A0A3B3IBX7_ORYLA 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 , UniProt , Accession A0A3B3IBX7, Species ORYLA (Oryzias latipes, Japanese rice fish), Gene UBE2W, Length 151 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 69.3 ms (Link to these results)

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