2	-62.1	0	0	0	112.9	L207	L207-H209 PolarHBondContact O-N 3.05Å
210	C	82.4	Confident	87.5	Confident	24 Å²	24	72 Å²	72	16%	0.162	37%	0.371	C	S	.	.	S	Bend	trans	-83.6	148.7	175.4	-56.9	0	0	0	0	110.5	L207 E214	L207-C210 PolarHBondContact O-N 3.39Å; C210-E214 HydrophobicContact CB-CB 4.12Å
211	G	81.7	Confident	87.6	Confident	32 Å²	32	74.4 Å²	74.4	33%	0.33	39%	0.391	S	S	.	.			trans	-55.6	160.8	170.7	0	0	0	0	0	112.3	R201 D213 E214	R201-G211 PolarHBondContact NH2-O 3.24Å; G211-D213 PolarHBondContact O-N 3.16Å; G211-E214 PolarHBondContact N-OE2 2.97Å; G211-E214 PolarHBondContact O-N 3.37Å
212	A	78.2	Confident	87.9	Confident	83 Å²	83	74.9 Å²	74.9	69%	0.686	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.3	-176.8	0	0	0	0	0	113	R201	R201-A212 PolarHBondContact NH1-O 3.31Å
213	D	79.4	Confident	88.1	Confident	166 Å²	166	77 Å²	77	89%	0.888	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-1.2	-177.5	-59.3	-39.5	0	0	0	113.6	G211	G211-D213 PolarHBondContact O-N 3.16Å
214	E	84.9	Confident	88.3	Confident	116 Å²	116	70.4 Å²	70.4	54%	0.542	39%	0.388	S	S	.	.			trans	-82	134.2	-179	-73.6	178.8	169.1	0	0	111	R201 C210 G211	R201-E214 PolarHBondContact NH1-O 2.66Å; R201-E214 PolarHBondContact NH2-O 3.3Å; C210-E214 HydrophobicContact CB-CB 4.12Å; G211-E214 PolarHBondContact N-OE2 2.97Å; G211-E214 PolarHBondContact O-N 3.37Å
215	N	89.3	Confident	88.5	Confident	33 Å²	33	72.8 Å²	72.8	18%	0.176	40%	0.401	C	S	.	.			trans	-123.3	105.5	167.6	-176.7	1.4	0	0	0	109.5	M191 N192 F217 D218	M191-N215 PolarHBondContact O-ND2 2.92Å; N192-N215 PolarHBondContact O-ND2 3.46Å; N215-F217 PolarHBondContact O-N 3.37Å; N215-F217 PolarHBondContact OD1-N 3.43Å; N215-F217 VanDerWaalsContact OD1-N 3.13Å; N215-D218 HydrophobicContact CB-CB 3.88Å; N215-D218 PolarHBondContact O-N 3.16Å; N215-D218 VanDerWaalsContact O-N 3.07Å
216	P	88.5	Confident	88.6	Confident	18 Å²	18	76.5 Å²	76.5	12%	0.117	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-6.1	-175.7	29.7	-36.4	0	0	0	113.9	L207 Y241	L207-P216 HydrophobicContact CD2-CG 4.04Å; P216-Y241 HydrophobicContact CB-CD2 3.94Å; P216-Y241 HydrophobicContact CB-CE2 4.07Å; P216-Y241 HydrophobicContact CG-CD2 3.77Å; P216-Y241 HydrophobicContact CG-CE2 3.7Å
217	F	91.7	Very high	88.8	Confident	14 Å²	14	73.4 Å²	73.4	6%	0.061	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-9.5	176.9	-54.4	-68.4	0	0	0	113	N192 Y206 N215 R219 W237 A240 Y241	N192-F217 HydrophobicContact CB-CB 4.43Å; N192-F217 WeakPolarHBondContact CB-O 3.34Å; N192-F217 PolarHBondContact ND2-O 3.21Å; Y206-F217 HydrophobicContact CD2-CE2 4.23Å; Y206-F217 HydrophobicContact CD2-CZ 4.37Å; Y206-F217 AromaticContact CE2-CE2 3.7Å; Y206-F217 HydrophobicContact CE2-CE2 3.7Å; Y206-F217 HydrophobicContact CE2-CZ 4.08Å; N215-F217 PolarHBondContact O-N 3.37Å; N215-F217 PolarHBondContact OD1-N 3.43Å; N215-F217 VanDerWaalsContact OD1-N 3.13Å; F217-R219 PolarHBondContact O-N 3.03Å; F217-W237 AromaticContact CD1-CE3 3.85Å; F217-W237 HydrophobicContact CD1-CE3 3.85Å; F217-W237 HydrophobicContact CD1-CZ3 4.33Å; F217-W237 HydrophobicContact CE1-CB 4.34Å; F217-W237 HydrophobicContact CE1-CE3 4.21Å; F217-A240 HydrophobicContact CD1-CB 4.33Å; F217-Y241 HydrophobicContact CE1-CD2 4.13Å; F217-Y241 HydrophobicContact CE2-CD2 4.37Å; F217-Y241 AromaticContact CZ-CD2 3.72Å; F217-Y241 HydrophobicContact CZ-CD2 3.72Å; F217-Y241 HydrophobicContact CZ-CG 4.43Å
218	D	92.3	Very high	89.1	Confident	44 Å²	44	79.4 Å²	79.4	24%	0.235	42%	0.422	C	S	.	.			trans	-76.3	111.9	-178.5	-175.7	3.8	0	0	0	110.9	M191 N215 G220 N224	M191-D218 WeakPolarHBondContact CE-OD2 3.45Å; N215-D218 HydrophobicContact CB-CB 3.88Å; N215-D218 PolarHBondContact O-N 3.16Å; N215-D218 VanDerWaalsContact O-N 3.07Å; D218-G220 WeakPolarHBondContact OD1-CA 3.32Å; D218-G220 PolarHBondContact OD1-N 3.35Å; D218-N224 PolarHBondContact OD1-ND2 3.21Å
219	R	90.7	Very high	89.5	Confident	100 Å²	100	78.2 Å²	78.2	38%	0.377	42%	0.417	S	S	.	.			trans	-101.6	14.6	178	-59.7	177.5	-178.1	163.4	2.1	112.8	F217 R223 N224 A240	F217-R219 PolarHBondContact O-N 3.03Å; R219-R223 HydrophobicContact CB-CB 4.11Å; R219-R223 WeakPolarHBondContact O-CD 3.44Å; R219-N224 WeakPolarHBondContact CB-OD1 3.44Å; R219-N224 PolarHBondContact N-OD1 2.86Å; R219-A240 VanDerWaalsContact NH2-CB 3.26Å
220	G	92.3	Very high	90	Very high	35 Å²	35	73.1 Å²	73.1	36%	0.361	40%	0.398	S	S	.	.			trans	88.7	142.5	-170.1	0	0	0	0	0	112.7	D218 A222 R223 N224	D218-G220 WeakPolarHBondContact OD1-CA 3.32Å; D218-G220 PolarHBondContact OD1-N 3.35Å; G220-A222 VanDerWaalsContact C-N 3.33Å; G220-A222 PolarHBondContact O-N 3.1Å; G220-A222 VanDerWaalsContact O-N 3.11Å; G220-R223 PolarHBondContact O-N 2.71Å; G220-N224 VanDerWaalsContact O-CG 3.32Å; G220-N224 PolarHBondContact O-N 3.17Å; G220-N224 PolarHBondContact O-ND2 2.97Å
221	A	94.3	Very high	90.2	Very high	52 Å²	52	77.3 Å²	77.3	43%	0.43	42%	0.416	S	S	.	.	H	α-helix	trans	-49.2	-45	-168.8	0	0	0	0	0	115.2	S190 R223 N224 L225	S190-A221 WeakPolarHBondContact O-CA 3.26Å; A221-R223 PolarHBondContact O-N 2.86Å; A221-N224 PolarHBondContact O-N 2.64Å; A221-L225 WeakPolarHBondContact O-CB 3.33Å; A221-L225 WeakPolarHBondContact O-CD1 3.49Å; A221-L225 VanDerWaalsContact O-CG 3.23Å; A221-L225 WeakPolarHBondContact O-CG 3.42Å; A221-L225 PolarHBondContact O-N 3.45Å
222	A	94.8	Very high	90	Very high	81 Å²	81	87 Å²	87	67%	0.669	44%	0.443	S	S	*	.	H	α-helix	trans	-64.2	-41.1	-179.5	0	0	0	0	0	112.7	G220 W226	G220-A222 VanDerWaalsContact C-N 3.33Å; G220-A222 PolarHBondContact O-N 3.1Å; G220-A222 VanDerWaalsContact O-N 3.11Å; A222-W226 WeakPolarHBondContact O-CB 3.18Å; A222-W226 PolarHBondContact O-N 2.67Å
223	R	93	Very high	90.2	Very high	185 Å²	185	86.3 Å²	86.3	70%	0.698	44%	0.443	S	S	*	.	H	α-helix	trans	-72.6	-37.4	179.2	-68.5	-174.2	-176.3	157.9	-2.1	111.3	R219 G220 A221 G227	R219-R223 HydrophobicContact CB-CB 4.11Å; R219-R223 WeakPolarHBondContact O-CD 3.44Å; G220-R223 PolarHBondContact O-N 2.71Å; A221-R223 PolarHBondContact O-N 2.86Å; R223-G227 PolarHBondContact O-N 2.89Å
224	N	95.1	Very high	90.4	Very high	7 Å²	7	84.2 Å²	84.2	4%	0.037	44%	0.442	C	S	.	.	H	α-helix	trans	-65.6	-47.3	177.5	-61.9	-17.6	0	0	0	111.3	S190 N192 D218 R219 G220 A221 G227 F228	S190-N224 PolarHBondContact O-ND2 2.86Å; N192-N224 HydrophobicContact CB-CB 4.11Å; D218-N224 PolarHBondContact OD1-ND2 3.21Å; R219-N224 WeakPolarHBondContact CB-OD1 3.44Å; R219-N224 PolarHBondContact N-OD1 2.86Å; G220-N224 VanDerWaalsContact O-CG 3.32Å; G220-N224 PolarHBondContact O-N 3.17Å; G220-N224 PolarHBondContact O-ND2 2.97Å; A221-N224 PolarHBondContact O-N 2.64Å; N224-G227 PolarHBondContact O-N 3.03Å; N224-F228 WeakPolarHBondContact O-CB 3.28Å; N224-F228 PolarHBondContact O-N 3.23Å
225	L	95.1	Very high	90.5	Very high	62 Å²	62	81.3 Å²	81.3	33%	0.325	43%	0.432	S	S	.	.	H	α-helix	trans	-62	-45.3	176.5	-70.9	167.6	0	0	0	111.5	V189 A221 F228 F229	V189-L225 HydrophobicContact CG1-CD2 3.99Å; A221-L225 WeakPolarHBondContact O-CB 3.33Å; A221-L225 WeakPolarHBondContact O-CD1 3.49Å; A221-L225 VanDerWaalsContact O-CG 3.23Å; A221-L225 WeakPolarHBondContact O-CG 3.42Å; A221-L225 PolarHBondContact O-N 3.45Å; L225-F228 PolarHBondContact O-N 3.18Å; L225-F229 HydrophobicContact CD2-CD2 4.31Å; L225-F229 HydrophobicContact CD2-CE2 3.85Å; L225-F229 WeakPolarHBondContact O-CD2 3.5Å; L225-F229 PolarHBondContact O-N 3.2Å
226	W	93.6	Very high	90.5	Very high	164 Å²	164	83.5 Å²	83.5	62%	0.621	45%	0.446	S	S	*	.	H	α-helix	trans	-61.2	-44.3	175.3	178.9	-95	0	0	0	112.1	A222 F228 C230	A222-W226 WeakPolarHBondContact O-CB 3.18Å; A222-W226 PolarHBondContact O-N 2.67Å; W226-F228 PolarHBondContact O-N 3.18Å; W226-C230 HydrophobicContact CD2-CB 3.84Å; W226-C230 HydrophobicContact CE3-CB 3.96Å; W226-C230 HydrophobicContact CG-CB 4.4Å; W226-C230 HydrophobicContact CH2-CB 4.17Å; W226-C230 HydrophobicContact CZ2-CB 4.03Å; W226-C230 HydrophobicContact CZ3-CB 4.13Å; W226-C230 WeakPolarHBondContact O-CA 3.32Å; W226-C230 WeakPolarHBondContact O-CB 3.5Å; W226-C230 PolarHBondContact O-N 2.77Å
227	G	92.4	Very high	90.4	Very high	20 Å²	20	87.8 Å²	87.8	21%	0.206	46%	0.46	C	S	.	.	H	α-helix	trans	-57.8	-48.7	175.5	0	0	0	0	0	111.9	R223 N224 Q231	R223-G227 PolarHBondContact O-N 2.89Å; N224-G227 PolarHBondContact O-N 3.03Å; G227-Q231 WeakPolarHBondContact O-CB 3.2Å; G227-Q231 PolarHBondContact O-N 3.47Å
228	F	92.9	Very high	90.3	Very high	133 Å²	133	92.9 Å²	92.9	58%	0.583	48%	0.484	S	S	*	.	H	α-helix	trans	-68.7	-43.3	-176.8	-171.3	-90.9	0	0	0	113.7	V189 N224 L225 W226	V189-F228 HydrophobicContact CG1-CB 3.61Å; V189-F228 HydrophobicContact CG1-CD1 3.67Å; V189-F228 HydrophobicContact CG1-CD2 3.96Å; V189-F228 HydrophobicContact CG1-CE1 4.32Å; V189-F228 HydrophobicContact CG1-CG 3.46Å; V189-F228 VanDerWaalsContact CG1-CG 3.46Å; V189-F228 HydrophobicContact CG2-CD1 4.22Å; V189-F228 HydrophobicContact CG2-CD2 4.16Å; V189-F228 HydrophobicContact CG2-CE1 4.06Å; V189-F228 HydrophobicContact CG2-CE2 3.99Å; V189-F228 HydrophobicContact CG2-CG 4.28Å; V189-F228 HydrophobicContact CG2-CZ 3.94Å; N224-F228 WeakPolarHBondContact O-CB 3.28Å; N224-F228 PolarHBondContact O-N 3.23Å; L225-F228 PolarHBondContact O-N 3.18Å; W226-F228 PolarHBondContact O-N 3.18Å
229	F	94.3	Very high	89.9	Confident	110 Å²	110	96.9 Å²	96.9	48%	0.482	50%	0.501	S	S	.	.	H	α-helix	trans	-92.1	-21.5	-174.1	-71.9	-69.1	0	0	0	114.4	L186 V189 L225	L186-F229 HydrophobicContact CD2-CZ 4.28Å; V189-F229 HydrophobicContact CG1-CE2 4.32Å; L225-F229 HydrophobicContact CD2-CD2 4.31Å; L225-F229 HydrophobicContact CD2-CE2 3.85Å; L225-F229 WeakPolarHBondContact O-CD2 3.5Å; L225-F229 PolarHBondContact O-N 3.2Å
230	C	93.1	Very high	89.4	Confident	56 Å²	56	92.4 Å²	92.4	38%	0.378	49%	0.486	S	S	.	.	H	α-helix	trans	-123	-14.7	-169.4	-55	0	0	0	0	114.5	W226 W232	W226-C230 HydrophobicContact CD2-CB 3.84Å; W226-C230 HydrophobicContact CE3-CB 3.96Å; W226-C230 HydrophobicContact CG-CB 4.4Å; W226-C230 HydrophobicContact CH2-CB 4.17Å; W226-C230 HydrophobicContact CZ2-CB 4.03Å; W226-C230 HydrophobicContact CZ3-CB 4.13Å; W226-C230 WeakPolarHBondContact O-CA 3.32Å; W226-C230 WeakPolarHBondContact O-CB 3.5Å; W226-C230 PolarHBondContact O-N 2.77Å; C230-W232 VanDerWaalsContact O-CD1 3.3Å
231	Q	87.8	Confident	89	Confident	113 Å²	113	93.1 Å²	93.1	53%	0.528	48%	0.478	S	S	.	.			trans	-95	126	172.2	-62.8	-176.6	-20.1	0	0	110.6	G227	G227-Q231 WeakPolarHBondContact O-CB 3.2Å; G227-Q231 PolarHBondContact O-N 3.47Å
232	W	76.5	Confident	88.1	Confident	235 Å²	235	97.2 Å²	97.2	89%	0.89	49%	0.487	S	S	*	.			trans	-112.2	112.1	-178.4	-59.4	81.4	0	0	0	108.5	C230	C230-W232 VanDerWaalsContact O-CD1 3.3Å
233	G	82.4	Confident	86.7	Confident	68 Å²	68	101.8 Å²	101.8	70%	0.701	49%	0.486	S	S	*	.	S	Bend	trans	151.5	161.4	-179.1	0	0	0	0	0	112.5
234	S	83.9	Confident	85	Confident	123 Å²	123	98.6 Å²	98.6	86%	0.86	48%	0.479	S	S	*	.			trans	-73.9	130.2	173.6	-168.6	0	0	0	0	110
235	V	85.9	Confident	83	Confident	54 Å²	54	101.6 Å²	101.6	33%	0.327	51%	0.512	S	S	.	.			trans	-91.7	133.2	174.8	179.5	0	0	0	0	108.7	W237	V235-W237 HydrophobicContact CB-CD2 4.19Å; V235-W237 HydrophobicContact CB-CH2 4.45Å; V235-W237 HydrophobicContact CB-CZ2 3.9Å; V235-W237 HydrophobicContact CG1-CD2 3.91Å; V235-W237 HydrophobicContact CG1-CE3 4.03Å; V235-W237 HydrophobicContact CG1-CG 4.44Å; V235-W237 HydrophobicContact CG1-CH2 4.33Å; V235-W237 HydrophobicContact CG1-CZ2 4.19Å; V235-W237 HydrophobicContact CG1-CZ3 4.24Å; V235-W237 HydrophobicContact CG2-CZ2 4.26Å; V235-W237 VanDerWaalsContact O-CD1 3.24Å; V235-W237 PolarHBondContact O-N 3.41Å
236	V	89.8	Confident	80.7	Confident	80 Å²	80	102.3 Å²	102.3	49%	0.485	52%	0.522	S	S	.	.			trans	-82	90.9	171.2	-174.4	0	0	0	0	108.1	E238 Q239 A240	V236-E238 VanDerWaalsContact C-N 3.25Å; V236-E238 WeakPolarHBondContact CG1-OE2 3.17Å; V236-E238 PolarHBondContact O-N 2.9Å; V236-Q239 HydrophobicContact CB-CG 4.44Å; V236-Q239 HydrophobicContact CG1-CB 4.49Å; V236-Q239 HydrophobicContact CG1-CG 3.95Å; V236-Q239 PolarHBondContact O-N 2.97Å; V236-A240 PolarHBondContact O-N 3.49Å
237	W	87.6	Confident	78	Confident	107 Å²	107	102 Å²	102	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-66.5	-24.5	-171.2	-66.5	106.1	0	0	0	113.6	F217 V235 Q239 A240 Y241	F217-W237 AromaticContact CD1-CE3 3.85Å; F217-W237 HydrophobicContact CD1-CE3 3.85Å; F217-W237 HydrophobicContact CD1-CZ3 4.33Å; F217-W237 HydrophobicContact CE1-CB 4.34Å; F217-W237 HydrophobicContact CE1-CE3 4.21Å; V235-W237 HydrophobicContact CB-CD2 4.19Å; V235-W237 HydrophobicContact CB-CH2 4.45Å; V235-W237 HydrophobicContact CB-CZ2 3.9Å; V235-W237 HydrophobicContact CG1-CD2 3.91Å; V235-W237 HydrophobicContact CG1-CE3 4.03Å; V235-W237 HydrophobicContact CG1-CG 4.44Å; V235-W237 HydrophobicContact CG1-CH2 4.33Å; V235-W237 HydrophobicContact CG1-CZ2 4.19Å; V235-W237 HydrophobicContact CG1-CZ3 4.24Å; V235-W237 HydrophobicContact CG2-CZ2 4.26Å; V235-W237 VanDerWaalsContact O-CD1 3.24Å; V235-W237 PolarHBondContact O-N 3.41Å; W237-Q239 VanDerWaalsContact C-N 3.32Å; W237-Q239 PolarHBondContact O-N 3.45Å; W237-A240 HydrophobicContact CE3-CB 4.26Å; W237-A240 WeakPolarHBondContact O-CB 3.48Å; W237-A240 PolarHBondContact O-N 2.97Å; W237-A240 VanDerWaalsContact O-N 3.13Å; W237-Y241 WeakPolarHBondContact O-CB 3.16Å; W237-Y241 PolarHBondContact O-N 2.9Å
238	E	89.1	Confident	75.4	Confident	122 Å²	122	106.6 Å²	106.6	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-60.1	-43.7	173.7	-61.4	80.2	-179.7	0	0	110.8	V236 A240 Y241 F242	V236-E238 VanDerWaalsContact C-N 3.25Å; V236-E238 WeakPolarHBondContact CG1-OE2 3.17Å; V236-E238 PolarHBondContact O-N 2.9Å; E238-A240 VanDerWaalsContact C-N 3.29Å; E238-A240 PolarHBondContact O-N 2.97Å; E238-Y241 PolarHBondContact O-N 2.77Å; E238-F242 HydrophobicContact CB-CE2 4.45Å; E238-F242 WeakPolarHBondContact O-CD2 3.3Å; E238-F242 PolarHBondContact O-N 2.93Å; E238-F242 VanDerWaalsContact O-N 3.13Å
239	Q	84.4	Confident	72.8	Confident	127 Å²	127	110.4 Å²	110.4	59%	0.593	59%	0.592	S	S	*	*	H	α-helix	trans	-69	-28.9	176.8	-67.1	-177.3	-0.2	0	0	112.6	V236 W237 R243	V236-Q239 HydrophobicContact CB-CG 4.44Å; V236-Q239 HydrophobicContact CG1-CB 4.49Å; V236-Q239 HydrophobicContact CG1-CG 3.95Å; V236-Q239 PolarHBondContact O-N 2.97Å; W237-Q239 VanDerWaalsContact C-N 3.32Å; W237-Q239 PolarHBondContact O-N 3.45Å; Q239-R243 WeakPolarHBondContact O-CB 3.43Å
240	A	80.1	Confident	71.7	Confident	6 Å²	6	110.4 Å²	110.4	5%	0.05	60%	0.598	C	S	.	*	H	α-helix	trans	-70.7	-42.8	174.6	0	0	0	0	0	111	F217 R219 V236 W237 E238 R243	F217-A240 HydrophobicContact CD1-CB 4.33Å; R219-A240 VanDerWaalsContact NH2-CB 3.26Å; V236-A240 PolarHBondContact O-N 3.49Å; W237-A240 HydrophobicContact CE3-CB 4.26Å; W237-A240 WeakPolarHBondContact O-CB 3.48Å; W237-A240 PolarHBondContact O-N 2.97Å; W237-A240 VanDerWaalsContact O-N 3.13Å; E238-A240 VanDerWaalsContact C-N 3.29Å; E238-A240 PolarHBondContact O-N 2.97Å; A240-R243 PolarHBondContact O-N 3.41Å
241	Y	82.4	Confident	70.6	Confident	50 Å²	50	113.3 Å²	113.3	20%	0.196	61%	0.61	C	S	.	*	H	α-helix	trans	-63.2	-46	-179.8	-175.9	-91	0	0	0	112.6	Y206 P216 F217 W237 E238 R243	Y206-Y241 HydrophobicContact CD2-CD2 4.4Å; Y206-Y241 HydrophobicContact CD2-CE2 4.07Å; Y206-Y241 HydrophobicContact CG-CE2 4.49Å; Y206-Y241 PolarHBondContact O-OH 3.28Å; P216-Y241 HydrophobicContact CB-CD2 3.94Å; P216-Y241 HydrophobicContact CB-CE2 4.07Å; P216-Y241 HydrophobicContact CG-CD2 3.77Å; P216-Y241 HydrophobicContact CG-CE2 3.7Å; F217-Y241 HydrophobicContact CE1-CD2 4.13Å; F217-Y241 HydrophobicContact CE2-CD2 4.37Å; F217-Y241 AromaticContact CZ-CD2 3.72Å; F217-Y241 HydrophobicContact CZ-CD2 3.72Å; F217-Y241 HydrophobicContact CZ-CG 4.43Å; W237-Y241 WeakPolarHBondContact O-CB 3.16Å; W237-Y241 PolarHBondContact O-N 2.9Å; E238-Y241 PolarHBondContact O-N 2.77Å; Y241-R243 VanDerWaalsContact C-N 3.32Å; Y241-R243 PolarHBondContact O-N 3.38Å
242	F	76.8	Confident	69.6	Low	139 Å²	139	113.3 Å²	113.3	61%	0.61	61%	0.614	S	S	*	*	H	α-helix	trans	-77.3	-13.9	-178	-66.9	-63.1	0	0	0	114.5	E238 E244 G245 S246	E238-F242 HydrophobicContact CB-CE2 4.45Å; E238-F242 WeakPolarHBondContact O-CD2 3.3Å; E238-F242 PolarHBondContact O-N 2.93Å; E238-F242 VanDerWaalsContact O-N 3.13Å; F242-E244 VanDerWaalsContact C-N 3.3Å; F242-E244 PolarHBondContact O-N 3.4Å; F242-G245 PolarHBondContact O-N 3.05Å; F242-S246 PolarHBondContact O-OG 2.86Å
243	R	64.3	Low	69.2	Low	177 Å²	177	106.1 Å²	106.1	67%	0.668	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-22.6	-177.6	-161	-177.3	-70.3	-162.2	-3.1	113.2	Q239 A240 Y241	Q239-R243 WeakPolarHBondContact O-CB 3.43Å; A240-R243 PolarHBondContact O-N 3.41Å; Y241-R243 VanDerWaalsContact C-N 3.32Å; Y241-R243 PolarHBondContact O-N 3.38Å
244	E	56.7	Low	68.4	Low	117 Å²	117	108.5 Å²	108.5	55%	0.547	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.6	-13.8	175.8	-71.4	-171	174.8	0	0	113.4	F242 S246	F242-E244 VanDerWaalsContact C-N 3.3Å; F242-E244 PolarHBondContact O-N 3.4Å; E244-S246 VanDerWaalsContact C-N 3.26Å; E244-S246 PolarHBondContact O-N 3.44Å
245	G	53.6	Low	67.4	Low	70 Å²	70	107.5 Å²	107.5	72%	0.722	57%	0.573	S	S	*	*	S	Bend	trans	-84.2	9.1	176.2	0	0	0	0	0	114.9	F242	F242-G245 PolarHBondContact O-N 3.05Å
246	S	46.2	Very low	66.1	Low	77 Å²	77	111.4 Å²	111.4	54%	0.538	59%	0.591	S	S	.	*			trans	-128	58.5	-173.4	63.5	0	0	0	0	112.3	F242 E244	F242-S246 PolarHBondContact O-OG 2.86Å; E244-S246 VanDerWaalsContact C-N 3.26Å; E244-S246 PolarHBondContact O-N 3.44Å
247	D	38.4	Very low	64.2	Low	157 Å²	157	113.8 Å²	113.8	84%	0.84	60%	0.599	S	S	*	*			trans	-88	110.2	146	-84.4	-20.1	0	0	0	106.9	V249	D247-V249 PolarHBondContact O-N 3.28Å
248	P	37.5	Very low	62.3	Low	118 Å²	118	114.3 Å²	114.3	77%	0.766	62%	0.615	S	S	*	*			trans	-71.4	125.9	173.8	29.2	-29.1	0	0	0	108.6
249	V	37.9	Very low	59.8	Low	212 Å²	212	113.6 Å²	113.6	100%	1.285	62%	0.619	S	S	*	*			trans	-65.9	0	157.9	178.1	0	0	0	0	109.1	D247	D247-V249 PolarHBondContact O-N 3.28Å

Retrieved 249 of 249 residues in 57.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).