A0A060VQ37_ONCMY Loading...

Protein-L-isoaspartate O-methyltransferase domain-containing protein 1

Substrate recognition component of an ECS (Elongin BC-CUL5-SOCS-box protein) E3 ubiquitin ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Specifically binds to the methyltransferase cofactor S-adenosylmethionine (AdoMet) via the N-terminal AdoMet binding motif, but does not display methyltransferase activity. May provide an alternate maintenance pathway for modified proteins by acting as a damage-specific E3 ubiquitin ligase adaptor protein.

AlphaFold DB , UniProt , Accession A0A060VQ37, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 361 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	73.1	Confident	89.3	Confident	69 Å²	69	54.5 Å²	54.5	34%	0.34	37%	0.371	S	S	.	.				0	156.7	0	-78.2	-146.1	-71.4	0	0	111	A55 I68 V214 S215 F216	M1-A55 PolarHBondContact O-N 2.85Å; M1-I68 HydrophobicContact CB-CG1 4.42Å; M1-I68 HydrophobicContact CE-CD1 3.78Å; M1-I68 HydrophobicContact CE-CG1 3.74Å; M1-I68 HydrophobicContact CE-CG2 4.17Å; M1-I68 HydrophobicContact SD-CD1 3.72Å; M1-I68 HydrophobicContact SD-CG1 4.16Å; M1-V214 HydrophobicContact CE-CB 3.74Å; M1-V214 HydrophobicContact CE-CG1 3.94Å; M1-V214 WeakPolarHBondContact SD-CA 3.48Å; M1-V214 HydrophobicContact SD-CB 3.29Å; M1-V214 WeakPolarHBondContact SD-CB 3.24Å; M1-V214 HydrophobicContact SD-CG1 3.52Å; M1-V214 VanDerWaalsContact SD-CG1 3.52Å; M1-S215 WeakPolarHBondContact CE-O 3.21Å; M1-S215 VanDerWaalsContact CG-O 3.28Å; M1-S215 WeakPolarHBondContact CG-O 3.43Å; M1-S215 PolarHBondContact SD-N 2.93Å; M1-F216 HydrophobicContact CE-CD1 4.48Å; M1-F216 HydrophobicContact CE-CD2 3.47Å; M1-F216 VanDerWaalsContact CE-CD2 3.47Å; M1-F216 HydrophobicContact CE-CE1 4.19Å; M1-F216 HydrophobicContact CE-CE2 3.1Å; M1-F216 HydrophobicContact CE-CG 4.18Å; M1-F216 HydrophobicContact CE-CZ 3.53Å; M1-F216 HydrophobicContact SD-CE2 4.45Å
2	G	82.7	Confident	90	Very high	38 Å²	38	55.5 Å²	55.5	39%	0.392	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	117.8	-171.1	-177.5	0	0	0	0	0	112.5	D53	G2-D53 CarbonylContact C-O 3.33Å; G2-D53 WeakPolarHBondContact CA-O 3.44Å
3	G	85.7	Confident	90.6	Very high	58 Å²	58	53.3 Å²	53.3	60%	0.598	35%	0.352	S	S	*	.			trans	92.9	16.5	177.4	0	0	0	0	0	113.5	D53	G3-D53 PolarHBondContact N-O 2.77Å; G3-D53 PolarHBondContact N-OD2 2.88Å
4	A	86.1	Confident	91.1	Very high	45 Å²	45	49.6 Å²	49.6	37%	0.372	33%	0.327	S	S	.	.	S	Bend	trans	-75.9	-27.2	178.4	0	0	0	0	0	112.4	Y23 D53 C67	A4-Y23 HydrophobicContact CB-CE1 4.45Å; A4-Y23 HydrophobicContact CB-CE2 3.63Å; A4-Y23 VanDerWaalsContact CB-OH 3.28Å; A4-Y23 WeakPolarHBondContact CB-OH 3.49Å; A4-D53 WeakPolarHBondContact CB-OD2 3.36Å; A4-D53 PolarHBondContact N-OD2 2.84Å; A4-C67 HydrophobicContact CB-CB 4.16Å
5	V	91.8	Very high	91.5	Very high	21 Å²	21	46.3 Å²	46.3	13%	0.127	31%	0.306	C	S	.	.	S	Bend	trans	-132.1	160.7	-179.3	-57.4	0	0	0	0	112.2	L14 N17 L18 A21 Y23 D53	V5-L14 HydrophobicContact CG2-CD1 4.29Å; V5-N17 HydrophobicContact CB-CB 4.14Å; V5-N17 HydrophobicContact CG2-CB 4.26Å; V5-L18 HydrophobicContact CG1-CD2 4.23Å; V5-L18 HydrophobicContact CG2-CD2 3.77Å; V5-L18 HydrophobicContact CG2-CG 4.15Å; V5-A21 HydrophobicContact CG1-CB 3.4Å; V5-Y23 HydrophobicContact CG1-CD2 4.4Å; V5-D53 HydrophobicContact CG2-CB 3.57Å
6	S	90.5	Very high	91.9	Very high	78 Å²	78	45.4 Å²	45.4	55%	0.545	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-65.3	154.6	173.6	45	0	0	0	0	112.2	N17	S6-N17 PolarHBondContact O-ND2 3.35Å; S6-N17 PolarHBondContact OG-ND2 3.34Å
7	A	93.1	Very high	92.3	Very high	58 Å²	58	44.7 Å²	44.7	48%	0.479	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-62.1	139.3	171.3	0	0	0	0	0	111	Y51 K52	A7-Y51 WeakPolarHBondContact CA-O 3.5Å; A7-K52 HydrophobicContact CB-CG 3.89Å
8	G	94	Very high	92.6	Very high	15 Å²	15	42.2 Å²	42.2	16%	0.155	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-84.7	157.6	168.7	0	0	0	0	0	111.7	D10 Y51	G8-D10 VanDerWaalsContact C-N 3.32Å; G8-Y51 PolarHBondContact N-O 2.98Å
9	E	93.8	Very high	92.8	Very high	139 Å²	139	44.4 Å²	44.4	65%	0.65	28%	0.279	S	S	*	.	S	Bend	trans	-73.2	-32.2	169.2	-57.4	-178.4	179.2	0	0	110.1	D13 K277	E9-D13 WeakPolarHBondContact CB-OD2 3.32Å; E9-D13 PolarHBondContact N-OD2 3.24Å; E9-K277 IonicContact OE1-NZ 3.73Å; E9-K277 PolarHBondContact OE1-NZ 3.46Å
10	D	95.3	Very high	93.1	Very high	70 Å²	70	50.1 Å²	50.1	37%	0.374	30%	0.302	S	S	.	.	S	Bend	trans	-141.6	-170.5	173.5	63.5	29.6	0	0	0	112.4	G8 D12 D13 L14	G8-D10 VanDerWaalsContact C-N 3.32Å; D10-D12 WeakPolarHBondContact OD1-CA 3.49Å; D10-D12 PolarHBondContact OD1-N 3.22Å; D10-D13 PolarHBondContact OD1-N 2.87Å; D10-L14 PolarHBondContact O-N 3.22Å; D10-L14 VanDerWaalsContact O-N 3.15Å
11	N	96.7	Very high	93.2	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.048	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-41.6	178.1	-171.3	76.5	0	0	0	111.8	L14 I15 F33 R38 Y51	N11-L14 WeakPolarHBondContact O-CB 3.07Å; N11-L14 PolarHBondContact O-N 3.34Å; N11-I15 WeakPolarHBondContact O-CG1 3.31Å; N11-I15 PolarHBondContact O-N 2.86Å; N11-F33 PolarHBondContact ND2-O 3.18Å; N11-R38 PolarHBondContact OD1-N 2.91Å; N11-R38 VanDerWaalsContact OD1-N 3.15Å; N11-Y51 HydrophobicContact CB-CD1 4.27Å; N11-Y51 HydrophobicContact CB-CE1 3.94Å
12	D	97	Very high	94.3	Very high	66 Å²	66	52.3 Å²	52.3	35%	0.353	32%	0.316	S	S	.	.	H	α-helix	trans	-68.8	-39.6	-175.8	-87.9	-29.8	0	0	0	112.1	D10 I15 D16 R34	D10-D12 WeakPolarHBondContact OD1-CA 3.49Å; D10-D12 PolarHBondContact OD1-N 3.22Å; D12-I15 PolarHBondContact O-N 2.95Å; D12-D16 PolarHBondContact O-N 2.98Å; D12-R34 VanDerWaalsContact CG-NH1 3.35Å; D12-R34 PolarHBondContact O-NH1 2.76Å; D12-R34 WeakPolarHBondContact OD1-CD 3.41Å; D12-R34 VanDerWaalsContact OD1-CG 3.28Å; D12-R34 WeakPolarHBondContact OD1-CG 3.25Å; D12-R34 IonicContact OD1-CZ 2.68Å; D12-R34 IonicContact OD1-NE 3.94Å; D12-R34 IonicContact OD1-NH1 3.52Å; D12-R34 PolarHBondContact OD1-NH1 3.37Å
13	D	97.6	Very high	95	Very high	27 Å²	27	53.3 Å²	53.3	14%	0.144	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-40.5	172.4	-83.8	1.3	0	0	0	111.6	E9 D10 I15 D16 N17	E9-D13 WeakPolarHBondContact CB-OD2 3.32Å; E9-D13 PolarHBondContact N-OD2 3.24Å; D10-D13 PolarHBondContact OD1-N 2.87Å; D13-I15 VanDerWaalsContact C-N 3.32Å; D13-I15 PolarHBondContact O-N 2.72Å; D13-D16 PolarHBondContact O-N 3.31Å; D13-N17 VanDerWaalsContact O-CG 3.31Å; D13-N17 PolarHBondContact O-N 3.41Å
14	L	97.6	Very high	95.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-42.1	173.4	170.6	64.5	0	0	0	110.9	V5 D10 N11 N17 L18 P66	V5-L14 HydrophobicContact CG2-CD1 4.29Å; D10-L14 PolarHBondContact O-N 3.22Å; D10-L14 VanDerWaalsContact O-N 3.15Å; N11-L14 WeakPolarHBondContact O-CB 3.07Å; N11-L14 PolarHBondContact O-N 3.34Å; L14-N17 PolarHBondContact O-N 3.37Å; L14-L18 HydrophobicContact CD1-CD1 4.21Å; L14-L18 HydrophobicContact CD1-CG 4.35Å; L14-L18 HydrophobicContact CG-CD1 4.13Å; L14-L18 WeakPolarHBondContact O-CG 3.35Å; L14-L18 PolarHBondContact O-N 3.35Å; L14-P66 HydrophobicContact CD1-CB 4.34Å; L14-P66 HydrophobicContact CD1-CG 4.27Å; L14-P66 HydrophobicContact CD2-CB 4.07Å; L14-P66 HydrophobicContact CD2-CG 3.68Å; L14-P66 HydrophobicContact CG-CG 4.49Å
15	I	98.1	Very high	96.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-40.3	178.4	-58.3	-30	0	0	0	110.8	N11 D12 D13 L18 K19 I24 E30 F33 R34	N11-I15 WeakPolarHBondContact O-CG1 3.31Å; N11-I15 PolarHBondContact O-N 2.86Å; D12-I15 PolarHBondContact O-N 2.95Å; D13-I15 VanDerWaalsContact C-N 3.32Å; D13-I15 PolarHBondContact O-N 2.72Å; I15-L18 HydrophobicContact CD1-CD1 4.23Å; I15-L18 PolarHBondContact O-N 3.31Å; I15-K19 WeakPolarHBondContact O-CB 3.32Å; I15-K19 PolarHBondContact O-N 3.11Å; I15-I24 HydrophobicContact CG2-CD1 3.87Å; I15-E30 HydrophobicContact CG2-CG 4.04Å; I15-F33 HydrophobicContact CD1-CB 3.69Å; I15-F33 HydrophobicContact CD1-CD1 3.67Å; I15-F33 HydrophobicContact CD1-CG 4.1Å; I15-F33 HydrophobicContact CG1-CB 3.97Å; I15-F33 HydrophobicContact CG2-CB 4.45Å; I15-R34 HydrophobicContact CB-CG 4.28Å; I15-R34 HydrophobicContact CG1-CG 4.11Å; I15-R34 HydrophobicContact CG2-CG 4.02Å
16	D	98	Very high	96.4	Very high	32 Å²	32	54.8 Å²	54.8	17%	0.171	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-47.7	174.5	-84	-13	0	0	0	110.9	D12 D13 L18 K19 E20 R34 R271	D12-D16 PolarHBondContact O-N 2.98Å; D13-D16 PolarHBondContact O-N 3.31Å; D16-L18 VanDerWaalsContact C-N 3.35Å; D16-L18 PolarHBondContact O-N 3.42Å; D16-K19 PolarHBondContact O-N 2.81Å; D16-E20 WeakPolarHBondContact O-CG 3.37Å; D16-E20 PolarHBondContact O-N 2.84Å; D16-R34 IonicContact OD1-CZ 3Å; D16-R34 IonicContact OD1-NH1 2.69Å; D16-R34 IonicContact OD1-NH2 2.65Å; D16-R34 PolarHBondContact OD1-NH2 3.04Å; D16-R271 IonicContact OD1-NH2 3.82Å; D16-R271 IonicContact OD2-NH2 2.72Å; D16-R271 PolarHBondContact OD2-NH2 3.19Å
17	N	97.7	Very high	96.7	Very high	34 Å²	34	53 Å²	53	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-42.7	176.4	-70.2	-20.9	0	0	0	112.6	V5 S6 D13 L14 K19 A21	V5-N17 HydrophobicContact CB-CB 4.14Å; V5-N17 HydrophobicContact CG2-CB 4.26Å; S6-N17 PolarHBondContact O-ND2 3.35Å; S6-N17 PolarHBondContact OG-ND2 3.34Å; D13-N17 VanDerWaalsContact O-CG 3.31Å; D13-N17 PolarHBondContact O-N 3.41Å; L14-N17 PolarHBondContact O-N 3.37Å; N17-K19 VanDerWaalsContact C-N 3.34Å; N17-A21 WeakPolarHBondContact O-CB 3.43Å; N17-A21 PolarHBondContact O-N 2.83Å
18	L	97.8	Very high	96.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-35.8	177.8	-71.5	166.1	0	0	0	112.6	V5 L14 I15 D16 Q22 Y23 I24 P66 C67	V5-L18 HydrophobicContact CG1-CD2 4.23Å; V5-L18 HydrophobicContact CG2-CD2 3.77Å; V5-L18 HydrophobicContact CG2-CG 4.15Å; L14-L18 HydrophobicContact CD1-CD1 4.21Å; L14-L18 HydrophobicContact CD1-CG 4.35Å; L14-L18 HydrophobicContact CG-CD1 4.13Å; L14-L18 WeakPolarHBondContact O-CG 3.35Å; L14-L18 PolarHBondContact O-N 3.35Å; I15-L18 HydrophobicContact CD1-CD1 4.23Å; I15-L18 PolarHBondContact O-N 3.31Å; D16-L18 VanDerWaalsContact C-N 3.35Å; D16-L18 PolarHBondContact O-N 3.42Å; L18-Q22 PolarHBondContact O-N 3.42Å; L18-Y23 HydrophobicContact CD2-CG 4.44Å; L18-Y23 WeakPolarHBondContact O-CB 3.37Å; L18-Y23 PolarHBondContact O-N 3.13Å; L18-I24 HydrophobicContact CB-CD1 3.87Å; L18-I24 HydrophobicContact CB-CG1 4.12Å; L18-I24 HydrophobicContact CD1-CD1 4.12Å; L18-I24 PolarHBondContact O-N 3.36Å; L18-P66 HydrophobicContact CD1-CB 3.68Å; L18-P66 HydrophobicContact CD2-CB 4.36Å; L18-C67 HydrophobicContact CD2-CB 4.03Å
19	K	97.6	Very high	97	Very high	84 Å²	84	53.9 Å²	53.9	37%	0.365	27%	0.269	S	S	.	.	H	α-helix	trans	-71.7	-44.9	177	-178	175.9	173.7	174	0	111.6	I15 D16 N17 A21 Q22 E30	I15-K19 WeakPolarHBondContact O-CB 3.32Å; I15-K19 PolarHBondContact O-N 3.11Å; D16-K19 PolarHBondContact O-N 2.81Å; N17-K19 VanDerWaalsContact C-N 3.34Å; K19-A21 PolarHBondContact O-N 3.48Å; K19-Q22 PolarHBondContact O-N 3.18Å; K19-Q22 PolarHBondContact O-NE2 2.91Å; K19-Q22 VanDerWaalsContact O-NE2 3.11Å; K19-E30 WeakPolarHBondContact CE-OE2 3.18Å; K19-E30 VanDerWaalsContact NZ-CD 3.26Å; K19-E30 IonicContact NZ-OE1 3.57Å; K19-E30 PolarHBondContact NZ-OE1 3.38Å; K19-E30 VanDerWaalsContact NZ-OE1 3.07Å; K19-E30 IonicContact NZ-OE2 2.65Å; K19-E30 PolarHBondContact NZ-OE2 3.32Å
20	E	97.2	Very high	97.2	Very high	157 Å²	157	48.9 Å²	48.9	73%	0.734	25%	0.246	S	C	*	.	H	α-helix	trans	-58.2	-40.4	174.3	-73.3	-172.1	174.6	0	0	111.3	D16 Q22	D16-E20 WeakPolarHBondContact O-CG 3.37Å; D16-E20 PolarHBondContact O-N 2.84Å; E20-Q22 PolarHBondContact O-N 3.18Å
21	A	96.3	Very high	97.2	Very high	44 Å²	44	50.8 Å²	50.8	36%	0.364	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	5.8	176.1	0	0	0	0	0	115	V5 N17 K19 Y23	V5-A21 HydrophobicContact CG1-CB 3.4Å; N17-A21 WeakPolarHBondContact O-CB 3.43Å; N17-A21 PolarHBondContact O-N 2.83Å; K19-A21 PolarHBondContact O-N 3.48Å; A21-Y23 VanDerWaalsContact C-N 3.26Å; A21-Y23 HydrophobicContact CB-CD2 3.78Å; A21-Y23 HydrophobicContact CB-CE2 4.16Å; A21-Y23 PolarHBondContact O-N 3.1Å
22	Q	96.1	Very high	97.3	Very high	123 Å²	123	50.4 Å²	50.4	58%	0.575	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	20	176.7	-57.9	-64.4	-66	0	0	115.9	L18 K19 E20 R25	L18-Q22 PolarHBondContact O-N 3.42Å; K19-Q22 PolarHBondContact O-N 3.18Å; K19-Q22 PolarHBondContact O-NE2 2.91Å; K19-Q22 VanDerWaalsContact O-NE2 3.11Å; E20-Q22 PolarHBondContact O-N 3.18Å; Q22-R25 WeakPolarHBondContact O-CG 3.08Å; Q22-R25 PolarHBondContact O-NH1 2.79Å
23	Y	96.8	Very high	97.3	Very high	59 Å²	59	47.4 Å²	47.4	23%	0.231	23%	0.234	C	C	.	.	S	Bend	trans	-77.4	-37.4	170.6	-77.9	-88.4	0	0	0	111.7	A4 V5 L18 A21 C67 E71	A4-Y23 HydrophobicContact CB-CE1 4.45Å; A4-Y23 HydrophobicContact CB-CE2 3.63Å; A4-Y23 VanDerWaalsContact CB-OH 3.28Å; A4-Y23 WeakPolarHBondContact CB-OH 3.49Å; V5-Y23 HydrophobicContact CG1-CD2 4.4Å; L18-Y23 HydrophobicContact CD2-CG 4.44Å; L18-Y23 WeakPolarHBondContact O-CB 3.37Å; L18-Y23 PolarHBondContact O-N 3.13Å; A21-Y23 VanDerWaalsContact C-N 3.26Å; A21-Y23 HydrophobicContact CB-CD2 3.78Å; A21-Y23 HydrophobicContact CB-CE2 4.16Å; A21-Y23 PolarHBondContact O-N 3.1Å; Y23-C67 HydrophobicContact CD1-CB 3.71Å; Y23-C67 HydrophobicContact CE1-CB 3.75Å; Y23-C67 HydrophobicContact CG-CB 4.19Å; Y23-E71 HydrophobicContact CD1-CG 3.77Å; Y23-E71 HydrophobicContact CE1-CG 4.14Å
24	I	98	Very high	97.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.239	C	C	.	.			trans	-104	122.1	170.9	-63.1	174.1	0	0	0	108.1	I15 L18 V29 E30 F33 S70	I15-I24 HydrophobicContact CG2-CD1 3.87Å; L18-I24 HydrophobicContact CB-CD1 3.87Å; L18-I24 HydrophobicContact CB-CG1 4.12Å; L18-I24 HydrophobicContact CD1-CD1 4.12Å; L18-I24 PolarHBondContact O-N 3.36Å; I24-V29 HydrophobicContact CG1-CG1 4.43Å; I24-V29 HydrophobicContact CG2-CB 4.41Å; I24-V29 HydrophobicContact CG2-CG1 4.18Å; I24-E30 HydrophobicContact CG2-CB 3.81Å; I24-F33 HydrophobicContact CD1-CB 4.31Å; I24-F33 HydrophobicContact CD1-CD1 4.33Å; I24-F33 HydrophobicContact CD1-CD2 4.17Å; I24-F33 HydrophobicContact CD1-CG 4.03Å; I24-S70 WeakPolarHBondContact CG1-OG 3.42Å
25	R	97.2	Very high	97.2	Very high	123 Å²	123	49.4 Å²	49.4	46%	0.464	24%	0.241	S	C	.	.			trans	-123.4	-32.1	-171.1	-62.6	173.5	-77.4	-104.5	7.8	111.7	Q22 E71 E74	Q22-R25 WeakPolarHBondContact O-CG 3.08Å; Q22-R25 PolarHBondContact O-NH1 2.79Å; R25-E71 IonicContact CZ-OE1 3.67Å; R25-E71 IonicContact CZ-OE2 3.37Å; R25-E71 IonicContact NH1-OE1 3.66Å; R25-E71 PolarHBondContact NH1-OE1 3.01Å; R25-E71 IonicContact NH1-OE2 3.4Å; R25-E71 IonicContact NH2-OE1 3.83Å; R25-E71 PolarHBondContact NH2-OE1 3.31Å; R25-E71 IonicContact NH2-OE2 2.76Å; R25-E71 PolarHBondContact NH2-OE2 2.72Å; R25-E74 WeakPolarHBondContact CA-OE1 3.43Å; R25-E74 PolarHBondContact N-OE1 3.39Å; R25-E74 VanDerWaalsContact NH2-CB 3.3Å
26	S	97.5	Very high	97.2	Very high	29 Å²	29	49.4 Å²	49.4	20%	0.203	24%	0.241	C	C	.	.	S	Bend	trans	-97.7	133.6	-175.6	-62.5	0	0	0	0	111.7	Y28 V29 E30 E74	S26-Y28 VanDerWaalsContact C-N 3.29Å; S26-Y28 VanDerWaalsContact CB-CE1 3.45Å; S26-Y28 PolarHBondContact O-N 3.43Å; S26-Y28 PolarHBondContact OG-OH 2.93Å; S26-V29 PolarHBondContact O-N 3.45Å; S26-E30 PolarHBondContact O-N 3.27Å; S26-E74 WeakPolarHBondContact CB-OE1 3.47Å; S26-E74 WeakPolarHBondContact CB-OE2 3.32Å; S26-E74 PolarHBondContact N-OE1 2.93Å; S26-E74 PolarHBondContact OG-OE2 2.65Å
27	G	96.7	Very high	97.1	Very high	41 Å²	41	49.5 Å²	49.5	42%	0.423	24%	0.242	S	C	.	.	H	α-helix	trans	-61.2	-32.4	-178.6	0	0	0	0	0	114.4	Q31	G27-Q31 WeakPolarHBondContact O-CB 3.45Å; G27-Q31 VanDerWaalsContact O-CG 3.24Å; G27-Q31 WeakPolarHBondContact O-CG 3.49Å; G27-Q31 PolarHBondContact O-N 3.33Å; G27-Q31 PolarHBondContact O-NE2 2.87Å
28	Y	95.3	Very high	97	Very high	92 Å²	92	47.9 Å²	47.9	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-73.7	-29.8	176.2	61.2	-93.7	0	0	0	112.7	S26 A32 I101	S26-Y28 VanDerWaalsContact C-N 3.29Å; S26-Y28 VanDerWaalsContact CB-CE1 3.45Å; S26-Y28 PolarHBondContact O-N 3.43Å; S26-Y28 PolarHBondContact OG-OH 2.93Å; Y28-A32 PolarHBondContact O-N 3.28Å; Y28-A32 VanDerWaalsContact O-N 3.14Å; Y28-I101 HydrophobicContact CD2-CD1 4.09Å; Y28-I101 HydrophobicContact CD2-CG1 4.43Å; Y28-I101 HydrophobicContact CD2-CG2 3.93Å; Y28-I101 HydrophobicContact CE2-CG2 4.39Å
29	V	98	Very high	97	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.7	-47.3	172.5	176	0	0	0	0	109.3	I24 S26 Q31 A32 F33 M73	I24-V29 HydrophobicContact CG1-CG1 4.43Å; I24-V29 HydrophobicContact CG2-CB 4.41Å; I24-V29 HydrophobicContact CG2-CG1 4.18Å; S26-V29 PolarHBondContact O-N 3.45Å; V29-Q31 VanDerWaalsContact C-N 3.33Å; V29-Q31 PolarHBondContact O-N 3.25Å; V29-A32 PolarHBondContact O-N 2.85Å; V29-F33 HydrophobicContact CG1-CD2 3.74Å; V29-F33 HydrophobicContact CG1-CE2 3.78Å; V29-F33 WeakPolarHBondContact O-CD2 3.38Å; V29-F33 PolarHBondContact O-N 3.22Å; V29-M73 HydrophobicContact CG1-CB 3.94Å; V29-M73 HydrophobicContact CG2-CB 4.3Å
30	E	98.1	Very high	96.9	Very high	33 Å²	33	47.4 Å²	47.4	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-53.8	-49.7	174.3	-179.4	178.3	-176	0	0	111.5	I15 K19 I24 S26 A32 F33 R34	I15-E30 HydrophobicContact CG2-CG 4.04Å; K19-E30 WeakPolarHBondContact CE-OE2 3.18Å; K19-E30 VanDerWaalsContact NZ-CD 3.26Å; K19-E30 IonicContact NZ-OE1 3.57Å; K19-E30 PolarHBondContact NZ-OE1 3.38Å; K19-E30 VanDerWaalsContact NZ-OE1 3.07Å; K19-E30 IonicContact NZ-OE2 2.65Å; K19-E30 PolarHBondContact NZ-OE2 3.32Å; I24-E30 HydrophobicContact CG2-CB 3.81Å; S26-E30 PolarHBondContact O-N 3.27Å; E30-A32 VanDerWaalsContact C-N 3.33Å; E30-A32 PolarHBondContact O-N 2.98Å; E30-F33 PolarHBondContact O-N 3.23Å; E30-R34 WeakPolarHBondContact O-CG 3.24Å; E30-R34 PolarHBondContact O-N 2.97Å; E30-R34 IonicContact OE1-CZ 2.77Å; E30-R34 IonicContact OE1-NE 3.6Å; E30-R34 PolarHBondContact OE1-NE 3.47Å; E30-R34 IonicContact OE1-NH2 2.79Å; E30-R34 PolarHBondContact OE1-NH2 2.82Å
31	Q	97.1	Very high	96.9	Very high	111 Å²	111	40.1 Å²	40.1	52%	0.519	20%	0.201	S	C	.	.	H	α-helix	trans	-58	-42.9	178.7	-76.1	172	53.5	0	0	112.5	G27 V29 R34 A35 F138	G27-Q31 WeakPolarHBondContact O-CB 3.45Å; G27-Q31 VanDerWaalsContact O-CG 3.24Å; G27-Q31 WeakPolarHBondContact O-CG 3.49Å; G27-Q31 PolarHBondContact O-N 3.33Å; G27-Q31 PolarHBondContact O-NE2 2.87Å; V29-Q31 VanDerWaalsContact C-N 3.33Å; V29-Q31 PolarHBondContact O-N 3.25Å; Q31-R34 PolarHBondContact O-N 2.96Å; Q31-A35 WeakPolarHBondContact O-CB 3.43Å; Q31-A35 PolarHBondContact O-N 3.33Å; Q31-F138 HydrophobicContact CB-CE1 4.31Å; Q31-F138 HydrophobicContact CB-CZ 4.25Å
32	A	97.4	Very high	96.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-41.7	178.2	0	0	0	0	0	112.5	Y28 V29 E30 A35 I36 M97 I101	Y28-A32 PolarHBondContact O-N 3.28Å; Y28-A32 VanDerWaalsContact O-N 3.14Å; V29-A32 PolarHBondContact O-N 2.85Å; E30-A32 VanDerWaalsContact C-N 3.33Å; E30-A32 PolarHBondContact O-N 2.98Å; A32-A35 PolarHBondContact O-N 3.42Å; A32-I36 PolarHBondContact O-N 2.61Å; A32-M97 HydrophobicContact CB-CB 4.39Å; A32-I101 HydrophobicContact CB-CD1 3.92Å; A32-I101 HydrophobicContact CB-CG1 3.93Å
33	F	98	Very high	96.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-34.6	177.5	-93.9	-94.2	0	0	0	113.1	N11 I15 I24 V29 E30 M73 M97	N11-F33 PolarHBondContact ND2-O 3.18Å; I15-F33 HydrophobicContact CD1-CB 3.69Å; I15-F33 HydrophobicContact CD1-CD1 3.67Å; I15-F33 HydrophobicContact CD1-CG 4.1Å; I15-F33 HydrophobicContact CG1-CB 3.97Å; I15-F33 HydrophobicContact CG2-CB 4.45Å; I24-F33 HydrophobicContact CD1-CB 4.31Å; I24-F33 HydrophobicContact CD1-CD1 4.33Å; I24-F33 HydrophobicContact CD1-CD2 4.17Å; I24-F33 HydrophobicContact CD1-CG 4.03Å; V29-F33 HydrophobicContact CG1-CD2 3.74Å; V29-F33 HydrophobicContact CG1-CE2 3.78Å; V29-F33 WeakPolarHBondContact O-CD2 3.38Å; V29-F33 PolarHBondContact O-N 3.22Å; E30-F33 PolarHBondContact O-N 3.23Å; F33-M73 HydrophobicContact CE2-CB 4.34Å; F33-M73 HydrophobicContact CE2-CG 4Å; F33-M97 HydrophobicContact CD1-SD 3.99Å; F33-M97 HydrophobicContact CD2-SD 3.89Å; F33-M97 HydrophobicContact CE1-CE 4.34Å; F33-M97 HydrophobicContact CE1-SD 4.12Å; F33-M97 HydrophobicContact CE2-CE 4.37Å; F33-M97 HydrophobicContact CE2-SD 4.02Å; F33-M97 HydrophobicContact CG-SD 3.89Å; F33-M97 HydrophobicContact CZ-CE 4.13Å; F33-M97 HydrophobicContact CZ-SD 4.13Å
34	R	97.4	Very high	96.2	Very high	65 Å²	65	39 Å²	39	25%	0.245	20%	0.202	C	C	.	.	H	α-helix	trans	-75.6	-33.8	174.5	-66.1	-170.1	-173.3	-76.4	-2	112.8	D12 I15 D16 E30 Q31 I36	D12-R34 VanDerWaalsContact CG-NH1 3.35Å; D12-R34 PolarHBondContact O-NH1 2.76Å; D12-R34 WeakPolarHBondContact OD1-CD 3.41Å; D12-R34 VanDerWaalsContact OD1-CG 3.28Å; D12-R34 WeakPolarHBondContact OD1-CG 3.25Å; D12-R34 IonicContact OD1-CZ 2.68Å; D12-R34 IonicContact OD1-NE 3.94Å; D12-R34 IonicContact OD1-NH1 3.52Å; D12-R34 PolarHBondContact OD1-NH1 3.37Å; I15-R34 HydrophobicContact CB-CG 4.28Å; I15-R34 HydrophobicContact CG1-CG 4.11Å; I15-R34 HydrophobicContact CG2-CG 4.02Å; D16-R34 IonicContact OD1-CZ 3Å; D16-R34 IonicContact OD1-NH1 2.69Å; D16-R34 IonicContact OD1-NH2 2.65Å; D16-R34 PolarHBondContact OD1-NH2 3.04Å; E30-R34 WeakPolarHBondContact O-CG 3.24Å; E30-R34 PolarHBondContact O-N 2.97Å; E30-R34 IonicContact OE1-CZ 2.77Å; E30-R34 IonicContact OE1-NE 3.6Å; E30-R34 PolarHBondContact OE1-NE 3.47Å; E30-R34 IonicContact OE1-NH2 2.79Å; E30-R34 PolarHBondContact OE1-NH2 2.82Å; Q31-R34 PolarHBondContact O-N 2.96Å; R34-I36 PolarHBondContact O-N 3.2Å
35	A	96	Very high	95.7	Very high	6 Å²	6	42.3 Å²	42.3	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-27.6	-177.8	0	0	0	0	0	113.3	Q31 A32 L100 S134 F138	Q31-A35 WeakPolarHBondContact O-CB 3.43Å; Q31-A35 PolarHBondContact O-N 3.33Å; A32-A35 PolarHBondContact O-N 3.42Å; A35-L100 HydrophobicContact CB-CD1 3.58Å; A35-S134 WeakPolarHBondContact O-CB 3.44Å; A35-S134 PolarHBondContact O-OG 3.3Å; A35-F138 HydrophobicContact CB-CD2 4.13Å; A35-F138 HydrophobicContact CB-CE2 3.38Å; A35-F138 HydrophobicContact CB-CZ 3.76Å
36	I	96.2	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-121	105.2	-175.9	-57.4	178.1	0	0	0	108.4	A32 R34 R38 Y41 Y93 T96 M97 L100 F128	A32-I36 PolarHBondContact O-N 2.61Å; R34-I36 PolarHBondContact O-N 3.2Å; I36-R38 PolarHBondContact O-N 3.07Å; I36-Y41 HydrophobicContact CG2-CD2 4.07Å; I36-Y41 HydrophobicContact CG2-CE2 3.34Å; I36-Y93 HydrophobicContact CB-CE2 4.26Å; I36-Y93 HydrophobicContact CG2-CD2 3.83Å; I36-Y93 HydrophobicContact CG2-CE2 3.62Å; I36-T96 VanDerWaalsContact CD1-C 3.49Å; I36-T96 HydrophobicContact CD1-CG2 3.44Å; I36-T96 VanDerWaalsContact CD1-CG2 3.44Å; I36-T96 HydrophobicContact CG1-CG2 4.49Å; I36-M97 HydrophobicContact CB-CG 4.26Å; I36-M97 HydrophobicContact CD1-CB 4.24Å; I36-M97 HydrophobicContact CD1-CG 3.69Å; I36-M97 HydrophobicContact CG1-CG 4.41Å; I36-L100 HydrophobicContact CD1-CD1 3.53Å; I36-L100 HydrophobicContact CD1-CG 4.14Å; I36-L100 HydrophobicContact CG1-CD1 3.66Å; I36-F128 HydrophobicContact CD1-CE2 4.49Å; I36-F128 HydrophobicContact CG1-CD2 4.42Å; I36-F128 HydrophobicContact CG1-CE2 3.92Å; I36-F128 HydrophobicContact CG1-CZ 4.37Å
37	D	96.5	Very high	94.9	Very high	33 Å²	33	42.1 Å²	42.1	18%	0.176	24%	0.236	C	C	.	.			trans	-63.6	119.8	175.4	-174.2	-27.5	0	0	0	109.5	G39 D40 R47 Y51	D37-G39 PolarHBondContact O-N 3.47Å; D37-G39 WeakPolarHBondContact OD1-CA 3.37Å; D37-G39 PolarHBondContact OD1-N 3.13Å; D37-D40 WeakPolarHBondContact O-CB 3.36Å; D37-D40 PolarHBondContact O-N 2.76Å; D37-D40 VanDerWaalsContact O-N 3.1Å; D37-R47 IonicContact OD1-NH2 3.6Å; D37-R47 IonicContact OD2-CZ 3.91Å; D37-R47 IonicContact OD2-NH2 3.02Å; D37-R47 PolarHBondContact OD2-NH2 2.86Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.19Å; D37-Y51 PolarHBondContact OD1-OH 2.92Å; D37-Y51 PolarHBondContact OD2-OH 3.49Å
38	R	96.9	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-55.9	-35.2	177	-179.8	173.9	170.8	91	0.5	112.8	N11 I36 D40 Y41 Y42 A50 L54 L63 S64 Y93	N11-R38 PolarHBondContact OD1-N 2.91Å; N11-R38 VanDerWaalsContact OD1-N 3.15Å; I36-R38 PolarHBondContact O-N 3.07Å; R38-D40 VanDerWaalsContact C-N 3.26Å; R38-D40 PolarHBondContact O-N 3.09Å; R38-Y41 PolarHBondContact O-N 3.25Å; R38-Y42 HydrophobicContact CG-CE2 4.15Å; R38-Y42 WeakPolarHBondContact O-CD2 3.47Å; R38-A50 WeakPolarHBondContact CD-O 3.14Å; R38-A50 PolarHBondContact NE-O 3.4Å; R38-A50 VanDerWaalsContact NE-O 3.1Å; R38-L54 PolarHBondContact NH2-O 3.32Å; R38-L54 VanDerWaalsContact NH2-O 3.15Å; R38-L63 HydrophobicContact CG-CD2 4.08Å; R38-L63 VanDerWaalsContact CZ-CD2 3.43Å; R38-S64 VanDerWaalsContact CZ-O 3.28Å; R38-S64 PolarHBondContact NH1-O 2.8Å; R38-S64 PolarHBondContact NH2-O 3.29Å; R38-Y93 HydrophobicContact CB-CE2 4.18Å
39	G	96.2	Very high	94.1	Very high	5 Å²	5	46 Å²	46	5%	0.052	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-63.1	-28.1	178.4	0	0	0	0	0	113.7	D37 Y41 Y42	D37-G39 PolarHBondContact O-N 3.47Å; D37-G39 WeakPolarHBondContact OD1-CA 3.37Å; D37-G39 PolarHBondContact OD1-N 3.13Å; G39-Y41 PolarHBondContact O-N 3.05Å; G39-Y42 PolarHBondContact O-N 3.05Å; G39-Y42 VanDerWaalsContact O-N 3.15Å
40	D	95.9	Very high	93.9	Very high	69 Å²	69	46 Å²	46	37%	0.369	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-65.8	-21.1	177	-71	-15.1	0	0	0	112.1	D37 R38 K124	D37-D40 WeakPolarHBondContact O-CB 3.36Å; D37-D40 PolarHBondContact O-N 2.76Å; D37-D40 VanDerWaalsContact O-N 3.1Å; R38-D40 VanDerWaalsContact C-N 3.26Å; R38-D40 PolarHBondContact O-N 3.09Å; D40-K124 VanDerWaalsContact O-CD 3.25Å; D40-K124 WeakPolarHBondContact O-CD 3.3Å; D40-K124 WeakPolarHBondContact O-CE 3.07Å; D40-K124 PolarHBondContact O-NZ 2.98Å
41	Y	96.6	Very high	93.8	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.016	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-94.4	-0.8	179.8	-73.7	-103.9	0	0	0	113.5	I36 R38 G39 T91 Y93 T96 Y120 K124	I36-Y41 HydrophobicContact CG2-CD2 4.07Å; I36-Y41 HydrophobicContact CG2-CE2 3.34Å; R38-Y41 PolarHBondContact O-N 3.25Å; G39-Y41 PolarHBondContact O-N 3.05Å; Y41-T91 WeakPolarHBondContact CD1-O 3.48Å; Y41-Y93 HydrophobicContact CD1-CD2 4.2Å; Y41-Y93 HydrophobicContact CD1-CG 4.38Å; Y41-Y93 AromaticContact CD2-CD2 3.5Å; Y41-Y93 HydrophobicContact CD2-CD2 3.5Å; Y41-Y93 VanDerWaalsContact CD2-CD2 3.5Å; Y41-Y93 HydrophobicContact CD2-CE2 4.25Å; Y41-Y93 HydrophobicContact CD2-CG 4.4Å; Y41-Y93 VanDerWaalsContact CE1-CA 3.42Å; Y41-Y93 HydrophobicContact CE1-CD2 4.47Å; Y41-Y93 AromaticContact CE2-CD2 3.86Å; Y41-Y93 HydrophobicContact CE2-CD2 3.86Å; Y41-Y93 AromaticContact CG-CD2 3.69Å; Y41-Y93 HydrophobicContact CG-CD2 3.69Å; Y41-Y93 HydrophobicContact CG-CG 4.16Å; Y41-T96 WeakPolarHBondContact OH-CB 3.38Å; Y41-T96 VanDerWaalsContact OH-CG2 3.28Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.39Å; Y41-T96 PolarHBondContact OH-OG1 3.49Å; Y41-Y120 PolarHBondContact O-OH 2.74Å; Y41-K124 HydrophobicContact CD1-CB 3.81Å; Y41-K124 HydrophobicContact CD1-CG 4.12Å; Y41-K124 HydrophobicContact CE1-CB 3.68Å; Y41-K124 HydrophobicContact CE1-CG 4.5Å
42	Y	95.9	Very high	93.7	Very high	6 Å²	6	44.3 Å²	44.3	2%	0.024	24%	0.243	C	C	.	.	S	Bend	trans	-82.5	159	170	-83.9	-117.5	0	0	0	111.4	R38 G39 C46 N49 A50 W56 L63 Y120 K124	R38-Y42 HydrophobicContact CG-CE2 4.15Å; R38-Y42 WeakPolarHBondContact O-CD2 3.47Å; G39-Y42 PolarHBondContact O-N 3.05Å; G39-Y42 VanDerWaalsContact O-N 3.15Å; Y42-C46 HydrophobicContact CD1-CB 4.01Å; Y42-C46 VanDerWaalsContact CD1-O 3.23Å; Y42-C46 WeakPolarHBondContact CD1-O 3.16Å; Y42-N49 HydrophobicContact CE1-CB 4.47Å; Y42-N49 PolarHBondContact OH-O 2.92Å; Y42-A50 HydrophobicContact CD2-CB 3.81Å; Y42-A50 HydrophobicContact CE1-CB 4.45Å; Y42-A50 HydrophobicContact CE2-CB 3.75Å; Y42-A50 HydrophobicContact CG-CB 4.22Å; Y42-W56 AromaticContact CD1-CD2 3.56Å; Y42-W56 HydrophobicContact CD1-CD2 3.56Å; Y42-W56 AromaticContact CD1-CE2 3.68Å; Y42-W56 AromaticContact CD1-CE3 3.85Å; Y42-W56 HydrophobicContact CD1-CE3 3.85Å; Y42-W56 AromaticContact CD1-CG 3.96Å; Y42-W56 HydrophobicContact CD1-CG 3.96Å; Y42-W56 HydrophobicContact CD1-CH2 4.35Å; Y42-W56 HydrophobicContact CD1-CZ2 4.08Å; Y42-W56 HydrophobicContact CD1-CZ3 4.23Å; Y42-W56 HydrophobicContact CD2-CE3 4.37Å; Y42-W56 HydrophobicContact CE1-CB 3.66Å; Y42-W56 AromaticContact CE1-CD1 3.63Å; Y42-W56 AromaticContact CE1-CD2 3.36Å; Y42-W56 HydrophobicContact CE1-CD2 3.36Å; Y42-W56 AromaticContact CE1-CE2 3.82Å; Y42-W56 AromaticContact CE1-CE3 3.85Å; Y42-W56 HydrophobicContact CE1-CE3 3.85Å; Y42-W56 AromaticContact CE1-CG 3.25Å; Y42-W56 HydrophobicContact CE1-CG 3.25Å; Y42-W56 AromaticContact CE1-NE1 3.93Å; Y42-W56 HydrophobicContact CE2-CE3 4.36Å; Y42-W56 HydrophobicContact CG-CD2 4.3Å; Y42-W56 HydrophobicContact CG-CE3 4.12Å; Y42-W56 HydrophobicContact CG-CZ3 4.23Å; Y42-W56 AromaticContact CZ-CD2 3.93Å; Y42-W56 AromaticContact CZ-CG 3.73Å; Y42-W56 VanDerWaalsContact OH-CB 3.26Å; Y42-W56 WeakPolarHBondContact OH-CB 3.33Å; Y42-L63 HydrophobicContact CD2-CD2 3.92Å; Y42-L63 HydrophobicContact CE2-CD2 3.32Å; Y42-Y120 PolarHBondContact O-OH 2.87Å; Y42-Y120 VanDerWaalsContact O-OH 3.08Å; Y42-K124 PolarHBondContact O-NZ 3.47Å
43	L	93.2	Very high	93.7	Very high	49 Å²	49	44.4 Å²	44.4	26%	0.257	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.8	150.1	167.1	-75.8	166.3	0	0	0	109.9	G45 C46 W56 H58 I61 Y120	L43-G45 PolarHBondContact O-N 2.9Å; L43-C46 HydrophobicContact CB-CB 4.49Å; L43-C46 WeakPolarHBondContact O-CB 3.27Å; L43-C46 PolarHBondContact O-N 2.51Å; L43-W56 HydrophobicContact CB-CH2 3.97Å; L43-W56 HydrophobicContact CB-CZ2 4.12Å; L43-W56 HydrophobicContact CD1-CH2 3.92Å; L43-W56 HydrophobicContact CD1-CZ2 4.03Å; L43-W56 HydrophobicContact CG-CH2 3.76Å; L43-W56 HydrophobicContact CG-CZ2 4.2Å; L43-H58 HydrophobicContact CD1-CB 3.9Å; L43-H58 WeakPolarHBondContact CD1-CD2 3.42Å; L43-I61 HydrophobicContact CD1-CD1 4.35Å; L43-I61 HydrophobicContact CD2-CD1 4.32Å; L43-I61 HydrophobicContact CG-CD1 4.4Å; L43-Y120 HydrophobicContact CD2-CD2 4.47Å; L43-Y120 HydrophobicContact CD2-CE2 3.7Å; L43-Y120 HydrophobicContact CG-CE2 4.37Å; L43-Y120 PolarHBondContact N-OH 3.26Å
44	V	87.1	Confident	93.5	Very high	148 Å²	148	48.3 Å²	48.3	90%	0.897	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	132.2	175.1	-176.8	0	0	0	0	109.1	C46	V44-C46 VanDerWaalsContact C-N 3.33Å; V44-C46 PolarHBondContact O-N 2.83Å
45	G	85.7	Confident	93.4	Very high	72 Å²	72	47 Å²	47	74%	0.742	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-2.8	-177.4	0	0	0	0	0	115.8	L43	L43-G45 PolarHBondContact O-N 2.9Å
46	C	88.5	Confident	93.3	Very high	35 Å²	35	48 Å²	48	24%	0.236	27%	0.27	C	S	.	.			trans	-104.5	6.5	176.8	-64.1	0	0	0	0	113.7	Y42 L43 V44 D48 W56	Y42-C46 HydrophobicContact CD1-CB 4.01Å; Y42-C46 VanDerWaalsContact CD1-O 3.23Å; Y42-C46 WeakPolarHBondContact CD1-O 3.16Å; L43-C46 HydrophobicContact CB-CB 4.49Å; L43-C46 WeakPolarHBondContact O-CB 3.27Å; L43-C46 PolarHBondContact O-N 2.51Å; V44-C46 VanDerWaalsContact C-N 3.33Å; V44-C46 PolarHBondContact O-N 2.83Å; C46-D48 VanDerWaalsContact C-N 3.28Å; C46-D48 PolarHBondContact O-N 2.87Å; C46-W56 HydrophobicContact CB-CZ2 4.01Å
47	R	89.9	Confident	93.1	Very high	113 Å²	113	54.9 Å²	54.9	43%	0.426	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-68.1	-22.2	-168.8	-163.5	175.1	179.3	-172.1	3.8	113.8	D37 N49 A50 Y51	D37-R47 IonicContact OD1-NH2 3.6Å; D37-R47 IonicContact OD2-CZ 3.91Å; D37-R47 IonicContact OD2-NH2 3.02Å; D37-R47 PolarHBondContact OD2-NH2 2.86Å; R47-N49 PolarHBondContact O-N 2.87Å; R47-A50 HydrophobicContact CG-CB 4.23Å; R47-A50 WeakPolarHBondContact O-CB 3.24Å; R47-A50 PolarHBondContact O-N 2.77Å; R47-Y51 VanDerWaalsContact CZ-OH 3.28Å; R47-Y51 PolarHBondContact NE-OH 2.95Å; R47-Y51 PolarHBondContact NH2-OH 2.89Å
48	D	86	Confident	92.9	Very high	139 Å²	139	58.5 Å²	58.5	74%	0.743	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.3	-21	-178.7	-57.8	-15	0	0	0	114	C46	C46-D48 VanDerWaalsContact C-N 3.28Å; C46-D48 PolarHBondContact O-N 2.87Å
49	N	89.1	Confident	92.8	Very high	75 Å²	75	61.2 Å²	61.2	40%	0.401	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-101.7	1.7	177.4	-65.9	-42.3	0	0	0	113.2	Y42 R47 Y51 K52	Y42-N49 HydrophobicContact CE1-CB 4.47Å; Y42-N49 PolarHBondContact OH-O 2.92Å; R47-N49 PolarHBondContact O-N 2.87Å; N49-Y51 PolarHBondContact O-N 3.13Å; N49-K52 PolarHBondContact O-N 2.81Å; N49-K52 WeakPolarHBondContact OD1-CE 3.1Å; N49-K52 PolarHBondContact OD1-NZ 2.82Å
50	A	94	Very high	92.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-38	-174.2	0	0	0	0	0	112.9	R38 Y42 R47 K52	R38-A50 WeakPolarHBondContact CD-O 3.14Å; R38-A50 PolarHBondContact NE-O 3.4Å; R38-A50 VanDerWaalsContact NE-O 3.1Å; Y42-A50 HydrophobicContact CD2-CB 3.81Å; Y42-A50 HydrophobicContact CE1-CB 4.45Å; Y42-A50 HydrophobicContact CE2-CB 3.75Å; Y42-A50 HydrophobicContact CG-CB 4.22Å; R47-A50 HydrophobicContact CG-CB 4.23Å; R47-A50 WeakPolarHBondContact O-CB 3.24Å; R47-A50 PolarHBondContact O-N 2.77Å; A50-K52 VanDerWaalsContact C-N 3.32Å
51	Y	96.6	Very high	92.5	Very high	30 Å²	30	62 Å²	62	12%	0.118	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	12.5	-175.1	-44.3	-49.7	0	0	0	113.6	A7 G8 N11 D37 R47 N49	A7-Y51 WeakPolarHBondContact CA-O 3.5Å; G8-Y51 PolarHBondContact N-O 2.98Å; N11-Y51 HydrophobicContact CB-CD1 4.27Å; N11-Y51 HydrophobicContact CB-CE1 3.94Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.19Å; D37-Y51 PolarHBondContact OD1-OH 2.92Å; D37-Y51 PolarHBondContact OD2-OH 3.49Å; R47-Y51 VanDerWaalsContact CZ-OH 3.28Å; R47-Y51 PolarHBondContact NE-OH 2.95Å; R47-Y51 PolarHBondContact NH2-OH 2.89Å; N49-Y51 PolarHBondContact O-N 3.13Å
52	K	95.4	Very high	92.3	Very high	78 Å²	78	65.1 Å²	65.1	34%	0.339	36%	0.361	S	S	.	.	S	Bend	trans	-89.6	142	169.5	-59.6	179.8	-174.8	168.4	0	107.8	A7 N49 A50 L54	A7-K52 HydrophobicContact CB-CG 3.89Å; N49-K52 PolarHBondContact O-N 2.81Å; N49-K52 WeakPolarHBondContact OD1-CE 3.1Å; N49-K52 PolarHBondContact OD1-NZ 2.82Å; A50-K52 VanDerWaalsContact C-N 3.32Å; K52-L54 HydrophobicContact CB-CB 4.43Å; K52-L54 HydrophobicContact CB-CD1 4.07Å; K52-L54 HydrophobicContact CB-CG 4.2Å; K52-L54 HydrophobicContact CD-CD1 4.38Å; K52-L54 PolarHBondContact O-N 2.82Å
53	D	96.1	Very high	92.3	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.016	36%	0.359	C	S	.	.	S	Bend	trans	-73.5	66.8	172.6	-178.7	41.2	0	0	0	110.9	G2 G3 A4 V5 P66 C67	G2-D53 CarbonylContact C-O 3.33Å; G2-D53 WeakPolarHBondContact CA-O 3.44Å; G3-D53 PolarHBondContact N-O 2.77Å; G3-D53 PolarHBondContact N-OD2 2.88Å; A4-D53 WeakPolarHBondContact CB-OD2 3.36Å; A4-D53 PolarHBondContact N-OD2 2.84Å; V5-D53 HydrophobicContact CG2-CB 3.57Å; D53-P66 VanDerWaalsContact OD1-CD 3.29Å; D53-P66 WeakPolarHBondContact OD1-CD 3.37Å; D53-C67 VanDerWaalsContact CG-SG 3.58Å; D53-C67 WeakPolarHBondContact OD1-CB 3.02Å; D53-C67 PolarHBondContact OD1-N 3.25Å; D53-C67 PolarHBondContact OD1-SG 3.44Å; D53-C67 PolarHBondContact OD2-SG 3.41Å
54	L	94.8	Very high	92.3	Very high	84 Å²	84	62.6 Å²	62.6	44%	0.44	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-138.5	143	-176.2	-67.3	174.5	0	0	0	109.6	R38 K52	R38-L54 PolarHBondContact NH2-O 3.32Å; R38-L54 VanDerWaalsContact NH2-O 3.15Å; K52-L54 HydrophobicContact CB-CB 4.43Å; K52-L54 HydrophobicContact CB-CD1 4.07Å; K52-L54 HydrophobicContact CB-CG 4.2Å; K52-L54 HydrophobicContact CD-CD1 4.38Å; K52-L54 PolarHBondContact O-N 2.82Å
55	A	94.1	Very high	92.8	Very high	37 Å²	37	55.6 Å²	55.6	31%	0.306	31%	0.306	S	S	.	.			trans	-66.3	146.1	165.6	0	0	0	0	0	109.7	M1 L63	M1-A55 PolarHBondContact O-N 2.85Å; A55-L63 CarbonylContact C-O 3.6Å; A55-L63 VanDerWaalsContact CA-O 3.3Å; A55-L63 WeakPolarHBondContact CA-O 3.35Å
56	W	94.1	Very high	93.3	Very high	28 Å²	28	52.2 Å²	52.2	11%	0.106	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.7	178.5	173.3	70	0	0	0	110.2	Y42 L43 C46 H58 I61 H62 L63	Y42-W56 AromaticContact CD1-CD2 3.56Å; Y42-W56 HydrophobicContact CD1-CD2 3.56Å; Y42-W56 AromaticContact CD1-CE2 3.68Å; Y42-W56 AromaticContact CD1-CE3 3.85Å; Y42-W56 HydrophobicContact CD1-CE3 3.85Å; Y42-W56 AromaticContact CD1-CG 3.96Å; Y42-W56 HydrophobicContact CD1-CG 3.96Å; Y42-W56 HydrophobicContact CD1-CH2 4.35Å; Y42-W56 HydrophobicContact CD1-CZ2 4.08Å; Y42-W56 HydrophobicContact CD1-CZ3 4.23Å; Y42-W56 HydrophobicContact CD2-CE3 4.37Å; Y42-W56 HydrophobicContact CE1-CB 3.66Å; Y42-W56 AromaticContact CE1-CD1 3.63Å; Y42-W56 AromaticContact CE1-CD2 3.36Å; Y42-W56 HydrophobicContact CE1-CD2 3.36Å; Y42-W56 AromaticContact CE1-CE2 3.82Å; Y42-W56 AromaticContact CE1-CE3 3.85Å; Y42-W56 HydrophobicContact CE1-CE3 3.85Å; Y42-W56 AromaticContact CE1-CG 3.25Å; Y42-W56 HydrophobicContact CE1-CG 3.25Å; Y42-W56 AromaticContact CE1-NE1 3.93Å; Y42-W56 HydrophobicContact CE2-CE3 4.36Å; Y42-W56 HydrophobicContact CG-CD2 4.3Å; Y42-W56 HydrophobicContact CG-CE3 4.12Å; Y42-W56 HydrophobicContact CG-CZ3 4.23Å; Y42-W56 AromaticContact CZ-CD2 3.93Å; Y42-W56 AromaticContact CZ-CG 3.73Å; Y42-W56 VanDerWaalsContact OH-CB 3.26Å; Y42-W56 WeakPolarHBondContact OH-CB 3.33Å; L43-W56 HydrophobicContact CB-CH2 3.97Å; L43-W56 HydrophobicContact CB-CZ2 4.12Å; L43-W56 HydrophobicContact CD1-CH2 3.92Å; L43-W56 HydrophobicContact CD1-CZ2 4.03Å; L43-W56 HydrophobicContact CG-CH2 3.76Å; L43-W56 HydrophobicContact CG-CZ2 4.2Å; C46-W56 HydrophobicContact CB-CZ2 4.01Å; W56-H58 HydrophobicContact CH2-CB 4.26Å; W56-H58 HydrophobicContact CZ2-CB 3.72Å; W56-I61 HydrophobicContact CH2-CG2 4.18Å; W56-I61 HydrophobicContact CZ3-CG2 3.76Å; W56-H62 WeakPolarHBondContact O-CA 3.23Å; W56-L63 HydrophobicContact CE3-CB 4.06Å; W56-L63 PolarHBondContact N-O 3.4Å; W56-L63 PolarHBondContact O-N 3.09Å
57	K	92.4	Very high	93.7	Very high	145 Å²	145	50.8 Å²	50.8	63%	0.63	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.9	179.7	-169.6	177.7	177.8	178	0	110	G59 I61	K57-G59 VanDerWaalsContact CE-O 3.23Å; K57-G59 WeakPolarHBondContact CE-O 3.42Å; K57-I61 CarbonylContact C-O 3.57Å; K57-I61 WeakPolarHBondContact CA-O 3.44Å
58	H	93	Very high	94	Very high	108 Å²	108	45.5 Å²	45.5	50%	0.5	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	110.1	170.6	-170.8	94.3	0	0	0	109.6	L43 W56 N60 I61	L43-H58 HydrophobicContact CD1-CB 3.9Å; L43-H58 WeakPolarHBondContact CD1-CD2 3.42Å; W56-H58 HydrophobicContact CH2-CB 4.26Å; W56-H58 HydrophobicContact CZ2-CB 3.72Å; H58-N60 PolarHBondContact O-N 2.82Å; H58-I61 PolarHBondContact N-O 3.4Å; H58-I61 WeakPolarHBondContact O-CB 3.42Å; H58-I61 PolarHBondContact O-N 3.03Å
59	G	93.6	Very high	94.6	Very high	57 Å²	57	39.5 Å²	39.5	59%	0.588	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	-125.2	-170.4	0	0	0	0	0	111.5	K57	K57-G59 VanDerWaalsContact CE-O 3.23Å; K57-G59 WeakPolarHBondContact CE-O 3.42Å
60	N	94.1	Very high	95	Very high	74 Å²	74	35.9 Å²	35.9	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-18	175.1	-61.6	-31.2	0	0	0	113	H58 H62 H114 D116 V117	H58-N60 PolarHBondContact O-N 2.82Å; N60-H62 PolarHBondContact O-N 2.79Å; N60-H114 HydrophobicContact CB-CB 4.18Å; N60-D116 PolarHBondContact ND2-OD1 3.41Å; N60-D116 PolarHBondContact ND2-OD2 3.26Å; N60-V117 HydrophobicContact CB-CG2 3.54Å
61	I	93.3	Very high	95.2	Very high	18 Å²	18	37 Å²	37	9%	0.092	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.5	-178.9	-60.9	175.1	0	0	0	109.2	L43 W56 K57 H58 T91 V117 Y120	L43-I61 HydrophobicContact CD1-CD1 4.35Å; L43-I61 HydrophobicContact CD2-CD1 4.32Å; L43-I61 HydrophobicContact CG-CD1 4.4Å; W56-I61 HydrophobicContact CH2-CG2 4.18Å; W56-I61 HydrophobicContact CZ3-CG2 3.76Å; K57-I61 CarbonylContact C-O 3.57Å; K57-I61 WeakPolarHBondContact CA-O 3.44Å; H58-I61 PolarHBondContact N-O 3.4Å; H58-I61 WeakPolarHBondContact O-CB 3.42Å; H58-I61 PolarHBondContact O-N 3.03Å; I61-T91 HydrophobicContact CG2-CG2 3.52Å; I61-V117 HydrophobicContact CG1-CG2 4.25Å; I61-Y120 HydrophobicContact CD1-CD1 3.98Å; I61-Y120 HydrophobicContact CD1-CD2 3.92Å; I61-Y120 HydrophobicContact CD1-CE1 4.17Å; I61-Y120 HydrophobicContact CD1-CE2 4.1Å; I61-Y120 HydrophobicContact CD1-CG 3.83Å; I61-Y120 HydrophobicContact CG1-CD1 4.5Å; I61-Y120 HydrophobicContact CG2-CD1 4.48Å; I61-Y120 HydrophobicContact CG2-CE1 4.23Å
62	H	92.1	Very high	95.2	Very high	68 Å²	68	35.6 Å²	35.6	32%	0.315	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.6	177.4	-176	-96.9	0	0	0	111	W56 N60	W56-H62 WeakPolarHBondContact O-CA 3.23Å; N60-H62 PolarHBondContact O-N 2.79Å
63	L	94.6	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	118.9	175.2	-167.6	73.1	0	0	0	108.8	R38 Y42 A55 W56 Y69 T91 Y93	R38-L63 HydrophobicContact CG-CD2 4.08Å; R38-L63 VanDerWaalsContact CZ-CD2 3.43Å; Y42-L63 HydrophobicContact CD2-CD2 3.92Å; Y42-L63 HydrophobicContact CE2-CD2 3.32Å; A55-L63 CarbonylContact C-O 3.6Å; A55-L63 VanDerWaalsContact CA-O 3.3Å; A55-L63 WeakPolarHBondContact CA-O 3.35Å; W56-L63 HydrophobicContact CE3-CB 4.06Å; W56-L63 PolarHBondContact N-O 3.4Å; W56-L63 PolarHBondContact O-N 3.09Å; L63-Y69 HydrophobicContact CD1-CE2 3.85Å; L63-Y69 HydrophobicContact CG-CE2 4.17Å; L63-T91 HydrophobicContact CB-CG2 4.49Å; L63-T91 HydrophobicContact CD1-CG2 4.14Å; L63-T91 VanDerWaalsContact CD1-OG1 3.23Å; L63-T91 WeakPolarHBondContact CD1-OG1 3.31Å; L63-Y93 HydrophobicContact CD1-CD1 4Å; L63-Y93 HydrophobicContact CD1-CG 4.06Å
64	S	94.9	Very high	95.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.021	18%	0.176	C	C	.	.			trans	-66.5	158.6	179.9	-57.8	0	0	0	0	111.5	R38 Y69	R38-S64 VanDerWaalsContact CZ-O 3.28Å; R38-S64 PolarHBondContact NH1-O 2.8Å; R38-S64 PolarHBondContact NH2-O 3.29Å; S64-Y69 PolarHBondContact N-OH 2.81Å
65	A	95.9	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.			trans	-59.8	144.3	176.5	0	0	0	0	0	111	C67 I68 Y69	A65-C67 VanDerWaalsContact C-N 3.31Å; A65-C67 PolarHBondContact O-N 3.3Å; A65-I68 HydrophobicContact CB-CG1 4.12Å; A65-I68 WeakPolarHBondContact O-CB 3.43Å; A65-I68 PolarHBondContact O-N 3.1Å; A65-Y69 PolarHBondContact O-N 2.69Å
66	P	97.1	Very high	95.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-48	-47.6	176.3	-27	32.5	0	0	0	113.9	L14 L18 D53 I68 Y69 S70	L14-P66 HydrophobicContact CD1-CB 4.34Å; L14-P66 HydrophobicContact CD1-CG 4.27Å; L14-P66 HydrophobicContact CD2-CB 4.07Å; L14-P66 HydrophobicContact CD2-CG 3.68Å; L14-P66 HydrophobicContact CG-CG 4.49Å; L18-P66 HydrophobicContact CD1-CB 3.68Å; L18-P66 HydrophobicContact CD2-CB 4.36Å; D53-P66 VanDerWaalsContact OD1-CD 3.29Å; D53-P66 WeakPolarHBondContact OD1-CD 3.37Å; P66-I68 PolarHBondContact O-N 2.86Å; P66-Y69 PolarHBondContact O-N 2.89Å; P66-Y69 VanDerWaalsContact O-N 3.12Å; P66-S70 PolarHBondContact O-N 3.35Å; P66-S70 PolarHBondContact O-OG 2.79Å
67	C	96.6	Very high	96.1	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-36.1	179.4	60.1	0	0	0	0	113.5	A4 L18 Y23 D53 A65 S70 E71	A4-C67 HydrophobicContact CB-CB 4.16Å; L18-C67 HydrophobicContact CD2-CB 4.03Å; Y23-C67 HydrophobicContact CD1-CB 3.71Å; Y23-C67 HydrophobicContact CE1-CB 3.75Å; Y23-C67 HydrophobicContact CG-CB 4.19Å; D53-C67 VanDerWaalsContact CG-SG 3.58Å; D53-C67 WeakPolarHBondContact OD1-CB 3.02Å; D53-C67 PolarHBondContact OD1-N 3.25Å; D53-C67 PolarHBondContact OD1-SG 3.44Å; D53-C67 PolarHBondContact OD2-SG 3.41Å; A65-C67 VanDerWaalsContact C-N 3.31Å; A65-C67 PolarHBondContact O-N 3.3Å; C67-S70 PolarHBondContact O-N 3.36Å; C67-E71 PolarHBondContact O-N 2.97Å; C67-E71 VanDerWaalsContact O-N 3.12Å
68	I	96.7	Very high	96.4	Very high	3 Å²	3	25 Å²	25	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-46	177.9	-57.3	-60	0	0	0	110.3	M1 A65 P66 S70 E71 V72 L212 V214 F216	M1-I68 HydrophobicContact CB-CG1 4.42Å; M1-I68 HydrophobicContact CE-CD1 3.78Å; M1-I68 HydrophobicContact CE-CG1 3.74Å; M1-I68 HydrophobicContact CE-CG2 4.17Å; M1-I68 HydrophobicContact SD-CD1 3.72Å; M1-I68 HydrophobicContact SD-CG1 4.16Å; A65-I68 HydrophobicContact CB-CG1 4.12Å; A65-I68 WeakPolarHBondContact O-CB 3.43Å; A65-I68 PolarHBondContact O-N 3.1Å; P66-I68 PolarHBondContact O-N 2.86Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 3.1Å; I68-E71 PolarHBondContact O-N 3.21Å; I68-V72 HydrophobicContact CG2-CG2 4.45Å; I68-V72 VanDerWaalsContact O-CG2 3.24Å; I68-V72 WeakPolarHBondContact O-CG2 3.4Å; I68-V72 PolarHBondContact O-N 3.24Å; I68-L212 HydrophobicContact CD1-CD1 3.71Å; I68-V214 HydrophobicContact CD1-CG1 3.94Å; I68-F216 HydrophobicContact CG2-CE2 4.37Å; I68-F216 HydrophobicContact CG2-CZ 3.78Å
69	Y	97.8	Very high	96.6	Very high	12 Å²	12	25.6 Å²	25.6	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-36.1	176.1	-72.5	-32.2	0	0	0	111.9	L63 S64 A65 P66 V72 M73 Y93 L94 Y164	L63-Y69 HydrophobicContact CD1-CE2 3.85Å; L63-Y69 HydrophobicContact CG-CE2 4.17Å; S64-Y69 PolarHBondContact N-OH 2.81Å; A65-Y69 PolarHBondContact O-N 2.69Å; P66-Y69 PolarHBondContact O-N 2.89Å; P66-Y69 VanDerWaalsContact O-N 3.12Å; Y69-V72 PolarHBondContact O-N 3.19Å; Y69-M73 WeakPolarHBondContact O-CB 3.45Å; Y69-M73 WeakPolarHBondContact O-CG 3.5Å; Y69-M73 PolarHBondContact O-N 3.01Å; Y69-Y93 AromaticContact CD2-CD1 3.77Å; Y69-Y93 HydrophobicContact CD2-CD1 3.77Å; Y69-Y93 AromaticContact CD2-CE1 3.88Å; Y69-Y93 HydrophobicContact CD2-CE1 3.88Å; Y69-Y93 AromaticContact CE2-CD1 3.65Å; Y69-Y93 HydrophobicContact CE2-CD1 3.65Å; Y69-Y93 HydrophobicContact CE2-CE1 4.21Å; Y69-L94 HydrophobicContact CD1-CB 4.37Å; Y69-L94 HydrophobicContact CD1-CD1 3.8Å; Y69-L94 HydrophobicContact CD1-CD2 4.35Å; Y69-L94 HydrophobicContact CD1-CG 4.4Å; Y69-L94 HydrophobicContact CE1-CB 4.11Å; Y69-L94 HydrophobicContact CE1-CD1 4.36Å; Y69-L94 HydrophobicContact CE1-CD2 4.3Å; Y69-L94 HydrophobicContact CG-CD1 4.13Å; Y69-Y164 HydrophobicContact CE1-CE1 4.48Å
70	S	97.7	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-48.9	175.7	-55.7	0	0	0	0	111.2	I24 P66 C67 I68 V72 M73 E74	I24-S70 WeakPolarHBondContact CG1-OG 3.42Å; P66-S70 PolarHBondContact O-N 3.35Å; P66-S70 PolarHBondContact O-OG 2.79Å; C67-S70 PolarHBondContact O-N 3.36Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 3.1Å; S70-V72 PolarHBondContact O-N 2.69Å; S70-M73 PolarHBondContact O-N 2.8Å; S70-E74 VanDerWaalsContact O-CG 3.31Å; S70-E74 WeakPolarHBondContact O-CG 3.46Å; S70-E74 PolarHBondContact O-N 3.12Å
71	E	97.7	Very high	96.9	Very high	23 Å²	23	27.1 Å²	27.1	11%	0.107	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-39.9	178.2	-74.2	-65.4	158.6	0	0	112.9	Y23 R25 C67 I68 E74 A75 I211 L212	Y23-E71 HydrophobicContact CD1-CG 3.77Å; Y23-E71 HydrophobicContact CE1-CG 4.14Å; R25-E71 IonicContact CZ-OE1 3.67Å; R25-E71 IonicContact CZ-OE2 3.37Å; R25-E71 IonicContact NH1-OE1 3.66Å; R25-E71 PolarHBondContact NH1-OE1 3.01Å; R25-E71 IonicContact NH1-OE2 3.4Å; R25-E71 IonicContact NH2-OE1 3.83Å; R25-E71 PolarHBondContact NH2-OE1 3.31Å; R25-E71 IonicContact NH2-OE2 2.76Å; R25-E71 PolarHBondContact NH2-OE2 2.72Å; C67-E71 PolarHBondContact O-N 2.97Å; C67-E71 VanDerWaalsContact O-N 3.12Å; I68-E71 PolarHBondContact O-N 3.21Å; E71-E74 PolarHBondContact O-N 3.09Å; E71-A75 WeakPolarHBondContact O-CB 3.34Å; E71-A75 PolarHBondContact O-N 2.92Å; E71-I211 HydrophobicContact CB-CG2 4.2Å; E71-I211 HydrophobicContact CG-CG2 4.39Å; E71-I211 WeakPolarHBondContact OE2-CG2 3.47Å; E71-L212 HydrophobicContact CB-CD2 3.87Å; E71-L212 HydrophobicContact CG-CD2 3.8Å
72	V	98.3	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60	-48.2	174.1	169.4	0	0	0	0	110.5	I68 Y69 S70 E74 A75 L76 L94 Y164 V188 L195	I68-V72 HydrophobicContact CG2-CG2 4.45Å; I68-V72 VanDerWaalsContact O-CG2 3.24Å; I68-V72 WeakPolarHBondContact O-CG2 3.4Å; I68-V72 PolarHBondContact O-N 3.24Å; Y69-V72 PolarHBondContact O-N 3.19Å; S70-V72 PolarHBondContact O-N 2.69Å; V72-E74 PolarHBondContact O-N 2.8Å; V72-A75 PolarHBondContact O-N 2.75Å; V72-L76 HydrophobicContact CG1-CD1 3.67Å; V72-L76 HydrophobicContact CG1-CG 4.24Å; V72-L76 WeakPolarHBondContact O-CB 3.43Å; V72-L76 WeakPolarHBondContact O-CG 3.32Å; V72-L76 PolarHBondContact O-N 3.13Å; V72-L94 HydrophobicContact CG1-CD2 4.3Å; V72-Y164 HydrophobicContact CB-CD2 4.31Å; V72-Y164 HydrophobicContact CB-CE2 4.24Å; V72-Y164 HydrophobicContact CG1-CD1 4.39Å; V72-Y164 HydrophobicContact CG1-CD2 3.41Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.41Å; V72-Y164 HydrophobicContact CG1-CE2 3.78Å; V72-Y164 HydrophobicContact CG1-CG 3.74Å; V72-Y164 HydrophobicContact CG2-CD2 3.83Å; V72-Y164 HydrophobicContact CG2-CE2 3.39Å; V72-V188 HydrophobicContact CG2-CG1 4.08Å; V72-L195 HydrophobicContact CG2-CD1 4.42Å; V72-L195 HydrophobicContact CG2-CD2 3.96Å
73	M	98.3	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-40	-178.3	-69.9	-73.8	-78.3	0	0	112.1	V29 F33 Y69 S70 L78 L94 M97 V98 I101	V29-M73 HydrophobicContact CG1-CB 3.94Å; V29-M73 HydrophobicContact CG2-CB 4.3Å; F33-M73 HydrophobicContact CE2-CB 4.34Å; F33-M73 HydrophobicContact CE2-CG 4Å; Y69-M73 WeakPolarHBondContact O-CB 3.45Å; Y69-M73 WeakPolarHBondContact O-CG 3.5Å; Y69-M73 PolarHBondContact O-N 3.01Å; S70-M73 PolarHBondContact O-N 2.8Å; M73-L78 HydrophobicContact CE-CD1 4.03Å; M73-L78 HydrophobicContact SD-CD1 3.77Å; M73-L94 HydrophobicContact CG-CD1 3.8Å; M73-L94 HydrophobicContact SD-CD1 3.6Å; M73-L94 VanDerWaalsContact SD-CD1 3.6Å; M73-M97 HydrophobicContact CE-CB 3.84Å; M73-V98 HydrophobicContact CE-CG2 4.34Å; M73-V98 HydrophobicContact SD-CG2 3.68Å; M73-I101 HydrophobicContact CE-CD1 3.27Å
74	E	98.4	Very high	97.6	Very high	19 Å²	19	24.3 Å²	24.3	9%	0.089	13%	0.125	C	C	.	.	H	α-helix	trans	-68.2	-44.1	174.9	-68.3	-68.9	171.7	0	0	112.1	R25 S26 S70 E71 V72 L76 K77	R25-E74 WeakPolarHBondContact CA-OE1 3.43Å; R25-E74 PolarHBondContact N-OE1 3.39Å; R25-E74 VanDerWaalsContact NH2-CB 3.3Å; S26-E74 WeakPolarHBondContact CB-OE1 3.47Å; S26-E74 WeakPolarHBondContact CB-OE2 3.32Å; S26-E74 PolarHBondContact N-OE1 2.93Å; S26-E74 PolarHBondContact OG-OE2 2.65Å; S70-E74 VanDerWaalsContact O-CG 3.31Å; S70-E74 WeakPolarHBondContact O-CG 3.46Å; S70-E74 PolarHBondContact O-N 3.12Å; E71-E74 PolarHBondContact O-N 3.09Å; V72-E74 PolarHBondContact O-N 2.8Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.8Å; E74-K77 PolarHBondContact O-N 2.76Å
75	A	98.3	Very high	97.8	Very high	9 Å²	9	24.1 Å²	24.1	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-67.9	-32.9	-178.4	0	0	0	0	0	112.7	E71 V72 K77 V188 Q197 I211	E71-A75 WeakPolarHBondContact O-CB 3.34Å; E71-A75 PolarHBondContact O-N 2.92Å; V72-A75 PolarHBondContact O-N 2.75Å; A75-K77 PolarHBondContact O-N 2.84Å; A75-V188 HydrophobicContact CB-CG2 3.88Å; A75-Q197 PolarHBondContact O-NE2 2.83Å; A75-Q197 VanDerWaalsContact O-NE2 3.13Å; A75-I211 HydrophobicContact CB-CD1 3.51Å
76	L	98.5	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.5	177.7	-73.9	169.7	0	0	0	112.9	V72 E74 L78 F84 R162 I163 V188	V72-L76 HydrophobicContact CG1-CD1 3.67Å; V72-L76 HydrophobicContact CG1-CG 4.24Å; V72-L76 WeakPolarHBondContact O-CB 3.43Å; V72-L76 WeakPolarHBondContact O-CG 3.32Å; V72-L76 PolarHBondContact O-N 3.13Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.8Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 HydrophobicContact CB-CD1 4.48Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-L78 HydrophobicContact CB-CG 3.9Å; L76-L78 PolarHBondContact O-N 2.81Å; L76-F84 HydrophobicContact CD1-CE2 3.75Å; L76-F84 HydrophobicContact CD1-CZ 4.43Å; L76-R162 HydrophobicContact CD2-CB 4.25Å; L76-R162 WeakPolarHBondContact O-CD 3.35Å; L76-R162 PolarHBondContact O-NE 3.48Å; L76-I163 WeakPolarHBondContact CD2-O 3.48Å; L76-V188 HydrophobicContact CD2-CB 4.2Å; L76-V188 HydrophobicContact CD2-CG2 3.73Å; L76-V188 HydrophobicContact CG-CG2 3.97Å
77	K	98.1	Very high	97.9	Very high	119 Å²	119	24.2 Å²	24.2	52%	0.517	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	54.4	179.9	-57.7	-177.9	-179.5	177.9	0	112.1	E74 A75 R162 I186	E74-K77 PolarHBondContact O-N 2.76Å; A75-K77 PolarHBondContact O-N 2.84Å; K77-R162 PolarHBondContact O-NE 2.94Å; K77-R162 PolarHBondContact O-NH2 3.19Å; K77-R162 VanDerWaalsContact O-NH2 3.1Å; K77-I186 HydrophobicContact CB-CD1 3.98Å; K77-I186 HydrophobicContact CD-CD1 3.92Å; K77-I186 HydrophobicContact CG-CD1 4.13Å
78	L	98.4	Very high	97.9	Very high	5 Å²	5	25 Å²	25	3%	0.026	13%	0.134	C	C	.	.			trans	-66.5	144.9	-177.1	-66.1	166.5	0	0	0	110.7	M73 L76 F84 V98 I101 I102 R162	M73-L78 HydrophobicContact CE-CD1 4.03Å; M73-L78 HydrophobicContact SD-CD1 3.77Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 HydrophobicContact CB-CD1 4.48Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-L78 HydrophobicContact CB-CG 3.9Å; L76-L78 PolarHBondContact O-N 2.81Å; L78-F84 HydrophobicContact CD2-CD2 4.48Å; L78-V98 HydrophobicContact CD1-CB 4.28Å; L78-V98 HydrophobicContact CD1-CG1 4.04Å; L78-V98 HydrophobicContact CD1-CG2 3.71Å; L78-V98 HydrophobicContact CD2-CG1 3.94Å; L78-I101 HydrophobicContact CB-CB 4.33Å; L78-I101 HydrophobicContact CB-CG2 3.59Å; L78-I101 HydrophobicContact CD1-CD1 4.02Å; L78-I102 HydrophobicContact CB-CG2 4.45Å; L78-I102 HydrophobicContact CD2-CG2 4.07Å; L78-R162 HydrophobicContact CD2-CB 4.23Å; L78-R162 HydrophobicContact CD2-CG 4.07Å
79	Q	97.2	Very high	97.9	Very high	122 Å²	122	25 Å²	25	57%	0.57	13%	0.134	S	C	*	.			trans	-146.2	159.5	179.7	-64.3	-177.7	-35.5	0	0	109.7	L82 I102	Q79-L82 HydrophobicContact CB-CD1 3.89Å; Q79-L82 HydrophobicContact CB-CG 4.04Å; Q79-L82 HydrophobicContact CG-CD1 4.48Å; Q79-L82 WeakPolarHBondContact O-CB 3.4Å; Q79-L82 WeakPolarHBondContact O-CG 3.35Å; Q79-L82 PolarHBondContact O-N 2.92Å; Q79-I102 WeakPolarHBondContact O-CA 3.21Å
80	Q	97.4	Very high	97.8	Very high	124 Å²	124	24.8 Å²	24.8	58%	0.579	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	140.3	176.6	-68.3	-172	23.2	0	0	111.7	L82 I102	Q80-L82 VanDerWaalsContact C-N 3.26Å; Q80-L82 PolarHBondContact O-N 3.35Å; Q80-I102 CarbonylContact C-O 3.59Å; Q80-I102 VanDerWaalsContact CA-O 3.28Å; Q80-I102 WeakPolarHBondContact CA-O 3.27Å
81	G	96.6	Very high	97.8	Very high	39 Å²	39	24.8 Å²	24.8	40%	0.402	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-5.2	178	0	0	0	0	0	115.3	I102	G81-I102 PolarHBondContact N-O 3.08Å
82	L	98.2	Very high	97.8	Very high	24 Å²	24	23.7 Å²	23.7	13%	0.126	13%	0.13	C	C	.	.			trans	-70.1	154.3	178.5	-66.7	-172.6	0	0	0	112.5	Q79 Q80 I102 G106 V107 D161 R162	Q79-L82 HydrophobicContact CB-CD1 3.89Å; Q79-L82 HydrophobicContact CB-CG 4.04Å; Q79-L82 HydrophobicContact CG-CD1 4.48Å; Q79-L82 WeakPolarHBondContact O-CB 3.4Å; Q79-L82 WeakPolarHBondContact O-CG 3.35Å; Q79-L82 PolarHBondContact O-N 2.92Å; Q80-L82 VanDerWaalsContact C-N 3.26Å; Q80-L82 PolarHBondContact O-N 3.35Å; L82-I102 HydrophobicContact CB-CG2 4.43Å; L82-G106 VanDerWaalsContact O-CA 3.28Å; L82-G106 WeakPolarHBondContact O-CA 3.48Å; L82-V107 PolarHBondContact O-N 3.34Å; L82-V107 VanDerWaalsContact O-N 3.12Å; L82-D161 HydrophobicContact CB-CB 4.22Å; L82-D161 HydrophobicContact CD2-CB 3.92Å; L82-D161 HydrophobicContact CG-CB 4.47Å; L82-R162 HydrophobicContact CD1-CG 3.93Å
83	S	98.6	Very high	97.8	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.1	167.3	48.1	0	0	0	0	113.3	V107 Y160 D161 R162 K182	S83-V107 CarbonylContact C-O 3.52Å; S83-V107 WeakPolarHBondContact CA-O 3.48Å; S83-Y160 WeakPolarHBondContact OG-CA 3.37Å; S83-D161 WeakPolarHBondContact CB-OD2 3.41Å; S83-D161 PolarHBondContact N-OD2 3.35Å; S83-D161 PolarHBondContact O-N 3.16Å; S83-D161 VanDerWaalsContact O-N 3.13Å; S83-D161 PolarHBondContact OG-N 2.93Å; S83-D161 PolarHBondContact OG-OD2 3.15Å; S83-R162 PolarHBondContact O-N 2.97Å; S83-K182 PolarHBondContact OG-NZ 3.06Å
84	F	98.8	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.9	179.8	178.7	-114.7	0	0	0	112.4	L76 L78 N86 L94 V98 I102 V107 N108 H109 Y160 R162	L76-F84 HydrophobicContact CD1-CE2 3.75Å; L76-F84 HydrophobicContact CD1-CZ 4.43Å; L78-F84 HydrophobicContact CD2-CD2 4.48Å; F84-N86 HydrophobicContact CE1-CB 3.66Å; F84-N86 HydrophobicContact CZ-CB 3.9Å; F84-L94 HydrophobicContact CZ-CD2 4.36Å; F84-V98 HydrophobicContact CB-CG1 3.93Å; F84-V98 HydrophobicContact CD1-CB 3.95Å; F84-V98 HydrophobicContact CD1-CG1 3.52Å; F84-V98 HydrophobicContact CD1-CG2 4.08Å; F84-V98 HydrophobicContact CD2-CG1 4.35Å; F84-V98 HydrophobicContact CE1-CB 3.99Å; F84-V98 HydrophobicContact CE1-CG1 4.03Å; F84-V98 HydrophobicContact CE1-CG2 3.69Å; F84-V98 HydrophobicContact CE2-CG2 4.41Å; F84-V98 HydrophobicContact CG-CG1 3.68Å; F84-V98 HydrophobicContact CZ-CG2 3.89Å; F84-I102 HydrophobicContact CB-CD1 4.39Å; F84-V107 PolarHBondContact N-O 3.46Å; F84-N108 WeakPolarHBondContact CD1-OD1 3.42Å; F84-H109 PolarHBondContact O-N 2.81Å; F84-Y160 VanDerWaalsContact C-CD1 3.47Å; F84-R162 CarbonylContact C-O 3.57Å; F84-R162 VanDerWaalsContact CA-O 3.27Å; F84-R162 WeakPolarHBondContact CA-O 3.29Å; F84-R162 HydrophobicContact CD2-CB 3.86Å
85	L	98.6	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.5	171.4	179.7	63.8	0	0	0	110	L87 H109 V111 I153 Y160 R162 I163 Y164 L180 L235	L85-L87 HydrophobicContact CD1-CD2 4.29Å; L85-L87 HydrophobicContact CD2-CD2 3.81Å; L85-L87 HydrophobicContact CD2-CG 4.37Å; L85-L87 HydrophobicContact CG-CD2 3.87Å; L85-L87 HydrophobicContact CG-CG 4.28Å; L85-H109 CarbonylContact C-O 3.54Å; L85-H109 WeakPolarHBondContact CA-O 3.44Å; L85-H109 HydrophobicContact CD1-CB 3.98Å; L85-V111 HydrophobicContact CD1-CG2 4.2Å; L85-I153 HydrophobicContact CD2-CD1 4.31Å; L85-Y160 HydrophobicContact CB-CD1 3.66Å; L85-Y160 HydrophobicContact CB-CD2 3.85Å; L85-Y160 HydrophobicContact CB-CE1 3.89Å; L85-Y160 HydrophobicContact CB-CE2 4.1Å; L85-Y160 HydrophobicContact CB-CG 3.65Å; L85-Y160 HydrophobicContact CD1-CE2 4.41Å; L85-Y160 HydrophobicContact CD2-CD2 3.86Å; L85-Y160 HydrophobicContact CD2-CE2 3.83Å; L85-Y160 HydrophobicContact CG-CD2 4.42Å; L85-Y160 HydrophobicContact CG-CE2 4.35Å; L85-R162 PolarHBondContact N-O 2.79Å; L85-I163 HydrophobicContact CB-CG1 4.21Å; L85-I163 HydrophobicContact CB-CG2 4.39Å; L85-I163 HydrophobicContact CD2-CG2 4.5Å; L85-I163 VanDerWaalsContact O-CA 3.32Å; L85-I163 WeakPolarHBondContact O-CA 3.28Å; L85-Y164 PolarHBondContact O-N 3.28Å; L85-L180 HydrophobicContact CD2-CD1 4.13Å; L85-L235 HydrophobicContact CD1-CD1 4.17Å
86	N	98.5	Very high	97.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.011	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	109.8	176	-169.5	-0.2	0	0	0	110.2	F84 S95 H109 G110 V111 Y164	F84-N86 HydrophobicContact CE1-CB 3.66Å; F84-N86 HydrophobicContact CZ-CB 3.9Å; N86-S95 PolarHBondContact ND2-OG 3.04Å; N86-H109 PolarHBondContact N-O 3.21Å; N86-G110 CarbonylContact O-C 3.39Å; N86-G110 WeakPolarHBondContact O-CA 3.48Å; N86-V111 PolarHBondContact O-N 2.92Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.34Å
87	L	97.6	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115	178.6	-57.4	176	0	0	0	109.2	L85 V111 C150 I153 I163 Y164 C165 G166 M177	L85-L87 HydrophobicContact CD1-CD2 4.29Å; L85-L87 HydrophobicContact CD2-CD2 3.81Å; L85-L87 HydrophobicContact CD2-CG 4.37Å; L85-L87 HydrophobicContact CG-CD2 3.87Å; L85-L87 HydrophobicContact CG-CG 4.28Å; L87-V111 HydrophobicContact CD2-CB 4.43Å; L87-C150 HydrophobicContact CB-CB 4.08Å; L87-C150 HydrophobicContact CD2-CB 4Å; L87-C150 HydrophobicContact CG-CB 4.48Å; L87-I153 HydrophobicContact CD2-CD1 3.48Å; L87-I153 VanDerWaalsContact CD2-CD1 3.48Å; L87-I163 HydrophobicContact CD1-CG2 4.01Å; L87-I163 HydrophobicContact CG-CG2 4.28Å; L87-Y164 PolarHBondContact N-O 2.92Å; L87-C165 HydrophobicContact CB-CB 4.16Å; L87-C165 HydrophobicContact CD1-CB 4.34Å; L87-C165 WeakPolarHBondContact O-CA 3.42Å; L87-G166 PolarHBondContact O-N 2.98Å; L87-M177 HydrophobicContact CD1-CE 4.07Å; L87-M177 HydrophobicContact CD1-SD 3.44Å; L87-M177 WeakPolarHBondContact CD1-SD 3.4Å
88	G	96.3	Very high	97.8	Very high	23 Å²	23	16.9 Å²	16.9	24%	0.237	10%	0.099	C	C	.	.	S	Bend	trans	77.9	58.7	-166.5	0	0	0	0	0	110.6	G90 V111 C150	G88-G90 PolarHBondContact O-N 3.14Å; G88-G90 VanDerWaalsContact O-N 3.14Å; G88-V111 WeakPolarHBondContact CA-O 3.48Å; G88-V111 PolarHBondContact N-O 3.33Å; G88-C150 PolarHBondContact N-SG 3.48Å; G88-C150 VanDerWaalsContact N-SG 3.4Å
89	S	96.4	Very high	97.8	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.021	10%	0.098	C	C	.	.			trans	-65	-16.8	-172.5	58.3	0	0	0	0	114.5	T91 G92 V111 E112 F145	S89-T91 PolarHBondContact O-N 2.81Å; S89-G92 PolarHBondContact O-N 2.94Å; S89-G92 VanDerWaalsContact O-N 3.09Å; S89-V111 PolarHBondContact N-O 3.29Å; S89-V111 VanDerWaalsContact N-O 3.09Å; S89-E112 PolarHBondContact N-OE2 3.33Å; S89-F145 WeakPolarHBondContact OG-CD1 3.45Å
90	G	95.8	Very high	97.9	Very high	7 Å²	7	11.5 Å²	11.5	7%	0.072	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-134.6	175.3	0	0	0	0	0	111.8	G88 G92 E112 V117	G88-G90 PolarHBondContact O-N 3.14Å; G88-G90 VanDerWaalsContact O-N 3.14Å; G90-G92 PolarHBondContact O-N 3.14Å; G90-E112 PolarHBondContact N-OE2 3.22Å; G90-V117 WeakPolarHBondContact O-CG1 3.49Å
91	T	96.9	Very high	97.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-5.7	179.6	66.3	0	0	0	0	115	Y41 I61 L63 S89 Y93 Y120 A121	Y41-T91 WeakPolarHBondContact CD1-O 3.48Å; I61-T91 HydrophobicContact CG2-CG2 3.52Å; L63-T91 HydrophobicContact CB-CG2 4.49Å; L63-T91 HydrophobicContact CD1-CG2 4.14Å; L63-T91 VanDerWaalsContact CD1-OG1 3.23Å; L63-T91 WeakPolarHBondContact CD1-OG1 3.31Å; S89-T91 PolarHBondContact O-N 2.81Å; T91-Y93 PolarHBondContact O-N 3.01Å; T91-Y93 WeakPolarHBondContact OG1-CB 3.38Å; T91-Y93 PolarHBondContact OG1-N 3.09Å; T91-Y120 HydrophobicContact CG2-CD1 4.21Å; T91-Y120 HydrophobicContact CG2-CE1 3.73Å; T91-A121 WeakPolarHBondContact O-CA 3.21Å
92	G	97.9	Very high	98	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	80.2	-5.3	-172.4	0	0	0	0	0	114.7	S89 G90 L94 S95 T96	S89-G92 PolarHBondContact O-N 2.94Å; S89-G92 VanDerWaalsContact O-N 3.09Å; G90-G92 PolarHBondContact O-N 3.14Å; G92-L94 PolarHBondContact O-N 3.45Å; G92-S95 CarbonylContact O-C 3.46Å; G92-S95 WeakPolarHBondContact O-CB 3.35Å; G92-S95 PolarHBondContact O-N 2.84Å; G92-T96 PolarHBondContact O-N 3.41Å; G92-T96 PolarHBondContact O-OG1 2.91Å; G92-T96 VanDerWaalsContact O-OG1 3.07Å
93	Y	98.5	Very high	97.9	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.008	3%	0.027	C	C	.	.	H	α-helix	trans	-52.1	-51.8	-176.5	177.8	-113.4	0	0	0	113.7	I36 R38 Y41 L63 Y69 T91 T96 M97	I36-Y93 HydrophobicContact CB-CE2 4.26Å; I36-Y93 HydrophobicContact CG2-CD2 3.83Å; I36-Y93 HydrophobicContact CG2-CE2 3.62Å; R38-Y93 HydrophobicContact CB-CE2 4.18Å; Y41-Y93 HydrophobicContact CD1-CD2 4.2Å; Y41-Y93 HydrophobicContact CD1-CG 4.38Å; Y41-Y93 AromaticContact CD2-CD2 3.5Å; Y41-Y93 HydrophobicContact CD2-CD2 3.5Å; Y41-Y93 VanDerWaalsContact CD2-CD2 3.5Å; Y41-Y93 HydrophobicContact CD2-CE2 4.25Å; Y41-Y93 HydrophobicContact CD2-CG 4.4Å; Y41-Y93 VanDerWaalsContact CE1-CA 3.42Å; Y41-Y93 HydrophobicContact CE1-CD2 4.47Å; Y41-Y93 AromaticContact CE2-CD2 3.86Å; Y41-Y93 HydrophobicContact CE2-CD2 3.86Å; Y41-Y93 AromaticContact CG-CD2 3.69Å; Y41-Y93 HydrophobicContact CG-CD2 3.69Å; Y41-Y93 HydrophobicContact CG-CG 4.16Å; L63-Y93 HydrophobicContact CD1-CD1 4Å; L63-Y93 HydrophobicContact CD1-CG 4.06Å; Y69-Y93 AromaticContact CD2-CD1 3.77Å; Y69-Y93 HydrophobicContact CD2-CD1 3.77Å; Y69-Y93 AromaticContact CD2-CE1 3.88Å; Y69-Y93 HydrophobicContact CD2-CE1 3.88Å; Y69-Y93 AromaticContact CE2-CD1 3.65Å; Y69-Y93 HydrophobicContact CE2-CD1 3.65Å; Y69-Y93 HydrophobicContact CE2-CE1 4.21Å; T91-Y93 PolarHBondContact O-N 3.01Å; T91-Y93 WeakPolarHBondContact OG1-CB 3.38Å; T91-Y93 PolarHBondContact OG1-N 3.09Å; Y93-T96 PolarHBondContact O-N 2.97Å; Y93-M97 HydrophobicContact CD1-CE 3.54Å; Y93-M97 HydrophobicContact CE1-CE 3.19Å; Y93-M97 HydrophobicContact CE1-SD 3.81Å; Y93-M97 HydrophobicContact CE2-CE 4.42Å; Y93-M97 HydrophobicContact CE2-SD 4.26Å; Y93-M97 HydrophobicContact CG-CE 4.29Å; Y93-M97 PolarHBondContact O-N 2.98Å; Y93-M97 VanDerWaalsContact O-N 3.09Å
94	L	98.6	Very high	97.7	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-62.3	-45.5	177.3	-175.6	76.2	0	0	0	111	Y69 V72 M73 F84 G92 T96 M97 V98 Y164	Y69-L94 HydrophobicContact CD1-CB 4.37Å; Y69-L94 HydrophobicContact CD1-CD1 3.8Å; Y69-L94 HydrophobicContact CD1-CD2 4.35Å; Y69-L94 HydrophobicContact CD1-CG 4.4Å; Y69-L94 HydrophobicContact CE1-CB 4.11Å; Y69-L94 HydrophobicContact CE1-CD1 4.36Å; Y69-L94 HydrophobicContact CE1-CD2 4.3Å; Y69-L94 HydrophobicContact CG-CD1 4.13Å; V72-L94 HydrophobicContact CG1-CD2 4.3Å; M73-L94 HydrophobicContact CG-CD1 3.8Å; M73-L94 HydrophobicContact SD-CD1 3.6Å; M73-L94 VanDerWaalsContact SD-CD1 3.6Å; F84-L94 HydrophobicContact CZ-CD2 4.36Å; G92-L94 PolarHBondContact O-N 3.45Å; L94-T96 VanDerWaalsContact C-N 3.3Å; L94-T96 PolarHBondContact O-N 3.33Å; L94-M97 HydrophobicContact CD1-CE 4.06Å; L94-M97 PolarHBondContact O-N 3.5Å; L94-M97 VanDerWaalsContact O-N 3.17Å; L94-V98 HydrophobicContact CG-CG2 4.42Å; L94-V98 WeakPolarHBondContact O-CG2 3.37Å; L94-V98 PolarHBondContact O-N 3.24Å; L94-Y164 HydrophobicContact CD2-CD1 3.2Å; L94-Y164 HydrophobicContact CD2-CE1 3.47Å; L94-Y164 VanDerWaalsContact CD2-CE1 3.47Å; L94-Y164 HydrophobicContact CD2-CG 3.95Å
95	S	98.6	Very high	97.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.6	-38.4	179.5	-70.7	0	0	0	0	112.1	N86 G92 V98 G99 N108	N86-S95 PolarHBondContact ND2-OG 3.04Å; G92-S95 CarbonylContact O-C 3.46Å; G92-S95 WeakPolarHBondContact O-CB 3.35Å; G92-S95 PolarHBondContact O-N 2.84Å; S95-V98 PolarHBondContact O-N 3.07Å; S95-G99 PolarHBondContact O-N 2.94Å; S95-N108 PolarHBondContact O-ND2 2.94Å
96	T	98.5	Very high	97.5	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-66.1	-44.5	174.5	-47.8	0	0	0	0	111.2	I36 Y41 G92 Y93 L94 V98 G99 L100 L125 F128 F140	I36-T96 VanDerWaalsContact CD1-C 3.49Å; I36-T96 HydrophobicContact CD1-CG2 3.44Å; I36-T96 VanDerWaalsContact CD1-CG2 3.44Å; I36-T96 HydrophobicContact CG1-CG2 4.49Å; Y41-T96 WeakPolarHBondContact OH-CB 3.38Å; Y41-T96 VanDerWaalsContact OH-CG2 3.28Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.39Å; Y41-T96 PolarHBondContact OH-OG1 3.49Å; G92-T96 PolarHBondContact O-N 3.41Å; G92-T96 PolarHBondContact O-OG1 2.91Å; G92-T96 VanDerWaalsContact O-OG1 3.07Å; Y93-T96 PolarHBondContact O-N 2.97Å; L94-T96 VanDerWaalsContact C-N 3.3Å; L94-T96 PolarHBondContact O-N 3.33Å; T96-V98 PolarHBondContact O-N 3.15Å; T96-G99 WeakPolarHBondContact O-CA 3.32Å; T96-G99 PolarHBondContact O-N 2.89Å; T96-G99 VanDerWaalsContact O-N 3.08Å; T96-L100 PolarHBondContact O-N 3.49Å; T96-L125 HydrophobicContact CG2-CD1 4.3Å; T96-F128 HydrophobicContact CG2-CD1 3.64Å; T96-F128 HydrophobicContact CG2-CE1 3.87Å; T96-F128 HydrophobicContact CG2-CG 4.03Å; T96-F128 HydrophobicContact CG2-CZ 4.44Å; T96-F140 HydrophobicContact CG2-CE2 3.86Å; T96-F140 HydrophobicContact CG2-CZ 3.8Å; T96-F140 WeakPolarHBondContact O-CE2 3.22Å
97	M	98.6	Very high	97.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.3	-43.2	175.1	-73.5	-173.4	-63.6	0	0	112.3	A32 F33 I36 M73 Y93 L94 G99 L100	A32-M97 HydrophobicContact CB-CB 4.39Å; F33-M97 HydrophobicContact CD1-SD 3.99Å; F33-M97 HydrophobicContact CD2-SD 3.89Å; F33-M97 HydrophobicContact CE1-CE 4.34Å; F33-M97 HydrophobicContact CE1-SD 4.12Å; F33-M97 HydrophobicContact CE2-CE 4.37Å; F33-M97 HydrophobicContact CE2-SD 4.02Å; F33-M97 HydrophobicContact CG-SD 3.89Å; F33-M97 HydrophobicContact CZ-CE 4.13Å; F33-M97 HydrophobicContact CZ-SD 4.13Å; I36-M97 HydrophobicContact CB-CG 4.26Å; I36-M97 HydrophobicContact CD1-CB 4.24Å; I36-M97 HydrophobicContact CD1-CG 3.69Å; I36-M97 HydrophobicContact CG1-CG 4.41Å; M73-M97 HydrophobicContact CE-CB 3.84Å; Y93-M97 HydrophobicContact CD1-CE 3.54Å; Y93-M97 HydrophobicContact CE1-CE 3.19Å; Y93-M97 HydrophobicContact CE1-SD 3.81Å; Y93-M97 HydrophobicContact CE2-CE 4.42Å; Y93-M97 HydrophobicContact CE2-SD 4.26Å; Y93-M97 HydrophobicContact CG-CE 4.29Å; Y93-M97 PolarHBondContact O-N 2.98Å; Y93-M97 VanDerWaalsContact O-N 3.09Å; L94-M97 HydrophobicContact CD1-CE 4.06Å; L94-M97 PolarHBondContact O-N 3.5Å; L94-M97 VanDerWaalsContact O-N 3.17Å; M97-G99 PolarHBondContact O-N 3.33Å; M97-L100 PolarHBondContact O-N 3.3Å
98	V	98.7	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.9	-39.8	174.5	175.1	0	0	0	0	110.8	M73 L78 F84 L94 S95 T96 L100 I101 I102	M73-V98 HydrophobicContact CE-CG2 4.34Å; M73-V98 HydrophobicContact SD-CG2 3.68Å; L78-V98 HydrophobicContact CD1-CB 4.28Å; L78-V98 HydrophobicContact CD1-CG1 4.04Å; L78-V98 HydrophobicContact CD1-CG2 3.71Å; L78-V98 HydrophobicContact CD2-CG1 3.94Å; F84-V98 HydrophobicContact CB-CG1 3.93Å; F84-V98 HydrophobicContact CD1-CB 3.95Å; F84-V98 HydrophobicContact CD1-CG1 3.52Å; F84-V98 HydrophobicContact CD1-CG2 4.08Å; F84-V98 HydrophobicContact CD2-CG1 4.35Å; F84-V98 HydrophobicContact CE1-CB 3.99Å; F84-V98 HydrophobicContact CE1-CG1 4.03Å; F84-V98 HydrophobicContact CE1-CG2 3.69Å; F84-V98 HydrophobicContact CE2-CG2 4.41Å; F84-V98 HydrophobicContact CG-CG1 3.68Å; F84-V98 HydrophobicContact CZ-CG2 3.89Å; L94-V98 HydrophobicContact CG-CG2 4.42Å; L94-V98 WeakPolarHBondContact O-CG2 3.37Å; L94-V98 PolarHBondContact O-N 3.24Å; S95-V98 PolarHBondContact O-N 3.07Å; T96-V98 PolarHBondContact O-N 3.15Å; V98-L100 PolarHBondContact O-N 2.89Å; V98-I101 PolarHBondContact O-N 3.38Å; V98-I102 HydrophobicContact CG1-CD1 4.16Å; V98-I102 HydrophobicContact CG1-CG1 4.4Å; V98-I102 HydrophobicContact CG1-CG2 3.79Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 2.96Å
99	G	98.4	Very high	97.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-56.3	-35.8	177.8	0	0	0	0	0	113.8	S95 T96 M97 I101 G103 C141	S95-G99 PolarHBondContact O-N 2.94Å; T96-G99 WeakPolarHBondContact O-CA 3.32Å; T96-G99 PolarHBondContact O-N 2.89Å; T96-G99 VanDerWaalsContact O-N 3.08Å; M97-G99 PolarHBondContact O-N 3.33Å; G99-I101 VanDerWaalsContact C-N 3.33Å; G99-G103 PolarHBondContact O-N 3.35Å; G99-C141 VanDerWaalsContact CA-O 3.23Å; G99-C141 WeakPolarHBondContact CA-O 3.48Å; G99-C141 PolarHBondContact O-N 3.46Å
100	L	97.9	Very high	97.7	Very high	13 Å²	13	9.5 Å²	9.5	7%	0.068	5%	0.051	C	C	.	.	H	α-helix	trans	-70.9	-26.8	175.7	-59	178.5	0	0	0	113.2	A35 I36 T96 M97 V98 F128 F138 F140	A35-L100 HydrophobicContact CB-CD1 3.58Å; I36-L100 HydrophobicContact CD1-CD1 3.53Å; I36-L100 HydrophobicContact CD1-CG 4.14Å; I36-L100 HydrophobicContact CG1-CD1 3.66Å; T96-L100 PolarHBondContact O-N 3.49Å; M97-L100 PolarHBondContact O-N 3.3Å; V98-L100 PolarHBondContact O-N 2.89Å; L100-F128 HydrophobicContact CD2-CE1 4.27Å; L100-F128 HydrophobicContact CD2-CZ 3.87Å; L100-F138 HydrophobicContact CB-CD1 4.15Å; L100-F138 HydrophobicContact CB-CG 4.31Å; L100-F138 HydrophobicContact CD1-CD2 4.35Å; L100-F138 HydrophobicContact CD1-CG 4.45Å; L100-F138 HydrophobicContact CD2-CB 3.59Å; L100-F138 HydrophobicContact CD2-CD2 4.17Å; L100-F138 HydrophobicContact CD2-CG 3.86Å; L100-F138 HydrophobicContact CG-CG 4.43Å; L100-F140 HydrophobicContact CD2-CD2 3.53Å; L100-F140 HydrophobicContact CD2-CE2 4.11Å; L100-F140 HydrophobicContact CD2-CG 4.36Å; L100-F140 HydrophobicContact CG-CD2 4.18Å; L100-F140 HydrophobicContact CG-CE2 4.44Å
101	I	98.3	Very high	97.7	Very high	17 Å²	17	9.1 Å²	9.1	9%	0.087	5%	0.047	C	C	.	.	H	α-helix	trans	-89.2	-44.1	-177.1	-59.7	172.4	0	0	0	111.4	Y28 A32 M73 L78 V98 G99 G103	Y28-I101 HydrophobicContact CD2-CD1 4.09Å; Y28-I101 HydrophobicContact CD2-CG1 4.43Å; Y28-I101 HydrophobicContact CD2-CG2 3.93Å; Y28-I101 HydrophobicContact CE2-CG2 4.39Å; A32-I101 HydrophobicContact CB-CD1 3.92Å; A32-I101 HydrophobicContact CB-CG1 3.93Å; M73-I101 HydrophobicContact CE-CD1 3.27Å; L78-I101 HydrophobicContact CB-CB 4.33Å; L78-I101 HydrophobicContact CB-CG2 3.59Å; L78-I101 HydrophobicContact CD1-CD1 4.02Å; V98-I101 PolarHBondContact O-N 3.38Å; G99-I101 VanDerWaalsContact C-N 3.33Å; I101-G103 VanDerWaalsContact C-N 3.28Å; I101-G103 PolarHBondContact O-N 3.41Å
102	I	98.3	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-79	-14.7	-176.7	71.3	175.7	0	0	0	112.8	L78 Q79 Q80 G81 L82 F84 V98 V107 N108 C141	L78-I102 HydrophobicContact CB-CG2 4.45Å; L78-I102 HydrophobicContact CD2-CG2 4.07Å; Q79-I102 WeakPolarHBondContact O-CA 3.21Å; Q80-I102 CarbonylContact C-O 3.59Å; Q80-I102 VanDerWaalsContact CA-O 3.28Å; Q80-I102 WeakPolarHBondContact CA-O 3.27Å; G81-I102 PolarHBondContact N-O 3.08Å; L82-I102 HydrophobicContact CB-CG2 4.43Å; F84-I102 HydrophobicContact CB-CD1 4.39Å; V98-I102 HydrophobicContact CG1-CD1 4.16Å; V98-I102 HydrophobicContact CG1-CG1 4.4Å; V98-I102 HydrophobicContact CG1-CG2 3.79Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 2.96Å; I102-V107 WeakPolarHBondContact CD1-O 2.97Å; I102-N108 HydrophobicContact CD1-CB 4Å; I102-C141 HydrophobicContact CD1-CB 3.84Å; I102-C141 HydrophobicContact CG1-CB 3.59Å
103	G	96.2	Very high	97.7	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.031	7%	0.066	C	C	.	.			trans	64.3	178.9	172.1	0	0	0	0	0	114.4	G99 I101 F105 G106 C141	G99-G103 PolarHBondContact O-N 3.35Å; I101-G103 VanDerWaalsContact C-N 3.28Å; I101-G103 PolarHBondContact O-N 3.41Å; G103-F105 PolarHBondContact O-N 3.2Å; G103-G106 PolarHBondContact O-N 3.11Å; G103-C141 WeakPolarHBondContact O-CB 3.28Å
104	P	94.9	Very high	97.6	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.032	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.4	-161.9	25.8	-35.1	0	0	0	113.5	E139 R241 I249	P104-E139 HydrophobicContact CG-CB 3.88Å; P104-R241 PolarHBondContact O-NE 3.01Å; P104-R241 PolarHBondContact O-NH2 3.03Å; P104-I249 HydrophobicContact CB-CD1 3.82Å; P104-I249 HydrophobicContact CB-CG1 4.34Å; P104-I249 HydrophobicContact CB-CG2 4.4Å; P104-I249 HydrophobicContact CG-CD1 4.46Å; P104-I249 HydrophobicContact CG-CG2 3.9Å
105	F	95.4	Very high	97.5	Very high	113 Å²	113	24 Å²	24	50%	0.496	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.6	177.4	-53.4	-68.1	0	0	0	113.4	G103 L246 I249	G103-F105 PolarHBondContact O-N 3.2Å; F105-L246 HydrophobicContact CE1-CD2 3.71Å; F105-L246 HydrophobicContact CZ-CD2 4.46Å; F105-I249 HydrophobicContact CZ-CG2 4.49Å
106	G	96.8	Very high	97.4	Very high	10 Å²	10	27.9 Å²	27.9	10%	0.103	13%	0.131	C	C	.	.	S	Bend	trans	-75	179.9	171.5	0	0	0	0	0	112.6	L82 G103 C141	L82-G106 VanDerWaalsContact O-CA 3.28Å; L82-G106 WeakPolarHBondContact O-CA 3.48Å; G103-G106 PolarHBondContact O-N 3.11Å; G106-C141 VanDerWaalsContact C-SG 3.55Å; G106-C141 PolarHBondContact O-SG 2.98Å; G106-C141 VanDerWaalsContact O-SG 3.39Å
107	V	97.8	Very high	97.4	Very high	22 Å²	22	27.8 Å²	27.8	13%	0.133	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.7	169.4	179.5	0	0	0	0	108.3	L82 S83 F84 I102 H109 V238	L82-V107 PolarHBondContact O-N 3.34Å; L82-V107 VanDerWaalsContact O-N 3.12Å; S83-V107 CarbonylContact C-O 3.52Å; S83-V107 WeakPolarHBondContact CA-O 3.48Å; F84-V107 PolarHBondContact N-O 3.46Å; I102-V107 WeakPolarHBondContact CD1-O 2.97Å; V107-H109 WeakPolarHBondContact CG1-NE2 3.31Å; V107-V238 HydrophobicContact CG1-CG2 4.07Å; V107-V238 HydrophobicContact CG2-CG1 3.92Å; V107-V238 HydrophobicContact CG2-CG2 3.97Å
108	N	98.3	Very high	97.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	101.2	-172.7	-170	-5.5	0	0	0	110	F84 S95 I102 C141 P143 I144	F84-N108 WeakPolarHBondContact CD1-OD1 3.42Å; S95-N108 PolarHBondContact O-ND2 2.94Å; I102-N108 HydrophobicContact CD1-CB 4Å; N108-C141 HydrophobicContact CB-CB 4.36Å; N108-C141 PolarHBondContact ND2-O 3.5Å; N108-P143 HydrophobicContact CB-CB 4.34Å; N108-P143 WeakPolarHBondContact O-CA 3.38Å; N108-I144 PolarHBondContact O-N 3.41Å
109	H	98.4	Very high	97.4	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	139.6	179.8	-64.8	165.7	0	0	0	110.7	F84 L85 N86 V107 I144 Y160 P236	F84-H109 PolarHBondContact O-N 2.81Å; L85-H109 CarbonylContact C-O 3.54Å; L85-H109 WeakPolarHBondContact CA-O 3.44Å; L85-H109 HydrophobicContact CD1-CB 3.98Å; N86-H109 PolarHBondContact N-O 3.21Å; V107-H109 WeakPolarHBondContact CG1-NE2 3.31Å; H109-I144 WeakPolarHBondContact CA-O 3.23Å; H109-Y160 HydrophobicContact CB-CE1 4.28Å; H109-Y160 AromaticContact ND1-CE1 3.78Å; H109-Y160 AromaticContact ND1-CZ 3.69Å; H109-Y160 PolarHBondContact ND1-OH 3.17Å; H109-P236 PolarHBondContact CE1-O 2.7Å
110	G	98	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.6	172	0	0	0	0	0	110.7	N86 I144 F145 T146	N86-G110 CarbonylContact O-C 3.39Å; N86-G110 WeakPolarHBondContact O-CA 3.48Å; G110-I144 PolarHBondContact N-O 2.76Å; G110-F145 CarbonylContact O-C 3.53Å; G110-F145 WeakPolarHBondContact O-CA 3.23Å; G110-T146 PolarHBondContact O-N 3.49Å
111	V	97.8	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.9	170.7	-178.5	0	0	0	0	107.8	L85 N86 L87 G88 S89 T146 G148 I153 V233 L235	L85-V111 HydrophobicContact CD1-CG2 4.2Å; N86-V111 PolarHBondContact O-N 2.92Å; L87-V111 HydrophobicContact CD2-CB 4.43Å; G88-V111 WeakPolarHBondContact CA-O 3.48Å; G88-V111 PolarHBondContact N-O 3.33Å; S89-V111 PolarHBondContact N-O 3.29Å; S89-V111 VanDerWaalsContact N-O 3.09Å; V111-T146 WeakPolarHBondContact CA-O 3.47Å; V111-G148 WeakPolarHBondContact CG1-O 3.47Å; V111-I153 HydrophobicContact CG2-CD1 4.14Å; V111-V233 HydrophobicContact CG1-CG1 4.37Å; V111-L235 HydrophobicContact CG2-CD2 3.48Å; V111-L235 VanDerWaalsContact CG2-CD2 3.48Å
112	E	97.5	Very high	97.4	Very high	19 Å²	19	36 Å²	36	9%	0.089	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.4	179.2	171.4	56.1	-116.3	0	0	109.8	S89 G90 H114 V117 V118 T146 V147 G148	S89-E112 PolarHBondContact N-OE2 3.33Å; G90-E112 PolarHBondContact N-OE2 3.22Å; E112-H114 IonicContact OE1-CD2 3.56Å; E112-H114 PolarHBondContact OE1-N 3.44Å; E112-V117 HydrophobicContact CG-CB 3.78Å; E112-V117 HydrophobicContact CG-CG1 3.73Å; E112-V118 HydrophobicContact CB-CG2 3.6Å; E112-V118 HydrophobicContact CG-CG2 3.92Å; E112-T146 PolarHBondContact N-O 3.4Å; E112-V147 CarbonylContact O-C 3.59Å; E112-V147 VanDerWaalsContact O-CA 3.31Å; E112-V147 WeakPolarHBondContact O-CA 3.36Å; E112-G148 CarbonylContact C-O 3.54Å; E112-G148 PolarHBondContact O-N 2.99Å
113	L	95.8	Very high	97.4	Very high	57 Å²	57	41.1 Å²	41.1	30%	0.298	19%	0.193	S	C	.	.	S	Bend	trans	-70.2	-39.1	-173	-178.8	64.9	0	0	0	111.4	G148 N149 V220	L113-G148 WeakPolarHBondContact CA-O 3.16Å; L113-G148 PolarHBondContact N-O 2.98Å; L113-N149 HydrophobicContact CD1-CB 4.17Å; L113-V220 HydrophobicContact CD2-CB 3.75Å; L113-V220 HydrophobicContact CD2-CG1 4.11Å; L113-V220 HydrophobicContact CD2-CG2 3.75Å
114	H	96.4	Very high	97.5	Very high	64 Å²	64	42.2 Å²	42.2	30%	0.296	20%	0.197	S	C	.	.			trans	-96.9	121.4	-169.7	-67.6	-72.3	0	0	0	111.5	N60 E112 D116 V117 V118	N60-H114 HydrophobicContact CB-CB 4.18Å; E112-H114 IonicContact OE1-CD2 3.56Å; E112-H114 PolarHBondContact OE1-N 3.44Å; H114-D116 VanDerWaalsContact C-N 3.34Å; H114-D116 WeakPolarHBondContact CB-OD1 3.41Å; H114-D116 PolarHBondContact O-N 2.87Å; H114-V117 HydrophobicContact CB-CB 4.01Å; H114-V117 HydrophobicContact CB-CG2 3.59Å; H114-V117 WeakPolarHBondContact O-CB 3.48Å; H114-V117 PolarHBondContact O-N 2.94Å; H114-V117 VanDerWaalsContact O-N 3.1Å; H114-V118 PolarHBondContact O-N 2.66Å; H114-V118 VanDerWaalsContact O-N 3.07Å
115	R	96.9	Very high	97.6	Very high	174 Å²	174	42.3 Å²	42.3	66%	0.657	20%	0.197	S	C	*	.	H	α-helix	trans	-60	-42.7	-179.5	-179.7	176.5	-69.7	-142.8	-0.2	112.4	V117 V118 D119 V147	R115-V117 PolarHBondContact O-N 3.32Å; R115-V118 PolarHBondContact O-N 3.29Å; R115-V118 VanDerWaalsContact O-N 3.15Å; R115-D119 PolarHBondContact O-N 3.37Å; R115-V147 HydrophobicContact CB-CG1 4.25Å; R115-V147 HydrophobicContact CB-CG2 4.19Å; R115-V147 HydrophobicContact CG-CG2 4.22Å
116	D	97.6	Very high	97.7	Very high	82 Å²	82	40.1 Å²	40.1	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-57.9	-34.9	175.6	54.4	-51.9	0	0	0	112.3	N60 H114 Y120	N60-D116 PolarHBondContact ND2-OD1 3.41Å; N60-D116 PolarHBondContact ND2-OD2 3.26Å; H114-D116 VanDerWaalsContact C-N 3.34Å; H114-D116 WeakPolarHBondContact CB-OD1 3.41Å; H114-D116 PolarHBondContact O-N 2.87Å; D116-Y120 WeakPolarHBondContact O-CB 3.48Å; D116-Y120 PolarHBondContact O-N 3.43Å
117	V	97.9	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-75	-38.1	177.2	-176.7	0	0	0	0	111.4	N60 I61 G90 E112 H114 R115 Y120 A121	N60-V117 HydrophobicContact CB-CG2 3.54Å; I61-V117 HydrophobicContact CG1-CG2 4.25Å; G90-V117 WeakPolarHBondContact O-CG1 3.49Å; E112-V117 HydrophobicContact CG-CB 3.78Å; E112-V117 HydrophobicContact CG-CG1 3.73Å; H114-V117 HydrophobicContact CB-CB 4.01Å; H114-V117 HydrophobicContact CB-CG2 3.59Å; H114-V117 WeakPolarHBondContact O-CB 3.48Å; H114-V117 PolarHBondContact O-N 2.94Å; H114-V117 VanDerWaalsContact O-N 3.1Å; R115-V117 PolarHBondContact O-N 3.32Å; V117-Y120 PolarHBondContact O-N 3.47Å; V117-A121 WeakPolarHBondContact O-CB 3.35Å; V117-A121 PolarHBondContact O-N 3.34Å
118	V	98.4	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-44.1	172.6	169.3	0	0	0	0	111.6	E112 H114 R115 Y120 A121 K122 F145 V147	E112-V118 HydrophobicContact CB-CG2 3.6Å; E112-V118 HydrophobicContact CG-CG2 3.92Å; H114-V118 PolarHBondContact O-N 2.66Å; H114-V118 VanDerWaalsContact O-N 3.07Å; R115-V118 PolarHBondContact O-N 3.29Å; R115-V118 VanDerWaalsContact O-N 3.15Å; V118-Y120 VanDerWaalsContact C-N 3.32Å; V118-A121 PolarHBondContact O-N 2.88Å; V118-K122 HydrophobicContact CG1-CD 4.16Å; V118-K122 WeakPolarHBondContact O-CG 3.33Å; V118-K122 PolarHBondContact O-N 2.78Å; V118-F145 HydrophobicContact CG1-CB 3.9Å; V118-V147 HydrophobicContact CB-CG2 3.88Å; V118-V147 HydrophobicContact CG1-CG2 3.99Å; V118-V147 HydrophobicContact CG2-CG2 3.74Å
119	D	98.4	Very high	97.3	Very high	85 Å²	85	42.7 Å²	42.7	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-42.1	178.8	-67	-23.7	0	0	0	110.5	R115 A121 K122 E123	R115-D119 PolarHBondContact O-N 3.37Å; D119-A121 PolarHBondContact O-N 3.08Å; D119-K122 PolarHBondContact O-N 2.96Å; D119-E123 PolarHBondContact O-N 3.26Å
120	Y	98.3	Very high	96.9	Very high	19 Å²	19	47.4 Å²	47.4	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-43.9	172.3	-176.2	-99.4	0	0	0	112.7	Y41 Y42 L43 I61 T91 D116 V117 V118 K122 E123 K124	Y41-Y120 PolarHBondContact O-OH 2.74Å; Y42-Y120 PolarHBondContact O-OH 2.87Å; Y42-Y120 VanDerWaalsContact O-OH 3.08Å; L43-Y120 HydrophobicContact CD2-CD2 4.47Å; L43-Y120 HydrophobicContact CD2-CE2 3.7Å; L43-Y120 HydrophobicContact CG-CE2 4.37Å; L43-Y120 PolarHBondContact N-OH 3.26Å; I61-Y120 HydrophobicContact CD1-CD1 3.98Å; I61-Y120 HydrophobicContact CD1-CD2 3.92Å; I61-Y120 HydrophobicContact CD1-CE1 4.17Å; I61-Y120 HydrophobicContact CD1-CE2 4.1Å; I61-Y120 HydrophobicContact CD1-CG 3.83Å; I61-Y120 HydrophobicContact CG1-CD1 4.5Å; I61-Y120 HydrophobicContact CG2-CD1 4.48Å; I61-Y120 HydrophobicContact CG2-CE1 4.23Å; T91-Y120 HydrophobicContact CG2-CD1 4.21Å; T91-Y120 HydrophobicContact CG2-CE1 3.73Å; D116-Y120 WeakPolarHBondContact O-CB 3.48Å; D116-Y120 PolarHBondContact O-N 3.43Å; V117-Y120 PolarHBondContact O-N 3.47Å; V118-Y120 VanDerWaalsContact C-N 3.32Å; Y120-K122 VanDerWaalsContact C-N 3.34Å; Y120-K122 PolarHBondContact O-N 3.45Å; Y120-E123 WeakPolarHBondContact O-CB 3.41Å; Y120-E123 PolarHBondContact O-N 3.46Å; Y120-K124 HydrophobicContact CD1-CG 4.2Å; Y120-K124 HydrophobicContact CE1-CG 3.85Å; Y120-K124 VanDerWaalsContact CE2-CE 3.48Å; Y120-K124 HydrophobicContact CE2-CG 4.49Å; Y120-K124 WeakPolarHBondContact O-CG 3.35Å; Y120-K124 PolarHBondContact O-N 3.39Å; Y120-K124 WeakPolarHBondContact OH-CE 3.48Å
121	A	98.3	Very high	96.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-40.7	178	0	0	0	0	0	112.4	T91 V117 V118 D119 K124 L125 F145	T91-A121 WeakPolarHBondContact O-CA 3.21Å; V117-A121 WeakPolarHBondContact O-CB 3.35Å; V117-A121 PolarHBondContact O-N 3.34Å; V118-A121 PolarHBondContact O-N 2.88Å; D119-A121 PolarHBondContact O-N 3.08Å; A121-K124 PolarHBondContact O-N 2.88Å; A121-L125 WeakPolarHBondContact O-CB 3.27Å; A121-L125 PolarHBondContact O-N 2.85Å; A121-F145 HydrophobicContact CB-CD1 4.45Å; A121-F145 HydrophobicContact CB-CD2 3.99Å; A121-F145 HydrophobicContact CB-CE1 4.38Å; A121-F145 HydrophobicContact CB-CE2 3.89Å; A121-F145 HydrophobicContact CB-CG 4.28Å; A121-F145 HydrophobicContact CB-CZ 4.1Å
122	K	98.4	Very high	96.1	Very high	99 Å²	99	52.1 Å²	52.1	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-42	174.6	-71.9	171.4	-180	171.5	0	111.7	V118 D119 Y120 L125 D126 F145	V118-K122 HydrophobicContact CG1-CD 4.16Å; V118-K122 WeakPolarHBondContact O-CG 3.33Å; V118-K122 PolarHBondContact O-N 2.78Å; D119-K122 PolarHBondContact O-N 2.96Å; Y120-K122 VanDerWaalsContact C-N 3.34Å; Y120-K122 PolarHBondContact O-N 3.45Å; K122-L125 PolarHBondContact O-N 3.07Å; K122-D126 WeakPolarHBondContact O-CB 3.24Å; K122-D126 PolarHBondContact O-N 3.36Å; K122-F145 HydrophobicContact CG-CD2 4.08Å
123	E	98	Very high	95.6	Very high	107 Å²	107	53.9 Å²	53.9	50%	0.5	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.7	-169.1	-159.4	139	0	0	111.5	D119 Y120 L125 D126 N127	D119-E123 PolarHBondContact O-N 3.26Å; Y120-E123 WeakPolarHBondContact O-CB 3.41Å; Y120-E123 PolarHBondContact O-N 3.46Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.36Å; E123-D126 PolarHBondContact O-N 2.86Å; E123-N127 WeakPolarHBondContact O-CB 3.42Å; E123-N127 PolarHBondContact O-N 3.17Å; E123-N127 PolarHBondContact O-ND2 2.91Å
124	K	97.7	Very high	95.2	Very high	25 Å²	25	52 Å²	52	11%	0.109	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-38.6	177.5	-66.3	-51.7	-170.3	169.5	0	112.7	D40 Y41 Y42 Y120 A121 N127 F128	D40-K124 VanDerWaalsContact O-CD 3.25Å; D40-K124 WeakPolarHBondContact O-CD 3.3Å; D40-K124 WeakPolarHBondContact O-CE 3.07Å; D40-K124 PolarHBondContact O-NZ 2.98Å; Y41-K124 HydrophobicContact CD1-CB 3.81Å; Y41-K124 HydrophobicContact CD1-CG 4.12Å; Y41-K124 HydrophobicContact CE1-CB 3.68Å; Y41-K124 HydrophobicContact CE1-CG 4.5Å; Y42-K124 PolarHBondContact O-NZ 3.47Å; Y120-K124 HydrophobicContact CD1-CG 4.2Å; Y120-K124 HydrophobicContact CE1-CG 3.85Å; Y120-K124 VanDerWaalsContact CE2-CE 3.48Å; Y120-K124 HydrophobicContact CE2-CG 4.49Å; Y120-K124 WeakPolarHBondContact O-CG 3.35Å; Y120-K124 PolarHBondContact O-N 3.39Å; Y120-K124 WeakPolarHBondContact OH-CE 3.48Å; A121-K124 PolarHBondContact O-N 2.88Å; K124-N127 PolarHBondContact O-N 3.33Å; K124-F128 PolarHBondContact O-N 2.96Å
125	L	97.8	Very high	95	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-47.6	174.7	177.5	64.2	0	0	0	112.1	T96 A121 K122 E123 N127 F128 I129 F140 E142 P143 F145	T96-L125 HydrophobicContact CG2-CD1 4.3Å; A121-L125 WeakPolarHBondContact O-CB 3.27Å; A121-L125 PolarHBondContact O-N 2.85Å; K122-L125 PolarHBondContact O-N 3.07Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.36Å; L125-N127 VanDerWaalsContact C-N 3.3Å; L125-N127 PolarHBondContact O-N 2.95Å; L125-F128 WeakPolarHBondContact O-CB 3.47Å; L125-F128 PolarHBondContact O-N 3.48Å; L125-F128 VanDerWaalsContact O-N 3.13Å; L125-I129 HydrophobicContact CD1-CD1 4.07Å; L125-I129 HydrophobicContact CD1-CG1 4.37Å; L125-I129 HydrophobicContact CG-CD1 3.98Å; L125-I129 WeakPolarHBondContact O-CG1 3.49Å; L125-I129 PolarHBondContact O-N 3.29Å; L125-F140 HydrophobicContact CD1-CE1 3.88Å; L125-F140 HydrophobicContact CD1-CZ 3.67Å; L125-E142 HydrophobicContact CD2-CG 3.81Å; L125-E142 HydrophobicContact CG-CG 4.49Å; L125-P143 HydrophobicContact CD1-CG 3.87Å; L125-P143 HydrophobicContact CD2-CG 3.82Å; L125-P143 HydrophobicContact CG-CG 4.43Å; L125-F145 HydrophobicContact CB-CE2 4.46Å; L125-F145 HydrophobicContact CD2-CE2 4.09Å
126	D	96.6	Very high	94.6	Very high	66 Å²	66	41.3 Å²	41.3	35%	0.353	21%	0.205	S	C	.	.	H	α-helix	trans	-61.2	-41.6	178.1	-176.9	63.7	0	0	0	111.2	K122 E123 F128 I129 K130	K122-D126 WeakPolarHBondContact O-CB 3.24Å; K122-D126 PolarHBondContact O-N 3.36Å; E123-D126 PolarHBondContact O-N 2.86Å; D126-F128 PolarHBondContact O-N 3.37Å; D126-I129 PolarHBondContact O-N 3.01Å; D126-K130 WeakPolarHBondContact O-CB 3.38Å; D126-K130 WeakPolarHBondContact O-CG 3.23Å; D126-K130 PolarHBondContact O-N 3.13Å; D126-K130 WeakPolarHBondContact OD1-CE 3.45Å; D126-K130 IonicContact OD1-NZ 3.96Å; D126-K130 PolarHBondContact OD1-NZ 3.06Å; D126-K130 WeakPolarHBondContact OD2-CD 3.44Å; D126-K130 WeakPolarHBondContact OD2-CE 3.2Å; D126-K130 IonicContact OD2-NZ 3.78Å; D126-K130 PolarHBondContact OD2-NZ 2.69Å
127	N	95.2	Very high	94.3	Very high	59 Å²	59	43.4 Å²	43.4	32%	0.316	21%	0.211	S	C	.	.	H	α-helix	trans	-59.8	-44.2	172.4	-80	-42.4	0	0	0	112.2	E123 K124 L125 N131	E123-N127 WeakPolarHBondContact O-CB 3.42Å; E123-N127 PolarHBondContact O-N 3.17Å; E123-N127 PolarHBondContact O-ND2 2.91Å; K124-N127 PolarHBondContact O-N 3.33Å; L125-N127 VanDerWaalsContact C-N 3.3Å; L125-N127 PolarHBondContact O-N 2.95Å; N127-N131 WeakPolarHBondContact O-CA 3.38Å; N127-N131 WeakPolarHBondContact O-CB 3.39Å; N127-N131 PolarHBondContact O-N 3.4Å
128	F	95.4	Very high	94	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-50.4	175.4	170.3	-105.3	0	0	0	111.5	I36 T96 L100 K124 L125 D126 K130 N132 F135 F140	I36-F128 HydrophobicContact CD1-CE2 4.49Å; I36-F128 HydrophobicContact CG1-CD2 4.42Å; I36-F128 HydrophobicContact CG1-CE2 3.92Å; I36-F128 HydrophobicContact CG1-CZ 4.37Å; T96-F128 HydrophobicContact CG2-CD1 3.64Å; T96-F128 HydrophobicContact CG2-CE1 3.87Å; T96-F128 HydrophobicContact CG2-CG 4.03Å; T96-F128 HydrophobicContact CG2-CZ 4.44Å; L100-F128 HydrophobicContact CD2-CE1 4.27Å; L100-F128 HydrophobicContact CD2-CZ 3.87Å; K124-F128 PolarHBondContact O-N 2.96Å; L125-F128 WeakPolarHBondContact O-CB 3.47Å; L125-F128 PolarHBondContact O-N 3.48Å; L125-F128 VanDerWaalsContact O-N 3.13Å; D126-F128 PolarHBondContact O-N 3.37Å; F128-K130 PolarHBondContact O-N 3.43Å; F128-N132 HydrophobicContact CD2-CB 3.63Å; F128-N132 HydrophobicContact CE2-CB 4.01Å; F128-N132 HydrophobicContact CG-CB 4.46Å; F128-N132 VanDerWaalsContact O-CB 3.24Å; F128-N132 WeakPolarHBondContact O-CB 3.45Å; F128-N132 PolarHBondContact O-N 3.38Å; F128-N132 VanDerWaalsContact O-N 3.09Å; F128-F135 HydrophobicContact CD1-CD2 4.46Å; F128-F135 HydrophobicContact CE1-CB 4.47Å; F128-F135 AromaticContact CE1-CD2 3.94Å; F128-F135 HydrophobicContact CE1-CD2 3.94Å; F128-F135 HydrophobicContact CZ-CB 4.33Å; F128-F140 HydrophobicContact CD1-CE1 4.45Å; F128-F140 HydrophobicContact CD1-CZ 4.2Å; F128-F140 HydrophobicContact CE1-CD2 4.3Å; F128-F140 HydrophobicContact CE1-CE1 4.27Å; F128-F140 AromaticContact CE1-CE2 3.99Å; F128-F140 HydrophobicContact CE1-CE2 3.99Å; F128-F140 AromaticContact CE1-CZ 3.98Å; F128-F140 HydrophobicContact CE1-CZ 3.98Å
129	I	93.9	Very high	93.7	Very high	21 Å²	21	46.7 Å²	46.7	11%	0.108	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-43.8	-178	-66.5	168.7	0	0	0	111.1	L125 D126 F135 F140 E142 R359	L125-I129 HydrophobicContact CD1-CD1 4.07Å; L125-I129 HydrophobicContact CD1-CG1 4.37Å; L125-I129 HydrophobicContact CG-CD1 3.98Å; L125-I129 WeakPolarHBondContact O-CG1 3.49Å; L125-I129 PolarHBondContact O-N 3.29Å; D126-I129 PolarHBondContact O-N 3.01Å; I129-F135 HydrophobicContact CB-CD2 4.43Å; I129-F135 HydrophobicContact CB-CE2 4.34Å; I129-F135 HydrophobicContact CG1-CD2 4.17Å; I129-F135 HydrophobicContact CG1-CE2 3.95Å; I129-F135 HydrophobicContact CG2-CD2 4.45Å; I129-F135 HydrophobicContact CG2-CE2 4.04Å; I129-F135 HydrophobicContact CG2-CZ 4.09Å; I129-F140 HydrophobicContact CD1-CE1 4.27Å; I129-F140 HydrophobicContact CG1-CE1 4.21Å; I129-E142 HydrophobicContact CD1-CG 4.12Å; I129-R359 WeakPolarHBondContact O-CD 3.35Å; I129-R359 PolarHBondContact O-NE 3.17Å
130	K	91.1	Very high	93.6	Very high	103 Å²	103	43.7 Å²	43.7	45%	0.448	21%	0.209	S	C	.	.	H	α-helix	trans	-77.1	-42.4	-176.1	-72.3	174.4	177.5	162.9	0	112.7	D126 F128 R359	D126-K130 WeakPolarHBondContact O-CB 3.38Å; D126-K130 WeakPolarHBondContact O-CG 3.23Å; D126-K130 PolarHBondContact O-N 3.13Å; D126-K130 WeakPolarHBondContact OD1-CE 3.45Å; D126-K130 IonicContact OD1-NZ 3.96Å; D126-K130 PolarHBondContact OD1-NZ 3.06Å; D126-K130 WeakPolarHBondContact OD2-CD 3.44Å; D126-K130 WeakPolarHBondContact OD2-CE 3.2Å; D126-K130 IonicContact OD2-NZ 3.78Å; D126-K130 PolarHBondContact OD2-NZ 2.69Å; F128-K130 PolarHBondContact O-N 3.43Å; K130-R359 PolarHBondContact O-NE 3.11Å; K130-R359 PolarHBondContact O-NH2 2.84Å
131	N	88.9	Confident	93.5	Very high	72 Å²	72	43 Å²	43	39%	0.385	21%	0.207	S	C	.	.	H	α-helix	trans	-111.3	-18.1	-160.2	-63.3	-46	0	0	0	114.9	N127 K361	N127-N131 WeakPolarHBondContact O-CA 3.38Å; N127-N131 WeakPolarHBondContact O-CB 3.39Å; N127-N131 PolarHBondContact O-N 3.4Å; N131-K361 PolarHBondContact O-NZ 2.96Å; N131-K361 VanDerWaalsContact OD1-CE 3.27Å; N131-K361 WeakPolarHBondContact OD1-CE 3.41Å
132	N	89.2	Confident	93.5	Very high	27 Å²	27	48.3 Å²	48.3	14%	0.144	23%	0.231	C	C	.	.			trans	-96.1	127.1	-173.5	-165.9	-47.4	0	0	0	111.5	F128 S134 F135 R359	F128-N132 HydrophobicContact CD2-CB 3.63Å; F128-N132 HydrophobicContact CE2-CB 4.01Å; F128-N132 HydrophobicContact CG-CB 4.46Å; F128-N132 VanDerWaalsContact O-CB 3.24Å; F128-N132 WeakPolarHBondContact O-CB 3.45Å; F128-N132 PolarHBondContact O-N 3.38Å; F128-N132 VanDerWaalsContact O-N 3.09Å; N132-S134 PolarHBondContact O-N 3.44Å; N132-S134 WeakPolarHBondContact OD1-CB 3.47Å; N132-S134 PolarHBondContact OD1-N 2.85Å; N132-S134 PolarHBondContact OD1-OG 3.25Å; N132-F135 VanDerWaalsContact O-CB 3.32Å; N132-F135 WeakPolarHBondContact O-CB 3.47Å; N132-F135 PolarHBondContact O-N 2.91Å; N132-R359 PolarHBondContact O-NH2 2.86Å
133	D	86.4	Confident	93.4	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.294	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.6	-179	-63.9	-32.7	0	0	0	112.8	F135 D136	D133-F135 PolarHBondContact O-N 3.44Å; D133-D136 PolarHBondContact O-N 3.01Å
134	S	88.9	Confident	93.4	Very high	17 Å²	17	42.5 Å²	42.5	12%	0.119	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-29.3	172.7	-62.5	0	0	0	0	111.6	A35 N132 D136 K137 F138	A35-S134 WeakPolarHBondContact O-CB 3.44Å; A35-S134 PolarHBondContact O-OG 3.3Å; N132-S134 PolarHBondContact O-N 3.44Å; N132-S134 WeakPolarHBondContact OD1-CB 3.47Å; N132-S134 PolarHBondContact OD1-N 2.85Å; N132-S134 PolarHBondContact OD1-OG 3.25Å; S134-D136 PolarHBondContact O-N 3.3Å; S134-D136 VanDerWaalsContact O-N 3.12Å; S134-K137 WeakPolarHBondContact O-CB 3.38Å; S134-K137 PolarHBondContact O-N 2.91Å; S134-F138 VanDerWaalsContact O-CD2 3.27Å; S134-F138 WeakPolarHBondContact O-CD2 3.28Å; S134-F138 PolarHBondContact O-N 3.39Å
135	F	90.6	Very high	93.4	Very high	10 Å²	10	41.8 Å²	41.8	4%	0.044	21%	0.205	C	C	.	.	H	α-helix	trans	-54.5	-35.5	177.2	-179.7	-94.6	0	0	0	112.9	F128 I129 N132 D133 F140 H357	F128-F135 HydrophobicContact CD1-CD2 4.46Å; F128-F135 HydrophobicContact CE1-CB 4.47Å; F128-F135 AromaticContact CE1-CD2 3.94Å; F128-F135 HydrophobicContact CE1-CD2 3.94Å; F128-F135 HydrophobicContact CZ-CB 4.33Å; I129-F135 HydrophobicContact CB-CD2 4.43Å; I129-F135 HydrophobicContact CB-CE2 4.34Å; I129-F135 HydrophobicContact CG1-CD2 4.17Å; I129-F135 HydrophobicContact CG1-CE2 3.95Å; I129-F135 HydrophobicContact CG2-CD2 4.45Å; I129-F135 HydrophobicContact CG2-CE2 4.04Å; I129-F135 HydrophobicContact CG2-CZ 4.09Å; N132-F135 VanDerWaalsContact O-CB 3.32Å; N132-F135 WeakPolarHBondContact O-CB 3.47Å; N132-F135 PolarHBondContact O-N 2.91Å; D133-F135 PolarHBondContact O-N 3.44Å; F135-F140 HydrophobicContact CD2-CD1 4.27Å; F135-F140 HydrophobicContact CE2-CB 4.25Å; F135-F140 AromaticContact CE2-CD1 3.76Å; F135-F140 HydrophobicContact CE2-CD1 3.76Å; F135-F140 HydrophobicContact CE2-CE1 4.5Å; F135-F140 HydrophobicContact CE2-CG 4.29Å; F135-H357 HydrophobicContact CE1-CB 4.35Å; F135-H357 AromaticContact CE1-CD2 3.63Å; F135-H357 AromaticContact CE1-CG 3.8Å; F135-H357 AromaticContact CE1-NE2 3.87Å; F135-H357 AromaticContact CZ-CE1 3.78Å; F135-H357 AromaticContact CZ-ND1 3.85Å; F135-H357 AromaticContact CZ-NE2 3.94Å
136	D	90.1	Very high	93.4	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-77.5	-22.2	178.6	-71.5	-52.7	0	0	0	113.7	D133 S134 R252 R256 N336 L338 R359	D133-D136 PolarHBondContact O-N 3.01Å; S134-D136 PolarHBondContact O-N 3.3Å; S134-D136 VanDerWaalsContact O-N 3.12Å; D136-R252 IonicContact OD1-CZ 3.49Å; D136-R252 VanDerWaalsContact OD1-CZ 3.32Å; D136-R252 IonicContact OD1-NH1 2.79Å; D136-R252 PolarHBondContact OD1-NH1 3.47Å; D136-R252 IonicContact OD1-NH2 3.55Å; D136-R252 PolarHBondContact OD1-NH2 3Å; D136-R256 WeakPolarHBondContact O-CD 3.23Å; D136-R256 PolarHBondContact O-NH1 3.26Å; D136-N336 PolarHBondContact OD2-ND2 3.06Å; D136-L338 HydrophobicContact CB-CB 4.28Å; D136-L338 HydrophobicContact CB-CD2 3.96Å; D136-L338 WeakPolarHBondContact O-CD2 3.44Å; D136-R359 VanDerWaalsContact CG-NH1 3.31Å; D136-R359 IonicContact OD1-NH1 3.98Å; D136-R359 IonicContact OD2-CZ 2.94Å; D136-R359 IonicContact OD2-NH1 2.76Å; D136-R359 PolarHBondContact OD2-NH1 3.22Å; D136-R359 IonicContact OD2-NH2 3.95Å
137	K	90.3	Very high	93.5	Very high	127 Å²	127	42.2 Å²	42.2	55%	0.552	21%	0.21	S	C	*	.	H	α-helix	trans	-78.3	-22.7	-179.8	-59.7	-179.6	-175	173.7	0	112.9	S134	S134-K137 WeakPolarHBondContact O-CB 3.38Å; S134-K137 PolarHBondContact O-N 2.91Å
138	F	92.3	Very high	93.5	Very high	40 Å²	40	40 Å²	40	18%	0.175	20%	0.201	C	C	.	.	S	Bend	trans	-112.9	159.9	-176	-66.6	-90.4	0	0	0	112.6	Q31 A35 L100 S134 R256	Q31-F138 HydrophobicContact CB-CE1 4.31Å; Q31-F138 HydrophobicContact CB-CZ 4.25Å; A35-F138 HydrophobicContact CB-CD2 4.13Å; A35-F138 HydrophobicContact CB-CE2 3.38Å; A35-F138 HydrophobicContact CB-CZ 3.76Å; L100-F138 HydrophobicContact CB-CD1 4.15Å; L100-F138 HydrophobicContact CB-CG 4.31Å; L100-F138 HydrophobicContact CD1-CD2 4.35Å; L100-F138 HydrophobicContact CD1-CG 4.45Å; L100-F138 HydrophobicContact CD2-CB 3.59Å; L100-F138 HydrophobicContact CD2-CD2 4.17Å; L100-F138 HydrophobicContact CD2-CG 3.86Å; L100-F138 HydrophobicContact CG-CG 4.43Å; S134-F138 VanDerWaalsContact O-CD2 3.27Å; S134-F138 WeakPolarHBondContact O-CD2 3.28Å; S134-F138 PolarHBondContact O-N 3.39Å; F138-R256 PolarHBondContact O-NH1 2.91Å
139	E	92.6	Very high	93.4	Very high	28 Å²	28	39.9 Å²	39.9	13%	0.131	20%	0.201	C	C	.	.			trans	-90.3	137.1	156.1	-46.5	-173.6	102.9	0	0	107.7	P104 R253	P104-E139 HydrophobicContact CG-CB 3.88Å; E139-R253 IonicContact OE1-CZ 3.41Å; E139-R253 IonicContact OE1-NE 2.69Å; E139-R253 PolarHBondContact OE1-NE 2.69Å; E139-R253 IonicContact OE1-NH2 2.66Å; E139-R253 IonicContact OE2-CZ 3.91Å; E139-R253 IonicContact OE2-NE 2.95Å; E139-R253 PolarHBondContact OE2-NE 3.32Å; E139-R253 IonicContact OE2-NH2 3.34Å; E139-R253 PolarHBondContact OE2-NH2 2.66Å
140	F	95.8	Very high	93.3	Very high	23 Å²	23	39.2 Å²	39.2	10%	0.101	20%	0.198	C	C	.	.			trans	-128.1	129.9	-164.4	-175.8	-122	0	0	0	112.8	T96 L100 L125 F128 I129 F135 E142	T96-F140 HydrophobicContact CG2-CE2 3.86Å; T96-F140 HydrophobicContact CG2-CZ 3.8Å; T96-F140 WeakPolarHBondContact O-CE2 3.22Å; L100-F140 HydrophobicContact CD2-CD2 3.53Å; L100-F140 HydrophobicContact CD2-CE2 4.11Å; L100-F140 HydrophobicContact CD2-CG 4.36Å; L100-F140 HydrophobicContact CG-CD2 4.18Å; L100-F140 HydrophobicContact CG-CE2 4.44Å; L125-F140 HydrophobicContact CD1-CE1 3.88Å; L125-F140 HydrophobicContact CD1-CZ 3.67Å; F128-F140 HydrophobicContact CD1-CE1 4.45Å; F128-F140 HydrophobicContact CD1-CZ 4.2Å; F128-F140 HydrophobicContact CE1-CD2 4.3Å; F128-F140 HydrophobicContact CE1-CE1 4.27Å; F128-F140 AromaticContact CE1-CE2 3.99Å; F128-F140 HydrophobicContact CE1-CE2 3.99Å; F128-F140 AromaticContact CE1-CZ 3.98Å; F128-F140 HydrophobicContact CE1-CZ 3.98Å; I129-F140 HydrophobicContact CD1-CE1 4.27Å; I129-F140 HydrophobicContact CG1-CE1 4.21Å; F135-F140 HydrophobicContact CD2-CD1 4.27Å; F135-F140 HydrophobicContact CE2-CB 4.25Å; F135-F140 AromaticContact CE2-CD1 3.76Å; F135-F140 HydrophobicContact CE2-CD1 3.76Å; F135-F140 HydrophobicContact CE2-CE1 4.5Å; F135-F140 HydrophobicContact CE2-CG 4.29Å; F140-E142 HydrophobicContact CD1-CB 4.28Å; F140-E142 HydrophobicContact CE1-CB 3.98Å; F140-E142 HydrophobicContact CE1-CG 4.22Å
141	C	96.9	Very high	93.4	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.034	18%	0.184	C	C	.	.			trans	-91.9	101.8	162.6	-165.9	0	0	0	0	109.9	G99 I102 G103 G106 N108 P143	G99-C141 VanDerWaalsContact CA-O 3.23Å; G99-C141 WeakPolarHBondContact CA-O 3.48Å; G99-C141 PolarHBondContact O-N 3.46Å; I102-C141 HydrophobicContact CD1-CB 3.84Å; I102-C141 HydrophobicContact CG1-CB 3.59Å; G103-C141 WeakPolarHBondContact O-CB 3.28Å; G106-C141 VanDerWaalsContact C-SG 3.55Å; G106-C141 PolarHBondContact O-SG 2.98Å; G106-C141 VanDerWaalsContact O-SG 3.39Å; N108-C141 HydrophobicContact CB-CB 4.36Å; N108-C141 PolarHBondContact ND2-O 3.5Å; C141-P143 WeakPolarHBondContact O-CD 3.48Å
142	E	96.4	Very high	93.5	Very high	110 Å²	110	33.9 Å²	33.9	51%	0.514	17%	0.173	S	C	.	.			trans	-59	124.7	174.6	-167.6	173.9	160.6	0	0	111	L125 I129 F140	L125-E142 HydrophobicContact CD2-CG 3.81Å; L125-E142 HydrophobicContact CG-CG 4.49Å; I129-E142 HydrophobicContact CD1-CG 4.12Å; F140-E142 HydrophobicContact CD1-CB 4.28Å; F140-E142 HydrophobicContact CE1-CB 3.98Å; F140-E142 HydrophobicContact CE1-CG 4.22Å
143	P	97.9	Very high	93.7	Very high	4 Å²	4	33 Å²	33	3%	0.026	17%	0.168	C	C	.	.			trans	-72.5	139.9	175.1	24.2	-27.4	0	0	0	112.2	N108 L125 C141 F145	N108-P143 HydrophobicContact CB-CB 4.34Å; N108-P143 WeakPolarHBondContact O-CA 3.38Å; L125-P143 HydrophobicContact CD1-CG 3.87Å; L125-P143 HydrophobicContact CD2-CG 3.82Å; L125-P143 HydrophobicContact CG-CG 4.43Å; C141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-F145 HydrophobicContact CB-CE1 4.07Å; P143-F145 HydrophobicContact CB-CE2 4.12Å; P143-F145 HydrophobicContact CB-CZ 3.69Å; P143-F145 HydrophobicContact CG-CE2 3.92Å; P143-F145 HydrophobicContact CG-CZ 3.66Å
144	I	97.9	Very high	93.8	Very high	81 Å²	81	31.6 Å²	31.6	42%	0.415	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.7	172	-48.9	175.2	0	0	0	108.9	N108 H109 G110 P236	N108-I144 PolarHBondContact O-N 3.41Å; H109-I144 WeakPolarHBondContact CA-O 3.23Å; G110-I144 PolarHBondContact N-O 2.76Å; I144-P236 HydrophobicContact CB-CG 4.12Å; I144-P236 HydrophobicContact CD1-CB 4.17Å; I144-P236 HydrophobicContact CG2-CB 4.08Å; I144-P236 HydrophobicContact CG2-CG 3.49Å; I144-P236 VanDerWaalsContact CG2-CG 3.49Å
145	F	98.1	Very high	93.3	Very high	10 Å²	10	36.2 Å²	36.2	4%	0.044	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.7	-177.4	-57.7	-68.6	0	0	0	112	S89 G110 V118 A121 K122 L125 P143	S89-F145 WeakPolarHBondContact OG-CD1 3.45Å; G110-F145 CarbonylContact O-C 3.53Å; G110-F145 WeakPolarHBondContact O-CA 3.23Å; V118-F145 HydrophobicContact CG1-CB 3.9Å; A121-F145 HydrophobicContact CB-CD1 4.45Å; A121-F145 HydrophobicContact CB-CD2 3.99Å; A121-F145 HydrophobicContact CB-CE1 4.38Å; A121-F145 HydrophobicContact CB-CE2 3.89Å; A121-F145 HydrophobicContact CB-CG 4.28Å; A121-F145 HydrophobicContact CB-CZ 4.1Å; K122-F145 HydrophobicContact CG-CD2 4.08Å; L125-F145 HydrophobicContact CB-CE2 4.46Å; L125-F145 HydrophobicContact CD2-CE2 4.09Å; P143-F145 HydrophobicContact CB-CE1 4.07Å; P143-F145 HydrophobicContact CB-CE2 4.12Å; P143-F145 HydrophobicContact CB-CZ 3.69Å; P143-F145 HydrophobicContact CG-CE2 3.92Å; P143-F145 HydrophobicContact CG-CZ 3.66Å
146	T	97.4	Very high	92.9	Very high	25 Å²	25	42.8 Å²	42.8	15%	0.153	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.7	-179.3	-52.2	0	0	0	0	109.9	G110 V111 E112 V233 P236	G110-T146 PolarHBondContact O-N 3.49Å; V111-T146 WeakPolarHBondContact CA-O 3.47Å; E112-T146 PolarHBondContact N-O 3.4Å; T146-V233 HydrophobicContact CG2-CG1 3.86Å; T146-P236 WeakPolarHBondContact OG1-CD 3.44Å
147	V	97.3	Very high	92.7	Very high	57 Å²	57	43.7 Å²	43.7	35%	0.345	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.7	173.4	-177	0	0	0	0	108.4	E112 R115 V118	E112-V147 CarbonylContact O-C 3.59Å; E112-V147 VanDerWaalsContact O-CA 3.31Å; E112-V147 WeakPolarHBondContact O-CA 3.36Å; R115-V147 HydrophobicContact CB-CG1 4.25Å; R115-V147 HydrophobicContact CB-CG2 4.19Å; R115-V147 HydrophobicContact CG-CG2 4.22Å; V118-V147 HydrophobicContact CB-CG2 3.88Å; V118-V147 HydrophobicContact CG1-CG2 3.99Å; V118-V147 HydrophobicContact CG2-CG2 3.74Å
148	G	94.9	Very high	92.8	Very high	12 Å²	12	41.1 Å²	41.1	12%	0.124	22%	0.224	C	C	.	.	S	Bend	trans	167.4	166.3	176.8	0	0	0	0	0	114.5	V111 E112 L113	V111-G148 WeakPolarHBondContact CG1-O 3.47Å; E112-G148 CarbonylContact C-O 3.54Å; E112-G148 PolarHBondContact O-N 2.99Å; L113-G148 WeakPolarHBondContact CA-O 3.16Å; L113-G148 PolarHBondContact N-O 2.98Å
149	N	93.6	Very high	93	Very high	7 Å²	7	43 Å²	43	4%	0.037	23%	0.233	C	C	.	.			trans	-78.8	128.6	172.9	-165.9	-38	0	0	0	110.3	L113 L151 E152 V220	L113-N149 HydrophobicContact CD1-CB 4.17Å; N149-L151 PolarHBondContact O-N 2.97Å; N149-L151 VanDerWaalsContact O-N 3.13Å; N149-L151 WeakPolarHBondContact OD1-CB 3.17Å; N149-L151 PolarHBondContact OD1-N 2.72Å; N149-E152 HydrophobicContact CB-CB 4.23Å; N149-E152 HydrophobicContact CB-CG 4.12Å; N149-E152 WeakPolarHBondContact CB-OE2 3.47Å; N149-E152 PolarHBondContact O-N 2.79Å; N149-V220 PolarHBondContact ND2-O 3.18Å
150	C	93.1	Very high	93.2	Very high	7 Å²	7	41.6 Å²	41.6	5%	0.047	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.4	178.4	-65.9	0	0	0	0	113.7	L87 G88 E152 Y176 L219	L87-C150 HydrophobicContact CB-CB 4.08Å; L87-C150 HydrophobicContact CD2-CB 4Å; L87-C150 HydrophobicContact CG-CB 4.48Å; G88-C150 PolarHBondContact N-SG 3.48Å; G88-C150 VanDerWaalsContact N-SG 3.4Å; C150-E152 VanDerWaalsContact C-N 3.33Å; C150-Y176 WeakPolarHBondContact O-CE1 3.38Å; C150-L219 HydrophobicContact CB-CD2 4.27Å
151	L	92.6	Very high	93.4	Very high	28 Å²	28	42 Å²	42	15%	0.147	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	1.8	176.3	-62.7	175	0	0	0	113.5	N149 H173 Y176 M177 L219 Q221	N149-L151 PolarHBondContact O-N 2.97Å; N149-L151 VanDerWaalsContact O-N 3.13Å; N149-L151 WeakPolarHBondContact OD1-CB 3.17Å; N149-L151 PolarHBondContact OD1-N 2.72Å; L151-H173 HydrophobicContact CD2-CB 3.9Å; L151-Y176 HydrophobicContact CD2-CD1 4.18Å; L151-Y176 PolarHBondContact O-OH 3.04Å; L151-M177 HydrophobicContact CD2-CE 3.57Å; L151-L219 HydrophobicContact CD1-CB 4.48Å; L151-L219 HydrophobicContact CD2-CD1 4.17Å; L151-L219 HydrophobicContact CG-CD1 4.46Å; L151-Q221 HydrophobicContact CD1-CG 4.23Å
152	E	92.1	Very high	93.5	Very high	35 Å²	35	42.8 Å²	42.8	16%	0.164	23%	0.232	C	C	.	.			trans	-125.5	17.1	-174.7	-65.1	174.6	169.7	0	0	112.6	N149 C150 S154 Y176 Q222 P230 A232 V233	N149-E152 HydrophobicContact CB-CB 4.23Å; N149-E152 HydrophobicContact CB-CG 4.12Å; N149-E152 WeakPolarHBondContact CB-OE2 3.47Å; N149-E152 PolarHBondContact O-N 2.79Å; C150-E152 VanDerWaalsContact C-N 3.33Å; E152-S154 PolarHBondContact O-N 3.35Å; E152-Y176 PolarHBondContact N-OH 3.22Å; E152-Q222 VanDerWaalsContact CD-CD 3.48Å; E152-Q222 WeakPolarHBondContact OE1-CB 3.46Å; E152-Q222 WeakPolarHBondContact OE1-CG 3.47Å; E152-Q222 PolarHBondContact OE1-NE2 3.18Å; E152-Q222 PolarHBondContact OE1-OE1 3.42Å; E152-Q222 VanDerWaalsContact OE2-CD 3.3Å; E152-Q222 PolarHBondContact OE2-NE2 2.95Å; E152-P230 VanDerWaalsContact CD-CB 3.45Å; E152-P230 HydrophobicContact CG-CG 4.34Å; E152-P230 WeakPolarHBondContact OE1-CB 3.46Å; E152-P230 WeakPolarHBondContact OE1-CG 3.38Å; E152-P230 WeakPolarHBondContact OE2-CB 3.49Å; E152-A232 CarbonylContact O-C 3.59Å; E152-A232 WeakPolarHBondContact O-CA 3.48Å; E152-V233 HydrophobicContact CB-CG2 4.29Å; E152-V233 PolarHBondContact O-N 2.94Å
153	I	92.6	Very high	93.6	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.041	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-59.6	130.2	170.3	-60.3	172.4	0	0	0	109.2	L85 L87 V111 S157 Y176 L180 V233 L235	L85-I153 HydrophobicContact CD2-CD1 4.31Å; L87-I153 HydrophobicContact CD2-CD1 3.48Å; L87-I153 VanDerWaalsContact CD2-CD1 3.48Å; V111-I153 HydrophobicContact CG2-CD1 4.14Å; I153-S157 VanDerWaalsContact CG2-OG 3.31Å; I153-S157 WeakPolarHBondContact CG2-OG 3.24Å; I153-Y176 WeakPolarHBondContact CA-OH 3.46Å; I153-Y176 WeakPolarHBondContact CB-OH 3.31Å; I153-Y176 PolarHBondContact N-OH 3.07Å; I153-Y176 PolarHBondContact O-OH 2.92Å; I153-L180 HydrophobicContact CD1-CD1 4.05Å; I153-L180 HydrophobicContact CG2-CD2 4.14Å; I153-V233 HydrophobicContact CG1-CB 4.41Å; I153-L235 HydrophobicContact CG2-CD1 3.87Å; I153-L235 HydrophobicContact CG2-CG 4.08Å
154	S	87.7	Confident	93.6	Very high	26 Å²	26	37.5 Å²	37.5	18%	0.182	21%	0.207	C	C	.	.			trans	-55.7	138.9	-179.4	176.9	0	0	0	0	111	E152 D156 S157 V233	E152-S154 PolarHBondContact O-N 3.35Å; S154-D156 PolarHBondContact O-N 3.22Å; S154-D156 PolarHBondContact OG-N 2.86Å; S154-S157 WeakPolarHBondContact O-CB 3.47Å; S154-S157 PolarHBondContact O-N 3.23Å; S154-S157 PolarHBondContact O-OG 3.32Å; S154-V233 PolarHBondContact N-O 2.84Å; S154-V233 VanDerWaalsContact N-O 3.11Å
155	S	79.2	Confident	93.6	Very high	114 Å²	114	33.6 Å²	33.6	80%	0.797	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23	176.7	53.1	0	0	0	0	113.4	S157	S155-S157 PolarHBondContact O-N 3Å
156	D	82.8	Confident	93.4	Very high	148 Å²	148	33.9 Å²	33.9	79%	0.791	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.9	177	-59.2	-18.8	0	0	0	111.9	S154	S154-D156 PolarHBondContact O-N 3.22Å; S154-D156 PolarHBondContact OG-N 2.86Å
157	S	85.8	Confident	93.3	Very high	22 Å²	22	33.4 Å²	33.4	15%	0.154	19%	0.191	C	C	.	.	S	Bend	trans	-62.3	144.6	172.1	-61	0	0	0	0	110.6	I153 S154 S155	I153-S157 VanDerWaalsContact CG2-OG 3.31Å; I153-S157 WeakPolarHBondContact CG2-OG 3.24Å; S154-S157 WeakPolarHBondContact O-CB 3.47Å; S154-S157 PolarHBondContact O-N 3.23Å; S154-S157 PolarHBondContact O-OG 3.32Å; S155-S157 PolarHBondContact O-N 3Å
158	R	91.9	Very high	93.1	Very high	74 Å²	74	31.4 Å²	31.4	28%	0.279	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-60.7	158.7	174.7	72.8	-176.2	-144.8	123	1	112.2	Y160	R158-Y160 HydrophobicContact CG-CE2 3.84Å; R158-Y160 PolarHBondContact NE-OH 2.93Å; R158-Y160 VanDerWaalsContact NH2-CD1 3.33Å; R158-Y160 WeakPolarHBondContact O-CD2 3.49Å; R158-Y160 VanDerWaalsContact O-CE2 3.24Å; R158-Y160 WeakPolarHBondContact O-CE2 3.36Å
159	Q	95.8	Very high	93	Very high	78 Å²	78	31.1 Å²	31.1	36%	0.364	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-85.8	157.1	168.1	-67	175.3	-35	0	0	112.3	I179 L180 K182 R200	Q159-I179 PolarHBondContact NE2-O 3.04Å; Q159-L180 CarbonylContact C-O 3.57Å; Q159-L180 WeakPolarHBondContact CA-O 3Å; Q159-L180 WeakPolarHBondContact CB-O 3.39Å; Q159-K182 HydrophobicContact CB-CB 4.39Å; Q159-K182 HydrophobicContact CB-CG 3.45Å; Q159-K182 VanDerWaalsContact CB-CG 3.45Å; Q159-K182 WeakPolarHBondContact O-CE 3.39Å; Q159-R200 VanDerWaalsContact NE2-NH1 3.18Å
160	Y	98	Very high	93	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.7	-177.6	-66	-100.5	0	0	0	112.2	S83 F84 L85 H109 R158 R162 L180 K182 L235	S83-Y160 WeakPolarHBondContact OG-CA 3.37Å; F84-Y160 VanDerWaalsContact C-CD1 3.47Å; L85-Y160 HydrophobicContact CB-CD1 3.66Å; L85-Y160 HydrophobicContact CB-CD2 3.85Å; L85-Y160 HydrophobicContact CB-CE1 3.89Å; L85-Y160 HydrophobicContact CB-CE2 4.1Å; L85-Y160 HydrophobicContact CB-CG 3.65Å; L85-Y160 HydrophobicContact CD1-CE2 4.41Å; L85-Y160 HydrophobicContact CD2-CD2 3.86Å; L85-Y160 HydrophobicContact CD2-CE2 3.83Å; L85-Y160 HydrophobicContact CG-CD2 4.42Å; L85-Y160 HydrophobicContact CG-CE2 4.35Å; H109-Y160 HydrophobicContact CB-CE1 4.28Å; H109-Y160 AromaticContact ND1-CE1 3.78Å; H109-Y160 AromaticContact ND1-CZ 3.69Å; H109-Y160 PolarHBondContact ND1-OH 3.17Å; R158-Y160 HydrophobicContact CG-CE2 3.84Å; R158-Y160 PolarHBondContact NE-OH 2.93Å; R158-Y160 VanDerWaalsContact NH2-CD1 3.33Å; R158-Y160 WeakPolarHBondContact O-CD2 3.49Å; R158-Y160 VanDerWaalsContact O-CE2 3.24Å; R158-Y160 WeakPolarHBondContact O-CE2 3.36Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-L180 PolarHBondContact N-O 3.37Å; Y160-K182 PolarHBondContact O-N 2.79Å; Y160-L235 HydrophobicContact CE2-CD1 3.89Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.39Å
161	D	98.7	Very high	92.8	Very high	30 Å²	30	40.6 Å²	40.6	16%	0.16	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-33	173.3	-57.8	-60.1	0	0	0	110.6	L82 S83 K182 G185 I186	L82-D161 HydrophobicContact CB-CB 4.22Å; L82-D161 HydrophobicContact CD2-CB 3.92Å; L82-D161 HydrophobicContact CG-CB 4.47Å; S83-D161 WeakPolarHBondContact CB-OD2 3.41Å; S83-D161 PolarHBondContact N-OD2 3.35Å; S83-D161 PolarHBondContact O-N 3.16Å; S83-D161 VanDerWaalsContact O-N 3.13Å; S83-D161 PolarHBondContact OG-N 2.93Å; S83-D161 PolarHBondContact OG-OD2 3.15Å; D161-K182 WeakPolarHBondContact OD1-CD 3.14Å; D161-K182 IonicContact OD1-NZ 3.09Å; D161-K182 PolarHBondContact OD1-NZ 2.73Å; D161-K182 IonicContact OD2-NZ 3.98Å; D161-K182 PolarHBondContact OD2-NZ 2.93Å; D161-K182 VanDerWaalsContact OD2-NZ 3.09Å; D161-G185 CarbonylContact O-C 3.46Å; D161-G185 WeakPolarHBondContact O-CA 3.24Å; D161-I186 PolarHBondContact O-N 3.21Å
162	R	98.8	Very high	92.7	Very high	22 Å²	22	45.8 Å²	45.8	8%	0.083	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.7	-174.1	-60	-61.5	-175.3	-89.4	-2.8	110.4	L76 K77 L78 L82 S83 F84 L85 Y160 I186	L76-R162 HydrophobicContact CD2-CB 4.25Å; L76-R162 WeakPolarHBondContact O-CD 3.35Å; L76-R162 PolarHBondContact O-NE 3.48Å; K77-R162 PolarHBondContact O-NE 2.94Å; K77-R162 PolarHBondContact O-NH2 3.19Å; K77-R162 VanDerWaalsContact O-NH2 3.1Å; L78-R162 HydrophobicContact CD2-CB 4.23Å; L78-R162 HydrophobicContact CD2-CG 4.07Å; L82-R162 HydrophobicContact CD1-CG 3.93Å; S83-R162 PolarHBondContact O-N 2.97Å; F84-R162 CarbonylContact C-O 3.57Å; F84-R162 VanDerWaalsContact CA-O 3.27Å; F84-R162 WeakPolarHBondContact CA-O 3.29Å; F84-R162 HydrophobicContact CD2-CB 3.86Å; L85-R162 PolarHBondContact N-O 2.79Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; R162-I186 CarbonylContact C-O 3.47Å; R162-I186 VanDerWaalsContact CA-O 3.31Å; R162-I186 WeakPolarHBondContact CA-O 3.49Å
163	I	98.7	Very high	92.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.5	178	-54.1	179.3	0	0	0	108.9	L76 L85 L87 L180 L181 I186 L187 V188	L76-I163 WeakPolarHBondContact CD2-O 3.48Å; L85-I163 HydrophobicContact CB-CG1 4.21Å; L85-I163 HydrophobicContact CB-CG2 4.39Å; L85-I163 HydrophobicContact CD2-CG2 4.5Å; L85-I163 VanDerWaalsContact O-CA 3.32Å; L85-I163 WeakPolarHBondContact O-CA 3.28Å; L87-I163 HydrophobicContact CD1-CG2 4.01Å; L87-I163 HydrophobicContact CG-CG2 4.28Å; I163-L180 HydrophobicContact CD1-CB 3.63Å; I163-L181 HydrophobicContact CB-CD1 4.34Å; I163-L181 HydrophobicContact CD1-CB 4.04Å; I163-L181 HydrophobicContact CD1-CD1 3.76Å; I163-L181 HydrophobicContact CG1-CD1 3.7Å; I163-I186 PolarHBondContact N-O 3.15Å; I163-L187 HydrophobicContact CB-CB 4.49Å; I163-L187 HydrophobicContact CB-CD1 3.65Å; I163-L187 HydrophobicContact CG2-CD1 3.54Å; I163-L187 CarbonylContact O-C 3.51Å; I163-L187 WeakPolarHBondContact O-CA 3.37Å; I163-V188 PolarHBondContact O-N 3.2Å
164	Y	98.6	Very high	92.8	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.1	167.1	169.4	-112.7	0	0	0	110	Y69 V72 L85 N86 L87 L94 G166 V188	Y69-Y164 HydrophobicContact CE1-CE1 4.48Å; V72-Y164 HydrophobicContact CB-CD2 4.31Å; V72-Y164 HydrophobicContact CB-CE2 4.24Å; V72-Y164 HydrophobicContact CG1-CD1 4.39Å; V72-Y164 HydrophobicContact CG1-CD2 3.41Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.41Å; V72-Y164 HydrophobicContact CG1-CE2 3.78Å; V72-Y164 HydrophobicContact CG1-CG 3.74Å; V72-Y164 HydrophobicContact CG2-CD2 3.83Å; V72-Y164 HydrophobicContact CG2-CE2 3.39Å; L85-Y164 PolarHBondContact O-N 3.28Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.34Å; L87-Y164 PolarHBondContact N-O 2.92Å; L94-Y164 HydrophobicContact CD2-CD1 3.2Å; L94-Y164 HydrophobicContact CD2-CE1 3.47Å; L94-Y164 VanDerWaalsContact CD2-CE1 3.47Å; L94-Y164 HydrophobicContact CD2-CG 3.95Å; Y164-G166 WeakPolarHBondContact OH-CA 3.41Å; Y164-V188 VanDerWaalsContact CA-O 3.3Å; Y164-V188 WeakPolarHBondContact CA-O 3.47Å; Y164-V188 HydrophobicContact CD2-CB 4.35Å; Y164-V188 HydrophobicContact CD2-CG1 4.3Å; Y164-V188 WeakPolarHBondContact CD2-O 3.4Å
165	C	97.6	Very high	93	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.6	168.9	-169.2	0	0	0	0	110.5	L87 A167 V169 V188 M189 P190	L87-C165 HydrophobicContact CB-CB 4.16Å; L87-C165 HydrophobicContact CD1-CB 4.34Å; L87-C165 WeakPolarHBondContact O-CA 3.42Å; C165-A167 PolarHBondContact O-N 3.21Å; C165-A167 PolarHBondContact SG-O 2.97Å; C165-A167 VanDerWaalsContact SG-O 3.4Å; C165-V169 HydrophobicContact CB-CG2 4.19Å; C165-V188 PolarHBondContact N-O 3.19Å; C165-M189 HydrophobicContact CB-CB 3.65Å; C165-P190 WeakPolarHBondContact O-CD 3.32Å
166	G	95	Very high	93.7	Very high	15 Å²	15	48.8 Å²	48.8	16%	0.155	25%	0.246	C	C	.	.			trans	-83.3	14.8	-179.1	0	0	0	0	0	115.2	L87 Y164 F216	L87-G166 PolarHBondContact O-N 2.98Å; Y164-G166 WeakPolarHBondContact OH-CA 3.41Å; G166-F216 VanDerWaalsContact O-CD1 3.24Å; G166-F216 WeakPolarHBondContact O-CD1 3.41Å
167	A	93.7	Very high	94.2	Very high	16 Å²	16	41.8 Å²	41.8	13%	0.132	21%	0.209	C	C	.	.	S	Bend	trans	-142.9	153.1	-179.7	0	0	0	0	0	110.9	C165 V169 P190 A217 L219	C165-A167 PolarHBondContact O-N 3.21Å; C165-A167 PolarHBondContact SG-O 2.97Å; C165-A167 VanDerWaalsContact SG-O 3.4Å; A167-V169 PolarHBondContact O-N 3.3Å; A167-P190 WeakPolarHBondContact O-CG 3.37Å; A167-A217 CarbonylContact C-O 3.54Å; A167-A217 WeakPolarHBondContact CA-O 3.35Å; A167-A217 WeakPolarHBondContact CB-O 3.44Å; A167-L219 HydrophobicContact CB-CD2 3.65Å; A167-L219 HydrophobicContact CB-CG 3.81Å
168	G	93.8	Very high	94.6	Very high	14 Å²	14	41.7 Å²	41.7	14%	0.144	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-58.2	118.6	-179.6	0	0	0	0	0	112.3	A217 L219	G168-A217 PolarHBondContact N-O 3.12Å; G168-L219 PolarHBondContact O-N 3.36Å
169	V	93.9	Very high	94.7	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-94.9	125.7	178.3	-176.2	0	0	0	0	109.3	C165 A167 H173 M177 M189 P190 L219	C165-V169 HydrophobicContact CB-CG2 4.19Å; A167-V169 PolarHBondContact O-N 3.3Å; V169-H173 HydrophobicContact CG1-CB 4.09Å; V169-M177 HydrophobicContact CG1-CG 4.29Å; V169-M177 HydrophobicContact CG2-CE 4.47Å; V169-M189 HydrophobicContact CB-SD 4.08Å; V169-M189 HydrophobicContact CG1-CE 4.27Å; V169-M189 HydrophobicContact CG1-SD 4.07Å; V169-M189 HydrophobicContact CG2-CB 4.07Å; V169-M189 HydrophobicContact CG2-CG 4.25Å; V169-M189 HydrophobicContact CG2-SD 3.75Å; V169-P190 PolarHBondContact N-O 2.87Å; V169-L219 HydrophobicContact CG2-CD1 3.82Å
170	Q	91.9	Very high	94.7	Very high	93 Å²	93	40.4 Å²	40.4	44%	0.435	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-75	148.2	170.2	-65.3	-176.2	2.1	0	0	110.3	D172 H173 E174	Q170-D172 PolarHBondContact O-N 3.15Å; Q170-D172 VanDerWaalsContact O-N 3.13Å; Q170-H173 PolarHBondContact O-N 3.21Å; Q170-E174 PolarHBondContact O-N 3.09Å
171	K	89.4	Confident	94.7	Very high	120 Å²	120	40.4 Å²	40.4	52%	0.522	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-53.6	-37.3	-176.5	-159.4	-179	-156.1	126.5	0	113.5	H173 E174 E192	K171-H173 PolarHBondContact O-N 2.79Å; K171-E174 VanDerWaalsContact O-CB 3.23Å; K171-E174 WeakPolarHBondContact O-CB 3.31Å; K171-E174 PolarHBondContact O-N 3.43Å; K171-E174 VanDerWaalsContact O-N 3.07Å; K171-E192 IonicContact NZ-OE1 3.07Å; K171-E192 PolarHBondContact NZ-OE1 3.25Å; K171-E192 IonicContact NZ-OE2 2.76Å
172	D	91.2	Very high	94.6	Very high	138 Å²	138	42 Å²	42	74%	0.738	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-63.5	-23.7	179.4	-63.4	-11.8	0	0	0	113.1	Q170	Q170-D172 PolarHBondContact O-N 3.15Å; Q170-D172 VanDerWaalsContact O-N 3.13Å
173	H	92.2	Very high	94.6	Very high	44 Å²	44	44 Å²	44	20%	0.204	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-97.2	-2.3	177.8	-60.9	142	0	0	0	113.8	L151 V169 Q170 K171 N175 Y176 M177 Q221	L151-H173 HydrophobicContact CD2-CB 3.9Å; V169-H173 HydrophobicContact CG1-CB 4.09Å; Q170-H173 PolarHBondContact O-N 3.21Å; K171-H173 PolarHBondContact O-N 2.79Å; H173-N175 VanDerWaalsContact C-N 3.31Å; H173-N175 PolarHBondContact O-N 2.91Å; H173-Y176 WeakPolarHBondContact O-CB 3.27Å; H173-Y176 PolarHBondContact O-N 3.12Å; H173-M177 PolarHBondContact O-N 3.33Å; H173-Q221 PolarHBondContact CE1-NE2 3Å; H173-Q221 VanDerWaalsContact CE1-NE2 3.31Å
174	E	93.5	Very high	94.5	Very high	33 Å²	33	46.4 Å²	46.4	15%	0.154	25%	0.25	C	C	.	.	H	α-helix	trans	-57.4	-45.4	179.5	-177.9	-176.2	162.4	0	0	111.6	Q170 K171 Y176 M177 K178 M189 I191 I198	Q170-E174 PolarHBondContact O-N 3.09Å; K171-E174 VanDerWaalsContact O-CB 3.23Å; K171-E174 WeakPolarHBondContact O-CB 3.31Å; K171-E174 PolarHBondContact O-N 3.43Å; K171-E174 VanDerWaalsContact O-N 3.07Å; E174-Y176 VanDerWaalsContact C-N 3.31Å; E174-Y176 PolarHBondContact O-N 3.09Å; E174-M177 PolarHBondContact O-N 3.43Å; E174-K178 HydrophobicContact CG-CD 4.33Å; E174-K178 WeakPolarHBondContact O-CG 3.08Å; E174-K178 PolarHBondContact O-N 2.94Å; E174-K178 WeakPolarHBondContact OE1-CE 3.33Å; E174-K178 IonicContact OE1-NZ 2.61Å; E174-K178 PolarHBondContact OE1-NZ 3.13Å; E174-M189 HydrophobicContact CB-CE 4.22Å; E174-M189 HydrophobicContact CG-CE 3.71Å; E174-I191 HydrophobicContact CB-CD1 4.06Å; E174-I191 HydrophobicContact CG-CD1 4.1Å; E174-I191 WeakPolarHBondContact OE2-CD1 3.34Å; E174-I198 HydrophobicContact CG-CD1 4.45Å
175	N	93.1	Very high	94.5	Very high	105 Å²	105	46.2 Å²	46.2	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-65.6	-35.1	-179.6	-71.7	-30.1	0	0	0	112.4	H173 K178 I179	H173-N175 VanDerWaalsContact C-N 3.31Å; H173-N175 PolarHBondContact O-N 2.91Å; N175-K178 PolarHBondContact O-N 3.42Å; N175-I179 WeakPolarHBondContact O-CD1 3.32Å; N175-I179 WeakPolarHBondContact O-CG1 3.48Å; N175-I179 PolarHBondContact O-N 2.95Å
176	Y	92.9	Very high	94.6	Very high	64 Å²	64	46.6 Å²	46.6	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-47.1	176	177.8	-91.2	0	0	0	110.7	C150 L151 E152 I153 H173 E174 K178 I179 L180	C150-Y176 WeakPolarHBondContact O-CE1 3.38Å; L151-Y176 HydrophobicContact CD2-CD1 4.18Å; L151-Y176 PolarHBondContact O-OH 3.04Å; E152-Y176 PolarHBondContact N-OH 3.22Å; I153-Y176 WeakPolarHBondContact CA-OH 3.46Å; I153-Y176 WeakPolarHBondContact CB-OH 3.31Å; I153-Y176 PolarHBondContact N-OH 3.07Å; I153-Y176 PolarHBondContact O-OH 2.92Å; H173-Y176 WeakPolarHBondContact O-CB 3.27Å; H173-Y176 PolarHBondContact O-N 3.12Å; E174-Y176 VanDerWaalsContact C-N 3.31Å; E174-Y176 PolarHBondContact O-N 3.09Å; Y176-K178 VanDerWaalsContact C-N 3.33Å; Y176-K178 PolarHBondContact O-N 3.23Å; Y176-I179 PolarHBondContact O-N 2.88Å; Y176-L180 HydrophobicContact CE1-CD1 4.46Å
177	M	94.1	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-37.9	177.4	-59.4	-52.4	-175.6	0	0	112.7	L87 L151 V169 H173 E174 I179 L180 L187 M189 L219	L87-M177 HydrophobicContact CD1-CE 4.07Å; L87-M177 HydrophobicContact CD1-SD 3.44Å; L87-M177 WeakPolarHBondContact CD1-SD 3.4Å; L151-M177 HydrophobicContact CD2-CE 3.57Å; V169-M177 HydrophobicContact CG1-CG 4.29Å; V169-M177 HydrophobicContact CG2-CE 4.47Å; H173-M177 PolarHBondContact O-N 3.33Å; E174-M177 PolarHBondContact O-N 3.43Å; M177-I179 VanDerWaalsContact C-N 3.33Å; M177-I179 PolarHBondContact O-N 3.43Å; M177-L180 PolarHBondContact O-N 3.49Å; M177-L187 HydrophobicContact CB-CD2 3.89Å; M177-M189 HydrophobicContact CB-SD 4Å; M177-M189 HydrophobicContact CG-SD 4.04Å; M177-L219 HydrophobicContact CE-CD1 3.37Å
178	K	94.5	Very high	95	Very high	21 Å²	21	45.1 Å²	45.1	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-38.4	177.6	-81	177.8	-179.9	170.7	0	112.8	E174 N175 Y176 L180 L181 L187 W206	E174-K178 HydrophobicContact CG-CD 4.33Å; E174-K178 WeakPolarHBondContact O-CG 3.08Å; E174-K178 PolarHBondContact O-N 2.94Å; E174-K178 WeakPolarHBondContact OE1-CE 3.33Å; E174-K178 IonicContact OE1-NZ 2.61Å; E174-K178 PolarHBondContact OE1-NZ 3.13Å; N175-K178 PolarHBondContact O-N 3.42Å; Y176-K178 VanDerWaalsContact C-N 3.33Å; Y176-K178 PolarHBondContact O-N 3.23Å; K178-L180 PolarHBondContact O-N 3.48Å; K178-L181 WeakPolarHBondContact O-CB 3.39Å; K178-L181 PolarHBondContact O-N 2.88Å; K178-L187 HydrophobicContact CG-CD2 4.42Å; K178-W206 HydrophobicContact CB-CE3 4.49Å; K178-W206 HydrophobicContact CB-CH2 3.48Å; K178-W206 VanDerWaalsContact CB-CH2 3.48Å; K178-W206 HydrophobicContact CB-CZ2 3.81Å; K178-W206 HydrophobicContact CB-CZ3 3.83Å; K178-W206 HydrophobicContact CD-CD2 3.89Å; K178-W206 HydrophobicContact CD-CE3 4.03Å; K178-W206 HydrophobicContact CD-CG 4.4Å; K178-W206 HydrophobicContact CD-CH2 4.32Å; K178-W206 HydrophobicContact CD-CZ2 4.21Å; K178-W206 HydrophobicContact CD-CZ3 4.21Å; K178-W206 HydrophobicContact CG-CD2 4.32Å; K178-W206 HydrophobicContact CG-CE3 3.98Å; K178-W206 HydrophobicContact CG-CH2 3.9Å; K178-W206 HydrophobicContact CG-CZ2 4.25Å; K178-W206 HydrophobicContact CG-CZ3 3.72Å; K178-W206 VanDerWaalsContact O-CH2 3.27Å; K178-W206 WeakPolarHBondContact O-CH2 3.41Å
179	I	93.6	Very high	95.1	Very high	112 Å²	112	44.5 Å²	44.5	57%	0.574	23%	0.231	S	C	*	.	H	α-helix	trans	-63	-29	-176.7	-69.7	161.4	0	0	0	112.2	Q159 N175 Y176 M177 L181	Q159-I179 PolarHBondContact NE2-O 3.04Å; N175-I179 WeakPolarHBondContact O-CD1 3.32Å; N175-I179 WeakPolarHBondContact O-CG1 3.48Å; N175-I179 PolarHBondContact O-N 2.95Å; Y176-I179 PolarHBondContact O-N 2.88Å; M177-I179 VanDerWaalsContact C-N 3.33Å; M177-I179 PolarHBondContact O-N 3.43Å; I179-L181 PolarHBondContact O-N 2.95Å
180	L	95.4	Very high	95.2	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.063	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.7	176.2	-58	175.5	0	0	0	113.1	L85 I153 Q159 Y160 I163 Y176 M177 K178	L85-L180 HydrophobicContact CD2-CD1 4.13Å; I153-L180 HydrophobicContact CD1-CD1 4.05Å; I153-L180 HydrophobicContact CG2-CD2 4.14Å; Q159-L180 CarbonylContact C-O 3.57Å; Q159-L180 WeakPolarHBondContact CA-O 3Å; Q159-L180 WeakPolarHBondContact CB-O 3.39Å; Y160-L180 PolarHBondContact N-O 3.37Å; I163-L180 HydrophobicContact CD1-CB 3.63Å; Y176-L180 HydrophobicContact CE1-CD1 4.46Å; M177-L180 PolarHBondContact O-N 3.49Å; K178-L180 PolarHBondContact O-N 3.48Å
181	L	97.4	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.5	-174.6	-163.4	69.1	0	0	0	111.9	I163 K178 I179 G185 L187 R200 W206	I163-L181 HydrophobicContact CB-CD1 4.34Å; I163-L181 HydrophobicContact CD1-CB 4.04Å; I163-L181 HydrophobicContact CD1-CD1 3.76Å; I163-L181 HydrophobicContact CG1-CD1 3.7Å; K178-L181 WeakPolarHBondContact O-CB 3.39Å; K178-L181 PolarHBondContact O-N 2.88Å; I179-L181 PolarHBondContact O-N 2.95Å; L181-G185 WeakPolarHBondContact CD2-O 3.28Å; L181-L187 HydrophobicContact CD1-CB 4.31Å; L181-L187 HydrophobicContact CD2-CB 3.76Å; L181-R200 HydrophobicContact CD2-CB 4.07Å; L181-R200 WeakPolarHBondContact O-CD 3.3Å; L181-R200 PolarHBondContact O-NH1 3.03Å; L181-W206 HydrophobicContact CB-CZ3 4.46Å; L181-W206 HydrophobicContact CD2-CZ3 4Å
182	K	97.6	Very high	95.4	Very high	65 Å²	65	41.1 Å²	41.1	28%	0.283	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	159.2	172.8	-68.7	175.1	-172.5	172.9	0	111.5	S83 Q159 Y160 D161 G184 G185 R200	S83-K182 PolarHBondContact OG-NZ 3.06Å; Q159-K182 HydrophobicContact CB-CB 4.39Å; Q159-K182 HydrophobicContact CB-CG 3.45Å; Q159-K182 VanDerWaalsContact CB-CG 3.45Å; Q159-K182 WeakPolarHBondContact O-CE 3.39Å; Y160-K182 PolarHBondContact O-N 2.79Å; D161-K182 WeakPolarHBondContact OD1-CD 3.14Å; D161-K182 IonicContact OD1-NZ 3.09Å; D161-K182 PolarHBondContact OD1-NZ 2.73Å; D161-K182 IonicContact OD2-NZ 3.98Å; D161-K182 PolarHBondContact OD2-NZ 2.93Å; D161-K182 VanDerWaalsContact OD2-NZ 3.09Å; K182-G184 PolarHBondContact O-N 3.24Å; K182-G185 WeakPolarHBondContact O-CA 3.24Å; K182-G185 PolarHBondContact O-N 3.11Å; K182-R200 WeakPolarHBondContact O-CB 2.97Å; K182-R200 WeakPolarHBondContact O-CD 3.45Å
183	V	97.9	Very high	95.4	Very high	64 Å²	64	39.9 Å²	39.9	39%	0.388	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	133.2	165.7	-179.4	0	0	0	0	109.1	R200	V183-R200 HydrophobicContact CG2-CG 4.37Å
184	G	97.8	Very high	95.5	Very high	49 Å²	49	40.7 Å²	40.7	51%	0.505	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-2.9	-169.2	0	0	0	0	0	114.3	K182 R200	K182-G184 PolarHBondContact O-N 3.24Å; G184-R200 WeakPolarHBondContact CA-O 3.25Å; G184-R200 PolarHBondContact N-O 3.25Å
185	G	98.4	Very high	95.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	163	179.4	0	0	0	0	0	113.5	D161 L181 K182 T199 R200	D161-G185 CarbonylContact O-C 3.46Å; D161-G185 WeakPolarHBondContact O-CA 3.24Å; L181-G185 WeakPolarHBondContact CD2-O 3.28Å; K182-G185 WeakPolarHBondContact O-CA 3.24Å; K182-G185 PolarHBondContact O-N 3.11Å; G185-T199 WeakPolarHBondContact O-CA 3.21Å; G185-R200 PolarHBondContact O-N 3.14Å
186	I	98.8	Very high	95.9	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.9	178.1	-56.4	172.8	0	0	0	110.2	K77 D161 R162 I163 V188 Q197 I198 T199	K77-I186 HydrophobicContact CB-CD1 3.98Å; K77-I186 HydrophobicContact CD-CD1 3.92Å; K77-I186 HydrophobicContact CG-CD1 4.13Å; D161-I186 PolarHBondContact O-N 3.21Å; R162-I186 CarbonylContact C-O 3.47Å; R162-I186 VanDerWaalsContact CA-O 3.31Å; R162-I186 WeakPolarHBondContact CA-O 3.49Å; I163-I186 PolarHBondContact N-O 3.15Å; I186-V188 HydrophobicContact CG2-CG2 4.2Å; I186-Q197 HydrophobicContact CG2-CG 3.65Å; I186-I198 WeakPolarHBondContact CA-O 3.19Å; I186-T199 HydrophobicContact CG1-CG2 4.5Å
187	L	98.6	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.5	172.3	166.9	64	0	0	0	108.8	I163 M177 K178 L181 M189 Q197 I198	I163-L187 HydrophobicContact CB-CB 4.49Å; I163-L187 HydrophobicContact CB-CD1 3.65Å; I163-L187 HydrophobicContact CG2-CD1 3.54Å; I163-L187 CarbonylContact O-C 3.51Å; I163-L187 WeakPolarHBondContact O-CA 3.37Å; M177-L187 HydrophobicContact CB-CD2 3.89Å; K178-L187 HydrophobicContact CG-CD2 4.42Å; L181-L187 HydrophobicContact CD1-CB 4.31Å; L181-L187 HydrophobicContact CD2-CB 3.76Å; L187-M189 HydrophobicContact CD1-CB 4.43Å; L187-M189 HydrophobicContact CD1-CG 4.48Å; L187-M189 HydrophobicContact CD1-SD 4.17Å; L187-M189 HydrophobicContact CD2-CE 4.09Å; L187-M189 HydrophobicContact CD2-SD 3.79Å; L187-M189 HydrophobicContact CG-CG 4.34Å; L187-M189 HydrophobicContact CG-SD 4.11Å; L187-Q197 CarbonylContact O-C 3.46Å; L187-Q197 WeakPolarHBondContact O-CA 3.42Å; L187-I198 HydrophobicContact CB-CB 4.34Å; L187-I198 HydrophobicContact CD2-CD1 4.47Å; L187-I198 PolarHBondContact N-O 2.72Å; L187-I198 PolarHBondContact O-N 2.97Å
188	V	98.6	Very high	96.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.1	172.8	-179.5	0	0	0	0	108.1	V72 A75 L76 I163 Y164 C165 I186 L195 T196 Q197 I211	V72-V188 HydrophobicContact CG2-CG1 4.08Å; A75-V188 HydrophobicContact CB-CG2 3.88Å; L76-V188 HydrophobicContact CD2-CB 4.2Å; L76-V188 HydrophobicContact CD2-CG2 3.73Å; L76-V188 HydrophobicContact CG-CG2 3.97Å; I163-V188 PolarHBondContact O-N 3.2Å; Y164-V188 VanDerWaalsContact CA-O 3.3Å; Y164-V188 WeakPolarHBondContact CA-O 3.47Å; Y164-V188 HydrophobicContact CD2-CB 4.35Å; Y164-V188 HydrophobicContact CD2-CG1 4.3Å; Y164-V188 WeakPolarHBondContact CD2-O 3.4Å; C165-V188 PolarHBondContact N-O 3.19Å; I186-V188 HydrophobicContact CG2-CG2 4.2Å; V188-L195 HydrophobicContact CG1-CD1 3.97Å; V188-L195 HydrophobicContact CG1-CD2 4.38Å; V188-L195 HydrophobicContact CG1-CG 4.08Å; V188-T196 WeakPolarHBondContact CA-O 3.23Å; V188-Q197 HydrophobicContact CG2-CG 4.47Å; V188-I211 HydrophobicContact CG1-CD1 4.16Å
189	M	97.3	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.4	178.7	65.3	-173.8	-172.4	0	0	111.7	C165 V169 E174 M177 L187 I191 T196 I198	C165-M189 HydrophobicContact CB-CB 3.65Å; V169-M189 HydrophobicContact CB-SD 4.08Å; V169-M189 HydrophobicContact CG1-CE 4.27Å; V169-M189 HydrophobicContact CG1-SD 4.07Å; V169-M189 HydrophobicContact CG2-CB 4.07Å; V169-M189 HydrophobicContact CG2-CG 4.25Å; V169-M189 HydrophobicContact CG2-SD 3.75Å; E174-M189 HydrophobicContact CB-CE 4.22Å; E174-M189 HydrophobicContact CG-CE 3.71Å; M177-M189 HydrophobicContact CB-SD 4Å; M177-M189 HydrophobicContact CG-SD 4.04Å; L187-M189 HydrophobicContact CD1-CB 4.43Å; L187-M189 HydrophobicContact CD1-CG 4.48Å; L187-M189 HydrophobicContact CD1-SD 4.17Å; L187-M189 HydrophobicContact CD2-CE 4.09Å; L187-M189 HydrophobicContact CD2-SD 3.79Å; L187-M189 HydrophobicContact CG-CG 4.34Å; L187-M189 HydrophobicContact CG-SD 4.11Å; M189-I191 HydrophobicContact CE-CD1 4.42Å; M189-T196 PolarHBondContact N-O 3.04Å; M189-T196 VanDerWaalsContact N-O 3.08Å; M189-T196 PolarHBondContact O-N 3.47Å; M189-I198 HydrophobicContact CE-CD1 3.8Å
190	P	96.2	Very high	96.8	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.019	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.2	170.4	30.7	-32.5	0	0	0	110.6	C165 A167 V169 Q194 V214 F216	C165-P190 WeakPolarHBondContact O-CD 3.32Å; A167-P190 WeakPolarHBondContact O-CG 3.37Å; V169-P190 PolarHBondContact N-O 2.87Å; P190-Q194 CarbonylContact C-O 3.57Å; P190-Q194 VanDerWaalsContact CA-O 3.27Å; P190-Q194 WeakPolarHBondContact CA-O 3.38Å; P190-V214 HydrophobicContact CB-CG2 3.85Å; P190-F216 HydrophobicContact CB-CB 4.32Å; P190-F216 HydrophobicContact CB-CD2 3.43Å; P190-F216 VanDerWaalsContact CB-CD2 3.43Å; P190-F216 HydrophobicContact CB-CE2 3.84Å; P190-F216 HydrophobicContact CB-CG 4.02Å; P190-F216 HydrophobicContact CG-CB 4.01Å; P190-F216 HydrophobicContact CG-CD1 4.2Å; P190-F216 HydrophobicContact CG-CD2 3.56Å; P190-F216 HydrophobicContact CG-CE2 3.93Å; P190-F216 HydrophobicContact CG-CG 3.69Å; P190-F216 HydrophobicContact CG-CZ 4.41Å
191	I	94.4	Very high	96.8	Very high	18 Å²	18	31.6 Å²	31.6	9%	0.092	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133	174.5	-172.8	164.5	0	0	0	108.9	E174 M189 D193 Q194	E174-I191 HydrophobicContact CB-CD1 4.06Å; E174-I191 HydrophobicContact CG-CD1 4.1Å; E174-I191 WeakPolarHBondContact OE2-CD1 3.34Å; M189-I191 HydrophobicContact CE-CD1 4.42Å; I191-D193 VanDerWaalsContact C-N 3.27Å; I191-D193 PolarHBondContact O-N 3.07Å; I191-Q194 PolarHBondContact N-O 3.15Å; I191-Q194 PolarHBondContact O-N 2.96Å; I191-Q194 VanDerWaalsContact O-O 3.11Å
192	E	89.7	Confident	96.8	Very high	128 Å²	128	32.3 Å²	32.3	60%	0.598	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	46	-179	-62.7	175.6	-176.9	0	0	112.8	K171 Q194	K171-E192 IonicContact NZ-OE1 3.07Å; K171-E192 PolarHBondContact NZ-OE1 3.25Å; K171-E192 IonicContact NZ-OE2 2.76Å; E192-Q194 PolarHBondContact O-N 3.32Å; E192-Q194 VanDerWaalsContact O-N 3.14Å
193	D	91.1	Very high	96.5	Very high	111 Å²	111	35.9 Å²	35.9	59%	0.594	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	20.8	-177.8	-60	-39.9	0	0	0	115.1	I191 A213 V214	I191-D193 VanDerWaalsContact C-N 3.27Å; I191-D193 PolarHBondContact O-N 3.07Å; D193-A213 WeakPolarHBondContact O-CA 3.4Å; D193-V214 CarbonylContact C-O 3.6Å; D193-V214 WeakPolarHBondContact CA-O 3.22Å; D193-V214 WeakPolarHBondContact CB-O 3.49Å; D193-V214 PolarHBondContact O-N 3.08Å; D193-V214 VanDerWaalsContact O-O 3.06Å
194	Q	94.9	Very high	96.3	Very high	62 Å²	62	38.6 Å²	38.6	29%	0.29	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.9	173.2	-62	-61.3	-52.3	0	0	110.4	P190 I191 E192 T196	P190-Q194 CarbonylContact C-O 3.57Å; P190-Q194 VanDerWaalsContact CA-O 3.27Å; P190-Q194 WeakPolarHBondContact CA-O 3.38Å; I191-Q194 PolarHBondContact N-O 3.15Å; I191-Q194 PolarHBondContact O-N 2.96Å; I191-Q194 VanDerWaalsContact O-O 3.11Å; E192-Q194 PolarHBondContact O-N 3.32Å; E192-Q194 VanDerWaalsContact O-N 3.14Å; Q194-T196 PolarHBondContact O-N 3.07Å
195	L	96.8	Very high	96.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.3	169	-170.3	71.6	0	0	0	107.6	V72 V188 I211 L212 V214 F216	V72-L195 HydrophobicContact CG2-CD1 4.42Å; V72-L195 HydrophobicContact CG2-CD2 3.96Å; V188-L195 HydrophobicContact CG1-CD1 3.97Å; V188-L195 HydrophobicContact CG1-CD2 4.38Å; V188-L195 HydrophobicContact CG1-CG 4.08Å; L195-I211 HydrophobicContact CD2-CD1 4.09Å; L195-I211 HydrophobicContact CG-CD1 4.14Å; L195-I211 WeakPolarHBondContact O-CB 3.41Å; L195-I211 WeakPolarHBondContact O-CG1 3.38Å; L195-I211 PolarHBondContact O-N 2.93Å; L195-L212 HydrophobicContact CB-CD2 4.35Å; L195-L212 HydrophobicContact CB-CG 4.38Å; L195-L212 HydrophobicContact CD2-CD2 3.81Å; L195-L212 PolarHBondContact N-O 3.35Å; L195-V214 HydrophobicContact CB-CG1 3.76Å; L195-V214 HydrophobicContact CB-CG2 3.97Å; L195-V214 VanDerWaalsContact N-CG2 3.33Å; L195-F216 HydrophobicContact CD1-CE2 4.36Å
196	T	97.8	Very high	96.1	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.4	-172.8	-57.7	0	0	0	0	110.2	V188 M189 Q194 I198 K209 N210	V188-T196 WeakPolarHBondContact CA-O 3.23Å; M189-T196 PolarHBondContact N-O 3.04Å; M189-T196 VanDerWaalsContact N-O 3.08Å; M189-T196 PolarHBondContact O-N 3.47Å; Q194-T196 PolarHBondContact O-N 3.07Å; T196-I198 HydrophobicContact CG2-CG1 4Å; T196-K209 WeakPolarHBondContact CA-O 3.41Å; T196-N210 PolarHBondContact OG1-OD1 3.3Å
197	Q	98.4	Very high	96.1	Very high	18 Å²	18	48 Å²	48	8%	0.084	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.6	167.2	-178.7	178.7	-3.8	0	0	109.1	A75 I186 L187 V188 S208 K209 I211	A75-Q197 PolarHBondContact O-NE2 2.83Å; A75-Q197 VanDerWaalsContact O-NE2 3.13Å; I186-Q197 HydrophobicContact CG2-CG 3.65Å; L187-Q197 CarbonylContact O-C 3.46Å; L187-Q197 WeakPolarHBondContact O-CA 3.42Å; V188-Q197 HydrophobicContact CG2-CG 4.47Å; Q197-S208 CarbonylContact O-C 3.51Å; Q197-S208 WeakPolarHBondContact O-CA 3.3Å; Q197-K209 PolarHBondContact N-O 3.04Å; Q197-K209 PolarHBondContact O-N 3.37Å; Q197-I211 HydrophobicContact CB-CD1 4.11Å; Q197-I211 HydrophobicContact CB-CG1 4.25Å
198	I	98.3	Very high	96	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.6	176.1	-55.8	-177.3	0	0	0	108.3	E174 I186 L187 M189 T196 W206 E207	E174-I198 HydrophobicContact CG-CD1 4.45Å; I186-I198 WeakPolarHBondContact CA-O 3.19Å; L187-I198 HydrophobicContact CB-CB 4.34Å; L187-I198 HydrophobicContact CD2-CD1 4.47Å; L187-I198 PolarHBondContact N-O 2.72Å; L187-I198 PolarHBondContact O-N 2.97Å; M189-I198 HydrophobicContact CE-CD1 3.8Å; T196-I198 HydrophobicContact CG2-CG1 4Å; I198-W206 HydrophobicContact CG2-CB 4.46Å; I198-W206 HydrophobicContact CG2-CE3 3.79Å; I198-E207 CarbonylContact C-O 3.57Å; I198-E207 VanDerWaalsContact CA-O 3.32Å; I198-E207 WeakPolarHBondContact CA-O 3.38Å
199	T	98.4	Very high	95.9	Very high	32 Å²	32	57.7 Å²	57.7	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.9	175.5	-55	0	0	0	0	109.4	G185 I186 T201 W206 E207	G185-T199 WeakPolarHBondContact O-CA 3.21Å; I186-T199 HydrophobicContact CG1-CG2 4.5Å; T199-T201 HydrophobicContact CG2-CG2 4.41Å; T199-T201 PolarHBondContact O-N 2.77Å; T199-W206 WeakPolarHBondContact O-CA 3.47Å; T199-E207 PolarHBondContact N-O 3.33Å; T199-E207 PolarHBondContact O-N 3.07Å
200	R	98.2	Very high	95.9	Very high	21 Å²	21	62.5 Å²	62.5	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	104.5	173.1	-168.2	174.6	-173.3	180	-1.9	109.2	Q159 L181 K182 V183 G184 G185 G202 Q203 W206	Q159-R200 VanDerWaalsContact NE2-NH1 3.18Å; L181-R200 HydrophobicContact CD2-CB 4.07Å; L181-R200 WeakPolarHBondContact O-CD 3.3Å; L181-R200 PolarHBondContact O-NH1 3.03Å; K182-R200 WeakPolarHBondContact O-CB 2.97Å; K182-R200 WeakPolarHBondContact O-CD 3.45Å; V183-R200 HydrophobicContact CG2-CG 4.37Å; G184-R200 WeakPolarHBondContact CA-O 3.25Å; G184-R200 PolarHBondContact N-O 3.25Å; G185-R200 PolarHBondContact O-N 3.14Å; R200-G202 VanDerWaalsContact CG-O 3.25Å; R200-G202 WeakPolarHBondContact CG-O 3.3Å; R200-G202 PolarHBondContact NE-O 2.99Å; R200-Q203 PolarHBondContact NH2-O 2.81Å; R200-W206 HydrophobicContact CB-CD2 4.49Å; R200-W206 HydrophobicContact CB-CE3 3.68Å; R200-W206 HydrophobicContact CB-CH2 3.88Å; R200-W206 HydrophobicContact CB-CZ3 3.37Å; R200-W206 HydrophobicContact CG-CD2 4.24Å; R200-W206 HydrophobicContact CG-CE3 3.85Å; R200-W206 HydrophobicContact CG-CH2 3.49Å; R200-W206 VanDerWaalsContact CG-CH2 3.49Å; R200-W206 HydrophobicContact CG-CZ2 3.89Å; R200-W206 HydrophobicContact CG-CZ3 3.5Å
201	T	97.4	Very high	95.8	Very high	77 Å²	77	64.5 Å²	64.5	47%	0.472	34%	0.341	S	S	.	.			trans	-86.3	-17.8	-176.2	56.7	0	0	0	0	113	T199 S205 E207	T199-T201 HydrophobicContact CG2-CG2 4.41Å; T199-T201 PolarHBondContact O-N 2.77Å; T201-S205 PolarHBondContact N-O 2.77Å; T201-S205 WeakPolarHBondContact OG1-CB 3.25Å; T201-S205 PolarHBondContact OG1-O 2.68Å; T201-S205 PolarHBondContact OG1-OG 2.71Å; T201-E207 HydrophobicContact CG2-CB 4.1Å
202	G	95.8	Very high	95.8	Very high	15 Å²	15	65.7 Å²	65.7	16%	0.155	35%	0.347	C	S	.	.	S	Bend	trans	-165	-169.2	-178.5	0	0	0	0	0	112	R200 C204 S205	R200-G202 VanDerWaalsContact CG-O 3.25Å; R200-G202 WeakPolarHBondContact CG-O 3.3Å; R200-G202 PolarHBondContact NE-O 2.99Å; G202-C204 VanDerWaalsContact C-N 3.33Å; G202-C204 PolarHBondContact O-N 2.87Å; G202-S205 VanDerWaalsContact CA-OG 3.24Å; G202-S205 WeakPolarHBondContact CA-OG 3.5Å; G202-S205 PolarHBondContact N-O 3Å; G202-S205 PolarHBondContact N-OG 2.65Å
203	Q	92	Very high	96	Very high	141 Å²	141	62.9 Å²	62.9	66%	0.659	35%	0.346	S	S	*	.	S	Bend	trans	-62	-40.7	-176.1	-68.6	-59.9	-23.3	0	0	112.7	R200	R200-Q203 PolarHBondContact NH2-O 2.81Å
204	C	92.8	Very high	96	Very high	121 Å²	121	58.1 Å²	58.1	82%	0.818	32%	0.321	S	S	*	.	S	Bend	trans	-126.1	13.2	179.4	-58.1	0	0	0	0	113.1	G202	G202-C204 VanDerWaalsContact C-N 3.33Å; G202-C204 PolarHBondContact O-N 2.87Å
205	S	96.1	Very high	95.8	Very high	53 Å²	53	59.2 Å²	59.2	37%	0.371	34%	0.335	S	S	.	.			trans	-115.2	139.6	-176.3	63.5	0	0	0	0	111.8	T201 G202	T201-S205 PolarHBondContact N-O 2.77Å; T201-S205 WeakPolarHBondContact OG1-CB 3.25Å; T201-S205 PolarHBondContact OG1-O 2.68Å; T201-S205 PolarHBondContact OG1-OG 2.71Å; G202-S205 VanDerWaalsContact CA-OG 3.24Å; G202-S205 WeakPolarHBondContact CA-OG 3.5Å; G202-S205 PolarHBondContact N-O 3Å; G202-S205 PolarHBondContact N-OG 2.65Å
206	W	97.4	Very high	95.5	Very high	76 Å²	76	60.4 Å²	60.4	29%	0.288	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.6	-171.8	-53.5	88.6	0	0	0	109.9	K178 L181 I198 T199 R200	K178-W206 HydrophobicContact CB-CE3 4.49Å; K178-W206 HydrophobicContact CB-CH2 3.48Å; K178-W206 VanDerWaalsContact CB-CH2 3.48Å; K178-W206 HydrophobicContact CB-CZ2 3.81Å; K178-W206 HydrophobicContact CB-CZ3 3.83Å; K178-W206 HydrophobicContact CD-CD2 3.89Å; K178-W206 HydrophobicContact CD-CE3 4.03Å; K178-W206 HydrophobicContact CD-CG 4.4Å; K178-W206 HydrophobicContact CD-CH2 4.32Å; K178-W206 HydrophobicContact CD-CZ2 4.21Å; K178-W206 HydrophobicContact CD-CZ3 4.21Å; K178-W206 HydrophobicContact CG-CD2 4.32Å; K178-W206 HydrophobicContact CG-CE3 3.98Å; K178-W206 HydrophobicContact CG-CH2 3.9Å; K178-W206 HydrophobicContact CG-CZ2 4.25Å; K178-W206 HydrophobicContact CG-CZ3 3.72Å; K178-W206 VanDerWaalsContact O-CH2 3.27Å; K178-W206 WeakPolarHBondContact O-CH2 3.41Å; L181-W206 HydrophobicContact CB-CZ3 4.46Å; L181-W206 HydrophobicContact CD2-CZ3 4Å; I198-W206 HydrophobicContact CG2-CB 4.46Å; I198-W206 HydrophobicContact CG2-CE3 3.79Å; T199-W206 WeakPolarHBondContact O-CA 3.47Å; R200-W206 HydrophobicContact CB-CD2 4.49Å; R200-W206 HydrophobicContact CB-CE3 3.68Å; R200-W206 HydrophobicContact CB-CH2 3.88Å; R200-W206 HydrophobicContact CB-CZ3 3.37Å; R200-W206 HydrophobicContact CG-CD2 4.24Å; R200-W206 HydrophobicContact CG-CE3 3.85Å; R200-W206 HydrophobicContact CG-CH2 3.49Å; R200-W206 VanDerWaalsContact CG-CH2 3.49Å; R200-W206 HydrophobicContact CG-CZ2 3.89Å; R200-W206 HydrophobicContact CG-CZ3 3.5Å
207	E	97.6	Very high	95	Very high	124 Å²	124	63.4 Å²	63.4	58%	0.579	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.6	170.6	-177.2	-179.3	-173	0	0	108.6	I198 T199 T201	I198-E207 CarbonylContact C-O 3.57Å; I198-E207 VanDerWaalsContact CA-O 3.32Å; I198-E207 WeakPolarHBondContact CA-O 3.38Å; T199-E207 PolarHBondContact N-O 3.33Å; T199-E207 PolarHBondContact O-N 3.07Å; T201-E207 HydrophobicContact CG2-CB 4.1Å
208	S	96.7	Very high	94.6	Very high	71 Å²	71	66.8 Å²	66.8	50%	0.497	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.7	-179.5	-60.7	0	0	0	0	110.5	Q197	Q197-S208 CarbonylContact O-C 3.51Å; Q197-S208 WeakPolarHBondContact O-CA 3.3Å
209	K	97.2	Very high	94.2	Very high	134 Å²	134	67.8 Å²	67.8	58%	0.583	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.5	177.5	179.6	-175.7	175.9	-172.5	0	109.7	T196 Q197	T196-K209 WeakPolarHBondContact CA-O 3.41Å; Q197-K209 PolarHBondContact N-O 3.04Å; Q197-K209 PolarHBondContact O-N 3.37Å
210	N	96.8	Very high	93.6	Very high	100 Å²	100	70.1 Å²	70.1	54%	0.535	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.6	172.2	-66.3	-19.5	0	0	0	110	T196	T196-N210 PolarHBondContact OG1-OD1 3.3Å
211	I	94.7	Very high	92.8	Very high	46 Å²	46	73.5 Å²	73.5	24%	0.236	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-60.3	-179	-49.8	172.6	0	0	0	109.2	E71 A75 V188 L195 Q197	E71-I211 HydrophobicContact CB-CG2 4.2Å; E71-I211 HydrophobicContact CG-CG2 4.39Å; E71-I211 WeakPolarHBondContact OE2-CG2 3.47Å; A75-I211 HydrophobicContact CB-CD1 3.51Å; V188-I211 HydrophobicContact CG1-CD1 4.16Å; L195-I211 HydrophobicContact CD2-CD1 4.09Å; L195-I211 HydrophobicContact CG-CD1 4.14Å; L195-I211 WeakPolarHBondContact O-CB 3.41Å; L195-I211 WeakPolarHBondContact O-CG1 3.38Å; L195-I211 PolarHBondContact O-N 2.93Å; Q197-I211 HydrophobicContact CB-CD1 4.11Å; Q197-I211 HydrophobicContact CB-CG1 4.25Å
212	L	93.8	Very high	91.5	Very high	42 Å²	42	74.4 Å²	74.4	22%	0.22	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162	177.5	66.5	139.7	0	0	0	112.5	I68 E71 L195 V214	I68-L212 HydrophobicContact CD1-CD1 3.71Å; E71-L212 HydrophobicContact CB-CD2 3.87Å; E71-L212 HydrophobicContact CG-CD2 3.8Å; L195-L212 HydrophobicContact CB-CD2 4.35Å; L195-L212 HydrophobicContact CB-CG 4.38Å; L195-L212 HydrophobicContact CD2-CD2 3.81Å; L195-L212 PolarHBondContact N-O 3.35Å; L212-V214 HydrophobicContact CD1-CG1 3.74Å; L212-V214 HydrophobicContact CG-CG1 3.84Å
213	A	93.1	Very high	89.8	Confident	69 Å²	69	81 Å²	81	57%	0.57	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.6	171.3	0	0	0	0	0	110.9	D193	D193-A213 WeakPolarHBondContact O-CA 3.4Å
214	V	92.1	Very high	88.1	Confident	11 Å²	11	85.7 Å²	85.7	7%	0.067	47%	0.468	C	S	.	.			trans	-143.6	160.6	-172.7	-67.3	0	0	0	0	112.2	M1 I68 P190 D193 L195 L212 F216	M1-V214 HydrophobicContact CE-CB 3.74Å; M1-V214 HydrophobicContact CE-CG1 3.94Å; M1-V214 WeakPolarHBondContact SD-CA 3.48Å; M1-V214 HydrophobicContact SD-CB 3.29Å; M1-V214 WeakPolarHBondContact SD-CB 3.24Å; M1-V214 HydrophobicContact SD-CG1 3.52Å; M1-V214 VanDerWaalsContact SD-CG1 3.52Å; I68-V214 HydrophobicContact CD1-CG1 3.94Å; P190-V214 HydrophobicContact CB-CG2 3.85Å; D193-V214 CarbonylContact C-O 3.6Å; D193-V214 WeakPolarHBondContact CA-O 3.22Å; D193-V214 WeakPolarHBondContact CB-O 3.49Å; D193-V214 PolarHBondContact O-N 3.08Å; D193-V214 VanDerWaalsContact O-O 3.06Å; L195-V214 HydrophobicContact CB-CG1 3.76Å; L195-V214 HydrophobicContact CB-CG2 3.97Å; L195-V214 VanDerWaalsContact N-CG2 3.33Å; L212-V214 HydrophobicContact CD1-CG1 3.74Å; L212-V214 HydrophobicContact CG-CG1 3.84Å; V214-F216 HydrophobicContact CB-CD2 3.88Å; V214-F216 HydrophobicContact CB-CE2 3.8Å; V214-F216 HydrophobicContact CG1-CE2 4.17Å; V214-F216 HydrophobicContact CG2-CD2 3.77Å; V214-F216 HydrophobicContact CG2-CE2 3.85Å
215	S	90.3	Very high	86.2	Confident	85 Å²	85	84.1 Å²	84.1	59%	0.594	46%	0.464	S	S	*	.			trans	-129.3	113	171.5	179.4	0	0	0	0	109	M1	M1-S215 WeakPolarHBondContact CE-O 3.21Å; M1-S215 VanDerWaalsContact CG-O 3.28Å; M1-S215 WeakPolarHBondContact CG-O 3.43Å; M1-S215 PolarHBondContact SD-N 2.93Å
216	F	89.8	Confident	83.9	Confident	25 Å²	25	87.9 Å²	87.9	11%	0.11	48%	0.48	C	S	.	.			trans	-119.6	151.5	178	-81.4	-96.7	0	0	0	110.2	M1 I68 G166 P190 L195 V214	M1-F216 HydrophobicContact CE-CD1 4.48Å; M1-F216 HydrophobicContact CE-CD2 3.47Å; M1-F216 VanDerWaalsContact CE-CD2 3.47Å; M1-F216 HydrophobicContact CE-CE1 4.19Å; M1-F216 HydrophobicContact CE-CE2 3.1Å; M1-F216 HydrophobicContact CE-CG 4.18Å; M1-F216 HydrophobicContact CE-CZ 3.53Å; M1-F216 HydrophobicContact SD-CE2 4.45Å; I68-F216 HydrophobicContact CG2-CE2 4.37Å; I68-F216 HydrophobicContact CG2-CZ 3.78Å; G166-F216 VanDerWaalsContact O-CD1 3.24Å; G166-F216 WeakPolarHBondContact O-CD1 3.41Å; P190-F216 HydrophobicContact CB-CB 4.32Å; P190-F216 HydrophobicContact CB-CD2 3.43Å; P190-F216 VanDerWaalsContact CB-CD2 3.43Å; P190-F216 HydrophobicContact CB-CE2 3.84Å; P190-F216 HydrophobicContact CB-CG 4.02Å; P190-F216 HydrophobicContact CG-CB 4.01Å; P190-F216 HydrophobicContact CG-CD1 4.2Å; P190-F216 HydrophobicContact CG-CD2 3.56Å; P190-F216 HydrophobicContact CG-CE2 3.93Å; P190-F216 HydrophobicContact CG-CG 3.69Å; P190-F216 HydrophobicContact CG-CZ 4.41Å; L195-F216 HydrophobicContact CD1-CE2 4.36Å; V214-F216 HydrophobicContact CB-CD2 3.88Å; V214-F216 HydrophobicContact CB-CE2 3.8Å; V214-F216 HydrophobicContact CG1-CE2 4.17Å; V214-F216 HydrophobicContact CG2-CD2 3.77Å; V214-F216 HydrophobicContact CG2-CE2 3.85Å
217	A	88.9	Confident	81.8	Confident	70 Å²	70	88.5 Å²	88.5	58%	0.579	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-62.8	136.6	165.3	0	0	0	0	0	109	A167 G168	A167-A217 CarbonylContact C-O 3.54Å; A167-A217 WeakPolarHBondContact CA-O 3.35Å; A167-A217 WeakPolarHBondContact CB-O 3.44Å; G168-A217 PolarHBondContact N-O 3.12Å
218	P	89.6	Confident	79.8	Confident	89 Å²	89	86.8 Å²	86.8	58%	0.578	51%	0.511	S	S	*	.	B	Isolated β-bridge	trans	-66.8	151.3	-179.6	28.8	-35	0	0	0	111	V220	P218-V220 PolarHBondContact O-N 3.12Å
219	L	89	Confident	77.9	Confident	21 Å²	21	92.6 Å²	92.6	11%	0.11	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-58.1	131.5	168.5	-81.7	172.6	0	0	0	110.5	C150 L151 A167 G168 V169 M177 Q221	C150-L219 HydrophobicContact CB-CD2 4.27Å; L151-L219 HydrophobicContact CD1-CB 4.48Å; L151-L219 HydrophobicContact CD2-CD1 4.17Å; L151-L219 HydrophobicContact CG-CD1 4.46Å; A167-L219 HydrophobicContact CB-CD2 3.65Å; A167-L219 HydrophobicContact CB-CG 3.81Å; G168-L219 PolarHBondContact O-N 3.36Å; V169-L219 HydrophobicContact CG2-CD1 3.82Å; M177-L219 HydrophobicContact CE-CD1 3.37Å; L219-Q221 PolarHBondContact O-N 3.37Å
220	V	86.9	Confident	76.1	Confident	82 Å²	82	88.9 Å²	88.9	50%	0.497	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-71.7	119.7	177.4	-178.4	0	0	0	0	109.1	L113 N149 P218	L113-V220 HydrophobicContact CD2-CB 3.75Å; L113-V220 HydrophobicContact CD2-CG1 4.11Å; L113-V220 HydrophobicContact CD2-CG2 3.75Å; N149-V220 PolarHBondContact ND2-O 3.18Å; P218-V220 PolarHBondContact O-N 3.12Å
221	Q	81.8	Confident	74.9	Confident	92 Å²	92	91.3 Å²	91.3	43%	0.43	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-86.1	135.1	170.8	-59.7	-178.3	9.6	0	0	108.9	L151 H173 L219 N223	L151-Q221 HydrophobicContact CD1-CG 4.23Å; H173-Q221 PolarHBondContact CE1-NE2 3Å; H173-Q221 VanDerWaalsContact CE1-NE2 3.31Å; L219-Q221 PolarHBondContact O-N 3.37Å; Q221-N223 PolarHBondContact O-N 3.43Å
222	Q	69.4	Low	74.5	Confident	95 Å²	95	91.7 Å²	91.7	44%	0.444	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-69	130	169.6	-70.3	-152	13.5	0	0	110	E152 R224	E152-Q222 VanDerWaalsContact CD-CD 3.48Å; E152-Q222 WeakPolarHBondContact OE1-CB 3.46Å; E152-Q222 WeakPolarHBondContact OE1-CG 3.47Å; E152-Q222 PolarHBondContact OE1-NE2 3.18Å; E152-Q222 PolarHBondContact OE1-OE1 3.42Å; E152-Q222 VanDerWaalsContact OE2-CD 3.3Å; E152-Q222 PolarHBondContact OE2-NE2 2.95Å; Q222-R224 PolarHBondContact O-N 3.24Å
223	N	59	Low	74.4	Confident	153 Å²	153	90.2 Å²	90.2	82%	0.818	53%	0.533	S	S	*	.			trans	-70.4	112.1	168.7	-103	-20.8	0	0	0	108.3	Q221 A225	Q221-N223 PolarHBondContact O-N 3.43Å; N223-A225 PolarHBondContact O-N 3.02Å
224	R	57.8	Low	74.3	Confident	240 Å²	240	94.5 Å²	94.5	91%	0.906	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	20.3	176.3	-61.8	-177.1	176.8	179.5	-0.2	114	Q222 D226	Q222-R224 PolarHBondContact O-N 3.24Å; R224-D226 VanDerWaalsContact C-N 3.34Å
225	A	53.1	Low	74.3	Confident	88 Å²	88	95.1 Å²	95.1	73%	0.727	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.9	-174.9	0	0	0	0	0	112.5	N223	N223-A225 PolarHBondContact O-N 3.02Å
226	D	47.6	Very low	74.4	Confident	133 Å²	133	92.4 Å²	92.4	71%	0.711	52%	0.524	S	S	*	.	S	Bend	trans	-96.4	113.8	169.4	-78.4	-27.7	0	0	0	108.8	R224 S228	R224-D226 VanDerWaalsContact C-N 3.34Å; D226-S228 PolarHBondContact O-N 3.38Å
227	G	52	Low	74.3	Confident	88 Å²	88	96.2 Å²	96.2	91%	0.907	55%	0.552	S	S	*	*			trans	-62.9	16.5	-175.2	0	0	0	0	0	116.6
228	S	55.6	Low	74.2	Confident	88 Å²	88	96.8 Å²	96.8	62%	0.615	55%	0.547	S	S	*	.	S	Bend	trans	-75.1	124.9	164.5	50.4	0	0	0	0	109.2	D226 P230	D226-S228 PolarHBondContact O-N 3.38Å; S228-P230 WeakPolarHBondContact O-CD 3.31Å
229	K	56.8	Low	74	Confident	193 Å²	193	98 Å²	98	84%	0.839	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-58.7	125.2	164.5	-74.7	-178	178.4	179.3	0	107.1	D231	K229-D231 PolarHBondContact O-N 2.98Å
230	P	61.1	Low	73.8	Confident	57 Å²	57	103.8 Å²	103.8	37%	0.37	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-59.2	133.4	171	21.8	-28.7	0	0	0	108.4	E152 S228 A232	E152-P230 VanDerWaalsContact CD-CB 3.45Å; E152-P230 HydrophobicContact CG-CG 4.34Å; E152-P230 WeakPolarHBondContact OE1-CB 3.46Å; E152-P230 WeakPolarHBondContact OE1-CG 3.38Å; E152-P230 WeakPolarHBondContact OE2-CB 3.49Å; S228-P230 WeakPolarHBondContact O-CD 3.31Å; P230-A232 PolarHBondContact O-N 3.35Å
231	D	70.3	Confident	74	Confident	151 Å²	151	103.7 Å²	103.7	81%	0.807	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-59	124.1	173.4	-77.5	-28.4	0	0	0	108	K229 V233	K229-D231 PolarHBondContact O-N 2.98Å; D231-V233 PolarHBondContact O-N 3.28Å
232	A	86.7	Confident	74.6	Confident	54 Å²	54	102.4 Å²	102.4	45%	0.446	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-59.1	134.4	178.2	0	0	0	0	0	109.3	E152 P230 E234	E152-A232 CarbonylContact O-C 3.59Å; E152-A232 WeakPolarHBondContact O-CA 3.48Å; P230-A232 PolarHBondContact O-N 3.35Å; A232-E234 PolarHBondContact O-N 3.44Å; A232-E234 VanDerWaalsContact O-N 3.1Å
233	V	91	Very high	75.8	Confident	11 Å²	11	104.5 Å²	104.5	7%	0.067	60%	0.595	C	S	.	*	B	Isolated β-bridge	trans	-71	109.5	176.5	-176.9	0	0	0	0	108	V111 T146 E152 I153 S154 D231	V111-V233 HydrophobicContact CG1-CG1 4.37Å; T146-V233 HydrophobicContact CG2-CG1 3.86Å; E152-V233 HydrophobicContact CB-CG2 4.29Å; E152-V233 PolarHBondContact O-N 2.94Å; I153-V233 HydrophobicContact CG1-CB 4.41Å; S154-V233 PolarHBondContact N-O 2.84Å; S154-V233 VanDerWaalsContact N-O 3.11Å; D231-V233 PolarHBondContact O-N 3.28Å
234	E	91.8	Very high	77.5	Confident	159 Å²	159	102.7 Å²	102.7	74%	0.743	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-84.1	122.4	173.6	-66.1	-171.6	173.4	0	0	109.9	A232	A232-E234 PolarHBondContact O-N 3.44Å; A232-E234 VanDerWaalsContact O-N 3.1Å
235	L	92.6	Very high	79.2	Confident	24 Å²	24	92.1 Å²	92.1	13%	0.126	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-80.8	145.9	175.8	-60.9	-179.6	0	0	0	110.4	L85 V111 I153 Y160	L85-L235 HydrophobicContact CD1-CD1 4.17Å; V111-L235 HydrophobicContact CG2-CD2 3.48Å; V111-L235 VanDerWaalsContact CG2-CD2 3.48Å; I153-L235 HydrophobicContact CG2-CD1 3.87Å; I153-L235 HydrophobicContact CG2-CG 4.08Å; Y160-L235 HydrophobicContact CE2-CD1 3.89Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.39Å
236	P	91.3	Very high	81.2	Confident	28 Å²	28	90.9 Å²	90.9	18%	0.182	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-54	140	179.6	-25	32.2	0	0	0	112.3	H109 I144 T146	H109-P236 PolarHBondContact CE1-O 2.7Å; I144-P236 HydrophobicContact CB-CG 4.12Å; I144-P236 HydrophobicContact CD1-CB 4.17Å; I144-P236 HydrophobicContact CG2-CB 4.08Å; I144-P236 HydrophobicContact CG2-CG 3.49Å; I144-P236 VanDerWaalsContact CG2-CG 3.49Å; T146-P236 WeakPolarHBondContact OG1-CD 3.44Å
237	P	88.8	Confident	83.5	Confident	105 Å²	105	87.1 Å²	87.1	68%	0.682	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-67.8	143.9	176.4	28.8	-34.3	0	0	0	110.4	T239	P237-T239 PolarHBondContact O-N 3.38Å
238	V	86.8	Confident	85.5	Confident	81 Å²	81	84.6 Å²	84.6	49%	0.491	47%	0.471	S	S	.	.			trans	-77	110.2	172.3	-177.6	0	0	0	0	108	V107	V107-V238 HydrophobicContact CG1-CG2 4.07Å; V107-V238 HydrophobicContact CG2-CG1 3.92Å; V107-V238 HydrophobicContact CG2-CG2 3.97Å
239	T	83.9	Confident	87.4	Confident	114 Å²	114	81.4 Å²	81.4	70%	0.699	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-93.8	145	178.3	56	0	0	0	0	110.7	P237	P237-T239 PolarHBondContact O-N 3.38Å
240	V	85.7	Confident	89.2	Confident	143 Å²	143	80 Å²	80	87%	0.867	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-75.5	130.7	172.1	-176.1	0	0	0	0	108
241	R	90.3	Very high	90.8	Very high	81 Å²	81	80.5 Å²	80.5	31%	0.306	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-62.4	144.1	176.6	-69.8	-179.4	178.7	-92.5	1.1	110.7	P104 D245 L246	P104-R241 PolarHBondContact O-NE 3.01Å; P104-R241 PolarHBondContact O-NH2 3.03Å; R241-D245 WeakPolarHBondContact CD-OD2 3.42Å; R241-D245 WeakPolarHBondContact CG-OD2 3.42Å; R241-D245 IonicContact CZ-OD2 3.68Å; R241-D245 IonicContact NE-OD2 3.2Å; R241-D245 IonicContact NH1-OD1 3.05Å; R241-D245 IonicContact NH1-OD2 3.75Å; R241-D245 PolarHBondContact NH1-OD2 3.39Å; R241-L246 HydrophobicContact CB-CD2 4Å; R241-L246 HydrophobicContact CB-CG 4.06Å
242	S	94.3	Very high	92	Very high	65 Å²	65	73.7 Å²	73.7	46%	0.455	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-68.6	155.2	175.5	72.3	0	0	0	0	111	Q244 D245 L246	S242-Q244 PolarHBondContact O-N 3.35Å; S242-D245 PolarHBondContact O-N 3.22Å; S242-D245 VanDerWaalsContact O-N 3.09Å; S242-D245 PolarHBondContact OG-N 2.92Å; S242-L246 WeakPolarHBondContact O-CG 3.48Å; S242-L246 PolarHBondContact O-N 3.35Å
243	L	95.3	Very high	92.3	Very high	139 Å²	139	75 Å²	75	73%	0.728	39%	0.392	S	S	*	.	H	α-helix	trans	-56.3	-34.3	174.1	-178.8	61.8	0	0	0	111.9	S247	L243-S247 WeakPolarHBondContact O-CB 3.27Å; L243-S247 PolarHBondContact O-N 2.87Å; L243-S247 PolarHBondContact O-OG 3.19Å
244	Q	94.4	Very high	92.5	Very high	115 Å²	115	77 Å²	77	54%	0.537	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-47.1	176.8	-162.3	-167	2.8	0	0	111.3	S242 S247 R248 Y354	S242-Q244 PolarHBondContact O-N 3.35Å; Q244-S247 WeakPolarHBondContact O-CB 3.32Å; Q244-S247 PolarHBondContact O-N 2.95Å; Q244-R248 PolarHBondContact O-N 3.24Å; Q244-Y354 HydrophobicContact CG-CE1 3.79Å; Q244-Y354 HydrophobicContact CG-CE2 4.42Å; Q244-Y354 WeakPolarHBondContact CG-OH 3.21Å; Q244-Y354 PolarHBondContact O-OH 2.88Å; Q244-Y354 VanDerWaalsContact O-OH 3.11Å
245	D	93.4	Very high	92.5	Very high	17 Å²	17	70.4 Å²	70.4	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-68	-42.1	179.3	-176	46.2	0	0	0	112	R241 S242 S247 R248 I249 Y354	R241-D245 WeakPolarHBondContact CD-OD2 3.42Å; R241-D245 WeakPolarHBondContact CG-OD2 3.42Å; R241-D245 IonicContact CZ-OD2 3.68Å; R241-D245 IonicContact NE-OD2 3.2Å; R241-D245 IonicContact NH1-OD1 3.05Å; R241-D245 IonicContact NH1-OD2 3.75Å; R241-D245 PolarHBondContact NH1-OD2 3.39Å; S242-D245 PolarHBondContact O-N 3.22Å; S242-D245 VanDerWaalsContact O-N 3.09Å; S242-D245 PolarHBondContact OG-N 2.92Å; D245-S247 VanDerWaalsContact C-N 3.28Å; D245-S247 PolarHBondContact O-N 3.3Å; D245-R248 WeakPolarHBondContact O-CB 3.41Å; D245-R248 PolarHBondContact O-N 3.1Å; D245-R248 IonicContact OD1-CZ 3.72Å; D245-R248 IonicContact OD1-NE 2.69Å; D245-R248 PolarHBondContact OD1-NE 2.81Å; D245-R248 IonicContact OD1-NH2 3.61Å; D245-R248 PolarHBondContact OD1-NH2 3.37Å; D245-I249 WeakPolarHBondContact O-CG1 3.47Å; D245-I249 PolarHBondContact O-N 2.86Å; D245-Y354 WeakPolarHBondContact CA-OH 3.38Å; D245-Y354 PolarHBondContact N-OH 3.2Å
246	L	95	Very high	92.5	Very high	63 Å²	63	70.6 Å²	70.6	33%	0.33	37%	0.374	S	S	.	.	H	α-helix	trans	-58.3	-41.5	172.6	-67.3	173.7	0	0	0	111.7	F105 R241 S242 I249 Y250	F105-L246 HydrophobicContact CE1-CD2 3.71Å; F105-L246 HydrophobicContact CZ-CD2 4.46Å; R241-L246 HydrophobicContact CB-CD2 4Å; R241-L246 HydrophobicContact CB-CG 4.06Å; S242-L246 WeakPolarHBondContact O-CG 3.48Å; S242-L246 PolarHBondContact O-N 3.35Å; L246-I249 PolarHBondContact O-N 3.37Å; L246-Y250 WeakPolarHBondContact O-CB 3.27Å; L246-Y250 PolarHBondContact O-N 2.95Å
247	S	95.6	Very high	92.4	Very high	53 Å²	53	73 Å²	73	37%	0.371	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-43.8	177.1	-58.3	0	0	0	0	111.3	L243 Q244 D245 I249 Y250 I251	L243-S247 WeakPolarHBondContact O-CB 3.27Å; L243-S247 PolarHBondContact O-N 2.87Å; L243-S247 PolarHBondContact O-OG 3.19Å; Q244-S247 WeakPolarHBondContact O-CB 3.32Å; Q244-S247 PolarHBondContact O-N 2.95Å; D245-S247 VanDerWaalsContact C-N 3.28Å; D245-S247 PolarHBondContact O-N 3.3Å; S247-I249 PolarHBondContact O-N 2.8Å; S247-Y250 PolarHBondContact O-N 3.15Å; S247-I251 WeakPolarHBondContact O-CB 3.15Å; S247-I251 WeakPolarHBondContact O-CD1 3.35Å; S247-I251 WeakPolarHBondContact O-CG1 3.18Å; S247-I251 PolarHBondContact O-N 3.1Å
248	R	95.3	Very high	92.4	Very high	36 Å²	36	71.7 Å²	71.7	14%	0.136	37%	0.372	C	S	.	.	H	α-helix	trans	-59	-46.9	174.9	171.3	173.4	63.2	172.5	2.4	112.1	Q244 D245 Y250 R252 Y354 L355 H357	Q244-R248 PolarHBondContact O-N 3.24Å; D245-R248 WeakPolarHBondContact O-CB 3.41Å; D245-R248 PolarHBondContact O-N 3.1Å; D245-R248 IonicContact OD1-CZ 3.72Å; D245-R248 IonicContact OD1-NE 2.69Å; D245-R248 PolarHBondContact OD1-NE 2.81Å; D245-R248 IonicContact OD1-NH2 3.61Å; D245-R248 PolarHBondContact OD1-NH2 3.37Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; R248-Y250 PolarHBondContact O-N 3.4Å; R248-R252 HydrophobicContact CG-CG 4.48Å; R248-R252 WeakPolarHBondContact O-CB 3.42Å; R248-R252 VanDerWaalsContact O-CG 3.27Å; R248-R252 WeakPolarHBondContact O-CG 3.29Å; R248-R252 PolarHBondContact O-N 3.27Å; R248-Y354 HydrophobicContact CB-CD1 4.36Å; R248-Y354 HydrophobicContact CB-CE1 3.62Å; R248-Y354 VanDerWaalsContact CD-O 3.23Å; R248-Y354 WeakPolarHBondContact CD-O 3.28Å; R248-Y354 HydrophobicContact CG-CE1 4.29Å; R248-L355 HydrophobicContact CB-CD2 4.37Å; R248-L355 HydrophobicContact CG-CD2 4.23Å; R248-H357 PolarHBondContact NH1-CE1 2.69Å; R248-H357 PolarHBondContact NH1-ND1 3.03Å
249	I	94.6	Very high	92.4	Very high	21 Å²	21	68.5 Å²	68.5	11%	0.108	35%	0.352	C	S	.	.	H	α-helix	trans	-58.3	-49.7	178	-68.9	159.7	0	0	0	109.9	P104 F105 D245 L246 S247 R252 R253	P104-I249 HydrophobicContact CB-CD1 3.82Å; P104-I249 HydrophobicContact CB-CG1 4.34Å; P104-I249 HydrophobicContact CB-CG2 4.4Å; P104-I249 HydrophobicContact CG-CD1 4.46Å; P104-I249 HydrophobicContact CG-CG2 3.9Å; F105-I249 HydrophobicContact CZ-CG2 4.49Å; D245-I249 WeakPolarHBondContact O-CG1 3.47Å; D245-I249 PolarHBondContact O-N 2.86Å; L246-I249 PolarHBondContact O-N 3.37Å; S247-I249 PolarHBondContact O-N 2.8Å; I249-R252 PolarHBondContact O-N 2.75Å; I249-R253 WeakPolarHBondContact O-CB 3.46Å; I249-R253 PolarHBondContact O-N 3.2Å
250	Y	95.3	Very high	92.3	Very high	162 Å²	162	67.8 Å²	67.8	64%	0.635	35%	0.345	S	S	*	.	H	α-helix	trans	-64.7	-45.7	-177.4	-163.1	-97.5	0	0	0	112.2	L246 S247 R248 R252 R253 T254	L246-Y250 WeakPolarHBondContact O-CB 3.27Å; L246-Y250 PolarHBondContact O-N 2.95Å; S247-Y250 PolarHBondContact O-N 3.15Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; R248-Y250 PolarHBondContact O-N 3.4Å; Y250-R252 PolarHBondContact O-N 3.49Å; Y250-R253 WeakPolarHBondContact O-CB 3.14Å; Y250-R253 PolarHBondContact O-N 3.3Å; Y250-T254 PolarHBondContact O-N 3.49Å; Y250-T254 PolarHBondContact O-OG1 3.03Å; Y250-T254 VanDerWaalsContact O-OG1 3.06Å
251	I	94.9	Very high	92	Very high	68 Å²	68	68.2 Å²	68.2	35%	0.349	34%	0.337	S	S	.	.	H	α-helix	trans	-58.8	-49.5	176.6	-68.6	163.9	0	0	0	110.6	S247 R253 T254 L255 L355	S247-I251 WeakPolarHBondContact O-CB 3.15Å; S247-I251 WeakPolarHBondContact O-CD1 3.35Å; S247-I251 WeakPolarHBondContact O-CG1 3.18Å; S247-I251 PolarHBondContact O-N 3.1Å; I251-R253 VanDerWaalsContact C-N 3.3Å; I251-R253 PolarHBondContact O-N 3.14Å; I251-T254 PolarHBondContact O-N 3.03Å; I251-L255 HydrophobicContact CG2-CD1 3.97Å; I251-L255 HydrophobicContact CG2-CG 4.42Å; I251-L255 VanDerWaalsContact O-CG 3.3Å; I251-L255 WeakPolarHBondContact O-CG 3.47Å; I251-L255 PolarHBondContact O-N 3.35Å; I251-L355 HydrophobicContact CB-CD2 3.99Å; I251-L355 HydrophobicContact CD1-CD2 4.11Å; I251-L355 HydrophobicContact CG2-CD1 4Å; I251-L355 HydrophobicContact CG2-CD2 3.75Å
252	R	94.6	Very high	91.3	Very high	8 Å²	8	70.7 Å²	70.7	3%	0.03	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-38.8	178.8	-72.1	169.3	63.1	77.5	1.1	111.8	D136 R248 I249 Y250 R256 L338 L355	D136-R252 IonicContact OD1-CZ 3.49Å; D136-R252 VanDerWaalsContact OD1-CZ 3.32Å; D136-R252 IonicContact OD1-NH1 2.79Å; D136-R252 PolarHBondContact OD1-NH1 3.47Å; D136-R252 IonicContact OD1-NH2 3.55Å; D136-R252 PolarHBondContact OD1-NH2 3Å; R248-R252 HydrophobicContact CG-CG 4.48Å; R248-R252 WeakPolarHBondContact O-CB 3.42Å; R248-R252 VanDerWaalsContact O-CG 3.27Å; R248-R252 WeakPolarHBondContact O-CG 3.29Å; R248-R252 PolarHBondContact O-N 3.27Å; I249-R252 PolarHBondContact O-N 2.75Å; Y250-R252 PolarHBondContact O-N 3.49Å; R252-R256 WeakPolarHBondContact O-CG 3.13Å; R252-R256 PolarHBondContact O-N 3.45Å; R252-L338 HydrophobicContact CB-CD2 4.44Å; R252-L355 WeakPolarHBondContact CD-O 3.18Å; R252-L355 PolarHBondContact NH1-O 3.37Å
253	R	94	Very high	89.7	Confident	81 Å²	81	69.4 Å²	69.4	31%	0.306	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-53.4	174.8	-171.2	-177.8	-139.1	168.6	19.5	111.2	E139 I249 Y250 I251 L255 R256 D257	E139-R253 IonicContact OE1-CZ 3.41Å; E139-R253 IonicContact OE1-NE 2.69Å; E139-R253 PolarHBondContact OE1-NE 2.69Å; E139-R253 IonicContact OE1-NH2 2.66Å; E139-R253 IonicContact OE2-CZ 3.91Å; E139-R253 IonicContact OE2-NE 2.95Å; E139-R253 PolarHBondContact OE2-NE 3.32Å; E139-R253 IonicContact OE2-NH2 3.34Å; E139-R253 PolarHBondContact OE2-NH2 2.66Å; I249-R253 WeakPolarHBondContact O-CB 3.46Å; I249-R253 PolarHBondContact O-N 3.2Å; Y250-R253 WeakPolarHBondContact O-CB 3.14Å; Y250-R253 PolarHBondContact O-N 3.3Å; I251-R253 VanDerWaalsContact C-N 3.3Å; I251-R253 PolarHBondContact O-N 3.14Å; R253-L255 VanDerWaalsContact C-N 3.29Å; R253-L255 PolarHBondContact O-N 3.42Å; R253-R256 WeakPolarHBondContact O-CB 3.26Å; R253-R256 PolarHBondContact O-N 2.92Å; R253-R256 VanDerWaalsContact O-N 3.07Å; R253-D257 VanDerWaalsContact O-CG 3.29Å; R253-D257 PolarHBondContact O-N 3.43Å
254	T	94.3	Very high	87.8	Confident	55 Å²	55	67.9 Å²	67.9	34%	0.337	34%	0.342	S	S	.	.	H	α-helix	trans	-56.8	-43.1	178.2	-55.6	0	0	0	0	111.8	Y250 I251 R256 D257 L258	Y250-T254 PolarHBondContact O-N 3.49Å; Y250-T254 PolarHBondContact O-OG1 3.03Å; Y250-T254 VanDerWaalsContact O-OG1 3.06Å; I251-T254 PolarHBondContact O-N 3.03Å; T254-R256 PolarHBondContact O-N 3.11Å; T254-D257 PolarHBondContact O-N 2.82Å; T254-L258 HydrophobicContact CG2-CD1 4.14Å; T254-L258 VanDerWaalsContact O-CG 3.28Å; T254-L258 WeakPolarHBondContact O-CG 3.28Å; T254-L258 PolarHBondContact O-N 3.09Å
255	L	92.9	Very high	85.5	Confident	20 Å²	20	68.6 Å²	68.6	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-38.7	177.6	-68.9	174.2	0	0	0	112.6	I251 R253 T259 L338 I342 L345	I251-L255 HydrophobicContact CG2-CD1 3.97Å; I251-L255 HydrophobicContact CG2-CG 4.42Å; I251-L255 VanDerWaalsContact O-CG 3.3Å; I251-L255 WeakPolarHBondContact O-CG 3.47Å; I251-L255 PolarHBondContact O-N 3.35Å; R253-L255 VanDerWaalsContact C-N 3.29Å; R253-L255 PolarHBondContact O-N 3.42Å; L255-T259 WeakPolarHBondContact O-CB 3.17Å; L255-T259 PolarHBondContact O-N 3.35Å; L255-T259 VanDerWaalsContact O-N 3.09Å; L255-T259 PolarHBondContact O-OG1 3.41Å; L255-L338 HydrophobicContact CB-CD1 3.59Å; L255-L338 HydrophobicContact CD1-CD1 4.23Å; L255-I342 HydrophobicContact CD1-CG1 3.65Å; L255-L345 HydrophobicContact CD1-CD1 4.05Å; L255-L345 HydrophobicContact CD2-CD1 4.4Å
256	R	91.3	Very high	83.3	Confident	27 Å²	27	76 Å²	76	10%	0.102	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-46.9	173.9	-79.7	-175.9	-71	-116.4	-0.9	111.9	D136 F138 R252 R253 T254 L258 T259 N260 L338	D136-R256 WeakPolarHBondContact O-CD 3.23Å; D136-R256 PolarHBondContact O-NH1 3.26Å; F138-R256 PolarHBondContact O-NH1 2.91Å; R252-R256 WeakPolarHBondContact O-CG 3.13Å; R252-R256 PolarHBondContact O-N 3.45Å; R253-R256 WeakPolarHBondContact O-CB 3.26Å; R253-R256 PolarHBondContact O-N 2.92Å; R253-R256 VanDerWaalsContact O-N 3.07Å; T254-R256 PolarHBondContact O-N 3.11Å; R256-L258 VanDerWaalsContact C-N 3.33Å; R256-L258 PolarHBondContact O-N 3.11Å; R256-T259 WeakPolarHBondContact O-CA 3.44Å; R256-T259 WeakPolarHBondContact O-CB 3Å; R256-T259 PolarHBondContact O-N 2.95Å; R256-N260 PolarHBondContact O-N 3.32Å; R256-N260 PolarHBondContact O-ND2 3Å; R256-L338 HydrophobicContact CG-CD1 4.18Å; R256-L338 HydrophobicContact CG-CD2 4.2Å
257	D	90.3	Very high	80.7	Confident	80 Å²	80	76 Å²	76	43%	0.428	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-46.9	-178.8	-63.4	-21	0	0	0	110.4	R253 T254 T259 N260 E261	R253-D257 VanDerWaalsContact O-CG 3.29Å; R253-D257 PolarHBondContact O-N 3.43Å; T254-D257 PolarHBondContact O-N 2.82Å; D257-T259 VanDerWaalsContact C-N 3.28Å; D257-T259 PolarHBondContact O-N 3.42Å; D257-N260 PolarHBondContact O-N 3.41Å; D257-E261 WeakPolarHBondContact O-CG 3.33Å; D257-E261 PolarHBondContact O-N 3.26Å
258	L	89.4	Confident	77.9	Confident	76 Å²	76	79.7 Å²	79.7	40%	0.398	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-36	174.2	-68.4	171.3	0	0	0	113	T254 R256 E262	T254-L258 HydrophobicContact CG2-CD1 4.14Å; T254-L258 VanDerWaalsContact O-CG 3.28Å; T254-L258 WeakPolarHBondContact O-CG 3.28Å; T254-L258 PolarHBondContact O-N 3.09Å; R256-L258 VanDerWaalsContact C-N 3.33Å; R256-L258 PolarHBondContact O-N 3.11Å; L258-E262 VanDerWaalsContact O-CG 3.28Å; L258-E262 WeakPolarHBondContact O-CG 3.48Å; L258-E262 PolarHBondContact O-N 3.22Å; L258-E262 VanDerWaalsContact O-N 3.15Å
259	T	85.8	Confident	75.1	Confident	14 Å²	14	83.9 Å²	83.9	9%	0.086	44%	0.44	C	S	.	.	H	α-helix	trans	-68.3	-41.4	177.6	-54.7	0	0	0	0	112.3	L255 R256 D257 E261 E262 S263 V337 K341	L255-T259 WeakPolarHBondContact O-CB 3.17Å; L255-T259 PolarHBondContact O-N 3.35Å; L255-T259 VanDerWaalsContact O-N 3.09Å; L255-T259 PolarHBondContact O-OG1 3.41Å; R256-T259 WeakPolarHBondContact O-CA 3.44Å; R256-T259 WeakPolarHBondContact O-CB 3Å; R256-T259 PolarHBondContact O-N 2.95Å; D257-T259 VanDerWaalsContact C-N 3.28Å; D257-T259 PolarHBondContact O-N 3.42Å; T259-E261 VanDerWaalsContact C-N 3.35Å; T259-E262 PolarHBondContact O-N 3.42Å; T259-S263 PolarHBondContact O-N 3.06Å; T259-S263 PolarHBondContact O-OG 2.81Å; T259-V337 HydrophobicContact CG2-CB 4.05Å; T259-V337 HydrophobicContact CG2-CG1 3.33Å; T259-K341 VanDerWaalsContact CA-NZ 3.27Å; T259-K341 WeakPolarHBondContact OG1-CD 3.04Å; T259-K341 WeakPolarHBondContact OG1-CE 3.49Å; T259-K341 PolarHBondContact OG1-NZ 3.42Å; T259-K341 VanDerWaalsContact OG1-NZ 3.14Å
260	N	81.3	Confident	72.1	Confident	100 Å²	100	90.9 Å²	90.9	54%	0.535	47%	0.472	S	S	.	.	H	α-helix	trans	-68.9	-36.4	179.4	-67.2	-21.5	0	0	0	111.1	R256 D257 S263	R256-N260 PolarHBondContact O-N 3.32Å; R256-N260 PolarHBondContact O-ND2 3Å; D257-N260 PolarHBondContact O-N 3.41Å; N260-S263 CarbonylContact O-C 3.44Å; N260-S263 PolarHBondContact O-N 2.71Å
261	E	79.7	Confident	69.6	Low	151 Å²	151	92 Å²	92	71%	0.706	48%	0.475	S	S	*	.	H	α-helix	trans	-66.5	-40.3	174.5	-73	-176.6	170.9	0	0	113	D257 T259 S263	D257-E261 WeakPolarHBondContact O-CG 3.33Å; D257-E261 PolarHBondContact O-N 3.26Å; T259-E261 VanDerWaalsContact C-N 3.35Å; E261-S263 VanDerWaalsContact C-N 3.27Å; E261-S263 PolarHBondContact O-N 3.26Å
262	E	75.3	Confident	66.7	Low	133 Å²	133	92.6 Å²	92.6	62%	0.621	49%	0.49	S	S	*	.	H	α-helix	trans	-70.3	-21.3	177.7	-74.2	167.2	-168.2	0	0	113.3	L258 T259 K341	L258-E262 VanDerWaalsContact O-CG 3.28Å; L258-E262 WeakPolarHBondContact O-CG 3.48Å; L258-E262 PolarHBondContact O-N 3.22Å; L258-E262 VanDerWaalsContact O-N 3.15Å; T259-E262 PolarHBondContact O-N 3.42Å; E262-K341 IonicContact OE1-NZ 3.32Å; E262-K341 PolarHBondContact OE1-NZ 2.88Å; E262-K341 WeakPolarHBondContact OE2-CE 3.42Å; E262-K341 IonicContact OE2-NZ 3.42Å; E262-K341 PolarHBondContact OE2-NZ 3.39Å
263	S	61.3	Low	63.6	Low	38 Å²	38	98.2 Å²	98.2	27%	0.266	53%	0.528	S	S	.	.			trans	-142.8	62.1	-171.8	-21.6	0	0	0	0	113.2	T259 N260 E261 D265 K266	T259-S263 PolarHBondContact O-N 3.06Å; T259-S263 PolarHBondContact O-OG 2.81Å; N260-S263 CarbonylContact O-C 3.44Å; N260-S263 PolarHBondContact O-N 2.71Å; E261-S263 VanDerWaalsContact C-N 3.27Å; E261-S263 PolarHBondContact O-N 3.26Å; S263-D265 PolarHBondContact O-N 3.07Å; S263-K266 PolarHBondContact O-N 3.11Å; S263-K266 VanDerWaalsContact O-N 3.1Å
264	P	54.3	Low	61.3	Low	108 Å²	108	101.3 Å²	101.3	70%	0.701	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.7	-176.8	21.7	-32	0	0	0	113.2
265	D	47	Very low	58.4	Low	129 Å²	129	107.5 Å²	107.5	69%	0.69	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-2.6	-177.7	-101.2	-14.2	0	0	0	115.6	S263	S263-D265 PolarHBondContact O-N 3.07Å
266	K	46.9	Very low	55.6	Low	174 Å²	174	118.3 Å²	118.3	76%	0.757	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-8.1	178	-68.8	-174.4	179.9	177.7	0	113.9	S263	S263-K266 PolarHBondContact O-N 3.11Å; S263-K266 VanDerWaalsContact O-N 3.1Å
267	G	39.8	Very low	53.2	Low	63 Å²	63	125 Å²	125	65%	0.649	64%	0.637	S	S	*	*	S	Bend	trans	-83.1	-15.3	176.7	0	0	0	0	0	114.3
268	L	36.9	Very low	50.7	Low	130 Å²	130	132.8 Å²	132.8	68%	0.681	66%	0.661	S	S	*	*	S	Bend	trans	-89.5	120.2	164	-71.3	164.5	0	0	0	106.9	Q270	L268-Q270 PolarHBondContact O-N 2.89Å
269	V	36.9	Very low	48.1	Very low	123 Å²	123	140.6 Å²	140.6	75%	0.745	69%	0.685	S	S	*	*			trans	-44.1	110.1	168.3	178.8	0	0	0	0	107.5	R271	V269-R271 PolarHBondContact O-N 3.19Å
270	Q	32.3	Very low	45.7	Very low	168 Å²	168	150.1 Å²	150.1	79%	0.785	72%	0.719	S	S	*	*			trans	-63.9	96.9	170.1	-80.8	-172	1.5	0	0	106.2	L268 A272	L268-Q270 PolarHBondContact O-N 2.89Å; Q270-A272 PolarHBondContact O-N 3.11Å
271	R	43	Very low	43.3	Very low	186 Å²	186	151 Å²	151	70%	0.702	73%	0.731	S	S	*	*			trans	-56.5	123.2	171.4	-81.7	178.5	158.1	179.2	-8.6	107.5	D16 V269	D16-R271 IonicContact OD1-NH2 3.82Å; D16-R271 IonicContact OD2-NH2 2.72Å; D16-R271 PolarHBondContact OD2-NH2 3.19Å; V269-R271 PolarHBondContact O-N 3.19Å
272	A	34.6	Very low	41.2	Very low	80 Å²	80	155.2 Å²	155.2	66%	0.661	74%	0.741	S	S	*	*			trans	-57.2	134.8	152.8	0	0	0	0	0	107.1	Q270 Q274	Q270-A272 PolarHBondContact O-N 3.11Å; A272-Q274 PolarHBondContact O-N 3.01Å
273	P	29.6	Very low	39.3	Very low	126 Å²	126	160.3 Å²	160.3	82%	0.818	75%	0.754	S	S	*	*			trans	-64.4	99.9	178.4	24.3	-30.4	0	0	0	108.7	K275	P273-K275 PolarHBondContact O-N 3.23Å
274	Q	43.9	Very low	38	Very low	146 Å²	146	169.7 Å²	169.7	68%	0.682	78%	0.784	S	S	*	*			trans	-64.7	118.1	170.3	-75.2	-175.2	-14.7	0	0	107.8	A272 R276	A272-Q274 PolarHBondContact O-N 3.01Å; Q274-R276 PolarHBondContact O-N 2.89Å
275	K	34.3	Very low	37.2	Very low	185 Å²	185	174.9 Å²	174.9	80%	0.804	79%	0.79	S	S	*	*			trans	-54.1	114.8	174.1	-70.1	177.6	-179	172.8	0	107.7	P273 K277	P273-K275 PolarHBondContact O-N 3.23Å; K275-K277 PolarHBondContact O-N 3.2Å
276	R	34.6	Very low	36.7	Very low	248 Å²	248	175.8 Å²	175.8	94%	0.936	79%	0.793	S	S	*	*			trans	-46.2	107.4	172.1	-86.5	178.2	164.7	174.9	-3.8	109.3	Q274 R278	Q274-R276 PolarHBondContact O-N 2.89Å; R276-R278 PolarHBondContact O-N 2.95Å; R276-R278 VanDerWaalsContact O-N 3.11Å
277	K	40	Very low	36.3	Very low	168 Å²	168	172.8 Å²	172.8	73%	0.73	79%	0.785	S	S	*	*			trans	-63.5	115	171.1	-74.8	178.9	-178	167.6	0	107.2	E9 K275 R279	E9-K277 IonicContact OE1-NZ 3.73Å; E9-K277 PolarHBondContact OE1-NZ 3.46Å; K275-K277 PolarHBondContact O-N 3.2Å; K277-R279 PolarHBondContact O-N 2.94Å
278	R	37.5	Very low	36.3	Very low	243 Å²	243	175 Å²	175	92%	0.917	79%	0.786	S	S	*	*			trans	-54.1	125.3	171.5	-88.6	178.3	162.6	176.9	-4.2	108	R276 R280	R276-R278 PolarHBondContact O-N 2.95Å; R276-R278 VanDerWaalsContact O-N 3.11Å; R278-R280 PolarHBondContact O-N 3.18Å; R278-R280 VanDerWaalsContact O-N 3.1Å
279	R	35.2	Very low	36.7	Very low	239 Å²	239	174.9 Å²	174.9	90%	0.902	78%	0.777	S	S	*	*			trans	-47.7	118.2	171.5	-85.5	178.3	158.5	179.7	-5.6	109.2	K277 C281	K277-R279 PolarHBondContact O-N 2.94Å; R279-C281 PolarHBondContact O-N 3.27Å
280	R	36	Very low	37	Very low	215 Å²	215	173.7 Å²	173.7	81%	0.811	77%	0.77	S	S	*	*			trans	-64.6	98.8	165.1	-90	-178	168.1	-177.3	-5.8	107.9	R278 R282	R278-R280 PolarHBondContact O-N 3.18Å; R278-R280 VanDerWaalsContact O-N 3.1Å; R280-R282 PolarHBondContact O-N 3Å
281	C	30.5	Very low	37.2	Very low	117 Å²	117	172.7 Å²	172.7	79%	0.791	76%	0.764	S	S	*	*			trans	-64.5	100.9	165.3	-80.6	0	0	0	0	108.3	R279 R283	R279-C281 PolarHBondContact O-N 3.27Å; C281-R283 PolarHBondContact O-N 3.3Å
282	R	35.8	Very low	37.3	Very low	241 Å²	241	169.6 Å²	169.6	91%	0.909	77%	0.765	S	S	*	*			trans	-66.3	97.2	163.7	-81.9	-175.3	170.3	-177.1	-2.5	108.1	R280 R284	R280-R282 PolarHBondContact O-N 3Å; R282-R284 PolarHBondContact O-N 3.29Å
283	R	34.9	Very low	38.3	Very low	240 Å²	240	168.5 Å²	168.5	91%	0.906	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-68	122.7	164.1	-90	-177.1	171.8	177.7	-2.2	107.8	C281 R285	C281-R283 PolarHBondContact O-N 3.3Å; R283-R285 PolarHBondContact O-N 3.05Å
284	R	34.9	Very low	39.2	Very low	234 Å²	234	170.8 Å²	170.8	88%	0.883	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-59.8	126	175.8	-73.1	177.6	173.5	177.6	-3.1	108.8	R282 I286	R282-R284 PolarHBondContact O-N 3.29Å; R284-I286 PolarHBondContact O-N 3.35Å
285	R	37.3	Very low	38.9	Very low	218 Å²	218	171.1 Å²	171.1	82%	0.823	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-58.9	119.8	164.9	-80.9	-175.5	172.8	-178.9	-3.9	107.9	R283	R283-R285 PolarHBondContact O-N 3.05Å
286	I	36.1	Very low	39.1	Very low	147 Å²	147	166.5 Å²	166.5	75%	0.754	75%	0.752	S	S	*	*			trans	-89.7	111.1	171.7	-65.1	171.4	0	0	0	105.9	R284 T288	R284-I286 PolarHBondContact O-N 3.35Å; I286-T288 PolarHBondContact O-N 2.88Å
287	N	38.1	Very low	39.5	Very low	112 Å²	112	160.3 Å²	160.3	60%	0.599	74%	0.736	S	S	*	*			trans	-78.9	112.4	169	-76.3	0.2	0	0	0	108.1	Y289	N287-Y289 HydrophobicContact CB-CE2 4.19Å
288	T	39.1	Very low	39.5	Very low	108 Å²	108	157 Å²	157	66%	0.663	73%	0.731	S	S	*	*			trans	-83.5	125.1	171.8	-54.2	0	0	0	0	108.8	I286	I286-T288 PolarHBondContact O-N 2.88Å
289	Y	46.8	Very low	39.6	Very low	129 Å²	129	153.4 Å²	153.4	51%	0.506	73%	0.725	S	S	.	*			trans	-102.3	130.5	176.4	-61	-81.6	0	0	0	109.8	N287 L296	N287-Y289 HydrophobicContact CB-CE2 4.19Å; Y289-L296 HydrophobicContact CD1-CD2 3.48Å; Y289-L296 VanDerWaalsContact CD1-CD2 3.48Å; Y289-L296 HydrophobicContact CD1-CG 4.46Å; Y289-L296 HydrophobicContact CE1-CD2 3.95Å; Y289-L296 HydrophobicContact CG-CD2 4.2Å
290	V	42.4	Very low	39.9	Very low	98 Å²	98	146.6 Å²	146.6	59%	0.594	72%	0.72	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111	129.5	174.5	-175.8	0	0	0	0	108.7
291	F	37.8	Very low	40.2	Very low	147 Å²	147	142.2 Å²	142.2	65%	0.645	72%	0.717	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.3	128.1	175.5	-88.4	-93.5	0	0	0	110.5	L296	F291-L296 HydrophobicContact CE1-CD1 4.07Å; F291-L296 HydrophobicContact CE2-CD1 3.82Å; F291-L296 HydrophobicContact CZ-CD1 3.54Å
292	V	43.5	Very low	40.7	Very low	121 Å²	121	145.1 Å²	145.1	73%	0.733	72%	0.719	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.5	95.3	166.9	-174.1	0	0	0	0	107.4
293	G	56.6	Low	41.2	Very low	56 Å²	56	136.1 Å²	136.1	58%	0.577	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.7	-155.3	-170.8	0	0	0	0	0	113.4	Q295	G293-Q295 PolarHBondContact O-N 2.83Å
294	N	47.7	Very low	41.6	Very low	174 Å²	174	132.1 Å²	132.1	93%	0.93	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	20.4	-175.3	-77.5	18.8	0	0	0	114.7
295	Q	38.3	Very low	42.2	Very low	154 Å²	154	127.9 Å²	127.9	72%	0.72	68%	0.675	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131	142.5	174.7	-72.3	-173.2	-0.1	0	0	111.9	G293	G293-Q295 PolarHBondContact O-N 2.83Å
296	L	39.1	Very low	42.5	Very low	88 Å²	88	120.6 Å²	120.6	46%	0.461	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.5	114.4	-173	-160.8	139.5	0	0	0	108.6	Y289 F291	Y289-L296 HydrophobicContact CD1-CD2 3.48Å; Y289-L296 VanDerWaalsContact CD1-CD2 3.48Å; Y289-L296 HydrophobicContact CD1-CG 4.46Å; Y289-L296 HydrophobicContact CE1-CD2 3.95Å; Y289-L296 HydrophobicContact CG-CD2 4.2Å; F291-L296 HydrophobicContact CE1-CD1 4.07Å; F291-L296 HydrophobicContact CE2-CD1 3.82Å; F291-L296 HydrophobicContact CZ-CD1 3.54Å
297	I	42.4	Very low	43	Very low	118 Å²	118	120.5 Å²	120.5	61%	0.605	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.8	121.6	-178.5	-56	176.6	0	0	0	108.5
298	P	40.1	Very low	43.4	Very low	97 Å²	97	123.6 Å²	123.6	63%	0.63	65%	0.652	S	S	*	*			trans	-74.7	124.3	170.8	-5.2	21.3	0	0	0	109.6
299	Q	40	Very low	44	Very low	168 Å²	168	122 Å²	122	79%	0.785	64%	0.638	S	S	*	*			trans	-109.5	116.7	169.6	-139.8	178.3	7.1	0	0	108.5
300	A	41.3	Very low	44.1	Very low	96 Å²	96	122.2 Å²	122.2	79%	0.793	64%	0.644	S	S	*	*			trans	-81	114.5	167.2	0	0	0	0	0	107.2
301	V	42.2	Very low	44.2	Very low	124 Å²	124	123.5 Å²	123.5	75%	0.752	64%	0.643	S	S	*	*			trans	-96.1	103.5	171.1	-148.3	0	0	0	0	105.4	S303	V301-S303 PolarHBondContact O-N 3.24Å
302	E	39.7	Very low	44.6	Very low	178 Å²	178	123 Å²	123	83%	0.832	64%	0.643	S	S	*	*			trans	-72.9	108.7	167.3	-73.4	176.3	172	0	0	106.6
303	S	46.8	Very low	44.8	Very low	52 Å²	52	122 Å²	122	36%	0.364	63%	0.631	S	S	.	*			trans	-85.6	147.2	179	53.4	0	0	0	0	110.3	V301 E305 D306	V301-S303 PolarHBondContact O-N 3.24Å; S303-E305 PolarHBondContact O-N 2.92Å; S303-D306 PolarHBondContact O-N 3.27Å
304	E	42.9	Very low	44.3	Very low	156 Å²	156	125.9 Å²	125.9	73%	0.729	63%	0.633	S	S	*	*	H	α-helix	trans	-54.8	-10.5	173.1	-63.8	-169.9	172.1	0	0	114.2
305	E	47.2	Very low	44.2	Very low	145 Å²	145	123.9 Å²	123.9	68%	0.678	62%	0.616	S	S	*	*	H	α-helix	trans	-71.2	-30.5	170	-65.2	-170.9	162.6	0	0	112.8	S303 I309	S303-E305 PolarHBondContact O-N 2.92Å; E305-I309 VanDerWaalsContact O-CD1 3.26Å; E305-I309 WeakPolarHBondContact O-CD1 3.48Å; E305-I309 WeakPolarHBondContact O-CG1 3Å; E305-I309 PolarHBondContact O-N 2.97Å
306	D	44.8	Very low	44.4	Very low	64 Å²	64	121.4 Å²	121.4	34%	0.342	61%	0.605	S	S	.	*	H	α-helix	trans	-72.3	-38.3	-178.8	-76.9	-37.8	0	0	0	111.7	S303 I309 E310	S303-D306 PolarHBondContact O-N 3.27Å; D306-I309 PolarHBondContact O-N 3.07Å; D306-E310 PolarHBondContact O-N 2.91Å; D306-E310 VanDerWaalsContact O-N 3.11Å
307	E	46	Very low	44.8	Very low	146 Å²	146	120.8 Å²	120.8	68%	0.682	61%	0.605	S	S	*	*	H	α-helix	trans	-66.3	-38.6	175.3	-71	-172.8	165	0	0	112.1	I309 E310 E311	E307-I309 VanDerWaalsContact C-N 3.27Å; E307-I309 PolarHBondContact O-N 3.35Å; E307-E310 PolarHBondContact O-N 3.48Å; E307-E311 PolarHBondContact O-N 3.24Å; E307-E311 VanDerWaalsContact O-N 3.11Å
308	R	47.1	Very low	44.7	Very low	176 Å²	176	120.7 Å²	120.7	66%	0.664	60%	0.601	S	S	*	*	H	α-helix	trans	-64.8	-32	174.3	-72	-176.1	-168.4	-128.2	1.9	112.5	E312	R308-E312 PolarHBondContact O-N 3.39Å
309	I	51.5	Low	44.8	Very low	75 Å²	75	122.4 Å²	122.4	39%	0.385	60%	0.601	S	S	.	*	H	α-helix	trans	-73.2	-35	177.9	-69.5	162.8	0	0	0	111.2	E305 D306 E307 Q313	E305-I309 VanDerWaalsContact O-CD1 3.26Å; E305-I309 WeakPolarHBondContact O-CD1 3.48Å; E305-I309 WeakPolarHBondContact O-CG1 3Å; E305-I309 PolarHBondContact O-N 2.97Å; D306-I309 PolarHBondContact O-N 3.07Å; E307-I309 VanDerWaalsContact C-N 3.27Å; E307-I309 PolarHBondContact O-N 3.35Å; I309-Q313 WeakPolarHBondContact O-CB 3.43Å; I309-Q313 VanDerWaalsContact O-CG 3.29Å; I309-Q313 WeakPolarHBondContact O-CG 3.35Å; I309-Q313 PolarHBondContact O-N 2.76Å
310	E	49	Very low	45.1	Very low	133 Å²	133	119.4 Å²	119.4	62%	0.621	59%	0.585	S	S	*	*	H	α-helix	trans	-68.8	-38.6	174	-72.1	-171	169.4	0	0	111.8	D306 E307 Q313 H314	D306-E310 PolarHBondContact O-N 2.91Å; D306-E310 VanDerWaalsContact O-N 3.11Å; E307-E310 PolarHBondContact O-N 3.48Å; E310-Q313 PolarHBondContact O-N 3.31Å; E310-H314 WeakPolarHBondContact O-CB 3.38Å; E310-H314 PolarHBondContact O-N 3.15Å
311	E	44.4	Very low	45	Very low	125 Å²	125	120.4 Å²	120.4	58%	0.584	57%	0.574	S	S	*	*	H	α-helix	trans	-66.4	-39.7	173.8	-74.2	-169	164.8	0	0	113.1	E307 H314 K315	E307-E311 PolarHBondContact O-N 3.24Å; E307-E311 VanDerWaalsContact O-N 3.11Å; E311-H314 PolarHBondContact O-N 2.96Å; E311-K315 WeakPolarHBondContact O-CG 3.41Å; E311-K315 PolarHBondContact O-N 3.02Å
312	E	46.8	Very low	44.8	Very low	138 Å²	138	120.7 Å²	120.7	65%	0.645	57%	0.567	S	S	*	*	H	α-helix	trans	-66.8	-37.4	173.7	-80.3	-171.2	170.2	0	0	112	R308 K315 E316	R308-E312 PolarHBondContact O-N 3.39Å; E312-K315 PolarHBondContact O-N 3.27Å; E312-E316 PolarHBondContact O-N 2.97Å
313	Q	47.6	Very low	44.8	Very low	99 Å²	99	119 Å²	119	46%	0.463	56%	0.559	S	S	.	*	H	α-helix	trans	-67.5	-38.8	174.9	-77.3	-179.7	40.3	0	0	112.2	I309 E310 E316 V317	I309-Q313 WeakPolarHBondContact O-CB 3.43Å; I309-Q313 VanDerWaalsContact O-CG 3.29Å; I309-Q313 WeakPolarHBondContact O-CG 3.35Å; I309-Q313 PolarHBondContact O-N 2.76Å; E310-Q313 PolarHBondContact O-N 3.31Å; Q313-E316 PolarHBondContact O-N 2.72Å; Q313-V317 VanDerWaalsContact O-CG2 3.23Å; Q313-V317 WeakPolarHBondContact O-CG2 3.36Å; Q313-V317 PolarHBondContact O-N 2.95Å
314	H	46.2	Very low	44.6	Very low	138 Å²	138	124.8 Å²	124.8	64%	0.639	57%	0.573	S	S	*	*	H	α-helix	trans	-65.9	-40.5	175.4	-97.4	-74.3	0	0	0	112	E310 E311 V317 Q318	E310-H314 WeakPolarHBondContact O-CB 3.38Å; E310-H314 PolarHBondContact O-N 3.15Å; E311-H314 PolarHBondContact O-N 2.96Å; H314-V317 PolarHBondContact O-N 3.01Å; H314-Q318 WeakPolarHBondContact O-CB 3.28Å; H314-Q318 PolarHBondContact O-N 3.47Å
315	K	44.8	Very low	44.4	Very low	131 Å²	131	124.4 Å²	124.4	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-65.3	-41.5	174.6	-75.4	174.3	-179.5	166.9	0	112.6	E311 E312 V317 Q318 E319	E311-K315 WeakPolarHBondContact O-CG 3.41Å; E311-K315 PolarHBondContact O-N 3.02Å; E312-K315 PolarHBondContact O-N 3.27Å; K315-V317 VanDerWaalsContact C-N 3.31Å; K315-V317 PolarHBondContact O-N 2.78Å; K315-Q318 PolarHBondContact O-N 3.15Å; K315-E319 PolarHBondContact O-N 3.4Å
316	E	43.2	Very low	44	Very low	103 Å²	103	124.9 Å²	124.9	48%	0.481	58%	0.581	S	S	.	*	H	α-helix	trans	-65.5	-30.3	174.6	-85	-163.7	173.8	0	0	113.4	E312 Q313 K320	E312-E316 PolarHBondContact O-N 2.97Å; Q313-E316 PolarHBondContact O-N 2.72Å; E316-K320 WeakPolarHBondContact O-CB 3.39Å; E316-K320 WeakPolarHBondContact O-CD 3.22Å; E316-K320 WeakPolarHBondContact O-CG 2.96Å; E316-K320 PolarHBondContact O-N 3.28Å; E316-K320 IonicContact OE2-NZ 2.71Å
317	V	47.3	Very low	43.4	Very low	75 Å²	75	124 Å²	124	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-74.8	-39	175.9	171.9	0	0	0	0	110.4	Q313 H314 K315 K320 E321	Q313-V317 VanDerWaalsContact O-CG2 3.23Å; Q313-V317 WeakPolarHBondContact O-CG2 3.36Å; Q313-V317 PolarHBondContact O-N 2.95Å; H314-V317 PolarHBondContact O-N 3.01Å; K315-V317 VanDerWaalsContact C-N 3.31Å; K315-V317 PolarHBondContact O-N 2.78Å; V317-K320 PolarHBondContact O-N 3.24Å; V317-E321 PolarHBondContact O-N 3.03Å
318	Q	40.8	Very low	42.8	Very low	115 Å²	115	122.7 Å²	122.7	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-70.8	-41.8	179.7	-152.5	165.7	13.5	0	0	111.8	H314 K315 K320 E321 E322	H314-Q318 WeakPolarHBondContact O-CB 3.28Å; H314-Q318 PolarHBondContact O-N 3.47Å; K315-Q318 PolarHBondContact O-N 3.15Å; Q318-K320 VanDerWaalsContact C-N 3.28Å; Q318-K320 PolarHBondContact O-N 3.1Å; Q318-E321 PolarHBondContact O-N 3.43Å; Q318-E321 VanDerWaalsContact O-N 3.11Å; Q318-E322 PolarHBondContact O-N 3.18Å
319	E	41.1	Very low	42.2	Very low	133 Å²	133	121.3 Å²	121.3	62%	0.621	60%	0.599	S	S	*	*	H	α-helix	trans	-63.1	-32.5	171.2	-77.7	-177.6	167.6	0	0	112.2	K315 E323	K315-E319 PolarHBondContact O-N 3.4Å; E319-E323 WeakPolarHBondContact O-CB 3.46Å; E319-E323 PolarHBondContact O-N 2.87Å
320	K	45.7	Very low	41.2	Very low	105 Å²	105	125.8 Å²	125.8	46%	0.457	62%	0.618	S	S	.	*	H	α-helix	trans	-74.8	-24.3	173.2	-78.3	171.9	-171.4	148.2	0	113.7	E316 V317 Q318 R324	E316-K320 WeakPolarHBondContact O-CB 3.39Å; E316-K320 WeakPolarHBondContact O-CD 3.22Å; E316-K320 WeakPolarHBondContact O-CG 2.96Å; E316-K320 PolarHBondContact O-N 3.28Å; E316-K320 IonicContact OE2-NZ 2.71Å; V317-K320 PolarHBondContact O-N 3.24Å; Q318-K320 VanDerWaalsContact C-N 3.28Å; Q318-K320 PolarHBondContact O-N 3.1Å; K320-R324 WeakPolarHBondContact O-CB 3.33Å; K320-R324 VanDerWaalsContact O-CG 3.24Å; K320-R324 WeakPolarHBondContact O-CG 3.38Å; K320-R324 PolarHBondContact O-N 2.65Å; K320-R324 PolarHBondContact O-NE 3.02Å
321	E	40.9	Very low	40.6	Very low	117 Å²	117	126 Å²	126	55%	0.547	62%	0.622	S	S	.	*	H	α-helix	trans	-78.9	-39.6	172.2	-78.8	-176.4	169.6	0	0	110.9	V317 Q318 R324	V317-E321 PolarHBondContact O-N 3.03Å; Q318-E321 PolarHBondContact O-N 3.43Å; Q318-E321 VanDerWaalsContact O-N 3.11Å; E321-R324 PolarHBondContact O-N 3.06Å; E321-R324 IonicContact OE1-NH2 3.32Å
322	E	37.8	Very low	40.2	Very low	130 Å²	130	127.3 Å²	127.3	61%	0.607	63%	0.632	S	S	*	*	H	α-helix	trans	-72.1	-35.3	175.8	-70	-178	174.1	0	0	112.8	Q318 R324 D325	Q318-E322 PolarHBondContact O-N 3.18Å; E322-R324 VanDerWaalsContact C-N 3.27Å; E322-R324 PolarHBondContact O-N 2.79Å; E322-D325 PolarHBondContact O-N 3.37Å
323	E	39.1	Very low	39.9	Very low	144 Å²	144	129.4 Å²	129.4	67%	0.673	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-22.5	170.8	-86.5	-166	155.3	0	0	113.1	E319 D325	E319-E323 WeakPolarHBondContact O-CB 3.46Å; E319-E323 PolarHBondContact O-N 2.87Å; E323-D325 VanDerWaalsContact C-N 3.3Å
324	R	42.5	Very low	40.2	Very low	172 Å²	172	127.4 Å²	127.4	65%	0.649	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-16.9	176.8	-87	-177.4	-75.8	176.5	1.7	113.1	K320 E321 E322	K320-R324 WeakPolarHBondContact O-CB 3.33Å; K320-R324 VanDerWaalsContact O-CG 3.24Å; K320-R324 WeakPolarHBondContact O-CG 3.38Å; K320-R324 PolarHBondContact O-N 2.65Å; K320-R324 PolarHBondContact O-NE 3.02Å; E321-R324 PolarHBondContact O-N 3.06Å; E321-R324 IonicContact OE1-NH2 3.32Å; E322-R324 VanDerWaalsContact C-N 3.27Å; E322-R324 PolarHBondContact O-N 2.79Å
325	D	37.9	Very low	41.1	Very low	148 Å²	148	125.6 Å²	125.6	79%	0.791	64%	0.638	S	S	*	*	S	Bend	trans	-98.7	-4.7	-175.7	-140.5	15	0	0	0	113.6	E322 E323	E322-D325 PolarHBondContact O-N 3.37Å; E323-D325 VanDerWaalsContact C-N 3.3Å
326	I	39.5	Very low	42.8	Very low	155 Å²	155	120.6 Å²	120.6	80%	0.795	62%	0.618	S	S	*	*	S	Bend	trans	-120.5	55.2	179.7	-42.6	174.7	0	0	0	111.1
327	G	32	Very low	44.8	Very low	46 Å²	46	119 Å²	119	47%	0.474	62%	0.615	S	S	.	*			trans	-178.8	72.7	176.4	0	0	0	0	0	110.2	I329	G327-I329 PolarHBondContact O-N 2.92Å
328	S	32.7	Very low	46.9	Very low	119 Å²	119	115.9 Å²	115.9	83%	0.832	60%	0.596	S	S	*	*			trans	-40.6	109.1	160.9	35.8	0	0	0	0	108.5	E330	S328-E330 PolarHBondContact O-N 2.86Å
329	I	35.3	Very low	49.2	Very low	146 Å²	146	112.2 Å²	112.2	75%	0.749	58%	0.577	S	S	*	*			trans	-60	91.3	174.3	-60.5	171.2	0	0	0	105.9	G327 I331	G327-I329 PolarHBondContact O-N 2.92Å; I329-I331 HydrophobicContact CG2-CG1 3.6Å; I329-I331 PolarHBondContact O-N 2.99Å
330	E	30.2	Very low	51.5	Low	170 Å²	170	109.8 Å²	109.8	79%	0.794	57%	0.568	S	S	*	*			trans	-64.9	89.7	153.3	-84.4	-172.9	155.6	0	0	105.5	S328 L332	S328-E330 PolarHBondContact O-N 2.86Å; E330-L332 PolarHBondContact O-N 3.19Å
331	I	36.9	Very low	53.7	Low	136 Å²	136	106.4 Å²	106.4	70%	0.697	55%	0.554	S	S	*	*			trans	-57.6	94.9	155.1	-57	177.4	0	0	0	103.6	I329 K333	I329-I331 HydrophobicContact CG2-CG1 3.6Å; I329-I331 PolarHBondContact O-N 2.99Å; I331-K333 PolarHBondContact O-N 3.46Å
332	L	34.9	Very low	56.1	Low	153 Å²	153	100.9 Å²	100.9	80%	0.801	53%	0.527	S	S	*	.			trans	-55.5	93	166.3	-81.2	161.1	0	0	0	105.4	E330 A334	E330-L332 PolarHBondContact O-N 3.19Å; L332-A334 PolarHBondContact O-N 2.88Å
333	K	41.7	Very low	58.7	Low	182 Å²	182	98 Å²	98	79%	0.791	52%	0.515	S	S	*	.			trans	-50.5	113.7	170.7	-86	-178.8	175.3	177.3	0	105.1	I331 V335	I331-K333 PolarHBondContact O-N 3.46Å; K333-V335 PolarHBondContact O-N 2.8Å
334	A	53.7	Low	61.3	Low	58 Å²	58	96.7 Å²	96.7	48%	0.479	52%	0.517	S	S	.	.			trans	-55.3	109.5	175.4	0	0	0	0	0	106.8	L332 N336	L332-A334 PolarHBondContact O-N 2.88Å; A334-N336 PolarHBondContact O-N 3.26Å
335	V	63.9	Low	63.7	Low	100 Å²	100	90.8 Å²	90.8	61%	0.606	50%	0.498	S	S	*	.			trans	-57.8	125	-177.2	176.8	0	0	0	0	107.7	K333 V337 D340	K333-V335 PolarHBondContact O-N 2.8Å; V335-V337 VanDerWaalsContact C-N 3.27Å; V335-V337 WeakPolarHBondContact O-CG2 3.33Å; V335-V337 PolarHBondContact O-N 2.71Å; V335-D340 WeakPolarHBondContact CG1-OD2 3.42Å
336	N	81.1	Confident	66.4	Low	26 Å²	26	90 Å²	90	14%	0.139	50%	0.501	C	S	.	.			trans	-75.8	84	179.2	-172	-25	0	0	0	109.3	D136 A334 L338 R339 D340	D136-N336 PolarHBondContact OD2-ND2 3.06Å; A334-N336 PolarHBondContact O-N 3.26Å; N336-L338 PolarHBondContact O-N 2.88Å; N336-R339 HydrophobicContact CB-CB 4.03Å; N336-R339 WeakPolarHBondContact O-CB 3.48Å; N336-R339 PolarHBondContact O-N 2.72Å; N336-R339 PolarHBondContact OD1-N 2.83Å; N336-D340 PolarHBondContact O-N 3.04Å; N336-D340 VanDerWaalsContact O-N 3.11Å
337	V	86.3	Confident	69	Low	69 Å²	69	85.6 Å²	85.6	42%	0.418	48%	0.479	S	S	.	.	H	α-helix	trans	-60	-34.8	-171.7	-167.8	0	0	0	0	112.2	T259 V335 R339 D340 K341	T259-V337 HydrophobicContact CG2-CB 4.05Å; T259-V337 HydrophobicContact CG2-CG1 3.33Å; V335-V337 VanDerWaalsContact C-N 3.27Å; V335-V337 WeakPolarHBondContact O-CG2 3.33Å; V335-V337 PolarHBondContact O-N 2.71Å; V337-R339 VanDerWaalsContact C-N 3.34Å; V337-D340 PolarHBondContact O-N 2.8Å; V337-K341 WeakPolarHBondContact O-CG 3.38Å; V337-K341 PolarHBondContact O-N 2.78Å
338	L	89.8	Confident	72.1	Confident	9 Å²	9	87.1 Å²	87.1	5%	0.047	48%	0.48	C	S	.	.	H	α-helix	trans	-64	-42.2	176.5	-179.5	61	0	0	0	110.9	D136 R252 L255 R256 N336 K341 I342	D136-L338 HydrophobicContact CB-CB 4.28Å; D136-L338 HydrophobicContact CB-CD2 3.96Å; D136-L338 WeakPolarHBondContact O-CD2 3.44Å; R252-L338 HydrophobicContact CB-CD2 4.44Å; L255-L338 HydrophobicContact CB-CD1 3.59Å; L255-L338 HydrophobicContact CD1-CD1 4.23Å; R256-L338 HydrophobicContact CG-CD1 4.18Å; R256-L338 HydrophobicContact CG-CD2 4.2Å; N336-L338 PolarHBondContact O-N 2.88Å; L338-K341 PolarHBondContact O-N 3.1Å; L338-I342 HydrophobicContact CD1-CD1 4.16Å; L338-I342 HydrophobicContact CD1-CG1 4.41Å; L338-I342 HydrophobicContact CG-CD1 3.92Å; L338-I342 VanDerWaalsContact O-CG1 3.3Å; L338-I342 WeakPolarHBondContact O-CG1 3.49Å; L338-I342 PolarHBondContact O-N 2.83Å
339	R	89.6	Confident	75	Confident	39 Å²	39	87 Å²	87	15%	0.147	47%	0.467	C	S	.	.	H	α-helix	trans	-60.6	-50.3	176	-178.8	-180	-172.9	94.5	1.7	111.2	N336 V337 K341 I342 M343 L356 R359 D360 K361	N336-R339 HydrophobicContact CB-CB 4.03Å; N336-R339 WeakPolarHBondContact O-CB 3.48Å; N336-R339 PolarHBondContact O-N 2.72Å; N336-R339 PolarHBondContact OD1-N 2.83Å; V337-R339 VanDerWaalsContact C-N 3.34Å; R339-K341 VanDerWaalsContact C-N 3.27Å; R339-K341 PolarHBondContact O-N 3.04Å; R339-I342 PolarHBondContact O-N 3.2Å; R339-M343 HydrophobicContact CG-CG 4.24Å; R339-M343 WeakPolarHBondContact O-CG 3.34Å; R339-M343 PolarHBondContact O-N 3.11Å; R339-L356 HydrophobicContact CB-CD2 3.95Å; R339-L356 HydrophobicContact CG-CD1 4.21Å; R339-L356 HydrophobicContact CG-CD2 3.79Å; R339-R359 PolarHBondContact NH1-O 3.11Å; R339-R359 PolarHBondContact NH2-O 3.3Å; R339-D360 PolarHBondContact NH2-O 2.89Å; R339-K361 WeakPolarHBondContact CD-O 3.44Å; R339-K361 PolarHBondContact NE-O 3.3Å; R339-K361 PolarHBondContact NH1-O 3.17Å
340	D	89.9	Confident	77.9	Confident	81 Å²	81	84 Å²	84	43%	0.433	46%	0.459	S	S	.	.	H	α-helix	trans	-57.9	-42.8	-180	-68.8	-15.5	0	0	0	111.4	V335 N336 V337 M343 T344	V335-D340 WeakPolarHBondContact CG1-OD2 3.42Å; N336-D340 PolarHBondContact O-N 3.04Å; N336-D340 VanDerWaalsContact O-N 3.11Å; V337-D340 PolarHBondContact O-N 2.8Å; D340-M343 PolarHBondContact O-N 3.25Å; D340-T344 WeakPolarHBondContact O-CG2 3.28Å; D340-T344 PolarHBondContact O-N 2.98Å; D340-T344 VanDerWaalsContact O-N 3.11Å; D340-T344 PolarHBondContact O-OG1 3.28Å
341	K	91.1	Very high	80.9	Confident	35 Å²	35	79.8 Å²	79.8	15%	0.152	44%	0.441	C	S	.	.	H	α-helix	trans	-60.9	-46.8	173.6	-74.8	-151.8	-178.6	-169.9	0	112.2	T259 E262 V337 L338 R339 M343 T344 L345	T259-K341 VanDerWaalsContact CA-NZ 3.27Å; T259-K341 WeakPolarHBondContact OG1-CD 3.04Å; T259-K341 WeakPolarHBondContact OG1-CE 3.49Å; T259-K341 PolarHBondContact OG1-NZ 3.42Å; T259-K341 VanDerWaalsContact OG1-NZ 3.14Å; E262-K341 IonicContact OE1-NZ 3.32Å; E262-K341 PolarHBondContact OE1-NZ 2.88Å; E262-K341 WeakPolarHBondContact OE2-CE 3.42Å; E262-K341 IonicContact OE2-NZ 3.42Å; E262-K341 PolarHBondContact OE2-NZ 3.39Å; V337-K341 WeakPolarHBondContact O-CG 3.38Å; V337-K341 PolarHBondContact O-N 2.78Å; L338-K341 PolarHBondContact O-N 3.1Å; R339-K341 VanDerWaalsContact C-N 3.27Å; R339-K341 PolarHBondContact O-N 3.04Å; K341-M343 VanDerWaalsContact C-N 3.27Å; K341-M343 PolarHBondContact O-N 2.97Å; K341-T344 PolarHBondContact O-N 3.25Å; K341-T344 PolarHBondContact O-OG1 3.41Å; K341-L345 WeakPolarHBondContact O-CG 3.22Å; K341-L345 PolarHBondContact O-N 3.47Å
342	I	92.9	Very high	83.7	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-59.7	-40.3	177.4	-69.1	164.6	0	0	0	111.1	L255 L338 R339 T344 L345 K352 L355 L356	L255-I342 HydrophobicContact CD1-CG1 3.65Å; L338-I342 HydrophobicContact CD1-CD1 4.16Å; L338-I342 HydrophobicContact CD1-CG1 4.41Å; L338-I342 HydrophobicContact CG-CD1 3.92Å; L338-I342 VanDerWaalsContact O-CG1 3.3Å; L338-I342 WeakPolarHBondContact O-CG1 3.49Å; L338-I342 PolarHBondContact O-N 2.83Å; R339-I342 PolarHBondContact O-N 3.2Å; I342-T344 VanDerWaalsContact C-N 3.32Å; I342-T344 PolarHBondContact O-N 3.36Å; I342-L345 WeakPolarHBondContact O-CB 3.24Å; I342-L345 PolarHBondContact O-N 3.11Å; I342-K352 HydrophobicContact CG2-CB 4.19Å; I342-K352 HydrophobicContact CG2-CG 4.32Å; I342-L355 HydrophobicContact CD1-CB 4.04Å; I342-L355 HydrophobicContact CG1-CB 4.45Å; I342-L355 HydrophobicContact CG2-CB 4.02Å; I342-L355 HydrophobicContact CG2-CD1 4.18Å; I342-L356 HydrophobicContact CB-CD2 4.3Å; I342-L356 HydrophobicContact CD1-CD2 3.64Å; I342-L356 HydrophobicContact CD1-CG 4.22Å; I342-L356 HydrophobicContact CG2-CD1 4.26Å; I342-L356 HydrophobicContact CG2-CD2 4.34Å; I342-L356 HydrophobicContact CG2-CG 4.03Å
343	M	92.2	Very high	86.5	Confident	70 Å²	70	68.6 Å²	68.6	35%	0.345	39%	0.386	S	S	.	.	H	α-helix	trans	-68.5	-28.9	-178.5	-67.8	-53.8	-72.4	0	0	113.3	R339 D340 K341 K352 L356	R339-M343 HydrophobicContact CG-CG 4.24Å; R339-M343 WeakPolarHBondContact O-CG 3.34Å; R339-M343 PolarHBondContact O-N 3.11Å; D340-M343 PolarHBondContact O-N 3.25Å; K341-M343 VanDerWaalsContact C-N 3.27Å; K341-M343 PolarHBondContact O-N 2.97Å; M343-K352 PolarHBondContact O-NZ 2.88Å; M343-K352 HydrophobicContact SD-CB 4.44Å; M343-K352 HydrophobicContact SD-CD 4.17Å; M343-L356 HydrophobicContact SD-CD1 3.91Å
344	T	93	Very high	89	Confident	116 Å²	116	61.1 Å²	61.1	71%	0.712	35%	0.353	S	S	*	.	H	α-helix	trans	-79	-14.6	176.3	57.6	0	0	0	0	114.1	D340 K341 I342	D340-T344 WeakPolarHBondContact O-CG2 3.28Å; D340-T344 PolarHBondContact O-N 2.98Å; D340-T344 VanDerWaalsContact O-N 3.11Å; D340-T344 PolarHBondContact O-OG1 3.28Å; K341-T344 PolarHBondContact O-N 3.25Å; K341-T344 PolarHBondContact O-OG1 3.41Å; I342-T344 VanDerWaalsContact C-N 3.32Å; I342-T344 PolarHBondContact O-N 3.36Å
345	L	92.9	Very high	90.9	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.257	33%	0.332	S	S	.	.	S	Bend	trans	-65.3	142.9	178.3	-64.2	175.4	0	0	0	111.6	L255 K341 I342 L347 K352	L255-L345 HydrophobicContact CD1-CD1 4.05Å; L255-L345 HydrophobicContact CD2-CD1 4.4Å; K341-L345 WeakPolarHBondContact O-CG 3.22Å; K341-L345 PolarHBondContact O-N 3.47Å; I342-L345 WeakPolarHBondContact O-CB 3.24Å; I342-L345 PolarHBondContact O-N 3.11Å; L345-L347 HydrophobicContact CB-CD1 3.94Å; L345-L347 HydrophobicContact CB-CG 3.91Å; L345-L347 HydrophobicContact CD1-CD1 3.78Å; L345-L347 PolarHBondContact O-N 3.36Å; L345-K352 WeakPolarHBondContact O-CE 3.37Å; L345-K352 PolarHBondContact O-NZ 2.98Å; L345-K352 VanDerWaalsContact O-NZ 3.11Å
346	P	95.2	Very high	92.2	Very high	131 Å²	131	54.1 Å²	54.1	85%	0.851	30%	0.304	S	S	*	.	S	Bend	trans	-77.9	54.4	176.1	34.7	-36.8	0	0	0	111.3
347	L	94.7	Very high	92.7	Very high	63 Å²	63	55.4 Å²	55.4	33%	0.33	31%	0.309	S	S	.	.			trans	-109.1	151.3	-179.9	-63.5	175.9	0	0	0	111.1	L345 L351 K352 L355	L345-L347 HydrophobicContact CB-CD1 3.94Å; L345-L347 HydrophobicContact CB-CG 3.91Å; L345-L347 HydrophobicContact CD1-CD1 3.78Å; L345-L347 PolarHBondContact O-N 3.36Å; L347-L351 HydrophobicContact CB-CB 4.4Å; L347-L351 HydrophobicContact CD2-CD1 4.5Å; L347-K352 HydrophobicContact CB-CG 4.23Å; L347-K352 VanDerWaalsContact O-CE 3.25Å; L347-K352 WeakPolarHBondContact O-CE 3.46Å; L347-L355 HydrophobicContact CD1-CD1 3.92Å
348	P	96.4	Very high	92.9	Very high	78 Å²	78	59.2 Å²	59.2	51%	0.506	32%	0.317	S	S	.	.			trans	-55.8	149.1	167.2	-23.4	32.9	0	0	0	112.5	S350 L351 K352	P348-S350 PolarHBondContact O-N 3.41Å; P348-L351 PolarHBondContact O-N 3.31Å; P348-K352 PolarHBondContact O-N 3.41Å; P348-K352 VanDerWaalsContact O-N 3.17Å
349	E	94.1	Very high	92.9	Very high	117 Å²	117	59.5 Å²	59.5	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-35.2	-176.8	-164.5	56.3	-145.2	0	0	113	L351 K352 A353	E349-L351 VanDerWaalsContact C-N 3.3Å; E349-L351 PolarHBondContact O-N 3.04Å; E349-K352 PolarHBondContact O-N 3.31Å; E349-A353 WeakPolarHBondContact O-CB 3.42Å; E349-A353 PolarHBondContact O-N 3.29Å
350	S	94.6	Very high	91.9	Very high	83 Å²	83	65.2 Å²	65.2	58%	0.58	35%	0.351	S	S	*	.	H	α-helix	trans	-61.7	-35.6	175.9	55	0	0	0	0	113.1	P348 Y354	P348-S350 PolarHBondContact O-N 3.41Å; S350-Y354 WeakPolarHBondContact O-CB 3.29Å; S350-Y354 PolarHBondContact O-N 2.92Å
351	L	94.4	Very high	90.5	Very high	81 Å²	81	68.2 Å²	68.2	42%	0.424	36%	0.36	S	S	.	.	H	α-helix	trans	-75.8	-37	176.1	-67.8	-173.5	0	0	0	111.5	L347 P348 E349 Y354 L355	L347-L351 HydrophobicContact CB-CB 4.4Å; L347-L351 HydrophobicContact CD2-CD1 4.5Å; P348-L351 PolarHBondContact O-N 3.31Å; E349-L351 VanDerWaalsContact C-N 3.3Å; E349-L351 PolarHBondContact O-N 3.04Å; L351-Y354 PolarHBondContact O-N 2.9Å; L351-L355 VanDerWaalsContact O-CG 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.34Å; L351-L355 PolarHBondContact O-N 3.47Å
352	K	95	Very high	90.5	Very high	27 Å²	27	69.9 Å²	69.9	12%	0.117	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-49.1	172.9	-66	-178.7	178.1	-179.6	0	110.8	I342 M343 L345 L347 P348 E349 Y354 L355 L356	I342-K352 HydrophobicContact CG2-CB 4.19Å; I342-K352 HydrophobicContact CG2-CG 4.32Å; M343-K352 PolarHBondContact O-NZ 2.88Å; M343-K352 HydrophobicContact SD-CB 4.44Å; M343-K352 HydrophobicContact SD-CD 4.17Å; L345-K352 WeakPolarHBondContact O-CE 3.37Å; L345-K352 PolarHBondContact O-NZ 2.98Å; L345-K352 VanDerWaalsContact O-NZ 3.11Å; L347-K352 HydrophobicContact CB-CG 4.23Å; L347-K352 VanDerWaalsContact O-CE 3.25Å; L347-K352 WeakPolarHBondContact O-CE 3.46Å; P348-K352 PolarHBondContact O-N 3.41Å; P348-K352 VanDerWaalsContact O-N 3.17Å; E349-K352 PolarHBondContact O-N 3.31Å; K352-Y354 VanDerWaalsContact C-N 3.32Å; K352-Y354 PolarHBondContact O-N 3.3Å; K352-L355 PolarHBondContact O-N 2.98Å; K352-L356 WeakPolarHBondContact O-CB 3.23Å; K352-L356 VanDerWaalsContact O-CG 3.31Å; K352-L356 WeakPolarHBondContact O-CG 3.41Å; K352-L356 PolarHBondContact O-N 2.98Å
353	A	93.6	Very high	90.4	Very high	27 Å²	27	73.5 Å²	73.5	22%	0.223	39%	0.39	C	S	.	.	H	α-helix	trans	-57	-44.7	175.1	0	0	0	0	0	111.6	E349 L355 L356 H357 Y358	E349-A353 WeakPolarHBondContact O-CB 3.42Å; E349-A353 PolarHBondContact O-N 3.29Å; A353-L355 PolarHBondContact O-N 2.97Å; A353-L356 CarbonylContact O-C 3.57Å; A353-L356 PolarHBondContact O-N 3.45Å; A353-L356 VanDerWaalsContact O-N 3.15Å; A353-H357 PolarHBondContact O-N 3.38Å; A353-Y358 HydrophobicContact CB-CD1 3.87Å; A353-Y358 HydrophobicContact CB-CE1 4.18Å; A353-Y358 WeakPolarHBondContact O-CA 3.49Å; A353-Y358 PolarHBondContact O-N 3.21Å
354	Y	94.4	Very high	90.3	Very high	25 Å²	25	73.7 Å²	73.7	10%	0.098	39%	0.392	C	S	.	.	H	α-helix	trans	-60.7	-44.7	176.3	179.9	-111.4	0	0	0	113.2	Q244 D245 R248 S350 L351 K352 L356 H357 Y358	Q244-Y354 HydrophobicContact CG-CE1 3.79Å; Q244-Y354 HydrophobicContact CG-CE2 4.42Å; Q244-Y354 WeakPolarHBondContact CG-OH 3.21Å; Q244-Y354 PolarHBondContact O-OH 2.88Å; Q244-Y354 VanDerWaalsContact O-OH 3.11Å; D245-Y354 WeakPolarHBondContact CA-OH 3.38Å; D245-Y354 PolarHBondContact N-OH 3.2Å; R248-Y354 HydrophobicContact CB-CD1 4.36Å; R248-Y354 HydrophobicContact CB-CE1 3.62Å; R248-Y354 VanDerWaalsContact CD-O 3.23Å; R248-Y354 WeakPolarHBondContact CD-O 3.28Å; R248-Y354 HydrophobicContact CG-CE1 4.29Å; S350-Y354 WeakPolarHBondContact O-CB 3.29Å; S350-Y354 PolarHBondContact O-N 2.92Å; L351-Y354 PolarHBondContact O-N 2.9Å; K352-Y354 VanDerWaalsContact C-N 3.32Å; K352-Y354 PolarHBondContact O-N 3.3Å; Y354-L356 PolarHBondContact O-N 3.05Å; Y354-H357 PolarHBondContact O-N 3.24Å; Y354-H357 VanDerWaalsContact O-N 3.16Å; Y354-Y358 HydrophobicContact CD2-CE2 4.05Å
355	L	93.9	Very high	90.1	Very high	6 Å²	6	71.2 Å²	71.2	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-26.3	176.1	-70.1	175.5	0	0	0	112.6	R248 I251 R252 I342 L347 L351 K352 A353 H357	R248-L355 HydrophobicContact CB-CD2 4.37Å; R248-L355 HydrophobicContact CG-CD2 4.23Å; I251-L355 HydrophobicContact CB-CD2 3.99Å; I251-L355 HydrophobicContact CD1-CD2 4.11Å; I251-L355 HydrophobicContact CG2-CD1 4Å; I251-L355 HydrophobicContact CG2-CD2 3.75Å; R252-L355 WeakPolarHBondContact CD-O 3.18Å; R252-L355 PolarHBondContact NH1-O 3.37Å; I342-L355 HydrophobicContact CD1-CB 4.04Å; I342-L355 HydrophobicContact CG1-CB 4.45Å; I342-L355 HydrophobicContact CG2-CB 4.02Å; I342-L355 HydrophobicContact CG2-CD1 4.18Å; L347-L355 HydrophobicContact CD1-CD1 3.92Å; L351-L355 VanDerWaalsContact O-CG 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.34Å; L351-L355 PolarHBondContact O-N 3.47Å; K352-L355 PolarHBondContact O-N 2.98Å; A353-L355 PolarHBondContact O-N 2.97Å; L355-H357 VanDerWaalsContact C-N 3.34Å
356	L	92.1	Very high	90	Very high	5 Å²	5	72.6 Å²	72.6	3%	0.026	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	9.8	176.7	-66	169.5	0	0	0	113.5	R339 I342 M343 K352 A353 Y354 Y358 R359	R339-L356 HydrophobicContact CB-CD2 3.95Å; R339-L356 HydrophobicContact CG-CD1 4.21Å; R339-L356 HydrophobicContact CG-CD2 3.79Å; I342-L356 HydrophobicContact CB-CD2 4.3Å; I342-L356 HydrophobicContact CD1-CD2 3.64Å; I342-L356 HydrophobicContact CD1-CG 4.22Å; I342-L356 HydrophobicContact CG2-CD1 4.26Å; I342-L356 HydrophobicContact CG2-CD2 4.34Å; I342-L356 HydrophobicContact CG2-CG 4.03Å; M343-L356 HydrophobicContact SD-CD1 3.91Å; K352-L356 WeakPolarHBondContact O-CB 3.23Å; K352-L356 VanDerWaalsContact O-CG 3.31Å; K352-L356 WeakPolarHBondContact O-CG 3.41Å; K352-L356 PolarHBondContact O-N 2.98Å; A353-L356 CarbonylContact O-C 3.57Å; A353-L356 PolarHBondContact O-N 3.45Å; A353-L356 VanDerWaalsContact O-N 3.15Å; Y354-L356 PolarHBondContact O-N 3.05Å; L356-Y358 PolarHBondContact O-N 3.03Å; L356-R359 WeakPolarHBondContact O-CB 3.26Å; L356-R359 WeakPolarHBondContact O-CD 3.38Å; L356-R359 VanDerWaalsContact O-CG 3.24Å; L356-R359 WeakPolarHBondContact O-CG 3.17Å; L356-R359 PolarHBondContact O-N 3.46Å; L356-R359 VanDerWaalsContact O-N 3.15Å
357	H	91.5	Very high	89.6	Confident	52 Å²	52	68.7 Å²	68.7	24%	0.241	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	31.6	-175.1	-68.1	-108.8	0	0	0	113.2	F135 R248 A353 Y354 L355 R359	F135-H357 HydrophobicContact CE1-CB 4.35Å; F135-H357 AromaticContact CE1-CD2 3.63Å; F135-H357 AromaticContact CE1-CG 3.8Å; F135-H357 AromaticContact CE1-NE2 3.87Å; F135-H357 AromaticContact CZ-CE1 3.78Å; F135-H357 AromaticContact CZ-ND1 3.85Å; F135-H357 AromaticContact CZ-NE2 3.94Å; R248-H357 PolarHBondContact NH1-CE1 2.69Å; R248-H357 PolarHBondContact NH1-ND1 3.03Å; A353-H357 PolarHBondContact O-N 3.38Å; Y354-H357 PolarHBondContact O-N 3.24Å; Y354-H357 VanDerWaalsContact O-N 3.16Å; L355-H357 VanDerWaalsContact C-N 3.34Å; H357-R359 HydrophobicContact CB-CG 4.37Å; H357-R359 PolarHBondContact O-N 2.91Å
358	Y	90.2	Very high	89.3	Confident	150 Å²	150	69.1 Å²	69.1	59%	0.588	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	33	-177.6	-52.2	-82.9	0	0	0	113.5	A353 Y354 L356	A353-Y358 HydrophobicContact CB-CD1 3.87Å; A353-Y358 HydrophobicContact CB-CE1 4.18Å; A353-Y358 WeakPolarHBondContact O-CA 3.49Å; A353-Y358 PolarHBondContact O-N 3.21Å; Y354-Y358 HydrophobicContact CD2-CE2 4.05Å; L356-Y358 PolarHBondContact O-N 3.03Å
359	R	88.3	Confident	88.7	Confident	15 Å²	15	68.5 Å²	68.5	6%	0.057	34%	0.339	C	S	.	.			trans	-87.9	130	177.2	-63.3	169.3	63.9	-162.5	1.6	110.9	I129 K130 N132 D136 R339 L356 H357	I129-R359 WeakPolarHBondContact O-CD 3.35Å; I129-R359 PolarHBondContact O-NE 3.17Å; K130-R359 PolarHBondContact O-NE 3.11Å; K130-R359 PolarHBondContact O-NH2 2.84Å; N132-R359 PolarHBondContact O-NH2 2.86Å; D136-R359 VanDerWaalsContact CG-NH1 3.31Å; D136-R359 IonicContact OD1-NH1 3.98Å; D136-R359 IonicContact OD2-CZ 2.94Å; D136-R359 IonicContact OD2-NH1 2.76Å; D136-R359 PolarHBondContact OD2-NH1 3.22Å; D136-R359 IonicContact OD2-NH2 3.95Å; R339-R359 PolarHBondContact NH1-O 3.11Å; R339-R359 PolarHBondContact NH2-O 3.3Å; L356-R359 WeakPolarHBondContact O-CB 3.26Å; L356-R359 WeakPolarHBondContact O-CD 3.38Å; L356-R359 VanDerWaalsContact O-CG 3.24Å; L356-R359 WeakPolarHBondContact O-CG 3.17Å; L356-R359 PolarHBondContact O-N 3.46Å; L356-R359 VanDerWaalsContact O-N 3.15Å; H357-R359 HydrophobicContact CB-CG 4.37Å; H357-R359 PolarHBondContact O-N 2.91Å
360	D	69.8	Low	88.3	Confident	159 Å²	159	64.4 Å²	64.4	85%	0.85	32%	0.322	S	S	*	.			trans	-81	-17.6	-175.9	-63.8	-37.9	0	0	0	114.5	R339	R339-D360 PolarHBondContact NH2-O 2.89Å
361	K	61.2	Low	87.7	Confident	143 Å²	143	62.7 Å²	62.7	62%	0.622	30%	0.298	S	S	*	.			trans	-71.7	0	-173.4	-72.8	-169.8	178.6	-168.8	0	114.6	N131 R339	N131-K361 PolarHBondContact O-NZ 2.96Å; N131-K361 VanDerWaalsContact OD1-CE 3.27Å; N131-K361 WeakPolarHBondContact OD1-CE 3.41Å; R339-K361 WeakPolarHBondContact CD-O 3.44Å; R339-K361 PolarHBondContact NE-O 3.3Å; R339-K361 PolarHBondContact NH1-O 3.17Å

Retrieved 361 of 361 residues in 648.1 ms (Link to these results)

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