A0A2K6U4H5_SAIBB Loading...

F-actin-capping protein subunit alpha

F-actin-capping proteins bind in a Ca(2+)-independent manner to the fast growing ends of actin filaments (barbed end) thereby blocking the exchange of subunits at these ends. Unlike other capping proteins (such as gelsolin and severin), these proteins do not sever actin filaments. May play a role in the formation of epithelial cell junctions. Forms, with CAPZB, the barbed end of the fast growing ends of actin filaments in the dynactin complex and stabilizes dynactin structure. The dynactin multiprotein complex activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB , UniProt , Accession A0A2K6U4H5, Species SAIBB (Saimiri boliviensis boliviensis, Bolivian squirrel monkey), Gene CAPZA1, Length 286 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	43.1	Very low	67.8	Low	243 Å²	243	141.3 Å²	141.3	100%	1.197	73%	0.731	S	S	*	*				0	106.2	0	-84	166.8	164.2	0	0	105.5
2	A	45.8	Very low	69.9	Low	90 Å²	90	134.3 Å²	134.3	74%	0.744	69%	0.692	S	S	*	*			trans	-72.8	126.9	175	0	0	0	0	0	107.5	F4	A2-F4 PolarHBondContact O-N 3.02Å
3	D	45.6	Very low	71.7	Confident	155 Å²	155	129.8 Å²	129.8	83%	0.829	67%	0.665	S	S	*	*			trans	-56.6	120.1	176.8	-88.8	-39.4	0	0	0	110	D5	D3-D5 PolarHBondContact O-N 2.79Å; D3-D5 VanDerWaalsContact O-N 3.15Å
4	F	55.4	Low	73.2	Confident	167 Å²	167	121.9 Å²	121.9	73%	0.732	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	31.7	174.3	-89.7	-87.6	0	0	0	111.7	A2 R7	A2-F4 PolarHBondContact O-N 3.02Å; F4-R7 WeakPolarHBondContact O-CG 3.36Å; F4-R7 PolarHBondContact O-NE 2.61Å
5	D	54.1	Low	74.6	Confident	148 Å²	148	124.7 Å²	124.7	79%	0.791	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-5.7	-170.5	-138.3	20.9	0	0	0	114	D3 R7	D3-D5 PolarHBondContact O-N 2.79Å; D3-D5 VanDerWaalsContact O-N 3.15Å; D5-R7 PolarHBondContact O-N 2.86Å
6	D	56.8	Low	75.8	Confident	168 Å²	168	121.2 Å²	121.2	90%	0.898	61%	0.608	S	S	*	*			trans	-97.2	63.4	165.3	-87.2	-28.4	0	0	0	110.4
7	R	80.6	Confident	76.9	Confident	198 Å²	198	114.4 Å²	114.4	75%	0.747	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-79.4	124.2	171.7	-67.5	-176.7	-175.9	-163.9	-2.7	109.3	F4 D5 S9	F4-R7 WeakPolarHBondContact O-CG 3.36Å; F4-R7 PolarHBondContact O-NE 2.61Å; D5-R7 PolarHBondContact O-N 2.86Å; R7-S9 PolarHBondContact O-N 3.42Å
8	V	88.9	Confident	77.9	Confident	74 Å²	74	108.4 Å²	108.4	45%	0.448	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-50.9	129.4	171.4	-176	0	0	0	0	109.5	E12 K13	V8-E12 HydrophobicContact CG1-CB 3.55Å; V8-E12 HydrophobicContact CG1-CG 3.35Å; V8-K13 HydrophobicContact CB-CG 4.36Å; V8-K13 HydrophobicContact CG1-CG 3.96Å; V8-K13 WeakPolarHBondContact O-CE 3.44Å
9	S	92.7	Very high	78.8	Confident	63 Å²	63	109.7 Å²	109.7	44%	0.441	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-64.9	158.7	179.1	68.7	0	0	0	0	111.4	R7 E11 E12 K13	R7-S9 PolarHBondContact O-N 3.42Å; S9-E11 VanDerWaalsContact C-N 3.27Å; S9-E11 PolarHBondContact O-N 2.72Å; S9-E12 PolarHBondContact O-N 3.06Å; S9-E12 VanDerWaalsContact O-N 3.16Å; S9-E12 WeakPolarHBondContact OG-CB 3.49Å; S9-E12 PolarHBondContact OG-N 2.95Å; S9-K13 WeakPolarHBondContact O-CG 3.2Å; S9-K13 PolarHBondContact O-N 2.83Å
10	D	91.4	Very high	79.7	Confident	82 Å²	82	109.9 Å²	109.9	44%	0.439	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-34.3	178.7	-73.5	-11.8	0	0	0	112.1	E12 K13 V14 L45	D10-E12 PolarHBondContact O-N 2.63Å; D10-K13 PolarHBondContact O-N 3.26Å; D10-K13 IonicContact OD1-NZ 3.73Å; D10-K13 PolarHBondContact OD1-NZ 3.38Å; D10-V14 VanDerWaalsContact O-CG2 3.32Å; D10-V14 WeakPolarHBondContact O-CG2 3.29Å; D10-V14 PolarHBondContact O-N 3.32Å; D10-L45 HydrophobicContact CB-CD1 4.21Å; D10-L45 HydrophobicContact CB-CD2 3.82Å
11	E	91.1	Very high	80.4	Confident	166 Å²	166	104.7 Å²	104.7	78%	0.776	52%	0.519	S	S	*	.	H	α-helix	trans	-59.5	-44.5	171.7	-65.2	175.9	179.6	0	0	111.9	S9 V14 R15	S9-E11 VanDerWaalsContact C-N 3.27Å; S9-E11 PolarHBondContact O-N 2.72Å; E11-V14 PolarHBondContact O-N 3Å; E11-R15 PolarHBondContact O-N 2.94Å
12	E	93.4	Very high	82.8	Confident	57 Å²	57	95 Å²	95	27%	0.266	47%	0.474	S	S	.	.	H	α-helix	trans	-71	-37.5	179.9	179.9	58	-158.8	0	0	111.7	V8 S9 D10 V14 R15 I16	V8-E12 HydrophobicContact CG1-CB 3.55Å; V8-E12 HydrophobicContact CG1-CG 3.35Å; S9-E12 PolarHBondContact O-N 3.06Å; S9-E12 VanDerWaalsContact O-N 3.16Å; S9-E12 WeakPolarHBondContact OG-CB 3.49Å; S9-E12 PolarHBondContact OG-N 2.95Å; D10-E12 PolarHBondContact O-N 2.63Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.45Å; E12-R15 WeakPolarHBondContact O-CB 3.44Å; E12-R15 PolarHBondContact O-N 2.95Å; E12-R15 IonicContact OE1-CZ 3.38Å; E12-R15 IonicContact OE1-NE 2.92Å; E12-R15 PolarHBondContact OE1-NE 3.08Å; E12-R15 IonicContact OE1-NH2 2.66Å; E12-R15 PolarHBondContact OE1-NH2 2.9Å; E12-R15 IonicContact OE2-CZ 3.11Å; E12-R15 IonicContact OE2-NE 2.89Å; E12-R15 PolarHBondContact OE2-NE 3.39Å; E12-R15 IonicContact OE2-NH2 3.01Å; E12-R15 PolarHBondContact OE2-NH2 3.42Å; E12-I16 HydrophobicContact CG-CD1 4.17Å; E12-I16 WeakPolarHBondContact O-CG1 3.49Å; E12-I16 PolarHBondContact O-N 2.91Å
13	K	93.4	Very high	85.2	Confident	77 Å²	77	96.9 Å²	96.9	34%	0.335	47%	0.467	S	S	.	.	H	α-helix	trans	-60.4	-43.6	172	-69.5	176.1	-162.5	149.8	0	111.6	V8 S9 D10 R15 I16 A17 L40	V8-K13 HydrophobicContact CB-CG 4.36Å; V8-K13 HydrophobicContact CG1-CG 3.96Å; V8-K13 WeakPolarHBondContact O-CE 3.44Å; S9-K13 WeakPolarHBondContact O-CG 3.2Å; S9-K13 PolarHBondContact O-N 2.83Å; D10-K13 PolarHBondContact O-N 3.26Å; D10-K13 IonicContact OD1-NZ 3.73Å; D10-K13 PolarHBondContact OD1-NZ 3.38Å; K13-R15 VanDerWaalsContact C-N 3.34Å; K13-I16 PolarHBondContact O-N 2.83Å; K13-A17 WeakPolarHBondContact O-CB 3.33Å; K13-A17 PolarHBondContact O-N 2.69Å; K13-L40 HydrophobicContact CB-CD1 3.72Å; K13-L40 HydrophobicContact CD-CD1 3.94Å; K13-L40 HydrophobicContact CG-CD1 4.33Å
14	V	92.9	Very high	87.7	Confident	19 Å²	19	89.6 Å²	89.6	12%	0.115	43%	0.428	C	S	.	.	H	α-helix	trans	-61.3	-44.5	175.8	165.8	0	0	0	0	110.7	D10 E11 E12 I16 A17 A18 L45 G49	D10-V14 VanDerWaalsContact O-CG2 3.32Å; D10-V14 WeakPolarHBondContact O-CG2 3.29Å; D10-V14 PolarHBondContact O-N 3.32Å; E11-V14 PolarHBondContact O-N 3Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.45Å; V14-I16 VanDerWaalsContact C-N 3.32Å; V14-I16 PolarHBondContact O-N 3.41Å; V14-A17 PolarHBondContact O-N 3.38Å; V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.47Å; V14-A18 PolarHBondContact O-N 3.48Å; V14-L45 HydrophobicContact CG2-CD1 3.49Å; V14-L45 VanDerWaalsContact CG2-CD1 3.49Å; V14-L45 HydrophobicContact CG2-CD2 4Å; V14-L45 HydrophobicContact CG2-CG 3.44Å; V14-L45 VanDerWaalsContact CG2-CG 3.44Å; V14-G49 VanDerWaalsContact CG1-C 3.46Å; V14-G49 VanDerWaalsContact CG1-CA 3.41Å; V14-G49 VanDerWaalsContact CG1-O 3.31Å; V14-G49 WeakPolarHBondContact CG1-O 3.39Å
15	R	93.7	Very high	89.6	Confident	164 Å²	164	82.2 Å²	82.2	62%	0.619	40%	0.397	S	S	*	.	H	α-helix	trans	-58.9	-43.6	177.3	-170.5	-179.9	73.5	140	1	111.9	E11 E12 K13 K19	E11-R15 PolarHBondContact O-N 2.94Å; E12-R15 WeakPolarHBondContact O-CB 3.44Å; E12-R15 PolarHBondContact O-N 2.95Å; E12-R15 IonicContact OE1-CZ 3.38Å; E12-R15 IonicContact OE1-NE 2.92Å; E12-R15 PolarHBondContact OE1-NE 3.08Å; E12-R15 IonicContact OE1-NH2 2.66Å; E12-R15 PolarHBondContact OE1-NH2 2.9Å; E12-R15 IonicContact OE2-CZ 3.11Å; E12-R15 IonicContact OE2-NE 2.89Å; E12-R15 PolarHBondContact OE2-NE 3.39Å; E12-R15 IonicContact OE2-NH2 3.01Å; E12-R15 PolarHBondContact OE2-NH2 3.42Å; K13-R15 VanDerWaalsContact C-N 3.34Å; R15-K19 WeakPolarHBondContact O-CB 3.44Å; R15-K19 PolarHBondContact O-N 3.36Å
16	I	94.4	Very high	91.5	Very high	68 Å²	68	75.2 Å²	75.2	35%	0.349	36%	0.36	S	S	.	.	H	α-helix	trans	-66.4	-45.3	176.8	-66.6	165.5	0	0	0	110.9	E12 K13 V14 K19 F20	E12-I16 HydrophobicContact CG-CD1 4.17Å; E12-I16 WeakPolarHBondContact O-CG1 3.49Å; E12-I16 PolarHBondContact O-N 2.91Å; K13-I16 PolarHBondContact O-N 2.83Å; V14-I16 VanDerWaalsContact C-N 3.32Å; V14-I16 PolarHBondContact O-N 3.41Å; I16-K19 WeakPolarHBondContact O-CB 3.35Å; I16-K19 PolarHBondContact O-N 3.03Å; I16-F20 HydrophobicContact CG2-CD2 4.04Å; I16-F20 HydrophobicContact CG2-CE2 3.55Å; I16-F20 HydrophobicContact CG2-CZ 4.05Å; I16-F20 PolarHBondContact O-N 3.11Å
17	A	94.6	Very high	93.3	Very high	5 Å²	5	68.6 Å²	68.6	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-48	177.2	0	0	0	0	0	111.6	K13 V14 K19 F20 I21 V36 L46	K13-A17 WeakPolarHBondContact O-CB 3.33Å; K13-A17 PolarHBondContact O-N 2.69Å; V14-A17 PolarHBondContact O-N 3.38Å; A17-K19 VanDerWaalsContact C-N 3.27Å; A17-K19 PolarHBondContact O-N 2.86Å; A17-F20 PolarHBondContact O-N 3.09Å; A17-I21 VanDerWaalsContact O-CG1 3.3Å; A17-I21 WeakPolarHBondContact O-CG1 3.3Å; A17-I21 PolarHBondContact O-N 3.28Å; A17-V36 HydrophobicContact CB-CG1 3.53Å; A17-L46 HydrophobicContact CB-CD1 4.05Å
18	A	93.9	Very high	94.1	Very high	7 Å²	7	60.3 Å²	60.3	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-40.7	175.3	0	0	0	0	0	111.6	V14 I21 T22 A53	V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.47Å; V14-A18 PolarHBondContact O-N 3.48Å; A18-I21 PolarHBondContact O-N 3.14Å; A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-N 3.21Å; A18-T22 PolarHBondContact O-OG1 3.45Å; A18-T22 VanDerWaalsContact O-OG1 3.13Å; A18-A53 HydrophobicContact CB-CB 3.95Å
19	K	95.7	Very high	94.3	Very high	133 Å²	133	57 Å²	57	58%	0.578	28%	0.281	S	S	*	.	H	α-helix	trans	-63	-43	176.1	-173	178.4	180	-179.5	0	112.4	R15 I16 A17 T22 H23	R15-K19 WeakPolarHBondContact O-CB 3.44Å; R15-K19 PolarHBondContact O-N 3.36Å; I16-K19 WeakPolarHBondContact O-CB 3.35Å; I16-K19 PolarHBondContact O-N 3.03Å; A17-K19 VanDerWaalsContact C-N 3.27Å; A17-K19 PolarHBondContact O-N 2.86Å; K19-T22 PolarHBondContact O-OG1 2.78Å; K19-T22 VanDerWaalsContact O-OG1 3.09Å; K19-H23 WeakPolarHBondContact O-CB 3.37Å; K19-H23 PolarHBondContact O-N 3.36Å; K19-H23 PolarHBondContact O-ND1 3.05Å
20	F	96.1	Very high	94.3	Very high	113 Å²	113	57.9 Å²	57.9	50%	0.496	28%	0.281	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175.9	-70.6	-40.3	0	0	0	111.9	I16 A17 T22 H23 A24 V36	I16-F20 HydrophobicContact CG2-CD2 4.04Å; I16-F20 HydrophobicContact CG2-CE2 3.55Å; I16-F20 HydrophobicContact CG2-CZ 4.05Å; I16-F20 PolarHBondContact O-N 3.11Å; A17-F20 PolarHBondContact O-N 3.09Å; F20-T22 PolarHBondContact O-N 2.95Å; F20-H23 PolarHBondContact O-N 3.44Å; F20-A24 PolarHBondContact O-N 2.82Å; F20-V36 HydrophobicContact CB-CG2 3.61Å; F20-V36 HydrophobicContact CD2-CG2 4.06Å; F20-V36 HydrophobicContact CG-CG2 4.27Å
21	I	94.5	Very high	94.5	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-44.2	179.8	-66.7	169.2	0	0	0	111.5	A17 A18 H23 A24 F29 F33 V36 L46 A50 A53 F54 Y57	A17-I21 VanDerWaalsContact O-CG1 3.3Å; A17-I21 WeakPolarHBondContact O-CG1 3.3Å; A17-I21 PolarHBondContact O-N 3.28Å; A18-I21 PolarHBondContact O-N 3.14Å; I21-H23 VanDerWaalsContact C-N 3.27Å; I21-H23 PolarHBondContact O-N 2.84Å; I21-A24 WeakPolarHBondContact O-CB 3.43Å; I21-A24 PolarHBondContact O-N 3.42Å; I21-F29 HydrophobicContact CG2-CE2 3.43Å; I21-F29 VanDerWaalsContact CG2-CE2 3.43Å; I21-F29 HydrophobicContact CG2-CZ 3.65Å; I21-F33 HydrophobicContact CD1-CD2 4.24Å; I21-V36 HydrophobicContact CD1-CG1 4.35Å; I21-V36 HydrophobicContact CG1-CG1 4.44Å; I21-L46 HydrophobicContact CD1-CD1 4.1Å; I21-A50 HydrophobicContact CD1-CB 3.91Å; I21-A53 HydrophobicContact CB-CB 4.33Å; I21-A53 HydrophobicContact CG2-CB 4.08Å; I21-F54 HydrophobicContact CD1-CZ 4.19Å; I21-Y57 WeakPolarHBondContact O-CD2 3.49Å
22	T	94.8	Very high	94.7	Very high	39 Å²	39	52.4 Å²	52.4	24%	0.239	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-23.7	179.3	52.8	0	0	0	0	113.7	A18 K19 F20 A53	A18-T22 WeakPolarHBondContact O-CG2 3.25Å; A18-T22 PolarHBondContact O-N 3.21Å; A18-T22 PolarHBondContact O-OG1 3.45Å; A18-T22 VanDerWaalsContact O-OG1 3.13Å; K19-T22 PolarHBondContact O-OG1 2.78Å; K19-T22 VanDerWaalsContact O-OG1 3.09Å; F20-T22 PolarHBondContact O-N 2.95Å; T22-A53 HydrophobicContact CG2-CB 3.85Å
23	H	96.1	Very high	94.7	Very high	130 Å²	130	51 Å²	51	60%	0.602	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	9.3	179.8	-67.6	73.5	0	0	0	113.4	K19 F20 I21	K19-H23 WeakPolarHBondContact O-CB 3.37Å; K19-H23 PolarHBondContact O-N 3.36Å; K19-H23 PolarHBondContact O-ND1 3.05Å; F20-H23 PolarHBondContact O-N 3.44Å; I21-H23 VanDerWaalsContact C-N 3.27Å; I21-H23 PolarHBondContact O-N 2.84Å
24	A	96.7	Very high	94.7	Very high	2 Å²	2	51 Å²	51	2%	0.017	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-56.9	134.1	175.9	0	0	0	0	0	110.9	F20 I21 F29 V32 Y57	F20-A24 PolarHBondContact O-N 2.82Å; I21-A24 WeakPolarHBondContact O-CB 3.43Å; I21-A24 PolarHBondContact O-N 3.42Å; A24-F29 HydrophobicContact CB-CD2 4.19Å; A24-V32 HydrophobicContact CB-CB 3.87Å; A24-V32 HydrophobicContact CB-CG1 4.03Å; A24-V32 HydrophobicContact CB-CG2 3.89Å; A24-Y57 HydrophobicContact CB-CE2 3.91Å; A24-Y57 VanDerWaalsContact O-CE2 3.32Å; A24-Y57 WeakPolarHBondContact O-CE2 3.39Å
25	P	96.7	Very high	94.8	Very high	13 Å²	13	54.8 Å²	54.8	8%	0.084	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-57.5	153	172.9	-23.3	33.7	0	0	0	111.7	G27 E28 Y57 H197	P25-G27 PolarHBondContact O-N 2.92Å; P25-E28 HydrophobicContact CB-CB 4.26Å; P25-E28 PolarHBondContact O-N 3.33Å; P25-E28 VanDerWaalsContact O-N 3.14Å; P25-Y57 PolarHBondContact O-OH 3.18Å; P25-H197 HydrophobicContact CB-CB 4.2Å
26	P	94.3	Very high	94.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	132.1	176.6	29.2	-37.1	0	0	0	109.6	E28 F163 N170 R172 Q195	P26-E28 VanDerWaalsContact C-N 3.31Å; P26-E28 PolarHBondContact O-N 3.24Å; P26-F163 HydrophobicContact CB-CE1 3.89Å; P26-F163 HydrophobicContact CB-CZ 4.14Å; P26-N170 WeakPolarHBondContact O-CB 3.45Å; P26-R172 HydrophobicContact CB-CB 3.65Å; P26-R172 HydrophobicContact CG-CB 3.94Å; P26-Q195 VanDerWaalsContact CD-CD 3.43Å; P26-Q195 HydrophobicContact CG-CB 4.23Å; P26-Q195 HydrophobicContact CG-CG 4.11Å
27	G	94.7	Very high	94.9	Very high	30 Å²	30	49.2 Å²	49.2	31%	0.309	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-5.2	-177.9	0	0	0	0	0	115.3	P25	P25-G27 PolarHBondContact O-N 2.92Å
28	E	96.1	Very high	94.9	Very high	23 Å²	23	55.4 Å²	55.4	11%	0.107	28%	0.278	C	S	.	.			trans	-120.6	16.4	-176.7	-70.6	162	-117	0	0	113	P25 P26 N30 E31 V32 N170 H197	P25-E28 HydrophobicContact CB-CB 4.26Å; P25-E28 PolarHBondContact O-N 3.33Å; P25-E28 VanDerWaalsContact O-N 3.14Å; P26-E28 VanDerWaalsContact C-N 3.31Å; P26-E28 PolarHBondContact O-N 3.24Å; E28-N30 VanDerWaalsContact C-N 3.34Å; E28-N30 PolarHBondContact O-N 3.2Å; E28-E31 VanDerWaalsContact C-OE2 3.28Å; E28-E31 VanDerWaalsContact CA-OE2 3.29Å; E28-E31 WeakPolarHBondContact CA-OE2 3.31Å; E28-E31 PolarHBondContact O-N 3.47Å; E28-V32 WeakPolarHBondContact O-CG2 3.4Å; E28-V32 PolarHBondContact O-N 3.35Å; E28-N170 WeakPolarHBondContact CG-ND2 3.36Å; E28-N170 PolarHBondContact OE1-ND2 3.41Å; E28-H197 IonicContact OE1-CE1 3.7Å; E28-H197 IonicContact OE1-CG 2.79Å; E28-H197 IonicContact OE1-ND1 3.32Å; E28-H197 PolarHBondContact OE1-ND1 3.24Å; E28-H197 IonicContact OE2-CE1 3.67Å; E28-H197 PolarHBondContact OE2-CE1 3.44Å; E28-H197 IonicContact OE2-ND1 3.39Å; E28-H197 PolarHBondContact OE2-ND1 3.34Å
29	F	93.8	Very high	95	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-43.7	-177.7	-178.4	-94.1	0	0	0	112.9	I21 A24 F33 F54 Y57	I21-F29 HydrophobicContact CG2-CE2 3.43Å; I21-F29 VanDerWaalsContact CG2-CE2 3.43Å; I21-F29 HydrophobicContact CG2-CZ 3.65Å; A24-F29 HydrophobicContact CB-CD2 4.19Å; F29-F33 HydrophobicContact CE1-CB 4.4Å; F29-F33 VanDerWaalsContact O-CB 3.24Å; F29-F33 WeakPolarHBondContact O-CB 3.17Å; F29-F33 PolarHBondContact O-N 3.03Å; F29-F54 AromaticContact CE1-CD1 3.61Å; F29-F54 HydrophobicContact CE1-CD1 3.61Å; F29-F54 AromaticContact CE1-CE1 3.82Å; F29-F54 HydrophobicContact CE1-CE1 3.82Å; F29-F54 HydrophobicContact CE2-CD1 4.48Å; F29-F54 AromaticContact CZ-CD1 3.26Å; F29-F54 HydrophobicContact CZ-CD1 3.26Å; F29-F54 AromaticContact CZ-CE1 3.62Å; F29-F54 HydrophobicContact CZ-CE1 3.62Å; F29-F54 HydrophobicContact CZ-CG 4.14Å; F29-Y57 HydrophobicContact CB-CE1 3.84Å; F29-Y57 AromaticContact CD2-CD1 3.29Å; F29-Y57 HydrophobicContact CD2-CD1 3.29Å; F29-Y57 AromaticContact CD2-CD2 3.88Å; F29-Y57 HydrophobicContact CD2-CD2 3.88Å; F29-Y57 AromaticContact CD2-CE1 3.28Å; F29-Y57 HydrophobicContact CD2-CE1 3.28Å; F29-Y57 AromaticContact CD2-CE2 3.86Å; F29-Y57 HydrophobicContact CD2-CE2 3.86Å; F29-Y57 AromaticContact CD2-CG 3.6Å; F29-Y57 HydrophobicContact CD2-CG 3.6Å; F29-Y57 AromaticContact CD2-CZ 3.56Å; F29-Y57 AromaticContact CE2-CD1 3.52Å; F29-Y57 HydrophobicContact CE2-CD1 3.52Å; F29-Y57 HydrophobicContact CE2-CD2 4.11Å; F29-Y57 HydrophobicContact CE2-CE1 4.03Å; F29-Y57 AromaticContact CE2-CG 3.57Å; F29-Y57 HydrophobicContact CE2-CG 3.57Å; F29-Y57 HydrophobicContact CG-CD1 4.06Å; F29-Y57 AromaticContact CG-CE1 3.74Å; F29-Y57 HydrophobicContact CG-CE1 3.74Å; F29-Y57 HydrophobicContact CZ-CD1 4.48Å
30	N	92.5	Very high	94.8	Very high	83 Å²	83	57 Å²	57	44%	0.444	29%	0.291	S	S	.	.	H	α-helix	trans	-70.2	-38.3	-174.2	-70.3	-19.4	0	0	0	110.8	E28 N34	E28-N30 VanDerWaalsContact C-N 3.34Å; E28-N30 PolarHBondContact O-N 3.2Å; N30-N34 WeakPolarHBondContact O-CB 3.33Å; N30-N34 PolarHBondContact O-N 2.93Å; N30-N34 PolarHBondContact O-ND2 2.8Å
31	E	94.7	Very high	94.7	Very high	102 Å²	102	58.4 Å²	58.4	48%	0.477	30%	0.304	S	S	.	.	H	α-helix	trans	-61.7	-54.3	175.3	-66.6	73.6	-168	0	0	109.9	E28 F33 N34 D35	E28-E31 VanDerWaalsContact C-OE2 3.28Å; E28-E31 VanDerWaalsContact CA-OE2 3.29Å; E28-E31 WeakPolarHBondContact CA-OE2 3.31Å; E28-E31 PolarHBondContact O-N 3.47Å; E31-F33 VanDerWaalsContact C-N 3.32Å; E31-F33 PolarHBondContact O-N 2.85Å; E31-N34 PolarHBondContact O-N 3.45Å; E31-N34 VanDerWaalsContact O-N 3.16Å; E31-D35 PolarHBondContact O-N 2.84Å
32	V	95.5	Very high	94.6	Very high	30 Å²	30	61.5 Å²	61.5	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-42.3	177.6	173.8	0	0	0	0	111.5	A24 E28 D35 V36	A24-V32 HydrophobicContact CB-CB 3.87Å; A24-V32 HydrophobicContact CB-CG1 4.03Å; A24-V32 HydrophobicContact CB-CG2 3.89Å; E28-V32 WeakPolarHBondContact O-CG2 3.4Å; E28-V32 PolarHBondContact O-N 3.35Å; V32-D35 PolarHBondContact O-N 3.03Å; V32-V36 HydrophobicContact CG1-CG2 4.29Å; V32-V36 WeakPolarHBondContact O-CB 3.36Å; V32-V36 VanDerWaalsContact O-CG2 3.24Å; V32-V36 WeakPolarHBondContact O-CG2 3.45Å; V32-V36 PolarHBondContact O-N 3.26Å
33	F	93	Very high	94.3	Very high	29 Å²	29	63.1 Å²	63.1	13%	0.127	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-45.4	176.3	168.4	-110.2	0	0	0	112	I21 F29 E31 D35 V36 R37 L46 F54 L101	I21-F33 HydrophobicContact CD1-CD2 4.24Å; F29-F33 HydrophobicContact CE1-CB 4.4Å; F29-F33 VanDerWaalsContact O-CB 3.24Å; F29-F33 WeakPolarHBondContact O-CB 3.17Å; F29-F33 PolarHBondContact O-N 3.03Å; E31-F33 VanDerWaalsContact C-N 3.32Å; E31-F33 PolarHBondContact O-N 2.85Å; F33-D35 VanDerWaalsContact C-N 3.35Å; F33-V36 PolarHBondContact O-N 2.96Å; F33-R37 VanDerWaalsContact O-CB 3.29Å; F33-R37 WeakPolarHBondContact O-CB 3.48Å; F33-R37 PolarHBondContact O-N 2.77Å; F33-L46 HydrophobicContact CD2-CD2 4.25Å; F33-L46 HydrophobicContact CE2-CD2 3.53Å; F33-L46 HydrophobicContact CE2-CG 4.18Å; F33-L46 HydrophobicContact CZ-CD2 4.25Å; F33-F54 AromaticContact CD2-CE1 3.6Å; F33-F54 HydrophobicContact CD2-CE1 3.6Å; F33-F54 AromaticContact CD2-CZ 3.5Å; F33-F54 HydrophobicContact CD2-CZ 3.5Å; F33-F54 VanDerWaalsContact CD2-CZ 3.5Å; F33-F54 AromaticContact CE2-CE1 3.8Å; F33-F54 HydrophobicContact CE2-CE1 3.8Å; F33-F54 AromaticContact CE2-CZ 3.39Å; F33-F54 HydrophobicContact CE2-CZ 3.39Å; F33-F54 HydrophobicContact CG-CE1 4.12Å; F33-F54 HydrophobicContact CG-CZ 4.44Å; F33-F54 HydrophobicContact CZ-CE1 4.44Å; F33-F54 HydrophobicContact CZ-CZ 4.24Å; F33-L101 HydrophobicContact CE1-CD1 4Å; F33-L101 HydrophobicContact CZ-CD1 4.03Å
34	N	93.6	Very high	93.9	Very high	77 Å²	77	61.5 Å²	61.5	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-41	178.2	-74	-32.3	0	0	0	111.6	N30 E31 R37 L38	N30-N34 WeakPolarHBondContact O-CB 3.33Å; N30-N34 PolarHBondContact O-N 2.93Å; N30-N34 PolarHBondContact O-ND2 2.8Å; E31-N34 PolarHBondContact O-N 3.45Å; E31-N34 VanDerWaalsContact O-N 3.16Å; N34-R37 PolarHBondContact O-N 2.71Å; N34-L38 WeakPolarHBondContact O-CG 3.42Å; N34-L38 PolarHBondContact O-N 3.46Å
35	D	96.1	Very high	93.6	Very high	97 Å²	97	63 Å²	63	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-48.4	176	-71	-18.5	0	0	0	111.3	E31 V32 F33 R37 L38 L39	E31-D35 PolarHBondContact O-N 2.84Å; V32-D35 PolarHBondContact O-N 3.03Å; F33-D35 VanDerWaalsContact C-N 3.35Å; D35-R37 VanDerWaalsContact C-N 3.3Å; D35-R37 PolarHBondContact O-N 3.35Å; D35-L38 PolarHBondContact O-N 3.35Å; D35-L39 WeakPolarHBondContact O-CB 3.41Å; D35-L39 VanDerWaalsContact O-CG 3.25Å; D35-L39 WeakPolarHBondContact O-CG 3.24Å; D35-L39 PolarHBondContact O-N 3.25Å
36	V	95.1	Very high	93.1	Very high	10 Å²	10	62.7 Å²	62.7	6%	0.061	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-40.2	177.1	171.1	0	0	0	0	111.3	A17 F20 I21 V32 F33 L39 L40 L46	A17-V36 HydrophobicContact CB-CG1 3.53Å; F20-V36 HydrophobicContact CB-CG2 3.61Å; F20-V36 HydrophobicContact CD2-CG2 4.06Å; F20-V36 HydrophobicContact CG-CG2 4.27Å; I21-V36 HydrophobicContact CD1-CG1 4.35Å; I21-V36 HydrophobicContact CG1-CG1 4.44Å; V32-V36 HydrophobicContact CG1-CG2 4.29Å; V32-V36 WeakPolarHBondContact O-CB 3.36Å; V32-V36 VanDerWaalsContact O-CG2 3.24Å; V32-V36 WeakPolarHBondContact O-CG2 3.45Å; V32-V36 PolarHBondContact O-N 3.26Å; F33-V36 PolarHBondContact O-N 2.96Å; V36-L39 PolarHBondContact O-N 3.49Å; V36-L40 VanDerWaalsContact O-CB 3.32Å; V36-L40 WeakPolarHBondContact O-CB 3.49Å; V36-L40 PolarHBondContact O-N 2.8Å; V36-L46 HydrophobicContact CG1-CD1 4.1Å
37	R	93.8	Very high	92.6	Very high	106 Å²	106	70.5 Å²	70.5	40%	0.4	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-46.7	176	-177.1	-175.5	173.2	-163.8	-1.3	111.8	F33 N34 D35 N41 D43 L46	F33-R37 VanDerWaalsContact O-CB 3.29Å; F33-R37 WeakPolarHBondContact O-CB 3.48Å; F33-R37 PolarHBondContact O-N 2.77Å; N34-R37 PolarHBondContact O-N 2.71Å; D35-R37 VanDerWaalsContact C-N 3.3Å; D35-R37 PolarHBondContact O-N 3.35Å; R37-N41 PolarHBondContact O-N 2.82Å; R37-D43 VanDerWaalsContact CG-OD1 3.25Å; R37-D43 WeakPolarHBondContact CG-OD1 3.48Å; R37-D43 IonicContact CZ-OD1 3.99Å; R37-D43 IonicContact CZ-OD2 2.81Å; R37-D43 IonicContact NE-OD1 2.86Å; R37-D43 PolarHBondContact NE-OD1 3.02Å; R37-D43 IonicContact NE-OD2 3.31Å; R37-D43 PolarHBondContact NE-OD2 3.33Å; R37-D43 IonicContact NH2-OD1 3.98Å; R37-D43 IonicContact NH2-OD2 2.75Å; R37-D43 PolarHBondContact NH2-OD2 2.82Å; R37-L46 HydrophobicContact CB-CD2 3.66Å; R37-L46 HydrophobicContact CG-CD2 3.96Å
38	L	95.6	Very high	92	Very high	134 Å²	134	76.2 Å²	76.2	70%	0.702	38%	0.377	S	S	*	.	H	α-helix	trans	-66.1	-39.5	177.7	-70.3	172.4	0	0	0	112.2	N34 D35	N34-L38 WeakPolarHBondContact O-CG 3.42Å; N34-L38 PolarHBondContact O-N 3.46Å; D35-L38 PolarHBondContact O-N 3.35Å
39	L	95	Very high	91.2	Very high	142 Å²	142	76 Å²	76	74%	0.743	38%	0.38	S	S	*	.	H	α-helix	trans	-67.7	-42.1	178.2	-72.5	171.7	0	0	0	112.5	D35 V36	D35-L39 WeakPolarHBondContact O-CB 3.41Å; D35-L39 VanDerWaalsContact O-CG 3.25Å; D35-L39 WeakPolarHBondContact O-CG 3.24Å; D35-L39 PolarHBondContact O-N 3.25Å; V36-L39 PolarHBondContact O-N 3.49Å
40	L	93.3	Very high	90.7	Very high	32 Å²	32	75.8 Å²	75.8	17%	0.168	38%	0.379	C	S	.	.	H	α-helix	trans	-74.1	-33.5	179.1	-172.9	63.2	0	0	0	112	K13 V36 N42 L45 L46	K13-L40 HydrophobicContact CB-CD1 3.72Å; K13-L40 HydrophobicContact CD-CD1 3.94Å; K13-L40 HydrophobicContact CG-CD1 4.33Å; V36-L40 VanDerWaalsContact O-CB 3.32Å; V36-L40 WeakPolarHBondContact O-CB 3.49Å; V36-L40 PolarHBondContact O-N 2.8Å; L40-N42 HydrophobicContact CG-CB 4.44Å; L40-N42 PolarHBondContact O-N 3.44Å; L40-L45 HydrophobicContact CD1-CD2 4.36Å; L40-L45 HydrophobicContact CD2-CD2 4.37Å; L40-L46 HydrophobicContact CD2-CB 4.01Å; L40-L46 HydrophobicContact CD2-CD1 4.06Å
41	N	93.1	Very high	90.4	Very high	142 Å²	142	74.5 Å²	74.5	76%	0.759	38%	0.38	S	S	*	.			trans	51.7	36.7	179.5	-164.2	31.8	0	0	0	113.6	R37	R37-N41 PolarHBondContact O-N 2.82Å
42	N	91.9	Very high	90.1	Very high	66 Å²	66	75.5 Å²	75.5	35%	0.353	39%	0.385	S	S	.	.			trans	-150.3	91.9	177	-171.9	-17.5	0	0	0	110.5	L40 N44 L45 L46	L40-N42 HydrophobicContact CG-CB 4.44Å; L40-N42 PolarHBondContact O-N 3.44Å; N42-N44 PolarHBondContact O-N 3.06Å; N42-N44 PolarHBondContact OD1-N 2.9Å; N42-L45 HydrophobicContact CB-CB 4.07Å; N42-L45 PolarHBondContact O-N 3.02Å; N42-L45 PolarHBondContact OD1-N 2.99Å; N42-L46 PolarHBondContact O-N 3.14Å; N42-L46 VanDerWaalsContact O-N 3.09Å
43	D	88.9	Confident	90	Very high	74 Å²	74	74 Å²	74	40%	0.396	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-35	-174.3	-72.9	-11.8	0	0	0	113.4	R37 L46 R47	R37-D43 VanDerWaalsContact CG-OD1 3.25Å; R37-D43 WeakPolarHBondContact CG-OD1 3.48Å; R37-D43 IonicContact CZ-OD1 3.99Å; R37-D43 IonicContact CZ-OD2 2.81Å; R37-D43 IonicContact NE-OD1 2.86Å; R37-D43 PolarHBondContact NE-OD1 3.02Å; R37-D43 IonicContact NE-OD2 3.31Å; R37-D43 PolarHBondContact NE-OD2 3.33Å; R37-D43 IonicContact NH2-OD1 3.98Å; R37-D43 IonicContact NH2-OD2 2.75Å; R37-D43 PolarHBondContact NH2-OD2 2.82Å; D43-L46 PolarHBondContact O-N 2.78Å; D43-R47 VanDerWaalsContact O-CB 3.27Å; D43-R47 WeakPolarHBondContact O-CB 3.31Å; D43-R47 PolarHBondContact O-N 3.42Å
44	N	88.8	Confident	89.9	Confident	96 Å²	96	73.3 Å²	73.3	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-65.7	-46.1	179.5	-69.4	-30.6	0	0	0	110.5	N42 R47 E48	N42-N44 PolarHBondContact O-N 3.06Å; N42-N44 PolarHBondContact OD1-N 2.9Å; N44-R47 PolarHBondContact O-N 2.88Å; N44-E48 PolarHBondContact O-N 3.42Å; N44-E48 VanDerWaalsContact O-N 3.08Å
45	L	88.7	Confident	89.9	Confident	34 Å²	34	70.7 Å²	70.7	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-63.6	-41.8	178.3	-176.2	64.5	0	0	0	111.6	D10 V14 L40 N42 G49	D10-L45 HydrophobicContact CB-CD1 4.21Å; D10-L45 HydrophobicContact CB-CD2 3.82Å; V14-L45 HydrophobicContact CG2-CD1 3.49Å; V14-L45 VanDerWaalsContact CG2-CD1 3.49Å; V14-L45 HydrophobicContact CG2-CD2 4Å; V14-L45 HydrophobicContact CG2-CG 3.44Å; V14-L45 VanDerWaalsContact CG2-CG 3.44Å; L40-L45 HydrophobicContact CD1-CD2 4.36Å; L40-L45 HydrophobicContact CD2-CD2 4.37Å; N42-L45 HydrophobicContact CB-CB 4.07Å; N42-L45 PolarHBondContact O-N 3.02Å; N42-L45 PolarHBondContact OD1-N 2.99Å; L45-G49 WeakPolarHBondContact O-CA 3.21Å; L45-G49 PolarHBondContact O-N 2.77Å
46	L	87.4	Confident	89.9	Confident	5 Å²	5	70 Å²	70	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-43.4	177.3	-169.3	60.9	0	0	0	112.1	A17 I21 F33 V36 R37 L40 N42 D43 A50	A17-L46 HydrophobicContact CB-CD1 4.05Å; I21-L46 HydrophobicContact CD1-CD1 4.1Å; F33-L46 HydrophobicContact CD2-CD2 4.25Å; F33-L46 HydrophobicContact CE2-CD2 3.53Å; F33-L46 HydrophobicContact CE2-CG 4.18Å; F33-L46 HydrophobicContact CZ-CD2 4.25Å; V36-L46 HydrophobicContact CG1-CD1 4.1Å; R37-L46 HydrophobicContact CB-CD2 3.66Å; R37-L46 HydrophobicContact CG-CD2 3.96Å; L40-L46 HydrophobicContact CD2-CB 4.01Å; L40-L46 HydrophobicContact CD2-CD1 4.06Å; N42-L46 PolarHBondContact O-N 3.14Å; N42-L46 VanDerWaalsContact O-N 3.09Å; D43-L46 PolarHBondContact O-N 2.78Å; L46-A50 HydrophobicContact CD1-CB 3.89Å; L46-A50 WeakPolarHBondContact O-CA 3.33Å; L46-A50 VanDerWaalsContact O-CB 3.25Å; L46-A50 WeakPolarHBondContact O-CB 3.21Å; L46-A50 PolarHBondContact O-N 3.45Å
47	R	83.1	Confident	90	Very high	165 Å²	165	69.7 Å²	69.7	62%	0.623	35%	0.353	S	S	*	.	H	α-helix	trans	-65.1	-46.1	-178	-175.6	-178.2	64.4	-166.3	-4.5	112	D43 N44	D43-R47 VanDerWaalsContact O-CB 3.27Å; D43-R47 WeakPolarHBondContact O-CB 3.31Å; D43-R47 PolarHBondContact O-N 3.42Å; N44-R47 PolarHBondContact O-N 2.88Å
48	E	81.3	Confident	90.1	Very high	150 Å²	150	64.6 Å²	64.6	70%	0.701	33%	0.334	S	S	*	.	H	α-helix	trans	-74.2	-42.9	179.7	-69.9	174	-167.8	0	0	111.3	N44	N44-E48 PolarHBondContact O-N 3.42Å; N44-E48 VanDerWaalsContact O-N 3.08Å
49	G	80.3	Confident	90.3	Very high	18 Å²	18	59.2 Å²	59.2	19%	0.186	31%	0.305	C	S	.	.	H	α-helix	trans	-79.6	-31.8	-171.9	0	0	0	0	0	114.7	V14 L45 H52	V14-G49 VanDerWaalsContact CG1-C 3.46Å; V14-G49 VanDerWaalsContact CG1-CA 3.41Å; V14-G49 VanDerWaalsContact CG1-O 3.31Å; V14-G49 WeakPolarHBondContact CG1-O 3.39Å; L45-G49 WeakPolarHBondContact O-CA 3.21Å; L45-G49 PolarHBondContact O-N 2.77Å; G49-H52 PolarHBondContact O-CE1 3.35Å; G49-H52 PolarHBondContact O-ND1 3.42Å
50	A	83.6	Confident	90.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-110	1.8	-173.2	0	0	0	0	0	114.5	I21 L46 H52 A53 F54	I21-A50 HydrophobicContact CD1-CB 3.91Å; L46-A50 HydrophobicContact CD1-CB 3.89Å; L46-A50 WeakPolarHBondContact O-CA 3.33Å; L46-A50 VanDerWaalsContact O-CB 3.25Å; L46-A50 WeakPolarHBondContact O-CB 3.21Å; L46-A50 PolarHBondContact O-N 3.45Å; A50-H52 PolarHBondContact O-N 2.82Å; A50-H52 VanDerWaalsContact O-N 3.14Å; A50-A53 HydrophobicContact CB-CB 4.45Å; A50-A53 WeakPolarHBondContact O-CA 3.33Å; A50-A53 WeakPolarHBondContact O-CB 3.12Å; A50-A53 PolarHBondContact O-N 3.32Å; A50-F54 HydrophobicContact CB-CE2 4.07Å; A50-F54 WeakPolarHBondContact O-CD2 3.13Å; A50-F54 VanDerWaalsContact O-CE2 3.25Å; A50-F54 WeakPolarHBondContact O-CE2 3.4Å; A50-F54 PolarHBondContact O-N 3.38Å
51	A	85.4	Confident	90.6	Very high	56 Å²	56	54.9 Å²	54.9	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-49.8	-42.2	179	0	0	0	0	0	113.1	A53 F54 A55	A51-A53 VanDerWaalsContact C-N 3.28Å; A51-A53 PolarHBondContact O-N 2.54Å; A51-F54 PolarHBondContact O-N 2.89Å; A51-A55 PolarHBondContact O-N 3.38Å
52	H	89.4	Confident	90.8	Very high	122 Å²	122	48.9 Å²	48.9	57%	0.565	25%	0.25	S	C	*	.	H	α-helix	trans	-63.5	-31.8	177.2	69.8	-87.4	0	0	0	112.9	G49 A50 A55 Q56	G49-H52 PolarHBondContact O-CE1 3.35Å; G49-H52 PolarHBondContact O-ND1 3.42Å; A50-H52 PolarHBondContact O-N 2.82Å; A50-H52 VanDerWaalsContact O-N 3.14Å; H52-A55 PolarHBondContact O-N 3Å; H52-Q56 WeakPolarHBondContact O-CB 3.46Å; H52-Q56 PolarHBondContact O-N 2.99Å
53	A	92.8	Very high	91.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.4	-35.3	178.4	0	0	0	0	0	112	A18 I21 T22 A50 A51 Y57	A18-A53 HydrophobicContact CB-CB 3.95Å; I21-A53 HydrophobicContact CB-CB 4.33Å; I21-A53 HydrophobicContact CG2-CB 4.08Å; T22-A53 HydrophobicContact CG2-CB 3.85Å; A50-A53 HydrophobicContact CB-CB 4.45Å; A50-A53 WeakPolarHBondContact O-CA 3.33Å; A50-A53 WeakPolarHBondContact O-CB 3.12Å; A50-A53 PolarHBondContact O-N 3.32Å; A51-A53 VanDerWaalsContact C-N 3.28Å; A51-A53 PolarHBondContact O-N 2.54Å; A53-Y57 VanDerWaalsContact O-CB 3.23Å; A53-Y57 WeakPolarHBondContact O-CB 3.39Å; A53-Y57 PolarHBondContact O-N 3.39Å
54	F	91.8	Very high	91.6	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.057	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-44	174	-57.6	-97.6	0	0	0	111	I21 F29 F33 A50 A51 Y57 N58 H100 L101	I21-F54 HydrophobicContact CD1-CZ 4.19Å; F29-F54 AromaticContact CE1-CD1 3.61Å; F29-F54 HydrophobicContact CE1-CD1 3.61Å; F29-F54 AromaticContact CE1-CE1 3.82Å; F29-F54 HydrophobicContact CE1-CE1 3.82Å; F29-F54 HydrophobicContact CE2-CD1 4.48Å; F29-F54 AromaticContact CZ-CD1 3.26Å; F29-F54 HydrophobicContact CZ-CD1 3.26Å; F29-F54 AromaticContact CZ-CE1 3.62Å; F29-F54 HydrophobicContact CZ-CE1 3.62Å; F29-F54 HydrophobicContact CZ-CG 4.14Å; F33-F54 AromaticContact CD2-CE1 3.6Å; F33-F54 HydrophobicContact CD2-CE1 3.6Å; F33-F54 AromaticContact CD2-CZ 3.5Å; F33-F54 HydrophobicContact CD2-CZ 3.5Å; F33-F54 VanDerWaalsContact CD2-CZ 3.5Å; F33-F54 AromaticContact CE2-CE1 3.8Å; F33-F54 HydrophobicContact CE2-CE1 3.8Å; F33-F54 AromaticContact CE2-CZ 3.39Å; F33-F54 HydrophobicContact CE2-CZ 3.39Å; F33-F54 HydrophobicContact CG-CE1 4.12Å; F33-F54 HydrophobicContact CG-CZ 4.44Å; F33-F54 HydrophobicContact CZ-CE1 4.44Å; F33-F54 HydrophobicContact CZ-CZ 4.24Å; A50-F54 HydrophobicContact CB-CE2 4.07Å; A50-F54 WeakPolarHBondContact O-CD2 3.13Å; A50-F54 VanDerWaalsContact O-CE2 3.25Å; A50-F54 WeakPolarHBondContact O-CE2 3.4Å; A50-F54 PolarHBondContact O-N 3.38Å; A51-F54 PolarHBondContact O-N 2.89Å; F54-Y57 PolarHBondContact O-N 3.12Å; F54-N58 WeakPolarHBondContact O-CB 3.3Å; F54-N58 VanDerWaalsContact O-CG 3.28Å; F54-N58 PolarHBondContact O-N 2.84Å; F54-N58 PolarHBondContact O-ND2 3.33Å; F54-H100 HydrophobicContact CB-CB 3.76Å; F54-L101 HydrophobicContact CD1-CD1 4.13Å; F54-L101 HydrophobicContact CE1-CD1 3.71Å; F54-L101 HydrophobicContact CZ-CD1 4.32Å
55	A	93.7	Very high	92	Very high	22 Å²	22	39.3 Å²	39.3	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-51	178.1	0	0	0	0	0	110.8	A51 H52 Y57 N58 M59 H100	A51-A55 PolarHBondContact O-N 3.38Å; H52-A55 PolarHBondContact O-N 3Å; A55-Y57 PolarHBondContact O-N 3.18Å; A55-N58 PolarHBondContact O-N 2.95Å; A55-M59 HydrophobicContact CB-CE 4.36Å; A55-M59 WeakPolarHBondContact O-CG 3.47Å; A55-M59 PolarHBondContact O-N 3.28Å; A55-H100 WeakPolarHBondContact CA-ND1 3.46Å
56	Q	95.3	Very high	92.4	Very high	83 Å²	83	42.5 Å²	42.5	39%	0.388	21%	0.213	S	C	.	.	H	α-helix	trans	-57.7	-49.1	177.3	-170.1	62.3	50.1	0	0	111.7	H52 N58 M59 D60	H52-Q56 WeakPolarHBondContact O-CB 3.46Å; H52-Q56 PolarHBondContact O-N 2.99Å; Q56-N58 PolarHBondContact O-N 3.14Å; Q56-M59 PolarHBondContact O-N 3.12Å; Q56-D60 WeakPolarHBondContact CG-OD2 3.28Å; Q56-D60 PolarHBondContact NE2-OD1 3.04Å; Q56-D60 PolarHBondContact NE2-OD2 3.11Å; Q56-D60 VanDerWaalsContact NE2-OD2 3.09Å; Q56-D60 WeakPolarHBondContact O-CB 3.09Å; Q56-D60 VanDerWaalsContact O-CG 3.25Å; Q56-D60 PolarHBondContact O-N 3.24Å
57	Y	96.9	Very high	92.9	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-49.9	178.4	178.8	-90.7	0	0	0	111.7	I21 A24 P25 F29 A53 F54 A55 M59 D60 Q61	I21-Y57 WeakPolarHBondContact O-CD2 3.49Å; A24-Y57 HydrophobicContact CB-CE2 3.91Å; A24-Y57 VanDerWaalsContact O-CE2 3.32Å; A24-Y57 WeakPolarHBondContact O-CE2 3.39Å; P25-Y57 PolarHBondContact O-OH 3.18Å; F29-Y57 HydrophobicContact CB-CE1 3.84Å; F29-Y57 AromaticContact CD2-CD1 3.29Å; F29-Y57 HydrophobicContact CD2-CD1 3.29Å; F29-Y57 AromaticContact CD2-CD2 3.88Å; F29-Y57 HydrophobicContact CD2-CD2 3.88Å; F29-Y57 AromaticContact CD2-CE1 3.28Å; F29-Y57 HydrophobicContact CD2-CE1 3.28Å; F29-Y57 AromaticContact CD2-CE2 3.86Å; F29-Y57 HydrophobicContact CD2-CE2 3.86Å; F29-Y57 AromaticContact CD2-CG 3.6Å; F29-Y57 HydrophobicContact CD2-CG 3.6Å; F29-Y57 AromaticContact CD2-CZ 3.56Å; F29-Y57 AromaticContact CE2-CD1 3.52Å; F29-Y57 HydrophobicContact CE2-CD1 3.52Å; F29-Y57 HydrophobicContact CE2-CD2 4.11Å; F29-Y57 HydrophobicContact CE2-CE1 4.03Å; F29-Y57 AromaticContact CE2-CG 3.57Å; F29-Y57 HydrophobicContact CE2-CG 3.57Å; F29-Y57 HydrophobicContact CG-CD1 4.06Å; F29-Y57 AromaticContact CG-CE1 3.74Å; F29-Y57 HydrophobicContact CG-CE1 3.74Å; F29-Y57 HydrophobicContact CZ-CD1 4.48Å; A53-Y57 VanDerWaalsContact O-CB 3.23Å; A53-Y57 WeakPolarHBondContact O-CB 3.39Å; A53-Y57 PolarHBondContact O-N 3.39Å; F54-Y57 PolarHBondContact O-N 3.12Å; A55-Y57 PolarHBondContact O-N 3.18Å; Y57-M59 VanDerWaalsContact C-N 3.33Å; Y57-M59 PolarHBondContact O-N 3.08Å; Y57-D60 PolarHBondContact O-N 3.4Å; Y57-Q61 HydrophobicContact CD1-CG 4.1Å; Y57-Q61 HydrophobicContact CD2-CG 4.03Å; Y57-Q61 HydrophobicContact CE1-CB 4.41Å; Y57-Q61 HydrophobicContact CE1-CG 3.81Å; Y57-Q61 HydrophobicContact CE2-CG 3.75Å; Y57-Q61 HydrophobicContact CG-CG 4.21Å; Y57-Q61 WeakPolarHBondContact O-CB 3.27Å; Y57-Q61 WeakPolarHBondContact O-CG 3.29Å; Y57-Q61 PolarHBondContact O-N 3.45Å
58	N	97	Very high	93.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-39.7	-175.7	-72.1	-48.2	0	0	0	112	F54 A55 Q56 F62 T63 I76 F98 H100 K103	F54-N58 WeakPolarHBondContact O-CB 3.3Å; F54-N58 VanDerWaalsContact O-CG 3.28Å; F54-N58 PolarHBondContact O-N 2.84Å; F54-N58 PolarHBondContact O-ND2 3.33Å; A55-N58 PolarHBondContact O-N 2.95Å; Q56-N58 PolarHBondContact O-N 3.14Å; N58-F62 PolarHBondContact O-N 3.15Å; N58-T63 WeakPolarHBondContact CA-OG1 3.39Å; N58-T63 PolarHBondContact O-N 3.49Å; N58-T63 VanDerWaalsContact O-N 3.08Å; N58-T63 PolarHBondContact O-OG1 2.97Å; N58-T63 PolarHBondContact OD1-OG1 3.48Å; N58-I76 HydrophobicContact CB-CG2 4.26Å; N58-F98 HydrophobicContact CB-CE1 4.1Å; N58-H100 WeakPolarHBondContact ND2-CB 3.48Å; N58-H100 PolarHBondContact ND2-ND1 2.87Å; N58-H100 PolarHBondContact ND2-O 3.47Å; N58-K103 WeakPolarHBondContact OD1-CE 3.38Å
59	M	97.9	Very high	94.1	Very high	20 Å²	20	40 Å²	40	10%	0.099	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-45.2	176	-70.5	-172.1	-67.4	0	0	112.2	A55 Q56 Y57 Q61 F62 I76 E78 D81 F87	A55-M59 HydrophobicContact CB-CE 4.36Å; A55-M59 WeakPolarHBondContact O-CG 3.47Å; A55-M59 PolarHBondContact O-N 3.28Å; Q56-M59 PolarHBondContact O-N 3.12Å; Y57-M59 VanDerWaalsContact C-N 3.33Å; Y57-M59 PolarHBondContact O-N 3.08Å; M59-Q61 PolarHBondContact O-N 2.85Å; M59-F62 VanDerWaalsContact O-CD1 3.23Å; M59-F62 WeakPolarHBondContact O-CD1 3.29Å; M59-F62 PolarHBondContact O-N 3.32Å; M59-I76 WeakPolarHBondContact CA-O 3.41Å; M59-I76 HydrophobicContact CG-CG2 3.93Å; M59-E78 HydrophobicContact SD-CB 4.49Å; M59-D81 HydrophobicContact SD-CB 4.25Å; M59-F87 HydrophobicContact CG-CE1 4Å; M59-F87 HydrophobicContact CG-CZ 4.19Å; M59-F87 HydrophobicContact SD-CE1 3.95Å; M59-F87 HydrophobicContact SD-CZ 4.14Å
60	D	97.3	Very high	94.7	Very high	72 Å²	72	42.4 Å²	42.4	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-35.7	178.4	-73.8	-19.8	0	0	0	111.4	Q56 Y57 F62 R174	Q56-D60 WeakPolarHBondContact CG-OD2 3.28Å; Q56-D60 PolarHBondContact NE2-OD1 3.04Å; Q56-D60 PolarHBondContact NE2-OD2 3.11Å; Q56-D60 VanDerWaalsContact NE2-OD2 3.09Å; Q56-D60 WeakPolarHBondContact O-CB 3.09Å; Q56-D60 VanDerWaalsContact O-CG 3.25Å; Q56-D60 PolarHBondContact O-N 3.24Å; Y57-D60 PolarHBondContact O-N 3.4Å; D60-F62 VanDerWaalsContact C-N 3.28Å; D60-F62 PolarHBondContact O-N 2.79Å; D60-R174 WeakPolarHBondContact O-CD 3.41Å; D60-R174 PolarHBondContact O-NH1 3.45Å
61	Q	97.9	Very high	95	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.051	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	0.1	-176.4	-65.2	-65.5	-34.1	0	0	114	Y57 M59 T63	Y57-Q61 HydrophobicContact CD1-CG 4.1Å; Y57-Q61 HydrophobicContact CD2-CG 4.03Å; Y57-Q61 HydrophobicContact CE1-CB 4.41Å; Y57-Q61 HydrophobicContact CE1-CG 3.81Å; Y57-Q61 HydrophobicContact CE2-CG 3.75Å; Y57-Q61 HydrophobicContact CG-CG 4.21Å; Y57-Q61 WeakPolarHBondContact O-CB 3.27Å; Y57-Q61 WeakPolarHBondContact O-CG 3.29Å; Y57-Q61 PolarHBondContact O-N 3.45Å; M59-Q61 PolarHBondContact O-N 2.85Å; Q61-T63 VanDerWaalsContact C-N 3.26Å; Q61-T63 PolarHBondContact O-N 3.49Å
62	F	98.5	Very high	95.3	Very high	16 Å²	16	50.5 Å²	50.5	7%	0.07	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	49.4	-174.7	-67.2	-4.6	0	0	0	111.4	N58 M59 D60 P64 L75 I76 T77 C157 E159 R174 E176	N58-F62 PolarHBondContact O-N 3.15Å; M59-F62 VanDerWaalsContact O-CD1 3.23Å; M59-F62 WeakPolarHBondContact O-CD1 3.29Å; M59-F62 PolarHBondContact O-N 3.32Å; D60-F62 VanDerWaalsContact C-N 3.28Å; D60-F62 PolarHBondContact O-N 2.79Å; F62-P64 VanDerWaalsContact O-CD 3.26Å; F62-P64 WeakPolarHBondContact O-CD 3.4Å; F62-P64 VanDerWaalsContact O-N 3.11Å; F62-L75 HydrophobicContact CB-CD1 4.35Å; F62-L75 WeakPolarHBondContact O-CD2 3.38Å; F62-I76 WeakPolarHBondContact CA-O 3.46Å; F62-T77 HydrophobicContact CD1-CG2 3.54Å; F62-T77 HydrophobicContact CE1-CG2 3.83Å; F62-T77 HydrophobicContact CG-CG2 4.08Å; F62-C157 HydrophobicContact CD2-CB 4.02Å; F62-C157 HydrophobicContact CE2-CB 3.74Å; F62-C157 HydrophobicContact CZ-CB 4.19Å; F62-E159 HydrophobicContact CB-CB 3.92Å; F62-E159 HydrophobicContact CB-CG 4.01Å; F62-E159 WeakPolarHBondContact O-CG 3.28Å; F62-R174 HydrophobicContact CB-CG 4.33Å; F62-R174 HydrophobicContact CD2-CB 4.08Å; F62-R174 HydrophobicContact CD2-CG 4.17Å; F62-R174 HydrophobicContact CE2-CB 4.45Å; F62-R174 HydrophobicContact CG-CG 4.4Å; F62-E176 HydrophobicContact CE2-CB 4.14Å; F62-E176 HydrophobicContact CZ-CB 3.95Å; F62-E176 HydrophobicContact CZ-CG 4.43Å
63	T	98.1	Very high	95.7	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	118.4	-172	-59.1	0	0	0	0	109.8	N58 Q61 I76	N58-T63 WeakPolarHBondContact CA-OG1 3.39Å; N58-T63 PolarHBondContact O-N 3.49Å; N58-T63 VanDerWaalsContact O-N 3.08Å; N58-T63 PolarHBondContact O-OG1 2.97Å; N58-T63 PolarHBondContact OD1-OG1 3.48Å; Q61-T63 VanDerWaalsContact C-N 3.26Å; Q61-T63 PolarHBondContact O-N 3.49Å; T63-I76 WeakPolarHBondContact O-CB 3.43Å; T63-I76 WeakPolarHBondContact O-CG1 3.48Å; T63-I76 PolarHBondContact O-N 2.89Å
64	P	97.9	Very high	95.9	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.4	176.8	32.8	-34.9	0	0	0	109.3	F62 Q73 V74 L75 F140	F62-P64 VanDerWaalsContact O-CD 3.26Å; F62-P64 WeakPolarHBondContact O-CD 3.4Å; F62-P64 VanDerWaalsContact O-N 3.11Å; P64-Q73 HydrophobicContact CB-CB 4.42Å; P64-V74 WeakPolarHBondContact CA-O 3.49Å; P64-L75 HydrophobicContact CB-CD2 3.86Å; P64-F140 HydrophobicContact CB-CB 4.32Å; P64-F140 HydrophobicContact CB-CD2 3.68Å; P64-F140 HydrophobicContact CB-CE2 4.15Å; P64-F140 HydrophobicContact CB-CG 3.97Å; P64-F140 HydrophobicContact CG-CD2 3.85Å; P64-F140 HydrophobicContact CG-CE2 4.04Å
65	V	98	Very high	96.2	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.5	177.5	66.5	0	0	0	0	110.8	Q73 V74 I76 F96 F98 A105	V65-Q73 WeakPolarHBondContact O-CA 3.47Å; V65-Q73 WeakPolarHBondContact O-CB 3.41Å; V65-V74 HydrophobicContact CG1-CG1 3.68Å; V65-V74 PolarHBondContact N-O 2.96Å; V65-V74 PolarHBondContact O-N 2.95Å; V65-I76 HydrophobicContact CG1-CD1 3.76Å; V65-I76 HydrophobicContact CG1-CG1 4.01Å; V65-F96 HydrophobicContact CG1-CE2 3.86Å; V65-F96 HydrophobicContact CG1-CZ 3.93Å; V65-F98 HydrophobicContact CB-CD2 4.34Å; V65-F98 HydrophobicContact CB-CE2 3.88Å; V65-F98 HydrophobicContact CG1-CD2 4.32Å; V65-F98 HydrophobicContact CG1-CE2 4.28Å; V65-F98 HydrophobicContact CG2-CD2 4.05Å; V65-F98 HydrophobicContact CG2-CE2 3.73Å; V65-A105 HydrophobicContact CG1-CB 4.47Å; V65-A105 HydrophobicContact CG2-CB 3.69Å
66	K	97.6	Very high	96.5	Very high	101 Å²	101	46.2 Å²	46.2	44%	0.439	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.4	173.5	-178.5	62.6	166.2	-175.4	0	109.8	Y70 E71 Q73	K66-Y70 WeakPolarHBondContact CE-O 3.45Å; K66-Y70 PolarHBondContact NZ-O 2.94Å; K66-E71 PolarHBondContact NZ-O 2.81Å; K66-Q73 HydrophobicContact CB-CG 4.14Å; K66-Q73 HydrophobicContact CD-CG 4.2Å
67	I	97.4	Very high	96.6	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-97.9	131.4	171.6	-50.6	173.1	0	0	0	108.1	G69 Y70 V74 D89 I94 F96 A105 P108	I67-G69 PolarHBondContact O-N 2.86Å; I67-Y70 HydrophobicContact CB-CD2 3.94Å; I67-Y70 HydrophobicContact CG2-CD2 3.65Å; I67-Y70 HydrophobicContact CG2-CE2 4.07Å; I67-Y70 PolarHBondContact O-N 3.02Å; I67-V74 HydrophobicContact CD1-CG1 3.9Å; I67-V74 HydrophobicContact CG1-CG1 4.28Å; I67-D89 HydrophobicContact CD1-CB 4.29Å; I67-I94 HydrophobicContact CD1-CD1 3.81Å; I67-I94 HydrophobicContact CG2-CD1 4.38Å; I67-F96 HydrophobicContact CD1-CB 4.44Å; I67-F96 HydrophobicContact CD1-CD1 3.39Å; I67-F96 HydrophobicContact CD1-CD2 4.41Å; I67-F96 HydrophobicContact CD1-CE1 3.64Å; I67-F96 HydrophobicContact CD1-CG 3.83Å; I67-F96 HydrophobicContact CD1-CZ 4.23Å; I67-F96 HydrophobicContact CG1-CD1 4.34Å; I67-F96 HydrophobicContact CG1-CG 4.36Å; I67-A105 HydrophobicContact CG1-CB 3.94Å; I67-P108 HydrophobicContact CG2-CB 4.4Å
68	E	94.6	Very high	96.6	Very high	181 Å²	181	47.5 Å²	47.5	85%	0.846	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	133.3	176.6	-170	175.3	-172.5	0	0	110.6	Y70	E68-Y70 WeakPolarHBondContact O-CD2 3.49Å
69	G	93.7	Very high	96.7	Very high	81 Å²	81	48.1 Å²	48.1	84%	0.835	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.9	-7.2	-178.2	0	0	0	0	0	116	I67	I67-G69 PolarHBondContact O-N 2.86Å
70	Y	94.6	Very high	96.6	Very high	70 Å²	70	47.2 Å²	47.2	28%	0.275	25%	0.245	S	C	.	.			trans	-113.9	144.2	177.4	-63.3	-87.1	0	0	0	110.7	K66 I67 E68 N92 I94 P108	K66-Y70 WeakPolarHBondContact CE-O 3.45Å; K66-Y70 PolarHBondContact NZ-O 2.94Å; I67-Y70 HydrophobicContact CB-CD2 3.94Å; I67-Y70 HydrophobicContact CG2-CD2 3.65Å; I67-Y70 HydrophobicContact CG2-CE2 4.07Å; I67-Y70 PolarHBondContact O-N 3.02Å; E68-Y70 WeakPolarHBondContact O-CD2 3.49Å; Y70-N92 HydrophobicContact CD1-CB 3.62Å; Y70-N92 WeakPolarHBondContact CD1-OD1 3.34Å; Y70-N92 HydrophobicContact CE1-CB 3.65Å; Y70-I94 HydrophobicContact CD1-CD1 4.49Å; Y70-I94 HydrophobicContact CD2-CD1 3.97Å; Y70-I94 HydrophobicContact CE1-CD1 4.04Å; Y70-I94 HydrophobicContact CE2-CD1 3.48Å; Y70-I94 VanDerWaalsContact CE2-CD1 3.48Å; Y70-I94 HydrophobicContact CG-CD1 4.45Å; Y70-I94 WeakPolarHBondContact OH-CG2 3.16Å; Y70-P108 HydrophobicContact CE2-CB 4.44Å
71	E	89.3	Confident	96.6	Very high	178 Å²	178	47 Å²	47	83%	0.832	24%	0.244	S	C	*	.	S	Bend	trans	-78.3	-42.1	-173.6	-70.9	-168.4	165.2	0	0	114.2	K66	K66-E71 PolarHBondContact NZ-O 2.81Å
72	D	91.4	Very high	96.5	Very high	48 Å²	48	50 Å²	50	26%	0.257	26%	0.26	S	S	.	.	S	Bend	trans	-85.5	167.7	-179.6	-63	-45.9	0	0	0	112	R91 R129	D72-R91 VanDerWaalsContact CB-NH1 3.35Å; D72-R91 VanDerWaalsContact CG-NH1 3.32Å; D72-R91 WeakPolarHBondContact OD2-CD 3.45Å; D72-R91 IonicContact OD2-CZ 3.95Å; D72-R91 IonicContact OD2-NE 2.86Å; D72-R91 IonicContact OD2-NH1 3.44Å; D72-R91 PolarHBondContact OD2-NH1 2.89Å; D72-R129 VanDerWaalsContact CG-NH2 3.29Å; D72-R129 IonicContact OD1-CZ 3.91Å; D72-R129 IonicContact OD1-NH2 3.02Å; D72-R129 PolarHBondContact OD1-NH2 2.88Å; D72-R129 IonicContact OD2-CZ 3.1Å; D72-R129 IonicContact OD2-NE 3.66Å; D72-R129 IonicContact OD2-NH1 3.57Å; D72-R129 IonicContact OD2-NH2 2.79Å; D72-R129 PolarHBondContact OD2-NH2 2.85Å
73	Q	97.1	Very high	96.3	Very high	62 Å²	62	50.7 Å²	50.7	29%	0.29	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	150.9	165.2	-60.7	-167.4	18.5	0	0	110.1	P64 V65 K66 F140	P64-Q73 HydrophobicContact CB-CB 4.42Å; V65-Q73 WeakPolarHBondContact O-CA 3.47Å; V65-Q73 WeakPolarHBondContact O-CB 3.41Å; K66-Q73 HydrophobicContact CB-CG 4.14Å; K66-Q73 HydrophobicContact CD-CG 4.2Å; Q73-F140 HydrophobicContact CB-CD1 3.84Å; Q73-F140 HydrophobicContact CB-CE1 4.03Å; Q73-F140 HydrophobicContact CG-CD1 4.3Å; Q73-F140 HydrophobicContact CG-CE1 3.97Å
74	V	98.1	Very high	96	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.8	175.9	63.4	0	0	0	0	109.7	P64 V65 I67 D89 F96 T142	P64-V74 WeakPolarHBondContact CA-O 3.49Å; V65-V74 HydrophobicContact CG1-CG1 3.68Å; V65-V74 PolarHBondContact N-O 2.96Å; V65-V74 PolarHBondContact O-N 2.95Å; I67-V74 HydrophobicContact CD1-CG1 3.9Å; I67-V74 HydrophobicContact CG1-CG1 4.28Å; V74-D89 HydrophobicContact CB-CB 4.35Å; V74-D89 HydrophobicContact CG1-CB 4.49Å; V74-D89 HydrophobicContact CG2-CB 4.01Å; V74-F96 HydrophobicContact CG1-CE1 3.66Å; V74-F96 HydrophobicContact CG1-CZ 3.52Å; V74-T142 HydrophobicContact CG2-CG2 3.94Å
75	L	98.7	Very high	95.7	Very high	1 Å²	1	60 Å²	60	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.2	178.2	-56.7	-176.9	0	0	0	110.9	F62 P64 T77 F140 T142 Y144 C157 E159	F62-L75 HydrophobicContact CB-CD1 4.35Å; F62-L75 WeakPolarHBondContact O-CD2 3.38Å; P64-L75 HydrophobicContact CB-CD2 3.86Å; L75-T77 HydrophobicContact CB-CG2 3.8Å; L75-T77 PolarHBondContact O-N 2.75Å; L75-F140 HydrophobicContact CD2-CB 3.76Å; L75-T142 PolarHBondContact N-OG1 3.07Å; L75-Y144 PolarHBondContact O-OH 2.89Å; L75-C157 HydrophobicContact CD1-CB 3.77Å; L75-C157 WeakPolarHBondContact CD1-O 3.46Å; L75-E159 HydrophobicContact CD1-CB 4.24Å; L75-E159 HydrophobicContact CD2-CB 3.88Å
76	I	98.6	Very high	95.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.4	167	-58.8	-57.7	0	0	0	108.1	N58 M59 F62 T63 V65 F87 F96 F98	N58-I76 HydrophobicContact CB-CG2 4.26Å; M59-I76 WeakPolarHBondContact CA-O 3.41Å; M59-I76 HydrophobicContact CG-CG2 3.93Å; F62-I76 WeakPolarHBondContact CA-O 3.46Å; T63-I76 WeakPolarHBondContact O-CB 3.43Å; T63-I76 WeakPolarHBondContact O-CG1 3.48Å; T63-I76 PolarHBondContact O-N 2.89Å; V65-I76 HydrophobicContact CG1-CD1 3.76Å; V65-I76 HydrophobicContact CG1-CG1 4.01Å; I76-F87 HydrophobicContact CD1-CB 4.1Å; I76-F87 HydrophobicContact CD1-CD1 4.22Å; I76-F87 HydrophobicContact CD1-CD2 4.08Å; I76-F87 HydrophobicContact CD1-CG 3.85Å; I76-F87 HydrophobicContact CG2-CD1 4.09Å; I76-F87 HydrophobicContact CG2-CE1 3.69Å; I76-F87 HydrophobicContact CG2-CE2 4.29Å; I76-F87 HydrophobicContact CG2-CZ 3.81Å; I76-F96 HydrophobicContact CD1-CE2 3.86Å; I76-F96 HydrophobicContact CD1-CZ 3.77Å; I76-F98 HydrophobicContact CD1-CB 4.24Å; I76-F98 HydrophobicContact CD1-CD1 4.1Å; I76-F98 HydrophobicContact CD1-CD2 3.85Å; I76-F98 HydrophobicContact CD1-CE1 4.43Å; I76-F98 HydrophobicContact CD1-CE2 4.2Å; I76-F98 HydrophobicContact CD1-CG 3.79Å; I76-F98 HydrophobicContact CD1-CZ 4.47Å; I76-F98 HydrophobicContact CG1-CD1 4.09Å; I76-F98 HydrophobicContact CG1-CD2 4.08Å; I76-F98 HydrophobicContact CG1-CE1 3.91Å; I76-F98 HydrophobicContact CG1-CE2 3.91Å; I76-F98 HydrophobicContact CG1-CG 4.16Å; I76-F98 HydrophobicContact CG1-CZ 3.82Å; I76-F98 HydrophobicContact CG2-CD1 4.25Å; I76-F98 HydrophobicContact CG2-CE1 4.19Å
77	T	98.4	Very high	95.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.			trans	-140.5	161.6	-178.2	75.6	0	0	0	0	109.8	F62 L75 H79 G80 D81 Y144 C157	F62-T77 HydrophobicContact CD1-CG2 3.54Å; F62-T77 HydrophobicContact CE1-CG2 3.83Å; F62-T77 HydrophobicContact CG-CG2 4.08Å; L75-T77 HydrophobicContact CB-CG2 3.8Å; L75-T77 PolarHBondContact O-N 2.75Å; T77-H79 PolarHBondContact O-N 2.92Å; T77-H79 PolarHBondContact OG1-N 2.88Å; T77-G80 PolarHBondContact O-N 2.94Å; T77-G80 VanDerWaalsContact O-N 3.07Å; T77-G80 PolarHBondContact OG1-N 3.47Å; T77-D81 PolarHBondContact O-N 2.87Å; T77-Y144 HydrophobicContact CG2-CE2 4.33Å; T77-Y144 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y144 WeakPolarHBondContact OG1-CE2 3.41Å; T77-Y144 VanDerWaalsContact OG1-CZ 3.24Å; T77-Y144 PolarHBondContact OG1-OH 3.09Å; T77-C157 HydrophobicContact CG2-CB 4.22Å
78	E	97.4	Very high	95.7	Very high	113 Å²	113	57.5 Å²	57.5	53%	0.528	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-58.4	-26.3	170.8	63.4	172.2	178.1	0	0	112.3	M59 G80 D81	M59-E78 HydrophobicContact SD-CB 4.49Å; E78-G80 VanDerWaalsContact C-N 3.29Å; E78-G80 PolarHBondContact O-N 2.82Å; E78-D81 PolarHBondContact O-N 2.8Å
79	H	97.4	Very high	95.9	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.056	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-73.5	-25.7	179.5	-53.3	-56.6	0	0	0	111.8	T77 Y144 K146 I155 E176	T77-H79 PolarHBondContact O-N 2.92Å; T77-H79 PolarHBondContact OG1-N 2.88Å; H79-Y144 HydrophobicContact CB-CD1 4.32Å; H79-Y144 HydrophobicContact CB-CD2 3.51Å; H79-Y144 HydrophobicContact CB-CE2 3.72Å; H79-Y144 HydrophobicContact CB-CG 3.82Å; H79-K146 WeakPolarHBondContact O-CE 3.47Å; H79-K146 PolarHBondContact O-NZ 2.98Å; H79-I155 HydrophobicContact CB-CD1 4.32Å; H79-I155 VanDerWaalsContact ND1-CD1 3.35Å; H79-I155 WeakPolarHBondContact ND1-CD1 3.35Å; H79-E176 IonicContact CD2-OE2 2.69Å; H79-E176 IonicContact CE1-OE2 3.46Å; H79-E176 IonicContact NE2-OE1 3.42Å; H79-E176 IonicContact NE2-OE2 2.71Å; H79-E176 PolarHBondContact NE2-OE2 2.89Å
80	G	96.9	Very high	96	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-88.6	-10.5	174.9	0	0	0	0	0	114.5	T77 E78 L82 F87 L88	T77-G80 PolarHBondContact O-N 2.94Å; T77-G80 VanDerWaalsContact O-N 3.07Å; T77-G80 PolarHBondContact OG1-N 3.47Å; E78-G80 VanDerWaalsContact C-N 3.29Å; E78-G80 PolarHBondContact O-N 2.82Å; G80-L82 PolarHBondContact O-N 2.92Å; G80-F87 CarbonylContact O-C 3.33Å; G80-F87 VanDerWaalsContact O-CA 3.23Å; G80-F87 WeakPolarHBondContact O-CA 3.35Å; G80-L88 PolarHBondContact O-N 2.82Å
81	D	96.9	Very high	96.1	Very high	69 Å²	69	44.2 Å²	44.2	37%	0.369	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-70	118.9	-173.7	-171	7.5	0	0	0	111.7	M59 T77 E78 G83 F87	M59-D81 HydrophobicContact SD-CB 4.25Å; T77-D81 PolarHBondContact O-N 2.87Å; E78-D81 PolarHBondContact O-N 2.8Å; D81-G83 WeakPolarHBondContact OD1-CA 3.44Å; D81-G83 PolarHBondContact OD1-N 3.02Å; D81-F87 HydrophobicContact CB-CD1 4.34Å; D81-F87 HydrophobicContact CB-CE1 3.86Å
82	L	95.7	Very high	96.4	Very high	74 Å²	74	38 Å²	38	39%	0.387	20%	0.203	S	C	.	.			trans	-100.3	2.1	176.1	-60.2	175.7	0	0	0	112	G80 R86 L88 E111	G80-L82 PolarHBondContact O-N 2.92Å; L82-R86 HydrophobicContact CB-CB 4.28Å; L82-R86 PolarHBondContact N-O 2.98Å; L82-L88 HydrophobicContact CD1-CB 4.14Å; L82-L88 HydrophobicContact CD2-CB 4.31Å; L82-L88 HydrophobicContact CG-CB 4.23Å; L82-E111 HydrophobicContact CD1-CG 4.27Å
83	G	93.8	Very high	96.6	Very high	29 Å²	29	38.9 Å²	38.9	30%	0.299	20%	0.204	S	C	.	.	S	Bend	trans	76.8	173.3	-169.9	0	0	0	0	0	112.6	D81 S85 R86	D81-G83 WeakPolarHBondContact OD1-CA 3.44Å; D81-G83 PolarHBondContact OD1-N 3.02Å; G83-S85 PolarHBondContact O-N 2.89Å; G83-S85 VanDerWaalsContact O-N 3.13Å; G83-R86 PolarHBondContact O-N 3.17Å
84	N	91.7	Very high	96.6	Very high	159 Å²	159	36.3 Å²	36.3	85%	0.85	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	35.6	-179.8	-59.5	-38.9	0	0	0	113.8	R86	N84-R86 PolarHBondContact O-N 2.86Å
85	S	92.8	Very high	96.6	Very high	67 Å²	67	36.2 Å²	36.2	47%	0.469	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	25.9	-177.7	-54.3	0	0	0	0	114.3	G83 K97 F98	G83-S85 PolarHBondContact O-N 2.89Å; G83-S85 VanDerWaalsContact O-N 3.13Å; S85-K97 WeakPolarHBondContact O-CA 3.49Å; S85-F98 PolarHBondContact O-N 2.95Å
86	R	97.2	Very high	96.6	Very high	43 Å²	43	36.2 Å²	36.2	16%	0.162	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.3	173.1	-64.6	-165.9	77.8	85.5	5.6	111.3	L82 G83 N84 S95 F96 K97 D107 Q109	L82-R86 HydrophobicContact CB-CB 4.28Å; L82-R86 PolarHBondContact N-O 2.98Å; G83-R86 PolarHBondContact O-N 3.17Å; N84-R86 PolarHBondContact O-N 2.86Å; R86-S95 PolarHBondContact NE-OG 3.48Å; R86-S95 VanDerWaalsContact NE-OG 3.07Å; R86-S95 VanDerWaalsContact NH2-C 3.28Å; R86-S95 PolarHBondContact NH2-O 2.87Å; R86-S95 PolarHBondContact NH2-OG 2.92Å; R86-F96 CarbonylContact C-O 3.51Å; R86-F96 WeakPolarHBondContact CA-O 3.26Å; R86-K97 HydrophobicContact CG-CG 4.11Å; R86-D107 IonicContact CZ-OD2 3.69Å; R86-D107 IonicContact NH1-OD2 3.07Å; R86-D107 PolarHBondContact NH1-OD2 2.99Å; R86-D107 PolarHBondContact NH2-O 3.39Å; R86-Q109 VanDerWaalsContact NH2-CG 3.35Å
87	F	98.4	Very high	96.5	Very high	3 Å²	3	41 Å²	41	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.9	176.4	-70.3	-91.6	0	0	0	110.9	M59 I76 G80 D81 S95 F96 F98 H100	M59-F87 HydrophobicContact CG-CE1 4Å; M59-F87 HydrophobicContact CG-CZ 4.19Å; M59-F87 HydrophobicContact SD-CE1 3.95Å; M59-F87 HydrophobicContact SD-CZ 4.14Å; I76-F87 HydrophobicContact CD1-CB 4.1Å; I76-F87 HydrophobicContact CD1-CD1 4.22Å; I76-F87 HydrophobicContact CD1-CD2 4.08Å; I76-F87 HydrophobicContact CD1-CG 3.85Å; I76-F87 HydrophobicContact CG2-CD1 4.09Å; I76-F87 HydrophobicContact CG2-CE1 3.69Å; I76-F87 HydrophobicContact CG2-CE2 4.29Å; I76-F87 HydrophobicContact CG2-CZ 3.81Å; G80-F87 CarbonylContact O-C 3.33Å; G80-F87 VanDerWaalsContact O-CA 3.23Å; G80-F87 WeakPolarHBondContact O-CA 3.35Å; D81-F87 HydrophobicContact CB-CD1 4.34Å; D81-F87 HydrophobicContact CB-CE1 3.86Å; F87-S95 CarbonylContact O-C 3.47Å; F87-S95 WeakPolarHBondContact O-CA 3.28Å; F87-F96 HydrophobicContact CB-CE1 4.02Å; F87-F96 HydrophobicContact CB-CE2 4.09Å; F87-F96 HydrophobicContact CB-CZ 3.69Å; F87-F96 PolarHBondContact N-O 2.76Å; F87-F96 WeakPolarHBondContact O-CD1 3.46Å; F87-F96 WeakPolarHBondContact O-CE1 3.42Å; F87-F96 PolarHBondContact O-N 2.94Å; F87-F98 HydrophobicContact CD2-CB 3.54Å; F87-F98 HydrophobicContact CD2-CG 4.34Å; F87-F98 HydrophobicContact CE2-CB 3.85Å; F87-F98 HydrophobicContact CE2-CD1 4.18Å; F87-F98 HydrophobicContact CE2-CG 4.43Å; F87-H100 AromaticContact CE2-CE1 3.65Å; F87-H100 AromaticContact CE2-NE2 3.67Å; F87-H100 AromaticContact CZ-CE1 3.6Å; F87-H100 AromaticContact CZ-NE2 3.82Å
88	L	97.9	Very high	96.5	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.063	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.6	176.4	-177.4	67.5	0	0	0	110.7	G80 L82 P90 E111 V113	G80-L88 PolarHBondContact O-N 2.82Å; L82-L88 HydrophobicContact CD1-CB 4.14Å; L82-L88 HydrophobicContact CD2-CB 4.31Å; L82-L88 HydrophobicContact CG-CB 4.23Å; L88-P90 HydrophobicContact CD2-CB 4.32Å; L88-P90 HydrophobicContact CG-CB 4.44Å; L88-P90 WeakPolarHBondContact O-CD 3.34Å; L88-E111 HydrophobicContact CD1-CB 4.26Å; L88-E111 HydrophobicContact CD1-CG 3.97Å; L88-V113 HydrophobicContact CD1-CG2 3.86Å; L88-V113 HydrophobicContact CD2-CB 4.04Å; L88-V113 HydrophobicContact CD2-CG2 3.93Å
89	D	97.8	Very high	96.4	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	98	158.1	-177.6	-19.8	0	0	0	108.8	I67 V74 R91 N92 K93 I94 F96	I67-D89 HydrophobicContact CD1-CB 4.29Å; V74-D89 HydrophobicContact CB-CB 4.35Å; V74-D89 HydrophobicContact CG1-CB 4.49Å; V74-D89 HydrophobicContact CG2-CB 4.01Å; D89-R91 VanDerWaalsContact C-N 3.25Å; D89-R91 PolarHBondContact O-N 2.8Å; D89-R91 WeakPolarHBondContact OD1-CB 3.48Å; D89-R91 PolarHBondContact OD1-N 2.92Å; D89-N92 PolarHBondContact OD1-N 2.97Å; D89-N92 PolarHBondContact OD2-ND2 2.8Å; D89-K93 PolarHBondContact O-N 2.79Å; D89-I94 HydrophobicContact CB-CD1 4.44Å; D89-I94 HydrophobicContact CB-CG1 3.77Å; D89-I94 PolarHBondContact N-O 3.48Å; D89-I94 PolarHBondContact O-N 2.91Å; D89-F96 HydrophobicContact CB-CD1 4.41Å; D89-F96 HydrophobicContact CB-CE1 4.13Å
90	P	96.6	Very high	96.1	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.026	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.8	-175.5	29.1	-35.1	0	0	0	112.9	L88 R121 T142 V143 Y144	L88-P90 HydrophobicContact CD2-CB 4.32Å; L88-P90 HydrophobicContact CG-CB 4.44Å; L88-P90 WeakPolarHBondContact O-CD 3.34Å; P90-R121 PolarHBondContact O-NH2 2.57Å; P90-R121 VanDerWaalsContact O-NH2 3.14Å; P90-T142 HydrophobicContact CG-CG2 3.66Å; P90-V143 WeakPolarHBondContact CG-O 3.49Å; P90-Y144 HydrophobicContact CG-CD1 3.89Å; P90-Y144 HydrophobicContact CG-CE1 4.14Å
91	R	95.4	Very high	95.6	Very high	44 Å²	44	43.9 Å²	43.9	17%	0.166	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-48.2	178.6	-177.8	-179.5	-62.1	141.6	16.7	110.1	D72 D89 D125 R129 C141	D72-R91 VanDerWaalsContact CB-NH1 3.35Å; D72-R91 VanDerWaalsContact CG-NH1 3.32Å; D72-R91 WeakPolarHBondContact OD2-CD 3.45Å; D72-R91 IonicContact OD2-CZ 3.95Å; D72-R91 IonicContact OD2-NE 2.86Å; D72-R91 IonicContact OD2-NH1 3.44Å; D72-R91 PolarHBondContact OD2-NH1 2.89Å; D89-R91 VanDerWaalsContact C-N 3.25Å; D89-R91 PolarHBondContact O-N 2.8Å; D89-R91 WeakPolarHBondContact OD1-CB 3.48Å; D89-R91 PolarHBondContact OD1-N 2.92Å; R91-D125 IonicContact CZ-OD1 3.78Å; R91-D125 IonicContact CZ-OD2 2.9Å; R91-D125 IonicContact NE-OD1 3.9Å; R91-D125 PolarHBondContact NE-OD1 2.59Å; R91-D125 IonicContact NE-OD2 3.53Å; R91-D125 PolarHBondContact NE-OD2 3.47Å; R91-D125 IonicContact NH2-OD1 2.83Å; R91-D125 PolarHBondContact NH2-OD1 3.42Å; R91-D125 IonicContact NH2-OD2 2.83Å; R91-R129 VanDerWaalsContact CZ-CD 3.45Å; R91-C141 PolarHBondContact NH2-O 3.27Å
92	N	95.9	Very high	95.3	Very high	49 Å²	49	48.1 Å²	48.1	26%	0.262	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6	-177.5	-66.6	-51.3	0	0	0	113.5	Y70 D89 I94	Y70-N92 HydrophobicContact CD1-CB 3.62Å; Y70-N92 WeakPolarHBondContact CD1-OD1 3.34Å; Y70-N92 HydrophobicContact CE1-CB 3.65Å; D89-N92 PolarHBondContact OD1-N 2.97Å; D89-N92 PolarHBondContact OD2-ND2 2.8Å; N92-I94 VanDerWaalsContact C-N 3.34Å; N92-I94 HydrophobicContact CB-CD1 4.18Å; N92-I94 HydrophobicContact CB-CG1 4.07Å
93	K	95.8	Very high	95.2	Very high	66 Å²	66	47.7 Å²	47.7	29%	0.287	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	46.8	177.7	-58.4	169.7	-177.8	163	0	111.3	D89 E111 E122	D89-K93 PolarHBondContact O-N 2.79Å; K93-E111 CarbonylContact C-O 3.54Å; K93-E111 VanDerWaalsContact CA-O 3.29Å; K93-E111 WeakPolarHBondContact CA-O 3.33Å; K93-E111 PolarHBondContact O-N 2.84Å; K93-E122 WeakPolarHBondContact CE-OE1 3.22Å; K93-E122 IonicContact NZ-OE1 3.65Å; K93-E122 PolarHBondContact NZ-OE1 2.81Å
94	I	97.2	Very high	95.3	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.1	178.1	62.9	177.3	0	0	0	110.6	I67 Y70 D89 N92 P108 Q109 E111	I67-I94 HydrophobicContact CD1-CD1 3.81Å; I67-I94 HydrophobicContact CG2-CD1 4.38Å; Y70-I94 HydrophobicContact CD1-CD1 4.49Å; Y70-I94 HydrophobicContact CD2-CD1 3.97Å; Y70-I94 HydrophobicContact CE1-CD1 4.04Å; Y70-I94 HydrophobicContact CE2-CD1 3.48Å; Y70-I94 VanDerWaalsContact CE2-CD1 3.48Å; Y70-I94 HydrophobicContact CG-CD1 4.45Å; Y70-I94 WeakPolarHBondContact OH-CG2 3.16Å; D89-I94 HydrophobicContact CB-CD1 4.44Å; D89-I94 HydrophobicContact CB-CG1 3.77Å; D89-I94 PolarHBondContact N-O 3.48Å; D89-I94 PolarHBondContact O-N 2.91Å; N92-I94 VanDerWaalsContact C-N 3.34Å; N92-I94 HydrophobicContact CB-CD1 4.18Å; N92-I94 HydrophobicContact CB-CG1 4.07Å; I94-P108 HydrophobicContact CD1-CB 4.06Å; I94-Q109 CarbonylContact C-O 2.96Å; I94-Q109 WeakPolarHBondContact CA-O 3.48Å; I94-Q109 WeakPolarHBondContact CB-O 3.48Å; I94-E111 PolarHBondContact N-O 2.9Å
95	S	97.9	Very high	95.6	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	154.4	157.4	69.3	0	0	0	0	109.7	R86 F87 P108 Q109	R86-S95 PolarHBondContact NE-OG 3.48Å; R86-S95 VanDerWaalsContact NE-OG 3.07Å; R86-S95 VanDerWaalsContact NH2-C 3.28Å; R86-S95 PolarHBondContact NH2-O 2.87Å; R86-S95 PolarHBondContact NH2-OG 2.92Å; F87-S95 CarbonylContact O-C 3.47Å; F87-S95 WeakPolarHBondContact O-CA 3.28Å; S95-P108 CarbonylContact O-C 3.56Å; S95-P108 VanDerWaalsContact O-CA 3.31Å; S95-P108 WeakPolarHBondContact O-CA 3.36Å; S95-Q109 PolarHBondContact N-O 2.75Å; S95-Q109 PolarHBondContact O-N 3.47Å
96	F	98.3	Very high	95.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.6	176.5	60	-83.6	0	0	0	110	V65 I67 V74 I76 R86 F87 D89 F98 A105	V65-F96 HydrophobicContact CG1-CE2 3.86Å; V65-F96 HydrophobicContact CG1-CZ 3.93Å; I67-F96 HydrophobicContact CD1-CB 4.44Å; I67-F96 HydrophobicContact CD1-CD1 3.39Å; I67-F96 HydrophobicContact CD1-CD2 4.41Å; I67-F96 HydrophobicContact CD1-CE1 3.64Å; I67-F96 HydrophobicContact CD1-CG 3.83Å; I67-F96 HydrophobicContact CD1-CZ 4.23Å; I67-F96 HydrophobicContact CG1-CD1 4.34Å; I67-F96 HydrophobicContact CG1-CG 4.36Å; V74-F96 HydrophobicContact CG1-CE1 3.66Å; V74-F96 HydrophobicContact CG1-CZ 3.52Å; I76-F96 HydrophobicContact CD1-CE2 3.86Å; I76-F96 HydrophobicContact CD1-CZ 3.77Å; R86-F96 CarbonylContact C-O 3.51Å; R86-F96 WeakPolarHBondContact CA-O 3.26Å; F87-F96 HydrophobicContact CB-CE1 4.02Å; F87-F96 HydrophobicContact CB-CE2 4.09Å; F87-F96 HydrophobicContact CB-CZ 3.69Å; F87-F96 PolarHBondContact N-O 2.76Å; F87-F96 WeakPolarHBondContact O-CD1 3.46Å; F87-F96 WeakPolarHBondContact O-CE1 3.42Å; F87-F96 PolarHBondContact O-N 2.94Å; D89-F96 HydrophobicContact CB-CD1 4.41Å; D89-F96 HydrophobicContact CB-CE1 4.13Å; F96-F98 HydrophobicContact CE2-CB 4.17Å; F96-F98 HydrophobicContact CE2-CD2 4.39Å; F96-A105 HydrophobicContact CD2-CB 3.5Å; F96-A105 HydrophobicContact CE2-CB 3.85Å; F96-A105 HydrophobicContact CG-CB 4.34Å
97	K	98.1	Very high	95.8	Very high	100 Å²	100	45.6 Å²	45.6	44%	0.435	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.4	169.8	-68.9	-171.7	-179.8	-179.4	0	110.1	S85 R86 A105 S106 D107	S85-K97 WeakPolarHBondContact O-CA 3.49Å; R86-K97 HydrophobicContact CG-CG 4.11Å; K97-A105 CarbonylContact O-C 3.39Å; K97-A105 WeakPolarHBondContact O-CA 3.44Å; K97-S106 PolarHBondContact N-O 2.92Å; K97-S106 PolarHBondContact O-N 2.95Å; K97-D107 HydrophobicContact CD-CB 4.42Å; K97-D107 WeakPolarHBondContact CE-OD2 3.31Å; K97-D107 HydrophobicContact CG-CB 4.36Å
98	F	97.8	Very high	95.8	Very high	4 Å²	4	48 Å²	48	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120	174.5	-174.3	-110.4	0	0	0	110.8	N58 V65 I76 S85 F87 F96 H100 K103	N58-F98 HydrophobicContact CB-CE1 4.1Å; V65-F98 HydrophobicContact CB-CD2 4.34Å; V65-F98 HydrophobicContact CB-CE2 3.88Å; V65-F98 HydrophobicContact CG1-CD2 4.32Å; V65-F98 HydrophobicContact CG1-CE2 4.28Å; V65-F98 HydrophobicContact CG2-CD2 4.05Å; V65-F98 HydrophobicContact CG2-CE2 3.73Å; I76-F98 HydrophobicContact CD1-CB 4.24Å; I76-F98 HydrophobicContact CD1-CD1 4.1Å; I76-F98 HydrophobicContact CD1-CD2 3.85Å; I76-F98 HydrophobicContact CD1-CE1 4.43Å; I76-F98 HydrophobicContact CD1-CE2 4.2Å; I76-F98 HydrophobicContact CD1-CG 3.79Å; I76-F98 HydrophobicContact CD1-CZ 4.47Å; I76-F98 HydrophobicContact CG1-CD1 4.09Å; I76-F98 HydrophobicContact CG1-CD2 4.08Å; I76-F98 HydrophobicContact CG1-CE1 3.91Å; I76-F98 HydrophobicContact CG1-CE2 3.91Å; I76-F98 HydrophobicContact CG1-CG 4.16Å; I76-F98 HydrophobicContact CG1-CZ 3.82Å; I76-F98 HydrophobicContact CG2-CD1 4.25Å; I76-F98 HydrophobicContact CG2-CE1 4.19Å; S85-F98 PolarHBondContact O-N 2.95Å; F87-F98 HydrophobicContact CD2-CB 3.54Å; F87-F98 HydrophobicContact CD2-CG 4.34Å; F87-F98 HydrophobicContact CE2-CB 3.85Å; F87-F98 HydrophobicContact CE2-CD1 4.18Å; F87-F98 HydrophobicContact CE2-CG 4.43Å; F96-F98 HydrophobicContact CE2-CB 4.17Å; F96-F98 HydrophobicContact CE2-CD2 4.39Å; F98-H100 AromaticContact CD1-CE1 3.51Å; F98-H100 AromaticContact CD1-CG 3.9Å; F98-H100 AromaticContact CD1-ND1 3.31Å; F98-H100 VanDerWaalsContact CD1-ND1 3.31Å; F98-H100 WeakPolarHBondContact CD1-ND1 3.41Å; F98-H100 AromaticContact CE1-CE1 3.92Å; F98-H100 AromaticContact CE1-ND1 3.34Å; F98-H100 VanDerWaalsContact CE1-ND1 3.34Å; F98-H100 WeakPolarHBondContact CE1-ND1 3.23Å; F98-H100 PolarHBondContact O-N 2.85Å; F98-K103 HydrophobicContact CE2-CB 4.45Å; F98-K103 HydrophobicContact CZ-CB 4.12Å; F98-K103 HydrophobicContact CZ-CG 4.38Å
99	D	94.6	Very high	95.7	Very high	66 Å²	66	51.7 Å²	51.7	35%	0.353	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	105.9	171.1	-175.2	-38.1	0	0	0	108.7	L101 R102 K103 E104	D99-L101 PolarHBondContact O-N 2.88Å; D99-L101 WeakPolarHBondContact OD1-CA 3.34Å; D99-L101 WeakPolarHBondContact OD1-CB 3.33Å; D99-L101 PolarHBondContact OD1-N 3.28Å; D99-R102 HydrophobicContact CB-CB 4.17Å; D99-R102 PolarHBondContact O-N 3.25Å; D99-R102 PolarHBondContact OD1-N 3.4Å; D99-R102 VanDerWaalsContact OD2-CD 3.3Å; D99-R102 WeakPolarHBondContact OD2-CD 3.47Å; D99-K103 WeakPolarHBondContact O-CA 3.49Å; D99-K103 PolarHBondContact O-N 2.81Å; D99-E104 PolarHBondContact N-O 2.98Å; D99-E104 PolarHBondContact O-N 2.99Å
100	H	92.4	Very high	95.7	Very high	26 Å²	26	56.9 Å²	56.9	12%	0.12	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.9	-177.3	-72	-69.6	0	0	0	114.7	F54 A55 N58 F87 F98	F54-H100 HydrophobicContact CB-CB 3.76Å; A55-H100 WeakPolarHBondContact CA-ND1 3.46Å; N58-H100 WeakPolarHBondContact ND2-CB 3.48Å; N58-H100 PolarHBondContact ND2-ND1 2.87Å; N58-H100 PolarHBondContact ND2-O 3.47Å; F87-H100 AromaticContact CE2-CE1 3.65Å; F87-H100 AromaticContact CE2-NE2 3.67Å; F87-H100 AromaticContact CZ-CE1 3.6Å; F87-H100 AromaticContact CZ-NE2 3.82Å; F98-H100 AromaticContact CD1-CE1 3.51Å; F98-H100 AromaticContact CD1-CG 3.9Å; F98-H100 AromaticContact CD1-ND1 3.31Å; F98-H100 VanDerWaalsContact CD1-ND1 3.31Å; F98-H100 WeakPolarHBondContact CD1-ND1 3.41Å; F98-H100 AromaticContact CE1-CE1 3.92Å; F98-H100 AromaticContact CE1-ND1 3.34Å; F98-H100 VanDerWaalsContact CE1-ND1 3.34Å; F98-H100 WeakPolarHBondContact CE1-ND1 3.23Å; F98-H100 PolarHBondContact O-N 2.85Å
101	L	86.2	Confident	95.6	Very high	91 Å²	91	60.5 Å²	60.5	48%	0.476	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-47.6	178.3	-178.4	66.5	0	0	0	110.4	F33 F54 D99	F33-L101 HydrophobicContact CE1-CD1 4Å; F33-L101 HydrophobicContact CZ-CD1 4.03Å; F54-L101 HydrophobicContact CD1-CD1 4.13Å; F54-L101 HydrophobicContact CE1-CD1 3.71Å; F54-L101 HydrophobicContact CZ-CD1 4.32Å; D99-L101 PolarHBondContact O-N 2.88Å; D99-L101 WeakPolarHBondContact OD1-CA 3.34Å; D99-L101 WeakPolarHBondContact OD1-CB 3.33Å; D99-L101 PolarHBondContact OD1-N 3.28Å
102	R	89.5	Confident	95.1	Very high	159 Å²	159	63.7 Å²	63.7	60%	0.6	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-19.2	-179.1	-60.1	178.6	66.7	135.6	4.6	112.9	D99 E104	D99-R102 HydrophobicContact CB-CB 4.17Å; D99-R102 PolarHBondContact O-N 3.25Å; D99-R102 PolarHBondContact OD1-N 3.4Å; D99-R102 VanDerWaalsContact OD2-CD 3.3Å; D99-R102 WeakPolarHBondContact OD2-CD 3.47Å; R102-E104 VanDerWaalsContact C-N 3.26Å; R102-E104 HydrophobicContact CB-CB 4.25Å; R102-E104 HydrophobicContact CB-CG 4.06Å; R102-E104 IonicContact CZ-OE2 3.73Å; R102-E104 IonicContact NE-OE1 2.74Å; R102-E104 IonicContact NE-OE2 3.92Å; R102-E104 PolarHBondContact NE-OE2 3.45Å; R102-E104 IonicContact NH2-OE1 2.97Å; R102-E104 IonicContact NH2-OE2 2.73Å; R102-E104 PolarHBondContact NH2-OE2 2.79Å; R102-E104 PolarHBondContact O-N 2.92Å
103	K	93.6	Very high	94.5	Very high	65 Å²	65	64.7 Å²	64.7	28%	0.283	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	39.8	-172.2	-57.8	178.9	179.9	176.7	0	112.2	N58 F98 D99	N58-K103 WeakPolarHBondContact OD1-CE 3.38Å; F98-K103 HydrophobicContact CE2-CB 4.45Å; F98-K103 HydrophobicContact CZ-CB 4.12Å; F98-K103 HydrophobicContact CZ-CG 4.38Å; D99-K103 WeakPolarHBondContact O-CA 3.49Å; D99-K103 PolarHBondContact O-N 2.81Å
104	E	95.6	Very high	93.6	Very high	100 Å²	100	62 Å²	62	47%	0.467	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.1	-177.2	-72.3	172.1	170	0	0	110.3	D99 R102	D99-E104 PolarHBondContact N-O 2.98Å; D99-E104 PolarHBondContact O-N 2.99Å; R102-E104 VanDerWaalsContact C-N 3.26Å; R102-E104 HydrophobicContact CB-CB 4.25Å; R102-E104 HydrophobicContact CB-CG 4.06Å; R102-E104 IonicContact CZ-OE2 3.73Å; R102-E104 IonicContact NE-OE1 2.74Å; R102-E104 IonicContact NE-OE2 3.92Å; R102-E104 PolarHBondContact NE-OE2 3.45Å; R102-E104 IonicContact NH2-OE1 2.97Å; R102-E104 IonicContact NH2-OE2 2.73Å; R102-E104 PolarHBondContact NH2-OE2 2.79Å; R102-E104 PolarHBondContact O-N 2.92Å
105	A	97.7	Very high	93	Very high	22 Å²	22	64.7 Å²	64.7	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143	172.1	0	0	0	0	0	110.8	V65 I67 F96 K97	V65-A105 HydrophobicContact CG1-CB 4.47Å; V65-A105 HydrophobicContact CG2-CB 3.69Å; I67-A105 HydrophobicContact CG1-CB 3.94Å; F96-A105 HydrophobicContact CD2-CB 3.5Å; F96-A105 HydrophobicContact CE2-CB 3.85Å; F96-A105 HydrophobicContact CG-CB 4.34Å; K97-A105 CarbonylContact O-C 3.39Å; K97-A105 WeakPolarHBondContact O-CA 3.44Å
106	S	97.8	Very high	92.4	Very high	63 Å²	63	67.7 Å²	67.7	44%	0.441	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	170.1	178.9	62	0	0	0	0	112.1	K97	K97-S106 PolarHBondContact N-O 2.92Å; K97-S106 PolarHBondContact O-N 2.95Å
107	D	97.3	Very high	92.1	Very high	68 Å²	68	67.9 Å²	67.9	36%	0.364	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.7	58.2	173.6	-178.7	37.3	0	0	0	113.6	R86 K97 Q109	R86-D107 IonicContact CZ-OD2 3.69Å; R86-D107 IonicContact NH1-OD2 3.07Å; R86-D107 PolarHBondContact NH1-OD2 2.99Å; R86-D107 PolarHBondContact NH2-O 3.39Å; K97-D107 HydrophobicContact CD-CB 4.42Å; K97-D107 WeakPolarHBondContact CE-OD2 3.31Å; K97-D107 HydrophobicContact CG-CB 4.36Å; D107-Q109 PolarHBondContact OD1-NE2 3.45Å
108	P	97.6	Very high	91.8	Very high	55 Å²	55	66.4 Å²	66.4	36%	0.357	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	133.2	176.4	29.9	-34.3	0	0	0	110.5	I67 Y70 I94 S95	I67-P108 HydrophobicContact CG2-CB 4.4Å; Y70-P108 HydrophobicContact CE2-CB 4.44Å; I94-P108 HydrophobicContact CD1-CB 4.06Å; S95-P108 CarbonylContact O-C 3.56Å; S95-P108 VanDerWaalsContact O-CA 3.31Å; S95-P108 WeakPolarHBondContact O-CA 3.36Å
109	Q	96.9	Very high	91.7	Very high	89 Å²	89	68.5 Å²	68.5	42%	0.416	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140	179.7	-62.7	-63.7	-27.7	0	0	109.3	R86 I94 S95 D107 E111	R86-Q109 VanDerWaalsContact NH2-CG 3.35Å; I94-Q109 CarbonylContact C-O 2.96Å; I94-Q109 WeakPolarHBondContact CA-O 3.48Å; I94-Q109 WeakPolarHBondContact CB-O 3.48Å; S95-Q109 PolarHBondContact N-O 2.75Å; S95-Q109 PolarHBondContact O-N 3.47Å; D107-Q109 PolarHBondContact OD1-NE2 3.45Å; Q109-E111 PolarHBondContact O-N 2.92Å
110	P	96.8	Very high	91.7	Very high	113 Å²	113	67 Å²	67	73%	0.734	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	130.5	174.6	-23.8	34	0	0	0	111.6
111	E	94.3	Very high	91.8	Very high	81 Å²	81	65.9 Å²	65.9	38%	0.379	37%	0.373	S	S	.	.			trans	-151.9	127.4	-179.2	-170.6	69.6	-143.8	0	0	109.4	L82 L88 K93 I94 Q109 V113	L82-E111 HydrophobicContact CD1-CG 4.27Å; L88-E111 HydrophobicContact CD1-CB 4.26Å; L88-E111 HydrophobicContact CD1-CG 3.97Å; K93-E111 CarbonylContact C-O 3.54Å; K93-E111 VanDerWaalsContact CA-O 3.29Å; K93-E111 WeakPolarHBondContact CA-O 3.33Å; K93-E111 PolarHBondContact O-N 2.84Å; I94-E111 PolarHBondContact N-O 2.9Å; Q109-E111 PolarHBondContact O-N 2.92Å; E111-V113 HydrophobicContact CG-CG2 3.93Å
112	E	86.3	Confident	92.3	Very high	111 Å²	111	65 Å²	65	52%	0.519	37%	0.367	S	S	.	.			trans	-131.3	113	179.7	-170.3	169.5	-158.9	0	0	110.4	K118	E112-K118 WeakPolarHBondContact OE1-CD 3.44Å; E112-K118 WeakPolarHBondContact OE1-CE 3.5Å; E112-K118 IonicContact OE1-NZ 3.42Å; E112-K118 PolarHBondContact OE1-NZ 2.94Å
113	V	82.1	Confident	92.6	Very high	70 Å²	70	59.2 Å²	59.2	42%	0.424	35%	0.35	S	S	.	.			trans	-114.9	-6.9	-172.2	-166.2	0	0	0	0	112.4	L88 E111 G115	L88-V113 HydrophobicContact CD1-CG2 3.86Å; L88-V113 HydrophobicContact CD2-CB 4.04Å; L88-V113 HydrophobicContact CD2-CG2 3.93Å; E111-V113 HydrophobicContact CG-CG2 3.93Å; V113-G115 VanDerWaalsContact C-N 3.27Å; V113-G115 PolarHBondContact O-N 3.25Å
114	D	78.3	Confident	92.8	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.043	34%	0.337	C	S	.	.			trans	-65.8	-24.2	-169.1	-66.5	-15.3	0	0	0	114.6	G116 L117 K118 R121	D114-G116 PolarHBondContact O-N 3.19Å; D114-L117 PolarHBondContact O-N 3.4Å; D114-K118 HydrophobicContact CB-CB 3.86Å; D114-K118 HydrophobicContact CB-CG 4.37Å; D114-R121 VanDerWaalsContact OD1-CD 3.28Å; D114-R121 WeakPolarHBondContact OD1-CD 3.35Å; D114-R121 IonicContact OD1-NE 3.88Å; D114-R121 PolarHBondContact OD1-NE 3.25Å; D114-R121 IonicContact OD2-CZ 2.8Å; D114-R121 IonicContact OD2-NE 3.71Å; D114-R121 PolarHBondContact OD2-NE 2.86Å; D114-R121 IonicContact OD2-NH2 3.62Å
115	G	83.4	Confident	92.9	Very high	64 Å²	64	51.9 Å²	51.9	66%	0.66	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	50.4	-129	-178.2	0	0	0	0	0	112.8	V113 L117	V113-G115 VanDerWaalsContact C-N 3.27Å; V113-G115 PolarHBondContact O-N 3.25Å; G115-L117 VanDerWaalsContact C-N 3.27Å; G115-L117 PolarHBondContact O-N 3.27Å
116	G	85.6	Confident	92.9	Very high	67 Å²	67	54.8 Å²	54.8	69%	0.691	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-74.9	-7	178.8	0	0	0	0	0	115.4	D114	D114-G116 PolarHBondContact O-N 3.19Å
117	L	91.5	Very high	93	Very high	4 Å²	4	53 Å²	53	2%	0.021	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-97.1	5	-177.2	-75.6	169.3	0	0	0	113.8	D114 G115 S119 W120 R121 A145 Q152 I154 I181	D114-L117 PolarHBondContact O-N 3.4Å; G115-L117 VanDerWaalsContact C-N 3.27Å; G115-L117 PolarHBondContact O-N 3.27Å; L117-S119 PolarHBondContact O-N 3Å; L117-W120 HydrophobicContact CD2-CB 4.3Å; L117-W120 HydrophobicContact CD2-CG 4.27Å; L117-W120 WeakPolarHBondContact O-CB 3.37Å; L117-W120 PolarHBondContact O-N 2.82Å; L117-R121 WeakPolarHBondContact O-CB 3.23Å; L117-R121 PolarHBondContact O-N 3.23Å; L117-A145 HydrophobicContact CB-CB 3.68Å; L117-A145 HydrophobicContact CD1-CB 4.17Å; L117-Q152 HydrophobicContact CD1-CB 3.76Å; L117-Q152 HydrophobicContact CD1-CG 3.92Å; L117-Q152 HydrophobicContact CD2-CB 3.84Å; L117-Q152 HydrophobicContact CD2-CG 4.14Å; L117-Q152 HydrophobicContact CG-CB 4.16Å; L117-Q152 HydrophobicContact CG-CG 4.1Å; L117-I154 HydrophobicContact CB-CD1 4.24Å; L117-I154 HydrophobicContact CD1-CD1 4.5Å; L117-I154 HydrophobicContact CD2-CD1 4.35Å; L117-I181 HydrophobicContact CD2-CD1 3.79Å
118	K	93.2	Very high	93	Very high	68 Å²	68	49.8 Å²	49.8	30%	0.296	31%	0.308	S	S	.	.	H	α-helix	trans	-53.3	-48.6	-177	-177.8	174.3	176	169.5	0	113.6	E112 D114 W120 R121 E122	E112-K118 WeakPolarHBondContact OE1-CD 3.44Å; E112-K118 WeakPolarHBondContact OE1-CE 3.5Å; E112-K118 IonicContact OE1-NZ 3.42Å; E112-K118 PolarHBondContact OE1-NZ 2.94Å; D114-K118 HydrophobicContact CB-CB 3.86Å; D114-K118 HydrophobicContact CB-CG 4.37Å; K118-W120 VanDerWaalsContact C-N 3.34Å; K118-W120 PolarHBondContact O-N 3.07Å; K118-R121 PolarHBondContact O-N 3.48Å; K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 HydrophobicContact CG-CG 4.45Å; K118-E122 WeakPolarHBondContact O-CB 3.28Å; K118-E122 WeakPolarHBondContact O-CG 3.28Å; K118-E122 PolarHBondContact O-N 3.36Å
119	S	94.1	Very high	93	Very high	49 Å²	49	51.9 Å²	51.9	34%	0.343	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-40.4	-179.7	57.6	0	0	0	0	112.4	L117 S123 E221	L117-S119 PolarHBondContact O-N 3Å; S119-S123 WeakPolarHBondContact O-CB 3.32Å; S119-S123 PolarHBondContact O-N 2.79Å; S119-S123 PolarHBondContact O-OG 3.35Å; S119-E221 PolarHBondContact OG-OE1 3.13Å
120	W	94.7	Very high	93.1	Very high	33 Å²	33	50 Å²	50	13%	0.125	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-50.7	175.5	-73.3	92.8	0	0	0	111.4	L117 K118 S123 C124 I154 F179 I181 V218 E221 T224	L117-W120 HydrophobicContact CD2-CB 4.3Å; L117-W120 HydrophobicContact CD2-CG 4.27Å; L117-W120 WeakPolarHBondContact O-CB 3.37Å; L117-W120 PolarHBondContact O-N 2.82Å; K118-W120 VanDerWaalsContact C-N 3.34Å; K118-W120 PolarHBondContact O-N 3.07Å; W120-S123 PolarHBondContact O-N 2.9Å; W120-C124 WeakPolarHBondContact O-CB 3.21Å; W120-C124 PolarHBondContact O-N 2.96Å; W120-C124 PolarHBondContact O-SG 3.08Å; W120-C124 VanDerWaalsContact O-SG 3.39Å; W120-I154 HydrophobicContact CB-CD1 4.05Å; W120-I154 HydrophobicContact CB-CG1 4.33Å; W120-F179 HydrophobicContact CE3-CE1 4.22Å; W120-F179 HydrophobicContact CZ3-CE1 4.37Å; W120-F179 HydrophobicContact CZ3-CZ 4.49Å; W120-I181 HydrophobicContact CB-CD1 4.5Å; W120-I181 HydrophobicContact CD2-CD1 3.8Å; W120-I181 HydrophobicContact CE3-CD1 3.96Å; W120-I181 HydrophobicContact CG-CD1 4.03Å; W120-V218 HydrophobicContact CH2-CG1 3.43Å; W120-V218 VanDerWaalsContact CH2-CG1 3.43Å; W120-V218 HydrophobicContact CZ2-CG1 3.98Å; W120-V218 HydrophobicContact CZ3-CG1 4.23Å; W120-E221 HydrophobicContact CD2-CB 4.27Å; W120-E221 HydrophobicContact CD2-CG 3.59Å; W120-E221 VanDerWaalsContact CE2-CG 3.48Å; W120-E221 HydrophobicContact CE3-CB 4.32Å; W120-E221 HydrophobicContact CE3-CG 4.12Å; W120-E221 HydrophobicContact CG-CG 3.83Å; W120-E221 HydrophobicContact CH2-CG 4.32Å; W120-E221 HydrophobicContact CZ2-CG 3.86Å; W120-E221 HydrophobicContact CZ3-CG 4.46Å; W120-T224 HydrophobicContact CH2-CG2 4.27Å; W120-T224 VanDerWaalsContact CZ3-CB 3.48Å; W120-T224 HydrophobicContact CZ3-CG2 3.58Å
121	R	96.3	Very high	93.2	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.011	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-47.8	179.7	-168.1	-152.7	61.7	67.3	-1.7	112	P90 D114 L117 K118 S123 C124 D125 V143 A145 I154	P90-R121 PolarHBondContact O-NH2 2.57Å; P90-R121 VanDerWaalsContact O-NH2 3.14Å; D114-R121 VanDerWaalsContact OD1-CD 3.28Å; D114-R121 WeakPolarHBondContact OD1-CD 3.35Å; D114-R121 IonicContact OD1-NE 3.88Å; D114-R121 PolarHBondContact OD1-NE 3.25Å; D114-R121 IonicContact OD2-CZ 2.8Å; D114-R121 IonicContact OD2-NE 3.71Å; D114-R121 PolarHBondContact OD2-NE 2.86Å; D114-R121 IonicContact OD2-NH2 3.62Å; L117-R121 WeakPolarHBondContact O-CB 3.23Å; L117-R121 PolarHBondContact O-N 3.23Å; K118-R121 PolarHBondContact O-N 3.48Å; R121-S123 VanDerWaalsContact C-N 3.32Å; R121-S123 PolarHBondContact O-N 2.96Å; R121-C124 PolarHBondContact O-N 3.35Å; R121-D125 VanDerWaalsContact O-CB 3.3Å; R121-D125 WeakPolarHBondContact O-CB 3.28Å; R121-D125 PolarHBondContact O-N 3.16Å; R121-V143 VanDerWaalsContact CD-O 3.29Å; R121-V143 WeakPolarHBondContact CD-O 3.1Å; R121-V143 HydrophobicContact CG-CB 4.39Å; R121-V143 HydrophobicContact CG-CG1 3.89Å; R121-V143 WeakPolarHBondContact CG-O 3.25Å; R121-A145 HydrophobicContact CB-CB 4.11Å; R121-A145 HydrophobicContact CG-CB 4.23Å; R121-I154 HydrophobicContact CB-CD1 4.08Å
122	E	95.9	Very high	93.4	Very high	74 Å²	74	41.5 Å²	41.5	35%	0.346	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-39.4	179.2	-74.1	178.1	170.9	0	0	111.5	K93 K118 S126	K93-E122 WeakPolarHBondContact CE-OE1 3.22Å; K93-E122 IonicContact NZ-OE1 3.65Å; K93-E122 PolarHBondContact NZ-OE1 2.81Å; K118-E122 WeakPolarHBondContact CE-OE1 3.47Å; K118-E122 HydrophobicContact CG-CG 4.45Å; K118-E122 WeakPolarHBondContact O-CB 3.28Å; K118-E122 WeakPolarHBondContact O-CG 3.28Å; K118-E122 PolarHBondContact O-N 3.36Å; E122-S126 WeakPolarHBondContact O-CB 3.45Å; E122-S126 PolarHBondContact O-N 3.37Å; E122-S126 VanDerWaalsContact O-N 3.08Å
123	S	96.7	Very high	93.9	Very high	36 Å²	36	44.4 Å²	44.4	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-45.5	176	-60.2	0	0	0	0	112.2	S119 W120 R121 A127	S119-S123 WeakPolarHBondContact O-CB 3.32Å; S119-S123 PolarHBondContact O-N 2.79Å; S119-S123 PolarHBondContact O-OG 3.35Å; W120-S123 PolarHBondContact O-N 2.9Å; R121-S123 VanDerWaalsContact C-N 3.32Å; R121-S123 PolarHBondContact O-N 2.96Å; S123-A127 PolarHBondContact O-N 3.07Å
124	C	97.4	Very high	94.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-43	176.2	-71.6	0	0	0	0	112.3	W120 R121 A127 L128 V143 I154	W120-C124 WeakPolarHBondContact O-CB 3.21Å; W120-C124 PolarHBondContact O-N 2.96Å; W120-C124 PolarHBondContact O-SG 3.08Å; W120-C124 VanDerWaalsContact O-SG 3.39Å; R121-C124 PolarHBondContact O-N 3.35Å; C124-A127 PolarHBondContact O-N 3.19Å; C124-L128 WeakPolarHBondContact O-CB 3.37Å; C124-L128 PolarHBondContact O-N 3.39Å; C124-V143 HydrophobicContact CB-CG1 4.17Å; C124-I154 HydrophobicContact CB-CG2 4.23Å
125	D	97.8	Very high	95.6	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.053	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-46	178.8	-175	64.3	0	0	0	111.7	R91 R121 L128 R129 V143	R91-D125 IonicContact CZ-OD1 3.78Å; R91-D125 IonicContact CZ-OD2 2.9Å; R91-D125 IonicContact NE-OD1 3.9Å; R91-D125 PolarHBondContact NE-OD1 2.59Å; R91-D125 IonicContact NE-OD2 3.53Å; R91-D125 PolarHBondContact NE-OD2 3.47Å; R91-D125 IonicContact NH2-OD1 2.83Å; R91-D125 PolarHBondContact NH2-OD1 3.42Å; R91-D125 IonicContact NH2-OD2 2.83Å; R121-D125 VanDerWaalsContact O-CB 3.3Å; R121-D125 WeakPolarHBondContact O-CB 3.28Å; R121-D125 PolarHBondContact O-N 3.16Å; D125-L128 PolarHBondContact O-N 3.37Å; D125-R129 WeakPolarHBondContact O-CB 3.35Å; D125-R129 VanDerWaalsContact O-CG 3.25Å; D125-R129 WeakPolarHBondContact O-CG 3.17Å; D125-R129 PolarHBondContact O-N 3.37Å; D125-V143 HydrophobicContact CB-CB 4.03Å; D125-V143 HydrophobicContact CB-CG2 4.02Å
126	S	97.8	Very high	96.3	Very high	83 Å²	83	48.9 Å²	48.9	58%	0.58	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-47.7	177.9	-174.3	0	0	0	0	112.1	E122 A130	E122-S126 WeakPolarHBondContact O-CB 3.45Å; E122-S126 PolarHBondContact O-N 3.37Å; E122-S126 VanDerWaalsContact O-N 3.08Å; S126-A130 PolarHBondContact O-N 2.84Å
127	A	98.2	Very high	96.7	Very high	26 Å²	26	50.5 Å²	50.5	22%	0.215	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-41.8	178.2	0	0	0	0	0	112	S123 C124 A130 Y131 A225 I229	S123-A127 PolarHBondContact O-N 3.07Å; C124-A127 PolarHBondContact O-N 3.19Å; A127-A130 PolarHBondContact O-N 3.45Å; A127-Y131 PolarHBondContact O-N 3.27Å; A127-Y131 VanDerWaalsContact O-N 3.14Å; A127-A225 HydrophobicContact CB-CB 4.41Å; A127-I229 HydrophobicContact CB-CG1 3.67Å
128	L	98.4	Very high	96.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-40.1	-179.8	-172.8	65.5	0	0	0	112.1	C124 D125 A130 Y131 V132 C141 V143 A156 I158 I229 I232	C124-L128 WeakPolarHBondContact O-CB 3.37Å; C124-L128 PolarHBondContact O-N 3.39Å; D125-L128 PolarHBondContact O-N 3.37Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 3.29Å; L128-Y131 HydrophobicContact CD1-CD1 4.08Å; L128-Y131 WeakPolarHBondContact O-CB 3.28Å; L128-Y131 PolarHBondContact O-N 3.18Å; L128-V132 HydrophobicContact CD1-CG2 4.3Å; L128-V132 HydrophobicContact CG-CG2 4.2Å; L128-V132 WeakPolarHBondContact O-CB 3.38Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.3Å; L128-V132 PolarHBondContact O-N 2.76Å; L128-C141 HydrophobicContact CD2-CB 3.77Å; L128-C141 HydrophobicContact CG-CB 4.16Å; L128-V143 HydrophobicContact CB-CG2 4.43Å; L128-V143 HydrophobicContact CD2-CG2 3.48Å; L128-V143 VanDerWaalsContact CD2-CG2 3.48Å; L128-A156 HydrophobicContact CD2-CB 3.67Å; L128-I158 HydrophobicContact CD1-CD1 3.75Å; L128-I158 HydrophobicContact CD1-CG1 4.15Å; L128-I158 HydrophobicContact CD2-CG1 4.33Å; L128-I229 HydrophobicContact CB-CD1 3.83Å; L128-I229 HydrophobicContact CD1-CD1 3.6Å; L128-I229 HydrophobicContact CG-CD1 4.33Å; L128-I232 HydrophobicContact CD1-CD1 4.07Å
129	R	97.9	Very high	96.9	Very high	99 Å²	99	52 Å²	52	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-41	177.6	-74.7	174.4	76.1	-169.8	-0.6	112.4	D72 R91 D125 V132 K133	D72-R129 VanDerWaalsContact CG-NH2 3.29Å; D72-R129 IonicContact OD1-CZ 3.91Å; D72-R129 IonicContact OD1-NH2 3.02Å; D72-R129 PolarHBondContact OD1-NH2 2.88Å; D72-R129 IonicContact OD2-CZ 3.1Å; D72-R129 IonicContact OD2-NE 3.66Å; D72-R129 IonicContact OD2-NH1 3.57Å; D72-R129 IonicContact OD2-NH2 2.79Å; D72-R129 PolarHBondContact OD2-NH2 2.85Å; R91-R129 VanDerWaalsContact CZ-CD 3.45Å; D125-R129 WeakPolarHBondContact O-CB 3.35Å; D125-R129 VanDerWaalsContact O-CG 3.25Å; D125-R129 WeakPolarHBondContact O-CG 3.17Å; D125-R129 PolarHBondContact O-N 3.37Å; R129-V132 PolarHBondContact O-N 3.3Å; R129-K133 WeakPolarHBondContact O-CB 3.2Å; R129-K133 PolarHBondContact O-N 2.8Å
130	A	98.1	Very high	97.1	Very high	51 Å²	51	52 Å²	52	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-49.3	175.3	0	0	0	0	0	110.5	S126 A127 L128 V132 K133 D134	S126-A130 PolarHBondContact O-N 2.84Å; A127-A130 PolarHBondContact O-N 3.45Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 3.29Å; A130-V132 PolarHBondContact O-N 2.94Å; A130-K133 PolarHBondContact O-N 2.94Å; A130-D134 VanDerWaalsContact O-CG 3.31Å; A130-D134 PolarHBondContact O-N 2.76Å; A130-D134 VanDerWaalsContact O-N 3.09Å
131	Y	98.6	Very high	97.3	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-55.2	-50.9	174.9	168.8	-100.7	0	0	0	112.8	A127 L128 K133 D134 H135 Y136 I158 I229 I232 E233 E236	A127-Y131 PolarHBondContact O-N 3.27Å; A127-Y131 VanDerWaalsContact O-N 3.14Å; L128-Y131 HydrophobicContact CD1-CD1 4.08Å; L128-Y131 WeakPolarHBondContact O-CB 3.28Å; L128-Y131 PolarHBondContact O-N 3.18Å; Y131-K133 VanDerWaalsContact C-N 3.31Å; Y131-K133 PolarHBondContact O-N 2.84Å; Y131-D134 PolarHBondContact O-N 3.08Å; Y131-D134 VanDerWaalsContact O-N 3.11Å; Y131-H135 AromaticContact CD2-CE1 3.4Å; Y131-H135 VanDerWaalsContact CD2-CE1 3.4Å; Y131-H135 WeakPolarHBondContact CD2-CE1 3.36Å; Y131-H135 AromaticContact CD2-CG 3.96Å; Y131-H135 AromaticContact CD2-ND1 3.31Å; Y131-H135 VanDerWaalsContact CD2-ND1 3.31Å; Y131-H135 WeakPolarHBondContact CD2-ND1 3.41Å; Y131-H135 HydrophobicContact CE2-CB 4.32Å; Y131-H135 AromaticContact CE2-CD2 3.68Å; Y131-H135 AromaticContact CE2-CE1 3.42Å; Y131-H135 VanDerWaalsContact CE2-CE1 3.42Å; Y131-H135 WeakPolarHBondContact CE2-CE1 3.44Å; Y131-H135 AromaticContact CE2-CG 3.53Å; Y131-H135 AromaticContact CE2-ND1 3.36Å; Y131-H135 WeakPolarHBondContact CE2-ND1 3.48Å; Y131-H135 AromaticContact CE2-NE2 3.62Å; Y131-H135 AromaticContact CZ-CG 3.97Å; Y131-H135 PolarHBondContact O-N 2.87Å; Y131-H135 PolarHBondContact O-ND1 3.4Å; Y131-Y136 HydrophobicContact CE1-CE2 4.08Å; Y131-I158 HydrophobicContact CD1-CD1 4.37Å; Y131-I158 HydrophobicContact CE1-CD1 4.04Å; Y131-I229 HydrophobicContact CD2-CG2 3.99Å; Y131-I229 HydrophobicContact CG-CG2 3.83Å; Y131-I232 HydrophobicContact CD1-CG2 4.49Å; Y131-I232 HydrophobicContact CE1-CG2 3.76Å; Y131-E233 HydrophobicContact CD2-CB 4.17Å; Y131-E233 HydrophobicContact CE2-CB 3.56Å; Y131-E233 HydrophobicContact CE2-CG 3.9Å; Y131-E236 WeakPolarHBondContact CE1-OE2 3.23Å; Y131-E236 PolarHBondContact OH-OE2 3.46Å
132	V	98.4	Very high	97.4	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-40.9	-177.6	170.1	0	0	0	0	111.2	L128 R129 A130 D134 H135 Y136 C141 I158	L128-V132 HydrophobicContact CD1-CG2 4.3Å; L128-V132 HydrophobicContact CG-CG2 4.2Å; L128-V132 WeakPolarHBondContact O-CB 3.38Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.3Å; L128-V132 PolarHBondContact O-N 2.76Å; R129-V132 PolarHBondContact O-N 3.3Å; A130-V132 PolarHBondContact O-N 2.94Å; V132-D134 VanDerWaalsContact C-N 3.3Å; V132-D134 PolarHBondContact O-N 2.89Å; V132-H135 PolarHBondContact O-N 2.78Å; V132-Y136 HydrophobicContact CB-CD2 4.46Å; V132-Y136 HydrophobicContact CG1-CD2 4.19Å; V132-Y136 WeakPolarHBondContact O-CB 3.36Å; V132-Y136 PolarHBondContact O-N 2.83Å; V132-C141 HydrophobicContact CG2-CB 4.09Å; V132-I158 HydrophobicContact CG1-CG2 4.41Å; V132-I158 HydrophobicContact CG2-CD1 3.97Å; V132-I158 HydrophobicContact CG2-CG1 4.06Å; V132-I158 HydrophobicContact CG2-CG2 3.77Å
133	K	97.4	Very high	97.6	Very high	172 Å²	172	47.2 Å²	47.2	75%	0.748	26%	0.263	S	S	*	.	H	α-helix	trans	-63	-36	176.2	-176.8	178.9	177.3	-178.5	0	112.7	R129 A130 Y131	R129-K133 WeakPolarHBondContact O-CB 3.2Å; R129-K133 PolarHBondContact O-N 2.8Å; A130-K133 PolarHBondContact O-N 2.94Å; Y131-K133 VanDerWaalsContact C-N 3.31Å; Y131-K133 PolarHBondContact O-N 2.84Å
134	D	98.1	Very high	97.6	Very high	130 Å²	130	45.5 Å²	45.5	70%	0.695	25%	0.251	S	S	*	.	H	α-helix	trans	-77.7	-29.7	-178.6	-68.6	-14.6	0	0	0	112.5	A130 Y131 V132	A130-D134 VanDerWaalsContact O-CG 3.31Å; A130-D134 PolarHBondContact O-N 2.76Å; A130-D134 VanDerWaalsContact O-N 3.09Å; Y131-D134 PolarHBondContact O-N 3.08Å; Y131-D134 VanDerWaalsContact O-N 3.11Å; V132-D134 VanDerWaalsContact C-N 3.3Å; V132-D134 PolarHBondContact O-N 2.89Å
135	H	98.2	Very high	97.5	Very high	76 Å²	76	45.8 Å²	45.8	35%	0.352	25%	0.254	S	S	.	.	H	α-helix	trans	-106.1	-22	-171.6	-65.4	73.2	0	0	0	114.4	Y131 V132 E233	Y131-H135 AromaticContact CD2-CE1 3.4Å; Y131-H135 VanDerWaalsContact CD2-CE1 3.4Å; Y131-H135 WeakPolarHBondContact CD2-CE1 3.36Å; Y131-H135 AromaticContact CD2-CG 3.96Å; Y131-H135 AromaticContact CD2-ND1 3.31Å; Y131-H135 VanDerWaalsContact CD2-ND1 3.31Å; Y131-H135 WeakPolarHBondContact CD2-ND1 3.41Å; Y131-H135 HydrophobicContact CE2-CB 4.32Å; Y131-H135 AromaticContact CE2-CD2 3.68Å; Y131-H135 AromaticContact CE2-CE1 3.42Å; Y131-H135 VanDerWaalsContact CE2-CE1 3.42Å; Y131-H135 WeakPolarHBondContact CE2-CE1 3.44Å; Y131-H135 AromaticContact CE2-CG 3.53Å; Y131-H135 AromaticContact CE2-ND1 3.36Å; Y131-H135 WeakPolarHBondContact CE2-ND1 3.48Å; Y131-H135 AromaticContact CE2-NE2 3.62Å; Y131-H135 AromaticContact CZ-CG 3.97Å; Y131-H135 PolarHBondContact O-N 2.87Å; Y131-H135 PolarHBondContact O-ND1 3.4Å; V132-H135 PolarHBondContact O-N 2.78Å; H135-E233 IonicContact NE2-OE1 3.72Å
136	Y	97.4	Very high	97.3	Very high	30 Å²	30	48.7 Å²	48.7	12%	0.118	27%	0.266	C	S	.	.			trans	-124.7	121.5	-176.9	-60.5	-92.3	0	0	0	110.9	Y131 V132 N138 I158 S160 W173 E236	Y131-Y136 HydrophobicContact CE1-CE2 4.08Å; V132-Y136 HydrophobicContact CB-CD2 4.46Å; V132-Y136 HydrophobicContact CG1-CD2 4.19Å; V132-Y136 WeakPolarHBondContact O-CB 3.36Å; V132-Y136 PolarHBondContact O-N 2.83Å; Y136-N138 VanDerWaalsContact C-N 3.3Å; Y136-N138 PolarHBondContact O-N 3.49Å; Y136-I158 HydrophobicContact CD2-CG2 4.47Å; Y136-I158 HydrophobicContact CE2-CG2 4.14Å; Y136-S160 VanDerWaalsContact CD1-CB 3.41Å; Y136-W173 HydrophobicContact CE1-CB 4.47Å; Y136-W173 AromaticContact CE1-CD1 3.62Å; Y136-W173 HydrophobicContact CE1-CD2 4.21Å; Y136-W173 AromaticContact CE1-CG 3.88Å; Y136-W173 HydrophobicContact CE1-CG 3.88Å; Y136-W173 AromaticContact CE1-NE1 3.86Å; Y136-W173 AromaticContact CZ-CD1 3.95Å; Y136-W173 AromaticContact CZ-NE1 3.75Å; Y136-W173 WeakPolarHBondContact OH-CZ2 3.34Å; Y136-W173 PolarHBondContact OH-NE1 2.96Å; Y136-E236 PolarHBondContact OH-OE1 2.95Å; Y136-E236 PolarHBondContact OH-OE2 3.48Å
137	S	94.2	Very high	97.1	Very high	102 Å²	102	49.3 Å²	49.3	71%	0.713	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-39.7	178.3	51.6	0	0	0	0	113.3	Q162	S137-Q162 PolarHBondContact OG-NE2 3.14Å
138	N	93.2	Very high	96.7	Very high	81 Å²	81	51.2 Å²	51.2	43%	0.433	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	55.7	177.7	-69.7	-25.6	0	0	0	109.9	Y136 Q162	Y136-N138 VanDerWaalsContact C-N 3.3Å; Y136-N138 PolarHBondContact O-N 3.49Å; N138-Q162 PolarHBondContact ND2-NE2 2.83Å
139	G	97.1	Very high	96.3	Very high	22 Å²	22	58.8 Å²	58.8	23%	0.227	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	145.1	-179.8	0	0	0	0	0	113.7	E159	G139-E159 CarbonylContact C-O 3.58Å; G139-E159 WeakPolarHBondContact CA-O 3.43Å
140	F	98.4	Very high	95.8	Very high	48 Å²	48	57.4 Å²	57.4	21%	0.211	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.7	174	-54.9	-74.1	0	0	0	109.6	P64 Q73 L75 I158 E159	P64-F140 HydrophobicContact CB-CB 4.32Å; P64-F140 HydrophobicContact CB-CD2 3.68Å; P64-F140 HydrophobicContact CB-CE2 4.15Å; P64-F140 HydrophobicContact CB-CG 3.97Å; P64-F140 HydrophobicContact CG-CD2 3.85Å; P64-F140 HydrophobicContact CG-CE2 4.04Å; Q73-F140 HydrophobicContact CB-CD1 3.84Å; Q73-F140 HydrophobicContact CB-CE1 4.03Å; Q73-F140 HydrophobicContact CG-CD1 4.3Å; Q73-F140 HydrophobicContact CG-CE1 3.97Å; L75-F140 HydrophobicContact CD2-CB 3.76Å; F140-I158 WeakPolarHBondContact O-CA 3.31Å; F140-E159 PolarHBondContact N-O 3.01Å; F140-E159 PolarHBondContact O-N 2.7Å
141	C	98.6	Very high	95.5	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.1	174.3	66.5	0	0	0	0	112.9	R91 L128 V132 C157 I158	R91-C141 PolarHBondContact NH2-O 3.27Å; L128-C141 HydrophobicContact CD2-CB 3.77Å; L128-C141 HydrophobicContact CG-CB 4.16Å; V132-C141 HydrophobicContact CG2-CB 4.09Å; C141-C157 CarbonylContact C-O 2.95Å; C141-C157 WeakPolarHBondContact CA-O 3.41Å; C141-C157 VanDerWaalsContact CB-O 3.27Å; C141-C157 WeakPolarHBondContact CB-O 3.17Å; C141-I158 HydrophobicContact CB-CG1 4.39Å
142	T	98.6	Very high	95.3	Very high	4 Å²	4	63 Å²	63	3%	0.025	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.4	170.8	-57.4	0	0	0	0	108.9	V74 L75 P90 Y144 C157	V74-T142 HydrophobicContact CG2-CG2 3.94Å; L75-T142 PolarHBondContact N-OG1 3.07Å; P90-T142 HydrophobicContact CG-CG2 3.66Å; T142-Y144 HydrophobicContact CG2-CD1 4.3Å; T142-Y144 HydrophobicContact CG2-CD2 4.38Å; T142-Y144 HydrophobicContact CG2-CE1 3.64Å; T142-Y144 HydrophobicContact CG2-CE2 3.74Å; T142-Y144 WeakPolarHBondContact CG2-OH 3.35Å; T142-C157 PolarHBondContact N-O 3.37Å; T142-C157 PolarHBondContact O-N 2.73Å
143	V	98.3	Very high	95.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.5	179.7	-175.9	0	0	0	0	109.4	P90 R121 C124 D125 L128 I154 I155 A156	P90-V143 WeakPolarHBondContact CG-O 3.49Å; R121-V143 VanDerWaalsContact CD-O 3.29Å; R121-V143 WeakPolarHBondContact CD-O 3.1Å; R121-V143 HydrophobicContact CG-CB 4.39Å; R121-V143 HydrophobicContact CG-CG1 3.89Å; R121-V143 WeakPolarHBondContact CG-O 3.25Å; C124-V143 HydrophobicContact CB-CG1 4.17Å; D125-V143 HydrophobicContact CB-CB 4.03Å; D125-V143 HydrophobicContact CB-CG2 4.02Å; L128-V143 HydrophobicContact CB-CG2 4.43Å; L128-V143 HydrophobicContact CD2-CG2 3.48Å; L128-V143 VanDerWaalsContact CD2-CG2 3.48Å; V143-I154 HydrophobicContact CG1-CG2 3.42Å; V143-I154 VanDerWaalsContact CG1-CG2 3.42Å; V143-I155 CarbonylContact C-O 3.47Å; V143-I155 VanDerWaalsContact CA-O 3.29Å; V143-I155 WeakPolarHBondContact CA-O 3.49Å; V143-A156 HydrophobicContact CG2-CB 4.19Å
144	Y	97.6	Very high	95.2	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	154.6	179.3	-51.6	-86.1	0	0	0	111	L75 T77 H79 P90 T142 I154 I155	L75-Y144 PolarHBondContact O-OH 2.89Å; T77-Y144 HydrophobicContact CG2-CE2 4.33Å; T77-Y144 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y144 WeakPolarHBondContact OG1-CE2 3.41Å; T77-Y144 VanDerWaalsContact OG1-CZ 3.24Å; T77-Y144 PolarHBondContact OG1-OH 3.09Å; H79-Y144 HydrophobicContact CB-CD1 4.32Å; H79-Y144 HydrophobicContact CB-CD2 3.51Å; H79-Y144 HydrophobicContact CB-CE2 3.72Å; H79-Y144 HydrophobicContact CB-CG 3.82Å; P90-Y144 HydrophobicContact CG-CD1 3.89Å; P90-Y144 HydrophobicContact CG-CE1 4.14Å; T142-Y144 HydrophobicContact CG2-CD1 4.3Å; T142-Y144 HydrophobicContact CG2-CD2 4.38Å; T142-Y144 HydrophobicContact CG2-CE1 3.64Å; T142-Y144 HydrophobicContact CG2-CE2 3.74Å; T142-Y144 WeakPolarHBondContact CG2-OH 3.35Å; Y144-I154 WeakPolarHBondContact O-CA 3.45Å; Y144-I155 HydrophobicContact CD2-CB 4.43Å; Y144-I155 PolarHBondContact N-O 2.88Å; Y144-I155 PolarHBondContact O-N 3.08Å
145	A	96.1	Very high	95.2	Very high	7 Å²	7	48.5 Å²	48.5	6%	0.058	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.4	166.4	0	0	0	0	0	109.2	L117 R121 I154	L117-A145 HydrophobicContact CB-CB 3.68Å; L117-A145 HydrophobicContact CD1-CB 4.17Å; R121-A145 HydrophobicContact CB-CB 4.11Å; R121-A145 HydrophobicContact CG-CB 4.23Å; A145-I154 HydrophobicContact CB-CD1 3.95Å
146	K	93.4	Very high	95.2	Very high	71 Å²	71	44.9 Å²	44.9	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155.9	177.8	-69.3	-166.3	175.6	-171	0	111	H79 I148 T153 I155	H79-K146 WeakPolarHBondContact O-CE 3.47Å; H79-K146 PolarHBondContact O-NZ 2.98Å; K146-I148 HydrophobicContact CB-CG1 4.2Å; K146-T153 PolarHBondContact N-O 3.32Å; K146-T153 PolarHBondContact O-N 3.4Å; K146-T153 VanDerWaalsContact O-O 3.09Å; K146-I155 HydrophobicContact CD-CD1 4.37Å
147	T	92.5	Very high	95.3	Very high	95 Å²	95	43.5 Å²	43.5	58%	0.583	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	112	164.2	-57.1	0	0	0	0	108.1	Q151	T147-Q151 CarbonylContact C-O 3.59Å; T147-Q151 VanDerWaalsContact CA-O 3.24Å; T147-Q151 WeakPolarHBondContact CA-O 3.45Å
148	I	90.3	Very high	95.5	Very high	66 Å²	66	38.6 Å²	38.6	34%	0.338	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.7	-179.8	-56.4	176.4	0	0	0	107.5	K146 G150 Q151 T153 I155	K146-I148 HydrophobicContact CB-CG1 4.2Å; I148-G150 PolarHBondContact O-N 3.36Å; I148-G150 VanDerWaalsContact O-N 3.09Å; I148-Q151 PolarHBondContact N-O 3.5Å; I148-Q151 WeakPolarHBondContact O-CA 3.4Å; I148-Q151 WeakPolarHBondContact O-CB 3.36Å; I148-Q151 PolarHBondContact O-N 2.94Å; I148-T153 HydrophobicContact CD1-CG2 4.33Å; I148-I155 HydrophobicContact CD1-CD1 4.14Å
149	D	89.2	Confident	95.8	Very high	160 Å²	160	34.8 Å²	34.8	86%	0.856	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.4	-178.4	-58.2	-34.7	0	0	0	114	Q151	D149-Q151 VanDerWaalsContact C-N 3.26Å; D149-Q151 PolarHBondContact O-N 3.46Å
150	G	88.7	Confident	95.8	Very high	69 Å²	69	34.4 Å²	34.4	71%	0.711	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-0.2	-177.6	0	0	0	0	0	114.9	I148	I148-G150 PolarHBondContact O-N 3.36Å; I148-G150 VanDerWaalsContact O-N 3.09Å
151	Q	91.9	Very high	95.8	Very high	97 Å²	97	34.2 Å²	34.2	45%	0.453	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.1	177.5	-56.3	-173.3	-42.1	0	0	111.2	T147 I148 D149 T153 T180	T147-Q151 CarbonylContact C-O 3.59Å; T147-Q151 VanDerWaalsContact CA-O 3.24Å; T147-Q151 WeakPolarHBondContact CA-O 3.45Å; I148-Q151 PolarHBondContact N-O 3.5Å; I148-Q151 WeakPolarHBondContact O-CA 3.4Å; I148-Q151 WeakPolarHBondContact O-CB 3.36Å; I148-Q151 PolarHBondContact O-N 2.94Å; D149-Q151 VanDerWaalsContact C-N 3.26Å; D149-Q151 PolarHBondContact O-N 3.46Å; Q151-T153 PolarHBondContact O-N 2.98Å; Q151-T180 HydrophobicContact CB-CG2 3.65Å; Q151-T180 HydrophobicContact CG-CG2 4.38Å
152	Q	93.9	Very high	95.8	Very high	81 Å²	81	36.9 Å²	36.9	38%	0.379	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120	177.5	-77.3	-173.4	-18.4	0	0	110.2	L117 I181	L117-Q152 HydrophobicContact CD1-CB 3.76Å; L117-Q152 HydrophobicContact CD1-CG 3.92Å; L117-Q152 HydrophobicContact CD2-CB 3.84Å; L117-Q152 HydrophobicContact CD2-CG 4.14Å; L117-Q152 HydrophobicContact CG-CB 4.16Å; L117-Q152 HydrophobicContact CG-CG 4.1Å; Q152-I181 HydrophobicContact CB-CB 4.42Å; Q152-I181 PolarHBondContact O-N 2.95Å
153	T	95.8	Very high	95.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.7	-174.3	-56	0	0	0	0	111.1	K146 I148 Q151 I155 K178 F179 T180	K146-T153 PolarHBondContact N-O 3.32Å; K146-T153 PolarHBondContact O-N 3.4Å; K146-T153 VanDerWaalsContact O-O 3.09Å; I148-T153 HydrophobicContact CD1-CG2 4.33Å; Q151-T153 PolarHBondContact O-N 2.98Å; T153-I155 HydrophobicContact CG2-CG1 3.94Å; T153-K178 HydrophobicContact CG2-CB 4.28Å; T153-F179 CarbonylContact C-O 3.57Å; T153-F179 VanDerWaalsContact CA-O 3.28Å; T153-F179 WeakPolarHBondContact CA-O 3.23Å; T153-T180 PolarHBondContact OG1-OG1 2.82Å; T153-T180 VanDerWaalsContact OG1-OG1 3.08Å
154	I	97.2	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.3	165.2	-56	-60.1	0	0	0	108.2	L117 W120 R121 C124 V143 Y144 A145 F179 I181	L117-I154 HydrophobicContact CB-CD1 4.24Å; L117-I154 HydrophobicContact CD1-CD1 4.5Å; L117-I154 HydrophobicContact CD2-CD1 4.35Å; W120-I154 HydrophobicContact CB-CD1 4.05Å; W120-I154 HydrophobicContact CB-CG1 4.33Å; R121-I154 HydrophobicContact CB-CD1 4.08Å; C124-I154 HydrophobicContact CB-CG2 4.23Å; V143-I154 HydrophobicContact CG1-CG2 3.42Å; V143-I154 VanDerWaalsContact CG1-CG2 3.42Å; Y144-I154 WeakPolarHBondContact O-CA 3.45Å; A145-I154 HydrophobicContact CB-CD1 3.95Å; I154-F179 HydrophobicContact CB-CB 4.22Å; I154-F179 HydrophobicContact CB-CD1 3.91Å; I154-F179 HydrophobicContact CG1-CD1 3.91Å; I154-F179 PolarHBondContact N-O 2.87Å; I154-F179 PolarHBondContact O-N 3.34Å; I154-I181 HydrophobicContact CG1-CD1 4.4Å
155	I	98.3	Very high	95.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.2	-179.3	-48.6	175.8	0	0	0	108	H79 V143 Y144 K146 I148 T153 E176 W177 K178	H79-I155 HydrophobicContact CB-CD1 4.32Å; H79-I155 VanDerWaalsContact ND1-CD1 3.35Å; H79-I155 WeakPolarHBondContact ND1-CD1 3.35Å; V143-I155 CarbonylContact C-O 3.47Å; V143-I155 VanDerWaalsContact CA-O 3.29Å; V143-I155 WeakPolarHBondContact CA-O 3.49Å; Y144-I155 HydrophobicContact CD2-CB 4.43Å; Y144-I155 PolarHBondContact N-O 2.88Å; Y144-I155 PolarHBondContact O-N 3.08Å; K146-I155 HydrophobicContact CD-CD1 4.37Å; I148-I155 HydrophobicContact CD1-CD1 4.14Å; T153-I155 HydrophobicContact CG2-CG1 3.94Å; I155-E176 HydrophobicContact CG2-CG 4.27Å; I155-W177 CarbonylContact C-O 3.54Å; I155-W177 WeakPolarHBondContact CA-O 2.86Å; I155-K178 HydrophobicContact CG1-CG 4.27Å; I155-K178 HydrophobicContact CG2-CG 4.1Å
156	A	98.6	Very high	95.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.8	177.4	0	0	0	0	0	109.9	L128 V143 E176 W177 F228	L128-A156 HydrophobicContact CD2-CB 3.67Å; V143-A156 HydrophobicContact CG2-CB 4.19Å; A156-E176 WeakPolarHBondContact O-CA 3.35Å; A156-W177 HydrophobicContact CB-CB 4.26Å; A156-W177 PolarHBondContact N-O 2.86Å; A156-W177 PolarHBondContact O-N 2.88Å; A156-F228 HydrophobicContact CB-CE1 4.07Å; A156-F228 HydrophobicContact CB-CZ 4.27Å
157	C	98.8	Very high	95.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.2	174.8	-61.4	0	0	0	0	109	F62 L75 T77 C141 T142 S175	F62-C157 HydrophobicContact CD2-CB 4.02Å; F62-C157 HydrophobicContact CE2-CB 3.74Å; F62-C157 HydrophobicContact CZ-CB 4.19Å; L75-C157 HydrophobicContact CD1-CB 3.77Å; L75-C157 WeakPolarHBondContact CD1-O 3.46Å; T77-C157 HydrophobicContact CG2-CB 4.22Å; C141-C157 CarbonylContact C-O 2.95Å; C141-C157 WeakPolarHBondContact CA-O 3.41Å; C141-C157 VanDerWaalsContact CB-O 3.27Å; C141-C157 WeakPolarHBondContact CB-O 3.17Å; T142-C157 PolarHBondContact N-O 3.37Å; T142-C157 PolarHBondContact O-N 2.73Å; C157-S175 WeakPolarHBondContact CA-O 3.23Å
158	I	98.9	Very high	96.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.1	174.7	-50	174.5	0	0	0	108.2	L128 Y131 V132 Y136 F140 C141 R174 S175 I232	L128-I158 HydrophobicContact CD1-CD1 3.75Å; L128-I158 HydrophobicContact CD1-CG1 4.15Å; L128-I158 HydrophobicContact CD2-CG1 4.33Å; Y131-I158 HydrophobicContact CD1-CD1 4.37Å; Y131-I158 HydrophobicContact CE1-CD1 4.04Å; V132-I158 HydrophobicContact CG1-CG2 4.41Å; V132-I158 HydrophobicContact CG2-CD1 3.97Å; V132-I158 HydrophobicContact CG2-CG1 4.06Å; V132-I158 HydrophobicContact CG2-CG2 3.77Å; Y136-I158 HydrophobicContact CD2-CG2 4.47Å; Y136-I158 HydrophobicContact CE2-CG2 4.14Å; F140-I158 WeakPolarHBondContact O-CA 3.31Å; C141-I158 HydrophobicContact CB-CG1 4.39Å; I158-R174 WeakPolarHBondContact O-CA 3.47Å; I158-S175 WeakPolarHBondContact CB-OG 3.24Å; I158-S175 PolarHBondContact N-O 2.81Å; I158-S175 PolarHBondContact O-N 2.9Å; I158-I232 HydrophobicContact CD1-CG2 4.25Å
159	E	98.7	Very high	96.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.1	171	-164.5	-91.8	176.7	0	0	109.7	F62 L75 G139 F140 H161 R172 W173 R174	F62-E159 HydrophobicContact CB-CB 3.92Å; F62-E159 HydrophobicContact CB-CG 4.01Å; F62-E159 WeakPolarHBondContact O-CG 3.28Å; L75-E159 HydrophobicContact CD1-CB 4.24Å; L75-E159 HydrophobicContact CD2-CB 3.88Å; G139-E159 CarbonylContact C-O 3.58Å; G139-E159 WeakPolarHBondContact CA-O 3.43Å; F140-E159 PolarHBondContact N-O 3.01Å; F140-E159 PolarHBondContact O-N 2.7Å; E159-H161 VanDerWaalsContact CD-ND1 3.31Å; E159-H161 WeakPolarHBondContact OE1-CB 3.36Å; E159-H161 IonicContact OE1-CG 2.78Å; E159-H161 IonicContact OE1-ND1 2.77Å; E159-H161 PolarHBondContact OE1-ND1 3.4Å; E159-H161 IonicContact OE2-CE1 2.69Å; E159-H161 IonicContact OE2-CG 3.64Å; E159-H161 IonicContact OE2-ND1 3.85Å; E159-H161 PolarHBondContact OE2-ND1 3Å; E159-R172 HydrophobicContact CG-CG 4.48Å; E159-R172 IonicContact OE1-CZ 3.62Å; E159-R172 IonicContact OE1-NE 3.65Å; E159-R172 PolarHBondContact OE1-NE 3.04Å; E159-R172 IonicContact OE1-NH2 3.58Å; E159-W173 WeakPolarHBondContact CA-O 3.39Å; E159-R174 HydrophobicContact CG-CG 4.17Å
160	S	98.6	Very high	96.9	Very high	14 Å²	14	48.2 Å²	48.2	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	134	167.2	172	0	0	0	0	108.3	Y136 R172 W173	Y136-S160 VanDerWaalsContact CD1-CB 3.41Å; S160-R172 WeakPolarHBondContact O-CA 3.38Å; S160-W173 PolarHBondContact N-O 3.47Å; S160-W173 PolarHBondContact O-N 2.9Å
161	H	98	Very high	97.3	Very high	45 Å²	45	45.5 Å²	45.5	21%	0.208	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.4	177.7	62.6	-90.8	0	0	0	112.7	E159 F163 G171 R172	E159-H161 VanDerWaalsContact CD-ND1 3.31Å; E159-H161 WeakPolarHBondContact OE1-CB 3.36Å; E159-H161 IonicContact OE1-CG 2.78Å; E159-H161 IonicContact OE1-ND1 2.77Å; E159-H161 PolarHBondContact OE1-ND1 3.4Å; E159-H161 IonicContact OE2-CE1 2.69Å; E159-H161 IonicContact OE2-CG 3.64Å; E159-H161 IonicContact OE2-ND1 3.85Å; E159-H161 PolarHBondContact OE2-ND1 3Å; H161-F163 HydrophobicContact CB-CD1 4.45Å; H161-F163 HydrophobicContact CB-CE1 3.7Å; H161-F163 HydrophobicContact CB-CE2 3.99Å; H161-F163 HydrophobicContact CB-CZ 3.42Å; H161-F163 VanDerWaalsContact CB-CZ 3.42Å; H161-F163 AromaticContact CD2-CD2 3.55Å; H161-F163 AromaticContact CD2-CE2 3.28Å; H161-F163 WeakPolarHBondContact CD2-CE2 3.25Å; H161-F163 AromaticContact CD2-CZ 3.7Å; H161-F163 AromaticContact CG-CE2 3.68Å; H161-F163 AromaticContact CG-CZ 3.64Å; H161-F163 AromaticContact NE2-CE2 3.97Å; H161-G171 WeakPolarHBondContact CA-O 3.39Å; H161-R172 HydrophobicContact CB-CB 4.35Å; H161-R172 HydrophobicContact CB-CG 4.47Å
162	Q	97.9	Very high	97.6	Very high	62 Å²	62	41.6 Å²	41.6	29%	0.29	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	114.6	172.1	-71	-67.7	-16.7	0	0	107.7	S137 N138 W169 G171	S137-Q162 PolarHBondContact OG-NE2 3.14Å; N138-Q162 PolarHBondContact ND2-NE2 2.83Å; Q162-W169 HydrophobicContact CB-CH2 3.73Å; Q162-W169 HydrophobicContact CB-CZ3 3.76Å; Q162-G171 PolarHBondContact N-O 3.5Å; Q162-G171 PolarHBondContact O-N 3.03Å
163	F	97.1	Very high	97.8	Very high	62 Å²	62	39.2 Å²	39.2	27%	0.272	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.1	-179.3	-57.7	-32	0	0	0	110	P26 H161 P165 N170 R172	P26-F163 HydrophobicContact CB-CE1 3.89Å; P26-F163 HydrophobicContact CB-CZ 4.14Å; H161-F163 HydrophobicContact CB-CD1 4.45Å; H161-F163 HydrophobicContact CB-CE1 3.7Å; H161-F163 HydrophobicContact CB-CE2 3.99Å; H161-F163 HydrophobicContact CB-CZ 3.42Å; H161-F163 VanDerWaalsContact CB-CZ 3.42Å; H161-F163 AromaticContact CD2-CD2 3.55Å; H161-F163 AromaticContact CD2-CE2 3.28Å; H161-F163 WeakPolarHBondContact CD2-CE2 3.25Å; H161-F163 AromaticContact CD2-CZ 3.7Å; H161-F163 AromaticContact CG-CE2 3.68Å; H161-F163 AromaticContact CG-CZ 3.64Å; H161-F163 AromaticContact NE2-CE2 3.97Å; F163-P165 VanDerWaalsContact C-CD 3.49Å; F163-N170 WeakPolarHBondContact CA-OD1 3.39Å; F163-N170 VanDerWaalsContact CB-OD1 3.25Å; F163-N170 WeakPolarHBondContact CB-OD1 3.42Å; F163-N170 HydrophobicContact CD1-CB 3.73Å; F163-N170 WeakPolarHBondContact CD1-OD1 3.25Å; F163-N170 HydrophobicContact CE1-CB 4.3Å; F163-R172 VanDerWaalsContact CZ-NH2 3.34Å
164	Q	97	Very high	98	Very high	70 Å²	70	40.3 Å²	40.3	33%	0.327	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	70	179.9	-62.4	-164.2	-0	0	0	109.6	K166 N167 F168 W169 N170	Q164-K166 PolarHBondContact O-N 2.98Å; Q164-N167 HydrophobicContact CB-CB 4.04Å; Q164-N167 CarbonylContact O-C 3.48Å; Q164-N167 WeakPolarHBondContact O-CA 3.37Å; Q164-N167 PolarHBondContact O-N 3.48Å; Q164-N167 PolarHBondContact OE1-ND2 2.67Å; Q164-F168 PolarHBondContact O-N 2.89Å; Q164-F168 VanDerWaalsContact O-N 3.16Å; Q164-W169 CarbonylContact C-O 3.51Å; Q164-W169 WeakPolarHBondContact CA-O 3.47Å; Q164-W169 HydrophobicContact CB-CD2 4.26Å; Q164-W169 HydrophobicContact CB-CZ2 4.08Å; Q164-W169 HydrophobicContact CG-CH2 4.18Å; Q164-W169 HydrophobicContact CG-CZ2 3.67Å; Q164-W169 PolarHBondContact N-O 2.74Å; Q164-W169 PolarHBondContact O-N 2.97Å; Q164-W169 VanDerWaalsContact OE1-CZ2 3.28Å; Q164-N170 PolarHBondContact N-OD1 3.37Å
165	P	95.8	Very high	98.1	Very high	73 Å²	73	40.3 Å²	40.3	47%	0.474	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-61.1	-30.5	-177.5	24	-34.4	0	0	0	112.9	F163 N167 F168 Y199	F163-P165 VanDerWaalsContact C-CD 3.49Å; P165-N167 PolarHBondContact O-N 3.33Å; P165-F168 PolarHBondContact O-N 3.25Å; P165-F168 VanDerWaalsContact O-N 3.07Å; P165-Y199 WeakPolarHBondContact CA-OH 3.29Å
166	K	97.2	Very high	98.1	Very high	190 Å²	190	41.5 Å²	41.5	83%	0.826	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-63.5	-24.1	173.1	-67.9	-176	178.8	178.4	0	113.7	Q164	Q164-K166 PolarHBondContact O-N 2.98Å
167	N	97.6	Very high	98.1	Very high	85 Å²	85	41.5 Å²	41.5	46%	0.455	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-105.7	12.1	177.6	-60.9	-23.1	0	0	0	111.2	Q164 P165 W169	Q164-N167 HydrophobicContact CB-CB 4.04Å; Q164-N167 CarbonylContact O-C 3.48Å; Q164-N167 WeakPolarHBondContact O-CA 3.37Å; Q164-N167 PolarHBondContact O-N 3.48Å; Q164-N167 PolarHBondContact OE1-ND2 2.67Å; P165-N167 PolarHBondContact O-N 3.33Å; N167-W169 VanDerWaalsContact C-N 3.26Å; N167-W169 VanDerWaalsContact O-CD1 3.3Å; N167-W169 PolarHBondContact O-N 3.39Å
168	F	97.8	Very high	98	Very high	84 Å²	84	44.3 Å²	44.3	37%	0.368	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	33.6	176.1	-50	-85	0	0	0	114.6	Q164 P165 Y198 Y199 E200	Q164-F168 PolarHBondContact O-N 2.89Å; Q164-F168 VanDerWaalsContact O-N 3.16Å; P165-F168 PolarHBondContact O-N 3.25Å; P165-F168 VanDerWaalsContact O-N 3.07Å; F168-Y198 WeakPolarHBondContact O-CA 3.38Å; F168-Y199 VanDerWaalsContact C-CE1 3.44Å; F168-Y199 HydrophobicContact CB-CD2 3.87Å; F168-Y199 HydrophobicContact CB-CE2 3.85Å; F168-Y199 HydrophobicContact CB-CG 4.32Å; F168-Y199 AromaticContact CD1-CD2 3.9Å; F168-Y199 HydrophobicContact CD1-CD2 3.9Å; F168-Y199 AromaticContact CD1-CE2 3.66Å; F168-Y199 HydrophobicContact CD1-CE2 3.66Å; F168-Y199 HydrophobicContact CG-CD2 4.4Å; F168-Y199 HydrophobicContact CG-CE2 4.24Å; F168-Y199 VanDerWaalsContact O-CD1 3.25Å; F168-Y199 WeakPolarHBondContact O-CD1 3.46Å; F168-Y199 WeakPolarHBondContact O-CE1 3.48Å; F168-Y199 PolarHBondContact O-N 2.69Å; F168-E200 HydrophobicContact CB-CB 3.82Å; F168-E200 HydrophobicContact CB-CG 4.45Å; F168-E200 HydrophobicContact CD2-CB 4.09Å; F168-E200 HydrophobicContact CD2-CG 3.77Å; F168-E200 HydrophobicContact CE2-CG 4.29Å; F168-E200 HydrophobicContact CG-CB 4.06Å; F168-E200 HydrophobicContact CG-CG 4.19Å
169	W	98.3	Very high	97.7	Very high	76 Å²	76	44.4 Å²	44.4	29%	0.288	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.6	174.7	73.1	-95	0	0	0	114.3	Q162 Q164 N167 H197 Y198	Q162-W169 HydrophobicContact CB-CH2 3.73Å; Q162-W169 HydrophobicContact CB-CZ3 3.76Å; Q164-W169 CarbonylContact C-O 3.51Å; Q164-W169 WeakPolarHBondContact CA-O 3.47Å; Q164-W169 HydrophobicContact CB-CD2 4.26Å; Q164-W169 HydrophobicContact CB-CZ2 4.08Å; Q164-W169 HydrophobicContact CG-CH2 4.18Å; Q164-W169 HydrophobicContact CG-CZ2 3.67Å; Q164-W169 PolarHBondContact N-O 2.74Å; Q164-W169 PolarHBondContact O-N 2.97Å; Q164-W169 VanDerWaalsContact OE1-CZ2 3.28Å; N167-W169 VanDerWaalsContact C-N 3.26Å; N167-W169 VanDerWaalsContact O-CD1 3.3Å; N167-W169 PolarHBondContact O-N 3.39Å; W169-H197 CarbonylContact C-O 3.49Å; W169-H197 WeakPolarHBondContact CA-O 3.48Å; W169-Y198 HydrophobicContact CB-CD2 3.98Å
170	N	98.1	Very high	97.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.9	176.3	-66.5	-51.9	0	0	0	110.2	P26 E28 F163 Q164 V196 H197	P26-N170 WeakPolarHBondContact O-CB 3.45Å; E28-N170 WeakPolarHBondContact CG-ND2 3.36Å; E28-N170 PolarHBondContact OE1-ND2 3.41Å; F163-N170 WeakPolarHBondContact CA-OD1 3.39Å; F163-N170 VanDerWaalsContact CB-OD1 3.25Å; F163-N170 WeakPolarHBondContact CB-OD1 3.42Å; F163-N170 HydrophobicContact CD1-CB 3.73Å; F163-N170 WeakPolarHBondContact CD1-OD1 3.25Å; F163-N170 HydrophobicContact CE1-CB 4.3Å; Q164-N170 PolarHBondContact N-OD1 3.37Å; N170-V196 CarbonylContact O-C 3.56Å; N170-V196 WeakPolarHBondContact O-CA 3.3Å; N170-H197 PolarHBondContact N-O 3.07Å; N170-H197 PolarHBondContact O-N 3.2Å
171	G	98	Very high	97.2	Very high	12 Å²	12	45.4 Å²	45.4	12%	0.124	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.7	177.6	0	0	0	0	0	111.7	H161 Q162 Q195	H161-G171 WeakPolarHBondContact CA-O 3.39Å; Q162-G171 PolarHBondContact N-O 3.5Å; Q162-G171 PolarHBondContact O-N 3.03Å; G171-Q195 CarbonylContact C-O 3.57Å; G171-Q195 WeakPolarHBondContact CA-O 3.13Å
172	R	98.6	Very high	96.8	Very high	16 Å²	16	46.3 Å²	46.3	6%	0.06	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.2	174	177.7	175	-78.7	147	-8.3	111.1	P26 E159 S160 H161 F163 R174 Q195	P26-R172 HydrophobicContact CB-CB 3.65Å; P26-R172 HydrophobicContact CG-CB 3.94Å; E159-R172 HydrophobicContact CG-CG 4.48Å; E159-R172 IonicContact OE1-CZ 3.62Å; E159-R172 IonicContact OE1-NE 3.65Å; E159-R172 PolarHBondContact OE1-NE 3.04Å; E159-R172 IonicContact OE1-NH2 3.58Å; S160-R172 WeakPolarHBondContact O-CA 3.38Å; H161-R172 HydrophobicContact CB-CB 4.35Å; H161-R172 HydrophobicContact CB-CG 4.47Å; F163-R172 VanDerWaalsContact CZ-NH2 3.34Å; R172-R174 HydrophobicContact CG-CG 4.05Å; R172-Q195 PolarHBondContact N-O 3.42Å; R172-Q195 PolarHBondContact O-N 3.3Å
173	W	98.8	Very high	96.2	Very high	31 Å²	31	48.3 Å²	48.3	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.1	166.6	175.3	-80.9	0	0	0	109.4	Y136 E159 S160 L192 I194 E236 Y239	Y136-W173 HydrophobicContact CE1-CB 4.47Å; Y136-W173 AromaticContact CE1-CD1 3.62Å; Y136-W173 HydrophobicContact CE1-CD2 4.21Å; Y136-W173 AromaticContact CE1-CG 3.88Å; Y136-W173 HydrophobicContact CE1-CG 3.88Å; Y136-W173 AromaticContact CE1-NE1 3.86Å; Y136-W173 AromaticContact CZ-CD1 3.95Å; Y136-W173 AromaticContact CZ-NE1 3.75Å; Y136-W173 WeakPolarHBondContact OH-CZ2 3.34Å; Y136-W173 PolarHBondContact OH-NE1 2.96Å; E159-W173 WeakPolarHBondContact CA-O 3.39Å; S160-W173 PolarHBondContact N-O 3.47Å; S160-W173 PolarHBondContact O-N 2.9Å; W173-L192 HydrophobicContact CH2-CD2 3.91Å; W173-L192 HydrophobicContact CZ2-CB 4.5Å; W173-L192 HydrophobicContact CZ2-CD2 3.78Å; W173-L192 HydrophobicContact CZ2-CG 4.47Å; W173-I194 HydrophobicContact CD2-CG1 4.3Å; W173-I194 HydrophobicContact CE3-CD1 3.46Å; W173-I194 VanDerWaalsContact CE3-CD1 3.46Å; W173-I194 HydrophobicContact CE3-CG1 3.41Å; W173-I194 VanDerWaalsContact CE3-CG1 3.41Å; W173-I194 HydrophobicContact CZ3-CD1 3.36Å; W173-I194 HydrophobicContact CZ3-CG1 3.73Å; W173-E236 HydrophobicContact CH2-CB 4.33Å; W173-E236 HydrophobicContact CH2-CG 4.4Å; W173-E236 HydrophobicContact CZ2-CB 4.16Å; W173-E236 HydrophobicContact CZ2-CG 3.8Å; W173-Y239 AromaticContact CH2-CD1 3.57Å; W173-Y239 HydrophobicContact CH2-CD1 3.57Å; W173-Y239 HydrophobicContact CH2-CE1 4.07Å; W173-Y239 AromaticContact CZ3-CD1 3.87Å; W173-Y239 HydrophobicContact CZ3-CD1 3.87Å; W173-Y239 HydrophobicContact CZ3-CE1 4.04Å
174	R	98.6	Very high	96	Very high	25 Å²	25	50 Å²	50	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.4	169.8	-67.2	166.6	-68.8	174.5	-6.6	109.2	D60 F62 I158 E159 R172 K193	D60-R174 WeakPolarHBondContact O-CD 3.41Å; D60-R174 PolarHBondContact O-NH1 3.45Å; F62-R174 HydrophobicContact CB-CG 4.33Å; F62-R174 HydrophobicContact CD2-CB 4.08Å; F62-R174 HydrophobicContact CD2-CG 4.17Å; F62-R174 HydrophobicContact CE2-CB 4.45Å; F62-R174 HydrophobicContact CG-CG 4.4Å; I158-R174 WeakPolarHBondContact O-CA 3.47Å; E159-R174 HydrophobicContact CG-CG 4.17Å; R172-R174 HydrophobicContact CG-CG 4.05Å; R174-K193 HydrophobicContact CB-CB 4.49Å; R174-K193 PolarHBondContact N-O 3.45Å; R174-K193 PolarHBondContact O-N 3.39Å
175	S	98.7	Very high	95.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.7	166.4	59.1	0	0	0	0	110.9	C157 I158 W177 V191 E236	C157-S175 WeakPolarHBondContact CA-O 3.23Å; I158-S175 WeakPolarHBondContact CB-OG 3.24Å; I158-S175 PolarHBondContact N-O 2.81Å; I158-S175 PolarHBondContact O-N 2.9Å; S175-W177 PolarHBondContact OG-NE1 2.85Å; S175-V191 WeakPolarHBondContact CA-O 3.07Å; S175-E236 VanDerWaalsContact CB-OE1 3.23Å; S175-E236 WeakPolarHBondContact CB-OE1 3.32Å; S175-E236 PolarHBondContact OG-OE1 3.37Å
176	E	98.8	Very high	95.7	Very high	24 Å²	24	45.9 Å²	45.9	11%	0.112	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.3	174.8	179.5	-180	108.8	0	0	108.6	F62 H79 I155 A156 K178 G190 V191	F62-E176 HydrophobicContact CE2-CB 4.14Å; F62-E176 HydrophobicContact CZ-CB 3.95Å; F62-E176 HydrophobicContact CZ-CG 4.43Å; H79-E176 IonicContact CD2-OE2 2.69Å; H79-E176 IonicContact CE1-OE2 3.46Å; H79-E176 IonicContact NE2-OE1 3.42Å; H79-E176 IonicContact NE2-OE2 2.71Å; H79-E176 PolarHBondContact NE2-OE2 2.89Å; I155-E176 HydrophobicContact CG2-CG 4.27Å; A156-E176 WeakPolarHBondContact O-CA 3.35Å; E176-K178 WeakPolarHBondContact OE1-CE 3.32Å; E176-K178 IonicContact OE1-NZ 3.78Å; E176-K178 PolarHBondContact OE1-NZ 2.68Å; E176-G190 CarbonylContact O-C 3.55Å; E176-G190 VanDerWaalsContact O-CA 3.23Å; E176-G190 WeakPolarHBondContact O-CA 3.21Å; E176-V191 HydrophobicContact CB-CG1 3.85Å; E176-V191 PolarHBondContact N-O 2.93Å; E176-V191 PolarHBondContact O-N 3.09Å
177	W	98.6	Very high	95.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119	-178.1	-62.6	94.3	0	0	0	109.8	I155 A156 S175 V188 G190 L192 V212 F228 I232 A235 E236	I155-W177 CarbonylContact C-O 3.54Å; I155-W177 WeakPolarHBondContact CA-O 2.86Å; A156-W177 HydrophobicContact CB-CB 4.26Å; A156-W177 PolarHBondContact N-O 2.86Å; A156-W177 PolarHBondContact O-N 2.88Å; S175-W177 PolarHBondContact OG-NE1 2.85Å; W177-V188 HydrophobicContact CE3-CG1 3.93Å; W177-V188 HydrophobicContact CZ3-CG1 4.25Å; W177-G190 VanDerWaalsContact CE3-CA 3.44Å; W177-L192 HydrophobicContact CH2-CD1 4.04Å; W177-L192 HydrophobicContact CZ2-CD1 3.92Å; W177-L192 HydrophobicContact CZ2-CD2 4.34Å; W177-L192 HydrophobicContact CZ2-CG 4.15Å; W177-V212 HydrophobicContact CH2-CB 4.07Å; W177-V212 HydrophobicContact CH2-CG1 4.09Å; W177-V212 HydrophobicContact CH2-CG2 4.07Å; W177-V212 HydrophobicContact CZ3-CB 3.96Å; W177-V212 HydrophobicContact CZ3-CG1 3.84Å; W177-V212 HydrophobicContact CZ3-CG2 4.47Å; W177-F228 HydrophobicContact CB-CE2 4.09Å; W177-F228 HydrophobicContact CB-CZ 3.65Å; W177-I232 HydrophobicContact CB-CD1 4.28Å; W177-I232 HydrophobicContact CD2-CD1 4.25Å; W177-I232 HydrophobicContact CD2-CG1 3.72Å; W177-I232 HydrophobicContact CE3-CG1 4.17Å; W177-I232 HydrophobicContact CG-CD1 3.88Å; W177-I232 HydrophobicContact CG-CG1 3.91Å; W177-I232 HydrophobicContact CZ2-CB 4.39Å; W177-I232 HydrophobicContact CZ2-CG1 4.31Å; W177-I232 HydrophobicContact CZ2-CG2 4.16Å; W177-A235 HydrophobicContact CH2-CB 3.62Å; W177-A235 HydrophobicContact CZ2-CB 4.3Å; W177-E236 HydrophobicContact CZ2-CG 4.13Å
178	K	97.6	Very high	95.7	Very high	60 Å²	60	36.6 Å²	36.6	26%	0.261	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.7	176.3	-66.7	179	175.5	146.8	0	109	T153 I155 E176 V188 V189	T153-K178 HydrophobicContact CG2-CB 4.28Å; I155-K178 HydrophobicContact CG1-CG 4.27Å; I155-K178 HydrophobicContact CG2-CG 4.1Å; E176-K178 WeakPolarHBondContact OE1-CE 3.32Å; E176-K178 IonicContact OE1-NZ 3.78Å; E176-K178 PolarHBondContact OE1-NZ 2.68Å; K178-V188 CarbonylContact O-C 3.55Å; K178-V188 WeakPolarHBondContact O-CA 3.48Å; K178-V189 PolarHBondContact N-O 2.94Å; K178-V189 PolarHBondContact O-N 2.97Å
179	F	91.7	Very high	95.7	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	101.3	-178.9	170.8	-106.7	0	0	0	108.6	W120 T153 I154 I181 A186 V188 L216 T224 F228	W120-F179 HydrophobicContact CE3-CE1 4.22Å; W120-F179 HydrophobicContact CZ3-CE1 4.37Å; W120-F179 HydrophobicContact CZ3-CZ 4.49Å; T153-F179 CarbonylContact C-O 3.57Å; T153-F179 VanDerWaalsContact CA-O 3.28Å; T153-F179 WeakPolarHBondContact CA-O 3.23Å; I154-F179 HydrophobicContact CB-CB 4.22Å; I154-F179 HydrophobicContact CB-CD1 3.91Å; I154-F179 HydrophobicContact CG1-CD1 3.91Å; I154-F179 PolarHBondContact N-O 2.87Å; I154-F179 PolarHBondContact O-N 3.34Å; F179-I181 HydrophobicContact CD1-CD1 4.15Å; F179-I181 HydrophobicContact CD1-CG1 3.75Å; F179-I181 HydrophobicContact CE1-CD1 3.59Å; F179-I181 HydrophobicContact CE1-CG1 3.31Å; F179-I181 HydrophobicContact CZ-CG1 3.98Å; F179-A186 HydrophobicContact CD2-CB 3.83Å; F179-A186 HydrophobicContact CE1-CB 4.49Å; F179-A186 HydrophobicContact CE2-CB 3.11Å; F179-A186 HydrophobicContact CZ-CB 3.5Å; F179-A186 VanDerWaalsContact CZ-CB 3.5Å; F179-V188 HydrophobicContact CD2-CG2 4.03Å; F179-L216 HydrophobicContact CD2-CD2 4.26Å; F179-L216 HydrophobicContact CE2-CD1 3.86Å; F179-L216 HydrophobicContact CE2-CD2 3.76Å; F179-L216 HydrophobicContact CE2-CG 3.95Å; F179-L216 HydrophobicContact CZ-CD1 4.33Å; F179-T224 HydrophobicContact CE1-CG2 4.32Å; F179-T224 HydrophobicContact CE2-CG2 4.09Å; F179-T224 HydrophobicContact CZ-CG2 3.48Å; F179-T224 VanDerWaalsContact CZ-CG2 3.48Å; F179-F228 HydrophobicContact CB-CD2 4.42Å; F179-F228 HydrophobicContact CB-CE1 4.42Å; F179-F228 HydrophobicContact CB-CE2 4.02Å; F179-F228 HydrophobicContact CB-CZ 4Å; F179-F228 HydrophobicContact CD2-CD2 4.26Å
180	T	95.4	Very high	95.7	Very high	24 Å²	24	32.6 Å²	32.6	15%	0.147	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.1	-177.8	-60.6	0	0	0	0	110.5	Q151 T153 A186 Q187	Q151-T180 HydrophobicContact CB-CG2 3.65Å; Q151-T180 HydrophobicContact CG-CG2 4.38Å; T153-T180 PolarHBondContact OG1-OG1 2.82Å; T153-T180 VanDerWaalsContact OG1-OG1 3.08Å; T180-A186 CarbonylContact O-C 3.54Å; T180-A186 WeakPolarHBondContact O-CA 3.35Å; T180-A186 WeakPolarHBondContact O-CB 3.39Å; T180-Q187 PolarHBondContact N-O 2.73Å; T180-Q187 PolarHBondContact O-N 2.82Å
181	I	91.4	Very high	95.8	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.062	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	111.9	-172.9	-50	179.9	0	0	0	109.5	L117 W120 Q152 I154 F179 P183 V218	L117-I181 HydrophobicContact CD2-CD1 3.79Å; W120-I181 HydrophobicContact CB-CD1 4.5Å; W120-I181 HydrophobicContact CD2-CD1 3.8Å; W120-I181 HydrophobicContact CE3-CD1 3.96Å; W120-I181 HydrophobicContact CG-CD1 4.03Å; Q152-I181 HydrophobicContact CB-CB 4.42Å; Q152-I181 PolarHBondContact O-N 2.95Å; I154-I181 HydrophobicContact CG1-CD1 4.4Å; F179-I181 HydrophobicContact CD1-CD1 4.15Å; F179-I181 HydrophobicContact CD1-CG1 3.75Å; F179-I181 HydrophobicContact CE1-CD1 3.59Å; F179-I181 HydrophobicContact CE1-CG1 3.31Å; F179-I181 HydrophobicContact CZ-CG1 3.98Å; I181-P183 HydrophobicContact CG2-CG 4.2Å; I181-V218 HydrophobicContact CG2-CG1 4.36Å; I181-V218 HydrophobicContact CG2-CG2 4.26Å
182	T	89.8	Confident	95.8	Very high	64 Å²	64	33.3 Å²	33.3	39%	0.393	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	78.3	177.2	-46.6	0	0	0	0	109.2	T185	T182-T185 CarbonylContact C-O 3.58Å; T182-T185 WeakPolarHBondContact CA-O 3.25Å; T182-T185 PolarHBondContact N-O 3.36Å; T182-T185 CarbonylContact O-C 3.57Å; T182-T185 PolarHBondContact O-N 2.88Å; T182-T185 PolarHBondContact O-OG1 2.71Å
183	P	86.4	Confident	95.8	Very high	103 Å²	103	36.9 Å²	36.9	67%	0.669	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	134.9	-169.9	-27	35.8	0	0	0	111.9	I181	I181-P183 HydrophobicContact CG2-CG 4.2Å
184	P	91.7	Very high	95.8	Very high	97 Å²	97	36.6 Å²	36.6	63%	0.63	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.9	6.1	12.9	36	-36.3	0	0	0	115.4	V218	P184-V218 PolarHBondContact O-N 3.4Å
185	T	93.8	Very high	95.8	Very high	57 Å²	57	36.5 Å²	36.5	35%	0.35	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	167.6	-176.1	58	0	0	0	0	112	T182 L216 V218	T182-T185 CarbonylContact C-O 3.58Å; T182-T185 WeakPolarHBondContact CA-O 3.25Å; T182-T185 PolarHBondContact N-O 3.36Å; T182-T185 CarbonylContact O-C 3.57Å; T182-T185 PolarHBondContact O-N 2.88Å; T182-T185 PolarHBondContact O-OG1 2.71Å; T185-L216 CarbonylContact C-O 3.42Å; T185-L216 WeakPolarHBondContact CA-O 3.32Å; T185-V218 VanDerWaalsContact C-CG2 3.46Å; T185-V218 WeakPolarHBondContact O-CG2 3.29Å
186	A	94	Very high	95.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.2	168.6	0	0	0	0	0	109.7	F179 T180 S215 L216 V218	F179-A186 HydrophobicContact CD2-CB 3.83Å; F179-A186 HydrophobicContact CE1-CB 4.49Å; F179-A186 HydrophobicContact CE2-CB 3.11Å; F179-A186 HydrophobicContact CZ-CB 3.5Å; F179-A186 VanDerWaalsContact CZ-CB 3.5Å; T180-A186 CarbonylContact O-C 3.54Å; T180-A186 WeakPolarHBondContact O-CA 3.35Å; T180-A186 WeakPolarHBondContact O-CB 3.39Å; A186-S215 CarbonylContact O-C 3.58Å; A186-S215 VanDerWaalsContact O-CA 3.23Å; A186-S215 WeakPolarHBondContact O-CA 3.32Å; A186-L216 HydrophobicContact CB-CD1 4.27Å; A186-L216 HydrophobicContact CB-CG 4.35Å; A186-L216 PolarHBondContact N-O 3.16Å; A186-L216 PolarHBondContact O-N 2.91Å; A186-V218 HydrophobicContact CB-CG2 3.51Å
187	Q	96.6	Very high	95.7	Very high	80 Å²	80	38.3 Å²	38.3	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	134.2	176.7	-62.4	-61.1	-47.2	0	0	108.8	T180	T180-Q187 PolarHBondContact N-O 2.73Å; T180-Q187 PolarHBondContact O-N 2.82Å
188	V	97.6	Very high	95.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.4	177.5	179	0	0	0	0	108.3	W177 K178 F179 Q213 D214 L216 F228 I231	W177-V188 HydrophobicContact CE3-CG1 3.93Å; W177-V188 HydrophobicContact CZ3-CG1 4.25Å; K178-V188 CarbonylContact O-C 3.55Å; K178-V188 WeakPolarHBondContact O-CA 3.48Å; F179-V188 HydrophobicContact CD2-CG2 4.03Å; V188-Q213 WeakPolarHBondContact O-CA 3.26Å; V188-D214 HydrophobicContact CB-CB 4.29Å; V188-D214 PolarHBondContact N-O 3.38Å; V188-D214 PolarHBondContact O-N 3.35Å; V188-L216 HydrophobicContact CG2-CD2 4.02Å; V188-F228 HydrophobicContact CG1-CD2 4.42Å; V188-F228 HydrophobicContact CG1-CE2 3.98Å; V188-F228 HydrophobicContact CG2-CD2 4.15Å; V188-F228 HydrophobicContact CG2-CE2 4.34Å; V188-I231 HydrophobicContact CG1-CG2 4.4Å; V188-I231 HydrophobicContact CG2-CD1 4.32Å
189	V	98.2	Very high	95.7	Very high	75 Å²	75	42.8 Å²	42.8	46%	0.455	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.8	171.7	-179.7	0	0	0	0	107.9	K178 V212	K178-V189 PolarHBondContact N-O 2.94Å; K178-V189 PolarHBondContact O-N 2.97Å; V189-V212 CarbonylContact C-O 3.29Å; V189-V212 WeakPolarHBondContact CA-O 3.35Å
190	G	98.3	Very high	96	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.4	180	0	0	0	0	0	111.7	E176 W177 D211 V212	E176-G190 CarbonylContact O-C 3.55Å; E176-G190 VanDerWaalsContact O-CA 3.23Å; E176-G190 WeakPolarHBondContact O-CA 3.21Å; W177-G190 VanDerWaalsContact CE3-CA 3.44Å; G190-D211 CarbonylContact O-C 3.49Å; G190-D211 WeakPolarHBondContact O-CA 3.46Å; G190-V212 PolarHBondContact N-O 2.9Å; G190-V212 PolarHBondContact O-N 2.97Å
191	V	98.6	Very high	96	Very high	27 Å²	27	53.9 Å²	53.9	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.3	165	59.6	0	0	0	0	109.3	S175 E176 K193 K210 D211	S175-V191 WeakPolarHBondContact CA-O 3.07Å; E176-V191 HydrophobicContact CB-CG1 3.85Å; E176-V191 PolarHBondContact N-O 2.93Å; E176-V191 PolarHBondContact O-N 3.09Å; V191-K193 HydrophobicContact CG2-CG 4.18Å; V191-K210 WeakPolarHBondContact CA-O 2.96Å; V191-D211 WeakPolarHBondContact CG2-OD1 3.32Å
192	L	98.6	Very high	96.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.3	177.1	-57	84.8	0	0	0	108.1	W173 W177 H209 K210 V212 E236 Y239	W173-L192 HydrophobicContact CH2-CD2 3.91Å; W173-L192 HydrophobicContact CZ2-CB 4.5Å; W173-L192 HydrophobicContact CZ2-CD2 3.78Å; W173-L192 HydrophobicContact CZ2-CG 4.47Å; W177-L192 HydrophobicContact CH2-CD1 4.04Å; W177-L192 HydrophobicContact CZ2-CD1 3.92Å; W177-L192 HydrophobicContact CZ2-CD2 4.34Å; W177-L192 HydrophobicContact CZ2-CG 4.15Å; L192-H209 CarbonylContact O-C 3.58Å; L192-H209 WeakPolarHBondContact O-CA 3.44Å; L192-H209 VanDerWaalsContact O-CB 3.32Å; L192-H209 WeakPolarHBondContact O-CB 3.08Å; L192-K210 HydrophobicContact CD1-CB 4.4Å; L192-K210 WeakPolarHBondContact CD1-O 3.19Å; L192-K210 PolarHBondContact N-O 3.24Å; L192-K210 PolarHBondContact O-N 2.78Å; L192-V212 HydrophobicContact CD1-CG2 3.5Å; L192-E236 HydrophobicContact CD2-CB 4.33Å; L192-E236 HydrophobicContact CD2-CG 3.68Å; L192-Y239 HydrophobicContact CB-CD1 3.83Å; L192-Y239 HydrophobicContact CB-CE1 3.73Å; L192-Y239 HydrophobicContact CD2-CD1 3.55Å; L192-Y239 HydrophobicContact CD2-CE1 4.32Å; L192-Y239 HydrophobicContact CD2-CG 4.12Å; L192-Y239 HydrophobicContact CG-CD1 4.33Å
193	K	98.6	Very high	96.5	Very high	92 Å²	92	57.5 Å²	57.5	40%	0.4	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.3	-180	-61.3	179.7	-175.6	171.6	0	110.7	R174 V191 S208 H209	R174-K193 HydrophobicContact CB-CB 4.49Å; R174-K193 PolarHBondContact N-O 3.45Å; R174-K193 PolarHBondContact O-N 3.39Å; V191-K193 HydrophobicContact CG2-CG 4.18Å; K193-S208 CarbonylContact C-O 3.49Å; K193-S208 WeakPolarHBondContact CA-O 3.3Å; K193-H209 HydrophobicContact CG-CB 4.08Å
194	I	98.3	Very high	97	Very high	25 Å²	25	57.2 Å²	57.2	13%	0.128	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.6	173.5	-56.8	-178.9	0	0	0	109.1	W173 V196 L206 S208 Y239 I243	W173-I194 HydrophobicContact CD2-CG1 4.3Å; W173-I194 HydrophobicContact CE3-CD1 3.46Å; W173-I194 VanDerWaalsContact CE3-CD1 3.46Å; W173-I194 HydrophobicContact CE3-CG1 3.41Å; W173-I194 VanDerWaalsContact CE3-CG1 3.41Å; W173-I194 HydrophobicContact CZ3-CD1 3.36Å; W173-I194 HydrophobicContact CZ3-CG1 3.73Å; I194-V196 HydrophobicContact CG2-CG2 4.08Å; I194-L206 HydrophobicContact CG2-CD2 4.19Å; I194-S208 PolarHBondContact N-O 3.15Å; I194-S208 PolarHBondContact O-N 3.37Å; I194-Y239 HydrophobicContact CD1-CD1 4.46Å; I194-Y239 HydrophobicContact CD1-CE1 3.75Å; I194-Y239 HydrophobicContact CG1-CE1 3.92Å; I194-I243 HydrophobicContact CD1-CD1 3.38Å; I194-I243 HydrophobicContact CG1-CD1 4.5Å
195	Q	98.4	Very high	97.2	Very high	23 Å²	23	56.8 Å²	56.8	11%	0.107	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.6	169.3	-169.4	171.1	7.4	0	0	110.1	P26 G171 R172 L206 V207	P26-Q195 VanDerWaalsContact CD-CD 3.43Å; P26-Q195 HydrophobicContact CG-CB 4.23Å; P26-Q195 HydrophobicContact CG-CG 4.11Å; G171-Q195 CarbonylContact C-O 3.57Å; G171-Q195 WeakPolarHBondContact CA-O 3.13Å; R172-Q195 PolarHBondContact N-O 3.42Å; R172-Q195 PolarHBondContact O-N 3.3Å; Q195-L206 CarbonylContact C-O 3.6Å; Q195-L206 VanDerWaalsContact CA-O 3.26Å; Q195-L206 WeakPolarHBondContact CA-O 3.42Å; Q195-V207 HydrophobicContact CG-CG2 4.37Å
196	V	98.3	Very high	97.4	Very high	52 Å²	52	55.9 Å²	55.9	32%	0.315	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.8	174	-176.6	0	0	0	0	108.5	N170 I194 Q205 L206	N170-V196 CarbonylContact O-C 3.56Å; N170-V196 WeakPolarHBondContact O-CA 3.3Å; I194-V196 HydrophobicContact CG2-CG2 4.08Å; V196-Q205 CarbonylContact O-C 3.49Å; V196-Q205 VanDerWaalsContact O-CA 3.25Å; V196-Q205 WeakPolarHBondContact O-CA 3.15Å; V196-L206 HydrophobicContact CB-CB 4.12Å; V196-L206 HydrophobicContact CG2-CD2 4.26Å; V196-L206 PolarHBondContact N-O 3.48Å; V196-L206 PolarHBondContact O-N 3.3Å
197	H	98.5	Very high	97.6	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.046	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.2	176.4	-176.7	-150.1	0	0	0	109.1	P25 E28 W169 N170 Y199 N203 Q205	P25-H197 HydrophobicContact CB-CB 4.2Å; E28-H197 IonicContact OE1-CE1 3.7Å; E28-H197 IonicContact OE1-CG 2.79Å; E28-H197 IonicContact OE1-ND1 3.32Å; E28-H197 PolarHBondContact OE1-ND1 3.24Å; E28-H197 IonicContact OE2-CE1 3.67Å; E28-H197 PolarHBondContact OE2-CE1 3.44Å; E28-H197 IonicContact OE2-ND1 3.39Å; E28-H197 PolarHBondContact OE2-ND1 3.34Å; W169-H197 CarbonylContact C-O 3.49Å; W169-H197 WeakPolarHBondContact CA-O 3.48Å; N170-H197 PolarHBondContact N-O 3.07Å; N170-H197 PolarHBondContact O-N 3.2Å; H197-Y199 AromaticContact CE1-CD1 3.59Å; H197-Y199 AromaticContact ND1-CD1 3.59Å; H197-N203 PolarHBondContact CD2-OD1 3Å; H197-N203 VanDerWaalsContact CD2-OD1 3.31Å; H197-N203 PolarHBondContact NE2-OD1 2.91Å; H197-Q205 HydrophobicContact CB-CG 4.15Å; H197-Q205 WeakPolarHBondContact CD2-CG 3.32Å; H197-Q205 PolarHBondContact CD2-NE2 2.84Å
198	Y	98.4	Very high	97.7	Very high	95 Å²	95	58.5 Å²	58.5	37%	0.373	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.3	172.2	176.1	-93.5	0	0	0	108.6	F168 W169 E200 V204	F168-Y198 WeakPolarHBondContact O-CA 3.38Å; W169-Y198 HydrophobicContact CB-CD2 3.98Å; Y198-E200 HydrophobicContact CE1-CB 3.84Å; Y198-E200 HydrophobicContact CE2-CB 4Å; Y198-E200 VanDerWaalsContact CZ-CB 3.44Å; Y198-E200 VanDerWaalsContact OH-CB 3.3Å; Y198-E200 WeakPolarHBondContact OH-CB 3.49Å; Y198-E200 PolarHBondContact OH-OE2 2.98Å; Y198-V204 PolarHBondContact N-O 2.79Å; Y198-V204 PolarHBondContact O-N 2.73Å
199	Y	97.6	Very high	97.7	Very high	60 Å²	60	64.3 Å²	64.3	24%	0.235	34%	0.343	C	S	.	.			trans	-138.2	25.8	-169.1	56.8	-90.8	0	0	0	114.8	P165 F168 H197 G202	P165-Y199 WeakPolarHBondContact CA-OH 3.29Å; F168-Y199 VanDerWaalsContact C-CE1 3.44Å; F168-Y199 HydrophobicContact CB-CD2 3.87Å; F168-Y199 HydrophobicContact CB-CE2 3.85Å; F168-Y199 HydrophobicContact CB-CG 4.32Å; F168-Y199 AromaticContact CD1-CD2 3.9Å; F168-Y199 HydrophobicContact CD1-CD2 3.9Å; F168-Y199 AromaticContact CD1-CE2 3.66Å; F168-Y199 HydrophobicContact CD1-CE2 3.66Å; F168-Y199 HydrophobicContact CG-CD2 4.4Å; F168-Y199 HydrophobicContact CG-CE2 4.24Å; F168-Y199 VanDerWaalsContact O-CD1 3.25Å; F168-Y199 WeakPolarHBondContact O-CD1 3.46Å; F168-Y199 WeakPolarHBondContact O-CE1 3.48Å; F168-Y199 PolarHBondContact O-N 2.69Å; H197-Y199 AromaticContact CE1-CD1 3.59Å; H197-Y199 AromaticContact ND1-CD1 3.59Å; Y199-G202 CarbonylContact C-O 3.57Å; Y199-G202 VanDerWaalsContact C-O 3.29Å; Y199-G202 WeakPolarHBondContact CA-O 3.05Å
200	E	97.4	Very high	97.7	Very high	83 Å²	83	63.1 Å²	63.1	39%	0.388	33%	0.332	S	S	.	.	S	Bend	trans	-79.9	121.7	168.5	-158.9	172.6	-151.1	0	0	109.4	F168 Y198 G202	F168-E200 HydrophobicContact CB-CB 3.82Å; F168-E200 HydrophobicContact CB-CG 4.45Å; F168-E200 HydrophobicContact CD2-CB 4.09Å; F168-E200 HydrophobicContact CD2-CG 3.77Å; F168-E200 HydrophobicContact CE2-CG 4.29Å; F168-E200 HydrophobicContact CG-CB 4.06Å; F168-E200 HydrophobicContact CG-CG 4.19Å; Y198-E200 HydrophobicContact CE1-CB 3.84Å; Y198-E200 HydrophobicContact CE2-CB 4Å; Y198-E200 VanDerWaalsContact CZ-CB 3.44Å; Y198-E200 VanDerWaalsContact OH-CB 3.3Å; Y198-E200 WeakPolarHBondContact OH-CB 3.49Å; Y198-E200 PolarHBondContact OH-OE2 2.98Å; E200-G202 PolarHBondContact O-N 2.98Å
201	D	95	Very high	97.7	Very high	175 Å²	175	68.6 Å²	68.6	94%	0.936	36%	0.361	S	S	*	.	S	Bend	trans	52.4	21.6	179.5	-63.1	-34	0	0	0	115.3
202	G	95.5	Very high	97.6	Very high	44 Å²	44	68.3 Å²	68.3	45%	0.454	36%	0.359	S	S	.	.	S	Bend	trans	177.9	-169.6	-175.9	0	0	0	0	0	112.1	Y199 E200	Y199-G202 CarbonylContact C-O 3.57Å; Y199-G202 VanDerWaalsContact C-O 3.29Å; Y199-G202 WeakPolarHBondContact CA-O 3.05Å; E200-G202 PolarHBondContact O-N 2.98Å
203	N	96.3	Very high	97.6	Very high	108 Å²	108	75.9 Å²	75.9	58%	0.578	39%	0.394	S	S	*	.			trans	-142.6	112.7	171.8	175.6	-4	0	0	0	108.4	H197	H197-N203 PolarHBondContact CD2-OD1 3Å; H197-N203 VanDerWaalsContact CD2-OD1 3.31Å; H197-N203 PolarHBondContact NE2-OD1 2.91Å
204	V	97.1	Very high	97.5	Very high	97 Å²	97	75 Å²	75	59%	0.588	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.5	178	-177.6	0	0	0	0	108.6	Y198	Y198-V204 PolarHBondContact N-O 2.79Å; Y198-V204 PolarHBondContact O-N 2.73Å
205	Q	96.9	Very high	97.4	Very high	87 Å²	87	76.8 Å²	76.8	41%	0.407	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.9	176.8	-67.5	-172.6	22.6	0	0	111.7	V196 H197	V196-Q205 CarbonylContact O-C 3.49Å; V196-Q205 VanDerWaalsContact O-CA 3.25Å; V196-Q205 WeakPolarHBondContact O-CA 3.15Å; H197-Q205 HydrophobicContact CB-CG 4.15Å; H197-Q205 WeakPolarHBondContact CD2-CG 3.32Å; H197-Q205 PolarHBondContact CD2-NE2 2.84Å
206	L	97.4	Very high	97.1	Very high	38 Å²	38	76.4 Å²	76.4	20%	0.199	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.4	162.5	171	59.6	0	0	0	107.8	I194 Q195 V196 Y247	I194-L206 HydrophobicContact CG2-CD2 4.19Å; Q195-L206 CarbonylContact C-O 3.6Å; Q195-L206 VanDerWaalsContact CA-O 3.26Å; Q195-L206 WeakPolarHBondContact CA-O 3.42Å; V196-L206 HydrophobicContact CB-CB 4.12Å; V196-L206 HydrophobicContact CG2-CD2 4.26Å; V196-L206 PolarHBondContact N-O 3.48Å; V196-L206 PolarHBondContact O-N 3.3Å; L206-Y247 HydrophobicContact CD1-CE2 4.34Å; L206-Y247 WeakPolarHBondContact CD1-OH 3.47Å; L206-Y247 HydrophobicContact CD2-CE2 3.97Å; L206-Y247 WeakPolarHBondContact CD2-OH 3.32Å; L206-Y247 WeakPolarHBondContact CG-OH 3.47Å
207	V	97.9	Very high	97	Very high	104 Å²	104	78.5 Å²	78.5	63%	0.63	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.6	166.6	-177.9	0	0	0	0	106.9	Q195	Q195-V207 HydrophobicContact CG-CG2 4.37Å
208	S	98	Very high	96.7	Very high	31 Å²	31	79.1 Å²	79.1	22%	0.217	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.3	-179.4	-169	0	0	0	0	110.2	K193 I194 Y239	K193-S208 CarbonylContact C-O 3.49Å; K193-S208 WeakPolarHBondContact CA-O 3.3Å; I194-S208 PolarHBondContact N-O 3.15Å; I194-S208 PolarHBondContact O-N 3.37Å; S208-Y239 VanDerWaalsContact C-OH 3.27Å; S208-Y239 WeakPolarHBondContact CB-OH 3.49Å; S208-Y239 PolarHBondContact OG-OH 3.21Å
209	H	97.8	Very high	96.4	Very high	122 Å²	122	77.7 Å²	77.7	57%	0.565	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.3	169.6	65.6	-79.1	0	0	0	111.1	L192 K193 Y239	L192-H209 CarbonylContact O-C 3.58Å; L192-H209 WeakPolarHBondContact O-CA 3.44Å; L192-H209 VanDerWaalsContact O-CB 3.32Å; L192-H209 WeakPolarHBondContact O-CB 3.08Å; K193-H209 HydrophobicContact CG-CB 4.08Å; H209-Y239 PolarHBondContact N-OH 3.18Å
210	K	98.2	Very high	96.2	Very high	51 Å²	51	78.8 Å²	78.8	22%	0.222	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	126.4	172.2	-177.2	-179.8	-177.2	-177.1	0	108.8	V191 L192 V212 E238 Y239	V191-K210 WeakPolarHBondContact CA-O 2.96Å; L192-K210 HydrophobicContact CD1-CB 4.4Å; L192-K210 WeakPolarHBondContact CD1-O 3.19Å; L192-K210 PolarHBondContact N-O 3.24Å; L192-K210 PolarHBondContact O-N 2.78Å; K210-V212 HydrophobicContact CD-CG2 4.49Å; K210-V212 HydrophobicContact CG-CG2 4.35Å; K210-E238 IonicContact NZ-OE1 2.73Å; K210-E238 PolarHBondContact NZ-OE1 3.04Å; K210-E238 IonicContact NZ-OE2 3.37Å; K210-Y239 HydrophobicContact CB-CD2 3.82Å; K210-Y239 HydrophobicContact CB-CE2 3.74Å; K210-Y239 HydrophobicContact CB-CG 4.29Å; K210-Y239 HydrophobicContact CD-CD2 3.74Å; K210-Y239 HydrophobicContact CD-CE2 4.49Å; K210-Y239 HydrophobicContact CD-CG 4.06Å; K210-Y239 HydrophobicContact CG-CD2 4.38Å
211	D	98.4	Very high	96	Very high	116 Å²	116	78 Å²	78	62%	0.62	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	140.5	169.4	-59	-50.2	0	0	0	109.4	G190 V191	G190-D211 CarbonylContact O-C 3.49Å; G190-D211 WeakPolarHBondContact O-CA 3.46Å; V191-D211 WeakPolarHBondContact CG2-OD1 3.32Å
212	V	98	Very high	96	Very high	21 Å²	21	72.2 Å²	72.2	13%	0.127	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.4	-179	179.6	0	0	0	0	108.4	W177 V189 G190 L192 K210 A235	W177-V212 HydrophobicContact CH2-CB 4.07Å; W177-V212 HydrophobicContact CH2-CG1 4.09Å; W177-V212 HydrophobicContact CH2-CG2 4.07Å; W177-V212 HydrophobicContact CZ3-CB 3.96Å; W177-V212 HydrophobicContact CZ3-CG1 3.84Å; W177-V212 HydrophobicContact CZ3-CG2 4.47Å; V189-V212 CarbonylContact C-O 3.29Å; V189-V212 WeakPolarHBondContact CA-O 3.35Å; G190-V212 PolarHBondContact N-O 2.9Å; G190-V212 PolarHBondContact O-N 2.97Å; L192-V212 HydrophobicContact CD1-CG2 3.5Å; K210-V212 HydrophobicContact CD-CG2 4.49Å; K210-V212 HydrophobicContact CG-CG2 4.35Å; V212-A235 HydrophobicContact CG1-CB 4.42Å; V212-A235 HydrophobicContact CG2-CB 4.36Å
213	Q	97.8	Very high	96	Very high	159 Å²	159	73.8 Å²	73.8	74%	0.743	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.2	171.9	-172.9	174.9	2.7	0	0	108.5	V188	V188-Q213 WeakPolarHBondContact O-CA 3.26Å
214	D	96.8	Very high	95.9	Very high	73 Å²	73	68.7 Å²	68.7	39%	0.39	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	175.5	-179.3	-153.3	-13	0	0	0	110.3	V188 I231	V188-D214 HydrophobicContact CB-CB 4.29Å; V188-D214 PolarHBondContact N-O 3.38Å; V188-D214 PolarHBondContact O-N 3.35Å; D214-I231 HydrophobicContact CB-CG2 4.3Å
215	S	95.2	Very high	95.9	Very high	63 Å²	63	64.1 Å²	64.1	44%	0.441	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.8	174.8	65.5	0	0	0	0	111.3	A186	A186-S215 CarbonylContact O-C 3.58Å; A186-S215 VanDerWaalsContact O-CA 3.23Å; A186-S215 WeakPolarHBondContact O-CA 3.32Å
216	L	93.8	Very high	95.9	Very high	15 Å²	15	66.5 Å²	66.5	8%	0.079	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.7	176.4	67.6	87.3	0	0	0	111.5	F179 T185 A186 V188 V218 T224 F228 I231	F179-L216 HydrophobicContact CD2-CD2 4.26Å; F179-L216 HydrophobicContact CE2-CD1 3.86Å; F179-L216 HydrophobicContact CE2-CD2 3.76Å; F179-L216 HydrophobicContact CE2-CG 3.95Å; F179-L216 HydrophobicContact CZ-CD1 4.33Å; T185-L216 CarbonylContact C-O 3.42Å; T185-L216 WeakPolarHBondContact CA-O 3.32Å; A186-L216 HydrophobicContact CB-CD1 4.27Å; A186-L216 HydrophobicContact CB-CG 4.35Å; A186-L216 PolarHBondContact N-O 3.16Å; A186-L216 PolarHBondContact O-N 2.91Å; V188-L216 HydrophobicContact CG2-CD2 4.02Å; L216-V218 HydrophobicContact CD1-CG2 4.48Å; L216-T224 HydrophobicContact CD1-CG2 3.54Å; L216-F228 HydrophobicContact CD2-CB 4.2Å; L216-I231 HydrophobicContact CB-CD1 4.14Å; L216-I231 HydrophobicContact CD2-CD1 3.65Å; L216-I231 HydrophobicContact CG-CD1 4.5Å
217	T	94.2	Very high	95.9	Very high	96 Å²	96	67.8 Å²	67.8	59%	0.589	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.4	176.2	-57.2	0	0	0	0	109.3
218	V	93.2	Very high	95.9	Very high	24 Å²	24	62.9 Å²	62.9	15%	0.145	34%	0.336	C	S	.	.			trans	-78.9	126.2	-178.6	-179.9	0	0	0	0	109.1	W120 I181 P184 T185 A186 L216	W120-V218 HydrophobicContact CH2-CG1 3.43Å; W120-V218 VanDerWaalsContact CH2-CG1 3.43Å; W120-V218 HydrophobicContact CZ2-CG1 3.98Å; W120-V218 HydrophobicContact CZ3-CG1 4.23Å; I181-V218 HydrophobicContact CG2-CG1 4.36Å; I181-V218 HydrophobicContact CG2-CG2 4.26Å; P184-V218 PolarHBondContact O-N 3.4Å; T185-V218 VanDerWaalsContact C-CG2 3.46Å; T185-V218 WeakPolarHBondContact O-CG2 3.29Å; A186-V218 HydrophobicContact CB-CG2 3.51Å; L216-V218 HydrophobicContact CD1-CG2 4.48Å
219	S	91.9	Very high	95.9	Very high	65 Å²	65	62.1 Å²	62.1	46%	0.455	33%	0.33	S	S	.	.			trans	-116.3	-112.7	175.4	60.8	0	0	0	0	110.4	Q223 T224	S219-Q223 WeakPolarHBondContact OG-CG 3.44Å; S219-T224 PolarHBondContact N-OG1 3.37Å; S219-T224 VanDerWaalsContact N-OG1 3.11Å; S219-T224 PolarHBondContact OG-OG1 3.36Å
220	N	93.1	Very high	95.9	Very high	83 Å²	83	62.3 Å²	62.3	44%	0.444	33%	0.329	S	S	.	.			trans	-98	165.8	168.3	63.8	69.4	0	0	0	110.5	A222 Q223 T224	N220-A222 PolarHBondContact O-N 3.06Å; N220-A222 PolarHBondContact OD1-N 3.45Å; N220-Q223 PolarHBondContact O-N 2.84Å; N220-Q223 WeakPolarHBondContact OD1-CB 3.24Å; N220-Q223 PolarHBondContact OD1-N 2.92Å; N220-T224 WeakPolarHBondContact O-CB 3.27Å; N220-T224 PolarHBondContact O-N 3.49Å; N220-T224 PolarHBondContact O-OG1 2.88Å
221	E	93.3	Very high	95.9	Very high	66 Å²	66	61 Å²	61	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-57.6	-45.8	-174.7	-62.8	96.2	147.7	0	0	112.6	S119 W120 A225	S119-E221 PolarHBondContact OG-OE1 3.13Å; W120-E221 HydrophobicContact CD2-CB 4.27Å; W120-E221 HydrophobicContact CD2-CG 3.59Å; W120-E221 VanDerWaalsContact CE2-CG 3.48Å; W120-E221 HydrophobicContact CE3-CB 4.32Å; W120-E221 HydrophobicContact CE3-CG 4.12Å; W120-E221 HydrophobicContact CG-CG 3.83Å; W120-E221 HydrophobicContact CH2-CG 4.32Å; W120-E221 HydrophobicContact CZ2-CG 3.86Å; W120-E221 HydrophobicContact CZ3-CG 4.46Å; E221-A225 VanDerWaalsContact O-CB 3.24Å; E221-A225 WeakPolarHBondContact O-CB 3.24Å; E221-A225 PolarHBondContact O-N 3.37Å
222	A	94.7	Very high	95.9	Very high	53 Å²	53	55.5 Å²	55.5	44%	0.438	29%	0.294	S	S	.	.	H	α-helix	trans	-69.9	-42.5	-175.3	0	0	0	0	0	112.7	N220 K226	N220-A222 PolarHBondContact O-N 3.06Å; N220-A222 PolarHBondContact OD1-N 3.45Å; A222-K226 WeakPolarHBondContact O-CG 3.2Å; A222-K226 PolarHBondContact O-N 3.37Å
223	Q	95.4	Very high	95.9	Very high	78 Å²	78	57.8 Å²	57.8	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-69.9	-43.3	179.2	180	58.3	29.1	0	0	110.8	S219 N220 A225 K226 E227	S219-Q223 WeakPolarHBondContact OG-CG 3.44Å; N220-Q223 PolarHBondContact O-N 2.84Å; N220-Q223 WeakPolarHBondContact OD1-CB 3.24Å; N220-Q223 PolarHBondContact OD1-N 2.92Å; Q223-A225 VanDerWaalsContact C-N 3.34Å; Q223-A225 PolarHBondContact O-N 3.29Å; Q223-K226 WeakPolarHBondContact O-CB 3.25Å; Q223-K226 PolarHBondContact O-N 2.93Å; Q223-E227 PolarHBondContact NE2-OE1 3.14Å; Q223-E227 PolarHBondContact O-N 3.01Å
224	T	95.6	Very high	95.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-39.4	178.4	-54	0	0	0	0	111.6	W120 F179 L216 S219 N220 K226 E227 F228	W120-T224 HydrophobicContact CH2-CG2 4.27Å; W120-T224 VanDerWaalsContact CZ3-CB 3.48Å; W120-T224 HydrophobicContact CZ3-CG2 3.58Å; F179-T224 HydrophobicContact CE1-CG2 4.32Å; F179-T224 HydrophobicContact CE2-CG2 4.09Å; F179-T224 HydrophobicContact CZ-CG2 3.48Å; F179-T224 VanDerWaalsContact CZ-CG2 3.48Å; L216-T224 HydrophobicContact CD1-CG2 3.54Å; S219-T224 PolarHBondContact N-OG1 3.37Å; S219-T224 VanDerWaalsContact N-OG1 3.11Å; S219-T224 PolarHBondContact OG-OG1 3.36Å; N220-T224 WeakPolarHBondContact O-CB 3.27Å; N220-T224 PolarHBondContact O-N 3.49Å; N220-T224 PolarHBondContact O-OG1 2.88Å; T224-K226 VanDerWaalsContact C-N 3.33Å; T224-K226 PolarHBondContact O-N 2.94Å; T224-E227 PolarHBondContact O-N 2.97Å; T224-F228 WeakPolarHBondContact O-CB 3.45Å; T224-F228 PolarHBondContact O-N 3.47Å
225	A	96.6	Very high	96	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-44.1	173.3	0	0	0	0	0	111.7	A127 E221 Q223 E227 F228 I229	A127-A225 HydrophobicContact CB-CB 4.41Å; E221-A225 VanDerWaalsContact O-CB 3.24Å; E221-A225 WeakPolarHBondContact O-CB 3.24Å; E221-A225 PolarHBondContact O-N 3.37Å; Q223-A225 VanDerWaalsContact C-N 3.34Å; Q223-A225 PolarHBondContact O-N 3.29Å; A225-E227 PolarHBondContact O-N 2.88Å; A225-F228 PolarHBondContact O-N 3.31Å; A225-I229 WeakPolarHBondContact O-CG1 3.39Å; A225-I229 PolarHBondContact O-N 3.09Å
226	K	96.7	Very high	96.2	Very high	136 Å²	136	48.8 Å²	48.8	59%	0.591	26%	0.257	S	S	*	.	H	α-helix	trans	-62.5	-42.3	176.7	-71.3	173.7	-179	178.9	0	112.7	A222 Q223 T224 I229 K230	A222-K226 WeakPolarHBondContact O-CG 3.2Å; A222-K226 PolarHBondContact O-N 3.37Å; Q223-K226 WeakPolarHBondContact O-CB 3.25Å; Q223-K226 PolarHBondContact O-N 2.93Å; T224-K226 VanDerWaalsContact C-N 3.33Å; T224-K226 PolarHBondContact O-N 2.94Å; K226-I229 PolarHBondContact O-N 3.47Å; K226-K230 WeakPolarHBondContact O-CB 3.01Å; K226-K230 PolarHBondContact O-N 3.02Å
227	E	96.9	Very high	96.4	Very high	65 Å²	65	50.8 Å²	50.8	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-65.8	-40.6	177	-73.2	175.1	-161.7	0	0	111.6	Q223 T224 A225 K230 I231	Q223-E227 PolarHBondContact NE2-OE1 3.14Å; Q223-E227 PolarHBondContact O-N 3.01Å; T224-E227 PolarHBondContact O-N 2.97Å; A225-E227 PolarHBondContact O-N 2.88Å; E227-K230 WeakPolarHBondContact O-CB 3.34Å; E227-K230 PolarHBondContact O-N 3.21Å; E227-I231 WeakPolarHBondContact O-CG1 3.44Å; E227-I231 PolarHBondContact O-N 2.98Å; E227-I231 VanDerWaalsContact O-N 3.08Å
228	F	97.5	Very high	96.6	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-60.2	-47.2	174	177.5	-130.1	0	0	0	112	A156 W177 F179 V188 L216 T224 A225 K230 I231 I232	A156-F228 HydrophobicContact CB-CE1 4.07Å; A156-F228 HydrophobicContact CB-CZ 4.27Å; W177-F228 HydrophobicContact CB-CE2 4.09Å; W177-F228 HydrophobicContact CB-CZ 3.65Å; F179-F228 HydrophobicContact CB-CD2 4.42Å; F179-F228 HydrophobicContact CB-CE1 4.42Å; F179-F228 HydrophobicContact CB-CE2 4.02Å; F179-F228 HydrophobicContact CB-CZ 4Å; F179-F228 HydrophobicContact CD2-CD2 4.26Å; V188-F228 HydrophobicContact CG1-CD2 4.42Å; V188-F228 HydrophobicContact CG1-CE2 3.98Å; V188-F228 HydrophobicContact CG2-CD2 4.15Å; V188-F228 HydrophobicContact CG2-CE2 4.34Å; L216-F228 HydrophobicContact CD2-CB 4.2Å; T224-F228 WeakPolarHBondContact O-CB 3.45Å; T224-F228 PolarHBondContact O-N 3.47Å; A225-F228 PolarHBondContact O-N 3.31Å; F228-K230 VanDerWaalsContact C-N 3.29Å; F228-K230 PolarHBondContact O-N 3.39Å; F228-I231 WeakPolarHBondContact O-CB 3.3Å; F228-I231 PolarHBondContact O-N 3.23Å; F228-I231 VanDerWaalsContact O-N 3.15Å; F228-I232 HydrophobicContact CD1-CD1 4.38Å; F228-I232 HydrophobicContact CE1-CD1 3.97Å; F228-I232 HydrophobicContact CE2-CD1 4.14Å; F228-I232 HydrophobicContact CE2-CG1 4.32Å; F228-I232 HydrophobicContact CZ-CD1 3.85Å; F228-I232 WeakPolarHBondContact O-CG1 3.47Å; F228-I232 PolarHBondContact O-N 2.85Å; F228-I232 VanDerWaalsContact O-N 3.14Å
229	I	98.1	Very high	96.8	Very high	15 Å²	15	51.2 Å²	51.2	8%	0.077	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-37	175.9	-63.2	-41.2	0	0	0	111.9	A127 L128 Y131 A225 K226 I231 I232 E233	A127-I229 HydrophobicContact CB-CG1 3.67Å; L128-I229 HydrophobicContact CB-CD1 3.83Å; L128-I229 HydrophobicContact CD1-CD1 3.6Å; L128-I229 HydrophobicContact CG-CD1 4.33Å; Y131-I229 HydrophobicContact CD2-CG2 3.99Å; Y131-I229 HydrophobicContact CG-CG2 3.83Å; A225-I229 WeakPolarHBondContact O-CG1 3.39Å; A225-I229 PolarHBondContact O-N 3.09Å; K226-I229 PolarHBondContact O-N 3.47Å; I229-I231 VanDerWaalsContact C-N 3.29Å; I229-I231 PolarHBondContact O-N 3.23Å; I229-I232 HydrophobicContact CD1-CD1 3.97Å; I229-I232 WeakPolarHBondContact O-CB 3.23Å; I229-I232 PolarHBondContact O-N 3.44Å; I229-E233 WeakPolarHBondContact O-CB 3.38Å; I229-E233 PolarHBondContact O-N 3.42Å
230	K	98.1	Very high	97.1	Very high	127 Å²	127	54.1 Å²	54.1	55%	0.552	27%	0.268	S	S	*	.	H	α-helix	trans	-63.1	-35.5	176	-172.6	177.6	-179	-178.5	0	112.5	K226 E227 F228 N234	K226-K230 WeakPolarHBondContact O-CB 3.01Å; K226-K230 PolarHBondContact O-N 3.02Å; E227-K230 WeakPolarHBondContact O-CB 3.34Å; E227-K230 PolarHBondContact O-N 3.21Å; F228-K230 VanDerWaalsContact C-N 3.29Å; F228-K230 PolarHBondContact O-N 3.39Å; K230-N234 WeakPolarHBondContact O-CB 3.49Å; K230-N234 PolarHBondContact O-N 2.67Å; K230-N234 PolarHBondContact O-ND2 3.23Å; K230-N234 VanDerWaalsContact O-ND2 3.12Å
231	I	98.1	Very high	97.4	Very high	23 Å²	23	53.4 Å²	53.4	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-46.5	173.5	-67.2	166.6	0	0	0	110	V188 D214 L216 E227 F228 I229 N234 A235	V188-I231 HydrophobicContact CG1-CG2 4.4Å; V188-I231 HydrophobicContact CG2-CD1 4.32Å; D214-I231 HydrophobicContact CB-CG2 4.3Å; L216-I231 HydrophobicContact CB-CD1 4.14Å; L216-I231 HydrophobicContact CD2-CD1 3.65Å; L216-I231 HydrophobicContact CG-CD1 4.5Å; E227-I231 WeakPolarHBondContact O-CG1 3.44Å; E227-I231 PolarHBondContact O-N 2.98Å; E227-I231 VanDerWaalsContact O-N 3.08Å; F228-I231 WeakPolarHBondContact O-CB 3.3Å; F228-I231 PolarHBondContact O-N 3.23Å; F228-I231 VanDerWaalsContact O-N 3.15Å; I229-I231 VanDerWaalsContact C-N 3.29Å; I229-I231 PolarHBondContact O-N 3.23Å; I231-N234 PolarHBondContact O-N 2.88Å; I231-A235 VanDerWaalsContact O-CB 3.28Å; I231-A235 WeakPolarHBondContact O-CB 3.2Å; I231-A235 PolarHBondContact O-N 2.95Å
232	I	98.5	Very high	97.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-53.3	176.3	-62.3	176.6	0	0	0	110.1	L128 Y131 I158 W177 F228 I229 N234 A235 E236	L128-I232 HydrophobicContact CD1-CD1 4.07Å; Y131-I232 HydrophobicContact CD1-CG2 4.49Å; Y131-I232 HydrophobicContact CE1-CG2 3.76Å; I158-I232 HydrophobicContact CD1-CG2 4.25Å; W177-I232 HydrophobicContact CB-CD1 4.28Å; W177-I232 HydrophobicContact CD2-CD1 4.25Å; W177-I232 HydrophobicContact CD2-CG1 3.72Å; W177-I232 HydrophobicContact CE3-CG1 4.17Å; W177-I232 HydrophobicContact CG-CD1 3.88Å; W177-I232 HydrophobicContact CG-CG1 3.91Å; W177-I232 HydrophobicContact CZ2-CB 4.39Å; W177-I232 HydrophobicContact CZ2-CG1 4.31Å; W177-I232 HydrophobicContact CZ2-CG2 4.16Å; F228-I232 HydrophobicContact CD1-CD1 4.38Å; F228-I232 HydrophobicContact CE1-CD1 3.97Å; F228-I232 HydrophobicContact CE2-CD1 4.14Å; F228-I232 HydrophobicContact CE2-CG1 4.32Å; F228-I232 HydrophobicContact CZ-CD1 3.85Å; F228-I232 WeakPolarHBondContact O-CG1 3.47Å; F228-I232 PolarHBondContact O-N 2.85Å; F228-I232 VanDerWaalsContact O-N 3.14Å; I229-I232 HydrophobicContact CD1-CD1 3.97Å; I229-I232 WeakPolarHBondContact O-CB 3.23Å; I229-I232 PolarHBondContact O-N 3.44Å; I232-N234 PolarHBondContact O-N 3.19Å; I232-A235 PolarHBondContact O-N 3.47Å; I232-E236 HydrophobicContact CG2-CG 4.01Å; I232-E236 WeakPolarHBondContact O-CB 3.49Å; I232-E236 VanDerWaalsContact O-CG 3.28Å; I232-E236 WeakPolarHBondContact O-CG 3.25Å; I232-E236 PolarHBondContact O-N 3.38Å
233	E	98.6	Very high	97.6	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	26%	0.255	S	S	.	.	H	α-helix	trans	-54.9	-50.8	-179.8	179	179.7	-179.9	0	0	112	Y131 H135 I229 A235 N237	Y131-E233 HydrophobicContact CD2-CB 4.17Å; Y131-E233 HydrophobicContact CE2-CB 3.56Å; Y131-E233 HydrophobicContact CE2-CG 3.9Å; H135-E233 IonicContact NE2-OE1 3.72Å; I229-E233 WeakPolarHBondContact O-CB 3.38Å; I229-E233 PolarHBondContact O-N 3.42Å; E233-A235 PolarHBondContact O-N 3.4Å; E233-N237 WeakPolarHBondContact CG-ND2 3.42Å; E233-N237 WeakPolarHBondContact O-CB 3.38Å; E233-N237 PolarHBondContact O-N 3.09Å; E233-N237 PolarHBondContact O-ND2 2.92Å; E233-N237 VanDerWaalsContact O-ND2 3.12Å
234	N	98.4	Very high	97.6	Very high	91 Å²	91	50.9 Å²	50.9	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-45.1	-179.7	-70	-26.8	0	0	0	111.7	K230 I231 I232 E238	K230-N234 WeakPolarHBondContact O-CB 3.49Å; K230-N234 PolarHBondContact O-N 2.67Å; K230-N234 PolarHBondContact O-ND2 3.23Å; K230-N234 VanDerWaalsContact O-ND2 3.12Å; I231-N234 PolarHBondContact O-N 2.88Å; I232-N234 PolarHBondContact O-N 3.19Å; N234-E238 VanDerWaalsContact O-CB 3.28Å; N234-E238 WeakPolarHBondContact O-CB 3.19Å; N234-E238 PolarHBondContact O-N 3.07Å
235	A	98.4	Very high	97.6	Very high	10 Å²	10	56.6 Å²	56.6	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-69.7	-39.6	-177.2	0	0	0	0	0	112.6	W177 V212 I231 I232 E233 Y239	W177-A235 HydrophobicContact CH2-CB 3.62Å; W177-A235 HydrophobicContact CZ2-CB 4.3Å; V212-A235 HydrophobicContact CG1-CB 4.42Å; V212-A235 HydrophobicContact CG2-CB 4.36Å; I231-A235 VanDerWaalsContact O-CB 3.28Å; I231-A235 WeakPolarHBondContact O-CB 3.2Å; I231-A235 PolarHBondContact O-N 2.95Å; I232-A235 PolarHBondContact O-N 3.47Å; E233-A235 PolarHBondContact O-N 3.4Å; A235-Y239 VanDerWaalsContact O-CB 3.28Å; A235-Y239 WeakPolarHBondContact O-CB 3.33Å; A235-Y239 PolarHBondContact O-N 3.35Å
236	E	98.6	Very high	97.5	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.019	31%	0.308	C	S	.	.	H	α-helix	trans	-67.6	-43.3	175.9	-67.1	-166.1	159.2	0	0	111.1	Y131 Y136 W173 S175 W177 L192 I232 Y239 Q240	Y131-E236 WeakPolarHBondContact CE1-OE2 3.23Å; Y131-E236 PolarHBondContact OH-OE2 3.46Å; Y136-E236 PolarHBondContact OH-OE1 2.95Å; Y136-E236 PolarHBondContact OH-OE2 3.48Å; W173-E236 HydrophobicContact CH2-CB 4.33Å; W173-E236 HydrophobicContact CH2-CG 4.4Å; W173-E236 HydrophobicContact CZ2-CB 4.16Å; W173-E236 HydrophobicContact CZ2-CG 3.8Å; S175-E236 VanDerWaalsContact CB-OE1 3.23Å; S175-E236 WeakPolarHBondContact CB-OE1 3.32Å; S175-E236 PolarHBondContact OG-OE1 3.37Å; W177-E236 HydrophobicContact CZ2-CG 4.13Å; L192-E236 HydrophobicContact CD2-CB 4.33Å; L192-E236 HydrophobicContact CD2-CG 3.68Å; I232-E236 HydrophobicContact CG2-CG 4.01Å; I232-E236 WeakPolarHBondContact O-CB 3.49Å; I232-E236 VanDerWaalsContact O-CG 3.28Å; I232-E236 WeakPolarHBondContact O-CG 3.25Å; I232-E236 PolarHBondContact O-N 3.38Å; E236-Y239 PolarHBondContact O-N 2.88Å; E236-Q240 WeakPolarHBondContact O-CB 3.31Å; E236-Q240 PolarHBondContact O-N 2.9Å
237	N	98.4	Very high	97.2	Very high	57 Å²	57	59.2 Å²	59.2	31%	0.305	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-44.5	175.5	-75.8	-27.8	0	0	0	112.3	E233 Y239 Q240 T241	E233-N237 WeakPolarHBondContact CG-ND2 3.42Å; E233-N237 WeakPolarHBondContact O-CB 3.38Å; E233-N237 PolarHBondContact O-N 3.09Å; E233-N237 PolarHBondContact O-ND2 2.92Å; E233-N237 VanDerWaalsContact O-ND2 3.12Å; N237-Y239 VanDerWaalsContact C-N 3.32Å; N237-Y239 PolarHBondContact O-N 2.88Å; N237-Q240 PolarHBondContact O-N 3.39Å; N237-T241 VanDerWaalsContact O-CB 3.32Å; N237-T241 WeakPolarHBondContact O-CB 3.25Å; N237-T241 PolarHBondContact O-N 3.08Å; N237-T241 PolarHBondContact O-OG1 2.9Å
238	E	98.4	Very high	96.8	Very high	118 Å²	118	61.7 Å²	61.7	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-61.1	-43.7	175.6	-171.6	-161.3	127.1	0	0	110.6	K210 N234 T241 A242	K210-E238 IonicContact NZ-OE1 2.73Å; K210-E238 PolarHBondContact NZ-OE1 3.04Å; K210-E238 IonicContact NZ-OE2 3.37Å; N234-E238 VanDerWaalsContact O-CB 3.28Å; N234-E238 WeakPolarHBondContact O-CB 3.19Å; N234-E238 PolarHBondContact O-N 3.07Å; E238-T241 PolarHBondContact O-N 3.01Å; E238-A242 VanDerWaalsContact O-CB 3.25Å; E238-A242 WeakPolarHBondContact O-CB 3.49Å; E238-A242 PolarHBondContact O-N 3.18Å
239	Y	98.4	Very high	96.5	Very high	12 Å²	12	65.3 Å²	65.3	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-65.1	-45.3	179.2	-179.1	-134	0	0	0	112.4	W173 L192 I194 S208 H209 K210 A235 E236 N237 T241 A242 I243	W173-Y239 AromaticContact CH2-CD1 3.57Å; W173-Y239 HydrophobicContact CH2-CD1 3.57Å; W173-Y239 HydrophobicContact CH2-CE1 4.07Å; W173-Y239 AromaticContact CZ3-CD1 3.87Å; W173-Y239 HydrophobicContact CZ3-CD1 3.87Å; W173-Y239 HydrophobicContact CZ3-CE1 4.04Å; L192-Y239 HydrophobicContact CB-CD1 3.83Å; L192-Y239 HydrophobicContact CB-CE1 3.73Å; L192-Y239 HydrophobicContact CD2-CD1 3.55Å; L192-Y239 HydrophobicContact CD2-CE1 4.32Å; L192-Y239 HydrophobicContact CD2-CG 4.12Å; L192-Y239 HydrophobicContact CG-CD1 4.33Å; I194-Y239 HydrophobicContact CD1-CD1 4.46Å; I194-Y239 HydrophobicContact CD1-CE1 3.75Å; I194-Y239 HydrophobicContact CG1-CE1 3.92Å; S208-Y239 VanDerWaalsContact C-OH 3.27Å; S208-Y239 WeakPolarHBondContact CB-OH 3.49Å; S208-Y239 PolarHBondContact OG-OH 3.21Å; H209-Y239 PolarHBondContact N-OH 3.18Å; K210-Y239 HydrophobicContact CB-CD2 3.82Å; K210-Y239 HydrophobicContact CB-CE2 3.74Å; K210-Y239 HydrophobicContact CB-CG 4.29Å; K210-Y239 HydrophobicContact CD-CD2 3.74Å; K210-Y239 HydrophobicContact CD-CE2 4.49Å; K210-Y239 HydrophobicContact CD-CG 4.06Å; K210-Y239 HydrophobicContact CG-CD2 4.38Å; A235-Y239 VanDerWaalsContact O-CB 3.28Å; A235-Y239 WeakPolarHBondContact O-CB 3.33Å; A235-Y239 PolarHBondContact O-N 3.35Å; E236-Y239 PolarHBondContact O-N 2.88Å; N237-Y239 VanDerWaalsContact C-N 3.32Å; N237-Y239 PolarHBondContact O-N 2.88Å; Y239-T241 PolarHBondContact O-N 3.35Å; Y239-A242 PolarHBondContact O-N 3.26Å; Y239-I243 HydrophobicContact CD1-CD1 4.37Å; Y239-I243 HydrophobicContact CD2-CD1 4.03Å; Y239-I243 HydrophobicContact CD2-CG1 4.16Å; Y239-I243 HydrophobicContact CE1-CD1 3.9Å; Y239-I243 HydrophobicContact CE2-CD1 3.51Å; Y239-I243 HydrophobicContact CE2-CG1 3.88Å; Y239-I243 HydrophobicContact CG-CD1 4.44Å; Y239-I243 VanDerWaalsContact CZ-CD1 3.44Å; Y239-I243 WeakPolarHBondContact O-CG1 3.25Å; Y239-I243 PolarHBondContact O-N 3.04Å
240	Q	98.1	Very high	96	Very high	125 Å²	125	68 Å²	68	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-61.7	-44.9	176.3	-175.3	-180	6.9	0	0	111.6	E236 N237 I243 S244	E236-Q240 WeakPolarHBondContact O-CB 3.31Å; E236-Q240 PolarHBondContact O-N 2.9Å; N237-Q240 PolarHBondContact O-N 3.39Å; Q240-I243 PolarHBondContact O-N 3.13Å; Q240-S244 PolarHBondContact O-N 3.09Å; Q240-S244 VanDerWaalsContact O-N 3.09Å
241	T	97.9	Very high	95.4	Very high	68 Å²	68	65 Å²	65	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-51	177.3	-57.4	0	0	0	0	110.1	N237 E238 Y239 I243 S244 E245	N237-T241 VanDerWaalsContact O-CB 3.32Å; N237-T241 WeakPolarHBondContact O-CB 3.25Å; N237-T241 PolarHBondContact O-N 3.08Å; N237-T241 PolarHBondContact O-OG1 2.9Å; E238-T241 PolarHBondContact O-N 3.01Å; Y239-T241 PolarHBondContact O-N 3.35Å; T241-I243 VanDerWaalsContact C-N 3.31Å; T241-I243 PolarHBondContact O-N 2.8Å; T241-S244 PolarHBondContact O-N 3.17Å; T241-S244 VanDerWaalsContact O-N 3.08Å; T241-S244 PolarHBondContact O-OG 2.92Å; T241-E245 HydrophobicContact CG2-CG 4.43Å; T241-E245 WeakPolarHBondContact O-CG 3.43Å; T241-E245 PolarHBondContact O-N 3.24Å
242	A	97.1	Very high	94.7	Very high	44 Å²	44	67.3 Å²	67.3	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-38.5	179.7	0	0	0	0	0	112.6	E238 Y239 N246	E238-A242 VanDerWaalsContact O-CB 3.25Å; E238-A242 WeakPolarHBondContact O-CB 3.49Å; E238-A242 PolarHBondContact O-N 3.18Å; Y239-A242 PolarHBondContact O-N 3.26Å; A242-N246 WeakPolarHBondContact O-CB 3.44Å; A242-N246 PolarHBondContact O-N 3.24Å
243	I	96.7	Very high	94.2	Very high	29 Å²	29	70.9 Å²	70.9	15%	0.149	38%	0.377	C	S	.	.	H	α-helix	trans	-61.2	-47.8	174.3	-76.5	-179.9	0	0	0	110.7	I194 Y239 Q240 T241 E245 N246 Y247	I194-I243 HydrophobicContact CD1-CD1 3.38Å; I194-I243 HydrophobicContact CG1-CD1 4.5Å; Y239-I243 HydrophobicContact CD1-CD1 4.37Å; Y239-I243 HydrophobicContact CD2-CD1 4.03Å; Y239-I243 HydrophobicContact CD2-CG1 4.16Å; Y239-I243 HydrophobicContact CE1-CD1 3.9Å; Y239-I243 HydrophobicContact CE2-CD1 3.51Å; Y239-I243 HydrophobicContact CE2-CG1 3.88Å; Y239-I243 HydrophobicContact CG-CD1 4.44Å; Y239-I243 VanDerWaalsContact CZ-CD1 3.44Å; Y239-I243 WeakPolarHBondContact O-CG1 3.25Å; Y239-I243 PolarHBondContact O-N 3.04Å; Q240-I243 PolarHBondContact O-N 3.13Å; T241-I243 VanDerWaalsContact C-N 3.31Å; T241-I243 PolarHBondContact O-N 2.8Å; I243-E245 PolarHBondContact O-N 3.43Å; I243-N246 PolarHBondContact O-N 3.45Å; I243-Y247 HydrophobicContact CG2-CD2 3.81Å; I243-Y247 HydrophobicContact CG2-CE2 3.87Å; I243-Y247 VanDerWaalsContact O-CD2 3.3Å; I243-Y247 WeakPolarHBondContact O-CD2 3.42Å; I243-Y247 PolarHBondContact O-N 3.45Å
244	S	94.3	Very high	93.6	Very high	72 Å²	72	71.2 Å²	71.2	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-44.2	-178.4	73	0	0	0	0	112.5	Q240 T241 Y247 Q248	Q240-S244 PolarHBondContact O-N 3.09Å; Q240-S244 VanDerWaalsContact O-N 3.09Å; T241-S244 PolarHBondContact O-N 3.17Å; T241-S244 VanDerWaalsContact O-N 3.08Å; T241-S244 PolarHBondContact O-OG 2.92Å; S244-Y247 PolarHBondContact O-N 3.32Å; S244-Q248 PolarHBondContact O-N 3.44Å
245	E	95.5	Very high	92.9	Very high	120 Å²	120	73.2 Å²	73.2	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-67.3	-38.2	177.8	-68.1	178.4	167.8	0	0	112.1	T241 I243 Y247 Q248 T249	T241-E245 HydrophobicContact CG2-CG 4.43Å; T241-E245 WeakPolarHBondContact O-CG 3.43Å; T241-E245 PolarHBondContact O-N 3.24Å; I243-E245 PolarHBondContact O-N 3.43Å; E245-Y247 VanDerWaalsContact C-N 3.35Å; E245-Q248 PolarHBondContact O-N 3.27Å; E245-T249 PolarHBondContact O-N 3.26Å; E245-T249 PolarHBondContact O-OG1 3.36Å
246	N	94.4	Very high	92.3	Very high	78 Å²	78	77.4 Å²	77.4	42%	0.417	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-38.1	177.3	-174.2	49.9	0	0	0	111.5	A242 I243 Q248 T249 M250	A242-N246 WeakPolarHBondContact O-CB 3.44Å; A242-N246 PolarHBondContact O-N 3.24Å; I243-N246 PolarHBondContact O-N 3.45Å; N246-Q248 PolarHBondContact O-N 2.86Å; N246-T249 PolarHBondContact O-N 3.2Å; N246-M250 WeakPolarHBondContact ND2-CE 3.48Å; N246-M250 WeakPolarHBondContact O-CB 3.32Å; N246-M250 WeakPolarHBondContact O-CG 3.3Å; N246-M250 PolarHBondContact O-N 3.34Å
247	Y	90	Very high	91.9	Very high	114 Å²	114	81.4 Å²	81.4	45%	0.447	44%	0.439	S	S	.	.	H	α-helix	trans	-61.4	-42	173.3	-94.6	-72.7	0	0	0	112.7	L206 I243 S244 E245 T249 S251	L206-Y247 HydrophobicContact CD1-CE2 4.34Å; L206-Y247 WeakPolarHBondContact CD1-OH 3.47Å; L206-Y247 HydrophobicContact CD2-CE2 3.97Å; L206-Y247 WeakPolarHBondContact CD2-OH 3.32Å; L206-Y247 WeakPolarHBondContact CG-OH 3.47Å; I243-Y247 HydrophobicContact CG2-CD2 3.81Å; I243-Y247 HydrophobicContact CG2-CE2 3.87Å; I243-Y247 VanDerWaalsContact O-CD2 3.3Å; I243-Y247 WeakPolarHBondContact O-CD2 3.42Å; I243-Y247 PolarHBondContact O-N 3.45Å; S244-Y247 PolarHBondContact O-N 3.32Å; E245-Y247 VanDerWaalsContact C-N 3.35Å; Y247-T249 VanDerWaalsContact C-N 3.34Å; Y247-S251 WeakPolarHBondContact O-CB 3.4Å; Y247-S251 PolarHBondContact O-N 3.16Å; Y247-S251 VanDerWaalsContact O-N 3.15Å
248	Q	89.8	Confident	91.6	Very high	118 Å²	118	85.4 Å²	85.4	55%	0.551	46%	0.46	S	S	*	.	H	α-helix	trans	-61.6	-45	174.2	-174.3	61.6	48.7	0	0	111	S244 E245 N246 S251 D252	S244-Q248 PolarHBondContact O-N 3.44Å; E245-Q248 PolarHBondContact O-N 3.27Å; N246-Q248 PolarHBondContact O-N 2.86Å; Q248-S251 PolarHBondContact O-N 3.33Å; Q248-D252 PolarHBondContact NE2-OD2 2.81Å; Q248-D252 PolarHBondContact O-N 3.41Å
249	T	91.6	Very high	91.3	Very high	77 Å²	77	89.4 Å²	89.4	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-64	-45.7	-179.9	-58.1	0	0	0	0	112.2	E245 N246 Y247 S251 D252 T253	E245-T249 PolarHBondContact O-N 3.26Å; E245-T249 PolarHBondContact O-OG1 3.36Å; N246-T249 PolarHBondContact O-N 3.2Å; Y247-T249 VanDerWaalsContact C-N 3.34Å; T249-S251 VanDerWaalsContact C-N 3.34Å; T249-S251 PolarHBondContact O-N 2.97Å; T249-D252 PolarHBondContact O-N 3.38Å; T249-T253 WeakPolarHBondContact O-CB 3.28Å; T249-T253 PolarHBondContact O-N 3.26Å; T249-T253 PolarHBondContact O-OG1 3.39Å
250	M	86.7	Confident	90.8	Very high	70 Å²	70	95.1 Å²	95.1	35%	0.345	49%	0.491	S	S	.	.	H	α-helix	trans	-61.4	-41.2	179.2	-76.5	-178.5	173.1	0	0	112.2	N246 D252 T254 F255	N246-M250 WeakPolarHBondContact ND2-CE 3.48Å; N246-M250 WeakPolarHBondContact O-CB 3.32Å; N246-M250 WeakPolarHBondContact O-CG 3.3Å; N246-M250 PolarHBondContact O-N 3.34Å; M250-D252 VanDerWaalsContact C-N 3.32Å; M250-D252 PolarHBondContact O-N 3.48Å; M250-T254 PolarHBondContact O-N 2.94Å; M250-F255 HydrophobicContact CB-CD2 4.41Å; M250-F255 HydrophobicContact CB-CE2 4.4Å; M250-F255 WeakPolarHBondContact O-CD2 3.14Å; M250-F255 PolarHBondContact O-N 3.47Å
251	S	84.6	Confident	90.4	Very high	66 Å²	66	97.5 Å²	97.5	46%	0.462	50%	0.502	S	S	.	.	H	α-helix	trans	-58.8	-43.3	175.9	-178.1	0	0	0	0	111.8	Y247 Q248 T249	Y247-S251 WeakPolarHBondContact O-CB 3.4Å; Y247-S251 PolarHBondContact O-N 3.16Å; Y247-S251 VanDerWaalsContact O-N 3.15Å; Q248-S251 PolarHBondContact O-N 3.33Å; T249-S251 VanDerWaalsContact C-N 3.34Å; T249-S251 PolarHBondContact O-N 2.97Å
252	D	84	Confident	90.1	Very high	71 Å²	71	97.7 Å²	97.7	38%	0.38	50%	0.5	S	S	.	.	H	α-helix	trans	-84.5	-23.7	-174.7	-80.7	-43	0	0	0	115	Q248 T249 M250 K256	Q248-D252 PolarHBondContact NE2-OD2 2.81Å; Q248-D252 PolarHBondContact O-N 3.41Å; T249-D252 PolarHBondContact O-N 3.38Å; M250-D252 VanDerWaalsContact C-N 3.32Å; M250-D252 PolarHBondContact O-N 3.48Å; D252-K256 WeakPolarHBondContact O-CD 3.17Å; D252-K256 PolarHBondContact O-NZ 3.22Å; D252-K256 IonicContact OD1-NZ 2.78Å; D252-K256 PolarHBondContact OD1-NZ 2.98Å
253	T	88.3	Confident	89.9	Confident	74 Å²	74	97.9 Å²	97.9	45%	0.454	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-71.9	-172.7	61.5	0	0	0	0	112	T249 F255 K256 A257	T249-T253 WeakPolarHBondContact O-CB 3.28Å; T249-T253 PolarHBondContact O-N 3.26Å; T249-T253 PolarHBondContact O-OG1 3.39Å; T253-F255 PolarHBondContact O-N 3.09Å; T253-K256 PolarHBondContact O-N 3.1Å; T253-A257 WeakPolarHBondContact O-CB 3.41Å; T253-A257 PolarHBondContact O-N 3.16Å
254	T	86.8	Confident	89.6	Confident	77 Å²	77	102 Å²	102	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-59.4	-49.6	-172	-50.4	0	0	0	0	112.5	M250 K256 A257 L258	M250-T254 PolarHBondContact O-N 2.94Å; T254-K256 PolarHBondContact O-N 2.81Å; T254-A257 PolarHBondContact O-N 3.39Å; T254-L258 PolarHBondContact O-N 2.91Å; T254-L258 VanDerWaalsContact O-N 3.16Å
255	F	82.4	Confident	89.6	Confident	133 Å²	133	103.4 Å²	103.4	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-65.6	-38.7	179.6	-78.7	-70.6	0	0	0	112.3	M250 T253 A257 L258 R259	M250-F255 HydrophobicContact CB-CD2 4.41Å; M250-F255 HydrophobicContact CB-CE2 4.4Å; M250-F255 WeakPolarHBondContact O-CD2 3.14Å; M250-F255 PolarHBondContact O-N 3.47Å; T253-F255 PolarHBondContact O-N 3.09Å; F255-A257 VanDerWaalsContact C-N 3.3Å; F255-A257 PolarHBondContact O-N 2.75Å; F255-L258 PolarHBondContact O-N 3.15Å; F255-R259 PolarHBondContact O-N 2.9Å
256	K	86.3	Confident	89.5	Confident	99 Å²	99	107.5 Å²	107.5	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-67.2	-31.3	176.4	-64.9	-168.7	-163	148.3	0	112.6	D252 T253 T254 R259 R260	D252-K256 WeakPolarHBondContact O-CD 3.17Å; D252-K256 PolarHBondContact O-NZ 3.22Å; D252-K256 IonicContact OD1-NZ 2.78Å; D252-K256 PolarHBondContact OD1-NZ 2.98Å; T253-K256 PolarHBondContact O-N 3.1Å; T254-K256 PolarHBondContact O-N 2.81Å; K256-R259 CarbonylContact O-C 3.53Å; K256-R260 PolarHBondContact O-N 2.93Å
257	A	89.4	Confident	89.5	Confident	88 Å²	88	107.7 Å²	107.7	73%	0.727	54%	0.544	S	S	*	.	H	α-helix	trans	-71.3	-35.1	176.7	0	0	0	0	0	112.3	T253 T254 F255	T253-A257 WeakPolarHBondContact O-CB 3.41Å; T253-A257 PolarHBondContact O-N 3.16Å; T254-A257 PolarHBondContact O-N 3.39Å; F255-A257 VanDerWaalsContact C-N 3.3Å; F255-A257 PolarHBondContact O-N 2.75Å
258	L	92.9	Very high	89.7	Confident	140 Å²	140	111 Å²	111	73%	0.733	56%	0.561	S	S	*	*	H	α-helix	trans	-68	-51.4	175.6	-72.2	174.6	0	0	0	112.2	T254 F255	T254-L258 PolarHBondContact O-N 2.91Å; T254-L258 VanDerWaalsContact O-N 3.16Å; F255-L258 PolarHBondContact O-N 3.15Å
259	R	92	Very high	89.9	Confident	202 Å²	202	109.4 Å²	109.4	76%	0.762	56%	0.555	S	S	*	*	S	Bend	trans	-145.4	114.7	176.6	-172.7	178.2	-176.2	-87	3.6	109.7	F255 K256	F255-R259 PolarHBondContact O-N 2.9Å; K256-R259 CarbonylContact O-C 3.53Å
260	R	88.8	Confident	89.9	Confident	133 Å²	133	109.1 Å²	109.1	50%	0.502	55%	0.551	S	S	.	*			trans	-62.8	140.1	175.2	-58.3	171.6	57.7	89.4	1.9	110.1	K256 L262	K256-R260 PolarHBondContact O-N 2.93Å; R260-L262 WeakPolarHBondContact CB-O 3.39Å; R260-L262 PolarHBondContact NE-O 3.01Å; R260-L262 VanDerWaalsContact NE-O 3.09Å; R260-L262 PolarHBondContact O-N 3.31Å
261	Q	88.6	Confident	90.1	Very high	174 Å²	174	114.1 Å²	114.1	81%	0.813	57%	0.566	S	S	*	*	S	Bend	trans	-59.8	-35.6	173.9	-170.8	179.5	9.6	0	0	112
262	L	91.8	Very high	90.2	Very high	72 Å²	72	116.8 Å²	116.8	38%	0.377	58%	0.575	S	S	.	*	S	Bend	trans	-134.8	154.1	172	-73.4	170.9	0	0	0	110.6	R260	R260-L262 WeakPolarHBondContact CB-O 3.39Å; R260-L262 PolarHBondContact NE-O 3.01Å; R260-L262 VanDerWaalsContact NE-O 3.09Å; R260-L262 PolarHBondContact O-N 3.31Å
263	P	92.4	Very high	90.2	Very high	48 Å²	48	119.7 Å²	119.7	31%	0.312	59%	0.585	S	S	.	*			trans	-49	163.9	165.2	-25.9	34.4	0	0	0	112.7	T265 R266 T267 I269	P263-T265 PolarHBondContact O-N 2.66Å; P263-T265 VanDerWaalsContact O-N 3.1Å; P263-R266 PolarHBondContact O-N 3.1Å; P263-T267 VanDerWaalsContact CD-O 3.28Å; P263-T267 WeakPolarHBondContact CD-O 3.32Å; P263-T267 WeakPolarHBondContact CG-O 3.39Å; P263-I269 HydrophobicContact CG-CG1 3.98Å
264	V	91.9	Very high	90.2	Very high	117 Å²	117	121 Å²	121	71%	0.709	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-32.9	178.6	179.3	0	0	0	0	111.9	R266	V264-R266 PolarHBondContact O-N 3.34Å; V264-R266 VanDerWaalsContact O-N 3.15Å
265	T	93.6	Very high	89.9	Confident	101 Å²	101	124.5 Å²	124.5	62%	0.62	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-7.1	176.7	59.3	0	0	0	0	114.8	P263 T267	P263-T265 PolarHBondContact O-N 2.66Å; P263-T265 VanDerWaalsContact O-N 3.1Å; T265-T267 WeakPolarHBondContact CB-OG1 3.43Å; T265-T267 PolarHBondContact O-N 3.33Å; T265-T267 VanDerWaalsContact O-N 3.17Å; T265-T267 PolarHBondContact OG1-OG1 3.21Å
266	R	93.5	Very high	89.8	Confident	206 Å²	206	122.8 Å²	122.8	78%	0.777	61%	0.607	S	S	*	*	S	Bend	trans	55.5	28.4	-176.2	-55.9	-178.3	178.9	-177.7	-1.6	113.7	P263 V264	P263-R266 PolarHBondContact O-N 3.1Å; V264-R266 PolarHBondContact O-N 3.34Å; V264-R266 VanDerWaalsContact O-N 3.15Å
267	T	93.6	Very high	88.8	Confident	82 Å²	82	123.4 Å²	123.4	50%	0.503	61%	0.608	S	S	.	*	S	Bend	trans	-129.8	151.9	177.7	44.4	0	0	0	0	109.8	P263 T265	P263-T267 VanDerWaalsContact CD-O 3.28Å; P263-T267 WeakPolarHBondContact CD-O 3.32Å; P263-T267 WeakPolarHBondContact CG-O 3.39Å; T265-T267 WeakPolarHBondContact CB-OG1 3.43Å; T265-T267 PolarHBondContact O-N 3.33Å; T265-T267 VanDerWaalsContact O-N 3.17Å; T265-T267 PolarHBondContact OG1-OG1 3.21Å
268	K	95.2	Very high	87.8	Confident	183 Å²	183	127.4 Å²	127.4	80%	0.796	61%	0.609	S	S	*	*			trans	-61.1	150.2	170.5	-72.9	-175.8	178.4	179.9	0	109.2	D270	K268-D270 PolarHBondContact O-N 3.29Å
269	I	93.5	Very high	86.4	Confident	84 Å²	84	126.3 Å²	126.3	43%	0.431	60%	0.602	S	S	.	*			trans	-58.5	127.8	177.1	-70.2	174.1	0	0	0	109.3	P263 W271 I274	P263-I269 HydrophobicContact CG-CG1 3.98Å; I269-W271 HydrophobicContact CG2-CD2 3.96Å; I269-W271 HydrophobicContact CG2-CE3 4.2Å; I269-W271 HydrophobicContact CG2-CG 4.32Å; I269-W271 HydrophobicContact CG2-CZ2 4.46Å; I269-W271 PolarHBondContact O-N 3.23Å; I269-I274 HydrophobicContact CG2-CD1 3.29Å; I269-I274 HydrophobicContact CG2-CG1 4.12Å
270	D	91.6	Very high	85	Confident	71 Å²	71	119.2 Å²	119.2	38%	0.38	59%	0.592	S	S	.	*			trans	-85	98.8	167.2	-175.8	-14.6	0	0	0	108.5	K268 N272 K273 I274	K268-D270 PolarHBondContact O-N 3.29Å; D270-N272 PolarHBondContact O-N 3.11Å; D270-N272 WeakPolarHBondContact OD1-CB 3.25Å; D270-N272 PolarHBondContact OD1-N 3.29Å; D270-N272 VanDerWaalsContact OD1-N 3.1Å; D270-K273 HydrophobicContact CB-CB 4.16Å; D270-K273 HydrophobicContact CB-CD 4.08Å; D270-K273 HydrophobicContact CB-CG 4.22Å; D270-K273 PolarHBondContact O-N 3.35Å; D270-K273 PolarHBondContact OD1-N 3.18Å; D270-K273 VanDerWaalsContact OD2-CD 3.31Å; D270-K273 WeakPolarHBondContact OD2-CD 3.4Å; D270-K273 VanDerWaalsContact OD2-CE 3.25Å; D270-K273 WeakPolarHBondContact OD2-CE 3.39Å; D270-K273 WeakPolarHBondContact OD2-CG 3.31Å; D270-I274 PolarHBondContact O-N 3.34Å
271	W	90.4	Very high	83.6	Confident	176 Å²	176	120.1 Å²	120.1	67%	0.667	60%	0.6	S	S	*	*	H	α-helix	trans	-63	-30.3	-177.9	-67.3	106.2	0	0	0	112.8	I269 I274 L275	I269-W271 HydrophobicContact CG2-CD2 3.96Å; I269-W271 HydrophobicContact CG2-CE3 4.2Å; I269-W271 HydrophobicContact CG2-CG 4.32Å; I269-W271 HydrophobicContact CG2-CZ2 4.46Å; I269-W271 PolarHBondContact O-N 3.23Å; W271-I274 HydrophobicContact CE3-CD1 4.29Å; W271-I274 HydrophobicContact CZ3-CD1 4.42Å; W271-I274 PolarHBondContact O-N 2.79Å; W271-L275 WeakPolarHBondContact O-CG 2.91Å; W271-L275 PolarHBondContact O-N 3.24Å
272	N	88.2	Confident	82.2	Confident	122 Å²	122	117.3 Å²	117.3	65%	0.652	59%	0.586	S	S	*	*	H	α-helix	trans	-65.9	-42.4	177.4	-67.2	-34.4	0	0	0	110.6	D270 L275 S276	D270-N272 PolarHBondContact O-N 3.11Å; D270-N272 WeakPolarHBondContact OD1-CB 3.25Å; D270-N272 PolarHBondContact OD1-N 3.29Å; D270-N272 VanDerWaalsContact OD1-N 3.1Å; N272-L275 PolarHBondContact O-N 3.2Å; N272-S276 PolarHBondContact O-N 3.3Å; N272-S276 PolarHBondContact O-OG 3.32Å; N272-S276 VanDerWaalsContact O-OG 3.11Å
273	K	84	Confident	80.5	Confident	132 Å²	132	120.9 Å²	120.9	57%	0.574	60%	0.603	S	S	*	*	H	α-helix	trans	-62.3	-42.3	174.7	-74.6	-179.7	-173.8	-179.7	0	111.9	D270 L275 S276 Y277	D270-K273 HydrophobicContact CB-CB 4.16Å; D270-K273 HydrophobicContact CB-CD 4.08Å; D270-K273 HydrophobicContact CB-CG 4.22Å; D270-K273 PolarHBondContact O-N 3.35Å; D270-K273 PolarHBondContact OD1-N 3.18Å; D270-K273 VanDerWaalsContact OD2-CD 3.31Å; D270-K273 WeakPolarHBondContact OD2-CD 3.4Å; D270-K273 VanDerWaalsContact OD2-CE 3.25Å; D270-K273 WeakPolarHBondContact OD2-CE 3.39Å; D270-K273 WeakPolarHBondContact OD2-CG 3.31Å; K273-L275 VanDerWaalsContact C-N 3.26Å; K273-L275 PolarHBondContact O-N 3.15Å; K273-S276 PolarHBondContact O-N 3.43Å; K273-Y277 WeakPolarHBondContact O-CB 3.34Å; K273-Y277 PolarHBondContact O-N 2.92Å
274	I	86.6	Confident	78.7	Confident	101 Å²	101	126.2 Å²	126.2	52%	0.518	62%	0.624	S	S	.	*	H	α-helix	trans	-58.6	-40.2	177.7	-69.5	-173.1	0	0	0	111.8	I269 D270 W271	I269-I274 HydrophobicContact CG2-CD1 3.29Å; I269-I274 HydrophobicContact CG2-CG1 4.12Å; D270-I274 PolarHBondContact O-N 3.34Å; W271-I274 HydrophobicContact CE3-CD1 4.29Å; W271-I274 HydrophobicContact CZ3-CD1 4.42Å; W271-I274 PolarHBondContact O-N 2.79Å
275	L	81.6	Confident	76.9	Confident	151 Å²	151	127.7 Å²	127.7	79%	0.791	63%	0.628	S	S	*	*	H	α-helix	trans	-73.4	-28.9	-177.5	-67.2	170.3	0	0	0	113.4	W271 N272 K273	W271-L275 WeakPolarHBondContact O-CG 2.91Å; W271-L275 PolarHBondContact O-N 3.24Å; N272-L275 PolarHBondContact O-N 3.2Å; K273-L275 VanDerWaalsContact C-N 3.26Å; K273-L275 PolarHBondContact O-N 3.15Å
276	S	79.8	Confident	74.8	Confident	97 Å²	97	129.8 Å²	129.8	68%	0.678	66%	0.655	S	S	*	*	H	α-helix	trans	-104.7	-15.2	-174.3	66.5	0	0	0	0	114.9	N272 K273	N272-S276 PolarHBondContact O-N 3.3Å; N272-S276 PolarHBondContact O-OG 3.32Å; N272-S276 VanDerWaalsContact O-OG 3.11Å; K273-S276 PolarHBondContact O-N 3.43Å
277	Y	65.3	Low	73.9	Confident	112 Å²	112	126 Å²	126	44%	0.439	65%	0.649	S	S	.	*			trans	-92.2	122	-167	-164.6	-96	0	0	0	112.8	K273 I279 E282	K273-Y277 WeakPolarHBondContact O-CB 3.34Å; K273-Y277 PolarHBondContact O-N 2.92Å; Y277-I279 HydrophobicContact CD1-CG1 3.84Å; Y277-I279 HydrophobicContact CE1-CG1 4.05Å; Y277-E282 VanDerWaalsContact OH-CD 3.23Å; Y277-E282 PolarHBondContact OH-OE2 3.28Å
278	K	68	Low	72.8	Confident	172 Å²	172	128.3 Å²	128.3	75%	0.748	66%	0.657	S	S	*	*			trans	-99.1	98.8	171.8	-76.7	-173.4	177.5	-177.7	0	110.2	G280 K281	K278-G280 PolarHBondContact O-N 3.2Å; K278-G280 VanDerWaalsContact O-N 3.15Å; K278-K281 PolarHBondContact O-N 3.1Å; K278-K281 VanDerWaalsContact O-N 3.1Å
279	I	64.4	Low	71.6	Confident	116 Å²	116	125.3 Å²	125.3	60%	0.595	65%	0.649	S	S	*	*	H	α-helix	trans	-52.6	-39.2	-175.7	-60.9	170.2	0	0	0	112.7	Y277 K281 M283	Y277-I279 HydrophobicContact CD1-CG1 3.84Å; Y277-I279 HydrophobicContact CE1-CG1 4.05Å; I279-K281 PolarHBondContact O-N 3.15Å; I279-M283 HydrophobicContact CG2-SD 4.34Å
280	G	62.7	Low	70.3	Confident	53 Å²	53	127.7 Å²	127.7	55%	0.546	66%	0.662	S	S	.	*	H	α-helix	trans	-66.6	-18.3	-177.4	0	0	0	0	0	115.5	K278	K278-G280 PolarHBondContact O-N 3.2Å; K278-G280 VanDerWaalsContact O-N 3.15Å
281	K	59	Low	68.9	Low	153 Å²	153	131.3 Å²	131.3	67%	0.665	68%	0.68	S	S	*	*	H	α-helix	trans	-86.6	-25.9	-175.5	-132.1	-178.6	-175.9	-172.3	0	113.4	K278 I279	K278-K281 PolarHBondContact O-N 3.1Å; K278-K281 VanDerWaalsContact O-N 3.1Å; I279-K281 PolarHBondContact O-N 3.15Å
282	E	59.2	Low	67.5	Low	115 Å²	115	128.3 Å²	128.3	54%	0.537	68%	0.68	S	S	.	*	H	α-helix	trans	-89.8	-27.1	176.6	-71.9	-159.7	-172.2	0	0	112.8	Y277 Q284 N285 A286	Y277-E282 VanDerWaalsContact OH-CD 3.23Å; Y277-E282 PolarHBondContact OH-OE2 3.28Å; E282-Q284 PolarHBondContact O-N 3.28Å; E282-N285 PolarHBondContact O-N 3.3Å; E282-N285 VanDerWaalsContact O-N 3.07Å; E282-A286 PolarHBondContact O-N 3.07Å
283	M	56	Low	66	Low	146 Å²	146	128.7 Å²	128.7	72%	0.719	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-19.7	172.2	-70	-171.6	70.2	0	0	113.6	I279	I279-M283 HydrophobicContact CG2-SD 4.34Å
284	Q	54	Low	64.7	Low	161 Å²	161	128.5 Å²	128.5	75%	0.752	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-17.7	172.6	-76.8	-177.9	-17.7	0	0	113.2	E282	E282-Q284 PolarHBondContact O-N 3.28Å
285	N	54.9	Low	62.8	Low	148 Å²	148	130.8 Å²	130.8	79%	0.791	71%	0.705	S	S	*	*			trans	-107.8	8.5	-178.1	-70.1	-15.1	0	0	0	112.5	E282	E282-N285 PolarHBondContact O-N 3.3Å; E282-N285 VanDerWaalsContact O-N 3.07Å
286	A	49.1	Very low	61.1	Low	145 Å²	145	128.9 Å²	128.9	100%	1.198	70%	0.697	S	S	*	*			trans	-104.8	0	176.9	0	0	0	0	0	111.3	E282	E282-A286 PolarHBondContact O-N 3.07Å

Retrieved 286 of 286 residues in 242.9 ms (Link to these results)

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