A0A096MXP2_PAPAN Loading...

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

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

AlphaFold DB , UniProt , Accession A0A096MXP2, Species PAPAN (Papio anubis, Olive baboon), Gene PCMTD1, Length 357 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	66.4	Low	85.9	Confident	69 Å²	69	54.5 Å²	54.5	34%	0.34	37%	0.366	S	S	.	.				0	157.5	0	-76.3	-154.7	-69.1	0	0	110.7	A55 I68 V214 S215 F216	M1-A55 PolarHBondContact O-N 2.83Å; M1-A55 VanDerWaalsContact O-N 3.12Å; M1-I68 HydrophobicContact CB-CD1 4.49Å; M1-I68 HydrophobicContact CB-CG1 4.29Å; M1-I68 HydrophobicContact CE-CD1 3.79Å; M1-I68 HydrophobicContact CE-CG1 3.77Å; M1-I68 HydrophobicContact CE-CG2 4.16Å; M1-I68 HydrophobicContact SD-CD1 3.65Å; M1-I68 HydrophobicContact SD-CG1 4.15Å; M1-V214 HydrophobicContact CE-CB 3.88Å; M1-V214 HydrophobicContact CE-CG1 4.06Å; M1-V214 WeakPolarHBondContact SD-CA 3.41Å; M1-V214 HydrophobicContact SD-CB 3.22Å; M1-V214 WeakPolarHBondContact SD-CB 3.46Å; M1-V214 HydrophobicContact SD-CG1 3.4Å; M1-V214 WeakPolarHBondContact SD-CG1 3.22Å; M1-S215 WeakPolarHBondContact CE-O 3.49Å; M1-S215 WeakPolarHBondContact CG-O 3.44Å; M1-S215 PolarHBondContact SD-N 2.82Å; M1-F216 HydrophobicContact CE-CD1 4.35Å; M1-F216 HydrophobicContact CE-CD2 3.42Å; M1-F216 VanDerWaalsContact CE-CD2 3.42Å; M1-F216 HydrophobicContact CE-CE1 4.01Å; M1-F216 HydrophobicContact CE-CE2 3Å; M1-F216 HydrophobicContact CE-CG 4.1Å; M1-F216 HydrophobicContact CE-CZ 3.35Å; M1-F216 HydrophobicContact SD-CD2 4.45Å; M1-F216 HydrophobicContact SD-CE2 4.21Å
2	G	78.5	Confident	86.8	Confident	37 Å²	37	55.1 Å²	55.1	38%	0.381	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	118.3	-171.4	-176	0	0	0	0	0	112.1	D53	G2-D53 CarbonylContact C-O 3.54Å; G2-D53 WeakPolarHBondContact CA-O 3.42Å
3	G	79.1	Confident	87.6	Confident	58 Å²	58	53.6 Å²	53.6	60%	0.598	35%	0.35	S	S	*	.			trans	92.1	16.5	177.2	0	0	0	0	0	113.1	D53	G3-D53 PolarHBondContact N-O 2.9Å; G3-D53 PolarHBondContact N-OD2 2.93Å; G3-D53 VanDerWaalsContact N-OD2 3.09Å
4	A	79.1	Confident	88.3	Confident	47 Å²	47	49.9 Å²	49.9	39%	0.388	33%	0.325	S	S	.	.	S	Bend	trans	-79.1	-24.6	-179.9	0	0	0	0	0	112.5	Y23 D53 C67	A4-Y23 HydrophobicContact CB-CE2 3.54Å; A4-Y23 WeakPolarHBondContact CB-OH 3.25Å; A4-D53 PolarHBondContact N-OD2 2.94Å; A4-C67 HydrophobicContact CB-CB 4.36Å
5	V	88.6	Confident	88.9	Confident	23 Å²	23	46.5 Å²	46.5	14%	0.139	30%	0.304	C	S	.	.	S	Bend	trans	-132.5	160.3	179.8	-56.6	0	0	0	0	112.1	L14 N17 L18 A21 Y23 D53	V5-L14 HydrophobicContact CG2-CD1 4.44Å; V5-N17 HydrophobicContact CB-CB 4.07Å; V5-N17 HydrophobicContact CG2-CB 4.09Å; V5-L18 HydrophobicContact CG1-CD2 4.35Å; V5-L18 HydrophobicContact CG2-CD2 3.8Å; V5-L18 HydrophobicContact CG2-CG 4.22Å; V5-A21 HydrophobicContact CG1-CB 3.37Å; V5-Y23 HydrophobicContact CG1-CD2 4.14Å; V5-Y23 HydrophobicContact CG1-CE2 4.24Å; V5-D53 HydrophobicContact CG2-CB 3.54Å
6	S	86.1	Confident	89.4	Confident	67 Å²	67	46.8 Å²	46.8	47%	0.469	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-64.4	155.7	174.5	50.6	0	0	0	0	112.1	N17	S6-N17 PolarHBondContact O-ND2 3.3Å; S6-N17 PolarHBondContact OG-ND2 3.29Å
7	A	90.7	Very high	89.9	Confident	54 Å²	54	44.3 Å²	44.3	45%	0.446	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-62	144.2	170.3	0	0	0	0	0	111.1	N17 Y51 K52	A7-N17 PolarHBondContact O-ND2 2.98Å; A7-Y51 WeakPolarHBondContact CA-O 3.39Å; A7-K52 HydrophobicContact CB-CG 3.88Å
8	G	91.6	Very high	90.3	Very high	13 Å²	13	41.8 Å²	41.8	13%	0.134	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-91.2	159.5	166.3	0	0	0	0	0	111.5	Y51	G8-Y51 PolarHBondContact N-O 3.05Å
9	E	92.7	Very high	90.7	Very high	154 Å²	154	44.1 Å²	44.1	72%	0.72	28%	0.275	S	S	*	.	S	Bend	trans	-74.5	-33.5	169.3	-58.5	-177.8	170.9	0	0	110.6	D13 Y51	E9-D13 WeakPolarHBondContact CB-OD2 3.11Å; E9-D13 PolarHBondContact N-OD2 3.02Å; E9-Y51 WeakPolarHBondContact O-CD2 3.44Å
10	D	95.3	Very high	91	Very high	68 Å²	68	48.9 Å²	48.9	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-138.7	-172.5	175	63.6	31.7	0	0	0	112	D12 D13 L14	D10-D12 WeakPolarHBondContact OD1-CA 3.25Å; D10-D12 PolarHBondContact OD1-N 3Å; D10-D13 PolarHBondContact OD1-N 3.22Å; D10-L14 PolarHBondContact O-N 2.81Å; D10-L14 VanDerWaalsContact O-N 3.17Å
11	N	96.5	Very high	91.2	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-40.9	178.6	-171	76.7	0	0	0	112	L14 I15 F33 R38 Y51	N11-L14 WeakPolarHBondContact O-CB 3Å; N11-L14 PolarHBondContact O-N 2.8Å; N11-I15 WeakPolarHBondContact O-CG1 3.34Å; N11-I15 PolarHBondContact O-N 2.77Å; N11-F33 PolarHBondContact ND2-O 2.82Å; N11-R38 PolarHBondContact OD1-N 3.47Å; N11-Y51 HydrophobicContact CB-CD1 4.26Å; N11-Y51 HydrophobicContact CB-CE1 3.98Å
12	D	96.6	Very high	92.6	Very high	62 Å²	62	51.3 Å²	51.3	33%	0.332	31%	0.309	S	S	.	.	H	α-helix	trans	-68.4	-39.8	-176.3	-87.1	-32.5	0	0	0	111.9	D10 I15 D16 R34	D10-D12 WeakPolarHBondContact OD1-CA 3.25Å; D10-D12 PolarHBondContact OD1-N 3Å; D12-I15 PolarHBondContact O-N 3.06Å; D12-D16 PolarHBondContact O-N 3.44Å; D12-R34 PolarHBondContact O-NH1 3.07Å; D12-R34 VanDerWaalsContact O-NH1 3.1Å; D12-R34 WeakPolarHBondContact OD1-CD 3.32Å; D12-R34 VanDerWaalsContact OD1-CG 3.29Å; D12-R34 WeakPolarHBondContact OD1-CG 3.43Å; D12-R34 IonicContact OD1-CZ 3.54Å; D12-R34 IonicContact OD1-NE 3.61Å; D12-R34 IonicContact OD1-NH1 2.69Å; D12-R34 PolarHBondContact OD1-NH1 2.93Å
13	D	97.2	Very high	93.4	Very high	36 Å²	36	52.3 Å²	52.3	19%	0.193	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-40.2	172.2	-85.8	-5.1	0	0	0	112.3	E9 D10 I15 D16 N17	E9-D13 WeakPolarHBondContact CB-OD2 3.11Å; E9-D13 PolarHBondContact N-OD2 3.02Å; D10-D13 PolarHBondContact OD1-N 3.22Å; D13-I15 VanDerWaalsContact C-N 3.32Å; D13-D16 PolarHBondContact O-N 2.9Å; D13-N17 VanDerWaalsContact O-CG 3.25Å; D13-N17 PolarHBondContact O-N 3.36Å; D13-N17 PolarHBondContact O-ND2 3.34Å
14	L	97.4	Very high	94.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-42.3	173.5	170	64.4	0	0	0	110.6	V5 D10 N11 N17 L18 P66	V5-L14 HydrophobicContact CG2-CD1 4.44Å; D10-L14 PolarHBondContact O-N 2.81Å; D10-L14 VanDerWaalsContact O-N 3.17Å; N11-L14 WeakPolarHBondContact O-CB 3Å; N11-L14 PolarHBondContact O-N 2.8Å; L14-N17 WeakPolarHBondContact O-CB 3.41Å; L14-N17 PolarHBondContact O-N 3.44Å; L14-L18 HydrophobicContact CD1-CD1 4.17Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.11Å; L14-L18 WeakPolarHBondContact O-CG 3.21Å; L14-L18 PolarHBondContact O-N 2.96Å; L14-L18 VanDerWaalsContact O-N 3.09Å; L14-P66 HydrophobicContact CD1-CB 4.29Å; L14-P66 HydrophobicContact CD1-CG 4.22Å; L14-P66 HydrophobicContact CD2-CB 4.06Å; L14-P66 HydrophobicContact CD2-CG 3.68Å; L14-P66 HydrophobicContact CG-CB 4.49Å; L14-P66 HydrophobicContact CG-CG 4.47Å
15	I	97.9	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-40.4	179	-58.7	-29.2	0	0	0	110.7	N11 D12 D13 N17 L18 K19 I24 E30 F33 R34	N11-I15 WeakPolarHBondContact O-CG1 3.34Å; N11-I15 PolarHBondContact O-N 2.77Å; D12-I15 PolarHBondContact O-N 3.06Å; D13-I15 VanDerWaalsContact C-N 3.32Å; I15-N17 VanDerWaalsContact C-N 3.34Å; I15-N17 PolarHBondContact O-N 3Å; I15-L18 HydrophobicContact CD1-CD1 4.23Å; I15-L18 PolarHBondContact O-N 3.49Å; I15-K19 WeakPolarHBondContact O-CB 3.24Å; I15-K19 PolarHBondContact O-N 3.49Å; I15-I24 HydrophobicContact CG2-CD1 3.87Å; I15-E30 HydrophobicContact CG2-CG 4Å; I15-F33 HydrophobicContact CD1-CB 3.67Å; I15-F33 HydrophobicContact CD1-CD1 3.65Å; I15-F33 HydrophobicContact CD1-CG 4.09Å; I15-F33 HydrophobicContact CG1-CB 3.97Å; I15-F33 HydrophobicContact CG2-CB 4.45Å; I15-R34 HydrophobicContact CB-CG 4.22Å; I15-R34 HydrophobicContact CG1-CG 4.05Å; I15-R34 HydrophobicContact CG2-CG 3.95Å
16	D	97.5	Very high	95.6	Very high	51 Å²	51	55 Å²	55	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-58.1	-45.9	174.4	-79.5	-19.7	0	0	0	111.3	D12 D13 L18 K19 E20 R34	D12-D16 PolarHBondContact O-N 3.44Å; D13-D16 PolarHBondContact O-N 2.9Å; D16-L18 PolarHBondContact O-N 2.7Å; D16-K19 PolarHBondContact O-N 2.89Å; D16-E20 WeakPolarHBondContact O-CG 3.33Å; D16-E20 PolarHBondContact O-N 3.18Å; D16-R34 IonicContact OD1-CZ 2.83Å; D16-R34 IonicContact OD1-NH1 3.04Å; D16-R34 IonicContact OD1-NH2 3.34Å; D16-R34 PolarHBondContact OD1-NH2 2.9Å
17	N	97	Very high	96.1	Very high	4 Å²	4	58 Å²	58	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-44.8	176	-69.8	-19.7	0	0	0	112.8	V5 S6 A7 D13 L14 I15 K19 E20 A21 R278	V5-N17 HydrophobicContact CB-CB 4.07Å; V5-N17 HydrophobicContact CG2-CB 4.09Å; S6-N17 PolarHBondContact O-ND2 3.3Å; S6-N17 PolarHBondContact OG-ND2 3.29Å; A7-N17 PolarHBondContact O-ND2 2.98Å; D13-N17 VanDerWaalsContact O-CG 3.25Å; D13-N17 PolarHBondContact O-N 3.36Å; D13-N17 PolarHBondContact O-ND2 3.34Å; L14-N17 WeakPolarHBondContact O-CB 3.41Å; L14-N17 PolarHBondContact O-N 3.44Å; I15-N17 VanDerWaalsContact C-N 3.34Å; I15-N17 PolarHBondContact O-N 3Å; N17-K19 VanDerWaalsContact C-N 3.3Å; N17-K19 PolarHBondContact O-N 3.39Å; N17-E20 PolarHBondContact O-N 3.39Å; N17-A21 WeakPolarHBondContact O-CB 3.37Å; N17-A21 PolarHBondContact O-N 3.45Å; N17-R278 PolarHBondContact ND2-NH2 2.86Å; N17-R278 PolarHBondContact OD1-NH1 3.41Å; N17-R278 PolarHBondContact OD1-NH2 3.24Å
18	L	97.6	Very high	96.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-34.2	179.1	-69.7	166	0	0	0	112.1	V5 L14 I15 D16 Q22 Y23 I24 P66 C67	V5-L18 HydrophobicContact CG1-CD2 4.35Å; V5-L18 HydrophobicContact CG2-CD2 3.8Å; V5-L18 HydrophobicContact CG2-CG 4.22Å; L14-L18 HydrophobicContact CD1-CD1 4.17Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.11Å; L14-L18 WeakPolarHBondContact O-CG 3.21Å; L14-L18 PolarHBondContact O-N 2.96Å; L14-L18 VanDerWaalsContact O-N 3.09Å; I15-L18 HydrophobicContact CD1-CD1 4.23Å; I15-L18 PolarHBondContact O-N 3.49Å; D16-L18 PolarHBondContact O-N 2.7Å; L18-Q22 PolarHBondContact O-N 3.16Å; L18-Y23 HydrophobicContact CD2-CD2 4.44Å; L18-Y23 HydrophobicContact CD2-CG 4.48Å; L18-Y23 WeakPolarHBondContact O-CB 3.42Å; L18-Y23 PolarHBondContact O-N 3.25Å; L18-I24 HydrophobicContact CB-CD1 3.82Å; L18-I24 HydrophobicContact CB-CG1 4.04Å; L18-I24 HydrophobicContact CD1-CD1 4.08Å; L18-I24 PolarHBondContact O-N 3.43Å; L18-P66 HydrophobicContact CD1-CB 3.66Å; L18-P66 HydrophobicContact CD2-CB 4.31Å; L18-C67 HydrophobicContact CD2-CB 3.99Å
19	K	96.9	Very high	96.7	Very high	85 Å²	85	59.8 Å²	59.8	37%	0.37	29%	0.287	S	S	.	.	H	α-helix	trans	-73	-45.5	176.5	-175.7	176.5	176.6	173.6	0	111.8	I15 D16 N17 A21 Q22 E30	I15-K19 WeakPolarHBondContact O-CB 3.24Å; I15-K19 PolarHBondContact O-N 3.49Å; D16-K19 PolarHBondContact O-N 2.89Å; N17-K19 VanDerWaalsContact C-N 3.3Å; N17-K19 PolarHBondContact O-N 3.39Å; K19-A21 VanDerWaalsContact C-N 3.25Å; K19-A21 PolarHBondContact O-N 2.99Å; K19-Q22 PolarHBondContact O-N 3.03Å; K19-Q22 PolarHBondContact O-NE2 2.61Å; K19-Q22 VanDerWaalsContact O-NE2 3.09Å; K19-E30 WeakPolarHBondContact CE-OE2 3.5Å; K19-E30 IonicContact NZ-OE1 3.96Å; K19-E30 PolarHBondContact NZ-OE1 2.93Å; K19-E30 IonicContact NZ-OE2 3.22Å; K19-E30 PolarHBondContact NZ-OE2 3.5Å
20	E	96.6	Very high	96.9	Very high	140 Å²	140	53.9 Å²	53.9	65%	0.654	26%	0.259	S	S	*	.	H	α-helix	trans	-57.1	-42.2	174.6	-74.3	-177.1	168.5	0	0	111.1	D16 N17 Q22 R278	D16-E20 WeakPolarHBondContact O-CG 3.33Å; D16-E20 PolarHBondContact O-N 3.18Å; N17-E20 PolarHBondContact O-N 3.39Å; E20-Q22 PolarHBondContact O-N 3.33Å; E20-R278 IonicContact OE2-NH1 2.56Å
21	A	95.4	Very high	97.1	Very high	46 Å²	46	54 Å²	54	38%	0.38	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	6.3	176.5	0	0	0	0	0	115	V5 N17 K19 Y23	V5-A21 HydrophobicContact CG1-CB 3.37Å; N17-A21 WeakPolarHBondContact O-CB 3.37Å; N17-A21 PolarHBondContact O-N 3.45Å; K19-A21 VanDerWaalsContact C-N 3.25Å; K19-A21 PolarHBondContact O-N 2.99Å; A21-Y23 VanDerWaalsContact C-N 3.27Å; A21-Y23 HydrophobicContact CB-CD2 3.77Å; A21-Y23 HydrophobicContact CB-CE2 4.07Å; A21-Y23 PolarHBondContact O-N 3.12Å
22	Q	95.6	Very high	97.1	Very high	122 Å²	122	53.6 Å²	53.6	57%	0.57	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	20.5	176	-57.4	-64.2	-64.2	0	0	116.1	L18 K19 E20 R25	L18-Q22 PolarHBondContact O-N 3.16Å; K19-Q22 PolarHBondContact O-N 3.03Å; K19-Q22 PolarHBondContact O-NE2 2.61Å; K19-Q22 VanDerWaalsContact O-NE2 3.09Å; E20-Q22 PolarHBondContact O-N 3.33Å; Q22-R25 VanDerWaalsContact O-CG 3.3Å; Q22-R25 WeakPolarHBondContact O-CG 3.49Å; Q22-R25 PolarHBondContact O-NH1 3.13Å
23	Y	96.7	Very high	97.2	Very high	58 Å²	58	50.7 Å²	50.7	23%	0.227	24%	0.24	C	C	.	.	S	Bend	trans	-77.8	-38.8	170.1	-75.1	-75.9	0	0	0	111.8	A4 V5 L18 A21 C67 E71	A4-Y23 HydrophobicContact CB-CE2 3.54Å; A4-Y23 WeakPolarHBondContact CB-OH 3.25Å; V5-Y23 HydrophobicContact CG1-CD2 4.14Å; V5-Y23 HydrophobicContact CG1-CE2 4.24Å; L18-Y23 HydrophobicContact CD2-CD2 4.44Å; L18-Y23 HydrophobicContact CD2-CG 4.48Å; L18-Y23 WeakPolarHBondContact O-CB 3.42Å; L18-Y23 PolarHBondContact O-N 3.25Å; A21-Y23 VanDerWaalsContact C-N 3.27Å; A21-Y23 HydrophobicContact CB-CD2 3.77Å; A21-Y23 HydrophobicContact CB-CE2 4.07Å; A21-Y23 PolarHBondContact O-N 3.12Å; Y23-C67 HydrophobicContact CD1-CB 3.91Å; Y23-C67 HydrophobicContact CD2-CB 4.35Å; Y23-C67 HydrophobicContact CE1-CB 3.98Å; Y23-C67 HydrophobicContact CE2-CB 4.44Å; Y23-C67 HydrophobicContact CG-CB 4.1Å; Y23-E71 HydrophobicContact CD1-CG 3.78Å; Y23-E71 HydrophobicContact CE1-CG 4.24Å
24	I	97.9	Very high	97.2	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	24%	0.24	C	C	.	.			trans	-101.4	121.4	170.2	-64.7	175	0	0	0	107.7	I15 L18 V29 E30 F33 S70	I15-I24 HydrophobicContact CG2-CD1 3.87Å; L18-I24 HydrophobicContact CB-CD1 3.82Å; L18-I24 HydrophobicContact CB-CG1 4.04Å; L18-I24 HydrophobicContact CD1-CD1 4.08Å; L18-I24 PolarHBondContact O-N 3.43Å; I24-V29 HydrophobicContact CG1-CG1 4.36Å; I24-V29 HydrophobicContact CG2-CB 4.49Å; I24-V29 HydrophobicContact CG2-CG1 4.21Å; I24-E30 HydrophobicContact CG2-CB 3.73Å; I24-F33 HydrophobicContact CD1-CB 4.24Å; I24-F33 HydrophobicContact CD1-CD1 4.29Å; I24-F33 HydrophobicContact CD1-CD2 4.12Å; I24-F33 HydrophobicContact CD1-CG 3.97Å; I24-S70 WeakPolarHBondContact CG1-OG 3.25Å
25	R	97.1	Very high	97.2	Very high	122 Å²	122	51.8 Å²	51.8	46%	0.46	24%	0.243	S	C	.	.			trans	-122.1	-30	-170.1	-63.2	177.4	-79	-111.3	3.6	112.3	Q22 E71 E74	Q22-R25 VanDerWaalsContact O-CG 3.3Å; Q22-R25 WeakPolarHBondContact O-CG 3.49Å; Q22-R25 PolarHBondContact O-NH1 3.13Å; R25-E71 IonicContact CZ-OE1 2.78Å; R25-E71 IonicContact CZ-OE2 2.79Å; R25-E71 IonicContact NH1-OE1 3.6Å; R25-E71 PolarHBondContact NH1-OE1 3.36Å; R25-E71 IonicContact NH1-OE2 2.68Å; R25-E71 IonicContact NH2-OE1 2.69Å; R25-E71 PolarHBondContact NH2-OE1 3.33Å; R25-E71 IonicContact NH2-OE2 3.29Å; R25-E71 PolarHBondContact NH2-OE2 3.12Å; R25-E74 PolarHBondContact N-OE1 3.5Å
26	T	97.7	Very high	97.1	Very high	61 Å²	61	51.9 Å²	51.9	37%	0.374	24%	0.243	S	C	.	.	S	Bend	trans	-106.2	140	-177.2	59.9	0	0	0	0	111.6	R28 V29 E30 E74	T26-R28 PolarHBondContact O-N 3.37Å; T26-V29 PolarHBondContact O-N 2.72Å; T26-V29 VanDerWaalsContact O-N 3.13Å; T26-V29 WeakPolarHBondContact OG1-CB 3.14Å; T26-V29 WeakPolarHBondContact OG1-CG2 3.42Å; T26-E30 PolarHBondContact O-N 3.09Å; T26-E74 WeakPolarHBondContact CG2-OE2 3.49Å; T26-E74 PolarHBondContact N-OE1 3.47Å; T26-E74 PolarHBondContact OG1-OE1 3.27Å; T26-E74 PolarHBondContact OG1-OE2 2.96Å
27	E	96.5	Very high	97.1	Very high	131 Å²	131	51.3 Å²	51.3	61%	0.612	24%	0.24	S	C	*	.	H	α-helix	trans	-56.9	-37.8	-179.7	-174	-176.8	178.7	0	0	112.1	V29 E30 Q31	E27-V29 PolarHBondContact O-N 2.93Å; E27-E30 PolarHBondContact O-N 3.3Å; E27-Q31 HydrophobicContact CG-CG 4.33Å; E27-Q31 WeakPolarHBondContact O-CB 3.3Å; E27-Q31 VanDerWaalsContact O-CG 3.26Å; E27-Q31 WeakPolarHBondContact O-CG 3.12Å; E27-Q31 PolarHBondContact O-N 2.75Å; E27-Q31 PolarHBondContact OE1-NE2 3.47Å
28	R	96.1	Very high	97.1	Very high	97 Å²	97	51.1 Å²	51.1	37%	0.366	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-39.1	179.8	-168.7	177.6	-56.2	145.9	-6.3	112.8	T26 A32 L78 Q79 I101	T26-R28 PolarHBondContact O-N 3.37Å; R28-A32 PolarHBondContact O-N 3.37Å; R28-A32 VanDerWaalsContact O-N 3.16Å; R28-L78 PolarHBondContact NH1-O 2.67Å; R28-L78 VanDerWaalsContact NH1-O 3.16Å; R28-Q79 VanDerWaalsContact NH1-NE2 3.14Å; R28-I101 HydrophobicContact CG-CD1 4.2Å; R28-I101 HydrophobicContact CG-CG1 3.97Å; R28-I101 HydrophobicContact CG-CG2 4.29Å
29	V	98.2	Very high	97.1	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-45.4	175.7	173	0	0	0	0	109.5	I24 T26 E27 Q31 A32 F33 M73	I24-V29 HydrophobicContact CG1-CG1 4.36Å; I24-V29 HydrophobicContact CG2-CB 4.49Å; I24-V29 HydrophobicContact CG2-CG1 4.21Å; T26-V29 PolarHBondContact O-N 2.72Å; T26-V29 VanDerWaalsContact O-N 3.13Å; T26-V29 WeakPolarHBondContact OG1-CB 3.14Å; T26-V29 WeakPolarHBondContact OG1-CG2 3.42Å; E27-V29 PolarHBondContact O-N 2.93Å; V29-Q31 PolarHBondContact O-N 2.99Å; V29-A32 PolarHBondContact O-N 3.24Å; V29-F33 HydrophobicContact CG1-CD2 3.74Å; V29-F33 HydrophobicContact CG1-CE2 3.79Å; V29-F33 WeakPolarHBondContact O-CD2 3.28Å; V29-F33 PolarHBondContact O-N 2.87Å; V29-M73 HydrophobicContact CG1-CB 3.91Å; V29-M73 HydrophobicContact CG2-CB 4.07Å
30	E	98.3	Very high	97.1	Very high	29 Å²	29	50.8 Å²	50.8	14%	0.136	24%	0.242	C	C	.	.	H	α-helix	trans	-54.2	-51.2	174.7	-177.7	179.2	-178.1	0	0	112.1	I15 K19 I24 T26 E27 A32 F33 R34	I15-E30 HydrophobicContact CG2-CG 4Å; K19-E30 WeakPolarHBondContact CE-OE2 3.5Å; K19-E30 IonicContact NZ-OE1 3.96Å; K19-E30 PolarHBondContact NZ-OE1 2.93Å; K19-E30 IonicContact NZ-OE2 3.22Å; K19-E30 PolarHBondContact NZ-OE2 3.5Å; I24-E30 HydrophobicContact CG2-CB 3.73Å; T26-E30 PolarHBondContact O-N 3.09Å; E27-E30 PolarHBondContact O-N 3.3Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 2.9Å; E30-F33 PolarHBondContact O-N 2.93Å; E30-R34 WeakPolarHBondContact O-CG 3.47Å; E30-R34 PolarHBondContact O-N 3.13Å; E30-R34 IonicContact OE1-CZ 3.84Å; E30-R34 IonicContact OE1-NE 3.73Å; E30-R34 PolarHBondContact OE1-NE 3.19Å; E30-R34 IonicContact OE1-NH2 3.95Å; E30-R34 PolarHBondContact OE1-NH2 2.87Å
31	Q	97.5	Very high	97.1	Very high	70 Å²	70	44.4 Å²	44.4	33%	0.327	21%	0.212	S	C	.	.	H	α-helix	trans	-58	-41.1	179.4	-75	175.3	0.9	0	0	112.1	E27 V29 A35 F138	E27-Q31 HydrophobicContact CG-CG 4.33Å; E27-Q31 WeakPolarHBondContact O-CB 3.3Å; E27-Q31 VanDerWaalsContact O-CG 3.26Å; E27-Q31 WeakPolarHBondContact O-CG 3.12Å; E27-Q31 PolarHBondContact O-N 2.75Å; E27-Q31 PolarHBondContact OE1-NE2 3.47Å; V29-Q31 PolarHBondContact O-N 2.99Å; Q31-A35 WeakPolarHBondContact O-CB 3.47Å; Q31-A35 PolarHBondContact O-N 2.86Å; Q31-F138 HydrophobicContact CB-CE1 4.27Å; Q31-F138 HydrophobicContact CB-CZ 4.22Å
32	A	97.9	Very high	97.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-41.3	177.8	0	0	0	0	0	112.4	R28 V29 E30 A35 I36 M73 M97 I101	R28-A32 PolarHBondContact O-N 3.37Å; R28-A32 VanDerWaalsContact O-N 3.16Å; V29-A32 PolarHBondContact O-N 3.24Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 2.9Å; A32-A35 PolarHBondContact O-N 3.46Å; A32-I36 PolarHBondContact O-N 2.56Å; A32-M73 HydrophobicContact CB-CE 4.15Å; A32-M97 HydrophobicContact CB-CB 4.41Å; A32-I101 HydrophobicContact CB-CD1 4.05Å; A32-I101 HydrophobicContact CB-CG1 4.02Å
33	F	98.3	Very high	97.1	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-37.4	177.3	-95.2	-93.5	0	0	0	112.9	N11 I15 I24 V29 E30 I36 S70 M73 M97	N11-F33 PolarHBondContact ND2-O 2.82Å; I15-F33 HydrophobicContact CD1-CB 3.67Å; I15-F33 HydrophobicContact CD1-CD1 3.65Å; I15-F33 HydrophobicContact CD1-CG 4.09Å; I15-F33 HydrophobicContact CG1-CB 3.97Å; I15-F33 HydrophobicContact CG2-CB 4.45Å; I24-F33 HydrophobicContact CD1-CB 4.24Å; I24-F33 HydrophobicContact CD1-CD1 4.29Å; I24-F33 HydrophobicContact CD1-CD2 4.12Å; I24-F33 HydrophobicContact CD1-CG 3.97Å; V29-F33 HydrophobicContact CG1-CD2 3.74Å; V29-F33 HydrophobicContact CG1-CE2 3.79Å; V29-F33 WeakPolarHBondContact O-CD2 3.28Å; V29-F33 PolarHBondContact O-N 2.87Å; E30-F33 PolarHBondContact O-N 2.93Å; F33-I36 VanDerWaalsContact O-O 3.14Å; F33-S70 WeakPolarHBondContact CZ-OG 3.44Å; F33-M73 HydrophobicContact CE2-CB 4.39Å; F33-M73 HydrophobicContact CE2-CG 4.04Å; F33-M97 HydrophobicContact CD1-SD 3.94Å; F33-M97 HydrophobicContact CD2-SD 3.91Å; F33-M97 HydrophobicContact CE1-CE 4.31Å; F33-M97 HydrophobicContact CE1-SD 4.11Å; F33-M97 HydrophobicContact CE2-CE 4.39Å; F33-M97 HydrophobicContact CE2-SD 4.07Å; F33-M97 HydrophobicContact CG-SD 3.86Å; F33-M97 HydrophobicContact CZ-CE 4.14Å; F33-M97 HydrophobicContact CZ-SD 4.16Å
34	R	97.7	Very high	96.6	Very high	53 Å²	53	45.3 Å²	45.3	20%	0.2	21%	0.212	C	C	.	.	H	α-helix	trans	-72.5	-33.2	174.7	-65.9	-169.4	-173.8	-77.7	-1.3	112.7	D12 I15 D16 E30 I36	D12-R34 PolarHBondContact O-NH1 3.07Å; D12-R34 VanDerWaalsContact O-NH1 3.1Å; D12-R34 WeakPolarHBondContact OD1-CD 3.32Å; D12-R34 VanDerWaalsContact OD1-CG 3.29Å; D12-R34 WeakPolarHBondContact OD1-CG 3.43Å; D12-R34 IonicContact OD1-CZ 3.54Å; D12-R34 IonicContact OD1-NE 3.61Å; D12-R34 IonicContact OD1-NH1 2.69Å; D12-R34 PolarHBondContact OD1-NH1 2.93Å; I15-R34 HydrophobicContact CB-CG 4.22Å; I15-R34 HydrophobicContact CG1-CG 4.05Å; I15-R34 HydrophobicContact CG2-CG 3.95Å; D16-R34 IonicContact OD1-CZ 2.83Å; D16-R34 IonicContact OD1-NH1 3.04Å; D16-R34 IonicContact OD1-NH2 3.34Å; D16-R34 PolarHBondContact OD1-NH2 2.9Å; E30-R34 WeakPolarHBondContact O-CG 3.47Å; E30-R34 PolarHBondContact O-N 3.13Å; E30-R34 IonicContact OE1-CZ 3.84Å; E30-R34 IonicContact OE1-NE 3.73Å; E30-R34 PolarHBondContact OE1-NE 3.19Å; E30-R34 IonicContact OE1-NH2 3.95Å; E30-R34 PolarHBondContact OE1-NH2 2.87Å; R34-I36 PolarHBondContact O-N 3.34Å
35	A	96.7	Very high	96.2	Very high	7 Å²	7	48.5 Å²	48.5	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-22.3	-177.1	0	0	0	0	0	113.5	Q31 A32 L100 S134 F138	Q31-A35 WeakPolarHBondContact O-CB 3.47Å; Q31-A35 PolarHBondContact O-N 2.86Å; A32-A35 PolarHBondContact O-N 3.46Å; A35-L100 HydrophobicContact CB-CD1 3.51Å; A35-S134 WeakPolarHBondContact O-CB 3.47Å; A35-S134 PolarHBondContact O-OG 3.09Å; A35-F138 HydrophobicContact CB-CD2 4.05Å; A35-F138 HydrophobicContact CB-CE2 3.43Å; A35-F138 VanDerWaalsContact CB-CE2 3.43Å; A35-F138 HydrophobicContact CB-CZ 3.78Å
36	I	97	Very high	95.9	Very high	3 Å²	3	47 Å²	47	2%	0.015	24%	0.24	C	C	.	.	S	Bend	trans	-124.6	105.7	-176.8	-54.8	-172.8	0	0	0	108.6	A32 F33 R34 R38 Y41 Y93 T96 M97 L100 F128	A32-I36 PolarHBondContact O-N 2.56Å; F33-I36 VanDerWaalsContact O-O 3.14Å; R34-I36 PolarHBondContact O-N 3.34Å; I36-R38 PolarHBondContact O-N 3.44Å; I36-Y41 HydrophobicContact CG2-CD2 4.06Å; I36-Y41 HydrophobicContact CG2-CE2 3.37Å; I36-Y93 HydrophobicContact CB-CE2 4.27Å; I36-Y93 HydrophobicContact CG2-CD2 3.88Å; I36-Y93 HydrophobicContact CG2-CE2 3.67Å; I36-T96 VanDerWaalsContact CD1-C 3.4Å; I36-T96 HydrophobicContact CD1-CG2 3.42Å; I36-T96 VanDerWaalsContact CD1-CG2 3.42Å; I36-M97 HydrophobicContact CB-CG 4.12Å; I36-M97 HydrophobicContact CD1-CB 4.21Å; I36-M97 HydrophobicContact CD1-CG 3.7Å; I36-M97 VanDerWaalsContact CD1-N 3.31Å; I36-M97 HydrophobicContact CG1-CG 4.24Å; I36-L100 HydrophobicContact CD1-CD1 3.62Å; I36-L100 HydrophobicContact CD1-CG 4.19Å; I36-L100 HydrophobicContact CG1-CD1 3.6Å; I36-F128 HydrophobicContact CD1-CE2 4.44Å; I36-F128 HydrophobicContact CG1-CE2 4Å; I36-F128 HydrophobicContact CG1-CZ 4.44Å
37	D	96.9	Very high	95.7	Very high	39 Å²	39	48.4 Å²	48.4	21%	0.209	24%	0.238	C	C	.	.			trans	-64.4	119.2	175.7	-173.2	-30	0	0	0	109.6	G39 D40 R47 Y51	D37-G39 PolarHBondContact O-N 3.07Å; D37-G39 WeakPolarHBondContact OD1-CA 3.36Å; D37-G39 PolarHBondContact OD1-N 2.83Å; D37-D40 WeakPolarHBondContact O-CB 2.97Å; D37-D40 PolarHBondContact O-N 2.86Å; D37-D40 VanDerWaalsContact O-N 3.16Å; D37-R47 IonicContact OD1-NH2 3.63Å; D37-R47 IonicContact OD2-NH2 2.77Å; D37-R47 PolarHBondContact OD2-NH2 2.9Å; D37-Y51 VanDerWaalsContact OD1-CE1 3.3Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.4Å; D37-Y51 PolarHBondContact OD1-OH 3.1Å; D37-Y51 PolarHBondContact OD2-OH 2.72Å
38	R	97.3	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57	-35.2	177	-179.2	173.2	170.4	92.7	0.2	112.8	N11 I36 D40 Y41 Y42 A50 L54 L63 S64 Y93	N11-R38 PolarHBondContact OD1-N 3.47Å; I36-R38 PolarHBondContact O-N 3.44Å; R38-D40 PolarHBondContact O-N 3.49Å; R38-Y41 PolarHBondContact O-N 2.83Å; R38-Y41 VanDerWaalsContact O-N 3.15Å; R38-Y42 HydrophobicContact CG-CE2 4.11Å; R38-Y42 WeakPolarHBondContact O-CD2 3.34Å; R38-A50 WeakPolarHBondContact CD-O 3.4Å; R38-A50 PolarHBondContact NE-O 2.89Å; R38-A50 VanDerWaalsContact NE-O 3.07Å; R38-L54 PolarHBondContact NH2-O 2.76Å; R38-L54 VanDerWaalsContact NH2-O 3.17Å; R38-L63 HydrophobicContact CG-CD2 4.35Å; R38-S64 VanDerWaalsContact CZ-O 3.3Å; R38-S64 PolarHBondContact NH1-O 3.27Å; R38-S64 PolarHBondContact NH2-O 3.26Å; R38-Y93 HydrophobicContact CB-CE2 4.1Å; R38-Y93 HydrophobicContact CG-CE1 4.43Å
39	G	96.6	Very high	94.9	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.031	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-62.9	-28.5	178.8	0	0	0	0	0	113.5	D37 Y41 Y42	D37-G39 PolarHBondContact O-N 3.07Å; D37-G39 WeakPolarHBondContact OD1-CA 3.36Å; D37-G39 PolarHBondContact OD1-N 2.83Å; G39-Y41 PolarHBondContact O-N 3.33Å; G39-Y42 PolarHBondContact O-N 3.03Å; G39-Y42 VanDerWaalsContact O-N 3.16Å
40	D	96.6	Very high	94.7	Very high	75 Å²	75	47.2 Å²	47.2	40%	0.401	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-68.6	-19.2	177	-69	-14.1	0	0	0	112.3	D37 R38 R47 K124	D37-D40 WeakPolarHBondContact O-CB 2.97Å; D37-D40 PolarHBondContact O-N 2.86Å; D37-D40 VanDerWaalsContact O-N 3.16Å; R38-D40 PolarHBondContact O-N 3.49Å; D40-R47 IonicContact OD1-CZ 2.65Å; D40-R47 VanDerWaalsContact OD1-CZ 3.29Å; D40-R47 IonicContact OD1-NH1 2.79Å; D40-R47 PolarHBondContact OD1-NH1 3.43Å; D40-R47 IonicContact OD1-NH2 3.35Å; D40-R47 PolarHBondContact OD1-NH2 2.92Å; D40-K124 VanDerWaalsContact O-CD 3.23Å; D40-K124 WeakPolarHBondContact O-CD 3.39Å; D40-K124 WeakPolarHBondContact O-CE 3.33Å; D40-K124 PolarHBondContact O-NZ 3.4Å
41	Y	97.1	Very high	94.7	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.02	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-94.6	-2.4	177.5	-74.1	-103.2	0	0	0	113.4	I36 R38 G39 T91 Y93 T96 Y120 K124	I36-Y41 HydrophobicContact CG2-CD2 4.06Å; I36-Y41 HydrophobicContact CG2-CE2 3.37Å; R38-Y41 PolarHBondContact O-N 2.83Å; R38-Y41 VanDerWaalsContact O-N 3.15Å; G39-Y41 PolarHBondContact O-N 3.33Å; Y41-T91 WeakPolarHBondContact CD1-O 3.32Å; Y41-Y93 HydrophobicContact CD1-CD2 4.21Å; Y41-Y93 HydrophobicContact CD1-CG 4.4Å; Y41-Y93 AromaticContact CD2-CD2 3.52Å; Y41-Y93 HydrophobicContact CD2-CD2 3.52Å; Y41-Y93 HydrophobicContact CD2-CE2 4.28Å; Y41-Y93 HydrophobicContact CD2-CG 4.42Å; Y41-Y93 VanDerWaalsContact CE1-CA 3.46Å; Y41-Y93 AromaticContact CE2-CD2 3.93Å; Y41-Y93 HydrophobicContact CE2-CD2 3.93Å; Y41-Y93 AromaticContact CG-CD2 3.68Å; Y41-Y93 HydrophobicContact CG-CD2 3.68Å; Y41-Y93 HydrophobicContact CG-CG 4.15Å; Y41-T96 WeakPolarHBondContact OH-CB 3.4Å; Y41-T96 VanDerWaalsContact OH-CG2 3.26Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.37Å; Y41-T96 PolarHBondContact OH-OG1 2.85Å; Y41-Y120 PolarHBondContact O-OH 3.24Å; Y41-K124 HydrophobicContact CD1-CB 3.8Å; Y41-K124 HydrophobicContact CD1-CG 4.13Å; Y41-K124 HydrophobicContact CE1-CB 3.66Å; Y41-K124 HydrophobicContact CE1-CG 4.48Å
42	Y	96.1	Very high	94.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.016	24%	0.243	C	C	.	.	S	Bend	trans	-81.9	161	169.2	-85.6	-119.3	0	0	0	111.2	R38 G39 Y46 N49 A50 W56 L63 Y120 K124	R38-Y42 HydrophobicContact CG-CE2 4.11Å; R38-Y42 WeakPolarHBondContact O-CD2 3.34Å; G39-Y42 PolarHBondContact O-N 3.03Å; G39-Y42 VanDerWaalsContact O-N 3.16Å; Y42-Y46 VanDerWaalsContact CD1-O 3.25Å; Y42-Y46 WeakPolarHBondContact CD1-O 3.09Å; Y42-N49 HydrophobicContact CE1-CB 4.46Å; Y42-N49 PolarHBondContact OH-O 3.46Å; Y42-A50 HydrophobicContact CD1-CB 4.39Å; Y42-A50 HydrophobicContact CD2-CB 3.76Å; Y42-A50 HydrophobicContact CE1-CB 4.38Å; Y42-A50 HydrophobicContact CE2-CB 3.77Å; Y42-A50 HydrophobicContact CG-CB 4.09Å; Y42-W56 AromaticContact CD1-CD2 3.64Å; Y42-W56 HydrophobicContact CD1-CD2 3.64Å; Y42-W56 AromaticContact CD1-CE2 3.82Å; Y42-W56 AromaticContact CD1-CE3 3.84Å; Y42-W56 HydrophobicContact CD1-CE3 3.84Å; Y42-W56 HydrophobicContact CD1-CG 4.06Å; Y42-W56 HydrophobicContact CD1-CH2 4.36Å; Y42-W56 HydrophobicContact CD1-CZ2 4.19Å; Y42-W56 HydrophobicContact CD1-CZ3 4.19Å; Y42-W56 HydrophobicContact CD2-CE3 4.37Å; Y42-W56 HydrophobicContact CE1-CB 3.67Å; Y42-W56 AromaticContact CE1-CD1 3.76Å; Y42-W56 AromaticContact CE1-CD2 3.39Å; Y42-W56 HydrophobicContact CE1-CD2 3.39Å; Y42-W56 AromaticContact CE1-CE2 3.9Å; Y42-W56 AromaticContact CE1-CE3 3.82Å; Y42-W56 HydrophobicContact CE1-CE3 3.82Å; Y42-W56 AromaticContact CE1-CG 3.32Å; Y42-W56 HydrophobicContact CE1-CG 3.32Å; Y42-W56 HydrophobicContact CE2-CE3 4.33Å; Y42-W56 HydrophobicContact CG-CD2 4.4Å; Y42-W56 HydrophobicContact CG-CE3 4.14Å; Y42-W56 HydrophobicContact CG-CZ3 4.22Å; Y42-W56 AromaticContact CZ-CD2 3.95Å; Y42-W56 AromaticContact CZ-CG 3.77Å; Y42-W56 WeakPolarHBondContact OH-CB 3.33Å; Y42-L63 HydrophobicContact CD2-CD2 4.08Å; Y42-L63 HydrophobicContact CE2-CD2 3.77Å; Y42-Y120 PolarHBondContact O-OH 3.43Å; Y42-Y120 VanDerWaalsContact O-OH 3.08Å; Y42-K124 PolarHBondContact O-NZ 3.48Å
43	L	94.1	Very high	94.4	Very high	49 Å²	49	47.8 Å²	47.8	26%	0.257	24%	0.243	S	C	.	.			trans	-69.1	144.8	163.8	-72.9	168.4	0	0	0	108.9	G45 Y46 W56 H58 I61 Y120	L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 2.86Å; L43-G45 VanDerWaalsContact O-N 3.11Å; L43-Y46 HydrophobicContact CB-CD2 3.76Å; L43-Y46 HydrophobicContact CB-CE2 4.45Å; L43-Y46 HydrophobicContact CD1-CD2 4.43Å; L43-Y46 HydrophobicContact CD1-CE2 4.47Å; L43-Y46 PolarHBondContact O-N 3.37Å; L43-W56 HydrophobicContact CB-CH2 3.94Å; L43-W56 HydrophobicContact CB-CZ2 4.16Å; L43-W56 HydrophobicContact CD1-CH2 3.85Å; L43-W56 HydrophobicContact CD1-CZ2 4.04Å; L43-W56 HydrophobicContact CG-CH2 3.75Å; L43-W56 HydrophobicContact CG-CZ2 4.27Å; L43-H58 HydrophobicContact CD1-CB 4.12Å; L43-I61 HydrophobicContact CD1-CD1 4.45Å; L43-I61 HydrophobicContact CD2-CD1 4.46Å; L43-Y120 HydrophobicContact CD2-CE2 3.71Å; L43-Y120 HydrophobicContact CG-CE2 4.41Å; L43-Y120 PolarHBondContact N-OH 2.95Å
44	E	86.8	Confident	94.3	Very high	193 Å²	193	51.8 Å²	51.8	90%	0.902	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-52.7	-38.9	-169.3	-168.6	167.8	-164.3	0	0	113.6	Y46	E44-Y46 VanDerWaalsContact C-N 3.31Å; E44-Y46 PolarHBondContact O-N 3.29Å
45	G	89.3	Confident	94.1	Very high	68 Å²	68	51.1 Å²	51.1	70%	0.701	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-80.8	3.9	178.3	0	0	0	0	0	116.4	L43	L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 2.86Å; L43-G45 VanDerWaalsContact O-N 3.11Å
46	Y	92.1	Very high	94	Very high	92 Å²	92	51.9 Å²	51.9	36%	0.361	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-123	5.4	-174.1	-65.6	-85.4	0	0	0	113.9	Y42 L43 E44 D48 N49 W56 H58	Y42-Y46 VanDerWaalsContact CD1-O 3.25Å; Y42-Y46 WeakPolarHBondContact CD1-O 3.09Å; L43-Y46 HydrophobicContact CB-CD2 3.76Å; L43-Y46 HydrophobicContact CB-CE2 4.45Å; L43-Y46 HydrophobicContact CD1-CD2 4.43Å; L43-Y46 HydrophobicContact CD1-CE2 4.47Å; L43-Y46 PolarHBondContact O-N 3.37Å; E44-Y46 VanDerWaalsContact C-N 3.31Å; E44-Y46 PolarHBondContact O-N 3.29Å; Y46-D48 PolarHBondContact O-N 3.04Å; Y46-N49 PolarHBondContact O-N 2.82Å; Y46-W56 AromaticContact CD1-NE1 3.85Å; Y46-W56 HydrophobicContact CD2-CZ2 4.04Å; Y46-W56 AromaticContact CG-CZ2 3.9Å; Y46-W56 HydrophobicContact CG-CZ2 3.9Å; Y46-W56 AromaticContact CG-NE1 3.94Å; Y46-H58 AromaticContact CE2-ND1 3.89Å; Y46-H58 AromaticContact CZ-CE1 3.83Å; Y46-H58 AromaticContact CZ-ND1 3.59Å; Y46-H58 PolarHBondContact OH-CE1 3.38Å; Y46-H58 PolarHBondContact OH-ND1 3.05Å
47	R	91.8	Very high	93.8	Very high	89 Å²	89	58.6 Å²	58.6	34%	0.336	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-60.5	-28.6	-173.8	-163.2	178.7	178.6	132.7	2.5	113.6	D37 D40 N49 A50 Y51	D37-R47 IonicContact OD1-NH2 3.63Å; D37-R47 IonicContact OD2-NH2 2.77Å; D37-R47 PolarHBondContact OD2-NH2 2.9Å; D40-R47 IonicContact OD1-CZ 2.65Å; D40-R47 VanDerWaalsContact OD1-CZ 3.29Å; D40-R47 IonicContact OD1-NH1 2.79Å; D40-R47 PolarHBondContact OD1-NH1 3.43Å; D40-R47 IonicContact OD1-NH2 3.35Å; D40-R47 PolarHBondContact OD1-NH2 2.92Å; R47-N49 PolarHBondContact O-N 3.26Å; R47-A50 WeakPolarHBondContact O-CB 3.34Å; R47-A50 PolarHBondContact O-N 3.25Å; R47-Y51 PolarHBondContact NE-OH 3.1Å; R47-Y51 PolarHBondContact NH2-OH 2.78Å
48	D	87.4	Confident	93.7	Very high	144 Å²	144	60.7 Å²	60.7	77%	0.77	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59.2	-19.7	178.9	-59.9	-14.7	0	0	0	114.2	Y46	Y46-D48 PolarHBondContact O-N 3.04Å
49	N	90.2	Very high	93.5	Very high	66 Å²	66	63.3 Å²	63.3	35%	0.353	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-100.1	0.6	176.9	-65.5	-52.6	0	0	0	113.3	Y42 Y46 R47 Y51 K52	Y42-N49 HydrophobicContact CE1-CB 4.46Å; Y42-N49 PolarHBondContact OH-O 3.46Å; Y46-N49 PolarHBondContact O-N 2.82Å; R47-N49 PolarHBondContact O-N 3.26Å; N49-Y51 PolarHBondContact O-N 2.77Å; N49-K52 PolarHBondContact O-N 3.16Å; N49-K52 PolarHBondContact OD1-NZ 2.81Å
50	A	94.2	Very high	93.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-37	-173.9	0	0	0	0	0	113	R38 Y42 R47 K52	R38-A50 WeakPolarHBondContact CD-O 3.4Å; R38-A50 PolarHBondContact NE-O 2.89Å; R38-A50 VanDerWaalsContact NE-O 3.07Å; Y42-A50 HydrophobicContact CD1-CB 4.39Å; Y42-A50 HydrophobicContact CD2-CB 3.76Å; Y42-A50 HydrophobicContact CE1-CB 4.38Å; Y42-A50 HydrophobicContact CE2-CB 3.77Å; Y42-A50 HydrophobicContact CG-CB 4.09Å; R47-A50 WeakPolarHBondContact O-CB 3.34Å; R47-A50 PolarHBondContact O-N 3.25Å; A50-K52 VanDerWaalsContact C-N 3.29Å; A50-K52 PolarHBondContact O-N 2.76Å
51	Y	96.6	Very high	93.3	Very high	31 Å²	31	63.9 Å²	63.9	12%	0.122	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	13.3	-174.8	-44.1	-49.4	0	0	0	113.7	A7 G8 E9 N11 D37 R47 N49	A7-Y51 WeakPolarHBondContact CA-O 3.39Å; G8-Y51 PolarHBondContact N-O 3.05Å; E9-Y51 WeakPolarHBondContact O-CD2 3.44Å; N11-Y51 HydrophobicContact CB-CD1 4.26Å; N11-Y51 HydrophobicContact CB-CE1 3.98Å; D37-Y51 VanDerWaalsContact OD1-CE1 3.3Å; D37-Y51 WeakPolarHBondContact OD1-CE1 3.4Å; D37-Y51 PolarHBondContact OD1-OH 3.1Å; D37-Y51 PolarHBondContact OD2-OH 2.72Å; R47-Y51 PolarHBondContact NE-OH 3.1Å; R47-Y51 PolarHBondContact NH2-OH 2.78Å; N49-Y51 PolarHBondContact O-N 2.77Å
52	K	95	Very high	93.1	Very high	77 Å²	77	66.8 Å²	66.8	34%	0.335	35%	0.352	S	S	.	.	S	Bend	trans	-91	143.1	170.2	-60.5	178.5	-175.4	169.8	0	108.1	A7 N49 A50 L54	A7-K52 HydrophobicContact CB-CG 3.88Å; N49-K52 PolarHBondContact O-N 3.16Å; N49-K52 PolarHBondContact OD1-NZ 2.81Å; A50-K52 VanDerWaalsContact C-N 3.29Å; A50-K52 PolarHBondContact O-N 2.76Å; K52-L54 HydrophobicContact CB-CB 4.47Å; K52-L54 HydrophobicContact CB-CD1 4.18Å; K52-L54 HydrophobicContact CB-CG 4.3Å; K52-L54 PolarHBondContact O-N 2.83Å
53	D	95.7	Very high	93	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.021	35%	0.351	C	S	.	.	S	Bend	trans	-73.7	63.8	172.9	-178.4	41.7	0	0	0	111.2	G2 G3 A4 V5 P66 C67	G2-D53 CarbonylContact C-O 3.54Å; G2-D53 WeakPolarHBondContact CA-O 3.42Å; G3-D53 PolarHBondContact N-O 2.9Å; G3-D53 PolarHBondContact N-OD2 2.93Å; G3-D53 VanDerWaalsContact N-OD2 3.09Å; A4-D53 PolarHBondContact N-OD2 2.94Å; V5-D53 HydrophobicContact CG2-CB 3.54Å; D53-P66 WeakPolarHBondContact OD1-CD 3.44Å; D53-C67 VanDerWaalsContact CG-SG 3.57Å; D53-C67 WeakPolarHBondContact OD1-CB 3.29Å; D53-C67 PolarHBondContact OD1-N 3.23Å; D53-C67 PolarHBondContact OD1-SG 2.87Å; D53-C67 PolarHBondContact OD2-SG 2.8Å
54	L	94.6	Very high	93.1	Very high	86 Å²	86	64.4 Å²	64.4	45%	0.45	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-137	143	-176.5	-67.9	173.8	0	0	0	109.8	R38 K52	R38-L54 PolarHBondContact NH2-O 2.76Å; R38-L54 VanDerWaalsContact NH2-O 3.17Å; K52-L54 HydrophobicContact CB-CB 4.47Å; K52-L54 HydrophobicContact CB-CD1 4.18Å; K52-L54 HydrophobicContact CB-CG 4.3Å; K52-L54 PolarHBondContact O-N 2.83Å
55	A	94.2	Very high	93.5	Very high	38 Å²	38	55.2 Å²	55.2	31%	0.314	30%	0.297	S	S	.	.			trans	-66	146.2	165.5	0	0	0	0	0	109.6	M1 L63	M1-A55 PolarHBondContact O-N 2.83Å; M1-A55 VanDerWaalsContact O-N 3.12Å; A55-L63 CarbonylContact C-O 3.58Å; A55-L63 VanDerWaalsContact CA-O 3.25Å; A55-L63 WeakPolarHBondContact CA-O 3.44Å
56	W	94.4	Very high	93.9	Very high	24 Å²	24	52 Å²	52	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141	177.8	172.8	72.8	0	0	0	110.1	Y42 L43 Y46 H58 I61 H62 L63	Y42-W56 AromaticContact CD1-CD2 3.64Å; Y42-W56 HydrophobicContact CD1-CD2 3.64Å; Y42-W56 AromaticContact CD1-CE2 3.82Å; Y42-W56 AromaticContact CD1-CE3 3.84Å; Y42-W56 HydrophobicContact CD1-CE3 3.84Å; Y42-W56 HydrophobicContact CD1-CG 4.06Å; Y42-W56 HydrophobicContact CD1-CH2 4.36Å; Y42-W56 HydrophobicContact CD1-CZ2 4.19Å; Y42-W56 HydrophobicContact CD1-CZ3 4.19Å; Y42-W56 HydrophobicContact CD2-CE3 4.37Å; Y42-W56 HydrophobicContact CE1-CB 3.67Å; Y42-W56 AromaticContact CE1-CD1 3.76Å; Y42-W56 AromaticContact CE1-CD2 3.39Å; Y42-W56 HydrophobicContact CE1-CD2 3.39Å; Y42-W56 AromaticContact CE1-CE2 3.9Å; Y42-W56 AromaticContact CE1-CE3 3.82Å; Y42-W56 HydrophobicContact CE1-CE3 3.82Å; Y42-W56 AromaticContact CE1-CG 3.32Å; Y42-W56 HydrophobicContact CE1-CG 3.32Å; Y42-W56 HydrophobicContact CE2-CE3 4.33Å; Y42-W56 HydrophobicContact CG-CD2 4.4Å; Y42-W56 HydrophobicContact CG-CE3 4.14Å; Y42-W56 HydrophobicContact CG-CZ3 4.22Å; Y42-W56 AromaticContact CZ-CD2 3.95Å; Y42-W56 AromaticContact CZ-CG 3.77Å; Y42-W56 WeakPolarHBondContact OH-CB 3.33Å; L43-W56 HydrophobicContact CB-CH2 3.94Å; L43-W56 HydrophobicContact CB-CZ2 4.16Å; L43-W56 HydrophobicContact CD1-CH2 3.85Å; L43-W56 HydrophobicContact CD1-CZ2 4.04Å; L43-W56 HydrophobicContact CG-CH2 3.75Å; L43-W56 HydrophobicContact CG-CZ2 4.27Å; Y46-W56 AromaticContact CD1-NE1 3.85Å; Y46-W56 HydrophobicContact CD2-CZ2 4.04Å; Y46-W56 AromaticContact CG-CZ2 3.9Å; Y46-W56 HydrophobicContact CG-CZ2 3.9Å; Y46-W56 AromaticContact CG-NE1 3.94Å; W56-H58 HydrophobicContact CH2-CB 4.26Å; W56-H58 HydrophobicContact CZ2-CB 3.73Å; W56-I61 HydrophobicContact CE3-CG2 4.44Å; W56-I61 HydrophobicContact CH2-CG2 4.04Å; W56-I61 HydrophobicContact CZ3-CG2 3.61Å; W56-H62 CarbonylContact O-C 3.33Å; W56-H62 WeakPolarHBondContact O-CA 3.48Å; W56-H62 PolarHBondContact O-CD2 2.99Å; W56-L63 HydrophobicContact CE3-CB 4.46Å; W56-L63 HydrophobicContact CE3-CD1 3.74Å; W56-L63 HydrophobicContact CZ3-CD1 3.82Å; W56-L63 PolarHBondContact N-O 2.89Å; W56-L63 PolarHBondContact O-N 2.82Å
57	K	93.1	Very high	94.1	Very high	144 Å²	144	48 Å²	48	63%	0.626	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	135.4	179.5	-169	179.6	177.3	177.7	0	110	G59 I61	K57-G59 WeakPolarHBondContact CE-O 3.4Å; K57-I61 CarbonylContact C-O 3.57Å; K57-I61 VanDerWaalsContact CA-O 3.3Å; K57-I61 WeakPolarHBondContact CA-O 3.4Å; K57-I61 WeakPolarHBondContact CG-O 3.17Å
58	H	94.3	Very high	94.3	Very high	82 Å²	82	43.9 Å²	43.9	38%	0.38	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	113.5	169.7	-172.1	89.9	0	0	0	109.5	L43 Y46 W56 N60 I61	L43-H58 HydrophobicContact CD1-CB 4.12Å; Y46-H58 AromaticContact CE2-ND1 3.89Å; Y46-H58 AromaticContact CZ-CE1 3.83Å; Y46-H58 AromaticContact CZ-ND1 3.59Å; Y46-H58 PolarHBondContact OH-CE1 3.38Å; Y46-H58 PolarHBondContact OH-ND1 3.05Å; W56-H58 HydrophobicContact CH2-CB 4.26Å; W56-H58 HydrophobicContact CZ2-CB 3.73Å; H58-N60 PolarHBondContact O-N 2.88Å; H58-I61 PolarHBondContact N-O 2.92Å; H58-I61 WeakPolarHBondContact O-CB 3.43Å; H58-I61 PolarHBondContact O-N 2.93Å
59	G	94.4	Very high	94.8	Very high	56 Å²	56	37.6 Å²	37.6	58%	0.577	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	-126.3	-170.4	0	0	0	0	0	111.6	K57	K57-G59 WeakPolarHBondContact CE-O 3.4Å
60	N	94.6	Very high	95.2	Very high	72 Å²	72	34.5 Å²	34.5	39%	0.385	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.4	175	-62.2	-30.5	0	0	0	112.9	H58 H62 H114 D116 V117	H58-N60 PolarHBondContact O-N 2.88Å; N60-H62 PolarHBondContact O-N 2.83Å; N60-H114 HydrophobicContact CB-CB 4.18Å; N60-D116 PolarHBondContact ND2-OD1 2.88Å; N60-D116 PolarHBondContact ND2-OD2 3.44Å; N60-V117 HydrophobicContact CB-CG2 3.49Å; N60-V117 VanDerWaalsContact CB-CG2 3.49Å
61	I	93.9	Very high	95.4	Very high	18 Å²	18	35.5 Å²	35.5	9%	0.092	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.9	-179	-67.3	174	0	0	0	109.8	L43 W56 K57 H58 T91 V117 Y120	L43-I61 HydrophobicContact CD1-CD1 4.45Å; L43-I61 HydrophobicContact CD2-CD1 4.46Å; W56-I61 HydrophobicContact CE3-CG2 4.44Å; W56-I61 HydrophobicContact CH2-CG2 4.04Å; W56-I61 HydrophobicContact CZ3-CG2 3.61Å; K57-I61 CarbonylContact C-O 3.57Å; K57-I61 VanDerWaalsContact CA-O 3.3Å; K57-I61 WeakPolarHBondContact CA-O 3.4Å; K57-I61 WeakPolarHBondContact CG-O 3.17Å; H58-I61 PolarHBondContact N-O 2.92Å; H58-I61 WeakPolarHBondContact O-CB 3.43Å; H58-I61 PolarHBondContact O-N 2.93Å; I61-T91 HydrophobicContact CG2-CG2 3.43Å; I61-T91 VanDerWaalsContact CG2-CG2 3.43Å; I61-V117 HydrophobicContact CG1-CG2 4.29Å; I61-Y120 HydrophobicContact CD1-CD1 4Å; I61-Y120 HydrophobicContact CD1-CD2 3.82Å; I61-Y120 HydrophobicContact CD1-CE1 4.19Å; I61-Y120 HydrophobicContact CD1-CE2 4Å; I61-Y120 HydrophobicContact CD1-CG 3.79Å; I61-Y120 HydrophobicContact CG1-CD1 4.47Å; I61-Y120 HydrophobicContact CG2-CE1 4.42Å
62	H	92.6	Very high	95.5	Very high	65 Å²	65	34 Å²	34	30%	0.301	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.7	177.9	178.8	-101.7	0	0	0	111.5	W56 N60	W56-H62 CarbonylContact O-C 3.33Å; W56-H62 WeakPolarHBondContact O-CA 3.48Å; W56-H62 PolarHBondContact O-CD2 2.99Å; N60-H62 PolarHBondContact O-N 2.83Å
63	L	94.6	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.9	165.7	-89	85.5	0	0	0	109.1	R38 Y42 A55 W56 T91 Y93	R38-L63 HydrophobicContact CG-CD2 4.35Å; Y42-L63 HydrophobicContact CD2-CD2 4.08Å; Y42-L63 HydrophobicContact CE2-CD2 3.77Å; A55-L63 CarbonylContact C-O 3.58Å; A55-L63 VanDerWaalsContact CA-O 3.25Å; A55-L63 WeakPolarHBondContact CA-O 3.44Å; W56-L63 HydrophobicContact CE3-CB 4.46Å; W56-L63 HydrophobicContact CE3-CD1 3.74Å; W56-L63 HydrophobicContact CZ3-CD1 3.82Å; W56-L63 PolarHBondContact N-O 2.89Å; W56-L63 PolarHBondContact O-N 2.82Å; L63-T91 HydrophobicContact CD1-CG2 3.21Å; L63-T91 VanDerWaalsContact CD1-OG1 3.28Å; L63-T91 WeakPolarHBondContact CD1-OG1 3.31Å; L63-T91 HydrophobicContact CG-CG2 4.32Å; L63-Y93 HydrophobicContact CD2-CD1 4.47Å; L63-Y93 HydrophobicContact CD2-CG 4.45Å
64	S	95.1	Very high	95.8	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.021	17%	0.17	C	C	.	.			trans	-67	158.9	171.3	-57.1	0	0	0	0	111.1	R38 Y69	R38-S64 VanDerWaalsContact CZ-O 3.3Å; R38-S64 PolarHBondContact NH1-O 3.27Å; R38-S64 PolarHBondContact NH2-O 3.26Å; S64-Y69 PolarHBondContact N-OH 3Å
65	A	95.9	Very high	95.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.			trans	-60.4	144.4	175.8	0	0	0	0	0	111	C67 I68 Y69	A65-C67 VanDerWaalsContact C-N 3.32Å; A65-C67 PolarHBondContact O-N 2.91Å; A65-I68 HydrophobicContact CB-CG1 4.13Å; A65-I68 WeakPolarHBondContact O-CB 3.4Å; A65-I68 PolarHBondContact O-N 2.95Å; A65-I68 VanDerWaalsContact O-N 3.07Å; A65-Y69 PolarHBondContact O-N 2.8Å
66	P	97.1	Very high	96.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.013	14%	0.137	C	C	.	.	H	α-helix	trans	-47.8	-47.8	175.9	-27	32.7	0	0	0	114	L14 L18 D53 I68 Y69 S70	L14-P66 HydrophobicContact CD1-CB 4.29Å; L14-P66 HydrophobicContact CD1-CG 4.22Å; L14-P66 HydrophobicContact CD2-CB 4.06Å; L14-P66 HydrophobicContact CD2-CG 3.68Å; L14-P66 HydrophobicContact CG-CB 4.49Å; L14-P66 HydrophobicContact CG-CG 4.47Å; L18-P66 HydrophobicContact CD1-CB 3.66Å; L18-P66 HydrophobicContact CD2-CB 4.31Å; D53-P66 WeakPolarHBondContact OD1-CD 3.44Å; P66-I68 PolarHBondContact O-N 3.31Å; P66-Y69 PolarHBondContact O-N 3.12Å; P66-Y69 VanDerWaalsContact O-N 3.11Å; P66-S70 PolarHBondContact O-N 2.96Å; P66-S70 PolarHBondContact O-OG 2.96Å
67	C	96.6	Very high	96.3	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-35.5	179.3	60.3	0	0	0	0	113.5	A4 L18 Y23 D53 A65 S70 E71	A4-C67 HydrophobicContact CB-CB 4.36Å; L18-C67 HydrophobicContact CD2-CB 3.99Å; Y23-C67 HydrophobicContact CD1-CB 3.91Å; Y23-C67 HydrophobicContact CD2-CB 4.35Å; Y23-C67 HydrophobicContact CE1-CB 3.98Å; Y23-C67 HydrophobicContact CE2-CB 4.44Å; Y23-C67 HydrophobicContact CG-CB 4.1Å; D53-C67 VanDerWaalsContact CG-SG 3.57Å; D53-C67 WeakPolarHBondContact OD1-CB 3.29Å; D53-C67 PolarHBondContact OD1-N 3.23Å; D53-C67 PolarHBondContact OD1-SG 2.87Å; D53-C67 PolarHBondContact OD2-SG 2.8Å; A65-C67 VanDerWaalsContact C-N 3.32Å; A65-C67 PolarHBondContact O-N 2.91Å; C67-S70 PolarHBondContact O-N 3.16Å; C67-E71 PolarHBondContact O-N 3.31Å; C67-E71 VanDerWaalsContact O-N 3.09Å
68	I	96.8	Very high	96.6	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	13%	0.131	C	C	.	.	H	α-helix	trans	-68.2	-46.4	177.4	-58.1	-60.7	0	0	0	110.4	M1 A65 P66 S70 E71 V72 L212 V214 F216	M1-I68 HydrophobicContact CB-CD1 4.49Å; M1-I68 HydrophobicContact CB-CG1 4.29Å; M1-I68 HydrophobicContact CE-CD1 3.79Å; M1-I68 HydrophobicContact CE-CG1 3.77Å; M1-I68 HydrophobicContact CE-CG2 4.16Å; M1-I68 HydrophobicContact SD-CD1 3.65Å; M1-I68 HydrophobicContact SD-CG1 4.15Å; A65-I68 HydrophobicContact CB-CG1 4.13Å; A65-I68 WeakPolarHBondContact O-CB 3.4Å; A65-I68 PolarHBondContact O-N 2.95Å; A65-I68 VanDerWaalsContact O-N 3.07Å; P66-I68 PolarHBondContact O-N 3.31Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 2.8Å; I68-E71 PolarHBondContact O-N 3.18Å; I68-V72 HydrophobicContact CG2-CG2 4.46Å; I68-V72 WeakPolarHBondContact O-CB 3.11Å; I68-V72 VanDerWaalsContact O-CG2 3.23Å; I68-V72 WeakPolarHBondContact O-CG2 3.37Å; I68-V72 PolarHBondContact O-N 3.14Å; I68-L212 HydrophobicContact CD1-CD1 3.75Å; I68-V214 HydrophobicContact CD1-CG1 3.99Å; I68-F216 HydrophobicContact CG2-CE2 4.45Å; I68-F216 HydrophobicContact CG2-CZ 3.79Å
69	Y	97.9	Very high	96.7	Very high	13 Å²	13	24.5 Å²	24.5	5%	0.051	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-35.5	176.2	-72.5	-33.9	0	0	0	112	S64 A65 P66 V72 M73 Y93 L94 Y164	S64-Y69 PolarHBondContact N-OH 3Å; A65-Y69 PolarHBondContact O-N 2.8Å; P66-Y69 PolarHBondContact O-N 3.12Å; P66-Y69 VanDerWaalsContact O-N 3.11Å; Y69-V72 PolarHBondContact O-N 3.03Å; Y69-M73 VanDerWaalsContact O-CB 3.32Å; Y69-M73 WeakPolarHBondContact O-CB 3.45Å; Y69-M73 WeakPolarHBondContact O-CG 2.97Å; Y69-M73 PolarHBondContact O-N 3.39Å; Y69-Y93 AromaticContact CD2-CD1 3.8Å; Y69-Y93 HydrophobicContact CD2-CD1 3.8Å; Y69-Y93 AromaticContact CD2-CE1 3.89Å; Y69-Y93 HydrophobicContact CD2-CE1 3.89Å; Y69-Y93 AromaticContact CE2-CD1 3.66Å; Y69-Y93 HydrophobicContact CE2-CD1 3.66Å; Y69-Y93 HydrophobicContact CE2-CE1 4.19Å; Y69-L94 HydrophobicContact CD1-CB 4.29Å; Y69-L94 HydrophobicContact CD1-CD1 3.86Å; Y69-L94 HydrophobicContact CD1-CD2 4.23Å; Y69-L94 HydrophobicContact CD1-CG 4.36Å; Y69-L94 HydrophobicContact CE1-CB 4.07Å; Y69-L94 HydrophobicContact CE1-CD1 4.47Å; Y69-L94 HydrophobicContact CE1-CD2 4.23Å; Y69-L94 HydrophobicContact CE1-CG 4.49Å; Y69-L94 HydrophobicContact CG-CD1 4.18Å; Y69-Y164 HydrophobicContact CE1-CE1 4.4Å
70	S	97.9	Very high	96.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-49.8	175.9	-55.4	0	0	0	0	111.1	I24 F33 P66 C67 I68 V72 M73 E74	I24-S70 WeakPolarHBondContact CG1-OG 3.25Å; F33-S70 WeakPolarHBondContact CZ-OG 3.44Å; P66-S70 PolarHBondContact O-N 2.96Å; P66-S70 PolarHBondContact O-OG 2.96Å; C67-S70 PolarHBondContact O-N 3.16Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 2.8Å; S70-V72 PolarHBondContact O-N 3.45Å; S70-M73 PolarHBondContact O-N 2.89Å; S70-E74 WeakPolarHBondContact O-CB 3.02Å; S70-E74 VanDerWaalsContact O-CG 3.27Å; S70-E74 WeakPolarHBondContact O-CG 3.46Å; S70-E74 PolarHBondContact O-N 3.35Å
71	E	97.8	Very high	97	Very high	21 Å²	21	24.1 Å²	24.1	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-38.8	178.1	-75.6	-67.4	163.3	0	0	112.9	Y23 R25 C67 I68 A75 I211 L212	Y23-E71 HydrophobicContact CD1-CG 3.78Å; Y23-E71 HydrophobicContact CE1-CG 4.24Å; R25-E71 IonicContact CZ-OE1 2.78Å; R25-E71 IonicContact CZ-OE2 2.79Å; R25-E71 IonicContact NH1-OE1 3.6Å; R25-E71 PolarHBondContact NH1-OE1 3.36Å; R25-E71 IonicContact NH1-OE2 2.68Å; R25-E71 IonicContact NH2-OE1 2.69Å; R25-E71 PolarHBondContact NH2-OE1 3.33Å; R25-E71 IonicContact NH2-OE2 3.29Å; R25-E71 PolarHBondContact NH2-OE2 3.12Å; C67-E71 PolarHBondContact O-N 3.31Å; C67-E71 VanDerWaalsContact O-N 3.09Å; I68-E71 PolarHBondContact O-N 3.18Å; E71-A75 WeakPolarHBondContact O-CB 3.42Å; E71-A75 PolarHBondContact O-N 3.08Å; E71-I211 HydrophobicContact CB-CG2 4.19Å; E71-I211 HydrophobicContact CG-CG2 4.35Å; E71-I211 WeakPolarHBondContact OE2-CG2 3.47Å; E71-L212 HydrophobicContact CB-CD2 3.89Å; E71-L212 HydrophobicContact CG-CD2 3.83Å
72	V	98.4	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-49.4	173.7	169.4	0	0	0	0	110.5	I68 Y69 S70 E74 A75 L76 L94 Y164 V188 L195	I68-V72 HydrophobicContact CG2-CG2 4.46Å; I68-V72 WeakPolarHBondContact O-CB 3.11Å; I68-V72 VanDerWaalsContact O-CG2 3.23Å; I68-V72 WeakPolarHBondContact O-CG2 3.37Å; I68-V72 PolarHBondContact O-N 3.14Å; Y69-V72 PolarHBondContact O-N 3.03Å; S70-V72 PolarHBondContact O-N 3.45Å; V72-E74 PolarHBondContact O-N 3.5Å; V72-A75 PolarHBondContact O-N 2.96Å; V72-L76 HydrophobicContact CG1-CD1 3.67Å; V72-L76 HydrophobicContact CG1-CG 4.26Å; V72-L76 WeakPolarHBondContact O-CB 3.34Å; V72-L76 WeakPolarHBondContact O-CG 3.29Å; V72-L76 PolarHBondContact O-N 3.48Å; V72-L94 HydrophobicContact CG1-CD2 4.36Å; V72-Y164 HydrophobicContact CB-CD2 4.33Å; V72-Y164 HydrophobicContact CB-CE2 4.26Å; V72-Y164 HydrophobicContact CG1-CD1 4.27Å; V72-Y164 HydrophobicContact CG1-CD2 3.44Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.44Å; V72-Y164 HydrophobicContact CG1-CE2 3.81Å; V72-Y164 HydrophobicContact CG1-CG 3.7Å; V72-Y164 HydrophobicContact CG2-CD2 3.84Å; V72-Y164 HydrophobicContact CG2-CE2 3.38Å; V72-V188 HydrophobicContact CG2-CG1 4.08Å; V72-L195 HydrophobicContact CG2-CD1 4.39Å; V72-L195 HydrophobicContact CG2-CD2 3.96Å
73	M	98.4	Very high	97.5	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-42	-179	-72.9	-82.2	-76.5	0	0	112	V29 A32 F33 Y69 S70 L78 L94 M97 V98 I101	V29-M73 HydrophobicContact CG1-CB 3.91Å; V29-M73 HydrophobicContact CG2-CB 4.07Å; A32-M73 HydrophobicContact CB-CE 4.15Å; F33-M73 HydrophobicContact CE2-CB 4.39Å; F33-M73 HydrophobicContact CE2-CG 4.04Å; Y69-M73 VanDerWaalsContact O-CB 3.32Å; Y69-M73 WeakPolarHBondContact O-CB 3.45Å; Y69-M73 WeakPolarHBondContact O-CG 2.97Å; Y69-M73 PolarHBondContact O-N 3.39Å; S70-M73 PolarHBondContact O-N 2.89Å; M73-L78 HydrophobicContact CE-CD1 4.37Å; M73-L78 HydrophobicContact SD-CD1 3.65Å; M73-L94 HydrophobicContact CG-CD1 3.78Å; M73-L94 HydrophobicContact SD-CD1 3.8Å; M73-M97 HydrophobicContact CE-CB 4Å; M73-V98 HydrophobicContact SD-CG2 3.6Å; M73-V98 VanDerWaalsContact SD-CG2 3.6Å; M73-I101 HydrophobicContact CE-CD1 3.38Å; M73-I101 HydrophobicContact CE-CG1 4.47Å
74	E	98.4	Very high	97.7	Very high	23 Å²	23	21.7 Å²	21.7	11%	0.107	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-45.5	175.2	-72	-67.1	166.6	0	0	111.9	R25 T26 S70 V72 L76 K77	R25-E74 PolarHBondContact N-OE1 3.5Å; T26-E74 WeakPolarHBondContact CG2-OE2 3.49Å; T26-E74 PolarHBondContact N-OE1 3.47Å; T26-E74 PolarHBondContact OG1-OE1 3.27Å; T26-E74 PolarHBondContact OG1-OE2 2.96Å; S70-E74 WeakPolarHBondContact O-CB 3.02Å; S70-E74 VanDerWaalsContact O-CG 3.27Å; S70-E74 WeakPolarHBondContact O-CG 3.46Å; S70-E74 PolarHBondContact O-N 3.35Å; V72-E74 PolarHBondContact O-N 3.5Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.38Å; E74-K77 PolarHBondContact O-N 3.41Å
75	A	98.4	Very high	97.8	Very high	9 Å²	9	21.6 Å²	21.6	7%	0.074	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-32.8	-179.6	0	0	0	0	0	112.7	E71 V72 K77 V188 Q197 I211	E71-A75 WeakPolarHBondContact O-CB 3.42Å; E71-A75 PolarHBondContact O-N 3.08Å; V72-A75 PolarHBondContact O-N 2.96Å; A75-K77 PolarHBondContact O-N 3.37Å; A75-V188 HydrophobicContact CB-CG2 3.82Å; A75-Q197 PolarHBondContact O-NE2 2.86Å; A75-I211 HydrophobicContact CB-CD1 3.51Å
76	L	98.6	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69.6	-17.9	178.1	-72.2	168.7	0	0	0	112.7	V72 E74 L78 F84 R162 I163 V188	V72-L76 HydrophobicContact CG1-CD1 3.67Å; V72-L76 HydrophobicContact CG1-CG 4.26Å; V72-L76 WeakPolarHBondContact O-CB 3.34Å; V72-L76 WeakPolarHBondContact O-CG 3.29Å; V72-L76 PolarHBondContact O-N 3.48Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.38Å; L76-L78 HydrophobicContact CB-CD1 4.27Å; L76-L78 HydrophobicContact CB-CD2 4.21Å; L76-L78 HydrophobicContact CB-CG 3.81Å; L76-L78 HydrophobicContact CD1-CD1 4.38Å; L76-L78 PolarHBondContact O-N 3.35Å; L76-F84 HydrophobicContact CD1-CD2 4.46Å; L76-F84 HydrophobicContact CD1-CE2 3.71Å; L76-F84 HydrophobicContact CD1-CZ 4.39Å; L76-R162 HydrophobicContact CD2-CB 4.23Å; L76-R162 WeakPolarHBondContact O-CD 3.3Å; L76-R162 PolarHBondContact O-NE 2.98Å; L76-I163 WeakPolarHBondContact CD2-O 3.4Å; L76-V188 HydrophobicContact CD2-CB 4.17Å; L76-V188 HydrophobicContact CD2-CG2 3.71Å; L76-V188 HydrophobicContact CG-CB 4.5Å; L76-V188 HydrophobicContact CG-CG2 3.96Å
77	K	98.2	Very high	98	Very high	126 Å²	126	21.6 Å²	21.6	55%	0.548	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	50.7	179.9	-58.6	-177.8	179.7	177.4	0	112.2	E74 A75 R162 I186	E74-K77 PolarHBondContact O-N 3.41Å; A75-K77 PolarHBondContact O-N 3.37Å; K77-R162 PolarHBondContact O-NH2 2.97Å; K77-I186 HydrophobicContact CB-CD1 4.02Å; K77-I186 HydrophobicContact CD-CD1 3.95Å; K77-I186 HydrophobicContact CG-CD1 4.15Å
78	L	98.5	Very high	98	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.047	13%	0.131	C	C	.	.			trans	-64.6	142.8	-175.6	-66.5	159.1	0	0	0	111.1	R28 M73 L76 F84 V98 I101 L102 R162	R28-L78 PolarHBondContact NH1-O 2.67Å; R28-L78 VanDerWaalsContact NH1-O 3.16Å; M73-L78 HydrophobicContact CE-CD1 4.37Å; M73-L78 HydrophobicContact SD-CD1 3.65Å; L76-L78 HydrophobicContact CB-CD1 4.27Å; L76-L78 HydrophobicContact CB-CD2 4.21Å; L76-L78 HydrophobicContact CB-CG 3.81Å; L76-L78 HydrophobicContact CD1-CD1 4.38Å; L76-L78 PolarHBondContact O-N 3.35Å; L78-F84 HydrophobicContact CD2-CD2 4.36Å; L78-V98 HydrophobicContact CD1-CB 4.37Å; L78-V98 HydrophobicContact CD1-CG1 4.1Å; L78-V98 HydrophobicContact CD1-CG2 3.74Å; L78-V98 HydrophobicContact CD2-CG1 3.95Å; L78-I101 HydrophobicContact CB-CB 4.36Å; L78-I101 HydrophobicContact CB-CD1 4.49Å; L78-I101 HydrophobicContact CB-CG2 3.46Å; L78-I101 VanDerWaalsContact CB-CG2 3.46Å; L78-I101 HydrophobicContact CD1-CD1 4.23Å; L78-L102 HydrophobicContact CD2-CD2 4.17Å; L78-R162 HydrophobicContact CD2-CB 4.11Å; L78-R162 HydrophobicContact CD2-CG 3.97Å
79	Q	97.8	Very high	98	Very high	86 Å²	86	22.6 Å²	22.6	40%	0.402	13%	0.131	S	C	.	.			trans	-140.5	155.3	-179.9	-61.1	-63.8	-34.8	0	0	109.9	R28 G81 L82 L102	R28-Q79 VanDerWaalsContact NH1-NE2 3.14Å; Q79-G81 PolarHBondContact O-N 3.18Å; Q79-L82 HydrophobicContact CB-CD1 3.85Å; Q79-L82 HydrophobicContact CB-CG 4.05Å; Q79-L82 HydrophobicContact CG-CD1 4.33Å; Q79-L82 WeakPolarHBondContact O-CG 3.49Å; Q79-L82 PolarHBondContact O-N 3.31Å; Q79-L102 VanDerWaalsContact O-CD2 3.31Å; Q79-L102 WeakPolarHBondContact O-CD2 3.42Å
80	P	97.9	Very high	97.9	Very high	80 Å²	80	22.4 Å²	22.4	52%	0.519	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	138.9	173.6	-27.1	35.3	0	0	0	112.7	L82 L102	P80-L82 VanDerWaalsContact C-N 3.31Å; P80-L82 PolarHBondContact O-N 3.29Å; P80-L102 CarbonylContact C-O 3.55Å; P80-L102 VanDerWaalsContact CA-O 3.22Å; P80-L102 WeakPolarHBondContact CA-O 3.45Å
81	G	96.5	Very high	97.9	Very high	40 Å²	40	22.4 Å²	22.4	41%	0.412	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-4.6	176.8	0	0	0	0	0	116.1	Q79 L102	Q79-G81 PolarHBondContact O-N 3.18Å; G81-L102 PolarHBondContact N-O 2.99Å
82	L	98.1	Very high	97.9	Very high	32 Å²	32	21.4 Å²	21.4	17%	0.168	13%	0.128	C	C	.	.			trans	-72.3	157.2	175.8	-63.9	-175.3	0	0	0	112.2	Q79 P80 L102 G106 I107 D161 R162	Q79-L82 HydrophobicContact CB-CD1 3.85Å; Q79-L82 HydrophobicContact CB-CG 4.05Å; Q79-L82 HydrophobicContact CG-CD1 4.33Å; Q79-L82 WeakPolarHBondContact O-CG 3.49Å; Q79-L82 PolarHBondContact O-N 3.31Å; P80-L82 VanDerWaalsContact C-N 3.31Å; P80-L82 PolarHBondContact O-N 3.29Å; L82-L102 HydrophobicContact CB-CD2 3.85Å; L82-G106 VanDerWaalsContact O-CA 3.26Å; L82-G106 WeakPolarHBondContact O-CA 3.23Å; L82-I107 PolarHBondContact O-N 3.33Å; L82-I107 VanDerWaalsContact O-N 3.1Å; L82-D161 HydrophobicContact CB-CB 4.05Å; L82-D161 HydrophobicContact CD1-CB 4.49Å; L82-D161 HydrophobicContact CD2-CB 3.96Å; L82-D161 HydrophobicContact CG-CB 4.39Å; L82-R162 HydrophobicContact CD1-CG 4.04Å
83	S	98.4	Very high	97.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.1	168.2	58.8	0	0	0	0	111.8	I107 Y160 D161 R162 K182	S83-I107 CarbonylContact C-O 3.47Å; S83-I107 WeakPolarHBondContact CA-O 3.37Å; S83-Y160 WeakPolarHBondContact OG-CA 3.44Å; S83-D161 WeakPolarHBondContact CB-OD2 3.41Å; S83-D161 PolarHBondContact N-OD2 3.19Å; S83-D161 WeakPolarHBondContact O-CB 3.45Å; S83-D161 PolarHBondContact O-N 3.33Å; S83-D161 VanDerWaalsContact O-N 3.13Å; S83-D161 PolarHBondContact OG-N 3.22Å; S83-D161 PolarHBondContact OG-OD2 3.19Å; S83-R162 PolarHBondContact O-N 2.72Å; S83-K182 PolarHBondContact OG-NZ 3.16Å
84	F	98.7	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	135.6	-179.4	177	-114.8	0	0	0	111.8	L76 L78 N86 L94 V98 L102 I107 N108 H109 Y160 R162	L76-F84 HydrophobicContact CD1-CD2 4.46Å; L76-F84 HydrophobicContact CD1-CE2 3.71Å; L76-F84 HydrophobicContact CD1-CZ 4.39Å; L78-F84 HydrophobicContact CD2-CD2 4.36Å; F84-N86 HydrophobicContact CE1-CB 3.67Å; F84-N86 HydrophobicContact CZ-CB 3.91Å; F84-L94 HydrophobicContact CZ-CD2 4.4Å; F84-V98 HydrophobicContact CB-CG1 4.05Å; F84-V98 HydrophobicContact CD1-CB 4.06Å; F84-V98 HydrophobicContact CD1-CG1 3.47Å; F84-V98 VanDerWaalsContact CD1-CG1 3.47Å; F84-V98 HydrophobicContact CD1-CG2 4.22Å; F84-V98 HydrophobicContact CD2-CG1 4.42Å; F84-V98 HydrophobicContact CE1-CB 4.04Å; F84-V98 HydrophobicContact CE1-CG1 3.93Å; F84-V98 HydrophobicContact CE1-CG2 3.79Å; F84-V98 HydrophobicContact CG-CG1 3.73Å; F84-V98 HydrophobicContact CZ-CG2 4.02Å; F84-L102 HydrophobicContact CB-CD1 3.77Å; F84-I107 PolarHBondContact N-O 2.96Å; F84-N108 WeakPolarHBondContact CD1-OD1 3.15Å; F84-H109 PolarHBondContact O-N 3.33Å; F84-Y160 VanDerWaalsContact C-CD1 3.43Å; F84-Y160 WeakPolarHBondContact O-CE1 3.37Å; F84-R162 CarbonylContact C-O 3.47Å; F84-R162 VanDerWaalsContact CA-O 3.25Å; F84-R162 WeakPolarHBondContact CA-O 3.41Å; F84-R162 HydrophobicContact CB-CB 4.48Å; F84-R162 HydrophobicContact CD2-CB 3.83Å
85	L	98.6	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.1	171.6	-179.1	61.5	0	0	0	110.3	L87 H109 I111 I153 Y160 R162 I163 Y164 L180 L235	L85-L87 HydrophobicContact CD1-CD2 4.25Å; L85-L87 HydrophobicContact CD2-CD2 3.74Å; L85-L87 HydrophobicContact CD2-CG 4.33Å; L85-L87 HydrophobicContact CG-CD2 3.81Å; L85-L87 HydrophobicContact CG-CG 4.23Å; L85-H109 CarbonylContact C-O 3.51Å; L85-H109 WeakPolarHBondContact CA-O 3.32Å; L85-H109 HydrophobicContact CD1-CB 4.02Å; L85-I111 HydrophobicContact CD1-CD1 4.27Å; L85-I111 HydrophobicContact CD1-CG1 4.25Å; L85-I153 HydrophobicContact CD2-CD1 4.21Å; L85-Y160 HydrophobicContact CB-CD1 3.68Å; L85-Y160 HydrophobicContact CB-CD2 3.83Å; L85-Y160 HydrophobicContact CB-CE1 3.76Å; L85-Y160 HydrophobicContact CB-CE2 3.95Å; L85-Y160 HydrophobicContact CB-CG 3.68Å; L85-Y160 HydrophobicContact CD1-CE2 4.29Å; 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 4.22Å; L85-R162 PolarHBondContact N-O 3.32Å; L85-I163 HydrophobicContact CB-CG1 4.19Å; L85-I163 HydrophobicContact CB-CG2 4.35Å; L85-I163 HydrophobicContact CD2-CG2 4.5Å; L85-I163 WeakPolarHBondContact O-CA 3.44Å; L85-Y164 PolarHBondContact O-N 2.99Å; L85-L180 HydrophobicContact CD2-CD1 4.26Å; L85-L235 HydrophobicContact CD1-CD1 4.01Å
86	N	98.6	Very high	97.9	Very high	3 Å²	3	20 Å²	20	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	109.1	174.7	-167.8	0.3	0	0	0	110.2	F84 S95 H109 G110 I111 Y164	F84-N86 HydrophobicContact CE1-CB 3.67Å; F84-N86 HydrophobicContact CZ-CB 3.91Å; N86-S95 PolarHBondContact ND2-OG 2.84Å; N86-H109 PolarHBondContact N-O 2.9Å; N86-G110 WeakPolarHBondContact O-CA 3.46Å; N86-I111 PolarHBondContact O-N 3.03Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.25Å
87	L	97.8	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	111.6	178.8	-57	175.4	0	0	0	109.3	L85 I111 C150 I153 I163 Y164 C165 G166 M177	L85-L87 HydrophobicContact CD1-CD2 4.25Å; L85-L87 HydrophobicContact CD2-CD2 3.74Å; L85-L87 HydrophobicContact CD2-CG 4.33Å; L85-L87 HydrophobicContact CG-CD2 3.81Å; L85-L87 HydrophobicContact CG-CG 4.23Å; L87-I111 HydrophobicContact CD2-CD1 4Å; L87-C150 HydrophobicContact CB-CB 4.12Å; L87-C150 HydrophobicContact CD2-CB 4.01Å; L87-I153 HydrophobicContact CD2-CD1 3.76Å; L87-I163 HydrophobicContact CD1-CG2 4Å; L87-I163 HydrophobicContact CG-CG2 4.28Å; L87-Y164 PolarHBondContact N-O 3.42Å; L87-C165 HydrophobicContact CB-CB 4.16Å; L87-C165 HydrophobicContact CD1-CB 4.3Å; L87-C165 WeakPolarHBondContact O-CA 3.16Å; L87-G166 PolarHBondContact O-N 2.89Å; L87-M177 HydrophobicContact CD1-CE 4.18Å; L87-M177 HydrophobicContact CD1-SD 3.53Å; L87-M177 VanDerWaalsContact CD1-SD 3.53Å
88	G	96.6	Very high	98	Very high	26 Å²	26	14 Å²	14	27%	0.268	9%	0.094	S	C	.	.	S	Bend	trans	81.2	59.4	-166.6	0	0	0	0	0	110.6	G90 I111 C150	G88-G90 PolarHBondContact O-N 2.95Å; G88-G90 VanDerWaalsContact O-N 3.16Å; G88-I111 VanDerWaalsContact CA-O 3.28Å; G88-I111 WeakPolarHBondContact CA-O 3.28Å; G88-I111 PolarHBondContact N-O 2.69Å; G88-C150 PolarHBondContact N-SG 2.89Å
89	S	96.6	Very high	98	Very high	4 Å²	4	13.6 Å²	13.6	3%	0.028	9%	0.092	C	C	.	.			trans	-65.5	-16.8	-173.1	57.6	0	0	0	0	114.3	T91 G92 I111	S89-T91 PolarHBondContact O-N 3.18Å; S89-G92 PolarHBondContact O-N 2.77Å; S89-G92 VanDerWaalsContact O-N 3.08Å; S89-I111 PolarHBondContact N-O 3.31Å
90	G	96.1	Very high	98	Very high	8 Å²	8	10 Å²	10	8%	0.082	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-133.2	177.8	0	0	0	0	0	111.1	G88 G92 E112 V117	G88-G90 PolarHBondContact O-N 2.95Å; G88-G90 VanDerWaalsContact O-N 3.16Å; G90-G92 PolarHBondContact O-N 2.9Å; G90-E112 PolarHBondContact N-OE2 2.9Å; G90-V117 WeakPolarHBondContact O-CG1 3.26Å
91	T	97.2	Very high	98	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	0.4	-178.8	60.8	0	0	0	0	115.4	Y41 I61 L63 S89 Y93 Y120 A121	Y41-T91 WeakPolarHBondContact CD1-O 3.32Å; I61-T91 HydrophobicContact CG2-CG2 3.43Å; I61-T91 VanDerWaalsContact CG2-CG2 3.43Å; L63-T91 HydrophobicContact CD1-CG2 3.21Å; L63-T91 VanDerWaalsContact CD1-OG1 3.28Å; L63-T91 WeakPolarHBondContact CD1-OG1 3.31Å; L63-T91 HydrophobicContact CG-CG2 4.32Å; S89-T91 PolarHBondContact O-N 3.18Å; T91-Y93 PolarHBondContact O-N 2.87Å; T91-Y120 HydrophobicContact CG2-CD1 3.74Å; T91-Y120 HydrophobicContact CG2-CE1 3.44Å; T91-Y120 VanDerWaalsContact CG2-CE1 3.44Å; T91-A121 WeakPolarHBondContact O-CA 3.36Å
92	G	98.1	Very high	98.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	78.2	-4.7	-175.7	0	0	0	0	0	114.6	S89 G90 L94 S95 T96	S89-G92 PolarHBondContact O-N 2.77Å; S89-G92 VanDerWaalsContact O-N 3.08Å; G90-G92 PolarHBondContact O-N 2.9Å; G92-L94 PolarHBondContact O-N 3.31Å; G92-S95 CarbonylContact O-C 3.55Å; G92-S95 WeakPolarHBondContact O-CA 3.36Å; G92-S95 WeakPolarHBondContact O-CB 3.48Å; G92-S95 PolarHBondContact O-N 2.8Å; G92-T96 PolarHBondContact O-N 3.45Å; G92-T96 PolarHBondContact O-OG1 2.82Å; G92-T96 VanDerWaalsContact O-OG1 3.06Å
93	Y	98.6	Very high	98	Very high	3 Å²	3	3.6 Å²	3.6	1%	0.012	3%	0.028	C	C	.	.	H	α-helix	trans	-51.1	-52.4	-177.4	177	-114.3	0	0	0	113.4	I36 R38 Y41 L63 Y69 T91 T96 M97	I36-Y93 HydrophobicContact CB-CE2 4.27Å; I36-Y93 HydrophobicContact CG2-CD2 3.88Å; I36-Y93 HydrophobicContact CG2-CE2 3.67Å; R38-Y93 HydrophobicContact CB-CE2 4.1Å; R38-Y93 HydrophobicContact CG-CE1 4.43Å; Y41-Y93 HydrophobicContact CD1-CD2 4.21Å; Y41-Y93 HydrophobicContact CD1-CG 4.4Å; Y41-Y93 AromaticContact CD2-CD2 3.52Å; Y41-Y93 HydrophobicContact CD2-CD2 3.52Å; Y41-Y93 HydrophobicContact CD2-CE2 4.28Å; Y41-Y93 HydrophobicContact CD2-CG 4.42Å; Y41-Y93 VanDerWaalsContact CE1-CA 3.46Å; Y41-Y93 AromaticContact CE2-CD2 3.93Å; Y41-Y93 HydrophobicContact CE2-CD2 3.93Å; Y41-Y93 AromaticContact CG-CD2 3.68Å; Y41-Y93 HydrophobicContact CG-CD2 3.68Å; Y41-Y93 HydrophobicContact CG-CG 4.15Å; L63-Y93 HydrophobicContact CD2-CD1 4.47Å; L63-Y93 HydrophobicContact CD2-CG 4.45Å; Y69-Y93 AromaticContact CD2-CD1 3.8Å; Y69-Y93 HydrophobicContact CD2-CD1 3.8Å; Y69-Y93 AromaticContact CD2-CE1 3.89Å; Y69-Y93 HydrophobicContact CD2-CE1 3.89Å; Y69-Y93 AromaticContact CE2-CD1 3.66Å; Y69-Y93 HydrophobicContact CE2-CD1 3.66Å; Y69-Y93 HydrophobicContact CE2-CE1 4.19Å; T91-Y93 PolarHBondContact O-N 2.87Å; Y93-T96 PolarHBondContact O-N 2.94Å; Y93-M97 HydrophobicContact CD1-CE 3.58Å; Y93-M97 HydrophobicContact CE1-CE 3.21Å; Y93-M97 HydrophobicContact CE1-SD 3.9Å; Y93-M97 HydrophobicContact CE2-CE 4.35Å; Y93-M97 HydrophobicContact CE2-SD 4.25Å; Y93-M97 HydrophobicContact CG-CE 4.29Å; Y93-M97 PolarHBondContact O-N 3.02Å; Y93-M97 VanDerWaalsContact O-N 3.12Å
94	L	98.7	Very high	97.8	Very high	2 Å²	2	3.8 Å²	3.8	1%	0.01	3%	0.03	C	C	.	.	H	α-helix	trans	-62.2	-45.4	176.5	-177.2	73.8	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 3.86Å; Y69-L94 HydrophobicContact CD1-CD2 4.23Å; Y69-L94 HydrophobicContact CD1-CG 4.36Å; Y69-L94 HydrophobicContact CE1-CB 4.07Å; Y69-L94 HydrophobicContact CE1-CD1 4.47Å; Y69-L94 HydrophobicContact CE1-CD2 4.23Å; Y69-L94 HydrophobicContact CE1-CG 4.49Å; Y69-L94 HydrophobicContact CG-CD1 4.18Å; V72-L94 HydrophobicContact CG1-CD2 4.36Å; M73-L94 HydrophobicContact CG-CD1 3.78Å; M73-L94 HydrophobicContact SD-CD1 3.8Å; F84-L94 HydrophobicContact CZ-CD2 4.4Å; G92-L94 PolarHBondContact O-N 3.31Å; L94-T96 VanDerWaalsContact C-N 3.29Å; L94-T96 PolarHBondContact O-N 3.25Å; L94-M97 HydrophobicContact CD1-CE 4.07Å; L94-M97 PolarHBondContact O-N 3.06Å; L94-M97 VanDerWaalsContact O-N 3.17Å; L94-V98 HydrophobicContact CD1-CG2 4.5Å; L94-V98 HydrophobicContact CG-CG2 4.27Å; L94-V98 VanDerWaalsContact O-CG2 3.27Å; L94-V98 WeakPolarHBondContact O-CG2 3.32Å; L94-V98 PolarHBondContact O-N 2.84Å; L94-Y164 HydrophobicContact CD2-CD1 3.23Å; L94-Y164 HydrophobicContact CD2-CE1 3.53Å; L94-Y164 HydrophobicContact CD2-CG 4.07Å
95	S	98.7	Very high	97.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.4	-36.7	-179.5	-66.9	0	0	0	0	112.1	N86 G92 G99 N108	N86-S95 PolarHBondContact ND2-OG 2.84Å; G92-S95 CarbonylContact O-C 3.55Å; G92-S95 WeakPolarHBondContact O-CA 3.36Å; G92-S95 WeakPolarHBondContact O-CB 3.48Å; G92-S95 PolarHBondContact O-N 2.8Å; S95-G99 PolarHBondContact O-N 2.92Å; S95-N108 PolarHBondContact O-ND2 3.44Å
96	T	98.7	Very high	97.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.4	-43.9	174.3	-47.2	0	0	0	0	111.1	I36 Y41 G92 Y93 L94 V98 G99 L100 L125 F128 F140	I36-T96 VanDerWaalsContact CD1-C 3.4Å; I36-T96 HydrophobicContact CD1-CG2 3.42Å; I36-T96 VanDerWaalsContact CD1-CG2 3.42Å; Y41-T96 WeakPolarHBondContact OH-CB 3.4Å; Y41-T96 VanDerWaalsContact OH-CG2 3.26Å; Y41-T96 WeakPolarHBondContact OH-CG2 3.37Å; Y41-T96 PolarHBondContact OH-OG1 2.85Å; G92-T96 PolarHBondContact O-N 3.45Å; G92-T96 PolarHBondContact O-OG1 2.82Å; G92-T96 VanDerWaalsContact O-OG1 3.06Å; Y93-T96 PolarHBondContact O-N 2.94Å; L94-T96 VanDerWaalsContact C-N 3.29Å; L94-T96 PolarHBondContact O-N 3.25Å; T96-V98 VanDerWaalsContact C-N 3.35Å; T96-V98 PolarHBondContact O-N 3.32Å; T96-G99 WeakPolarHBondContact O-CA 3.41Å; T96-G99 PolarHBondContact O-N 3.18Å; T96-L100 PolarHBondContact O-N 2.87Å; T96-L125 HydrophobicContact CG2-CD1 4.21Å; T96-F128 HydrophobicContact CG2-CD1 3.65Å; T96-F128 HydrophobicContact CG2-CE1 3.89Å; T96-F128 HydrophobicContact CG2-CG 4.02Å; T96-F128 HydrophobicContact CG2-CZ 4.46Å; T96-F140 HydrophobicContact CG2-CE2 3.83Å; T96-F140 HydrophobicContact CG2-CZ 3.77Å; T96-F140 WeakPolarHBondContact O-CE2 3.23Å
97	M	98.7	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.7	-44.2	175.6	-74.2	-172.6	-66	0	0	111.8	A32 F33 I36 M73 Y93 L94 G99 L100	A32-M97 HydrophobicContact CB-CB 4.41Å; F33-M97 HydrophobicContact CD1-SD 3.94Å; F33-M97 HydrophobicContact CD2-SD 3.91Å; F33-M97 HydrophobicContact CE1-CE 4.31Å; F33-M97 HydrophobicContact CE1-SD 4.11Å; F33-M97 HydrophobicContact CE2-CE 4.39Å; F33-M97 HydrophobicContact CE2-SD 4.07Å; F33-M97 HydrophobicContact CG-SD 3.86Å; F33-M97 HydrophobicContact CZ-CE 4.14Å; F33-M97 HydrophobicContact CZ-SD 4.16Å; I36-M97 HydrophobicContact CB-CG 4.12Å; I36-M97 HydrophobicContact CD1-CB 4.21Å; I36-M97 HydrophobicContact CD1-CG 3.7Å; I36-M97 VanDerWaalsContact CD1-N 3.31Å; I36-M97 HydrophobicContact CG1-CG 4.24Å; M73-M97 HydrophobicContact CE-CB 4Å; Y93-M97 HydrophobicContact CD1-CE 3.58Å; Y93-M97 HydrophobicContact CE1-CE 3.21Å; Y93-M97 HydrophobicContact CE1-SD 3.9Å; Y93-M97 HydrophobicContact CE2-CE 4.35Å; Y93-M97 HydrophobicContact CE2-SD 4.25Å; Y93-M97 HydrophobicContact CG-CE 4.29Å; Y93-M97 PolarHBondContact O-N 3.02Å; Y93-M97 VanDerWaalsContact O-N 3.12Å; L94-M97 HydrophobicContact CD1-CE 4.07Å; L94-M97 PolarHBondContact O-N 3.06Å; L94-M97 VanDerWaalsContact O-N 3.17Å; M97-G99 PolarHBondContact O-N 3.22Å; M97-L100 PolarHBondContact O-N 3.44Å
98	V	98.8	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-38.6	174.7	173.8	0	0	0	0	110.5	M73 L78 F84 L94 T96 L100 I101 L102	M73-V98 HydrophobicContact SD-CG2 3.6Å; M73-V98 VanDerWaalsContact SD-CG2 3.6Å; L78-V98 HydrophobicContact CD1-CB 4.37Å; L78-V98 HydrophobicContact CD1-CG1 4.1Å; L78-V98 HydrophobicContact CD1-CG2 3.74Å; L78-V98 HydrophobicContact CD2-CG1 3.95Å; F84-V98 HydrophobicContact CB-CG1 4.05Å; F84-V98 HydrophobicContact CD1-CB 4.06Å; F84-V98 HydrophobicContact CD1-CG1 3.47Å; F84-V98 VanDerWaalsContact CD1-CG1 3.47Å; F84-V98 HydrophobicContact CD1-CG2 4.22Å; F84-V98 HydrophobicContact CD2-CG1 4.42Å; F84-V98 HydrophobicContact CE1-CB 4.04Å; F84-V98 HydrophobicContact CE1-CG1 3.93Å; F84-V98 HydrophobicContact CE1-CG2 3.79Å; F84-V98 HydrophobicContact CG-CG1 3.73Å; F84-V98 HydrophobicContact CZ-CG2 4.02Å; L94-V98 HydrophobicContact CD1-CG2 4.5Å; L94-V98 HydrophobicContact CG-CG2 4.27Å; L94-V98 VanDerWaalsContact O-CG2 3.27Å; L94-V98 WeakPolarHBondContact O-CG2 3.32Å; L94-V98 PolarHBondContact O-N 2.84Å; T96-V98 VanDerWaalsContact C-N 3.35Å; T96-V98 PolarHBondContact O-N 3.32Å; V98-L100 VanDerWaalsContact C-N 3.27Å; V98-L100 PolarHBondContact O-N 2.85Å; V98-I101 PolarHBondContact O-N 3.14Å; V98-L102 HydrophobicContact CG1-CD1 3.62Å; V98-L102 HydrophobicContact CG1-CD2 4.44Å; V98-L102 HydrophobicContact CG1-CG 3.75Å; V98-L102 WeakPolarHBondContact O-CG 3.32Å; V98-L102 PolarHBondContact O-N 3.03Å
99	G	98.5	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-55.6	-38.8	176.6	0	0	0	0	0	113.8	S95 T96 M97 I101 G103 C141	S95-G99 PolarHBondContact O-N 2.92Å; T96-G99 WeakPolarHBondContact O-CA 3.41Å; T96-G99 PolarHBondContact O-N 3.18Å; M97-G99 PolarHBondContact O-N 3.22Å; G99-I101 VanDerWaalsContact C-N 3.28Å; G99-I101 PolarHBondContact O-N 3.43Å; G99-G103 PolarHBondContact O-N 3.06Å; G99-C141 WeakPolarHBondContact CA-O 3.49Å; G99-C141 PolarHBondContact O-N 3.07Å
100	L	98.3	Very high	97.7	Very high	12 Å²	12	11.3 Å²	11.3	6%	0.063	6%	0.06	C	C	.	.	H	α-helix	trans	-68.1	-26.9	176.5	-58.2	177.8	0	0	0	113.1	A35 I36 T96 M97 V98 F128 F138 F140	A35-L100 HydrophobicContact CB-CD1 3.51Å; I36-L100 HydrophobicContact CD1-CD1 3.62Å; I36-L100 HydrophobicContact CD1-CG 4.19Å; I36-L100 HydrophobicContact CG1-CD1 3.6Å; T96-L100 PolarHBondContact O-N 2.87Å; M97-L100 PolarHBondContact O-N 3.44Å; V98-L100 VanDerWaalsContact C-N 3.27Å; V98-L100 PolarHBondContact O-N 2.85Å; L100-F128 HydrophobicContact CD2-CE1 4.24Å; L100-F128 HydrophobicContact CD2-CZ 3.83Å; L100-F138 HydrophobicContact CB-CB 4.45Å; L100-F138 HydrophobicContact CB-CD1 4.1Å; L100-F138 HydrophobicContact CB-CG 4.36Å; L100-F138 HydrophobicContact CD1-CG 4.41Å; L100-F138 HydrophobicContact CD2-CB 3.54Å; L100-F138 HydrophobicContact CD2-CD2 4.46Å; L100-F138 HydrophobicContact CD2-CG 3.95Å; L100-F138 HydrophobicContact CG-CB 4.47Å; L100-F138 HydrophobicContact CG-CG 4.48Å; L100-F140 HydrophobicContact CD2-CD2 3.53Å; L100-F140 HydrophobicContact CD2-CE2 4.09Å; L100-F140 HydrophobicContact CD2-CG 4.41Å; L100-F140 HydrophobicContact CG-CD2 4.19Å; L100-F140 HydrophobicContact CG-CE2 4.44Å
101	I	98.4	Very high	97.8	Very high	10 Å²	10	11 Å²	11	5%	0.051	6%	0.056	C	C	.	.	H	α-helix	trans	-84.3	-41.6	179.1	-63.7	-176.8	0	0	0	111.6	R28 A32 M73 L78 V98 G99 G103	R28-I101 HydrophobicContact CG-CD1 4.2Å; R28-I101 HydrophobicContact CG-CG1 3.97Å; R28-I101 HydrophobicContact CG-CG2 4.29Å; A32-I101 HydrophobicContact CB-CD1 4.05Å; A32-I101 HydrophobicContact CB-CG1 4.02Å; M73-I101 HydrophobicContact CE-CD1 3.38Å; M73-I101 HydrophobicContact CE-CG1 4.47Å; L78-I101 HydrophobicContact CB-CB 4.36Å; L78-I101 HydrophobicContact CB-CD1 4.49Å; L78-I101 HydrophobicContact CB-CG2 3.46Å; L78-I101 VanDerWaalsContact CB-CG2 3.46Å; L78-I101 HydrophobicContact CD1-CD1 4.23Å; V98-I101 PolarHBondContact O-N 3.14Å; G99-I101 VanDerWaalsContact C-N 3.28Å; G99-I101 PolarHBondContact O-N 3.43Å; I101-G103 VanDerWaalsContact C-N 3.34Å
102	L	98.3	Very high	97.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-71.1	-30.4	-177	-66.2	-176.1	0	0	0	112.7	L78 Q79 P80 G81 L82 F84 V98 I107 N108 C141	L78-L102 HydrophobicContact CD2-CD2 4.17Å; Q79-L102 VanDerWaalsContact O-CD2 3.31Å; Q79-L102 WeakPolarHBondContact O-CD2 3.42Å; P80-L102 CarbonylContact C-O 3.55Å; P80-L102 VanDerWaalsContact CA-O 3.22Å; P80-L102 WeakPolarHBondContact CA-O 3.45Å; G81-L102 PolarHBondContact N-O 2.99Å; L82-L102 HydrophobicContact CB-CD2 3.85Å; F84-L102 HydrophobicContact CB-CD1 3.77Å; V98-L102 HydrophobicContact CG1-CD1 3.62Å; V98-L102 HydrophobicContact CG1-CD2 4.44Å; V98-L102 HydrophobicContact CG1-CG 3.75Å; V98-L102 WeakPolarHBondContact O-CG 3.32Å; V98-L102 PolarHBondContact O-N 3.03Å; L102-I107 WeakPolarHBondContact CD1-O 3.36Å; L102-N108 HydrophobicContact CD1-CB 4.15Å; L102-C141 HydrophobicContact CB-CB 3.77Å; L102-C141 HydrophobicContact CD1-CB 4.5Å
103	G	96.1	Very high	97.7	Very high	5 Å²	5	14.8 Å²	14.8	5%	0.052	8%	0.075	C	C	.	.			trans	63.9	-179.2	-177.5	0	0	0	0	0	113.6	G99 I101 F105 G106 C141	G99-G103 PolarHBondContact O-N 3.06Å; I101-G103 VanDerWaalsContact C-N 3.34Å; G103-F105 PolarHBondContact O-N 3.08Å; G103-G106 PolarHBondContact O-N 3.29Å; G103-G106 VanDerWaalsContact O-N 3.08Å; G103-C141 WeakPolarHBondContact O-CB 3.49Å
104	P	94.6	Very high	97.6	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.039	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.8	-165.5	24	-37.3	0	0	0	114.8	R241 I249	P104-R241 PolarHBondContact O-NE 3.16Å; P104-R241 PolarHBondContact O-NH2 3.5Å; P104-I249 HydrophobicContact CB-CD1 3.6Å; P104-I249 HydrophobicContact CB-CG1 4.06Å; P104-I249 HydrophobicContact CB-CG2 4.09Å; P104-I249 HydrophobicContact CG-CD1 4.42Å; P104-I249 HydrophobicContact CG-CG2 3.7Å
105	F	94.9	Very high	97.5	Very high	119 Å²	119	20.6 Å²	20.6	52%	0.522	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.3	-176.2	-54.1	-65.3	0	0	0	113.9	G103 L246 I249	G103-F105 PolarHBondContact O-N 3.08Å; F105-L246 HydrophobicContact CE1-CD2 3.71Å; F105-L246 HydrophobicContact CZ-CD2 4.45Å; F105-I249 HydrophobicContact CZ-CG2 4.48Å
106	G	96.5	Very high	97.5	Very high	10 Å²	10	24 Å²	24	10%	0.103	13%	0.127	C	C	.	.	S	Bend	trans	-78.7	175.2	172.6	0	0	0	0	0	113	L82 G103 C141	L82-G106 VanDerWaalsContact O-CA 3.26Å; L82-G106 WeakPolarHBondContact O-CA 3.23Å; G103-G106 PolarHBondContact O-N 3.29Å; G103-G106 VanDerWaalsContact O-N 3.08Å; G106-C141 PolarHBondContact O-SG 3.39Å
107	I	97.5	Very high	97.4	Very high	46 Å²	46	24 Å²	24	24%	0.236	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134	170.2	-65.1	153.1	0	0	0	107.4	L82 S83 F84 L102 H109 Y160 C238	L82-I107 PolarHBondContact O-N 3.33Å; L82-I107 VanDerWaalsContact O-N 3.1Å; S83-I107 CarbonylContact C-O 3.47Å; S83-I107 WeakPolarHBondContact CA-O 3.37Å; F84-I107 PolarHBondContact N-O 2.96Å; L102-I107 WeakPolarHBondContact CD1-O 3.36Å; I107-H109 WeakPolarHBondContact CG2-NE2 3.38Å; I107-Y160 HydrophobicContact CG2-CE1 4.26Å; I107-C238 HydrophobicContact CD1-CB 4.27Å; I107-C238 WeakPolarHBondContact CD1-SG 3.08Å
108	N	98.2	Very high	97.4	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	95	-174.7	-174.4	0.8	0	0	0	109.5	F84 S95 L102 C141 P143 A144	F84-N108 WeakPolarHBondContact CD1-OD1 3.15Å; S95-N108 PolarHBondContact O-ND2 3.44Å; L102-N108 HydrophobicContact CD1-CB 4.15Å; N108-C141 HydrophobicContact CB-CB 4.38Å; N108-C141 VanDerWaalsContact CB-SG 3.57Å; N108-C141 PolarHBondContact ND2-O 3.22Å; N108-P143 HydrophobicContact CB-CB 4.47Å; N108-P143 CarbonylContact O-C 3.52Å; N108-P143 WeakPolarHBondContact O-CA 3.36Å; N108-A144 PolarHBondContact O-N 2.99Å
109	H	98.3	Very high	97.4	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.06	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.7	-178.9	-65.5	170.9	0	0	0	110.4	F84 L85 N86 I107 A144 H158 Y160 L235 P236	F84-H109 PolarHBondContact O-N 3.33Å; L85-H109 CarbonylContact C-O 3.51Å; L85-H109 WeakPolarHBondContact CA-O 3.32Å; L85-H109 HydrophobicContact CD1-CB 4.02Å; N86-H109 PolarHBondContact N-O 2.9Å; I107-H109 WeakPolarHBondContact CG2-NE2 3.38Å; H109-A144 WeakPolarHBondContact CA-O 3.49Å; H109-H158 AromaticContact CE1-CE1 3.87Å; H109-H158 AromaticContact CE1-NE2 3.44Å; H109-H158 PolarHBondContact CE1-NE2 2.72Å; H109-H158 AromaticContact ND1-CE1 3.85Å; H109-H158 AromaticContact ND1-NE2 3.67Å; H109-Y160 HydrophobicContact CB-CE1 4.33Å; H109-Y160 AromaticContact ND1-CZ 3.84Å; H109-Y160 PolarHBondContact ND1-OH 3.41Å; H109-L235 HydrophobicContact CB-CD2 4.32Å; H109-P236 PolarHBondContact CE1-O 2.68Å
110	G	97.9	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.7	173.2	0	0	0	0	0	110.9	N86 A144 F145 V146	N86-G110 WeakPolarHBondContact O-CA 3.46Å; G110-A144 PolarHBondContact N-O 3.46Å; G110-F145 CarbonylContact O-C 3.59Å; G110-F145 WeakPolarHBondContact O-CA 3.39Å; G110-V146 PolarHBondContact O-N 2.93Å
111	I	97.9	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132	170.8	-56	178.8	0	0	0	107.7	L85 N86 L87 G88 S89 V146 G148 I153 V233 L235	L85-I111 HydrophobicContact CD1-CD1 4.27Å; L85-I111 HydrophobicContact CD1-CG1 4.25Å; N86-I111 PolarHBondContact O-N 3.03Å; L87-I111 HydrophobicContact CD2-CD1 4Å; G88-I111 VanDerWaalsContact CA-O 3.28Å; G88-I111 WeakPolarHBondContact CA-O 3.28Å; G88-I111 PolarHBondContact N-O 2.69Å; S89-I111 PolarHBondContact N-O 3.31Å; I111-V146 WeakPolarHBondContact CA-O 3.38Å; I111-G148 VanDerWaalsContact CG2-O 3.25Å; I111-G148 WeakPolarHBondContact CG2-O 3.4Å; I111-I153 HydrophobicContact CD1-CD1 3.49Å; I111-I153 VanDerWaalsContact CD1-CD1 3.49Å; I111-I153 HydrophobicContact CD1-CG1 3.53Å; I111-V233 HydrophobicContact CD1-CG1 4.31Å; I111-V233 HydrophobicContact CG2-CG1 4.42Å; I111-L235 HydrophobicContact CD1-CD1 4.37Å; I111-L235 HydrophobicContact CD1-CD2 3.84Å; I111-L235 HydrophobicContact CD1-CG 4.43Å; I111-L235 HydrophobicContact CG1-CD2 3.71Å
112	E	97.7	Very high	97.4	Very high	20 Å²	20	34.2 Å²	34.2	9%	0.093	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140.5	174.9	172.3	55	-116.6	0	0	109.6	G90 H114 V117 V118 V146 V147 G148	G90-E112 PolarHBondContact N-OE2 2.9Å; E112-H114 IonicContact OE1-CD2 3.63Å; E112-H114 PolarHBondContact OE1-N 3.47Å; E112-V117 HydrophobicContact CG-CB 3.74Å; E112-V117 HydrophobicContact CG-CG1 3.72Å; E112-V118 HydrophobicContact CB-CG2 3.62Å; E112-V118 HydrophobicContact CG-CG2 4Å; E112-V146 PolarHBondContact N-O 2.92Å; E112-V147 CarbonylContact O-C 3.58Å; E112-V147 VanDerWaalsContact O-CA 3.29Å; E112-V147 WeakPolarHBondContact O-CA 3.48Å; E112-G148 CarbonylContact C-O 3.45Å; E112-G148 PolarHBondContact O-N 3.46Å
113	L	96.3	Very high	97.4	Very high	60 Å²	60	40 Å²	40	31%	0.314	20%	0.199	S	C	.	.	S	Bend	trans	-71.7	-36.4	-173.8	-178.2	64.6	0	0	0	111.6	G148 N149 V220	L113-G148 WeakPolarHBondContact CA-O 3.22Å; L113-N149 HydrophobicContact CD1-CB 4.2Å; L113-V220 HydrophobicContact CD2-CB 3.74Å; L113-V220 HydrophobicContact CD2-CG1 4.05Å; L113-V220 HydrophobicContact CD2-CG2 3.64Å
114	H	96.8	Very high	97.5	Very high	65 Å²	65	41.8 Å²	41.8	30%	0.301	21%	0.206	S	C	.	.			trans	-98.7	122.4	-169.9	-66.6	-70.7	0	0	0	111.3	N60 E112 D116 V117 V118	N60-H114 HydrophobicContact CB-CB 4.18Å; E112-H114 IonicContact OE1-CD2 3.63Å; E112-H114 PolarHBondContact OE1-N 3.47Å; H114-D116 WeakPolarHBondContact CB-OD1 3.24Å; H114-D116 PolarHBondContact O-N 3.33Å; H114-V117 HydrophobicContact CB-CB 4.04Å; H114-V117 HydrophobicContact CB-CG2 3.61Å; H114-V117 PolarHBondContact O-N 2.69Å; H114-V117 VanDerWaalsContact O-N 3.14Å; H114-V118 PolarHBondContact O-N 3.09Å; H114-V118 VanDerWaalsContact O-N 3.12Å
115	S	97.1	Very high	97.7	Very high	63 Å²	63	41.8 Å²	41.8	44%	0.441	21%	0.206	S	C	.	.	H	α-helix	trans	-64	-38.9	-176.9	57.5	0	0	0	0	113	V117 V118 E119	S115-V117 PolarHBondContact O-N 3.41Å; S115-V118 PolarHBondContact O-N 2.95Å; S115-E119 WeakPolarHBondContact O-CG 3.48Å; S115-E119 PolarHBondContact O-N 3.35Å
116	D	97.7	Very high	97.8	Very high	70 Å²	70	42.5 Å²	42.5	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-59.9	-34.9	174.3	56	-47.9	0	0	0	111.9	N60 H114 Y120	N60-D116 PolarHBondContact ND2-OD1 2.88Å; N60-D116 PolarHBondContact ND2-OD2 3.44Å; H114-D116 WeakPolarHBondContact CB-OD1 3.24Å; H114-D116 PolarHBondContact O-N 3.33Å; D116-Y120 WeakPolarHBondContact O-CB 3.5Å; D116-Y120 PolarHBondContact O-N 3.47Å
117	V	98.1	Very high	97.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-74.8	-36.1	177.4	-176	0	0	0	0	111.3	N60 I61 G90 E112 H114 S115 Y120 A121	N60-V117 HydrophobicContact CB-CG2 3.49Å; N60-V117 VanDerWaalsContact CB-CG2 3.49Å; I61-V117 HydrophobicContact CG1-CG2 4.29Å; G90-V117 WeakPolarHBondContact O-CG1 3.26Å; E112-V117 HydrophobicContact CG-CB 3.74Å; E112-V117 HydrophobicContact CG-CG1 3.72Å; H114-V117 HydrophobicContact CB-CB 4.04Å; H114-V117 HydrophobicContact CB-CG2 3.61Å; H114-V117 PolarHBondContact O-N 2.69Å; H114-V117 VanDerWaalsContact O-N 3.14Å; S115-V117 PolarHBondContact O-N 3.41Å; V117-Y120 PolarHBondContact O-N 3.45Å; V117-A121 WeakPolarHBondContact O-CB 3.34Å; V117-A121 PolarHBondContact O-N 2.98Å
118	V	98.4	Very high	97.7	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-42.7	172.9	170.5	0	0	0	0	111.7	E112 H114 S115 A121 K122 F145 V147	E112-V118 HydrophobicContact CB-CG2 3.62Å; E112-V118 HydrophobicContact CG-CG2 4Å; H114-V118 PolarHBondContact O-N 3.09Å; H114-V118 VanDerWaalsContact O-N 3.12Å; S115-V118 PolarHBondContact O-N 2.95Å; V118-A121 PolarHBondContact O-N 2.71Å; V118-K122 HydrophobicContact CG1-CD 4.24Å; V118-K122 WeakPolarHBondContact O-CG 3.46Å; V118-K122 PolarHBondContact O-N 2.86Å; V118-F145 HydrophobicContact CG1-CB 3.95Å; V118-V147 HydrophobicContact CB-CG2 3.86Å; V118-V147 HydrophobicContact CG1-CG2 4.04Å; V118-V147 HydrophobicContact CG2-CG2 3.71Å
119	E	98.3	Very high	97.5	Very high	118 Å²	118	44 Å²	44	55%	0.551	22%	0.22	S	C	*	.	H	α-helix	trans	-59.2	-49.5	174.6	-74.2	171.6	-170.3	0	0	110.4	S115 A121 K122 E123	S115-E119 WeakPolarHBondContact O-CG 3.48Å; S115-E119 PolarHBondContact O-N 3.35Å; E119-A121 VanDerWaalsContact C-N 3.33Å; E119-A121 PolarHBondContact O-N 3.16Å; E119-K122 WeakPolarHBondContact O-CB 3.22Å; E119-K122 PolarHBondContact O-N 2.93Å; E119-K122 VanDerWaalsContact O-N 3.14Å; E119-E123 WeakPolarHBondContact O-CG 3.31Å; E119-E123 PolarHBondContact O-N 3.32Å
120	Y	98.4	Very high	97.2	Very high	19 Å²	19	49.6 Å²	49.6	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-43.4	175.2	-175.7	-96.6	0	0	0	112.9	Y41 Y42 L43 I61 T91 D116 V117 K122 E123 K124	Y41-Y120 PolarHBondContact O-OH 3.24Å; Y42-Y120 PolarHBondContact O-OH 3.43Å; Y42-Y120 VanDerWaalsContact O-OH 3.08Å; L43-Y120 HydrophobicContact CD2-CE2 3.71Å; L43-Y120 HydrophobicContact CG-CE2 4.41Å; L43-Y120 PolarHBondContact N-OH 2.95Å; I61-Y120 HydrophobicContact CD1-CD1 4Å; I61-Y120 HydrophobicContact CD1-CD2 3.82Å; I61-Y120 HydrophobicContact CD1-CE1 4.19Å; I61-Y120 HydrophobicContact CD1-CE2 4Å; I61-Y120 HydrophobicContact CD1-CG 3.79Å; I61-Y120 HydrophobicContact CG1-CD1 4.47Å; I61-Y120 HydrophobicContact CG2-CE1 4.42Å; T91-Y120 HydrophobicContact CG2-CD1 3.74Å; T91-Y120 HydrophobicContact CG2-CE1 3.44Å; T91-Y120 VanDerWaalsContact CG2-CE1 3.44Å; D116-Y120 WeakPolarHBondContact O-CB 3.5Å; D116-Y120 PolarHBondContact O-N 3.47Å; V117-Y120 PolarHBondContact O-N 3.45Å; Y120-K122 VanDerWaalsContact C-N 3.33Å; Y120-K122 PolarHBondContact O-N 2.77Å; Y120-E123 PolarHBondContact O-N 2.95Å; Y120-K124 HydrophobicContact CD1-CG 4.15Å; Y120-K124 HydrophobicContact CE1-CD 4.47Å; Y120-K124 HydrophobicContact CE1-CG 3.8Å; Y120-K124 WeakPolarHBondContact O-CG 3.42Å; Y120-K124 PolarHBondContact O-N 2.86Å; Y120-K124 WeakPolarHBondContact OH-CE 3.44Å
121	A	98.4	Very high	96.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-39.5	177.9	0	0	0	0	0	112.6	T91 V117 V118 E119 L125 F145	T91-A121 WeakPolarHBondContact O-CA 3.36Å; V117-A121 WeakPolarHBondContact O-CB 3.34Å; V117-A121 PolarHBondContact O-N 2.98Å; V118-A121 PolarHBondContact O-N 2.71Å; E119-A121 VanDerWaalsContact C-N 3.33Å; E119-A121 PolarHBondContact O-N 3.16Å; A121-L125 WeakPolarHBondContact O-CB 3.25Å; A121-L125 PolarHBondContact O-N 3.28Å; A121-F145 HydrophobicContact CB-CD2 4.04Å; A121-F145 HydrophobicContact CB-CE1 4.47Å; A121-F145 HydrophobicContact CB-CE2 3.97Å; A121-F145 HydrophobicContact CB-CG 4.32Å; A121-F145 HydrophobicContact CB-CZ 4.2Å
122	K	98.5	Very high	96.6	Very high	97 Å²	97	54.7 Å²	54.7	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-44.2	175.4	-71.6	172.5	179.4	176.4	0	111.5	V118 E119 Y120 K124 L125 E126 F145	V118-K122 HydrophobicContact CG1-CD 4.24Å; V118-K122 WeakPolarHBondContact O-CG 3.46Å; V118-K122 PolarHBondContact O-N 2.86Å; E119-K122 WeakPolarHBondContact O-CB 3.22Å; E119-K122 PolarHBondContact O-N 2.93Å; E119-K122 VanDerWaalsContact O-N 3.14Å; Y120-K122 VanDerWaalsContact C-N 3.33Å; Y120-K122 PolarHBondContact O-N 2.77Å; K122-K124 VanDerWaalsContact C-N 3.34Å; K122-K124 PolarHBondContact O-N 3.44Å; K122-L125 WeakPolarHBondContact O-CB 3.34Å; K122-L125 PolarHBondContact O-N 2.97Å; K122-E126 WeakPolarHBondContact O-CG 3.15Å; K122-E126 PolarHBondContact O-N 3.38Å; K122-F145 HydrophobicContact CG-CD2 4.17Å
123	E	98.3	Very high	96.1	Very high	122 Å²	122	55.8 Å²	55.8	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-59.6	-43.9	176	-70.8	177.9	174.5	0	0	112	E119 Y120 E126 S127	E119-E123 WeakPolarHBondContact O-CG 3.31Å; E119-E123 PolarHBondContact O-N 3.32Å; Y120-E123 PolarHBondContact O-N 2.95Å; E123-E126 PolarHBondContact O-N 3.27Å; E123-S127 WeakPolarHBondContact O-CB 3.39Å; E123-S127 PolarHBondContact O-N 3.44Å
124	K	98	Very high	95.9	Very high	43 Å²	43	53.8 Å²	53.8	19%	0.187	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-39.1	176.5	-66.2	-51.6	-170.3	167.6	0	112.4	D40 Y41 Y42 Y120 K122 S127 F128	D40-K124 VanDerWaalsContact O-CD 3.23Å; D40-K124 WeakPolarHBondContact O-CD 3.39Å; D40-K124 WeakPolarHBondContact O-CE 3.33Å; D40-K124 PolarHBondContact O-NZ 3.4Å; Y41-K124 HydrophobicContact CD1-CB 3.8Å; Y41-K124 HydrophobicContact CD1-CG 4.13Å; Y41-K124 HydrophobicContact CE1-CB 3.66Å; Y41-K124 HydrophobicContact CE1-CG 4.48Å; Y42-K124 PolarHBondContact O-NZ 3.48Å; Y120-K124 HydrophobicContact CD1-CG 4.15Å; Y120-K124 HydrophobicContact CE1-CD 4.47Å; Y120-K124 HydrophobicContact CE1-CG 3.8Å; Y120-K124 WeakPolarHBondContact O-CG 3.42Å; Y120-K124 PolarHBondContact O-N 2.86Å; Y120-K124 WeakPolarHBondContact OH-CE 3.44Å; K122-K124 VanDerWaalsContact C-N 3.34Å; K122-K124 PolarHBondContact O-N 3.44Å; K124-S127 PolarHBondContact O-N 2.87Å; K124-F128 PolarHBondContact O-N 2.81Å
125	L	98.1	Very high	95.7	Very high	7 Å²	7	51 Å²	51	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-47.3	174.5	177.9	64.2	0	0	0	112	T96 A121 K122 S127 F128 I129 F140 E142 P143 F145	T96-L125 HydrophobicContact CG2-CD1 4.21Å; A121-L125 WeakPolarHBondContact O-CB 3.25Å; A121-L125 PolarHBondContact O-N 3.28Å; K122-L125 WeakPolarHBondContact O-CB 3.34Å; K122-L125 PolarHBondContact O-N 2.97Å; L125-S127 VanDerWaalsContact C-N 3.32Å; L125-S127 PolarHBondContact O-N 3.17Å; L125-F128 WeakPolarHBondContact O-CB 3.42Å; L125-F128 PolarHBondContact O-N 3.2Å; L125-I129 HydrophobicContact CD1-CD1 4.15Å; L125-I129 HydrophobicContact CD1-CG1 4.44Å; L125-I129 HydrophobicContact CG-CD1 4.02Å; L125-I129 WeakPolarHBondContact O-CG1 3.16Å; L125-I129 PolarHBondContact O-N 3.35Å; L125-F140 HydrophobicContact CD1-CE1 3.85Å; L125-F140 HydrophobicContact CD1-CZ 3.62Å; L125-E142 HydrophobicContact CD2-CG 3.85Å; L125-P143 HydrophobicContact CD1-CG 3.82Å; L125-P143 HydrophobicContact CD2-CG 3.76Å; L125-P143 HydrophobicContact CG-CG 4.37Å; L125-F145 HydrophobicContact CD2-CE2 4.17Å
126	E	97	Very high	95.4	Very high	134 Å²	134	48.5 Å²	48.5	63%	0.626	24%	0.239	S	C	*	.	H	α-helix	trans	-60.9	-43	176.9	-74.8	-178.5	-174.2	0	0	111.4	K122 E123 F128 I129 K130	K122-E126 WeakPolarHBondContact O-CG 3.15Å; K122-E126 PolarHBondContact O-N 3.38Å; E123-E126 PolarHBondContact O-N 3.27Å; E126-F128 VanDerWaalsContact C-N 3.33Å; E126-F128 PolarHBondContact O-N 3.37Å; E126-I129 PolarHBondContact O-N 3.26Å; E126-K130 VanDerWaalsContact O-CB 3.29Å; E126-K130 WeakPolarHBondContact O-CB 3.35Å; E126-K130 PolarHBondContact O-N 3.07Å
127	S	96.1	Very high	95.1	Very high	52 Å²	52	51.8 Å²	51.8	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-59.8	-43.5	174.2	-173.5	0	0	0	0	111.5	E123 K124 L125 K130 N131	E123-S127 WeakPolarHBondContact O-CB 3.39Å; E123-S127 PolarHBondContact O-N 3.44Å; K124-S127 PolarHBondContact O-N 2.87Å; L125-S127 VanDerWaalsContact C-N 3.32Å; L125-S127 PolarHBondContact O-N 3.17Å; S127-K130 PolarHBondContact O-N 2.89Å; S127-N131 WeakPolarHBondContact O-CA 3.36Å; S127-N131 WeakPolarHBondContact O-CB 3.17Å; S127-N131 PolarHBondContact O-N 3.45Å; S127-N131 PolarHBondContact O-ND2 3.42Å; S127-N131 PolarHBondContact OG-ND2 2.98Å; S127-N131 VanDerWaalsContact OG-ND2 3.14Å
128	F	96.3	Very high	94.9	Very high	12 Å²	12	54.1 Å²	54.1	5%	0.053	26%	0.261	C	S	.	.	H	α-helix	trans	-59.3	-50.1	175	170.8	-104	0	0	0	111.8	I36 T96 L100 K124 L125 E126 K130 S132 F135 F140	I36-F128 HydrophobicContact CD1-CE2 4.44Å; I36-F128 HydrophobicContact CG1-CE2 4Å; I36-F128 HydrophobicContact CG1-CZ 4.44Å; T96-F128 HydrophobicContact CG2-CD1 3.65Å; T96-F128 HydrophobicContact CG2-CE1 3.89Å; T96-F128 HydrophobicContact CG2-CG 4.02Å; T96-F128 HydrophobicContact CG2-CZ 4.46Å; L100-F128 HydrophobicContact CD2-CE1 4.24Å; L100-F128 HydrophobicContact CD2-CZ 3.83Å; K124-F128 PolarHBondContact O-N 2.81Å; L125-F128 WeakPolarHBondContact O-CB 3.42Å; L125-F128 PolarHBondContact O-N 3.2Å; E126-F128 VanDerWaalsContact C-N 3.33Å; E126-F128 PolarHBondContact O-N 3.37Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.12Å; F128-S132 VanDerWaalsContact CD2-CB 3.45Å; F128-S132 WeakPolarHBondContact O-CA 3.18Å; F128-S132 WeakPolarHBondContact O-CB 3.41Å; F128-S132 PolarHBondContact O-N 2.92Å; F128-F135 HydrophobicContact CE1-CB 4.39Å; F128-F135 HydrophobicContact CE1-CD2 4.02Å; F128-F135 HydrophobicContact CZ-CB 4.35Å; F128-F140 HydrophobicContact CD1-CZ 4.22Å; F128-F140 HydrophobicContact CE1-CD2 4.29Å; F128-F140 HydrophobicContact CE1-CE1 4.36Å; F128-F140 AromaticContact CE1-CE2 3.97Å; F128-F140 HydrophobicContact CE1-CE2 3.97Å; F128-F140 HydrophobicContact CE1-CZ 4.01Å
129	I	94.9	Very high	94.7	Very high	26 Å²	26	55.8 Å²	55.8	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-42.6	-179.1	-67.1	168.4	0	0	0	111	L125 E126 F135 F140 E142 R355	L125-I129 HydrophobicContact CD1-CD1 4.15Å; L125-I129 HydrophobicContact CD1-CG1 4.44Å; L125-I129 HydrophobicContact CG-CD1 4.02Å; L125-I129 WeakPolarHBondContact O-CG1 3.16Å; L125-I129 PolarHBondContact O-N 3.35Å; E126-I129 PolarHBondContact O-N 3.26Å; I129-F135 HydrophobicContact CB-CD2 4.41Å; I129-F135 HydrophobicContact CB-CE2 4.35Å; I129-F135 HydrophobicContact CG1-CD2 4.09Å; I129-F135 HydrophobicContact CG1-CE2 3.9Å; I129-F135 HydrophobicContact CG2-CD2 4.43Å; I129-F135 HydrophobicContact CG2-CE1 4.27Å; I129-F135 HydrophobicContact CG2-CE2 4.04Å; I129-F135 HydrophobicContact CG2-CZ 3.95Å; I129-F140 HydrophobicContact CD1-CE1 4.3Å; I129-F140 HydrophobicContact CG1-CE1 4.25Å; I129-E142 HydrophobicContact CD1-CG 4.26Å; I129-R355 WeakPolarHBondContact O-CD 3.48Å; I129-R355 VanDerWaalsContact O-CZ 3.27Å; I129-R355 PolarHBondContact O-NE 3.05Å
130	K	92.1	Very high	94.6	Very high	131 Å²	131	51.2 Å²	51.2	57%	0.57	25%	0.247	S	C	*	.	H	α-helix	trans	-76.7	-44.7	-176.2	-169.5	177	179	176.3	0	112.2	E126 S127 F128 R355	E126-K130 VanDerWaalsContact O-CB 3.29Å; E126-K130 WeakPolarHBondContact O-CB 3.35Å; E126-K130 PolarHBondContact O-N 3.07Å; S127-K130 PolarHBondContact O-N 2.89Å; F128-K130 VanDerWaalsContact C-N 3.34Å; F128-K130 PolarHBondContact O-N 3.12Å; K130-R355 VanDerWaalsContact O-CZ 3.29Å; K130-R355 PolarHBondContact O-NE 3.37Å; K130-R355 PolarHBondContact O-NH2 3.3Å
131	N	90.7	Very high	94.5	Very high	84 Å²	84	50.5 Å²	50.5	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-109.4	-16.7	-162.9	-54	-39.9	0	0	0	113.8	S127 K357	S127-N131 WeakPolarHBondContact O-CA 3.36Å; S127-N131 WeakPolarHBondContact O-CB 3.17Å; S127-N131 PolarHBondContact O-N 3.45Å; S127-N131 PolarHBondContact O-ND2 3.42Å; S127-N131 PolarHBondContact OG-ND2 2.98Å; S127-N131 VanDerWaalsContact OG-ND2 3.14Å; N131-K357 VanDerWaalsContact O-CE 3.28Å; N131-K357 WeakPolarHBondContact O-CE 3.43Å; N131-K357 PolarHBondContact O-NZ 2.91Å
132	S	91.5	Very high	94.4	Very high	23 Å²	23	56 Å²	56	16%	0.161	27%	0.27	C	S	.	.			trans	-86.2	137	179.7	-170.7	0	0	0	0	112	F128 S134 R355	F128-S132 VanDerWaalsContact CD2-CB 3.45Å; F128-S132 WeakPolarHBondContact O-CA 3.18Å; F128-S132 WeakPolarHBondContact O-CB 3.41Å; F128-S132 PolarHBondContact O-N 2.92Å; S132-S134 VanDerWaalsContact C-N 3.3Å; S132-S134 WeakPolarHBondContact OG-CB 3.48Å; S132-S134 PolarHBondContact OG-N 3.42Å; S132-R355 PolarHBondContact O-NH2 3.5Å
133	D	87.9	Confident	94.4	Very high	43 Å²	43	51.6 Å²	51.6	23%	0.23	25%	0.251	C	S	.	.	S	Bend	trans	-79	-20.5	171.3	-60.9	-25.3	0	0	0	111.4	F135 D136 K137 K357	D133-F135 PolarHBondContact O-N 3.29Å; D133-D136 PolarHBondContact O-N 3.2Å; D133-D136 VanDerWaalsContact O-N 3.13Å; D133-K137 PolarHBondContact O-N 3.24Å; D133-K357 IonicContact OD1-NZ 3.65Å; D133-K357 PolarHBondContact OD1-NZ 3.43Å
134	S	91.3	Very high	94.4	Very high	18 Å²	18	47.4 Å²	47.4	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-32.2	172.3	-61.6	0	0	0	0	111.6	A35 S132 D136 K137 F138	A35-S134 WeakPolarHBondContact O-CB 3.47Å; A35-S134 PolarHBondContact O-OG 3.09Å; S132-S134 VanDerWaalsContact C-N 3.3Å; S132-S134 WeakPolarHBondContact OG-CB 3.48Å; S132-S134 PolarHBondContact OG-N 3.42Å; S134-D136 PolarHBondContact O-N 2.84Å; S134-D136 VanDerWaalsContact O-N 3.16Å; S134-K137 PolarHBondContact O-N 3.39Å; S134-F138 VanDerWaalsContact O-CD2 3.31Å; S134-F138 WeakPolarHBondContact O-CD2 3.27Å; S134-F138 PolarHBondContact O-N 3.11Å
135	F	92.5	Very high	94.4	Very high	7 Å²	7	46 Å²	46	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-57	-33	176.7	-177.8	-99	0	0	0	113.2	F128 I129 D133 F140 Y353	F128-F135 HydrophobicContact CE1-CB 4.39Å; F128-F135 HydrophobicContact CE1-CD2 4.02Å; F128-F135 HydrophobicContact CZ-CB 4.35Å; I129-F135 HydrophobicContact CB-CD2 4.41Å; I129-F135 HydrophobicContact CB-CE2 4.35Å; I129-F135 HydrophobicContact CG1-CD2 4.09Å; I129-F135 HydrophobicContact CG1-CE2 3.9Å; I129-F135 HydrophobicContact CG2-CD2 4.43Å; I129-F135 HydrophobicContact CG2-CE1 4.27Å; I129-F135 HydrophobicContact CG2-CE2 4.04Å; I129-F135 HydrophobicContact CG2-CZ 3.95Å; D133-F135 PolarHBondContact O-N 3.29Å; F135-F140 HydrophobicContact CD2-CD1 4.23Å; F135-F140 HydrophobicContact CE2-CB 4.27Å; F135-F140 AromaticContact CE2-CD1 3.78Å; F135-F140 HydrophobicContact CE2-CD1 3.78Å; F135-F140 HydrophobicContact CE2-CG 4.3Å; F135-Y353 HydrophobicContact CE1-CD1 4.2Å; F135-Y353 AromaticContact CE1-CD2 3.52Å; F135-Y353 HydrophobicContact CE1-CD2 3.52Å; F135-Y353 HydrophobicContact CE1-CE1 4.41Å; F135-Y353 AromaticContact CE1-CE2 3.75Å; F135-Y353 HydrophobicContact CE1-CE2 3.75Å; F135-Y353 AromaticContact CE1-CG 3.75Å; F135-Y353 HydrophobicContact CE1-CG 3.75Å; F135-Y353 AromaticContact CZ-CD1 3.91Å; F135-Y353 HydrophobicContact CZ-CD1 3.91Å; F135-Y353 AromaticContact CZ-CD2 3.92Å; F135-Y353 HydrophobicContact CZ-CD2 3.92Å; F135-Y353 AromaticContact CZ-CE1 3.83Å; F135-Y353 HydrophobicContact CZ-CE1 3.83Å; F135-Y353 AromaticContact CZ-CE2 3.83Å; F135-Y353 HydrophobicContact CZ-CE2 3.83Å; F135-Y353 AromaticContact CZ-CG 3.95Å; F135-Y353 HydrophobicContact CZ-CG 3.95Å; F135-Y353 AromaticContact CZ-CZ 3.78Å
136	D	91.6	Very high	94.3	Very high	9 Å²	9	47 Å²	47	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-84.9	-15	176.4	-71.3	-51.7	0	0	0	113.9	D133 S134 R252 R256 N332 L334 R355	D133-D136 PolarHBondContact O-N 3.2Å; D133-D136 VanDerWaalsContact O-N 3.13Å; S134-D136 PolarHBondContact O-N 2.84Å; S134-D136 VanDerWaalsContact O-N 3.16Å; D136-R252 IonicContact OD1-CZ 3.09Å; D136-R252 IonicContact OD1-NH1 2.71Å; D136-R252 PolarHBondContact OD1-NH1 3Å; D136-R252 IonicContact OD1-NH2 3.67Å; D136-R252 PolarHBondContact OD1-NH2 3.31Å; D136-R256 WeakPolarHBondContact O-CD 3.37Å; D136-N332 PolarHBondContact OD2-ND2 3.07Å; D136-L334 HydrophobicContact CB-CB 4.28Å; D136-L334 HydrophobicContact CB-CD2 3.98Å; D136-L334 WeakPolarHBondContact O-CD2 3.49Å; D136-R355 IonicContact OD1-NH1 2.98Å; D136-R355 IonicContact OD2-CZ 3.03Å; D136-R355 IonicContact OD2-NH1 3.75Å; D136-R355 PolarHBondContact OD2-NH1 3.38Å
137	K	91.4	Very high	94.4	Very high	140 Å²	140	44.1 Å²	44.1	61%	0.609	23%	0.229	S	C	*	.	H	α-helix	trans	-83.9	-32.8	176.4	-63	176	-174	173.1	0	111.4	D133 S134	D133-K137 PolarHBondContact O-N 3.24Å; S134-K137 PolarHBondContact O-N 3.39Å
138	F	93.7	Very high	94.3	Very high	49 Å²	49	42.2 Å²	42.2	22%	0.215	22%	0.218	C	C	.	.	S	Bend	trans	-105.2	157	-172.3	-71.5	-93.2	0	0	0	113.9	Q31 A35 L100 S134 R256	Q31-F138 HydrophobicContact CB-CE1 4.27Å; Q31-F138 HydrophobicContact CB-CZ 4.22Å; A35-F138 HydrophobicContact CB-CD2 4.05Å; A35-F138 HydrophobicContact CB-CE2 3.43Å; A35-F138 VanDerWaalsContact CB-CE2 3.43Å; A35-F138 HydrophobicContact CB-CZ 3.78Å; L100-F138 HydrophobicContact CB-CB 4.45Å; L100-F138 HydrophobicContact CB-CD1 4.1Å; L100-F138 HydrophobicContact CB-CG 4.36Å; L100-F138 HydrophobicContact CD1-CG 4.41Å; L100-F138 HydrophobicContact CD2-CB 3.54Å; L100-F138 HydrophobicContact CD2-CD2 4.46Å; L100-F138 HydrophobicContact CD2-CG 3.95Å; L100-F138 HydrophobicContact CG-CB 4.47Å; L100-F138 HydrophobicContact CG-CG 4.48Å; S134-F138 VanDerWaalsContact O-CD2 3.31Å; S134-F138 WeakPolarHBondContact O-CD2 3.27Å; S134-F138 PolarHBondContact O-N 3.11Å; F138-R256 VanDerWaalsContact C-NH1 3.26Å; F138-R256 PolarHBondContact O-NH1 2.95Å
139	E	93.4	Very high	94.3	Very high	38 Å²	38	42.4 Å²	42.4	18%	0.178	22%	0.219	C	C	.	.			trans	-80.9	142.3	156.7	-81	-160.3	149.1	0	0	109.5	R253 R256	E139-R253 VanDerWaalsContact CD-NH2 3.26Å; E139-R253 IonicContact OE1-CZ 3.62Å; E139-R253 VanDerWaalsContact OE1-CZ 3.26Å; E139-R253 IonicContact OE1-NE 3.26Å; E139-R253 PolarHBondContact OE1-NE 3.07Å; E139-R253 IonicContact OE1-NH2 3.79Å; E139-R253 PolarHBondContact OE1-NH2 3.15Å; E139-R253 VanDerWaalsContact OE1-NH2 3.09Å; E139-R253 IonicContact OE2-CZ 2.69Å; E139-R253 IonicContact OE2-NE 3.59Å; E139-R253 IonicContact OE2-NH2 3.8Å; E139-R253 PolarHBondContact OE2-NH2 2.73Å; E139-R256 VanDerWaalsContact CG-NH1 3.3Å; E139-R256 IonicContact OE1-NH2 3.66Å; E139-R256 PolarHBondContact OE1-NH2 3.31Å
140	F	96.3	Very high	94.2	Very high	22 Å²	22	41.5 Å²	41.5	10%	0.096	22%	0.215	C	C	.	.			trans	-134.1	126	-169.3	-169.1	-123.7	0	0	0	112.9	T96 L100 L125 F128 I129 F135 E142	T96-F140 HydrophobicContact CG2-CE2 3.83Å; T96-F140 HydrophobicContact CG2-CZ 3.77Å; T96-F140 WeakPolarHBondContact O-CE2 3.23Å; L100-F140 HydrophobicContact CD2-CD2 3.53Å; L100-F140 HydrophobicContact CD2-CE2 4.09Å; L100-F140 HydrophobicContact CD2-CG 4.41Å; L100-F140 HydrophobicContact CG-CD2 4.19Å; L100-F140 HydrophobicContact CG-CE2 4.44Å; L125-F140 HydrophobicContact CD1-CE1 3.85Å; L125-F140 HydrophobicContact CD1-CZ 3.62Å; F128-F140 HydrophobicContact CD1-CZ 4.22Å; F128-F140 HydrophobicContact CE1-CD2 4.29Å; F128-F140 HydrophobicContact CE1-CE1 4.36Å; F128-F140 AromaticContact CE1-CE2 3.97Å; F128-F140 HydrophobicContact CE1-CE2 3.97Å; F128-F140 HydrophobicContact CE1-CZ 4.01Å; I129-F140 HydrophobicContact CD1-CE1 4.3Å; I129-F140 HydrophobicContact CG1-CE1 4.25Å; F135-F140 HydrophobicContact CD2-CD1 4.23Å; F135-F140 HydrophobicContact CE2-CB 4.27Å; F135-F140 AromaticContact CE2-CD1 3.78Å; F135-F140 HydrophobicContact CE2-CD1 3.78Å; F135-F140 HydrophobicContact CE2-CG 4.3Å; F140-E142 HydrophobicContact CD1-CB 4.17Å; F140-E142 HydrophobicContact CE1-CB 3.92Å; F140-E142 HydrophobicContact CE1-CG 4.13Å
141	C	97	Very high	94.3	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.027	19%	0.193	C	C	.	.			trans	-92.5	98.4	162.5	-168.3	0	0	0	0	108.6	G99 L102 G103 G106 N108 P143	G99-C141 WeakPolarHBondContact CA-O 3.49Å; G99-C141 PolarHBondContact O-N 3.07Å; L102-C141 HydrophobicContact CB-CB 3.77Å; L102-C141 HydrophobicContact CD1-CB 4.5Å; G103-C141 WeakPolarHBondContact O-CB 3.49Å; G106-C141 PolarHBondContact O-SG 3.39Å; N108-C141 HydrophobicContact CB-CB 4.38Å; N108-C141 VanDerWaalsContact CB-SG 3.57Å; N108-C141 PolarHBondContact ND2-O 3.22Å; C141-P143 WeakPolarHBondContact O-CD 3.49Å
142	E	96.6	Very high	94.4	Very high	114 Å²	114	35 Å²	35	53%	0.533	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-59.9	123.9	178	-169.9	175.3	157.8	0	0	110.8	L125 I129 F140	L125-E142 HydrophobicContact CD2-CG 3.85Å; I129-E142 HydrophobicContact CD1-CG 4.26Å; F140-E142 HydrophobicContact CD1-CB 4.17Å; F140-E142 HydrophobicContact CE1-CB 3.92Å; F140-E142 HydrophobicContact CE1-CG 4.13Å
143	P	97.8	Very high	94.5	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.039	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-70.8	138	178	25.7	-31.2	0	0	0	111.9	N108 L125 C141 F145	N108-P143 HydrophobicContact CB-CB 4.47Å; N108-P143 CarbonylContact O-C 3.52Å; N108-P143 WeakPolarHBondContact O-CA 3.36Å; L125-P143 HydrophobicContact CD1-CG 3.82Å; L125-P143 HydrophobicContact CD2-CG 3.76Å; L125-P143 HydrophobicContact CG-CG 4.37Å; C141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-F145 HydrophobicContact CB-CE1 4.06Å; P143-F145 HydrophobicContact CB-CE2 4.01Å; P143-F145 HydrophobicContact CB-CZ 3.64Å; P143-F145 HydrophobicContact CG-CE2 3.8Å; P143-F145 HydrophobicContact CG-CZ 3.63Å
144	A	97.6	Very high	94.6	Very high	33 Å²	33	33 Å²	33	27%	0.273	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118	170.4	0	0	0	0	0	110.2	N108 H109 G110 P236	N108-A144 PolarHBondContact O-N 2.99Å; H109-A144 WeakPolarHBondContact CA-O 3.49Å; G110-A144 PolarHBondContact N-O 3.46Å; A144-P236 HydrophobicContact CB-CG 3.84Å
145	F	98.1	Very high	94.1	Very high	13 Å²	13	38.3 Å²	38.3	6%	0.057	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.3	-177.9	-58.1	-68.1	0	0	0	112.2	G110 V118 A121 K122 L125 P143	G110-F145 CarbonylContact O-C 3.59Å; G110-F145 WeakPolarHBondContact O-CA 3.39Å; V118-F145 HydrophobicContact CG1-CB 3.95Å; A121-F145 HydrophobicContact CB-CD2 4.04Å; A121-F145 HydrophobicContact CB-CE1 4.47Å; A121-F145 HydrophobicContact CB-CE2 3.97Å; A121-F145 HydrophobicContact CB-CG 4.32Å; A121-F145 HydrophobicContact CB-CZ 4.2Å; K122-F145 HydrophobicContact CG-CD2 4.17Å; L125-F145 HydrophobicContact CD2-CE2 4.17Å; P143-F145 HydrophobicContact CB-CE1 4.06Å; P143-F145 HydrophobicContact CB-CE2 4.01Å; P143-F145 HydrophobicContact CB-CZ 3.64Å; P143-F145 HydrophobicContact CG-CE2 3.8Å; P143-F145 HydrophobicContact CG-CZ 3.63Å
146	V	97.2	Very high	93.7	Very high	30 Å²	30	44.8 Å²	44.8	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.6	179.5	-178.5	0	0	0	0	110.1	G110 I111 E112 V233 L235 P236	G110-V146 PolarHBondContact O-N 2.93Å; I111-V146 WeakPolarHBondContact CA-O 3.38Å; E112-V146 PolarHBondContact N-O 2.92Å; V146-V233 HydrophobicContact CG1-CG1 3.74Å; V146-L235 HydrophobicContact CG2-CD2 4.34Å; V146-P236 HydrophobicContact CG2-CG 4.05Å
147	V	97.4	Very high	93.4	Very high	72 Å²	72	45.7 Å²	45.7	44%	0.436	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128	172.1	-176.2	0	0	0	0	109	E112 V118	E112-V147 CarbonylContact O-C 3.58Å; E112-V147 VanDerWaalsContact O-CA 3.29Å; E112-V147 WeakPolarHBondContact O-CA 3.48Å; V118-V147 HydrophobicContact CB-CG2 3.86Å; V118-V147 HydrophobicContact CG1-CG2 4.04Å; V118-V147 HydrophobicContact CG2-CG2 3.71Å
148	G	95.4	Very high	93.3	Very high	13 Å²	13	41.6 Å²	41.6	13%	0.134	24%	0.236	C	C	.	.	S	Bend	trans	166.1	170.8	174.4	0	0	0	0	0	115	I111 E112 L113	I111-G148 VanDerWaalsContact CG2-O 3.25Å; I111-G148 WeakPolarHBondContact CG2-O 3.4Å; E112-G148 CarbonylContact C-O 3.45Å; E112-G148 PolarHBondContact O-N 3.46Å; L113-G148 WeakPolarHBondContact CA-O 3.22Å
149	N	94.9	Very high	93.4	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.08	24%	0.244	C	C	.	.			trans	-83.4	127.8	174.8	-167	-49.4	0	0	0	110.6	L113 L151 Q152 V220	L113-N149 HydrophobicContact CD1-CB 4.2Å; N149-L151 PolarHBondContact O-N 3.45Å; N149-L151 VanDerWaalsContact O-N 3.09Å; N149-L151 WeakPolarHBondContact OD1-CB 3.48Å; N149-L151 PolarHBondContact OD1-N 3.42Å; N149-Q152 HydrophobicContact CB-CB 4.41Å; N149-Q152 HydrophobicContact CB-CG 4.3Å; N149-Q152 PolarHBondContact O-N 2.94Å; N149-V220 PolarHBondContact ND2-O 3.25Å
150	C	94.2	Very high	93.6	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.047	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.2	179.7	-66.7	0	0	0	0	114.1	L87 G88 Y176 L219	L87-C150 HydrophobicContact CB-CB 4.12Å; L87-C150 HydrophobicContact CD2-CB 4.01Å; G88-C150 PolarHBondContact N-SG 2.89Å; C150-Y176 WeakPolarHBondContact O-CE1 3.34Å; C150-L219 HydrophobicContact CB-CD2 4.29Å
151	L	93.7	Very high	93.8	Very high	20 Å²	20	41.9 Å²	41.9	11%	0.105	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	3.8	175.9	-61	177.1	0	0	0	113.4	N149 H173 Y176 M177 L219 P222	N149-L151 PolarHBondContact O-N 3.45Å; N149-L151 VanDerWaalsContact O-N 3.09Å; N149-L151 WeakPolarHBondContact OD1-CB 3.48Å; N149-L151 PolarHBondContact OD1-N 3.42Å; L151-H173 HydrophobicContact CD2-CB 4.04Å; L151-Y176 HydrophobicContact CD2-CD1 4.01Å; L151-Y176 HydrophobicContact CD2-CE1 4.27Å; L151-Y176 PolarHBondContact O-OH 3.18Å; L151-M177 HydrophobicContact CD2-CE 3.51Å; L151-L219 HydrophobicContact CD2-CD1 4.22Å; L151-P222 HydrophobicContact CB-CG 4.28Å
152	Q	93	Very high	93.8	Very high	59 Å²	59	42.9 Å²	42.9	28%	0.276	24%	0.242	S	C	.	.			trans	-127.1	27.7	-177.2	-62.9	-177.7	-66.5	0	0	112.7	N149 A154 P222 S232 V233	N149-Q152 HydrophobicContact CB-CB 4.41Å; N149-Q152 HydrophobicContact CB-CG 4.3Å; N149-Q152 PolarHBondContact O-N 2.94Å; Q152-A154 PolarHBondContact O-N 3.18Å; Q152-P222 HydrophobicContact CG-CB 4.23Å; Q152-P222 HydrophobicContact CG-CG 3.65Å; Q152-S232 CarbonylContact O-C 3.56Å; Q152-S232 WeakPolarHBondContact O-CA 3.22Å; Q152-V233 HydrophobicContact CB-CG2 4.48Å; Q152-V233 PolarHBondContact O-N 3.07Å
153	I	93.2	Very high	93.9	Very high	13 Å²	13	37.5 Å²	37.5	7%	0.067	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-62.2	135.9	175.2	-55.1	173.3	0	0	0	109.6	L85 L87 I111 Y176 L180 L235	L85-I153 HydrophobicContact CD2-CD1 4.21Å; L87-I153 HydrophobicContact CD2-CD1 3.76Å; I111-I153 HydrophobicContact CD1-CD1 3.49Å; I111-I153 VanDerWaalsContact CD1-CD1 3.49Å; I111-I153 HydrophobicContact CD1-CG1 3.53Å; I153-Y176 WeakPolarHBondContact CB-OH 3.41Å; I153-Y176 PolarHBondContact N-OH 3.16Å; I153-L180 HydrophobicContact CD1-CD1 3.73Å; I153-L180 HydrophobicContact CD1-CD2 4.43Å; I153-L235 HydrophobicContact CG2-CD1 4.01Å; I153-L235 HydrophobicContact CG2-CG 4.47Å
154	A	89.5	Confident	94	Very high	11 Å²	11	37.3 Å²	37.3	9%	0.091	22%	0.216	C	C	.	.			trans	-56.3	137.7	-179.9	0	0	0	0	0	112.1	Q152 D156 S157 V233	Q152-A154 PolarHBondContact O-N 3.18Å; A154-D156 VanDerWaalsContact CB-OD1 3.25Å; A154-D156 WeakPolarHBondContact CB-OD1 3.47Å; A154-D156 PolarHBondContact O-N 2.89Å; A154-S157 WeakPolarHBondContact O-CB 3.42Å; A154-S157 PolarHBondContact O-N 2.89Å; A154-V233 PolarHBondContact N-O 2.81Å
155	S	81.9	Confident	94	Very high	130 Å²	130	35.8 Å²	35.8	91%	0.909	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.7	-174.1	50.4	0	0	0	0	114.2	S157	S155-S157 VanDerWaalsContact C-N 3.32Å
156	D	83.8	Confident	93.9	Very high	143 Å²	143	35.9 Å²	35.9	77%	0.765	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	2.9	176	63.7	-21.2	0	0	0	112.9	A154	A154-D156 VanDerWaalsContact CB-OD1 3.25Å; A154-D156 WeakPolarHBondContact CB-OD1 3.47Å; A154-D156 PolarHBondContact O-N 2.89Å
157	S	85.8	Confident	93.8	Very high	27 Å²	27	35.2 Å²	35.2	19%	0.189	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-59.4	142.8	172.5	-178.9	0	0	0	0	111.1	A154 S155 L235	A154-S157 WeakPolarHBondContact O-CB 3.42Å; A154-S157 PolarHBondContact O-N 2.89Å; S155-S157 VanDerWaalsContact C-N 3.32Å; S157-L235 WeakPolarHBondContact OG-CD1 3.39Å
158	H	89.4	Confident	93.6	Very high	55 Å²	55	32.5 Å²	32.5	26%	0.255	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-67.7	153.8	174.5	58.3	84.5	0	0	0	111.5	H109 Y160 C238	H109-H158 AromaticContact CE1-CE1 3.87Å; H109-H158 AromaticContact CE1-NE2 3.44Å; H109-H158 PolarHBondContact CE1-NE2 2.72Å; H109-H158 AromaticContact ND1-CE1 3.85Å; H109-H158 AromaticContact ND1-NE2 3.67Å; H158-Y160 AromaticContact CE1-CE1 3.43Å; H158-Y160 VanDerWaalsContact CE1-CE1 3.43Å; H158-Y160 WeakPolarHBondContact CE1-CE1 3.32Å; H158-Y160 AromaticContact CE1-CE2 3.67Å; H158-Y160 AromaticContact CE1-CZ 3.1Å; H158-Y160 PolarHBondContact CE1-OH 3.12Å; H158-Y160 AromaticContact ND1-CE1 3.93Å; H158-Y160 AromaticContact ND1-CE2 3.63Å; H158-Y160 AromaticContact ND1-CZ 3.55Å; H158-Y160 AromaticContact NE2-CZ 3.99Å; H158-Y160 WeakPolarHBondContact O-CD2 3.49Å; H158-Y160 VanDerWaalsContact O-CE2 3.28Å; H158-Y160 WeakPolarHBondContact O-CE2 3.43Å; H158-C238 VanDerWaalsContact CD2-SG 3.51Å; H158-C238 PolarHBondContact NE2-SG 2.93Å
159	Q	95.7	Very high	93.7	Very high	83 Å²	83	32.2 Å²	32.2	39%	0.388	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-78.3	160.5	170.9	-70.7	176.6	-36.9	0	0	111.3	I179 L180 K182 R200	Q159-I179 PolarHBondContact NE2-O 3.08Å; Q159-L180 CarbonylContact C-O 3.58Å; Q159-L180 WeakPolarHBondContact CA-O 3.44Å; Q159-L180 WeakPolarHBondContact CB-O 3.37Å; Q159-K182 HydrophobicContact CB-CB 4.47Å; Q159-K182 HydrophobicContact CB-CG 3.52Å; Q159-K182 WeakPolarHBondContact O-CE 3.4Å; Q159-R200 VanDerWaalsContact NE2-NH1 3.19Å
160	Y	97.9	Very high	93.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.7	-175.8	-70.7	-95.1	0	0	0	113	S83 F84 L85 I107 H109 H158 L180 K182 L235	S83-Y160 WeakPolarHBondContact OG-CA 3.44Å; F84-Y160 VanDerWaalsContact C-CD1 3.43Å; F84-Y160 WeakPolarHBondContact O-CE1 3.37Å; L85-Y160 HydrophobicContact CB-CD1 3.68Å; L85-Y160 HydrophobicContact CB-CD2 3.83Å; L85-Y160 HydrophobicContact CB-CE1 3.76Å; L85-Y160 HydrophobicContact CB-CE2 3.95Å; L85-Y160 HydrophobicContact CB-CG 3.68Å; L85-Y160 HydrophobicContact CD1-CE2 4.29Å; 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 4.22Å; I107-Y160 HydrophobicContact CG2-CE1 4.26Å; H109-Y160 HydrophobicContact CB-CE1 4.33Å; H109-Y160 AromaticContact ND1-CZ 3.84Å; H109-Y160 PolarHBondContact ND1-OH 3.41Å; H158-Y160 AromaticContact CE1-CE1 3.43Å; H158-Y160 VanDerWaalsContact CE1-CE1 3.43Å; H158-Y160 WeakPolarHBondContact CE1-CE1 3.32Å; H158-Y160 AromaticContact CE1-CE2 3.67Å; H158-Y160 AromaticContact CE1-CZ 3.1Å; H158-Y160 PolarHBondContact CE1-OH 3.12Å; H158-Y160 AromaticContact ND1-CE1 3.93Å; H158-Y160 AromaticContact ND1-CE2 3.63Å; H158-Y160 AromaticContact ND1-CZ 3.55Å; H158-Y160 AromaticContact NE2-CZ 3.99Å; H158-Y160 WeakPolarHBondContact O-CD2 3.49Å; H158-Y160 VanDerWaalsContact O-CE2 3.28Å; H158-Y160 WeakPolarHBondContact O-CE2 3.43Å; Y160-L180 PolarHBondContact N-O 3.25Å; Y160-K182 PolarHBondContact O-N 2.85Å; Y160-L235 HydrophobicContact CE2-CD1 4.09Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.5Å
161	D	98.7	Very high	93.4	Very high	31 Å²	31	41.2 Å²	41.2	17%	0.166	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-34.9	172.5	-59.9	-72	0	0	0	110.6	L82 S83 K182 G185 I186	L82-D161 HydrophobicContact CB-CB 4.05Å; L82-D161 HydrophobicContact CD1-CB 4.49Å; L82-D161 HydrophobicContact CD2-CB 3.96Å; L82-D161 HydrophobicContact CG-CB 4.39Å; S83-D161 WeakPolarHBondContact CB-OD2 3.41Å; S83-D161 PolarHBondContact N-OD2 3.19Å; S83-D161 WeakPolarHBondContact O-CB 3.45Å; S83-D161 PolarHBondContact O-N 3.33Å; S83-D161 VanDerWaalsContact O-N 3.13Å; S83-D161 PolarHBondContact OG-N 3.22Å; S83-D161 PolarHBondContact OG-OD2 3.19Å; D161-K182 WeakPolarHBondContact OD1-CD 3.2Å; D161-K182 IonicContact OD1-NZ 3.46Å; D161-K182 PolarHBondContact OD1-NZ 3.14Å; D161-K182 IonicContact OD2-NZ 2.9Å; D161-K182 PolarHBondContact OD2-NZ 3.16Å; D161-G185 CarbonylContact O-C 3.59Å; D161-G185 WeakPolarHBondContact O-CA 3.38Å; D161-I186 PolarHBondContact O-N 2.86Å
162	R	98.8	Very high	93.4	Very high	26 Å²	26	45.3 Å²	45.3	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.7	-174.3	-60.1	-60.7	-176.9	-90.2	-1.4	110.4	L76 K77 L78 L82 S83 F84 L85 I186	L76-R162 HydrophobicContact CD2-CB 4.23Å; L76-R162 WeakPolarHBondContact O-CD 3.3Å; L76-R162 PolarHBondContact O-NE 2.98Å; K77-R162 PolarHBondContact O-NH2 2.97Å; L78-R162 HydrophobicContact CD2-CB 4.11Å; L78-R162 HydrophobicContact CD2-CG 3.97Å; L82-R162 HydrophobicContact CD1-CG 4.04Å; S83-R162 PolarHBondContact O-N 2.72Å; F84-R162 CarbonylContact C-O 3.47Å; F84-R162 VanDerWaalsContact CA-O 3.25Å; F84-R162 WeakPolarHBondContact CA-O 3.41Å; F84-R162 HydrophobicContact CB-CB 4.48Å; F84-R162 HydrophobicContact CD2-CB 3.83Å; L85-R162 PolarHBondContact N-O 3.32Å; R162-I186 CarbonylContact C-O 3.51Å; R162-I186 VanDerWaalsContact CA-O 3.31Å; R162-I186 WeakPolarHBondContact CA-O 3.37Å
163	I	98.8	Very high	93.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.6	178	-54.1	179.6	0	0	0	109	L76 L85 L87 L180 L181 I186 L187 V188	L76-I163 WeakPolarHBondContact CD2-O 3.4Å; L85-I163 HydrophobicContact CB-CG1 4.19Å; L85-I163 HydrophobicContact CB-CG2 4.35Å; L85-I163 HydrophobicContact CD2-CG2 4.5Å; L85-I163 WeakPolarHBondContact O-CA 3.44Å; L87-I163 HydrophobicContact CD1-CG2 4Å; L87-I163 HydrophobicContact CG-CG2 4.28Å; I163-L180 HydrophobicContact CD1-CB 3.56Å; I163-L181 HydrophobicContact CB-CD1 4.35Å; I163-L181 HydrophobicContact CD1-CB 4.11Å; I163-L181 HydrophobicContact CD1-CD1 3.79Å; I163-L181 HydrophobicContact CG1-CD1 3.72Å; I163-I186 PolarHBondContact N-O 3.26Å; I163-L187 HydrophobicContact CB-CB 4.49Å; 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 3.25Å; I163-V188 PolarHBondContact O-N 3.25Å
164	Y	98.7	Very high	93.5	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.8	166.9	172.3	-119.9	0	0	0	109.9	Y69 V72 L85 N86 L87 L94 V188	Y69-Y164 HydrophobicContact CE1-CE1 4.4Å; V72-Y164 HydrophobicContact CB-CD2 4.33Å; V72-Y164 HydrophobicContact CB-CE2 4.26Å; V72-Y164 HydrophobicContact CG1-CD1 4.27Å; V72-Y164 HydrophobicContact CG1-CD2 3.44Å; V72-Y164 VanDerWaalsContact CG1-CD2 3.44Å; V72-Y164 HydrophobicContact CG1-CE2 3.81Å; V72-Y164 HydrophobicContact CG1-CG 3.7Å; V72-Y164 HydrophobicContact CG2-CD2 3.84Å; V72-Y164 HydrophobicContact CG2-CE2 3.38Å; L85-Y164 PolarHBondContact O-N 2.99Å; N86-Y164 WeakPolarHBondContact OD1-CD1 3.25Å; L87-Y164 PolarHBondContact N-O 3.42Å; L94-Y164 HydrophobicContact CD2-CD1 3.23Å; L94-Y164 HydrophobicContact CD2-CE1 3.53Å; L94-Y164 HydrophobicContact CD2-CG 4.07Å; Y164-V188 WeakPolarHBondContact CA-O 3.23Å; Y164-V188 HydrophobicContact CD2-CB 4.36Å; Y164-V188 HydrophobicContact CD2-CG1 4.31Å; Y164-V188 WeakPolarHBondContact CD2-O 2.97Å
165	C	97.9	Very high	93.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117	166.6	-168.7	0	0	0	0	110.5	L87 A167 V169 V188 M189 P190	L87-C165 HydrophobicContact CB-CB 4.16Å; L87-C165 HydrophobicContact CD1-CB 4.3Å; L87-C165 WeakPolarHBondContact O-CA 3.16Å; C165-A167 PolarHBondContact O-N 2.98Å; C165-A167 PolarHBondContact SG-O 3.46Å; C165-V169 HydrophobicContact CB-CG2 4.11Å; C165-V188 PolarHBondContact N-O 3.25Å; C165-M189 HydrophobicContact CB-CB 3.68Å; C165-P190 WeakPolarHBondContact O-CD 3.47Å
166	G	95.5	Very high	94.4	Very high	16 Å²	16	46.4 Å²	46.4	17%	0.165	24%	0.239	C	C	.	.	S	Bend	trans	-81	11.9	179.7	0	0	0	0	0	115	L87 F216	L87-G166 PolarHBondContact O-N 2.89Å; G166-F216 VanDerWaalsContact O-CD1 3.24Å; G166-F216 WeakPolarHBondContact O-CD1 3.41Å
167	A	94.6	Very high	94.9	Very high	16 Å²	16	39.6 Å²	39.6	13%	0.132	20%	0.202	C	C	.	.	S	Bend	trans	-140.1	156.2	-178.6	0	0	0	0	0	110.8	C165 V169 P190 A217 L219	C165-A167 PolarHBondContact O-N 2.98Å; C165-A167 PolarHBondContact SG-O 3.46Å; A167-V169 PolarHBondContact O-N 3.24Å; A167-P190 WeakPolarHBondContact O-CD 3.2Å; A167-A217 WeakPolarHBondContact CA-O 3.38Å; A167-L219 HydrophobicContact CB-CD2 3.68Å; A167-L219 HydrophobicContact CB-CG 3.85Å
168	G	95.1	Very high	95.4	Very high	15 Å²	15	39.4 Å²	39.4	16%	0.155	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-65.6	122	-179.6	0	0	0	0	0	111.8	A217 P218 L219	G168-A217 PolarHBondContact N-O 3.14Å; G168-P218 WeakPolarHBondContact O-CA 3.39Å; G168-L219 PolarHBondContact O-N 3.38Å
169	V	95.6	Very high	95.6	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.036	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-95.2	127.3	-179.8	-172.6	0	0	0	0	109.5	C165 A167 H173 M177 M189 P190 L219	C165-V169 HydrophobicContact CB-CG2 4.11Å; A167-V169 PolarHBondContact O-N 3.24Å; V169-H173 HydrophobicContact CG1-CB 4Å; V169-M177 HydrophobicContact CG1-CE 4.35Å; V169-M177 HydrophobicContact CG1-CG 4.09Å; V169-M177 HydrophobicContact CG2-CE 4.42Å; V169-M189 HydrophobicContact CB-SD 4.07Å; V169-M189 HydrophobicContact CG1-CE 4.32Å; V169-M189 HydrophobicContact CG1-SD 4.1Å; V169-M189 HydrophobicContact CG2-CB 4Å; V169-M189 HydrophobicContact CG2-CG 4.19Å; V169-M189 HydrophobicContact CG2-SD 3.75Å; V169-P190 PolarHBondContact N-O 3.42Å; V169-L219 HydrophobicContact CB-CD1 4.46Å; V169-L219 HydrophobicContact CG1-CD1 4.48Å; V169-L219 HydrophobicContact CG2-CD1 3.86Å
170	Q	93.3	Very high	95.6	Very high	86 Å²	86	38.3 Å²	38.3	40%	0.402	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-75.4	148.3	172.9	-65.7	176.4	-15.8	0	0	110.2	D172 H173 E174	Q170-D172 WeakPolarHBondContact CB-OD1 3.48Å; Q170-D172 PolarHBondContact O-N 3.18Å; Q170-H173 PolarHBondContact O-N 3.41Å; Q170-E174 PolarHBondContact O-N 2.84Å
171	K	90.9	Very high	95.6	Very high	125 Å²	125	38.3 Å²	38.3	54%	0.543	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-59.5	-32.5	-172.7	-164.9	178.4	-155.4	138.5	0	114	H173 E174 E192	K171-H173 PolarHBondContact O-N 3.17Å; K171-E174 WeakPolarHBondContact O-CB 3.33Å; K171-E174 PolarHBondContact O-N 3.42Å; K171-E192 WeakPolarHBondContact CD-OE1 3.23Å; K171-E192 WeakPolarHBondContact CE-OE1 3.44Å; K171-E192 IonicContact NZ-OE1 2.72Å; K171-E192 PolarHBondContact NZ-OE1 3.05Å; K171-E192 IonicContact NZ-OE2 3.82Å
172	D	93.1	Very high	95.5	Very high	107 Å²	107	40.1 Å²	40.1	57%	0.572	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-63	-28.3	174.6	60.1	-20.3	0	0	0	113.3	Q170	Q170-D172 WeakPolarHBondContact CB-OD1 3.48Å; Q170-D172 PolarHBondContact O-N 3.18Å
173	H	94.3	Very high	95.5	Very high	34 Å²	34	42.2 Å²	42.2	16%	0.157	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-92.1	-3.8	178.4	-62.7	96.6	0	0	0	113.8	L151 V169 Q170 K171 N175 Y176 M177 Q221	L151-H173 HydrophobicContact CD2-CB 4.04Å; V169-H173 HydrophobicContact CG1-CB 4Å; Q170-H173 PolarHBondContact O-N 3.41Å; K171-H173 PolarHBondContact O-N 3.17Å; H173-N175 VanDerWaalsContact C-N 3.32Å; H173-N175 PolarHBondContact O-N 3.06Å; H173-Y176 WeakPolarHBondContact O-CB 3.33Å; H173-Y176 PolarHBondContact O-N 3.33Å; H173-Y176 VanDerWaalsContact O-N 3.13Å; H173-M177 PolarHBondContact O-N 3.03Å; H173-M177 VanDerWaalsContact O-N 3.12Å; H173-Q221 PolarHBondContact CE1-NE2 3.23Å; H173-Q221 PolarHBondContact CE1-OE1 3.37Å; H173-Q221 PolarHBondContact ND1-NE2 2.99Å; H173-Q221 PolarHBondContact NE2-OE1 2.95Å
174	E	94.5	Very high	95.5	Very high	36 Å²	36	44.5 Å²	44.5	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-45.8	-179.1	-175.9	-174.9	160.5	0	0	111.9	Q170 K171 Y176 M177 K178 M189 I191	Q170-E174 PolarHBondContact O-N 2.84Å; K171-E174 WeakPolarHBondContact O-CB 3.33Å; K171-E174 PolarHBondContact O-N 3.42Å; E174-Y176 VanDerWaalsContact C-N 3.31Å; E174-Y176 PolarHBondContact O-N 3.21Å; E174-M177 PolarHBondContact O-N 3.33Å; E174-K178 HydrophobicContact CG-CD 4.37Å; E174-K178 WeakPolarHBondContact O-CG 3.36Å; E174-K178 PolarHBondContact O-N 3.42Å; E174-K178 WeakPolarHBondContact OE1-CE 3.31Å; E174-K178 IonicContact OE1-NZ 2.61Å; E174-K178 PolarHBondContact OE1-NZ 3.13Å; E174-M189 HydrophobicContact CB-CE 4.26Å; E174-M189 HydrophobicContact CG-CE 3.75Å; E174-I191 HydrophobicContact CB-CD1 4Å; E174-I191 HydrophobicContact CG-CD1 4.02Å
175	N	94.5	Very high	95.4	Very high	109 Å²	109	44.3 Å²	44.3	58%	0.583	24%	0.24	S	C	*	.	H	α-helix	trans	-65.9	-35.2	179.9	-72.1	-32.7	0	0	0	112.2	H173 M177 K178 I179	H173-N175 VanDerWaalsContact C-N 3.32Å; H173-N175 PolarHBondContact O-N 3.06Å; N175-M177 VanDerWaalsContact C-N 3.35Å; N175-K178 PolarHBondContact O-N 3.03Å; N175-I179 WeakPolarHBondContact O-CG2 3.43Å; N175-I179 PolarHBondContact O-N 3.47Å; N175-I179 VanDerWaalsContact O-N 3.16Å
176	Y	94.4	Very high	95.5	Very high	57 Å²	57	44.5 Å²	44.5	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-41.7	175.4	177.3	-92.1	0	0	0	111.3	C150 L151 I153 H173 E174 I179 L180	C150-Y176 WeakPolarHBondContact O-CE1 3.34Å; L151-Y176 HydrophobicContact CD2-CD1 4.01Å; L151-Y176 HydrophobicContact CD2-CE1 4.27Å; L151-Y176 PolarHBondContact O-OH 3.18Å; I153-Y176 WeakPolarHBondContact CB-OH 3.41Å; I153-Y176 PolarHBondContact N-OH 3.16Å; H173-Y176 WeakPolarHBondContact O-CB 3.33Å; H173-Y176 PolarHBondContact O-N 3.33Å; H173-Y176 VanDerWaalsContact O-N 3.13Å; E174-Y176 VanDerWaalsContact C-N 3.31Å; E174-Y176 PolarHBondContact O-N 3.21Å; Y176-I179 HydrophobicContact CD2-CD1 4.43Å; Y176-I179 WeakPolarHBondContact O-CG1 3.48Å; Y176-L180 HydrophobicContact CE1-CD1 4.43Å
177	M	95.3	Very high	95.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-38.6	176.1	-59.5	-52.8	-177.1	0	0	112.2	L87 L151 V169 H173 E174 N175 I179 L180 L187 M189 L219	L87-M177 HydrophobicContact CD1-CE 4.18Å; L87-M177 HydrophobicContact CD1-SD 3.53Å; L87-M177 VanDerWaalsContact CD1-SD 3.53Å; L151-M177 HydrophobicContact CD2-CE 3.51Å; V169-M177 HydrophobicContact CG1-CE 4.35Å; V169-M177 HydrophobicContact CG1-CG 4.09Å; V169-M177 HydrophobicContact CG2-CE 4.42Å; H173-M177 PolarHBondContact O-N 3.03Å; H173-M177 VanDerWaalsContact O-N 3.12Å; E174-M177 PolarHBondContact O-N 3.33Å; N175-M177 VanDerWaalsContact C-N 3.35Å; M177-I179 PolarHBondContact O-N 2.84Å; M177-L180 WeakPolarHBondContact O-CB 3.12Å; M177-L180 PolarHBondContact O-N 2.83Å; M177-L187 HydrophobicContact CB-CD2 3.84Å; M177-M189 HydrophobicContact CB-CE 4.48Å; M177-M189 HydrophobicContact CB-SD 3.89Å; M177-M189 HydrophobicContact CG-SD 3.93Å; M177-L219 HydrophobicContact CE-CD1 3.33Å
178	K	95.3	Very high	95.8	Very high	22 Å²	22	43 Å²	43	10%	0.096	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-41.1	179	-81.2	178.6	-179.2	172	0	113	E174 N175 L180 L181 L187 I198 W206	E174-K178 HydrophobicContact CG-CD 4.37Å; E174-K178 WeakPolarHBondContact O-CG 3.36Å; E174-K178 PolarHBondContact O-N 3.42Å; E174-K178 WeakPolarHBondContact OE1-CE 3.31Å; E174-K178 IonicContact OE1-NZ 2.61Å; E174-K178 PolarHBondContact OE1-NZ 3.13Å; N175-K178 PolarHBondContact O-N 3.03Å; K178-L180 PolarHBondContact O-N 3.2Å; K178-L181 VanDerWaalsContact O-CB 3.3Å; K178-L181 WeakPolarHBondContact O-CB 3.43Å; K178-L181 PolarHBondContact O-N 3.32Å; K178-L187 HydrophobicContact CG-CD2 4.4Å; K178-I198 HydrophobicContact CG-CG2 4.5Å; K178-W206 HydrophobicContact CB-CE3 4.45Å; K178-W206 HydrophobicContact CB-CH2 3.49Å; K178-W206 VanDerWaalsContact CB-CH2 3.49Å; K178-W206 HydrophobicContact CB-CZ2 3.8Å; K178-W206 HydrophobicContact CB-CZ3 3.81Å; K178-W206 HydrophobicContact CD-CD2 3.87Å; K178-W206 HydrophobicContact CD-CE3 4.04Å; K178-W206 HydrophobicContact CD-CG 4.37Å; K178-W206 HydrophobicContact CD-CH2 4.37Å; K178-W206 HydrophobicContact CD-CZ2 4.22Å; K178-W206 HydrophobicContact CD-CZ3 4.24Å; K178-W206 HydrophobicContact CG-CD2 4.31Å; K178-W206 HydrophobicContact CG-CE3 3.99Å; K178-W206 HydrophobicContact CG-CH2 3.95Å; K178-W206 HydrophobicContact CG-CZ2 4.27Å; K178-W206 HydrophobicContact CG-CZ3 3.76Å; K178-W206 VanDerWaalsContact O-CH2 3.25Å; K178-W206 WeakPolarHBondContact O-CH2 3.46Å
179	I	94.3	Very high	96	Very high	101 Å²	101	42.3 Å²	42.3	52%	0.518	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-22.6	-176.4	57.5	160.5	0	0	0	113.7	Q159 N175 Y176 M177 L181	Q159-I179 PolarHBondContact NE2-O 3.08Å; N175-I179 WeakPolarHBondContact O-CG2 3.43Å; N175-I179 PolarHBondContact O-N 3.47Å; N175-I179 VanDerWaalsContact O-N 3.16Å; Y176-I179 HydrophobicContact CD2-CD1 4.43Å; Y176-I179 WeakPolarHBondContact O-CG1 3.48Å; M177-I179 PolarHBondContact O-N 2.84Å; I179-L181 PolarHBondContact O-N 3.03Å
180	L	95.9	Very high	96	Very high	14 Å²	14	42.2 Å²	42.2	7%	0.073	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.3	175.3	-58.1	172.9	0	0	0	112.4	L85 I153 Q159 Y160 I163 Y176 M177 K178	L85-L180 HydrophobicContact CD2-CD1 4.26Å; I153-L180 HydrophobicContact CD1-CD1 3.73Å; I153-L180 HydrophobicContact CD1-CD2 4.43Å; Q159-L180 CarbonylContact C-O 3.58Å; Q159-L180 WeakPolarHBondContact CA-O 3.44Å; Q159-L180 WeakPolarHBondContact CB-O 3.37Å; Y160-L180 PolarHBondContact N-O 3.25Å; I163-L180 HydrophobicContact CD1-CB 3.56Å; Y176-L180 HydrophobicContact CE1-CD1 4.43Å; M177-L180 WeakPolarHBondContact O-CB 3.12Å; M177-L180 PolarHBondContact O-N 2.83Å; K178-L180 PolarHBondContact O-N 3.2Å
181	L	97.6	Very high	96.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.7	-173.8	-162.6	68.7	0	0	0	111.8	I163 K178 I179 G185 L187 R200 W206	I163-L181 HydrophobicContact CB-CD1 4.35Å; I163-L181 HydrophobicContact CD1-CB 4.11Å; I163-L181 HydrophobicContact CD1-CD1 3.79Å; I163-L181 HydrophobicContact CG1-CD1 3.72Å; K178-L181 VanDerWaalsContact O-CB 3.3Å; K178-L181 WeakPolarHBondContact O-CB 3.43Å; K178-L181 PolarHBondContact O-N 3.32Å; I179-L181 PolarHBondContact O-N 3.03Å; L181-G185 WeakPolarHBondContact CD2-O 3.39Å; L181-L187 HydrophobicContact CD1-CB 4.28Å; L181-L187 HydrophobicContact CD2-CB 3.77Å; L181-R200 HydrophobicContact CD2-CB 4.07Å; L181-R200 WeakPolarHBondContact O-CD 3.32Å; L181-R200 PolarHBondContact O-NH1 3.26Å; L181-W206 HydrophobicContact CB-CZ3 4.47Å; L181-W206 HydrophobicContact CD2-CZ3 4.04Å
182	K	97.7	Very high	96.1	Very high	70 Å²	70	39 Å²	39	30%	0.304	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	158.8	171.9	-67.5	176.7	-169.3	170.8	0	111.2	S83 Q159 Y160 D161 G184 G185 R200	S83-K182 PolarHBondContact OG-NZ 3.16Å; Q159-K182 HydrophobicContact CB-CB 4.47Å; Q159-K182 HydrophobicContact CB-CG 3.52Å; Q159-K182 WeakPolarHBondContact O-CE 3.4Å; Y160-K182 PolarHBondContact O-N 2.85Å; D161-K182 WeakPolarHBondContact OD1-CD 3.2Å; D161-K182 IonicContact OD1-NZ 3.46Å; D161-K182 PolarHBondContact OD1-NZ 3.14Å; D161-K182 IonicContact OD2-NZ 2.9Å; D161-K182 PolarHBondContact OD2-NZ 3.16Å; K182-G184 PolarHBondContact O-N 3.08Å; K182-G185 WeakPolarHBondContact O-CA 3.26Å; K182-G185 PolarHBondContact O-N 2.88Å; K182-R200 WeakPolarHBondContact O-CB 3.28Å; K182-R200 WeakPolarHBondContact O-CD 3.38Å
183	V	98.1	Very high	96.1	Very high	70 Å²	70	39.3 Å²	39.3	42%	0.424	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	133.8	165.5	-180	0	0	0	0	108.9	G185 R200	V183-G185 PolarHBondContact O-N 2.98Å; V183-R200 HydrophobicContact CG2-CG 4.37Å
184	G	97.9	Very high	96.2	Very high	47 Å²	47	40.6 Å²	40.6	49%	0.485	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.1	-1.5	-169	0	0	0	0	0	114.2	K182 R200	K182-G184 PolarHBondContact O-N 3.08Å; G184-R200 WeakPolarHBondContact CA-O 3.48Å; G184-R200 PolarHBondContact N-O 3.02Å
185	G	98.5	Very high	96.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	162.8	178.5	0	0	0	0	0	113.4	D161 L181 K182 V183 M199 R200	D161-G185 CarbonylContact O-C 3.59Å; D161-G185 WeakPolarHBondContact O-CA 3.38Å; L181-G185 WeakPolarHBondContact CD2-O 3.39Å; K182-G185 WeakPolarHBondContact O-CA 3.26Å; K182-G185 PolarHBondContact O-N 2.88Å; V183-G185 PolarHBondContact O-N 2.98Å; G185-M199 WeakPolarHBondContact O-CA 3.29Å; G185-R200 PolarHBondContact O-N 3.18Å; G185-R200 VanDerWaalsContact O-N 3.07Å
186	I	98.8	Very high	96.5	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.3	177.7	-55.3	174.9	0	0	0	110.2	K77 D161 R162 I163 V188 Q197 I198	K77-I186 HydrophobicContact CB-CD1 4.02Å; K77-I186 HydrophobicContact CD-CD1 3.95Å; K77-I186 HydrophobicContact CG-CD1 4.15Å; D161-I186 PolarHBondContact O-N 2.86Å; R162-I186 CarbonylContact C-O 3.51Å; R162-I186 VanDerWaalsContact CA-O 3.31Å; R162-I186 WeakPolarHBondContact CA-O 3.37Å; I163-I186 PolarHBondContact N-O 3.26Å; I186-V188 HydrophobicContact CG2-CG2 4.21Å; I186-Q197 HydrophobicContact CG2-CG 3.66Å; I186-I198 WeakPolarHBondContact CA-O 3.28Å
187	L	98.7	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.8	172	166.6	64.2	0	0	0	108.7	I163 M177 K178 L181 M189 Q197 I198	I163-L187 HydrophobicContact CB-CB 4.49Å; 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 3.25Å; M177-L187 HydrophobicContact CB-CD2 3.84Å; K178-L187 HydrophobicContact CG-CD2 4.4Å; L181-L187 HydrophobicContact CD1-CB 4.28Å; L181-L187 HydrophobicContact CD2-CB 3.77Å; L187-M189 HydrophobicContact CD1-CB 4.42Å; L187-M189 HydrophobicContact CD1-CG 4.49Å; L187-M189 HydrophobicContact CD1-SD 4.18Å; L187-M189 HydrophobicContact CD2-CE 4.17Å; L187-M189 HydrophobicContact CD2-SD 3.8Å; L187-M189 HydrophobicContact CG-CG 4.37Å; L187-M189 HydrophobicContact CG-SD 4.13Å; L187-Q197 CarbonylContact O-C 3.59Å; L187-Q197 WeakPolarHBondContact O-CA 3.18Å; L187-I198 HydrophobicContact CB-CB 4.32Å; L187-I198 HydrophobicContact CD2-CD1 4.36Å; L187-I198 PolarHBondContact N-O 3.39Å; L187-I198 PolarHBondContact O-N 2.94Å
188	V	98.7	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.4	172.3	180	0	0	0	0	108.2	V72 A75 L76 I163 Y164 C165 I186 L195 T196 Q197 I211	V72-V188 HydrophobicContact CG2-CG1 4.08Å; A75-V188 HydrophobicContact CB-CG2 3.82Å; L76-V188 HydrophobicContact CD2-CB 4.17Å; L76-V188 HydrophobicContact CD2-CG2 3.71Å; L76-V188 HydrophobicContact CG-CB 4.5Å; L76-V188 HydrophobicContact CG-CG2 3.96Å; I163-V188 PolarHBondContact O-N 3.25Å; Y164-V188 WeakPolarHBondContact CA-O 3.23Å; Y164-V188 HydrophobicContact CD2-CB 4.36Å; Y164-V188 HydrophobicContact CD2-CG1 4.31Å; Y164-V188 WeakPolarHBondContact CD2-O 2.97Å; C165-V188 PolarHBondContact N-O 3.25Å; I186-V188 HydrophobicContact CG2-CG2 4.21Å; V188-L195 HydrophobicContact CG1-CD1 3.96Å; V188-L195 HydrophobicContact CG1-CD2 4.4Å; V188-L195 HydrophobicContact CG1-CG 4.06Å; V188-T196 WeakPolarHBondContact CA-O 3.35Å; V188-Q197 HydrophobicContact CG2-CG 4.43Å; V188-I211 HydrophobicContact CG1-CD1 4.18Å
189	M	97.8	Very high	96.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.3	178.5	66.6	-173.1	-171.2	0	0	112.3	C165 V169 E174 M177 L187 I191 T196 I198	C165-M189 HydrophobicContact CB-CB 3.68Å; V169-M189 HydrophobicContact CB-SD 4.07Å; V169-M189 HydrophobicContact CG1-CE 4.32Å; V169-M189 HydrophobicContact CG1-SD 4.1Å; V169-M189 HydrophobicContact CG2-CB 4Å; V169-M189 HydrophobicContact CG2-CG 4.19Å; V169-M189 HydrophobicContact CG2-SD 3.75Å; E174-M189 HydrophobicContact CB-CE 4.26Å; E174-M189 HydrophobicContact CG-CE 3.75Å; M177-M189 HydrophobicContact CB-CE 4.48Å; M177-M189 HydrophobicContact CB-SD 3.89Å; M177-M189 HydrophobicContact CG-SD 3.93Å; L187-M189 HydrophobicContact CD1-CB 4.42Å; L187-M189 HydrophobicContact CD1-CG 4.49Å; L187-M189 HydrophobicContact CD1-SD 4.18Å; L187-M189 HydrophobicContact CD2-CE 4.17Å; L187-M189 HydrophobicContact CD2-SD 3.8Å; L187-M189 HydrophobicContact CG-CG 4.37Å; L187-M189 HydrophobicContact CG-SD 4.13Å; M189-I191 HydrophobicContact CE-CD1 4.31Å; M189-T196 PolarHBondContact N-O 3.16Å; M189-T196 PolarHBondContact O-N 2.84Å; M189-I198 HydrophobicContact CE-CD1 3.82Å
190	P	96.8	Very high	97.1	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125	169.5	-1.1	17.6	0	0	0	109.7	C165 A167 V169 Q194 L195 V214 F216	C165-P190 WeakPolarHBondContact O-CD 3.47Å; A167-P190 WeakPolarHBondContact O-CD 3.2Å; V169-P190 PolarHBondContact N-O 3.42Å; P190-Q194 WeakPolarHBondContact CA-O 3.37Å; P190-L195 HydrophobicContact CG-CD1 4.3Å; P190-V214 HydrophobicContact CB-CG2 3.98Å; P190-F216 HydrophobicContact CB-CB 4.28Å; P190-F216 HydrophobicContact CB-CD2 3.47Å; P190-F216 VanDerWaalsContact CB-CD2 3.47Å; P190-F216 HydrophobicContact CB-CE2 3.91Å; P190-F216 HydrophobicContact CB-CG 4.02Å; P190-F216 HydrophobicContact CG-CB 4.09Å; P190-F216 HydrophobicContact CG-CD1 3.97Å; P190-F216 HydrophobicContact CG-CD2 3.26Å; P190-F216 HydrophobicContact CG-CE1 4.15Å; P190-F216 HydrophobicContact CG-CE2 3.44Å; P190-F216 VanDerWaalsContact CG-CE2 3.44Å; P190-F216 HydrophobicContact CG-CG 3.53Å; P190-F216 HydrophobicContact CG-CZ 3.89Å
191	I	95.1	Very high	97.2	Very high	17 Å²	17	32.8 Å²	32.8	9%	0.087	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.9	173.4	-175.2	164.5	0	0	0	108.2	E174 M189 D193 Q194 T196	E174-I191 HydrophobicContact CB-CD1 4Å; E174-I191 HydrophobicContact CG-CD1 4.02Å; M189-I191 HydrophobicContact CE-CD1 4.31Å; I191-D193 VanDerWaalsContact C-N 3.27Å; I191-D193 PolarHBondContact O-N 3.43Å; I191-Q194 PolarHBondContact N-O 2.69Å; I191-Q194 PolarHBondContact O-N 3.09Å; I191-Q194 VanDerWaalsContact O-O 3.12Å; I191-T196 WeakPolarHBondContact CG2-OG1 3.22Å
192	E	91.4	Very high	97.1	Very high	126 Å²	126	33.4 Å²	33.4	59%	0.589	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	46.5	-178.2	-62.5	177.3	172.9	0	0	112.8	K171 Q194	K171-E192 WeakPolarHBondContact CD-OE1 3.23Å; K171-E192 WeakPolarHBondContact CE-OE1 3.44Å; K171-E192 IonicContact NZ-OE1 2.72Å; K171-E192 PolarHBondContact NZ-OE1 3.05Å; K171-E192 IonicContact NZ-OE2 3.82Å; E192-Q194 PolarHBondContact O-N 2.77Å; E192-Q194 VanDerWaalsContact O-N 3.12Å
193	D	92.4	Very high	96.9	Very high	114 Å²	114	36.5 Å²	36.5	61%	0.61	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	20.7	-178.2	-57.8	-40.1	0	0	0	115	I191 A213 V214	I191-D193 VanDerWaalsContact C-N 3.27Å; I191-D193 PolarHBondContact O-N 3.43Å; D193-A213 WeakPolarHBondContact O-CA 3.47Å; D193-V214 CarbonylContact C-O 3.6Å; D193-V214 WeakPolarHBondContact CA-O 3.36Å; D193-V214 WeakPolarHBondContact CB-O 3.49Å; D193-V214 PolarHBondContact O-N 2.84Å; D193-V214 VanDerWaalsContact O-O 3.1Å
194	Q	95.6	Very high	96.7	Very high	61 Å²	61	40 Å²	40	29%	0.285	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.6	174.8	-62.7	-61.5	-51.8	0	0	111	P190 I191 E192 T196	P190-Q194 WeakPolarHBondContact CA-O 3.37Å; I191-Q194 PolarHBondContact N-O 2.69Å; I191-Q194 PolarHBondContact O-N 3.09Å; I191-Q194 VanDerWaalsContact O-O 3.12Å; E192-Q194 PolarHBondContact O-N 2.77Å; E192-Q194 VanDerWaalsContact O-N 3.12Å; Q194-T196 PolarHBondContact O-N 3.04Å; Q194-T196 PolarHBondContact O-OG1 3.13Å
195	L	97.2	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.3	169.4	-170.3	71.5	0	0	0	107.6	V72 V188 P190 I211 L212 V214 F216	V72-L195 HydrophobicContact CG2-CD1 4.39Å; V72-L195 HydrophobicContact CG2-CD2 3.96Å; V188-L195 HydrophobicContact CG1-CD1 3.96Å; V188-L195 HydrophobicContact CG1-CD2 4.4Å; V188-L195 HydrophobicContact CG1-CG 4.06Å; P190-L195 HydrophobicContact CG-CD1 4.3Å; L195-I211 HydrophobicContact CD2-CD1 4.13Å; L195-I211 HydrophobicContact CG-CD1 4.18Å; L195-I211 WeakPolarHBondContact O-CB 3.31Å; L195-I211 PolarHBondContact O-N 2.93Å; L195-L212 HydrophobicContact CB-CD2 4.34Å; L195-L212 HydrophobicContact CB-CG 4.38Å; L195-L212 HydrophobicContact CD2-CD2 3.8Å; L195-L212 PolarHBondContact N-O 3.09Å; L195-V214 HydrophobicContact CB-CG1 3.73Å; L195-V214 HydrophobicContact CB-CG2 3.96Å; L195-V214 VanDerWaalsContact N-CG2 3.27Å; L195-F216 HydrophobicContact CD1-CE2 4.38Å
196	T	98	Very high	96.6	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.1	-170.4	-56.3	0	0	0	0	110.3	V188 M189 I191 Q194 I198 N210	V188-T196 WeakPolarHBondContact CA-O 3.35Å; M189-T196 PolarHBondContact N-O 3.16Å; M189-T196 PolarHBondContact O-N 2.84Å; I191-T196 WeakPolarHBondContact CG2-OG1 3.22Å; Q194-T196 PolarHBondContact O-N 3.04Å; Q194-T196 PolarHBondContact O-OG1 3.13Å; T196-I198 HydrophobicContact CG2-CG1 4.01Å; T196-N210 PolarHBondContact OG1-OD1 3.11Å
197	Q	98.5	Very high	96.5	Very high	29 Å²	29	50 Å²	50	14%	0.136	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.5	167.3	-175.2	-174	33.4	0	0	109	A75 I186 L187 V188 S208 K209 I211	A75-Q197 PolarHBondContact O-NE2 2.86Å; I186-Q197 HydrophobicContact CG2-CG 3.66Å; L187-Q197 CarbonylContact O-C 3.59Å; L187-Q197 WeakPolarHBondContact O-CA 3.18Å; V188-Q197 HydrophobicContact CG2-CG 4.43Å; Q197-S208 CarbonylContact O-C 3.48Å; Q197-S208 VanDerWaalsContact O-CA 3.29Å; Q197-S208 WeakPolarHBondContact O-CA 3.47Å; Q197-K209 PolarHBondContact N-O 3.28Å; Q197-K209 PolarHBondContact O-N 3.23Å; Q197-I211 HydrophobicContact CB-CD1 4.14Å; Q197-I211 HydrophobicContact CB-CG1 4.28Å
198	I	98.4	Very high	96.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.8	176.8	-57.7	178.2	0	0	0	108	K178 I186 L187 M189 T196 W206 E207	K178-I198 HydrophobicContact CG-CG2 4.5Å; I186-I198 WeakPolarHBondContact CA-O 3.28Å; L187-I198 HydrophobicContact CB-CB 4.32Å; L187-I198 HydrophobicContact CD2-CD1 4.36Å; L187-I198 PolarHBondContact N-O 3.39Å; L187-I198 PolarHBondContact O-N 2.94Å; M189-I198 HydrophobicContact CE-CD1 3.82Å; T196-I198 HydrophobicContact CG2-CG1 4.01Å; I198-W206 HydrophobicContact CG2-CB 4.46Å; I198-W206 HydrophobicContact CG2-CE3 3.75Å; I198-W206 HydrophobicContact CG2-CZ3 4.47Å; I198-E207 CarbonylContact C-O 3.52Å; I198-E207 WeakPolarHBondContact CA-O 3.44Å
199	M	98.4	Very high	96.4	Very high	59 Å²	59	60.1 Å²	60.1	29%	0.291	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.2	175.1	-175.4	169	68.4	0	0	110	G185 T201 W206 E207	G185-M199 WeakPolarHBondContact O-CA 3.29Å; M199-T201 HydrophobicContact CE-CG2 3.8Å; M199-T201 HydrophobicContact CG-CG2 4.46Å; M199-T201 PolarHBondContact O-N 2.87Å; M199-W206 CarbonylContact O-C 3.54Å; M199-W206 WeakPolarHBondContact O-CA 3.41Å; M199-E207 WeakPolarHBondContact CE-OE2 3.46Å; M199-E207 PolarHBondContact N-O 3.33Å; M199-E207 PolarHBondContact O-N 3.44Å
200	R	98.3	Very high	96.3	Very high	19 Å²	19	64.9 Å²	64.9	7%	0.072	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	104.2	173	-168.5	174.6	-172.6	175.2	0.7	109.3	Q159 L181 K182 V183 G184 G185 G202 Q203 W206	Q159-R200 VanDerWaalsContact NE2-NH1 3.19Å; L181-R200 HydrophobicContact CD2-CB 4.07Å; L181-R200 WeakPolarHBondContact O-CD 3.32Å; L181-R200 PolarHBondContact O-NH1 3.26Å; K182-R200 WeakPolarHBondContact O-CB 3.28Å; K182-R200 WeakPolarHBondContact O-CD 3.38Å; V183-R200 HydrophobicContact CG2-CG 4.37Å; G184-R200 WeakPolarHBondContact CA-O 3.48Å; G184-R200 PolarHBondContact N-O 3.02Å; G185-R200 PolarHBondContact O-N 3.18Å; G185-R200 VanDerWaalsContact O-N 3.07Å; R200-G202 WeakPolarHBondContact CG-O 3.27Å; R200-G202 PolarHBondContact NE-O 2.73Å; R200-Q203 PolarHBondContact NE-O 2.82Å; R200-Q203 PolarHBondContact NH2-O 3.03Å; R200-W206 HydrophobicContact CB-CE3 3.7Å; R200-W206 HydrophobicContact CB-CH2 3.91Å; R200-W206 HydrophobicContact CB-CZ3 3.38Å; R200-W206 HydrophobicContact CG-CD2 4.31Å; R200-W206 HydrophobicContact CG-CE3 3.9Å; R200-W206 HydrophobicContact CG-CH2 3.52Å; R200-W206 HydrophobicContact CG-CZ2 3.97Å; R200-W206 HydrophobicContact CG-CZ3 3.53Å
201	T	97.5	Very high	96.3	Very high	61 Å²	61	66.9 Å²	66.9	37%	0.374	34%	0.342	S	S	.	.			trans	-85	-17.7	-177.2	52.2	0	0	0	0	113.6	M199 T205 E207	M199-T201 HydrophobicContact CE-CG2 3.8Å; M199-T201 HydrophobicContact CG-CG2 4.46Å; M199-T201 PolarHBondContact O-N 2.87Å; T201-T205 PolarHBondContact N-O 2.93Å; T201-T205 WeakPolarHBondContact OG1-CB 3.3Å; T201-T205 PolarHBondContact OG1-O 3.3Å; T201-T205 PolarHBondContact OG1-OG1 3.41Å; T201-E207 HydrophobicContact CG2-CB 4.3Å; T201-E207 HydrophobicContact CG2-CG 3.75Å
202	G	95.9	Very high	96.2	Very high	14 Å²	14	68.2 Å²	68.2	14%	0.144	35%	0.349	C	S	.	.	S	Bend	trans	-166.2	-168.4	-178	0	0	0	0	0	111.1	R200 N204 T205	R200-G202 WeakPolarHBondContact CG-O 3.27Å; R200-G202 PolarHBondContact NE-O 2.73Å; G202-N204 VanDerWaalsContact C-N 3.3Å; G202-N204 PolarHBondContact O-N 3.26Å; G202-T205 VanDerWaalsContact CA-OG1 3.24Å; G202-T205 WeakPolarHBondContact CA-OG1 3.38Å; G202-T205 PolarHBondContact N-O 2.95Å; G202-T205 PolarHBondContact N-OG1 3.2Å
203	Q	92.5	Very high	96.3	Very high	135 Å²	135	65.5 Å²	65.5	63%	0.631	35%	0.349	S	S	*	.	S	Bend	trans	-61.4	-40.3	-172.8	-147.9	67.4	-3.3	0	0	112.6	R200	R200-Q203 PolarHBondContact NE-O 2.82Å; R200-Q203 PolarHBondContact NH2-O 3.03Å
204	N	93.4	Very high	96.3	Very high	143 Å²	143	60.6 Å²	60.6	77%	0.765	32%	0.323	S	S	*	.	S	Bend	trans	-129.7	15	-179.9	-63.5	-29.3	0	0	0	112.8	G202	G202-N204 VanDerWaalsContact C-N 3.3Å; G202-N204 PolarHBondContact O-N 3.26Å
205	T	96.8	Very high	96.1	Very high	77 Å²	77	61.9 Å²	61.9	47%	0.472	34%	0.338	S	S	.	.			trans	-113.4	138.9	-176.4	58.1	0	0	0	0	110.8	T201 G202	T201-T205 PolarHBondContact N-O 2.93Å; T201-T205 WeakPolarHBondContact OG1-CB 3.3Å; T201-T205 PolarHBondContact OG1-O 3.3Å; T201-T205 PolarHBondContact OG1-OG1 3.41Å; G202-T205 VanDerWaalsContact CA-OG1 3.24Å; G202-T205 WeakPolarHBondContact CA-OG1 3.38Å; G202-T205 PolarHBondContact N-O 2.95Å; G202-T205 PolarHBondContact N-OG1 3.2Å
206	W	97.7	Very high	95.8	Very high	70 Å²	70	63.2 Å²	63.2	27%	0.265	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.6	-171.4	-52.6	88.8	0	0	0	110	K178 L181 I198 M199 R200	K178-W206 HydrophobicContact CB-CE3 4.45Å; K178-W206 HydrophobicContact CB-CH2 3.49Å; K178-W206 VanDerWaalsContact CB-CH2 3.49Å; K178-W206 HydrophobicContact CB-CZ2 3.8Å; K178-W206 HydrophobicContact CB-CZ3 3.81Å; K178-W206 HydrophobicContact CD-CD2 3.87Å; K178-W206 HydrophobicContact CD-CE3 4.04Å; K178-W206 HydrophobicContact CD-CG 4.37Å; K178-W206 HydrophobicContact CD-CH2 4.37Å; K178-W206 HydrophobicContact CD-CZ2 4.22Å; K178-W206 HydrophobicContact CD-CZ3 4.24Å; K178-W206 HydrophobicContact CG-CD2 4.31Å; K178-W206 HydrophobicContact CG-CE3 3.99Å; K178-W206 HydrophobicContact CG-CH2 3.95Å; K178-W206 HydrophobicContact CG-CZ2 4.27Å; K178-W206 HydrophobicContact CG-CZ3 3.76Å; K178-W206 VanDerWaalsContact O-CH2 3.25Å; K178-W206 WeakPolarHBondContact O-CH2 3.46Å; L181-W206 HydrophobicContact CB-CZ3 4.47Å; L181-W206 HydrophobicContact CD2-CZ3 4.04Å; I198-W206 HydrophobicContact CG2-CB 4.46Å; I198-W206 HydrophobicContact CG2-CE3 3.75Å; I198-W206 HydrophobicContact CG2-CZ3 4.47Å; M199-W206 CarbonylContact O-C 3.54Å; M199-W206 WeakPolarHBondContact O-CA 3.41Å; R200-W206 HydrophobicContact CB-CE3 3.7Å; R200-W206 HydrophobicContact CB-CH2 3.91Å; R200-W206 HydrophobicContact CB-CZ3 3.38Å; R200-W206 HydrophobicContact CG-CD2 4.31Å; R200-W206 HydrophobicContact CG-CE3 3.9Å; R200-W206 HydrophobicContact CG-CH2 3.52Å; R200-W206 HydrophobicContact CG-CZ2 3.97Å; R200-W206 HydrophobicContact CG-CZ3 3.53Å
207	E	97.9	Very high	95.5	Very high	114 Å²	114	66.4 Å²	66.4	53%	0.533	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.1	169.2	-74	177.6	-171.4	0	0	108.7	I198 M199 T201	I198-E207 CarbonylContact C-O 3.52Å; I198-E207 WeakPolarHBondContact CA-O 3.44Å; M199-E207 WeakPolarHBondContact CE-OE2 3.46Å; M199-E207 PolarHBondContact N-O 3.33Å; M199-E207 PolarHBondContact O-N 3.44Å; T201-E207 HydrophobicContact CG2-CB 4.3Å; T201-E207 HydrophobicContact CG2-CG 3.75Å
208	S	97	Very high	95.2	Very high	75 Å²	75	69.1 Å²	69.1	52%	0.524	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139	-179.4	-59.8	0	0	0	0	110.6	Q197	Q197-S208 CarbonylContact O-C 3.48Å; Q197-S208 VanDerWaalsContact O-CA 3.29Å; Q197-S208 WeakPolarHBondContact O-CA 3.47Å
209	K	97.3	Very high	94.8	Very high	137 Å²	137	69.9 Å²	69.9	60%	0.596	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	125.7	176.9	-177.9	-174.5	176	-172.5	0	109.8	Q197	Q197-K209 PolarHBondContact N-O 3.28Å; Q197-K209 PolarHBondContact O-N 3.23Å
210	N	97	Very high	94.5	Very high	101 Å²	101	71 Å²	71	54%	0.54	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.6	171.6	-63.5	-9.5	0	0	0	109.3	T196	T196-N210 PolarHBondContact OG1-OD1 3.11Å
211	I	94.9	Very high	94.1	Very high	45 Å²	45	73.6 Å²	73.6	23%	0.231	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-59.7	-179.4	-50.5	172.1	0	0	0	109.3	E71 A75 V188 L195 Q197	E71-I211 HydrophobicContact CB-CG2 4.19Å; E71-I211 HydrophobicContact CG-CG2 4.35Å; E71-I211 WeakPolarHBondContact OE2-CG2 3.47Å; A75-I211 HydrophobicContact CB-CD1 3.51Å; V188-I211 HydrophobicContact CG1-CD1 4.18Å; L195-I211 HydrophobicContact CD2-CD1 4.13Å; L195-I211 HydrophobicContact CG-CD1 4.18Å; L195-I211 WeakPolarHBondContact O-CB 3.31Å; L195-I211 PolarHBondContact O-N 2.93Å; Q197-I211 HydrophobicContact CB-CD1 4.14Å; Q197-I211 HydrophobicContact CB-CG1 4.28Å
212	L	93.8	Very high	93.4	Very high	46 Å²	46	72.6 Å²	72.6	24%	0.241	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	161.4	177.3	66.8	139.5	0	0	0	112.4	I68 E71 L195 V214	I68-L212 HydrophobicContact CD1-CD1 3.75Å; E71-L212 HydrophobicContact CB-CD2 3.89Å; E71-L212 HydrophobicContact CG-CD2 3.83Å; L195-L212 HydrophobicContact CB-CD2 4.34Å; L195-L212 HydrophobicContact CB-CG 4.38Å; L195-L212 HydrophobicContact CD2-CD2 3.8Å; L195-L212 PolarHBondContact N-O 3.09Å; L212-V214 HydrophobicContact CD1-CG1 3.74Å; L212-V214 HydrophobicContact CG-CG1 3.82Å
213	A	93.4	Very high	92.2	Very high	69 Å²	69	77 Å²	77	57%	0.57	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.6	171.4	0	0	0	0	0	110.9	D193	D193-A213 WeakPolarHBondContact O-CA 3.47Å
214	V	92.9	Very high	90.7	Very high	11 Å²	11	80.6 Å²	80.6	7%	0.067	46%	0.455	C	S	.	.			trans	-144.4	159.6	-171.2	-68	0	0	0	0	112.2	M1 I68 P190 D193 L195 L212 F216	M1-V214 HydrophobicContact CE-CB 3.88Å; M1-V214 HydrophobicContact CE-CG1 4.06Å; M1-V214 WeakPolarHBondContact SD-CA 3.41Å; M1-V214 HydrophobicContact SD-CB 3.22Å; M1-V214 WeakPolarHBondContact SD-CB 3.46Å; M1-V214 HydrophobicContact SD-CG1 3.4Å; M1-V214 WeakPolarHBondContact SD-CG1 3.22Å; I68-V214 HydrophobicContact CD1-CG1 3.99Å; P190-V214 HydrophobicContact CB-CG2 3.98Å; D193-V214 CarbonylContact C-O 3.6Å; D193-V214 WeakPolarHBondContact CA-O 3.36Å; D193-V214 WeakPolarHBondContact CB-O 3.49Å; D193-V214 PolarHBondContact O-N 2.84Å; D193-V214 VanDerWaalsContact O-O 3.1Å; L195-V214 HydrophobicContact CB-CG1 3.73Å; L195-V214 HydrophobicContact CB-CG2 3.96Å; L195-V214 VanDerWaalsContact N-CG2 3.27Å; L212-V214 HydrophobicContact CD1-CG1 3.74Å; L212-V214 HydrophobicContact CG-CG1 3.82Å; V214-F216 HydrophobicContact CB-CD2 3.89Å; V214-F216 HydrophobicContact CB-CE2 3.78Å; V214-F216 HydrophobicContact CG1-CE2 4.15Å; V214-F216 HydrophobicContact CG2-CD2 3.83Å; V214-F216 HydrophobicContact CG2-CE2 3.88Å
215	S	90.9	Very high	88.5	Confident	87 Å²	87	80.1 Å²	80.1	61%	0.608	45%	0.452	S	S	*	.			trans	-129.5	115.9	171	-179.6	0	0	0	0	109.1	M1	M1-S215 WeakPolarHBondContact CE-O 3.49Å; M1-S215 WeakPolarHBondContact CG-O 3.44Å; M1-S215 PolarHBondContact SD-N 2.82Å
216	F	91.5	Very high	85.9	Confident	29 Å²	29	83 Å²	83	13%	0.127	47%	0.465	C	S	.	.			trans	-122.6	151	178.2	-80.2	-97.6	0	0	0	110.2	M1 I68 G166 P190 L195 V214	M1-F216 HydrophobicContact CE-CD1 4.35Å; M1-F216 HydrophobicContact CE-CD2 3.42Å; M1-F216 VanDerWaalsContact CE-CD2 3.42Å; M1-F216 HydrophobicContact CE-CE1 4.01Å; M1-F216 HydrophobicContact CE-CE2 3Å; M1-F216 HydrophobicContact CE-CG 4.1Å; M1-F216 HydrophobicContact CE-CZ 3.35Å; M1-F216 HydrophobicContact SD-CD2 4.45Å; M1-F216 HydrophobicContact SD-CE2 4.21Å; I68-F216 HydrophobicContact CG2-CE2 4.45Å; I68-F216 HydrophobicContact CG2-CZ 3.79Å; G166-F216 VanDerWaalsContact O-CD1 3.24Å; G166-F216 WeakPolarHBondContact O-CD1 3.41Å; P190-F216 HydrophobicContact CB-CB 4.28Å; P190-F216 HydrophobicContact CB-CD2 3.47Å; P190-F216 VanDerWaalsContact CB-CD2 3.47Å; P190-F216 HydrophobicContact CB-CE2 3.91Å; P190-F216 HydrophobicContact CB-CG 4.02Å; P190-F216 HydrophobicContact CG-CB 4.09Å; P190-F216 HydrophobicContact CG-CD1 3.97Å; P190-F216 HydrophobicContact CG-CD2 3.26Å; P190-F216 HydrophobicContact CG-CE1 4.15Å; P190-F216 HydrophobicContact CG-CE2 3.44Å; P190-F216 VanDerWaalsContact CG-CE2 3.44Å; P190-F216 HydrophobicContact CG-CG 3.53Å; P190-F216 HydrophobicContact CG-CZ 3.89Å; L195-F216 HydrophobicContact CD1-CE2 4.38Å; V214-F216 HydrophobicContact CB-CD2 3.89Å; V214-F216 HydrophobicContact CB-CE2 3.78Å; V214-F216 HydrophobicContact CG1-CE2 4.15Å; V214-F216 HydrophobicContact CG2-CD2 3.83Å; V214-F216 HydrophobicContact CG2-CE2 3.88Å
217	A	90.8	Very high	83.4	Confident	72 Å²	72	87.9 Å²	87.9	60%	0.595	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-62.3	137.3	165.1	0	0	0	0	0	109.1	A167 G168	A167-A217 WeakPolarHBondContact CA-O 3.38Å; G168-A217 PolarHBondContact N-O 3.14Å
218	P	91.7	Very high	81.1	Confident	86 Å²	86	85.2 Å²	85.2	56%	0.558	50%	0.499	S	S	*	.	B	Isolated β-bridge	trans	-67.5	152.2	-179.4	29	-35	0	0	0	111.1	G168 V220	G168-P218 WeakPolarHBondContact O-CA 3.39Å; P218-V220 PolarHBondContact O-N 3.43Å
219	L	91.9	Very high	78.9	Confident	18 Å²	18	90.9 Å²	90.9	9%	0.094	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-57.1	135.2	168.4	-82.3	173.6	0	0	0	110.8	C150 L151 A167 G168 V169 M177 Q221	C150-L219 HydrophobicContact CB-CD2 4.29Å; L151-L219 HydrophobicContact CD2-CD1 4.22Å; A167-L219 HydrophobicContact CB-CD2 3.68Å; A167-L219 HydrophobicContact CB-CG 3.85Å; G168-L219 PolarHBondContact O-N 3.38Å; V169-L219 HydrophobicContact CB-CD1 4.46Å; V169-L219 HydrophobicContact CG1-CD1 4.48Å; V169-L219 HydrophobicContact CG2-CD1 3.86Å; M177-L219 HydrophobicContact CE-CD1 3.33Å; L219-Q221 PolarHBondContact O-N 2.79Å
220	V	91.6	Very high	76.9	Confident	81 Å²	81	88.9 Å²	88.9	49%	0.491	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-74	121	177	-179.6	0	0	0	0	109	L113 N149 P218	L113-V220 HydrophobicContact CD2-CB 3.74Å; L113-V220 HydrophobicContact CD2-CG1 4.05Å; L113-V220 HydrophobicContact CD2-CG2 3.64Å; N149-V220 PolarHBondContact ND2-O 3.25Å; P218-V220 PolarHBondContact O-N 3.43Å
221	Q	88.9	Confident	75.5	Confident	75 Å²	75	91.1 Å²	91.1	35%	0.35	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-69.8	138.8	174.5	-66.1	-61.7	-24.3	0	0	110.4	H173 L219 S223	H173-Q221 PolarHBondContact CE1-NE2 3.23Å; H173-Q221 PolarHBondContact CE1-OE1 3.37Å; H173-Q221 PolarHBondContact ND1-NE2 2.99Å; H173-Q221 PolarHBondContact NE2-OE1 2.95Å; L219-Q221 PolarHBondContact O-N 2.79Å; Q221-S223 PolarHBondContact O-N 3.15Å
222	P	83.5	Confident	75.1	Confident	39 Å²	39	92.7 Å²	92.7	25%	0.253	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-58.3	135	171.8	-21.6	32.1	0	0	0	111.2	L151 Q152	L151-P222 HydrophobicContact CB-CG 4.28Å; Q152-P222 HydrophobicContact CG-CB 4.23Å; Q152-P222 HydrophobicContact CG-CG 3.65Å
223	S	71.3	Confident	74.9	Confident	108 Å²	108	91 Å²	91	76%	0.755	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-69.6	142.3	172.1	53.9	0	0	0	0	110.6	Q221	Q221-S223 PolarHBondContact O-N 3.15Å
224	K	59.7	Low	74.8	Confident	209 Å²	209	90.1 Å²	90.1	91%	0.909	53%	0.531	S	S	*	.			trans	-90	11.7	-176.6	-77.9	-171.6	176.7	179.9	0	115.8
225	N	48.5	Very low	74.8	Confident	133 Å²	133	90.8 Å²	90.8	71%	0.711	54%	0.535	S	S	*	.			trans	-121.3	137.3	178.6	-63.4	-3.2	0	0	0	108.8
226	D	42.4	Very low	74.8	Confident	138 Å²	138	88.5 Å²	88.5	74%	0.738	52%	0.518	S	S	*	.	S	Bend	cis	-150.1	139.1	13.3	-107.3	-38.6	0	0	0	109	G228	D226-G228 VanDerWaalsContact C-N 3.29Å; D226-G228 PolarHBondContact O-N 3.16Å
227	N	45.1	Very low	74.6	Confident	172 Å²	172	92.5 Å²	92.5	92%	0.92	55%	0.547	S	S	*	.	S	Bend	trans	47.3	13.1	155.7	-69.8	-28.8	0	0	0	122.5
228	G	49.2	Very low	74.3	Confident	59 Å²	59	92.4 Å²	92.4	61%	0.608	54%	0.541	S	S	*	.	S	Bend	trans	-107.8	151.8	167.2	0	0	0	0	0	111.7	D226	D226-G228 VanDerWaalsContact C-N 3.29Å; D226-G228 PolarHBondContact O-N 3.16Å
229	K	51.3	Low	73.6	Confident	193 Å²	193	92.3 Å²	92.3	84%	0.839	55%	0.547	S	S	*	.			trans	-50.3	139.7	158.6	-80.9	176.5	175.8	178.3	0	107.4	D231	K229-D231 PolarHBondContact O-N 3.29Å
230	P	55.3	Low	73.3	Confident	96 Å²	96	98 Å²	98	62%	0.623	58%	0.583	S	S	*	*			trans	-54.2	121.1	171.3	23	-31	0	0	0	107.2	S232	P230-S232 VanDerWaalsContact C-N 3.27Å; P230-S232 PolarHBondContact O-N 3.36Å
231	D	67.5	Low	73.2	Confident	147 Å²	147	98.2 Å²	98.2	79%	0.786	57%	0.574	S	S	*	*			trans	-62	96.6	175.8	-83.7	-26.8	0	0	0	106.9	K229 V233	K229-D231 PolarHBondContact O-N 3.29Å; D231-V233 PolarHBondContact O-N 2.75Å
232	S	85.1	Confident	73.4	Confident	79 Å²	79	99 Å²	99	55%	0.552	58%	0.581	S	S	*	*			trans	-67.2	125.2	178	56.2	0	0	0	0	108.1	Q152 P230 G234	Q152-S232 CarbonylContact O-C 3.56Å; Q152-S232 WeakPolarHBondContact O-CA 3.22Å; P230-S232 VanDerWaalsContact C-N 3.27Å; P230-S232 PolarHBondContact O-N 3.36Å; S232-G234 PolarHBondContact O-N 3.17Å
233	V	90.6	Very high	73.9	Confident	11 Å²	11	104.1 Å²	104.1	7%	0.067	61%	0.606	C	S	.	*	B	Isolated β-bridge	trans	-69.6	107.8	178.1	-175.9	0	0	0	0	108.3	I111 V146 Q152 A154 D231	I111-V233 HydrophobicContact CD1-CG1 4.31Å; I111-V233 HydrophobicContact CG2-CG1 4.42Å; V146-V233 HydrophobicContact CG1-CG1 3.74Å; Q152-V233 HydrophobicContact CB-CG2 4.48Å; Q152-V233 PolarHBondContact O-N 3.07Å; A154-V233 PolarHBondContact N-O 2.81Å; D231-V233 PolarHBondContact O-N 2.75Å
234	G	91.6	Very high	75	Confident	49 Å²	49	104.3 Å²	104.3	51%	0.505	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-80.2	121.5	173.9	0	0	0	0	0	110.5	S232	S232-G234 PolarHBondContact O-N 3.17Å
235	L	92.2	Very high	76.6	Confident	26 Å²	26	95.2 Å²	95.2	14%	0.136	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-84.2	150.4	173.1	-69.9	174.6	0	0	0	110.6	L85 H109 I111 V146 I153 S157 Y160	L85-L235 HydrophobicContact CD1-CD1 4.01Å; H109-L235 HydrophobicContact CB-CD2 4.32Å; I111-L235 HydrophobicContact CD1-CD1 4.37Å; I111-L235 HydrophobicContact CD1-CD2 3.84Å; I111-L235 HydrophobicContact CD1-CG 4.43Å; I111-L235 HydrophobicContact CG1-CD2 3.71Å; V146-L235 HydrophobicContact CG2-CD2 4.34Å; I153-L235 HydrophobicContact CG2-CD1 4.01Å; I153-L235 HydrophobicContact CG2-CG 4.47Å; S157-L235 WeakPolarHBondContact OG-CD1 3.39Å; Y160-L235 HydrophobicContact CE2-CD1 4.09Å; Y160-L235 WeakPolarHBondContact OH-CD1 3.5Å
236	P	91.4	Very high	78.8	Confident	39 Å²	39	91.7 Å²	91.7	25%	0.253	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-57.2	142.7	179.2	-23.7	35.6	0	0	0	110.9	H109 A144 V146	H109-P236 PolarHBondContact CE1-O 2.68Å; A144-P236 HydrophobicContact CB-CG 3.84Å; V146-P236 HydrophobicContact CG2-CG 4.05Å
237	P	87	Confident	81.4	Confident	113 Å²	113	87.2 Å²	87.2	73%	0.734	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-66.1	146.6	178.5	27.8	-34.1	0	0	0	110.7	A239	P237-A239 VanDerWaalsContact C-N 3.29Å; P237-A239 PolarHBondContact O-N 2.73Å
238	C	83.9	Confident	83.8	Confident	69 Å²	69	80 Å²	80	47%	0.466	48%	0.479	S	S	.	.			trans	-69.1	86.3	169.7	-66.3	0	0	0	0	109.7	I107 H158	I107-C238 HydrophobicContact CD1-CB 4.27Å; I107-C238 WeakPolarHBondContact CD1-SG 3.08Å; H158-C238 VanDerWaalsContact CD2-SG 3.51Å; H158-C238 PolarHBondContact NE2-SG 2.93Å
239	A	78.3	Confident	85.9	Confident	84 Å²	84	77.7 Å²	77.7	69%	0.694	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-81.2	139.2	-178.3	0	0	0	0	0	111.7	P237	P237-A239 VanDerWaalsContact C-N 3.29Å; P237-A239 PolarHBondContact O-N 2.73Å
240	V	84.1	Confident	88	Confident	139 Å²	139	76.2 Å²	76.2	84%	0.842	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-74.6	129.5	168.8	-175.7	0	0	0	0	108.4
241	R	89.6	Confident	90	Very high	84 Å²	84	74.7 Å²	74.7	32%	0.317	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-62.6	142	175.9	-69.5	-179.9	-180	-90.2	-1.5	110.5	P104 D245 L246	P104-R241 PolarHBondContact O-NE 3.16Å; P104-R241 PolarHBondContact O-NH2 3.5Å; R241-D245 VanDerWaalsContact CD-OD2 3.25Å; R241-D245 WeakPolarHBondContact CD-OD2 3.47Å; R241-D245 IonicContact CZ-OD2 2.77Å; R241-D245 IonicContact NE-OD2 2.98Å; R241-D245 IonicContact NH1-OD2 2.67Å; R241-D245 PolarHBondContact NH1-OD2 3.47Å; R241-L246 HydrophobicContact CB-CD2 3.97Å; R241-L246 HydrophobicContact CB-CG 4.04Å
242	N	93.4	Very high	91.3	Very high	92 Å²	92	68.1 Å²	68.1	49%	0.492	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-70.7	160.5	175.2	67.4	55	0	0	0	111	Q244 D245 L246	N242-Q244 PolarHBondContact O-N 3.11Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.41Å; N242-Q244 VanDerWaalsContact OD1-CB 3.23Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.34Å; N242-Q244 PolarHBondContact OD1-N 3.35Å; N242-D245 PolarHBondContact O-N 2.89Å; N242-D245 WeakPolarHBondContact OD1-CB 3.19Å; N242-D245 PolarHBondContact OD1-N 3.1Å; N242-L246 WeakPolarHBondContact O-CG 3.42Å; N242-L246 PolarHBondContact O-N 3.2Å
243	L	94.9	Very high	91.8	Very high	147 Å²	147	68.7 Å²	68.7	77%	0.77	38%	0.382	S	S	*	.	H	α-helix	trans	-59.7	-33.2	-179.4	-178	61.3	0	0	0	112.8	L246 A247	L243-L246 PolarHBondContact O-N 3.43Å; L243-A247 WeakPolarHBondContact O-CB 3.43Å; L243-A247 PolarHBondContact O-N 2.89Å
244	Q	94.3	Very high	92	Very high	112 Å²	112	70.3 Å²	70.3	52%	0.523	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-44.2	-179.9	-162.8	-168.7	-11	0	0	111.4	N242 A247 R248 Y350	N242-Q244 PolarHBondContact O-N 3.11Å; N242-Q244 WeakPolarHBondContact OD1-CA 3.41Å; N242-Q244 VanDerWaalsContact OD1-CB 3.23Å; N242-Q244 WeakPolarHBondContact OD1-CB 3.34Å; N242-Q244 PolarHBondContact OD1-N 3.35Å; Q244-A247 WeakPolarHBondContact O-CB 3.18Å; Q244-A247 PolarHBondContact O-N 3.2Å; Q244-R248 PolarHBondContact O-N 3.34Å; Q244-Y350 HydrophobicContact CG-CE1 3.84Å; Q244-Y350 HydrophobicContact CG-CE2 4.18Å; Q244-Y350 WeakPolarHBondContact CG-OH 3.41Å; Q244-Y350 PolarHBondContact O-OH 3.07Å
245	D	93.2	Very high	92.2	Very high	18 Å²	18	69 Å²	69	10%	0.096	37%	0.374	C	S	.	.	H	α-helix	trans	-72.1	-40.1	179.2	-173.1	52.6	0	0	0	111.2	R241 N242 A247 R248 I249 Y350	R241-D245 VanDerWaalsContact CD-OD2 3.25Å; R241-D245 WeakPolarHBondContact CD-OD2 3.47Å; R241-D245 IonicContact CZ-OD2 2.77Å; R241-D245 IonicContact NE-OD2 2.98Å; R241-D245 IonicContact NH1-OD2 2.67Å; R241-D245 PolarHBondContact NH1-OD2 3.47Å; N242-D245 PolarHBondContact O-N 2.89Å; N242-D245 WeakPolarHBondContact OD1-CB 3.19Å; N242-D245 PolarHBondContact OD1-N 3.1Å; D245-A247 VanDerWaalsContact C-N 3.29Å; D245-A247 PolarHBondContact O-N 3.03Å; D245-R248 WeakPolarHBondContact O-CB 3.49Å; D245-R248 PolarHBondContact O-N 3.46Å; D245-R248 IonicContact OD1-NH1 2.86Å; D245-I249 WeakPolarHBondContact O-CD1 3.05Å; D245-I249 WeakPolarHBondContact O-CG1 3.12Å; D245-I249 PolarHBondContact O-N 3.29Å; D245-Y350 WeakPolarHBondContact CA-OH 3.47Å; D245-Y350 PolarHBondContact N-OH 3.22Å
246	L	95	Very high	92.2	Very high	59 Å²	59	69.3 Å²	69.3	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-58.1	-42.1	170.6	-68.3	175.2	0	0	0	111.7	F105 R241 N242 L243 I249 Y250	F105-L246 HydrophobicContact CE1-CD2 3.71Å; F105-L246 HydrophobicContact CZ-CD2 4.45Å; R241-L246 HydrophobicContact CB-CD2 3.97Å; R241-L246 HydrophobicContact CB-CG 4.04Å; N242-L246 WeakPolarHBondContact O-CG 3.42Å; N242-L246 PolarHBondContact O-N 3.2Å; L243-L246 PolarHBondContact O-N 3.43Å; L246-I249 PolarHBondContact O-N 3Å; L246-Y250 WeakPolarHBondContact O-CB 3.49Å; L246-Y250 PolarHBondContact O-N 3.43Å
247	A	95.6	Very high	92.3	Very high	43 Å²	43	71.4 Å²	71.4	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-64.3	-42.7	175.7	0	0	0	0	0	111.7	L243 Q244 D245 I249 Y250 I251	L243-A247 WeakPolarHBondContact O-CB 3.43Å; L243-A247 PolarHBondContact O-N 2.89Å; Q244-A247 WeakPolarHBondContact O-CB 3.18Å; Q244-A247 PolarHBondContact O-N 3.2Å; D245-A247 VanDerWaalsContact C-N 3.29Å; D245-A247 PolarHBondContact O-N 3.03Å; A247-I249 PolarHBondContact O-N 2.83Å; A247-Y250 PolarHBondContact O-N 3.31Å; A247-I251 WeakPolarHBondContact O-CB 3.25Å; A247-I251 WeakPolarHBondContact O-CD1 3.3Å; A247-I251 VanDerWaalsContact O-CG1 3.23Å; A247-I251 WeakPolarHBondContact O-CG1 3.21Å; A247-I251 PolarHBondContact O-N 3.08Å
248	R	95.5	Very high	92.6	Very high	22 Å²	22	71.6 Å²	71.6	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-55.5	-51.5	173.9	-173	-170.1	-77.2	175.6	-23.7	111.5	Q244 D245 Y250 I251 R252 Y350 L351	Q244-R248 PolarHBondContact O-N 3.34Å; D245-R248 WeakPolarHBondContact O-CB 3.49Å; D245-R248 PolarHBondContact O-N 3.46Å; D245-R248 IonicContact OD1-NH1 2.86Å; R248-Y250 VanDerWaalsContact C-N 3.32Å; R248-Y250 PolarHBondContact O-N 3.37Å; R248-I251 PolarHBondContact O-N 2.96Å; R248-R252 WeakPolarHBondContact O-CB 3.3Å; R248-R252 WeakPolarHBondContact O-CG 3.5Å; R248-R252 PolarHBondContact O-N 3.47Å; R248-Y350 HydrophobicContact CB-CD1 4.38Å; R248-Y350 HydrophobicContact CB-CE1 3.67Å; R248-Y350 HydrophobicContact CG-CD1 4.42Å; R248-Y350 HydrophobicContact CG-CE1 4.1Å; R248-Y350 PolarHBondContact NE-O 2.95Å; R248-Y350 PolarHBondContact NH2-O 3.37Å; R248-L351 HydrophobicContact CG-CD2 4.16Å
249	I	94.8	Very high	92.9	Very high	10 Å²	10	69 Å²	69	5%	0.051	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-49.1	-179.7	-71.4	158.2	0	0	0	109.8	P104 F105 D245 L246 A247 R252 R253	P104-I249 HydrophobicContact CB-CD1 3.6Å; P104-I249 HydrophobicContact CB-CG1 4.06Å; P104-I249 HydrophobicContact CB-CG2 4.09Å; P104-I249 HydrophobicContact CG-CD1 4.42Å; P104-I249 HydrophobicContact CG-CG2 3.7Å; F105-I249 HydrophobicContact CZ-CG2 4.48Å; D245-I249 WeakPolarHBondContact O-CD1 3.05Å; D245-I249 WeakPolarHBondContact O-CG1 3.12Å; D245-I249 PolarHBondContact O-N 3.29Å; L246-I249 PolarHBondContact O-N 3Å; A247-I249 PolarHBondContact O-N 2.83Å; I249-R252 PolarHBondContact O-N 3.43Å; I249-R253 WeakPolarHBondContact O-CB 3.22Å; I249-R253 PolarHBondContact O-N 3.29Å
250	Y	95.7	Very high	93.3	Very high	162 Å²	162	68 Å²	68	64%	0.635	34%	0.336	S	S	*	.	H	α-helix	trans	-63.1	-49.3	-177.9	-167.6	-95.9	0	0	0	111.8	L246 A247 R248 R252 R253 T254	L246-Y250 WeakPolarHBondContact O-CB 3.49Å; L246-Y250 PolarHBondContact O-N 3.43Å; A247-Y250 PolarHBondContact O-N 3.31Å; R248-Y250 VanDerWaalsContact C-N 3.32Å; R248-Y250 PolarHBondContact O-N 3.37Å; Y250-R252 PolarHBondContact O-N 2.85Å; Y250-R253 WeakPolarHBondContact O-CB 3.33Å; Y250-R253 PolarHBondContact O-N 3.29Å; Y250-T254 PolarHBondContact O-N 2.67Å; Y250-T254 PolarHBondContact O-OG1 2.76Å
251	I	95.6	Very high	93.6	Very high	64 Å²	64	65.9 Å²	65.9	33%	0.328	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-49.4	178	-68.1	164	0	0	0	110.6	A247 R248 R253 T254 L255 L351	A247-I251 WeakPolarHBondContact O-CB 3.25Å; A247-I251 WeakPolarHBondContact O-CD1 3.3Å; A247-I251 VanDerWaalsContact O-CG1 3.23Å; A247-I251 WeakPolarHBondContact O-CG1 3.21Å; A247-I251 PolarHBondContact O-N 3.08Å; R248-I251 PolarHBondContact O-N 2.96Å; I251-R253 VanDerWaalsContact C-N 3.33Å; I251-R253 PolarHBondContact O-N 3.49Å; I251-T254 PolarHBondContact O-N 3.14Å; I251-L255 HydrophobicContact CG2-CD1 4.14Å; I251-L255 WeakPolarHBondContact O-CG 3.36Å; I251-L255 PolarHBondContact O-N 3.3Å; I251-L351 HydrophobicContact CB-CD2 3.94Å; I251-L351 HydrophobicContact CD1-CD2 4.05Å; I251-L351 HydrophobicContact CG2-CD1 4.02Å; I251-L351 HydrophobicContact CG2-CD2 3.75Å
252	R	95.8	Very high	93.5	Very high	9 Å²	9	65.8 Å²	65.8	3%	0.034	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-37.8	178.9	-72	173.5	61.9	85.5	-2.7	112.4	D136 R248 I249 Y250 R256 L351	D136-R252 IonicContact OD1-CZ 3.09Å; D136-R252 IonicContact OD1-NH1 2.71Å; D136-R252 PolarHBondContact OD1-NH1 3Å; D136-R252 IonicContact OD1-NH2 3.67Å; D136-R252 PolarHBondContact OD1-NH2 3.31Å; R248-R252 WeakPolarHBondContact O-CB 3.3Å; R248-R252 WeakPolarHBondContact O-CG 3.5Å; R248-R252 PolarHBondContact O-N 3.47Å; I249-R252 PolarHBondContact O-N 3.43Å; Y250-R252 PolarHBondContact O-N 2.85Å; R252-R256 WeakPolarHBondContact O-CG 3.45Å; R252-R256 PolarHBondContact O-N 2.7Å; R252-R256 PolarHBondContact O-NE 3.09Å; R252-L351 WeakPolarHBondContact CD-O 3.35Å; R252-L351 PolarHBondContact NH1-O 3.02Å
253	R	95.2	Very high	93.1	Very high	90 Å²	90	64.1 Å²	64.1	34%	0.34	31%	0.313	S	S	.	.	H	α-helix	trans	-63	-48	174.2	179.7	-174.5	-84.9	-168.6	-9.5	110.8	E139 I249 Y250 I251 L255 R256 N257	E139-R253 VanDerWaalsContact CD-NH2 3.26Å; E139-R253 IonicContact OE1-CZ 3.62Å; E139-R253 VanDerWaalsContact OE1-CZ 3.26Å; E139-R253 IonicContact OE1-NE 3.26Å; E139-R253 PolarHBondContact OE1-NE 3.07Å; E139-R253 IonicContact OE1-NH2 3.79Å; E139-R253 PolarHBondContact OE1-NH2 3.15Å; E139-R253 VanDerWaalsContact OE1-NH2 3.09Å; E139-R253 IonicContact OE2-CZ 2.69Å; E139-R253 IonicContact OE2-NE 3.59Å; E139-R253 IonicContact OE2-NH2 3.8Å; E139-R253 PolarHBondContact OE2-NH2 2.73Å; I249-R253 WeakPolarHBondContact O-CB 3.22Å; I249-R253 PolarHBondContact O-N 3.29Å; Y250-R253 WeakPolarHBondContact O-CB 3.33Å; Y250-R253 PolarHBondContact O-N 3.29Å; I251-R253 VanDerWaalsContact C-N 3.33Å; I251-R253 PolarHBondContact O-N 3.49Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 3.36Å; R253-R256 PolarHBondContact O-N 2.83Å; R253-N257 PolarHBondContact O-N 2.87Å; R253-N257 PolarHBondContact O-OD1 3.27Å
254	T	95.5	Very high	92.5	Very high	46 Å²	46	64.2 Å²	64.2	28%	0.282	31%	0.31	S	S	.	.	H	α-helix	trans	-59	-45.6	178.2	-53	0	0	0	0	111.5	Y250 I251 R256 N257 F258	Y250-T254 PolarHBondContact O-N 2.67Å; Y250-T254 PolarHBondContact O-OG1 2.76Å; I251-T254 PolarHBondContact O-N 3.14Å; T254-R256 PolarHBondContact O-N 3.49Å; T254-N257 PolarHBondContact O-N 3.22Å; T254-F258 HydrophobicContact CG2-CD2 4.02Å; T254-F258 HydrophobicContact CG2-CE2 3.57Å; T254-F258 HydrophobicContact CG2-CZ 4.45Å; T254-F258 WeakPolarHBondContact O-CD2 3.5Å; T254-F258 PolarHBondContact O-N 3.02Å; T254-F258 VanDerWaalsContact O-N 3.1Å
255	L	94.8	Very high	91.9	Very high	21 Å²	21	63.2 Å²	63.2	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-40.7	177.6	-68.1	176.3	0	0	0	112.7	I251 R253 F258 I259 L334 K337 I338 L341	I251-L255 HydrophobicContact CG2-CD1 4.14Å; I251-L255 WeakPolarHBondContact O-CG 3.36Å; I251-L255 PolarHBondContact O-N 3.3Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 3.36Å; L255-F258 PolarHBondContact O-N 3.46Å; L255-I259 VanDerWaalsContact O-CG1 3.3Å; L255-I259 WeakPolarHBondContact O-CG1 3.26Å; L255-I259 PolarHBondContact O-N 2.98Å; L255-L334 HydrophobicContact CB-CD1 3.53Å; L255-L334 HydrophobicContact CD1-CD1 4.06Å; L255-L334 HydrophobicContact CG-CD1 4.47Å; L255-K337 HydrophobicContact CD2-CB 4.44Å; L255-I338 HydrophobicContact CD1-CD1 4.5Å; L255-I338 HydrophobicContact CD1-CG1 3.55Å; L255-L341 HydrophobicContact CD1-CD1 4.2Å
256	R	93.6	Very high	91.2	Very high	32 Å²	32	69.4 Å²	69.4	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-41.1	175.4	-77.7	179.1	-68.6	152.7	-1.4	112.5	D136 F138 E139 R252 R253 T254 F258 I259 N260 L334	D136-R256 WeakPolarHBondContact O-CD 3.37Å; F138-R256 VanDerWaalsContact C-NH1 3.26Å; F138-R256 PolarHBondContact O-NH1 2.95Å; E139-R256 VanDerWaalsContact CG-NH1 3.3Å; E139-R256 IonicContact OE1-NH2 3.66Å; E139-R256 PolarHBondContact OE1-NH2 3.31Å; R252-R256 WeakPolarHBondContact O-CG 3.45Å; R252-R256 PolarHBondContact O-N 2.7Å; R252-R256 PolarHBondContact O-NE 3.09Å; R253-R256 PolarHBondContact O-N 2.83Å; T254-R256 PolarHBondContact O-N 3.49Å; R256-F258 VanDerWaalsContact C-N 3.33Å; R256-F258 PolarHBondContact O-N 3.19Å; R256-I259 PolarHBondContact O-N 2.95Å; R256-N260 WeakPolarHBondContact O-CB 3.41Å; R256-N260 VanDerWaalsContact O-CG 3.27Å; R256-N260 PolarHBondContact O-N 3.46Å; R256-N260 PolarHBondContact O-ND2 2.95Å; R256-L334 HydrophobicContact CG-CD1 4.11Å; R256-L334 HydrophobicContact CG-CD2 4.09Å
257	N	92.5	Very high	89.4	Confident	83 Å²	83	69.5 Å²	69.5	44%	0.444	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-45.8	175.8	-68.6	-5.2	0	0	0	110.8	R253 T254 I259 N260 D261	R253-N257 PolarHBondContact O-N 2.87Å; R253-N257 PolarHBondContact O-OD1 3.27Å; T254-N257 PolarHBondContact O-N 3.22Å; N257-I259 VanDerWaalsContact C-N 3.34Å; N257-I259 PolarHBondContact O-N 3.25Å; N257-N260 PolarHBondContact O-N 2.91Å; N257-D261 PolarHBondContact O-N 2.87Å
258	F	92.5	Very high	87.5	Confident	118 Å²	118	71.8 Å²	71.8	52%	0.518	37%	0.367	S	S	.	.	H	α-helix	trans	-59.7	-41.5	174.6	-75.4	-57.3	0	0	0	113.2	T254 L255 R256 D261 E262	T254-F258 HydrophobicContact CG2-CD2 4.02Å; T254-F258 HydrophobicContact CG2-CE2 3.57Å; T254-F258 HydrophobicContact CG2-CZ 4.45Å; T254-F258 WeakPolarHBondContact O-CD2 3.5Å; T254-F258 PolarHBondContact O-N 3.02Å; T254-F258 VanDerWaalsContact O-N 3.1Å; L255-F258 PolarHBondContact O-N 3.46Å; R256-F258 VanDerWaalsContact C-N 3.33Å; R256-F258 PolarHBondContact O-N 3.19Å; F258-D261 PolarHBondContact O-N 3.4Å; F258-E262 WeakPolarHBondContact O-CB 3.39Å; F258-E262 WeakPolarHBondContact O-CG 3.34Å; F258-E262 PolarHBondContact O-N 3.09Å
259	I	90.6	Very high	85.3	Confident	13 Å²	13	75.5 Å²	75.5	7%	0.067	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-45.7	176.6	-68.4	161.9	0	0	0	110.4	L255 R256 N257 D261 E262 M263 L333 L334 K337	L255-I259 VanDerWaalsContact O-CG1 3.3Å; L255-I259 WeakPolarHBondContact O-CG1 3.26Å; L255-I259 PolarHBondContact O-N 2.98Å; R256-I259 PolarHBondContact O-N 2.95Å; N257-I259 VanDerWaalsContact C-N 3.34Å; N257-I259 PolarHBondContact O-N 3.25Å; I259-D261 PolarHBondContact O-N 2.77Å; I259-E262 PolarHBondContact O-N 3.18Å; I259-M263 HydrophobicContact CG2-CG 4.46Å; I259-M263 HydrophobicContact CG2-SD 4.15Å; I259-M263 WeakPolarHBondContact O-CG 3.43Å; I259-M263 PolarHBondContact O-N 2.79Å; I259-L333 HydrophobicContact CD1-CB 4.05Å; I259-L333 HydrophobicContact CG1-CB 4.46Å; I259-L333 HydrophobicContact CG2-CB 4.13Å; I259-L333 HydrophobicContact CG2-CD1 3.79Å; I259-L334 HydrophobicContact CD1-CB 4.17Å; I259-L334 HydrophobicContact CD1-CD1 4.3Å; I259-K337 HydrophobicContact CD1-CG 4.04Å; I259-K337 HydrophobicContact CG1-CG 4.03Å
260	N	87.6	Confident	83.1	Confident	63 Å²	63	81.6 Å²	81.6	34%	0.337	42%	0.422	S	S	.	.	H	α-helix	trans	-62.5	-43.6	179.2	-70	-20.8	0	0	0	111.5	R256 N257 M263 Q264	R256-N260 WeakPolarHBondContact O-CB 3.41Å; R256-N260 VanDerWaalsContact O-CG 3.27Å; R256-N260 PolarHBondContact O-N 3.46Å; R256-N260 PolarHBondContact O-ND2 2.95Å; N257-N260 PolarHBondContact O-N 2.91Å; N260-M263 PolarHBondContact O-N 2.64Å; N260-Q264 WeakPolarHBondContact O-CG 3.39Å; N260-Q264 PolarHBondContact O-N 3.3Å
261	D	89.3	Confident	80.5	Confident	95 Å²	95	84.1 Å²	84.1	51%	0.508	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-43.2	177	-64.9	-17.5	0	0	0	111.3	N257 F258 I259 M263 Q264 A265	N257-D261 PolarHBondContact O-N 2.87Å; F258-D261 PolarHBondContact O-N 3.4Å; I259-D261 PolarHBondContact O-N 2.77Å; D261-M263 PolarHBondContact O-N 2.98Å; D261-Q264 PolarHBondContact O-N 2.97Å; D261-A265 WeakPolarHBondContact O-CB 3.18Å; D261-A265 PolarHBondContact O-N 2.98Å
262	E	88.8	Confident	77.8	Confident	82 Å²	82	84.9 Å²	84.9	38%	0.383	45%	0.447	S	S	.	.	H	α-helix	trans	-63	-39.3	175.4	-77.7	178.3	-166.7	0	0	112.4	F258 I259 K266 K337	F258-E262 WeakPolarHBondContact O-CB 3.39Å; F258-E262 WeakPolarHBondContact O-CG 3.34Å; F258-E262 PolarHBondContact O-N 3.09Å; I259-E262 PolarHBondContact O-N 3.18Å; E262-K266 VanDerWaalsContact O-CG 3.32Å; E262-K266 WeakPolarHBondContact O-CG 3.13Å; E262-K266 PolarHBondContact O-N 2.86Å; E262-K266 VanDerWaalsContact O-N 3.17Å; E262-K337 IonicContact OE1-NZ 3.56Å; E262-K337 PolarHBondContact OE1-NZ 3.17Å; E262-K337 IonicContact OE2-NZ 3.44Å; E262-K337 PolarHBondContact OE2-NZ 2.73Å
263	M	83.9	Confident	75.1	Confident	58 Å²	58	86.9 Å²	86.9	29%	0.286	46%	0.461	S	S	.	.	H	α-helix	trans	-68.2	-42.9	177.5	-73.1	-175.5	72.8	0	0	111.7	I259 N260 D261 K266 G267 I268 L333	I259-M263 HydrophobicContact CG2-CG 4.46Å; I259-M263 HydrophobicContact CG2-SD 4.15Å; I259-M263 WeakPolarHBondContact O-CG 3.43Å; I259-M263 PolarHBondContact O-N 2.79Å; N260-M263 PolarHBondContact O-N 2.64Å; D261-M263 PolarHBondContact O-N 2.98Å; M263-K266 PolarHBondContact O-N 3.37Å; M263-G267 PolarHBondContact O-N 3.31Å; M263-I268 PolarHBondContact O-N 3.27Å; M263-L333 HydrophobicContact SD-CD1 4.19Å
264	Q	82.2	Confident	72.2	Confident	148 Å²	148	87.7 Å²	87.7	69%	0.692	48%	0.478	S	S	*	.	H	α-helix	trans	-62.6	-43.5	175.3	-73.3	-177.4	10.2	0	0	111.6	N260 D261 K266 G267	N260-Q264 WeakPolarHBondContact O-CG 3.39Å; N260-Q264 PolarHBondContact O-N 3.3Å; D261-Q264 PolarHBondContact O-N 2.97Å; Q264-K266 VanDerWaalsContact C-N 3.26Å; Q264-K266 PolarHBondContact O-N 3.2Å; Q264-G267 PolarHBondContact O-N 2.66Å
265	A	81.4	Confident	69.4	Low	91 Å²	91	95.4 Å²	95.4	75%	0.752	51%	0.507	S	S	*	.	H	α-helix	trans	-63.5	-29.8	178.1	0	0	0	0	0	113.3	D261 G267	D261-A265 WeakPolarHBondContact O-CB 3.18Å; D261-A265 PolarHBondContact O-N 2.98Å; A265-G267 PolarHBondContact O-N 3.31Å
266	K	79	Confident	66.9	Low	148 Å²	148	103.4 Å²	103.4	64%	0.643	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.2	176	-72.4	175.7	-176.7	178.4	0	113.7	E262 M263 Q264 I268	E262-K266 VanDerWaalsContact O-CG 3.32Å; E262-K266 WeakPolarHBondContact O-CG 3.13Å; E262-K266 PolarHBondContact O-N 2.86Å; E262-K266 VanDerWaalsContact O-N 3.17Å; M263-K266 PolarHBondContact O-N 3.37Å; Q264-K266 VanDerWaalsContact C-N 3.26Å; Q264-K266 PolarHBondContact O-N 3.2Å; K266-I268 HydrophobicContact CB-CD1 4.02Å; K266-I268 HydrophobicContact CB-CG1 4.03Å; K266-I268 HydrophobicContact CD-CD1 4.36Å; K266-I268 PolarHBondContact O-N 2.79Å; K266-I268 VanDerWaalsContact O-N 3.17Å
267	G	58.4	Low	64.1	Low	61 Å²	61	111.8 Å²	111.8	63%	0.629	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	64	16.5	-178.1	0	0	0	0	0	113.7	M263 Q264 A265 P269	M263-G267 PolarHBondContact O-N 3.31Å; Q264-G267 PolarHBondContact O-N 2.66Å; A265-G267 PolarHBondContact O-N 3.31Å; G267-P269 VanDerWaalsContact O-CD 3.24Å; G267-P269 WeakPolarHBondContact O-CD 3.45Å
268	I	54.3	Low	61.7	Low	91 Å²	91	114 Å²	114	47%	0.467	58%	0.576	S	S	.	*			trans	-79.7	109.6	174.5	-59.3	171.5	0	0	0	105.3	M263 K266 Q270	M263-I268 PolarHBondContact O-N 3.27Å; K266-I268 HydrophobicContact CB-CD1 4.02Å; K266-I268 HydrophobicContact CB-CG1 4.03Å; K266-I268 HydrophobicContact CD-CD1 4.36Å; K266-I268 PolarHBondContact O-N 2.79Å; K266-I268 VanDerWaalsContact O-N 3.17Å; I268-Q270 PolarHBondContact O-N 3.22Å
269	P	49.3	Very low	59.1	Low	101 Å²	101	115.6 Å²	115.6	66%	0.656	58%	0.582	S	S	*	*			trans	-57.8	141.4	170.8	-7.2	21.3	0	0	0	107.1	G267 R271	G267-P269 VanDerWaalsContact O-CD 3.24Å; G267-P269 WeakPolarHBondContact O-CD 3.45Å; P269-R271 PolarHBondContact O-N 2.72Å
270	Q	48.7	Very low	56.4	Low	137 Å²	137	126.4 Å²	126.4	64%	0.64	62%	0.622	S	S	*	*			trans	-49.9	114.4	158.1	-75.9	-170.8	-9.6	0	0	105.4	I268 A272	I268-Q270 PolarHBondContact O-N 3.22Å; Q270-A272 PolarHBondContact O-N 3.44Å
271	R	40.6	Very low	53.8	Low	216 Å²	216	129.9 Å²	129.9	82%	0.815	65%	0.645	S	S	*	*			trans	-48.9	103.7	-173.1	-101.2	-179.8	169.9	-173.1	-4.5	107.1	P269 E327	P269-R271 PolarHBondContact O-N 2.72Å; R271-E327 IonicContact NH1-OE1 2.7Å
272	A	39.8	Very low	51.2	Low	80 Å²	80	132.7 Å²	132.7	66%	0.661	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-61.1	131.5	153.4	0	0	0	0	0	104.2	Q270	Q270-A272 PolarHBondContact O-N 3.44Å
273	P	39.2	Very low	48.5	Very low	51 Å²	51	136.8 Å²	136.8	33%	0.331	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-52.8	142.7	178.4	21.5	-30.5	0	0	0	108.4	K275	P273-K275 PolarHBondContact O-N 3.5Å
274	P	34.9	Very low	46.2	Very low	107 Å²	107	145.4 Å²	145.4	70%	0.695	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-54.7	122.3	177.2	23.2	-30.7	0	0	0	107.2	R276	P274-R276 PolarHBondContact O-N 2.96Å
275	K	36.6	Very low	44	Very low	207 Å²	207	145.2 Å²	145.2	90%	0.9	70%	0.704	S	S	*	*			trans	-63.6	88.4	169.5	-72.6	-172.9	177.5	-174.8	0	107.1	P273 K277	P273-K275 PolarHBondContact O-N 3.5Å; K275-K277 PolarHBondContact O-N 3.48Å; K275-K277 VanDerWaalsContact O-N 3.15Å
276	R	42.2	Very low	41.8	Very low	190 Å²	190	145 Å²	145	72%	0.717	69%	0.69	S	S	*	*			trans	-63	116.2	168.4	-80.5	-177.2	167.2	175.9	-1.3	106.2	P274 R278	P274-R276 PolarHBondContact O-N 2.96Å; R276-R278 PolarHBondContact O-N 2.87Å
277	K	34.8	Very low	39.8	Very low	208 Å²	208	142.4 Å²	142.4	90%	0.904	69%	0.687	S	S	*	*			trans	-61.3	109.5	173.2	-74.7	180	-179.7	172.8	0	106.8	K275 K279	K275-K277 PolarHBondContact O-N 3.48Å; K275-K277 VanDerWaalsContact O-N 3.15Å; K277-K279 PolarHBondContact O-N 3.01Å
278	R	41.9	Very low	39.2	Very low	130 Å²	130	145.5 Å²	145.5	49%	0.491	68%	0.68	S	S	.	*			trans	-55.7	124.7	174	-79.6	-179.7	149.7	160.4	-0.3	109.9	N17 E20 R276 R280	N17-R278 PolarHBondContact ND2-NH2 2.86Å; N17-R278 PolarHBondContact OD1-NH1 3.41Å; N17-R278 PolarHBondContact OD1-NH2 3.24Å; E20-R278 IonicContact OE2-NH1 2.56Å; R276-R278 PolarHBondContact O-N 2.87Å; R278-R280 PolarHBondContact O-N 3.21Å; R278-R280 VanDerWaalsContact O-N 3.15Å
279	K	38.5	Very low	38.7	Very low	151 Å²	151	145.2 Å²	145.2	66%	0.657	68%	0.682	S	S	*	*			trans	-56.6	118.1	163.3	-82.4	-178.1	174.1	176.6	0	107.8	K277 V281 E316	K277-K279 PolarHBondContact O-N 3.01Å; K279-V281 PolarHBondContact O-N 2.79Å; K279-E316 IonicContact NZ-OE1 3.69Å; K279-E316 PolarHBondContact NZ-OE1 2.95Å
280	R	32.3	Very low	38.2	Very low	239 Å²	239	147.3 Å²	147.3	90%	0.902	68%	0.681	S	S	*	*			trans	-63.9	105.8	168.6	-81.4	-178.5	170.1	-177.6	-3	107.4	R278 K282	R278-R280 PolarHBondContact O-N 3.21Å; R278-R280 VanDerWaalsContact O-N 3.15Å; R280-K282 VanDerWaalsContact C-N 3.34Å; R280-K282 PolarHBondContact O-N 2.9Å
281	V	33.9	Very low	37.9	Very low	136 Å²	136	146.2 Å²	146.2	82%	0.824	68%	0.684	S	S	*	*			trans	-65.5	98.1	164.7	179.5	0	0	0	0	106.8	K279 Q283	K279-V281 PolarHBondContact O-N 2.79Å; V281-Q283 PolarHBondContact O-N 3.45Å
282	K	34.1	Very low	38.7	Very low	154 Å²	154	138.8 Å²	138.8	67%	0.67	67%	0.674	S	S	*	*			trans	-64.8	104.6	172.3	-79.1	-176	-179.2	175.1	0	107.5	R280 R284 D305	R280-K282 VanDerWaalsContact C-N 3.34Å; R280-K282 PolarHBondContact O-N 2.9Å; K282-R284 PolarHBondContact O-N 2.94Å; K282-D305 IonicContact NZ-OD1 3.85Å
283	Q	33.6	Very low	38.9	Very low	169 Å²	169	143.1 Å²	143.1	79%	0.79	69%	0.687	S	S	*	*			trans	-59.5	120.6	158.6	-83.1	176.8	-19.2	0	0	107.3	V281 I285	V281-Q283 PolarHBondContact O-N 3.45Å; Q283-I285 PolarHBondContact O-N 3.49Å
284	R	34.8	Very low	38.8	Very low	239 Å²	239	147.8 Å²	147.8	90%	0.902	70%	0.704	S	S	*	*			trans	-60.4	100.6	169.6	-82.9	-178	166.1	-179.8	-5.3	108.1	K282 N286	K282-R284 PolarHBondContact O-N 2.94Å; R284-N286 PolarHBondContact O-N 3.29Å
285	I	35	Very low	38.9	Very low	143 Å²	143	146.9 Å²	146.9	73%	0.733	69%	0.693	S	S	*	*			trans	-76.4	99.7	170.1	-61.7	172.4	0	0	0	106.2	Q283 T287	Q283-I285 PolarHBondContact O-N 3.49Å; I285-T287 PolarHBondContact O-N 3.2Å; I285-T287 VanDerWaalsContact O-N 3.11Å
286	N	35.8	Very low	39.2	Very low	87 Å²	87	141.9 Å²	141.9	47%	0.465	68%	0.675	S	S	.	*			trans	-67.6	107.6	164.8	-79.3	-11.3	0	0	0	107.6	R284 Y288	R284-N286 PolarHBondContact O-N 3.29Å; N286-Y288 HydrophobicContact CB-CE2 4.26Å; N286-Y288 WeakPolarHBondContact O-CD2 3.29Å
287	T	36.8	Very low	39.1	Very low	93 Å²	93	136.2 Å²	136.2	57%	0.571	66%	0.663	S	S	*	*			trans	-79.9	120.5	172.1	-56.2	0	0	0	0	107.9	I285	I285-T287 PolarHBondContact O-N 3.2Å; I285-T287 VanDerWaalsContact O-N 3.11Å
288	Y	46.7	Very low	39.4	Very low	127 Å²	127	133.3 Å²	133.3	50%	0.498	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.4	126.5	178.7	-64.4	-81.3	0	0	0	110.1	N286 L295 P297	N286-Y288 HydrophobicContact CB-CE2 4.26Å; N286-Y288 WeakPolarHBondContact O-CD2 3.29Å; Y288-L295 HydrophobicContact CD1-CD2 3.41Å; Y288-L295 VanDerWaalsContact CD1-CD2 3.41Å; Y288-L295 HydrophobicContact CD1-CG 4.2Å; Y288-L295 HydrophobicContact CD2-CD2 4.15Å; Y288-L295 HydrophobicContact CE1-CD2 4.07Å; Y288-L295 HydrophobicContact CG-CD2 3.43Å; Y288-L295 VanDerWaalsContact CG-CD2 3.43Å; Y288-L295 HydrophobicContact CG-CG 4.31Å; Y288-P297 HydrophobicContact CD1-CB 4.38Å; Y288-P297 HydrophobicContact CE1-CB 4.16Å; Y288-P297 HydrophobicContact CE1-CG 4.3Å
289	V	44.4	Very low	39.3	Very low	84 Å²	84	132.2 Å²	132.2	51%	0.509	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	129.9	175.1	-171.7	0	0	0	0	108.6
290	F	37.2	Very low	39.5	Very low	145 Å²	145	132.2 Å²	132.2	64%	0.636	67%	0.669	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.9	123.2	174.5	-92.6	-90.8	0	0	0	110.2	G292 L295	F290-G292 WeakPolarHBondContact CD1-O 3.21Å; F290-L295 HydrophobicContact CD1-CD1 4.21Å; F290-L295 HydrophobicContact CD2-CD1 3.97Å; F290-L295 HydrophobicContact CE1-CD1 3.63Å; F290-L295 HydrophobicContact CE2-CD1 3.35Å; F290-L295 HydrophobicContact CE2-CG 4.46Å; F290-L295 HydrophobicContact CG-CD1 4.37Å; F290-L295 HydrophobicContact CZ-CD1 3.17Å
291	V	42.7	Very low	39.9	Very low	115 Å²	115	128.4 Å²	128.4	70%	0.697	67%	0.666	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.9	94.4	166.3	-174.6	0	0	0	0	107.3
292	G	58.1	Low	40.5	Very low	59 Å²	59	124.2 Å²	124.2	61%	0.608	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.9	-146.7	-169.3	0	0	0	0	0	112.8	F290 Q294	F290-G292 WeakPolarHBondContact CD1-O 3.21Å; G292-Q294 VanDerWaalsContact C-N 3.3Å; G292-Q294 PolarHBondContact O-N 3.38Å
293	N	43.4	Very low	40.9	Very low	172 Å²	172	125.1 Å²	125.1	92%	0.92	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	19.9	-176	-80.5	21.8	0	0	0	114.8
294	Q	36.4	Very low	41.4	Very low	148 Å²	148	124 Å²	124	69%	0.692	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131.7	140.5	175.6	-73.4	-174.6	-1.5	0	0	112.5	G292	G292-Q294 VanDerWaalsContact C-N 3.3Å; G292-Q294 PolarHBondContact O-N 3.38Å
295	L	37.1	Very low	41.9	Very low	88 Å²	88	116 Å²	116	46%	0.461	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.2	124.7	175.6	-116.9	90.5	0	0	0	109.5	Y288 F290	Y288-L295 HydrophobicContact CD1-CD2 3.41Å; Y288-L295 VanDerWaalsContact CD1-CD2 3.41Å; Y288-L295 HydrophobicContact CD1-CG 4.2Å; Y288-L295 HydrophobicContact CD2-CD2 4.15Å; Y288-L295 HydrophobicContact CE1-CD2 4.07Å; Y288-L295 HydrophobicContact CG-CD2 3.43Å; Y288-L295 VanDerWaalsContact CG-CD2 3.43Å; Y288-L295 HydrophobicContact CG-CG 4.31Å; F290-L295 HydrophobicContact CD1-CD1 4.21Å; F290-L295 HydrophobicContact CD2-CD1 3.97Å; F290-L295 HydrophobicContact CE1-CD1 3.63Å; F290-L295 HydrophobicContact CE2-CD1 3.35Å; F290-L295 HydrophobicContact CE2-CG 4.46Å; F290-L295 HydrophobicContact CG-CD1 4.37Å; F290-L295 HydrophobicContact CZ-CD1 3.17Å
296	I	43.5	Very low	42.4	Very low	102 Å²	102	116 Å²	116	52%	0.523	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.8	127.3	173.9	-55	177.7	0	0	0	109
297	P	39.9	Very low	42.7	Very low	72 Å²	72	119.2 Å²	119.2	47%	0.468	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.7	132.7	171.3	14	-3.7	0	0	0	111	Y288	Y288-P297 HydrophobicContact CD1-CB 4.38Å; Y288-P297 HydrophobicContact CE1-CB 4.16Å; Y288-P297 HydrophobicContact CE1-CG 4.3Å
298	Q	40.6	Very low	43.2	Very low	147 Å²	147	119.5 Å²	119.5	69%	0.687	62%	0.622	S	S	*	*			trans	-108.6	130.6	166.3	-86.5	-167.5	-10.2	0	0	110.4
299	P	41.1	Very low	43.2	Very low	107 Å²	107	119.5 Å²	119.5	70%	0.695	63%	0.627	S	S	*	*			trans	-76.2	129.2	161.1	6.2	9.8	0	0	0	109.4
300	L	41.5	Very low	43.2	Very low	151 Å²	151	122 Å²	122	79%	0.791	63%	0.633	S	S	*	*			trans	-87.4	103.6	161.1	-92.2	151.6	0	0	0	106.6
301	D	42.2	Very low	43.6	Very low	159 Å²	159	120.1 Å²	120.1	85%	0.85	63%	0.629	S	S	*	*			trans	-88.5	97.9	162	-71.3	-26.6	0	0	0	106.5
302	S	45.6	Very low	43.7	Very low	47 Å²	47	118.6 Å²	118.6	33%	0.329	62%	0.617	S	S	.	*			trans	-98.9	129.1	172.5	38.5	0	0	0	0	109.9	E304 D305	S302-E304 PolarHBondContact O-N 2.68Å; S302-D305 PolarHBondContact O-N 2.78Å; S302-D305 PolarHBondContact OG-OD2 2.93Å; S302-D305 VanDerWaalsContact OG-OD2 3.07Å
303	E	41.9	Very low	43	Very low	174 Å²	174	121.9 Å²	121.9	81%	0.813	61%	0.614	S	S	*	*	H	α-helix	trans	-58.6	-7	175.1	-64.8	-161.7	172	0	0	114.2
304	E	45.1	Very low	42.9	Very low	146 Å²	146	119.7 Å²	119.7	68%	0.682	60%	0.599	S	S	*	*	H	α-helix	trans	-72.7	-25.8	169.2	-66.8	-170.6	164.5	0	0	112.9	S302 M308	S302-E304 PolarHBondContact O-N 2.68Å; E304-M308 WeakPolarHBondContact O-CG 3.33Å; E304-M308 PolarHBondContact O-N 3.4Å
305	D	44.6	Very low	43.2	Very low	69 Å²	69	119 Å²	119	37%	0.369	60%	0.596	S	S	.	*	H	α-helix	trans	-75.9	-35.5	179.7	-73.8	-50.5	0	0	0	112	K282 S302 M308 E309	K282-D305 IonicContact NZ-OD1 3.85Å; S302-D305 PolarHBondContact O-N 2.78Å; S302-D305 PolarHBondContact OG-OD2 2.93Å; S302-D305 VanDerWaalsContact OG-OD2 3.07Å; D305-M308 PolarHBondContact O-N 3.02Å; D305-E309 PolarHBondContact O-N 3.31Å
306	E	44.9	Very low	43.4	Very low	144 Å²	144	119.1 Å²	119.1	67%	0.673	59%	0.594	S	S	*	*	H	α-helix	trans	-68.1	-39.1	177.4	-70.5	-171.7	165.2	0	0	112.2	E309 E310	E306-E309 PolarHBondContact O-N 3.23Å; E306-E310 PolarHBondContact O-N 3.47Å; E306-E310 VanDerWaalsContact O-N 3.12Å
307	K	43.8	Very low	43.3	Very low	154 Å²	154	121.7 Å²	121.7	67%	0.67	60%	0.604	S	S	*	*	H	α-helix	trans	-66.1	-36.1	174	-83.1	-177	176.4	175.5	0	113	E309 E310 D311	K307-E309 VanDerWaalsContact C-N 3.33Å; K307-E310 PolarHBondContact O-N 3.09Å; K307-D311 PolarHBondContact O-N 2.98Å; K307-D311 VanDerWaalsContact O-N 3.07Å
308	M	46.7	Very low	43.3	Very low	100 Å²	100	125.4 Å²	125.4	49%	0.493	61%	0.613	S	S	.	*	H	α-helix	trans	-69.7	-29.7	174.1	-75.3	-160.9	-159.9	0	0	112.5	E304 D305 N312	E304-M308 WeakPolarHBondContact O-CG 3.33Å; E304-M308 PolarHBondContact O-N 3.4Å; D305-M308 PolarHBondContact O-N 3.02Å; M308-N312 WeakPolarHBondContact O-CB 3.46Å; M308-N312 PolarHBondContact O-N 3.22Å; M308-N312 VanDerWaalsContact O-N 3.11Å; M308-N312 PolarHBondContact O-ND2 3.09Å
309	E	46.8	Very low	43.2	Very low	127 Å²	127	124 Å²	124	59%	0.593	61%	0.61	S	S	*	*	H	α-helix	trans	-72.8	-34.8	175.1	-78.2	-165.8	176.8	0	0	112.7	D305 E306 K307 K313	D305-E309 PolarHBondContact O-N 3.31Å; E306-E309 PolarHBondContact O-N 3.23Å; K307-E309 VanDerWaalsContact C-N 3.33Å; E309-K313 WeakPolarHBondContact O-CG 3.49Å; E309-K313 PolarHBondContact O-N 2.96Å
310	E	45.1	Very low	43.1	Very low	136 Å²	136	125.9 Å²	125.9	64%	0.636	61%	0.609	S	S	*	*	H	α-helix	trans	-70.3	-45.3	173.4	-74.4	-172.4	156	0	0	112.1	E306 K307 N312 K313 E314	E306-E310 PolarHBondContact O-N 3.47Å; E306-E310 VanDerWaalsContact O-N 3.12Å; K307-E310 PolarHBondContact O-N 3.09Å; E310-N312 VanDerWaalsContact C-N 3.31Å; E310-N312 PolarHBondContact O-N 3.03Å; E310-K313 PolarHBondContact O-N 3.27Å; E310-K313 VanDerWaalsContact O-N 3.12Å; E310-E314 PolarHBondContact O-N 2.65Å
311	D	44.4	Very low	42.8	Very low	106 Å²	106	123 Å²	123	57%	0.567	60%	0.602	S	S	*	*	H	α-helix	trans	-61.6	-37.5	176.3	-81.2	-18.4	0	0	0	111.8	K307 E315	K307-D311 PolarHBondContact O-N 2.98Å; K307-D311 VanDerWaalsContact O-N 3.07Å; D311-E315 PolarHBondContact O-N 2.79Å
312	N	44.6	Very low	42.5	Very low	82 Å²	82	123.1 Å²	123.1	44%	0.439	60%	0.597	S	S	.	*	H	α-helix	trans	-68.2	-33.5	175	-85.8	-61.7	0	0	0	112.9	M308 E310 E316	M308-N312 WeakPolarHBondContact O-CB 3.46Å; M308-N312 PolarHBondContact O-N 3.22Å; M308-N312 VanDerWaalsContact O-N 3.11Å; M308-N312 PolarHBondContact O-ND2 3.09Å; E310-N312 VanDerWaalsContact C-N 3.31Å; E310-N312 PolarHBondContact O-N 3.03Å; N312-E316 WeakPolarHBondContact O-CB 3.34Å; N312-E316 VanDerWaalsContact O-CG 3.27Å; N312-E316 WeakPolarHBondContact O-CG 3.38Å; N312-E316 PolarHBondContact O-N 3.05Å
313	K	44.2	Very low	42.3	Very low	128 Å²	128	124.4 Å²	124.4	56%	0.557	61%	0.61	S	S	*	*	H	α-helix	trans	-71.3	-39.1	176.6	-81.2	172.8	-178.8	163.4	0	111.8	E309 E310 E316 E317	E309-K313 WeakPolarHBondContact O-CG 3.49Å; E309-K313 PolarHBondContact O-N 2.96Å; E310-K313 PolarHBondContact O-N 3.27Å; E310-K313 VanDerWaalsContact O-N 3.12Å; K313-E316 PolarHBondContact O-N 3.35Å; K313-E317 PolarHBondContact O-N 3.42Å
314	E	41.9	Very low	42	Very low	127 Å²	127	124.2 Å²	124.2	59%	0.593	61%	0.611	S	S	*	*	H	α-helix	trans	-69.7	-33.9	175.3	-71.5	-165.2	174.6	0	0	112.6	E310 K318	E310-E314 PolarHBondContact O-N 2.65Å; E314-K318 PolarHBondContact O-N 2.9Å
315	E	42.3	Very low	41.4	Very low	134 Å²	134	125.6 Å²	125.6	63%	0.626	62%	0.615	S	S	*	*	H	α-helix	trans	-68.5	-39.5	170.4	-76.9	-168.4	165.9	0	0	112	D311 K318 D319	D311-E315 PolarHBondContact O-N 2.79Å; E315-K318 PolarHBondContact O-N 3.1Å; E315-D319 PolarHBondContact O-N 2.86Å
316	E	41.2	Very low	40.9	Very low	90 Å²	90	128.1 Å²	128.1	42%	0.421	64%	0.636	S	S	.	*	H	α-helix	trans	-63.2	-40	175.4	-82.2	179	-177.7	0	0	113	K279 N312 K313 H320	K279-E316 IonicContact NZ-OE1 3.69Å; K279-E316 PolarHBondContact NZ-OE1 2.95Å; N312-E316 WeakPolarHBondContact O-CB 3.34Å; N312-E316 VanDerWaalsContact O-CG 3.27Å; N312-E316 WeakPolarHBondContact O-CG 3.38Å; N312-E316 PolarHBondContact O-N 3.05Å; K313-E316 PolarHBondContact O-N 3.35Å; E316-H320 WeakPolarHBondContact O-CB 3.28Å; E316-H320 PolarHBondContact O-N 2.86Å
317	E	41.1	Very low	40.6	Very low	156 Å²	156	129 Å²	129	73%	0.729	64%	0.639	S	S	*	*	H	α-helix	trans	-69.6	-33.5	176.2	-77.6	-168.5	164.4	0	0	112.6	K313 S321	K313-E317 PolarHBondContact O-N 3.42Å; E317-S321 PolarHBondContact O-N 3.17Å
318	K	38.8	Very low	40.5	Very low	150 Å²	150	129.9 Å²	129.9	65%	0.652	65%	0.646	S	S	*	*	H	α-helix	trans	-71.1	-43.5	173.7	-84.9	177.3	179.9	161.7	0	112.5	E314 E315 H320 S321 E322	E314-K318 PolarHBondContact O-N 2.9Å; E315-K318 PolarHBondContact O-N 3.1Å; K318-H320 VanDerWaalsContact C-N 3.34Å; K318-H320 PolarHBondContact O-N 2.92Å; K318-S321 PolarHBondContact O-N 3.43Å; K318-S321 VanDerWaalsContact O-N 3.15Å; K318-S321 PolarHBondContact O-OG 3.49Å; K318-E322 PolarHBondContact O-N 2.75Å
319	D	40	Very low	40.5	Very low	117 Å²	117	130.5 Å²	130.5	63%	0.626	66%	0.658	S	S	*	*	H	α-helix	trans	-67.3	-34	178.1	-104.9	-7.6	0	0	0	112.1	E315 S321 E322 A323	E315-D319 PolarHBondContact O-N 2.86Å; D319-S321 PolarHBondContact O-N 2.65Å; D319-E322 PolarHBondContact O-N 3.17Å; D319-A323 WeakPolarHBondContact O-CB 3.3Å; D319-A323 PolarHBondContact O-N 3.27Å
320	H	38.8	Very low	41.1	Very low	146 Å²	146	128.9 Å²	128.9	68%	0.676	66%	0.658	S	S	*	*	H	α-helix	trans	-65.4	-26.1	174	-108.9	-50.2	0	0	0	113.2	E316 K318	E316-H320 WeakPolarHBondContact O-CB 3.28Å; E316-H320 PolarHBondContact O-N 2.86Å; K318-H320 VanDerWaalsContact C-N 3.34Å; K318-H320 PolarHBondContact O-N 2.92Å
321	S	34.9	Very low	42.3	Very low	92 Å²	92	128.4 Å²	128.4	64%	0.643	66%	0.656	S	S	*	*	H	α-helix	trans	-80.9	-26.8	178.2	78.7	0	0	0	0	113.8	E317 K318 D319	E317-S321 PolarHBondContact O-N 3.17Å; K318-S321 PolarHBondContact O-N 3.43Å; K318-S321 VanDerWaalsContact O-N 3.15Å; K318-S321 PolarHBondContact O-OG 3.49Å; D319-S321 PolarHBondContact O-N 2.65Å
322	E	36.7	Very low	44.3	Very low	161 Å²	161	124.8 Å²	124.8	75%	0.752	64%	0.637	S	S	*	*	H	α-helix	trans	-88	-20.1	175.9	-80.8	-165.7	154.3	0	0	113.8	K318 D319	K318-E322 PolarHBondContact O-N 2.75Å; D319-E322 PolarHBondContact O-N 3.17Å
323	A	40.8	Very low	46.4	Very low	74 Å²	74	123.9 Å²	123.9	61%	0.612	63%	0.631	S	S	*	*	S	Bend	trans	-82	-5.8	-177.3	0	0	0	0	0	115.8	D319 K325	D319-A323 WeakPolarHBondContact O-CB 3.3Å; D319-A323 PolarHBondContact O-N 3.27Å; A323-K325 PolarHBondContact O-N 3.42Å
324	M	35.3	Very low	48.7	Very low	169 Å²	169	118 Å²	118	83%	0.833	61%	0.606	S	S	*	*			trans	-95.7	45.7	178.3	-75	-171.9	94.6	0	0	113.6
325	K	32.4	Very low	51.1	Low	175 Å²	175	114.1 Å²	114.1	76%	0.761	59%	0.586	S	S	*	*	S	Bend	trans	-92.6	123.3	154.6	-77.3	-178.6	-178.2	172.2	0	107.7	A323 E327	A323-K325 PolarHBondContact O-N 3.42Å; K325-E327 PolarHBondContact O-N 2.87Å
326	P	34.1	Very low	53.4	Low	123 Å²	123	110.9 Å²	110.9	80%	0.799	57%	0.571	S	S	*	*			trans	-58.1	115.3	171.1	23.3	-29.4	0	0	0	107.3	E328	P326-E328 PolarHBondContact O-N 3.33Å
327	E	38.7	Very low	55.9	Low	161 Å²	161	109.5 Å²	109.5	75%	0.752	56%	0.563	S	S	*	*			trans	-59.2	115.5	169.6	-74.5	-164.4	132.6	0	0	106.8	R271 K325	R271-E327 IonicContact NH1-OE1 2.7Å; K325-E327 PolarHBondContact O-N 2.87Å
328	E	41	Very low	58.5	Low	173 Å²	173	102 Å²	102	81%	0.808	53%	0.529	S	S	*	.			trans	-53.6	136.9	170.2	-72.4	179.9	163.4	0	0	108.2	P326	P326-E328 PolarHBondContact O-N 3.33Å
329	P	47.7	Very low	61.1	Low	113 Å²	113	98.3 Å²	98.3	73%	0.734	52%	0.515	S	S	*	.			trans	-54.3	137.3	179.9	22.1	-31.9	0	0	0	109	Q331	P329-Q331 PolarHBondContact O-N 3.33Å
330	P	58.5	Low	63.7	Low	94 Å²	94	100.2 Å²	100.2	61%	0.61	52%	0.517	S	S	*	.			trans	-54.6	114.4	-174.4	19.5	-30.9	0	0	0	110.1	N332	P330-N332 PolarHBondContact O-N 2.92Å
331	Q	71.9	Confident	66.3	Low	125 Å²	125	95.5 Å²	95.5	58%	0.584	50%	0.497	S	S	*	.			trans	-67.9	121	-175.4	-166	176.1	22.1	0	0	109.9	P329 L333 E336	P329-Q331 PolarHBondContact O-N 3.33Å; Q331-L333 VanDerWaalsContact C-N 3.34Å; Q331-L333 HydrophobicContact CB-CD2 4.47Å; Q331-L333 HydrophobicContact CG-CD2 4.19Å; Q331-L333 PolarHBondContact O-N 3.32Å; Q331-E336 VanDerWaalsContact CD-OE1 3.26Å; Q331-E336 WeakPolarHBondContact CG-OE1 3.43Å; Q331-E336 PolarHBondContact NE2-OE1 3.04Å; Q331-E336 PolarHBondContact NE2-OE2 3.44Å; Q331-E336 VanDerWaalsContact NE2-OE2 3.12Å
332	N	85.1	Confident	69.2	Low	30 Å²	30	97.4 Å²	97.4	16%	0.16	51%	0.507	C	S	.	.			trans	-78.7	83.7	177.1	-170.5	-33.9	0	0	0	110.6	D136 P330 L334 R335 E336	D136-N332 PolarHBondContact OD2-ND2 3.07Å; P330-N332 PolarHBondContact O-N 2.92Å; N332-L334 VanDerWaalsContact C-N 3.26Å; N332-L334 PolarHBondContact O-N 3.48Å; N332-R335 HydrophobicContact CB-CB 4.08Å; N332-R335 WeakPolarHBondContact O-CB 3.12Å; N332-R335 PolarHBondContact O-N 2.87Å; N332-R335 VanDerWaalsContact O-N 3.15Å; N332-R335 WeakPolarHBondContact OD1-CB 3.35Å; N332-R335 PolarHBondContact OD1-N 2.75Å; N332-R335 VanDerWaalsContact OD1-N 3.07Å; N332-E336 PolarHBondContact O-N 2.66Å; N332-E336 VanDerWaalsContact O-N 3.09Å
333	L	89.9	Confident	72	Confident	63 Å²	63	92.6 Å²	92.6	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-57.2	-35.9	-175.1	-61.2	177.9	0	0	0	113.4	I259 M263 Q331 E336 K337	I259-L333 HydrophobicContact CD1-CB 4.05Å; I259-L333 HydrophobicContact CG1-CB 4.46Å; I259-L333 HydrophobicContact CG2-CB 4.13Å; I259-L333 HydrophobicContact CG2-CD1 3.79Å; M263-L333 HydrophobicContact SD-CD1 4.19Å; Q331-L333 VanDerWaalsContact C-N 3.34Å; Q331-L333 HydrophobicContact CB-CD2 4.47Å; Q331-L333 HydrophobicContact CG-CD2 4.19Å; Q331-L333 PolarHBondContact O-N 3.32Å; L333-E336 PolarHBondContact O-N 3.41Å; L333-K337 VanDerWaalsContact O-CG 3.26Å; L333-K337 WeakPolarHBondContact O-CG 3.36Å; L333-K337 PolarHBondContact O-N 3.5Å
334	L	92.1	Very high	74.6	Confident	6 Å²	6	92.9 Å²	92.9	3%	0.031	48%	0.481	C	S	.	.	H	α-helix	trans	-64.9	-47.1	178.6	-179.7	59.8	0	0	0	110.8	D136 L255 R256 I259 N332 E336 K337 I338	D136-L334 HydrophobicContact CB-CB 4.28Å; D136-L334 HydrophobicContact CB-CD2 3.98Å; D136-L334 WeakPolarHBondContact O-CD2 3.49Å; L255-L334 HydrophobicContact CB-CD1 3.53Å; L255-L334 HydrophobicContact CD1-CD1 4.06Å; L255-L334 HydrophobicContact CG-CD1 4.47Å; R256-L334 HydrophobicContact CG-CD1 4.11Å; R256-L334 HydrophobicContact CG-CD2 4.09Å; I259-L334 HydrophobicContact CD1-CB 4.17Å; I259-L334 HydrophobicContact CD1-CD1 4.3Å; N332-L334 VanDerWaalsContact C-N 3.26Å; N332-L334 PolarHBondContact O-N 3.48Å; L334-E336 VanDerWaalsContact C-N 3.35Å; L334-E336 PolarHBondContact O-N 3.42Å; L334-K337 PolarHBondContact O-N 3.41Å; L334-I338 HydrophobicContact CD1-CD1 4.24Å; L334-I338 HydrophobicContact CD1-CG1 4.48Å; L334-I338 HydrophobicContact CG-CD1 3.97Å; L334-I338 VanDerWaalsContact O-CG1 3.3Å; L334-I338 WeakPolarHBondContact O-CG1 3.32Å; L334-I338 PolarHBondContact O-N 3.15Å
335	R	91.2	Very high	77.4	Confident	45 Å²	45	90.2 Å²	90.2	17%	0.17	47%	0.467	C	S	.	.	H	α-helix	trans	-59.7	-45.9	177.2	-175.4	175.7	-178.8	85.1	-6	111.2	N332 K337 I338 M339 T352 R355 D356 K357	N332-R335 HydrophobicContact CB-CB 4.08Å; N332-R335 WeakPolarHBondContact O-CB 3.12Å; N332-R335 PolarHBondContact O-N 2.87Å; N332-R335 VanDerWaalsContact O-N 3.15Å; N332-R335 WeakPolarHBondContact OD1-CB 3.35Å; N332-R335 PolarHBondContact OD1-N 2.75Å; N332-R335 VanDerWaalsContact OD1-N 3.07Å; R335-K337 VanDerWaalsContact C-N 3.34Å; R335-K337 PolarHBondContact O-N 3.3Å; R335-I338 WeakPolarHBondContact O-CB 3.32Å; R335-I338 PolarHBondContact O-N 3.07Å; R335-I338 VanDerWaalsContact O-N 3.14Å; R335-M339 HydrophobicContact CG-CG 4.39Å; R335-M339 WeakPolarHBondContact O-CG 3.26Å; R335-M339 PolarHBondContact O-N 3.15Å; R335-T352 HydrophobicContact CG-CG2 4.18Å; R335-R355 PolarHBondContact NH1-O 3.07Å; R335-R355 PolarHBondContact NH2-O 3.24Å; R335-D356 PolarHBondContact NH2-O 3.12Å; R335-K357 PolarHBondContact NE-O 2.89Å; R335-K357 PolarHBondContact NH2-O 3.12Å
336	E	92.2	Very high	80.4	Confident	65 Å²	65	85.8 Å²	85.8	30%	0.304	46%	0.458	S	S	.	.	H	α-helix	trans	-60.2	-43	177.7	-67.6	-167.9	168.8	0	0	113.2	Q331 N332 L333 L334 I338 M339 K340	Q331-E336 VanDerWaalsContact CD-OE1 3.26Å; Q331-E336 WeakPolarHBondContact CG-OE1 3.43Å; Q331-E336 PolarHBondContact NE2-OE1 3.04Å; Q331-E336 PolarHBondContact NE2-OE2 3.44Å; Q331-E336 VanDerWaalsContact NE2-OE2 3.12Å; N332-E336 PolarHBondContact O-N 2.66Å; N332-E336 VanDerWaalsContact O-N 3.09Å; L333-E336 PolarHBondContact O-N 3.41Å; L334-E336 VanDerWaalsContact C-N 3.35Å; L334-E336 PolarHBondContact O-N 3.42Å; E336-I338 VanDerWaalsContact C-N 3.32Å; E336-I338 PolarHBondContact O-N 3.23Å; E336-M339 PolarHBondContact O-N 2.95Å; E336-K340 WeakPolarHBondContact O-CG 3.42Å; E336-K340 PolarHBondContact O-N 3Å; E336-K340 VanDerWaalsContact O-N 3.09Å
337	K	93.6	Very high	83.2	Confident	61 Å²	61	83.7 Å²	83.7	27%	0.265	44%	0.44	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.6	-70.2	-78.1	-174.3	172.9	0	110.4	L255 I259 E262 L333 L334 R335 K340 L341	L255-K337 HydrophobicContact CD2-CB 4.44Å; I259-K337 HydrophobicContact CD1-CG 4.04Å; I259-K337 HydrophobicContact CG1-CG 4.03Å; E262-K337 IonicContact OE1-NZ 3.56Å; E262-K337 PolarHBondContact OE1-NZ 3.17Å; E262-K337 IonicContact OE2-NZ 3.44Å; E262-K337 PolarHBondContact OE2-NZ 2.73Å; L333-K337 VanDerWaalsContact O-CG 3.26Å; L333-K337 WeakPolarHBondContact O-CG 3.36Å; L333-K337 PolarHBondContact O-N 3.5Å; L334-K337 PolarHBondContact O-N 3.41Å; R335-K337 VanDerWaalsContact C-N 3.34Å; R335-K337 PolarHBondContact O-N 3.3Å; K337-K340 PolarHBondContact O-N 3.17Å; K337-L341 WeakPolarHBondContact O-CG 3.49Å; K337-L341 PolarHBondContact O-N 3.03Å
338	I	94.5	Very high	85.9	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-60.5	-46.6	175.4	-68.1	164.2	0	0	0	111	L255 L334 R335 E336 K340 L341 K348 L351 T352	L255-I338 HydrophobicContact CD1-CD1 4.5Å; L255-I338 HydrophobicContact CD1-CG1 3.55Å; L334-I338 HydrophobicContact CD1-CD1 4.24Å; L334-I338 HydrophobicContact CD1-CG1 4.48Å; L334-I338 HydrophobicContact CG-CD1 3.97Å; L334-I338 VanDerWaalsContact O-CG1 3.3Å; L334-I338 WeakPolarHBondContact O-CG1 3.32Å; L334-I338 PolarHBondContact O-N 3.15Å; R335-I338 WeakPolarHBondContact O-CB 3.32Å; R335-I338 PolarHBondContact O-N 3.07Å; R335-I338 VanDerWaalsContact O-N 3.14Å; E336-I338 VanDerWaalsContact C-N 3.32Å; E336-I338 PolarHBondContact O-N 3.23Å; I338-K340 PolarHBondContact O-N 2.99Å; I338-L341 WeakPolarHBondContact O-CB 3.34Å; I338-L341 PolarHBondContact O-N 2.94Å; I338-L341 VanDerWaalsContact O-N 3.08Å; I338-K348 HydrophobicContact CG2-CB 4.28Å; I338-K348 HydrophobicContact CG2-CG 4.39Å; I338-L351 HydrophobicContact CD1-CB 4.02Å; I338-L351 HydrophobicContact CG1-CB 4.33Å; I338-L351 HydrophobicContact CG2-CB 3.8Å; I338-L351 HydrophobicContact CG2-CD1 4.06Å; I338-T352 HydrophobicContact CB-CG2 4.42Å; I338-T352 HydrophobicContact CD1-CG2 4.06Å; I338-T352 HydrophobicContact CG2-CG2 3.98Å
339	M	93.8	Very high	88.5	Confident	72 Å²	72	70.5 Å²	70.5	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-65.9	-27.4	-177.5	-66	-51.1	-74.4	0	0	113.1	R335 E336 L341 K348	R335-M339 HydrophobicContact CG-CG 4.39Å; R335-M339 WeakPolarHBondContact O-CG 3.26Å; R335-M339 PolarHBondContact O-N 3.15Å; E336-M339 PolarHBondContact O-N 2.95Å; M339-L341 VanDerWaalsContact C-N 3.34Å; M339-K348 HydrophobicContact CE-CD 4.28Å; M339-K348 WeakPolarHBondContact O-CE 3.09Å; M339-K348 PolarHBondContact O-NZ 3.44Å; M339-K348 HydrophobicContact SD-CB 4.12Å; M339-K348 HydrophobicContact SD-CD 4.09Å
340	K	94.3	Very high	90.7	Very high	156 Å²	156	66.5 Å²	66.5	68%	0.678	35%	0.353	S	S	*	.	H	α-helix	trans	-78	-13.1	175	-71.6	170.2	-176.7	168.6	0	113.9	E336 K337 I338	E336-K340 WeakPolarHBondContact O-CG 3.42Å; E336-K340 PolarHBondContact O-N 3Å; E336-K340 VanDerWaalsContact O-N 3.09Å; K337-K340 PolarHBondContact O-N 3.17Å; I338-K340 PolarHBondContact O-N 2.99Å
341	L	93.8	Very high	92.4	Very high	47 Å²	47	62.2 Å²	62.2	25%	0.246	33%	0.325	C	S	.	.	S	Bend	trans	-67.1	143.8	178	-65.1	175.4	0	0	0	111	L255 K337 I338 M339 L343 K348 L351	L255-L341 HydrophobicContact CD1-CD1 4.2Å; K337-L341 WeakPolarHBondContact O-CG 3.49Å; K337-L341 PolarHBondContact O-N 3.03Å; I338-L341 WeakPolarHBondContact O-CB 3.34Å; I338-L341 PolarHBondContact O-N 2.94Å; I338-L341 VanDerWaalsContact O-N 3.08Å; M339-L341 VanDerWaalsContact C-N 3.34Å; L341-L343 HydrophobicContact CB-CB 4.49Å; L341-L343 HydrophobicContact CB-CD1 3.92Å; L341-L343 HydrophobicContact CB-CG 3.9Å; L341-L343 HydrophobicContact CD1-CD1 3.75Å; L341-L343 HydrophobicContact CG-CD1 4.49Å; L341-L343 PolarHBondContact O-N 2.91Å; L341-K348 WeakPolarHBondContact O-CE 3.4Å; L341-K348 PolarHBondContact O-NZ 3.05Å; L341-L351 HydrophobicContact CD1-CD1 4.37Å
342	P	95.6	Very high	93.4	Very high	133 Å²	133	56.7 Å²	56.7	86%	0.864	30%	0.299	S	S	*	.	S	Bend	trans	-77.5	55.8	175.6	34.8	-36.7	0	0	0	111
343	L	94.8	Very high	93.8	Very high	60 Å²	60	58.3 Å²	58.3	31%	0.314	30%	0.303	S	S	.	.			trans	-112.2	151.3	-179.4	-64.2	176.1	0	0	0	111	L341 L347 K348 L351	L341-L343 HydrophobicContact CB-CB 4.49Å; L341-L343 HydrophobicContact CB-CD1 3.92Å; L341-L343 HydrophobicContact CB-CG 3.9Å; L341-L343 HydrophobicContact CD1-CD1 3.75Å; L341-L343 HydrophobicContact CG-CD1 4.49Å; L341-L343 PolarHBondContact O-N 2.91Å; L343-L347 HydrophobicContact CB-CB 4.36Å; L343-L347 HydrophobicContact CD2-CD1 4.45Å; L343-K348 HydrophobicContact CB-CG 4.29Å; L343-K348 VanDerWaalsContact O-CE 3.22Å; L343-K348 WeakPolarHBondContact O-CE 3.44Å; L343-L351 HydrophobicContact CD1-CD1 3.77Å
344	P	96.3	Very high	93.8	Very high	79 Å²	79	61.5 Å²	61.5	51%	0.513	32%	0.315	S	S	.	.			trans	-55.5	151.2	167.3	-24	33.3	0	0	0	112.7	S346 L347 K348	P344-S346 VanDerWaalsContact C-N 3.28Å; P344-S346 PolarHBondContact O-N 3.39Å; P344-L347 PolarHBondContact O-N 2.56Å; P344-K348 PolarHBondContact O-N 3.24Å; P344-K348 VanDerWaalsContact O-N 3.14Å
345	E	94.4	Very high	93.7	Very high	113 Å²	113	61.8 Å²	61.8	53%	0.528	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-36.1	-176	-164.1	55.5	-142.6	0	0	112.9	L347 K348 A349	E345-L347 VanDerWaalsContact C-N 3.28Å; E345-L347 PolarHBondContact O-N 3.11Å; E345-K348 PolarHBondContact O-N 3.18Å; E345-K348 VanDerWaalsContact O-N 3.16Å; E345-A349 WeakPolarHBondContact O-CB 3.33Å; E345-A349 PolarHBondContact O-N 3.31Å
346	S	94.4	Very high	92.7	Very high	83 Å²	83	66.8 Å²	66.8	58%	0.58	35%	0.346	S	S	*	.	H	α-helix	trans	-61.1	-35.4	176	56.2	0	0	0	0	112.9	P344 Y350	P344-S346 VanDerWaalsContact C-N 3.28Å; P344-S346 PolarHBondContact O-N 3.39Å; S346-Y350 VanDerWaalsContact O-CB 3.31Å; S346-Y350 WeakPolarHBondContact O-CB 3.42Å; S346-Y350 PolarHBondContact O-N 3.01Å
347	L	94.5	Very high	91.3	Very high	79 Å²	79	70.3 Å²	70.3	41%	0.414	36%	0.36	S	S	.	.	H	α-helix	trans	-76	-35.7	175.4	-68	-173.1	0	0	0	111.8	L343 P344 E345 Y350 L351	L343-L347 HydrophobicContact CB-CB 4.36Å; L343-L347 HydrophobicContact CD2-CD1 4.45Å; P344-L347 PolarHBondContact O-N 2.56Å; E345-L347 VanDerWaalsContact C-N 3.28Å; E345-L347 PolarHBondContact O-N 3.11Å; L347-Y350 PolarHBondContact O-N 2.92Å; L347-L351 WeakPolarHBondContact O-CB 3.42Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.41Å; L347-L351 PolarHBondContact O-N 3.18Å
348	K	95.4	Very high	91.2	Very high	31 Å²	31	70.8 Å²	70.8	14%	0.135	37%	0.365	C	S	.	.	H	α-helix	trans	-62.2	-48.8	172.8	-67.8	178.5	178.7	179.5	0	110.9	I338 M339 L341 L343 P344 E345 Y350 L351 T352	I338-K348 HydrophobicContact CG2-CB 4.28Å; I338-K348 HydrophobicContact CG2-CG 4.39Å; M339-K348 HydrophobicContact CE-CD 4.28Å; M339-K348 WeakPolarHBondContact O-CE 3.09Å; M339-K348 PolarHBondContact O-NZ 3.44Å; M339-K348 HydrophobicContact SD-CB 4.12Å; M339-K348 HydrophobicContact SD-CD 4.09Å; L341-K348 WeakPolarHBondContact O-CE 3.4Å; L341-K348 PolarHBondContact O-NZ 3.05Å; L343-K348 HydrophobicContact CB-CG 4.29Å; L343-K348 VanDerWaalsContact O-CE 3.22Å; L343-K348 WeakPolarHBondContact O-CE 3.44Å; P344-K348 PolarHBondContact O-N 3.24Å; P344-K348 VanDerWaalsContact O-N 3.14Å; E345-K348 PolarHBondContact O-N 3.18Å; E345-K348 VanDerWaalsContact O-N 3.16Å; K348-Y350 VanDerWaalsContact C-N 3.3Å; K348-Y350 PolarHBondContact O-N 2.72Å; K348-L351 PolarHBondContact O-N 3.35Å; K348-L351 VanDerWaalsContact O-N 3.08Å; K348-T352 WeakPolarHBondContact O-CG2 3.32Å; K348-T352 PolarHBondContact O-N 3.38Å; K348-T352 PolarHBondContact O-OG1 3.32Å
349	A	94.1	Very high	91	Very high	25 Å²	25	74.5 Å²	74.5	21%	0.207	38%	0.384	C	S	.	.	H	α-helix	trans	-57.3	-43.6	173.9	0	0	0	0	0	111.4	E345 L351 T352 Y353 F354	E345-A349 WeakPolarHBondContact O-CB 3.33Å; E345-A349 PolarHBondContact O-N 3.31Å; A349-L351 PolarHBondContact O-N 3Å; A349-T352 WeakPolarHBondContact CA-OG1 3.35Å; A349-T352 PolarHBondContact O-N 3.02Å; A349-T352 PolarHBondContact O-OG1 3.15Å; A349-T352 VanDerWaalsContact O-OG1 3.09Å; A349-Y353 PolarHBondContact O-N 3.12Å; A349-F354 HydrophobicContact CB-CD1 3.77Å; A349-F354 HydrophobicContact CB-CE1 4.07Å; A349-F354 WeakPolarHBondContact O-CA 3.24Å; A349-F354 PolarHBondContact O-N 3.48Å
350	Y	94.7	Very high	90.9	Very high	30 Å²	30	74.6 Å²	74.6	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-61.4	-40.9	174.9	-176.9	-100.5	0	0	0	112.6	Q244 D245 R248 S346 L347 K348 T352 Y353 F354	Q244-Y350 HydrophobicContact CG-CE1 3.84Å; Q244-Y350 HydrophobicContact CG-CE2 4.18Å; Q244-Y350 WeakPolarHBondContact CG-OH 3.41Å; Q244-Y350 PolarHBondContact O-OH 3.07Å; D245-Y350 WeakPolarHBondContact CA-OH 3.47Å; D245-Y350 PolarHBondContact N-OH 3.22Å; R248-Y350 HydrophobicContact CB-CD1 4.38Å; R248-Y350 HydrophobicContact CB-CE1 3.67Å; R248-Y350 HydrophobicContact CG-CD1 4.42Å; R248-Y350 HydrophobicContact CG-CE1 4.1Å; R248-Y350 PolarHBondContact NE-O 2.95Å; R248-Y350 PolarHBondContact NH2-O 3.37Å; S346-Y350 VanDerWaalsContact O-CB 3.31Å; S346-Y350 WeakPolarHBondContact O-CB 3.42Å; S346-Y350 PolarHBondContact O-N 3.01Å; L347-Y350 PolarHBondContact O-N 2.92Å; K348-Y350 VanDerWaalsContact C-N 3.3Å; K348-Y350 PolarHBondContact O-N 2.72Å; Y350-T352 VanDerWaalsContact C-N 3.31Å; Y350-T352 PolarHBondContact O-N 3.32Å; Y350-Y353 PolarHBondContact O-N 2.8Å; Y350-F354 HydrophobicContact CD2-CE2 4.15Å; Y350-F354 AromaticContact CD2-CZ 3.96Å; Y350-F354 HydrophobicContact CD2-CZ 3.96Å
351	L	94.7	Very high	90.7	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-71	-23.8	178.2	-71.5	173.3	0	0	0	113.4	R248 I251 R252 I338 L341 L343 L347 K348 A349	R248-L351 HydrophobicContact CG-CD2 4.16Å; I251-L351 HydrophobicContact CB-CD2 3.94Å; I251-L351 HydrophobicContact CD1-CD2 4.05Å; I251-L351 HydrophobicContact CG2-CD1 4.02Å; I251-L351 HydrophobicContact CG2-CD2 3.75Å; R252-L351 WeakPolarHBondContact CD-O 3.35Å; R252-L351 PolarHBondContact NH1-O 3.02Å; I338-L351 HydrophobicContact CD1-CB 4.02Å; I338-L351 HydrophobicContact CG1-CB 4.33Å; I338-L351 HydrophobicContact CG2-CB 3.8Å; I338-L351 HydrophobicContact CG2-CD1 4.06Å; L341-L351 HydrophobicContact CD1-CD1 4.37Å; L343-L351 HydrophobicContact CD1-CD1 3.77Å; L347-L351 WeakPolarHBondContact O-CB 3.42Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.41Å; L347-L351 PolarHBondContact O-N 3.18Å; K348-L351 PolarHBondContact O-N 3.35Å; K348-L351 VanDerWaalsContact O-N 3.08Å; A349-L351 PolarHBondContact O-N 3Å
352	T	92.8	Very high	90.5	Very high	8 Å²	8	71.3 Å²	71.3	5%	0.049	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	11.5	176.8	60.1	0	0	0	0	113.4	R335 I338 K348 A349 Y350 F354 R355	R335-T352 HydrophobicContact CG-CG2 4.18Å; I338-T352 HydrophobicContact CB-CG2 4.42Å; I338-T352 HydrophobicContact CD1-CG2 4.06Å; I338-T352 HydrophobicContact CG2-CG2 3.98Å; K348-T352 WeakPolarHBondContact O-CG2 3.32Å; K348-T352 PolarHBondContact O-N 3.38Å; K348-T352 PolarHBondContact O-OG1 3.32Å; A349-T352 WeakPolarHBondContact CA-OG1 3.35Å; A349-T352 PolarHBondContact O-N 3.02Å; A349-T352 PolarHBondContact O-OG1 3.15Å; A349-T352 VanDerWaalsContact O-OG1 3.09Å; Y350-T352 VanDerWaalsContact C-N 3.31Å; Y350-T352 PolarHBondContact O-N 3.32Å; T352-F354 PolarHBondContact O-N 3.36Å; T352-R355 WeakPolarHBondContact O-CB 3.27Å; T352-R355 WeakPolarHBondContact O-CD 3.37Å; T352-R355 WeakPolarHBondContact O-CG 3.36Å; T352-R355 PolarHBondContact O-N 3.11Å
353	Y	92.4	Very high	90.1	Very high	64 Å²	64	67.1 Å²	67.1	25%	0.251	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	33.3	-175.5	-70.8	-103.9	0	0	0	113	F135 A349 Y350 R355	F135-Y353 HydrophobicContact CE1-CD1 4.2Å; F135-Y353 AromaticContact CE1-CD2 3.52Å; F135-Y353 HydrophobicContact CE1-CD2 3.52Å; F135-Y353 HydrophobicContact CE1-CE1 4.41Å; F135-Y353 AromaticContact CE1-CE2 3.75Å; F135-Y353 HydrophobicContact CE1-CE2 3.75Å; F135-Y353 AromaticContact CE1-CG 3.75Å; F135-Y353 HydrophobicContact CE1-CG 3.75Å; F135-Y353 AromaticContact CZ-CD1 3.91Å; F135-Y353 HydrophobicContact CZ-CD1 3.91Å; F135-Y353 AromaticContact CZ-CD2 3.92Å; F135-Y353 HydrophobicContact CZ-CD2 3.92Å; F135-Y353 AromaticContact CZ-CE1 3.83Å; F135-Y353 HydrophobicContact CZ-CE1 3.83Å; F135-Y353 AromaticContact CZ-CE2 3.83Å; F135-Y353 HydrophobicContact CZ-CE2 3.83Å; F135-Y353 AromaticContact CZ-CG 3.95Å; F135-Y353 HydrophobicContact CZ-CG 3.95Å; F135-Y353 AromaticContact CZ-CZ 3.78Å; A349-Y353 PolarHBondContact O-N 3.12Å; Y350-Y353 PolarHBondContact O-N 2.8Å; Y353-R355 PolarHBondContact O-N 3.18Å
354	F	91.1	Very high	89.8	Confident	130 Å²	130	67.6 Å²	67.6	57%	0.57	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	30.5	-179.8	-52.5	-82.5	0	0	0	113.4	A349 Y350 T352	A349-F354 HydrophobicContact CB-CD1 3.77Å; A349-F354 HydrophobicContact CB-CE1 4.07Å; A349-F354 WeakPolarHBondContact O-CA 3.24Å; A349-F354 PolarHBondContact O-N 3.48Å; Y350-F354 HydrophobicContact CD2-CE2 4.15Å; Y350-F354 AromaticContact CD2-CZ 3.96Å; Y350-F354 HydrophobicContact CD2-CZ 3.96Å; T352-F354 PolarHBondContact O-N 3.36Å
355	R	89.2	Confident	89.3	Confident	13 Å²	13	66.8 Å²	66.8	5%	0.049	33%	0.333	C	S	.	.			trans	-85.4	137.3	177.1	-65.8	167.2	65	-162.3	8.4	110.1	I129 K130 S132 D136 R335 T352 Y353	I129-R355 WeakPolarHBondContact O-CD 3.48Å; I129-R355 VanDerWaalsContact O-CZ 3.27Å; I129-R355 PolarHBondContact O-NE 3.05Å; K130-R355 VanDerWaalsContact O-CZ 3.29Å; K130-R355 PolarHBondContact O-NE 3.37Å; K130-R355 PolarHBondContact O-NH2 3.3Å; S132-R355 PolarHBondContact O-NH2 3.5Å; D136-R355 IonicContact OD1-NH1 2.98Å; D136-R355 IonicContact OD2-CZ 3.03Å; D136-R355 IonicContact OD2-NH1 3.75Å; D136-R355 PolarHBondContact OD2-NH1 3.38Å; R335-R355 PolarHBondContact NH1-O 3.07Å; R335-R355 PolarHBondContact NH2-O 3.24Å; T352-R355 WeakPolarHBondContact O-CB 3.27Å; T352-R355 WeakPolarHBondContact O-CD 3.37Å; T352-R355 WeakPolarHBondContact O-CG 3.36Å; T352-R355 PolarHBondContact O-N 3.11Å; Y353-R355 PolarHBondContact O-N 3.18Å
356	D	70.8	Confident	88.9	Confident	150 Å²	150	62.9 Å²	62.9	80%	0.802	32%	0.316	S	S	*	.			trans	-88.9	-8.2	-174.6	-63.5	-41.1	0	0	0	115.2	R335	R335-D356 PolarHBondContact NH2-O 3.12Å
357	K	62.3	Low	88.4	Confident	138 Å²	138	61.1 Å²	61.1	60%	0.6	29%	0.292	S	S	*	.			trans	-44.5	0	-170.6	-78.6	-163.2	175.4	-162.1	0	116.9	N131 D133 R335	N131-K357 VanDerWaalsContact O-CE 3.28Å; N131-K357 WeakPolarHBondContact O-CE 3.43Å; N131-K357 PolarHBondContact O-NZ 2.91Å; D133-K357 IonicContact OD1-NZ 3.65Å; D133-K357 PolarHBondContact OD1-NZ 3.43Å; R335-K357 PolarHBondContact NE-O 2.89Å; R335-K357 PolarHBondContact NH2-O 3.12Å

Retrieved 357 of 357 residues in 106 ms (Link to these results)

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