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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 A0A093HF50, Species STRCA (Struthio camelus australis), Gene n/a, Length 358 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	69.7	Low	87.8	Confident	73 Å²	73	54.7 Å²	54.7	36%	0.36	37%	0.369	S	S	.	.				0	156.9	0	-72.9	-156.7	-72.3	0	0	110.6	A55 I68 V214 S215 F216	M1-A55 PolarHBondContact O-N 2.97Å; M1-A55 VanDerWaalsContact O-N 3.14Å; M1-I68 HydrophobicContact CB-CG1 4.35Å; M1-I68 HydrophobicContact CE-CD1 4.01Å; M1-I68 HydrophobicContact CE-CG1 3.89Å; M1-I68 HydrophobicContact CE-CG2 4.26Å; M1-I68 HydrophobicContact SD-CD1 3.74Å; M1-I68 HydrophobicContact SD-CG1 4.16Å; M1-V214 HydrophobicContact CE-CB 3.99Å; M1-V214 HydrophobicContact CE-CG1 4.23Å; M1-V214 WeakPolarHBondContact SD-CA 3.14Å; M1-V214 HydrophobicContact SD-CB 3.28Å; M1-V214 WeakPolarHBondContact SD-CB 3.15Å; M1-V214 HydrophobicContact SD-CG1 3.5Å; M1-V214 WeakPolarHBondContact SD-CG1 3.43Å; M1-S215 WeakPolarHBondContact CE-O 3.33Å; M1-S215 WeakPolarHBondContact CG-O 3.39Å; M1-S215 PolarHBondContact SD-N 2.88Å; M1-F216 HydrophobicContact CE-CD1 4.25Å; M1-F216 HydrophobicContact CE-CD2 3.44Å; M1-F216 VanDerWaalsContact CE-CD2 3.44Å; M1-F216 HydrophobicContact CE-CE1 3.97Å; M1-F216 HydrophobicContact CE-CE2 3.11Å; M1-F216 HydrophobicContact CE-CG 4.02Å; M1-F216 HydrophobicContact CE-CZ 3.42Å; M1-F216 VanDerWaalsContact CE-CZ 3.42Å; M1-F216 HydrophobicContact SD-CD2 4.44Å; M1-F216 HydrophobicContact SD-CE2 4.24Å
2	G	80.2	Confident	88.5	Confident	38 Å²	38	54.2 Å²	54.2	39%	0.392	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	119.9	-173.4	-177.4	0	0	0	0	0	112.4	D53	G2-D53 CarbonylContact C-O 3.53Å; G2-D53 WeakPolarHBondContact CA-O 3.09Å
3	G	82.3	Confident	89.2	Confident	56 Å²	56	53.4 Å²	53.4	58%	0.577	35%	0.35	S	S	*	.			trans	92.6	17.1	177.4	0	0	0	0	0	113.5	V5 D53	G3-V5 VanDerWaalsContact C-N 3.33Å; G3-D53 PolarHBondContact N-O 2.73Å; G3-D53 PolarHBondContact N-OD2 2.77Å
4	A	83.8	Confident	89.7	Confident	45 Å²	45	49.6 Å²	49.6	37%	0.372	33%	0.325	S	S	.	.	S	Bend	trans	-75.1	-27.1	178.1	0	0	0	0	0	112.3	Y23 D53 C67	A4-Y23 HydrophobicContact CB-CE1 4.4Å; A4-Y23 HydrophobicContact CB-CE2 3.63Å; A4-Y23 VanDerWaalsContact CB-OH 3.28Å; A4-Y23 WeakPolarHBondContact CB-OH 3.21Å; A4-D53 WeakPolarHBondContact CB-OD2 3.34Å; A4-D53 PolarHBondContact N-OD2 3.1Å; A4-C67 HydrophobicContact CB-CB 4.14Å
5	V	90	Very high	90.3	Very high	23 Å²	23	46.3 Å²	46.3	14%	0.139	30%	0.304	C	S	.	.	S	Bend	trans	-132.7	160.2	-179.5	-57.9	0	0	0	0	112.1	G3 L14 N17 L18 A21 Y23 D53	G3-V5 VanDerWaalsContact C-N 3.33Å; V5-L14 HydrophobicContact CG2-CD1 4.3Å; V5-N17 HydrophobicContact CB-CB 4.13Å; V5-N17 HydrophobicContact CG2-CB 4.25Å; V5-L18 HydrophobicContact CG1-CD2 4.24Å; V5-L18 HydrophobicContact CG2-CD2 3.75Å; V5-L18 HydrophobicContact CG2-CG 4.15Å; V5-A21 HydrophobicContact CG1-CB 3.43Å; V5-A21 VanDerWaalsContact CG1-CB 3.43Å; V5-Y23 HydrophobicContact CG1-CD2 4.4Å; V5-D53 HydrophobicContact CG2-CB 3.59Å
6	S	89.4	Confident	90.7	Very high	73 Å²	73	46.8 Å²	46.8	51%	0.51	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65	152.9	173.3	48.9	0	0	0	0	111.9	N17	S6-N17 PolarHBondContact O-ND2 3.26Å; S6-N17 PolarHBondContact OG-ND2 2.79Å; S6-N17 VanDerWaalsContact OG-ND2 3.15Å
7	A	92.1	Very high	91.1	Very high	58 Å²	58	44.9 Å²	44.9	48%	0.479	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-61.1	142.1	171	0	0	0	0	0	111.1	Y51 K52	A7-Y51 WeakPolarHBondContact CA-O 3.43Å; A7-K52 HydrophobicContact CB-CB 4.5Å; A7-K52 HydrophobicContact CB-CG 3.89Å
8	G	93.1	Very high	91.4	Very high	14 Å²	14	42.4 Å²	42.4	14%	0.144	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-87.3	160.1	168.2	0	0	0	0	0	111.7	D10 Y51	G8-D10 VanDerWaalsContact C-N 3.34Å; G8-Y51 PolarHBondContact N-O 3.08Å
9	E	93.3	Very high	91.7	Very high	153 Å²	153	44.5 Å²	44.5	72%	0.715	28%	0.278	S	S	*	.	S	Bend	trans	-73.2	-33.5	168.2	-57.6	-174.4	167.6	0	0	110.6	D13	E9-D13 WeakPolarHBondContact CB-OD2 3.35Å; E9-D13 PolarHBondContact N-OD2 3.36Å
10	D	95.4	Very high	92	Very high	60 Å²	60	48.3 Å²	48.3	32%	0.321	29%	0.292	S	S	.	.	S	Bend	trans	-140.4	-171.7	175.5	62.3	34	0	0	0	111.9	G8 D12 D13 L14	G8-D10 VanDerWaalsContact C-N 3.34Å; D10-D12 PolarHBondContact OD1-N 3.46Å; D10-D13 PolarHBondContact OD1-N 3.37Å; D10-L14 PolarHBondContact O-N 3.19Å; D10-L14 VanDerWaalsContact O-N 3.16Å
11	N	96.4	Very high	92.1	Very high	9 Å²	9	48 Å²	48	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-42.9	179	-168.8	73.1	0	0	0	111.9	L14 I15 F33 R38 Y51	N11-L14 WeakPolarHBondContact O-CB 3.43Å; N11-L14 PolarHBondContact O-N 2.66Å; N11-I15 WeakPolarHBondContact O-CG1 3.19Å; N11-I15 PolarHBondContact O-N 2.89Å; N11-F33 PolarHBondContact ND2-O 3.03Å; N11-R38 PolarHBondContact OD1-N 3.26Å; N11-Y51 HydrophobicContact CB-CD1 4.2Å; N11-Y51 HydrophobicContact CB-CE1 3.78Å
12	D	96.3	Very high	93.4	Very high	48 Å²	48	50.4 Å²	50.4	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-39.2	-175.6	-86.5	-35.2	0	0	0	112	D10 I15 D16 R34	D10-D12 PolarHBondContact OD1-N 3.46Å; D12-I15 PolarHBondContact O-N 3.22Å; D12-D16 PolarHBondContact O-N 2.76Å; D12-R34 PolarHBondContact O-NH1 3.21Å; D12-R34 VanDerWaalsContact O-NH1 3.14Å; D12-R34 WeakPolarHBondContact OD1-CD 3.15Å; D12-R34 VanDerWaalsContact OD1-CG 3.28Å; D12-R34 WeakPolarHBondContact OD1-CG 3.41Å; D12-R34 IonicContact OD1-CZ 2.87Å; D12-R34 IonicContact OD1-NE 2.79Å; D12-R34 IonicContact OD1-NH1 3.76Å; D12-R34 PolarHBondContact OD1-NH1 2.98Å
13	D	97.2	Very high	94.1	Very high	44 Å²	44	51.6 Å²	51.6	24%	0.235	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-40.2	172.7	-83.1	-7.9	0	0	0	112	E9 D10 I15 D16 N17	E9-D13 WeakPolarHBondContact CB-OD2 3.35Å; E9-D13 PolarHBondContact N-OD2 3.36Å; D10-D13 PolarHBondContact OD1-N 3.37Å; D13-I15 VanDerWaalsContact C-N 3.33Å; D13-D16 PolarHBondContact O-N 3.38Å; D13-N17 VanDerWaalsContact O-CG 3.26Å; D13-N17 PolarHBondContact O-N 3.26Å; D13-N17 PolarHBondContact O-ND2 2.89Å
14	L	97.2	Very high	94.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-42.6	173.6	171	64.3	0	0	0	110.8	V5 D10 N11 N17 L18 P66	V5-L14 HydrophobicContact CG2-CD1 4.3Å; D10-L14 PolarHBondContact O-N 3.19Å; D10-L14 VanDerWaalsContact O-N 3.16Å; N11-L14 WeakPolarHBondContact O-CB 3.43Å; N11-L14 PolarHBondContact O-N 2.66Å; L14-N17 PolarHBondContact O-N 2.98Å; L14-L18 HydrophobicContact CD1-CD1 4.32Å; L14-L18 HydrophobicContact CD1-CG 4.41Å; L14-L18 HydrophobicContact CG-CD1 4.22Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.75Å; L14-P66 HydrophobicContact CD1-CB 4.41Å; L14-P66 HydrophobicContact CD1-CG 4.35Å; L14-P66 HydrophobicContact CD2-CB 4.08Å; L14-P66 HydrophobicContact CD2-CG 3.7Å
15	I	97.8	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-40.3	178.5	-58.4	-29.7	0	0	0	110.6	N11 D12 D13 N17 L18 K19 I24 E30 F33 R34	N11-I15 WeakPolarHBondContact O-CG1 3.19Å; N11-I15 PolarHBondContact O-N 2.89Å; D12-I15 PolarHBondContact O-N 3.22Å; D13-I15 VanDerWaalsContact C-N 3.33Å; I15-N17 VanDerWaalsContact C-N 3.35Å; I15-N17 PolarHBondContact O-N 3.45Å; I15-L18 HydrophobicContact CD1-CD1 4.25Å; I15-L18 PolarHBondContact O-N 3.31Å; I15-K19 WeakPolarHBondContact O-CB 3.35Å; I15-K19 PolarHBondContact O-N 2.93Å; I15-I24 HydrophobicContact CG2-CD1 3.88Å; I15-E30 HydrophobicContact CG2-CG 4.06Å; I15-F33 HydrophobicContact CD1-CB 3.68Å; I15-F33 HydrophobicContact CD1-CD1 3.64Å; I15-F33 HydrophobicContact CD1-CG 4.06Å; I15-F33 HydrophobicContact CG1-CB 3.97Å; I15-F33 HydrophobicContact CG2-CB 4.45Å; I15-R34 HydrophobicContact CB-CG 4.26Å; I15-R34 HydrophobicContact CG1-CG 4.1Å; I15-R34 HydrophobicContact CG2-CG 3.98Å
16	D	97.5	Very high	95.9	Very high	53 Å²	53	54.4 Å²	54.4	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-57.9	-46.9	174.3	-83.3	-9.4	0	0	0	111.4	D12 D13 L18 K19 E20 R34	D12-D16 PolarHBondContact O-N 2.76Å; D13-D16 PolarHBondContact O-N 3.38Å; D16-L18 VanDerWaalsContact C-N 3.34Å; D16-L18 PolarHBondContact O-N 3.47Å; D16-K19 PolarHBondContact O-N 3.39Å; D16-E20 WeakPolarHBondContact O-CB 3.26Å; D16-E20 WeakPolarHBondContact O-CG 3.34Å; D16-E20 PolarHBondContact O-N 2.84Å; D16-R34 IonicContact OD1-CZ 3.51Å; D16-R34 IonicContact OD1-NH1 3.36Å; D16-R34 IonicContact OD1-NH2 3.67Å; D16-R34 PolarHBondContact OD1-NH2 2.6Å
17	N	96.9	Very high	96.2	Very high	15 Å²	15	56.3 Å²	56.3	8%	0.08	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-41.8	177.4	-67.6	-19.9	0	0	0	112	V5 S6 D13 L14 I15 A21 R278	V5-N17 HydrophobicContact CB-CB 4.13Å; V5-N17 HydrophobicContact CG2-CB 4.25Å; S6-N17 PolarHBondContact O-ND2 3.26Å; S6-N17 PolarHBondContact OG-ND2 2.79Å; S6-N17 VanDerWaalsContact OG-ND2 3.15Å; D13-N17 VanDerWaalsContact O-CG 3.26Å; D13-N17 PolarHBondContact O-N 3.26Å; D13-N17 PolarHBondContact O-ND2 2.89Å; L14-N17 PolarHBondContact O-N 2.98Å; I15-N17 VanDerWaalsContact C-N 3.35Å; I15-N17 PolarHBondContact O-N 3.45Å; N17-A21 WeakPolarHBondContact O-CB 3.28Å; N17-A21 PolarHBondContact O-N 3.1Å; N17-R278 PolarHBondContact OD1-NH2 3.4Å
18	L	97.4	Very high	96.4	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-37	177.2	-71	167.6	0	0	0	112.6	V5 L14 I15 D16 Q22 Y23 I24 P66 C67	V5-L18 HydrophobicContact CG1-CD2 4.24Å; V5-L18 HydrophobicContact CG2-CD2 3.75Å; V5-L18 HydrophobicContact CG2-CG 4.15Å; L14-L18 HydrophobicContact CD1-CD1 4.32Å; L14-L18 HydrophobicContact CD1-CG 4.41Å; L14-L18 HydrophobicContact CG-CD1 4.22Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.75Å; I15-L18 HydrophobicContact CD1-CD1 4.25Å; I15-L18 PolarHBondContact O-N 3.31Å; D16-L18 VanDerWaalsContact C-N 3.34Å; D16-L18 PolarHBondContact O-N 3.47Å; L18-Q22 PolarHBondContact O-N 3.04Å; L18-Y23 HydrophobicContact CD2-CG 4.44Å; L18-Y23 WeakPolarHBondContact O-CB 3.47Å; L18-Y23 PolarHBondContact O-N 3.32Å; L18-I24 HydrophobicContact CB-CD1 3.85Å; L18-I24 HydrophobicContact CB-CG1 4.1Å; L18-I24 HydrophobicContact CD1-CD1 4.04Å; L18-I24 PolarHBondContact O-N 3.4Å; L18-P66 HydrophobicContact CD1-CB 3.72Å; L18-P66 HydrophobicContact CD2-CB 4.45Å; L18-C67 HydrophobicContact CD2-CB 4.01Å
19	K	96.8	Very high	96.6	Very high	83 Å²	83	55.5 Å²	55.5	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-70.7	-45	176.7	-176.2	175.6	176.2	171.7	0	111.7	I15 D16 A21 Q22 E30	I15-K19 WeakPolarHBondContact O-CB 3.35Å; I15-K19 PolarHBondContact O-N 2.93Å; D16-K19 PolarHBondContact O-N 3.39Å; K19-A21 PolarHBondContact O-N 2.8Å; K19-Q22 PolarHBondContact O-N 3.41Å; K19-Q22 PolarHBondContact O-NE2 3.11Å; K19-Q22 VanDerWaalsContact O-NE2 3.12Å; K19-E30 WeakPolarHBondContact CD-OE2 3.36Å; K19-E30 WeakPolarHBondContact CE-OE2 3.47Å; K19-E30 VanDerWaalsContact NZ-CD 3.27Å; K19-E30 IonicContact NZ-OE1 2.73Å; K19-E30 PolarHBondContact NZ-OE1 2.92Å; K19-E30 VanDerWaalsContact NZ-OE1 3.13Å; K19-E30 IonicContact NZ-OE2 3.39Å; K19-E30 PolarHBondContact NZ-OE2 3.31Å
20	E	96.6	Very high	96.9	Very high	119 Å²	119	49 Å²	49	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-57.1	-40.7	174	-75.2	-176.1	169	0	0	111.1	D16 Q22 R278	D16-E20 WeakPolarHBondContact O-CB 3.26Å; D16-E20 WeakPolarHBondContact O-CG 3.34Å; D16-E20 PolarHBondContact O-N 2.84Å; E20-Q22 VanDerWaalsContact C-N 3.25Å; E20-Q22 PolarHBondContact O-N 3.36Å; E20-R278 IonicContact OE1-CZ 3.68Å; E20-R278 IonicContact OE1-NH1 3.54Å; E20-R278 PolarHBondContact OE1-NH1 2.87Å; E20-R278 VanDerWaalsContact OE1-NH1 3.13Å; E20-R278 IonicContact OE1-NH2 2.72Å; E20-R278 IonicContact OE2-CZ 3.24Å; E20-R278 VanDerWaalsContact OE2-CZ 3.24Å; E20-R278 IonicContact OE2-NH1 2.65Å; E20-R278 PolarHBondContact OE2-NH1 3.48Å; E20-R278 IonicContact OE2-NH2 3.71Å; E20-R278 PolarHBondContact OE2-NH2 2.8Å
21	A	95.5	Very high	97	Very high	43 Å²	43	50 Å²	50	36%	0.355	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	6.3	177.1	0	0	0	0	0	115	V5 N17 K19 Y23	V5-A21 HydrophobicContact CG1-CB 3.43Å; V5-A21 VanDerWaalsContact CG1-CB 3.43Å; N17-A21 WeakPolarHBondContact O-CB 3.28Å; N17-A21 PolarHBondContact O-N 3.1Å; K19-A21 PolarHBondContact O-N 2.8Å; A21-Y23 HydrophobicContact CB-CD2 3.76Å; A21-Y23 HydrophobicContact CB-CE2 4.17Å; A21-Y23 WeakPolarHBondContact O-CD2 3.4Å; A21-Y23 PolarHBondContact O-N 3.4Å
22	Q	95.7	Very high	97	Very high	123 Å²	123	49.6 Å²	49.6	58%	0.575	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	20.3	176.6	-58.6	-64	-64.5	0	0	115.9	L18 K19 E20 R25	L18-Q22 PolarHBondContact O-N 3.04Å; K19-Q22 PolarHBondContact O-N 3.41Å; K19-Q22 PolarHBondContact O-NE2 3.11Å; K19-Q22 VanDerWaalsContact O-NE2 3.12Å; E20-Q22 VanDerWaalsContact C-N 3.25Å; E20-Q22 PolarHBondContact O-N 3.36Å; Q22-R25 WeakPolarHBondContact O-CG 3.39Å; Q22-R25 PolarHBondContact O-NH1 3.28Å
23	Y	96.4	Very high	97.1	Very high	64 Å²	64	47.3 Å²	47.3	25%	0.251	23%	0.233	S	C	.	.	S	Bend	trans	-78.6	-36.9	171.5	-80.4	-86.4	0	0	0	111.9	A4 V5 L18 A21 C67 S70 E71	A4-Y23 HydrophobicContact CB-CE1 4.4Å; A4-Y23 HydrophobicContact CB-CE2 3.63Å; A4-Y23 VanDerWaalsContact CB-OH 3.28Å; A4-Y23 WeakPolarHBondContact CB-OH 3.21Å; V5-Y23 HydrophobicContact CG1-CD2 4.4Å; L18-Y23 HydrophobicContact CD2-CG 4.44Å; L18-Y23 WeakPolarHBondContact O-CB 3.47Å; L18-Y23 PolarHBondContact O-N 3.32Å; A21-Y23 HydrophobicContact CB-CD2 3.76Å; A21-Y23 HydrophobicContact CB-CE2 4.17Å; A21-Y23 WeakPolarHBondContact O-CD2 3.4Å; A21-Y23 PolarHBondContact O-N 3.4Å; Y23-C67 HydrophobicContact CD1-CB 3.75Å; Y23-C67 HydrophobicContact CE1-CB 3.81Å; Y23-C67 HydrophobicContact CG-CB 4.24Å; Y23-S70 WeakPolarHBondContact CB-OG 3.42Å; Y23-E71 HydrophobicContact CD1-CG 3.77Å; Y23-E71 HydrophobicContact CE1-CG 4.14Å
24	I	97.8	Very high	97.1	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	23%	0.23	C	C	.	.			trans	-104	124.1	169.8	-64.6	174	0	0	0	107.8	I15 L18 V29 E30 F33	I15-I24 HydrophobicContact CG2-CD1 3.88Å; L18-I24 HydrophobicContact CB-CD1 3.85Å; L18-I24 HydrophobicContact CB-CG1 4.1Å; L18-I24 HydrophobicContact CD1-CD1 4.04Å; L18-I24 PolarHBondContact O-N 3.4Å; I24-V29 HydrophobicContact CG1-CG1 4.36Å; I24-V29 HydrophobicContact CG2-CB 4.48Å; I24-V29 HydrophobicContact CG2-CG1 4.18Å; I24-E30 HydrophobicContact CG2-CB 3.77Å; I24-F33 HydrophobicContact CD1-CB 4.27Å; I24-F33 HydrophobicContact CD1-CD1 4.4Å; I24-F33 HydrophobicContact CD1-CD2 4.05Å; I24-F33 HydrophobicContact CD1-CE2 4.47Å; I24-F33 HydrophobicContact CD1-CG 4Å
25	R	96.9	Very high	97.1	Very high	123 Å²	123	47.7 Å²	47.7	46%	0.464	23%	0.232	S	C	.	.			trans	-125.1	-30.3	-169.9	-63.4	175.2	-79.4	-107.1	6.7	112.4	Q22 E71 E74	Q22-R25 WeakPolarHBondContact O-CG 3.39Å; Q22-R25 PolarHBondContact O-NH1 3.28Å; R25-E71 IonicContact CZ-OE1 3.14Å; R25-E71 IonicContact CZ-OE2 3.96Å; R25-E71 IonicContact NH1-OE1 2.73Å; R25-E71 PolarHBondContact NH1-OE1 3.15Å; R25-E71 IonicContact NH1-OE2 3.26Å; R25-E71 IonicContact NH2-OE1 2.76Å; R25-E71 PolarHBondContact NH2-OE1 3.24Å; R25-E71 IonicContact NH2-OE2 3.4Å; R25-E71 PolarHBondContact NH2-OE2 2.91Å; R25-E74 PolarHBondContact N-OE1 3.34Å; R25-E74 IonicContact NE-OE2 2.66Å; R25-E74 VanDerWaalsContact NH2-CB 3.33Å
26	T	97.6	Very high	97	Very high	57 Å²	57	47.8 Å²	47.8	35%	0.35	23%	0.233	S	C	.	.	S	Bend	trans	-104.8	140.9	-177.1	58.2	0	0	0	0	111.9	S28 V29 E30 E74	T26-S28 VanDerWaalsContact C-N 3.28Å; T26-S28 PolarHBondContact O-N 2.94Å; T26-V29 PolarHBondContact O-N 2.57Å; T26-V29 VanDerWaalsContact O-N 3.12Å; T26-V29 WeakPolarHBondContact OG1-CB 3.47Å; T26-V29 WeakPolarHBondContact OG1-CG2 3.4Å; T26-E30 PolarHBondContact O-N 2.81Å; T26-E74 WeakPolarHBondContact CG2-OE2 3.41Å; T26-E74 PolarHBondContact N-OE1 3.28Å; T26-E74 PolarHBondContact OG1-OE1 3.1Å; T26-E74 PolarHBondContact OG1-OE2 3.21Å
27	E	96.3	Very high	97	Very high	113 Å²	113	47.2 Å²	47.2	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-57.4	-40.2	179.8	-176.5	65.6	-152.2	0	0	112.1	V29 E30 Q31	E27-V29 VanDerWaalsContact C-N 3.31Å; E27-V29 PolarHBondContact O-N 2.91Å; E27-E30 PolarHBondContact O-N 2.83Å; E27-Q31 HydrophobicContact CG-CG 4.37Å; E27-Q31 WeakPolarHBondContact O-CB 3.09Å; E27-Q31 VanDerWaalsContact O-CG 3.25Å; E27-Q31 WeakPolarHBondContact O-CG 3.26Å; E27-Q31 PolarHBondContact O-N 3.44Å; E27-Q31 PolarHBondContact OE1-NE2 3.22Å
28	S	96.5	Very high	97	Very high	50 Å²	50	46.5 Å²	46.5	35%	0.35	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-35.8	178.7	51	0	0	0	0	113	T26 A32	T26-S28 VanDerWaalsContact C-N 3.28Å; T26-S28 PolarHBondContact O-N 2.94Å; S28-A32 WeakPolarHBondContact O-CB 3.43Å; S28-A32 PolarHBondContact O-N 3.05Å
29	V	98.1	Very high	97	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-73.6	-45.5	177.1	173.3	0	0	0	0	109.8	I24 T26 E27 Q31 A32 F33 M73 I101	I24-V29 HydrophobicContact CG1-CG1 4.36Å; I24-V29 HydrophobicContact CG2-CB 4.48Å; I24-V29 HydrophobicContact CG2-CG1 4.18Å; T26-V29 PolarHBondContact O-N 2.57Å; T26-V29 VanDerWaalsContact O-N 3.12Å; T26-V29 WeakPolarHBondContact OG1-CB 3.47Å; T26-V29 WeakPolarHBondContact OG1-CG2 3.4Å; E27-V29 VanDerWaalsContact C-N 3.31Å; E27-V29 PolarHBondContact O-N 2.91Å; V29-Q31 PolarHBondContact O-N 3Å; V29-A32 PolarHBondContact O-N 3.29Å; V29-F33 HydrophobicContact CG1-CD2 3.73Å; V29-F33 HydrophobicContact CG1-CE2 3.81Å; V29-F33 WeakPolarHBondContact O-CD2 3.26Å; V29-F33 PolarHBondContact O-N 3.2Å; V29-M73 HydrophobicContact CG1-CB 3.99Å; V29-M73 HydrophobicContact CG1-CE 4.47Å; V29-M73 HydrophobicContact CG2-CB 4.03Å; V29-I101 HydrophobicContact CG2-CD1 4.39Å
30	E	98.1	Very high	96.9	Very high	16 Å²	16	45.9 Å²	45.9	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-54.9	-50.4	174.7	179.5	175.9	-176.6	0	0	111.8	I15 K19 I24 T26 E27 A32 F33 R34	I15-E30 HydrophobicContact CG2-CG 4.06Å; K19-E30 WeakPolarHBondContact CD-OE2 3.36Å; K19-E30 WeakPolarHBondContact CE-OE2 3.47Å; K19-E30 VanDerWaalsContact NZ-CD 3.27Å; K19-E30 IonicContact NZ-OE1 2.73Å; K19-E30 PolarHBondContact NZ-OE1 2.92Å; K19-E30 VanDerWaalsContact NZ-OE1 3.13Å; K19-E30 IonicContact NZ-OE2 3.39Å; K19-E30 PolarHBondContact NZ-OE2 3.31Å; I24-E30 HydrophobicContact CG2-CB 3.77Å; T26-E30 PolarHBondContact O-N 2.81Å; E27-E30 PolarHBondContact O-N 2.83Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 3.4Å; E30-F33 PolarHBondContact O-N 3.37Å; E30-R34 HydrophobicContact CG-CG 4.45Å; E30-R34 WeakPolarHBondContact O-CG 3.46Å; E30-R34 PolarHBondContact O-N 2.9Å; E30-R34 IonicContact OE1-CZ 2.73Å; E30-R34 IonicContact OE1-NE 2.82Å; E30-R34 PolarHBondContact OE1-NE 2.93Å; E30-R34 VanDerWaalsContact OE1-NE 3.15Å; E30-R34 IonicContact OE1-NH2 3.24Å; E30-R34 PolarHBondContact OE1-NH2 3.43Å
31	Q	97.2	Very high	97	Very high	81 Å²	81	40.4 Å²	40.4	38%	0.379	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-40.6	179.8	-74.4	178.7	4.6	0	0	112.1	E27 V29 R34 A35 F138	E27-Q31 HydrophobicContact CG-CG 4.37Å; E27-Q31 WeakPolarHBondContact O-CB 3.09Å; E27-Q31 VanDerWaalsContact O-CG 3.25Å; E27-Q31 WeakPolarHBondContact O-CG 3.26Å; E27-Q31 PolarHBondContact O-N 3.44Å; E27-Q31 PolarHBondContact OE1-NE2 3.22Å; V29-Q31 PolarHBondContact O-N 3Å; Q31-R34 PolarHBondContact O-N 3.38Å; Q31-A35 WeakPolarHBondContact O-CB 3.02Å; Q31-A35 PolarHBondContact O-N 3.49Å; Q31-F138 HydrophobicContact CB-CE1 4.11Å; Q31-F138 HydrophobicContact CB-CZ 4.09Å
32	A	97.7	Very high	97	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-42.7	177.2	0	0	0	0	0	112.3	S28 V29 E30 A35 I36 M73 M97 L100 I101	S28-A32 WeakPolarHBondContact O-CB 3.43Å; S28-A32 PolarHBondContact O-N 3.05Å; V29-A32 PolarHBondContact O-N 3.29Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 3.4Å; A32-A35 PolarHBondContact O-N 2.88Å; A32-I36 PolarHBondContact O-N 3.06Å; A32-M73 HydrophobicContact CB-CE 3.98Å; A32-M97 HydrophobicContact CB-CB 4.31Å; A32-L100 HydrophobicContact CB-CD1 4.47Å; A32-I101 HydrophobicContact CB-CD1 4.08Å; A32-I101 HydrophobicContact CB-CG1 4.06Å
33	F	98.1	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-36.2	177.6	-95.8	-89.5	0	0	0	113.1	N11 I15 I24 V29 E30 I36 M73 M97	N11-F33 PolarHBondContact ND2-O 3.03Å; I15-F33 HydrophobicContact CD1-CB 3.68Å; I15-F33 HydrophobicContact CD1-CD1 3.64Å; I15-F33 HydrophobicContact CD1-CG 4.06Å; I15-F33 HydrophobicContact CG1-CB 3.97Å; I15-F33 HydrophobicContact CG2-CB 4.45Å; I24-F33 HydrophobicContact CD1-CB 4.27Å; I24-F33 HydrophobicContact CD1-CD1 4.4Å; I24-F33 HydrophobicContact CD1-CD2 4.05Å; I24-F33 HydrophobicContact CD1-CE2 4.47Å; I24-F33 HydrophobicContact CD1-CG 4Å; V29-F33 HydrophobicContact CG1-CD2 3.73Å; V29-F33 HydrophobicContact CG1-CE2 3.81Å; V29-F33 WeakPolarHBondContact O-CD2 3.26Å; V29-F33 PolarHBondContact O-N 3.2Å; E30-F33 PolarHBondContact O-N 3.37Å; F33-I36 VanDerWaalsContact O-O 3.14Å; F33-M73 HydrophobicContact CD2-SD 3.95Å; F33-M73 HydrophobicContact CE2-CG 4.38Å; F33-M73 HydrophobicContact CE2-SD 3.36Å; F33-M73 WeakPolarHBondContact CE2-SD 3.35Å; F33-M73 HydrophobicContact CZ-SD 4.14Å; F33-M97 HydrophobicContact CD1-SD 3.94Å; F33-M97 HydrophobicContact CD2-SD 4.03Å; F33-M97 HydrophobicContact CE1-CE 4.27Å; F33-M97 HydrophobicContact CE1-SD 4.11Å; F33-M97 HydrophobicContact CE2-CE 4.41Å; F33-M97 HydrophobicContact CE2-SD 4.2Å; F33-M97 HydrophobicContact CG-SD 3.91Å; F33-M97 HydrophobicContact CZ-CE 4.12Å; F33-M97 HydrophobicContact CZ-SD 4.23Å
34	R	97.4	Very high	96.5	Very high	47 Å²	47	41.2 Å²	41.2	18%	0.177	20%	0.202	C	C	.	.	H	α-helix	trans	-73.6	-32.8	174.5	-65.9	-170.3	-174.3	-77.8	-1.1	112.7	D12 I15 D16 E30 Q31 I36	D12-R34 PolarHBondContact O-NH1 3.21Å; D12-R34 VanDerWaalsContact O-NH1 3.14Å; D12-R34 WeakPolarHBondContact OD1-CD 3.15Å; D12-R34 VanDerWaalsContact OD1-CG 3.28Å; D12-R34 WeakPolarHBondContact OD1-CG 3.41Å; D12-R34 IonicContact OD1-CZ 2.87Å; D12-R34 IonicContact OD1-NE 2.79Å; D12-R34 IonicContact OD1-NH1 3.76Å; D12-R34 PolarHBondContact OD1-NH1 2.98Å; I15-R34 HydrophobicContact CB-CG 4.26Å; I15-R34 HydrophobicContact CG1-CG 4.1Å; I15-R34 HydrophobicContact CG2-CG 3.98Å; D16-R34 IonicContact OD1-CZ 3.51Å; D16-R34 IonicContact OD1-NH1 3.36Å; D16-R34 IonicContact OD1-NH2 3.67Å; D16-R34 PolarHBondContact OD1-NH2 2.6Å; E30-R34 HydrophobicContact CG-CG 4.45Å; E30-R34 WeakPolarHBondContact O-CG 3.46Å; E30-R34 PolarHBondContact O-N 2.9Å; E30-R34 IonicContact OE1-CZ 2.73Å; E30-R34 IonicContact OE1-NE 2.82Å; E30-R34 PolarHBondContact OE1-NE 2.93Å; E30-R34 VanDerWaalsContact OE1-NE 3.15Å; E30-R34 IonicContact OE1-NH2 3.24Å; E30-R34 PolarHBondContact OE1-NH2 3.43Å; Q31-R34 PolarHBondContact O-N 3.38Å; R34-I36 VanDerWaalsContact C-N 3.35Å
35	A	96.1	Very high	96.2	Very high	6 Å²	6	44.6 Å²	44.6	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-28.9	-177.1	0	0	0	0	0	113.6	Q31 A32 L100 S134 F138	Q31-A35 WeakPolarHBondContact O-CB 3.02Å; Q31-A35 PolarHBondContact O-N 3.49Å; A32-A35 PolarHBondContact O-N 2.88Å; A35-L100 HydrophobicContact CB-CD1 3.48Å; A35-L100 VanDerWaalsContact CB-CD1 3.48Å; A35-S134 WeakPolarHBondContact O-CB 3.43Å; A35-S134 PolarHBondContact O-OG 3.32Å; A35-F138 HydrophobicContact CB-CD2 3.95Å; A35-F138 HydrophobicContact CB-CE2 3.4Å; A35-F138 HydrophobicContact CB-CZ 3.85Å
36	I	96.9	Very high	96	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	23%	0.233	C	C	.	.	S	Bend	trans	-112.4	105	179.7	-49.9	-64.5	0	0	0	108.8	A32 F33 R34 R38 Y41 Y93 T96 M97 L100 F128	A32-I36 PolarHBondContact O-N 3.06Å; F33-I36 VanDerWaalsContact O-O 3.14Å; R34-I36 VanDerWaalsContact C-N 3.35Å; I36-R38 PolarHBondContact O-N 3.32Å; I36-Y41 HydrophobicContact CG2-CD2 4.02Å; I36-Y41 HydrophobicContact CG2-CE2 3.32Å; I36-Y93 HydrophobicContact CB-CE2 4.18Å; I36-Y93 HydrophobicContact CG2-CD2 3.77Å; I36-Y93 HydrophobicContact CG2-CE2 3.6Å; I36-T96 HydrophobicContact CD1-CG2 3.58Å; I36-T96 HydrophobicContact CG1-CG2 4.33Å; I36-M97 HydrophobicContact CB-CG 3.88Å; I36-M97 HydrophobicContact CG1-CG 3.68Å; I36-M97 HydrophobicContact CG2-CG 4.45Å; I36-L100 HydrophobicContact CD1-CD1 3.75Å; I36-L100 HydrophobicContact CD1-CG 4.4Å; I36-L100 HydrophobicContact CG1-CD1 3.73Å; I36-F128 HydrophobicContact CD1-CD1 4.42Å; I36-F128 HydrophobicContact CD1-CD2 3.58Å; I36-F128 HydrophobicContact CD1-CE1 4.08Å; I36-F128 HydrophobicContact CD1-CE2 3.19Å; I36-F128 HydrophobicContact CD1-CG 4.19Å; I36-F128 HydrophobicContact CD1-CZ 3.47Å; I36-F128 VanDerWaalsContact CD1-CZ 3.47Å
37	D	96.8	Very high	95.7	Very high	40 Å²	40	44.6 Å²	44.6	21%	0.214	23%	0.232	C	C	.	.			trans	-65.8	119.6	174.7	-174.9	-23.8	0	0	0	109.7	G39 D40 R47 Y51	D37-G39 PolarHBondContact O-N 2.95Å; D37-G39 WeakPolarHBondContact OD1-CA 3.45Å; D37-G39 PolarHBondContact OD1-N 2.95Å; D37-D40 WeakPolarHBondContact O-CB 3.34Å; D37-D40 PolarHBondContact O-N 3.43Å; D37-D40 VanDerWaalsContact O-N 3.09Å; D37-R47 IonicContact OD1-NH2 3.59Å; D37-R47 IonicContact OD2-NH2 3.62Å; D37-R47 PolarHBondContact OD2-NH2 2.65Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.42Å; D37-Y51 PolarHBondContact OD1-OH 3.16Å; D37-Y51 PolarHBondContact OD2-OH 3.08Å
38	R	97.2	Very high	95.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-56.4	-34.7	177.3	-177.9	173.3	170.4	90.9	-0	113	N11 I36 D40 Y41 Y42 A50 L54 L63 S64 Y93	N11-R38 PolarHBondContact OD1-N 3.26Å; I36-R38 PolarHBondContact O-N 3.32Å; R38-D40 PolarHBondContact O-N 3.49Å; R38-Y41 PolarHBondContact O-N 2.88Å; R38-Y41 VanDerWaalsContact O-N 3.16Å; R38-Y42 HydrophobicContact CG-CE2 4.11Å; R38-Y42 PolarHBondContact NH2-OH 3.2Å; R38-Y42 WeakPolarHBondContact O-CD2 3.37Å; R38-A50 WeakPolarHBondContact CD-O 3.31Å; R38-A50 HydrophobicContact CG-CB 4.49Å; R38-A50 PolarHBondContact NE-O 2.99Å; R38-A50 VanDerWaalsContact NE-O 3.12Å; R38-L54 PolarHBondContact NH2-O 3.01Å; R38-L63 HydrophobicContact CG-CD2 4.33Å; R38-S64 VanDerWaalsContact CZ-O 3.29Å; R38-S64 PolarHBondContact NH1-O 2.97Å; R38-S64 PolarHBondContact NH2-O 2.78Å; R38-Y93 HydrophobicContact CB-CE2 4.09Å; R38-Y93 HydrophobicContact CG-CE2 4.49Å
39	G	96.6	Very high	95.1	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.031	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-62.7	-27.4	178.1	0	0	0	0	0	113.6	D37 Y41 Y42 A50	D37-G39 PolarHBondContact O-N 2.95Å; D37-G39 WeakPolarHBondContact OD1-CA 3.45Å; D37-G39 PolarHBondContact OD1-N 2.95Å; G39-Y41 PolarHBondContact O-N 3.48Å; G39-Y42 PolarHBondContact O-N 3.22Å; G39-A50 VanDerWaalsContact CA-CB 3.49Å
40	D	96.3	Very high	94.9	Very high	68 Å²	68	46.6 Å²	46.6	36%	0.364	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-68.5	-20.9	177.1	-67.4	-14.6	0	0	0	112.2	D37 R38 R47 K124	D37-D40 WeakPolarHBondContact O-CB 3.34Å; D37-D40 PolarHBondContact O-N 3.43Å; D37-D40 VanDerWaalsContact O-N 3.09Å; R38-D40 PolarHBondContact O-N 3.49Å; D40-R47 IonicContact OD1-CZ 3.77Å; D40-R47 VanDerWaalsContact OD1-CZ 3.24Å; D40-R47 IonicContact OD1-NH1 3.13Å; D40-R47 PolarHBondContact OD1-NH1 3.3Å; D40-R47 IonicContact OD1-NH2 2.8Å; D40-R47 PolarHBondContact OD1-NH2 3.4Å; D40-K124 VanDerWaalsContact O-CD 3.25Å; D40-K124 WeakPolarHBondContact O-CD 3.46Å; D40-K124 WeakPolarHBondContact O-CE 3.4Å; D40-K124 PolarHBondContact O-NZ 3.39Å
41	Y	96.9	Very high	94.8	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.016	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-94.6	-3.3	179.3	-73.6	-103.7	0	0	0	113.2	I36 R38 G39 T91 Y93 T96 Y120 K124	I36-Y41 HydrophobicContact CG2-CD2 4.02Å; I36-Y41 HydrophobicContact CG2-CE2 3.32Å; R38-Y41 PolarHBondContact O-N 2.88Å; R38-Y41 VanDerWaalsContact O-N 3.16Å; G39-Y41 PolarHBondContact O-N 3.48Å; Y41-T91 WeakPolarHBondContact CD1-O 3.46Å; Y41-Y93 HydrophobicContact CD1-CD2 4.17Å; Y41-Y93 HydrophobicContact CD1-CG 4.37Å; Y41-Y93 AromaticContact CD2-CD2 3.52Å; Y41-Y93 HydrophobicContact CD2-CD2 3.52Å; Y41-Y93 HydrophobicContact CD2-CE2 4.26Å; Y41-Y93 HydrophobicContact CD2-CG 4.44Å; Y41-Y93 VanDerWaalsContact CE1-CA 3.43Å; Y41-Y93 HydrophobicContact CE1-CD2 4.49Å; Y41-Y93 AromaticContact CE2-CD2 3.92Å; Y41-Y93 HydrophobicContact CE2-CD2 3.92Å; Y41-Y93 AromaticContact CG-CD2 3.66Å; Y41-Y93 HydrophobicContact CG-CD2 3.66Å; Y41-Y93 HydrophobicContact CG-CG 4.16Å; Y41-T96 VanDerWaalsContact OH-CB 3.22Å; Y41-T96 WeakPolarHBondContact OH-CB 3.46Å; Y41-T96 VanDerWaalsContact OH-CG2 3.29Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.36Å; Y41-T96 PolarHBondContact OH-OG1 3.5Å; Y41-Y120 PolarHBondContact O-OH 3.12Å; Y41-K124 HydrophobicContact CD1-CB 3.85Å; Y41-K124 HydrophobicContact CD1-CG 4.14Å; Y41-K124 HydrophobicContact CE1-CB 3.67Å; Y41-K124 HydrophobicContact CE1-CG 4.46Å
42	Y	96.2	Very high	94.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-81.4	159.2	169.3	-86.1	-119	0	0	0	111	R38 G39 Y46 N49 A50 W56 L63 Y120 K124	R38-Y42 HydrophobicContact CG-CE2 4.11Å; R38-Y42 PolarHBondContact NH2-OH 3.2Å; R38-Y42 WeakPolarHBondContact O-CD2 3.37Å; G39-Y42 PolarHBondContact O-N 3.22Å; Y42-Y46 VanDerWaalsContact CD1-O 3.28Å; Y42-Y46 WeakPolarHBondContact CD1-O 3.49Å; Y42-N49 HydrophobicContact CE1-CB 4.33Å; Y42-A50 HydrophobicContact CD1-CB 4.41Å; Y42-A50 HydrophobicContact CD2-CB 3.73Å; Y42-A50 HydrophobicContact CE1-CB 4.42Å; Y42-A50 HydrophobicContact CE2-CB 3.76Å; Y42-A50 HydrophobicContact CG-CB 4.08Å; Y42-W56 AromaticContact CD1-CD2 3.66Å; Y42-W56 HydrophobicContact CD1-CD2 3.66Å; Y42-W56 AromaticContact CD1-CE2 3.82Å; Y42-W56 AromaticContact CD1-CE3 3.9Å; Y42-W56 HydrophobicContact CD1-CE3 3.9Å; Y42-W56 HydrophobicContact CD1-CG 4.05Å; Y42-W56 HydrophobicContact CD1-CH2 4.43Å; Y42-W56 HydrophobicContact CD1-CZ2 4.22Å; Y42-W56 HydrophobicContact CD1-CZ3 4.27Å; Y42-W56 HydrophobicContact CD2-CE3 4.39Å; Y42-W56 HydrophobicContact CE1-CB 3.66Å; Y42-W56 AromaticContact CE1-CD1 3.72Å; Y42-W56 AromaticContact CE1-CD2 3.4Å; Y42-W56 HydrophobicContact CE1-CD2 3.4Å; Y42-W56 AromaticContact CE1-CE2 3.9Å; Y42-W56 AromaticContact CE1-CE3 3.86Å; Y42-W56 HydrophobicContact CE1-CE3 3.86Å; Y42-W56 AromaticContact CE1-CG 3.3Å; Y42-W56 HydrophobicContact CE1-CG 3.3Å; Y42-W56 HydrophobicContact CE2-CE3 4.33Å; Y42-W56 HydrophobicContact CG-CD2 4.4Å; Y42-W56 HydrophobicContact CG-CE3 4.19Å; Y42-W56 HydrophobicContact CG-CZ3 4.29Å; Y42-W56 AromaticContact CZ-CD2 3.93Å; Y42-W56 AromaticContact CZ-CG 3.74Å; Y42-W56 WeakPolarHBondContact OH-CB 3.15Å; Y42-L63 HydrophobicContact CD2-CD2 4.09Å; Y42-L63 HydrophobicContact CE2-CD2 3.8Å; Y42-Y120 PolarHBondContact O-OH 3.24Å; Y42-Y120 VanDerWaalsContact O-OH 3.11Å; Y42-K124 PolarHBondContact O-NZ 3.32Å; Y42-K124 VanDerWaalsContact O-NZ 3.14Å
43	L	94.3	Very high	94.7	Very high	49 Å²	49	47.3 Å²	47.3	26%	0.257	24%	0.243	S	C	.	.			trans	-67.7	143.4	162.7	-71.9	169.5	0	0	0	108.8	G45 Y46 W56 H58 I61 Y120	L43-G45 VanDerWaalsContact C-N 3.28Å; L43-G45 PolarHBondContact O-N 3.01Å; L43-G45 VanDerWaalsContact O-N 3.14Å; L43-Y46 HydrophobicContact CB-CD2 3.78Å; L43-Y46 HydrophobicContact CB-CE2 4.46Å; L43-Y46 HydrophobicContact CD1-CD2 4.46Å; L43-Y46 HydrophobicContact CD1-CE2 4.48Å; L43-Y46 PolarHBondContact O-N 2.92Å; L43-W56 HydrophobicContact CB-CH2 4.01Å; L43-W56 HydrophobicContact CB-CZ2 4.17Å; L43-W56 HydrophobicContact CD1-CH2 3.9Å; L43-W56 HydrophobicContact CD1-CZ2 4.06Å; L43-W56 HydrophobicContact CG-CH2 3.78Å; L43-W56 HydrophobicContact CG-CZ2 4.26Å; L43-H58 HydrophobicContact CD1-CB 4.1Å; L43-I61 HydrophobicContact CD1-CD1 4.48Å; L43-I61 HydrophobicContact CD2-CD1 4.42Å; L43-Y120 HydrophobicContact CD2-CE2 3.76Å; L43-Y120 PolarHBondContact N-OH 2.76Å
44	E	87.6	Confident	94.5	Very high	194 Å²	194	51.5 Å²	51.5	91%	0.907	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-53.3	-41.4	-168.7	-167.9	164.7	-162.3	0	0	113.4	Y46	E44-Y46 PolarHBondContact O-N 3.3Å
45	G	90.7	Very high	94.3	Very high	74 Å²	74	51.1 Å²	51.1	76%	0.763	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-74.3	0.7	177.6	0	0	0	0	0	116.2	L43	L43-G45 VanDerWaalsContact C-N 3.28Å; L43-G45 PolarHBondContact O-N 3.01Å; L43-G45 VanDerWaalsContact O-N 3.14Å
46	Y	92.9	Very high	94.3	Very high	93 Å²	93	52 Å²	52	37%	0.365	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-122.4	4.1	-175.5	-63.8	-85.8	0	0	0	113.7	Y42 L43 E44 D48 N49 W56 H58	Y42-Y46 VanDerWaalsContact CD1-O 3.28Å; Y42-Y46 WeakPolarHBondContact CD1-O 3.49Å; L43-Y46 HydrophobicContact CB-CD2 3.78Å; L43-Y46 HydrophobicContact CB-CE2 4.46Å; L43-Y46 HydrophobicContact CD1-CD2 4.46Å; L43-Y46 HydrophobicContact CD1-CE2 4.48Å; L43-Y46 PolarHBondContact O-N 2.92Å; E44-Y46 PolarHBondContact O-N 3.3Å; Y46-D48 PolarHBondContact O-N 3.47Å; Y46-N49 PolarHBondContact O-N 2.72Å; Y46-N49 VanDerWaalsContact O-N 3.1Å; Y46-W56 AromaticContact CD1-NE1 3.86Å; Y46-W56 HydrophobicContact CD2-CZ2 4.07Å; Y46-W56 AromaticContact CG-CZ2 4Å; Y46-W56 HydrophobicContact CG-CZ2 4Å; Y46-W56 AromaticContact CG-NE1 3.92Å; Y46-H58 AromaticContact CE2-ND1 3.85Å; Y46-H58 AromaticContact CZ-CE1 3.89Å; Y46-H58 AromaticContact CZ-ND1 3.61Å; Y46-H58 PolarHBondContact OH-CE1 3.07Å; Y46-H58 VanDerWaalsContact OH-CE1 3.25Å; Y46-H58 PolarHBondContact OH-ND1 3.4Å
47	R	92.6	Very high	94.1	Very high	87 Å²	87	58.8 Å²	58.8	33%	0.328	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-57.4	-33.1	-174.2	-164.8	-177.4	-178.3	111.4	-0.6	113.5	D37 D40 N49 A50 Y51	D37-R47 IonicContact OD1-NH2 3.59Å; D37-R47 IonicContact OD2-NH2 3.62Å; D37-R47 PolarHBondContact OD2-NH2 2.65Å; D40-R47 IonicContact OD1-CZ 3.77Å; D40-R47 VanDerWaalsContact OD1-CZ 3.24Å; D40-R47 IonicContact OD1-NH1 3.13Å; D40-R47 PolarHBondContact OD1-NH1 3.3Å; D40-R47 IonicContact OD1-NH2 2.8Å; D40-R47 PolarHBondContact OD1-NH2 3.4Å; R47-N49 PolarHBondContact O-N 2.75Å; R47-A50 WeakPolarHBondContact O-CB 3.35Å; R47-A50 PolarHBondContact O-N 3.09Å; R47-Y51 PolarHBondContact NE-OH 2.86Å; R47-Y51 PolarHBondContact NH2-OH 3.48Å
48	D	88.1	Confident	93.9	Very high	145 Å²	145	60.8 Å²	60.8	78%	0.775	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-59.5	-18.4	179	-62.2	-14.8	0	0	0	114.1	Y46	Y46-D48 PolarHBondContact O-N 3.47Å
49	N	91.1	Very high	93.8	Very high	64 Å²	64	63.6 Å²	63.6	34%	0.342	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-96.2	-2.6	176.5	-65.5	-52.1	0	0	0	113.4	Y42 Y46 R47 Y51 K52	Y42-N49 HydrophobicContact CE1-CB 4.33Å; Y46-N49 PolarHBondContact O-N 2.72Å; Y46-N49 VanDerWaalsContact O-N 3.1Å; R47-N49 PolarHBondContact O-N 2.75Å; N49-Y51 PolarHBondContact O-N 2.95Å; N49-K52 PolarHBondContact O-N 2.89Å; N49-K52 PolarHBondContact OD1-NZ 2.71Å
50	A	94.4	Very high	93.7	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.3	-174.1	0	0	0	0	0	112.9	R38 G39 Y42 R47 K52	R38-A50 WeakPolarHBondContact CD-O 3.31Å; R38-A50 HydrophobicContact CG-CB 4.49Å; R38-A50 PolarHBondContact NE-O 2.99Å; R38-A50 VanDerWaalsContact NE-O 3.12Å; G39-A50 VanDerWaalsContact CA-CB 3.49Å; Y42-A50 HydrophobicContact CD1-CB 4.41Å; Y42-A50 HydrophobicContact CD2-CB 3.73Å; Y42-A50 HydrophobicContact CE1-CB 4.42Å; Y42-A50 HydrophobicContact CE2-CB 3.76Å; Y42-A50 HydrophobicContact CG-CB 4.08Å; R47-A50 WeakPolarHBondContact O-CB 3.35Å; R47-A50 PolarHBondContact O-N 3.09Å; A50-K52 VanDerWaalsContact C-N 3.26Å; A50-K52 PolarHBondContact O-N 2.8Å
51	Y	96.6	Very high	93.6	Very high	30 Å²	30	64.6 Å²	64.6	12%	0.118	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	12.4	-174.6	-47.4	-52.8	0	0	0	113.8	A7 G8 N11 D37 R47 N49	A7-Y51 WeakPolarHBondContact CA-O 3.43Å; G8-Y51 PolarHBondContact N-O 3.08Å; N11-Y51 HydrophobicContact CB-CD1 4.2Å; N11-Y51 HydrophobicContact CB-CE1 3.78Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.42Å; D37-Y51 PolarHBondContact OD1-OH 3.16Å; D37-Y51 PolarHBondContact OD2-OH 3.08Å; R47-Y51 PolarHBondContact NE-OH 2.86Å; R47-Y51 PolarHBondContact NH2-OH 3.48Å; N49-Y51 PolarHBondContact O-N 2.95Å
52	K	95.3	Very high	93.4	Very high	79 Å²	79	67.5 Å²	67.5	34%	0.343	36%	0.358	S	S	.	.	S	Bend	trans	-92.1	141.8	170.5	-60.3	176.8	-174.8	169.3	0	108.2	A7 N49 A50 L54	A7-K52 HydrophobicContact CB-CB 4.5Å; A7-K52 HydrophobicContact CB-CG 3.89Å; N49-K52 PolarHBondContact O-N 2.89Å; N49-K52 PolarHBondContact OD1-NZ 2.71Å; A50-K52 VanDerWaalsContact C-N 3.26Å; A50-K52 PolarHBondContact O-N 2.8Å; K52-L54 HydrophobicContact CB-CB 4.46Å; K52-L54 HydrophobicContact CB-CD1 4.19Å; K52-L54 HydrophobicContact CB-CG 4.3Å; K52-L54 HydrophobicContact CD-CD1 4.49Å; K52-L54 PolarHBondContact O-N 2.91Å
53	D	95.8	Very high	93.3	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.021	36%	0.357	C	S	.	.	S	Bend	trans	-73.8	64.8	172.7	-178.5	40.6	0	0	0	111.2	G2 G3 A4 V5 P66 C67	G2-D53 CarbonylContact C-O 3.53Å; G2-D53 WeakPolarHBondContact CA-O 3.09Å; G3-D53 PolarHBondContact N-O 2.73Å; G3-D53 PolarHBondContact N-OD2 2.77Å; A4-D53 WeakPolarHBondContact CB-OD2 3.34Å; A4-D53 PolarHBondContact N-OD2 3.1Å; V5-D53 HydrophobicContact CG2-CB 3.59Å; D53-P66 VanDerWaalsContact OD1-CD 3.32Å; D53-P66 WeakPolarHBondContact OD1-CD 3.42Å; D53-C67 VanDerWaalsContact CG-SG 3.57Å; D53-C67 WeakPolarHBondContact OD1-CB 3.22Å; D53-C67 PolarHBondContact OD1-N 2.85Å; D53-C67 PolarHBondContact OD1-SG 2.94Å; D53-C67 PolarHBondContact OD2-SG 2.76Å
54	L	94.6	Very high	93.3	Very high	88 Å²	88	65.1 Å²	65.1	46%	0.461	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-138.2	143.7	-176.7	-67.7	174.2	0	0	0	109.8	R38 K52	R38-L54 PolarHBondContact NH2-O 3.01Å; K52-L54 HydrophobicContact CB-CB 4.46Å; K52-L54 HydrophobicContact CB-CD1 4.19Å; K52-L54 HydrophobicContact CB-CG 4.3Å; K52-L54 HydrophobicContact CD-CD1 4.49Å; K52-L54 PolarHBondContact O-N 2.91Å
55	A	94.1	Very high	93.7	Very high	38 Å²	38	55.9 Å²	55.9	31%	0.314	30%	0.303	S	S	.	.			trans	-66.4	146.7	165.9	0	0	0	0	0	109.8	M1 L63	M1-A55 PolarHBondContact O-N 2.97Å; M1-A55 VanDerWaalsContact O-N 3.14Å; A55-L63 CarbonylContact C-O 3.56Å; A55-L63 VanDerWaalsContact CA-O 3.27Å; A55-L63 WeakPolarHBondContact CA-O 3.43Å
56	W	94.4	Very high	94	Very high	24 Å²	24	52.4 Å²	52.4	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.9	178.1	172.5	74.4	0	0	0	110.3	Y42 L43 Y46 H58 I61 H62 L63	Y42-W56 AromaticContact CD1-CD2 3.66Å; Y42-W56 HydrophobicContact CD1-CD2 3.66Å; Y42-W56 AromaticContact CD1-CE2 3.82Å; Y42-W56 AromaticContact CD1-CE3 3.9Å; Y42-W56 HydrophobicContact CD1-CE3 3.9Å; Y42-W56 HydrophobicContact CD1-CG 4.05Å; Y42-W56 HydrophobicContact CD1-CH2 4.43Å; Y42-W56 HydrophobicContact CD1-CZ2 4.22Å; Y42-W56 HydrophobicContact CD1-CZ3 4.27Å; Y42-W56 HydrophobicContact CD2-CE3 4.39Å; Y42-W56 HydrophobicContact CE1-CB 3.66Å; Y42-W56 AromaticContact CE1-CD1 3.72Å; Y42-W56 AromaticContact CE1-CD2 3.4Å; Y42-W56 HydrophobicContact CE1-CD2 3.4Å; Y42-W56 AromaticContact CE1-CE2 3.9Å; Y42-W56 AromaticContact CE1-CE3 3.86Å; Y42-W56 HydrophobicContact CE1-CE3 3.86Å; Y42-W56 AromaticContact CE1-CG 3.3Å; Y42-W56 HydrophobicContact CE1-CG 3.3Å; Y42-W56 HydrophobicContact CE2-CE3 4.33Å; Y42-W56 HydrophobicContact CG-CD2 4.4Å; Y42-W56 HydrophobicContact CG-CE3 4.19Å; Y42-W56 HydrophobicContact CG-CZ3 4.29Å; Y42-W56 AromaticContact CZ-CD2 3.93Å; Y42-W56 AromaticContact CZ-CG 3.74Å; Y42-W56 WeakPolarHBondContact OH-CB 3.15Å; L43-W56 HydrophobicContact CB-CH2 4.01Å; L43-W56 HydrophobicContact CB-CZ2 4.17Å; L43-W56 HydrophobicContact CD1-CH2 3.9Å; L43-W56 HydrophobicContact CD1-CZ2 4.06Å; L43-W56 HydrophobicContact CG-CH2 3.78Å; L43-W56 HydrophobicContact CG-CZ2 4.26Å; Y46-W56 AromaticContact CD1-NE1 3.86Å; Y46-W56 HydrophobicContact CD2-CZ2 4.07Å; Y46-W56 AromaticContact CG-CZ2 4Å; Y46-W56 HydrophobicContact CG-CZ2 4Å; Y46-W56 AromaticContact CG-NE1 3.92Å; W56-H58 HydrophobicContact CH2-CB 4.19Å; W56-H58 HydrophobicContact CZ2-CB 3.67Å; W56-I61 HydrophobicContact CE3-CG2 4.44Å; W56-I61 HydrophobicContact CH2-CG2 3.95Å; W56-I61 HydrophobicContact CZ3-CG2 3.55Å; W56-H62 CarbonylContact O-C 3.33Å; W56-H62 WeakPolarHBondContact O-CA 3.36Å; W56-H62 PolarHBondContact O-CD2 2.66Å; W56-L63 HydrophobicContact CE3-CB 4.46Å; W56-L63 HydrophobicContact CE3-CD1 3.77Å; W56-L63 HydrophobicContact CZ3-CD1 3.82Å; W56-L63 PolarHBondContact N-O 3.46Å; W56-L63 PolarHBondContact O-N 2.86Å
57	K	93.2	Very high	94.2	Very high	146 Å²	146	48.3 Å²	48.3	64%	0.635	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.3	179.4	-169.1	177.8	177.6	177.1	0	110.1	G59 I61	K57-G59 WeakPolarHBondContact CE-O 3.47Å; K57-I61 CarbonylContact C-O 3.56Å; K57-I61 VanDerWaalsContact CA-O 3.31Å; K57-I61 WeakPolarHBondContact CA-O 3.45Å; K57-I61 WeakPolarHBondContact CG-O 3.49Å
58	H	94.1	Very high	94.4	Very high	83 Å²	83	44.3 Å²	44.3	38%	0.384	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	112.9	169.5	-172.8	90.7	0	0	0	109.5	L43 Y46 W56 N60 I61	L43-H58 HydrophobicContact CD1-CB 4.1Å; Y46-H58 AromaticContact CE2-ND1 3.85Å; Y46-H58 AromaticContact CZ-CE1 3.89Å; Y46-H58 AromaticContact CZ-ND1 3.61Å; Y46-H58 PolarHBondContact OH-CE1 3.07Å; Y46-H58 VanDerWaalsContact OH-CE1 3.25Å; Y46-H58 PolarHBondContact OH-ND1 3.4Å; W56-H58 HydrophobicContact CH2-CB 4.19Å; W56-H58 HydrophobicContact CZ2-CB 3.67Å; H58-N60 PolarHBondContact O-N 3.11Å; H58-I61 PolarHBondContact N-O 2.94Å; H58-I61 WeakPolarHBondContact O-CB 3.22Å; H58-I61 PolarHBondContact O-N 3.02Å
59	G	94.3	Very high	94.8	Very high	59 Å²	59	38 Å²	38	61%	0.608	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	-126.8	-170.2	0	0	0	0	0	111.4	K57	K57-G59 WeakPolarHBondContact CE-O 3.47Å
60	N	94.6	Very high	95.1	Very high	73 Å²	73	35 Å²	35	39%	0.39	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-18.7	175.1	-62	-30.2	0	0	0	112.9	H58 H62 H114 D116 V117	H58-N60 PolarHBondContact O-N 3.11Å; N60-H62 PolarHBondContact O-N 2.94Å; N60-H114 HydrophobicContact CB-CB 4.15Å; N60-D116 PolarHBondContact ND2-OD1 3.1Å; N60-D116 PolarHBondContact ND2-OD2 3.01Å; N60-V117 HydrophobicContact CB-CG2 3.48Å; N60-V117 VanDerWaalsContact CB-CG2 3.48Å
61	I	94	Very high	95.3	Very high	18 Å²	18	36 Å²	36	9%	0.092	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.5	-179.1	-66.1	175.2	0	0	0	109.8	L43 W56 K57 H58 T91 V117 Y120	L43-I61 HydrophobicContact CD1-CD1 4.48Å; L43-I61 HydrophobicContact CD2-CD1 4.42Å; W56-I61 HydrophobicContact CE3-CG2 4.44Å; W56-I61 HydrophobicContact CH2-CG2 3.95Å; W56-I61 HydrophobicContact CZ3-CG2 3.55Å; K57-I61 CarbonylContact C-O 3.56Å; K57-I61 VanDerWaalsContact CA-O 3.31Å; K57-I61 WeakPolarHBondContact CA-O 3.45Å; K57-I61 WeakPolarHBondContact CG-O 3.49Å; H58-I61 PolarHBondContact N-O 2.94Å; H58-I61 WeakPolarHBondContact O-CB 3.22Å; H58-I61 PolarHBondContact O-N 3.02Å; I61-T91 HydrophobicContact CG2-CG2 3.44Å; I61-T91 VanDerWaalsContact CG2-CG2 3.44Å; I61-V117 HydrophobicContact CG1-CG2 4.29Å; I61-Y120 HydrophobicContact CD1-CD1 4.03Å; I61-Y120 HydrophobicContact CD1-CD2 3.87Å; I61-Y120 HydrophobicContact CD1-CE1 4.2Å; I61-Y120 HydrophobicContact CD1-CE2 4.04Å; I61-Y120 HydrophobicContact CD1-CG 3.83Å; I61-Y120 HydrophobicContact CG1-CD1 4.49Å; I61-Y120 HydrophobicContact CG2-CE1 4.39Å
62	H	92.4	Very high	95.4	Very high	66 Å²	66	34.5 Å²	34.5	31%	0.306	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.1	178.7	178.7	-103.5	0	0	0	111.6	W56 N60	W56-H62 CarbonylContact O-C 3.33Å; W56-H62 WeakPolarHBondContact O-CA 3.36Å; W56-H62 PolarHBondContact O-CD2 2.66Å; N60-H62 PolarHBondContact O-N 2.94Å
63	L	94.6	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127	166	-87.9	84.3	0	0	0	109.3	R38 Y42 A55 W56 T91 Y93	R38-L63 HydrophobicContact CG-CD2 4.33Å; Y42-L63 HydrophobicContact CD2-CD2 4.09Å; Y42-L63 HydrophobicContact CE2-CD2 3.8Å; A55-L63 CarbonylContact C-O 3.56Å; A55-L63 VanDerWaalsContact CA-O 3.27Å; A55-L63 WeakPolarHBondContact CA-O 3.43Å; W56-L63 HydrophobicContact CE3-CB 4.46Å; W56-L63 HydrophobicContact CE3-CD1 3.77Å; W56-L63 HydrophobicContact CZ3-CD1 3.82Å; W56-L63 PolarHBondContact N-O 3.46Å; W56-L63 PolarHBondContact O-N 2.86Å; L63-T91 HydrophobicContact CD1-CG2 3.25Å; L63-T91 VanDerWaalsContact CD1-OG1 3.29Å; L63-T91 WeakPolarHBondContact CD1-OG1 3.35Å; L63-T91 HydrophobicContact CG-CG2 4.36Å; L63-Y93 HydrophobicContact CD2-CD1 4.46Å; L63-Y93 HydrophobicContact CD2-CG 4.4Å
64	S	94.9	Very high	95.6	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.021	17%	0.172	C	C	.	.			trans	-66.9	159.4	171.5	-57	0	0	0	0	111.2	R38 Y69	R38-S64 VanDerWaalsContact CZ-O 3.29Å; R38-S64 PolarHBondContact NH1-O 2.97Å; R38-S64 PolarHBondContact NH2-O 2.78Å; S64-Y69 PolarHBondContact N-OH 3.3Å; S64-Y69 VanDerWaalsContact N-OH 3.15Å; S64-Y69 WeakPolarHBondContact O-CE2 3.35Å
65	A	95.8	Very high	95.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.153	C	C	.	.			trans	-60.7	144	176.4	0	0	0	0	0	111.1	C67 I68 Y69	A65-C67 VanDerWaalsContact C-N 3.3Å; A65-C67 PolarHBondContact O-N 2.95Å; A65-I68 HydrophobicContact CB-CG1 4.12Å; A65-I68 WeakPolarHBondContact O-CB 3.38Å; A65-I68 PolarHBondContact O-N 3.12Å; A65-Y69 PolarHBondContact O-N 3.02Å
66	P	97	Very high	96	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-48.1	-45.8	176.1	-27.6	32.9	0	0	0	114.3	L14 L18 D53 I68 Y69 S70	L14-P66 HydrophobicContact CD1-CB 4.41Å; L14-P66 HydrophobicContact CD1-CG 4.35Å; L14-P66 HydrophobicContact CD2-CB 4.08Å; L14-P66 HydrophobicContact CD2-CG 3.7Å; L18-P66 HydrophobicContact CD1-CB 3.72Å; L18-P66 HydrophobicContact CD2-CB 4.45Å; D53-P66 VanDerWaalsContact OD1-CD 3.32Å; D53-P66 WeakPolarHBondContact OD1-CD 3.42Å; P66-I68 PolarHBondContact O-N 3.43Å; P66-Y69 PolarHBondContact O-N 3.49Å; P66-Y69 VanDerWaalsContact O-N 3.17Å; P66-S70 PolarHBondContact O-N 3.43Å; P66-S70 PolarHBondContact O-OG 2.8Å
67	C	96.3	Very high	96.2	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-31.3	178.4	61.2	0	0	0	0	113.8	A4 L18 Y23 D53 A65 S70 E71	A4-C67 HydrophobicContact CB-CB 4.14Å; L18-C67 HydrophobicContact CD2-CB 4.01Å; Y23-C67 HydrophobicContact CD1-CB 3.75Å; Y23-C67 HydrophobicContact CE1-CB 3.81Å; Y23-C67 HydrophobicContact CG-CB 4.24Å; D53-C67 VanDerWaalsContact CG-SG 3.57Å; D53-C67 WeakPolarHBondContact OD1-CB 3.22Å; D53-C67 PolarHBondContact OD1-N 2.85Å; D53-C67 PolarHBondContact OD1-SG 2.94Å; D53-C67 PolarHBondContact OD2-SG 2.76Å; A65-C67 VanDerWaalsContact C-N 3.3Å; A65-C67 PolarHBondContact O-N 2.95Å; C67-S70 VanDerWaalsContact C-OG 3.27Å; C67-S70 VanDerWaalsContact CA-OG 3.29Å; C67-S70 WeakPolarHBondContact CA-OG 3.4Å; C67-S70 PolarHBondContact O-OG 2.89Å; C67-E71 PolarHBondContact O-N 3.35Å
68	I	96.4	Very high	96.5	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-72.9	-46	177	-58.8	-60.3	0	0	0	109.9	M1 A65 P66 S70 E71 V72 L212 V214 F216	M1-I68 HydrophobicContact CB-CG1 4.35Å; M1-I68 HydrophobicContact CE-CD1 4.01Å; M1-I68 HydrophobicContact CE-CG1 3.89Å; M1-I68 HydrophobicContact CE-CG2 4.26Å; M1-I68 HydrophobicContact SD-CD1 3.74Å; M1-I68 HydrophobicContact SD-CG1 4.16Å; A65-I68 HydrophobicContact CB-CG1 4.12Å; A65-I68 WeakPolarHBondContact O-CB 3.38Å; A65-I68 PolarHBondContact O-N 3.12Å; P66-I68 PolarHBondContact O-N 3.43Å; I68-S70 VanDerWaalsContact C-N 3.31Å; I68-S70 PolarHBondContact O-N 2.8Å; I68-E71 PolarHBondContact O-N 3.15Å; I68-V72 HydrophobicContact CG2-CG2 4.45Å; I68-V72 VanDerWaalsContact O-CG2 3.25Å; I68-V72 WeakPolarHBondContact O-CG2 3.46Å; I68-V72 PolarHBondContact O-N 2.92Å; I68-L212 HydrophobicContact CD1-CD1 3.71Å; I68-V214 HydrophobicContact CD1-CG1 3.97Å; I68-F216 HydrophobicContact CG2-CE2 4.44Å; I68-F216 HydrophobicContact CG2-CZ 3.77Å
69	Y	97.7	Very high	96.6	Very high	13 Å²	13	25.5 Å²	25.5	5%	0.051	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-36.2	177.5	-73.3	-35.2	0	0	0	112.3	S64 A65 P66 V72 M73 Y93 L94 Y164	S64-Y69 PolarHBondContact N-OH 3.3Å; S64-Y69 VanDerWaalsContact N-OH 3.15Å; S64-Y69 WeakPolarHBondContact O-CE2 3.35Å; A65-Y69 PolarHBondContact O-N 3.02Å; P66-Y69 PolarHBondContact O-N 3.49Å; P66-Y69 VanDerWaalsContact O-N 3.17Å; Y69-V72 PolarHBondContact O-N 3.42Å; Y69-M73 WeakPolarHBondContact O-CB 3.27Å; Y69-M73 VanDerWaalsContact O-CG 3.3Å; Y69-M73 WeakPolarHBondContact O-CG 3.44Å; Y69-M73 PolarHBondContact O-N 3.18Å; Y69-Y93 AromaticContact CD2-CD1 3.79Å; Y69-Y93 HydrophobicContact CD2-CD1 3.79Å; Y69-Y93 AromaticContact CD2-CE1 3.85Å; Y69-Y93 HydrophobicContact CD2-CE1 3.85Å; Y69-Y93 AromaticContact CE2-CD1 3.64Å; Y69-Y93 HydrophobicContact CE2-CD1 3.64Å; Y69-Y93 HydrophobicContact CE2-CE1 4.16Å; Y69-L94 HydrophobicContact CD1-CB 4.29Å; Y69-L94 HydrophobicContact CD1-CD1 3.91Å; Y69-L94 HydrophobicContact CD1-CD2 4.17Å; Y69-L94 HydrophobicContact CD1-CG 4.35Å; Y69-L94 HydrophobicContact CE1-CB 4.08Å; Y69-L94 HydrophobicContact CE1-CD2 4.18Å; Y69-L94 HydrophobicContact CE1-CG 4.5Å; Y69-L94 HydrophobicContact CG-CD1 4.24Å; Y69-Y164 HydrophobicContact CE1-CE1 4.45Å
70	S	97.6	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-45.6	176.3	52.8	0	0	0	0	111.6	Y23 P66 C67 I68 V72 M73 E74	Y23-S70 WeakPolarHBondContact CB-OG 3.42Å; P66-S70 PolarHBondContact O-N 3.43Å; P66-S70 PolarHBondContact O-OG 2.8Å; C67-S70 VanDerWaalsContact C-OG 3.27Å; C67-S70 VanDerWaalsContact CA-OG 3.29Å; C67-S70 WeakPolarHBondContact CA-OG 3.4Å; C67-S70 PolarHBondContact O-OG 2.89Å; I68-S70 VanDerWaalsContact C-N 3.31Å; I68-S70 PolarHBondContact O-N 2.8Å; S70-V72 VanDerWaalsContact C-N 3.35Å; S70-V72 PolarHBondContact O-N 3.2Å; S70-M73 PolarHBondContact O-N 3.1Å; S70-E74 WeakPolarHBondContact O-CB 3.33Å; S70-E74 VanDerWaalsContact O-CG 3.24Å; S70-E74 WeakPolarHBondContact O-CG 3.32Å; S70-E74 PolarHBondContact O-N 2.82Å
71	E	97.6	Very high	96.9	Very high	20 Å²	20	25.7 Å²	25.7	9%	0.093	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-38.8	176.8	-75.8	-66.7	160	0	0	112.4	Y23 R25 C67 I68 A75 I211 L212	Y23-E71 HydrophobicContact CD1-CG 3.77Å; Y23-E71 HydrophobicContact CE1-CG 4.14Å; R25-E71 IonicContact CZ-OE1 3.14Å; R25-E71 IonicContact CZ-OE2 3.96Å; R25-E71 IonicContact NH1-OE1 2.73Å; R25-E71 PolarHBondContact NH1-OE1 3.15Å; R25-E71 IonicContact NH1-OE2 3.26Å; R25-E71 IonicContact NH2-OE1 2.76Å; R25-E71 PolarHBondContact NH2-OE1 3.24Å; R25-E71 IonicContact NH2-OE2 3.4Å; R25-E71 PolarHBondContact NH2-OE2 2.91Å; C67-E71 PolarHBondContact O-N 3.35Å; I68-E71 PolarHBondContact O-N 3.15Å; E71-A75 WeakPolarHBondContact O-CB 3.16Å; E71-A75 PolarHBondContact O-N 2.97Å; E71-I211 HydrophobicContact CB-CG2 4.33Å; E71-I211 WeakPolarHBondContact OE2-CG2 3.42Å; E71-L212 HydrophobicContact CB-CD2 3.86Å; E71-L212 HydrophobicContact CG-CD2 3.83Å
72	V	98.3	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-49.4	173.4	169.2	0	0	0	0	110.7	I68 Y69 S70 E74 A75 L76 L94 Y164 V188 L195	I68-V72 HydrophobicContact CG2-CG2 4.45Å; I68-V72 VanDerWaalsContact O-CG2 3.25Å; I68-V72 WeakPolarHBondContact O-CG2 3.46Å; I68-V72 PolarHBondContact O-N 2.92Å; Y69-V72 PolarHBondContact O-N 3.42Å; S70-V72 VanDerWaalsContact C-N 3.35Å; S70-V72 PolarHBondContact O-N 3.2Å; V72-E74 PolarHBondContact O-N 3.03Å; V72-A75 PolarHBondContact O-N 3.41Å; V72-L76 HydrophobicContact CG1-CD1 3.69Å; V72-L76 HydrophobicContact CG1-CG 4.27Å; V72-L76 WeakPolarHBondContact O-CB 3.4Å; V72-L76 WeakPolarHBondContact O-CG 3.24Å; V72-L76 PolarHBondContact O-N 2.92Å; V72-L94 HydrophobicContact CG1-CD2 4.33Å; V72-Y164 HydrophobicContact CB-CD2 4.34Å; V72-Y164 HydrophobicContact CB-CE2 4.26Å; V72-Y164 HydrophobicContact CG1-CD1 4.29Å; V72-Y164 HydrophobicContact CG1-CD2 3.43Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.43Å; V72-Y164 HydrophobicContact CG1-CE2 3.77Å; V72-Y164 HydrophobicContact CG1-CG 3.71Å; V72-Y164 HydrophobicContact CG2-CD2 3.88Å; V72-Y164 HydrophobicContact CG2-CE2 3.41Å; V72-Y164 VanDerWaalsContact CG2-CE2 3.41Å; V72-V188 HydrophobicContact CG1-CG1 4.48Å; V72-V188 HydrophobicContact CG2-CG1 4.1Å; V72-L195 HydrophobicContact CG2-CD1 4.39Å; V72-L195 HydrophobicContact CG2-CD2 3.96Å
73	M	98.3	Very high	97.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-40.8	-178.7	-73.1	-173.6	70	0	0	112.3	V29 A32 F33 Y69 S70 L76 L78 L94 M97 I101	V29-M73 HydrophobicContact CG1-CB 3.99Å; V29-M73 HydrophobicContact CG1-CE 4.47Å; V29-M73 HydrophobicContact CG2-CB 4.03Å; A32-M73 HydrophobicContact CB-CE 3.98Å; F33-M73 HydrophobicContact CD2-SD 3.95Å; F33-M73 HydrophobicContact CE2-CG 4.38Å; F33-M73 HydrophobicContact CE2-SD 3.36Å; F33-M73 WeakPolarHBondContact CE2-SD 3.35Å; F33-M73 HydrophobicContact CZ-SD 4.14Å; Y69-M73 WeakPolarHBondContact O-CB 3.27Å; Y69-M73 VanDerWaalsContact O-CG 3.3Å; Y69-M73 WeakPolarHBondContact O-CG 3.44Å; Y69-M73 PolarHBondContact O-N 3.18Å; S70-M73 PolarHBondContact O-N 3.1Å; M73-L76 PolarHBondContact O-N 3.2Å; M73-L78 HydrophobicContact CE-CD1 4.47Å; M73-L94 HydrophobicContact CG-CD1 3.7Å; M73-L94 HydrophobicContact SD-CD1 3.97Å; M73-M97 HydrophobicContact CE-CB 4Å; M73-M97 HydrophobicContact SD-CB 4.11Å; M73-M97 HydrophobicContact SD-CE 3.87Å; M73-M97 HydrophobicContact SD-SD 4.18Å; M73-I101 HydrophobicContact CE-CD1 3.38Å; M73-I101 HydrophobicContact CE-CG1 4.5Å
74	E	98.3	Very high	97.5	Very high	21 Å²	21	23.3 Å²	23.3	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-44.5	174.3	-72.5	-67.5	163.7	0	0	111.8	R25 T26 S70 V72 L76 K77	R25-E74 PolarHBondContact N-OE1 3.34Å; R25-E74 IonicContact NE-OE2 2.66Å; R25-E74 VanDerWaalsContact NH2-CB 3.33Å; T26-E74 WeakPolarHBondContact CG2-OE2 3.41Å; T26-E74 PolarHBondContact N-OE1 3.28Å; T26-E74 PolarHBondContact OG1-OE1 3.1Å; T26-E74 PolarHBondContact OG1-OE2 3.21Å; S70-E74 WeakPolarHBondContact O-CB 3.33Å; S70-E74 VanDerWaalsContact O-CG 3.24Å; S70-E74 WeakPolarHBondContact O-CG 3.32Å; S70-E74 PolarHBondContact O-N 2.82Å; V72-E74 PolarHBondContact O-N 3.03Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.45Å; E74-K77 PolarHBondContact O-N 3.22Å
75	A	98.3	Very high	97.7	Very high	8 Å²	8	23.1 Å²	23.1	7%	0.066	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-32.5	179.4	0	0	0	0	0	112.5	E71 V72 K77 V188 Q197 I211	E71-A75 WeakPolarHBondContact O-CB 3.16Å; E71-A75 PolarHBondContact O-N 2.97Å; V72-A75 PolarHBondContact O-N 3.41Å; A75-K77 PolarHBondContact O-N 3.01Å; A75-V188 HydrophobicContact CB-CG2 3.84Å; A75-Q197 PolarHBondContact O-NE2 3.34Å; A75-I211 HydrophobicContact CB-CD1 3.49Å; A75-I211 VanDerWaalsContact CB-CD1 3.49Å
76	L	98.5	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-19.7	178.2	-73.1	167.7	0	0	0	112.4	V72 M73 E74 L78 F84 R162 I163 V188	V72-L76 HydrophobicContact CG1-CD1 3.69Å; V72-L76 HydrophobicContact CG1-CG 4.27Å; V72-L76 WeakPolarHBondContact O-CB 3.4Å; V72-L76 WeakPolarHBondContact O-CG 3.24Å; V72-L76 PolarHBondContact O-N 2.92Å; M73-L76 PolarHBondContact O-N 3.2Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.45Å; L76-L78 HydrophobicContact CB-CD1 4.35Å; L76-L78 HydrophobicContact CB-CD2 4.17Å; L76-L78 HydrophobicContact CB-CG 3.84Å; L76-L78 HydrophobicContact CD1-CD1 4.49Å; L76-L78 PolarHBondContact O-N 3.43Å; L76-F84 HydrophobicContact CD1-CD2 4.47Å; L76-F84 HydrophobicContact CD1-CE2 3.71Å; L76-F84 HydrophobicContact CD1-CZ 4.37Å; L76-R162 HydrophobicContact CD2-CB 4.24Å; L76-R162 WeakPolarHBondContact O-CD 3.29Å; L76-R162 PolarHBondContact O-NE 3.39Å; L76-I163 WeakPolarHBondContact CD2-O 3.44Å; L76-V188 HydrophobicContact CD2-CB 4.16Å; L76-V188 HydrophobicContact CD2-CG2 3.72Å; L76-V188 HydrophobicContact CG-CG2 3.97Å
77	K	98.1	Very high	97.8	Very high	127 Å²	127	23.2 Å²	23.2	55%	0.552	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	46	52.4	-178.6	-57.3	-177.1	-179.3	179.1	0	111.7	E74 A75 R162 I186	E74-K77 PolarHBondContact O-N 3.22Å; A75-K77 PolarHBondContact O-N 3.01Å; K77-R162 PolarHBondContact O-NE 3.46Å; K77-R162 PolarHBondContact O-NH2 3.37Å; K77-R162 VanDerWaalsContact O-NH2 3.11Å; K77-I186 HydrophobicContact CB-CD1 4Å; K77-I186 HydrophobicContact CD-CD1 3.96Å; K77-I186 HydrophobicContact CG-CD1 4.15Å
78	L	98.4	Very high	97.8	Very high	7 Å²	7	24 Å²	24	4%	0.037	14%	0.138	C	C	.	.			trans	-63.4	145.9	-178.3	-66.2	160.5	0	0	0	110.1	M73 L76 F84 V98 I101 L102 R162	M73-L78 HydrophobicContact CE-CD1 4.47Å; L76-L78 HydrophobicContact CB-CD1 4.35Å; L76-L78 HydrophobicContact CB-CD2 4.17Å; L76-L78 HydrophobicContact CB-CG 3.84Å; L76-L78 HydrophobicContact CD1-CD1 4.49Å; L76-L78 PolarHBondContact O-N 3.43Å; L78-F84 HydrophobicContact CD2-CD2 4.4Å; L78-V98 HydrophobicContact CD1-CB 4.33Å; L78-V98 HydrophobicContact CD1-CG1 4.07Å; L78-V98 HydrophobicContact CD1-CG2 3.74Å; L78-V98 HydrophobicContact CD2-CG1 3.88Å; L78-I101 HydrophobicContact CB-CB 4.33Å; L78-I101 HydrophobicContact CB-CG2 3.64Å; L78-I101 HydrophobicContact CD1-CD1 4.12Å; L78-L102 HydrophobicContact CD2-CD2 4.21Å; L78-R162 HydrophobicContact CD2-CB 4.21Å; L78-R162 HydrophobicContact CD2-CG 4.07Å
79	Q	97.6	Very high	97.8	Very high	108 Å²	108	24.1 Å²	24.1	51%	0.505	14%	0.139	S	C	.	.			trans	-145.3	155.5	178.9	-66.4	-62.8	-49.5	0	0	109.7	G81 L82 L102	Q79-G81 PolarHBondContact O-N 2.99Å; Q79-L82 HydrophobicContact CB-CD1 3.84Å; Q79-L82 HydrophobicContact CB-CG 4.06Å; Q79-L82 HydrophobicContact CG-CD1 4.45Å; Q79-L82 WeakPolarHBondContact O-CG 3.43Å; Q79-L82 PolarHBondContact O-N 3.25Å; Q79-L102 WeakPolarHBondContact O-CD2 3.33Å
80	P	97.6	Very high	97.7	Very high	98 Å²	98	23.9 Å²	23.9	64%	0.636	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	138.4	175.6	-26.8	35.2	0	0	0	112.8	L82 L102	P80-L82 VanDerWaalsContact C-N 3.31Å; P80-L82 PolarHBondContact O-N 3.47Å; P80-L102 CarbonylContact C-O 3.47Å; P80-L102 VanDerWaalsContact CA-O 3.24Å; P80-L102 WeakPolarHBondContact CA-O 3.41Å
81	G	96.1	Very high	97.7	Very high	38 Å²	38	23.9 Å²	23.9	39%	0.392	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-4.3	177	0	0	0	0	0	116	Q79 L102	Q79-G81 PolarHBondContact O-N 2.99Å; G81-L102 PolarHBondContact N-O 2.87Å
82	L	97.8	Very high	97.7	Very high	33 Å²	33	23 Å²	23	17%	0.173	14%	0.136	C	C	.	.			trans	-71.8	157.8	175.5	-64.2	-175.2	0	0	0	112.3	Q79 P80 L102 G106 I107 D161 R162	Q79-L82 HydrophobicContact CB-CD1 3.84Å; Q79-L82 HydrophobicContact CB-CG 4.06Å; Q79-L82 HydrophobicContact CG-CD1 4.45Å; Q79-L82 WeakPolarHBondContact O-CG 3.43Å; Q79-L82 PolarHBondContact O-N 3.25Å; P80-L82 VanDerWaalsContact C-N 3.31Å; P80-L82 PolarHBondContact O-N 3.47Å; L82-L102 HydrophobicContact CB-CD2 3.84Å; L82-G106 VanDerWaalsContact O-CA 3.27Å; L82-G106 WeakPolarHBondContact O-CA 3.4Å; L82-I107 PolarHBondContact O-N 3.04Å; L82-I107 VanDerWaalsContact O-N 3.08Å; L82-D161 HydrophobicContact CB-CB 4.05Å; L82-D161 HydrophobicContact CD1-CB 4.48Å; L82-D161 HydrophobicContact CD2-CB 3.94Å; L82-D161 HydrophobicContact CG-CB 4.38Å; L82-R162 HydrophobicContact CD1-CG 4.04Å; L82-R162 VanDerWaalsContact CD1-CZ 3.49Å
83	S	98.2	Very high	97.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.8	168.7	58.3	0	0	0	0	112	I107 Y160 D161 R162 K182	S83-I107 CarbonylContact C-O 3.59Å; S83-I107 WeakPolarHBondContact CA-O 3.48Å; S83-Y160 WeakPolarHBondContact OG-CA 3.25Å; S83-D161 WeakPolarHBondContact CB-OD2 3.4Å; S83-D161 PolarHBondContact N-OD2 3.37Å; S83-D161 WeakPolarHBondContact O-CB 3.42Å; S83-D161 PolarHBondContact O-N 3.1Å; S83-D161 VanDerWaalsContact O-N 3.1Å; S83-D161 PolarHBondContact OG-N 3.26Å; S83-D161 PolarHBondContact OG-OD2 3.3Å; S83-R162 PolarHBondContact O-N 3.47Å; S83-K182 PolarHBondContact OG-NZ 2.97Å
84	F	98.6	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.7	-179.1	176.7	-115	0	0	0	111.9	L76 L78 N86 L94 V98 L102 I107 N108 H109 Y160 R162	L76-F84 HydrophobicContact CD1-CD2 4.47Å; L76-F84 HydrophobicContact CD1-CE2 3.71Å; L76-F84 HydrophobicContact CD1-CZ 4.37Å; L78-F84 HydrophobicContact CD2-CD2 4.4Å; F84-N86 HydrophobicContact CE1-CB 3.68Å; F84-N86 HydrophobicContact CZ-CB 3.91Å; F84-L94 HydrophobicContact CZ-CD2 4.5Å; F84-V98 HydrophobicContact CB-CG1 4.09Å; F84-V98 HydrophobicContact CD1-CB 4.09Å; F84-V98 HydrophobicContact CD1-CG1 3.47Å; F84-V98 VanDerWaalsContact CD1-CG1 3.47Å; F84-V98 HydrophobicContact CD1-CG2 4.3Å; F84-V98 HydrophobicContact CD2-CG1 4.41Å; F84-V98 HydrophobicContact CE1-CB 4.05Å; F84-V98 HydrophobicContact CE1-CG1 3.9Å; F84-V98 HydrophobicContact CE1-CG2 3.85Å; F84-V98 HydrophobicContact CG-CG1 3.74Å; F84-V98 HydrophobicContact CZ-CG2 4.06Å; F84-L102 HydrophobicContact CB-CD1 3.77Å; F84-I107 PolarHBondContact N-O 2.9Å; F84-N108 WeakPolarHBondContact CD1-OD1 3.43Å; F84-H109 PolarHBondContact O-N 2.92Å; F84-Y160 VanDerWaalsContact C-CD1 3.42Å; F84-Y160 WeakPolarHBondContact O-CE1 3.33Å; F84-R162 CarbonylContact C-O 3.58Å; F84-R162 VanDerWaalsContact CA-O 3.25Å; F84-R162 WeakPolarHBondContact CA-O 3.21Å; F84-R162 HydrophobicContact CB-CB 4.46Å; F84-R162 HydrophobicContact CD2-CB 3.82Å
85	L	98.4	Very high	97.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126	171.5	-178.4	61.5	0	0	0	110.4	L87 H109 I111 I153 Y160 R162 I163 Y164 L180 L235	L85-L87 HydrophobicContact CD1-CD2 4.23Å; L85-L87 HydrophobicContact CD2-CD2 3.69Å; L85-L87 HydrophobicContact CD2-CG 4.33Å; L85-L87 HydrophobicContact CG-CD2 3.76Å; L85-L87 HydrophobicContact CG-CG 4.23Å; L85-H109 CarbonylContact C-O 3.55Å; L85-H109 WeakPolarHBondContact CA-O 3.37Å; L85-H109 HydrophobicContact CD1-CB 4.01Å; L85-I111 HydrophobicContact CD1-CD1 4.28Å; L85-I111 HydrophobicContact CD1-CG1 4.3Å; L85-I153 HydrophobicContact CD2-CD1 4.29Å; L85-Y160 HydrophobicContact CB-CD1 3.66Å; L85-Y160 HydrophobicContact CB-CD2 3.84Å; L85-Y160 HydrophobicContact CB-CE1 3.73Å; L85-Y160 HydrophobicContact CB-CE2 3.95Å; L85-Y160 HydrophobicContact CB-CG 3.68Å; L85-Y160 HydrophobicContact CD1-CE1 4.46Å; L85-Y160 HydrophobicContact CD1-CE2 4.28Å; L85-Y160 HydrophobicContact CD2-CD2 3.86Å; L85-Y160 HydrophobicContact CD2-CE2 3.73Å; L85-Y160 HydrophobicContact CG-CD2 4.42Å; L85-Y160 HydrophobicContact CG-CE2 4.21Å; L85-R162 PolarHBondContact N-O 3.43Å; L85-I163 HydrophobicContact CB-CG1 4.18Å; L85-I163 HydrophobicContact CB-CG2 4.34Å; L85-I163 HydrophobicContact CD2-CG2 4.49Å; L85-I163 WeakPolarHBondContact O-CA 3.38Å; L85-Y164 PolarHBondContact O-N 2.87Å; L85-L180 HydrophobicContact CD2-CD1 4.25Å; L85-L235 HydrophobicContact CD1-CD1 3.99Å
86	N	98.4	Very high	97.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108.2	175.1	-168.4	1.2	0	0	0	110.2	F84 S89 S95 H109 G110 I111 Y164	F84-N86 HydrophobicContact CE1-CB 3.68Å; F84-N86 HydrophobicContact CZ-CB 3.91Å; N86-S89 WeakPolarHBondContact ND2-CA 2.97Å; N86-S95 PolarHBondContact ND2-OG 2.96Å; N86-H109 PolarHBondContact N-O 3.31Å; N86-G110 WeakPolarHBondContact O-CA 3.25Å; N86-I111 PolarHBondContact O-N 3.47Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.47Å
87	L	97.4	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.1	178.4	-55.2	175.3	0	0	0	109.1	L85 I111 C150 I153 I163 Y164 C165 G166 M177	L85-L87 HydrophobicContact CD1-CD2 4.23Å; L85-L87 HydrophobicContact CD2-CD2 3.69Å; L85-L87 HydrophobicContact CD2-CG 4.33Å; L85-L87 HydrophobicContact CG-CD2 3.76Å; L85-L87 HydrophobicContact CG-CG 4.23Å; L87-I111 HydrophobicContact CD2-CD1 4.07Å; L87-C150 HydrophobicContact CB-CB 4.12Å; L87-C150 HydrophobicContact CD2-CB 3.97Å; L87-C150 HydrophobicContact CG-CB 4.48Å; L87-I153 HydrophobicContact CD2-CD1 3.84Å; L87-I163 HydrophobicContact CD1-CG2 3.99Å; L87-I163 HydrophobicContact CG-CG2 4.26Å; L87-Y164 PolarHBondContact N-O 2.92Å; L87-C165 HydrophobicContact CB-CB 4.21Å; L87-C165 HydrophobicContact CD1-CB 4.33Å; L87-G166 PolarHBondContact O-N 3.5Å; L87-M177 HydrophobicContact CD1-CE 4.06Å; L87-M177 HydrophobicContact CD1-SD 3.46Å; L87-M177 WeakPolarHBondContact CD1-SD 3.32Å
88	G	96.3	Very high	97.8	Very high	24 Å²	24	15.8 Å²	15.8	25%	0.247	10%	0.103	C	C	.	.	S	Bend	trans	78.4	59	-166.4	0	0	0	0	0	110.8	G90 I111	G88-G90 PolarHBondContact O-N 3.44Å; G88-G90 VanDerWaalsContact O-N 3.14Å; G88-I111 VanDerWaalsContact CA-O 3.28Å; G88-I111 WeakPolarHBondContact CA-O 3.42Å; G88-I111 PolarHBondContact N-O 3.47Å
89	S	96.3	Very high	97.8	Very high	6 Å²	6	15.4 Å²	15.4	4%	0.042	10%	0.101	C	C	.	.			trans	-65	-16.9	-173.2	58.1	0	0	0	0	114.4	N86 T91 G92 I111	N86-S89 WeakPolarHBondContact ND2-CA 2.97Å; S89-T91 PolarHBondContact O-N 2.88Å; S89-G92 PolarHBondContact O-N 3.27Å; S89-G92 VanDerWaalsContact O-N 3.09Å; S89-I111 PolarHBondContact N-O 2.87Å
90	G	95.8	Very high	97.8	Very high	8 Å²	8	10.9 Å²	10.9	8%	0.082	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-133.7	177.8	0	0	0	0	0	111.1	G88 G92 E112 V117	G88-G90 PolarHBondContact O-N 3.44Å; G88-G90 VanDerWaalsContact O-N 3.14Å; G90-G92 PolarHBondContact O-N 2.78Å; G90-E112 WeakPolarHBondContact CA-OE2 3.18Å; G90-E112 PolarHBondContact N-OE2 2.69Å; G90-V117 WeakPolarHBondContact O-CG1 3.38Å
91	T	97	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	0.9	-179	60.7	0	0	0	0	115.3	Y41 I61 L63 S89 Y93 Y120 A121	Y41-T91 WeakPolarHBondContact CD1-O 3.46Å; I61-T91 HydrophobicContact CG2-CG2 3.44Å; I61-T91 VanDerWaalsContact CG2-CG2 3.44Å; L63-T91 HydrophobicContact CD1-CG2 3.25Å; L63-T91 VanDerWaalsContact CD1-OG1 3.29Å; L63-T91 WeakPolarHBondContact CD1-OG1 3.35Å; L63-T91 HydrophobicContact CG-CG2 4.36Å; S89-T91 PolarHBondContact O-N 2.88Å; T91-Y93 PolarHBondContact O-N 3.31Å; T91-Y120 HydrophobicContact CG2-CD1 3.74Å; T91-Y120 HydrophobicContact CG2-CE1 3.48Å; T91-Y120 VanDerWaalsContact CG2-CE1 3.48Å; T91-A121 WeakPolarHBondContact O-CA 3.47Å
92	G	97.9	Very high	97.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	77.5	-4.2	-175.8	0	0	0	0	0	114.5	S89 G90 L94 S95 T96	S89-G92 PolarHBondContact O-N 3.27Å; S89-G92 VanDerWaalsContact O-N 3.09Å; G90-G92 PolarHBondContact O-N 2.78Å; G92-L94 PolarHBondContact O-N 3.26Å; G92-S95 CarbonylContact O-C 3.58Å; G92-S95 WeakPolarHBondContact O-CB 3.37Å; G92-S95 PolarHBondContact O-N 3.14Å; G92-T96 PolarHBondContact O-N 3.36Å; G92-T96 PolarHBondContact O-OG1 3.24Å; G92-T96 VanDerWaalsContact O-OG1 3.1Å
93	Y	98.6	Very high	97.9	Very high	3 Å²	3	3.9 Å²	3.9	1%	0.012	3%	0.03	C	C	.	.	H	α-helix	trans	-50.8	-52.6	-177.8	177.3	-112.8	0	0	0	113.3	I36 R38 Y41 L63 Y69 T91 T96 M97	I36-Y93 HydrophobicContact CB-CE2 4.18Å; I36-Y93 HydrophobicContact CG2-CD2 3.77Å; I36-Y93 HydrophobicContact CG2-CE2 3.6Å; R38-Y93 HydrophobicContact CB-CE2 4.09Å; R38-Y93 HydrophobicContact CG-CE2 4.49Å; Y41-Y93 HydrophobicContact CD1-CD2 4.17Å; Y41-Y93 HydrophobicContact CD1-CG 4.37Å; Y41-Y93 AromaticContact CD2-CD2 3.52Å; Y41-Y93 HydrophobicContact CD2-CD2 3.52Å; Y41-Y93 HydrophobicContact CD2-CE2 4.26Å; Y41-Y93 HydrophobicContact CD2-CG 4.44Å; Y41-Y93 VanDerWaalsContact CE1-CA 3.43Å; Y41-Y93 HydrophobicContact CE1-CD2 4.49Å; Y41-Y93 AromaticContact CE2-CD2 3.92Å; Y41-Y93 HydrophobicContact CE2-CD2 3.92Å; Y41-Y93 AromaticContact CG-CD2 3.66Å; Y41-Y93 HydrophobicContact CG-CD2 3.66Å; Y41-Y93 HydrophobicContact CG-CG 4.16Å; L63-Y93 HydrophobicContact CD2-CD1 4.46Å; L63-Y93 HydrophobicContact CD2-CG 4.4Å; Y69-Y93 AromaticContact CD2-CD1 3.79Å; Y69-Y93 HydrophobicContact CD2-CD1 3.79Å; Y69-Y93 AromaticContact CD2-CE1 3.85Å; Y69-Y93 HydrophobicContact CD2-CE1 3.85Å; Y69-Y93 AromaticContact CE2-CD1 3.64Å; Y69-Y93 HydrophobicContact CE2-CD1 3.64Å; Y69-Y93 HydrophobicContact CE2-CE1 4.16Å; T91-Y93 PolarHBondContact O-N 3.31Å; Y93-T96 PolarHBondContact O-N 2.77Å; Y93-M97 HydrophobicContact CD1-CE 3.58Å; Y93-M97 HydrophobicContact CE1-CE 3.2Å; Y93-M97 HydrophobicContact CE1-SD 3.81Å; Y93-M97 HydrophobicContact CE2-CE 4.38Å; Y93-M97 HydrophobicContact CE2-SD 4.17Å; Y93-M97 HydrophobicContact CG-CE 4.31Å; Y93-M97 VanDerWaalsContact CZ-SD 3.59Å; Y93-M97 PolarHBondContact O-N 2.9Å; Y93-M97 VanDerWaalsContact O-N 3.12Å
94	L	98.6	Very high	97.7	Very high	3 Å²	3	4.1 Å²	4.1	2%	0.016	3%	0.031	C	C	.	.	H	α-helix	trans	-63	-45.1	177.2	-177.4	71.4	0	0	0	111.3	Y69 V72 M73 F84 G92 T96 M97 V98 Y164	Y69-L94 HydrophobicContact CD1-CB 4.29Å; Y69-L94 HydrophobicContact CD1-CD1 3.91Å; Y69-L94 HydrophobicContact CD1-CD2 4.17Å; Y69-L94 HydrophobicContact CD1-CG 4.35Å; Y69-L94 HydrophobicContact CE1-CB 4.08Å; Y69-L94 HydrophobicContact CE1-CD2 4.18Å; Y69-L94 HydrophobicContact CE1-CG 4.5Å; Y69-L94 HydrophobicContact CG-CD1 4.24Å; V72-L94 HydrophobicContact CG1-CD2 4.33Å; M73-L94 HydrophobicContact CG-CD1 3.7Å; M73-L94 HydrophobicContact SD-CD1 3.97Å; F84-L94 HydrophobicContact CZ-CD2 4.5Å; G92-L94 PolarHBondContact O-N 3.26Å; L94-T96 VanDerWaalsContact C-N 3.29Å; L94-T96 PolarHBondContact O-N 3.28Å; L94-M97 HydrophobicContact CD1-CE 4.05Å; L94-M97 PolarHBondContact O-N 3.29Å; L94-V98 HydrophobicContact CD1-CG2 4.41Å; L94-V98 HydrophobicContact CG-CG2 4.26Å; L94-V98 WeakPolarHBondContact O-CB 3.25Å; L94-V98 VanDerWaalsContact O-CG2 3.24Å; L94-V98 WeakPolarHBondContact O-CG2 3.47Å; L94-V98 PolarHBondContact O-N 2.81Å; L94-Y164 HydrophobicContact CD2-CD1 3.22Å; L94-Y164 HydrophobicContact CD2-CE1 3.45Å; L94-Y164 VanDerWaalsContact CD2-CE1 3.45Å; L94-Y164 HydrophobicContact CD2-CG 4.06Å
95	S	98.6	Very high	97.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-37.2	179.8	-71.3	0	0	0	0	112.2	N86 G92 G99 N108	N86-S95 PolarHBondContact ND2-OG 2.96Å; G92-S95 CarbonylContact O-C 3.58Å; G92-S95 WeakPolarHBondContact O-CB 3.37Å; G92-S95 PolarHBondContact O-N 3.14Å; S95-G99 PolarHBondContact O-N 3.48Å; S95-N108 PolarHBondContact O-ND2 2.82Å
96	T	98.6	Very high	97.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67.1	-46	174.6	-51.5	0	0	0	0	111.3	I36 Y41 G92 Y93 L94 V98 G99 L100 L125 F128 F140	I36-T96 HydrophobicContact CD1-CG2 3.58Å; I36-T96 HydrophobicContact CG1-CG2 4.33Å; Y41-T96 VanDerWaalsContact OH-CB 3.22Å; Y41-T96 WeakPolarHBondContact OH-CB 3.46Å; Y41-T96 VanDerWaalsContact OH-CG2 3.29Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.36Å; Y41-T96 PolarHBondContact OH-OG1 3.5Å; G92-T96 PolarHBondContact O-N 3.36Å; G92-T96 PolarHBondContact O-OG1 3.24Å; G92-T96 VanDerWaalsContact O-OG1 3.1Å; Y93-T96 PolarHBondContact O-N 2.77Å; L94-T96 VanDerWaalsContact C-N 3.29Å; L94-T96 PolarHBondContact O-N 3.28Å; T96-V98 VanDerWaalsContact C-N 3.34Å; T96-V98 PolarHBondContact O-N 2.86Å; T96-G99 WeakPolarHBondContact O-CA 3.47Å; T96-G99 PolarHBondContact O-N 3.08Å; T96-G99 VanDerWaalsContact O-N 3.08Å; T96-L100 PolarHBondContact O-N 2.97Å; T96-L125 HydrophobicContact CG2-CD1 4.44Å; T96-F128 HydrophobicContact CG2-CD1 3.64Å; T96-F128 HydrophobicContact CG2-CE1 3.9Å; T96-F128 HydrophobicContact CG2-CG 4.05Å; T96-F140 HydrophobicContact CG2-CE2 3.88Å; T96-F140 HydrophobicContact CG2-CZ 3.88Å; T96-F140 WeakPolarHBondContact O-CE2 3.32Å
97	M	98.7	Very high	97.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.7	-44.2	175.6	-72.3	-171.9	-63.5	0	0	112	A32 F33 I36 M73 Y93 L94 G99 L100	A32-M97 HydrophobicContact CB-CB 4.31Å; F33-M97 HydrophobicContact CD1-SD 3.94Å; F33-M97 HydrophobicContact CD2-SD 4.03Å; F33-M97 HydrophobicContact CE1-CE 4.27Å; F33-M97 HydrophobicContact CE1-SD 4.11Å; F33-M97 HydrophobicContact CE2-CE 4.41Å; F33-M97 HydrophobicContact CE2-SD 4.2Å; F33-M97 HydrophobicContact CG-SD 3.91Å; F33-M97 HydrophobicContact CZ-CE 4.12Å; F33-M97 HydrophobicContact CZ-SD 4.23Å; I36-M97 HydrophobicContact CB-CG 3.88Å; I36-M97 HydrophobicContact CG1-CG 3.68Å; I36-M97 HydrophobicContact CG2-CG 4.45Å; M73-M97 HydrophobicContact CE-CB 4Å; M73-M97 HydrophobicContact SD-CB 4.11Å; M73-M97 HydrophobicContact SD-CE 3.87Å; M73-M97 HydrophobicContact SD-SD 4.18Å; Y93-M97 HydrophobicContact CD1-CE 3.58Å; Y93-M97 HydrophobicContact CE1-CE 3.2Å; Y93-M97 HydrophobicContact CE1-SD 3.81Å; Y93-M97 HydrophobicContact CE2-CE 4.38Å; Y93-M97 HydrophobicContact CE2-SD 4.17Å; Y93-M97 HydrophobicContact CG-CE 4.31Å; Y93-M97 VanDerWaalsContact CZ-SD 3.59Å; Y93-M97 PolarHBondContact O-N 2.9Å; Y93-M97 VanDerWaalsContact O-N 3.12Å; L94-M97 HydrophobicContact CD1-CE 4.05Å; L94-M97 PolarHBondContact O-N 3.29Å; M97-G99 PolarHBondContact O-N 2.93Å; M97-L100 WeakPolarHBondContact O-CB 3.38Å; M97-L100 PolarHBondContact O-N 3Å
98	V	98.8	Very high	97.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-38.6	175.1	172.5	0	0	0	0	110.7	L78 F84 L94 T96 L100 I101 L102	L78-V98 HydrophobicContact CD1-CB 4.33Å; L78-V98 HydrophobicContact CD1-CG1 4.07Å; L78-V98 HydrophobicContact CD1-CG2 3.74Å; L78-V98 HydrophobicContact CD2-CG1 3.88Å; F84-V98 HydrophobicContact CB-CG1 4.09Å; F84-V98 HydrophobicContact CD1-CB 4.09Å; F84-V98 HydrophobicContact CD1-CG1 3.47Å; F84-V98 VanDerWaalsContact CD1-CG1 3.47Å; F84-V98 HydrophobicContact CD1-CG2 4.3Å; F84-V98 HydrophobicContact CD2-CG1 4.41Å; F84-V98 HydrophobicContact CE1-CB 4.05Å; F84-V98 HydrophobicContact CE1-CG1 3.9Å; F84-V98 HydrophobicContact CE1-CG2 3.85Å; F84-V98 HydrophobicContact CG-CG1 3.74Å; F84-V98 HydrophobicContact CZ-CG2 4.06Å; L94-V98 HydrophobicContact CD1-CG2 4.41Å; L94-V98 HydrophobicContact CG-CG2 4.26Å; L94-V98 WeakPolarHBondContact O-CB 3.25Å; L94-V98 VanDerWaalsContact O-CG2 3.24Å; L94-V98 WeakPolarHBondContact O-CG2 3.47Å; L94-V98 PolarHBondContact O-N 2.81Å; T96-V98 VanDerWaalsContact C-N 3.34Å; T96-V98 PolarHBondContact O-N 2.86Å; V98-L100 PolarHBondContact O-N 3.25Å; V98-I101 PolarHBondContact O-N 3.17Å; V98-L102 HydrophobicContact CG1-CD1 3.65Å; V98-L102 HydrophobicContact CG1-CD2 4.49Å; V98-L102 HydrophobicContact CG1-CG 3.79Å; V98-L102 WeakPolarHBondContact O-CG 3.49Å; V98-L102 PolarHBondContact O-N 3.3Å
99	G	98.4	Very high	97.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.3	-35.7	176.6	0	0	0	0	0	113.9	S95 T96 M97 I101 G103 C141	S95-G99 PolarHBondContact O-N 3.48Å; T96-G99 WeakPolarHBondContact O-CA 3.47Å; T96-G99 PolarHBondContact O-N 3.08Å; T96-G99 VanDerWaalsContact O-N 3.08Å; M97-G99 PolarHBondContact O-N 2.93Å; G99-I101 VanDerWaalsContact C-N 3.32Å; G99-I101 PolarHBondContact O-N 3.36Å; G99-G103 PolarHBondContact O-N 2.87Å; G99-C141 WeakPolarHBondContact CA-O 3.37Å; G99-C141 PolarHBondContact O-N 3.37Å
100	L	98.3	Very high	97.5	Very high	12 Å²	12	11.5 Å²	11.5	6%	0.063	6%	0.061	C	C	.	.	H	α-helix	trans	-68.5	-29.2	176.2	-57	177.8	0	0	0	113.1	A32 A35 I36 T96 M97 V98 F128 F138 F140	A32-L100 HydrophobicContact CB-CD1 4.47Å; A35-L100 HydrophobicContact CB-CD1 3.48Å; A35-L100 VanDerWaalsContact CB-CD1 3.48Å; I36-L100 HydrophobicContact CD1-CD1 3.75Å; I36-L100 HydrophobicContact CD1-CG 4.4Å; I36-L100 HydrophobicContact CG1-CD1 3.73Å; T96-L100 PolarHBondContact O-N 2.97Å; M97-L100 WeakPolarHBondContact O-CB 3.38Å; M97-L100 PolarHBondContact O-N 3Å; V98-L100 PolarHBondContact O-N 3.25Å; L100-F128 HydrophobicContact CD2-CE1 4.24Å; L100-F128 HydrophobicContact CD2-CZ 3.85Å; L100-F138 HydrophobicContact CB-CB 4.42Å; L100-F138 HydrophobicContact CB-CD1 4.17Å; L100-F138 HydrophobicContact CB-CG 4.35Å; L100-F138 HydrophobicContact CD1-CD2 4.46Å; L100-F138 HydrophobicContact CD1-CG 4.38Å; L100-F138 HydrophobicContact CD2-CB 3.52Å; L100-F138 HydrophobicContact CD2-CD2 4.4Å; L100-F138 HydrophobicContact CD2-CG 3.94Å; L100-F138 HydrophobicContact CG-CB 4.44Å; L100-F138 HydrophobicContact CG-CG 4.46Å; L100-F140 HydrophobicContact CD2-CD2 3.58Å; L100-F140 HydrophobicContact CD2-CE2 4.12Å; L100-F140 HydrophobicContact CD2-CG 4.48Å; L100-F140 HydrophobicContact CG-CD2 4.29Å
101	I	98.4	Very high	97.6	Very high	17 Å²	17	11.1 Å²	11.1	9%	0.087	6%	0.057	C	C	.	.	H	α-helix	trans	-84.9	-39.3	-180	-58.2	177.6	0	0	0	111	V29 A32 M73 L78 V98 G99 G103	V29-I101 HydrophobicContact CG2-CD1 4.39Å; A32-I101 HydrophobicContact CB-CD1 4.08Å; A32-I101 HydrophobicContact CB-CG1 4.06Å; M73-I101 HydrophobicContact CE-CD1 3.38Å; M73-I101 HydrophobicContact CE-CG1 4.5Å; L78-I101 HydrophobicContact CB-CB 4.33Å; L78-I101 HydrophobicContact CB-CG2 3.64Å; L78-I101 HydrophobicContact CD1-CD1 4.12Å; V98-I101 PolarHBondContact O-N 3.17Å; G99-I101 VanDerWaalsContact C-N 3.32Å; G99-I101 PolarHBondContact O-N 3.36Å; I101-G103 VanDerWaalsContact C-N 3.33Å; I101-G103 PolarHBondContact O-N 2.83Å
102	L	98.1	Very high	97.6	Very high	1 Å²	1	12 Å²	12	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-69.4	-31	-179.3	-66.9	-176.6	0	0	0	113	L78 Q79 P80 G81 L82 F84 V98 I107 N108 C141	L78-L102 HydrophobicContact CD2-CD2 4.21Å; Q79-L102 WeakPolarHBondContact O-CD2 3.33Å; P80-L102 CarbonylContact C-O 3.47Å; P80-L102 VanDerWaalsContact CA-O 3.24Å; P80-L102 WeakPolarHBondContact CA-O 3.41Å; G81-L102 PolarHBondContact N-O 2.87Å; L82-L102 HydrophobicContact CB-CD2 3.84Å; F84-L102 HydrophobicContact CB-CD1 3.77Å; V98-L102 HydrophobicContact CG1-CD1 3.65Å; V98-L102 HydrophobicContact CG1-CD2 4.49Å; V98-L102 HydrophobicContact CG1-CG 3.79Å; V98-L102 WeakPolarHBondContact O-CG 3.49Å; V98-L102 PolarHBondContact O-N 3.3Å; L102-I107 WeakPolarHBondContact CD1-O 3.31Å; L102-N108 HydrophobicContact CD1-CB 4.12Å; L102-C141 HydrophobicContact CB-CB 3.78Å; L102-C141 HydrophobicContact CD1-CB 4.47Å
103	G	95.8	Very high	97.5	Very high	5 Å²	5	15 Å²	15	5%	0.052	8%	0.077	C	C	.	.			trans	64.7	-179.8	-177.8	0	0	0	0	0	113.9	G99 I101 F105 G106 C141	G99-G103 PolarHBondContact O-N 2.87Å; I101-G103 VanDerWaalsContact C-N 3.33Å; I101-G103 PolarHBondContact O-N 2.83Å; G103-F105 PolarHBondContact O-N 2.87Å; G103-G106 PolarHBondContact O-N 3.21Å; G103-G106 VanDerWaalsContact O-N 3.08Å; G103-C141 WeakPolarHBondContact O-CB 3.24Å
104	P	94.1	Very high	97.4	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.039	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.6	-165.3	24	-37.2	0	0	0	115.2	R241 I249	P104-R241 PolarHBondContact O-NE 2.95Å; P104-R241 PolarHBondContact O-NH2 3.2Å; P104-R241 VanDerWaalsContact O-NH2 3.09Å; P104-I249 HydrophobicContact CB-CD1 3.65Å; P104-I249 HydrophobicContact CB-CG1 4.15Å; P104-I249 HydrophobicContact CB-CG2 4.09Å; P104-I249 HydrophobicContact CG-CD1 4.5Å; P104-I249 HydrophobicContact CG-CG2 3.74Å
105	F	94.4	Very high	97.3	Very high	115 Å²	115	20.9 Å²	20.9	50%	0.504	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-0.6	-176.7	-55.7	-65.9	0	0	0	113.8	G103 L246	G103-F105 PolarHBondContact O-N 2.87Å; F105-L246 HydrophobicContact CE1-CD2 3.69Å; F105-L246 HydrophobicContact CZ-CD2 4.38Å
106	G	95.9	Very high	97.3	Very high	11 Å²	11	24.2 Å²	24.2	11%	0.113	13%	0.129	C	C	.	.	S	Bend	trans	-78.3	175.5	172	0	0	0	0	0	112.8	L82 G103 C141	L82-G106 VanDerWaalsContact O-CA 3.27Å; L82-G106 WeakPolarHBondContact O-CA 3.4Å; G103-G106 PolarHBondContact O-N 3.21Å; G103-G106 VanDerWaalsContact O-N 3.08Å; G106-C141 PolarHBondContact O-SG 3.31Å
107	I	97.1	Very high	97.2	Very high	45 Å²	45	24.2 Å²	24.2	23%	0.231	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.4	171	-64.3	154.7	0	0	0	107.5	L82 S83 F84 L102 Y160 C238	L82-I107 PolarHBondContact O-N 3.04Å; L82-I107 VanDerWaalsContact O-N 3.08Å; S83-I107 CarbonylContact C-O 3.59Å; S83-I107 WeakPolarHBondContact CA-O 3.48Å; F84-I107 PolarHBondContact N-O 2.9Å; L102-I107 WeakPolarHBondContact CD1-O 3.31Å; I107-Y160 HydrophobicContact CG2-CE1 4.35Å; I107-C238 HydrophobicContact CD1-CB 4.13Å; I107-C238 WeakPolarHBondContact CD1-SG 3.26Å
108	N	97.9	Very high	97.2	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	97.1	-174.7	-174.4	-0	0	0	0	109.6	F84 S95 L102 C141 P143 A144	F84-N108 WeakPolarHBondContact CD1-OD1 3.43Å; S95-N108 PolarHBondContact O-ND2 2.82Å; L102-N108 HydrophobicContact CD1-CB 4.12Å; N108-C141 HydrophobicContact CB-CB 4.37Å; N108-C141 VanDerWaalsContact CB-SG 3.54Å; N108-C141 PolarHBondContact ND2-O 2.89Å; N108-P143 HydrophobicContact CB-CB 4.43Å; N108-P143 CarbonylContact O-C 3.54Å; N108-P143 VanDerWaalsContact O-CA 3.31Å; N108-P143 WeakPolarHBondContact O-CA 3.39Å; N108-A144 PolarHBondContact O-N 3.01Å
109	H	98.1	Very high	97.2	Very high	12 Å²	12	30 Å²	30	6%	0.056	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.7	-179.4	-64.7	168.9	0	0	0	110.4	F84 L85 N86 A144 H158 Y160 L235 P236	F84-H109 PolarHBondContact O-N 2.92Å; L85-H109 CarbonylContact C-O 3.55Å; L85-H109 WeakPolarHBondContact CA-O 3.37Å; L85-H109 HydrophobicContact CD1-CB 4.01Å; N86-H109 PolarHBondContact N-O 3.31Å; H109-A144 WeakPolarHBondContact CA-O 3.48Å; H109-H158 AromaticContact CE1-NE2 3.4Å; H109-H158 PolarHBondContact CE1-NE2 2.82Å; H109-H158 AromaticContact ND1-NE2 3.57Å; H109-Y160 HydrophobicContact CB-CE1 4.33Å; H109-Y160 AromaticContact ND1-CZ 3.85Å; H109-Y160 PolarHBondContact ND1-OH 3.32Å; H109-L235 HydrophobicContact CB-CD2 4.24Å; H109-P236 PolarHBondContact CE1-O 3.45Å
110	G	97.8	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.2	173.5	0	0	0	0	0	111	N86 A144 F145 V146	N86-G110 WeakPolarHBondContact O-CA 3.25Å; G110-A144 PolarHBondContact N-O 3.36Å; G110-F145 WeakPolarHBondContact O-CA 3.07Å; G110-V146 PolarHBondContact O-N 3.22Å
111	I	97.6	Very high	97.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.7	171.4	-57.4	176.7	0	0	0	107.7	L85 N86 L87 G88 S89 V146 G148 I153 V233 L235	L85-I111 HydrophobicContact CD1-CD1 4.28Å; L85-I111 HydrophobicContact CD1-CG1 4.3Å; N86-I111 PolarHBondContact O-N 3.47Å; L87-I111 HydrophobicContact CD2-CD1 4.07Å; G88-I111 VanDerWaalsContact CA-O 3.28Å; G88-I111 WeakPolarHBondContact CA-O 3.42Å; G88-I111 PolarHBondContact N-O 3.47Å; S89-I111 PolarHBondContact N-O 2.87Å; I111-V146 WeakPolarHBondContact CA-O 3.43Å; I111-G148 VanDerWaalsContact CG2-O 3.26Å; I111-G148 WeakPolarHBondContact CG2-O 3.4Å; I111-I153 HydrophobicContact CD1-CD1 3.51Å; I111-I153 HydrophobicContact CD1-CG1 3.53Å; I111-V233 HydrophobicContact CD1-CG1 4.26Å; I111-V233 HydrophobicContact CG2-CG1 4.39Å; I111-L235 HydrophobicContact CD1-CD1 4.29Å; I111-L235 HydrophobicContact CD1-CD2 3.88Å; I111-L235 HydrophobicContact CD1-CG 4.39Å; I111-L235 HydrophobicContact CG1-CD2 3.73Å
112	E	97.5	Very high	97.2	Very high	19 Å²	19	34.2 Å²	34.2	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.3	175.2	171.2	55.9	-117.4	0	0	109.6	G90 H114 V117 V118 V146 V147 G148	G90-E112 WeakPolarHBondContact CA-OE2 3.18Å; G90-E112 PolarHBondContact N-OE2 2.69Å; E112-H114 IonicContact OE1-CD2 3.77Å; E112-H114 PolarHBondContact OE1-N 3.3Å; E112-V117 HydrophobicContact CG-CB 3.76Å; E112-V117 HydrophobicContact CG-CG1 3.74Å; E112-V118 HydrophobicContact CB-CG2 3.61Å; E112-V118 HydrophobicContact CG-CG2 3.97Å; E112-V146 PolarHBondContact N-O 3.47Å; E112-V147 CarbonylContact O-C 3.45Å; E112-V147 VanDerWaalsContact O-CA 3.29Å; E112-V147 WeakPolarHBondContact O-CA 3.35Å; E112-G148 CarbonylContact C-O 3.6Å; E112-G148 PolarHBondContact O-N 3.08Å
113	L	96	Very high	97.2	Very high	63 Å²	63	39.6 Å²	39.6	33%	0.33	20%	0.198	S	C	.	.	S	Bend	trans	-71.8	-36.9	-173.9	-178.7	65.1	0	0	0	111.5	G148 N149 V220	L113-G148 WeakPolarHBondContact CA-O 3.47Å; L113-N149 HydrophobicContact CD1-CB 4.28Å; L113-V220 HydrophobicContact CD2-CB 3.75Å; L113-V220 HydrophobicContact CD2-CG1 4.04Å; L113-V220 HydrophobicContact CD2-CG2 3.7Å
114	H	96.6	Very high	97.3	Very high	64 Å²	64	41.4 Å²	41.4	30%	0.296	21%	0.205	S	C	.	.			trans	-97.2	121.8	-170.4	-66.6	-70	0	0	0	111.4	N60 E112 D116 V117 V118	N60-H114 HydrophobicContact CB-CB 4.15Å; E112-H114 IonicContact OE1-CD2 3.77Å; E112-H114 PolarHBondContact OE1-N 3.3Å; H114-D116 WeakPolarHBondContact CB-OD1 3.48Å; H114-D116 PolarHBondContact O-N 2.86Å; H114-V117 HydrophobicContact CB-CB 4.02Å; H114-V117 HydrophobicContact CB-CG2 3.61Å; H114-V117 PolarHBondContact O-N 2.99Å; H114-V117 VanDerWaalsContact O-N 3.12Å; H114-V118 PolarHBondContact O-N 2.94Å; H114-V118 VanDerWaalsContact O-N 3.11Å
115	S	96.9	Very high	97.5	Very high	65 Å²	65	41.5 Å²	41.5	46%	0.455	21%	0.205	S	C	.	.	H	α-helix	trans	-63.4	-39.1	-177.2	58	0	0	0	0	113	V117 V118 E119	S115-V117 PolarHBondContact O-N 2.84Å; S115-V118 PolarHBondContact O-N 2.9Å; S115-E119 WeakPolarHBondContact O-CG 3.41Å; S115-E119 PolarHBondContact O-N 3.07Å
116	D	97.6	Very high	97.6	Very high	71 Å²	71	42.3 Å²	42.3	38%	0.38	21%	0.21	S	C	.	.	H	α-helix	trans	-60.1	-34.5	174.5	56.6	-48.9	0	0	0	112	N60 H114 Y120	N60-D116 PolarHBondContact ND2-OD1 3.1Å; N60-D116 PolarHBondContact ND2-OD2 3.01Å; H114-D116 WeakPolarHBondContact CB-OD1 3.48Å; H114-D116 PolarHBondContact O-N 2.86Å; D116-Y120 WeakPolarHBondContact O-CB 3.27Å; D116-Y120 PolarHBondContact O-N 3.15Å
117	V	97.9	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-75.4	-36	177.6	-176.2	0	0	0	0	111.3	N60 I61 G90 E112 H114 S115 Y120 A121	N60-V117 HydrophobicContact CB-CG2 3.48Å; N60-V117 VanDerWaalsContact CB-CG2 3.48Å; I61-V117 HydrophobicContact CG1-CG2 4.29Å; G90-V117 WeakPolarHBondContact O-CG1 3.38Å; E112-V117 HydrophobicContact CG-CB 3.76Å; E112-V117 HydrophobicContact CG-CG1 3.74Å; H114-V117 HydrophobicContact CB-CB 4.02Å; H114-V117 HydrophobicContact CB-CG2 3.61Å; H114-V117 PolarHBondContact O-N 2.99Å; H114-V117 VanDerWaalsContact O-N 3.12Å; S115-V117 PolarHBondContact O-N 2.84Å; V117-Y120 PolarHBondContact O-N 3.28Å; V117-A121 WeakPolarHBondContact O-CB 3.42Å; V117-A121 PolarHBondContact O-N 3.16Å
118	V	98.3	Very high	97.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-65	-42.8	173.1	170.6	0	0	0	0	111.6	E112 H114 S115 A121 K122 F145 V147	E112-V118 HydrophobicContact CB-CG2 3.61Å; E112-V118 HydrophobicContact CG-CG2 3.97Å; H114-V118 PolarHBondContact O-N 2.94Å; H114-V118 VanDerWaalsContact O-N 3.11Å; S115-V118 PolarHBondContact O-N 2.9Å; V118-A121 PolarHBondContact O-N 3.23Å; V118-K122 HydrophobicContact CG1-CD 4.22Å; V118-K122 WeakPolarHBondContact O-CG 3.45Å; V118-K122 PolarHBondContact O-N 2.87Å; V118-F145 HydrophobicContact CG1-CB 3.95Å; V118-V147 HydrophobicContact CB-CG2 3.83Å; V118-V147 HydrophobicContact CG1-CG2 4Å; V118-V147 HydrophobicContact CG2-CG2 3.71Å
119	E	98.3	Very high	97.4	Very high	119 Å²	119	43.9 Å²	43.9	56%	0.556	22%	0.22	S	C	*	.	H	α-helix	trans	-59.1	-49.3	174.5	-74.4	172.1	-169.8	0	0	110.4	S115 A121 K122 E123	S115-E119 WeakPolarHBondContact O-CG 3.41Å; S115-E119 PolarHBondContact O-N 3.07Å; E119-A121 VanDerWaalsContact C-N 3.33Å; E119-A121 PolarHBondContact O-N 2.93Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.36Å; E119-K122 VanDerWaalsContact O-N 3.14Å; E119-E123 WeakPolarHBondContact O-CG 3.21Å; E119-E123 PolarHBondContact O-N 2.83Å
120	Y	98.3	Very high	97.1	Very high	19 Å²	19	48.2 Å²	48.2	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-57.3	-43.2	175.2	-174.8	-97.6	0	0	0	112.8	Y41 Y42 L43 I61 T91 D116 V117 K122 E123 K124	Y41-Y120 PolarHBondContact O-OH 3.12Å; Y42-Y120 PolarHBondContact O-OH 3.24Å; Y42-Y120 VanDerWaalsContact O-OH 3.11Å; L43-Y120 HydrophobicContact CD2-CE2 3.76Å; L43-Y120 PolarHBondContact N-OH 2.76Å; I61-Y120 HydrophobicContact CD1-CD1 4.03Å; I61-Y120 HydrophobicContact CD1-CD2 3.87Å; I61-Y120 HydrophobicContact CD1-CE1 4.2Å; I61-Y120 HydrophobicContact CD1-CE2 4.04Å; I61-Y120 HydrophobicContact CD1-CG 3.83Å; I61-Y120 HydrophobicContact CG1-CD1 4.49Å; I61-Y120 HydrophobicContact CG2-CE1 4.39Å; T91-Y120 HydrophobicContact CG2-CD1 3.74Å; T91-Y120 HydrophobicContact CG2-CE1 3.48Å; T91-Y120 VanDerWaalsContact CG2-CE1 3.48Å; D116-Y120 WeakPolarHBondContact O-CB 3.27Å; D116-Y120 PolarHBondContact O-N 3.15Å; V117-Y120 PolarHBondContact O-N 3.28Å; Y120-K122 VanDerWaalsContact C-N 3.33Å; Y120-K122 PolarHBondContact O-N 3.25Å; Y120-E123 PolarHBondContact O-N 3.34Å; Y120-K124 HydrophobicContact CD1-CG 4.16Å; Y120-K124 HydrophobicContact CE1-CD 4.48Å; Y120-K124 HydrophobicContact CE1-CG 3.83Å; Y120-K124 VanDerWaalsContact CE2-CE 3.48Å; Y120-K124 WeakPolarHBondContact O-CG 3.24Å; Y120-K124 PolarHBondContact O-N 3.38Å; Y120-K124 WeakPolarHBondContact OH-CE 3.46Å
121	A	98.4	Very high	96.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-39.8	177.7	0	0	0	0	0	112.6	T91 V117 V118 E119 K124 L125 F145	T91-A121 WeakPolarHBondContact O-CA 3.47Å; V117-A121 WeakPolarHBondContact O-CB 3.42Å; V117-A121 PolarHBondContact O-N 3.16Å; V118-A121 PolarHBondContact O-N 3.23Å; E119-A121 VanDerWaalsContact C-N 3.33Å; E119-A121 PolarHBondContact O-N 2.93Å; A121-K124 PolarHBondContact O-N 3.18Å; A121-L125 WeakPolarHBondContact O-CB 3.41Å; A121-L125 PolarHBondContact O-N 2.91Å; A121-F145 HydrophobicContact CB-CD2 4.01Å; A121-F145 HydrophobicContact CB-CE2 3.96Å; A121-F145 HydrophobicContact CB-CG 4.3Å; A121-F145 HydrophobicContact CB-CZ 4.23Å
122	K	98.4	Very high	96.5	Very high	97 Å²	97	56.7 Å²	56.7	42%	0.422	28%	0.275	S	S	.	.	H	α-helix	trans	-65.8	-44.2	175.5	-71.6	172.3	179.8	175.6	0	111.4	V118 E119 Y120 K124 L125 E126 F145	V118-K122 HydrophobicContact CG1-CD 4.22Å; V118-K122 WeakPolarHBondContact O-CG 3.45Å; V118-K122 PolarHBondContact O-N 2.87Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.36Å; E119-K122 VanDerWaalsContact O-N 3.14Å; Y120-K122 VanDerWaalsContact C-N 3.33Å; Y120-K122 PolarHBondContact O-N 3.25Å; K122-K124 VanDerWaalsContact C-N 3.34Å; K122-K124 PolarHBondContact O-N 3Å; K122-L125 WeakPolarHBondContact O-CB 3.46Å; K122-L125 PolarHBondContact O-N 3.22Å; K122-E126 WeakPolarHBondContact O-CG 3.48Å; K122-E126 PolarHBondContact O-N 2.93Å; K122-F145 HydrophobicContact CG-CD2 4.16Å
123	E	98.1	Very high	96.1	Very high	115 Å²	115	58.3 Å²	58.3	54%	0.537	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-42.4	176.3	-71.1	179.2	173.5	0	0	112.3	E119 Y120 E126 S127	E119-E123 WeakPolarHBondContact O-CG 3.21Å; E119-E123 PolarHBondContact O-N 2.83Å; Y120-E123 PolarHBondContact O-N 3.34Å; E123-E126 PolarHBondContact O-N 2.7Å; E123-S127 WeakPolarHBondContact O-CB 3.31Å; E123-S127 PolarHBondContact O-N 3.35Å; E123-S127 PolarHBondContact O-OG 2.88Å
124	K	97.9	Very high	95.9	Very high	42 Å²	42	56.2 Å²	56.2	18%	0.183	28%	0.275	C	S	.	.	H	α-helix	trans	-67.3	-38.8	176.4	-66.2	-51.2	-172.3	168.2	0	112.3	D40 Y41 Y42 Y120 A121 K122 S127 F128	D40-K124 VanDerWaalsContact O-CD 3.25Å; D40-K124 WeakPolarHBondContact O-CD 3.46Å; D40-K124 WeakPolarHBondContact O-CE 3.4Å; D40-K124 PolarHBondContact O-NZ 3.39Å; Y41-K124 HydrophobicContact CD1-CB 3.85Å; Y41-K124 HydrophobicContact CD1-CG 4.14Å; Y41-K124 HydrophobicContact CE1-CB 3.67Å; Y41-K124 HydrophobicContact CE1-CG 4.46Å; Y42-K124 PolarHBondContact O-NZ 3.32Å; Y42-K124 VanDerWaalsContact O-NZ 3.14Å; Y120-K124 HydrophobicContact CD1-CG 4.16Å; Y120-K124 HydrophobicContact CE1-CD 4.48Å; Y120-K124 HydrophobicContact CE1-CG 3.83Å; Y120-K124 VanDerWaalsContact CE2-CE 3.48Å; Y120-K124 WeakPolarHBondContact O-CG 3.24Å; Y120-K124 PolarHBondContact O-N 3.38Å; Y120-K124 WeakPolarHBondContact OH-CE 3.46Å; A121-K124 PolarHBondContact O-N 3.18Å; K122-K124 VanDerWaalsContact C-N 3.34Å; K122-K124 PolarHBondContact O-N 3Å; K124-S127 PolarHBondContact O-N 3.4Å; K124-F128 PolarHBondContact O-N 3.45Å
125	L	97.9	Very high	95.6	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-47.6	174	176.2	63.9	0	0	0	111.8	T96 A121 K122 S127 F128 I129 F140 E142 P143 F145	T96-L125 HydrophobicContact CG2-CD1 4.44Å; A121-L125 WeakPolarHBondContact O-CB 3.41Å; A121-L125 PolarHBondContact O-N 2.91Å; K122-L125 WeakPolarHBondContact O-CB 3.46Å; K122-L125 PolarHBondContact O-N 3.22Å; L125-S127 VanDerWaalsContact C-N 3.31Å; L125-S127 PolarHBondContact O-N 2.73Å; L125-F128 WeakPolarHBondContact O-CB 3.24Å; L125-F128 PolarHBondContact O-N 2.78Å; L125-I129 HydrophobicContact CD1-CD1 4.09Å; L125-I129 HydrophobicContact CD1-CG1 4.4Å; L125-I129 HydrophobicContact CG-CD1 4.03Å; L125-I129 WeakPolarHBondContact O-CG1 3.29Å; L125-I129 PolarHBondContact O-N 3.22Å; L125-F140 HydrophobicContact CD1-CE1 3.82Å; L125-F140 HydrophobicContact CD1-CZ 3.62Å; L125-E142 HydrophobicContact CD2-CG 3.9Å; L125-P143 HydrophobicContact CD1-CG 3.89Å; L125-P143 HydrophobicContact CD2-CG 3.86Å; L125-P143 HydrophobicContact CG-CG 4.45Å; L125-F145 HydrophobicContact CB-CE2 4.47Å; L125-F145 HydrophobicContact CD2-CE2 4.14Å
126	E	96.8	Very high	95.4	Very high	133 Å²	133	50.6 Å²	50.6	62%	0.621	24%	0.242	S	C	*	.	H	α-helix	trans	-60.4	-42.5	176.6	-74.9	-178.1	-174.6	0	0	111.4	K122 E123 F128 I129 K130	K122-E126 WeakPolarHBondContact O-CG 3.48Å; K122-E126 PolarHBondContact O-N 2.93Å; E123-E126 PolarHBondContact O-N 2.7Å; E126-F128 VanDerWaalsContact C-N 3.33Å; E126-F128 PolarHBondContact O-N 2.93Å; E126-I129 PolarHBondContact O-N 3.38Å; E126-K130 VanDerWaalsContact O-CB 3.23Å; E126-K130 WeakPolarHBondContact O-CB 3.44Å; E126-K130 PolarHBondContact O-N 3.1Å
127	S	95.8	Very high	95.1	Very high	52 Å²	52	53.5 Å²	53.5	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-42.9	175.6	-61.6	0	0	0	0	111.7	E123 K124 L125 K130 Y131	E123-S127 WeakPolarHBondContact O-CB 3.31Å; E123-S127 PolarHBondContact O-N 3.35Å; E123-S127 PolarHBondContact O-OG 2.88Å; K124-S127 PolarHBondContact O-N 3.4Å; L125-S127 VanDerWaalsContact C-N 3.31Å; L125-S127 PolarHBondContact O-N 2.73Å; S127-K130 PolarHBondContact O-N 3.25Å; S127-Y131 WeakPolarHBondContact O-CB 3.37Å; S127-Y131 WeakPolarHBondContact O-CD2 3.44Å; S127-Y131 PolarHBondContact O-N 2.98Å
128	F	96.1	Very high	94.9	Very high	12 Å²	12	55.6 Å²	55.6	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-50.5	174.7	169.8	-108.6	0	0	0	111.5	I36 T96 L100 K124 L125 E126 K130 S132 F135 F140	I36-F128 HydrophobicContact CD1-CD1 4.42Å; I36-F128 HydrophobicContact CD1-CD2 3.58Å; I36-F128 HydrophobicContact CD1-CE1 4.08Å; I36-F128 HydrophobicContact CD1-CE2 3.19Å; I36-F128 HydrophobicContact CD1-CG 4.19Å; I36-F128 HydrophobicContact CD1-CZ 3.47Å; I36-F128 VanDerWaalsContact CD1-CZ 3.47Å; T96-F128 HydrophobicContact CG2-CD1 3.64Å; T96-F128 HydrophobicContact CG2-CE1 3.9Å; T96-F128 HydrophobicContact CG2-CG 4.05Å; L100-F128 HydrophobicContact CD2-CE1 4.24Å; L100-F128 HydrophobicContact CD2-CZ 3.85Å; K124-F128 PolarHBondContact O-N 3.45Å; L125-F128 WeakPolarHBondContact O-CB 3.24Å; L125-F128 PolarHBondContact O-N 2.78Å; E126-F128 VanDerWaalsContact C-N 3.33Å; E126-F128 PolarHBondContact O-N 2.93Å; F128-K130 VanDerWaalsContact C-N 3.3Å; F128-K130 PolarHBondContact O-N 3.09Å; F128-S132 VanDerWaalsContact CD2-CB 3.41Å; F128-S132 WeakPolarHBondContact O-CB 3.38Å; F128-S132 PolarHBondContact O-N 3.43Å; F128-F135 HydrophobicContact CD1-CD2 4.46Å; F128-F135 HydrophobicContact CE1-CB 4.32Å; F128-F135 AromaticContact CE1-CD2 3.89Å; F128-F135 HydrophobicContact CE1-CD2 3.89Å; F128-F135 HydrophobicContact CZ-CB 4.1Å; F128-F135 HydrophobicContact CZ-CD2 4.42Å; F128-F140 HydrophobicContact CD1-CE1 4.49Å; F128-F140 HydrophobicContact CD1-CZ 4.17Å; F128-F140 HydrophobicContact CE1-CD2 4.24Å; F128-F140 HydrophobicContact CE1-CE1 4.31Å; F128-F140 AromaticContact CE1-CE2 3.93Å; F128-F140 HydrophobicContact CE1-CE2 3.93Å; F128-F140 AromaticContact CE1-CZ 3.97Å; F128-F140 HydrophobicContact CE1-CZ 3.97Å
129	I	94.7	Very high	94.6	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.138	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-40.8	-179.9	-66.7	168.2	0	0	0	110.8	L125 E126 F135 F140 E142 R356	L125-I129 HydrophobicContact CD1-CD1 4.09Å; L125-I129 HydrophobicContact CD1-CG1 4.4Å; L125-I129 HydrophobicContact CG-CD1 4.03Å; L125-I129 WeakPolarHBondContact O-CG1 3.29Å; L125-I129 PolarHBondContact O-N 3.22Å; E126-I129 PolarHBondContact O-N 3.38Å; I129-F135 HydrophobicContact CB-CD2 4.46Å; I129-F135 HydrophobicContact CB-CE2 4.39Å; I129-F135 HydrophobicContact CG1-CD2 4.13Å; I129-F135 HydrophobicContact CG1-CE2 3.92Å; I129-F135 HydrophobicContact CG2-CE1 4.24Å; I129-F135 HydrophobicContact CG2-CE2 4.13Å; I129-F135 HydrophobicContact CG2-CZ 3.97Å; I129-F140 HydrophobicContact CD1-CE1 4.31Å; I129-F140 HydrophobicContact CG1-CE1 4.26Å; I129-E142 HydrophobicContact CD1-CG 4.26Å; I129-R356 WeakPolarHBondContact O-CD 3.41Å; I129-R356 PolarHBondContact O-NE 2.99Å
130	K	92.2	Very high	94.5	Very high	104 Å²	104	53.2 Å²	53.2	45%	0.452	25%	0.249	S	C	.	.	H	α-helix	trans	-80.7	-40.8	-172.7	-169	173.1	174.4	-166.3	0	113.4	E126 S127 F128 R356	E126-K130 VanDerWaalsContact O-CB 3.23Å; E126-K130 WeakPolarHBondContact O-CB 3.44Å; E126-K130 PolarHBondContact O-N 3.1Å; S127-K130 PolarHBondContact O-N 3.25Å; F128-K130 VanDerWaalsContact C-N 3.3Å; F128-K130 PolarHBondContact O-N 3.09Å; K130-R356 PolarHBondContact O-NE 3.39Å; K130-R356 PolarHBondContact O-NH2 3.44Å
131	Y	90.9	Very high	94.4	Very high	153 Å²	153	52.5 Å²	52.5	60%	0.6	25%	0.246	S	C	*	.	H	α-helix	trans	-113.3	-23.2	-167.5	-53.5	-61.3	0	0	0	113.9	S127	S127-Y131 WeakPolarHBondContact O-CB 3.37Å; S127-Y131 WeakPolarHBondContact O-CD2 3.44Å; S127-Y131 PolarHBondContact O-N 2.98Å
132	S	91.8	Very high	94.3	Very high	25 Å²	25	57.8 Å²	57.8	18%	0.175	27%	0.271	C	S	.	.			trans	-78.1	128.4	-177.4	-170.9	0	0	0	0	112.2	F128 S134 F135 R356	F128-S132 VanDerWaalsContact CD2-CB 3.41Å; F128-S132 WeakPolarHBondContact O-CB 3.38Å; F128-S132 PolarHBondContact O-N 3.43Å; S132-S134 PolarHBondContact O-N 3.11Å; S132-S134 WeakPolarHBondContact OG-CB 3.19Å; S132-S134 PolarHBondContact OG-N 3.2Å; S132-F135 WeakPolarHBondContact O-CB 3.26Å; S132-F135 PolarHBondContact O-N 3.49Å; S132-R356 PolarHBondContact O-NH1 3.16Å; S132-R356 PolarHBondContact O-NH2 3.34Å
133	D	88.7	Confident	94.3	Very high	53 Å²	53	53.4 Å²	53.4	28%	0.283	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.2	170.4	-77.9	-34.9	0	0	0	112.6	F135 D136 N333	D133-F135 PolarHBondContact O-N 2.87Å; D133-D136 PolarHBondContact O-N 3.4Å; D133-D136 VanDerWaalsContact O-N 3.11Å; D133-N333 PolarHBondContact OD1-ND2 2.98Å
134	S	91.1	Very high	94.2	Very high	19 Å²	19	49.5 Å²	49.5	13%	0.133	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-32.7	175.1	-64	0	0	0	0	111.5	A35 S132 D136 K137 F138	A35-S134 WeakPolarHBondContact O-CB 3.43Å; A35-S134 PolarHBondContact O-OG 3.32Å; S132-S134 PolarHBondContact O-N 3.11Å; S132-S134 WeakPolarHBondContact OG-CB 3.19Å; S132-S134 PolarHBondContact OG-N 3.2Å; S134-D136 PolarHBondContact O-N 2.92Å; S134-D136 VanDerWaalsContact O-N 3.14Å; S134-K137 WeakPolarHBondContact O-CB 3.46Å; S134-K137 PolarHBondContact O-N 3.11Å; S134-F138 VanDerWaalsContact O-CD2 3.29Å; S134-F138 WeakPolarHBondContact O-CD2 3.45Å; S134-F138 PolarHBondContact O-N 3.47Å; S134-F138 VanDerWaalsContact O-N 3.13Å
135	F	92.3	Very high	94.2	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-33.7	176.2	-179.2	-100.4	0	0	0	113.2	F128 I129 S132 D133 F140 Y354	F128-F135 HydrophobicContact CD1-CD2 4.46Å; F128-F135 HydrophobicContact CE1-CB 4.32Å; F128-F135 AromaticContact CE1-CD2 3.89Å; F128-F135 HydrophobicContact CE1-CD2 3.89Å; F128-F135 HydrophobicContact CZ-CB 4.1Å; F128-F135 HydrophobicContact CZ-CD2 4.42Å; I129-F135 HydrophobicContact CB-CD2 4.46Å; I129-F135 HydrophobicContact CB-CE2 4.39Å; I129-F135 HydrophobicContact CG1-CD2 4.13Å; I129-F135 HydrophobicContact CG1-CE2 3.92Å; I129-F135 HydrophobicContact CG2-CE1 4.24Å; I129-F135 HydrophobicContact CG2-CE2 4.13Å; I129-F135 HydrophobicContact CG2-CZ 3.97Å; S132-F135 WeakPolarHBondContact O-CB 3.26Å; S132-F135 PolarHBondContact O-N 3.49Å; D133-F135 PolarHBondContact O-N 2.87Å; F135-F140 HydrophobicContact CD2-CD1 4.23Å; F135-F140 HydrophobicContact CD2-CG 4.47Å; F135-F140 HydrophobicContact CE2-CB 4.2Å; F135-F140 AromaticContact CE2-CD1 3.73Å; F135-F140 HydrophobicContact CE2-CD1 3.73Å; F135-F140 HydrophobicContact CE2-CE1 4.47Å; F135-F140 HydrophobicContact CE2-CG 4.22Å; F135-Y354 HydrophobicContact CE1-CD1 4.09Å; F135-Y354 AromaticContact CE1-CD2 3.52Å; F135-Y354 HydrophobicContact CE1-CD2 3.52Å; F135-Y354 HydrophobicContact CE1-CE1 4.24Å; F135-Y354 AromaticContact CE1-CE2 3.68Å; F135-Y354 HydrophobicContact CE1-CE2 3.68Å; F135-Y354 AromaticContact CE1-CG 3.73Å; F135-Y354 HydrophobicContact CE1-CG 3.73Å; F135-Y354 AromaticContact CZ-CD1 3.9Å; F135-Y354 HydrophobicContact CZ-CD1 3.9Å; F135-Y354 HydrophobicContact CZ-CD2 4.02Å; F135-Y354 AromaticContact CZ-CE1 3.74Å; F135-Y354 HydrophobicContact CZ-CE1 3.74Å; F135-Y354 AromaticContact CZ-CE2 3.85Å; F135-Y354 HydrophobicContact CZ-CE2 3.85Å; F135-Y354 HydrophobicContact CZ-CG 4.03Å; F135-Y354 AromaticContact CZ-CZ 3.7Å
136	D	91.5	Very high	94.2	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-80.5	-19.4	176.9	-72.8	-52.6	0	0	0	113.8	D133 S134 R252 R256 N333 L335 R356	D133-D136 PolarHBondContact O-N 3.4Å; D133-D136 VanDerWaalsContact O-N 3.11Å; S134-D136 PolarHBondContact O-N 2.92Å; S134-D136 VanDerWaalsContact O-N 3.14Å; D136-R252 IonicContact OD1-CZ 3.02Å; D136-R252 VanDerWaalsContact OD1-CZ 3.26Å; D136-R252 IonicContact OD1-NH1 3.29Å; D136-R252 PolarHBondContact OD1-NH1 3.09Å; D136-R252 IonicContact OD1-NH2 3.88Å; D136-R252 PolarHBondContact OD1-NH2 3.04Å; D136-R256 WeakPolarHBondContact O-CD 3.28Å; D136-N333 PolarHBondContact OD2-ND2 2.91Å; D136-L335 HydrophobicContact CB-CB 4.28Å; D136-L335 HydrophobicContact CB-CD2 4.06Å; D136-L335 VanDerWaalsContact O-CD2 3.29Å; D136-L335 WeakPolarHBondContact O-CD2 3.41Å; D136-R356 IonicContact OD1-NH1 3.62Å; D136-R356 IonicContact OD2-CZ 2.68Å; D136-R356 IonicContact OD2-NH1 2.9Å; D136-R356 PolarHBondContact OD2-NH1 3.39Å
137	K	91.1	Very high	94.2	Very high	132 Å²	132	46.3 Å²	46.3	57%	0.574	23%	0.232	S	C	*	.	H	α-helix	trans	-79.4	-34.7	176.8	-61.3	176.5	-173.3	171.3	0	111.1	S134 R256	S134-K137 WeakPolarHBondContact O-CB 3.46Å; S134-K137 PolarHBondContact O-N 3.11Å; K137-R256 PolarHBondContact O-NH1 3.23Å
138	F	93.2	Very high	94.2	Very high	45 Å²	45	44.5 Å²	44.5	20%	0.197	22%	0.222	C	C	.	.	S	Bend	trans	-105.6	152.7	-171	-70	-89.5	0	0	0	114.7	Q31 A35 L100 S134 R256	Q31-F138 HydrophobicContact CB-CE1 4.11Å; Q31-F138 HydrophobicContact CB-CZ 4.09Å; A35-F138 HydrophobicContact CB-CD2 3.95Å; A35-F138 HydrophobicContact CB-CE2 3.4Å; A35-F138 HydrophobicContact CB-CZ 3.85Å; L100-F138 HydrophobicContact CB-CB 4.42Å; L100-F138 HydrophobicContact CB-CD1 4.17Å; L100-F138 HydrophobicContact CB-CG 4.35Å; L100-F138 HydrophobicContact CD1-CD2 4.46Å; L100-F138 HydrophobicContact CD1-CG 4.38Å; L100-F138 HydrophobicContact CD2-CB 3.52Å; L100-F138 HydrophobicContact CD2-CD2 4.4Å; L100-F138 HydrophobicContact CD2-CG 3.94Å; L100-F138 HydrophobicContact CG-CB 4.44Å; L100-F138 HydrophobicContact CG-CG 4.46Å; S134-F138 VanDerWaalsContact O-CD2 3.29Å; S134-F138 WeakPolarHBondContact O-CD2 3.45Å; S134-F138 PolarHBondContact O-N 3.47Å; S134-F138 VanDerWaalsContact O-N 3.13Å; F138-R256 PolarHBondContact O-NH1 2.81Å
139	E	93.3	Very high	94.1	Very high	50 Å²	50	44.7 Å²	44.7	23%	0.234	22%	0.223	C	C	.	.			trans	-80.9	137.6	161.4	-86.1	-160.1	150.2	0	0	108.6	R253 R256	E139-R253 IonicContact OE1-CZ 3.7Å; E139-R253 IonicContact OE1-NE 3.2Å; E139-R253 PolarHBondContact OE1-NE 3.19Å; E139-R253 IonicContact OE1-NH2 2.65Å; E139-R253 PolarHBondContact OE1-NH2 3.11Å; E139-R253 IonicContact OE2-CZ 2.72Å; E139-R253 IonicContact OE2-NE 3.59Å; E139-R253 IonicContact OE2-NH2 3.94Å; E139-R253 PolarHBondContact OE2-NH2 3.35Å; E139-R256 IonicContact OE1-NH2 3.15Å
140	F	96.1	Very high	94	Very high	21 Å²	21	43.7 Å²	43.7	9%	0.092	22%	0.219	C	C	.	.			trans	-132.2	125.4	-165.3	-170.5	-122.7	0	0	0	112.8	T96 L100 L125 F128 I129 F135 E142	T96-F140 HydrophobicContact CG2-CE2 3.88Å; T96-F140 HydrophobicContact CG2-CZ 3.88Å; T96-F140 WeakPolarHBondContact O-CE2 3.32Å; L100-F140 HydrophobicContact CD2-CD2 3.58Å; L100-F140 HydrophobicContact CD2-CE2 4.12Å; L100-F140 HydrophobicContact CD2-CG 4.48Å; L100-F140 HydrophobicContact CG-CD2 4.29Å; L125-F140 HydrophobicContact CD1-CE1 3.82Å; L125-F140 HydrophobicContact CD1-CZ 3.62Å; F128-F140 HydrophobicContact CD1-CE1 4.49Å; F128-F140 HydrophobicContact CD1-CZ 4.17Å; F128-F140 HydrophobicContact CE1-CD2 4.24Å; F128-F140 HydrophobicContact CE1-CE1 4.31Å; F128-F140 AromaticContact CE1-CE2 3.93Å; F128-F140 HydrophobicContact CE1-CE2 3.93Å; F128-F140 AromaticContact CE1-CZ 3.97Å; F128-F140 HydrophobicContact CE1-CZ 3.97Å; I129-F140 HydrophobicContact CD1-CE1 4.31Å; I129-F140 HydrophobicContact CG1-CE1 4.26Å; F135-F140 HydrophobicContact CD2-CD1 4.23Å; F135-F140 HydrophobicContact CD2-CG 4.47Å; F135-F140 HydrophobicContact CE2-CB 4.2Å; F135-F140 AromaticContact CE2-CD1 3.73Å; F135-F140 HydrophobicContact CE2-CD1 3.73Å; F135-F140 HydrophobicContact CE2-CE1 4.47Å; F135-F140 HydrophobicContact CE2-CG 4.22Å; F140-E142 HydrophobicContact CD1-CB 4.18Å; F140-E142 HydrophobicContact CE1-CB 3.93Å; F140-E142 HydrophobicContact CE1-CG 4.16Å
141	C	96.7	Very high	94.1	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.027	20%	0.203	C	C	.	.			trans	-90.8	99.2	162.4	-168.4	0	0	0	0	108.6	G99 L102 G103 G106 N108 P143	G99-C141 WeakPolarHBondContact CA-O 3.37Å; G99-C141 PolarHBondContact O-N 3.37Å; L102-C141 HydrophobicContact CB-CB 3.78Å; L102-C141 HydrophobicContact CD1-CB 4.47Å; G103-C141 WeakPolarHBondContact O-CB 3.24Å; G106-C141 PolarHBondContact O-SG 3.31Å; N108-C141 HydrophobicContact CB-CB 4.37Å; N108-C141 VanDerWaalsContact CB-SG 3.54Å; N108-C141 PolarHBondContact ND2-O 2.89Å; C141-P143 WeakPolarHBondContact O-CD 3.42Å
142	E	96.3	Very high	94.1	Very high	111 Å²	111	34.8 Å²	34.8	52%	0.519	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-60.5	123.1	177.1	-170.1	175.6	157.1	0	0	110.7	L125 I129 F140	L125-E142 HydrophobicContact CD2-CG 3.9Å; I129-E142 HydrophobicContact CD1-CG 4.26Å; F140-E142 HydrophobicContact CD1-CB 4.18Å; F140-E142 HydrophobicContact CE1-CB 3.93Å; F140-E142 HydrophobicContact CE1-CG 4.16Å
143	P	97.6	Very high	94.1	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.039	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-71.9	138.2	178.1	24.7	-28.2	0	0	0	111.9	N108 L125 C141 F145	N108-P143 HydrophobicContact CB-CB 4.43Å; N108-P143 CarbonylContact O-C 3.54Å; N108-P143 VanDerWaalsContact O-CA 3.31Å; N108-P143 WeakPolarHBondContact O-CA 3.39Å; L125-P143 HydrophobicContact CD1-CG 3.89Å; L125-P143 HydrophobicContact CD2-CG 3.86Å; L125-P143 HydrophobicContact CG-CG 4.45Å; C141-P143 WeakPolarHBondContact O-CD 3.42Å; P143-F145 HydrophobicContact CB-CE1 4.05Å; P143-F145 HydrophobicContact CB-CE2 4.05Å; P143-F145 HydrophobicContact CB-CZ 3.65Å; P143-F145 HydrophobicContact CG-CE1 4.49Å; P143-F145 HydrophobicContact CG-CE2 3.83Å; P143-F145 HydrophobicContact CG-CZ 3.62Å
144	A	97.3	Very high	94.1	Very high	33 Å²	33	32.1 Å²	32.1	27%	0.273	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.5	169.9	0	0	0	0	0	110.2	N108 H109 G110 P236	N108-A144 PolarHBondContact O-N 3.01Å; H109-A144 WeakPolarHBondContact CA-O 3.48Å; G110-A144 PolarHBondContact N-O 3.36Å; A144-P236 HydrophobicContact CB-CG 3.85Å
145	F	97.9	Very high	93.5	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.057	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.4	-178.5	-58	-67.1	0	0	0	112	G110 V118 A121 K122 L125 P143	G110-F145 WeakPolarHBondContact O-CA 3.07Å; V118-F145 HydrophobicContact CG1-CB 3.95Å; A121-F145 HydrophobicContact CB-CD2 4.01Å; A121-F145 HydrophobicContact CB-CE2 3.96Å; A121-F145 HydrophobicContact CB-CG 4.3Å; A121-F145 HydrophobicContact CB-CZ 4.23Å; K122-F145 HydrophobicContact CG-CD2 4.16Å; L125-F145 HydrophobicContact CB-CE2 4.47Å; L125-F145 HydrophobicContact CD2-CE2 4.14Å; P143-F145 HydrophobicContact CB-CE1 4.05Å; P143-F145 HydrophobicContact CB-CE2 4.05Å; P143-F145 HydrophobicContact CB-CZ 3.65Å; P143-F145 HydrophobicContact CG-CE1 4.49Å; P143-F145 HydrophobicContact CG-CE2 3.83Å; P143-F145 HydrophobicContact CG-CZ 3.62Å
146	V	97.1	Very high	93	Very high	30 Å²	30	43.9 Å²	43.9	18%	0.182	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.3	179.4	-178.1	0	0	0	0	110	G110 I111 E112 V233 L235 P236	G110-V146 PolarHBondContact O-N 3.22Å; I111-V146 WeakPolarHBondContact CA-O 3.43Å; E112-V146 PolarHBondContact N-O 3.47Å; V146-V233 HydrophobicContact CG1-CG1 3.71Å; V146-L235 HydrophobicContact CG2-CD2 4.27Å; V146-P236 HydrophobicContact CG2-CG 4.13Å
147	V	97.3	Very high	92.6	Very high	72 Å²	72	45.1 Å²	45.1	44%	0.436	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.7	172.4	-176.5	0	0	0	0	109	E112 V118	E112-V147 CarbonylContact O-C 3.45Å; E112-V147 VanDerWaalsContact O-CA 3.29Å; E112-V147 WeakPolarHBondContact O-CA 3.35Å; V118-V147 HydrophobicContact CB-CG2 3.83Å; V118-V147 HydrophobicContact CG1-CG2 4Å; V118-V147 HydrophobicContact CG2-CG2 3.71Å
148	G	95.1	Very high	92.5	Very high	14 Å²	14	41.2 Å²	41.2	14%	0.144	23%	0.234	C	C	.	.	S	Bend	trans	163.4	173.9	172.9	0	0	0	0	0	115	I111 E112 L113	I111-G148 VanDerWaalsContact CG2-O 3.26Å; I111-G148 WeakPolarHBondContact CG2-O 3.4Å; E112-G148 CarbonylContact C-O 3.6Å; E112-G148 PolarHBondContact O-N 3.08Å; L113-G148 WeakPolarHBondContact CA-O 3.47Å
149	N	94.4	Very high	92.6	Very high	16 Å²	16	42.9 Å²	42.9	9%	0.086	24%	0.242	C	C	.	.			trans	-83.2	127.7	175.1	-164.2	-43.9	0	0	0	110.7	L113 L151 E152 V220 V233	L113-N149 HydrophobicContact CD1-CB 4.28Å; N149-L151 PolarHBondContact O-N 3.25Å; N149-L151 VanDerWaalsContact O-N 3.1Å; N149-L151 WeakPolarHBondContact OD1-CB 3.48Å; N149-L151 PolarHBondContact OD1-N 2.9Å; N149-E152 HydrophobicContact CB-CB 4.46Å; N149-E152 HydrophobicContact CB-CG 4.41Å; N149-E152 PolarHBondContact O-N 3.07Å; N149-V220 PolarHBondContact ND2-O 3.19Å; N149-V233 WeakPolarHBondContact O-CG2 3.48Å
150	C	93.3	Very high	92.8	Very high	7 Å²	7	40.5 Å²	40.5	5%	0.047	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.5	178	-66.3	0	0	0	0	113.6	L87 E152 I153 Y176 L219	L87-C150 HydrophobicContact CB-CB 4.12Å; L87-C150 HydrophobicContact CD2-CB 3.97Å; L87-C150 HydrophobicContact CG-CB 4.48Å; C150-E152 VanDerWaalsContact C-N 3.35Å; C150-I153 WeakPolarHBondContact O-CD1 3.44Å; C150-I153 WeakPolarHBondContact O-CG1 3.28Å; C150-Y176 VanDerWaalsContact O-CE1 3.25Å; C150-Y176 WeakPolarHBondContact O-CE1 3.37Å; C150-Y176 PolarHBondContact O-OH 2.68Å; C150-Y176 VanDerWaalsContact O-OH 3.12Å; C150-L219 HydrophobicContact CB-CD2 4.49Å
151	L	92.8	Very high	92.9	Very high	21 Å²	21	41 Å²	41	11%	0.11	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.2	176.9	-62.2	174.9	0	0	0	113.8	N149 H173 Y176 M177 L219 P222	N149-L151 PolarHBondContact O-N 3.25Å; N149-L151 VanDerWaalsContact O-N 3.1Å; N149-L151 WeakPolarHBondContact OD1-CB 3.48Å; N149-L151 PolarHBondContact OD1-N 2.9Å; L151-H173 HydrophobicContact CD2-CB 3.97Å; L151-Y176 VanDerWaalsContact C-OH 3.26Å; L151-Y176 HydrophobicContact CD2-CD1 4Å; L151-Y176 HydrophobicContact CD2-CE1 4.16Å; L151-Y176 PolarHBondContact O-OH 2.9Å; L151-M177 HydrophobicContact CD2-CE 3.58Å; L151-L219 HydrophobicContact CD2-CD1 4.44Å; L151-P222 HydrophobicContact CB-CG 4.16Å
152	E	92.1	Very high	93	Very high	49 Å²	49	42.2 Å²	42.2	23%	0.229	24%	0.239	C	C	.	.	S	Bend	trans	-125.9	33.8	-177.6	-64.6	-177.4	125.7	0	0	112.2	N149 C150 Y176 P222 H230 T232 V233	N149-E152 HydrophobicContact CB-CB 4.46Å; N149-E152 HydrophobicContact CB-CG 4.41Å; N149-E152 PolarHBondContact O-N 3.07Å; C150-E152 VanDerWaalsContact C-N 3.35Å; E152-Y176 PolarHBondContact N-OH 2.83Å; E152-P222 HydrophobicContact CG-CB 4.14Å; E152-P222 HydrophobicContact CG-CG 3.61Å; E152-P222 WeakPolarHBondContact OE1-CB 3.48Å; E152-H230 IonicContact OE1-CE1 3.75Å; E152-H230 IonicContact OE1-ND1 2.75Å; E152-H230 PolarHBondContact OE1-ND1 3.42Å; E152-T232 CarbonylContact O-C 3.55Å; E152-T232 WeakPolarHBondContact O-CA 3.43Å; E152-V233 PolarHBondContact O-N 3.43Å
153	I	92.1	Very high	93.1	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.067	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-68	136	177.8	-59.2	168.5	0	0	0	109.2	L85 L87 I111 C150 S155 Y176 L180 L235	L85-I153 HydrophobicContact CD2-CD1 4.29Å; L87-I153 HydrophobicContact CD2-CD1 3.84Å; I111-I153 HydrophobicContact CD1-CD1 3.51Å; I111-I153 HydrophobicContact CD1-CG1 3.53Å; C150-I153 WeakPolarHBondContact O-CD1 3.44Å; C150-I153 WeakPolarHBondContact O-CG1 3.28Å; I153-S155 PolarHBondContact O-N 3.11Å; I153-Y176 WeakPolarHBondContact CB-OH 3.43Å; I153-Y176 PolarHBondContact N-OH 3.29Å; I153-L180 HydrophobicContact CD1-CD1 3.7Å; I153-L180 HydrophobicContact CD1-CD2 4.5Å; I153-L235 HydrophobicContact CG2-CD1 4.05Å
154	A	87.6	Confident	93.1	Very high	8 Å²	8	36.8 Å²	36.8	7%	0.066	21%	0.213	C	C	.	.			trans	-56.1	135.4	179.9	0	0	0	0	0	111.7	D156 S157 V233	A154-D156 WeakPolarHBondContact CB-OD1 3.24Å; A154-D156 PolarHBondContact O-N 3.14Å; A154-S157 WeakPolarHBondContact O-CB 3.43Å; A154-S157 PolarHBondContact O-N 3.13Å; A154-V233 PolarHBondContact N-O 3.44Å
155	S	79.4	Confident	93.2	Very high	130 Å²	130	35.2 Å²	35.2	91%	0.909	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20	-174.4	51.1	0	0	0	0	114.4	I153 S157	I153-S155 PolarHBondContact O-N 3.11Å; S155-S157 VanDerWaalsContact C-N 3.31Å
156	D	81.1	Confident	93	Very high	144 Å²	144	35.3 Å²	35.3	77%	0.77	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	1.4	175.3	64.2	-21.8	0	0	0	112.9	A154	A154-D156 WeakPolarHBondContact CB-OD1 3.24Å; A154-D156 PolarHBondContact O-N 3.14Å
157	S	83.6	Confident	92.9	Very high	28 Å²	28	34.6 Å²	34.6	20%	0.196	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-59.1	143.4	172.9	-179.3	0	0	0	0	111.2	A154 S155	A154-S157 WeakPolarHBondContact O-CB 3.43Å; A154-S157 PolarHBondContact O-N 3.13Å; S155-S157 VanDerWaalsContact C-N 3.31Å
158	H	88	Confident	92.7	Very high	51 Å²	51	32 Å²	32	24%	0.236	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-69	154.5	174.8	64.5	86.3	0	0	0	111.5	H109 Y160 C238	H109-H158 AromaticContact CE1-NE2 3.4Å; H109-H158 PolarHBondContact CE1-NE2 2.82Å; H109-H158 AromaticContact ND1-NE2 3.57Å; H158-Y160 AromaticContact CE1-CD1 3.96Å; H158-Y160 AromaticContact CE1-CE1 3.26Å; H158-Y160 WeakPolarHBondContact CE1-CE1 3.29Å; H158-Y160 AromaticContact CE1-CE2 3.63Å; H158-Y160 AromaticContact CE1-CZ 3.06Å; H158-Y160 PolarHBondContact CE1-OH 2.93Å; H158-Y160 AromaticContact ND1-CE1 3.96Å; H158-Y160 AromaticContact ND1-CE2 3.75Å; H158-Y160 AromaticContact ND1-CZ 3.67Å; H158-Y160 AromaticContact NE2-CZ 3.7Å; H158-Y160 PolarHBondContact NE2-OH 2.88Å; H158-Y160 WeakPolarHBondContact O-CD2 3.36Å; H158-Y160 VanDerWaalsContact O-CE2 3.26Å; H158-Y160 WeakPolarHBondContact O-CE2 3.29Å; H158-C238 PolarHBondContact CD2-SG 3.48Å; H158-C238 PolarHBondContact NE2-SG 2.86Å
159	Q	95	Very high	92.7	Very high	80 Å²	80	31.6 Å²	31.6	37%	0.374	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-77.9	160.9	170.7	-68.9	178.7	-37.4	0	0	111.3	I179 L180 K182	Q159-I179 PolarHBondContact NE2-O 3.1Å; Q159-L180 CarbonylContact C-O 3.52Å; Q159-L180 WeakPolarHBondContact CA-O 3.37Å; Q159-L180 WeakPolarHBondContact CB-O 3.24Å; Q159-K182 HydrophobicContact CB-CB 4.47Å; Q159-K182 HydrophobicContact CB-CG 3.5Å; Q159-K182 VanDerWaalsContact CB-CG 3.5Å; Q159-K182 WeakPolarHBondContact O-CE 3.14Å
160	Y	97.5	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.6	-175.6	-70.5	-94.6	0	0	0	113.1	S83 F84 L85 I107 H109 H158 I163 L180 K182 L235	S83-Y160 WeakPolarHBondContact OG-CA 3.25Å; F84-Y160 VanDerWaalsContact C-CD1 3.42Å; F84-Y160 WeakPolarHBondContact O-CE1 3.33Å; L85-Y160 HydrophobicContact CB-CD1 3.66Å; L85-Y160 HydrophobicContact CB-CD2 3.84Å; L85-Y160 HydrophobicContact CB-CE1 3.73Å; L85-Y160 HydrophobicContact CB-CE2 3.95Å; L85-Y160 HydrophobicContact CB-CG 3.68Å; L85-Y160 HydrophobicContact CD1-CE1 4.46Å; L85-Y160 HydrophobicContact CD1-CE2 4.28Å; L85-Y160 HydrophobicContact CD2-CD2 3.86Å; L85-Y160 HydrophobicContact CD2-CE2 3.73Å; L85-Y160 HydrophobicContact CG-CD2 4.42Å; L85-Y160 HydrophobicContact CG-CE2 4.21Å; I107-Y160 HydrophobicContact CG2-CE1 4.35Å; H109-Y160 HydrophobicContact CB-CE1 4.33Å; H109-Y160 AromaticContact ND1-CZ 3.85Å; H109-Y160 PolarHBondContact ND1-OH 3.32Å; H158-Y160 AromaticContact CE1-CD1 3.96Å; H158-Y160 AromaticContact CE1-CE1 3.26Å; H158-Y160 WeakPolarHBondContact CE1-CE1 3.29Å; H158-Y160 AromaticContact CE1-CE2 3.63Å; H158-Y160 AromaticContact CE1-CZ 3.06Å; H158-Y160 PolarHBondContact CE1-OH 2.93Å; H158-Y160 AromaticContact ND1-CE1 3.96Å; H158-Y160 AromaticContact ND1-CE2 3.75Å; H158-Y160 AromaticContact ND1-CZ 3.67Å; H158-Y160 AromaticContact NE2-CZ 3.7Å; H158-Y160 PolarHBondContact NE2-OH 2.88Å; H158-Y160 WeakPolarHBondContact O-CD2 3.36Å; H158-Y160 VanDerWaalsContact O-CE2 3.26Å; H158-Y160 WeakPolarHBondContact O-CE2 3.29Å; Y160-I163 HydrophobicContact CG-CG1 4.48Å; Y160-L180 PolarHBondContact N-O 3.12Å; Y160-K182 PolarHBondContact O-N 3.44Å; Y160-L235 HydrophobicContact CE2-CD1 4.16Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.42Å
161	D	98.6	Very high	92.3	Very high	32 Å²	32	40.1 Å²	40.1	17%	0.171	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-33.2	172.6	-59.8	-71.4	0	0	0	110.8	L82 S83 K182 G185 I186	L82-D161 HydrophobicContact CB-CB 4.05Å; L82-D161 HydrophobicContact CD1-CB 4.48Å; L82-D161 HydrophobicContact CD2-CB 3.94Å; L82-D161 HydrophobicContact CG-CB 4.38Å; S83-D161 WeakPolarHBondContact CB-OD2 3.4Å; S83-D161 PolarHBondContact N-OD2 3.37Å; S83-D161 WeakPolarHBondContact O-CB 3.42Å; S83-D161 PolarHBondContact O-N 3.1Å; S83-D161 VanDerWaalsContact O-N 3.1Å; S83-D161 PolarHBondContact OG-N 3.26Å; S83-D161 PolarHBondContact OG-OD2 3.3Å; D161-K182 WeakPolarHBondContact OD1-CD 3.47Å; D161-K182 IonicContact OD1-NZ 3.44Å; D161-K182 PolarHBondContact OD1-NZ 3.36Å; D161-K182 IonicContact OD2-NZ 2.91Å; D161-K182 PolarHBondContact OD2-NZ 2.78Å; D161-G185 CarbonylContact O-C 3.46Å; D161-G185 WeakPolarHBondContact O-CA 3.48Å; D161-I186 PolarHBondContact O-N 3.22Å
162	R	98.8	Very high	92.3	Very high	28 Å²	28	45.9 Å²	45.9	11%	0.106	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	132.8	-174.2	-60	-61.2	-175.7	-89.8	-1.1	110.3	L76 K77 L78 L82 S83 F84 L85 I186	L76-R162 HydrophobicContact CD2-CB 4.24Å; L76-R162 WeakPolarHBondContact O-CD 3.29Å; L76-R162 PolarHBondContact O-NE 3.39Å; K77-R162 PolarHBondContact O-NE 3.46Å; K77-R162 PolarHBondContact O-NH2 3.37Å; K77-R162 VanDerWaalsContact O-NH2 3.11Å; L78-R162 HydrophobicContact CD2-CB 4.21Å; L78-R162 HydrophobicContact CD2-CG 4.07Å; L82-R162 HydrophobicContact CD1-CG 4.04Å; L82-R162 VanDerWaalsContact CD1-CZ 3.49Å; S83-R162 PolarHBondContact O-N 3.47Å; F84-R162 CarbonylContact C-O 3.58Å; F84-R162 VanDerWaalsContact CA-O 3.25Å; F84-R162 WeakPolarHBondContact CA-O 3.21Å; F84-R162 HydrophobicContact CB-CB 4.46Å; F84-R162 HydrophobicContact CD2-CB 3.82Å; L85-R162 PolarHBondContact N-O 3.43Å; R162-I186 CarbonylContact C-O 3.53Å; R162-I186 WeakPolarHBondContact CA-O 3.14Å
163	I	98.6	Very high	92.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.2	177.8	-54.5	179.7	0	0	0	109	L76 L85 L87 Y160 L180 L181 I186 L187 V188	L76-I163 WeakPolarHBondContact CD2-O 3.44Å; L85-I163 HydrophobicContact CB-CG1 4.18Å; L85-I163 HydrophobicContact CB-CG2 4.34Å; L85-I163 HydrophobicContact CD2-CG2 4.49Å; L85-I163 WeakPolarHBondContact O-CA 3.38Å; L87-I163 HydrophobicContact CD1-CG2 3.99Å; L87-I163 HydrophobicContact CG-CG2 4.26Å; Y160-I163 HydrophobicContact CG-CG1 4.48Å; I163-L180 HydrophobicContact CD1-CB 3.59Å; I163-L181 HydrophobicContact CB-CD1 4.33Å; I163-L181 HydrophobicContact CD1-CB 4.09Å; I163-L181 HydrophobicContact CD1-CD1 3.79Å; I163-L181 HydrophobicContact CG1-CD1 3.71Å; I163-I186 PolarHBondContact N-O 2.83Å; I163-L187 HydrophobicContact CB-CD1 3.66Å; I163-L187 HydrophobicContact CG2-CD1 3.56Å; I163-L187 CarbonylContact O-C 3.58Å; I163-L187 WeakPolarHBondContact O-CA 3.24Å; I163-V188 PolarHBondContact O-N 3.3Å
164	Y	98.6	Very high	92.4	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.8	167.8	171.5	-118.6	0	0	0	110.2	Y69 V72 L85 N86 L87 L94 V188	Y69-Y164 HydrophobicContact CE1-CE1 4.45Å; V72-Y164 HydrophobicContact CB-CD2 4.34Å; V72-Y164 HydrophobicContact CB-CE2 4.26Å; V72-Y164 HydrophobicContact CG1-CD1 4.29Å; V72-Y164 HydrophobicContact CG1-CD2 3.43Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.43Å; V72-Y164 HydrophobicContact CG1-CE2 3.77Å; V72-Y164 HydrophobicContact CG1-CG 3.71Å; V72-Y164 HydrophobicContact CG2-CD2 3.88Å; V72-Y164 HydrophobicContact CG2-CE2 3.41Å; V72-Y164 VanDerWaalsContact CG2-CE2 3.41Å; L85-Y164 PolarHBondContact O-N 2.87Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.47Å; L87-Y164 PolarHBondContact N-O 2.92Å; L94-Y164 HydrophobicContact CD2-CD1 3.22Å; L94-Y164 HydrophobicContact CD2-CE1 3.45Å; L94-Y164 VanDerWaalsContact CD2-CE1 3.45Å; L94-Y164 HydrophobicContact CD2-CG 4.06Å; Y164-V188 VanDerWaalsContact CA-O 3.32Å; Y164-V188 WeakPolarHBondContact CA-O 3.48Å; Y164-V188 HydrophobicContact CD2-CB 4.37Å; Y164-V188 HydrophobicContact CD2-CG1 4.3Å; Y164-V188 WeakPolarHBondContact CD2-O 3.07Å
165	C	97.6	Very high	92.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115	168.3	-171.5	0	0	0	0	110.5	L87 A167 V169 V188 M189 P190	L87-C165 HydrophobicContact CB-CB 4.21Å; L87-C165 HydrophobicContact CD1-CB 4.33Å; C165-A167 PolarHBondContact O-N 3.22Å; C165-A167 PolarHBondContact SG-O 3.34Å; C165-V169 HydrophobicContact CB-CG2 4.1Å; C165-V169 VanDerWaalsContact SG-CG2 3.57Å; C165-V188 PolarHBondContact N-O 3.22Å; C165-M189 HydrophobicContact CB-CB 3.63Å; C165-P190 WeakPolarHBondContact O-CD 3.25Å
166	G	94.9	Very high	93.3	Very high	15 Å²	15	48.1 Å²	48.1	16%	0.155	25%	0.247	C	C	.	.			trans	-80	10.7	179.6	0	0	0	0	0	115.1	L87 F216	L87-G166 PolarHBondContact O-N 3.5Å; G166-F216 VanDerWaalsContact O-CD1 3.24Å; G166-F216 WeakPolarHBondContact O-CD1 3.38Å
167	A	93.7	Very high	93.9	Very high	16 Å²	16	41.2 Å²	41.2	13%	0.132	21%	0.211	C	C	.	.	S	Bend	trans	-140.1	152.9	-179.6	0	0	0	0	0	111.3	C165 V169 P190 A217 L219	C165-A167 PolarHBondContact O-N 3.22Å; C165-A167 PolarHBondContact SG-O 3.34Å; A167-V169 WeakPolarHBondContact O-CG2 3.49Å; A167-V169 PolarHBondContact O-N 3.36Å; A167-P190 VanDerWaalsContact O-CG 3.23Å; A167-P190 WeakPolarHBondContact O-CG 3.46Å; A167-A217 CarbonylContact C-O 3.56Å; A167-A217 WeakPolarHBondContact CA-O 3.38Å; A167-L219 HydrophobicContact CB-CD2 3.69Å; A167-L219 HydrophobicContact CB-CG 3.82Å
168	G	93.8	Very high	94.4	Very high	16 Å²	16	40.9 Å²	40.9	17%	0.165	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-58.1	117.3	179.9	0	0	0	0	0	112.3	A217 L219	G168-A217 PolarHBondContact N-O 3.02Å; G168-L219 PolarHBondContact O-N 3.05Å
169	V	94.3	Very high	94.7	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.042	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-94.1	126.2	179.7	-170.7	0	0	0	0	109.7	C165 A167 H173 M177 M189 P190 L219	C165-V169 HydrophobicContact CB-CG2 4.1Å; C165-V169 VanDerWaalsContact SG-CG2 3.57Å; A167-V169 WeakPolarHBondContact O-CG2 3.49Å; A167-V169 PolarHBondContact O-N 3.36Å; V169-H173 HydrophobicContact CG1-CB 4.06Å; V169-M177 HydrophobicContact CG1-CG 4.27Å; V169-M189 HydrophobicContact CB-SD 4.06Å; V169-M189 HydrophobicContact CG1-CE 4.39Å; V169-M189 HydrophobicContact CG1-SD 4.08Å; V169-M189 HydrophobicContact CG2-CB 3.98Å; V169-M189 HydrophobicContact CG2-CG 4.19Å; V169-M189 HydrophobicContact CG2-SD 3.73Å; V169-P190 PolarHBondContact N-O 3.44Å; V169-L219 HydrophobicContact CB-CD1 4.36Å; V169-L219 HydrophobicContact CG1-CD1 4.37Å; V169-L219 HydrophobicContact CG2-CD1 3.81Å
170	Q	91.9	Very high	94.7	Very high	82 Å²	82	40.9 Å²	40.9	38%	0.383	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-74.6	147.1	171.4	-65.3	176.6	-6.2	0	0	110.1	D172 H173	Q170-D172 PolarHBondContact O-N 3.39Å; Q170-D172 VanDerWaalsContact O-N 3.12Å; Q170-H173 PolarHBondContact O-N 3.12Å
171	K	89.4	Confident	94.7	Very high	120 Å²	120	40.9 Å²	40.9	52%	0.522	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-53.5	-37.3	-176.6	-160.8	178	-155.3	132.7	0	113.5	H173 E174 E192	K171-H173 PolarHBondContact O-N 3.3Å; K171-E174 VanDerWaalsContact O-CB 3.24Å; K171-E174 WeakPolarHBondContact O-CB 3.38Å; K171-E174 PolarHBondContact O-N 3.3Å; K171-E174 VanDerWaalsContact O-N 3.1Å; K171-E192 WeakPolarHBondContact CD-OE1 3.47Å; K171-E192 IonicContact NZ-OE1 3.96Å; K171-E192 PolarHBondContact NZ-OE1 2.87Å; K171-E192 IonicContact NZ-OE2 2.79Å
172	D	91.4	Very high	94.6	Very high	141 Å²	141	42.6 Å²	42.6	75%	0.754	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-63.5	-24.8	179.6	-63.3	-10.5	0	0	0	113.1	Q170	Q170-D172 PolarHBondContact O-N 3.39Å; Q170-D172 VanDerWaalsContact O-N 3.12Å
173	H	92.6	Very high	94.6	Very high	40 Å²	40	45 Å²	45	19%	0.185	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-95.7	-3.1	178.2	-59.3	138.7	0	0	0	113.6	L151 V169 Q170 K171 N175 Y176 M177	L151-H173 HydrophobicContact CD2-CB 3.97Å; V169-H173 HydrophobicContact CG1-CB 4.06Å; Q170-H173 PolarHBondContact O-N 3.12Å; K171-H173 PolarHBondContact O-N 3.3Å; H173-N175 VanDerWaalsContact C-N 3.32Å; H173-N175 PolarHBondContact O-N 2.89Å; H173-Y176 WeakPolarHBondContact O-CB 3.22Å; H173-Y176 PolarHBondContact O-N 3.31Å; H173-M177 PolarHBondContact O-N 2.83Å
174	E	93.4	Very high	94.5	Very high	35 Å²	35	47.2 Å²	47.2	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-45.5	-179.4	-177.5	-175.8	162.1	0	0	111.8	K171 Y176 M177 K178 M189 I191	K171-E174 VanDerWaalsContact O-CB 3.24Å; K171-E174 WeakPolarHBondContact O-CB 3.38Å; K171-E174 PolarHBondContact O-N 3.3Å; K171-E174 VanDerWaalsContact O-N 3.1Å; E174-Y176 VanDerWaalsContact C-N 3.32Å; E174-Y176 PolarHBondContact O-N 2.93Å; E174-M177 PolarHBondContact O-N 3Å; E174-K178 HydrophobicContact CG-CD 4.3Å; E174-K178 WeakPolarHBondContact O-CG 3.49Å; E174-K178 PolarHBondContact O-N 2.96Å; E174-K178 WeakPolarHBondContact OE1-CE 3.36Å; E174-K178 IonicContact OE1-NZ 2.6Å; E174-K178 PolarHBondContact OE1-NZ 3.41Å; E174-M189 HydrophobicContact CB-CE 4.21Å; E174-M189 HydrophobicContact CG-CE 3.69Å; E174-I191 HydrophobicContact CB-CD1 4.06Å; E174-I191 HydrophobicContact CG-CD1 4.09Å; E174-I191 WeakPolarHBondContact OE2-CD1 3.29Å
175	N	93.3	Very high	94.5	Very high	108 Å²	108	47 Å²	47	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-66	-35.6	-178.9	-71.7	-32.3	0	0	0	112.4	H173 K178 I179	H173-N175 VanDerWaalsContact C-N 3.32Å; H173-N175 PolarHBondContact O-N 2.89Å; N175-K178 PolarHBondContact O-N 3.14Å; N175-I179 WeakPolarHBondContact O-CG1 3.3Å; N175-I179 PolarHBondContact O-N 2.89Å
176	Y	93.3	Very high	94.6	Very high	64 Å²	64	47.5 Å²	47.5	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-46.5	175.9	170.8	-91.5	0	0	0	110.7	C150 L151 E152 I153 H173 E174 K178 I179 L180	C150-Y176 VanDerWaalsContact O-CE1 3.25Å; C150-Y176 WeakPolarHBondContact O-CE1 3.37Å; C150-Y176 PolarHBondContact O-OH 2.68Å; C150-Y176 VanDerWaalsContact O-OH 3.12Å; L151-Y176 VanDerWaalsContact C-OH 3.26Å; L151-Y176 HydrophobicContact CD2-CD1 4Å; L151-Y176 HydrophobicContact CD2-CE1 4.16Å; L151-Y176 PolarHBondContact O-OH 2.9Å; E152-Y176 PolarHBondContact N-OH 2.83Å; I153-Y176 WeakPolarHBondContact CB-OH 3.43Å; I153-Y176 PolarHBondContact N-OH 3.29Å; H173-Y176 WeakPolarHBondContact O-CB 3.22Å; H173-Y176 PolarHBondContact O-N 3.31Å; E174-Y176 VanDerWaalsContact C-N 3.32Å; E174-Y176 PolarHBondContact O-N 2.93Å; Y176-K178 VanDerWaalsContact C-N 3.33Å; Y176-K178 PolarHBondContact O-N 3.04Å; Y176-I179 PolarHBondContact O-N 3.47Å; Y176-L180 HydrophobicContact CE1-CD1 4.38Å
177	M	94.4	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-38.2	177.2	-59.8	-52.9	-176.7	0	0	112.6	L87 L151 V169 H173 E174 I179 L180 L187 M189 L219	L87-M177 HydrophobicContact CD1-CE 4.06Å; L87-M177 HydrophobicContact CD1-SD 3.46Å; L87-M177 WeakPolarHBondContact CD1-SD 3.32Å; L151-M177 HydrophobicContact CD2-CE 3.58Å; V169-M177 HydrophobicContact CG1-CG 4.27Å; H173-M177 PolarHBondContact O-N 2.83Å; E174-M177 PolarHBondContact O-N 3Å; M177-I179 VanDerWaalsContact C-N 3.34Å; M177-I179 PolarHBondContact O-N 2.8Å; M177-L180 PolarHBondContact O-N 3.41Å; M177-L180 HydrophobicContact SD-CD1 4.49Å; M177-L187 HydrophobicContact CB-CD2 3.93Å; M177-M189 HydrophobicContact CB-SD 4.03Å; M177-M189 HydrophobicContact CG-SD 4.08Å; M177-L219 HydrophobicContact CE-CD1 3.53Å
178	K	94.4	Very high	95	Very high	20 Å²	20	46 Å²	46	9%	0.087	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-40.1	177.2	-82.3	176.7	176.7	170.4	0	112.7	E174 N175 Y176 L180 L181 L187 W206	E174-K178 HydrophobicContact CG-CD 4.3Å; E174-K178 WeakPolarHBondContact O-CG 3.49Å; E174-K178 PolarHBondContact O-N 2.96Å; E174-K178 WeakPolarHBondContact OE1-CE 3.36Å; E174-K178 IonicContact OE1-NZ 2.6Å; E174-K178 PolarHBondContact OE1-NZ 3.41Å; N175-K178 PolarHBondContact O-N 3.14Å; Y176-K178 VanDerWaalsContact C-N 3.33Å; Y176-K178 PolarHBondContact O-N 3.04Å; K178-L180 PolarHBondContact O-N 3.47Å; K178-L181 VanDerWaalsContact O-CB 3.31Å; K178-L181 WeakPolarHBondContact O-CB 3.44Å; K178-L181 PolarHBondContact O-N 2.91Å; K178-L187 HydrophobicContact CG-CD2 4.39Å; K178-W206 HydrophobicContact CB-CE3 4.46Å; K178-W206 HydrophobicContact CB-CH2 3.49Å; K178-W206 VanDerWaalsContact CB-CH2 3.49Å; K178-W206 HydrophobicContact CB-CZ2 3.77Å; K178-W206 HydrophobicContact CB-CZ3 3.83Å; K178-W206 HydrophobicContact CD-CD2 3.89Å; K178-W206 HydrophobicContact CD-CE3 4.09Å; K178-W206 HydrophobicContact CD-CG 4.35Å; K178-W206 HydrophobicContact CD-CH2 4.4Å; K178-W206 HydrophobicContact CD-CZ2 4.23Å; K178-W206 HydrophobicContact CD-CZ3 4.3Å; K178-W206 HydrophobicContact CG-CD2 4.26Å; K178-W206 HydrophobicContact CG-CE3 3.97Å; K178-W206 HydrophobicContact CG-CH2 3.92Å; K178-W206 HydrophobicContact CG-CZ2 4.22Å; K178-W206 HydrophobicContact CG-CZ3 3.75Å; K178-W206 WeakPolarHBondContact O-CH2 3.48Å
179	I	93.4	Very high	95.2	Very high	113 Å²	113	45.2 Å²	45.2	58%	0.579	24%	0.235	S	C	*	.	H	α-helix	trans	-63.1	-28.5	-176.1	-70.5	163	0	0	0	112.4	Q159 N175 Y176 M177 L181	Q159-I179 PolarHBondContact NE2-O 3.1Å; N175-I179 WeakPolarHBondContact O-CG1 3.3Å; N175-I179 PolarHBondContact O-N 2.89Å; Y176-I179 PolarHBondContact O-N 3.47Å; M177-I179 VanDerWaalsContact C-N 3.34Å; M177-I179 PolarHBondContact O-N 2.8Å; I179-L181 PolarHBondContact O-N 3.26Å
180	L	95.2	Very high	95.2	Very high	18 Å²	18	45 Å²	45	9%	0.094	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.2	176.4	-57.2	172.8	0	0	0	113.1	L85 I153 Q159 Y160 I163 Y176 M177 K178	L85-L180 HydrophobicContact CD2-CD1 4.25Å; I153-L180 HydrophobicContact CD1-CD1 3.7Å; I153-L180 HydrophobicContact CD1-CD2 4.5Å; Q159-L180 CarbonylContact C-O 3.52Å; Q159-L180 WeakPolarHBondContact CA-O 3.37Å; Q159-L180 WeakPolarHBondContact CB-O 3.24Å; Y160-L180 PolarHBondContact N-O 3.12Å; I163-L180 HydrophobicContact CD1-CB 3.59Å; Y176-L180 HydrophobicContact CE1-CD1 4.38Å; M177-L180 PolarHBondContact O-N 3.41Å; M177-L180 HydrophobicContact SD-CD1 4.49Å; K178-L180 PolarHBondContact O-N 3.47Å
181	L	97.1	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.2	-173.9	-163.1	68	0	0	0	111.8	I163 K178 I179 G185 L187 R200 W206	I163-L181 HydrophobicContact CB-CD1 4.33Å; I163-L181 HydrophobicContact CD1-CB 4.09Å; I163-L181 HydrophobicContact CD1-CD1 3.79Å; I163-L181 HydrophobicContact CG1-CD1 3.71Å; K178-L181 VanDerWaalsContact O-CB 3.31Å; K178-L181 WeakPolarHBondContact O-CB 3.44Å; K178-L181 PolarHBondContact O-N 2.91Å; I179-L181 PolarHBondContact O-N 3.26Å; L181-G185 WeakPolarHBondContact CD2-O 3.5Å; L181-L187 HydrophobicContact CD1-CB 4.3Å; L181-L187 HydrophobicContact CD2-CB 3.72Å; L181-R200 HydrophobicContact CD2-CB 4.06Å; L181-R200 WeakPolarHBondContact O-CD 3.31Å; L181-R200 PolarHBondContact O-NH1 3.03Å; L181-W206 HydrophobicContact CB-CZ3 4.45Å; L181-W206 HydrophobicContact CD2-CZ3 4.01Å
182	K	97.3	Very high	95.4	Very high	69 Å²	69	42.2 Å²	42.2	30%	0.3	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	159.5	172.4	-67.4	177.4	-167.1	168.7	0	111.4	S83 Q159 Y160 D161 G184 G185 R200	S83-K182 PolarHBondContact OG-NZ 2.97Å; Q159-K182 HydrophobicContact CB-CB 4.47Å; Q159-K182 HydrophobicContact CB-CG 3.5Å; Q159-K182 VanDerWaalsContact CB-CG 3.5Å; Q159-K182 WeakPolarHBondContact O-CE 3.14Å; Y160-K182 PolarHBondContact O-N 3.44Å; D161-K182 WeakPolarHBondContact OD1-CD 3.47Å; D161-K182 IonicContact OD1-NZ 3.44Å; D161-K182 PolarHBondContact OD1-NZ 3.36Å; D161-K182 IonicContact OD2-NZ 2.91Å; D161-K182 PolarHBondContact OD2-NZ 2.78Å; K182-G184 PolarHBondContact O-N 2.94Å; K182-G185 WeakPolarHBondContact O-CA 3.28Å; K182-G185 PolarHBondContact O-N 2.79Å; K182-R200 WeakPolarHBondContact O-CB 3.28Å; K182-R200 WeakPolarHBondContact O-CD 3.33Å
183	V	97.7	Very high	95.3	Very high	79 Å²	79	40.7 Å²	40.7	48%	0.479	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.8	166.2	-179.4	0	0	0	0	108.9	R200	V183-R200 HydrophobicContact CG2-CG 4.44Å
184	G	97.8	Very high	95.4	Very high	45 Å²	45	41.8 Å²	41.8	46%	0.464	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.1	-2.3	-169.2	0	0	0	0	0	114.2	K182 R200	K182-G184 PolarHBondContact O-N 2.94Å; G184-R200 WeakPolarHBondContact CA-O 3.42Å; G184-R200 PolarHBondContact N-O 2.71Å
185	G	98.4	Very high	95.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	159.7	178.9	0	0	0	0	0	113.4	D161 L181 K182 L199 R200	D161-G185 CarbonylContact O-C 3.46Å; D161-G185 WeakPolarHBondContact O-CA 3.48Å; L181-G185 WeakPolarHBondContact CD2-O 3.5Å; K182-G185 WeakPolarHBondContact O-CA 3.28Å; K182-G185 PolarHBondContact O-N 2.79Å; G185-L199 WeakPolarHBondContact O-CD1 3.35Å; G185-R200 PolarHBondContact O-N 3.24Å
186	I	98.8	Very high	95.8	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.046	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.6	179.2	-57.8	172	0	0	0	110.3	K77 D161 R162 I163 V188 Q197 I198 L199	K77-I186 HydrophobicContact CB-CD1 4Å; K77-I186 HydrophobicContact CD-CD1 3.96Å; K77-I186 HydrophobicContact CG-CD1 4.15Å; D161-I186 PolarHBondContact O-N 3.22Å; R162-I186 CarbonylContact C-O 3.53Å; R162-I186 WeakPolarHBondContact CA-O 3.14Å; I163-I186 PolarHBondContact N-O 2.83Å; I186-V188 HydrophobicContact CG2-CG2 4.17Å; I186-Q197 HydrophobicContact CG2-CG 3.71Å; I186-I198 WeakPolarHBondContact CA-O 3.23Å; I186-L199 HydrophobicContact CG1-CD1 3.96Å
187	L	98.5	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129	172.3	166.9	64.1	0	0	0	108.9	I163 M177 K178 L181 M189 Q197 I198	I163-L187 HydrophobicContact CB-CD1 3.66Å; I163-L187 HydrophobicContact CG2-CD1 3.56Å; I163-L187 CarbonylContact O-C 3.58Å; I163-L187 WeakPolarHBondContact O-CA 3.24Å; M177-L187 HydrophobicContact CB-CD2 3.93Å; K178-L187 HydrophobicContact CG-CD2 4.39Å; L181-L187 HydrophobicContact CD1-CB 4.3Å; L181-L187 HydrophobicContact CD2-CB 3.72Å; L187-M189 HydrophobicContact CD1-CB 4.43Å; L187-M189 HydrophobicContact CD1-CG 4.46Å; L187-M189 HydrophobicContact CD1-SD 4.18Å; L187-M189 HydrophobicContact CD2-CE 4.05Å; L187-M189 HydrophobicContact CD2-SD 3.83Å; L187-M189 HydrophobicContact CG-CG 4.34Å; L187-M189 HydrophobicContact CG-SD 4.14Å; L187-Q197 CarbonylContact O-C 3.52Å; L187-Q197 WeakPolarHBondContact O-CA 3.38Å; L187-I198 HydrophobicContact CB-CB 4.31Å; L187-I198 HydrophobicContact CD2-CD1 4.38Å; L187-I198 PolarHBondContact N-O 3.14Å; L187-I198 PolarHBondContact O-N 2.81Å
188	V	98.6	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.7	173.2	-179.9	0	0	0	0	108.3	V72 A75 L76 I163 Y164 C165 I186 L195 T196 I211	V72-V188 HydrophobicContact CG1-CG1 4.48Å; V72-V188 HydrophobicContact CG2-CG1 4.1Å; A75-V188 HydrophobicContact CB-CG2 3.84Å; L76-V188 HydrophobicContact CD2-CB 4.16Å; L76-V188 HydrophobicContact CD2-CG2 3.72Å; L76-V188 HydrophobicContact CG-CG2 3.97Å; I163-V188 PolarHBondContact O-N 3.3Å; Y164-V188 VanDerWaalsContact CA-O 3.32Å; Y164-V188 WeakPolarHBondContact CA-O 3.48Å; Y164-V188 HydrophobicContact CD2-CB 4.37Å; Y164-V188 HydrophobicContact CD2-CG1 4.3Å; Y164-V188 WeakPolarHBondContact CD2-O 3.07Å; C165-V188 PolarHBondContact N-O 3.22Å; I186-V188 HydrophobicContact CG2-CG2 4.17Å; V188-L195 HydrophobicContact CG1-CD1 3.95Å; V188-L195 HydrophobicContact CG1-CD2 4.43Å; V188-L195 HydrophobicContact CG1-CG 4.1Å; V188-T196 WeakPolarHBondContact CA-O 3.35Å; V188-I211 HydrophobicContact CG1-CD1 4.23Å
189	M	97.3	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	151.4	178.6	65.3	-174.8	-173.6	0	0	112	C165 V169 E174 M177 L187 I191 T196 I198	C165-M189 HydrophobicContact CB-CB 3.63Å; V169-M189 HydrophobicContact CB-SD 4.06Å; V169-M189 HydrophobicContact CG1-CE 4.39Å; V169-M189 HydrophobicContact CG1-SD 4.08Å; V169-M189 HydrophobicContact CG2-CB 3.98Å; V169-M189 HydrophobicContact CG2-CG 4.19Å; V169-M189 HydrophobicContact CG2-SD 3.73Å; E174-M189 HydrophobicContact CB-CE 4.21Å; E174-M189 HydrophobicContact CG-CE 3.69Å; M177-M189 HydrophobicContact CB-SD 4.03Å; M177-M189 HydrophobicContact CG-SD 4.08Å; L187-M189 HydrophobicContact CD1-CB 4.43Å; L187-M189 HydrophobicContact CD1-CG 4.46Å; L187-M189 HydrophobicContact CD1-SD 4.18Å; L187-M189 HydrophobicContact CD2-CE 4.05Å; L187-M189 HydrophobicContact CD2-SD 3.83Å; L187-M189 HydrophobicContact CG-CG 4.34Å; L187-M189 HydrophobicContact CG-SD 4.14Å; M189-I191 HydrophobicContact CE-CD1 4.46Å; M189-T196 PolarHBondContact N-O 2.95Å; M189-T196 PolarHBondContact O-N 2.81Å; M189-I198 HydrophobicContact CE-CD1 3.84Å
190	P	96.1	Very high	96.6	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.6	170.2	30.4	-32.4	0	0	0	110.6	C165 A167 V169 Q194 V214 F216	C165-P190 WeakPolarHBondContact O-CD 3.25Å; A167-P190 VanDerWaalsContact O-CG 3.23Å; A167-P190 WeakPolarHBondContact O-CG 3.46Å; V169-P190 PolarHBondContact N-O 3.44Å; P190-Q194 CarbonylContact C-O 3.53Å; P190-Q194 VanDerWaalsContact CA-O 3.28Å; P190-Q194 WeakPolarHBondContact CA-O 3.49Å; P190-V214 HydrophobicContact CB-CG2 3.89Å; P190-F216 HydrophobicContact CB-CB 4.34Å; P190-F216 HydrophobicContact CB-CD2 3.43Å; P190-F216 VanDerWaalsContact CB-CD2 3.43Å; P190-F216 HydrophobicContact CB-CE2 3.83Å; P190-F216 HydrophobicContact CB-CG 4.03Å; P190-F216 HydrophobicContact CG-CB 4.04Å; P190-F216 HydrophobicContact CG-CD1 4.22Å; P190-F216 HydrophobicContact CG-CD2 3.57Å; P190-F216 HydrophobicContact CG-CE2 3.94Å; P190-F216 HydrophobicContact CG-CG 3.7Å; P190-F216 HydrophobicContact CG-CZ 4.42Å
191	I	94.3	Very high	96.7	Very high	17 Å²	17	33.3 Å²	33.3	9%	0.087	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.8	174.5	-172.9	163.7	0	0	0	108.7	E174 M189 D193 Q194	E174-I191 HydrophobicContact CB-CD1 4.06Å; E174-I191 HydrophobicContact CG-CD1 4.09Å; E174-I191 WeakPolarHBondContact OE2-CD1 3.29Å; M189-I191 HydrophobicContact CE-CD1 4.46Å; I191-D193 VanDerWaalsContact C-N 3.27Å; I191-D193 PolarHBondContact O-N 2.84Å; I191-Q194 PolarHBondContact N-O 2.83Å; I191-Q194 PolarHBondContact O-N 2.79Å; I191-Q194 VanDerWaalsContact O-O 3.12Å
192	E	89.8	Confident	96.6	Very high	126 Å²	126	34 Å²	34	59%	0.589	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	46.5	-178.9	-62.7	175.9	179.3	0	0	112.7	K171 Q194	K171-E192 WeakPolarHBondContact CD-OE1 3.47Å; K171-E192 IonicContact NZ-OE1 3.96Å; K171-E192 PolarHBondContact NZ-OE1 2.87Å; K171-E192 IonicContact NZ-OE2 2.79Å; E192-Q194 PolarHBondContact O-N 3.29Å; E192-Q194 VanDerWaalsContact O-N 3.14Å
193	D	90.9	Very high	96.4	Very high	109 Å²	109	38.2 Å²	38.2	58%	0.583	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	20.1	-177.8	-58.8	-40.2	0	0	0	115.3	I191 A213 V214	I191-D193 VanDerWaalsContact C-N 3.27Å; I191-D193 PolarHBondContact O-N 2.84Å; D193-A213 WeakPolarHBondContact O-CA 3.49Å; D193-V214 CarbonylContact C-O 3.59Å; D193-V214 WeakPolarHBondContact CA-O 3.45Å; D193-V214 WeakPolarHBondContact CB-O 3.37Å; D193-V214 PolarHBondContact O-N 3.24Å; D193-V214 VanDerWaalsContact O-O 3.06Å
194	Q	94.8	Very high	96.1	Very high	63 Å²	63	41.2 Å²	41.2	29%	0.294	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.2	173.3	-62	-61.2	-55.1	0	0	110.6	P190 I191 E192 T196	P190-Q194 CarbonylContact C-O 3.53Å; P190-Q194 VanDerWaalsContact CA-O 3.28Å; P190-Q194 WeakPolarHBondContact CA-O 3.49Å; I191-Q194 PolarHBondContact N-O 2.83Å; I191-Q194 PolarHBondContact O-N 2.79Å; I191-Q194 VanDerWaalsContact O-O 3.12Å; E192-Q194 PolarHBondContact O-N 3.29Å; E192-Q194 VanDerWaalsContact O-N 3.14Å; Q194-T196 PolarHBondContact O-N 3.42Å; Q194-T196 PolarHBondContact O-OG1 2.86Å
195	L	96.6	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	114	169.8	-171.4	71	0	0	0	107.8	V72 V188 I211 L212 V214 F216	V72-L195 HydrophobicContact CG2-CD1 4.39Å; V72-L195 HydrophobicContact CG2-CD2 3.96Å; V188-L195 HydrophobicContact CG1-CD1 3.95Å; V188-L195 HydrophobicContact CG1-CD2 4.43Å; V188-L195 HydrophobicContact CG1-CG 4.1Å; L195-I211 HydrophobicContact CD2-CD1 4.15Å; L195-I211 HydrophobicContact CG-CD1 4.18Å; L195-I211 WeakPolarHBondContact O-CB 3.35Å; L195-I211 WeakPolarHBondContact O-CG1 3.43Å; L195-I211 PolarHBondContact O-N 2.67Å; L195-L212 HydrophobicContact CB-CD2 4.42Å; L195-L212 HydrophobicContact CB-CG 4.34Å; L195-L212 HydrophobicContact CD2-CD2 3.81Å; L195-L212 PolarHBondContact N-O 3.45Å; L195-V214 HydrophobicContact CB-CG1 3.78Å; L195-V214 HydrophobicContact CB-CG2 3.93Å; L195-V214 VanDerWaalsContact N-CG2 3.32Å; L195-F216 HydrophobicContact CD1-CE2 4.37Å
196	T	97.6	Very high	96	Very high	6 Å²	6	46 Å²	46	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133	-170.5	-58.8	0	0	0	0	110.4	V188 M189 Q194 I198 N210	V188-T196 WeakPolarHBondContact CA-O 3.35Å; M189-T196 PolarHBondContact N-O 2.95Å; M189-T196 PolarHBondContact O-N 2.81Å; Q194-T196 PolarHBondContact O-N 3.42Å; Q194-T196 PolarHBondContact O-OG1 2.86Å; T196-I198 HydrophobicContact CG2-CG1 4.02Å; T196-N210 PolarHBondContact OG1-OD1 3.49Å
197	Q	98.3	Very high	95.9	Very high	30 Å²	30	51.3 Å²	51.3	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.1	167	-179.1	-175.1	69.1	0	0	108.9	A75 I186 L187 S208 K209 I211	A75-Q197 PolarHBondContact O-NE2 3.34Å; I186-Q197 HydrophobicContact CG2-CG 3.71Å; L187-Q197 CarbonylContact O-C 3.52Å; L187-Q197 WeakPolarHBondContact O-CA 3.38Å; Q197-S208 CarbonylContact O-C 3.6Å; Q197-S208 VanDerWaalsContact O-CA 3.31Å; Q197-S208 WeakPolarHBondContact O-CA 3.42Å; Q197-K209 PolarHBondContact N-O 2.86Å; Q197-K209 PolarHBondContact O-N 2.73Å; Q197-I211 HydrophobicContact CB-CD1 4.12Å; Q197-I211 HydrophobicContact CB-CG1 4.28Å
198	I	98.2	Very high	95.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.6	175.9	-55.6	-177.7	0	0	0	108.3	I186 L187 M189 T196 W206 E207	I186-I198 WeakPolarHBondContact CA-O 3.23Å; L187-I198 HydrophobicContact CB-CB 4.31Å; L187-I198 HydrophobicContact CD2-CD1 4.38Å; L187-I198 PolarHBondContact N-O 3.14Å; L187-I198 PolarHBondContact O-N 2.81Å; M189-I198 HydrophobicContact CE-CD1 3.84Å; T196-I198 HydrophobicContact CG2-CG1 4.02Å; I198-W206 HydrophobicContact CG2-CB 4.35Å; I198-W206 HydrophobicContact CG2-CE3 3.75Å; I198-E207 CarbonylContact C-O 3.49Å; I198-E207 WeakPolarHBondContact CA-O 3.11Å
199	L	98.3	Very high	95.8	Very high	54 Å²	54	61.2 Å²	61.2	28%	0.283	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.1	173.7	174	66.9	0	0	0	109.4	G185 I186 T201 W206 E207	G185-L199 WeakPolarHBondContact O-CD1 3.35Å; I186-L199 HydrophobicContact CG1-CD1 3.96Å; L199-T201 HydrophobicContact CD2-CG2 3.94Å; L199-T201 HydrophobicContact CG-CG2 4.01Å; L199-T201 PolarHBondContact O-N 3.13Å; L199-W206 CarbonylContact O-C 3.58Å; L199-W206 WeakPolarHBondContact O-CA 3.23Å; L199-E207 HydrophobicContact CB-CB 4.37Å; L199-E207 PolarHBondContact N-O 3.23Å; L199-E207 PolarHBondContact O-N 3.39Å
200	R	98.1	Very high	95.7	Very high	29 Å²	29	66.1 Å²	66.1	11%	0.109	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	104.2	170.9	-168.6	174.1	-170.7	171.1	1.6	109.5	L181 K182 V183 G184 G185 G202 Q203 W206	L181-R200 HydrophobicContact CD2-CB 4.06Å; L181-R200 WeakPolarHBondContact O-CD 3.31Å; L181-R200 PolarHBondContact O-NH1 3.03Å; K182-R200 WeakPolarHBondContact O-CB 3.28Å; K182-R200 WeakPolarHBondContact O-CD 3.33Å; V183-R200 HydrophobicContact CG2-CG 4.44Å; G184-R200 WeakPolarHBondContact CA-O 3.42Å; G184-R200 PolarHBondContact N-O 2.71Å; G185-R200 PolarHBondContact O-N 3.24Å; R200-G202 WeakPolarHBondContact CG-O 3.36Å; R200-G202 PolarHBondContact NE-O 2.88Å; R200-Q203 PolarHBondContact NE-O 2.97Å; R200-Q203 PolarHBondContact NH2-O 3.2Å; R200-W206 HydrophobicContact CB-CE3 3.68Å; R200-W206 HydrophobicContact CB-CH2 3.93Å; R200-W206 HydrophobicContact CB-CZ3 3.37Å; R200-W206 HydrophobicContact CG-CD2 4.31Å; R200-W206 HydrophobicContact CG-CE3 3.85Å; R200-W206 HydrophobicContact CG-CH2 3.5Å; R200-W206 HydrophobicContact CG-CZ2 3.97Å; R200-W206 HydrophobicContact CG-CZ3 3.47Å; R200-W206 VanDerWaalsContact CG-CZ3 3.47Å
201	T	97.1	Very high	95.7	Very high	60 Å²	60	68.1 Å²	68.1	37%	0.368	35%	0.348	S	S	.	.			trans	-85.5	-19.2	-177.9	55.1	0	0	0	0	113.3	L199 T205 E207	L199-T201 HydrophobicContact CD2-CG2 3.94Å; L199-T201 HydrophobicContact CG-CG2 4.01Å; L199-T201 PolarHBondContact O-N 3.13Å; T201-T205 PolarHBondContact N-O 3.18Å; T201-T205 WeakPolarHBondContact OG1-CB 3.11Å; T201-T205 PolarHBondContact OG1-O 3.05Å; T201-T205 PolarHBondContact OG1-OG1 2.72Å; T201-E207 HydrophobicContact CG2-CB 4.38Å; T201-E207 HydrophobicContact CG2-CG 3.75Å
202	G	95.3	Very high	95.6	Very high	15 Å²	15	69.3 Å²	69.3	16%	0.155	36%	0.355	C	S	.	.	S	Bend	trans	-162	-168.5	-178.4	0	0	0	0	0	111.9	R200 N204 T205	R200-G202 WeakPolarHBondContact CG-O 3.36Å; R200-G202 PolarHBondContact NE-O 2.88Å; G202-N204 VanDerWaalsContact C-N 3.33Å; G202-N204 PolarHBondContact O-N 2.76Å; G202-T205 VanDerWaalsContact CA-OG1 3.26Å; G202-T205 WeakPolarHBondContact CA-OG1 3.34Å; G202-T205 PolarHBondContact N-O 3.35Å; G202-T205 PolarHBondContact N-OG1 3.47Å
203	Q	91.6	Very high	95.8	Very high	156 Å²	156	66.7 Å²	66.7	73%	0.729	35%	0.354	S	S	*	.	S	Bend	trans	-60.2	-43.4	-178.1	-72.9	-179.3	-12.3	0	0	112	R200	R200-Q203 PolarHBondContact NE-O 2.97Å; R200-Q203 PolarHBondContact NH2-O 3.2Å
204	N	92.6	Very high	95.8	Very high	143 Å²	143	62 Å²	62	77%	0.765	33%	0.33	S	S	*	.	S	Bend	trans	-127	15.6	-178.4	-64	-20.8	0	0	0	113	G202	G202-N204 VanDerWaalsContact C-N 3.33Å; G202-N204 PolarHBondContact O-N 2.76Å
205	T	96.3	Very high	95.6	Very high	74 Å²	74	63.1 Å²	63.1	45%	0.454	35%	0.345	S	S	.	.			trans	-115.4	137.7	-176.7	58.7	0	0	0	0	111.1	T201 G202	T201-T205 PolarHBondContact N-O 3.18Å; T201-T205 WeakPolarHBondContact OG1-CB 3.11Å; T201-T205 PolarHBondContact OG1-O 3.05Å; T201-T205 PolarHBondContact OG1-OG1 2.72Å; G202-T205 VanDerWaalsContact CA-OG1 3.26Å; G202-T205 WeakPolarHBondContact CA-OG1 3.34Å; G202-T205 PolarHBondContact N-O 3.35Å; G202-T205 PolarHBondContact N-OG1 3.47Å
206	W	97.3	Very high	95.3	Very high	70 Å²	70	64.3 Å²	64.3	27%	0.265	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.6	-171.1	-51.7	88.6	0	0	0	109.9	K178 L181 I198 L199 R200	K178-W206 HydrophobicContact CB-CE3 4.46Å; K178-W206 HydrophobicContact CB-CH2 3.49Å; K178-W206 VanDerWaalsContact CB-CH2 3.49Å; K178-W206 HydrophobicContact CB-CZ2 3.77Å; K178-W206 HydrophobicContact CB-CZ3 3.83Å; K178-W206 HydrophobicContact CD-CD2 3.89Å; K178-W206 HydrophobicContact CD-CE3 4.09Å; K178-W206 HydrophobicContact CD-CG 4.35Å; K178-W206 HydrophobicContact CD-CH2 4.4Å; K178-W206 HydrophobicContact CD-CZ2 4.23Å; K178-W206 HydrophobicContact CD-CZ3 4.3Å; K178-W206 HydrophobicContact CG-CD2 4.26Å; K178-W206 HydrophobicContact CG-CE3 3.97Å; K178-W206 HydrophobicContact CG-CH2 3.92Å; K178-W206 HydrophobicContact CG-CZ2 4.22Å; K178-W206 HydrophobicContact CG-CZ3 3.75Å; K178-W206 WeakPolarHBondContact O-CH2 3.48Å; L181-W206 HydrophobicContact CB-CZ3 4.45Å; L181-W206 HydrophobicContact CD2-CZ3 4.01Å; I198-W206 HydrophobicContact CG2-CB 4.35Å; I198-W206 HydrophobicContact CG2-CE3 3.75Å; L199-W206 CarbonylContact O-C 3.58Å; L199-W206 WeakPolarHBondContact O-CA 3.23Å; R200-W206 HydrophobicContact CB-CE3 3.68Å; R200-W206 HydrophobicContact CB-CH2 3.93Å; R200-W206 HydrophobicContact CB-CZ3 3.37Å; R200-W206 HydrophobicContact CG-CD2 4.31Å; R200-W206 HydrophobicContact CG-CE3 3.85Å; R200-W206 HydrophobicContact CG-CH2 3.5Å; R200-W206 HydrophobicContact CG-CZ2 3.97Å; R200-W206 HydrophobicContact CG-CZ3 3.47Å; R200-W206 VanDerWaalsContact CG-CZ3 3.47Å
207	E	97.4	Very high	94.9	Very high	121 Å²	121	67.4 Å²	67.4	57%	0.565	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	129	169.5	-70	177.5	-175.6	0	0	108.7	I198 L199 T201	I198-E207 CarbonylContact C-O 3.49Å; I198-E207 WeakPolarHBondContact CA-O 3.11Å; L199-E207 HydrophobicContact CB-CB 4.37Å; L199-E207 PolarHBondContact N-O 3.23Å; L199-E207 PolarHBondContact O-N 3.39Å; T201-E207 HydrophobicContact CG2-CB 4.38Å; T201-E207 HydrophobicContact CG2-CG 3.75Å
208	S	96.6	Very high	94.5	Very high	75 Å²	75	70.3 Å²	70.3	52%	0.524	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.5	-179.6	-60.5	0	0	0	0	110.6	Q197	Q197-S208 CarbonylContact O-C 3.6Å; Q197-S208 VanDerWaalsContact O-CA 3.31Å; Q197-S208 WeakPolarHBondContact O-CA 3.42Å
209	K	96.9	Very high	94.2	Very high	134 Å²	134	71.2 Å²	71.2	58%	0.583	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.3	176.8	179.5	-178	175.9	-174.6	0	109.8	Q197	Q197-K209 PolarHBondContact N-O 2.86Å; Q197-K209 PolarHBondContact O-N 2.73Å
210	N	96.6	Very high	93.8	Very high	102 Å²	102	72.7 Å²	72.7	55%	0.545	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	132.7	172	-62.9	-11.5	0	0	0	109.3	T196	T196-N210 PolarHBondContact OG1-OD1 3.49Å
211	I	94.4	Very high	93.3	Very high	45 Å²	45	75.6 Å²	75.6	23%	0.231	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-59.2	-179.3	-49.8	171.8	0	0	0	109.4	E71 A75 V188 L195 Q197	E71-I211 HydrophobicContact CB-CG2 4.33Å; E71-I211 WeakPolarHBondContact OE2-CG2 3.42Å; A75-I211 HydrophobicContact CB-CD1 3.49Å; A75-I211 VanDerWaalsContact CB-CD1 3.49Å; V188-I211 HydrophobicContact CG1-CD1 4.23Å; L195-I211 HydrophobicContact CD2-CD1 4.15Å; L195-I211 HydrophobicContact CG-CD1 4.18Å; L195-I211 WeakPolarHBondContact O-CB 3.35Å; L195-I211 WeakPolarHBondContact O-CG1 3.43Å; L195-I211 PolarHBondContact O-N 2.67Å; Q197-I211 HydrophobicContact CB-CD1 4.12Å; Q197-I211 HydrophobicContact CB-CG1 4.28Å
212	L	93.4	Very high	92.6	Very high	43 Å²	43	74.4 Å²	74.4	23%	0.225	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	161.1	178.1	66.6	134.8	0	0	0	112.5	I68 E71 L195 V214	I68-L212 HydrophobicContact CD1-CD1 3.71Å; E71-L212 HydrophobicContact CB-CD2 3.86Å; E71-L212 HydrophobicContact CG-CD2 3.83Å; L195-L212 HydrophobicContact CB-CD2 4.42Å; L195-L212 HydrophobicContact CB-CG 4.34Å; L195-L212 HydrophobicContact CD2-CD2 3.81Å; L195-L212 PolarHBondContact N-O 3.45Å; L212-V214 HydrophobicContact CD1-CG1 3.6Å; L212-V214 HydrophobicContact CG-CG1 3.83Å
213	A	92.7	Very high	91.5	Very high	70 Å²	70	80.8 Å²	80.8	58%	0.579	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.6	172.2	0	0	0	0	0	111	D193	D193-A213 WeakPolarHBondContact O-CA 3.49Å
214	V	91.8	Very high	90	Very high	11 Å²	11	84 Å²	84	7%	0.067	46%	0.457	C	S	.	.			trans	-143.8	158.9	-171.2	-68.4	0	0	0	0	111.9	M1 I68 P190 D193 L195 L212 F216	M1-V214 HydrophobicContact CE-CB 3.99Å; M1-V214 HydrophobicContact CE-CG1 4.23Å; M1-V214 WeakPolarHBondContact SD-CA 3.14Å; M1-V214 HydrophobicContact SD-CB 3.28Å; M1-V214 WeakPolarHBondContact SD-CB 3.15Å; M1-V214 HydrophobicContact SD-CG1 3.5Å; M1-V214 WeakPolarHBondContact SD-CG1 3.43Å; I68-V214 HydrophobicContact CD1-CG1 3.97Å; P190-V214 HydrophobicContact CB-CG2 3.89Å; D193-V214 CarbonylContact C-O 3.59Å; D193-V214 WeakPolarHBondContact CA-O 3.45Å; D193-V214 WeakPolarHBondContact CB-O 3.37Å; D193-V214 PolarHBondContact O-N 3.24Å; D193-V214 VanDerWaalsContact O-O 3.06Å; L195-V214 HydrophobicContact CB-CG1 3.78Å; L195-V214 HydrophobicContact CB-CG2 3.93Å; L195-V214 VanDerWaalsContact N-CG2 3.32Å; L212-V214 HydrophobicContact CD1-CG1 3.6Å; L212-V214 HydrophobicContact CG-CG1 3.83Å; V214-F216 HydrophobicContact CB-CD2 3.87Å; V214-F216 HydrophobicContact CB-CE2 3.75Å; V214-F216 HydrophobicContact CG1-CE2 4.13Å; V214-F216 HydrophobicContact CG2-CD2 3.78Å; V214-F216 HydrophobicContact CG2-CE2 3.82Å
215	S	89.9	Confident	88.1	Confident	87 Å²	87	84.4 Å²	84.4	61%	0.608	46%	0.46	S	S	*	.			trans	-128.9	113.2	171.3	-179.8	0	0	0	0	109	M1	M1-S215 WeakPolarHBondContact CE-O 3.33Å; M1-S215 WeakPolarHBondContact CG-O 3.39Å; M1-S215 PolarHBondContact SD-N 2.88Å
216	F	90	Very high	85.8	Confident	25 Å²	25	87.5 Å²	87.5	11%	0.11	47%	0.473	C	S	.	.			trans	-118.7	152.2	178	-80.1	-96.8	0	0	0	110.3	M1 I68 G166 P190 L195 V214	M1-F216 HydrophobicContact CE-CD1 4.25Å; M1-F216 HydrophobicContact CE-CD2 3.44Å; M1-F216 VanDerWaalsContact CE-CD2 3.44Å; M1-F216 HydrophobicContact CE-CE1 3.97Å; M1-F216 HydrophobicContact CE-CE2 3.11Å; M1-F216 HydrophobicContact CE-CG 4.02Å; M1-F216 HydrophobicContact CE-CZ 3.42Å; M1-F216 VanDerWaalsContact CE-CZ 3.42Å; M1-F216 HydrophobicContact SD-CD2 4.44Å; M1-F216 HydrophobicContact SD-CE2 4.24Å; I68-F216 HydrophobicContact CG2-CE2 4.44Å; I68-F216 HydrophobicContact CG2-CZ 3.77Å; G166-F216 VanDerWaalsContact O-CD1 3.24Å; G166-F216 WeakPolarHBondContact O-CD1 3.38Å; P190-F216 HydrophobicContact CB-CB 4.34Å; P190-F216 HydrophobicContact CB-CD2 3.43Å; P190-F216 VanDerWaalsContact CB-CD2 3.43Å; P190-F216 HydrophobicContact CB-CE2 3.83Å; P190-F216 HydrophobicContact CB-CG 4.03Å; P190-F216 HydrophobicContact CG-CB 4.04Å; P190-F216 HydrophobicContact CG-CD1 4.22Å; P190-F216 HydrophobicContact CG-CD2 3.57Å; P190-F216 HydrophobicContact CG-CE2 3.94Å; P190-F216 HydrophobicContact CG-CG 3.7Å; P190-F216 HydrophobicContact CG-CZ 4.42Å; L195-F216 HydrophobicContact CD1-CE2 4.37Å; V214-F216 HydrophobicContact CB-CD2 3.87Å; V214-F216 HydrophobicContact CB-CE2 3.75Å; V214-F216 HydrophobicContact CG1-CE2 4.13Å; V214-F216 HydrophobicContact CG2-CD2 3.78Å; V214-F216 HydrophobicContact CG2-CE2 3.82Å
217	A	89.8	Confident	83.4	Confident	71 Å²	71	92.6 Å²	92.6	59%	0.587	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-62.5	137.1	165.8	0	0	0	0	0	109.2	A167 G168	A167-A217 CarbonylContact C-O 3.56Å; A167-A217 WeakPolarHBondContact CA-O 3.38Å; G168-A217 PolarHBondContact N-O 3.02Å
218	P	90.4	Very high	81.2	Confident	90 Å²	90	89 Å²	89	58%	0.584	50%	0.502	S	S	*	.	B	Isolated β-bridge	trans	-66.6	150.4	-179.7	28.6	-34.9	0	0	0	111.1	V220	P218-V220 PolarHBondContact O-N 2.89Å
219	L	90.8	Very high	79	Confident	20 Å²	20	94.9 Å²	94.9	11%	0.105	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-57.9	133.3	169.7	-84	171.6	0	0	0	110.8	C150 L151 A167 G168 V169 M177 Q221	C150-L219 HydrophobicContact CB-CD2 4.49Å; L151-L219 HydrophobicContact CD2-CD1 4.44Å; A167-L219 HydrophobicContact CB-CD2 3.69Å; A167-L219 HydrophobicContact CB-CG 3.82Å; G168-L219 PolarHBondContact O-N 3.05Å; V169-L219 HydrophobicContact CB-CD1 4.36Å; V169-L219 HydrophobicContact CG1-CD1 4.37Å; V169-L219 HydrophobicContact CG2-CD1 3.81Å; M177-L219 HydrophobicContact CE-CD1 3.53Å; L219-Q221 PolarHBondContact O-N 3.38Å
220	V	90.5	Very high	77	Confident	85 Å²	85	94.3 Å²	94.3	52%	0.515	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-73.3	122.6	175.8	-178.5	0	0	0	0	109	L113 N149 P218	L113-V220 HydrophobicContact CD2-CB 3.75Å; L113-V220 HydrophobicContact CD2-CG1 4.04Å; L113-V220 HydrophobicContact CD2-CG2 3.7Å; N149-V220 PolarHBondContact ND2-O 3.19Å; P218-V220 PolarHBondContact O-N 2.89Å
221	Q	87.8	Confident	75.5	Confident	91 Å²	91	96.3 Å²	96.3	43%	0.425	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-75.4	143.8	176.3	-63.9	-168.2	6	0	0	110.9	L219	L219-Q221 PolarHBondContact O-N 3.38Å
222	P	82.9	Confident	75.1	Confident	34 Å²	34	98.2 Å²	98.2	22%	0.221	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-60.5	140.8	171.9	-20.4	31.3	0	0	0	111.7	L151 E152 R224	L151-P222 HydrophobicContact CB-CG 4.16Å; E152-P222 HydrophobicContact CG-CB 4.14Å; E152-P222 HydrophobicContact CG-CG 3.61Å; E152-P222 WeakPolarHBondContact OE1-CB 3.48Å; P222-R224 PolarHBondContact O-N 3.42Å
223	N	72	Confident	74.9	Confident	150 Å²	150	96.7 Å²	96.7	80%	0.802	53%	0.534	S	S	*	.			trans	-72.9	114.7	174.4	-85.1	-23.8	0	0	0	109.9	N225	N223-N225 PolarHBondContact O-N 2.86Å; N223-N225 VanDerWaalsContact O-N 3.15Å
224	R	60.3	Low	74.8	Confident	222 Å²	222	95.7 Å²	95.7	84%	0.838	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	5.5	-179.6	-66.7	-177.4	175.3	179.4	-0.8	115.1	P222	P222-R224 PolarHBondContact O-N 3.42Å
225	N	52.2	Low	74.8	Confident	153 Å²	153	96.3 Å²	96.3	82%	0.818	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-3.9	-168.2	-81.8	-1.9	0	0	0	115.4	N223	N223-N225 PolarHBondContact O-N 2.86Å; N223-N225 VanDerWaalsContact O-N 3.15Å
226	D	47.3	Very low	74.8	Confident	138 Å²	138	94.1 Å²	94.1	74%	0.738	52%	0.517	S	S	*	.			trans	-97.4	110.7	173.4	-91.5	-34.7	0	0	0	110.5	G228	D226-G228 PolarHBondContact O-N 3.35Å
227	N	48	Very low	74.6	Confident	177 Å²	177	98.2 Å²	98.2	95%	0.947	55%	0.546	S	S	*	.			trans	-67.3	23.3	166.4	-72.6	-37.8	0	0	0	112.6
228	G	50.1	Low	74.2	Confident	47 Å²	47	98 Å²	98	49%	0.485	54%	0.539	S	S	.	.	S	Bend	trans	-85.6	158.6	170.6	0	0	0	0	0	110.2	D226 H230	D226-G228 PolarHBondContact O-N 3.35Å; G228-H230 PolarHBondContact O-N 3.28Å; G228-H230 VanDerWaalsContact O-N 3.15Å
229	K	50.6	Low	73.6	Confident	198 Å²	198	97.7 Å²	97.7	86%	0.861	55%	0.545	S	S	*	.			trans	-52.1	124.9	169.2	-71.6	174.4	176.4	178	0	107.9	D231	K229-D231 PolarHBondContact O-N 3.28Å
230	H	55.2	Low	73.1	Confident	121 Å²	121	103.4 Å²	103.4	56%	0.56	58%	0.58	S	S	*	*			trans	-57.2	110.7	168	-73	-87.4	0	0	0	107	E152 G228 T232	E152-H230 IonicContact OE1-CE1 3.75Å; E152-H230 IonicContact OE1-ND1 2.75Å; E152-H230 PolarHBondContact OE1-ND1 3.42Å; G228-H230 PolarHBondContact O-N 3.28Å; G228-H230 VanDerWaalsContact O-N 3.15Å; H230-T232 PolarHBondContact O-N 2.92Å
231	D	66.1	Low	73	Confident	144 Å²	144	102.8 Å²	102.8	77%	0.77	57%	0.568	S	S	*	*			trans	-69.6	90.6	173	-83.5	-20.8	0	0	0	107	K229 V233	K229-D231 PolarHBondContact O-N 3.28Å; D231-V233 PolarHBondContact O-N 3.3Å
232	T	85.4	Confident	73.3	Confident	85 Å²	85	103 Å²	103	52%	0.521	57%	0.572	S	S	.	*			trans	-60.1	135.7	176.5	51.9	0	0	0	0	109.6	E152 H230 G234	E152-T232 CarbonylContact O-C 3.55Å; E152-T232 WeakPolarHBondContact O-CA 3.43Å; H230-T232 PolarHBondContact O-N 2.92Å; T232-G234 PolarHBondContact O-N 3.3Å; T232-G234 VanDerWaalsContact O-N 3.07Å
233	V	89.5	Confident	73.8	Confident	11 Å²	11	108.2 Å²	108.2	7%	0.067	60%	0.597	C	S	.	*	B	Isolated β-bridge	trans	-71.1	106.2	177.6	-174.6	0	0	0	0	108.9	I111 V146 N149 E152 A154 D231	I111-V233 HydrophobicContact CD1-CG1 4.26Å; I111-V233 HydrophobicContact CG2-CG1 4.39Å; V146-V233 HydrophobicContact CG1-CG1 3.71Å; N149-V233 WeakPolarHBondContact O-CG2 3.48Å; E152-V233 PolarHBondContact O-N 3.43Å; A154-V233 PolarHBondContact N-O 3.44Å; D231-V233 PolarHBondContact O-N 3.3Å
234	G	90.1	Very high	74.9	Confident	49 Å²	49	106.6 Å²	106.6	51%	0.505	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-79.9	119.6	173.7	0	0	0	0	0	110.9	T232	T232-G234 PolarHBondContact O-N 3.3Å; T232-G234 VanDerWaalsContact O-N 3.07Å
235	L	90.9	Very high	76.4	Confident	25 Å²	25	96.8 Å²	96.8	13%	0.131	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-83.6	148.8	173.2	-70.8	173.8	0	0	0	110.7	L85 H109 I111 V146 I153 Y160	L85-L235 HydrophobicContact CD1-CD1 3.99Å; H109-L235 HydrophobicContact CB-CD2 4.24Å; I111-L235 HydrophobicContact CD1-CD1 4.29Å; I111-L235 HydrophobicContact CD1-CD2 3.88Å; I111-L235 HydrophobicContact CD1-CG 4.39Å; I111-L235 HydrophobicContact CG1-CD2 3.73Å; V146-L235 HydrophobicContact CG2-CD2 4.27Å; I153-L235 HydrophobicContact CG2-CD1 4.05Å; Y160-L235 HydrophobicContact CE2-CD1 4.16Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.42Å
236	P	90.4	Very high	78.5	Confident	41 Å²	41	92.2 Å²	92.2	27%	0.266	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-57.6	143.1	179.2	-23.7	35.3	0	0	0	111	H109 A144 V146	H109-P236 PolarHBondContact CE1-O 3.45Å; A144-P236 HydrophobicContact CB-CG 3.85Å; V146-P236 HydrophobicContact CG2-CG 4.13Å
237	P	85.9	Confident	80.7	Confident	111 Å²	111	87.7 Å²	87.7	72%	0.721	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-66.8	147.3	178.1	28.1	-34.3	0	0	0	110.7	A239	P237-A239 PolarHBondContact O-N 2.79Å
238	C	82.6	Confident	83	Confident	65 Å²	65	80.9 Å²	80.9	44%	0.439	47%	0.468	S	S	.	.			trans	-68.4	81.2	170.7	-59.3	0	0	0	0	110.2	I107 H158	I107-C238 HydrophobicContact CD1-CB 4.13Å; I107-C238 WeakPolarHBondContact CD1-SG 3.26Å; H158-C238 PolarHBondContact CD2-SG 3.48Å; H158-C238 PolarHBondContact NE2-SG 2.86Å
239	A	76.3	Confident	85.1	Confident	85 Å²	85	79.2 Å²	79.2	70%	0.702	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-78.7	138.6	-178.9	0	0	0	0	0	111.4	P237	P237-A239 PolarHBondContact O-N 2.79Å
240	V	81.9	Confident	87.2	Confident	139 Å²	139	77.1 Å²	77.1	84%	0.842	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-74.1	130	168.7	-175.1	0	0	0	0	108.2
241	R	88.4	Confident	89.2	Confident	73 Å²	73	74.3 Å²	74.3	28%	0.275	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-60.2	142.6	176.1	-68.6	-177.2	-178.5	-99.1	-0.6	110.5	P104 D245 L246	P104-R241 PolarHBondContact O-NE 2.95Å; P104-R241 PolarHBondContact O-NH2 3.2Å; P104-R241 VanDerWaalsContact O-NH2 3.09Å; R241-D245 WeakPolarHBondContact CD-OD2 3.38Å; R241-D245 IonicContact CZ-OD2 3.15Å; R241-D245 IonicContact NE-OD2 3.13Å; R241-D245 IonicContact NH1-OD2 2.94Å; R241-D245 PolarHBondContact NH1-OD2 2.95Å; R241-L246 HydrophobicContact CB-CD2 3.99Å; R241-L246 HydrophobicContact CB-CG 4.04Å
242	N	92.6	Very high	90.6	Very high	95 Å²	95	67.8 Å²	67.8	51%	0.508	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-68.1	159.8	175.2	68.5	52.8	0	0	0	111.2	Q244 D245 L246	N242-Q244 PolarHBondContact O-N 2.87Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.44Å; N242-Q244 VanDerWaalsContact OD1-CB 3.28Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.29Å; N242-Q244 PolarHBondContact OD1-N 3.33Å; N242-Q244 VanDerWaalsContact OD1-N 3.1Å; N242-D245 PolarHBondContact O-N 2.97Å; N242-D245 WeakPolarHBondContact OD1-CB 3.43Å; N242-D245 PolarHBondContact OD1-N 2.94Å; N242-L246 WeakPolarHBondContact O-CG 3.49Å; N242-L246 PolarHBondContact O-N 3.14Å
243	L	94.5	Very high	91	Very high	143 Å²	143	67.4 Å²	67.4	75%	0.749	38%	0.377	S	S	*	.	H	α-helix	trans	-60.1	-33.8	-178.4	-177.7	61.5	0	0	0	112.8	L246 A247	L243-L246 PolarHBondContact O-N 3.22Å; L243-A247 WeakPolarHBondContact O-CB 3.25Å; L243-A247 PolarHBondContact O-N 3.49Å
244	Q	94.4	Very high	91.3	Very high	116 Å²	116	69.1 Å²	69.1	54%	0.542	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-45.5	179.2	-164.6	-168.6	-22.6	0	0	110.8	N242 A247 R248 Y351	N242-Q244 PolarHBondContact O-N 2.87Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.44Å; N242-Q244 VanDerWaalsContact OD1-CB 3.28Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.29Å; N242-Q244 PolarHBondContact OD1-N 3.33Å; N242-Q244 VanDerWaalsContact OD1-N 3.1Å; Q244-A247 WeakPolarHBondContact O-CB 3.29Å; Q244-A247 PolarHBondContact O-N 3Å; Q244-R248 PolarHBondContact O-N 3.44Å; Q244-Y351 HydrophobicContact CG-CE1 3.96Å; Q244-Y351 HydrophobicContact CG-CE2 4.48Å; Q244-Y351 WeakPolarHBondContact CG-OH 3.28Å; Q244-Y351 PolarHBondContact O-OH 2.9Å
245	D	92.8	Very high	91.5	Very high	16 Å²	16	67.6 Å²	67.6	9%	0.086	37%	0.368	C	S	.	.	H	α-helix	trans	-69.7	-41	179.4	-166.4	33.9	0	0	0	111.8	R241 N242 A247 R248 I249 Y351	R241-D245 WeakPolarHBondContact CD-OD2 3.38Å; R241-D245 IonicContact CZ-OD2 3.15Å; R241-D245 IonicContact NE-OD2 3.13Å; R241-D245 IonicContact NH1-OD2 2.94Å; R241-D245 PolarHBondContact NH1-OD2 2.95Å; N242-D245 PolarHBondContact O-N 2.97Å; N242-D245 WeakPolarHBondContact OD1-CB 3.43Å; N242-D245 PolarHBondContact OD1-N 2.94Å; D245-A247 VanDerWaalsContact C-N 3.29Å; D245-A247 PolarHBondContact O-N 3.33Å; D245-R248 WeakPolarHBondContact O-CB 3.5Å; D245-R248 PolarHBondContact O-N 3.02Å; D245-R248 IonicContact OD1-CZ 2.89Å; D245-R248 VanDerWaalsContact OD1-CZ 3.29Å; D245-R248 IonicContact OD1-NE 3.64Å; D245-R248 PolarHBondContact OD1-NE 2.94Å; D245-R248 VanDerWaalsContact OD1-NE 3.14Å; D245-R248 IonicContact OD1-NH2 3.26Å; D245-R248 PolarHBondContact OD1-NH2 3.34Å; D245-I249 WeakPolarHBondContact O-CD1 3.37Å; D245-I249 WeakPolarHBondContact O-CG1 3.37Å; D245-I249 PolarHBondContact O-N 3.5Å; D245-Y351 WeakPolarHBondContact CA-OH 3.41Å; D245-Y351 PolarHBondContact N-OH 3.32Å
246	L	94.4	Very high	91.6	Very high	57 Å²	57	67.8 Å²	67.8	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-41.7	171.5	-68.7	175.6	0	0	0	111.8	F105 R241 N242 L243 I249 Y250	F105-L246 HydrophobicContact CE1-CD2 3.69Å; F105-L246 HydrophobicContact CZ-CD2 4.38Å; R241-L246 HydrophobicContact CB-CD2 3.99Å; R241-L246 HydrophobicContact CB-CG 4.04Å; N242-L246 WeakPolarHBondContact O-CG 3.49Å; N242-L246 PolarHBondContact O-N 3.14Å; L243-L246 PolarHBondContact O-N 3.22Å; L246-I249 PolarHBondContact O-N 2.99Å; L246-Y250 WeakPolarHBondContact O-CB 3.36Å; L246-Y250 PolarHBondContact O-N 3.42Å
247	A	95.5	Very high	91.7	Very high	44 Å²	44	69.8 Å²	69.8	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-63.5	-43.4	175.9	0	0	0	0	0	111.5	L243 Q244 D245 I249 Y250 I251	L243-A247 WeakPolarHBondContact O-CB 3.25Å; L243-A247 PolarHBondContact O-N 3.49Å; Q244-A247 WeakPolarHBondContact O-CB 3.29Å; Q244-A247 PolarHBondContact O-N 3Å; D245-A247 VanDerWaalsContact C-N 3.29Å; D245-A247 PolarHBondContact O-N 3.33Å; A247-I249 PolarHBondContact O-N 3.2Å; A247-Y250 PolarHBondContact O-N 2.65Å; A247-I251 WeakPolarHBondContact O-CB 3.5Å; A247-I251 WeakPolarHBondContact O-CD1 3.42Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 3.05Å
248	R	95.4	Very high	92	Very high	34 Å²	34	69.6 Å²	69.6	13%	0.128	36%	0.363	C	S	.	.	H	α-helix	trans	-57.5	-48.6	174.3	177.4	169.4	60.8	167.7	3.3	112	Q244 D245 Y250 I251 R252 Y351 L352 Y354	Q244-R248 PolarHBondContact O-N 3.44Å; D245-R248 WeakPolarHBondContact O-CB 3.5Å; D245-R248 PolarHBondContact O-N 3.02Å; D245-R248 IonicContact OD1-CZ 2.89Å; D245-R248 VanDerWaalsContact OD1-CZ 3.29Å; D245-R248 IonicContact OD1-NE 3.64Å; D245-R248 PolarHBondContact OD1-NE 2.94Å; D245-R248 VanDerWaalsContact OD1-NE 3.14Å; D245-R248 IonicContact OD1-NH2 3.26Å; D245-R248 PolarHBondContact OD1-NH2 3.34Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; R248-Y250 PolarHBondContact O-N 2.94Å; R248-I251 PolarHBondContact O-N 3.43Å; R248-R252 WeakPolarHBondContact O-CB 3.48Å; R248-R252 VanDerWaalsContact O-CG 3.32Å; R248-R252 WeakPolarHBondContact O-CG 3.24Å; R248-R252 PolarHBondContact O-N 3.27Å; R248-Y351 HydrophobicContact CB-CD1 4.43Å; R248-Y351 HydrophobicContact CB-CE1 3.61Å; R248-Y351 VanDerWaalsContact CD-O 3.24Å; R248-Y351 WeakPolarHBondContact CD-O 3.48Å; R248-Y351 HydrophobicContact CG-CE1 4.18Å; R248-L352 HydrophobicContact CG-CD2 4.32Å; R248-Y354 HydrophobicContact CG-CE2 4.49Å; R248-Y354 VanDerWaalsContact NH1-CE1 3.29Å
249	I	94.4	Very high	92.3	Very high	11 Å²	11	67.2 Å²	67.2	6%	0.056	35%	0.346	C	S	.	.	H	α-helix	trans	-58.4	-49	178	-70.6	158.1	0	0	0	110	P104 D245 L246 A247 R252 R253	P104-I249 HydrophobicContact CB-CD1 3.65Å; P104-I249 HydrophobicContact CB-CG1 4.15Å; P104-I249 HydrophobicContact CB-CG2 4.09Å; P104-I249 HydrophobicContact CG-CD1 4.5Å; P104-I249 HydrophobicContact CG-CG2 3.74Å; D245-I249 WeakPolarHBondContact O-CD1 3.37Å; D245-I249 WeakPolarHBondContact O-CG1 3.37Å; D245-I249 PolarHBondContact O-N 3.5Å; L246-I249 PolarHBondContact O-N 2.99Å; A247-I249 PolarHBondContact O-N 3.2Å; I249-R252 PolarHBondContact O-N 3.01Å; I249-R253 WeakPolarHBondContact O-CB 3.32Å; I249-R253 PolarHBondContact O-N 3.42Å
250	Y	95.4	Very high	92.9	Very high	155 Å²	155	66.1 Å²	66.1	61%	0.608	33%	0.328	S	S	*	.	H	α-helix	trans	-63.8	-46	-178.1	-170	-97.1	0	0	0	112.2	L246 A247 R248 R252 R253 T254	L246-Y250 WeakPolarHBondContact O-CB 3.36Å; L246-Y250 PolarHBondContact O-N 3.42Å; A247-Y250 PolarHBondContact O-N 2.65Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; R248-Y250 PolarHBondContact O-N 2.94Å; Y250-R252 PolarHBondContact O-N 3.15Å; Y250-R253 PolarHBondContact O-N 3.13Å; Y250-T254 WeakPolarHBondContact O-CB 3.36Å; Y250-T254 PolarHBondContact O-N 3.12Å; Y250-T254 PolarHBondContact O-OG1 3.43Å; Y250-T254 VanDerWaalsContact O-OG1 3.06Å
251	I	95.4	Very high	93.2	Very high	62 Å²	62	65.3 Å²	65.3	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-49.6	177	-68.2	163.7	0	0	0	110.4	A247 R248 R253 T254 L255 L352	A247-I251 WeakPolarHBondContact O-CB 3.5Å; A247-I251 WeakPolarHBondContact O-CD1 3.42Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 3.05Å; R248-I251 PolarHBondContact O-N 3.43Å; I251-R253 VanDerWaalsContact C-N 3.34Å; I251-R253 PolarHBondContact O-N 2.96Å; I251-T254 PolarHBondContact O-N 2.89Å; I251-L255 HydrophobicContact CG2-CD1 4.08Å; I251-L255 HydrophobicContact CG2-CG 4.47Å; I251-L255 WeakPolarHBondContact O-CG 3.28Å; I251-L255 PolarHBondContact O-N 3.27Å; I251-L352 HydrophobicContact CB-CD2 3.94Å; I251-L352 HydrophobicContact CD1-CD2 4.11Å; I251-L352 HydrophobicContact CG2-CD1 3.98Å; I251-L352 HydrophobicContact CG2-CD2 3.67Å
252	R	95.3	Very high	93.2	Very high	6 Å²	6	65.7 Å²	65.7	2%	0.023	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-38.2	179.5	-71.9	172.5	60	87.8	-3.5	112.5	D136 R248 I249 Y250 R256 L335 L352	D136-R252 IonicContact OD1-CZ 3.02Å; D136-R252 VanDerWaalsContact OD1-CZ 3.26Å; D136-R252 IonicContact OD1-NH1 3.29Å; D136-R252 PolarHBondContact OD1-NH1 3.09Å; D136-R252 IonicContact OD1-NH2 3.88Å; D136-R252 PolarHBondContact OD1-NH2 3.04Å; R248-R252 WeakPolarHBondContact O-CB 3.48Å; R248-R252 VanDerWaalsContact O-CG 3.32Å; R248-R252 WeakPolarHBondContact O-CG 3.24Å; R248-R252 PolarHBondContact O-N 3.27Å; I249-R252 PolarHBondContact O-N 3.01Å; Y250-R252 PolarHBondContact O-N 3.15Å; R252-R256 WeakPolarHBondContact O-CG 3.36Å; R252-R256 PolarHBondContact O-N 3.21Å; R252-R256 PolarHBondContact O-NE 3.44Å; R252-L335 HydrophobicContact CB-CD2 4.47Å; R252-L352 WeakPolarHBondContact CD-O 3.46Å; R252-L352 HydrophobicContact CG-CD2 4.47Å; R252-L352 PolarHBondContact NH1-O 2.74Å
253	R	94.9	Very high	92.7	Very high	78 Å²	78	63.2 Å²	63.2	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-49.5	173.6	-179.7	-175.7	-71.7	-174.2	-10.3	110.9	E139 I249 Y250 I251 L255 R256 N257	E139-R253 IonicContact OE1-CZ 3.7Å; E139-R253 IonicContact OE1-NE 3.2Å; E139-R253 PolarHBondContact OE1-NE 3.19Å; E139-R253 IonicContact OE1-NH2 2.65Å; E139-R253 PolarHBondContact OE1-NH2 3.11Å; E139-R253 IonicContact OE2-CZ 2.72Å; E139-R253 IonicContact OE2-NE 3.59Å; E139-R253 IonicContact OE2-NH2 3.94Å; E139-R253 PolarHBondContact OE2-NH2 3.35Å; I249-R253 WeakPolarHBondContact O-CB 3.32Å; I249-R253 PolarHBondContact O-N 3.42Å; Y250-R253 PolarHBondContact O-N 3.13Å; I251-R253 VanDerWaalsContact C-N 3.34Å; I251-R253 PolarHBondContact O-N 2.96Å; R253-L255 PolarHBondContact O-N 3.15Å; R253-R256 PolarHBondContact O-N 3.17Å; R253-N257 PolarHBondContact O-N 3.12Å
254	T	95.1	Very high	92.2	Very high	47 Å²	47	64.4 Å²	64.4	29%	0.288	31%	0.305	S	S	.	.	H	α-helix	trans	-59.1	-45.5	178.5	-62.9	0	0	0	0	111.6	Y250 I251 R256 N257 F258	Y250-T254 WeakPolarHBondContact O-CB 3.36Å; Y250-T254 PolarHBondContact O-N 3.12Å; Y250-T254 PolarHBondContact O-OG1 3.43Å; Y250-T254 VanDerWaalsContact O-OG1 3.06Å; I251-T254 PolarHBondContact O-N 2.89Å; T254-R256 PolarHBondContact O-N 3.37Å; T254-N257 PolarHBondContact O-N 3.35Å; T254-F258 HydrophobicContact CG2-CD2 3.91Å; T254-F258 HydrophobicContact CG2-CE2 3.5Å; T254-F258 WeakPolarHBondContact O-CD2 2.99Å; T254-F258 PolarHBondContact O-N 2.95Å; T254-F258 VanDerWaalsContact O-N 3.1Å
255	L	94.3	Very high	91.5	Very high	16 Å²	16	63.2 Å²	63.2	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-41	176.8	-68.2	176.5	0	0	0	112.6	I251 R253 F258 I259 L335 K338 I339 L342	I251-L255 HydrophobicContact CG2-CD1 4.08Å; I251-L255 HydrophobicContact CG2-CG 4.47Å; I251-L255 WeakPolarHBondContact O-CG 3.28Å; I251-L255 PolarHBondContact O-N 3.27Å; R253-L255 PolarHBondContact O-N 3.15Å; L255-F258 PolarHBondContact O-N 3.25Å; L255-I259 WeakPolarHBondContact O-CD1 3.38Å; L255-I259 VanDerWaalsContact O-CG1 3.27Å; L255-I259 WeakPolarHBondContact O-CG1 3.5Å; L255-I259 PolarHBondContact O-N 3.16Å; L255-L335 HydrophobicContact CB-CD1 3.6Å; L255-L335 HydrophobicContact CD1-CD1 4.25Å; L255-K338 HydrophobicContact CD2-CG 4.29Å; L255-I339 HydrophobicContact CD1-CD1 4.47Å; L255-I339 HydrophobicContact CD1-CG1 3.62Å; L255-L342 HydrophobicContact CD1-CD1 4.15Å; L255-L342 HydrophobicContact CD2-CD1 4.05Å
256	R	93.3	Very high	90.9	Very high	30 Å²	30	69.3 Å²	69.3	11%	0.113	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-40.8	174.7	-78.9	-178.9	-70.1	-167.8	-4.2	112.8	D136 K137 F138 E139 R252 R253 T254 F258 I259 N260 L335	D136-R256 WeakPolarHBondContact O-CD 3.28Å; K137-R256 PolarHBondContact O-NH1 3.23Å; F138-R256 PolarHBondContact O-NH1 2.81Å; E139-R256 IonicContact OE1-NH2 3.15Å; R252-R256 WeakPolarHBondContact O-CG 3.36Å; R252-R256 PolarHBondContact O-N 3.21Å; R252-R256 PolarHBondContact O-NE 3.44Å; R253-R256 PolarHBondContact O-N 3.17Å; T254-R256 PolarHBondContact O-N 3.37Å; R256-F258 VanDerWaalsContact C-N 3.33Å; R256-F258 PolarHBondContact O-N 3.38Å; R256-I259 PolarHBondContact O-N 2.85Å; R256-N260 WeakPolarHBondContact O-CB 3.44Å; R256-N260 VanDerWaalsContact O-CG 3.23Å; R256-N260 PolarHBondContact O-N 3.15Å; R256-N260 PolarHBondContact O-ND2 3.14Å; R256-L335 HydrophobicContact CG-CD1 4.09Å; R256-L335 HydrophobicContact CG-CD2 4.08Å
257	N	92.4	Very high	89.4	Confident	83 Å²	83	69.9 Å²	69.9	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-45.5	176.8	-70.4	-10.3	0	0	0	110.8	R253 T254 I259 N260 E261	R253-N257 PolarHBondContact O-N 3.12Å; T254-N257 PolarHBondContact O-N 3.35Å; N257-I259 PolarHBondContact O-N 3.46Å; N257-N260 PolarHBondContact O-N 3.25Å; N257-E261 WeakPolarHBondContact O-CG 3.21Å; N257-E261 PolarHBondContact O-N 2.73Å
258	F	92.2	Very high	87.8	Confident	106 Å²	106	72.2 Å²	72.2	47%	0.465	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-44.8	174.2	-76.3	-58.5	0	0	0	113	T254 L255 R256 N260 E261 E262	T254-F258 HydrophobicContact CG2-CD2 3.91Å; T254-F258 HydrophobicContact CG2-CE2 3.5Å; T254-F258 WeakPolarHBondContact O-CD2 2.99Å; T254-F258 PolarHBondContact O-N 2.95Å; T254-F258 VanDerWaalsContact O-N 3.1Å; L255-F258 PolarHBondContact O-N 3.25Å; R256-F258 VanDerWaalsContact C-N 3.33Å; R256-F258 PolarHBondContact O-N 3.38Å; F258-N260 VanDerWaalsContact C-N 3.32Å; F258-N260 PolarHBondContact O-N 2.95Å; F258-E261 PolarHBondContact O-N 3.27Å; F258-E262 WeakPolarHBondContact O-CB 3.46Å; F258-E262 WeakPolarHBondContact O-CG 3.15Å; F258-E262 PolarHBondContact O-N 3.26Å
259	I	90.2	Very high	85.6	Confident	16 Å²	16	73.8 Å²	73.8	8%	0.082	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-43.8	177.6	-68.3	162.2	0	0	0	110.6	L255 R256 N257 E261 E262 M263 L334 L335 K338	L255-I259 WeakPolarHBondContact O-CD1 3.38Å; L255-I259 VanDerWaalsContact O-CG1 3.27Å; L255-I259 WeakPolarHBondContact O-CG1 3.5Å; L255-I259 PolarHBondContact O-N 3.16Å; R256-I259 PolarHBondContact O-N 2.85Å; N257-I259 PolarHBondContact O-N 3.46Å; I259-E261 PolarHBondContact O-N 3.16Å; I259-E262 PolarHBondContact O-N 3.09Å; I259-M263 HydrophobicContact CG2-CG 4.44Å; I259-M263 WeakPolarHBondContact O-CB 3.39Å; I259-M263 VanDerWaalsContact O-CG 3.29Å; I259-M263 WeakPolarHBondContact O-CG 3.18Å; I259-M263 PolarHBondContact O-N 2.66Å; I259-L334 HydrophobicContact CD1-CB 4.34Å; I259-L334 HydrophobicContact CG2-CB 4.06Å; I259-L334 HydrophobicContact CG2-CD1 3.98Å; I259-L335 HydrophobicContact CD1-CB 4.28Å; I259-L335 HydrophobicContact CD1-CD1 4.19Å; I259-K338 HydrophobicContact CD1-CB 4.08Å; I259-K338 HydrophobicContact CD1-CG 4.47Å
260	N	87.1	Confident	83.5	Confident	61 Å²	61	81 Å²	81	33%	0.326	42%	0.42	S	S	.	.	H	α-helix	trans	-65.1	-38.9	179	-72.3	-21.6	0	0	0	111.9	R256 N257 F258 K264 Q270	R256-N260 WeakPolarHBondContact O-CB 3.44Å; R256-N260 VanDerWaalsContact O-CG 3.23Å; R256-N260 PolarHBondContact O-N 3.15Å; R256-N260 PolarHBondContact O-ND2 3.14Å; N257-N260 PolarHBondContact O-N 3.25Å; F258-N260 VanDerWaalsContact C-N 3.32Å; F258-N260 PolarHBondContact O-N 2.95Å; N260-K264 WeakPolarHBondContact O-CB 3.25Å; N260-K264 VanDerWaalsContact O-CG 3.24Å; N260-K264 WeakPolarHBondContact O-CG 3.44Å; N260-K264 PolarHBondContact O-N 2.79Å; N260-Q270 PolarHBondContact OD1-NE2 2.87Å
261	E	89.1	Confident	80.8	Confident	122 Å²	122	82.5 Å²	82.5	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-65.7	-45.9	173.8	-74	176.7	178.6	0	0	112	N257 F258 I259 M263 K264 A265	N257-E261 WeakPolarHBondContact O-CG 3.21Å; N257-E261 PolarHBondContact O-N 2.73Å; F258-E261 PolarHBondContact O-N 3.27Å; I259-E261 PolarHBondContact O-N 3.16Å; E261-M263 VanDerWaalsContact C-N 3.31Å; E261-M263 PolarHBondContact O-N 3.14Å; E261-K264 PolarHBondContact O-N 3.21Å; E261-A265 WeakPolarHBondContact O-CB 3.41Å; E261-A265 PolarHBondContact O-N 3.22Å
262	E	87.9	Confident	78.1	Confident	82 Å²	82	82.6 Å²	82.6	38%	0.383	44%	0.439	S	S	.	.	H	α-helix	trans	-59.5	-40.9	175.9	-76.3	179	-168.1	0	0	111.7	F258 I259 A265 K266 K338	F258-E262 WeakPolarHBondContact O-CB 3.46Å; F258-E262 WeakPolarHBondContact O-CG 3.15Å; F258-E262 PolarHBondContact O-N 3.26Å; I259-E262 PolarHBondContact O-N 3.09Å; E262-A265 PolarHBondContact O-N 3.24Å; E262-K266 WeakPolarHBondContact O-CG 3.39Å; E262-K266 PolarHBondContact O-N 2.91Å; E262-K266 VanDerWaalsContact O-N 3.11Å; E262-K338 IonicContact OE1-NZ 3.61Å; E262-K338 PolarHBondContact OE1-NZ 3.14Å; E262-K338 IonicContact OE2-NZ 2.71Å; E262-K338 PolarHBondContact OE2-NZ 2.86Å
263	M	83.3	Confident	75.2	Confident	43 Å²	43	85.6 Å²	85.6	21%	0.212	46%	0.459	C	S	.	.	H	α-helix	trans	-68.1	-43.5	177.7	-74.3	-61.1	-172.9	0	0	112.4	I259 E261 A265 K266 G267 I268 L334	I259-M263 HydrophobicContact CG2-CG 4.44Å; I259-M263 WeakPolarHBondContact O-CB 3.39Å; I259-M263 VanDerWaalsContact O-CG 3.29Å; I259-M263 WeakPolarHBondContact O-CG 3.18Å; I259-M263 PolarHBondContact O-N 2.66Å; E261-M263 VanDerWaalsContact C-N 3.31Å; E261-M263 PolarHBondContact O-N 3.14Å; M263-A265 VanDerWaalsContact C-N 3.33Å; M263-A265 PolarHBondContact O-N 2.9Å; M263-K266 PolarHBondContact O-N 3.11Å; M263-G267 PolarHBondContact O-N 3.12Å; M263-I268 PolarHBondContact O-N 3.07Å; M263-I268 VanDerWaalsContact O-N 3.13Å; M263-I268 HydrophobicContact SD-CB 4.2Å; M263-I268 HydrophobicContact SD-CD1 4.14Å; M263-I268 HydrophobicContact SD-CG2 4.29Å; M263-L334 HydrophobicContact CE-CD1 3.28Å; M263-L334 HydrophobicContact CE-CD2 3.96Å; M263-L334 HydrophobicContact CE-CG 4.26Å
264	K	82.9	Confident	72.3	Confident	168 Å²	168	86.5 Å²	86.5	73%	0.73	48%	0.475	S	S	*	.	H	α-helix	trans	-60.2	-43.7	174	-75.4	174.2	-177.1	-178.1	0	111.3	N260 E261 K266 G267	N260-K264 WeakPolarHBondContact O-CB 3.25Å; N260-K264 VanDerWaalsContact O-CG 3.24Å; N260-K264 WeakPolarHBondContact O-CG 3.44Å; N260-K264 PolarHBondContact O-N 2.79Å; E261-K264 PolarHBondContact O-N 3.21Å; K264-K266 VanDerWaalsContact C-N 3.27Å; K264-K266 PolarHBondContact O-N 2.74Å; K264-G267 PolarHBondContact O-N 3.38Å; K264-G267 VanDerWaalsContact O-N 3.08Å
265	A	80.2	Confident	69.5	Low	90 Å²	90	93.4 Å²	93.4	74%	0.744	50%	0.502	S	S	*	.	H	α-helix	trans	-63.5	-31.4	178	0	0	0	0	0	112.9	E261 E262 M263 G267	E261-A265 WeakPolarHBondContact O-CB 3.41Å; E261-A265 PolarHBondContact O-N 3.22Å; E262-A265 PolarHBondContact O-N 3.24Å; M263-A265 VanDerWaalsContact C-N 3.33Å; M263-A265 PolarHBondContact O-N 2.9Å; A265-G267 VanDerWaalsContact C-N 3.26Å; A265-G267 PolarHBondContact O-N 3.36Å
266	K	79.4	Confident	66.8	Low	145 Å²	145	101 Å²	101	63%	0.63	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	0.9	175.5	-71.2	173.6	-178.3	174.5	0	113.9	E262 M263 K264 I268	E262-K266 WeakPolarHBondContact O-CG 3.39Å; E262-K266 PolarHBondContact O-N 2.91Å; E262-K266 VanDerWaalsContact O-N 3.11Å; M263-K266 PolarHBondContact O-N 3.11Å; K264-K266 VanDerWaalsContact C-N 3.27Å; K264-K266 PolarHBondContact O-N 2.74Å; K266-I268 HydrophobicContact CB-CD1 4.1Å; K266-I268 HydrophobicContact CB-CG1 4.1Å; K266-I268 PolarHBondContact O-N 3.24Å
267	G	64.1	Low	64	Low	68 Å²	68	109.2 Å²	109.2	70%	0.701	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.8	10.9	-176.3	0	0	0	0	0	113.9	M263 K264 A265 A269	M263-G267 PolarHBondContact O-N 3.12Å; K264-G267 PolarHBondContact O-N 3.38Å; K264-G267 VanDerWaalsContact O-N 3.08Å; A265-G267 VanDerWaalsContact C-N 3.26Å; A265-G267 PolarHBondContact O-N 3.36Å; G267-A269 PolarHBondContact O-N 3.34Å
268	I	60.5	Low	61.5	Low	93 Å²	93	112.4 Å²	112.4	48%	0.477	57%	0.572	S	S	.	*			trans	-86.4	89.1	176.1	-55.8	173.1	0	0	0	106	M263 K266 Q270	M263-I268 PolarHBondContact O-N 3.07Å; M263-I268 VanDerWaalsContact O-N 3.13Å; M263-I268 HydrophobicContact SD-CB 4.2Å; M263-I268 HydrophobicContact SD-CD1 4.14Å; M263-I268 HydrophobicContact SD-CG2 4.29Å; K266-I268 HydrophobicContact CB-CD1 4.1Å; K266-I268 HydrophobicContact CB-CG1 4.1Å; K266-I268 PolarHBondContact O-N 3.24Å; I268-Q270 PolarHBondContact O-N 3.41Å
269	A	50.1	Low	58.9	Low	68 Å²	68	118.5 Å²	118.5	56%	0.562	59%	0.592	S	S	*	*			trans	-56	141	162.7	0	0	0	0	0	107.9	G267 K271	G267-A269 PolarHBondContact O-N 3.34Å; A269-K271 HydrophobicContact CB-CG 4.49Å; A269-K271 PolarHBondContact O-N 2.92Å
270	Q	50.3	Low	56.2	Low	162 Å²	162	129.6 Å²	129.6	76%	0.757	63%	0.632	S	S	*	*			trans	-61.8	82.3	160.7	-72.4	-176.5	5.5	0	0	106.3	N260 I268 A272	N260-Q270 PolarHBondContact OD1-NE2 2.87Å; I268-Q270 PolarHBondContact O-N 3.41Å; Q270-A272 PolarHBondContact O-N 3.25Å
271	K	39.6	Very low	53.6	Low	186 Å²	186	132.2 Å²	132.2	81%	0.809	65%	0.654	S	S	*	*			trans	-65.8	124.8	174.5	-83.9	-175.6	173.4	179.6	0	105.2	A269	A269-K271 HydrophobicContact CB-CG 4.49Å; A269-K271 PolarHBondContact O-N 2.92Å
272	A	38.1	Very low	50.9	Low	64 Å²	64	136.8 Å²	136.8	53%	0.529	67%	0.666	S	S	.	*			trans	-43.9	144.2	150.5	0	0	0	0	0	107.9	Q270	Q270-A272 PolarHBondContact O-N 3.25Å
273	P	34.4	Very low	48.3	Very low	69 Å²	69	144.6 Å²	144.6	45%	0.448	69%	0.692	S	S	.	*	S	Bend	trans	-44.6	141.1	-179.2	17.3	-30	0	0	0	109.9	K275	P273-K275 PolarHBondContact O-N 3.47Å
274	P	33	Very low	46.1	Very low	97 Å²	97	153.6 Å²	153.6	63%	0.63	72%	0.724	S	S	*	*			trans	-52	123.8	-176.5	22.4	-31.6	0	0	0	107.8	R276	P274-R276 VanDerWaalsContact C-N 3.33Å; P274-R276 PolarHBondContact O-N 3.02Å
275	K	36.4	Very low	43.7	Very low	193 Å²	193	155.3 Å²	155.3	84%	0.839	73%	0.726	S	S	*	*			trans	-49.5	102.4	173.7	-70.9	-174.6	176.2	-172	0	107	P273 K277	P273-K275 PolarHBondContact O-N 3.47Å; K275-K277 PolarHBondContact O-N 3Å; K275-K277 VanDerWaalsContact O-N 3.12Å
276	R	39.3	Very low	41.7	Very low	174 Å²	174	158.1 Å²	158.1	66%	0.657	73%	0.727	S	S	*	*			trans	-58.3	123.6	170.4	-82.6	-178.1	171.3	174.6	2	104.6	P274 R278	P274-R276 VanDerWaalsContact C-N 3.33Å; P274-R276 PolarHBondContact O-N 3.02Å; R276-R278 VanDerWaalsContact C-N 3.34Å; R276-R278 PolarHBondContact O-N 3.34Å
277	K	33.5	Very low	39.5	Very low	203 Å²	203	155.2 Å²	155.2	88%	0.883	72%	0.718	S	S	*	*			trans	-55	107.3	172.1	-80.9	-178.1	178	176.2	0	105.3	K275 R279	K275-K277 PolarHBondContact O-N 3Å; K275-K277 VanDerWaalsContact O-N 3.12Å; K277-R279 PolarHBondContact O-N 3.04Å
278	R	40.4	Very low	38.2	Very low	151 Å²	151	156.4 Å²	156.4	57%	0.57	71%	0.712	S	S	*	*			trans	-45.9	115.8	175.3	-83.9	177.7	157.8	163.6	-6.1	107	N17 E20 R276 R280	N17-R278 PolarHBondContact OD1-NH2 3.4Å; E20-R278 IonicContact OE1-CZ 3.68Å; E20-R278 IonicContact OE1-NH1 3.54Å; E20-R278 PolarHBondContact OE1-NH1 2.87Å; E20-R278 VanDerWaalsContact OE1-NH1 3.13Å; E20-R278 IonicContact OE1-NH2 2.72Å; E20-R278 IonicContact OE2-CZ 3.24Å; E20-R278 VanDerWaalsContact OE2-CZ 3.24Å; E20-R278 IonicContact OE2-NH1 2.65Å; E20-R278 PolarHBondContact OE2-NH1 3.48Å; E20-R278 IonicContact OE2-NH2 3.71Å; E20-R278 PolarHBondContact OE2-NH2 2.8Å; R276-R278 VanDerWaalsContact C-N 3.34Å; R276-R278 PolarHBondContact O-N 3.34Å; R278-R280 PolarHBondContact O-N 2.89Å; R278-R280 VanDerWaalsContact O-N 3.09Å
279	R	37.1	Very low	37.4	Very low	234 Å²	234	158 Å²	158	88%	0.883	71%	0.713	S	S	*	*			trans	-57.1	119.8	158.1	-92.2	-179.3	135.7	176.8	-3.3	104.7	K277 C281	K277-R279 PolarHBondContact O-N 3.04Å; R279-C281 PolarHBondContact O-N 2.9Å
280	R	32.5	Very low	36.9	Very low	248 Å²	248	158.6 Å²	158.6	94%	0.936	71%	0.709	S	S	*	*			trans	-57.6	95.1	171.7	-95.3	179.6	165.4	-178.5	-4.1	107	R278 R282	R278-R280 PolarHBondContact O-N 2.89Å; R278-R280 VanDerWaalsContact O-N 3.09Å; R280-R282 PolarHBondContact O-N 3.49Å
281	C	34	Very low	36.3	Very low	117 Å²	117	158.1 Å²	158.1	79%	0.791	71%	0.705	S	S	*	*			trans	-59.6	114.7	165.8	-85.5	0	0	0	0	106.4	R279 R283	R279-C281 PolarHBondContact O-N 2.9Å; C281-R283 PolarHBondContact O-N 3.2Å
282	R	31.7	Very low	36.3	Very low	218 Å²	218	154.4 Å²	154.4	82%	0.823	70%	0.698	S	S	*	*			trans	-41.3	115.8	172.4	-79.4	177.7	164.1	-179.3	-7.9	108.5	R280 R284	R280-R282 PolarHBondContact O-N 3.49Å; R282-R284 PolarHBondContact O-N 3.01Å
283	R	34.3	Very low	37.4	Very low	246 Å²	246	154.1 Å²	154.1	93%	0.928	70%	0.701	S	S	*	*			trans	-53.6	105	167.3	-88.5	-179.7	170.5	175.9	-3.3	106.4	C281 R285	C281-R283 PolarHBondContact O-N 3.2Å; R283-R285 PolarHBondContact O-N 2.95Å
284	R	36.2	Very low	37.8	Very low	232 Å²	232	159 Å²	159	88%	0.875	72%	0.723	S	S	*	*			trans	-61.2	125.3	165.4	-79.7	-176.2	174.4	-179	-1	106.2	R282 I286	R282-R284 PolarHBondContact O-N 3.01Å; R284-I286 PolarHBondContact O-N 3.29Å
285	R	33.4	Very low	37.9	Very low	203 Å²	203	161.4 Å²	161.4	77%	0.766	73%	0.726	S	S	*	*			trans	-43.7	111.4	176.2	-78	179.9	172.9	-172.4	-7.7	109.2	R283 N287	R283-R285 PolarHBondContact O-N 2.95Å; R285-N287 PolarHBondContact O-N 3.26Å
286	I	36.8	Very low	38	Very low	149 Å²	149	156.4 Å²	156.4	76%	0.764	71%	0.708	S	S	*	*			trans	-78.3	111.7	170	-65.5	171.6	0	0	0	105.3	R284 T288	R284-I286 PolarHBondContact O-N 3.29Å; I286-T288 PolarHBondContact O-N 3.12Å; I286-T288 VanDerWaalsContact O-N 3.16Å
287	N	34.2	Very low	38	Very low	85 Å²	85	153 Å²	153	46%	0.455	70%	0.701	S	S	.	*			trans	-71.9	106	168.2	-78.4	-8.6	0	0	0	107.9	R285 Y289	R285-N287 PolarHBondContact O-N 3.26Å; N287-Y289 HydrophobicContact CB-CE2 4.12Å; N287-Y289 WeakPolarHBondContact O-CD2 3.49Å; N287-Y289 PolarHBondContact O-N 3.05Å
288	T	36.9	Very low	38.2	Very low	92 Å²	92	146.8 Å²	146.8	56%	0.564	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-73.2	118.1	168.1	-57.1	0	0	0	0	108.1	I286 V290	I286-T288 PolarHBondContact O-N 3.12Å; I286-T288 VanDerWaalsContact O-N 3.16Å; T288-V290 HydrophobicContact CG2-CG2 4.5Å
289	Y	44.2	Very low	38.1	Very low	127 Å²	127	146.7 Å²	146.7	50%	0.498	69%	0.688	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92	121.5	174.1	-66	-81.3	0	0	0	109.4	N287 L296 P298	N287-Y289 HydrophobicContact CB-CE2 4.12Å; N287-Y289 WeakPolarHBondContact O-CD2 3.49Å; N287-Y289 PolarHBondContact O-N 3.05Å; Y289-L296 HydrophobicContact CD1-CD2 3.21Å; Y289-L296 HydrophobicContact CD1-CG 3.77Å; Y289-L296 HydrophobicContact CE1-CD2 3.67Å; Y289-L296 HydrophobicContact CG-CD2 3.7Å; Y289-L296 HydrophobicContact CG-CG 4.17Å; Y289-P298 HydrophobicContact CD1-CB 4.45Å; Y289-P298 HydrophobicContact CE1-CB 4.16Å; Y289-P298 HydrophobicContact CE1-CG 4.48Å
290	V	39.3	Very low	38.1	Very low	80 Å²	80	140 Å²	140	49%	0.485	68%	0.675	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.3	127.9	174.6	-175.8	0	0	0	0	108.4	T288 V292	T288-V290 HydrophobicContact CG2-CG2 4.5Å; V290-V292 HydrophobicContact CG1-CG2 4.42Å
291	F	36.9	Very low	38.4	Very low	152 Å²	152	136 Å²	136	67%	0.667	67%	0.672	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.4	122.8	173	-95.3	-90.4	0	0	0	110	L296	F291-L296 HydrophobicContact CD2-CD1 3.89Å; F291-L296 HydrophobicContact CE1-CD1 4.17Å; F291-L296 HydrophobicContact CE2-CD1 3.38Å; F291-L296 HydrophobicContact CG-CD1 4.48Å; F291-L296 HydrophobicContact CZ-CD1 3.54Å
292	V	40.3	Very low	38.4	Very low	109 Å²	109	136.3 Å²	136.3	66%	0.661	67%	0.665	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.2	96.7	166.7	-175.5	0	0	0	0	107.4	V290	V290-V292 HydrophobicContact CG1-CG2 4.42Å
293	G	59.8	Low	38.7	Very low	58 Å²	58	129.7 Å²	129.7	60%	0.598	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.9	-142.4	-170.9	0	0	0	0	0	112.8	Q295	G293-Q295 VanDerWaalsContact C-N 3.34Å; G293-Q295 PolarHBondContact O-N 3.33Å
294	N	44.4	Very low	38.8	Very low	170 Å²	170	126.5 Å²	126.5	91%	0.909	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	19.1	-176.6	-76.2	17.5	0	0	0	114.5
295	Q	35.4	Very low	38.9	Very low	148 Å²	148	123.4 Å²	123.4	69%	0.692	64%	0.643	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.8	142.1	176.6	-73.6	-175.4	-6.6	0	0	112.6	G293	G293-Q295 VanDerWaalsContact C-N 3.34Å; G293-Q295 PolarHBondContact O-N 3.33Å
296	L	37.5	Very low	39.2	Very low	89 Å²	89	119.4 Å²	119.4	47%	0.466	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98	117.3	-177.3	-152.6	95.1	0	0	0	108.9	Y289 F291	Y289-L296 HydrophobicContact CD1-CD2 3.21Å; Y289-L296 HydrophobicContact CD1-CG 3.77Å; Y289-L296 HydrophobicContact CE1-CD2 3.67Å; Y289-L296 HydrophobicContact CG-CD2 3.7Å; Y289-L296 HydrophobicContact CG-CG 4.17Å; F291-L296 HydrophobicContact CD2-CD1 3.89Å; F291-L296 HydrophobicContact CE1-CD1 4.17Å; F291-L296 HydrophobicContact CE2-CD1 3.38Å; F291-L296 HydrophobicContact CG-CD1 4.48Å; F291-L296 HydrophobicContact CZ-CD1 3.54Å
297	I	40	Very low	39.3	Very low	101 Å²	101	120.4 Å²	120.4	52%	0.518	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	124.4	179.7	-56.1	177.1	0	0	0	109.2
298	P	37.7	Very low	39.3	Very low	73 Å²	73	127 Å²	127	47%	0.474	66%	0.657	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.1	129.7	171.5	18.8	-11.1	0	0	0	111	Y289	Y289-P298 HydrophobicContact CD1-CB 4.45Å; Y289-P298 HydrophobicContact CE1-CB 4.16Å; Y289-P298 HydrophobicContact CE1-CG 4.48Å
299	Q	37	Very low	39.4	Very low	149 Å²	149	128.9 Å²	128.9	70%	0.696	66%	0.661	S	S	*	*			trans	-110	125.2	167.1	-87.3	-168.2	-7.5	0	0	110.7
300	P	37.8	Very low	39.2	Very low	94 Å²	94	128.7 Å²	128.7	61%	0.61	67%	0.665	S	S	*	*			trans	-80.1	132.3	163.6	29.5	-26.9	0	0	0	110.3
301	L	38.1	Very low	39.1	Very low	165 Å²	165	130.5 Å²	130.5	86%	0.864	67%	0.672	S	S	*	*			trans	-91.2	108.2	163.8	-85.5	153.7	0	0	0	107.1
302	D	34.9	Very low	39	Very low	123 Å²	123	129.3 Å²	129.3	66%	0.658	67%	0.672	S	S	*	*			trans	-89.6	117.5	169.1	-71.3	-34.1	0	0	0	108.7
303	S	37.9	Very low	39	Very low	78 Å²	78	128.6 Å²	128.6	55%	0.545	67%	0.665	S	S	.	*			trans	-115.7	106.1	166.3	49.5	0	0	0	0	108	E305	S303-E305 PolarHBondContact O-N 2.92Å
304	E	36.5	Very low	37.9	Very low	179 Å²	179	132.5 Å²	132.5	84%	0.836	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	27.4	-179.4	-63.3	-147.7	163	0	0	114.7
305	E	37.8	Very low	37.4	Very low	167 Å²	167	132.5 Å²	132.5	78%	0.78	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-10.5	173	-69.1	-171.5	161.7	0	0	112.7	S303	S303-E305 PolarHBondContact O-N 2.92Å
306	D	40.7	Very low	37.3	Very low	120 Å²	120	133 Å²	133	64%	0.642	66%	0.662	S	S	*	*	S	Bend	trans	-82	-23.5	-174.8	-82	-25.8	0	0	0	114.4
307	E	37.7	Very low	37.2	Very low	169 Å²	169	135.7 Å²	135.7	79%	0.79	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-80.6	-19.7	-174.1	-69.7	-166.3	169.4	0	0	114.3
308	R	34.5	Very low	37	Very low	223 Å²	223	137.8 Å²	137.8	84%	0.842	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-84.6	-10.2	179.7	-76.6	-171.4	-125.5	-141	-1.2	114.8
309	M	38.8	Very low	36.7	Very low	133 Å²	133	143.1 Å²	143.1	66%	0.655	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-94	-6.2	178.1	-73.7	-76.1	-135.8	0	0	113.1	N313	M309-N313 PolarHBondContact O-ND2 3.14Å
310	E	40.9	Very low	36.5	Very low	122 Å²	122	142.8 Å²	142.8	57%	0.57	70%	0.703	S	S	*	*	S	Bend	trans	-84	-25.1	-178.1	-72.2	-159.9	152.1	0	0	113.7
311	D	35.7	Very low	36.4	Very low	118 Å²	118	147 Å²	147	63%	0.631	72%	0.715	S	S	*	*	S	Bend	trans	-85.2	-34.8	-179.2	-90.1	-18.1	0	0	0	113.4	N313 K314	D311-N313 VanDerWaalsContact C-N 3.27Å; D311-N313 PolarHBondContact O-N 3.33Å; D311-K314 PolarHBondContact O-N 3.23Å
312	D	35.1	Very low	36.1	Very low	127 Å²	127	144.1 Å²	144.1	68%	0.679	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-20.8	177.4	-85.3	-11.9	0	0	0	113.2
313	N	40	Very low	36	Very low	94 Å²	94	147 Å²	147	50%	0.503	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	-15.2	179.9	-82.5	-53.4	0	0	0	114	M309 D311	M309-N313 PolarHBondContact O-ND2 3.14Å; D311-N313 VanDerWaalsContact C-N 3.27Å; D311-N313 PolarHBondContact O-N 3.33Å
314	K	37.2	Very low	35.7	Very low	140 Å²	140	150.8 Å²	150.8	61%	0.609	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-23.4	178.9	-83.4	177.7	-174.8	156.2	0	113.3	D311	D311-K314 PolarHBondContact O-N 3.23Å
315	E	33.3	Very low	35.8	Very low	170 Å²	170	150.1 Å²	150.1	79%	0.794	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-16.3	-178.9	-67.2	-165.5	167.5	0	0	113.6
316	E	34.5	Very low	35.5	Very low	159 Å²	159	150.7 Å²	150.7	74%	0.743	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-18	174.6	-72.2	-160	161.6	0	0	114.1	D318	E316-D318 VanDerWaalsContact C-N 3.33Å; E316-D318 PolarHBondContact O-N 2.81Å
317	E	36.1	Very low	35.1	Very low	146 Å²	146	150.6 Å²	150.6	68%	0.682	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-16.7	-177.3	-78	-173	163.5	0	0	114.3
318	D	34.1	Very low	35	Very low	145 Å²	145	150 Å²	150	78%	0.775	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	3.2	-174.4	-93.1	-18.9	0	0	0	115.4	E316	E316-D318 VanDerWaalsContact C-N 3.33Å; E316-D318 PolarHBondContact O-N 2.81Å
319	K	32.9	Very low	35.3	Very low	185 Å²	185	145.7 Å²	145.7	80%	0.804	72%	0.724	S	S	*	*	S	Bend	trans	-114.7	-5.8	-175.4	-87.8	-178.9	-178.5	168	0	117.9
320	D	32.8	Very low	35.7	Very low	142 Å²	142	144.3 Å²	144.3	76%	0.759	73%	0.725	S	S	*	*			trans	-113.7	11.2	-172.9	-119.7	5.6	0	0	0	115.3	S322	D320-S322 VanDerWaalsContact C-N 3.26Å; D320-S322 PolarHBondContact O-N 3.05Å
321	H	35.6	Very low	36.6	Very low	183 Å²	183	143.1 Å²	143.1	85%	0.847	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	65.1	171.4	-79.7	-51.9	0	0	0	112.4
322	S	30.4	Very low	38.4	Very low	104 Å²	104	144.3 Å²	144.3	73%	0.727	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.8	21.6	162.3	64.3	0	0	0	0	116	D320 I324	D320-S322 VanDerWaalsContact C-N 3.26Å; D320-S322 PolarHBondContact O-N 3.05Å; S322-I324 PolarHBondContact O-N 3.39Å
323	E	33.6	Very low	40.8	Very low	183 Å²	183	139.2 Å²	139.2	86%	0.855	70%	0.696	S	S	*	*			trans	-83.7	103.9	162.5	-74.9	-159.7	156.7	0	0	110.3	L325	E323-L325 PolarHBondContact O-N 2.73Å
324	I	32.7	Very low	43.2	Very low	157 Å²	157	137.9 Å²	137.9	81%	0.805	69%	0.689	S	S	*	*			trans	-52.4	105.3	170	-63.8	163.5	0	0	0	108.4	S322 K326	S322-I324 PolarHBondContact O-N 3.39Å; I324-K326 PolarHBondContact O-N 2.94Å
325	L	37.6	Very low	45.8	Very low	166 Å²	166	131.5 Å²	131.5	87%	0.869	66%	0.661	S	S	*	*			trans	-55.2	100.9	163.8	-84.1	148.5	0	0	0	107.7	E323	E323-L325 PolarHBondContact O-N 2.73Å
326	K	31.1	Very low	48.5	Very low	179 Å²	179	125.4 Å²	125.4	78%	0.778	63%	0.631	S	S	*	*			trans	-59.9	133.8	167	-73.3	-176.1	-177	178.4	0	107.2	I324 E328	I324-K326 PolarHBondContact O-N 2.94Å; K326-E328 PolarHBondContact O-N 2.82Å; K326-E328 VanDerWaalsContact O-N 3.14Å
327	P	32.3	Very low	51.2	Low	118 Å²	118	122.3 Å²	122.3	77%	0.766	62%	0.617	S	S	*	*			trans	-55.2	124.2	171.3	-16.8	27.8	0	0	0	107.9	E329	P327-E329 PolarHBondContact O-N 2.73Å
328	E	36.4	Very low	53.9	Low	157 Å²	157	118.1 Å²	118.1	73%	0.734	60%	0.596	S	S	*	*			trans	-58	113	168.5	-75.8	-177.7	157.7	0	0	106.9	K326	K326-E328 PolarHBondContact O-N 2.82Å; K326-E328 VanDerWaalsContact O-N 3.14Å
329	E	40.4	Very low	56.8	Low	131 Å²	131	111.2 Å²	111.2	61%	0.612	56%	0.559	S	S	*	*			trans	-57.4	140.4	171.8	-69.4	-171.4	170.5	0	0	108.2	P327 R332	P327-E329 PolarHBondContact O-N 2.73Å; E329-R332 IonicContact OE1-NH2 2.78Å; E329-R332 PolarHBondContact OE1-NH2 3.22Å; E329-R332 IonicContact OE2-CZ 3.79Å; E329-R332 VanDerWaalsContact OE2-CZ 3.26Å; E329-R332 IonicContact OE2-NE 3.92Å; E329-R332 PolarHBondContact OE2-NE 3.03Å; E329-R332 VanDerWaalsContact OE2-NE 3.15Å; E329-R332 IonicContact OE2-NH2 2.79Å; E329-R332 PolarHBondContact OE2-NH2 3.45Å
330	P	47.1	Very low	59.6	Low	104 Å²	104	106 Å²	106	68%	0.675	54%	0.538	S	S	*	.			trans	-54.6	141.7	178.2	23.2	-32.8	0	0	0	109.4	R332	P330-R332 PolarHBondContact O-N 2.74Å
331	P	58.9	Low	62.5	Low	98 Å²	98	103.2 Å²	103.2	64%	0.636	53%	0.53	S	S	*	.			trans	-54.4	113.9	-177.3	20.7	-31.1	0	0	0	109.3	N333	P331-N333 PolarHBondContact O-N 3.41Å
332	R	75.1	Confident	65.3	Low	142 Å²	142	96.9 Å²	96.9	54%	0.536	50%	0.502	S	S	.	.			trans	-78.9	123.1	-178.3	-66.1	-169.5	-167.5	-169.1	2.8	109.8	E329 P330 L334	E329-R332 IonicContact OE1-NH2 2.78Å; E329-R332 PolarHBondContact OE1-NH2 3.22Å; E329-R332 IonicContact OE2-CZ 3.79Å; E329-R332 VanDerWaalsContact OE2-CZ 3.26Å; E329-R332 IonicContact OE2-NE 3.92Å; E329-R332 PolarHBondContact OE2-NE 3.03Å; E329-R332 VanDerWaalsContact OE2-NE 3.15Å; E329-R332 IonicContact OE2-NH2 2.79Å; E329-R332 PolarHBondContact OE2-NH2 3.45Å; P330-R332 PolarHBondContact O-N 2.74Å; R332-L334 HydrophobicContact CB-CD2 4.39Å; R332-L334 PolarHBondContact O-N 2.87Å
333	N	85.4	Confident	68.4	Low	21 Å²	21	98.2 Å²	98.2	11%	0.112	51%	0.509	C	S	.	.			trans	-79	85.7	172.2	-170	-36.2	0	0	0	110.3	D133 D136 P331 L335 R336 E337	D133-N333 PolarHBondContact OD1-ND2 2.98Å; D136-N333 PolarHBondContact OD2-ND2 2.91Å; P331-N333 PolarHBondContact O-N 3.41Å; N333-L335 VanDerWaalsContact C-N 3.31Å; N333-L335 PolarHBondContact O-N 2.73Å; N333-R336 HydrophobicContact CB-CB 4.11Å; N333-R336 PolarHBondContact O-N 2.88Å; N333-R336 WeakPolarHBondContact OD1-CB 3.37Å; N333-R336 PolarHBondContact OD1-N 3.24Å; N333-R336 VanDerWaalsContact OD1-N 3.11Å; N333-E337 PolarHBondContact O-N 2.95Å
334	L	89.8	Confident	71.3	Confident	65 Å²	65	92.2 Å²	92.2	34%	0.34	48%	0.482	S	S	.	.	H	α-helix	trans	-60.6	-36.4	-173.3	-60.3	167.4	0	0	0	113.4	I259 M263 R332 E337 K338	I259-L334 HydrophobicContact CD1-CB 4.34Å; I259-L334 HydrophobicContact CG2-CB 4.06Å; I259-L334 HydrophobicContact CG2-CD1 3.98Å; M263-L334 HydrophobicContact CE-CD1 3.28Å; M263-L334 HydrophobicContact CE-CD2 3.96Å; M263-L334 HydrophobicContact CE-CG 4.26Å; R332-L334 HydrophobicContact CB-CD2 4.39Å; R332-L334 PolarHBondContact O-N 2.87Å; L334-E337 PolarHBondContact O-N 3.35Å; L334-K338 WeakPolarHBondContact O-CB 3.27Å; L334-K338 PolarHBondContact O-N 3.25Å
335	L	91.4	Very high	74.3	Confident	7 Å²	7	88.8 Å²	88.8	4%	0.037	47%	0.47	C	S	.	.	H	α-helix	trans	-64.6	-46.2	178.4	179.3	60.7	0	0	0	110.1	D136 R252 L255 R256 I259 N333 K338 I339	D136-L335 HydrophobicContact CB-CB 4.28Å; D136-L335 HydrophobicContact CB-CD2 4.06Å; D136-L335 VanDerWaalsContact O-CD2 3.29Å; D136-L335 WeakPolarHBondContact O-CD2 3.41Å; R252-L335 HydrophobicContact CB-CD2 4.47Å; L255-L335 HydrophobicContact CB-CD1 3.6Å; L255-L335 HydrophobicContact CD1-CD1 4.25Å; R256-L335 HydrophobicContact CG-CD1 4.09Å; R256-L335 HydrophobicContact CG-CD2 4.08Å; I259-L335 HydrophobicContact CD1-CB 4.28Å; I259-L335 HydrophobicContact CD1-CD1 4.19Å; N333-L335 VanDerWaalsContact C-N 3.31Å; N333-L335 PolarHBondContact O-N 2.73Å; L335-K338 PolarHBondContact O-N 2.97Å; L335-I339 HydrophobicContact CD1-CD1 4.16Å; L335-I339 HydrophobicContact CD1-CG1 4.43Å; L335-I339 HydrophobicContact CG-CD1 3.93Å; L335-I339 VanDerWaalsContact O-CG1 3.28Å; L335-I339 WeakPolarHBondContact O-CG1 3.32Å; L335-I339 PolarHBondContact O-N 2.95Å
336	R	90.7	Very high	77	Confident	41 Å²	41	86.7 Å²	86.7	16%	0.155	46%	0.456	C	S	.	.	H	α-helix	trans	-62.1	-47.7	176.8	-172.7	176.2	-177.2	115.8	6.5	111.5	N333 K338 I339 M340 T353 R356	N333-R336 HydrophobicContact CB-CB 4.11Å; N333-R336 PolarHBondContact O-N 2.88Å; N333-R336 WeakPolarHBondContact OD1-CB 3.37Å; N333-R336 PolarHBondContact OD1-N 3.24Å; N333-R336 VanDerWaalsContact OD1-N 3.11Å; R336-K338 VanDerWaalsContact C-N 3.3Å; R336-K338 PolarHBondContact O-N 3.16Å; R336-I339 PolarHBondContact O-N 3.47Å; R336-M340 HydrophobicContact CG-CG 4.43Å; R336-M340 VanDerWaalsContact O-CG 3.31Å; R336-M340 WeakPolarHBondContact O-CG 3.4Å; R336-M340 PolarHBondContact O-N 3.37Å; R336-T353 HydrophobicContact CG-CG2 4.15Å; R336-R356 VanDerWaalsContact CZ-O 3.24Å; R336-R356 PolarHBondContact NH1-O 2.86Å; R336-R356 PolarHBondContact NH2-O 3.26Å
337	E	91.9	Very high	80	Confident	95 Å²	95	82.3 Å²	82.3	44%	0.444	45%	0.448	S	S	.	.	H	α-helix	trans	-56.1	-45.3	176.2	-72.6	179.5	-178.7	0	0	111.7	N333 L334 M340 S341	N333-E337 PolarHBondContact O-N 2.95Å; L334-E337 PolarHBondContact O-N 3.35Å; E337-M340 PolarHBondContact O-N 2.8Å; E337-S341 PolarHBondContact O-N 3.15Å
338	K	92.6	Very high	82.9	Confident	57 Å²	57	79.6 Å²	79.6	25%	0.248	43%	0.426	C	S	.	.	H	α-helix	trans	-61.1	-48.9	177	-162.4	73.1	164.7	-162.6	0	110.9	L255 I259 E262 L334 L335 R336 M340 S341 L342	L255-K338 HydrophobicContact CD2-CG 4.29Å; I259-K338 HydrophobicContact CD1-CB 4.08Å; I259-K338 HydrophobicContact CD1-CG 4.47Å; E262-K338 IonicContact OE1-NZ 3.61Å; E262-K338 PolarHBondContact OE1-NZ 3.14Å; E262-K338 IonicContact OE2-NZ 2.71Å; E262-K338 PolarHBondContact OE2-NZ 2.86Å; L334-K338 WeakPolarHBondContact O-CB 3.27Å; L334-K338 PolarHBondContact O-N 3.25Å; L335-K338 PolarHBondContact O-N 2.97Å; R336-K338 VanDerWaalsContact C-N 3.3Å; R336-K338 PolarHBondContact O-N 3.16Å; K338-M340 VanDerWaalsContact C-N 3.32Å; K338-M340 PolarHBondContact O-N 3.48Å; K338-S341 PolarHBondContact O-N 2.97Å; K338-S341 PolarHBondContact O-OG 2.87Å; K338-L342 WeakPolarHBondContact O-CG 3.4Å; K338-L342 PolarHBondContact O-N 2.79Å
339	I	93.7	Very high	85.7	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-56.4	-46.2	177.4	-69.3	163.6	0	0	0	110.8	L255 L335 R336 S341 L342 K349 L352 T353	L255-I339 HydrophobicContact CD1-CD1 4.47Å; L255-I339 HydrophobicContact CD1-CG1 3.62Å; L335-I339 HydrophobicContact CD1-CD1 4.16Å; L335-I339 HydrophobicContact CD1-CG1 4.43Å; L335-I339 HydrophobicContact CG-CD1 3.93Å; L335-I339 VanDerWaalsContact O-CG1 3.28Å; L335-I339 WeakPolarHBondContact O-CG1 3.32Å; L335-I339 PolarHBondContact O-N 2.95Å; R336-I339 PolarHBondContact O-N 3.47Å; I339-S341 VanDerWaalsContact C-N 3.29Å; I339-S341 PolarHBondContact O-N 3.02Å; I339-L342 PolarHBondContact O-N 2.8Å; I339-K349 HydrophobicContact CG2-CB 4.32Å; I339-K349 HydrophobicContact CG2-CG 4.35Å; I339-L352 HydrophobicContact CD1-CB 4.03Å; I339-L352 HydrophobicContact CG1-CB 4.46Å; I339-L352 HydrophobicContact CG2-CB 4.01Å; I339-L352 HydrophobicContact CG2-CD1 4.23Å; I339-T353 HydrophobicContact CD1-CG2 4.21Å; I339-T353 HydrophobicContact CG2-CG2 4.07Å
340	M	92.8	Very high	88.2	Confident	75 Å²	75	68.4 Å²	68.4	37%	0.369	38%	0.378	S	S	.	.	H	α-helix	trans	-67.4	-29.8	-178.3	-65.2	-52.7	-70.7	0	0	112.9	R336 E337 K338 L342 K349	R336-M340 HydrophobicContact CG-CG 4.43Å; R336-M340 VanDerWaalsContact O-CG 3.31Å; R336-M340 WeakPolarHBondContact O-CG 3.4Å; R336-M340 PolarHBondContact O-N 3.37Å; E337-M340 PolarHBondContact O-N 2.8Å; K338-M340 VanDerWaalsContact C-N 3.32Å; K338-M340 PolarHBondContact O-N 3.48Å; M340-L342 VanDerWaalsContact C-N 3.33Å; M340-K349 HydrophobicContact CE-CD 4.21Å; M340-K349 PolarHBondContact O-NZ 3.14Å; M340-K349 HydrophobicContact SD-CB 4.11Å; M340-K349 HydrophobicContact SD-CD 4.05Å; M340-K349 HydrophobicContact SD-CG 4.5Å
341	S	93.7	Very high	90.5	Very high	84 Å²	84	64.7 Å²	64.7	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-73.4	-20.2	176.8	78.3	0	0	0	0	114.3	E337 K338 I339	E337-S341 PolarHBondContact O-N 3.15Å; K338-S341 PolarHBondContact O-N 2.97Å; K338-S341 PolarHBondContact O-OG 2.87Å; I339-S341 VanDerWaalsContact C-N 3.29Å; I339-S341 PolarHBondContact O-N 3.02Å
342	L	93.4	Very high	92.2	Very high	50 Å²	50	60 Å²	60	26%	0.262	32%	0.32	S	S	.	.	S	Bend	trans	-71.4	147	-178.2	-65.7	170.2	0	0	0	111.2	L255 K338 I339 M340 L344 K349	L255-L342 HydrophobicContact CD1-CD1 4.15Å; L255-L342 HydrophobicContact CD2-CD1 4.05Å; K338-L342 WeakPolarHBondContact O-CG 3.4Å; K338-L342 PolarHBondContact O-N 2.79Å; I339-L342 PolarHBondContact O-N 2.8Å; M340-L342 VanDerWaalsContact C-N 3.33Å; L342-L344 HydrophobicContact CB-CD1 3.95Å; L342-L344 HydrophobicContact CB-CG 3.78Å; L342-L344 HydrophobicContact CD1-CD1 3.93Å; L342-L344 PolarHBondContact O-N 3.13Å; L342-K349 WeakPolarHBondContact O-CE 3.31Å; L342-K349 PolarHBondContact O-NZ 3.12Å; L342-K349 VanDerWaalsContact O-NZ 3.16Å
343	P	95.3	Very high	93	Very high	133 Å²	133	53.6 Å²	53.6	86%	0.864	30%	0.297	S	S	*	.	S	Bend	trans	-77.5	55.5	176.7	34.7	-37	0	0	0	111.4
344	L	94	Very high	93.3	Very high	56 Å²	56	55.2 Å²	55.2	29%	0.293	30%	0.302	S	S	.	.			trans	-103.1	151.4	179.4	-58.5	177.8	0	0	0	111	L342 L348 K349 L352	L342-L344 HydrophobicContact CB-CD1 3.95Å; L342-L344 HydrophobicContact CB-CG 3.78Å; L342-L344 HydrophobicContact CD1-CD1 3.93Å; L342-L344 PolarHBondContact O-N 3.13Å; L344-L348 HydrophobicContact CB-CD2 4.29Å; L344-L348 HydrophobicContact CD1-CD2 4.07Å; L344-L348 HydrophobicContact CD1-CG 4.39Å; L344-L348 HydrophobicContact CD2-CD2 4.04Å; L344-L348 HydrophobicContact CG-CD2 4.34Å; L344-K349 HydrophobicContact CB-CG 4.15Å; L344-K349 VanDerWaalsContact O-CE 3.26Å; L344-K349 WeakPolarHBondContact O-CE 3.5Å; L344-L352 HydrophobicContact CD1-CD1 3.85Å
345	P	96.1	Very high	93.4	Very high	85 Å²	85	59.4 Å²	59.4	55%	0.552	31%	0.314	S	S	*	.			trans	-57.2	149.1	168.9	-22.7	33.5	0	0	0	112.3	S347 L348 K349	P345-S347 VanDerWaalsContact C-N 3.28Å; P345-S347 PolarHBondContact O-N 3.48Å; P345-L348 PolarHBondContact O-N 2.76Å; P345-K349 PolarHBondContact O-N 3.32Å; P345-K349 VanDerWaalsContact O-N 3.1Å
346	E	94	Very high	93.3	Very high	122 Å²	122	59.8 Å²	59.8	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-61.3	-36.4	-175.5	-164	57.2	-145.8	0	0	112.7	L348 K349 A350	E346-L348 VanDerWaalsContact C-N 3.28Å; E346-L348 PolarHBondContact O-N 2.69Å; E346-K349 PolarHBondContact O-N 3.03Å; E346-A350 WeakPolarHBondContact O-CB 3.33Å; E346-A350 PolarHBondContact O-N 3.32Å
347	S	94.2	Very high	92.4	Very high	88 Å²	88	66 Å²	66	62%	0.615	35%	0.346	S	S	*	.	H	α-helix	trans	-60.6	-37.1	175.6	55.7	0	0	0	0	112.7	P345 Y351	P345-S347 VanDerWaalsContact C-N 3.28Å; P345-S347 PolarHBondContact O-N 3.48Å; S347-Y351 WeakPolarHBondContact O-CB 3.18Å; S347-Y351 PolarHBondContact O-N 3.19Å
348	L	94	Very high	90.8	Very high	60 Å²	60	73.6 Å²	73.6	31%	0.314	38%	0.378	S	S	.	.	H	α-helix	trans	-74.9	-37.3	177.2	-174.4	60.2	0	0	0	111.3	L344 P345 E346 Y351 L352	L344-L348 HydrophobicContact CB-CD2 4.29Å; L344-L348 HydrophobicContact CD1-CD2 4.07Å; L344-L348 HydrophobicContact CD1-CG 4.39Å; L344-L348 HydrophobicContact CD2-CD2 4.04Å; L344-L348 HydrophobicContact CG-CD2 4.34Å; P345-L348 PolarHBondContact O-N 2.76Å; E346-L348 VanDerWaalsContact C-N 3.28Å; E346-L348 PolarHBondContact O-N 2.69Å; L348-Y351 HydrophobicContact CD1-CD1 4.28Å; L348-Y351 PolarHBondContact O-N 3Å; L348-L352 HydrophobicContact CD1-CG 4.37Å; L348-L352 HydrophobicContact CG-CD1 4.21Å; L348-L352 HydrophobicContact CG-CG 4.46Å; L348-L352 WeakPolarHBondContact O-CB 3.2Å; L348-L352 VanDerWaalsContact O-CG 3.25Å; L348-L352 WeakPolarHBondContact O-CG 3.28Å; L348-L352 PolarHBondContact O-N 2.97Å
349	K	95	Very high	90.7	Very high	28 Å²	28	74.5 Å²	74.5	12%	0.122	38%	0.384	C	S	.	.	H	α-helix	trans	-59.6	-50.1	172.5	-68.2	-179.4	178.2	-179.3	0	110.7	I339 M340 L342 L344 P345 E346 Y351 L352 T353	I339-K349 HydrophobicContact CG2-CB 4.32Å; I339-K349 HydrophobicContact CG2-CG 4.35Å; M340-K349 HydrophobicContact CE-CD 4.21Å; M340-K349 PolarHBondContact O-NZ 3.14Å; M340-K349 HydrophobicContact SD-CB 4.11Å; M340-K349 HydrophobicContact SD-CD 4.05Å; M340-K349 HydrophobicContact SD-CG 4.5Å; L342-K349 WeakPolarHBondContact O-CE 3.31Å; L342-K349 PolarHBondContact O-NZ 3.12Å; L342-K349 VanDerWaalsContact O-NZ 3.16Å; L344-K349 HydrophobicContact CB-CG 4.15Å; L344-K349 VanDerWaalsContact O-CE 3.26Å; L344-K349 WeakPolarHBondContact O-CE 3.5Å; P345-K349 PolarHBondContact O-N 3.32Å; P345-K349 VanDerWaalsContact O-N 3.1Å; E346-K349 PolarHBondContact O-N 3.03Å; K349-Y351 VanDerWaalsContact C-N 3.33Å; K349-Y351 PolarHBondContact O-N 3.25Å; K349-L352 PolarHBondContact O-N 2.98Å; K349-T353 WeakPolarHBondContact O-CG2 3.36Å; K349-T353 PolarHBondContact O-N 3.02Å; K349-T353 PolarHBondContact O-OG1 3Å; K349-T353 VanDerWaalsContact O-OG1 3.09Å
350	A	93.8	Very high	90.5	Very high	25 Å²	25	78.4 Å²	78.4	21%	0.207	40%	0.404	C	S	.	.	H	α-helix	trans	-57.8	-44.7	176.1	0	0	0	0	0	111.7	E346 L352 T353 Y354 Y355	E346-A350 WeakPolarHBondContact O-CB 3.33Å; E346-A350 PolarHBondContact O-N 3.32Å; A350-L352 PolarHBondContact O-N 3.09Å; A350-T353 WeakPolarHBondContact CA-OG1 3.49Å; A350-T353 CarbonylContact O-C 3.56Å; A350-T353 PolarHBondContact O-N 2.82Å; A350-T353 PolarHBondContact O-OG1 3.2Å; A350-T353 VanDerWaalsContact O-OG1 3.1Å; A350-Y354 PolarHBondContact O-N 3.46Å; A350-Y355 HydrophobicContact CB-CD1 3.79Å; A350-Y355 HydrophobicContact CB-CE1 4.08Å; A350-Y355 WeakPolarHBondContact O-CA 3.15Å; A350-Y355 PolarHBondContact O-N 3.1Å
351	Y	94.4	Very high	90.4	Very high	26 Å²	26	78.6 Å²	78.6	10%	0.102	41%	0.406	C	S	.	.	H	α-helix	trans	-61.6	-43.1	176.6	-179.2	-116.2	0	0	0	113	Q244 D245 R248 S347 L348 K349 T353 Y354 Y355	Q244-Y351 HydrophobicContact CG-CE1 3.96Å; Q244-Y351 HydrophobicContact CG-CE2 4.48Å; Q244-Y351 WeakPolarHBondContact CG-OH 3.28Å; Q244-Y351 PolarHBondContact O-OH 2.9Å; D245-Y351 WeakPolarHBondContact CA-OH 3.41Å; D245-Y351 PolarHBondContact N-OH 3.32Å; R248-Y351 HydrophobicContact CB-CD1 4.43Å; R248-Y351 HydrophobicContact CB-CE1 3.61Å; R248-Y351 VanDerWaalsContact CD-O 3.24Å; R248-Y351 WeakPolarHBondContact CD-O 3.48Å; R248-Y351 HydrophobicContact CG-CE1 4.18Å; S347-Y351 WeakPolarHBondContact O-CB 3.18Å; S347-Y351 PolarHBondContact O-N 3.19Å; L348-Y351 HydrophobicContact CD1-CD1 4.28Å; L348-Y351 PolarHBondContact O-N 3Å; K349-Y351 VanDerWaalsContact C-N 3.33Å; K349-Y351 PolarHBondContact O-N 3.25Å; Y351-T353 VanDerWaalsContact C-N 3.29Å; Y351-T353 PolarHBondContact O-N 3.43Å; Y351-Y354 PolarHBondContact O-N 2.78Å; Y351-Y355 HydrophobicContact CD2-CE2 4.04Å; Y351-Y355 AromaticContact CD2-CZ 4Å
352	L	94.4	Very high	90.2	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-69.3	-24.5	178.2	-70.1	174.4	0	0	0	113.1	R248 I251 R252 I339 L344 L348 K349 A350	R248-L352 HydrophobicContact CG-CD2 4.32Å; I251-L352 HydrophobicContact CB-CD2 3.94Å; I251-L352 HydrophobicContact CD1-CD2 4.11Å; I251-L352 HydrophobicContact CG2-CD1 3.98Å; I251-L352 HydrophobicContact CG2-CD2 3.67Å; R252-L352 WeakPolarHBondContact CD-O 3.46Å; R252-L352 HydrophobicContact CG-CD2 4.47Å; R252-L352 PolarHBondContact NH1-O 2.74Å; I339-L352 HydrophobicContact CD1-CB 4.03Å; I339-L352 HydrophobicContact CG1-CB 4.46Å; I339-L352 HydrophobicContact CG2-CB 4.01Å; I339-L352 HydrophobicContact CG2-CD1 4.23Å; L344-L352 HydrophobicContact CD1-CD1 3.85Å; L348-L352 HydrophobicContact CD1-CG 4.37Å; L348-L352 HydrophobicContact CG-CD1 4.21Å; L348-L352 HydrophobicContact CG-CG 4.46Å; L348-L352 WeakPolarHBondContact O-CB 3.2Å; L348-L352 VanDerWaalsContact O-CG 3.25Å; L348-L352 WeakPolarHBondContact O-CG 3.28Å; L348-L352 PolarHBondContact O-N 2.97Å; K349-L352 PolarHBondContact O-N 2.98Å; A350-L352 PolarHBondContact O-N 3.09Å
353	T	92.8	Very high	90	Very high	7 Å²	7	80 Å²	80	4%	0.043	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	13.2	175.3	59.9	0	0	0	0	113.3	R336 I339 K349 A350 Y351 Y355 R356	R336-T353 HydrophobicContact CG-CG2 4.15Å; I339-T353 HydrophobicContact CD1-CG2 4.21Å; I339-T353 HydrophobicContact CG2-CG2 4.07Å; K349-T353 WeakPolarHBondContact O-CG2 3.36Å; K349-T353 PolarHBondContact O-N 3.02Å; K349-T353 PolarHBondContact O-OG1 3Å; K349-T353 VanDerWaalsContact O-OG1 3.09Å; A350-T353 WeakPolarHBondContact CA-OG1 3.49Å; A350-T353 CarbonylContact O-C 3.56Å; A350-T353 PolarHBondContact O-N 2.82Å; A350-T353 PolarHBondContact O-OG1 3.2Å; A350-T353 VanDerWaalsContact O-OG1 3.1Å; Y351-T353 VanDerWaalsContact C-N 3.29Å; Y351-T353 PolarHBondContact O-N 3.43Å; T353-Y355 PolarHBondContact O-N 3.05Å; T353-R356 WeakPolarHBondContact O-CB 3.12Å; T353-R356 WeakPolarHBondContact O-CD 3.18Å; T353-R356 VanDerWaalsContact O-CG 3.24Å; T353-R356 WeakPolarHBondContact O-CG 3.4Å; T353-R356 PolarHBondContact O-N 3.43Å
354	Y	92.3	Very high	89.7	Confident	56 Å²	56	76.5 Å²	76.5	22%	0.22	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	31.7	-177.6	-72.1	-105.7	0	0	0	113.3	F135 R248 A350 Y351 R356	F135-Y354 HydrophobicContact CE1-CD1 4.09Å; F135-Y354 AromaticContact CE1-CD2 3.52Å; F135-Y354 HydrophobicContact CE1-CD2 3.52Å; F135-Y354 HydrophobicContact CE1-CE1 4.24Å; F135-Y354 AromaticContact CE1-CE2 3.68Å; F135-Y354 HydrophobicContact CE1-CE2 3.68Å; F135-Y354 AromaticContact CE1-CG 3.73Å; F135-Y354 HydrophobicContact CE1-CG 3.73Å; F135-Y354 AromaticContact CZ-CD1 3.9Å; F135-Y354 HydrophobicContact CZ-CD1 3.9Å; F135-Y354 HydrophobicContact CZ-CD2 4.02Å; F135-Y354 AromaticContact CZ-CE1 3.74Å; F135-Y354 HydrophobicContact CZ-CE1 3.74Å; F135-Y354 AromaticContact CZ-CE2 3.85Å; F135-Y354 HydrophobicContact CZ-CE2 3.85Å; F135-Y354 HydrophobicContact CZ-CG 4.03Å; F135-Y354 AromaticContact CZ-CZ 3.7Å; R248-Y354 HydrophobicContact CG-CE2 4.49Å; R248-Y354 VanDerWaalsContact NH1-CE1 3.29Å; A350-Y354 PolarHBondContact O-N 3.46Å; Y351-Y354 PolarHBondContact O-N 2.78Å; Y354-R356 PolarHBondContact O-N 2.85Å; Y354-R356 VanDerWaalsContact O-N 3.07Å
355	Y	91.4	Very high	89.4	Confident	152 Å²	152	77.9 Å²	77.9	60%	0.596	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	22.1	-178.3	-52	-82.6	0	0	0	113.8	A350 Y351 T353 E357	A350-Y355 HydrophobicContact CB-CD1 3.79Å; A350-Y355 HydrophobicContact CB-CE1 4.08Å; A350-Y355 WeakPolarHBondContact O-CA 3.15Å; A350-Y355 PolarHBondContact O-N 3.1Å; Y351-Y355 HydrophobicContact CD2-CE2 4.04Å; Y351-Y355 AromaticContact CD2-CZ 4Å; T353-Y355 PolarHBondContact O-N 3.05Å; Y355-E357 PolarHBondContact O-N 2.9Å
356	R	87.8	Confident	88.8	Confident	15 Å²	15	77.4 Å²	77.4	6%	0.057	37%	0.366	C	S	.	.			trans	-73	127.5	179	-63.9	169	63	-173.1	3.8	109.5	I129 K130 S132 D136 R336 T353 Y354	I129-R356 WeakPolarHBondContact O-CD 3.41Å; I129-R356 PolarHBondContact O-NE 2.99Å; K130-R356 PolarHBondContact O-NE 3.39Å; K130-R356 PolarHBondContact O-NH2 3.44Å; S132-R356 PolarHBondContact O-NH1 3.16Å; S132-R356 PolarHBondContact O-NH2 3.34Å; D136-R356 IonicContact OD1-NH1 3.62Å; D136-R356 IonicContact OD2-CZ 2.68Å; D136-R356 IonicContact OD2-NH1 2.9Å; D136-R356 PolarHBondContact OD2-NH1 3.39Å; R336-R356 VanDerWaalsContact CZ-O 3.24Å; R336-R356 PolarHBondContact NH1-O 2.86Å; R336-R356 PolarHBondContact NH2-O 3.26Å; T353-R356 WeakPolarHBondContact O-CB 3.12Å; T353-R356 WeakPolarHBondContact O-CD 3.18Å; T353-R356 VanDerWaalsContact O-CG 3.24Å; T353-R356 WeakPolarHBondContact O-CG 3.4Å; T353-R356 PolarHBondContact O-N 3.43Å; Y354-R356 PolarHBondContact O-N 2.85Å; Y354-R356 VanDerWaalsContact O-N 3.07Å
357	E	72.4	Confident	88.4	Confident	171 Å²	171	73.7 Å²	73.7	80%	0.799	35%	0.349	S	S	*	.			trans	-78.8	168.5	168	-64.3	-175.7	173.5	0	0	110.4	Y355	Y355-E357 PolarHBondContact O-N 2.9Å
358	K	58.6	Low	87.9	Confident	256 Å²	256	72.4 Å²	72.4	100%	1.113	33%	0.325	S	S	*	.			trans	-86.9	0	-172.7	-146.2	-172.9	-172.2	-171.8	0	111.8

Retrieved 358 of 358 residues in 2642.2 ms (Link to these results)

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