A0A087Y5F4_POEFO Loading...

N-terminal E2 ubiquitin-conjugating enzyme

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. Catalyzes monoubiquitination. Involved in degradation of misfolded chaperone substrate and DNA repair.

AlphaFold DB (A0A3B3IBX7), UniProt , Accession A0A087Y5F4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 151 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.4	Very low	79.7	Confident	230 Å²	230	90.4 Å²	90.4	100%	1.133	45%	0.452	S	S	*	.				0	124.2	0	-66.7	-158.6	-86.3	0	0	108.5	S3	M1-S3 PolarHBondContact O-N 3.06Å
2	A	57.1	Low	80.3	Confident	71 Å²	71	85.3 Å²	85.3	59%	0.587	43%	0.428	S	S	*	.			trans	-69.1	126.7	172.1	0	0	0	0	0	108.1
3	S	78.4	Confident	80.9	Confident	64 Å²	64	86.1 Å²	86.1	45%	0.448	43%	0.433	S	S	.	.			trans	-62.2	145.6	172.7	62.3	0	0	0	0	109.2	M1 Q5 K6 R7	M1-S3 PolarHBondContact O-N 3.06Å; S3-Q5 PolarHBondContact O-N 3.43Å; S3-Q5 VanDerWaalsContact O-N 3.12Å; S3-K6 WeakPolarHBondContact O-CB 3.27Å; S3-K6 PolarHBondContact O-N 3.36Å; S3-K6 WeakPolarHBondContact OG-CB 3.47Å; S3-K6 PolarHBondContact OG-N 2.91Å; S3-R7 PolarHBondContact O-N 3.41Å
4	M	83.9	Confident	81.3	Confident	40 Å²	40	82.8 Å²	82.8	20%	0.197	43%	0.426	C	S	.	.	H	α-helix	trans	-46.8	-42.6	175.9	171.9	-89.5	-85.3	0	0	111.4	K6 R7 L8 T35 Y64	M4-K6 PolarHBondContact O-N 2.95Å; M4-R7 WeakPolarHBondContact O-CB 3.49Å; M4-R7 PolarHBondContact O-N 3.44Å; M4-L8 HydrophobicContact CG-CD1 4.28Å; M4-L8 WeakPolarHBondContact O-CG 3.43Å; M4-L8 PolarHBondContact O-N 3.27Å; M4-L8 HydrophobicContact SD-CD1 3.37Å; M4-L8 WeakPolarHBondContact SD-CD1 3.46Å; M4-L8 HydrophobicContact SD-CG 4.1Å; M4-T35 HydrophobicContact CE-CG2 3.98Å; M4-Y64 VanDerWaalsContact CB-O 3.29Å; M4-Y64 WeakPolarHBondContact CB-O 3.36Å; M4-Y64 HydrophobicContact CG-CD1 4.44Å; M4-Y64 WeakPolarHBondContact CG-O 3.35Å
5	Q	83.1	Confident	81.7	Confident	116 Å²	116	78 Å²	78	54%	0.542	40%	0.401	S	S	.	.	H	α-helix	trans	-61.1	-44.7	176.8	-68.6	168.1	-27.2	0	0	113.1	S3 R7 L8 Q9	S3-Q5 PolarHBondContact O-N 3.43Å; S3-Q5 VanDerWaalsContact O-N 3.12Å; Q5-R7 VanDerWaalsContact C-N 3.28Å; Q5-R7 PolarHBondContact O-N 3.26Å; Q5-L8 PolarHBondContact O-N 3.04Å; Q5-Q9 WeakPolarHBondContact O-CB 3.26Å; Q5-Q9 WeakPolarHBondContact O-CG 3.36Å; Q5-Q9 PolarHBondContact O-N 3.41Å
6	K	86.7	Confident	81.9	Confident	144 Å²	144	78.2 Å²	78.2	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-64.2	-36.5	178	-170.6	177.1	-176.5	176.6	0	111.3	S3 M4 K10	S3-K6 WeakPolarHBondContact O-CB 3.27Å; S3-K6 PolarHBondContact O-N 3.36Å; S3-K6 WeakPolarHBondContact OG-CB 3.47Å; S3-K6 PolarHBondContact OG-N 2.91Å; M4-K6 PolarHBondContact O-N 2.95Å; K6-K10 PolarHBondContact O-N 3.37Å
7	R	88.1	Confident	82.2	Confident	50 Å²	50	81.3 Å²	81.3	19%	0.189	42%	0.417	C	S	.	.	H	α-helix	trans	-65.8	-48.9	175	177.8	63.1	-173.5	-91.1	-17.1	111.3	S3 M4 Q5 Q9 K10 E11 Y64 P65 P101 L103	S3-R7 PolarHBondContact O-N 3.41Å; M4-R7 WeakPolarHBondContact O-CB 3.49Å; M4-R7 PolarHBondContact O-N 3.44Å; Q5-R7 VanDerWaalsContact C-N 3.28Å; Q5-R7 PolarHBondContact O-N 3.26Å; R7-Q9 PolarHBondContact O-N 2.8Å; R7-K10 PolarHBondContact O-N 3.23Å; R7-E11 IonicContact CZ-OE1 2.8Å; R7-E11 IonicContact NE-OE1 3.85Å; R7-E11 PolarHBondContact NE-OE1 3.13Å; R7-E11 IonicContact NH2-OE1 2.74Å; R7-E11 PolarHBondContact NH2-OE1 3.46Å; R7-E11 PolarHBondContact O-N 3.21Å; R7-Y64 HydrophobicContact CG-CD1 4.27Å; R7-Y64 HydrophobicContact CG-CE1 3.75Å; R7-P65 HydrophobicContact CG-CB 4.31Å; R7-P65 HydrophobicContact CG-CG 4.15Å; R7-P101 PolarHBondContact NH1-O 2.92Å; R7-P101 PolarHBondContact NH2-O 3.41Å; R7-L103 PolarHBondContact NH2-O 2.82Å
8	L	88	Confident	82.4	Confident	1 Å²	1	83 Å²	83	1%	0.005	43%	0.427	C	S	.	.	H	α-helix	trans	-61.5	-42.7	177.7	-71.3	-176.8	0	0	0	112.3	M4 Q5 K10 E11 L12 I34 W37 F60 Y64	M4-L8 HydrophobicContact CG-CD1 4.28Å; M4-L8 WeakPolarHBondContact O-CG 3.43Å; M4-L8 PolarHBondContact O-N 3.27Å; M4-L8 HydrophobicContact SD-CD1 3.37Å; M4-L8 WeakPolarHBondContact SD-CD1 3.46Å; M4-L8 HydrophobicContact SD-CG 4.1Å; Q5-L8 PolarHBondContact O-N 3.04Å; L8-K10 VanDerWaalsContact C-N 3.3Å; L8-K10 PolarHBondContact O-N 3.2Å; L8-E11 PolarHBondContact O-N 3.04Å; L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 2.8Å; L8-I34 HydrophobicContact CB-CG2 4.35Å; L8-I34 HydrophobicContact CD1-CG2 4Å; L8-W37 HydrophobicContact CB-CH2 4.4Å; L8-W37 HydrophobicContact CB-CZ2 3.93Å; L8-W37 HydrophobicContact CD2-CH2 4.22Å; L8-W37 HydrophobicContact CD2-CZ2 4.08Å; L8-W37 HydrophobicContact CG-CZ2 4.48Å; L8-W37 VanDerWaalsContact O-CH2 3.26Å; L8-W37 WeakPolarHBondContact O-CH2 3.49Å; L8-F60 HydrophobicContact CD1-CB 4.15Å; L8-F60 HydrophobicContact CD1-CD2 4.01Å; L8-F60 HydrophobicContact CD1-CG 3.99Å; L8-F60 HydrophobicContact CD2-CD1 3.49Å; L8-F60 VanDerWaalsContact CD2-CD1 3.49Å; L8-F60 HydrophobicContact CD2-CD2 3.87Å; L8-F60 HydrophobicContact CD2-CE1 3.5Å; L8-F60 HydrophobicContact CD2-CE2 3.92Å; L8-F60 HydrophobicContact CD2-CG 3.68Å; L8-F60 HydrophobicContact CD2-CZ 3.73Å; L8-F60 HydrophobicContact CG-CG 4.49Å; L8-Y64 HydrophobicContact CD2-CD1 3.66Å; L8-Y64 HydrophobicContact CD2-CE1 3.53Å; L8-Y64 HydrophobicContact CG-CD1 4.12Å; L8-Y64 HydrophobicContact CG-CE1 4.33Å
9	Q	86.9	Confident	82.6	Confident	107 Å²	107	81.5 Å²	81.5	50%	0.5	42%	0.424	S	S	.	.	H	α-helix	trans	-59.4	-41	175.3	-77.1	175.9	-27.3	0	0	112.4	Q5 R7 L12 L13	Q5-Q9 WeakPolarHBondContact O-CB 3.26Å; Q5-Q9 WeakPolarHBondContact O-CG 3.36Å; Q5-Q9 PolarHBondContact O-N 3.41Å; R7-Q9 PolarHBondContact O-N 2.8Å; Q9-L12 WeakPolarHBondContact O-CB 3.29Å; Q9-L12 PolarHBondContact O-N 2.66Å; Q9-L13 WeakPolarHBondContact O-CD1 3.4Å; Q9-L13 PolarHBondContact O-N 3.07Å
10	K	88.6	Confident	82.7	Confident	159 Å²	159	77.8 Å²	77.8	69%	0.691	41%	0.405	S	S	*	.	H	α-helix	trans	-64.1	-42.3	176.9	-172	-179.4	178	-174.6	0	111.7	K6 R7 L8 A14	K6-K10 PolarHBondContact O-N 3.37Å; R7-K10 PolarHBondContact O-N 3.23Å; L8-K10 VanDerWaalsContact C-N 3.3Å; L8-K10 PolarHBondContact O-N 3.2Å; K10-A14 PolarHBondContact O-N 2.87Å
11	E	88.9	Confident	82.7	Confident	12 Å²	12	79.6 Å²	79.6	6%	0.056	42%	0.421	C	S	.	.	H	α-helix	trans	-70	-35.6	177.7	-70.5	-171.8	-140.9	0	0	112.7	R7 L8 A14 L15 W37 Y64 V105	R7-E11 IonicContact CZ-OE1 2.8Å; R7-E11 IonicContact NE-OE1 3.85Å; R7-E11 PolarHBondContact NE-OE1 3.13Å; R7-E11 IonicContact NH2-OE1 2.74Å; R7-E11 PolarHBondContact NH2-OE1 3.46Å; R7-E11 PolarHBondContact O-N 3.21Å; L8-E11 PolarHBondContact O-N 3.04Å; E11-A14 PolarHBondContact O-N 3.32Å; E11-L15 WeakPolarHBondContact O-CG 3.47Å; E11-L15 PolarHBondContact O-N 3.41Å; E11-W37 HydrophobicContact CB-CH2 4.04Å; E11-W37 HydrophobicContact CB-CZ3 4.35Å; E11-Y64 PolarHBondContact OE1-OH 2.91Å; E11-Y64 PolarHBondContact OE2-OH 2.62Å; E11-V105 WeakPolarHBondContact OE2-CB 3.37Å; E11-V105 WeakPolarHBondContact OE2-CG2 2.85Å; E11-V105 PolarHBondContact OE2-N 2.84Å
12	L	86.7	Confident	84.4	Confident	30 Å²	30	70.6 Å²	70.6	16%	0.157	39%	0.388	C	S	.	.	H	α-helix	trans	-59.2	-51.2	174.4	-172.7	78.6	0	0	0	110.5	L8 Q9 A14 L15 Q16 L25 V30 W37	L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 2.8Å; Q9-L12 WeakPolarHBondContact O-CB 3.29Å; Q9-L12 PolarHBondContact O-N 2.66Å; L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 2.91Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-Q16 WeakPolarHBondContact O-CB 3.46Å; L12-Q16 WeakPolarHBondContact O-CG 3.46Å; L12-Q16 PolarHBondContact O-N 3.07Å; L12-L25 HydrophobicContact CD1-CD2 3.3Å; L12-L25 HydrophobicContact CG-CD2 4.25Å; L12-V30 HydrophobicContact CD1-CB 4.36Å; L12-V30 HydrophobicContact CD1-CG1 3.71Å; L12-V30 HydrophobicContact CD1-CG2 3.91Å; L12-V30 HydrophobicContact CD2-CG1 4Å; L12-W37 HydrophobicContact CB-CH2 3.83Å; L12-W37 HydrophobicContact CB-CZ2 3.97Å; L12-W37 HydrophobicContact CD1-CD2 4.42Å; L12-W37 HydrophobicContact CD1-CH2 4.08Å; L12-W37 HydrophobicContact CD1-CZ2 3.83Å; L12-W37 HydrophobicContact CD1-CZ3 4.48Å
13	L	87.6	Confident	85.8	Confident	95 Å²	95	67.6 Å²	67.6	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-40.3	176.3	-83	156	0	0	0	111.7	Q9 Q16 N17	Q9-L13 WeakPolarHBondContact O-CD1 3.4Å; Q9-L13 PolarHBondContact O-N 3.07Å; L13-Q16 PolarHBondContact O-N 3.49Å; L13-N17 VanDerWaalsContact O-CB 3.27Å; L13-N17 WeakPolarHBondContact O-CB 3.32Å; L13-N17 PolarHBondContact O-N 3.49Å; L13-N17 PolarHBondContact O-ND2 3.33Å
14	A	87.4	Confident	86.3	Confident	40 Å²	40	68.8 Å²	68.8	33%	0.331	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-46.1	176.8	0	0	0	0	0	111.6	K10 E11 L12 N17 D18	K10-A14 PolarHBondContact O-N 2.87Å; E11-A14 PolarHBondContact O-N 3.32Å; L12-A14 VanDerWaalsContact C-N 3.3Å; L12-A14 PolarHBondContact O-N 2.91Å; A14-N17 PolarHBondContact O-N 2.92Å; A14-D18 PolarHBondContact O-N 3.12Å
15	L	86.1	Confident	86.5	Confident	11 Å²	11	67.8 Å²	67.8	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-68.6	-32.3	177.7	-71.1	171.8	0	0	0	113.4	E11 L12 P19 W37 V105 Q106	E11-L15 WeakPolarHBondContact O-CG 3.47Å; E11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3.24Å; L15-P19 WeakPolarHBondContact O-CA 3.44Å; L15-P19 VanDerWaalsContact O-CB 3.3Å; L15-P19 WeakPolarHBondContact O-CB 3.3Å; L15-P19 WeakPolarHBondContact O-CD 3.4Å; L15-W37 HydrophobicContact CD1-CE3 4.16Å; L15-W37 HydrophobicContact CD1-CZ3 3.77Å; L15-V105 HydrophobicContact CD1-CB 4.13Å; L15-V105 HydrophobicContact CD1-CG1 3.63Å; L15-Q106 HydrophobicContact CD2-CB 3.87Å; L15-Q106 HydrophobicContact CD2-CG 4.14Å
16	Q	84.7	Confident	86.5	Confident	81 Å²	81	64.4 Å²	64.4	38%	0.379	35%	0.347	S	S	.	.	H	α-helix	trans	-72	-38.7	175.2	-77.4	-179	-46	0	0	111.9	L12 L13 L25 E27	L12-Q16 WeakPolarHBondContact O-CB 3.46Å; L12-Q16 WeakPolarHBondContact O-CG 3.46Å; L12-Q16 PolarHBondContact O-N 3.07Å; L13-Q16 PolarHBondContact O-N 3.49Å; Q16-L25 HydrophobicContact CG-CD2 4.19Å; Q16-E27 PolarHBondContact NE2-OE1 3.38Å
17	N	87	Confident	85.6	Confident	131 Å²	131	62.8 Å²	62.8	70%	0.701	34%	0.342	S	S	*	.	H	α-helix	trans	-77.3	-39.5	-178.7	-71.7	-30	0	0	0	112.6	L13 A14	L13-N17 VanDerWaalsContact O-CB 3.27Å; L13-N17 WeakPolarHBondContact O-CB 3.32Å; L13-N17 PolarHBondContact O-N 3.49Å; L13-N17 PolarHBondContact O-ND2 3.33Å; A14-N17 PolarHBondContact O-N 2.92Å
18	D	85.8	Confident	84.4	Confident	112 Å²	112	68.1 Å²	68.1	60%	0.599	37%	0.367	S	S	*	.	S	Bend	trans	-144.1	72.6	-175.3	-171.2	37.4	0	0	0	110.9	A14 Q106	A14-D18 PolarHBondContact O-N 3.12Å; D18-Q106 PolarHBondContact O-NE2 3.46Å
19	P	86.3	Confident	83.3	Confident	55 Å²	55	69.1 Å²	69.1	36%	0.357	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68.2	145	176.7	26.8	-31.6	0	0	0	110.9	L15 M23	L15-P19 WeakPolarHBondContact O-CA 3.44Å; L15-P19 VanDerWaalsContact O-CB 3.3Å; L15-P19 WeakPolarHBondContact O-CB 3.3Å; L15-P19 WeakPolarHBondContact O-CD 3.4Å; P19-M23 WeakPolarHBondContact CB-O 3.42Å
20	P	85.6	Confident	82.2	Confident	6 Å²	6	64.9 Å²	64.9	4%	0.039	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-53.7	146.8	170.7	-26.5	35.3	0	0	0	112.2	G22 M23 Q106 C109 L110 I113	P20-G22 PolarHBondContact O-N 2.87Å; P20-M23 HydrophobicContact CB-CB 4.3Å; P20-M23 HydrophobicContact CB-CG 4.43Å; P20-M23 HydrophobicContact CB-SD 4.24Å; P20-M23 HydrophobicContact CG-SD 4.48Å; P20-M23 PolarHBondContact O-N 2.66Å; P20-Q106 HydrophobicContact CG-CG 3.79Å; P20-C109 HydrophobicContact CG-CB 4.29Å; P20-L110 HydrophobicContact CB-CD2 3.88Å; P20-L110 HydrophobicContact CB-CG 4.46Å; P20-L110 HydrophobicContact CG-CD2 4.23Å; P20-L110 HydrophobicContact CG-CG 4.3Å; P20-I113 HydrophobicContact CB-CD1 4.02Å
21	P	81.9	Confident	80.7	Confident	117 Å²	117	65.1 Å²	65.1	76%	0.76	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	130	177	-25.6	33.7	0	0	0	111.8	M23	P21-M23 VanDerWaalsContact C-N 3.26Å; P21-M23 PolarHBondContact O-N 2.73Å
22	G	83.3	Confident	79.3	Confident	41 Å²	41	71.3 Å²	71.3	42%	0.423	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	7.4	-178	0	0	0	0	0	114.5	P20 M41 E42	P20-G22 PolarHBondContact O-N 2.87Å; G22-M41 CarbonylContact O-C 3.47Å; G22-M41 WeakPolarHBondContact O-CA 3.3Å; G22-E42 PolarHBondContact O-N 3.45Å
23	M	87.8	Confident	78.5	Confident	7 Å²	7	72.8 Å²	72.8	3%	0.034	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145	174.4	-63.6	-174.7	79.3	0	0	111.7	P19 P20 P21 V39 D40 M41 L56 C109 I113	P19-M23 WeakPolarHBondContact CB-O 3.42Å; P20-M23 HydrophobicContact CB-CB 4.3Å; P20-M23 HydrophobicContact CB-CG 4.43Å; P20-M23 HydrophobicContact CB-SD 4.24Å; P20-M23 HydrophobicContact CG-SD 4.48Å; P20-M23 PolarHBondContact O-N 2.66Å; P21-M23 VanDerWaalsContact C-N 3.26Å; P21-M23 PolarHBondContact O-N 2.73Å; M23-V39 HydrophobicContact CB-CG1 4.2Å; M23-V39 HydrophobicContact CE-CB 4.37Å; M23-V39 HydrophobicContact CE-CG1 3.52Å; M23-D40 CarbonylContact C-O 3.5Å; M23-D40 VanDerWaalsContact CA-O 3.24Å; M23-D40 WeakPolarHBondContact CA-O 3.34Å; M23-M41 HydrophobicContact CE-CB 4.35Å; M23-M41 HydrophobicContact CE-CE 3.33Å; M23-M41 HydrophobicContact CG-CB 4.26Å; M23-M41 HydrophobicContact CG-CE 4.18Å; M23-M41 HydrophobicContact CG-CG 4.26Å; M23-M41 HydrophobicContact SD-CE 3.51Å; M23-M41 VanDerWaalsContact SD-CE 3.51Å; M23-L56 HydrophobicContact CE-CD1 3.63Å; M23-C109 HydrophobicContact CE-CB 3.55Å; M23-C109 WeakPolarHBondContact CE-SG 3.43Å; M23-C109 HydrophobicContact SD-CB 3.48Å; M23-C109 WeakPolarHBondContact SD-CB 3.39Å; M23-I113 HydrophobicContact CG-CD1 3.81Å; M23-I113 HydrophobicContact CG-CG1 4.36Å; M23-I113 HydrophobicContact SD-CD1 3.32Å; M23-I113 WeakPolarHBondContact SD-CD1 3.22Å; M23-I113 HydrophobicContact SD-CG1 3.74Å
24	T	88.8	Confident	77.8	Confident	90 Å²	90	72 Å²	72	55%	0.552	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	129.8	178.2	-56	0	0	0	0	109.5	V39 D40	T24-V39 CarbonylContact O-C 3.59Å; T24-D40 PolarHBondContact N-O 2.89Å; T24-D40 PolarHBondContact O-N 3.33Å
25	L	88.1	Confident	77.4	Confident	18 Å²	18	72.3 Å²	72.3	9%	0.094	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.4	177	179.2	72.9	0	0	0	110.2	L12 Q16 E27 V30 W37 V39	L12-L25 HydrophobicContact CD1-CD2 3.3Å; L12-L25 HydrophobicContact CG-CD2 4.25Å; Q16-L25 HydrophobicContact CG-CD2 4.19Å; L25-E27 PolarHBondContact O-N 2.96Å; L25-V30 HydrophobicContact CD1-CG2 4.31Å; L25-V30 HydrophobicContact CD2-CG2 4.32Å; L25-V30 HydrophobicContact CG-CG2 4.42Å; L25-W37 HydrophobicContact CD1-CB 4.05Å; L25-W37 HydrophobicContact CD1-CD2 4.4Å; L25-W37 HydrophobicContact CD1-CE3 4.18Å; L25-W37 HydrophobicContact CD1-CG 4.38Å; L25-V39 HydrophobicContact CD1-CG2 3.95Å
26	N	82.6	Confident	77.4	Confident	46 Å²	46	75.2 Å²	75.2	25%	0.246	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	98.7	176.4	-164.6	-42.5	0	0	0	110.9	K28 S29 I38	N26-K28 PolarHBondContact O-N 3.46Å; N26-K28 WeakPolarHBondContact OD1-CB 3.37Å; N26-K28 PolarHBondContact OD1-N 2.93Å; N26-S29 WeakPolarHBondContact O-CB 3.34Å; N26-S29 PolarHBondContact O-N 2.92Å; N26-I38 HydrophobicContact CB-CB 4.04Å; N26-I38 HydrophobicContact CB-CG2 4.14Å; N26-I38 VanDerWaalsContact CB-O 3.28Å; N26-I38 WeakPolarHBondContact CB-O 3.09Å; N26-I38 PolarHBondContact N-O 2.8Å
27	E	67.3	Low	77.7	Confident	109 Å²	109	71.4 Å²	71.4	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-60	-28.6	-175.6	-56.7	-169.1	149	0	0	113.7	Q16 L25 S29 V30 Q31	Q16-E27 PolarHBondContact NE2-OE1 3.38Å; L25-E27 PolarHBondContact O-N 2.96Å; E27-S29 VanDerWaalsContact C-N 3.27Å; E27-S29 PolarHBondContact O-N 3.29Å; E27-V30 PolarHBondContact O-N 2.95Å; E27-V30 VanDerWaalsContact O-N 3.16Å; E27-Q31 PolarHBondContact O-N 2.88Å
28	K	63.7	Low	77.9	Confident	163 Å²	163	67.3 Å²	67.3	71%	0.709	37%	0.369	S	S	*	.	H	α-helix	trans	-66.6	-29.4	177.9	-65.1	-175.9	179.1	178.8	0	112.5	N26 V30	N26-K28 PolarHBondContact O-N 3.46Å; N26-K28 WeakPolarHBondContact OD1-CB 3.37Å; N26-K28 PolarHBondContact OD1-N 2.93Å; K28-V30 VanDerWaalsContact C-N 3.35Å
29	S	64.6	Low	78.1	Confident	22 Å²	22	62.2 Å²	62.2	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-68	-38.2	174	-175.7	0	0	0	0	111.4	N26 E27 Q36 I38	N26-S29 WeakPolarHBondContact O-CB 3.34Å; N26-S29 PolarHBondContact O-N 2.92Å; E27-S29 VanDerWaalsContact C-N 3.27Å; E27-S29 PolarHBondContact O-N 3.29Å; S29-Q36 PolarHBondContact OG-O 3.43Å; S29-Q36 VanDerWaalsContact OG-O 3.07Å; S29-I38 PolarHBondContact OG-N 3.26Å
30	V	63.4	Low	78.4	Confident	18 Å²	18	62 Å²	62	11%	0.109	34%	0.338	C	S	.	.	H	α-helix	trans	-76.2	-32.6	-172.9	-172.9	0	0	0	0	112	L12 L25 E27 K28 N32 W37	L12-V30 HydrophobicContact CD1-CB 4.36Å; L12-V30 HydrophobicContact CD1-CG1 3.71Å; L12-V30 HydrophobicContact CD1-CG2 3.91Å; L12-V30 HydrophobicContact CD2-CG1 4Å; L25-V30 HydrophobicContact CD1-CG2 4.31Å; L25-V30 HydrophobicContact CD2-CG2 4.32Å; L25-V30 HydrophobicContact CG-CG2 4.42Å; E27-V30 PolarHBondContact O-N 2.95Å; E27-V30 VanDerWaalsContact O-N 3.16Å; K28-V30 VanDerWaalsContact C-N 3.35Å; V30-N32 VanDerWaalsContact C-N 3.31Å; V30-N32 PolarHBondContact O-N 3.1Å; V30-W37 HydrophobicContact CG2-CG 4.05Å
31	Q	58.1	Low	78.7	Confident	163 Å²	163	62 Å²	62	76%	0.762	34%	0.337	S	S	*	.	H	α-helix	trans	-63.8	-31.9	179.8	-77.5	-179.6	-12.1	0	0	113.7	E27	E27-Q31 PolarHBondContact O-N 2.88Å
32	N	59.6	Low	79.1	Confident	143 Å²	143	60.9 Å²	60.9	77%	0.765	32%	0.322	S	S	*	.	H	α-helix	trans	-85.1	-34.5	-179.3	-78.5	-39.1	0	0	0	112.8	V30	V30-N32 VanDerWaalsContact C-N 3.31Å; V30-N32 PolarHBondContact O-N 3.1Å
33	T	68.4	Low	79.4	Confident	61 Å²	61	59.3 Å²	59.3	37%	0.374	31%	0.305	S	S	.	.			trans	-155.7	109.2	-176.9	-66.1	0	0	0	0	110.4	T35 Q36	T33-T35 WeakPolarHBondContact CG2-OG1 3.38Å; T33-T35 PolarHBondContact O-N 3.45Å; T33-Q36 HydrophobicContact CG2-CB 4.41Å; T33-Q36 HydrophobicContact CG2-CG 4.38Å; T33-Q36 PolarHBondContact O-N 3.19Å
34	I	73.1	Confident	79.4	Confident	77 Å²	77	60.3 Å²	60.3	40%	0.395	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.2	179	-65.6	168.1	0	0	0	112.2	L8 W37	L8-I34 HydrophobicContact CB-CG2 4.35Å; L8-I34 HydrophobicContact CD1-CG2 4Å; I34-W37 PolarHBondContact O-NE1 3.33Å
35	T	79.1	Confident	79.3	Confident	48 Å²	48	61.4 Å²	61.4	29%	0.294	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.2	-178.9	62.1	0	0	0	0	114.5	M4 T33 F60	M4-T35 HydrophobicContact CE-CG2 3.98Å; T33-T35 WeakPolarHBondContact CG2-OG1 3.38Å; T33-T35 PolarHBondContact O-N 3.45Å; T35-F60 WeakPolarHBondContact O-CD2 3.36Å; T35-F60 PolarHBondContact O-N 3.08Å
36	Q	87.1	Confident	79.2	Confident	72 Å²	72	64 Å²	64	34%	0.336	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	119.2	177	-68.3	-176.1	17.4	0	0	112.1	S29 T33 F58 K59	S29-Q36 PolarHBondContact OG-O 3.43Å; S29-Q36 VanDerWaalsContact OG-O 3.07Å; T33-Q36 HydrophobicContact CG2-CB 4.41Å; T33-Q36 HydrophobicContact CG2-CG 4.38Å; T33-Q36 PolarHBondContact O-N 3.19Å; Q36-F58 CarbonylContact C-O 3.57Å; Q36-F58 VanDerWaalsContact CA-O 3.25Å; Q36-F58 WeakPolarHBondContact CA-O 3.48Å; Q36-K59 HydrophobicContact CG-CB 4.47Å; Q36-K59 HydrophobicContact CG-CG 4.16Å
37	W	90.2	Very high	79.5	Confident	1 Å²	1	63 Å²	63	0%	0.004	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.1	179.6	-57.8	-6.2	0	0	0	110.3	L8 E11 L12 L15 L25 V30 I34 F58 F60 V105	L8-W37 HydrophobicContact CB-CH2 4.4Å; L8-W37 HydrophobicContact CB-CZ2 3.93Å; L8-W37 HydrophobicContact CD2-CH2 4.22Å; L8-W37 HydrophobicContact CD2-CZ2 4.08Å; L8-W37 HydrophobicContact CG-CZ2 4.48Å; L8-W37 VanDerWaalsContact O-CH2 3.26Å; L8-W37 WeakPolarHBondContact O-CH2 3.49Å; E11-W37 HydrophobicContact CB-CH2 4.04Å; E11-W37 HydrophobicContact CB-CZ3 4.35Å; L12-W37 HydrophobicContact CB-CH2 3.83Å; L12-W37 HydrophobicContact CB-CZ2 3.97Å; L12-W37 HydrophobicContact CD1-CD2 4.42Å; L12-W37 HydrophobicContact CD1-CH2 4.08Å; L12-W37 HydrophobicContact CD1-CZ2 3.83Å; L12-W37 HydrophobicContact CD1-CZ3 4.48Å; L15-W37 HydrophobicContact CD1-CE3 4.16Å; L15-W37 HydrophobicContact CD1-CZ3 3.77Å; L25-W37 HydrophobicContact CD1-CB 4.05Å; L25-W37 HydrophobicContact CD1-CD2 4.4Å; L25-W37 HydrophobicContact CD1-CE3 4.18Å; L25-W37 HydrophobicContact CD1-CG 4.38Å; V30-W37 HydrophobicContact CG2-CG 4.05Å; I34-W37 PolarHBondContact O-NE1 3.33Å; W37-F58 HydrophobicContact CB-CB 4.24Å; W37-F58 PolarHBondContact N-O 3.07Å; W37-F58 PolarHBondContact O-N 3.32Å; W37-F60 HydrophobicContact CB-CE2 4.35Å; W37-F60 AromaticContact CD1-CE2 3.95Å; W37-F60 AromaticContact CD2-CE2 3.51Å; W37-F60 HydrophobicContact CD2-CE2 3.51Å; W37-F60 AromaticContact CD2-CZ 3.88Å; W37-F60 HydrophobicContact CD2-CZ 3.88Å; W37-F60 AromaticContact CE2-CE2 3.7Å; W37-F60 AromaticContact CE3-CE2 3.95Å; W37-F60 HydrophobicContact CE3-CE2 3.95Å; W37-F60 AromaticContact CE3-CZ 3.8Å; W37-F60 HydrophobicContact CE3-CZ 3.8Å; W37-F60 AromaticContact CG-CE2 3.7Å; W37-F60 HydrophobicContact CG-CE2 3.7Å; W37-F60 HydrophobicContact CG-CZ 4.41Å; W37-F60 HydrophobicContact CH2-CZ 4.46Å; W37-F60 HydrophobicContact CZ2-CE2 4.31Å; W37-F60 HydrophobicContact CZ3-CE2 4.49Å; W37-F60 HydrophobicContact CZ3-CZ 4.09Å; W37-F60 AromaticContact NE1-CE2 3.89Å; W37-V105 HydrophobicContact CE3-CG1 4.34Å; W37-V105 HydrophobicContact CE3-CG2 4.46Å; W37-V105 HydrophobicContact CZ3-CB 4.39Å; W37-V105 HydrophobicContact CZ3-CG1 4.32Å; W37-V105 HydrophobicContact CZ3-CG2 4.08Å
38	I	90.6	Very high	80.6	Confident	45 Å²	45	61.2 Å²	61.2	23%	0.231	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.3	169.2	-65	170.3	0	0	0	107.1	N26 S29 Q55 L56 L57	N26-I38 HydrophobicContact CB-CB 4.04Å; N26-I38 HydrophobicContact CB-CG2 4.14Å; N26-I38 VanDerWaalsContact CB-O 3.28Å; N26-I38 WeakPolarHBondContact CB-O 3.09Å; N26-I38 PolarHBondContact N-O 2.8Å; S29-I38 PolarHBondContact OG-N 3.26Å; I38-Q55 HydrophobicContact CG2-CB 4.46Å; I38-L56 CarbonylContact C-O 3.55Å; I38-L56 VanDerWaalsContact CA-O 3.3Å; I38-L56 WeakPolarHBondContact CA-O 3.36Å; I38-L57 HydrophobicContact CG1-CD1 4.16Å
39	V	91	Very high	81.9	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119	175.7	-172.9	0	0	0	0	107.9	M23 T24 L25 L56 F58	M23-V39 HydrophobicContact CB-CG1 4.2Å; M23-V39 HydrophobicContact CE-CB 4.37Å; M23-V39 HydrophobicContact CE-CG1 3.52Å; T24-V39 CarbonylContact O-C 3.59Å; L25-V39 HydrophobicContact CD1-CG2 3.95Å; V39-L56 HydrophobicContact CB-CB 4.34Å; V39-L56 PolarHBondContact N-O 2.73Å; V39-L56 PolarHBondContact O-N 3.37Å; V39-F58 HydrophobicContact CB-CD2 4.47Å; V39-F58 HydrophobicContact CB-CE2 4.13Å; V39-F58 HydrophobicContact CG2-CD2 3.76Å; V39-F58 HydrophobicContact CG2-CE2 3.69Å
40	D	91.4	Very high	83.2	Confident	50 Å²	50	58.1 Å²	58.1	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136	173.3	-61.7	-43.2	0	0	0	108.2	M23 T24 Q55	M23-D40 CarbonylContact C-O 3.5Å; M23-D40 VanDerWaalsContact CA-O 3.24Å; M23-D40 WeakPolarHBondContact CA-O 3.34Å; T24-D40 PolarHBondContact N-O 2.89Å; T24-D40 PolarHBondContact O-N 3.33Å; D40-Q55 WeakPolarHBondContact OD1-CG 3.33Å; D40-Q55 PolarHBondContact OD1-NE2 2.79Å
41	M	91.7	Very high	84.3	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.2	-178.1	172.8	-177.8	-75.4	0	0	109.2	G22 M23 K53 F54 L56 F73 I112 I113 L116	G22-M41 CarbonylContact O-C 3.47Å; G22-M41 WeakPolarHBondContact O-CA 3.3Å; M23-M41 HydrophobicContact CE-CB 4.35Å; M23-M41 HydrophobicContact CE-CE 3.33Å; M23-M41 HydrophobicContact CG-CB 4.26Å; M23-M41 HydrophobicContact CG-CE 4.18Å; M23-M41 HydrophobicContact CG-CG 4.26Å; M23-M41 HydrophobicContact SD-CE 3.51Å; M23-M41 VanDerWaalsContact SD-CE 3.51Å; M41-K53 CarbonylContact O-C 3.54Å; M41-K53 WeakPolarHBondContact O-CA 3.35Å; M41-F54 HydrophobicContact CB-CB 4.45Å; M41-F54 PolarHBondContact N-O 3.22Å; M41-F54 PolarHBondContact O-N 3.01Å; M41-L56 HydrophobicContact CE-CD1 3.61Å; M41-F73 HydrophobicContact SD-CE1 4.38Å; M41-I112 HydrophobicContact CE-CB 4.18Å; M41-I112 HydrophobicContact CE-CG2 3.75Å; M41-I112 HydrophobicContact SD-CG2 4.24Å; M41-I113 HydrophobicContact CE-CG1 3.66Å; M41-L116 HydrophobicContact SD-CD1 3.73Å
42	E	91.6	Very high	85.9	Confident	94 Å²	94	54.8 Å²	54.8	44%	0.439	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.1	170.6	-168.4	167	155.4	0	0	108.9	G22 A44 E52 K53	G22-E42 PolarHBondContact O-N 3.45Å; E42-A44 PolarHBondContact O-N 2.88Å; E42-E52 WeakPolarHBondContact CA-O 3.4Å; E42-K53 HydrophobicContact CG-CG 4.39Å
43	G	89.3	Confident	87.4	Confident	8 Å²	8	54.9 Å²	54.9	8%	0.082	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-64.7	134.6	179.5	0	0	0	0	0	111.4	Y49 E52	G43-Y49 VanDerWaalsContact CA-O 3.31Å; G43-Y49 WeakPolarHBondContact CA-O 3.43Å; G43-E52 PolarHBondContact N-O 3.29Å
44	A	88.1	Confident	88.6	Confident	29 Å²	29	52.1 Å²	52.1	24%	0.24	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.9	148.1	-174.4	0	0	0	0	0	112.1	E42 T47	E42-A44 PolarHBondContact O-N 2.88Å; A44-T47 HydrophobicContact CB-CG2 3.88Å; A44-T47 WeakPolarHBondContact O-CB 3.29Å; A44-T47 WeakPolarHBondContact O-CG2 3.37Å; A44-T47 PolarHBondContact O-N 3.26Å; A44-T47 PolarHBondContact O-OG1 2.86Å
45	P	87	Confident	89.5	Confident	112 Å²	112	51.8 Å²	51.8	73%	0.727	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	142.7	177.2	27	-34.5	0	0	0	111.4	T47	P45-T47 VanDerWaalsContact C-N 3.28Å
46	G	85.6	Confident	90.2	Very high	74 Å²	74	49.5 Å²	49.5	76%	0.763	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	8	-176.2	0	0	0	0	0	114.4	E50	G46-E50 PolarHBondContact N-OE2 2.87Å
47	T	89.3	Confident	90.4	Very high	24 Å²	24	47.8 Å²	47.8	15%	0.147	28%	0.279	C	S	.	.	S	Bend	trans	-106.9	165.3	176.2	76.5	0	0	0	0	111.1	A44 P45 Y49 E50	A44-T47 HydrophobicContact CB-CG2 3.88Å; A44-T47 WeakPolarHBondContact O-CB 3.29Å; A44-T47 WeakPolarHBondContact O-CG2 3.37Å; A44-T47 PolarHBondContact O-N 3.26Å; A44-T47 PolarHBondContact O-OG1 2.86Å; P45-T47 VanDerWaalsContact C-N 3.28Å; T47-Y49 PolarHBondContact O-N 3.21Å; T47-Y49 VanDerWaalsContact O-N 3.07Å; T47-Y49 PolarHBondContact OG1-N 3.45Å; T47-E50 WeakPolarHBondContact O-CB 3.45Å; T47-E50 PolarHBondContact O-N 2.84Å; T47-E50 PolarHBondContact OG1-N 2.8Å
48	L	90.7	Very high	90.4	Very high	72 Å²	72	47.8 Å²	47.8	38%	0.377	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.3	175	-64.1	177.9	0	0	0	113.4	K122	L48-K122 HydrophobicContact CB-CG 4.13Å; L48-K122 HydrophobicContact CD1-CG 3.99Å; L48-K122 WeakPolarHBondContact O-CE 3.44Å; L48-K122 PolarHBondContact O-NZ 3.42Å
49	Y	90.4	Very high	90.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	8.5	-176.4	-51.6	-79.3	0	0	0	112.5	G43 T47 G51 E52 F54 P79 V80 H81 L116 C119 K122	G43-Y49 VanDerWaalsContact CA-O 3.31Å; G43-Y49 WeakPolarHBondContact CA-O 3.43Å; T47-Y49 PolarHBondContact O-N 3.21Å; T47-Y49 VanDerWaalsContact O-N 3.07Å; T47-Y49 PolarHBondContact OG1-N 3.45Å; Y49-G51 PolarHBondContact O-N 3.25Å; Y49-E52 WeakPolarHBondContact O-CB 3.36Å; Y49-E52 PolarHBondContact O-N 3.16Å; Y49-F54 HydrophobicContact CD1-CE2 4.39Å; Y49-F54 AromaticContact CD1-CZ 3.81Å; Y49-F54 HydrophobicContact CD1-CZ 3.81Å; Y49-F54 HydrophobicContact CG-CE2 4.42Å; Y49-F54 HydrophobicContact CG-CZ 4.27Å; Y49-P79 HydrophobicContact CD1-CB 4.06Å; Y49-P79 HydrophobicContact CE1-CB 3.75Å; Y49-V80 PolarHBondContact OH-O 2.74Å; Y49-H81 WeakPolarHBondContact OH-CB 3.21Å; Y49-H81 PolarHBondContact OH-CD2 3.43Å; Y49-H81 VanDerWaalsContact OH-CD2 3.3Å; Y49-L116 HydrophobicContact CD2-CB 3.9Å; Y49-L116 HydrophobicContact CD2-CD2 4.18Å; Y49-L116 HydrophobicContact CE1-CD2 4.47Å; Y49-L116 HydrophobicContact CE2-CB 4.03Å; Y49-L116 HydrophobicContact CE2-CD2 3.79Å; Y49-L116 HydrophobicContact CE2-CG 4.49Å; Y49-L116 WeakPolarHBondContact CE2-O 3.27Å; Y49-C119 HydrophobicContact CE2-CB 4.17Å; Y49-K122 HydrophobicContact CE1-CD 4.26Å; Y49-K122 HydrophobicContact CE1-CG 4.24Å
50	E	91.4	Very high	90.3	Very high	119 Å²	119	50.4 Å²	50.4	56%	0.556	29%	0.288	S	S	*	.	B	Isolated β-bridge	trans	-49.4	127.8	179.9	177.7	174.7	160.6	0	0	111.9	G46 T47 E52	G46-E50 PolarHBondContact N-OE2 2.87Å; T47-E50 WeakPolarHBondContact O-CB 3.45Å; T47-E50 PolarHBondContact O-N 2.84Å; T47-E50 PolarHBondContact OG1-N 2.8Å; E50-E52 PolarHBondContact O-N 3.18Å
51	G	87.4	Confident	90.1	Very high	52 Å²	52	49.8 Å²	49.8	54%	0.536	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	-6.9	179.4	0	0	0	0	0	115.4	Y49	Y49-G51 PolarHBondContact O-N 3.25Å
52	E	90.7	Very high	89.7	Confident	60 Å²	60	52.9 Å²	52.9	28%	0.28	32%	0.321	S	S	.	.			trans	-79.6	138.5	172.4	-64.6	-178.4	-165.7	0	0	110.5	E42 G43 Y49 E50 F54 K122	E42-E52 WeakPolarHBondContact CA-O 3.4Å; G43-E52 PolarHBondContact N-O 3.29Å; Y49-E52 WeakPolarHBondContact O-CB 3.36Å; Y49-E52 PolarHBondContact O-N 3.16Å; E50-E52 PolarHBondContact O-N 3.18Å; E52-F54 HydrophobicContact CB-CE1 4.19Å; E52-F54 HydrophobicContact CB-CE2 3.78Å; E52-F54 HydrophobicContact CB-CZ 3.46Å; E52-F54 VanDerWaalsContact CB-CZ 3.46Å; E52-F54 HydrophobicContact CG-CZ 4.4Å; E52-F54 WeakPolarHBondContact OE2-CZ 3.08Å; E52-K122 IonicContact OE1-NZ 2.69Å; E52-K122 PolarHBondContact OE1-NZ 3.31Å; E52-K122 IonicContact OE2-NZ 3.83Å
53	K	91.7	Very high	89.5	Confident	144 Å²	144	56.6 Å²	56.6	63%	0.626	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.2	175.6	-66	-178	178.5	-177.8	0	110.4	M41 E42 N77	M41-K53 CarbonylContact O-C 3.54Å; M41-K53 WeakPolarHBondContact O-CA 3.35Å; E42-K53 HydrophobicContact CG-CG 4.39Å; K53-N77 PolarHBondContact O-ND2 3.38Å
54	F	92.9	Very high	89.4	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.013	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.9	179	-50.1	-74.4	0	0	0	109.6	M41 Y49 E52 F73 N77 P79	M41-F54 HydrophobicContact CB-CB 4.45Å; M41-F54 PolarHBondContact N-O 3.22Å; M41-F54 PolarHBondContact O-N 3.01Å; Y49-F54 HydrophobicContact CD1-CE2 4.39Å; Y49-F54 AromaticContact CD1-CZ 3.81Å; Y49-F54 HydrophobicContact CD1-CZ 3.81Å; Y49-F54 HydrophobicContact CG-CE2 4.42Å; Y49-F54 HydrophobicContact CG-CZ 4.27Å; E52-F54 HydrophobicContact CB-CE1 4.19Å; E52-F54 HydrophobicContact CB-CE2 3.78Å; E52-F54 HydrophobicContact CB-CZ 3.46Å; E52-F54 VanDerWaalsContact CB-CZ 3.46Å; E52-F54 HydrophobicContact CG-CZ 4.4Å; E52-F54 WeakPolarHBondContact OE2-CZ 3.08Å; F54-F73 HydrophobicContact CB-CD1 3.99Å; F54-F73 HydrophobicContact CB-CE1 3.97Å; F54-F73 HydrophobicContact CG-CE1 4.4Å; F54-N77 HydrophobicContact CD1-CB 4.4Å; F54-N77 VanDerWaalsContact CE1-ND2 3.25Å; F54-N77 WeakPolarHBondContact CE1-ND2 3.38Å; F54-P79 HydrophobicContact CD1-CB 4.1Å; F54-P79 HydrophobicContact CD1-CG 4.08Å; F54-P79 HydrophobicContact CE1-CB 3.64Å; F54-P79 HydrophobicContact CE1-CG 4.14Å; F54-P79 HydrophobicContact CZ-CB 3.92Å
55	Q	92.8	Very high	89.5	Confident	70 Å²	70	55.6 Å²	55.6	33%	0.327	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.1	173.6	-54.5	-169.2	-72.4	0	0	109.5	I38 D40 F73 T74	I38-Q55 HydrophobicContact CG2-CB 4.46Å; D40-Q55 WeakPolarHBondContact OD1-CG 3.33Å; D40-Q55 PolarHBondContact OD1-NE2 2.79Å; Q55-F73 CarbonylContact O-C 3.53Å; Q55-F73 VanDerWaalsContact O-CA 3.3Å; Q55-F73 WeakPolarHBondContact O-CA 3.36Å; Q55-T74 HydrophobicContact CB-CG2 3.69Å; Q55-T74 PolarHBondContact O-N 3.07Å
56	L	92.8	Very high	89.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.2	175.6	-70.7	172.1	0	0	0	109.6	M23 I38 V39 M41 F58 V71 M72 F73 I90 I112	M23-L56 HydrophobicContact CE-CD1 3.63Å; I38-L56 CarbonylContact C-O 3.55Å; I38-L56 VanDerWaalsContact CA-O 3.3Å; I38-L56 WeakPolarHBondContact CA-O 3.36Å; V39-L56 HydrophobicContact CB-CB 4.34Å; V39-L56 PolarHBondContact N-O 2.73Å; V39-L56 PolarHBondContact O-N 3.37Å; M41-L56 HydrophobicContact CE-CD1 3.61Å; L56-F58 HydrophobicContact CB-CD2 4.29Å; L56-F58 HydrophobicContact CB-CE2 3.77Å; L56-F58 HydrophobicContact CD1-CE2 4.2Å; L56-V71 HydrophobicContact CD2-CG1 4.39Å; L56-M72 WeakPolarHBondContact CA-O 3.24Å; L56-F73 HydrophobicContact CD2-CD1 3.48Å; L56-F73 VanDerWaalsContact CD2-CD1 3.48Å; L56-F73 HydrophobicContact CD2-CD2 4.16Å; L56-F73 HydrophobicContact CD2-CE1 3.46Å; L56-F73 VanDerWaalsContact CD2-CE1 3.46Å; L56-F73 HydrophobicContact CD2-CE2 4.13Å; L56-F73 HydrophobicContact CD2-CG 3.85Å; L56-F73 HydrophobicContact CD2-CZ 3.8Å; L56-F73 HydrophobicContact CG-CD1 4.22Å; L56-F73 HydrophobicContact CG-CE1 4.09Å; L56-I90 HydrophobicContact CD2-CD1 3.71Å; L56-I112 HydrophobicContact CD1-CD1 3.83Å; L56-I112 HydrophobicContact CD1-CG2 4.38Å; L56-I112 HydrophobicContact CD2-CD1 4.13Å
57	L	91.1	Very high	89.6	Confident	37 Å²	37	56.1 Å²	56.1	19%	0.194	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.5	171.5	178.2	65.2	0	0	0	109.6	I38 V71 M72 T74	I38-L57 HydrophobicContact CG1-CD1 4.16Å; L57-V71 WeakPolarHBondContact O-CA 3.32Å; L57-M72 HydrophobicContact CB-CG 4.06Å; L57-M72 HydrophobicContact CD2-CG 4.36Å; L57-M72 HydrophobicContact CD2-SD 4.28Å; L57-M72 PolarHBondContact N-O 2.89Å; L57-M72 PolarHBondContact O-N 2.87Å; L57-M72 VanDerWaalsContact O-N 3.15Å; L57-T74 HydrophobicContact CB-CG2 3.97Å
58	F	91.2	Very high	89.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.8	170.1	-71.3	-101.5	0	0	0	109.4	Q36 W37 V39 L56 F60 P69 Q70 V71 V105 V108 C109	Q36-F58 CarbonylContact C-O 3.57Å; Q36-F58 VanDerWaalsContact CA-O 3.25Å; Q36-F58 WeakPolarHBondContact CA-O 3.48Å; W37-F58 HydrophobicContact CB-CB 4.24Å; W37-F58 PolarHBondContact N-O 3.07Å; W37-F58 PolarHBondContact O-N 3.32Å; V39-F58 HydrophobicContact CB-CD2 4.47Å; V39-F58 HydrophobicContact CB-CE2 4.13Å; V39-F58 HydrophobicContact CG2-CD2 3.76Å; V39-F58 HydrophobicContact CG2-CE2 3.69Å; L56-F58 HydrophobicContact CB-CD2 4.29Å; L56-F58 HydrophobicContact CB-CE2 3.77Å; L56-F58 HydrophobicContact CD1-CE2 4.2Å; F58-F60 HydrophobicContact CB-CE2 4.1Å; F58-F60 HydrophobicContact CB-CZ 4Å; F58-P69 HydrophobicContact CD1-CB 4.37Å; F58-P69 HydrophobicContact CD1-CG 4.3Å; F58-Q70 CarbonylContact C-O 3.52Å; F58-Q70 WeakPolarHBondContact CA-O 3.45Å; F58-V71 HydrophobicContact CD1-CB 4.4Å; F58-V71 HydrophobicContact CD1-CG1 4.15Å; F58-V71 HydrophobicContact CD1-CG2 3.42Å; F58-V71 VanDerWaalsContact CD1-CG2 3.42Å; F58-V71 HydrophobicContact CD2-CG1 4.38Å; F58-V71 HydrophobicContact CE1-CB 4.3Å; F58-V71 HydrophobicContact CE1-CG1 3.79Å; F58-V71 HydrophobicContact CE1-CG2 3.45Å; F58-V71 VanDerWaalsContact CE1-CG2 3.45Å; F58-V71 HydrophobicContact CE2-CG1 4.05Å; F58-V71 HydrophobicContact CG-CG1 4.42Å; F58-V71 HydrophobicContact CG-CG2 4.2Å; F58-V71 HydrophobicContact CZ-CG1 3.73Å; F58-V71 HydrophobicContact CZ-CG2 4.27Å; F58-V105 HydrophobicContact CD1-CG1 3.97Å; F58-V105 HydrophobicContact CD1-CG2 4.38Å; F58-V105 HydrophobicContact CE1-CG1 3.76Å; F58-V105 HydrophobicContact CG-CG1 4.46Å; F58-V105 HydrophobicContact CZ-CG1 4.07Å; F58-V108 HydrophobicContact CE1-CB 4.2Å; F58-V108 HydrophobicContact CE1-CG1 3.83Å; F58-V108 HydrophobicContact CZ-CG1 4.21Å; F58-C109 VanDerWaalsContact CZ-SG 3.53Å
59	K	89.6	Confident	89.7	Confident	95 Å²	95	52 Å²	52	41%	0.413	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.5	175.8	-176.7	173.1	-177.2	174.6	0	110.2	Q36 Q70	Q36-K59 HydrophobicContact CG-CB 4.47Å; Q36-K59 HydrophobicContact CG-CG 4.16Å; K59-Q70 HydrophobicContact CB-CB 4.19Å; K59-Q70 HydrophobicContact CB-CG 4.46Å; K59-Q70 PolarHBondContact N-O 3.06Å; K59-Q70 PolarHBondContact O-N 3Å
60	F	89.4	Confident	89.7	Confident	10 Å²	10	53 Å²	53	4%	0.044	28%	0.276	C	S	.	.			trans	-87.7	137	-177.8	-56.7	-78.9	0	0	0	110.9	L8 T35 W37 F58 Y64 P69 V105	L8-F60 HydrophobicContact CD1-CB 4.15Å; L8-F60 HydrophobicContact CD1-CD2 4.01Å; L8-F60 HydrophobicContact CD1-CG 3.99Å; L8-F60 HydrophobicContact CD2-CD1 3.49Å; L8-F60 VanDerWaalsContact CD2-CD1 3.49Å; L8-F60 HydrophobicContact CD2-CD2 3.87Å; L8-F60 HydrophobicContact CD2-CE1 3.5Å; L8-F60 HydrophobicContact CD2-CE2 3.92Å; L8-F60 HydrophobicContact CD2-CG 3.68Å; L8-F60 HydrophobicContact CD2-CZ 3.73Å; L8-F60 HydrophobicContact CG-CG 4.49Å; T35-F60 WeakPolarHBondContact O-CD2 3.36Å; T35-F60 PolarHBondContact O-N 3.08Å; W37-F60 HydrophobicContact CB-CE2 4.35Å; W37-F60 AromaticContact CD1-CE2 3.95Å; W37-F60 AromaticContact CD2-CE2 3.51Å; W37-F60 HydrophobicContact CD2-CE2 3.51Å; W37-F60 AromaticContact CD2-CZ 3.88Å; W37-F60 HydrophobicContact CD2-CZ 3.88Å; W37-F60 AromaticContact CE2-CE2 3.7Å; W37-F60 AromaticContact CE3-CE2 3.95Å; W37-F60 HydrophobicContact CE3-CE2 3.95Å; W37-F60 AromaticContact CE3-CZ 3.8Å; W37-F60 HydrophobicContact CE3-CZ 3.8Å; W37-F60 AromaticContact CG-CE2 3.7Å; W37-F60 HydrophobicContact CG-CE2 3.7Å; W37-F60 HydrophobicContact CG-CZ 4.41Å; W37-F60 HydrophobicContact CH2-CZ 4.46Å; W37-F60 HydrophobicContact CZ2-CE2 4.31Å; W37-F60 HydrophobicContact CZ3-CE2 4.49Å; W37-F60 HydrophobicContact CZ3-CZ 4.09Å; W37-F60 AromaticContact NE1-CE2 3.89Å; F58-F60 HydrophobicContact CB-CE2 4.1Å; F58-F60 HydrophobicContact CB-CZ 4Å; F60-Y64 HydrophobicContact CD1-CD1 4.14Å; F60-Y64 AromaticContact CD1-CD2 3.76Å; F60-Y64 HydrophobicContact CD1-CD2 3.76Å; F60-Y64 HydrophobicContact CD1-CE1 4.27Å; F60-Y64 AromaticContact CD1-CE2 3.92Å; F60-Y64 HydrophobicContact CD1-CE2 3.92Å; F60-Y64 AromaticContact CD1-CG 3.88Å; F60-Y64 HydrophobicContact CD1-CG 3.88Å; F60-Y64 HydrophobicContact CE1-CD2 4.38Å; F60-Y64 HydrophobicContact CE1-CE1 4.38Å; F60-Y64 HydrophobicContact CE1-CE2 4.07Å; F60-P69 HydrophobicContact CD1-CB 3.76Å; F60-P69 HydrophobicContact CE1-CB 3.78Å; F60-P69 HydrophobicContact CE1-CG 4.35Å; F60-V105 HydrophobicContact CE1-CG2 3.55Å; F60-V105 HydrophobicContact CZ-CG2 3.54Å
61	S	87.4	Confident	89.7	Confident	37 Å²	37	47.6 Å²	47.6	26%	0.259	25%	0.251	S	S	.	.			trans	-84.8	162.1	171	82.1	0	0	0	0	110.3	R63 Y64 D67	S61-R63 PolarHBondContact O-N 3.43Å; S61-R63 PolarHBondContact OG-N 2.89Å; S61-Y64 WeakPolarHBondContact O-CB 3.33Å; S61-Y64 PolarHBondContact O-N 3.34Å; S61-Y64 VanDerWaalsContact O-N 3.11Å; S61-D67 WeakPolarHBondContact OG-CB 3.25Å
62	G	84.4	Confident	89.9	Confident	70 Å²	70	46.5 Å²	46.5	72%	0.722	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11	172.9	0	0	0	0	0	114.4
63	R	87	Confident	90	Very high	172 Å²	172	43.8 Å²	43.8	65%	0.649	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	1	178	-65.6	-168.5	-63.6	-128.5	2.6	113.5	S61 F66 D67	S61-R63 PolarHBondContact O-N 3.43Å; S61-R63 PolarHBondContact OG-N 2.89Å; R63-F66 WeakPolarHBondContact O-CA 3.01Å; R63-F66 WeakPolarHBondContact O-CB 3.31Å; R63-F66 PolarHBondContact O-N 3.35Å; R63-D67 HydrophobicContact CB-CB 4.12Å; R63-D67 IonicContact CZ-OD2 3.82Å; R63-D67 IonicContact NE-OD1 2.63Å; R63-D67 IonicContact NE-OD2 2.94Å; R63-D67 PolarHBondContact NE-OD2 3.22Å; R63-D67 IonicContact NH2-OD2 2.75Å; R63-D67 PolarHBondContact NH2-OD2 3.49Å; R63-D67 PolarHBondContact O-N 2.93Å
64	Y	86.7	Confident	89.9	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.016	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	136.2	174.5	-173.5	-95.7	0	0	0	111	M4 R7 L8 E11 F60 S61 D67 P69 W99	M4-Y64 VanDerWaalsContact CB-O 3.29Å; M4-Y64 WeakPolarHBondContact CB-O 3.36Å; M4-Y64 HydrophobicContact CG-CD1 4.44Å; M4-Y64 WeakPolarHBondContact CG-O 3.35Å; R7-Y64 HydrophobicContact CG-CD1 4.27Å; R7-Y64 HydrophobicContact CG-CE1 3.75Å; L8-Y64 HydrophobicContact CD2-CD1 3.66Å; L8-Y64 HydrophobicContact CD2-CE1 3.53Å; L8-Y64 HydrophobicContact CG-CD1 4.12Å; L8-Y64 HydrophobicContact CG-CE1 4.33Å; E11-Y64 PolarHBondContact OE1-OH 2.91Å; E11-Y64 PolarHBondContact OE2-OH 2.62Å; F60-Y64 HydrophobicContact CD1-CD1 4.14Å; F60-Y64 AromaticContact CD1-CD2 3.76Å; F60-Y64 HydrophobicContact CD1-CD2 3.76Å; F60-Y64 HydrophobicContact CD1-CE1 4.27Å; F60-Y64 AromaticContact CD1-CE2 3.92Å; F60-Y64 HydrophobicContact CD1-CE2 3.92Å; F60-Y64 AromaticContact CD1-CG 3.88Å; F60-Y64 HydrophobicContact CD1-CG 3.88Å; F60-Y64 HydrophobicContact CE1-CD2 4.38Å; F60-Y64 HydrophobicContact CE1-CE1 4.38Å; F60-Y64 HydrophobicContact CE1-CE2 4.07Å; S61-Y64 WeakPolarHBondContact O-CB 3.33Å; S61-Y64 PolarHBondContact O-N 3.34Å; S61-Y64 VanDerWaalsContact O-N 3.11Å; Y64-D67 WeakPolarHBondContact CD2-O 3.38Å; Y64-P69 HydrophobicContact CE2-CG 4.34Å; Y64-W99 HydrophobicContact CD2-CZ2 4.19Å; Y64-W99 AromaticContact CE2-CH2 3.68Å; Y64-W99 HydrophobicContact CE2-CH2 3.68Å; Y64-W99 AromaticContact CE2-CZ2 3.49Å; Y64-W99 HydrophobicContact CE2-CZ2 3.49Å; Y64-W99 VanDerWaalsContact CE2-CZ2 3.49Å
65	P	89.2	Confident	89.5	Confident	13 Å²	13	40.9 Å²	40.9	8%	0.084	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.9	8.8	8.2	37.8	-37.5	0	0	0	115.4	R7 D67 W99 P101	R7-P65 HydrophobicContact CG-CB 4.31Å; R7-P65 HydrophobicContact CG-CG 4.15Å; P65-D67 VanDerWaalsContact C-N 3.35Å; P65-W99 PolarHBondContact O-NE1 3.29Å; P65-P101 HydrophobicContact CB-CB 4.38Å; P65-P101 HydrophobicContact CG-CB 4.25Å; P65-P101 WeakPolarHBondContact O-CA 3.33Å
66	F	88.3	Confident	89.1	Confident	149 Å²	149	47.5 Å²	47.5	65%	0.654	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-31.7	177.8	-60.1	-81	0	0	0	112.7	R63 P101	R63-F66 WeakPolarHBondContact O-CA 3.01Å; R63-F66 WeakPolarHBondContact O-CB 3.31Å; R63-F66 PolarHBondContact O-N 3.35Å; F66-P101 HydrophobicContact CD1-CG 3.91Å; F66-P101 HydrophobicContact CE1-CG 4.38Å
67	D	87.9	Confident	89	Confident	47 Å²	47	50.6 Å²	50.6	25%	0.251	27%	0.269	S	S	.	.	S	Bend	trans	-100.7	143	164.9	-80.3	-8.3	0	0	0	110	S61 R63 Y64 P65	S61-D67 WeakPolarHBondContact OG-CB 3.25Å; R63-D67 HydrophobicContact CB-CB 4.12Å; R63-D67 IonicContact CZ-OD2 3.82Å; R63-D67 IonicContact NE-OD1 2.63Å; R63-D67 IonicContact NE-OD2 2.94Å; R63-D67 PolarHBondContact NE-OD2 3.22Å; R63-D67 IonicContact NH2-OD2 2.75Å; R63-D67 PolarHBondContact NH2-OD2 3.49Å; R63-D67 PolarHBondContact O-N 2.93Å; Y64-D67 WeakPolarHBondContact CD2-O 3.38Å; P65-D67 VanDerWaalsContact C-N 3.35Å
68	S	89.8	Confident	89	Confident	10 Å²	10	50.8 Å²	50.8	7%	0.07	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-58	155.4	172.2	59.6	0	0	0	0	112.3	L95 W99 K140	S68-L95 WeakPolarHBondContact CB-O 3.45Å; S68-L95 PolarHBondContact OG-O 2.74Å; S68-W99 VanDerWaalsContact CA-CE2 3.44Å; S68-W99 VanDerWaalsContact CB-CD2 3.48Å; S68-W99 VanDerWaalsContact CB-CG 3.43Å; S68-W99 VanDerWaalsContact N-CD1 3.35Å; S68-K140 PolarHBondContact O-NZ 3.15Å; S68-K140 WeakPolarHBondContact OG-CE 3.44Å; S68-K140 PolarHBondContact OG-NZ 3.49Å
69	P	91.3	Very high	88.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-70	152.2	164	30.1	-28.2	0	0	0	109.1	F58 F60 Y64 V71 W99	F58-P69 HydrophobicContact CD1-CB 4.37Å; F58-P69 HydrophobicContact CD1-CG 4.3Å; F60-P69 HydrophobicContact CD1-CB 3.76Å; F60-P69 HydrophobicContact CE1-CB 3.78Å; F60-P69 HydrophobicContact CE1-CG 4.35Å; Y64-P69 HydrophobicContact CE2-CG 4.34Å; P69-V71 HydrophobicContact CB-CG2 4.16Å; P69-V71 HydrophobicContact CG-CG2 3.93Å; P69-W99 HydrophobicContact CG-CH2 4.43Å; P69-W99 HydrophobicContact CG-CZ3 4.48Å
70	Q	89.8	Confident	89	Confident	19 Å²	19	48.8 Å²	48.8	9%	0.089	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.6	164.2	162.6	160.4	80.7	0	0	108.1	F58 K59 M72 N138 P139	F58-Q70 CarbonylContact C-O 3.52Å; F58-Q70 WeakPolarHBondContact CA-O 3.45Å; K59-Q70 HydrophobicContact CB-CB 4.19Å; K59-Q70 HydrophobicContact CB-CG 4.46Å; K59-Q70 PolarHBondContact N-O 3.06Å; K59-Q70 PolarHBondContact O-N 3Å; Q70-M72 HydrophobicContact CG-CE 3.78Å; Q70-N138 PolarHBondContact NE2-OD1 3.45Å; Q70-P139 HydrophobicContact CG-CG 4.2Å; Q70-P139 VanDerWaalsContact NE2-CG 3.29Å
71	V	92.5	Very high	89.1	Confident	6 Å²	6	48.5 Å²	48.5	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.7	-177.5	-168.7	0	0	0	0	109.3	L56 L57 F58 P69 I90 L95 V108 I112	L56-V71 HydrophobicContact CD2-CG1 4.39Å; L57-V71 WeakPolarHBondContact O-CA 3.32Å; F58-V71 HydrophobicContact CD1-CB 4.4Å; F58-V71 HydrophobicContact CD1-CG1 4.15Å; F58-V71 HydrophobicContact CD1-CG2 3.42Å; F58-V71 VanDerWaalsContact CD1-CG2 3.42Å; F58-V71 HydrophobicContact CD2-CG1 4.38Å; F58-V71 HydrophobicContact CE1-CB 4.3Å; F58-V71 HydrophobicContact CE1-CG1 3.79Å; F58-V71 HydrophobicContact CE1-CG2 3.45Å; F58-V71 VanDerWaalsContact CE1-CG2 3.45Å; F58-V71 HydrophobicContact CE2-CG1 4.05Å; F58-V71 HydrophobicContact CG-CG1 4.42Å; F58-V71 HydrophobicContact CG-CG2 4.2Å; F58-V71 HydrophobicContact CZ-CG1 3.73Å; F58-V71 HydrophobicContact CZ-CG2 4.27Å; P69-V71 HydrophobicContact CB-CG2 4.16Å; P69-V71 HydrophobicContact CG-CG2 3.93Å; V71-I90 HydrophobicContact CG1-CD1 4.11Å; V71-L95 HydrophobicContact CB-CD1 3.99Å; V71-L95 HydrophobicContact CB-CD2 4.02Å; V71-L95 HydrophobicContact CG2-CD1 4.5Å; V71-L95 HydrophobicContact CG2-CD2 3.61Å; V71-V108 HydrophobicContact CG2-CG1 4.16Å; V71-I112 HydrophobicContact CG1-CD1 3.95Å
72	M	92	Very high	89.1	Confident	29 Å²	29	49.4 Å²	49.4	14%	0.143	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.8	177.8	58.1	-176.2	66.7	0	0	110.4	L56 L57 Q70 G88 P139	L56-M72 WeakPolarHBondContact CA-O 3.24Å; L57-M72 HydrophobicContact CB-CG 4.06Å; L57-M72 HydrophobicContact CD2-CG 4.36Å; L57-M72 HydrophobicContact CD2-SD 4.28Å; L57-M72 PolarHBondContact N-O 2.89Å; L57-M72 PolarHBondContact O-N 2.87Å; L57-M72 VanDerWaalsContact O-N 3.15Å; Q70-M72 HydrophobicContact CG-CE 3.78Å; M72-G88 CarbonylContact C-O 3.44Å; M72-G88 WeakPolarHBondContact CA-O 3.45Å; M72-G88 VanDerWaalsContact CB-O 3.31Å; M72-G88 WeakPolarHBondContact CB-O 3.48Å; M72-P139 HydrophobicContact CE-CG 3.59Å
73	F	93.3	Very high	89.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	139.4	164	-71.5	-80.4	0	0	0	109.9	M41 F54 Q55 L56 I78 P79 V84 G88 I90 I112 L116	M41-F73 HydrophobicContact SD-CE1 4.38Å; F54-F73 HydrophobicContact CB-CD1 3.99Å; F54-F73 HydrophobicContact CB-CE1 3.97Å; F54-F73 HydrophobicContact CG-CE1 4.4Å; Q55-F73 CarbonylContact O-C 3.53Å; Q55-F73 VanDerWaalsContact O-CA 3.3Å; Q55-F73 WeakPolarHBondContact O-CA 3.36Å; L56-F73 HydrophobicContact CD2-CD1 3.48Å; L56-F73 VanDerWaalsContact CD2-CD1 3.48Å; L56-F73 HydrophobicContact CD2-CD2 4.16Å; L56-F73 HydrophobicContact CD2-CE1 3.46Å; L56-F73 VanDerWaalsContact CD2-CE1 3.46Å; L56-F73 HydrophobicContact CD2-CE2 4.13Å; L56-F73 HydrophobicContact CD2-CG 3.85Å; L56-F73 HydrophobicContact CD2-CZ 3.8Å; L56-F73 HydrophobicContact CG-CD1 4.22Å; L56-F73 HydrophobicContact CG-CE1 4.09Å; F73-I78 HydrophobicContact CB-CG1 4.47Å; F73-I78 HydrophobicContact CB-CG2 4.22Å; F73-P79 HydrophobicContact CD1-CG 3.89Å; F73-P79 HydrophobicContact CD2-CG 3.94Å; F73-P79 HydrophobicContact CE1-CG 3.65Å; F73-P79 HydrophobicContact CE2-CG 3.73Å; F73-P79 HydrophobicContact CG-CG 4.02Å; F73-P79 HydrophobicContact CZ-CG 3.57Å; F73-V84 HydrophobicContact CD2-CB 4.47Å; F73-V84 HydrophobicContact CD2-CG1 3.56Å; F73-V84 HydrophobicContact CD2-CG2 4.01Å; F73-V84 HydrophobicContact CE2-CB 4.44Å; F73-V84 HydrophobicContact CE2-CG1 3.99Å; F73-V84 HydrophobicContact CE2-CG2 3.53Å; F73-V84 HydrophobicContact CG-CG1 4.46Å; F73-G88 PolarHBondContact N-O 2.89Å; F73-G88 WeakPolarHBondContact O-CA 3.37Å; F73-I90 HydrophobicContact CD2-CD1 3.58Å; F73-I90 HydrophobicContact CD2-CG1 3.54Å; F73-I90 HydrophobicContact CE2-CD1 3.47Å; F73-I90 VanDerWaalsContact CE2-CD1 3.47Å; F73-I90 HydrophobicContact CE2-CG1 3.64Å; F73-I90 HydrophobicContact CG-CD1 4.42Å; F73-I90 HydrophobicContact CZ-CD1 4.26Å; F73-I112 HydrophobicContact CE1-CG2 4.45Å; F73-I112 HydrophobicContact CE2-CG2 4.26Å; F73-I112 HydrophobicContact CZ-CG2 3.6Å; F73-L116 HydrophobicContact CZ-CD1 4.13Å
74	T	89.4	Confident	89.4	Confident	47 Å²	47	42.2 Å²	42.2	29%	0.288	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	179.1	178.3	-163	0	0	0	0	109.6	Q55 L57	Q55-T74 HydrophobicContact CB-CG2 3.69Å; Q55-T74 PolarHBondContact O-N 3.07Å; L57-T74 HydrophobicContact CB-CG2 3.97Å
75	G	84.3	Confident	89.5	Confident	38 Å²	38	42.5 Å²	42.5	39%	0.392	23%	0.225	S	C	.	.	S	Bend	trans	83	-165.8	-174.4	0	0	0	0	0	113
76	E	84.3	Confident	89.4	Confident	209 Å²	209	43.5 Å²	43.5	98%	0.977	23%	0.233	S	C	*	.	S	Bend	trans	-82.5	-22.9	-175.7	-61.4	-175.3	166.9	0	0	112.8
77	N	89.5	Confident	89.1	Confident	65 Å²	65	38.7 Å²	38.7	35%	0.348	21%	0.214	S	C	.	.			trans	-112	111.3	-175.9	-167.5	23.5	0	0	0	111.4	K53 F54	K53-N77 PolarHBondContact O-ND2 3.38Å; F54-N77 HydrophobicContact CD1-CB 4.4Å; F54-N77 VanDerWaalsContact CE1-ND2 3.25Å; F54-N77 WeakPolarHBondContact CE1-ND2 3.38Å
78	I	91.3	Very high	89.1	Confident	42 Å²	42	36.4 Å²	36.4	22%	0.215	20%	0.202	C	C	.	.			trans	-111.9	123.9	176.3	-60.5	172.3	0	0	0	108.2	F73 V80 V84 S86	F73-I78 HydrophobicContact CB-CG1 4.47Å; F73-I78 HydrophobicContact CB-CG2 4.22Å; I78-V80 PolarHBondContact O-N 2.84Å; I78-V84 HydrophobicContact CG2-CG1 3.85Å; I78-S86 VanDerWaalsContact CD1-O 3.27Å; I78-S86 WeakPolarHBondContact CD1-O 3.37Å
79	P	90.4	Very high	89	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.013	20%	0.2	C	C	.	.			trans	-65.4	134.3	-176	24.3	-29.4	0	0	0	110.8	Y49 F54 F73 H81 V84 L116	Y49-P79 HydrophobicContact CD1-CB 4.06Å; Y49-P79 HydrophobicContact CE1-CB 3.75Å; F54-P79 HydrophobicContact CD1-CB 4.1Å; F54-P79 HydrophobicContact CD1-CG 4.08Å; F54-P79 HydrophobicContact CE1-CB 3.64Å; F54-P79 HydrophobicContact CE1-CG 4.14Å; F54-P79 HydrophobicContact CZ-CB 3.92Å; F73-P79 HydrophobicContact CD1-CG 3.89Å; F73-P79 HydrophobicContact CD2-CG 3.94Å; F73-P79 HydrophobicContact CE1-CG 3.65Å; F73-P79 HydrophobicContact CE2-CG 3.73Å; F73-P79 HydrophobicContact CG-CG 4.02Å; F73-P79 HydrophobicContact CZ-CG 3.57Å; P79-H81 PolarHBondContact O-N 3.3Å; P79-V84 HydrophobicContact CG-CG1 4.21Å; P79-V84 HydrophobicContact CG-CG2 4.38Å; P79-V84 WeakPolarHBondContact O-CG1 3.31Å; P79-L116 HydrophobicContact CB-CD2 4.02Å; P79-L116 HydrophobicContact CG-CD2 4.16Å
80	V	90.9	Very high	89	Confident	50 Å²	50	36.5 Å²	36.5	30%	0.303	20%	0.201	S	C	.	.			trans	-78.8	101.1	171.4	178.1	0	0	0	0	107.9	Y49 I78 K122 R124	Y49-V80 PolarHBondContact OH-O 2.74Å; I78-V80 PolarHBondContact O-N 2.84Å; V80-K122 HydrophobicContact CB-CB 4.34Å; V80-K122 HydrophobicContact CG1-CB 4.18Å; V80-R124 HydrophobicContact CG1-CG 3.85Å
81	H	90.8	Very high	88.9	Confident	5 Å²	5	36.7 Å²	36.7	2%	0.023	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-143.2	145.7	-174.7	-174.6	-89.3	0	0	0	111.2	Y49 P79 H83 V84 M115 L116 C119 R123 P125	Y49-H81 WeakPolarHBondContact OH-CB 3.21Å; Y49-H81 PolarHBondContact OH-CD2 3.43Å; Y49-H81 VanDerWaalsContact OH-CD2 3.3Å; P79-H81 PolarHBondContact O-N 3.3Å; H81-H83 AromaticContact CE1-CD2 3.64Å; H81-H83 PolarHBondContact ND1-N 3.01Å; H81-H83 PolarHBondContact O-N 3.2Å; H81-V84 HydrophobicContact CB-CB 3.9Å; H81-V84 HydrophobicContact CB-CG2 3.76Å; H81-V84 PolarHBondContact O-N 3Å; H81-V84 VanDerWaalsContact O-O 3.06Å; H81-M115 WeakPolarHBondContact CE1-CG 3.31Å; H81-M115 PolarHBondContact NE2-O 2.88Å; H81-L116 HydrophobicContact CB-CD2 4.1Å; H81-C119 VanDerWaalsContact CD2-CB 3.48Å; H81-C119 WeakPolarHBondContact CD2-CB 3.43Å; H81-C119 PolarHBondContact CD2-SG 3.02Å; H81-C119 WeakPolarHBondContact NE2-CB 3.24Å; H81-C119 PolarHBondContact NE2-SG 3.38Å; H81-R123 CarbonylContact C-O 2.8Å; H81-R123 VanDerWaalsContact CA-O 3.22Å; H81-R123 WeakPolarHBondContact CA-O 3.47Å; H81-R123 PolarHBondContact N-O 3.34Å; H81-P125 WeakPolarHBondContact O-CD 3.48Å
82	P	88	Confident	88.6	Confident	55 Å²	55	37.8 Å²	37.8	36%	0.357	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.6	-177.8	-28.8	36.4	0	0	0	115.3	R123 P125	P82-R123 WeakPolarHBondContact CD-O 3.36Å; P82-P125 VanDerWaalsContact O-CG 3.27Å; P82-P125 WeakPolarHBondContact O-CG 3.4Å
83	H	88.2	Confident	88.4	Confident	90 Å²	90	38.5 Å²	38.5	42%	0.417	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	8.6	175.9	-62.7	-54.6	0	0	0	113.7	H81 C91 M115	H81-H83 AromaticContact CE1-CD2 3.64Å; H81-H83 PolarHBondContact ND1-N 3.01Å; H81-H83 PolarHBondContact O-N 3.2Å; H83-C91 HydrophobicContact CB-CB 4.36Å; H83-C91 PolarHBondContact O-N 3.48Å; H83-M115 HydrophobicContact CB-CG 4.4Å; H83-M115 HydrophobicContact CB-SD 3.56Å; H83-M115 VanDerWaalsContact CB-SD 3.56Å
84	V	90.5	Very high	88.2	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-122.1	120.4	178.3	-177.2	0	0	0	0	110.2	F73 I78 P79 H81 H89 M115 P125	F73-V84 HydrophobicContact CD2-CB 4.47Å; F73-V84 HydrophobicContact CD2-CG1 3.56Å; F73-V84 HydrophobicContact CD2-CG2 4.01Å; F73-V84 HydrophobicContact CE2-CB 4.44Å; F73-V84 HydrophobicContact CE2-CG1 3.99Å; F73-V84 HydrophobicContact CE2-CG2 3.53Å; F73-V84 HydrophobicContact CG-CG1 4.46Å; I78-V84 HydrophobicContact CG2-CG1 3.85Å; P79-V84 HydrophobicContact CG-CG1 4.21Å; P79-V84 HydrophobicContact CG-CG2 4.38Å; P79-V84 WeakPolarHBondContact O-CG1 3.31Å; H81-V84 HydrophobicContact CB-CB 3.9Å; H81-V84 HydrophobicContact CB-CG2 3.76Å; H81-V84 PolarHBondContact O-N 3Å; H81-V84 VanDerWaalsContact O-O 3.06Å; V84-H89 WeakPolarHBondContact CA-O 3.4Å; V84-M115 HydrophobicContact CG2-CE 3.69Å; V84-P125 VanDerWaalsContact O-CD 3.24Å; V84-P125 WeakPolarHBondContact O-CD 3.27Å
85	Y	88.2	Confident	88.2	Confident	10 Å²	10	37.7 Å²	37.7	4%	0.039	21%	0.211	C	C	.	.			trans	-81	155.8	175.7	-67.2	-86.2	0	0	0	111.1	N87 G88 H89 C91 P125 D127 N128 Y131 W144	Y85-N87 WeakPolarHBondContact CB-OD1 3.44Å; Y85-N87 PolarHBondContact O-N 2.85Å; Y85-N87 VanDerWaalsContact O-N 3.13Å; Y85-G88 WeakPolarHBondContact O-CA 3.28Å; Y85-G88 PolarHBondContact O-N 3.22Å; Y85-H89 HydrophobicContact CD2-CB 3.96Å; Y85-H89 HydrophobicContact CG-CB 4.38Å; Y85-H89 PolarHBondContact N-O 2.92Å; Y85-C91 HydrophobicContact CE2-CB 4.17Å; Y85-P125 HydrophobicContact CD1-CB 4.21Å; Y85-P125 HydrophobicContact CD1-CG 3.83Å; Y85-P125 HydrophobicContact CD2-CG 4.39Å; Y85-P125 HydrophobicContact CE1-CB 3.73Å; Y85-P125 HydrophobicContact CE1-CG 3.77Å; Y85-P125 HydrophobicContact CE2-CG 4.33Å; Y85-P125 HydrophobicContact CG-CG 4.15Å; Y85-D127 WeakPolarHBondContact CE1-OD2 3.46Å; Y85-D127 PolarHBondContact OH-OD1 3.12Å; Y85-D127 PolarHBondContact OH-OD2 3.24Å; Y85-N128 WeakPolarHBondContact CA-OD1 3.15Å; Y85-N128 HydrophobicContact CD1-CB 4.35Å; Y85-Y131 AromaticContact CD1-CD1 3.36Å; Y85-Y131 HydrophobicContact CD1-CD1 3.36Å; Y85-Y131 HydrophobicContact CD1-CE1 4.03Å; Y85-Y131 AromaticContact CD1-CG 3.66Å; Y85-Y131 HydrophobicContact CD1-CG 3.66Å; Y85-Y131 HydrophobicContact CD2-CD1 4.08Å; Y85-Y131 AromaticContact CD2-CE1 3.88Å; Y85-Y131 HydrophobicContact CD2-CE1 3.88Å; Y85-Y131 VanDerWaalsContact CE1-CB 3.45Å; Y85-Y131 AromaticContact CE1-CD1 3.6Å; Y85-Y131 HydrophobicContact CE1-CD1 3.6Å; Y85-Y131 AromaticContact CE1-CD2 3.92Å; Y85-Y131 HydrophobicContact CE1-CD2 3.92Å; Y85-Y131 HydrophobicContact CE1-CE1 4.28Å; Y85-Y131 AromaticContact CE1-CG 3.38Å; Y85-Y131 HydrophobicContact CE1-CG 3.38Å; Y85-Y131 HydrophobicContact CE2-CD1 4.27Å; Y85-Y131 HydrophobicContact CE2-CD2 4.45Å; Y85-Y131 HydrophobicContact CE2-CE1 4.14Å; Y85-Y131 HydrophobicContact CE2-CE2 4.33Å; Y85-Y131 HydrophobicContact CE2-CG 4.43Å; Y85-Y131 AromaticContact CG-CD1 3.61Å; Y85-Y131 HydrophobicContact CG-CD1 3.61Å; Y85-Y131 AromaticContact CG-CE1 3.81Å; Y85-Y131 HydrophobicContact CG-CE1 3.81Å; Y85-Y131 HydrophobicContact CG-CG 4.28Å; Y85-Y131 AromaticContact CZ-CD2 3.86Å; Y85-Y131 AromaticContact CZ-CG 3.8Å; Y85-W144 AromaticContact CE2-CZ3 3.84Å; Y85-W144 HydrophobicContact CE2-CZ3 3.84Å
86	S	86.2	Confident	88.2	Confident	35 Å²	35	38.2 Å²	38.2	25%	0.245	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.6	-177	69.5	0	0	0	0	115	I78 G88 N128 V132	I78-S86 VanDerWaalsContact CD1-O 3.27Å; I78-S86 WeakPolarHBondContact CD1-O 3.37Å; S86-G88 VanDerWaalsContact C-N 3.27Å; S86-N128 PolarHBondContact N-OD1 3.41Å; S86-N128 PolarHBondContact OG-ND2 3.21Å; S86-N128 PolarHBondContact OG-OD1 2.63Å; S86-V132 WeakPolarHBondContact OG-CG2 3.13Å
87	N	83.4	Confident	88.2	Confident	47 Å²	47	34.6 Å²	34.6	25%	0.251	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	4.2	169.8	64.3	-2.6	0	0	0	112.5	Y85 H89 V132 C135	Y85-N87 WeakPolarHBondContact CB-OD1 3.44Å; Y85-N87 PolarHBondContact O-N 2.85Å; Y85-N87 VanDerWaalsContact O-N 3.13Å; N87-H89 PolarHBondContact ND2-CD2 3.09Å; N87-H89 PolarHBondContact ND2-CE1 2.84Å; N87-H89 PolarHBondContact ND2-NE2 3.11Å; N87-H89 WeakPolarHBondContact OD1-CB 3.3Å; N87-H89 PolarHBondContact OD1-CD2 2.99Å; N87-H89 VanDerWaalsContact OD1-CG 3.31Å; N87-H89 PolarHBondContact OD1-N 2.61Å; N87-V132 HydrophobicContact CB-CG1 4.43Å; N87-V132 HydrophobicContact CB-CG2 4.24Å; N87-C135 PolarHBondContact ND2-SG 3.05Å
88	G	87.4	Confident	88.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	87.7	-0.7	-179.3	0	0	0	0	0	114.5	M72 F73 Y85 S86 I90	M72-G88 CarbonylContact C-O 3.44Å; M72-G88 WeakPolarHBondContact CA-O 3.45Å; M72-G88 VanDerWaalsContact CB-O 3.31Å; M72-G88 WeakPolarHBondContact CB-O 3.48Å; F73-G88 PolarHBondContact N-O 2.89Å; F73-G88 WeakPolarHBondContact O-CA 3.37Å; Y85-G88 WeakPolarHBondContact O-CA 3.28Å; Y85-G88 PolarHBondContact O-N 3.22Å; S86-G88 VanDerWaalsContact C-N 3.27Å; G88-I90 PolarHBondContact O-N 3.15Å
89	H	88.4	Confident	88.2	Confident	7 Å²	7	35.6 Å²	35.6	3%	0.032	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-65.3	140.2	177.4	-68	-166.9	0	0	0	110.6	V84 Y85 N87 Y131 P139 W144	V84-H89 WeakPolarHBondContact CA-O 3.4Å; Y85-H89 HydrophobicContact CD2-CB 3.96Å; Y85-H89 HydrophobicContact CG-CB 4.38Å; Y85-H89 PolarHBondContact N-O 2.92Å; N87-H89 PolarHBondContact ND2-CD2 3.09Å; N87-H89 PolarHBondContact ND2-CE1 2.84Å; N87-H89 PolarHBondContact ND2-NE2 3.11Å; N87-H89 WeakPolarHBondContact OD1-CB 3.3Å; N87-H89 PolarHBondContact OD1-CD2 2.99Å; N87-H89 VanDerWaalsContact OD1-CG 3.31Å; N87-H89 PolarHBondContact OD1-N 2.61Å; H89-Y131 HydrophobicContact CB-CE1 3.92Å; H89-Y131 AromaticContact CG-CE1 3.87Å; H89-Y131 AromaticContact ND1-CE1 3.24Å; H89-Y131 WeakPolarHBondContact ND1-CE1 3.28Å; H89-Y131 AromaticContact ND1-CZ 3.49Å; H89-Y131 PolarHBondContact ND1-OH 3.13Å; H89-P139 VanDerWaalsContact CE1-CD 3.43Å; H89-P139 WeakPolarHBondContact CE1-CD 3.13Å; H89-P139 WeakPolarHBondContact NE2-CD 3.48Å; H89-W144 HydrophobicContact CB-CH2 4.45Å
90	I	90.8	Very high	88.3	Confident	6 Å²	6	37.9 Å²	37.9	3%	0.031	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-111.7	127.2	-178.4	-55.3	174.3	0	0	0	108.1	L56 V71 F73 G88 L92 L95 I112 M115 W144	L56-I90 HydrophobicContact CD2-CD1 3.71Å; V71-I90 HydrophobicContact CG1-CD1 4.11Å; F73-I90 HydrophobicContact CD2-CD1 3.58Å; F73-I90 HydrophobicContact CD2-CG1 3.54Å; F73-I90 HydrophobicContact CE2-CD1 3.47Å; F73-I90 VanDerWaalsContact CE2-CD1 3.47Å; F73-I90 HydrophobicContact CE2-CG1 3.64Å; F73-I90 HydrophobicContact CG-CD1 4.42Å; F73-I90 HydrophobicContact CZ-CD1 4.26Å; G88-I90 PolarHBondContact O-N 3.15Å; I90-L92 HydrophobicContact CG2-CB 4.32Å; I90-L92 HydrophobicContact CG2-CD1 3.69Å; I90-L92 HydrophobicContact CG2-CG 3.71Å; I90-L95 HydrophobicContact CB-CD1 4.24Å; I90-L95 HydrophobicContact CG2-CD1 4.36Å; I90-I112 HydrophobicContact CD1-CD1 3.86Å; I90-I112 HydrophobicContact CD1-CG1 4.37Å; I90-M115 HydrophobicContact CG2-CE 4.49Å; I90-M115 HydrophobicContact CG2-SD 4.38Å; I90-W144 WeakPolarHBondContact O-CH2 3.4Å
91	C	86.3	Confident	88.2	Confident	22 Å²	22	37.8 Å²	37.8	15%	0.149	21%	0.21	C	C	.	.			trans	-96.2	91.4	174.1	-163.2	0	0	0	0	109.2	H83 Y85 W144	H83-C91 HydrophobicContact CB-CB 4.36Å; H83-C91 PolarHBondContact O-N 3.48Å; Y85-C91 HydrophobicContact CE2-CB 4.17Å; C91-W144 HydrophobicContact CB-CE3 4.43Å; C91-W144 HydrophobicContact CB-CZ3 3.8Å
92	L	88	Confident	88.2	Confident	30 Å²	30	41.9 Å²	41.9	16%	0.157	25%	0.245	C	C	.	.			trans	-135.1	133.5	174.2	-74.9	174.6	0	0	0	109.5	I90 I94 L95 I112 M115	I90-L92 HydrophobicContact CG2-CB 4.32Å; I90-L92 HydrophobicContact CG2-CD1 3.69Å; I90-L92 HydrophobicContact CG2-CG 3.71Å; L92-I94 HydrophobicContact CB-CG2 3.95Å; L92-I94 HydrophobicContact CD1-CG2 4.45Å; L92-I94 PolarHBondContact O-N 2.6Å; L92-L95 HydrophobicContact CB-CD1 4.43Å; L92-L95 HydrophobicContact CB-CG 4.43Å; L92-L95 WeakPolarHBondContact O-CB 3.44Å; L92-L95 PolarHBondContact O-N 2.72Å; L92-I112 HydrophobicContact CD1-CG1 3.65Å; L92-M115 HydrophobicContact CD1-SD 4.03Å; L92-M115 HydrophobicContact CD2-CB 4.27Å; L92-M115 HydrophobicContact CD2-CG 4.14Å; L92-M115 HydrophobicContact CD2-SD 3.66Å; L92-M115 HydrophobicContact CG-SD 3.86Å
93	S	86.4	Confident	88.4	Confident	44 Å²	44	41.3 Å²	41.3	31%	0.308	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-59.4	-31.3	-179.9	63.4	0	0	0	0	112.6	L95 T96 E97 D98	S93-L95 PolarHBondContact O-N 2.8Å; S93-L95 VanDerWaalsContact O-N 3.09Å; S93-T96 WeakPolarHBondContact CA-OG1 3.39Å; S93-T96 CarbonylContact O-C 3.42Å; S93-T96 PolarHBondContact O-N 2.76Å; S93-T96 PolarHBondContact O-OG1 3.2Å; S93-E97 PolarHBondContact O-N 2.98Å; S93-E97 VanDerWaalsContact O-N 3.15Å; S93-D98 WeakPolarHBondContact CB-OD2 3.36Å; S93-D98 PolarHBondContact O-N 2.68Å; S93-D98 PolarHBondContact OG-OD2 2.78Å
94	I	89.9	Confident	88.5	Confident	17 Å²	17	38.3 Å²	38.3	9%	0.087	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-58	-23.9	174.9	-159.3	174.6	0	0	0	113.1	L92 W99 L103 V108 S111	L92-I94 HydrophobicContact CB-CG2 3.95Å; L92-I94 HydrophobicContact CD1-CG2 4.45Å; L92-I94 PolarHBondContact O-N 2.6Å; I94-W99 WeakPolarHBondContact O-CB 3.25Å; I94-L103 HydrophobicContact CD1-CD1 4.02Å; I94-L103 HydrophobicContact CD1-CD2 4.41Å; I94-L103 HydrophobicContact CG1-CD1 3.52Å; I94-V108 HydrophobicContact CD1-CG2 4.16Å; I94-V108 HydrophobicContact CG1-CG2 4.45Å; I94-S111 WeakPolarHBondContact CD1-OG 3.43Å
95	L	88	Confident	88.4	Confident	16 Å²	16	38.2 Å²	38.2	8%	0.084	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-90.9	-9.4	178.4	-61.6	177	0	0	0	112.8	S68 V71 I90 L92 S93 V108	S68-L95 WeakPolarHBondContact CB-O 3.45Å; S68-L95 PolarHBondContact OG-O 2.74Å; V71-L95 HydrophobicContact CB-CD1 3.99Å; V71-L95 HydrophobicContact CB-CD2 4.02Å; V71-L95 HydrophobicContact CG2-CD1 4.5Å; V71-L95 HydrophobicContact CG2-CD2 3.61Å; I90-L95 HydrophobicContact CB-CD1 4.24Å; I90-L95 HydrophobicContact CG2-CD1 4.36Å; L92-L95 HydrophobicContact CB-CD1 4.43Å; L92-L95 HydrophobicContact CB-CG 4.43Å; L92-L95 WeakPolarHBondContact O-CB 3.44Å; L92-L95 PolarHBondContact O-N 2.72Å; S93-L95 PolarHBondContact O-N 2.8Å; S93-L95 VanDerWaalsContact O-N 3.09Å; L95-V108 HydrophobicContact CD2-CG1 3.73Å; L95-V108 HydrophobicContact CD2-CG2 4.29Å
96	T	85.7	Confident	88.5	Confident	50 Å²	50	40.3 Å²	40.3	31%	0.307	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-96.6	-172	51.8	0	0	0	0	111	S93 Y146	S93-T96 WeakPolarHBondContact CA-OG1 3.39Å; S93-T96 CarbonylContact O-C 3.42Å; S93-T96 PolarHBondContact O-N 2.76Å; S93-T96 PolarHBondContact O-OG1 3.2Å; T96-Y146 WeakPolarHBondContact CB-OH 3.46Å; T96-Y146 WeakPolarHBondContact CG2-OH 3.42Å; T96-Y146 PolarHBondContact OG1-OH 2.7Å
97	E	84.4	Confident	88.8	Confident	133 Å²	133	40.4 Å²	40.4	62%	0.621	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-33.4	-169.7	63.8	-161.6	151.4	0	0	113.8	S93 W99	S93-E97 PolarHBondContact O-N 2.98Å; S93-E97 VanDerWaalsContact O-N 3.15Å; E97-W99 VanDerWaalsContact C-N 3.26Å; E97-W99 PolarHBondContact O-N 3.32Å
98	D	89.6	Confident	89.2	Confident	98 Å²	98	38.2 Å²	38.2	52%	0.524	23%	0.226	S	C	.	.	S	Bend	trans	-87.3	2.2	179.3	-66.8	-29.6	0	0	0	112.3	S93 S100 L103	S93-D98 WeakPolarHBondContact CB-OD2 3.36Å; S93-D98 PolarHBondContact O-N 2.68Å; S93-D98 PolarHBondContact OG-OD2 2.78Å; D98-S100 PolarHBondContact O-N 3.46Å; D98-L103 WeakPolarHBondContact O-CD1 3.47Å
99	W	91	Very high	89.4	Confident	29 Å²	29	38.2 Å²	38.2	11%	0.11	23%	0.226	C	C	.	.			trans	-66.3	127.5	177.7	179.6	-98.5	0	0	0	111	Y64 P65 S68 P69 I94 E97 L103 V108	Y64-W99 HydrophobicContact CD2-CZ2 4.19Å; Y64-W99 AromaticContact CE2-CH2 3.68Å; Y64-W99 HydrophobicContact CE2-CH2 3.68Å; Y64-W99 AromaticContact CE2-CZ2 3.49Å; Y64-W99 HydrophobicContact CE2-CZ2 3.49Å; Y64-W99 VanDerWaalsContact CE2-CZ2 3.49Å; P65-W99 PolarHBondContact O-NE1 3.29Å; S68-W99 VanDerWaalsContact CA-CE2 3.44Å; S68-W99 VanDerWaalsContact CB-CD2 3.48Å; S68-W99 VanDerWaalsContact CB-CG 3.43Å; S68-W99 VanDerWaalsContact N-CD1 3.35Å; P69-W99 HydrophobicContact CG-CH2 4.43Å; P69-W99 HydrophobicContact CG-CZ3 4.48Å; I94-W99 WeakPolarHBondContact O-CB 3.25Å; E97-W99 VanDerWaalsContact C-N 3.26Å; E97-W99 PolarHBondContact O-N 3.32Å; W99-L103 HydrophobicContact CE3-CB 4.09Å; W99-L103 HydrophobicContact CE3-CD1 3.97Å; W99-L103 HydrophobicContact CH2-CB 4.18Å; W99-L103 HydrophobicContact CZ3-CB 3.79Å; W99-L103 HydrophobicContact CZ3-CD1 4.43Å; W99-V108 HydrophobicContact CZ3-CG2 3.84Å
100	S	91.2	Very high	89.5	Confident	50 Å²	50	41.7 Å²	41.7	35%	0.35	25%	0.245	S	C	.	.			trans	-131.6	146.8	172.9	171.2	0	0	0	0	109.6	D98 A102 L103	D98-S100 PolarHBondContact O-N 3.46Å; S100-A102 PolarHBondContact O-N 2.76Å; S100-A102 PolarHBondContact OG-N 2.87Å; S100-L103 WeakPolarHBondContact O-CB 3.42Å; S100-L103 PolarHBondContact O-N 2.81Å
101	P	89.8	Confident	89.5	Confident	49 Å²	49	43.4 Å²	43.4	32%	0.318	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-16.6	172	-23.1	31.9	0	0	0	114.3	R7 P65 F66 L103	R7-P101 PolarHBondContact NH1-O 2.92Å; R7-P101 PolarHBondContact NH2-O 3.41Å; P65-P101 HydrophobicContact CB-CB 4.38Å; P65-P101 HydrophobicContact CG-CB 4.25Å; P65-P101 WeakPolarHBondContact O-CA 3.33Å; F66-P101 HydrophobicContact CD1-CG 3.91Å; F66-P101 HydrophobicContact CE1-CG 4.38Å; P101-L103 VanDerWaalsContact C-N 3.31Å
102	A	90.4	Very high	89.8	Confident	90 Å²	90	42.4 Å²	42.4	74%	0.744	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.1	173.7	0	0	0	0	0	113.1	S100	S100-A102 PolarHBondContact O-N 2.76Å; S100-A102 PolarHBondContact OG-N 2.87Å
103	L	91.8	Very high	89.9	Confident	44 Å²	44	42.4 Å²	42.4	23%	0.23	25%	0.25	C	C	.	.			trans	-76.5	154.7	178.5	-61.9	174.3	0	0	0	111.5	R7 I94 D98 W99 S100 P101	R7-L103 PolarHBondContact NH2-O 2.82Å; I94-L103 HydrophobicContact CD1-CD1 4.02Å; I94-L103 HydrophobicContact CD1-CD2 4.41Å; I94-L103 HydrophobicContact CG1-CD1 3.52Å; D98-L103 WeakPolarHBondContact O-CD1 3.47Å; W99-L103 HydrophobicContact CE3-CB 4.09Å; W99-L103 HydrophobicContact CE3-CD1 3.97Å; W99-L103 HydrophobicContact CH2-CB 4.18Å; W99-L103 HydrophobicContact CZ3-CB 3.79Å; W99-L103 HydrophobicContact CZ3-CD1 4.43Å; S100-L103 WeakPolarHBondContact O-CB 3.42Å; S100-L103 PolarHBondContact O-N 2.81Å; P101-L103 VanDerWaalsContact C-N 3.31Å
104	S	90.3	Very high	90.1	Very high	26 Å²	26	43.9 Å²	43.9	18%	0.182	26%	0.26	C	S	.	.			trans	-123.8	165.2	-178.3	69.1	0	0	0	0	111.7	Q106 S107 V108	S104-Q106 PolarHBondContact O-N 3.07Å; S104-Q106 PolarHBondContact OG-N 3.28Å; S104-S107 PolarHBondContact N-OG 3Å; S104-S107 WeakPolarHBondContact O-CB 3.3Å; S104-S107 PolarHBondContact O-N 3.34Å; S104-S107 PolarHBondContact OG-N 3.07Å; S104-S107 VanDerWaalsContact OG-N 3.13Å; S104-S107 PolarHBondContact OG-OG 2.79Å; S104-V108 PolarHBondContact O-N 3.33Å; S104-V108 VanDerWaalsContact O-N 3.08Å
105	V	90.1	Very high	90.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-39.5	170.8	173	0	0	0	0	110.7	E11 L15 W37 F58 F60 S107 V108 C109	E11-V105 WeakPolarHBondContact OE2-CB 3.37Å; E11-V105 WeakPolarHBondContact OE2-CG2 2.85Å; E11-V105 PolarHBondContact OE2-N 2.84Å; L15-V105 HydrophobicContact CD1-CB 4.13Å; L15-V105 HydrophobicContact CD1-CG1 3.63Å; W37-V105 HydrophobicContact CE3-CG1 4.34Å; W37-V105 HydrophobicContact CE3-CG2 4.46Å; W37-V105 HydrophobicContact CZ3-CB 4.39Å; W37-V105 HydrophobicContact CZ3-CG1 4.32Å; W37-V105 HydrophobicContact CZ3-CG2 4.08Å; F58-V105 HydrophobicContact CD1-CG1 3.97Å; F58-V105 HydrophobicContact CD1-CG2 4.38Å; F58-V105 HydrophobicContact CE1-CG1 3.76Å; F58-V105 HydrophobicContact CG-CG1 4.46Å; F58-V105 HydrophobicContact CZ-CG1 4.07Å; F60-V105 HydrophobicContact CE1-CG2 3.55Å; F60-V105 HydrophobicContact CZ-CG2 3.54Å; V105-S107 VanDerWaalsContact C-N 3.33Å; V105-S107 PolarHBondContact O-N 3.49Å; V105-V108 PolarHBondContact O-N 2.89Å; V105-C109 WeakPolarHBondContact O-CB 3.36Å; V105-C109 PolarHBondContact O-N 2.8Å; V105-C109 PolarHBondContact O-SG 3.28Å
106	Q	90.1	Very high	90.2	Very high	54 Å²	54	43.1 Å²	43.1	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-42.6	175.5	-168	-179.9	6.5	0	0	111.8	L15 D18 P20 S104 V108 C109 L110	L15-Q106 HydrophobicContact CD2-CB 3.87Å; L15-Q106 HydrophobicContact CD2-CG 4.14Å; D18-Q106 PolarHBondContact O-NE2 3.46Å; P20-Q106 HydrophobicContact CG-CG 3.79Å; S104-Q106 PolarHBondContact O-N 3.07Å; S104-Q106 PolarHBondContact OG-N 3.28Å; Q106-V108 VanDerWaalsContact C-N 3.33Å; Q106-V108 PolarHBondContact O-N 3.15Å; Q106-C109 WeakPolarHBondContact O-CB 3.19Å; Q106-C109 PolarHBondContact O-N 3.41Å; Q106-L110 HydrophobicContact CG-CD1 4.37Å; Q106-L110 VanDerWaalsContact O-CG 3.3Å; Q106-L110 WeakPolarHBondContact O-CG 3.37Å; Q106-L110 PolarHBondContact O-N 2.81Å
107	S	91.4	Very high	90.3	Very high	37 Å²	37	42.9 Å²	42.9	26%	0.259	26%	0.257	S	S	.	.	H	α-helix	trans	-60.8	-42.9	175.8	-49.3	0	0	0	0	111.5	S104 V105 L110 S111	S104-S107 PolarHBondContact N-OG 3Å; S104-S107 WeakPolarHBondContact O-CB 3.3Å; S104-S107 PolarHBondContact O-N 3.34Å; S104-S107 PolarHBondContact OG-N 3.07Å; S104-S107 VanDerWaalsContact OG-N 3.13Å; S104-S107 PolarHBondContact OG-OG 2.79Å; V105-S107 VanDerWaalsContact C-N 3.33Å; V105-S107 PolarHBondContact O-N 3.49Å; S107-L110 PolarHBondContact O-N 2.79Å; S107-S111 PolarHBondContact O-N 3.37Å; S107-S111 PolarHBondContact O-OG 3.4Å; S107-S111 VanDerWaalsContact O-OG 3.1Å
108	V	92.4	Very high	90.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-45.7	176.5	176	0	0	0	0	111.5	F58 V71 I94 L95 W99 S104 V105 Q106 L110 S111 I112	F58-V108 HydrophobicContact CE1-CB 4.2Å; F58-V108 HydrophobicContact CE1-CG1 3.83Å; F58-V108 HydrophobicContact CZ-CG1 4.21Å; V71-V108 HydrophobicContact CG2-CG1 4.16Å; I94-V108 HydrophobicContact CD1-CG2 4.16Å; I94-V108 HydrophobicContact CG1-CG2 4.45Å; L95-V108 HydrophobicContact CD2-CG1 3.73Å; L95-V108 HydrophobicContact CD2-CG2 4.29Å; W99-V108 HydrophobicContact CZ3-CG2 3.84Å; S104-V108 PolarHBondContact O-N 3.33Å; S104-V108 VanDerWaalsContact O-N 3.08Å; V105-V108 PolarHBondContact O-N 2.89Å; Q106-V108 VanDerWaalsContact C-N 3.33Å; Q106-V108 PolarHBondContact O-N 3.15Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.32Å; V108-S111 PolarHBondContact O-N 3.04Å; V108-I112 HydrophobicContact CG1-CD1 4Å; V108-I112 WeakPolarHBondContact O-CG1 3.33Å; V108-I112 PolarHBondContact O-N 3.17Å
109	C	91.3	Very high	90.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-55.1	-48.6	174.8	-75.8	0	0	0	0	111.8	P20 M23 F58 V105 Q106 S111 I112 I113	P20-C109 HydrophobicContact CG-CB 4.29Å; M23-C109 HydrophobicContact CE-CB 3.55Å; M23-C109 WeakPolarHBondContact CE-SG 3.43Å; M23-C109 HydrophobicContact SD-CB 3.48Å; M23-C109 WeakPolarHBondContact SD-CB 3.39Å; F58-C109 VanDerWaalsContact CZ-SG 3.53Å; V105-C109 WeakPolarHBondContact O-CB 3.36Å; V105-C109 PolarHBondContact O-N 2.8Å; V105-C109 PolarHBondContact O-SG 3.28Å; Q106-C109 WeakPolarHBondContact O-CB 3.19Å; Q106-C109 PolarHBondContact O-N 3.41Å; C109-S111 PolarHBondContact O-N 3.46Å; C109-I112 PolarHBondContact O-N 3.21Å; C109-I113 WeakPolarHBondContact O-CG1 3.45Å; C109-I113 PolarHBondContact O-N 2.94Å
110	L	90.3	Very high	90	Very high	80 Å²	80	44.5 Å²	44.5	42%	0.419	27%	0.27	S	S	.	.	H	α-helix	trans	-62.1	-41.4	176.9	-71	169.9	0	0	0	112.3	P20 Q106 S107 V108 I112 I113 S114	P20-L110 HydrophobicContact CB-CD2 3.88Å; P20-L110 HydrophobicContact CB-CG 4.46Å; P20-L110 HydrophobicContact CG-CD2 4.23Å; P20-L110 HydrophobicContact CG-CG 4.3Å; Q106-L110 HydrophobicContact CG-CD1 4.37Å; Q106-L110 VanDerWaalsContact O-CG 3.3Å; Q106-L110 WeakPolarHBondContact O-CG 3.37Å; Q106-L110 PolarHBondContact O-N 2.81Å; S107-L110 PolarHBondContact O-N 2.79Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-L110 PolarHBondContact O-N 3.32Å; L110-I112 VanDerWaalsContact C-N 3.31Å; L110-I112 PolarHBondContact O-N 3Å; L110-I113 PolarHBondContact O-N 2.78Å; L110-S114 WeakPolarHBondContact O-CB 3.49Å; L110-S114 PolarHBondContact O-N 3.17Å
111	S	91.9	Very high	89.7	Confident	42 Å²	42	47 Å²	47	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-39.6	174.8	-63.4	0	0	0	0	112.2	I94 S107 V108 C109 S114 M115	I94-S111 WeakPolarHBondContact CD1-OG 3.43Å; S107-S111 PolarHBondContact O-N 3.37Å; S107-S111 PolarHBondContact O-OG 3.4Å; S107-S111 VanDerWaalsContact O-OG 3.1Å; V108-S111 PolarHBondContact O-N 3.04Å; C109-S111 PolarHBondContact O-N 3.46Å; S111-S114 PolarHBondContact O-N 3.49Å; S111-M115 VanDerWaalsContact O-CB 3.25Å; S111-M115 WeakPolarHBondContact O-CB 3.48Å; S111-M115 PolarHBondContact O-N 2.98Å
112	I	92.2	Very high	89.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.3	-43.4	177.5	-64	164.5	0	0	0	111	M41 L56 V71 F73 I90 L92 V108 C109 L110 S114 M115 L116	M41-I112 HydrophobicContact CE-CB 4.18Å; M41-I112 HydrophobicContact CE-CG2 3.75Å; M41-I112 HydrophobicContact SD-CG2 4.24Å; L56-I112 HydrophobicContact CD1-CD1 3.83Å; L56-I112 HydrophobicContact CD1-CG2 4.38Å; L56-I112 HydrophobicContact CD2-CD1 4.13Å; V71-I112 HydrophobicContact CG1-CD1 3.95Å; F73-I112 HydrophobicContact CE1-CG2 4.45Å; F73-I112 HydrophobicContact CE2-CG2 4.26Å; F73-I112 HydrophobicContact CZ-CG2 3.6Å; I90-I112 HydrophobicContact CD1-CD1 3.86Å; I90-I112 HydrophobicContact CD1-CG1 4.37Å; L92-I112 HydrophobicContact CD1-CG1 3.65Å; V108-I112 HydrophobicContact CG1-CD1 4Å; V108-I112 WeakPolarHBondContact O-CG1 3.33Å; V108-I112 PolarHBondContact O-N 3.17Å; C109-I112 PolarHBondContact O-N 3.21Å; L110-I112 VanDerWaalsContact C-N 3.31Å; L110-I112 PolarHBondContact O-N 3Å; I112-S114 VanDerWaalsContact C-N 3.34Å; I112-S114 PolarHBondContact O-N 3.34Å; I112-M115 HydrophobicContact CG2-CE 4.23Å; I112-M115 WeakPolarHBondContact O-CB 3.2Å; I112-M115 PolarHBondContact O-N 3.04Å; I112-L116 HydrophobicContact CG2-CD1 4.4Å; I112-L116 WeakPolarHBondContact O-CG 3.34Å; I112-L116 PolarHBondContact O-N 3.49Å
113	I	90.3	Very high	89.4	Confident	30 Å²	30	52 Å²	52	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-47.8	175.2	-64.6	162.6	0	0	0	110.2	P20 M23 M41 C109 L110 M115 L116 S117	P20-I113 HydrophobicContact CB-CD1 4.02Å; M23-I113 HydrophobicContact CG-CD1 3.81Å; M23-I113 HydrophobicContact CG-CG1 4.36Å; M23-I113 HydrophobicContact SD-CD1 3.32Å; M23-I113 WeakPolarHBondContact SD-CD1 3.22Å; M23-I113 HydrophobicContact SD-CG1 3.74Å; M41-I113 HydrophobicContact CE-CG1 3.66Å; C109-I113 WeakPolarHBondContact O-CG1 3.45Å; C109-I113 PolarHBondContact O-N 2.94Å; L110-I113 PolarHBondContact O-N 2.78Å; I113-M115 VanDerWaalsContact C-N 3.31Å; I113-M115 PolarHBondContact O-N 3.03Å; I113-L116 PolarHBondContact O-N 2.78Å; I113-S117 VanDerWaalsContact O-CB 3.31Å; I113-S117 WeakPolarHBondContact O-CB 3.2Å; I113-S117 PolarHBondContact O-N 3.4Å; I113-S117 PolarHBondContact O-OG 2.99Å
114	S	89.6	Confident	89.1	Confident	75 Å²	75	55.5 Å²	55.5	52%	0.524	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-42.3	180	-173	0	0	0	0	111.3	L110 S111 I112 S117 S118	L110-S114 WeakPolarHBondContact O-CB 3.49Å; L110-S114 PolarHBondContact O-N 3.17Å; S111-S114 PolarHBondContact O-N 3.49Å; I112-S114 VanDerWaalsContact C-N 3.34Å; I112-S114 PolarHBondContact O-N 3.34Å; S114-S117 PolarHBondContact O-N 3.3Å; S114-S118 WeakPolarHBondContact O-CB 3.35Å; S114-S118 PolarHBondContact O-N 2.62Å; S114-S118 PolarHBondContact O-OG 2.77Å
115	M	90.9	Very high	88.7	Confident	12 Å²	12	54.6 Å²	54.6	6%	0.059	28%	0.276	C	S	.	.	H	α-helix	trans	-56.5	-54.3	175.1	176.6	-163	73.8	0	0	110.5	H81 H83 V84 I90 L92 S111 I112 I113 S117 S118 C119	H81-M115 WeakPolarHBondContact CE1-CG 3.31Å; H81-M115 PolarHBondContact NE2-O 2.88Å; H83-M115 HydrophobicContact CB-CG 4.4Å; H83-M115 HydrophobicContact CB-SD 3.56Å; H83-M115 VanDerWaalsContact CB-SD 3.56Å; V84-M115 HydrophobicContact CG2-CE 3.69Å; I90-M115 HydrophobicContact CG2-CE 4.49Å; I90-M115 HydrophobicContact CG2-SD 4.38Å; L92-M115 HydrophobicContact CD1-SD 4.03Å; L92-M115 HydrophobicContact CD2-CB 4.27Å; L92-M115 HydrophobicContact CD2-CG 4.14Å; L92-M115 HydrophobicContact CD2-SD 3.66Å; L92-M115 HydrophobicContact CG-SD 3.86Å; S111-M115 VanDerWaalsContact O-CB 3.25Å; S111-M115 WeakPolarHBondContact O-CB 3.48Å; S111-M115 PolarHBondContact O-N 2.98Å; I112-M115 HydrophobicContact CG2-CE 4.23Å; I112-M115 WeakPolarHBondContact O-CB 3.2Å; I112-M115 PolarHBondContact O-N 3.04Å; I113-M115 VanDerWaalsContact C-N 3.31Å; I113-M115 PolarHBondContact O-N 3.03Å; M115-S117 VanDerWaalsContact C-N 3.32Å; M115-S117 PolarHBondContact O-N 2.88Å; M115-S118 PolarHBondContact O-N 3.39Å; M115-S118 PolarHBondContact O-OG 2.85Å; M115-C119 PolarHBondContact O-N 3.48Å
116	L	89.6	Confident	88.2	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-39.4	179.3	-68.2	178	0	0	0	112.4	M41 Y49 F73 P79 H81 I112 I113 C119	M41-L116 HydrophobicContact SD-CD1 3.73Å; Y49-L116 HydrophobicContact CD2-CB 3.9Å; Y49-L116 HydrophobicContact CD2-CD2 4.18Å; Y49-L116 HydrophobicContact CE1-CD2 4.47Å; Y49-L116 HydrophobicContact CE2-CB 4.03Å; Y49-L116 HydrophobicContact CE2-CD2 3.79Å; Y49-L116 HydrophobicContact CE2-CG 4.49Å; Y49-L116 WeakPolarHBondContact CE2-O 3.27Å; F73-L116 HydrophobicContact CZ-CD1 4.13Å; P79-L116 HydrophobicContact CB-CD2 4.02Å; P79-L116 HydrophobicContact CG-CD2 4.16Å; H81-L116 HydrophobicContact CB-CD2 4.1Å; I112-L116 HydrophobicContact CG2-CD1 4.4Å; I112-L116 WeakPolarHBondContact O-CG 3.34Å; I112-L116 PolarHBondContact O-N 3.49Å; I113-L116 PolarHBondContact O-N 2.78Å; L116-C119 VanDerWaalsContact O-CB 3.28Å; L116-C119 WeakPolarHBondContact O-CB 3.25Å; L116-C119 PolarHBondContact O-N 2.9Å
117	S	88.2	Confident	87.7	Confident	46 Å²	46	59.3 Å²	59.3	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-71.1	-32.3	-177.7	-54.9	0	0	0	0	112.9	I113 S114 M115 C119	I113-S117 VanDerWaalsContact O-CB 3.31Å; I113-S117 WeakPolarHBondContact O-CB 3.2Å; I113-S117 PolarHBondContact O-N 3.4Å; I113-S117 PolarHBondContact O-OG 2.99Å; S114-S117 PolarHBondContact O-N 3.3Å; M115-S117 VanDerWaalsContact C-N 3.32Å; M115-S117 PolarHBondContact O-N 2.88Å; S117-C119 PolarHBondContact O-N 3.16Å
118	S	87.7	Confident	87.1	Confident	84 Å²	84	58.1 Å²	58.1	59%	0.587	30%	0.301	S	S	*	.	H	α-helix	trans	-76.5	-10.4	178	71.3	0	0	0	0	113.6	S114 M115 K120	S114-S118 WeakPolarHBondContact O-CB 3.35Å; S114-S118 PolarHBondContact O-N 2.62Å; S114-S118 PolarHBondContact O-OG 2.77Å; M115-S118 PolarHBondContact O-N 3.39Å; M115-S118 PolarHBondContact O-OG 2.85Å; S118-K120 PolarHBondContact O-N 3.44Å
119	C	85.8	Confident	86.3	Confident	18 Å²	18	62.8 Å²	62.8	12%	0.122	33%	0.333	C	S	.	.			trans	-71.8	123	-176	-161.9	0	0	0	0	111.8	Y49 H81 M115 L116 S117 E121	Y49-C119 HydrophobicContact CE2-CB 4.17Å; H81-C119 VanDerWaalsContact CD2-CB 3.48Å; H81-C119 WeakPolarHBondContact CD2-CB 3.43Å; H81-C119 PolarHBondContact CD2-SG 3.02Å; H81-C119 WeakPolarHBondContact NE2-CB 3.24Å; H81-C119 PolarHBondContact NE2-SG 3.38Å; M115-C119 PolarHBondContact O-N 3.48Å; L116-C119 VanDerWaalsContact O-CB 3.28Å; L116-C119 WeakPolarHBondContact O-CB 3.25Å; L116-C119 PolarHBondContact O-N 2.9Å; S117-C119 PolarHBondContact O-N 3.16Å; C119-E121 PolarHBondContact SG-O 3.17Å
120	K	83.8	Confident	85.5	Confident	191 Å²	191	69.2 Å²	69.2	83%	0.83	36%	0.362	S	S	*	.	S	Bend	trans	-90.6	-19.1	176.8	-63.9	-176.5	-178.7	178.1	0	113.7	S118	S118-K120 PolarHBondContact O-N 3.44Å
121	E	86.3	Confident	84.8	Confident	104 Å²	104	65.9 Å²	65.9	49%	0.486	34%	0.343	S	S	.	.	S	Bend	trans	-146.8	130.6	-177.6	-61.5	-173.5	179.5	0	0	112.6	C119 R123	C119-E121 PolarHBondContact SG-O 3.17Å; E121-R123 HydrophobicContact CB-CG 4.38Å; E121-R123 PolarHBondContact O-N 2.73Å; E121-R123 IonicContact OE1-NH2 2.66Å; E121-R123 IonicContact OE2-CZ 3.14Å; E121-R123 IonicContact OE2-NE 3.21Å; E121-R123 PolarHBondContact OE2-NE 3.02Å; E121-R123 IonicContact OE2-NH2 2.8Å; E121-R123 PolarHBondContact OE2-NH2 3.32Å
122	K	85.7	Confident	84	Confident	87 Å²	87	66.5 Å²	66.5	38%	0.378	35%	0.345	S	S	.	.			trans	-72.2	92.4	174	-66.4	-169	-176.4	-178	0	110.2	L48 Y49 E52 V80	L48-K122 HydrophobicContact CB-CG 4.13Å; L48-K122 HydrophobicContact CD1-CG 3.99Å; L48-K122 WeakPolarHBondContact O-CE 3.44Å; L48-K122 PolarHBondContact O-NZ 3.42Å; Y49-K122 HydrophobicContact CE1-CD 4.26Å; Y49-K122 HydrophobicContact CE1-CG 4.24Å; E52-K122 IonicContact OE1-NZ 2.69Å; E52-K122 PolarHBondContact OE1-NZ 3.31Å; E52-K122 IonicContact OE2-NZ 3.83Å; V80-K122 HydrophobicContact CB-CB 4.34Å; V80-K122 HydrophobicContact CG1-CB 4.18Å
123	R	86.8	Confident	83.1	Confident	157 Å²	157	77.3 Å²	77.3	59%	0.592	39%	0.386	S	S	*	.			trans	-127.8	155.2	171.8	-60.1	-171.9	-171.6	-162.9	2.9	110.3	H81 P82 E121	H81-R123 CarbonylContact C-O 2.8Å; H81-R123 VanDerWaalsContact CA-O 3.22Å; H81-R123 WeakPolarHBondContact CA-O 3.47Å; H81-R123 PolarHBondContact N-O 3.34Å; P82-R123 WeakPolarHBondContact CD-O 3.36Å; E121-R123 HydrophobicContact CB-CG 4.38Å; E121-R123 PolarHBondContact O-N 2.73Å; E121-R123 IonicContact OE1-NH2 2.66Å; E121-R123 IonicContact OE2-CZ 3.14Å; E121-R123 IonicContact OE2-NE 3.21Å; E121-R123 PolarHBondContact OE2-NE 3.02Å; E121-R123 IonicContact OE2-NH2 2.8Å; E121-R123 PolarHBondContact OE2-NH2 3.32Å
124	R	85.5	Confident	82	Confident	116 Å²	116	79.8 Å²	79.8	44%	0.438	40%	0.403	S	S	.	.			trans	-90.3	159.6	172.1	-70.6	-160.8	173.3	163.9	-2	110.8	V80 N128	V80-R124 HydrophobicContact CG1-CG 3.85Å; R124-N128 HydrophobicContact CB-CB 4.22Å
125	P	83.3	Confident	80.6	Confident	7 Å²	7	77.2 Å²	77.2	5%	0.045	38%	0.384	C	S	.	.			trans	-52.3	138.9	169	-18.5	25.3	0	0	0	110.5	H81 P82 V84 Y85 D127 N128	H81-P125 WeakPolarHBondContact O-CD 3.48Å; P82-P125 VanDerWaalsContact O-CG 3.27Å; P82-P125 WeakPolarHBondContact O-CG 3.4Å; V84-P125 VanDerWaalsContact O-CD 3.24Å; V84-P125 WeakPolarHBondContact O-CD 3.27Å; Y85-P125 HydrophobicContact CD1-CB 4.21Å; Y85-P125 HydrophobicContact CD1-CG 3.83Å; Y85-P125 HydrophobicContact CD2-CG 4.39Å; Y85-P125 HydrophobicContact CE1-CB 3.73Å; Y85-P125 HydrophobicContact CE1-CG 3.77Å; Y85-P125 HydrophobicContact CE2-CG 4.33Å; Y85-P125 HydrophobicContact CG-CG 4.15Å; P125-D127 WeakPolarHBondContact CB-OD1 3.24Å; P125-D127 PolarHBondContact O-N 3.15Å; P125-N128 HydrophobicContact CB-CB 4.46Å; P125-N128 WeakPolarHBondContact O-CB 3.43Å; P125-N128 PolarHBondContact O-N 3.42Å
126	P	78.1	Confident	78.9	Confident	127 Å²	127	81.7 Å²	81.7	83%	0.825	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.4	-178.2	25	-33.6	0	0	0	112.5	N128	P126-N128 VanDerWaalsContact C-N 3.33Å
127	D	79.8	Confident	77.3	Confident	26 Å²	26	90.9 Å²	90.9	14%	0.139	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	4.2	176.7	67.6	-39.4	0	0	0	113.4	Y85 P125 S129 F130 Y131	Y85-D127 WeakPolarHBondContact CE1-OD2 3.46Å; Y85-D127 PolarHBondContact OH-OD1 3.12Å; Y85-D127 PolarHBondContact OH-OD2 3.24Å; P125-D127 WeakPolarHBondContact CB-OD1 3.24Å; P125-D127 PolarHBondContact O-N 3.15Å; D127-S129 PolarHBondContact O-N 2.69Å; D127-F130 PolarHBondContact O-N 2.86Å; D127-Y131 WeakPolarHBondContact O-CB 3.12Å; D127-Y131 PolarHBondContact O-N 3.22Å
128	N	78.6	Confident	75.6	Confident	13 Å²	13	91.3 Å²	91.3	7%	0.07	45%	0.447	C	S	.	.	H	α-helix	trans	-51.5	-48.9	-170.6	177.1	80	0	0	0	113.8	Y85 S86 R124 P125 P126 F130 Y131 V132	Y85-N128 WeakPolarHBondContact CA-OD1 3.15Å; Y85-N128 HydrophobicContact CD1-CB 4.35Å; S86-N128 PolarHBondContact N-OD1 3.41Å; S86-N128 PolarHBondContact OG-ND2 3.21Å; S86-N128 PolarHBondContact OG-OD1 2.63Å; R124-N128 HydrophobicContact CB-CB 4.22Å; P125-N128 HydrophobicContact CB-CB 4.46Å; P125-N128 WeakPolarHBondContact O-CB 3.43Å; P125-N128 PolarHBondContact O-N 3.42Å; P126-N128 VanDerWaalsContact C-N 3.33Å; N128-F130 VanDerWaalsContact C-N 3.33Å; N128-F130 PolarHBondContact O-N 3.45Å; N128-Y131 PolarHBondContact O-N 2.75Å; N128-V132 VanDerWaalsContact O-CB 3.32Å; N128-V132 WeakPolarHBondContact O-CB 3.46Å; N128-V132 WeakPolarHBondContact O-CG2 3.47Å; N128-V132 PolarHBondContact O-N 3.29Å
129	S	76.4	Confident	74.2	Confident	98 Å²	98	87.8 Å²	87.8	69%	0.685	42%	0.422	S	S	*	.	H	α-helix	trans	-65.9	-36.4	-178.5	-59.5	0	0	0	0	112.5	D127 R133	D127-S129 PolarHBondContact O-N 2.69Å; S129-R133 WeakPolarHBondContact O-CB 3.39Å; S129-R133 PolarHBondContact O-N 3.23Å
130	F	75.4	Confident	72.6	Confident	136 Å²	136	91.4 Å²	91.4	60%	0.596	44%	0.436	S	S	*	.	H	α-helix	trans	-72.8	-47.1	177.4	-179.1	-95.8	0	0	0	110.8	D127 N128 R133 T134	D127-F130 PolarHBondContact O-N 2.86Å; N128-F130 VanDerWaalsContact C-N 3.33Å; N128-F130 PolarHBondContact O-N 3.45Å; F130-R133 PolarHBondContact O-N 2.98Å; F130-T134 HydrophobicContact CD1-CG2 4.4Å; F130-T134 HydrophobicContact CD2-CG2 4.3Å; F130-T134 HydrophobicContact CE1-CG2 4.06Å; F130-T134 HydrophobicContact CE2-CG2 3.95Å; F130-T134 HydrophobicContact CZ-CG2 3.83Å; F130-T134 WeakPolarHBondContact O-CB 3.44Å; F130-T134 WeakPolarHBondContact O-CG2 3.38Å; F130-T134 PolarHBondContact O-N 2.86Å; F130-T134 PolarHBondContact O-OG1 2.82Å
131	Y	74.8	Confident	71.1	Confident	10 Å²	10	90.1 Å²	90.1	4%	0.039	43%	0.43	C	S	.	.	H	α-helix	trans	-58.7	-53.6	178.1	-176	-89.4	0	0	0	110.6	Y85 H89 D127 N128 R133 T134 C135 T142 W144	Y85-Y131 AromaticContact CD1-CD1 3.36Å; Y85-Y131 HydrophobicContact CD1-CD1 3.36Å; Y85-Y131 HydrophobicContact CD1-CE1 4.03Å; Y85-Y131 AromaticContact CD1-CG 3.66Å; Y85-Y131 HydrophobicContact CD1-CG 3.66Å; Y85-Y131 HydrophobicContact CD2-CD1 4.08Å; Y85-Y131 AromaticContact CD2-CE1 3.88Å; Y85-Y131 HydrophobicContact CD2-CE1 3.88Å; Y85-Y131 VanDerWaalsContact CE1-CB 3.45Å; Y85-Y131 AromaticContact CE1-CD1 3.6Å; Y85-Y131 HydrophobicContact CE1-CD1 3.6Å; Y85-Y131 AromaticContact CE1-CD2 3.92Å; Y85-Y131 HydrophobicContact CE1-CD2 3.92Å; Y85-Y131 HydrophobicContact CE1-CE1 4.28Å; Y85-Y131 AromaticContact CE1-CG 3.38Å; Y85-Y131 HydrophobicContact CE1-CG 3.38Å; Y85-Y131 HydrophobicContact CE2-CD1 4.27Å; Y85-Y131 HydrophobicContact CE2-CD2 4.45Å; Y85-Y131 HydrophobicContact CE2-CE1 4.14Å; Y85-Y131 HydrophobicContact CE2-CE2 4.33Å; Y85-Y131 HydrophobicContact CE2-CG 4.43Å; Y85-Y131 AromaticContact CG-CD1 3.61Å; Y85-Y131 HydrophobicContact CG-CD1 3.61Å; Y85-Y131 AromaticContact CG-CE1 3.81Å; Y85-Y131 HydrophobicContact CG-CE1 3.81Å; Y85-Y131 HydrophobicContact CG-CG 4.28Å; Y85-Y131 AromaticContact CZ-CD2 3.86Å; Y85-Y131 AromaticContact CZ-CG 3.8Å; H89-Y131 HydrophobicContact CB-CE1 3.92Å; H89-Y131 AromaticContact CG-CE1 3.87Å; H89-Y131 AromaticContact ND1-CE1 3.24Å; H89-Y131 WeakPolarHBondContact ND1-CE1 3.28Å; H89-Y131 AromaticContact ND1-CZ 3.49Å; H89-Y131 PolarHBondContact ND1-OH 3.13Å; D127-Y131 WeakPolarHBondContact O-CB 3.12Å; D127-Y131 PolarHBondContact O-N 3.22Å; N128-Y131 PolarHBondContact O-N 2.75Å; Y131-R133 PolarHBondContact O-N 3.37Å; Y131-R133 VanDerWaalsContact O-N 3.15Å; Y131-T134 PolarHBondContact O-N 3.11Å; Y131-T134 VanDerWaalsContact O-N 3.08Å; Y131-T134 PolarHBondContact O-OG1 3.4Å; Y131-C135 HydrophobicContact CD1-CB 3.96Å; Y131-C135 HydrophobicContact CE1-CB 3.78Å; Y131-C135 HydrophobicContact CE2-CB 4.36Å; Y131-C135 HydrophobicContact CG-CB 4.33Å; Y131-C135 WeakPolarHBondContact O-CA 3.06Å; Y131-C135 WeakPolarHBondContact O-CB 3.46Å; Y131-C135 PolarHBondContact O-N 3.41Å; Y131-C135 PolarHBondContact O-SG 2.77Å; Y131-T142 HydrophobicContact CD2-CG2 4.31Å; Y131-T142 HydrophobicContact CE2-CG2 3.66Å; Y131-W144 HydrophobicContact CE2-CE3 4.3Å; Y131-W144 HydrophobicContact CE2-CZ3 4.3Å; Y131-W144 WeakPolarHBondContact OH-CH2 3.33Å; Y131-W144 WeakPolarHBondContact OH-CZ2 3.4Å
132	V	75.6	Confident	69.5	Low	54 Å²	54	86.1 Å²	86.1	33%	0.327	41%	0.413	S	S	.	.	H	α-helix	trans	-59.1	-34.2	-178.6	173.3	0	0	0	0	112.1	S86 N87 N128	S86-V132 WeakPolarHBondContact OG-CG2 3.13Å; N87-V132 HydrophobicContact CB-CG1 4.43Å; N87-V132 HydrophobicContact CB-CG2 4.24Å; N128-V132 VanDerWaalsContact O-CB 3.32Å; N128-V132 WeakPolarHBondContact O-CB 3.46Å; N128-V132 WeakPolarHBondContact O-CG2 3.47Å; N128-V132 PolarHBondContact O-N 3.29Å
133	R	72.6	Confident	67.8	Low	228 Å²	228	89.1 Å²	89.1	86%	0.86	43%	0.426	S	S	*	.	H	α-helix	trans	-76.9	-30.4	178.6	-171	175	177.5	-170.4	-0.8	113.7	S129 F130 Y131	S129-R133 WeakPolarHBondContact O-CB 3.39Å; S129-R133 PolarHBondContact O-N 3.23Å; F130-R133 PolarHBondContact O-N 2.98Å; Y131-R133 PolarHBondContact O-N 3.37Å; Y131-R133 VanDerWaalsContact O-N 3.15Å
134	T	66.8	Low	66.1	Low	82 Å²	82	84 Å²	84	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-103.1	-23.7	-173.9	54.3	0	0	0	0	113.7	F130 Y131	F130-T134 HydrophobicContact CD1-CG2 4.4Å; F130-T134 HydrophobicContact CD2-CG2 4.3Å; F130-T134 HydrophobicContact CE1-CG2 4.06Å; F130-T134 HydrophobicContact CE2-CG2 3.95Å; F130-T134 HydrophobicContact CZ-CG2 3.83Å; F130-T134 WeakPolarHBondContact O-CB 3.44Å; F130-T134 WeakPolarHBondContact O-CG2 3.38Å; F130-T134 PolarHBondContact O-N 2.86Å; F130-T134 PolarHBondContact O-OG1 2.82Å; Y131-T134 PolarHBondContact O-N 3.11Å; Y131-T134 VanDerWaalsContact O-N 3.08Å; Y131-T134 PolarHBondContact O-OG1 3.4Å
135	C	60.8	Low	64.3	Low	20 Å²	20	86.1 Å²	86.1	14%	0.135	42%	0.415	C	S	.	.	S	Bend	trans	-71.9	135.5	-178.2	71.7	0	0	0	0	110.3	N87 Y131 T142	N87-C135 PolarHBondContact ND2-SG 3.05Å; Y131-C135 HydrophobicContact CD1-CB 3.96Å; Y131-C135 HydrophobicContact CE1-CB 3.78Å; Y131-C135 HydrophobicContact CE2-CB 4.36Å; Y131-C135 HydrophobicContact CG-CB 4.33Å; Y131-C135 WeakPolarHBondContact O-CA 3.06Å; Y131-C135 WeakPolarHBondContact O-CB 3.46Å; Y131-C135 PolarHBondContact O-N 3.41Å; Y131-C135 PolarHBondContact O-SG 2.77Å; C135-T142 HydrophobicContact CB-CG2 3.88Å
136	N	56.2	Low	62.6	Low	107 Å²	107	90.2 Å²	90.2	57%	0.572	43%	0.43	S	S	*	.			trans	-74	157.9	172.7	-139.7	-25.7	0	0	0	108.7	N138	N136-N138 CarbonylContact O-C 3.55Å; N136-N138 PolarHBondContact O-N 3Å
137	K	56.1	Low	61.3	Low	198 Å²	198	89.9 Å²	89.9	86%	0.861	42%	0.417	S	S	*	.	S	Bend	trans	-54.6	-10.7	177.8	-69.5	-174.4	177.8	-177	0	114.5	P139	K137-P139 WeakPolarHBondContact O-CD 3.39Å
138	N	52.3	Low	60	Low	55 Å²	55	95.4 Å²	95.4	29%	0.294	45%	0.447	S	S	.	.	S	Bend	trans	-109.4	102.9	176.7	-173	-21	0	0	0	110	Q70 N136 K140 K141	Q70-N138 PolarHBondContact NE2-OD1 3.45Å; N136-N138 CarbonylContact O-C 3.55Å; N136-N138 PolarHBondContact O-N 3Å; N138-K140 PolarHBondContact O-N 2.89Å; N138-K140 WeakPolarHBondContact OD1-CB 3.32Å; N138-K140 PolarHBondContact OD1-N 2.79Å; N138-K140 VanDerWaalsContact OD1-N 3.16Å; N138-K141 PolarHBondContact O-N 3.31Å
139	P	56.8	Low	58.4	Low	10 Å²	10	101.5 Å²	101.5	7%	0.065	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-52.3	-27.2	179.3	-8.6	-4.8	0	0	0	115.3	Q70 M72 H89 K137 K141 T142 W144	Q70-P139 HydrophobicContact CG-CG 4.2Å; Q70-P139 VanDerWaalsContact NE2-CG 3.29Å; M72-P139 HydrophobicContact CE-CG 3.59Å; H89-P139 VanDerWaalsContact CE1-CD 3.43Å; H89-P139 WeakPolarHBondContact CE1-CD 3.13Å; H89-P139 WeakPolarHBondContact NE2-CD 3.48Å; K137-P139 WeakPolarHBondContact O-CD 3.39Å; P139-K141 VanDerWaalsContact C-N 3.31Å; P139-K141 PolarHBondContact O-N 3.01Å; P139-T142 PolarHBondContact O-N 3.19Å; P139-W144 HydrophobicContact CB-CZ2 3.97Å; P139-W144 PolarHBondContact O-NE1 3.48Å; P139-W144 VanDerWaalsContact O-NE1 3.17Å
140	K	52.9	Low	57.2	Low	94 Å²	94	103 Å²	103	41%	0.409	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-74.8	-17.6	-179.6	-66.3	-168	163.9	-150.3	0	114.4	S68 N138	S68-K140 PolarHBondContact O-NZ 3.15Å; S68-K140 WeakPolarHBondContact OG-CE 3.44Å; S68-K140 PolarHBondContact OG-NZ 3.49Å; N138-K140 PolarHBondContact O-N 2.89Å; N138-K140 WeakPolarHBondContact OD1-CB 3.32Å; N138-K140 PolarHBondContact OD1-N 2.79Å; N138-K140 VanDerWaalsContact OD1-N 3.16Å
141	K	52.8	Low	55.8	Low	164 Å²	164	106.2 Å²	106.2	71%	0.713	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-93.1	-7.2	176.3	-71.9	-170.4	174.5	-173.5	0	112.6	N138 P139	N138-K141 PolarHBondContact O-N 3.31Å; P139-K141 VanDerWaalsContact C-N 3.31Å; P139-K141 PolarHBondContact O-N 3.01Å
142	T	51.9	Low	54.8	Low	20 Å²	20	111 Å²	111	12%	0.123	55%	0.545	C	S	.	.	S	Bend	trans	-85.2	129	177.8	-53.8	0	0	0	0	108.8	Y131 C135 P139 W144	Y131-T142 HydrophobicContact CD2-CG2 4.31Å; Y131-T142 HydrophobicContact CE2-CG2 3.66Å; C135-T142 HydrophobicContact CB-CG2 3.88Å; P139-T142 PolarHBondContact O-N 3.19Å; T142-W144 PolarHBondContact O-N 3.38Å; T142-W144 PolarHBondContact O-NE1 3.3Å
143	K	49.7	Very low	53.7	Low	150 Å²	150	114 Å²	114	65%	0.652	56%	0.557	S	S	*	*			trans	-70.2	111.5	171.5	-171.5	177.8	-179.8	-176.2	0	107.6	W145	K143-W145 HydrophobicContact CD-CH2 4.4Å; K143-W145 HydrophobicContact CD-CZ2 3.99Å
144	W	50.9	Low	52.7	Low	49 Å²	49	107.7 Å²	107.7	19%	0.186	54%	0.54	C	S	.	.			trans	-74.1	129.7	178.6	-63.4	81	0	0	0	109	Y85 H89 I90 C91 Y131 P139 T142 Y146	Y85-W144 AromaticContact CE2-CZ3 3.84Å; Y85-W144 HydrophobicContact CE2-CZ3 3.84Å; H89-W144 HydrophobicContact CB-CH2 4.45Å; I90-W144 WeakPolarHBondContact O-CH2 3.4Å; C91-W144 HydrophobicContact CB-CE3 4.43Å; C91-W144 HydrophobicContact CB-CZ3 3.8Å; Y131-W144 HydrophobicContact CE2-CE3 4.3Å; Y131-W144 HydrophobicContact CE2-CZ3 4.3Å; Y131-W144 WeakPolarHBondContact OH-CH2 3.33Å; Y131-W144 WeakPolarHBondContact OH-CZ2 3.4Å; P139-W144 HydrophobicContact CB-CZ2 3.97Å; P139-W144 PolarHBondContact O-NE1 3.48Å; P139-W144 VanDerWaalsContact O-NE1 3.17Å; T142-W144 PolarHBondContact O-N 3.38Å; T142-W144 PolarHBondContact O-NE1 3.3Å; W144-Y146 HydrophobicContact CB-CD2 4.15Å; W144-Y146 HydrophobicContact CB-CE2 3.76Å
145	W	49.5	Very low	51.9	Low	160 Å²	160	109.2 Å²	109.2	61%	0.606	54%	0.542	S	S	*	.			trans	-101.9	93.9	166.9	-58.1	97.1	0	0	0	105.3	K143 H147	K143-W145 HydrophobicContact CD-CH2 4.4Å; K143-W145 HydrophobicContact CD-CZ2 3.99Å; W145-H147 PolarHBondContact O-N 3.36Å; W145-H147 VanDerWaalsContact O-N 3.15Å
146	Y	46.9	Very low	51.3	Low	94 Å²	94	114.8 Å²	114.8	37%	0.369	57%	0.568	S	S	.	*			trans	-66.6	113	173.7	-67.6	-85.7	0	0	0	107.3	T96 W144 D148	T96-Y146 WeakPolarHBondContact CB-OH 3.46Å; T96-Y146 WeakPolarHBondContact CG2-OH 3.42Å; T96-Y146 PolarHBondContact OG1-OH 2.7Å; W144-Y146 HydrophobicContact CB-CD2 4.15Å; W144-Y146 HydrophobicContact CB-CE2 3.76Å; Y146-D148 PolarHBondContact O-N 3.08Å; Y146-D148 VanDerWaalsContact O-N 3.12Å
147	H	51.5	Low	51	Low	120 Å²	120	115.3 Å²	115.3	56%	0.556	57%	0.567	S	S	*	*			trans	-83.4	65.3	164	-68.6	-75.2	0	0	0	107.6	W145 D149	W145-H147 PolarHBondContact O-N 3.36Å; W145-H147 VanDerWaalsContact O-N 3.15Å; H147-D149 PolarHBondContact O-N 2.72Å
148	D	52.3	Low	50.6	Low	142 Å²	142	109.4 Å²	109.4	76%	0.759	55%	0.546	S	S	*	.			trans	-90.6	71.1	165.7	-142.1	12.9	0	0	0	106.2	Y146 T150	Y146-D148 PolarHBondContact O-N 3.08Å; Y146-D148 VanDerWaalsContact O-N 3.12Å; D148-T150 VanDerWaalsContact C-N 3.32Å; D148-T150 PolarHBondContact O-N 2.69Å
149	D	43.4	Very low	50.5	Low	140 Å²	140	113.5 Å²	113.5	75%	0.749	57%	0.566	S	S	*	*			trans	-75.2	97.7	171.4	-73.6	-36.5	0	0	0	106.5	H147 C151	H147-D149 PolarHBondContact O-N 2.72Å; D149-C151 PolarHBondContact O-N 2.99Å
150	T	52.7	Low	50	Low	131 Å²	131	122.2 Å²	122.2	80%	0.804	61%	0.607	S	S	*	*			trans	-52.6	124.3	166.8	-4	0	0	0	0	108.9	D148	D148-T150 VanDerWaalsContact C-N 3.32Å; D148-T150 PolarHBondContact O-N 2.69Å
151	C	45	Very low	49.7	Very low	202 Å²	202	124.7 Å²	124.7	100%	1.365	63%	0.625	S	S	*	*			trans	133.7	0	151.2	-64.4	0	0	0	0	113.3	D149	D149-C151 PolarHBondContact O-N 2.99Å

Retrieved 151 of 151 residues in 91.5 ms (Link to these results)

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