G4LVU9_SCHMA 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.

AlphaFold DB , UniProt , Accession G4LVU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 295 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	40.2	Very low	72.7	Confident	232 Å²	232	115.9 Å²	115.9	100%	1.143	64%	0.635	S	S	*	*				0	103.9	0	-80.6	-176.3	-122.9	0	0	105.1
2	V	45.6	Very low	74.2	Confident	139 Å²	139	106.6 Å²	106.6	84%	0.842	59%	0.585	S	S	*	*			trans	43.6	68.9	-167.8	-157.7	0	0	0	0	115.2	G4	V2-G4 PolarHBondContact O-N 2.67Å; V2-G4 VanDerWaalsContact O-N 3.12Å
3	D	48.3	Very low	75.6	Confident	159 Å²	159	103.4 Å²	103.4	85%	0.85	57%	0.567	S	S	*	*			trans	-78.4	73.4	147.5	-67.7	-41.4	0	0	0	106.1	D5	D3-D5 PolarHBondContact O-N 3.01Å
4	G	62.1	Low	76.9	Confident	53 Å²	53	100.6 Å²	100.6	55%	0.546	55%	0.55	S	S	.	.			trans	-85	99.7	169.1	0	0	0	0	0	106.8	V2 I6	V2-G4 PolarHBondContact O-N 2.67Å; V2-G4 VanDerWaalsContact O-N 3.12Å; G4-I6 PolarHBondContact O-N 3.27Å
5	D	78.3	Confident	78	Confident	151 Å²	151	94.9 Å²	94.9	81%	0.807	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-52.8	130	174.5	-79.5	-35	0	0	0	109.7	D3 T7	D3-D5 PolarHBondContact O-N 3.01Å; D5-T7 PolarHBondContact O-N 2.77Å; D5-T7 VanDerWaalsContact O-N 3.13Å
6	I	84.3	Confident	78.9	Confident	99 Å²	99	89.3 Å²	89.3	51%	0.508	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-60.4	116.8	178.1	-56.2	176.8	0	0	0	107.9	G4 D10 K11	G4-I6 PolarHBondContact O-N 3.27Å; I6-D10 HydrophobicContact CG2-CB 3.61Å; I6-K11 HydrophobicContact CB-CG 4.41Å; I6-K11 HydrophobicContact CG2-CG 3.54Å
7	T	86.9	Confident	79.9	Confident	60 Å²	60	92.6 Å²	92.6	37%	0.368	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-67.4	157.2	-179.7	68.3	0	0	0	0	110.7	D5 E9 D10 K11	D5-T7 PolarHBondContact O-N 2.77Å; D5-T7 VanDerWaalsContact O-N 3.13Å; T7-E9 PolarHBondContact O-N 3.36Å; T7-D10 WeakPolarHBondContact CB-OD2 3.19Å; T7-D10 PolarHBondContact N-OD2 2.64Å; T7-D10 PolarHBondContact O-N 2.75Å; T7-D10 VanDerWaalsContact O-N 3.15Å; T7-D10 PolarHBondContact OG1-N 3.3Å; T7-D10 PolarHBondContact OG1-OD2 2.97Å; T7-K11 WeakPolarHBondContact O-CG 3.19Å; T7-K11 PolarHBondContact O-N 2.85Å
8	P	85	Confident	80.7	Confident	65 Å²	65	92.1 Å²	92.1	42%	0.422	49%	0.491	S	S	.	.	H	α-helix	trans	-54.9	-35.4	172.6	-26.6	35.6	0	0	0	113	K11 A12	P8-K11 PolarHBondContact O-N 3.19Å; P8-A12 PolarHBondContact O-N 2.99Å
9	E	88.3	Confident	81.4	Confident	131 Å²	131	87.3 Å²	87.3	61%	0.612	47%	0.465	S	S	*	.	H	α-helix	trans	-64	-50.3	174.2	-172.9	173.1	-171.3	0	0	111.1	T7 K11 A12 D13	T7-E9 PolarHBondContact O-N 3.36Å; E9-K11 PolarHBondContact O-N 2.7Å; E9-A12 WeakPolarHBondContact O-CA 3.27Å; E9-A12 WeakPolarHBondContact O-CB 3.33Å; E9-A12 PolarHBondContact O-N 2.7Å; E9-D13 PolarHBondContact O-N 3.41Å
10	D	90.1	Very high	82.2	Confident	79 Å²	79	86.5 Å²	86.5	42%	0.422	46%	0.46	S	S	.	.	H	α-helix	trans	-57.3	-38.5	175.8	-64.3	-48.8	0	0	0	112	I6 T7 D13 I14	I6-D10 HydrophobicContact CG2-CB 3.61Å; T7-D10 WeakPolarHBondContact CB-OD2 3.19Å; T7-D10 PolarHBondContact N-OD2 2.64Å; T7-D10 PolarHBondContact O-N 2.75Å; T7-D10 VanDerWaalsContact O-N 3.15Å; T7-D10 PolarHBondContact OG1-N 3.3Å; T7-D10 PolarHBondContact OG1-OD2 2.97Å; D10-D13 PolarHBondContact O-N 2.89Å; D10-I14 WeakPolarHBondContact O-CD1 3.45Å; D10-I14 WeakPolarHBondContact O-CG1 3.05Å; D10-I14 PolarHBondContact O-N 2.83Å
11	K	90.3	Very high	82.8	Confident	107 Å²	107	87.9 Å²	87.9	47%	0.465	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-43.8	174.2	-68.7	-175.5	-175.1	177.6	0	111.6	I6 T7 P8 E9 D13 I14 C15 I44	I6-K11 HydrophobicContact CB-CG 4.41Å; I6-K11 HydrophobicContact CG2-CG 3.54Å; T7-K11 WeakPolarHBondContact O-CG 3.19Å; T7-K11 PolarHBondContact O-N 2.85Å; P8-K11 PolarHBondContact O-N 3.19Å; E9-K11 PolarHBondContact O-N 2.7Å; K11-D13 VanDerWaalsContact C-N 3.3Å; K11-D13 PolarHBondContact O-N 2.91Å; K11-I14 PolarHBondContact O-N 2.91Å; K11-C15 PolarHBondContact O-N 3.09Å; K11-C15 PolarHBondContact O-SG 2.86Å; K11-I44 HydrophobicContact CB-CD1 3.95Å
12	A	91.4	Very high	85.5	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.033	41%	0.413	C	S	.	.	H	α-helix	trans	-59.8	-42.7	176.7	0	0	0	0	0	111	P8 E9 C15 A16 I44 K47	P8-A12 PolarHBondContact O-N 2.99Å; E9-A12 WeakPolarHBondContact O-CA 3.27Å; E9-A12 WeakPolarHBondContact O-CB 3.33Å; E9-A12 PolarHBondContact O-N 2.7Å; A12-C15 PolarHBondContact O-N 2.83Å; A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 3.21Å; A12-I44 HydrophobicContact CB-CB 4.4Å; A12-I44 HydrophobicContact CB-CG1 3.95Å; A12-K47 HydrophobicContact CB-CB 4.22Å; A12-K47 HydrophobicContact CB-CD 3.9Å
13	D	92.8	Very high	87.9	Confident	65 Å²	65	70.8 Å²	70.8	35%	0.348	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-42.3	177.7	-75.5	46	0	0	0	112.4	E9 D10 K11 R17 K47	E9-D13 PolarHBondContact O-N 3.41Å; D10-D13 PolarHBondContact O-N 2.89Å; K11-D13 VanDerWaalsContact C-N 3.3Å; K11-D13 PolarHBondContact O-N 2.91Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 PolarHBondContact O-N 3Å; D13-K47 WeakPolarHBondContact OD1-CE 3.49Å; D13-K47 IonicContact OD1-NZ 2.81Å; D13-K47 PolarHBondContact OD1-NZ 3.36Å; D13-K47 IonicContact OD2-NZ 2.84Å; D13-K47 PolarHBondContact OD2-NZ 3.23Å
14	I	92.9	Very high	90.1	Very high	64 Å²	64	63.2 Å²	63.2	33%	0.328	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-48.3	175.7	-68.4	163.4	0	0	0	110.3	D10 K11 A16 R17 L18	D10-I14 WeakPolarHBondContact O-CD1 3.45Å; D10-I14 WeakPolarHBondContact O-CG1 3.05Å; D10-I14 PolarHBondContact O-N 2.83Å; K11-I14 PolarHBondContact O-N 2.91Å; I14-A16 PolarHBondContact O-N 3.07Å; I14-R17 PolarHBondContact O-N 3.04Å; I14-L18 HydrophobicContact CG2-CD1 3.93Å; I14-L18 HydrophobicContact CG2-CG 4.4Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.31Å
15	C	93	Very high	91.6	Very high	15 Å²	15	62.5 Å²	62.5	10%	0.101	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-47.3	179.2	-66.1	0	0	0	0	111.6	K11 A12 R17 L18 V19 I34 I44 L48	K11-C15 PolarHBondContact O-N 3.09Å; K11-C15 PolarHBondContact O-SG 2.86Å; A12-C15 PolarHBondContact O-N 2.83Å; C15-R17 VanDerWaalsContact C-N 3.34Å; C15-R17 PolarHBondContact O-N 2.92Å; C15-L18 PolarHBondContact O-N 3.46Å; C15-V19 PolarHBondContact O-N 3.08Å; C15-I34 HydrophobicContact CB-CG2 3.76Å; C15-I44 HydrophobicContact CB-CG2 4.09Å; C15-L48 HydrophobicContact CB-CD1 4.48Å
16	A	93.3	Very high	92.4	Very high	6 Å²	6	56.4 Å²	56.4	5%	0.05	29%	0.289	C	S	.	.	H	α-helix	trans	-55.4	-47.9	176	0	0	0	0	0	112.2	A12 I14 V19 L20 K47 S51	A12-A16 WeakPolarHBondContact O-CB 3.37Å; A12-A16 PolarHBondContact O-N 3.21Å; I14-A16 PolarHBondContact O-N 3.07Å; A16-V19 PolarHBondContact O-N 3.25Å; A16-L20 WeakPolarHBondContact O-CG 3.49Å; A16-L20 PolarHBondContact O-N 2.84Å; A16-K47 HydrophobicContact CB-CD 4.26Å; A16-K47 HydrophobicContact CB-CG 3.96Å; A16-S51 WeakPolarHBondContact CA-OG 3.24Å; A16-S51 WeakPolarHBondContact CB-OG 3.3Å
17	R	95.2	Very high	92.9	Very high	145 Å²	145	52 Å²	52	55%	0.547	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-40	178.6	-175.5	173	61.9	-140	-3.2	112.3	D13 I14 C15 L20 L21	D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 PolarHBondContact O-N 3Å; I14-R17 PolarHBondContact O-N 3.04Å; C15-R17 VanDerWaalsContact C-N 3.34Å; C15-R17 PolarHBondContact O-N 2.92Å; R17-L20 PolarHBondContact O-N 2.93Å; R17-L21 HydrophobicContact CG-CD1 4.12Å; R17-L21 VanDerWaalsContact O-CG 3.29Å; R17-L21 WeakPolarHBondContact O-CG 3.45Å; R17-L21 PolarHBondContact O-N 2.96Å
18	L	94.9	Very high	93.2	Very high	84 Å²	84	52.7 Å²	52.7	44%	0.44	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-41	178.6	-71.2	171.5	0	0	0	111.8	I14 C15 L20 L21 A22 I34	I14-L18 HydrophobicContact CG2-CD1 3.93Å; I14-L18 HydrophobicContact CG2-CG 4.4Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.43Å; I14-L18 PolarHBondContact O-N 3.31Å; C15-L18 PolarHBondContact O-N 3.46Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L20 PolarHBondContact O-N 2.85Å; L18-L21 PolarHBondContact O-N 3.09Å; L18-L21 VanDerWaalsContact O-N 3.15Å; L18-A22 PolarHBondContact O-N 3.3Å; L18-I34 HydrophobicContact CB-CD1 3.55Å; L18-I34 HydrophobicContact CB-CG1 4.19Å; L18-I34 HydrophobicContact CD1-CG1 4.49Å
19	V	94.7	Very high	93.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-44.5	174.1	168.7	0	0	0	0	111.8	C15 A16 L21 A22 F27 L31 I34 L48 V52 Y55	C15-V19 PolarHBondContact O-N 3.08Å; A16-V19 PolarHBondContact O-N 3.25Å; V19-L21 PolarHBondContact O-N 3.35Å; V19-A22 VanDerWaalsContact O-CB 3.31Å; V19-A22 WeakPolarHBondContact O-CB 3.17Å; V19-A22 PolarHBondContact O-N 3.22Å; V19-F27 HydrophobicContact CG1-CE2 3.58Å; V19-F27 HydrophobicContact CG1-CZ 4.19Å; V19-L31 HydrophobicContact CG2-CD1 4.17Å; V19-I34 HydrophobicContact CB-CD1 4.33Å; V19-I34 HydrophobicContact CG2-CD1 3.41Å; V19-I34 VanDerWaalsContact CG2-CD1 3.41Å; V19-L48 HydrophobicContact CB-CD1 4.42Å; V19-L48 HydrophobicContact CG2-CD1 3.29Å; V19-L48 HydrophobicContact CG2-CG 4.48Å; V19-V52 HydrophobicContact CG1-CG2 3.88Å; V19-Y55 WeakPolarHBondContact O-CD2 3.3Å
20	L	96.2	Very high	93.9	Very high	71 Å²	71	50.1 Å²	50.1	37%	0.372	25%	0.252	S	S	.	.	H	α-helix	trans	-66.6	-21.4	-179.9	-67.5	173.3	0	0	0	113.3	A16 R17 L18 S51 Q54	A16-L20 WeakPolarHBondContact O-CG 3.49Å; A16-L20 PolarHBondContact O-N 2.84Å; R17-L20 PolarHBondContact O-N 2.93Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L20 PolarHBondContact O-N 2.85Å; L20-S51 WeakPolarHBondContact CD2-O 3.49Å; L20-Q54 HydrophobicContact CD2-CB 3.98Å; L20-Q54 HydrophobicContact CD2-CG 3.86Å
21	L	96.2	Very high	94.1	Very high	116 Å²	116	46.5 Å²	46.5	61%	0.607	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	0.4	178.5	-67	173.8	0	0	0	113.3	R17 L18 V19	R17-L21 HydrophobicContact CG-CD1 4.12Å; R17-L21 VanDerWaalsContact O-CG 3.29Å; R17-L21 WeakPolarHBondContact O-CG 3.45Å; R17-L21 PolarHBondContact O-N 2.96Å; L18-L21 PolarHBondContact O-N 3.09Å; L18-L21 VanDerWaalsContact O-N 3.15Å; V19-L21 PolarHBondContact O-N 3.35Å
22	A	96.4	Very high	94.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.008	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-55.1	132.4	178.6	0	0	0	0	0	110.8	L18 V19 F27 V30 Y55	L18-A22 PolarHBondContact O-N 3.3Å; V19-A22 VanDerWaalsContact O-CB 3.31Å; V19-A22 WeakPolarHBondContact O-CB 3.17Å; V19-A22 PolarHBondContact O-N 3.22Å; A22-F27 HydrophobicContact CB-CD2 4.08Å; A22-V30 HydrophobicContact CB-CB 3.93Å; A22-V30 HydrophobicContact CB-CG1 3.96Å; A22-V30 HydrophobicContact CB-CG2 4Å; A22-Y55 HydrophobicContact CB-CE2 3.85Å; A22-Y55 WeakPolarHBondContact O-CE2 3.28Å; A22-Y55 PolarHBondContact O-OH 3.02Å
23	P	96.3	Very high	94.3	Very high	12 Å²	12	50 Å²	50	8%	0.078	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-61.1	154.9	173.1	-20.9	32.4	0	0	0	111.6	C25 E26 Y55 H203	P23-C25 PolarHBondContact O-N 3.44Å; P23-E26 HydrophobicContact CB-CB 4.24Å; P23-E26 PolarHBondContact O-N 2.86Å; P23-Y55 PolarHBondContact O-OH 3.32Å; P23-Y55 VanDerWaalsContact O-OH 3.13Å; P23-H203 HydrophobicContact CB-CB 4.07Å
24	P	93.5	Very high	94.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	141.4	174.7	26.4	-34.8	0	0	0	110.3	E26 T173 R175 Q201	P24-E26 PolarHBondContact O-N 2.7Å; P24-E26 VanDerWaalsContact O-N 3.14Å; P24-T173 VanDerWaalsContact O-CB 3.24Å; P24-T173 WeakPolarHBondContact O-CB 3.21Å; P24-T173 PolarHBondContact O-OG1 3.44Å; P24-T173 VanDerWaalsContact O-OG1 3.14Å; P24-R175 HydrophobicContact CB-CB 3.48Å; P24-R175 VanDerWaalsContact CB-CB 3.48Å; P24-R175 HydrophobicContact CG-CB 4Å; P24-Q201 HydrophobicContact CG-CB 4.38Å; P24-Q201 HydrophobicContact CG-CG 4.13Å
25	C	94.3	Very high	94.1	Very high	37 Å²	37	48.7 Å²	48.7	25%	0.25	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	6.1	-179.5	-51.8	0	0	0	0	116.2	P23 H166 T173	P23-C25 PolarHBondContact O-N 3.44Å; C25-H166 VanDerWaalsContact SG-CD2 3.53Å; C25-T173 HydrophobicContact CB-CG2 3.93Å
26	E	95.2	Very high	93.8	Very high	24 Å²	24	52.8 Å²	52.8	11%	0.112	27%	0.27	C	S	.	.			trans	-122.2	21.2	178.8	-67	166.2	-113.7	0	0	111.9	P23 P24 E29 V30 T173 H203 Y205	P23-E26 HydrophobicContact CB-CB 4.24Å; P23-E26 PolarHBondContact O-N 2.86Å; P24-E26 PolarHBondContact O-N 2.7Å; P24-E26 VanDerWaalsContact O-N 3.14Å; E26-E29 VanDerWaalsContact CA-OE2 3.28Å; E26-E29 WeakPolarHBondContact CA-OE2 3.32Å; E26-V30 WeakPolarHBondContact O-CG2 3.42Å; E26-V30 PolarHBondContact O-N 3.09Å; E26-T173 HydrophobicContact CG-CG2 4.02Å; E26-T173 WeakPolarHBondContact OE1-CG2 3.12Å; E26-T173 PolarHBondContact OE1-OG1 2.98Å; E26-H203 IonicContact OE1-CE1 3.16Å; E26-H203 IonicContact OE1-CG 3.73Å; E26-H203 IonicContact OE1-ND1 2.68Å; E26-H203 PolarHBondContact OE1-ND1 2.75Å; E26-H203 IonicContact OE2-CE1 3.56Å; E26-H203 PolarHBondContact OE2-CE1 2.84Å; E26-H203 IonicContact OE2-ND1 2.9Å; E26-H203 PolarHBondContact OE2-ND1 2.89Å; E26-Y205 WeakPolarHBondContact OE1-CE1 3.38Å
27	F	94.5	Very high	93.3	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-67.2	-41.9	-173.5	175.6	-103.4	0	0	0	113.2	V19 A22 V30 L31 V52 Y55	V19-F27 HydrophobicContact CG1-CE2 3.58Å; V19-F27 HydrophobicContact CG1-CZ 4.19Å; A22-F27 HydrophobicContact CB-CD2 4.08Å; F27-V30 PolarHBondContact O-N 3.29Å; F27-L31 HydrophobicContact CE1-CD2 4Å; F27-L31 HydrophobicContact CZ-CD2 4.36Å; F27-L31 VanDerWaalsContact O-CB 3.29Å; F27-L31 WeakPolarHBondContact O-CB 3.32Å; F27-L31 PolarHBondContact O-N 3.44Å; F27-V52 HydrophobicContact CE1-CG1 4.07Å; F27-V52 HydrophobicContact CZ-CB 3.99Å; F27-V52 HydrophobicContact CZ-CG1 3.57Å; F27-V52 HydrophobicContact CZ-CG2 3.82Å; F27-Y55 HydrophobicContact CB-CE1 3.65Å; F27-Y55 HydrophobicContact CD1-CE1 4.42Å; F27-Y55 AromaticContact CD2-CD1 3.16Å; F27-Y55 HydrophobicContact CD2-CD1 3.16Å; F27-Y55 HydrophobicContact CD2-CD2 4.16Å; F27-Y55 AromaticContact CD2-CE1 3.08Å; F27-Y55 HydrophobicContact CD2-CE1 3.08Å; F27-Y55 HydrophobicContact CD2-CE2 4.11Å; F27-Y55 AromaticContact CD2-CG 3.71Å; F27-Y55 HydrophobicContact CD2-CG 3.71Å; F27-Y55 AromaticContact CD2-CZ 3.58Å; F27-Y55 AromaticContact CE2-CD1 3.22Å; F27-Y55 HydrophobicContact CE2-CD1 3.22Å; F27-Y55 HydrophobicContact CE2-CD2 4.29Å; F27-Y55 AromaticContact CE2-CE1 3.71Å; F27-Y55 HydrophobicContact CE2-CE1 3.71Å; F27-Y55 AromaticContact CE2-CG 3.55Å; F27-Y55 HydrophobicContact CE2-CG 3.55Å; F27-Y55 AromaticContact CG-CD1 3.86Å; F27-Y55 HydrophobicContact CG-CD1 3.86Å; F27-Y55 AromaticContact CG-CE1 3.47Å; F27-Y55 HydrophobicContact CG-CE1 3.47Å; F27-Y55 VanDerWaalsContact CG-CE1 3.47Å; F27-Y55 HydrophobicContact CZ-CD1 4.02Å
28	N	93.1	Very high	92.7	Very high	74 Å²	74	55 Å²	55	40%	0.396	29%	0.285	S	S	.	.	H	α-helix	trans	-69.8	-39.2	-175	-68.9	-36.9	0	0	0	110.6	L31 D32	N28-L31 PolarHBondContact O-N 3.23Å; N28-D32 WeakPolarHBondContact O-CB 3.41Å; N28-D32 VanDerWaalsContact O-CG 3.3Å; N28-D32 PolarHBondContact O-N 3.37Å
29	E	93.5	Very high	91.9	Very high	110 Å²	110	52.7 Å²	52.7	51%	0.514	28%	0.282	S	S	.	.	H	α-helix	trans	-59.4	-50.2	174.3	-64.4	80.8	176.7	0	0	110.9	E26 L31 D32 D33	E26-E29 VanDerWaalsContact CA-OE2 3.28Å; E26-E29 WeakPolarHBondContact CA-OE2 3.32Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 3.49Å; E29-D32 PolarHBondContact O-N 2.91Å; E29-D33 PolarHBondContact O-N 2.76Å
30	V	94.6	Very high	91.3	Very high	32 Å²	32	60.7 Å²	60.7	19%	0.194	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-40.3	177	172.6	0	0	0	0	111.6	A22 E26 F27 D33 I34	A22-V30 HydrophobicContact CB-CB 3.93Å; A22-V30 HydrophobicContact CB-CG1 3.96Å; A22-V30 HydrophobicContact CB-CG2 4Å; E26-V30 WeakPolarHBondContact O-CG2 3.42Å; E26-V30 PolarHBondContact O-N 3.09Å; F27-V30 PolarHBondContact O-N 3.29Å; V30-D33 PolarHBondContact O-N 2.98Å; V30-I34 HydrophobicContact CG1-CD1 3.69Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 WeakPolarHBondContact O-CB 3.48Å; V30-I34 WeakPolarHBondContact O-CD1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.46Å; V30-I34 PolarHBondContact O-N 3.5Å
31	L	93.2	Very high	90.8	Very high	2 Å²	2	60 Å²	60	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-41.7	178.5	-178.4	60.7	0	0	0	111.8	V19 F27 N28 E29 I34 R35 L48 V52 L99	V19-L31 HydrophobicContact CG2-CD1 4.17Å; F27-L31 HydrophobicContact CE1-CD2 4Å; F27-L31 HydrophobicContact CZ-CD2 4.36Å; F27-L31 VanDerWaalsContact O-CB 3.29Å; F27-L31 WeakPolarHBondContact O-CB 3.32Å; F27-L31 PolarHBondContact O-N 3.44Å; N28-L31 PolarHBondContact O-N 3.23Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 3.49Å; L31-I34 PolarHBondContact O-N 3.2Å; L31-R35 VanDerWaalsContact O-CG 3.3Å; L31-R35 WeakPolarHBondContact O-CG 3.31Å; L31-R35 PolarHBondContact O-N 3.39Å; L31-L48 HydrophobicContact CD1-CD1 4.13Å; L31-L48 HydrophobicContact CD1-CD2 3.91Å; L31-L48 HydrophobicContact CD1-CG 4.09Å; L31-V52 HydrophobicContact CD1-CG2 3.95Å; L31-V52 HydrophobicContact CD2-CG2 4.45Å; L31-L99 HydrophobicContact CD2-CD2 4.49Å
32	D	92.5	Very high	90.3	Very high	83 Å²	83	61.2 Å²	61.2	44%	0.444	32%	0.324	S	S	.	.	H	α-helix	trans	-69	-39.4	178.5	-72.9	-18.2	0	0	0	111.6	N28 E29 I34 R35 C36	N28-D32 WeakPolarHBondContact O-CB 3.41Å; N28-D32 VanDerWaalsContact O-CG 3.3Å; N28-D32 PolarHBondContact O-N 3.37Å; E29-D32 PolarHBondContact O-N 2.91Å; D32-I34 VanDerWaalsContact C-N 3.35Å; D32-I34 PolarHBondContact O-N 3.04Å; D32-R35 PolarHBondContact O-N 2.92Å; D32-R35 IonicContact OD1-NH1 3.88Å; D32-R35 PolarHBondContact OD1-NH1 2.77Å; D32-R35 VanDerWaalsContact OD1-NH1 3.16Å; D32-C36 PolarHBondContact O-N 3.33Å; D32-C36 VanDerWaalsContact O-N 3.14Å; D32-C36 PolarHBondContact O-SG 3Å
33	D	93.6	Very high	89.8	Confident	101 Å²	101	66.5 Å²	66.5	54%	0.54	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-45.3	171.7	-76.3	-21.3	0	0	0	111.3	E29 V30 R35 C36 F37	E29-D33 PolarHBondContact O-N 2.76Å; V30-D33 PolarHBondContact O-N 2.98Å; D33-R35 PolarHBondContact O-N 2.78Å; D33-C36 WeakPolarHBondContact O-CB 3.41Å; D33-C36 PolarHBondContact O-N 3.22Å; D33-F37 WeakPolarHBondContact O-CD2 3.15Å; D33-F37 WeakPolarHBondContact O-CE2 3.41Å
34	I	92.3	Very high	89.4	Confident	11 Å²	11	66.1 Å²	66.1	6%	0.056	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-41.7	178.6	-70.3	164.9	0	0	0	111	C15 L18 V19 V30 L31 D32 C36 F37 A38 L48	C15-I34 HydrophobicContact CB-CG2 3.76Å; L18-I34 HydrophobicContact CB-CD1 3.55Å; L18-I34 HydrophobicContact CB-CG1 4.19Å; L18-I34 HydrophobicContact CD1-CG1 4.49Å; V19-I34 HydrophobicContact CB-CD1 4.33Å; V19-I34 HydrophobicContact CG2-CD1 3.41Å; V19-I34 VanDerWaalsContact CG2-CD1 3.41Å; V30-I34 HydrophobicContact CG1-CD1 3.69Å; V30-I34 HydrophobicContact CG1-CG1 4.46Å; V30-I34 WeakPolarHBondContact O-CB 3.48Å; V30-I34 WeakPolarHBondContact O-CD1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.46Å; V30-I34 PolarHBondContact O-N 3.5Å; L31-I34 PolarHBondContact O-N 3.2Å; D32-I34 VanDerWaalsContact C-N 3.35Å; D32-I34 PolarHBondContact O-N 3.04Å; I34-C36 PolarHBondContact O-N 2.78Å; I34-F37 PolarHBondContact O-N 2.96Å; I34-F37 VanDerWaalsContact O-N 3.12Å; I34-A38 VanDerWaalsContact O-CB 3.29Å; I34-A38 WeakPolarHBondContact O-CB 3.33Å; I34-A38 PolarHBondContact O-N 2.79Å; I34-L48 HydrophobicContact CG2-CD1 3.98Å
35	R	89.7	Confident	89.2	Confident	91 Å²	91	69.3 Å²	69.3	34%	0.343	36%	0.361	S	S	.	.	H	α-helix	trans	-59	-34.6	176.8	-78.5	170.2	171.8	160	-1.1	112.5	L31 D32 D33 F37 G39	L31-R35 VanDerWaalsContact O-CG 3.3Å; L31-R35 WeakPolarHBondContact O-CG 3.31Å; L31-R35 PolarHBondContact O-N 3.39Å; D32-R35 PolarHBondContact O-N 2.92Å; D32-R35 IonicContact OD1-NH1 3.88Å; D32-R35 PolarHBondContact OD1-NH1 2.77Å; D32-R35 VanDerWaalsContact OD1-NH1 3.16Å; D33-R35 PolarHBondContact O-N 2.78Å; R35-F37 VanDerWaalsContact C-N 3.26Å; R35-F37 PolarHBondContact O-N 3.48Å; R35-G39 PolarHBondContact O-N 2.98Å
36	C	87.6	Confident	89	Confident	101 Å²	101	73.8 Å²	73.8	68%	0.682	38%	0.378	S	S	*	.	H	α-helix	trans	-61.4	-32.2	177.4	-67.6	0	0	0	0	113.1	D32 D33 I34	D32-C36 PolarHBondContact O-N 3.33Å; D32-C36 VanDerWaalsContact O-N 3.14Å; D32-C36 PolarHBondContact O-SG 3Å; D33-C36 WeakPolarHBondContact O-CB 3.41Å; D33-C36 PolarHBondContact O-N 3.22Å; I34-C36 PolarHBondContact O-N 2.78Å
37	F	81.9	Confident	88.8	Confident	185 Å²	185	76.1 Å²	76.1	81%	0.811	39%	0.388	S	S	*	.	H	α-helix	trans	-102.8	-22.5	-179.1	-54.2	-73.4	0	0	0	114	D33 I34 R35	D33-F37 WeakPolarHBondContact O-CD2 3.15Å; D33-F37 WeakPolarHBondContact O-CE2 3.41Å; I34-F37 PolarHBondContact O-N 2.96Å; I34-F37 VanDerWaalsContact O-N 3.12Å; R35-F37 VanDerWaalsContact C-N 3.26Å; R35-F37 PolarHBondContact O-N 3.48Å
38	A	82.4	Confident	88.7	Confident	12 Å²	12	75.9 Å²	75.9	10%	0.099	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-35.5	177.5	0	0	0	0	0	112.8	I34 I44	I34-A38 VanDerWaalsContact O-CB 3.29Å; I34-A38 WeakPolarHBondContact O-CB 3.33Å; I34-A38 PolarHBondContact O-N 2.79Å; A38-I44 HydrophobicContact CB-CG2 3.69Å
39	G	78.1	Confident	88.7	Confident	36 Å²	36	74.3 Å²	74.3	37%	0.371	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-157.2	-171.8	0	0	0	0	0	112.9	R35 D41 Q45	R35-G39 PolarHBondContact O-N 2.98Å; G39-D41 PolarHBondContact O-N 3.46Å; G39-Q45 PolarHBondContact O-NE2 2.81Å; G39-Q45 VanDerWaalsContact O-NE2 3.1Å
40	D	81.7	Confident	88.8	Confident	168 Å²	168	72.1 Å²	72.1	90%	0.898	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	19.2	-173.7	-61.6	-37.5	0	0	0	113.9	H42	D40-H42 PolarHBondContact O-N 2.88Å
41	D	85.5	Confident	88.8	Confident	58 Å²	58	71.2 Å²	71.2	31%	0.31	38%	0.38	S	S	.	.			trans	-68.4	119.4	-178.9	-170.4	-58.5	0	0	0	111.3	G39 Q43 I44 Q45	G39-D41 PolarHBondContact O-N 3.46Å; D41-Q43 VanDerWaalsContact C-N 3.32Å; D41-Q43 PolarHBondContact O-N 2.92Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.43Å; D41-Q43 PolarHBondContact OD1-N 3.47Å; D41-I44 HydrophobicContact CB-CB 4.2Å; D41-I44 HydrophobicContact CB-CD1 3.8Å; D41-I44 HydrophobicContact CB-CG1 3.86Å; D41-I44 PolarHBondContact O-N 2.98Å; D41-I44 PolarHBondContact OD1-N 2.94Å; D41-Q45 WeakPolarHBondContact O-CG 3.41Å; D41-Q45 PolarHBondContact O-N 3.2Å
42	H	87.4	Confident	89	Confident	141 Å²	141	71.1 Å²	71.1	65%	0.653	38%	0.379	S	S	*	.	H	α-helix	trans	-58.6	-39	-177.4	-178.2	-76.6	0	0	0	113.3	D40 I44 Q45 E46	D40-H42 PolarHBondContact O-N 2.88Å; H42-I44 VanDerWaalsContact C-N 3.33Å; H42-Q45 PolarHBondContact O-N 2.84Å; H42-E46 IonicContact CE1-OE2 2.96Å; H42-E46 IonicContact ND1-OE2 2.76Å; H42-E46 PolarHBondContact O-N 2.82Å
43	Q	85.1	Confident	89.2	Confident	112 Å²	112	68 Å²	68	52%	0.523	37%	0.365	S	S	.	.	H	α-helix	trans	-66.9	-39.3	-179.3	-62	-177.1	0.7	0	0	110.8	D41 K47	D41-Q43 VanDerWaalsContact C-N 3.32Å; D41-Q43 PolarHBondContact O-N 2.92Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.43Å; D41-Q43 PolarHBondContact OD1-N 3.47Å; Q43-K47 PolarHBondContact O-N 3.11Å
44	I	87.3	Confident	89.4	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-46.2	175.3	-57.2	-179.9	0	0	0	109.8	K11 A12 C15 A38 D41 H42 E46 K47 L48	K11-I44 HydrophobicContact CB-CD1 3.95Å; A12-I44 HydrophobicContact CB-CB 4.4Å; A12-I44 HydrophobicContact CB-CG1 3.95Å; C15-I44 HydrophobicContact CB-CG2 4.09Å; A38-I44 HydrophobicContact CB-CG2 3.69Å; D41-I44 HydrophobicContact CB-CB 4.2Å; D41-I44 HydrophobicContact CB-CD1 3.8Å; D41-I44 HydrophobicContact CB-CG1 3.86Å; D41-I44 PolarHBondContact O-N 2.98Å; D41-I44 PolarHBondContact OD1-N 2.94Å; H42-I44 VanDerWaalsContact C-N 3.33Å; I44-E46 PolarHBondContact O-N 2.85Å; I44-K47 PolarHBondContact O-N 3.27Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 PolarHBondContact O-N 2.92Å
45	Q	89.1	Confident	89.6	Confident	67 Å²	67	66.4 Å²	66.4	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-62.7	-40	-179.4	-65.1	-61	-30	0	0	113	G39 D41 H42 L48 A49	G39-Q45 PolarHBondContact O-NE2 2.81Å; G39-Q45 VanDerWaalsContact O-NE2 3.1Å; D41-Q45 WeakPolarHBondContact O-CG 3.41Å; D41-Q45 PolarHBondContact O-N 3.2Å; H42-Q45 PolarHBondContact O-N 2.84Å; Q45-L48 PolarHBondContact O-N 2.92Å; Q45-A49 WeakPolarHBondContact O-CB 3.43Å; Q45-A49 PolarHBondContact O-N 3.14Å
46	E	90.7	Very high	90	Very high	130 Å²	130	62 Å²	62	61%	0.607	34%	0.337	S	S	*	.	H	α-helix	trans	-64	-49	177.1	-175.2	176.5	178.3	0	0	111.6	H42 I44 L48 A49 A50	H42-E46 IonicContact CE1-OE2 2.96Å; H42-E46 IonicContact ND1-OE2 2.76Å; H42-E46 PolarHBondContact O-N 2.82Å; I44-E46 PolarHBondContact O-N 2.85Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 2.69Å; E46-A49 PolarHBondContact O-N 2.69Å; E46-A50 PolarHBondContact O-N 3.39Å; E46-A50 VanDerWaalsContact O-N 3.17Å
47	K	92.1	Very high	90.5	Very high	74 Å²	74	59 Å²	59	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-34.3	178.8	-160.9	169.6	-179.7	149.8	0	112.1	A12 D13 A16 Q43 I44 S51	A12-K47 HydrophobicContact CB-CB 4.22Å; A12-K47 HydrophobicContact CB-CD 3.9Å; D13-K47 WeakPolarHBondContact OD1-CE 3.49Å; D13-K47 IonicContact OD1-NZ 2.81Å; D13-K47 PolarHBondContact OD1-NZ 3.36Å; D13-K47 IonicContact OD2-NZ 2.84Å; D13-K47 PolarHBondContact OD2-NZ 3.23Å; A16-K47 HydrophobicContact CB-CD 4.26Å; A16-K47 HydrophobicContact CB-CG 3.96Å; Q43-K47 PolarHBondContact O-N 3.11Å; I44-K47 PolarHBondContact O-N 3.27Å; K47-S51 WeakPolarHBondContact O-CB 3.3Å; K47-S51 PolarHBondContact O-N 3.15Å; K47-S51 PolarHBondContact O-OG 2.87Å
48	L	92.4	Very high	91.2	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-49.3	173.5	-169.7	70.7	0	0	0	110.6	C15 V19 L31 I34 I44 Q45 E46 A50 S51 V52	C15-L48 HydrophobicContact CB-CD1 4.48Å; V19-L48 HydrophobicContact CB-CD1 4.42Å; V19-L48 HydrophobicContact CG2-CD1 3.29Å; V19-L48 HydrophobicContact CG2-CG 4.48Å; L31-L48 HydrophobicContact CD1-CD1 4.13Å; L31-L48 HydrophobicContact CD1-CD2 3.91Å; L31-L48 HydrophobicContact CD1-CG 4.09Å; I34-L48 HydrophobicContact CG2-CD1 3.98Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 PolarHBondContact O-N 2.92Å; Q45-L48 PolarHBondContact O-N 2.92Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-L48 PolarHBondContact O-N 2.69Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 3.35Å; L48-S51 PolarHBondContact O-N 2.85Å; L48-S51 VanDerWaalsContact O-N 3.07Å; L48-V52 HydrophobicContact CG-CG2 4.37Å; L48-V52 WeakPolarHBondContact O-CB 3.33Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 3.42Å
49	A	92.9	Very high	91.9	Very high	41 Å²	41	53.9 Å²	53.9	34%	0.339	29%	0.291	S	S	.	.	H	α-helix	trans	-58.1	-43	178.9	0	0	0	0	0	112.5	Q45 E46 S51 V52 A53	Q45-A49 WeakPolarHBondContact O-CB 3.43Å; Q45-A49 PolarHBondContact O-N 3.14Å; E46-A49 PolarHBondContact O-N 2.69Å; A49-S51 PolarHBondContact O-N 3.36Å; A49-V52 PolarHBondContact O-N 2.96Å; A49-A53 PolarHBondContact O-N 3.47Å
50	A	94.3	Very high	92.8	Very high	64 Å²	64	52.8 Å²	52.8	53%	0.529	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-41.4	174.6	0	0	0	0	0	112.4	E46 L48 A53 Q54	E46-A50 PolarHBondContact O-N 3.39Å; E46-A50 VanDerWaalsContact O-N 3.17Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 3.35Å; A50-A53 PolarHBondContact O-N 3Å; A50-Q54 PolarHBondContact O-N 3.23Å
51	S	95.8	Very high	93.5	Very high	13 Å²	13	45.7 Å²	45.7	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-69.6	-36.1	179.2	-55.3	0	0	0	0	112.5	A16 L20 K47 L48 A49 Q54 Y55	A16-S51 WeakPolarHBondContact CA-OG 3.24Å; A16-S51 WeakPolarHBondContact CB-OG 3.3Å; L20-S51 WeakPolarHBondContact CD2-O 3.49Å; K47-S51 WeakPolarHBondContact O-CB 3.3Å; K47-S51 PolarHBondContact O-N 3.15Å; K47-S51 PolarHBondContact O-OG 2.87Å; L48-S51 PolarHBondContact O-N 2.85Å; L48-S51 VanDerWaalsContact O-N 3.07Å; A49-S51 PolarHBondContact O-N 3.36Å; S51-Q54 PolarHBondContact O-N 3.37Å; S51-Y55 WeakPolarHBondContact O-CB 3.47Å; S51-Y55 PolarHBondContact O-N 2.85Å
52	V	96.4	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-43.1	173.2	167.9	0	0	0	0	110.3	V19 F27 L31 L48 A49 Y55 N56 H98 L99	V19-V52 HydrophobicContact CG1-CG2 3.88Å; F27-V52 HydrophobicContact CE1-CG1 4.07Å; F27-V52 HydrophobicContact CZ-CB 3.99Å; F27-V52 HydrophobicContact CZ-CG1 3.57Å; F27-V52 HydrophobicContact CZ-CG2 3.82Å; L31-V52 HydrophobicContact CD1-CG2 3.95Å; L31-V52 HydrophobicContact CD2-CG2 4.45Å; L48-V52 HydrophobicContact CG-CG2 4.37Å; L48-V52 WeakPolarHBondContact O-CB 3.33Å; L48-V52 WeakPolarHBondContact O-CG2 3.46Å; L48-V52 PolarHBondContact O-N 3.42Å; A49-V52 PolarHBondContact O-N 2.96Å; V52-Y55 PolarHBondContact O-N 2.84Å; V52-N56 VanDerWaalsContact O-CG 3.27Å; V52-N56 PolarHBondContact O-N 2.95Å; V52-N56 PolarHBondContact O-ND2 3.01Å; V52-H98 HydrophobicContact CG1-CB 3.95Å; V52-H98 WeakPolarHBondContact CG1-O 3.32Å; V52-L99 HydrophobicContact CB-CD2 4.21Å; V52-L99 HydrophobicContact CG1-CD2 3.93Å; V52-L99 HydrophobicContact CG2-CD2 3.97Å
53	A	96.7	Very high	94.2	Very high	17 Å²	17	40 Å²	40	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-43.6	174.7	0	0	0	0	0	112.2	A49 A50 N56 K57 H98	A49-A53 PolarHBondContact O-N 3.47Å; A50-A53 PolarHBondContact O-N 3Å; A53-N56 PolarHBondContact O-N 3.21Å; A53-K57 WeakPolarHBondContact O-CG 3.23Å; A53-K57 PolarHBondContact O-N 2.82Å; A53-K57 VanDerWaalsContact O-N 3.17Å; A53-H98 HydrophobicContact CB-CB 4.31Å; A53-H98 VanDerWaalsContact CB-CD2 3.45Å; A53-H98 WeakPolarHBondContact CB-CD2 3.44Å
54	Q	97.1	Very high	94.6	Very high	76 Å²	76	42.1 Å²	42.1	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-47.8	176.3	-178.2	59.8	26.1	0	0	111.9	L20 A50 S51 N56 K57 D58	L20-Q54 HydrophobicContact CD2-CB 3.98Å; L20-Q54 HydrophobicContact CD2-CG 3.86Å; A50-Q54 PolarHBondContact O-N 3.23Å; S51-Q54 PolarHBondContact O-N 3.37Å; Q54-N56 VanDerWaalsContact C-N 3.33Å; Q54-N56 PolarHBondContact O-N 3.05Å; Q54-K57 PolarHBondContact O-N 2.94Å; Q54-D58 PolarHBondContact NE2-OD1 3.45Å; Q54-D58 PolarHBondContact NE2-OD2 3.45Å; Q54-D58 WeakPolarHBondContact O-CB 3.45Å; Q54-D58 PolarHBondContact O-N 2.88Å
55	Y	97.7	Very high	95	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-54.5	-49.9	176.5	177.1	-92.1	0	0	0	111.3	V19 A22 P23 F27 S51 V52 K57 D58 Q59	V19-Y55 WeakPolarHBondContact O-CD2 3.3Å; A22-Y55 HydrophobicContact CB-CE2 3.85Å; A22-Y55 WeakPolarHBondContact O-CE2 3.28Å; A22-Y55 PolarHBondContact O-OH 3.02Å; P23-Y55 PolarHBondContact O-OH 3.32Å; P23-Y55 VanDerWaalsContact O-OH 3.13Å; F27-Y55 HydrophobicContact CB-CE1 3.65Å; F27-Y55 HydrophobicContact CD1-CE1 4.42Å; F27-Y55 AromaticContact CD2-CD1 3.16Å; F27-Y55 HydrophobicContact CD2-CD1 3.16Å; F27-Y55 HydrophobicContact CD2-CD2 4.16Å; F27-Y55 AromaticContact CD2-CE1 3.08Å; F27-Y55 HydrophobicContact CD2-CE1 3.08Å; F27-Y55 HydrophobicContact CD2-CE2 4.11Å; F27-Y55 AromaticContact CD2-CG 3.71Å; F27-Y55 HydrophobicContact CD2-CG 3.71Å; F27-Y55 AromaticContact CD2-CZ 3.58Å; F27-Y55 AromaticContact CE2-CD1 3.22Å; F27-Y55 HydrophobicContact CE2-CD1 3.22Å; F27-Y55 HydrophobicContact CE2-CD2 4.29Å; F27-Y55 AromaticContact CE2-CE1 3.71Å; F27-Y55 HydrophobicContact CE2-CE1 3.71Å; F27-Y55 AromaticContact CE2-CG 3.55Å; F27-Y55 HydrophobicContact CE2-CG 3.55Å; F27-Y55 AromaticContact CG-CD1 3.86Å; F27-Y55 HydrophobicContact CG-CD1 3.86Å; F27-Y55 AromaticContact CG-CE1 3.47Å; F27-Y55 HydrophobicContact CG-CE1 3.47Å; F27-Y55 VanDerWaalsContact CG-CE1 3.47Å; F27-Y55 HydrophobicContact CZ-CD1 4.02Å; S51-Y55 WeakPolarHBondContact O-CB 3.47Å; S51-Y55 PolarHBondContact O-N 2.85Å; V52-Y55 PolarHBondContact O-N 2.84Å; Y55-K57 VanDerWaalsContact C-N 3.29Å; Y55-K57 PolarHBondContact O-N 3.28Å; Y55-D58 PolarHBondContact O-N 2.82Å; Y55-Q59 HydrophobicContact CD1-CG 4.01Å; Y55-Q59 HydrophobicContact CD2-CG 3.84Å; Y55-Q59 HydrophobicContact CE1-CB 4.33Å; Y55-Q59 HydrophobicContact CE1-CG 3.74Å; Y55-Q59 HydrophobicContact CE2-CG 3.54Å; Y55-Q59 HydrophobicContact CG-CG 4.08Å; Y55-Q59 WeakPolarHBondContact O-CB 3.29Å; Y55-Q59 WeakPolarHBondContact O-CG 3.39Å; Y55-Q59 PolarHBondContact O-N 3.47Å
56	N	97.5	Very high	95.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-39.5	-178.5	-72.7	-39.1	0	0	0	112.4	V52 A53 Q54 M60 I61 I74 F96 H98 Q101	V52-N56 VanDerWaalsContact O-CG 3.27Å; V52-N56 PolarHBondContact O-N 2.95Å; V52-N56 PolarHBondContact O-ND2 3.01Å; A53-N56 PolarHBondContact O-N 3.21Å; Q54-N56 VanDerWaalsContact C-N 3.33Å; Q54-N56 PolarHBondContact O-N 3.05Å; N56-M60 PolarHBondContact O-N 2.81Å; N56-I61 HydrophobicContact CB-CG1 4.11Å; N56-I61 PolarHBondContact O-N 2.9Å; N56-I74 HydrophobicContact CB-CG2 4.34Å; N56-F96 HydrophobicContact CB-CE1 4.38Å; N56-H98 WeakPolarHBondContact ND2-CA 3.45Å; N56-H98 WeakPolarHBondContact ND2-CB 3.15Å; N56-H98 PolarHBondContact ND2-ND1 2.88Å; N56-H98 VanDerWaalsContact ND2-ND1 3.16Å; N56-H98 PolarHBondContact ND2-O 2.81Å; N56-Q101 PolarHBondContact OD1-NE2 2.96Å
57	K	97.6	Very high	95.3	Very high	38 Å²	38	44.8 Å²	44.8	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-45.8	176.6	-73.1	-173.3	-74.6	-173.1	0	112.4	A53 Q54 Y55 Q59 M60 I74 A76 D79 F85	A53-K57 WeakPolarHBondContact O-CG 3.23Å; A53-K57 PolarHBondContact O-N 2.82Å; A53-K57 VanDerWaalsContact O-N 3.17Å; Q54-K57 PolarHBondContact O-N 2.94Å; Y55-K57 VanDerWaalsContact C-N 3.29Å; Y55-K57 PolarHBondContact O-N 3.28Å; K57-Q59 VanDerWaalsContact C-N 3.29Å; K57-Q59 PolarHBondContact O-N 2.85Å; K57-M60 PolarHBondContact O-N 2.87Å; K57-I74 WeakPolarHBondContact CA-O 3.39Å; K57-I74 HydrophobicContact CG-CG2 4.02Å; K57-A76 HydrophobicContact CD-CB 4.47Å; K57-D79 HydrophobicContact CD-CB 4.5Å; K57-D79 IonicContact NZ-OD2 3.94Å; K57-D79 PolarHBondContact NZ-OD2 3.21Å; K57-F85 HydrophobicContact CD-CE1 4.29Å; K57-F85 HydrophobicContact CD-CZ 4.47Å; K57-F85 HydrophobicContact CG-CE1 4.31Å; K57-F85 HydrophobicContact CG-CZ 4.5Å
58	D	97	Very high	95.4	Very high	77 Å²	77	42 Å²	42	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-65.4	-36.5	179.8	-74	-18	0	0	0	111.8	Q54 Y55 M60 R177	Q54-D58 PolarHBondContact NE2-OD1 3.45Å; Q54-D58 PolarHBondContact NE2-OD2 3.45Å; Q54-D58 WeakPolarHBondContact O-CB 3.45Å; Q54-D58 PolarHBondContact O-N 2.88Å; Y55-D58 PolarHBondContact O-N 2.82Å; D58-M60 VanDerWaalsContact C-N 3.26Å; D58-M60 PolarHBondContact O-N 3.34Å; D58-R177 WeakPolarHBondContact O-CD 3.4Å; D58-R177 PolarHBondContact O-NH1 2.96Å
59	Q	97.1	Very high	95.4	Very high	11 Å²	11	49.2 Å²	49.2	5%	0.051	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.2	179.6	-65.1	-64.1	-30.6	0	0	113.6	Y55 K57 I61	Y55-Q59 HydrophobicContact CD1-CG 4.01Å; Y55-Q59 HydrophobicContact CD2-CG 3.84Å; Y55-Q59 HydrophobicContact CE1-CB 4.33Å; Y55-Q59 HydrophobicContact CE1-CG 3.74Å; Y55-Q59 HydrophobicContact CE2-CG 3.54Å; Y55-Q59 HydrophobicContact CG-CG 4.08Å; Y55-Q59 WeakPolarHBondContact O-CB 3.29Å; Y55-Q59 WeakPolarHBondContact O-CG 3.39Å; Y55-Q59 PolarHBondContact O-N 3.47Å; K57-Q59 VanDerWaalsContact C-N 3.29Å; K57-Q59 PolarHBondContact O-N 2.85Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-I61 HydrophobicContact CB-CD1 3.96Å; Q59-I61 HydrophobicContact CB-CG1 4.31Å; Q59-I61 PolarHBondContact O-N 2.61Å
60	M	97.5	Very high	95.5	Very high	14 Å²	14	50.5 Å²	50.5	7%	0.069	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	48.7	-179.9	-55.5	177.2	-179.4	0	0	111.6	N56 K57 D58 H62 L73 I74 T75 C162 E164 R177 E179	N56-M60 PolarHBondContact O-N 2.81Å; K57-M60 PolarHBondContact O-N 2.87Å; D58-M60 VanDerWaalsContact C-N 3.26Å; D58-M60 PolarHBondContact O-N 3.34Å; M60-H62 PolarHBondContact O-N 2.86Å; M60-H62 VanDerWaalsContact O-N 3.15Å; M60-L73 WeakPolarHBondContact O-CD2 3.49Å; M60-I74 WeakPolarHBondContact CA-O 3.45Å; M60-T75 HydrophobicContact CG-CG2 4.25Å; M60-C162 HydrophobicContact CE-CB 4.3Å; M60-C162 HydrophobicContact SD-CB 3.9Å; M60-E164 HydrophobicContact CB-CB 4.11Å; M60-E164 HydrophobicContact CB-CG 4.17Å; M60-R177 HydrophobicContact CG-CG 4.48Å; M60-R177 HydrophobicContact SD-CB 4.1Å; M60-R177 HydrophobicContact SD-CG 4.09Å; M60-E179 HydrophobicContact CE-CB 4.03Å; M60-E179 HydrophobicContact CE-CG 4.49Å
61	I	95.6	Very high	95.5	Very high	19 Å²	19	49 Å²	49	10%	0.097	25%	0.248	C	C	.	.			trans	-56.1	125.3	-174.7	-62.6	-61.7	0	0	0	109.9	N56 Q59 V63 I74	N56-I61 HydrophobicContact CB-CG1 4.11Å; N56-I61 PolarHBondContact O-N 2.9Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-I61 HydrophobicContact CB-CD1 3.96Å; Q59-I61 HydrophobicContact CB-CG1 4.31Å; Q59-I61 PolarHBondContact O-N 2.61Å; I61-V63 HydrophobicContact CG2-CG2 4.28Å; I61-I74 HydrophobicContact CB-CB 4.46Å; I61-I74 WeakPolarHBondContact O-CG1 3.43Å; I61-I74 PolarHBondContact O-N 2.96Å
62	H	92.9	Very high	95.5	Very high	65 Å²	65	48.4 Å²	48.4	30%	0.301	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	142.9	177.6	79.6	172.3	0	0	0	110.9	M60 P71 T72 L73 A144 H166	M60-H62 PolarHBondContact O-N 2.86Å; M60-H62 VanDerWaalsContact O-N 3.15Å; H62-P71 HydrophobicContact CB-CB 4.33Å; H62-T72 CarbonylContact C-O 3.59Å; H62-T72 WeakPolarHBondContact CA-O 3.46Å; H62-L73 HydrophobicContact CB-CD2 3.89Å; H62-A144 HydrophobicContact CB-CB 3.94Å; H62-H166 AromaticContact CD2-CE1 3.77Å; H62-H166 AromaticContact CE1-CE1 3.32Å; H62-H166 PolarHBondContact CE1-CE1 3.45Å; H62-H166 AromaticContact CE1-NE2 4Å; H62-H166 AromaticContact ND1-CE1 3.78Å; H62-H166 AromaticContact NE2-CE1 3.33Å; H62-H166 PolarHBondContact NE2-CE1 3.42Å; H62-H166 VanDerWaalsContact NE2-CE1 3.33Å; H62-H166 AromaticContact NE2-NE2 3.85Å
63	V	94.6	Very high	95.6	Very high	14 Å²	14	48.4 Å²	48.4	9%	0.085	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	130.2	-173.9	176.9	0	0	0	0	109.1	I61 P71 T72 I74 F96 V103	I61-V63 HydrophobicContact CG2-CG2 4.28Å; V63-P71 CarbonylContact O-C 3.55Å; V63-P71 WeakPolarHBondContact O-CA 3.34Å; V63-T72 HydrophobicContact CB-CG2 4.29Å; V63-T72 PolarHBondContact N-O 3.28Å; V63-T72 WeakPolarHBondContact O-CG2 3.31Å; V63-T72 PolarHBondContact O-N 3.26Å; V63-I74 HydrophobicContact CG2-CD1 4.01Å; V63-I74 HydrophobicContact CG2-CG1 3.68Å; V63-F96 HydrophobicContact CG1-CE2 4.45Å; V63-F96 HydrophobicContact CG2-CD2 4.14Å; V63-F96 HydrophobicContact CG2-CE2 3.53Å; V63-F96 HydrophobicContact CG2-CZ 4.1Å; V63-V103 HydrophobicContact CB-CG2 4.46Å; V63-V103 HydrophobicContact CG1-CB 4.47Å; V63-V103 HydrophobicContact CG1-CG2 3.01Å
64	K	94.3	Very high	95.7	Very high	157 Å²	157	47.6 Å²	47.6	68%	0.683	24%	0.238	S	C	*	.			trans	-91.2	113.9	177.9	-170.6	169.1	-174.7	168.7	0	110.7
65	L	96	Very high	95.7	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	22%	0.221	C	C	.	.			trans	-77.9	150	172.7	-59.1	-177	0	0	0	111.1	N67 C68 T72 C87 L92 F94 V103	L65-N67 PolarHBondContact O-N 2.68Å; L65-C68 HydrophobicContact CB-CB 4.09Å; L65-C68 PolarHBondContact O-N 3.24Å; L65-T72 HydrophobicContact CD1-CG2 4.05Å; L65-T72 HydrophobicContact CD2-CG2 4.2Å; L65-T72 HydrophobicContact CG-CG2 3.86Å; L65-C87 HydrophobicContact CD1-CB 3.74Å; L65-L92 HydrophobicContact CD1-CB 4.3Å; L65-L92 HydrophobicContact CD1-CD1 4.13Å; L65-F94 HydrophobicContact CD1-CD1 3.81Å; L65-F94 HydrophobicContact CD1-CE1 4Å; L65-F94 HydrophobicContact CD2-CB 4.14Å; L65-F94 HydrophobicContact CD2-CD1 3.7Å; L65-F94 HydrophobicContact CD2-CD2 3.93Å; L65-F94 HydrophobicContact CD2-CE1 4.03Å; L65-F94 HydrophobicContact CD2-CE2 4.22Å; L65-F94 HydrophobicContact CD2-CG 3.65Å; L65-F94 HydrophobicContact CD2-CZ 4.26Å; L65-F94 HydrophobicContact CG-CD1 4.4Å; L65-V103 HydrophobicContact CD2-CG1 3.74Å; L65-V103 HydrophobicContact CD2-CG2 4.04Å
66	P	93.7	Very high	95.6	Very high	76 Å²	76	47 Å²	47	49%	0.494	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	135.9	172.7	-23.1	33.6	0	0	0	111.4	C68 V106	P66-C68 PolarHBondContact O-N 3.23Å; P66-C68 VanDerWaalsContact O-N 3.1Å; P66-V106 HydrophobicContact CG-CG2 4.25Å
67	N	91.4	Very high	95.6	Very high	176 Å²	176	50 Å²	50	94%	0.941	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	14.7	177.9	-49.8	-45.4	0	0	0	115.8	L65	L65-N67 PolarHBondContact O-N 2.68Å
68	C	94	Very high	95.5	Very high	15 Å²	15	48.1 Å²	48.1	10%	0.101	25%	0.25	C	C	.	.			trans	-98.4	135	173.1	-66.5	0	0	0	0	110.5	L65 P66 S90	L65-C68 HydrophobicContact CB-CB 4.09Å; L65-C68 PolarHBondContact O-N 3.24Å; P66-C68 PolarHBondContact O-N 3.23Å; P66-C68 VanDerWaalsContact O-N 3.1Å; C68-S90 PolarHBondContact SG-OG 3.37Å
69	E	93.2	Very high	95.4	Very high	153 Å²	153	46.7 Å²	46.7	72%	0.715	24%	0.242	S	C	*	.	S	Bend	trans	-68.6	-44.7	177.6	-175.2	-178.1	162.9	0	0	111.2
70	Y	94.6	Very high	95.3	Very high	68 Å²	68	48.4 Å²	48.4	27%	0.267	25%	0.251	S	S	.	.	S	Bend	trans	-103	145	-177.4	-57.7	-79.9	0	0	0	111.2	R89 T133	Y70-R89 VanDerWaalsContact CG-NH1 3.28Å; Y70-T133 HydrophobicContact CD1-CG2 3.89Å; Y70-T133 HydrophobicContact CE1-CG2 3.39Å; Y70-T133 HydrophobicContact CE2-CG2 4.38Å
71	P	95.3	Very high	95	Very high	33 Å²	33	49.2 Å²	49.2	21%	0.214	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-66.3	151.9	169	30.6	-35.5	0	0	0	110.9	H62 V63 A144	H62-P71 HydrophobicContact CB-CB 4.33Å; V63-P71 CarbonylContact O-C 3.55Å; V63-P71 WeakPolarHBondContact O-CA 3.34Å; P71-A144 HydrophobicContact CB-CB 4.35Å; P71-A144 HydrophobicContact CG-CB 3.61Å
72	T	95.7	Very high	94.9	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	162.5	170.4	-168.4	0	0	0	0	110.3	H62 V63 L65 F94 E146	H62-T72 CarbonylContact C-O 3.59Å; H62-T72 WeakPolarHBondContact CA-O 3.46Å; V63-T72 HydrophobicContact CB-CG2 4.29Å; V63-T72 PolarHBondContact N-O 3.28Å; V63-T72 WeakPolarHBondContact O-CG2 3.31Å; V63-T72 PolarHBondContact O-N 3.26Å; L65-T72 HydrophobicContact CD1-CG2 4.05Å; L65-T72 HydrophobicContact CD2-CG2 4.2Å; L65-T72 HydrophobicContact CG-CG2 3.86Å; T72-F94 HydrophobicContact CG2-CE1 3.86Å; T72-F94 HydrophobicContact CG2-CZ 3.65Å; T72-E146 WeakPolarHBondContact CB-OE2 3.22Å; T72-E146 PolarHBondContact OG1-OE2 3.46Å
73	L	97.8	Very high	95	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.6	-178.3	-61	179.9	0	0	0	111.2	M60 H62 T75 A144 E146 Y148 C162 E164	M60-L73 WeakPolarHBondContact O-CD2 3.49Å; H62-L73 HydrophobicContact CB-CD2 3.89Å; L73-T75 HydrophobicContact CB-CG2 3.78Å; L73-T75 PolarHBondContact O-N 3.47Å; L73-A144 HydrophobicContact CD2-CB 3.57Å; L73-A144 HydrophobicContact CG-CB 4.37Å; L73-E146 HydrophobicContact CB-CB 4.22Å; L73-E146 HydrophobicContact CD1-CB 4.13Å; L73-E146 HydrophobicContact CG-CB 4.15Å; L73-Y148 PolarHBondContact O-OH 3.01Å; L73-C162 HydrophobicContact CD1-CB 3.69Å; L73-C162 VanDerWaalsContact CD1-O 3.3Å; L73-C162 WeakPolarHBondContact CD1-O 3.49Å; L73-E164 HydrophobicContact CD2-CB 3.99Å
74	I	98	Very high	95.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.			trans	-78.2	107	167.9	-56.3	-57.4	0	0	0	108.2	N56 K57 M60 I61 V63 F85 F94 F96	N56-I74 HydrophobicContact CB-CG2 4.34Å; K57-I74 WeakPolarHBondContact CA-O 3.39Å; K57-I74 HydrophobicContact CG-CG2 4.02Å; M60-I74 WeakPolarHBondContact CA-O 3.45Å; I61-I74 HydrophobicContact CB-CB 4.46Å; I61-I74 WeakPolarHBondContact O-CG1 3.43Å; I61-I74 PolarHBondContact O-N 2.96Å; V63-I74 HydrophobicContact CG2-CD1 4.01Å; V63-I74 HydrophobicContact CG2-CG1 3.68Å; I74-F85 HydrophobicContact CD1-CD1 4.37Å; I74-F85 HydrophobicContact CD1-CD2 4.34Å; I74-F85 HydrophobicContact CD1-CG 4.17Å; I74-F85 HydrophobicContact CG2-CD1 4.29Å; I74-F85 HydrophobicContact CG2-CE1 3.74Å; I74-F85 HydrophobicContact CG2-CE2 4.49Å; I74-F85 HydrophobicContact CG2-CZ 3.86Å; I74-F94 HydrophobicContact CD1-CE2 3.71Å; I74-F94 HydrophobicContact CD1-CZ 3.9Å; I74-F96 HydrophobicContact CD1-CB 4.12Å; I74-F96 HydrophobicContact CD1-CD1 3.9Å; I74-F96 HydrophobicContact CD1-CD2 3.89Å; I74-F96 HydrophobicContact CD1-CE1 4.26Å; I74-F96 HydrophobicContact CD1-CE2 4.27Å; I74-F96 HydrophobicContact CD1-CG 3.69Å; I74-F96 HydrophobicContact CD1-CZ 4.42Å; I74-F96 HydrophobicContact CG1-CD1 4Å; I74-F96 HydrophobicContact CG1-CD2 4.3Å; I74-F96 HydrophobicContact CG1-CE1 3.86Å; I74-F96 HydrophobicContact CG1-CE2 4.18Å; I74-F96 HydrophobicContact CG1-CG 4.21Å; I74-F96 HydrophobicContact CG1-CZ 3.94Å; I74-F96 HydrophobicContact CG2-CD1 4.23Å; I74-F96 HydrophobicContact CG2-CE1 4.25Å
75	T	97.9	Very high	95.3	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	27%	0.272	C	S	.	.			trans	-135.1	163.7	-179.4	73.1	0	0	0	0	110.4	M60 L73 Y77 A78 D79 Y148 C162	M60-T75 HydrophobicContact CG-CG2 4.25Å; L73-T75 HydrophobicContact CB-CG2 3.78Å; L73-T75 PolarHBondContact O-N 3.47Å; T75-Y77 PolarHBondContact O-N 2.89Å; T75-Y77 PolarHBondContact OG1-N 2.86Å; T75-A78 PolarHBondContact O-N 3.05Å; T75-A78 PolarHBondContact OG1-N 3.4Å; T75-D79 PolarHBondContact O-N 2.97Å; T75-Y148 HydrophobicContact CG2-CE2 4.35Å; T75-Y148 WeakPolarHBondContact CG2-OH 3.33Å; T75-Y148 WeakPolarHBondContact OG1-CE2 3.4Å; T75-Y148 VanDerWaalsContact OG1-CZ 3.24Å; T75-Y148 PolarHBondContact OG1-OH 2.86Å; T75-C162 HydrophobicContact CG2-CB 4.33Å
76	A	96.6	Very high	95.2	Very high	65 Å²	65	49.2 Å²	49.2	54%	0.537	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.9	171.3	0	0	0	0	0	112.7	K57 A78 D79	K57-A76 HydrophobicContact CD-CB 4.47Å; A76-A78 VanDerWaalsContact C-N 3.34Å; A76-D79 PolarHBondContact O-N 2.96Å
77	Y	95.9	Very high	95.3	Very high	61 Å²	61	45.8 Å²	45.8	24%	0.239	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.6	179	-52.2	-64.7	0	0	0	113.1	T75 M86 Y148 L150 V160 E179	T75-Y77 PolarHBondContact O-N 2.89Å; T75-Y77 PolarHBondContact OG1-N 2.86Å; Y77-M86 WeakPolarHBondContact O-CE 3.48Å; Y77-Y148 HydrophobicContact CD2-CD2 4.25Å; Y77-Y148 HydrophobicContact CD2-CE2 4.22Å; Y77-Y148 HydrophobicContact CG-CD2 4.14Å; Y77-Y148 HydrophobicContact CG-CE2 4.39Å; Y77-L150 HydrophobicContact CD1-CD1 3.59Å; Y77-L150 HydrophobicContact CE1-CD1 4.4Å; Y77-L150 HydrophobicContact CG-CD1 4.23Å; Y77-V160 HydrophobicContact CD1-CG1 4.36Å; Y77-V160 HydrophobicContact CD1-CG2 4.29Å; Y77-V160 HydrophobicContact CD2-CG1 3.74Å; Y77-V160 HydrophobicContact CE1-CG1 4.17Å; Y77-V160 HydrophobicContact CE1-CG2 4.14Å; Y77-V160 HydrophobicContact CE2-CG1 3.53Å; Y77-V160 HydrophobicContact CG-CB 4.47Å; Y77-V160 HydrophobicContact CG-CG1 4.15Å; Y77-E179 HydrophobicContact CE2-CG 4.28Å; Y77-E179 WeakPolarHBondContact CE2-OE2 3.32Å; Y77-E179 PolarHBondContact OH-OE1 3.48Å; Y77-E179 PolarHBondContact OH-OE2 2.94Å
78	A	95.6	Very high	95.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.7	177.4	0	0	0	0	0	113.4	T75 A76 L80 F85 M86 Y148	T75-A78 PolarHBondContact O-N 3.05Å; T75-A78 PolarHBondContact OG1-N 3.4Å; A76-A78 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.5Å; A78-F85 HydrophobicContact CB-CB 4.41Å; A78-F85 HydrophobicContact CB-CD1 3.86Å; A78-F85 CarbonylContact O-C 3.45Å; A78-F85 WeakPolarHBondContact O-CA 3.4Å; A78-M86 HydrophobicContact CB-CG 4.38Å; A78-M86 PolarHBondContact O-N 3.25Å; A78-Y148 HydrophobicContact CB-CE1 3.71Å
79	D	95.6	Very high	95.5	Very high	47 Å²	47	39.6 Å²	39.6	25%	0.251	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	117.6	-171.9	-165.6	-16.6	0	0	0	111.2	K57 T75 A76 G81 F85	K57-D79 HydrophobicContact CD-CB 4.5Å; K57-D79 IonicContact NZ-OD2 3.94Å; K57-D79 PolarHBondContact NZ-OD2 3.21Å; T75-D79 PolarHBondContact O-N 2.97Å; A76-D79 PolarHBondContact O-N 2.96Å; D79-G81 WeakPolarHBondContact OD1-CA 3.29Å; D79-G81 PolarHBondContact OD1-N 3.35Å; D79-F85 HydrophobicContact CB-CD1 4.38Å; D79-F85 HydrophobicContact CB-CE1 3.92Å
80	L	94.2	Very high	95.5	Very high	47 Å²	47	34.5 Å²	34.5	25%	0.246	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	2.3	176.9	-58.4	179.8	0	0	0	112.3	A78 Y84 M86 T93 F114	A78-L80 PolarHBondContact O-N 3.5Å; L80-Y84 WeakPolarHBondContact CB-O 3.25Å; L80-Y84 PolarHBondContact N-O 3Å; L80-M86 HydrophobicContact CD1-CB 4.07Å; L80-M86 HydrophobicContact CD2-CB 4.29Å; L80-M86 HydrophobicContact CD2-CG 4.25Å; L80-M86 HydrophobicContact CD2-SD 4.19Å; L80-M86 HydrophobicContact CG-CB 4.28Å; L80-T93 HydrophobicContact CD1-CG2 3.48Å; L80-T93 VanDerWaalsContact CD1-CG2 3.48Å; L80-F114 HydrophobicContact CD1-CE1 3.84Å; L80-F114 HydrophobicContact CD1-CE2 4.31Å; L80-F114 HydrophobicContact CD1-CZ 3.56Å; L80-F114 HydrophobicContact CD2-CD1 3.86Å; L80-F114 HydrophobicContact CD2-CE1 3.67Å; L80-F114 HydrophobicContact CD2-CG 4.42Å; L80-F114 HydrophobicContact CD2-CZ 4.08Å; L80-F114 HydrophobicContact CG-CE1 4.22Å; L80-F114 HydrophobicContact CG-CZ 4.4Å
81	G	93.3	Very high	95.5	Very high	30 Å²	30	34.9 Å²	34.9	31%	0.309	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.9	165.9	-171.7	0	0	0	0	0	113.4	D79 G83 Y84	D79-G81 WeakPolarHBondContact OD1-CA 3.29Å; D79-G81 PolarHBondContact OD1-N 3.35Å; G81-G83 PolarHBondContact O-N 3.4Å; G81-G83 VanDerWaalsContact O-N 3.11Å; G81-Y84 PolarHBondContact O-N 3.27Å
82	N	93.2	Very high	95.5	Very high	156 Å²	156	34.9 Å²	34.9	83%	0.834	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	30	179.2	-56.7	-41.6	0	0	0	114.5	Y84	N82-Y84 VanDerWaalsContact C-N 3.29Å; N82-Y84 HydrophobicContact CB-CD2 4.37Å; N82-Y84 WeakPolarHBondContact O-CD2 3.21Å; N82-Y84 PolarHBondContact O-N 2.91Å
83	G	94.7	Very high	95.5	Very high	20 Å²	20	35.6 Å²	35.6	21%	0.206	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	6.1	-179.4	0	0	0	0	0	114.9	G81 H95 F96	G81-G83 PolarHBondContact O-N 3.4Å; G81-G83 VanDerWaalsContact O-N 3.11Å; G83-H95 WeakPolarHBondContact O-CA 3.46Å; G83-F96 PolarHBondContact O-N 2.94Å
84	Y	96.6	Very high	95.5	Very high	82 Å²	82	35.6 Å²	35.6	32%	0.322	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.6	176.3	-73.3	-90.8	0	0	0	111.9	L80 G81 N82 F94 H95 D105	L80-Y84 WeakPolarHBondContact CB-O 3.25Å; L80-Y84 PolarHBondContact N-O 3Å; G81-Y84 PolarHBondContact O-N 3.27Å; N82-Y84 VanDerWaalsContact C-N 3.29Å; N82-Y84 HydrophobicContact CB-CD2 4.37Å; N82-Y84 WeakPolarHBondContact O-CD2 3.21Å; N82-Y84 PolarHBondContact O-N 2.91Å; Y84-F94 CarbonylContact C-O 3.51Å; Y84-F94 WeakPolarHBondContact CA-O 3.48Å; Y84-H95 HydrophobicContact CD1-CB 4.28Å; Y84-H95 HydrophobicContact CE1-CB 4.02Å; Y84-D105 HydrophobicContact CE1-CB 4.42Å; Y84-D105 WeakPolarHBondContact CE1-OD2 3.25Å; Y84-D105 PolarHBondContact OH-OD2 2.82Å
85	F	97.1	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.5	176.3	-69.1	-93.4	0	0	0	110.4	K57 I74 A78 D79 T93 F94 F96 H98	K57-F85 HydrophobicContact CD-CE1 4.29Å; K57-F85 HydrophobicContact CD-CZ 4.47Å; K57-F85 HydrophobicContact CG-CE1 4.31Å; K57-F85 HydrophobicContact CG-CZ 4.5Å; I74-F85 HydrophobicContact CD1-CD1 4.37Å; I74-F85 HydrophobicContact CD1-CD2 4.34Å; I74-F85 HydrophobicContact CD1-CG 4.17Å; I74-F85 HydrophobicContact CG2-CD1 4.29Å; I74-F85 HydrophobicContact CG2-CE1 3.74Å; I74-F85 HydrophobicContact CG2-CE2 4.49Å; I74-F85 HydrophobicContact CG2-CZ 3.86Å; A78-F85 HydrophobicContact CB-CB 4.41Å; A78-F85 HydrophobicContact CB-CD1 3.86Å; A78-F85 CarbonylContact O-C 3.45Å; A78-F85 WeakPolarHBondContact O-CA 3.4Å; D79-F85 HydrophobicContact CB-CD1 4.38Å; D79-F85 HydrophobicContact CB-CE1 3.92Å; F85-T93 CarbonylContact O-C 3.56Å; F85-T93 VanDerWaalsContact O-CA 3.26Å; F85-T93 WeakPolarHBondContact O-CA 3.5Å; F85-F94 HydrophobicContact CB-CD1 4.46Å; F85-F94 HydrophobicContact CB-CD2 4.36Å; F85-F94 HydrophobicContact CB-CE1 3.86Å; F85-F94 HydrophobicContact CB-CE2 3.77Å; F85-F94 HydrophobicContact CB-CZ 3.49Å; F85-F94 VanDerWaalsContact CB-CZ 3.49Å; F85-F94 HydrophobicContact CG-CE2 4.46Å; F85-F94 HydrophobicContact CG-CZ 4.44Å; F85-F94 PolarHBondContact N-O 3.39Å; F85-F94 WeakPolarHBondContact O-CD1 3.29Å; F85-F94 PolarHBondContact O-N 2.9Å; F85-F96 HydrophobicContact CD2-CB 3.61Å; F85-F96 HydrophobicContact CE2-CB 3.81Å; F85-F96 HydrophobicContact CE2-CD1 4.35Å; F85-H98 AromaticContact CE2-CE1 3.88Å; F85-H98 AromaticContact CE2-NE2 3.61Å; F85-H98 AromaticContact CZ-CE1 3.54Å; F85-H98 AromaticContact CZ-NE2 3.45Å; F85-H98 WeakPolarHBondContact CZ-NE2 3.46Å
86	M	95.3	Very high	95.5	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.4	172.1	64.4	176.2	-172.9	0	0	112.3	Y77 A78 L80 P88 T93 F109 I117 Y148 L150	Y77-M86 WeakPolarHBondContact O-CE 3.48Å; A78-M86 HydrophobicContact CB-CG 4.38Å; A78-M86 PolarHBondContact O-N 3.25Å; L80-M86 HydrophobicContact CD1-CB 4.07Å; L80-M86 HydrophobicContact CD2-CB 4.29Å; L80-M86 HydrophobicContact CD2-CG 4.25Å; L80-M86 HydrophobicContact CD2-SD 4.19Å; L80-M86 HydrophobicContact CG-CB 4.28Å; M86-P88 HydrophobicContact CE-CG 4.27Å; M86-P88 HydrophobicContact CG-CG 4.43Å; M86-P88 WeakPolarHBondContact O-CD 3.23Å; M86-P88 HydrophobicContact SD-CG 4.44Å; M86-T93 HydrophobicContact CB-CG2 4.49Å; M86-F109 HydrophobicContact CB-CE1 4.18Å; M86-F109 HydrophobicContact CB-CZ 4.09Å; M86-I117 HydrophobicContact CE-CD1 4.4Å; M86-I117 HydrophobicContact CE-CG1 4.37Å; M86-I117 HydrophobicContact SD-CD1 3.51Å; M86-I117 VanDerWaalsContact SD-CD1 3.51Å; M86-I117 HydrophobicContact SD-CG1 4.08Å; M86-Y148 HydrophobicContact CE-CD1 3.72Å; M86-Y148 HydrophobicContact CE-CE1 4.41Å; M86-L150 HydrophobicContact CE-CD2 4.27Å
87	C	95.7	Very high	95.4	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.027	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	94.8	164.9	176.3	0	0	0	0	108.6	L65 R89 S90 Q91 L92 F94	L65-C87 HydrophobicContact CD1-CB 3.74Å; C87-R89 PolarHBondContact O-N 2.86Å; C87-S90 PolarHBondContact O-N 2.9Å; C87-Q91 WeakPolarHBondContact O-CA 3.33Å; C87-Q91 PolarHBondContact O-N 3.44Å; C87-L92 PolarHBondContact N-O 2.92Å; C87-L92 PolarHBondContact O-N 2.9Å; C87-F94 HydrophobicContact CB-CE1 4.22Å
88	P	94.5	Very high	95.4	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.039	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-33.1	-179.7	-28.1	32.6	0	0	0	115.1	M86 K111 E146 Y148	M86-P88 HydrophobicContact CE-CG 4.27Å; M86-P88 HydrophobicContact CG-CG 4.43Å; M86-P88 WeakPolarHBondContact O-CD 3.23Å; M86-P88 HydrophobicContact SD-CG 4.44Å; P88-K111 PolarHBondContact O-NZ 2.94Å; P88-E146 VanDerWaalsContact CD-OE1 3.26Å; P88-E146 WeakPolarHBondContact CD-OE1 3.26Å; P88-Y148 HydrophobicContact CG-CD1 3.59Å; P88-Y148 HydrophobicContact CG-CE1 3.97Å
89	R	94.4	Very high	95.2	Very high	54 Å²	54	38.6 Å²	38.6	20%	0.204	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-57.2	177.6	-175	-178.3	-65.8	-132	4.3	112.1	Y70 C87 E129 T133 V145 E146	Y70-R89 VanDerWaalsContact CG-NH1 3.28Å; C87-R89 PolarHBondContact O-N 2.86Å; R89-E129 WeakPolarHBondContact CB-OE2 3.3Å; R89-E129 IonicContact CZ-OE1 3.46Å; R89-E129 VanDerWaalsContact NE-CD 3.25Å; R89-E129 IonicContact NE-OE1 3.07Å; R89-E129 PolarHBondContact NE-OE1 3.41Å; R89-E129 IonicContact NE-OE2 3.77Å; R89-E129 IonicContact NH2-OE1 3.6Å; R89-E129 PolarHBondContact NH2-OE1 3.23Å; R89-T133 PolarHBondContact NH1-OG1 3.04Å; R89-T133 PolarHBondContact NH2-OG1 2.8Å; R89-V145 PolarHBondContact NH2-O 3.2Å; R89-V145 VanDerWaalsContact NH2-O 3.1Å; R89-E146 PolarHBondContact N-OE1 3.17Å
90	S	93.3	Very high	95.1	Very high	46 Å²	46	43.6 Å²	43.6	32%	0.322	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-4.5	-175.3	-58.3	0	0	0	0	113.4	C68 C87 L92	C68-S90 PolarHBondContact SG-OG 3.37Å; C87-S90 PolarHBondContact O-N 2.9Å; S90-L92 PolarHBondContact O-N 2.84Å
91	Q	93.9	Very high	95	Very high	76 Å²	76	44 Å²	44	36%	0.355	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	41.9	-173.5	-51.9	-169	-9.2	0	0	112.2	C87 S108 F109	C87-Q91 WeakPolarHBondContact O-CA 3.33Å; C87-Q91 PolarHBondContact O-N 3.44Å; Q91-S108 WeakPolarHBondContact O-CA 3.29Å; Q91-F109 VanDerWaalsContact CA-CE1 3.48Å; Q91-F109 HydrophobicContact CB-CE1 4.4Å; Q91-F109 VanDerWaalsContact O-CD1 3.26Å; Q91-F109 WeakPolarHBondContact O-CD1 3.39Å; Q91-F109 PolarHBondContact O-N 2.84Å
92	L	95.6	Very high	95.1	Very high	33 Å²	33	45.8 Å²	45.8	17%	0.173	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.1	178.4	-59.8	175.5	0	0	0	111.2	L65 C87 S90 V106 K107 F109	L65-L92 HydrophobicContact CD1-CB 4.3Å; L65-L92 HydrophobicContact CD1-CD1 4.13Å; C87-L92 PolarHBondContact N-O 2.92Å; C87-L92 PolarHBondContact O-N 2.9Å; S90-L92 PolarHBondContact O-N 2.84Å; L92-V106 HydrophobicContact CB-CG1 4.27Å; L92-V106 HydrophobicContact CD1-CG1 3.89Å; L92-V106 HydrophobicContact CD2-CG1 4.42Å; L92-V106 HydrophobicContact CG-CG1 4.42Å; L92-K107 CarbonylContact C-O 3.58Å; L92-K107 WeakPolarHBondContact CA-O 3.43Å; L92-F109 WeakPolarHBondContact O-CD1 3.48Å; L92-F109 WeakPolarHBondContact O-CE1 3.45Å
93	T	96.2	Very high	95.3	Very high	17 Å²	17	40.4 Å²	40.4	10%	0.104	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	153.3	159.5	52.4	0	0	0	0	109.2	L80 F85 M86 V106 K107 F109 F114	L80-T93 HydrophobicContact CD1-CG2 3.48Å; L80-T93 VanDerWaalsContact CD1-CG2 3.48Å; F85-T93 CarbonylContact O-C 3.56Å; F85-T93 VanDerWaalsContact O-CA 3.26Å; F85-T93 WeakPolarHBondContact O-CA 3.5Å; M86-T93 HydrophobicContact CB-CG2 4.49Å; T93-V106 CarbonylContact O-C 3.55Å; T93-V106 WeakPolarHBondContact O-CA 3.49Å; T93-K107 PolarHBondContact N-O 2.79Å; T93-K107 PolarHBondContact O-N 3.46Å; T93-F109 HydrophobicContact CG2-CB 3.68Å; T93-F109 HydrophobicContact CG2-CD1 3.72Å; T93-F109 HydrophobicContact CG2-CE1 4.46Å; T93-F109 HydrophobicContact CG2-CG 3.78Å; T93-F114 HydrophobicContact CG2-CZ 4.41Å
94	F	97.4	Very high	95.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.7	179.7	60.3	-83.9	0	0	0	110	L65 T72 I74 Y84 F85 C87 F96 V103 V106	L65-F94 HydrophobicContact CD1-CD1 3.81Å; L65-F94 HydrophobicContact CD1-CE1 4Å; L65-F94 HydrophobicContact CD2-CB 4.14Å; L65-F94 HydrophobicContact CD2-CD1 3.7Å; L65-F94 HydrophobicContact CD2-CD2 3.93Å; L65-F94 HydrophobicContact CD2-CE1 4.03Å; L65-F94 HydrophobicContact CD2-CE2 4.22Å; L65-F94 HydrophobicContact CD2-CG 3.65Å; L65-F94 HydrophobicContact CD2-CZ 4.26Å; L65-F94 HydrophobicContact CG-CD1 4.4Å; T72-F94 HydrophobicContact CG2-CE1 3.86Å; T72-F94 HydrophobicContact CG2-CZ 3.65Å; I74-F94 HydrophobicContact CD1-CE2 3.71Å; I74-F94 HydrophobicContact CD1-CZ 3.9Å; Y84-F94 CarbonylContact C-O 3.51Å; Y84-F94 WeakPolarHBondContact CA-O 3.48Å; F85-F94 HydrophobicContact CB-CD1 4.46Å; F85-F94 HydrophobicContact CB-CD2 4.36Å; F85-F94 HydrophobicContact CB-CE1 3.86Å; F85-F94 HydrophobicContact CB-CE2 3.77Å; F85-F94 HydrophobicContact CB-CZ 3.49Å; F85-F94 VanDerWaalsContact CB-CZ 3.49Å; F85-F94 HydrophobicContact CG-CE2 4.46Å; F85-F94 HydrophobicContact CG-CZ 4.44Å; F85-F94 PolarHBondContact N-O 3.39Å; F85-F94 WeakPolarHBondContact O-CD1 3.29Å; F85-F94 PolarHBondContact O-N 2.9Å; C87-F94 HydrophobicContact CB-CE1 4.22Å; F94-F96 HydrophobicContact CD2-CB 4.36Å; F94-F96 HydrophobicContact CE2-CB 4.16Å; F94-V103 HydrophobicContact CB-CG1 3.96Å; F94-V103 HydrophobicContact CD2-CG1 4.06Å; F94-V103 HydrophobicContact CD2-CG2 4.18Å; F94-V103 HydrophobicContact CE2-CG2 4.47Å; F94-V103 HydrophobicContact CG-CG1 4.3Å; F94-V106 HydrophobicContact CB-CB 4.5Å; F94-V106 HydrophobicContact CB-CG2 3.93Å
95	H	97.7	Very high	95.4	Very high	56 Å²	56	41.1 Å²	41.1	26%	0.259	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.4	169.6	177.2	-82.8	0	0	0	109.4	G83 Y84 V103 S104 D105	G83-H95 WeakPolarHBondContact O-CA 3.46Å; Y84-H95 HydrophobicContact CD1-CB 4.28Å; Y84-H95 HydrophobicContact CE1-CB 4.02Å; H95-V103 WeakPolarHBondContact O-CA 3.26Å; H95-S104 PolarHBondContact N-O 3.43Å; H95-S104 PolarHBondContact ND1-OG 2.74Å; H95-S104 PolarHBondContact O-N 3.32Å; H95-D105 HydrophobicContact CB-CB 4.21Å
96	F	97.8	Very high	95.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.1	176.5	-174.2	-109.2	0	0	0	110.7	N56 V63 I74 G83 F85 F94 H98 Q101 V103	N56-F96 HydrophobicContact CB-CE1 4.38Å; V63-F96 HydrophobicContact CG1-CE2 4.45Å; V63-F96 HydrophobicContact CG2-CD2 4.14Å; V63-F96 HydrophobicContact CG2-CE2 3.53Å; V63-F96 HydrophobicContact CG2-CZ 4.1Å; I74-F96 HydrophobicContact CD1-CB 4.12Å; I74-F96 HydrophobicContact CD1-CD1 3.9Å; I74-F96 HydrophobicContact CD1-CD2 3.89Å; I74-F96 HydrophobicContact CD1-CE1 4.26Å; I74-F96 HydrophobicContact CD1-CE2 4.27Å; I74-F96 HydrophobicContact CD1-CG 3.69Å; I74-F96 HydrophobicContact CD1-CZ 4.42Å; I74-F96 HydrophobicContact CG1-CD1 4Å; I74-F96 HydrophobicContact CG1-CD2 4.3Å; I74-F96 HydrophobicContact CG1-CE1 3.86Å; I74-F96 HydrophobicContact CG1-CE2 4.18Å; I74-F96 HydrophobicContact CG1-CG 4.21Å; I74-F96 HydrophobicContact CG1-CZ 3.94Å; I74-F96 HydrophobicContact CG2-CD1 4.23Å; I74-F96 HydrophobicContact CG2-CE1 4.25Å; G83-F96 PolarHBondContact O-N 2.94Å; F85-F96 HydrophobicContact CD2-CB 3.61Å; F85-F96 HydrophobicContact CE2-CB 3.81Å; F85-F96 HydrophobicContact CE2-CD1 4.35Å; F94-F96 HydrophobicContact CD2-CB 4.36Å; F94-F96 HydrophobicContact CE2-CB 4.16Å; F96-H98 AromaticContact CD1-CE1 3.69Å; F96-H98 AromaticContact CD1-CG 3.94Å; F96-H98 AromaticContact CD1-ND1 3.43Å; F96-H98 WeakPolarHBondContact CD1-ND1 3.26Å; F96-H98 AromaticContact CE1-ND1 3.45Å; F96-H98 WeakPolarHBondContact CE1-ND1 3.48Å; F96-H98 PolarHBondContact O-N 2.86Å; F96-Q101 HydrophobicContact CE2-CB 4.44Å; F96-Q101 HydrophobicContact CZ-CB 3.99Å; F96-Q101 HydrophobicContact CZ-CG 4.21Å; F96-V103 HydrophobicContact CD2-CG2 4.33Å
97	D	96.1	Very high	95.4	Very high	40 Å²	40	48.5 Å²	48.5	21%	0.214	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	103.9	171.3	-177	-30.8	0	0	0	108.5	L99 K100 Q101 T102	D97-L99 VanDerWaalsContact C-N 3.26Å; D97-L99 PolarHBondContact O-N 3.06Å; D97-L99 WeakPolarHBondContact OD1-CB 3.16Å; D97-L99 PolarHBondContact OD1-N 3.29Å; D97-K100 HydrophobicContact CB-CB 4.3Å; D97-K100 PolarHBondContact O-N 3.11Å; D97-K100 PolarHBondContact OD1-N 2.67Å; D97-K100 VanDerWaalsContact OD2-CD 3.32Å; D97-K100 WeakPolarHBondContact OD2-CD 3.46Å; D97-K100 IonicContact OD2-NZ 3.16Å; D97-Q101 WeakPolarHBondContact O-CA 3.26Å; D97-Q101 PolarHBondContact O-N 3.1Å; D97-T102 PolarHBondContact N-O 2.88Å; D97-T102 PolarHBondContact O-N 2.62Å
98	H	95.6	Very high	95.3	Very high	28 Å²	28	53.1 Å²	53.1	13%	0.13	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.9	-178	-76.3	-69.2	0	0	0	114.2	V52 A53 N56 F85 F96	V52-H98 HydrophobicContact CG1-CB 3.95Å; V52-H98 WeakPolarHBondContact CG1-O 3.32Å; A53-H98 HydrophobicContact CB-CB 4.31Å; A53-H98 VanDerWaalsContact CB-CD2 3.45Å; A53-H98 WeakPolarHBondContact CB-CD2 3.44Å; N56-H98 WeakPolarHBondContact ND2-CA 3.45Å; N56-H98 WeakPolarHBondContact ND2-CB 3.15Å; N56-H98 PolarHBondContact ND2-ND1 2.88Å; N56-H98 VanDerWaalsContact ND2-ND1 3.16Å; N56-H98 PolarHBondContact ND2-O 2.81Å; F85-H98 AromaticContact CE2-CE1 3.88Å; F85-H98 AromaticContact CE2-NE2 3.61Å; F85-H98 AromaticContact CZ-CE1 3.54Å; F85-H98 AromaticContact CZ-NE2 3.45Å; F85-H98 WeakPolarHBondContact CZ-NE2 3.46Å; F96-H98 AromaticContact CD1-CE1 3.69Å; F96-H98 AromaticContact CD1-CG 3.94Å; F96-H98 AromaticContact CD1-ND1 3.43Å; F96-H98 WeakPolarHBondContact CD1-ND1 3.26Å; F96-H98 AromaticContact CE1-ND1 3.45Å; F96-H98 WeakPolarHBondContact CE1-ND1 3.48Å; F96-H98 PolarHBondContact O-N 2.86Å
99	L	92.1	Very high	95.1	Very high	65 Å²	65	53.9 Å²	53.9	34%	0.34	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-40.1	-178.8	-69.8	171.5	0	0	0	111.4	L31 V52 D97	L31-L99 HydrophobicContact CD2-CD2 4.49Å; V52-L99 HydrophobicContact CB-CD2 4.21Å; V52-L99 HydrophobicContact CG1-CD2 3.93Å; V52-L99 HydrophobicContact CG2-CD2 3.97Å; D97-L99 VanDerWaalsContact C-N 3.26Å; D97-L99 PolarHBondContact O-N 3.06Å; D97-L99 WeakPolarHBondContact OD1-CB 3.16Å; D97-L99 PolarHBondContact OD1-N 3.29Å
100	K	91.5	Very high	94.8	Very high	152 Å²	152	55.8 Å²	55.8	66%	0.661	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.5	178.3	-62.3	-179.7	-170.2	157	0	113.2	D97 T102	D97-K100 HydrophobicContact CB-CB 4.3Å; D97-K100 PolarHBondContact O-N 3.11Å; D97-K100 PolarHBondContact OD1-N 2.67Å; D97-K100 VanDerWaalsContact OD2-CD 3.32Å; D97-K100 WeakPolarHBondContact OD2-CD 3.46Å; D97-K100 IonicContact OD2-NZ 3.16Å; K100-T102 VanDerWaalsContact C-N 3.27Å; K100-T102 HydrophobicContact CB-CG2 4Å; K100-T102 PolarHBondContact O-N 3.37Å
101	Q	93.7	Very high	94.4	Very high	56 Å²	56	54.3 Å²	54.3	26%	0.262	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	44	-170.3	-62.5	-179.9	-28.2	0	0	112.4	N56 F96 D97	N56-Q101 PolarHBondContact OD1-NE2 2.96Å; F96-Q101 HydrophobicContact CE2-CB 4.44Å; F96-Q101 HydrophobicContact CZ-CB 3.99Å; F96-Q101 HydrophobicContact CZ-CG 4.21Å; D97-Q101 WeakPolarHBondContact O-CA 3.26Å; D97-Q101 PolarHBondContact O-N 3.1Å
102	T	94.9	Very high	93.9	Very high	67 Å²	67	54.7 Å²	54.7	41%	0.411	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148	-177.6	56	0	0	0	0	112.9	D97 K100	D97-T102 PolarHBondContact N-O 2.88Å; D97-T102 PolarHBondContact O-N 2.62Å; K100-T102 VanDerWaalsContact C-N 3.27Å; K100-T102 HydrophobicContact CB-CG2 4Å; K100-T102 PolarHBondContact O-N 3.37Å
103	V	97	Very high	93.3	Very high	43 Å²	43	57 Å²	57	26%	0.261	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.6	176.4	177.2	0	0	0	0	111.6	V63 L65 F94 H95 F96 V106	V63-V103 HydrophobicContact CB-CG2 4.46Å; V63-V103 HydrophobicContact CG1-CB 4.47Å; V63-V103 HydrophobicContact CG1-CG2 3.01Å; L65-V103 HydrophobicContact CD2-CG1 3.74Å; L65-V103 HydrophobicContact CD2-CG2 4.04Å; F94-V103 HydrophobicContact CB-CG1 3.96Å; F94-V103 HydrophobicContact CD2-CG1 4.06Å; F94-V103 HydrophobicContact CD2-CG2 4.18Å; F94-V103 HydrophobicContact CE2-CG2 4.47Å; F94-V103 HydrophobicContact CG-CG1 4.3Å; H95-V103 WeakPolarHBondContact O-CA 3.26Å; F96-V103 HydrophobicContact CD2-CG2 4.33Å; V103-V106 HydrophobicContact CG1-CG2 3.51Å
104	S	97.2	Very high	92.9	Very high	56 Å²	56	58.8 Å²	58.8	39%	0.392	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	174.6	168.7	58.9	0	0	0	0	111.2	H95 V106	H95-S104 PolarHBondContact N-O 3.43Å; H95-S104 PolarHBondContact ND1-OG 2.74Å; H95-S104 PolarHBondContact O-N 3.32Å; S104-V106 PolarHBondContact O-N 3.43Å
105	D	96.3	Very high	92.4	Very high	61 Å²	61	66.4 Å²	66.4	33%	0.326	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.4	46.2	172.5	-159.5	42.7	0	0	0	115.6	Y84 H95 K107	Y84-D105 HydrophobicContact CE1-CB 4.42Å; Y84-D105 WeakPolarHBondContact CE1-OD2 3.25Å; Y84-D105 PolarHBondContact OH-OD2 2.82Å; H95-D105 HydrophobicContact CB-CB 4.21Å; D105-K107 PolarHBondContact O-N 3.05Å; D105-K107 WeakPolarHBondContact OD1-CE 3.3Å; D105-K107 IonicContact OD1-NZ 2.74Å; D105-K107 PolarHBondContact OD1-NZ 2.81Å; D105-K107 WeakPolarHBondContact OD2-CE 3.33Å; D105-K107 IonicContact OD2-NZ 3.75Å; D105-K107 PolarHBondContact OD2-NZ 3.21Å
106	V	96.9	Very high	92	Very high	50 Å²	50	66.5 Å²	66.5	30%	0.303	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	121	-179.2	-173.2	0	0	0	0	110.4	P66 L92 T93 F94 V103 S104	P66-V106 HydrophobicContact CG-CG2 4.25Å; L92-V106 HydrophobicContact CB-CG1 4.27Å; L92-V106 HydrophobicContact CD1-CG1 3.89Å; L92-V106 HydrophobicContact CD2-CG1 4.42Å; L92-V106 HydrophobicContact CG-CG1 4.42Å; T93-V106 CarbonylContact O-C 3.55Å; T93-V106 WeakPolarHBondContact O-CA 3.49Å; F94-V106 HydrophobicContact CB-CB 4.5Å; F94-V106 HydrophobicContact CB-CG2 3.93Å; V103-V106 HydrophobicContact CG1-CG2 3.51Å; S104-V106 PolarHBondContact O-N 3.43Å
107	K	95.3	Very high	91.7	Very high	106 Å²	106	67.3 Å²	67.3	46%	0.461	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.2	-176	-70.2	168.8	176.7	154.6	0	110.4	L92 T93 D105	L92-K107 CarbonylContact C-O 3.58Å; L92-K107 WeakPolarHBondContact CA-O 3.43Å; T93-K107 PolarHBondContact N-O 2.79Å; T93-K107 PolarHBondContact O-N 3.46Å; D105-K107 PolarHBondContact O-N 3.05Å; D105-K107 WeakPolarHBondContact OD1-CE 3.3Å; D105-K107 IonicContact OD1-NZ 2.74Å; D105-K107 PolarHBondContact OD1-NZ 2.81Å; D105-K107 WeakPolarHBondContact OD2-CE 3.33Å; D105-K107 IonicContact OD2-NZ 3.75Å; D105-K107 PolarHBondContact OD2-NZ 3.21Å
108	S	94.1	Very high	91.5	Very high	102 Å²	102	65.4 Å²	65.4	71%	0.713	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	145.2	167.6	56.2	0	0	0	0	110.4	Q91	Q91-S108 WeakPolarHBondContact O-CA 3.29Å
109	F	91	Very high	91.4	Very high	21 Å²	21	67.1 Å²	67.1	9%	0.092	38%	0.375	C	S	.	.			trans	-125.7	154.7	172.4	79.3	-82.7	0	0	0	112.1	M86 Q91 L92 T93 K111 F114 I117	M86-F109 HydrophobicContact CB-CE1 4.18Å; M86-F109 HydrophobicContact CB-CZ 4.09Å; Q91-F109 VanDerWaalsContact CA-CE1 3.48Å; Q91-F109 HydrophobicContact CB-CE1 4.4Å; Q91-F109 VanDerWaalsContact O-CD1 3.26Å; Q91-F109 WeakPolarHBondContact O-CD1 3.39Å; Q91-F109 PolarHBondContact O-N 2.84Å; L92-F109 WeakPolarHBondContact O-CD1 3.48Å; L92-F109 WeakPolarHBondContact O-CE1 3.45Å; T93-F109 HydrophobicContact CG2-CB 3.68Å; T93-F109 HydrophobicContact CG2-CD1 3.72Å; T93-F109 HydrophobicContact CG2-CE1 4.46Å; T93-F109 HydrophobicContact CG2-CG 3.78Å; F109-K111 HydrophobicContact CD2-CG 4.44Å; F109-K111 HydrophobicContact CE2-CB 4.33Å; F109-K111 HydrophobicContact CE2-CG 3.69Å; F109-K111 HydrophobicContact CZ-CG 4.15Å; F109-F114 HydrophobicContact CB-CE2 4.19Å; F109-F114 AromaticContact CD2-CD2 3.75Å; F109-F114 HydrophobicContact CD2-CD2 3.75Å; F109-F114 AromaticContact CD2-CE2 3.44Å; F109-F114 HydrophobicContact CD2-CE2 3.44Å; F109-F114 VanDerWaalsContact CD2-CE2 3.44Å; F109-F114 HydrophobicContact CE2-CD2 4.02Å; F109-F114 HydrophobicContact CE2-CE2 4.06Å; F109-F114 HydrophobicContact CG-CE2 4.06Å; F109-I117 HydrophobicContact CE2-CD1 3.82Å; F109-I117 HydrophobicContact CZ-CD1 4.47Å
110	D	87.6	Confident	91.4	Very high	95 Å²	95	69 Å²	69	51%	0.508	39%	0.386	S	S	.	.			trans	-95.4	124.5	168.7	178.7	20	0	0	0	109.7	S112 S113	D110-S112 PolarHBondContact O-N 3.41Å; D110-S112 PolarHBondContact OD1-N 2.77Å; D110-S112 PolarHBondContact OD1-OG 3.39Å; D110-S112 PolarHBondContact OD2-OG 2.77Å; D110-S113 WeakPolarHBondContact O-CB 3.41Å; D110-S113 PolarHBondContact O-N 3.29Å; D110-S113 PolarHBondContact O-OG 3.32Å
111	K	84.7	Confident	91.5	Very high	15 Å²	15	61.8 Å²	61.8	7%	0.065	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-58.9	-32.6	-177.5	-65.9	-175.2	-178.2	-163.5	0	112.3	P88 F109 S113 F114 I117 E122	P88-K111 PolarHBondContact O-NZ 2.94Å; F109-K111 HydrophobicContact CD2-CG 4.44Å; F109-K111 HydrophobicContact CE2-CB 4.33Å; F109-K111 HydrophobicContact CE2-CG 3.69Å; F109-K111 HydrophobicContact CZ-CG 4.15Å; K111-S113 PolarHBondContact O-N 3.27Å; K111-S113 VanDerWaalsContact O-N 3.15Å; K111-F114 PolarHBondContact O-N 3.28Å; K111-I117 HydrophobicContact CB-CG2 4.18Å; K111-E122 IonicContact NZ-OE1 2.84Å; K111-E122 PolarHBondContact NZ-OE1 2.87Å; K111-E122 IonicContact NZ-OE2 3.72Å; K111-E122 PolarHBondContact NZ-OE2 2.89Å
112	S	82.4	Confident	91.6	Very high	84 Å²	84	60 Å²	60	59%	0.587	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-68.7	-5.4	175.4	32.1	0	0	0	0	114.6	D110 F114	D110-S112 PolarHBondContact O-N 3.41Å; D110-S112 PolarHBondContact OD1-N 2.77Å; D110-S112 PolarHBondContact OD1-OG 3.39Å; D110-S112 PolarHBondContact OD2-OG 2.77Å; S112-F114 PolarHBondContact O-N 3.26Å
113	S	84.8	Confident	91.6	Very high	81 Å²	81	59.8 Å²	59.8	57%	0.566	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-77.1	-8.6	174.3	-50.3	0	0	0	0	113.1	D110 K111	D110-S113 WeakPolarHBondContact O-CB 3.41Å; D110-S113 PolarHBondContact O-N 3.29Å; D110-S113 PolarHBondContact O-OG 3.32Å; K111-S113 PolarHBondContact O-N 3.27Å; K111-S113 VanDerWaalsContact O-N 3.15Å
114	F	87.2	Confident	91.6	Very high	54 Å²	54	58.3 Å²	58.3	24%	0.237	34%	0.337	C	S	.	.			trans	-126.1	114.7	-172.8	-62.7	-74.3	0	0	0	111.2	L80 T93 F109 K111 S112 N116 I117	L80-F114 HydrophobicContact CD1-CE1 3.84Å; L80-F114 HydrophobicContact CD1-CE2 4.31Å; L80-F114 HydrophobicContact CD1-CZ 3.56Å; L80-F114 HydrophobicContact CD2-CD1 3.86Å; L80-F114 HydrophobicContact CD2-CE1 3.67Å; L80-F114 HydrophobicContact CD2-CG 4.42Å; L80-F114 HydrophobicContact CD2-CZ 4.08Å; L80-F114 HydrophobicContact CG-CE1 4.22Å; L80-F114 HydrophobicContact CG-CZ 4.4Å; T93-F114 HydrophobicContact CG2-CZ 4.41Å; F109-F114 HydrophobicContact CB-CE2 4.19Å; F109-F114 AromaticContact CD2-CD2 3.75Å; F109-F114 HydrophobicContact CD2-CD2 3.75Å; F109-F114 AromaticContact CD2-CE2 3.44Å; F109-F114 HydrophobicContact CD2-CE2 3.44Å; F109-F114 VanDerWaalsContact CD2-CE2 3.44Å; F109-F114 HydrophobicContact CE2-CD2 4.02Å; F109-F114 HydrophobicContact CE2-CE2 4.06Å; F109-F114 HydrophobicContact CG-CE2 4.06Å; K111-F114 PolarHBondContact O-N 3.28Å; S112-F114 PolarHBondContact O-N 3.26Å; F114-N116 PolarHBondContact O-N 3.44Å; F114-I117 HydrophobicContact CB-CB 4.35Å; F114-I117 HydrophobicContact CB-CD1 3.62Å; F114-I117 HydrophobicContact CB-CG1 3.73Å; F114-I117 HydrophobicContact CD2-CD1 3.79Å; F114-I117 HydrophobicContact CG-CD1 4Å; F114-I117 PolarHBondContact O-N 2.91Å; F114-I117 VanDerWaalsContact O-N 3.11Å
115	D	85.7	Confident	91.7	Very high	160 Å²	160	55.8 Å²	55.8	86%	0.856	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.5	-176.6	-66.9	-29.5	0	0	0	113.5	I117	D115-I117 VanDerWaalsContact C-N 3.31Å
116	N	89.3	Confident	91.7	Very high	59 Å²	59	58.6 Å²	58.6	32%	0.316	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.5	179.6	67.4	-38.9	0	0	0	113.5	F114 L150 R151	F114-N116 PolarHBondContact O-N 3.44Å; N116-L150 CarbonylContact O-C 3.58Å; N116-L150 VanDerWaalsContact O-CA 3.3Å; N116-L150 WeakPolarHBondContact O-CA 3.38Å; N116-R151 WeakPolarHBondContact CA-O 3.47Å; N116-R151 PolarHBondContact O-N 3.02Å
117	I	92.3	Very high	91.8	Very high	18 Å²	18	56.7 Å²	56.7	9%	0.092	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-93.1	126.1	177.5	-60.2	-178.6	0	0	0	109.8	M86 F109 K111 F114 D115 C119 A149	M86-I117 HydrophobicContact CE-CD1 4.4Å; M86-I117 HydrophobicContact CE-CG1 4.37Å; M86-I117 HydrophobicContact SD-CD1 3.51Å; M86-I117 VanDerWaalsContact SD-CD1 3.51Å; M86-I117 HydrophobicContact SD-CG1 4.08Å; F109-I117 HydrophobicContact CE2-CD1 3.82Å; F109-I117 HydrophobicContact CZ-CD1 4.47Å; K111-I117 HydrophobicContact CB-CG2 4.18Å; F114-I117 HydrophobicContact CB-CB 4.35Å; F114-I117 HydrophobicContact CB-CD1 3.62Å; F114-I117 HydrophobicContact CB-CG1 3.73Å; F114-I117 HydrophobicContact CD2-CD1 3.79Å; F114-I117 HydrophobicContact CG-CD1 4Å; F114-I117 PolarHBondContact O-N 2.91Å; F114-I117 VanDerWaalsContact O-N 3.11Å; D115-I117 VanDerWaalsContact C-N 3.31Å; I117-C119 PolarHBondContact O-N 3.36Å; I117-A149 WeakPolarHBondContact CA-O 3.42Å
118	D	93	Very high	91.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.292	C	S	.	.			trans	-88.9	95.5	177.3	-162.3	-59.2	0	0	0	112	D120 L121 A149 R151 R157	D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 2.76Å; D118-D120 PolarHBondContact OD1-N 3.11Å; D118-D120 VanDerWaalsContact OD1-N 3.09Å; D118-L121 HydrophobicContact CB-CB 4.22Å; D118-L121 HydrophobicContact CB-CD1 4.3Å; D118-L121 HydrophobicContact CB-CG 4.31Å; D118-L121 PolarHBondContact O-N 3.02Å; D118-L121 PolarHBondContact OD1-N 2.84Å; D118-L121 VanDerWaalsContact OD1-N 3.08Å; D118-A149 HydrophobicContact CB-CB 4.43Å; D118-A149 PolarHBondContact N-O 2.97Å; D118-R151 HydrophobicContact CB-CB 4.19Å; D118-R151 IonicContact OD1-NH2 3.54Å; D118-R151 IonicContact OD2-CZ 3.36Å; D118-R151 IonicContact OD2-NE 2.99Å; D118-R151 PolarHBondContact OD2-NE 2.78Å; D118-R151 IonicContact OD2-NH2 2.85Å; D118-R151 PolarHBondContact OD2-NH2 3.06Å; D118-R157 IonicContact OD1-CZ 3.57Å; D118-R157 IonicContact OD1-NE 3.6Å; D118-R157 IonicContact OD1-NH2 2.7Å; D118-R157 PolarHBondContact OD1-NH2 2.9Å; D118-R157 WeakPolarHBondContact OD2-CG 3.36Å; D118-R157 IonicContact OD2-CZ 3.39Å; D118-R157 IonicContact OD2-NE 2.7Å; D118-R157 PolarHBondContact OD2-NE 3.24Å; D118-R157 IonicContact OD2-NH2 3.3Å; D118-R157 PolarHBondContact OD2-NH2 3.28Å
119	C	92.9	Very high	92.1	Very high	64 Å²	64	46.9 Å²	46.9	43%	0.432	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-63.2	-29.9	179.8	-69.4	0	0	0	0	114	I117 L121 E122	I117-C119 PolarHBondContact O-N 3.36Å; C119-L121 VanDerWaalsContact C-N 3.29Å; C119-L121 PolarHBondContact O-N 3.45Å; C119-E122 VanDerWaalsContact O-CB 3.29Å; C119-E122 WeakPolarHBondContact O-CB 3.27Å; C119-E122 PolarHBondContact O-N 2.65Å
120	D	91.9	Very high	92.5	Very high	106 Å²	106	50.8 Å²	50.8	57%	0.567	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-77.3	-18.4	180	-17.6	-64.1	0	0	0	112.5	D118 R151 R157	D118-D120 VanDerWaalsContact C-N 3.31Å; D118-D120 PolarHBondContact O-N 2.76Å; D118-D120 PolarHBondContact OD1-N 3.11Å; D118-D120 VanDerWaalsContact OD1-N 3.09Å; D120-R151 IonicContact OD2-NH2 3.19Å; D120-R151 PolarHBondContact OD2-NH2 3.49Å; D120-R157 IonicContact OD2-CZ 3.47Å; D120-R157 IonicContact OD2-NH1 3.69Å; D120-R157 IonicContact OD2-NH2 2.75Å; D120-R157 PolarHBondContact OD2-NH2 2.93Å
121	L	94	Very high	93	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-85.9	-1.4	172.3	-69.8	-173.1	0	0	0	113.9	D118 C119 S123 W124 R125 A149 R157 L159 F192	D118-L121 HydrophobicContact CB-CB 4.22Å; D118-L121 HydrophobicContact CB-CD1 4.3Å; D118-L121 HydrophobicContact CB-CG 4.31Å; D118-L121 PolarHBondContact O-N 3.02Å; D118-L121 PolarHBondContact OD1-N 2.84Å; D118-L121 VanDerWaalsContact OD1-N 3.08Å; C119-L121 VanDerWaalsContact C-N 3.29Å; C119-L121 PolarHBondContact O-N 3.45Å; L121-S123 VanDerWaalsContact C-N 3.28Å; L121-S123 PolarHBondContact O-N 3.35Å; L121-W124 HydrophobicContact CD2-CG 4.43Å; L121-W124 WeakPolarHBondContact O-CA 3.39Å; L121-W124 WeakPolarHBondContact O-CB 3.47Å; L121-W124 PolarHBondContact O-N 2.92Å; L121-R125 PolarHBondContact O-N 3.18Å; L121-A149 HydrophobicContact CB-CB 4.04Å; L121-R157 HydrophobicContact CD1-CB 4.02Å; L121-L159 HydrophobicContact CB-CD2 3.98Å; L121-L159 HydrophobicContact CD1-CD2 4.22Å; L121-L159 HydrophobicContact CD1-CG 4.49Å; L121-F192 HydrophobicContact CD2-CZ 4.14Å
122	E	94.9	Very high	93.7	Very high	18 Å²	18	47.2 Å²	47.2	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-36.4	-175.4	173.4	61.1	178.8	0	0	113.5	K111 C119 W124 R125 R126	K111-E122 IonicContact NZ-OE1 2.84Å; K111-E122 PolarHBondContact NZ-OE1 2.87Å; K111-E122 IonicContact NZ-OE2 3.72Å; K111-E122 PolarHBondContact NZ-OE2 2.89Å; C119-E122 VanDerWaalsContact O-CB 3.29Å; C119-E122 WeakPolarHBondContact O-CB 3.27Å; C119-E122 PolarHBondContact O-N 2.65Å; E122-W124 VanDerWaalsContact C-N 3.3Å; E122-W124 PolarHBondContact O-N 3.49Å; E122-R125 PolarHBondContact O-N 3.25Å; E122-R125 IonicContact OE1-NE 3.95Å; E122-R125 IonicContact OE1-NH2 3.81Å; E122-R125 WeakPolarHBondContact OE2-CD 3.32Å; E122-R125 IonicContact OE2-CZ 2.68Å; E122-R125 IonicContact OE2-NE 2.82Å; E122-R125 PolarHBondContact OE2-NE 2.93Å; E122-R126 WeakPolarHBondContact O-CG 3.09Å; E122-R126 PolarHBondContact O-N 3.38Å; E122-R126 IonicContact OE1-CZ 3.75Å; E122-R126 IonicContact OE1-NE 3.98Å; E122-R126 PolarHBondContact OE1-NE 3.26Å; E122-R126 IonicContact OE1-NH2 3.93Å; E122-R126 PolarHBondContact OE1-NH2 2.99Å
123	S	96	Very high	94.4	Very high	62 Å²	62	43.7 Å²	43.7	43%	0.434	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-33.3	176.9	61.8	0	0	0	0	112.6	L121 A127	L121-S123 VanDerWaalsContact C-N 3.28Å; L121-S123 PolarHBondContact O-N 3.35Å; S123-A127 WeakPolarHBondContact O-CB 3.42Å; S123-A127 PolarHBondContact O-N 3.43Å
124	W	96.9	Very high	95	Very high	12 Å²	12	43.8 Å²	43.8	5%	0.045	24%	0.237	C	C	.	.	H	α-helix	trans	-74.8	-44.3	175.6	-60	77.3	0	0	0	111.2	L121 E122 R126 A127 L128 L159 M190 F192 E224 P227 F230	L121-W124 HydrophobicContact CD2-CG 4.43Å; L121-W124 WeakPolarHBondContact O-CA 3.39Å; L121-W124 WeakPolarHBondContact O-CB 3.47Å; L121-W124 PolarHBondContact O-N 2.92Å; E122-W124 VanDerWaalsContact C-N 3.3Å; E122-W124 PolarHBondContact O-N 3.49Å; W124-R126 PolarHBondContact O-N 3.46Å; W124-A127 PolarHBondContact O-N 2.92Å; W124-L128 VanDerWaalsContact O-CB 3.3Å; W124-L128 WeakPolarHBondContact O-CB 3.15Å; W124-L128 PolarHBondContact O-N 3.12Å; W124-L159 HydrophobicContact CB-CD1 3.83Å; W124-M190 HydrophobicContact CH2-CB 3.51Å; W124-M190 HydrophobicContact CH2-CG 3.76Å; W124-M190 HydrophobicContact CH2-SD 4.34Å; W124-M190 HydrophobicContact CZ2-CB 3.85Å; W124-M190 HydrophobicContact CZ2-CE 4.39Å; W124-M190 HydrophobicContact CZ2-CG 3.52Å; W124-M190 HydrophobicContact CZ2-SD 3.8Å; W124-M190 HydrophobicContact CZ3-CB 4.27Å; W124-F192 HydrophobicContact CD2-CE2 4.28Å; W124-F192 HydrophobicContact CD2-CZ 4.4Å; W124-F192 AromaticContact CE3-CE2 3.69Å; W124-F192 HydrophobicContact CE3-CE2 3.69Å; W124-F192 HydrophobicContact CE3-CZ 4.17Å; W124-F192 AromaticContact CZ3-CE2 3.84Å; W124-F192 HydrophobicContact CZ3-CE2 3.84Å; W124-E224 WeakPolarHBondContact CH2-O 3.48Å; W124-P227 HydrophobicContact CD2-CB 4.28Å; W124-P227 HydrophobicContact CD2-CG 4.03Å; W124-P227 HydrophobicContact CG-CB 4.43Å; W124-P227 HydrophobicContact CG-CG 4.26Å; W124-P227 HydrophobicContact CZ2-CG 4.1Å; W124-F230 HydrophobicContact CE3-CB 3.95Å; W124-F230 AromaticContact CE3-CD1 3.53Å; W124-F230 HydrophobicContact CE3-CD1 3.53Å; W124-F230 HydrophobicContact CE3-CD2 4.19Å; W124-F230 HydrophobicContact CE3-CE1 4.05Å; W124-F230 AromaticContact CE3-CG 3.6Å; W124-F230 HydrophobicContact CE3-CG 3.6Å; W124-F230 HydrophobicContact CZ3-CB 3.49Å; W124-F230 VanDerWaalsContact CZ3-CB 3.49Å; W124-F230 AromaticContact CZ3-CD1 3.94Å; W124-F230 HydrophobicContact CZ3-CD1 3.94Å; W124-F230 AromaticContact CZ3-CD2 3.87Å; W124-F230 HydrophobicContact CZ3-CD2 3.87Å; W124-F230 AromaticContact CZ3-CG 3.47Å; W124-F230 HydrophobicContact CZ3-CG 3.47Å; W124-F230 VanDerWaalsContact CZ3-CG 3.47Å
125	R	97.5	Very high	95.6	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-54.3	-51.5	174.6	-166.6	-149.3	71	70.6	8.3	111.6	L121 E122 L128 E129 V147 A149 L159	L121-R125 PolarHBondContact O-N 3.18Å; E122-R125 PolarHBondContact O-N 3.25Å; E122-R125 IonicContact OE1-NE 3.95Å; E122-R125 IonicContact OE1-NH2 3.81Å; E122-R125 WeakPolarHBondContact OE2-CD 3.32Å; E122-R125 IonicContact OE2-CZ 2.68Å; E122-R125 IonicContact OE2-NE 2.82Å; E122-R125 PolarHBondContact OE2-NE 2.93Å; R125-L128 PolarHBondContact O-N 2.84Å; R125-E129 IonicContact CZ-OE2 3.44Å; R125-E129 VanDerWaalsContact CZ-OE2 3.26Å; R125-E129 VanDerWaalsContact NH1-CD 3.26Å; R125-E129 IonicContact NH1-OE1 2.77Å; R125-E129 IonicContact NH1-OE2 2.82Å; R125-E129 PolarHBondContact NH1-OE2 2.73Å; R125-E129 IonicContact NH2-OE2 3.92Å; R125-E129 PolarHBondContact NH2-OE2 3.18Å; R125-E129 VanDerWaalsContact O-CB 3.29Å; R125-E129 WeakPolarHBondContact O-CB 3.37Å; R125-E129 PolarHBondContact O-N 3.22Å; R125-V147 HydrophobicContact CB-CG1 4.47Å; R125-V147 VanDerWaalsContact CD-O 3.23Å; R125-V147 WeakPolarHBondContact CD-O 3.19Å; R125-V147 HydrophobicContact CG-CB 4.05Å; R125-V147 HydrophobicContact CG-CG1 3.67Å; R125-V147 VanDerWaalsContact CG-O 3.3Å; R125-V147 WeakPolarHBondContact CG-O 3.29Å; R125-V147 PolarHBondContact NH1-O 3.04Å; R125-A149 HydrophobicContact CB-CB 4.04Å; R125-A149 HydrophobicContact CG-CB 4.05Å; R125-L159 HydrophobicContact CB-CD2 3.9Å; R125-L159 HydrophobicContact CG-CD2 4.4Å
126	R	97.7	Very high	96.1	Very high	119 Å²	119	34.1 Å²	34.1	45%	0.449	19%	0.187	S	C	.	.	H	α-helix	trans	-61.3	-49.3	177.4	-74.9	-176.5	-162.9	161.2	10.4	112.2	E122 W124 L128 E129 D130	E122-R126 WeakPolarHBondContact O-CG 3.09Å; E122-R126 PolarHBondContact O-N 3.38Å; E122-R126 IonicContact OE1-CZ 3.75Å; E122-R126 IonicContact OE1-NE 3.98Å; E122-R126 PolarHBondContact OE1-NE 3.26Å; E122-R126 IonicContact OE1-NH2 3.93Å; E122-R126 PolarHBondContact OE1-NH2 2.99Å; W124-R126 PolarHBondContact O-N 3.46Å; R126-L128 VanDerWaalsContact C-N 3.28Å; R126-L128 PolarHBondContact O-N 3.13Å; R126-E129 PolarHBondContact O-N 3.43Å; R126-D130 WeakPolarHBondContact O-CB 3.47Å; R126-D130 VanDerWaalsContact O-CG 3.23Å; R126-D130 PolarHBondContact O-N 3.4Å
127	A	98.2	Very high	96.5	Very high	10 Å²	10	36 Å²	36	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-39.2	-178.6	0	0	0	0	0	112.3	S123 W124 S131 P227 R228 A231	S123-A127 WeakPolarHBondContact O-CB 3.42Å; S123-A127 PolarHBondContact O-N 3.43Å; W124-A127 PolarHBondContact O-N 2.92Å; A127-S131 PolarHBondContact O-N 3.03Å; A127-S131 PolarHBondContact O-OG 2.86Å; A127-P227 HydrophobicContact CB-CB 3.75Å; A127-P227 WeakPolarHBondContact CB-O 3.49Å; A127-R228 HydrophobicContact CB-CG 4.47Å; A127-A231 VanDerWaalsContact C-CB 3.41Å; A127-A231 HydrophobicContact CB-CB 4.1Å; A127-A231 WeakPolarHBondContact O-CB 3.45Å
128	L	98.5	Very high	96.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-47.6	174.9	-175.5	62.3	0	0	0	111.1	W124 R125 R126 D130 S131 A132 V147 L159 M161 F182 A231 I235	W124-L128 VanDerWaalsContact O-CB 3.3Å; W124-L128 WeakPolarHBondContact O-CB 3.15Å; W124-L128 PolarHBondContact O-N 3.12Å; R125-L128 PolarHBondContact O-N 2.84Å; R126-L128 VanDerWaalsContact C-N 3.28Å; R126-L128 PolarHBondContact O-N 3.13Å; L128-D130 PolarHBondContact O-N 3.24Å; L128-S131 PolarHBondContact O-N 3.28Å; L128-A132 WeakPolarHBondContact O-CB 3.48Å; L128-A132 PolarHBondContact O-N 3.13Å; L128-V147 HydrophobicContact CD2-CG1 3.95Å; L128-V147 HydrophobicContact CG-CG1 4.43Å; L128-V147 HydrophobicContact CG-CG2 4.45Å; L128-L159 HydrophobicContact CD2-CB 4.39Å; L128-L159 HydrophobicContact CD2-CD1 4.08Å; L128-M161 HydrophobicContact CD1-SD 4.4Å; L128-M161 HydrophobicContact CD2-CB 4.41Å; L128-M161 HydrophobicContact CG-SD 4.26Å; L128-F182 HydrophobicContact CD1-CE1 4.38Å; L128-F182 HydrophobicContact CD1-CZ 4.07Å; L128-F182 HydrophobicContact CD2-CD2 4.03Å; L128-F182 HydrophobicContact CD2-CE1 4.21Å; L128-F182 HydrophobicContact CD2-CE2 3.65Å; L128-F182 HydrophobicContact CD2-CG 4.49Å; L128-F182 HydrophobicContact CD2-CZ 3.75Å; L128-A231 HydrophobicContact CB-CB 4.46Å; L128-I235 HydrophobicContact CD1-CD1 4.03Å; L128-I235 HydrophobicContact CD1-CG1 4.26Å
129	E	98.4	Very high	96.9	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-42.3	178.6	-175.2	166.8	-126.6	0	0	113	R89 R125 R126 A132 T133 V147	R89-E129 WeakPolarHBondContact CB-OE2 3.3Å; R89-E129 IonicContact CZ-OE1 3.46Å; R89-E129 VanDerWaalsContact NE-CD 3.25Å; R89-E129 IonicContact NE-OE1 3.07Å; R89-E129 PolarHBondContact NE-OE1 3.41Å; R89-E129 IonicContact NE-OE2 3.77Å; R89-E129 IonicContact NH2-OE1 3.6Å; R89-E129 PolarHBondContact NH2-OE1 3.23Å; R125-E129 IonicContact CZ-OE2 3.44Å; R125-E129 VanDerWaalsContact CZ-OE2 3.26Å; R125-E129 VanDerWaalsContact NH1-CD 3.26Å; R125-E129 IonicContact NH1-OE1 2.77Å; R125-E129 IonicContact NH1-OE2 2.82Å; R125-E129 PolarHBondContact NH1-OE2 2.73Å; R125-E129 IonicContact NH2-OE2 3.92Å; R125-E129 PolarHBondContact NH2-OE2 3.18Å; R125-E129 VanDerWaalsContact O-CB 3.29Å; R125-E129 WeakPolarHBondContact O-CB 3.37Å; R125-E129 PolarHBondContact O-N 3.22Å; R126-E129 PolarHBondContact O-N 3.43Å; E129-A132 PolarHBondContact O-N 3.46Å; E129-T133 WeakPolarHBondContact O-CB 3.26Å; E129-T133 PolarHBondContact O-N 2.91Å; E129-T133 PolarHBondContact O-OG1 2.96Å; E129-V147 HydrophobicContact CB-CB 4Å; E129-V147 HydrophobicContact CB-CG2 3.65Å; E129-V147 HydrophobicContact CG-CG2 4.14Å
130	D	98.2	Very high	97.1	Very high	103 Å²	103	42.6 Å²	42.6	55%	0.551	22%	0.221	S	C	*	.	H	α-helix	trans	-62	-47.8	176.7	-69.1	-19.9	0	0	0	110.7	R126 L128 T133 V134	R126-D130 WeakPolarHBondContact O-CB 3.47Å; R126-D130 VanDerWaalsContact O-CG 3.23Å; R126-D130 PolarHBondContact O-N 3.4Å; L128-D130 PolarHBondContact O-N 3.24Å; D130-T133 PolarHBondContact O-N 2.88Å; D130-V134 PolarHBondContact O-N 2.71Å
131	S	98.4	Very high	97.2	Very high	34 Å²	34	42.4 Å²	42.4	24%	0.238	23%	0.225	C	C	.	.	H	α-helix	trans	-66.7	-39.2	179.5	-57.4	0	0	0	0	111.9	A127 L128 Y135 A231	A127-S131 PolarHBondContact O-N 3.03Å; A127-S131 PolarHBondContact O-OG 2.86Å; L128-S131 PolarHBondContact O-N 3.28Å; S131-Y135 PolarHBondContact O-N 2.83Å; S131-A231 WeakPolarHBondContact OG-CB 3.41Å
132	A	98.4	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.8	-37	177.2	0	0	0	0	0	111.8	L128 E129 V134 Y135 V136 V145 M161 I235	L128-A132 WeakPolarHBondContact O-CB 3.48Å; L128-A132 PolarHBondContact O-N 3.13Å; E129-A132 PolarHBondContact O-N 3.46Å; A132-V134 VanDerWaalsContact C-N 3.35Å; A132-V134 PolarHBondContact O-N 3.29Å; A132-Y135 PolarHBondContact O-N 3.48Å; A132-V136 WeakPolarHBondContact O-CB 3.32Å; A132-V136 VanDerWaalsContact O-CG2 3.32Å; A132-V136 WeakPolarHBondContact O-CG2 3.37Å; A132-V136 PolarHBondContact O-N 2.84Å; A132-V145 HydrophobicContact CB-CG1 4.46Å; A132-V145 HydrophobicContact CB-CG2 3.83Å; A132-M161 HydrophobicContact CB-SD 3.47Å; A132-M161 WeakPolarHBondContact CB-SD 3.3Å; A132-I235 HydrophobicContact CB-CD1 3.71Å
133	T	98.1	Very high	97.1	Very high	10 Å²	10	48.5 Å²	48.5	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-43.9	177.5	-60.6	0	0	0	0	111.1	Y70 R89 E129 D130 V136 N137	Y70-T133 HydrophobicContact CD1-CG2 3.89Å; Y70-T133 HydrophobicContact CE1-CG2 3.39Å; Y70-T133 HydrophobicContact CE2-CG2 4.38Å; R89-T133 PolarHBondContact NH1-OG1 3.04Å; R89-T133 PolarHBondContact NH2-OG1 2.8Å; E129-T133 WeakPolarHBondContact O-CB 3.26Å; E129-T133 PolarHBondContact O-N 2.91Å; E129-T133 PolarHBondContact O-OG1 2.96Å; D130-T133 PolarHBondContact O-N 2.88Å; T133-V136 PolarHBondContact O-N 2.87Å; T133-N137 WeakPolarHBondContact O-CB 3.44Å; T133-N137 VanDerWaalsContact O-CG 3.22Å; T133-N137 PolarHBondContact O-N 3.18Å; T133-N137 PolarHBondContact O-ND2 3.25Å
134	V	98	Very high	97.2	Very high	83 Å²	83	45.7 Å²	45.7	50%	0.503	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-48.7	174.4	179.9	0	0	0	0	110.7	D130 A132 V136 N137 E138	D130-V134 PolarHBondContact O-N 2.71Å; A132-V134 VanDerWaalsContact C-N 3.35Å; A132-V134 PolarHBondContact O-N 3.29Å; V134-V136 PolarHBondContact O-N 3.41Å; V134-N137 PolarHBondContact O-N 3.15Å; V134-E138 WeakPolarHBondContact O-CG 3.47Å; V134-E138 PolarHBondContact O-N 2.89Å; V134-E138 VanDerWaalsContact O-N 3.13Å
135	Y	98.3	Very high	97.2	Very high	10 Å²	10	45.4 Å²	45.4	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-45.6	178.7	170.2	-117	0	0	0	112.7	S131 A132 E138 H139 F140 I163 I235 I238 K239 D242	S131-Y135 PolarHBondContact O-N 2.83Å; A132-Y135 PolarHBondContact O-N 3.48Å; Y135-E138 PolarHBondContact O-N 2.9Å; Y135-H139 AromaticContact CD2-CE1 3.61Å; Y135-H139 AromaticContact CD2-CG 3.94Å; Y135-H139 AromaticContact CD2-ND1 3.27Å; Y135-H139 VanDerWaalsContact CD2-ND1 3.27Å; Y135-H139 WeakPolarHBondContact CD2-ND1 3.46Å; Y135-H139 HydrophobicContact CE2-CB 4.12Å; Y135-H139 AromaticContact CE2-CD2 3.99Å; Y135-H139 AromaticContact CE2-CE1 3.78Å; Y135-H139 AromaticContact CE2-CG 3.58Å; Y135-H139 AromaticContact CE2-ND1 3.41Å; Y135-H139 WeakPolarHBondContact CE2-ND1 3.42Å; Y135-H139 PolarHBondContact O-N 2.84Å; Y135-H139 VanDerWaalsContact O-N 3.13Å; Y135-H139 PolarHBondContact O-ND1 3.2Å; Y135-F140 HydrophobicContact CD1-CE2 4.44Å; Y135-F140 AromaticContact CE1-CE2 3.68Å; Y135-F140 HydrophobicContact CE1-CE2 3.68Å; Y135-F140 HydrophobicContact CE1-CZ 4.46Å; Y135-F140 AromaticContact CZ-CE2 3.77Å; Y135-I163 HydrophobicContact CD1-CD1 4.38Å; Y135-I163 HydrophobicContact CE1-CD1 4.26Å; Y135-I235 HydrophobicContact CD1-CG2 4.23Å; Y135-I235 HydrophobicContact CD2-CG2 4.33Å; Y135-I235 HydrophobicContact CG-CG2 3.78Å; Y135-I238 HydrophobicContact CE1-CG2 4.14Å; Y135-K239 HydrophobicContact CD2-CB 4.24Å; Y135-K239 HydrophobicContact CD2-CD 4.27Å; Y135-K239 HydrophobicContact CD2-CG 4.47Å; Y135-K239 HydrophobicContact CE2-CB 3.64Å; Y135-K239 HydrophobicContact CE2-CD 3.99Å; Y135-K239 HydrophobicContact CE2-CG 3.77Å; Y135-D242 WeakPolarHBondContact OH-CB 3.47Å; Y135-D242 PolarHBondContact OH-OD2 3.32Å
136	V	98	Very high	97.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-46.6	-178.5	168.5	0	0	0	0	111.3	A132 T133 V134 E138 H139 F140 V145 I163	A132-V136 WeakPolarHBondContact O-CB 3.32Å; A132-V136 VanDerWaalsContact O-CG2 3.32Å; A132-V136 WeakPolarHBondContact O-CG2 3.37Å; A132-V136 PolarHBondContact O-N 2.84Å; T133-V136 PolarHBondContact O-N 2.87Å; V134-V136 PolarHBondContact O-N 3.41Å; V136-E138 PolarHBondContact O-N 2.79Å; V136-H139 PolarHBondContact O-N 3.45Å; V136-F140 HydrophobicContact CB-CD2 4.47Å; V136-F140 HydrophobicContact CG1-CB 4.19Å; V136-F140 HydrophobicContact CG2-CD2 4.26Å; V136-F140 WeakPolarHBondContact O-CB 3.45Å; V136-F140 PolarHBondContact O-N 3.29Å; V136-V145 HydrophobicContact CB-CG1 4.34Å; V136-V145 HydrophobicContact CG2-CB 4.04Å; V136-V145 HydrophobicContact CG2-CG1 4.22Å; V136-I163 HydrophobicContact CG2-CB 4.45Å; V136-I163 HydrophobicContact CG2-CD1 3.87Å; V136-I163 HydrophobicContact CG2-CG1 3.97Å; V136-I163 HydrophobicContact CG2-CG2 3.67Å
137	N	96.5	Very high	97.3	Very high	98 Å²	98	39.6 Å²	39.6	52%	0.524	22%	0.22	S	C	.	.	H	α-helix	trans	-61.2	-29.4	176.8	-71	-19.6	0	0	0	113.3	T133 V134	T133-N137 WeakPolarHBondContact O-CB 3.44Å; T133-N137 VanDerWaalsContact O-CG 3.22Å; T133-N137 PolarHBondContact O-N 3.18Å; T133-N137 PolarHBondContact O-ND2 3.25Å; V134-N137 PolarHBondContact O-N 3.15Å
138	E	97.4	Very high	97.3	Very high	133 Å²	133	39.1 Å²	39.1	62%	0.621	22%	0.216	S	C	*	.	H	α-helix	trans	-81	-29.9	178.8	-75.2	177.8	177.6	0	0	113.9	V134 Y135 V136	V134-E138 WeakPolarHBondContact O-CG 3.47Å; V134-E138 PolarHBondContact O-N 2.89Å; V134-E138 VanDerWaalsContact O-N 3.13Å; Y135-E138 PolarHBondContact O-N 2.9Å; V136-E138 PolarHBondContact O-N 2.79Å
139	H	97.4	Very high	97.2	Very high	66 Å²	66	39.3 Å²	39.3	31%	0.306	22%	0.217	S	C	.	.	H	α-helix	trans	-119.4	-17.8	-167.6	-58.4	76.4	0	0	0	114.5	Y135 V136 K239	Y135-H139 AromaticContact CD2-CE1 3.61Å; Y135-H139 AromaticContact CD2-CG 3.94Å; Y135-H139 AromaticContact CD2-ND1 3.27Å; Y135-H139 VanDerWaalsContact CD2-ND1 3.27Å; Y135-H139 WeakPolarHBondContact CD2-ND1 3.46Å; Y135-H139 HydrophobicContact CE2-CB 4.12Å; Y135-H139 AromaticContact CE2-CD2 3.99Å; Y135-H139 AromaticContact CE2-CE1 3.78Å; Y135-H139 AromaticContact CE2-CG 3.58Å; Y135-H139 AromaticContact CE2-ND1 3.41Å; Y135-H139 WeakPolarHBondContact CE2-ND1 3.42Å; Y135-H139 PolarHBondContact O-N 2.84Å; Y135-H139 VanDerWaalsContact O-N 3.13Å; Y135-H139 PolarHBondContact O-ND1 3.2Å; V136-H139 PolarHBondContact O-N 3.45Å; H139-K239 PolarHBondContact CE1-NZ 3.44Å; H139-K239 VanDerWaalsContact NE2-CE 3.29Å; H139-K239 WeakPolarHBondContact NE2-CE 3.44Å; H139-K239 PolarHBondContact NE2-NZ 2.92Å
140	F	96.8	Very high	97.1	Very high	21 Å²	21	40.2 Å²	40.2	9%	0.092	22%	0.222	C	C	.	.	S	Bend	trans	-125.9	99.2	-174.6	-62.7	-91	0	0	0	110.2	Y135 V136 D142 G143 I163 W176	Y135-F140 HydrophobicContact CD1-CE2 4.44Å; Y135-F140 AromaticContact CE1-CE2 3.68Å; Y135-F140 HydrophobicContact CE1-CE2 3.68Å; Y135-F140 HydrophobicContact CE1-CZ 4.46Å; Y135-F140 AromaticContact CZ-CE2 3.77Å; V136-F140 HydrophobicContact CB-CD2 4.47Å; V136-F140 HydrophobicContact CG1-CB 4.19Å; V136-F140 HydrophobicContact CG2-CD2 4.26Å; V136-F140 WeakPolarHBondContact O-CB 3.45Å; V136-F140 PolarHBondContact O-N 3.29Å; F140-D142 PolarHBondContact O-N 3.16Å; F140-G143 PolarHBondContact O-N 3.37Å; F140-I163 HydrophobicContact CE2-CG2 4.46Å; F140-W176 HydrophobicContact CD1-CG 4.3Å; F140-W176 AromaticContact CE1-CD1 3.48Å; F140-W176 VanDerWaalsContact CE1-CD1 3.48Å; F140-W176 AromaticContact CE1-CD2 3.75Å; F140-W176 HydrophobicContact CE1-CD2 3.75Å; F140-W176 AromaticContact CE1-CE2 3.56Å; F140-W176 AromaticContact CE1-CG 3.72Å; F140-W176 HydrophobicContact CE1-CG 3.72Å; F140-W176 HydrophobicContact CE1-CZ2 4.16Å; F140-W176 AromaticContact CE1-NE1 3.41Å; F140-W176 AromaticContact CZ-CE2 3.91Å; F140-W176 HydrophobicContact CZ-CZ2 4.14Å; F140-W176 AromaticContact CZ-NE1 3.75Å
141	P	93.6	Very high	96.9	Very high	102 Å²	102	39.8 Å²	39.8	66%	0.662	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	130.5	171.2	-24.4	34.7	0	0	0	110.5	G143 S165	P141-G143 PolarHBondContact O-N 3.38Å; P141-S165 PolarHBondContact O-OG 2.97Å
142	D	90.8	Very high	96.5	Very high	135 Å²	135	41 Å²	41	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	25.8	-176.5	-56.3	-45	0	0	0	114.5	F140	F140-D142 PolarHBondContact O-N 3.16Å
143	G	96.2	Very high	96	Very high	12 Å²	12	49.3 Å²	49.3	12%	0.124	27%	0.266	C	S	.	.			trans	-72.3	152.4	179	0	0	0	0	0	113.4	F140 P141 E164	F140-G143 PolarHBondContact O-N 3.37Å; P141-G143 PolarHBondContact O-N 3.38Å; G143-E164 CarbonylContact C-O 3.49Å; G143-E164 WeakPolarHBondContact CA-O 3.45Å
144	A	97.5	Very high	95.5	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.017	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.7	178.4	0	0	0	0	0	110	H62 P71 L73 I163 E164	H62-A144 HydrophobicContact CB-CB 3.94Å; P71-A144 HydrophobicContact CB-CB 4.35Å; P71-A144 HydrophobicContact CG-CB 3.61Å; L73-A144 HydrophobicContact CD2-CB 3.57Å; L73-A144 HydrophobicContact CG-CB 4.37Å; A144-I163 WeakPolarHBondContact O-CA 3.21Å; A144-E164 PolarHBondContact N-O 2.94Å; A144-E164 PolarHBondContact O-N 3.05Å
145	V	98.1	Very high	95	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.5	177.6	59.9	0	0	0	0	111.6	R89 A132 V136 M161 C162 I163	R89-V145 PolarHBondContact NH2-O 3.2Å; R89-V145 VanDerWaalsContact NH2-O 3.1Å; A132-V145 HydrophobicContact CB-CG1 4.46Å; A132-V145 HydrophobicContact CB-CG2 3.83Å; V136-V145 HydrophobicContact CB-CG1 4.34Å; V136-V145 HydrophobicContact CG2-CB 4.04Å; V136-V145 HydrophobicContact CG2-CG1 4.22Å; V145-M161 HydrophobicContact CG2-CG 3.89Å; V145-M161 HydrophobicContact CG2-SD 4.3Å; V145-C162 VanDerWaalsContact CA-O 3.3Å; V145-C162 WeakPolarHBondContact CA-O 3.34Å; V145-C162 WeakPolarHBondContact CG2-O 3.43Å; V145-I163 HydrophobicContact CB-CG1 4.28Å; V145-I163 HydrophobicContact CG2-CG1 3.89Å
146	E	97.8	Very high	94.7	Very high	1 Å²	1	55 Å²	55	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.8	174.1	-168	76.5	-125.6	0	0	109.2	T72 L73 P88 R89 Y148 M161 C162	T72-E146 WeakPolarHBondContact CB-OE2 3.22Å; T72-E146 PolarHBondContact OG1-OE2 3.46Å; L73-E146 HydrophobicContact CB-CB 4.22Å; L73-E146 HydrophobicContact CD1-CB 4.13Å; L73-E146 HydrophobicContact CG-CB 4.15Å; P88-E146 VanDerWaalsContact CD-OE1 3.26Å; P88-E146 WeakPolarHBondContact CD-OE1 3.26Å; R89-E146 PolarHBondContact N-OE1 3.17Å; E146-Y148 HydrophobicContact CB-CE2 4.27Å; E146-Y148 HydrophobicContact CG-CD1 4.48Å; E146-Y148 HydrophobicContact CG-CE1 3.7Å; E146-Y148 HydrophobicContact CG-CE2 4.06Å; E146-Y148 VanDerWaalsContact CG-CZ 3.47Å; E146-Y148 WeakPolarHBondContact CG-OH 3.4Å; E146-M161 WeakPolarHBondContact O-CA 3.37Å; E146-C162 PolarHBondContact N-O 3.15Å; E146-C162 VanDerWaalsContact N-O 3.11Å; E146-C162 PolarHBondContact O-N 2.65Å
147	V	98.4	Very high	94.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126	177.8	-172.7	0	0	0	0	110.4	R125 L128 E129 V160 M161	R125-V147 HydrophobicContact CB-CG1 4.47Å; R125-V147 VanDerWaalsContact CD-O 3.23Å; R125-V147 WeakPolarHBondContact CD-O 3.19Å; R125-V147 HydrophobicContact CG-CB 4.05Å; R125-V147 HydrophobicContact CG-CG1 3.67Å; R125-V147 VanDerWaalsContact CG-O 3.3Å; R125-V147 WeakPolarHBondContact CG-O 3.29Å; R125-V147 PolarHBondContact NH1-O 3.04Å; L128-V147 HydrophobicContact CD2-CG1 3.95Å; L128-V147 HydrophobicContact CG-CG1 4.43Å; L128-V147 HydrophobicContact CG-CG2 4.45Å; E129-V147 HydrophobicContact CB-CB 4Å; E129-V147 HydrophobicContact CB-CG2 3.65Å; E129-V147 HydrophobicContact CG-CG2 4.14Å; V147-V160 CarbonylContact C-O 3.56Å; V147-V160 WeakPolarHBondContact CA-O 3.46Å; V147-M161 HydrophobicContact CG2-CB 4.06Å; V147-M161 HydrophobicContact CG2-CG 3.87Å; V147-M161 HydrophobicContact CG2-SD 4.41Å
148	Y	97.7	Very high	94.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.1	178.6	-49.1	-81.9	0	0	0	110.4	L73 T75 Y77 A78 M86 P88 E146 L159 V160	L73-Y148 PolarHBondContact O-OH 3.01Å; T75-Y148 HydrophobicContact CG2-CE2 4.35Å; T75-Y148 WeakPolarHBondContact CG2-OH 3.33Å; T75-Y148 WeakPolarHBondContact OG1-CE2 3.4Å; T75-Y148 VanDerWaalsContact OG1-CZ 3.24Å; T75-Y148 PolarHBondContact OG1-OH 2.86Å; Y77-Y148 HydrophobicContact CD2-CD2 4.25Å; Y77-Y148 HydrophobicContact CD2-CE2 4.22Å; Y77-Y148 HydrophobicContact CG-CD2 4.14Å; Y77-Y148 HydrophobicContact CG-CE2 4.39Å; A78-Y148 HydrophobicContact CB-CE1 3.71Å; M86-Y148 HydrophobicContact CE-CD1 3.72Å; M86-Y148 HydrophobicContact CE-CE1 4.41Å; P88-Y148 HydrophobicContact CG-CD1 3.59Å; P88-Y148 HydrophobicContact CG-CE1 3.97Å; E146-Y148 HydrophobicContact CB-CE2 4.27Å; E146-Y148 HydrophobicContact CG-CD1 4.48Å; E146-Y148 HydrophobicContact CG-CE1 3.7Å; E146-Y148 HydrophobicContact CG-CE2 4.06Å; E146-Y148 VanDerWaalsContact CG-CZ 3.47Å; E146-Y148 WeakPolarHBondContact CG-OH 3.4Å; Y148-L159 CarbonylContact O-C 3.49Å; Y148-L159 VanDerWaalsContact O-CA 3.24Å; Y148-L159 WeakPolarHBondContact O-CA 3.24Å; Y148-V160 HydrophobicContact CD2-CB 4.33Å; Y148-V160 WeakPolarHBondContact CD2-O 3.42Å; Y148-V160 PolarHBondContact N-O 3.18Å; Y148-V160 PolarHBondContact O-N 3.41Å
149	A	97	Very high	94.5	Very high	4 Å²	4	48 Å²	48	3%	0.033	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111	168.1	0	0	0	0	0	108.1	I117 D118 L121 R125 L159	I117-A149 WeakPolarHBondContact CA-O 3.42Å; D118-A149 HydrophobicContact CB-CB 4.43Å; D118-A149 PolarHBondContact N-O 2.97Å; L121-A149 HydrophobicContact CB-CB 4.04Å; R125-A149 HydrophobicContact CB-CB 4.04Å; R125-A149 HydrophobicContact CG-CB 4.05Å; A149-L159 HydrophobicContact CB-CD2 3.89Å
150	L	95.8	Very high	94.6	Very high	22 Å²	22	45 Å²	45	12%	0.115	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.4	-167.9	-58	177.2	0	0	0	111.6	Y77 M86 N116 S158 V160	Y77-L150 HydrophobicContact CD1-CD1 3.59Å; Y77-L150 HydrophobicContact CE1-CD1 4.4Å; Y77-L150 HydrophobicContact CG-CD1 4.23Å; M86-L150 HydrophobicContact CE-CD2 4.27Å; N116-L150 CarbonylContact O-C 3.58Å; N116-L150 VanDerWaalsContact O-CA 3.3Å; N116-L150 WeakPolarHBondContact O-CA 3.38Å; L150-S158 PolarHBondContact N-O 3.22Å; L150-S158 PolarHBondContact O-N 2.85Å; L150-V160 HydrophobicContact CD1-CB 4.46Å; L150-V160 HydrophobicContact CD1-CG2 3.86Å
151	R	93.8	Very high	94.7	Very high	94 Å²	94	44 Å²	44	36%	0.355	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.9	168.7	-175.1	173.8	-65.3	-163.9	4.4	108.8	N116 D118 D120 A156	N116-R151 WeakPolarHBondContact CA-O 3.47Å; N116-R151 PolarHBondContact O-N 3.02Å; D118-R151 HydrophobicContact CB-CB 4.19Å; D118-R151 IonicContact OD1-NH2 3.54Å; D118-R151 IonicContact OD2-CZ 3.36Å; D118-R151 IonicContact OD2-NE 2.99Å; D118-R151 PolarHBondContact OD2-NE 2.78Å; D118-R151 IonicContact OD2-NH2 2.85Å; D118-R151 PolarHBondContact OD2-NH2 3.06Å; D120-R151 IonicContact OD2-NH2 3.19Å; D120-R151 PolarHBondContact OD2-NH2 3.49Å; R151-A156 CarbonylContact C-O 3.51Å; R151-A156 WeakPolarHBondContact CA-O 3.26Å
152	S	90.5	Very high	94.9	Very high	61 Å²	61	39.1 Å²	39.1	43%	0.427	23%	0.226	S	C	.	.			trans	-79.5	160.4	175.4	167.2	0	0	0	0	110.9	D154 G155 A156	S152-D154 WeakPolarHBondContact CB-OD1 3.44Å; S152-D154 PolarHBondContact O-N 3.07Å; S152-D154 PolarHBondContact OG-OD1 3.35Å; S152-G155 WeakPolarHBondContact O-CA 3.23Å; S152-G155 PolarHBondContact O-N 3.17Å; S152-A156 PolarHBondContact N-O 3.02Å
153	N	88.1	Confident	95.3	Very high	174 Å²	174	32.7 Å²	32.7	93%	0.93	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.6	-180	-67.8	-18.9	0	0	0	113.2	G155	N153-G155 PolarHBondContact O-N 3.42Å
154	D	88.3	Confident	95.3	Very high	127 Å²	127	32.1 Å²	32.1	68%	0.679	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	0.8	173.8	65.6	-10.6	0	0	0	113.4	S152 A156	S152-D154 WeakPolarHBondContact CB-OD1 3.44Å; S152-D154 PolarHBondContact O-N 3.07Å; S152-D154 PolarHBondContact OG-OD1 3.35Å; D154-A156 VanDerWaalsContact C-N 3.3Å; D154-A156 WeakPolarHBondContact OD1-CB 3.47Å; D154-A156 PolarHBondContact OD1-N 3.36Å
155	G	87.1	Confident	95.3	Very high	46 Å²	46	32.7 Å²	32.7	47%	0.474	19%	0.189	S	C	.	.	S	Bend	trans	81.7	3.3	-176.4	0	0	0	0	0	114	S152 N153	S152-G155 WeakPolarHBondContact O-CA 3.23Å; S152-G155 PolarHBondContact O-N 3.17Å; N153-G155 PolarHBondContact O-N 3.42Å
156	A	91.7	Very high	95.2	Very high	50 Å²	50	34.5 Å²	34.5	41%	0.413	20%	0.197	S	C	.	.			trans	-65.8	136.4	173.8	0	0	0	0	0	110.4	R151 S152 D154	R151-A156 CarbonylContact C-O 3.51Å; R151-A156 WeakPolarHBondContact CA-O 3.26Å; S152-A156 PolarHBondContact N-O 3.02Å; D154-A156 VanDerWaalsContact C-N 3.3Å; D154-A156 WeakPolarHBondContact OD1-CB 3.47Å; D154-A156 PolarHBondContact OD1-N 3.36Å
157	R	94.2	Very high	95.1	Very high	61 Å²	61	38.1 Å²	38.1	23%	0.23	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.5	-175.7	-53	172.6	64.8	174.5	12	109.2	D118 D120 L121 L184	D118-R157 IonicContact OD1-CZ 3.57Å; D118-R157 IonicContact OD1-NE 3.6Å; D118-R157 IonicContact OD1-NH2 2.7Å; D118-R157 PolarHBondContact OD1-NH2 2.9Å; D118-R157 WeakPolarHBondContact OD2-CG 3.36Å; D118-R157 IonicContact OD2-CZ 3.39Å; D118-R157 IonicContact OD2-NE 2.7Å; D118-R157 PolarHBondContact OD2-NE 3.24Å; D118-R157 IonicContact OD2-NH2 3.3Å; D118-R157 PolarHBondContact OD2-NH2 3.28Å; D120-R157 IonicContact OD2-CZ 3.47Å; D120-R157 IonicContact OD2-NH1 3.69Å; D120-R157 IonicContact OD2-NH2 2.75Å; D120-R157 PolarHBondContact OD2-NH2 2.93Å; L121-R157 HydrophobicContact CD1-CB 4.02Å; R157-L184 HydrophobicContact CB-CB 4.41Å; R157-L184 HydrophobicContact CB-CD2 4.43Å; R157-L184 PolarHBondContact O-N 2.95Å
158	S	96.3	Very high	94.9	Very high	23 Å²	23	42.1 Å²	42.1	16%	0.161	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.2	-178	54.2	0	0	0	0	113.1	L150 F182	L150-S158 PolarHBondContact N-O 3.22Å; L150-S158 PolarHBondContact O-N 2.85Å; S158-F182 CarbonylContact C-O 3.55Å; S158-F182 WeakPolarHBondContact CA-O 3.43Å; S158-F182 WeakPolarHBondContact CB-O 3.46Å
159	L	97.9	Very high	94.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	143.1	158.4	-52.8	169.5	0	0	0	108.8	L121 W124 R125 L128 Y148 A149 F182 F192 F230	L121-L159 HydrophobicContact CB-CD2 3.98Å; L121-L159 HydrophobicContact CD1-CD2 4.22Å; L121-L159 HydrophobicContact CD1-CG 4.49Å; W124-L159 HydrophobicContact CB-CD1 3.83Å; R125-L159 HydrophobicContact CB-CD2 3.9Å; R125-L159 HydrophobicContact CG-CD2 4.4Å; L128-L159 HydrophobicContact CD2-CB 4.39Å; L128-L159 HydrophobicContact CD2-CD1 4.08Å; Y148-L159 CarbonylContact O-C 3.49Å; Y148-L159 VanDerWaalsContact O-CA 3.24Å; Y148-L159 WeakPolarHBondContact O-CA 3.24Å; A149-L159 HydrophobicContact CB-CD2 3.89Å; L159-F182 HydrophobicContact CB-CB 4.02Å; L159-F182 HydrophobicContact CB-CD2 4.19Å; L159-F182 HydrophobicContact CB-CG 4.33Å; L159-F182 PolarHBondContact N-O 3.05Å; L159-F182 PolarHBondContact O-N 3.38Å; L159-F192 HydrophobicContact CD1-CE1 4.43Å; L159-F192 HydrophobicContact CG-CE1 4.45Å; L159-F230 HydrophobicContact CD1-CE1 4.08Å
160	V	98.4	Very high	94.5	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.3	170.7	-178	0	0	0	0	108.1	Y77 V147 Y148 L150 E179 W180 T181	Y77-V160 HydrophobicContact CD1-CG1 4.36Å; Y77-V160 HydrophobicContact CD1-CG2 4.29Å; Y77-V160 HydrophobicContact CD2-CG1 3.74Å; Y77-V160 HydrophobicContact CE1-CG1 4.17Å; Y77-V160 HydrophobicContact CE1-CG2 4.14Å; Y77-V160 HydrophobicContact CE2-CG1 3.53Å; Y77-V160 HydrophobicContact CG-CB 4.47Å; Y77-V160 HydrophobicContact CG-CG1 4.15Å; V147-V160 CarbonylContact C-O 3.56Å; V147-V160 WeakPolarHBondContact CA-O 3.46Å; Y148-V160 HydrophobicContact CD2-CB 4.33Å; Y148-V160 WeakPolarHBondContact CD2-O 3.42Å; Y148-V160 PolarHBondContact N-O 3.18Å; Y148-V160 PolarHBondContact O-N 3.41Å; L150-V160 HydrophobicContact CD1-CB 4.46Å; L150-V160 HydrophobicContact CD1-CG2 3.86Å; V160-E179 HydrophobicContact CG1-CG 4.17Å; V160-W180 CarbonylContact C-O 3.6Å; V160-W180 WeakPolarHBondContact CA-O 3.12Å; V160-T181 HydrophobicContact CG2-CG2 4.4Å
161	M	98.7	Very high	94.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.4	175.8	177.6	177.6	78.8	0	0	109.4	L128 A132 V145 E146 V147 I163 W180 F182 I235 I238	L128-M161 HydrophobicContact CD1-SD 4.4Å; L128-M161 HydrophobicContact CD2-CB 4.41Å; L128-M161 HydrophobicContact CG-SD 4.26Å; A132-M161 HydrophobicContact CB-SD 3.47Å; A132-M161 WeakPolarHBondContact CB-SD 3.3Å; V145-M161 HydrophobicContact CG2-CG 3.89Å; V145-M161 HydrophobicContact CG2-SD 4.3Å; E146-M161 WeakPolarHBondContact O-CA 3.37Å; V147-M161 HydrophobicContact CG2-CB 4.06Å; V147-M161 HydrophobicContact CG2-CG 3.87Å; V147-M161 HydrophobicContact CG2-SD 4.41Å; M161-I163 HydrophobicContact CE-CD1 3.91Å; M161-I163 HydrophobicContact CE-CG1 4.43Å; M161-I163 HydrophobicContact CG-CG1 4.41Å; M161-W180 HydrophobicContact CB-CB 4.32Å; M161-W180 HydrophobicContact CE-CB 4.12Å; M161-W180 HydrophobicContact CE-CG 3.9Å; M161-W180 PolarHBondContact N-O 3.03Å; M161-W180 PolarHBondContact O-N 3.22Å; M161-F182 HydrophobicContact CB-CE2 4.03Å; M161-I235 HydrophobicContact CE-CD1 4.03Å; M161-I235 HydrophobicContact SD-CD1 3.95Å; M161-I238 HydrophobicContact CE-CD1 3.38Å
162	C	98.6	Very high	94.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.6	175.2	-62.1	0	0	0	0	109	M60 L73 T75 V145 E146 S178	M60-C162 HydrophobicContact CE-CB 4.3Å; M60-C162 HydrophobicContact SD-CB 3.9Å; L73-C162 HydrophobicContact CD1-CB 3.69Å; L73-C162 VanDerWaalsContact CD1-O 3.3Å; L73-C162 WeakPolarHBondContact CD1-O 3.49Å; T75-C162 HydrophobicContact CG2-CB 4.33Å; V145-C162 VanDerWaalsContact CA-O 3.3Å; V145-C162 WeakPolarHBondContact CA-O 3.34Å; V145-C162 WeakPolarHBondContact CG2-O 3.43Å; E146-C162 PolarHBondContact N-O 3.15Å; E146-C162 VanDerWaalsContact N-O 3.11Å; E146-C162 PolarHBondContact O-N 2.65Å; C162-S178 WeakPolarHBondContact CA-O 3.45Å
163	I	98.3	Very high	94.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.6	172.3	-57.4	171.4	0	0	0	107.7	Y135 V136 F140 A144 V145 M161 R177 S178	Y135-I163 HydrophobicContact CD1-CD1 4.38Å; Y135-I163 HydrophobicContact CE1-CD1 4.26Å; V136-I163 HydrophobicContact CG2-CB 4.45Å; V136-I163 HydrophobicContact CG2-CD1 3.87Å; V136-I163 HydrophobicContact CG2-CG1 3.97Å; V136-I163 HydrophobicContact CG2-CG2 3.67Å; F140-I163 HydrophobicContact CE2-CG2 4.46Å; A144-I163 WeakPolarHBondContact O-CA 3.21Å; V145-I163 HydrophobicContact CB-CG1 4.28Å; V145-I163 HydrophobicContact CG2-CG1 3.89Å; M161-I163 HydrophobicContact CE-CD1 3.91Å; M161-I163 HydrophobicContact CE-CG1 4.43Å; M161-I163 HydrophobicContact CG-CG1 4.41Å; I163-R177 CarbonylContact O-C 3.52Å; I163-R177 WeakPolarHBondContact O-CA 3.43Å; I163-S178 WeakPolarHBondContact CB-OG 3.43Å; I163-S178 PolarHBondContact N-O 3.28Å; I163-S178 PolarHBondContact O-N 3.17Å
164	E	97.8	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.5	172.7	-165.5	-86	164.2	0	0	109.6	M60 L73 G143 A144 H166 R175 W176 R177	M60-E164 HydrophobicContact CB-CB 4.11Å; M60-E164 HydrophobicContact CB-CG 4.17Å; L73-E164 HydrophobicContact CD2-CB 3.99Å; G143-E164 CarbonylContact C-O 3.49Å; G143-E164 WeakPolarHBondContact CA-O 3.45Å; A144-E164 PolarHBondContact N-O 2.94Å; A144-E164 PolarHBondContact O-N 3.05Å; E164-H166 VanDerWaalsContact CD-ND1 3.34Å; E164-H166 WeakPolarHBondContact OE1-CB 3.47Å; E164-H166 IonicContact OE1-CE1 3.63Å; E164-H166 IonicContact OE1-CG 3.97Å; E164-H166 IonicContact OE1-ND1 3.76Å; E164-H166 PolarHBondContact OE1-ND1 2.55Å; E164-H166 IonicContact OE2-CE1 3.79Å; E164-H166 IonicContact OE2-ND1 2.69Å; E164-H166 PolarHBondContact OE2-ND1 2.92Å; E164-R175 HydrophobicContact CG-CG 4.33Å; E164-R175 WeakPolarHBondContact OE1-CD 3.34Å; E164-R175 WeakPolarHBondContact OE1-CG 3.48Å; E164-R175 IonicContact OE1-CZ 3.16Å; E164-R175 IonicContact OE1-NE 2.69Å; E164-R175 PolarHBondContact OE1-NE 3.35Å; E164-R175 IonicContact OE1-NH2 2.82Å; E164-W176 WeakPolarHBondContact CA-O 3.39Å; E164-R177 HydrophobicContact CG-CG 4.2Å
165	S	97.2	Very high	95.6	Very high	14 Å²	14	38.6 Å²	38.6	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	143.1	166.9	170.2	0	0	0	0	108	P141 R175 W176	P141-S165 PolarHBondContact O-OG 2.97Å; S165-R175 CarbonylContact O-C 3.37Å; S165-R175 WeakPolarHBondContact O-CA 3.48Å; S165-W176 PolarHBondContact N-O 3.19Å; S165-W176 PolarHBondContact O-N 3.45Å
166	H	96.5	Very high	96.1	Very high	44 Å²	44	38.1 Å²	38.1	20%	0.204	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	166.9	-179.5	60	-88.9	0	0	0	111.2	C25 H62 E164 G174 R175	C25-H166 VanDerWaalsContact SG-CD2 3.53Å; H62-H166 AromaticContact CD2-CE1 3.77Å; H62-H166 AromaticContact CE1-CE1 3.32Å; H62-H166 PolarHBondContact CE1-CE1 3.45Å; H62-H166 AromaticContact CE1-NE2 4Å; H62-H166 AromaticContact ND1-CE1 3.78Å; H62-H166 AromaticContact NE2-CE1 3.33Å; H62-H166 PolarHBondContact NE2-CE1 3.42Å; H62-H166 VanDerWaalsContact NE2-CE1 3.33Å; H62-H166 AromaticContact NE2-NE2 3.85Å; E164-H166 VanDerWaalsContact CD-ND1 3.34Å; E164-H166 WeakPolarHBondContact OE1-CB 3.47Å; E164-H166 IonicContact OE1-CE1 3.63Å; E164-H166 IonicContact OE1-CG 3.97Å; E164-H166 IonicContact OE1-ND1 3.76Å; E164-H166 PolarHBondContact OE1-ND1 2.55Å; E164-H166 IonicContact OE2-CE1 3.79Å; E164-H166 IonicContact OE2-ND1 2.69Å; E164-H166 PolarHBondContact OE2-ND1 2.92Å; H166-G174 CarbonylContact C-O 3.56Å; H166-G174 WeakPolarHBondContact CA-O 3.37Å; H166-G174 WeakPolarHBondContact CB-O 3.48Å; H166-R175 HydrophobicContact CB-CB 4.14Å; H166-R175 HydrophobicContact CB-CG 4.37Å
167	F	95	Very high	96.4	Very high	78 Å²	78	36.9 Å²	36.9	34%	0.342	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.8	167.8	72.5	-90.9	0	0	0	109.5	K169 S172 T173 G174	F167-K169 HydrophobicContact CD2-CB 4.44Å; F167-K169 HydrophobicContact CD2-CD 4.17Å; F167-K169 HydrophobicContact CD2-CG 4.02Å; F167-S172 WeakPolarHBondContact CE2-O 3.41Å; F167-T173 WeakPolarHBondContact O-CA 3.49Å; F167-G174 PolarHBondContact N-O 2.82Å; F167-G174 PolarHBondContact O-N 2.68Å
168	S	94.1	Very high	96.6	Very high	84 Å²	84	34 Å²	34	59%	0.587	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.5	166.6	-178.2	0	0	0	0	108.1
169	K	93.2	Very high	96.7	Very high	149 Å²	149	35.5 Å²	35.5	65%	0.648	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	168.7	176.5	-69.1	179	-176.9	176.9	0	108.2	F167 Q171 S172	F167-K169 HydrophobicContact CD2-CB 4.44Å; F167-K169 HydrophobicContact CD2-CD 4.17Å; F167-K169 HydrophobicContact CD2-CG 4.02Å; K169-Q171 PolarHBondContact O-N 2.99Å; K169-S172 CarbonylContact C-O 3.44Å; K169-S172 PolarHBondContact N-O 3.17Å; K169-S172 PolarHBondContact O-N 3.22Å; K169-S172 VanDerWaalsContact O-N 3.1Å
170	H	92.4	Very high	96.8	Very high	156 Å²	156	35.5 Å²	35.5	72%	0.722	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	117.3	177.4	-173.6	66.9	0	0	0	110.6	S172	H170-S172 PolarHBondContact O-N 3.4Å; H170-S172 VanDerWaalsContact O-N 3.07Å
171	Q	92.6	Very high	96.8	Very high	59 Å²	59	36.3 Å²	36.3	28%	0.276	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	19.1	179.1	-63	177.1	-29.2	0	0	115.8	K169 Y205 E206	K169-Q171 PolarHBondContact O-N 2.99Å; Q171-Y205 VanDerWaalsContact C-CE1 3.44Å; Q171-Y205 VanDerWaalsContact CA-CZ 3.45Å; Q171-Y205 HydrophobicContact CB-CD2 4.14Å; Q171-Y205 HydrophobicContact CB-CE2 4.08Å; Q171-Y205 HydrophobicContact CG-CD2 4.17Å; Q171-Y205 HydrophobicContact CG-CE2 3.98Å; Q171-Y205 WeakPolarHBondContact O-CD1 3.15Å; Q171-Y205 PolarHBondContact O-N 2.82Å; Q171-E206 HydrophobicContact CB-CB 4.01Å
172	S	95.8	Very high	96.7	Very high	28 Å²	28	36.3 Å²	36.3	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	126.6	175.6	-175.9	0	0	0	0	112.1	F167 K169 H170 H203	F167-S172 WeakPolarHBondContact CE2-O 3.41Å; K169-S172 CarbonylContact C-O 3.44Å; K169-S172 PolarHBondContact N-O 3.17Å; K169-S172 PolarHBondContact O-N 3.22Å; K169-S172 VanDerWaalsContact O-N 3.1Å; H170-S172 PolarHBondContact O-N 3.4Å; H170-S172 VanDerWaalsContact O-N 3.07Å; S172-H203 CarbonylContact C-O 3.59Å; S172-H203 VanDerWaalsContact CA-O 3.23Å; S172-H203 WeakPolarHBondContact CA-O 3.36Å; S172-H203 PolarHBondContact OG-O 3.31Å
173	T	97.4	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158.4	178.1	61.2	0	0	0	0	110.1	P24 C25 E26 F167 T202 H203 Y205	P24-T173 VanDerWaalsContact O-CB 3.24Å; P24-T173 WeakPolarHBondContact O-CB 3.21Å; P24-T173 PolarHBondContact O-OG1 3.44Å; P24-T173 VanDerWaalsContact O-OG1 3.14Å; C25-T173 HydrophobicContact CB-CG2 3.93Å; E26-T173 HydrophobicContact CG-CG2 4.02Å; E26-T173 WeakPolarHBondContact OE1-CG2 3.12Å; E26-T173 PolarHBondContact OE1-OG1 2.98Å; F167-T173 WeakPolarHBondContact O-CA 3.49Å; T173-T202 CarbonylContact O-C 3.56Å; T173-T202 WeakPolarHBondContact O-CA 3.47Å; T173-H203 PolarHBondContact N-O 2.94Å; T173-H203 PolarHBondContact O-N 2.79Å; T173-Y205 HydrophobicContact CG2-CE1 4.31Å
174	G	97	Very high	96.4	Very high	2 Å²	2	44 Å²	44	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	155.6	171.6	0	0	0	0	0	113	H166 F167 Q201	H166-G174 CarbonylContact C-O 3.56Å; H166-G174 WeakPolarHBondContact CA-O 3.37Å; H166-G174 WeakPolarHBondContact CB-O 3.48Å; F167-G174 PolarHBondContact N-O 2.82Å; F167-G174 PolarHBondContact O-N 2.68Å; G174-Q201 CarbonylContact C-O 3.59Å; G174-Q201 WeakPolarHBondContact CA-O 3.48Å
175	R	97.8	Very high	96	Very high	14 Å²	14	46.9 Å²	46.9	5%	0.053	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	131.9	-179.2	178.1	172.2	-72	140.2	-1.3	110.9	P24 E164 S165 H166 R177 Q201	P24-R175 HydrophobicContact CB-CB 3.48Å; P24-R175 VanDerWaalsContact CB-CB 3.48Å; P24-R175 HydrophobicContact CG-CB 4Å; E164-R175 HydrophobicContact CG-CG 4.33Å; E164-R175 WeakPolarHBondContact OE1-CD 3.34Å; E164-R175 WeakPolarHBondContact OE1-CG 3.48Å; E164-R175 IonicContact OE1-CZ 3.16Å; E164-R175 IonicContact OE1-NE 2.69Å; E164-R175 PolarHBondContact OE1-NE 3.35Å; E164-R175 IonicContact OE1-NH2 2.82Å; S165-R175 CarbonylContact O-C 3.37Å; S165-R175 WeakPolarHBondContact O-CA 3.48Å; H166-R175 HydrophobicContact CB-CB 4.14Å; H166-R175 HydrophobicContact CB-CG 4.37Å; R175-R177 HydrophobicContact CG-CG 3.96Å; R175-Q201 PolarHBondContact N-O 2.93Å; R175-Q201 PolarHBondContact O-N 2.91Å
176	W	98	Very high	95.1	Very high	36 Å²	36	48.5 Å²	48.5	14%	0.136	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.4	163.6	178.1	-77.9	0	0	0	109.1	F140 E164 S165 I198 K199 V200 D242 Y245	F140-W176 HydrophobicContact CD1-CG 4.3Å; F140-W176 AromaticContact CE1-CD1 3.48Å; F140-W176 VanDerWaalsContact CE1-CD1 3.48Å; F140-W176 AromaticContact CE1-CD2 3.75Å; F140-W176 HydrophobicContact CE1-CD2 3.75Å; F140-W176 AromaticContact CE1-CE2 3.56Å; F140-W176 AromaticContact CE1-CG 3.72Å; F140-W176 HydrophobicContact CE1-CG 3.72Å; F140-W176 HydrophobicContact CE1-CZ2 4.16Å; F140-W176 AromaticContact CE1-NE1 3.41Å; F140-W176 AromaticContact CZ-CE2 3.91Å; F140-W176 HydrophobicContact CZ-CZ2 4.14Å; F140-W176 AromaticContact CZ-NE1 3.75Å; E164-W176 WeakPolarHBondContact CA-O 3.39Å; S165-W176 PolarHBondContact N-O 3.19Å; S165-W176 PolarHBondContact O-N 3.45Å; W176-I198 HydrophobicContact CD2-CG2 4.3Å; W176-I198 HydrophobicContact CE3-CG2 4.47Å; W176-I198 HydrophobicContact CH2-CG2 3.45Å; W176-I198 VanDerWaalsContact CH2-CG2 3.45Å; W176-I198 HydrophobicContact CZ2-CG2 3.2Å; W176-I198 HydrophobicContact CZ3-CG2 4.07Å; W176-K199 WeakPolarHBondContact CA-O 3.49Å; W176-V200 HydrophobicContact CD2-CG2 4.14Å; W176-V200 HydrophobicContact CE3-CG2 3.32Å; W176-V200 HydrophobicContact CZ3-CG2 3.72Å; W176-D242 HydrophobicContact CH2-CB 4.2Å; W176-D242 HydrophobicContact CZ2-CB 4.13Å; W176-Y245 AromaticContact CH2-CD1 3.73Å; W176-Y245 HydrophobicContact CH2-CD1 3.73Å; W176-Y245 HydrophobicContact CH2-CE1 4.29Å; W176-Y245 AromaticContact CZ3-CD1 3.9Å; W176-Y245 HydrophobicContact CZ3-CD1 3.9Å; W176-Y245 HydrophobicContact CZ3-CE1 4.14Å
177	R	98.1	Very high	93.8	Very high	23 Å²	23	55.9 Å²	55.9	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.4	168.6	-71.2	168.9	-67.7	174.3	-8.6	108.6	D58 M60 I163 E164 R175 I198 K199	D58-R177 WeakPolarHBondContact O-CD 3.4Å; D58-R177 PolarHBondContact O-NH1 2.96Å; M60-R177 HydrophobicContact CG-CG 4.48Å; M60-R177 HydrophobicContact SD-CB 4.1Å; M60-R177 HydrophobicContact SD-CG 4.09Å; I163-R177 CarbonylContact O-C 3.52Å; I163-R177 WeakPolarHBondContact O-CA 3.43Å; E164-R177 HydrophobicContact CG-CG 4.2Å; R175-R177 HydrophobicContact CG-CG 3.96Å; R177-I198 CarbonylContact O-C 3.58Å; R177-K199 HydrophobicContact CB-CB 4.46Å; R177-K199 PolarHBondContact N-O 3Å; R177-K199 PolarHBondContact O-N 3.3Å
178	S	98.2	Very high	92.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.5	166.2	65.5	0	0	0	0	110.9	C162 I163 W180 V197	C162-S178 WeakPolarHBondContact CA-O 3.45Å; I163-S178 WeakPolarHBondContact CB-OG 3.43Å; I163-S178 PolarHBondContact N-O 3.28Å; I163-S178 PolarHBondContact O-N 3.17Å; S178-W180 PolarHBondContact OG-NE1 3.43Å; S178-V197 VanDerWaalsContact CA-O 3.29Å; S178-V197 WeakPolarHBondContact CA-O 2.95Å
179	E	98.5	Very high	91.3	Very high	55 Å²	55	61.6 Å²	61.6	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.7	175.7	-170.1	176.8	112.6	0	0	109.1	M60 Y77 V160 G196 V197	M60-E179 HydrophobicContact CE-CB 4.03Å; M60-E179 HydrophobicContact CE-CG 4.49Å; Y77-E179 HydrophobicContact CE2-CG 4.28Å; Y77-E179 WeakPolarHBondContact CE2-OE2 3.32Å; Y77-E179 PolarHBondContact OH-OE1 3.48Å; Y77-E179 PolarHBondContact OH-OE2 2.94Å; V160-E179 HydrophobicContact CG1-CG 4.17Å; E179-G196 CarbonylContact O-C 3.51Å; E179-G196 VanDerWaalsContact O-CA 3.25Å; E179-G196 WeakPolarHBondContact O-CA 3.45Å; E179-V197 PolarHBondContact N-O 3.05Å; E179-V197 PolarHBondContact O-N 2.91Å
180	W	98.7	Very high	90.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.2	-179	-62.2	90.6	0	0	0	109.5	V160 M161 S178 F182 I194 H195 I198 V218 F220 I238 A241	V160-W180 CarbonylContact C-O 3.6Å; V160-W180 WeakPolarHBondContact CA-O 3.12Å; M161-W180 HydrophobicContact CB-CB 4.32Å; M161-W180 HydrophobicContact CE-CB 4.12Å; M161-W180 HydrophobicContact CE-CG 3.9Å; M161-W180 PolarHBondContact N-O 3.03Å; M161-W180 PolarHBondContact O-N 3.22Å; S178-W180 PolarHBondContact OG-NE1 3.43Å; W180-F182 HydrophobicContact CB-CD2 4.46Å; W180-F182 HydrophobicContact CB-CE2 3.63Å; W180-F182 HydrophobicContact CB-CZ 4.16Å; W180-F182 WeakPolarHBondContact O-CD2 3.21Å; W180-F182 WeakPolarHBondContact O-CE2 3.45Å; W180-I194 HydrophobicContact CE3-CG2 3.92Å; W180-H195 WeakPolarHBondContact CA-O 3.35Å; W180-I198 HydrophobicContact CH2-CD1 4.44Å; W180-I198 HydrophobicContact CZ2-CD1 4.15Å; W180-I198 HydrophobicContact CZ2-CG1 4.03Å; W180-V218 HydrophobicContact CH2-CB 4.04Å; W180-V218 HydrophobicContact CH2-CG1 4.3Å; W180-V218 HydrophobicContact CH2-CG2 4.43Å; W180-V218 HydrophobicContact CZ3-CB 4.09Å; W180-V218 HydrophobicContact CZ3-CG1 4.3Å; W180-F220 HydrophobicContact CE3-CE1 4.14Å; W180-F220 HydrophobicContact CH2-CE1 4.41Å; W180-F220 HydrophobicContact CZ3-CD1 4.48Å; W180-F220 AromaticContact CZ3-CE1 3.59Å; W180-F220 HydrophobicContact CZ3-CE1 3.59Å; W180-F220 HydrophobicContact CZ3-CZ 4.37Å; W180-I238 HydrophobicContact CB-CD1 4.37Å; W180-I238 HydrophobicContact CD2-CD1 3.69Å; W180-I238 HydrophobicContact CD2-CG1 3.74Å; W180-I238 HydrophobicContact CD2-CG2 4.43Å; W180-I238 HydrophobicContact CE3-CD1 4.03Å; W180-I238 HydrophobicContact CE3-CG1 3.8Å; W180-I238 HydrophobicContact CG-CD1 3.84Å; W180-I238 HydrophobicContact CG-CG1 4.41Å; W180-I238 HydrophobicContact CH2-CB 4.47Å; W180-I238 HydrophobicContact CH2-CG1 3.99Å; W180-I238 HydrophobicContact CH2-CG2 4.45Å; W180-I238 HydrophobicContact CZ2-CB 4.14Å; W180-I238 HydrophobicContact CZ2-CG1 3.91Å; W180-I238 HydrophobicContact CZ2-CG2 3.66Å; W180-I238 HydrophobicContact CZ3-CG1 3.95Å; W180-A241 HydrophobicContact CH2-CB 4.02Å
181	T	98.4	Very high	90.9	Very high	21 Å²	21	53.6 Å²	53.6	13%	0.129	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.1	178.4	-61.5	0	0	0	0	110.1	V160 K183 I194 H195	V160-T181 HydrophobicContact CG2-CG2 4.4Å; T181-K183 HydrophobicContact CG2-CG 3.89Å; T181-I194 WeakPolarHBondContact O-CA 3.43Å; T181-H195 PolarHBondContact N-O 3.15Å; T181-H195 PolarHBondContact O-N 3.35Å
182	F	97.9	Very high	91	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	98.8	178.9	-56.1	-109.5	0	0	0	108.6	L128 S158 L159 M161 W180 F192 I194 F230 I238	L128-F182 HydrophobicContact CD1-CE1 4.38Å; L128-F182 HydrophobicContact CD1-CZ 4.07Å; L128-F182 HydrophobicContact CD2-CD2 4.03Å; L128-F182 HydrophobicContact CD2-CE1 4.21Å; L128-F182 HydrophobicContact CD2-CE2 3.65Å; L128-F182 HydrophobicContact CD2-CG 4.49Å; L128-F182 HydrophobicContact CD2-CZ 3.75Å; S158-F182 CarbonylContact C-O 3.55Å; S158-F182 WeakPolarHBondContact CA-O 3.43Å; S158-F182 WeakPolarHBondContact CB-O 3.46Å; L159-F182 HydrophobicContact CB-CB 4.02Å; L159-F182 HydrophobicContact CB-CD2 4.19Å; L159-F182 HydrophobicContact CB-CG 4.33Å; L159-F182 PolarHBondContact N-O 3.05Å; L159-F182 PolarHBondContact O-N 3.38Å; M161-F182 HydrophobicContact CB-CE2 4.03Å; W180-F182 HydrophobicContact CB-CD2 4.46Å; W180-F182 HydrophobicContact CB-CE2 3.63Å; W180-F182 HydrophobicContact CB-CZ 4.16Å; W180-F182 WeakPolarHBondContact O-CD2 3.21Å; W180-F182 WeakPolarHBondContact O-CE2 3.45Å; F182-F192 HydrophobicContact CB-CB 4.34Å; F182-F192 HydrophobicContact CB-CD1 3.8Å; F182-F192 HydrophobicContact CB-CG 4.38Å; F182-I194 HydrophobicContact CB-CG1 4.37Å; F182-I194 HydrophobicContact CD1-CB 4.28Å; F182-I194 HydrophobicContact CD1-CD1 4.2Å; F182-I194 HydrophobicContact CD1-CG1 3.21Å; F182-I194 HydrophobicContact CD1-CG2 4.11Å; F182-I194 HydrophobicContact CE1-CB 4.49Å; F182-I194 HydrophobicContact CE1-CG1 3.6Å; F182-I194 HydrophobicContact CE1-CG2 4Å; F182-I194 HydrophobicContact CG-CG1 3.95Å; F182-I194 HydrophobicContact CG-CG2 4.43Å; F182-I194 HydrophobicContact CZ-CG2 4.23Å; F182-F230 HydrophobicContact CD1-CE1 4.42Å; F182-F230 HydrophobicContact CD1-CE2 4.44Å; F182-F230 AromaticContact CD1-CZ 3.64Å; F182-F230 HydrophobicContact CD1-CZ 3.64Å; F182-F230 HydrophobicContact CE1-CZ 4.17Å; F182-F230 HydrophobicContact CG-CZ 4.47Å; F182-I238 HydrophobicContact CZ-CD1 3.93Å
183	K	96.4	Very high	91.1	Very high	126 Å²	126	51.7 Å²	51.7	55%	0.548	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.6	179.5	-61.5	-177.6	-179.6	173.4	0	110	T181 V185 F192 S193	T181-K183 HydrophobicContact CG2-CG 3.89Å; K183-V185 PolarHBondContact O-N 2.82Å; K183-F192 CarbonylContact O-C 3.57Å; K183-F192 VanDerWaalsContact O-CA 3.28Å; K183-F192 WeakPolarHBondContact O-CA 3.39Å; K183-S193 PolarHBondContact N-O 3.42Å; K183-S193 PolarHBondContact O-N 3.21Å
184	L	94.1	Very high	91.1	Very high	34 Å²	34	51.7 Å²	51.7	18%	0.178	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	122.5	177.1	-176.3	68.5	0	0	0	110	R157 M190 F192	R157-L184 HydrophobicContact CB-CB 4.41Å; R157-L184 HydrophobicContact CB-CD2 4.43Å; R157-L184 PolarHBondContact O-N 2.95Å; L184-M190 HydrophobicContact CD1-SD 3.96Å; L184-F192 HydrophobicContact CB-CD1 4.26Å; L184-F192 HydrophobicContact CB-CE1 3.96Å; L184-F192 HydrophobicContact CB-CZ 4.47Å; L184-F192 HydrophobicContact CD1-CD1 4.4Å; L184-F192 HydrophobicContact CD1-CD2 4.27Å; L184-F192 HydrophobicContact CD1-CE1 3.99Å; L184-F192 HydrophobicContact CD1-CE2 3.83Å; L184-F192 HydrophobicContact CD1-CZ 3.68Å
185	V	89.3	Confident	91.2	Very high	62 Å²	62	54.4 Å²	54.4	38%	0.376	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.3	179.7	-175.7	0	0	0	0	109.1	K183 E191	K183-V185 PolarHBondContact O-N 2.82Å; V185-E191 HydrophobicContact CB-CB 4.46Å; V185-E191 HydrophobicContact CB-CG 4.28Å; V185-E191 PolarHBondContact N-O 3.41Å
186	G	78	Confident	91.2	Very high	47 Å²	47	53.7 Å²	53.7	49%	0.485	28%	0.276	S	S	.	.	S	Bend	trans	90.4	171.2	177.4	0	0	0	0	0	114.5
187	Q	68.6	Low	91.2	Very high	200 Å²	200	53.2 Å²	53.2	94%	0.935	28%	0.277	S	S	*	.	S	Bend	trans	-101.5	-18.5	-174.9	-69.2	-171.8	-28	0	0	114.2
188	K	66.2	Low	91.2	Very high	213 Å²	213	52.1 Å²	52.1	93%	0.926	27%	0.273	S	S	*	.	S	Bend	trans	-119.2	-23.2	-171.1	-67.3	-175	179.3	179.3	0	114.2
189	S	71.7	Confident	91.2	Very high	69 Å²	69	56.8 Å²	56.8	48%	0.483	29%	0.293	S	S	.	.	S	Bend	trans	-105.7	134.4	176.4	46.3	0	0	0	0	109.5	E191	S189-E191 PolarHBondContact O-N 3.19Å
190	M	82.9	Confident	91.2	Very high	76 Å²	76	55.2 Å²	55.2	37%	0.374	29%	0.287	S	S	.	.			trans	-82.1	71.5	171.9	-67.9	-67.4	179	0	0	109.3	W124 L184 E224	W124-M190 HydrophobicContact CH2-CB 3.51Å; W124-M190 HydrophobicContact CH2-CG 3.76Å; W124-M190 HydrophobicContact CH2-SD 4.34Å; W124-M190 HydrophobicContact CZ2-CB 3.85Å; W124-M190 HydrophobicContact CZ2-CE 4.39Å; W124-M190 HydrophobicContact CZ2-CG 3.52Å; W124-M190 HydrophobicContact CZ2-SD 3.8Å; W124-M190 HydrophobicContact CZ3-CB 4.27Å; L184-M190 HydrophobicContact CD1-SD 3.96Å; M190-E224 WeakPolarHBondContact CB-O 3.42Å; M190-E224 PolarHBondContact O-N 3.06Å; M190-E224 VanDerWaalsContact O-O 3.1Å
191	E	92.9	Very high	91.1	Very high	61 Å²	61	56.1 Å²	56.1	29%	0.285	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.7	172.5	176.7	166.1	108.9	0	0	108.8	V185 S189 I221 S223	V185-E191 HydrophobicContact CB-CB 4.46Å; V185-E191 HydrophobicContact CB-CG 4.28Å; V185-E191 PolarHBondContact N-O 3.41Å; S189-E191 PolarHBondContact O-N 3.19Å; E191-I221 HydrophobicContact CG-CG2 3.68Å; E191-S223 VanDerWaalsContact CG-OG 3.27Å; E191-S223 WeakPolarHBondContact CG-OG 3.38Å; E191-S223 PolarHBondContact OE2-OG 3.41Å
192	F	95.4	Very high	91.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.8	175.3	-68.7	-98	0	0	0	109.7	L121 W124 L159 F182 K183 L184 I194 I221 V222 F230	L121-F192 HydrophobicContact CD2-CZ 4.14Å; W124-F192 HydrophobicContact CD2-CE2 4.28Å; W124-F192 HydrophobicContact CD2-CZ 4.4Å; W124-F192 AromaticContact CE3-CE2 3.69Å; W124-F192 HydrophobicContact CE3-CE2 3.69Å; W124-F192 HydrophobicContact CE3-CZ 4.17Å; W124-F192 AromaticContact CZ3-CE2 3.84Å; W124-F192 HydrophobicContact CZ3-CE2 3.84Å; L159-F192 HydrophobicContact CD1-CE1 4.43Å; L159-F192 HydrophobicContact CG-CE1 4.45Å; F182-F192 HydrophobicContact CB-CB 4.34Å; F182-F192 HydrophobicContact CB-CD1 3.8Å; F182-F192 HydrophobicContact CB-CG 4.38Å; K183-F192 CarbonylContact O-C 3.57Å; K183-F192 VanDerWaalsContact O-CA 3.28Å; K183-F192 WeakPolarHBondContact O-CA 3.39Å; L184-F192 HydrophobicContact CB-CD1 4.26Å; L184-F192 HydrophobicContact CB-CE1 3.96Å; L184-F192 HydrophobicContact CB-CZ 4.47Å; L184-F192 HydrophobicContact CD1-CD1 4.4Å; L184-F192 HydrophobicContact CD1-CD2 4.27Å; L184-F192 HydrophobicContact CD1-CE1 3.99Å; L184-F192 HydrophobicContact CD1-CE2 3.83Å; L184-F192 HydrophobicContact CD1-CZ 3.68Å; F192-I194 HydrophobicContact CB-CD1 4.1Å; F192-I194 WeakPolarHBondContact O-CD1 3.33Å; F192-I221 WeakPolarHBondContact O-CA 3.29Å; F192-V222 PolarHBondContact N-O 3.22Å; F192-V222 PolarHBondContact O-N 3.44Å; F192-F230 HydrophobicContact CB-CE2 3.87Å; F192-F230 HydrophobicContact CB-CZ 4.22Å; F192-F230 HydrophobicContact CD1-CZ 4.4Å; F192-F230 AromaticContact CD2-CD2 3.99Å; F192-F230 HydrophobicContact CD2-CD2 3.99Å; F192-F230 AromaticContact CD2-CE2 3.31Å; F192-F230 HydrophobicContact CD2-CE2 3.31Å; F192-F230 AromaticContact CD2-CZ 3.7Å; F192-F230 HydrophobicContact CD2-CZ 3.7Å; F192-F230 HydrophobicContact CE2-CD2 4.44Å; F192-F230 AromaticContact CE2-CE2 3.99Å; F192-F230 HydrophobicContact CE2-CE2 3.99Å; F192-F230 HydrophobicContact CE2-CZ 4.11Å; F192-F230 AromaticContact CG-CE2 3.71Å; F192-F230 HydrophobicContact CG-CE2 3.71Å; F192-F230 AromaticContact CG-CZ 3.85Å; F192-F230 HydrophobicContact CG-CZ 3.85Å
193	S	96.9	Very high	91.1	Very high	46 Å²	46	57.7 Å²	57.7	32%	0.322	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.7	163.3	-176.5	0	0	0	0	107.9	K183	K183-S193 PolarHBondContact N-O 3.42Å; K183-S193 PolarHBondContact O-N 3.21Å
194	I	98.2	Very high	91.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.2	-175.6	-56.4	89.4	0	0	0	109	W180 T181 F182 F192 D219 F220 V222	W180-I194 HydrophobicContact CE3-CG2 3.92Å; T181-I194 WeakPolarHBondContact O-CA 3.43Å; F182-I194 HydrophobicContact CB-CG1 4.37Å; F182-I194 HydrophobicContact CD1-CB 4.28Å; F182-I194 HydrophobicContact CD1-CD1 4.2Å; F182-I194 HydrophobicContact CD1-CG1 3.21Å; F182-I194 HydrophobicContact CD1-CG2 4.11Å; F182-I194 HydrophobicContact CE1-CB 4.49Å; F182-I194 HydrophobicContact CE1-CG1 3.6Å; F182-I194 HydrophobicContact CE1-CG2 4Å; F182-I194 HydrophobicContact CG-CG1 3.95Å; F182-I194 HydrophobicContact CG-CG2 4.43Å; F182-I194 HydrophobicContact CZ-CG2 4.23Å; F192-I194 HydrophobicContact CB-CD1 4.1Å; F192-I194 WeakPolarHBondContact O-CD1 3.33Å; I194-D219 VanDerWaalsContact O-CA 3.32Å; I194-D219 WeakPolarHBondContact O-CA 3.14Å; I194-F220 WeakPolarHBondContact CA-O 3.42Å; I194-F220 HydrophobicContact CB-CD2 4.09Å; I194-F220 HydrophobicContact CB-CE1 4.3Å; I194-F220 HydrophobicContact CB-CE2 3.81Å; I194-F220 HydrophobicContact CB-CG 4.43Å; I194-F220 HydrophobicContact CB-CZ 3.91Å; I194-F220 WeakPolarHBondContact CB-O 3.46Å; I194-F220 HydrophobicContact CD1-CD2 3.81Å; I194-F220 HydrophobicContact CD1-CE2 3.69Å; I194-F220 WeakPolarHBondContact CD1-O 3.37Å; I194-F220 HydrophobicContact CG1-CD2 4.28Å; I194-F220 HydrophobicContact CG1-CE2 3.81Å; I194-F220 HydrophobicContact CG1-CZ 4.25Å; I194-F220 HydrophobicContact CG2-CE1 3.97Å; I194-F220 HydrophobicContact CG2-CE2 4.06Å; I194-F220 HydrophobicContact CG2-CZ 3.64Å; I194-F220 PolarHBondContact N-O 3.32Å; I194-F220 PolarHBondContact O-N 3.24Å; I194-V222 HydrophobicContact CD1-CB 3.92Å; I194-V222 HydrophobicContact CD1-CG2 3.8Å
195	H	98.6	Very high	91.1	Very high	59 Å²	59	57.5 Å²	57.5	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.8	170.7	176.8	75.1	0	0	0	109	W180 T181 V197 E217 D219	W180-H195 WeakPolarHBondContact CA-O 3.35Å; T181-H195 PolarHBondContact N-O 3.15Å; T181-H195 PolarHBondContact O-N 3.35Å; H195-V197 WeakPolarHBondContact NE2-CG2 3.46Å; H195-E217 IonicContact CE1-OE2 2.55Å; H195-D219 WeakPolarHBondContact CB-OD1 3.42Å; H195-D219 IonicContact CE1-OD1 3.05Å; H195-D219 IonicContact CG-OD1 2.94Å; H195-D219 IonicContact ND1-OD1 2.77Å; H195-D219 PolarHBondContact ND1-OD1 2.96Å; H195-D219 IonicContact ND1-OD2 3.29Å
196	G	98.5	Very high	91.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.2	-179.2	0	0	0	0	0	112.5	E179 E217 V218	E179-G196 CarbonylContact O-C 3.51Å; E179-G196 VanDerWaalsContact O-CA 3.25Å; E179-G196 WeakPolarHBondContact O-CA 3.45Å; G196-E217 CarbonylContact O-C 3.59Å; G196-E217 VanDerWaalsContact O-CA 3.25Å; G196-E217 WeakPolarHBondContact O-CA 3.17Å; G196-V218 PolarHBondContact N-O 3.1Å; G196-V218 PolarHBondContact O-N 3.43Å
197	V	98.6	Very high	92	Very high	26 Å²	26	67.4 Å²	67.4	16%	0.158	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.7	171.1	-172.4	0	0	0	0	108.7	S178 E179 H195 K199 E217	S178-V197 VanDerWaalsContact CA-O 3.29Å; S178-V197 WeakPolarHBondContact CA-O 2.95Å; E179-V197 PolarHBondContact N-O 3.05Å; E179-V197 PolarHBondContact O-N 2.91Å; H195-V197 WeakPolarHBondContact NE2-CG2 3.46Å; V197-K199 HydrophobicContact CG1-CG 4.19Å; V197-E217 HydrophobicContact CG2-CG 4.27Å
198	I	98.3	Very high	93.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.2	176.6	-51.7	161.6	0	0	0	108.2	W176 R177 W180 S215 K216 V218 D242 Y245	W176-I198 HydrophobicContact CD2-CG2 4.3Å; W176-I198 HydrophobicContact CE3-CG2 4.47Å; W176-I198 HydrophobicContact CH2-CG2 3.45Å; W176-I198 VanDerWaalsContact CH2-CG2 3.45Å; W176-I198 HydrophobicContact CZ2-CG2 3.2Å; W176-I198 HydrophobicContact CZ3-CG2 4.07Å; R177-I198 CarbonylContact O-C 3.58Å; W180-I198 HydrophobicContact CH2-CD1 4.44Å; W180-I198 HydrophobicContact CZ2-CD1 4.15Å; W180-I198 HydrophobicContact CZ2-CG1 4.03Å; I198-S215 CarbonylContact O-C 3.56Å; I198-S215 WeakPolarHBondContact O-CA 3.43Å; I198-K216 PolarHBondContact N-O 3.29Å; I198-K216 PolarHBondContact O-N 3.13Å; I198-V218 HydrophobicContact CD1-CG2 4.26Å; I198-D242 WeakPolarHBondContact CD1-OD1 3.26Å; I198-Y245 HydrophobicContact CB-CD1 4.2Å; I198-Y245 HydrophobicContact CB-CE1 4.16Å; I198-Y245 HydrophobicContact CD1-CD1 4.35Å; I198-Y245 HydrophobicContact CG2-CD1 3.55Å; I198-Y245 HydrophobicContact CG2-CE1 3.5Å; I198-Y245 VanDerWaalsContact CG2-CE1 3.5Å
199	K	98	Very high	94.6	Very high	98 Å²	98	55.2 Å²	55.2	43%	0.426	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.8	179.8	-62	179.6	-176.4	172.7	0	110.1	W176 R177 V197 S214	W176-K199 WeakPolarHBondContact CA-O 3.49Å; R177-K199 HydrophobicContact CB-CB 4.46Å; R177-K199 PolarHBondContact N-O 3Å; R177-K199 PolarHBondContact O-N 3.3Å; V197-K199 HydrophobicContact CG1-CG 4.19Å; K199-S214 CarbonylContact C-O 3.5Å; K199-S214 WeakPolarHBondContact CA-O 3.13Å
200	V	97.4	Very high	95.7	Very high	21 Å²	21	56.4 Å²	56.4	13%	0.127	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.6	173.5	173.3	0	0	0	0	108.4	W176 T202 L212 S214 Y245 I249	W176-V200 HydrophobicContact CD2-CG2 4.14Å; W176-V200 HydrophobicContact CE3-CG2 3.32Å; W176-V200 HydrophobicContact CZ3-CG2 3.72Å; V200-T202 HydrophobicContact CG1-CG2 4.2Å; V200-L212 HydrophobicContact CG1-CD2 4.18Å; V200-S214 PolarHBondContact N-O 3.23Å; V200-S214 PolarHBondContact O-N 3.15Å; V200-Y245 HydrophobicContact CG2-CE1 3.84Å; V200-I249 HydrophobicContact CG2-CD1 4.43Å
201	Q	97.7	Very high	96.4	Very high	20 Å²	20	56.6 Å²	56.6	9%	0.093	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.4	173	-174	172.5	5.5	0	0	108.9	P24 G174 R175 L212 I213	P24-Q201 HydrophobicContact CG-CB 4.38Å; P24-Q201 HydrophobicContact CG-CG 4.13Å; G174-Q201 CarbonylContact C-O 3.59Å; G174-Q201 WeakPolarHBondContact CA-O 3.48Å; R175-Q201 PolarHBondContact N-O 2.93Å; R175-Q201 PolarHBondContact O-N 2.91Å; Q201-L212 CarbonylContact C-O 3.47Å; Q201-L212 WeakPolarHBondContact CA-O 3.33Å; Q201-I213 HydrophobicContact CG-CG1 4.29Å
202	T	96.9	Very high	96.6	Very high	42 Å²	42	55.5 Å²	55.5	26%	0.258	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.5	172	71.1	0	0	0	0	110	T173 V200 Q211 L212	T173-T202 CarbonylContact O-C 3.56Å; T173-T202 WeakPolarHBondContact O-CA 3.47Å; V200-T202 HydrophobicContact CG1-CG2 4.2Å; T202-Q211 CarbonylContact O-C 3.56Å; T202-Q211 VanDerWaalsContact O-CA 3.23Å; T202-Q211 WeakPolarHBondContact O-CA 3.47Å; T202-L212 PolarHBondContact N-O 3.25Å; T202-L212 PolarHBondContact O-N 3.36Å; T202-L212 VanDerWaalsContact OG1-CB 3.3Å; T202-L212 WeakPolarHBondContact OG1-CB 3.22Å
203	H	97.8	Very high	96.6	Very high	12 Å²	12	61.5 Å²	61.5	6%	0.056	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.1	176.8	-177.1	-146.6	0	0	0	108.9	P23 E26 S172 T173 Y205 N209 Q211	P23-H203 HydrophobicContact CB-CB 4.07Å; E26-H203 IonicContact OE1-CE1 3.16Å; E26-H203 IonicContact OE1-CG 3.73Å; E26-H203 IonicContact OE1-ND1 2.68Å; E26-H203 PolarHBondContact OE1-ND1 2.75Å; E26-H203 IonicContact OE2-CE1 3.56Å; E26-H203 PolarHBondContact OE2-CE1 2.84Å; E26-H203 IonicContact OE2-ND1 2.9Å; E26-H203 PolarHBondContact OE2-ND1 2.89Å; S172-H203 CarbonylContact C-O 3.59Å; S172-H203 VanDerWaalsContact CA-O 3.23Å; S172-H203 WeakPolarHBondContact CA-O 3.36Å; S172-H203 PolarHBondContact OG-O 3.31Å; T173-H203 PolarHBondContact N-O 2.94Å; T173-H203 PolarHBondContact O-N 2.79Å; H203-Y205 AromaticContact CE1-CD1 3.58Å; H203-Y205 AromaticContact CE1-CG 3.96Å; H203-Y205 AromaticContact CG-CD1 3.96Å; H203-Y205 AromaticContact ND1-CD1 3.47Å; H203-Y205 WeakPolarHBondContact ND1-CD1 3.39Å; H203-N209 PolarHBondContact CD2-OD1 3.32Å; H203-N209 VanDerWaalsContact CD2-OD1 3.26Å; H203-N209 PolarHBondContact NE2-OD1 3.07Å; H203-Q211 HydrophobicContact CB-CG 4.23Å; H203-Q211 VanDerWaalsContact CD2-CG 3.44Å; H203-Q211 WeakPolarHBondContact CD2-CG 3.3Å
204	L	96.6	Very high	96.6	Very high	76 Å²	76	60.9 Å²	60.9	40%	0.398	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.9	173.1	175.5	71.3	0	0	0	107.1	E206 V210	L204-E206 HydrophobicContact CD1-CB 4.42Å; L204-V210 HydrophobicContact CB-CB 4.46Å; L204-V210 PolarHBondContact N-O 3.18Å; L204-V210 PolarHBondContact O-N 3.45Å
205	Y	95.4	Very high	96.6	Very high	80 Å²	80	64.9 Å²	64.9	31%	0.314	35%	0.346	S	S	.	.			trans	-129.1	26.2	-172.7	55.7	-85.6	0	0	0	113.5	E26 Q171 T173 H203 G208	E26-Y205 WeakPolarHBondContact OE1-CE1 3.38Å; Q171-Y205 VanDerWaalsContact C-CE1 3.44Å; Q171-Y205 VanDerWaalsContact CA-CZ 3.45Å; Q171-Y205 HydrophobicContact CB-CD2 4.14Å; Q171-Y205 HydrophobicContact CB-CE2 4.08Å; Q171-Y205 HydrophobicContact CG-CD2 4.17Å; Q171-Y205 HydrophobicContact CG-CE2 3.98Å; Q171-Y205 WeakPolarHBondContact O-CD1 3.15Å; Q171-Y205 PolarHBondContact O-N 2.82Å; T173-Y205 HydrophobicContact CG2-CE1 4.31Å; H203-Y205 AromaticContact CE1-CD1 3.58Å; H203-Y205 AromaticContact CE1-CG 3.96Å; H203-Y205 AromaticContact CG-CD1 3.96Å; H203-Y205 AromaticContact ND1-CD1 3.47Å; H203-Y205 WeakPolarHBondContact ND1-CD1 3.39Å; Y205-G208 CarbonylContact C-O 3.52Å; Y205-G208 WeakPolarHBondContact CA-O 3.36Å
206	E	93.2	Very high	96.6	Very high	116 Å²	116	65.3 Å²	65.3	54%	0.542	35%	0.347	S	S	.	.	S	Bend	trans	-79.3	115.2	168.2	-177.4	168.7	-151.9	0	0	109.5	Q171 L204 G208	Q171-E206 HydrophobicContact CB-CB 4.01Å; L204-E206 HydrophobicContact CD1-CB 4.42Å; E206-G208 PolarHBondContact O-N 3.33Å
207	E	92.6	Very high	96.6	Very high	201 Å²	201	71.6 Å²	71.6	94%	0.939	38%	0.376	S	S	*	.	S	Bend	trans	54.3	19.4	179.4	-56.6	-170.8	160.8	0	0	115.6
208	G	93.9	Very high	96.6	Very high	47 Å²	47	71.5 Å²	71.5	49%	0.485	38%	0.376	S	S	.	.	S	Bend	trans	179.9	-166.4	-177.1	0	0	0	0	0	111.5	Y205 E206	Y205-G208 CarbonylContact C-O 3.52Å; Y205-G208 WeakPolarHBondContact CA-O 3.36Å; E206-G208 PolarHBondContact O-N 3.33Å
209	N	95.1	Very high	96.6	Very high	109 Å²	109	76.6 Å²	76.6	58%	0.583	40%	0.403	S	S	*	.			trans	-139.7	112.4	171.1	175.2	-1.3	0	0	0	108	H203	H203-N209 PolarHBondContact CD2-OD1 3.32Å; H203-N209 VanDerWaalsContact CD2-OD1 3.26Å; H203-N209 PolarHBondContact NE2-OD1 3.07Å
210	V	95.6	Very high	96.6	Very high	94 Å²	94	73.3 Å²	73.3	57%	0.57	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.6	176.7	-177.5	0	0	0	0	108.4	L204	L204-V210 HydrophobicContact CB-CB 4.46Å; L204-V210 PolarHBondContact N-O 3.18Å; L204-V210 PolarHBondContact O-N 3.45Å
211	Q	96.6	Very high	96.5	Very high	80 Å²	80	76.8 Å²	76.8	37%	0.374	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.7	176.1	-66.2	-174.9	11.9	0	0	111.3	T202 H203	T202-Q211 CarbonylContact O-C 3.56Å; T202-Q211 VanDerWaalsContact O-CA 3.23Å; T202-Q211 WeakPolarHBondContact O-CA 3.47Å; H203-Q211 HydrophobicContact CB-CG 4.23Å; H203-Q211 VanDerWaalsContact CD2-CG 3.44Å; H203-Q211 WeakPolarHBondContact CD2-CG 3.3Å
212	L	96.2	Very high	96.4	Very high	38 Å²	38	76.1 Å²	76.1	20%	0.199	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.4	162.3	174.3	66.4	0	0	0	107.1	V200 Q201 T202 F253	V200-L212 HydrophobicContact CG1-CD2 4.18Å; Q201-L212 CarbonylContact C-O 3.47Å; Q201-L212 WeakPolarHBondContact CA-O 3.33Å; T202-L212 PolarHBondContact N-O 3.25Å; T202-L212 PolarHBondContact O-N 3.36Å; T202-L212 VanDerWaalsContact OG1-CB 3.3Å; T202-L212 WeakPolarHBondContact OG1-CB 3.22Å; L212-F253 HydrophobicContact CD1-CE2 4.35Å; L212-F253 HydrophobicContact CD1-CZ 3.82Å; L212-F253 HydrophobicContact CD2-CE2 3.86Å; L212-F253 HydrophobicContact CD2-CZ 3.8Å; L212-F253 HydrophobicContact CG-CZ 4.26Å
213	I	96.9	Very high	96.3	Very high	127 Å²	127	77.2 Å²	77.2	65%	0.651	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.5	169.2	-56.8	173.2	0	0	0	105.9	Q201	Q201-I213 HydrophobicContact CG-CG1 4.29Å
214	S	97.4	Very high	96	Very high	33 Å²	33	79.8 Å²	79.8	23%	0.231	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.8	-176.1	-177.3	0	0	0	0	110.5	K199 V200 Y245	K199-S214 CarbonylContact C-O 3.5Å; K199-S214 WeakPolarHBondContact CA-O 3.13Å; V200-S214 PolarHBondContact N-O 3.23Å; V200-S214 PolarHBondContact O-N 3.15Å; S214-Y245 VanDerWaalsContact CB-OH 3.24Å; S214-Y245 WeakPolarHBondContact CB-OH 3.3Å; S214-Y245 PolarHBondContact O-OH 3.26Å; S214-Y245 PolarHBondContact OG-OH 2.96Å
215	S	97.5	Very high	95.7	Very high	83 Å²	83	80.5 Å²	80.5	58%	0.58	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.1	175.4	61.1	0	0	0	0	112	I198 Y245	I198-S215 CarbonylContact O-C 3.56Å; I198-S215 WeakPolarHBondContact O-CA 3.43Å; S215-Y245 PolarHBondContact N-OH 2.76Å
216	K	98	Very high	95.7	Very high	69 Å²	69	81.5 Å²	81.5	30%	0.3	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	134.5	173.8	-177.7	176.3	176.7	-172.9	0	110.4	I198 V218 Y245	I198-K216 PolarHBondContact N-O 3.29Å; I198-K216 PolarHBondContact O-N 3.13Å; K216-V218 HydrophobicContact CD-CG2 4.45Å; K216-V218 HydrophobicContact CG-CG2 4.22Å; K216-Y245 HydrophobicContact CB-CD2 3.71Å; K216-Y245 HydrophobicContact CB-CE2 3.62Å; K216-Y245 HydrophobicContact CB-CG 4.31Å; K216-Y245 HydrophobicContact CD-CD2 3.48Å; K216-Y245 VanDerWaalsContact CD-CD2 3.48Å; K216-Y245 HydrophobicContact CD-CE2 4.23Å; K216-Y245 HydrophobicContact CD-CG 3.95Å; K216-Y245 HydrophobicContact CG-CD2 4.24Å
217	E	98.5	Very high	95.8	Very high	131 Å²	131	77.4 Å²	77.4	61%	0.612	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	144.9	172.9	-61.5	-177.9	-165.4	0	0	110.2	H195 G196 V197	H195-E217 IonicContact CE1-OE2 2.55Å; G196-E217 CarbonylContact O-C 3.59Å; G196-E217 VanDerWaalsContact O-CA 3.25Å; G196-E217 WeakPolarHBondContact O-CA 3.17Å; V197-E217 HydrophobicContact CG2-CG 4.27Å
218	V	98.3	Very high	96.1	Very high	25 Å²	25	78 Å²	78	15%	0.152	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	128.2	-176.6	-175.8	0	0	0	0	109.8	W180 G196 I198 K216 F220 A241	W180-V218 HydrophobicContact CH2-CB 4.04Å; W180-V218 HydrophobicContact CH2-CG1 4.3Å; W180-V218 HydrophobicContact CH2-CG2 4.43Å; W180-V218 HydrophobicContact CZ3-CB 4.09Å; W180-V218 HydrophobicContact CZ3-CG1 4.3Å; G196-V218 PolarHBondContact N-O 3.1Å; G196-V218 PolarHBondContact O-N 3.43Å; I198-V218 HydrophobicContact CD1-CG2 4.26Å; K216-V218 HydrophobicContact CD-CG2 4.45Å; K216-V218 HydrophobicContact CG-CG2 4.22Å; V218-F220 HydrophobicContact CG1-CD1 4.26Å; V218-A241 HydrophobicContact CG1-CB 3.96Å; V218-A241 HydrophobicContact CG2-CB 4.21Å
219	D	98.3	Very high	96.2	Very high	107 Å²	107	78.6 Å²	78.6	57%	0.572	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	139	177	-61.1	-78	0	0	0	111.5	I194 H195	I194-D219 VanDerWaalsContact O-CA 3.32Å; I194-D219 WeakPolarHBondContact O-CA 3.14Å; H195-D219 WeakPolarHBondContact CB-OD1 3.42Å; H195-D219 IonicContact CE1-OD1 3.05Å; H195-D219 IonicContact CG-OD1 2.94Å; H195-D219 IonicContact ND1-OD1 2.77Å; H195-D219 PolarHBondContact ND1-OD1 2.96Å; H195-D219 IonicContact ND1-OD2 3.29Å
220	F	97.8	Very high	96.3	Very high	28 Å²	28	73.4 Å²	73.4	12%	0.123	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	170.3	169.6	60	-92	0	0	0	111.2	W180 I194 V218 V222 R237 I238	W180-F220 HydrophobicContact CE3-CE1 4.14Å; W180-F220 HydrophobicContact CH2-CE1 4.41Å; W180-F220 HydrophobicContact CZ3-CD1 4.48Å; W180-F220 AromaticContact CZ3-CE1 3.59Å; W180-F220 HydrophobicContact CZ3-CE1 3.59Å; W180-F220 HydrophobicContact CZ3-CZ 4.37Å; I194-F220 WeakPolarHBondContact CA-O 3.42Å; I194-F220 HydrophobicContact CB-CD2 4.09Å; I194-F220 HydrophobicContact CB-CE1 4.3Å; I194-F220 HydrophobicContact CB-CE2 3.81Å; I194-F220 HydrophobicContact CB-CG 4.43Å; I194-F220 HydrophobicContact CB-CZ 3.91Å; I194-F220 WeakPolarHBondContact CB-O 3.46Å; I194-F220 HydrophobicContact CD1-CD2 3.81Å; I194-F220 HydrophobicContact CD1-CE2 3.69Å; I194-F220 WeakPolarHBondContact CD1-O 3.37Å; I194-F220 HydrophobicContact CG1-CD2 4.28Å; I194-F220 HydrophobicContact CG1-CE2 3.81Å; I194-F220 HydrophobicContact CG1-CZ 4.25Å; I194-F220 HydrophobicContact CG2-CE1 3.97Å; I194-F220 HydrophobicContact CG2-CE2 4.06Å; I194-F220 HydrophobicContact CG2-CZ 3.64Å; I194-F220 PolarHBondContact N-O 3.32Å; I194-F220 PolarHBondContact O-N 3.24Å; V218-F220 HydrophobicContact CG1-CD1 4.26Å; F220-V222 HydrophobicContact CD2-CG2 3.85Å; F220-V222 HydrophobicContact CE2-CG2 3.73Å; F220-R237 HydrophobicContact CD1-CB 4.27Å; F220-R237 HydrophobicContact CD2-CB 4.02Å; F220-R237 HydrophobicContact CD2-CG 4.11Å; F220-R237 HydrophobicContact CE1-CB 3.95Å; F220-R237 HydrophobicContact CE2-CB 3.7Å; F220-R237 HydrophobicContact CE2-CG 4.09Å; F220-R237 HydrophobicContact CG-CB 4.31Å; F220-R237 HydrophobicContact CZ-CB 3.67Å; F220-I238 HydrophobicContact CE1-CG1 4.25Å; F220-I238 HydrophobicContact CZ-CG1 3.9Å
221	I	96.5	Very high	96.4	Very high	95 Å²	95	68.9 Å²	68.9	49%	0.487	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.6	179.5	-61.1	173.5	0	0	0	108.8	E191 F192	E191-I221 HydrophobicContact CG-CG2 3.68Å; F192-I221 WeakPolarHBondContact O-CA 3.29Å
222	V	95.9	Very high	96.5	Very high	5 Å²	5	73.6 Å²	73.6	3%	0.03	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.6	170.8	179.6	0	0	0	0	108.7	F192 I194 F220 E224 F230 E233	F192-V222 PolarHBondContact N-O 3.22Å; F192-V222 PolarHBondContact O-N 3.44Å; I194-V222 HydrophobicContact CD1-CB 3.92Å; I194-V222 HydrophobicContact CD1-CG2 3.8Å; F220-V222 HydrophobicContact CD2-CG2 3.85Å; F220-V222 HydrophobicContact CE2-CG2 3.73Å; V222-E224 HydrophobicContact CG1-CB 4.42Å; V222-E224 HydrophobicContact CG1-CG 3.97Å; V222-F230 HydrophobicContact CB-CD2 4.21Å; V222-F230 HydrophobicContact CB-CE2 4.11Å; V222-F230 HydrophobicContact CG1-CD2 3.63Å; V222-F230 HydrophobicContact CG1-CE2 4.04Å; V222-E233 HydrophobicContact CG1-CB 4.33Å; V222-E233 HydrophobicContact CG1-CG 4.26Å; V222-E233 HydrophobicContact CG2-CG 4.43Å
223	S	93.8	Very high	96.6	Very high	65 Å²	65	73.9 Å²	73.9	46%	0.455	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	96.2	-179.3	-42.5	0	0	0	0	108.9	E191	E191-S223 VanDerWaalsContact CG-OG 3.27Å; E191-S223 WeakPolarHBondContact CG-OG 3.38Å; E191-S223 PolarHBondContact OE2-OG 3.41Å
224	E	92.9	Very high	96.6	Very high	66 Å²	66	67.8 Å²	67.8	31%	0.308	34%	0.343	S	S	.	.			trans	-139.7	143.6	-174.9	-76.6	-65	174	0	0	109.5	W124 M190 V222 I229 F230	W124-E224 WeakPolarHBondContact CH2-O 3.48Å; M190-E224 WeakPolarHBondContact CB-O 3.42Å; M190-E224 PolarHBondContact O-N 3.06Å; M190-E224 VanDerWaalsContact O-O 3.1Å; V222-E224 HydrophobicContact CG1-CB 4.42Å; V222-E224 HydrophobicContact CG1-CG 3.97Å; E224-I229 HydrophobicContact CG-CG2 4.11Å; E224-I229 WeakPolarHBondContact OE2-CG2 3.16Å; E224-F230 HydrophobicContact CB-CB 3.82Å
225	S	90.1	Very high	96.7	Very high	92 Å²	92	67 Å²	67	64%	0.643	34%	0.336	S	S	*	.	S	Bend	trans	-92.2	-21.5	-176.1	59.9	0	0	0	0	113.9
226	L	94.8	Very high	96.7	Very high	100 Å²	100	68 Å²	68	52%	0.524	33%	0.33	S	S	.	.	S	Bend	trans	-106.9	124.5	-177.1	-68.4	176.2	0	0	0	110.8	R228 I229 F230	L226-R228 VanDerWaalsContact C-N 3.26Å; L226-R228 PolarHBondContact O-N 2.91Å; L226-R228 VanDerWaalsContact O-N 3.09Å; L226-I229 HydrophobicContact CB-CB 4.37Å; L226-I229 HydrophobicContact CB-CD1 4.15Å; L226-I229 HydrophobicContact CB-CG1 4.09Å; L226-I229 HydrophobicContact CD1-CD1 3.79Å; L226-I229 HydrophobicContact CD1-CG1 4.45Å; L226-I229 PolarHBondContact O-N 2.94Å; L226-F230 PolarHBondContact O-N 3.34Å
227	P	96.1	Very high	96.7	Very high	31 Å²	31	69.2 Å²	69.2	20%	0.201	33%	0.332	C	S	.	.	H	α-helix	trans	-49.7	-40.5	-178	-32.5	35.5	0	0	0	115	W124 A127 A231	W124-P227 HydrophobicContact CD2-CB 4.28Å; W124-P227 HydrophobicContact CD2-CG 4.03Å; W124-P227 HydrophobicContact CG-CB 4.43Å; W124-P227 HydrophobicContact CG-CG 4.26Å; W124-P227 HydrophobicContact CZ2-CG 4.1Å; A127-P227 HydrophobicContact CB-CB 3.75Å; A127-P227 WeakPolarHBondContact CB-O 3.49Å; P227-A231 VanDerWaalsContact O-CB 3.31Å; P227-A231 WeakPolarHBondContact O-CB 3.21Å; P227-A231 PolarHBondContact O-N 3.3Å
228	R	97.2	Very high	96.7	Very high	212 Å²	212	63 Å²	63	80%	0.8	30%	0.303	S	S	*	.	H	α-helix	trans	-69.8	-36.9	-179.6	-68	-176.4	178	-176.9	-1.4	113.4	A127 L226 R232	A127-R228 HydrophobicContact CB-CG 4.47Å; L226-R228 VanDerWaalsContact C-N 3.26Å; L226-R228 PolarHBondContact O-N 2.91Å; L226-R228 VanDerWaalsContact O-N 3.09Å; R228-R232 PolarHBondContact O-N 3.42Å
229	I	96.9	Very high	96.7	Very high	60 Å²	60	65.7 Å²	65.7	31%	0.308	31%	0.313	S	S	.	.	H	α-helix	trans	-73.4	-45.5	178.9	-58.6	-176.8	0	0	0	109.1	E224 L226 A231 R232 E233	E224-I229 HydrophobicContact CG-CG2 4.11Å; E224-I229 WeakPolarHBondContact OE2-CG2 3.16Å; L226-I229 HydrophobicContact CB-CB 4.37Å; L226-I229 HydrophobicContact CB-CD1 4.15Å; L226-I229 HydrophobicContact CB-CG1 4.09Å; L226-I229 HydrophobicContact CD1-CD1 3.79Å; L226-I229 HydrophobicContact CD1-CG1 4.45Å; L226-I229 PolarHBondContact O-N 2.94Å; I229-A231 VanDerWaalsContact C-N 3.32Å; I229-A231 PolarHBondContact O-N 3.41Å; I229-R232 PolarHBondContact O-N 3.37Å; I229-E233 PolarHBondContact O-N 3.49Å
230	F	97.2	Very high	96.7	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-50.2	-51.2	171.9	168	-98	0	0	0	112.3	W124 L159 F182 F192 V222 E224 L226 R232 E233 S234	W124-F230 HydrophobicContact CE3-CB 3.95Å; W124-F230 AromaticContact CE3-CD1 3.53Å; W124-F230 HydrophobicContact CE3-CD1 3.53Å; W124-F230 HydrophobicContact CE3-CD2 4.19Å; W124-F230 HydrophobicContact CE3-CE1 4.05Å; W124-F230 AromaticContact CE3-CG 3.6Å; W124-F230 HydrophobicContact CE3-CG 3.6Å; W124-F230 HydrophobicContact CZ3-CB 3.49Å; W124-F230 VanDerWaalsContact CZ3-CB 3.49Å; W124-F230 AromaticContact CZ3-CD1 3.94Å; W124-F230 HydrophobicContact CZ3-CD1 3.94Å; W124-F230 AromaticContact CZ3-CD2 3.87Å; W124-F230 HydrophobicContact CZ3-CD2 3.87Å; W124-F230 AromaticContact CZ3-CG 3.47Å; W124-F230 HydrophobicContact CZ3-CG 3.47Å; W124-F230 VanDerWaalsContact CZ3-CG 3.47Å; L159-F230 HydrophobicContact CD1-CE1 4.08Å; F182-F230 HydrophobicContact CD1-CE1 4.42Å; F182-F230 HydrophobicContact CD1-CE2 4.44Å; F182-F230 AromaticContact CD1-CZ 3.64Å; F182-F230 HydrophobicContact CD1-CZ 3.64Å; F182-F230 HydrophobicContact CE1-CZ 4.17Å; F182-F230 HydrophobicContact CG-CZ 4.47Å; F192-F230 HydrophobicContact CB-CE2 3.87Å; F192-F230 HydrophobicContact CB-CZ 4.22Å; F192-F230 HydrophobicContact CD1-CZ 4.4Å; F192-F230 AromaticContact CD2-CD2 3.99Å; F192-F230 HydrophobicContact CD2-CD2 3.99Å; F192-F230 AromaticContact CD2-CE2 3.31Å; F192-F230 HydrophobicContact CD2-CE2 3.31Å; F192-F230 AromaticContact CD2-CZ 3.7Å; F192-F230 HydrophobicContact CD2-CZ 3.7Å; F192-F230 HydrophobicContact CE2-CD2 4.44Å; F192-F230 AromaticContact CE2-CE2 3.99Å; F192-F230 HydrophobicContact CE2-CE2 3.99Å; F192-F230 HydrophobicContact CE2-CZ 4.11Å; F192-F230 AromaticContact CG-CE2 3.71Å; F192-F230 HydrophobicContact CG-CE2 3.71Å; F192-F230 AromaticContact CG-CZ 3.85Å; F192-F230 HydrophobicContact CG-CZ 3.85Å; V222-F230 HydrophobicContact CB-CD2 4.21Å; V222-F230 HydrophobicContact CB-CE2 4.11Å; V222-F230 HydrophobicContact CG1-CD2 3.63Å; V222-F230 HydrophobicContact CG1-CE2 4.04Å; E224-F230 HydrophobicContact CB-CB 3.82Å; L226-F230 PolarHBondContact O-N 3.34Å; F230-R232 PolarHBondContact O-N 2.93Å; F230-E233 PolarHBondContact O-N 3.33Å; F230-S234 VanDerWaalsContact O-CB 3.26Å; F230-S234 WeakPolarHBondContact O-CB 3.19Å; F230-S234 PolarHBondContact O-N 2.98Å; F230-S234 PolarHBondContact O-OG 2.99Å
231	A	98.2	Very high	96.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-46.4	-179.6	0	0	0	0	0	111.9	A127 L128 S131 P227 I229 E233 S234 I235	A127-A231 VanDerWaalsContact C-CB 3.41Å; A127-A231 HydrophobicContact CB-CB 4.1Å; A127-A231 WeakPolarHBondContact O-CB 3.45Å; L128-A231 HydrophobicContact CB-CB 4.46Å; S131-A231 WeakPolarHBondContact OG-CB 3.41Å; P227-A231 VanDerWaalsContact O-CB 3.31Å; P227-A231 WeakPolarHBondContact O-CB 3.21Å; P227-A231 PolarHBondContact O-N 3.3Å; I229-A231 VanDerWaalsContact C-N 3.32Å; I229-A231 PolarHBondContact O-N 3.41Å; A231-E233 PolarHBondContact O-N 3.01Å; A231-S234 PolarHBondContact O-N 3.31Å; A231-I235 WeakPolarHBondContact O-CB 3.14Å; A231-I235 VanDerWaalsContact O-CG1 3.29Å; A231-I235 WeakPolarHBondContact O-CG1 3.11Å; A231-I235 PolarHBondContact O-N 3.44Å
232	R	98	Very high	96.8	Very high	178 Å²	178	60.3 Å²	60.3	67%	0.672	29%	0.285	S	S	*	.	H	α-helix	trans	-62.3	-45	179.2	-174.5	-179.8	66.1	177.4	-0.2	112.7	R228 I229 F230 K236	R228-R232 PolarHBondContact O-N 3.42Å; I229-R232 PolarHBondContact O-N 3.37Å; F230-R232 PolarHBondContact O-N 2.93Å; R232-K236 WeakPolarHBondContact O-CB 3.41Å; R232-K236 PolarHBondContact O-N 2.96Å
233	E	97.6	Very high	96.9	Very high	44 Å²	44	62.3 Å²	62.3	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-40.5	178.6	-177	60.3	-163.7	0	0	111.1	V222 I229 F230 A231 K236 R237	V222-E233 HydrophobicContact CG1-CB 4.33Å; V222-E233 HydrophobicContact CG1-CG 4.26Å; V222-E233 HydrophobicContact CG2-CG 4.43Å; I229-E233 PolarHBondContact O-N 3.49Å; F230-E233 PolarHBondContact O-N 3.33Å; A231-E233 PolarHBondContact O-N 3.01Å; E233-K236 WeakPolarHBondContact O-CB 3.36Å; E233-K236 PolarHBondContact O-N 2.89Å; E233-R237 WeakPolarHBondContact O-CG 3.36Å; E233-R237 PolarHBondContact O-N 2.84Å; E233-R237 VanDerWaalsContact O-N 3.09Å; E233-R237 IonicContact OE1-CZ 3.32Å; E233-R237 IonicContact OE1-NE 2.86Å; E233-R237 PolarHBondContact OE1-NE 2.98Å; E233-R237 IonicContact OE1-NH2 2.91Å; E233-R237 PolarHBondContact OE1-NH2 3.38Å
234	S	98.2	Very high	97.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-51.7	175.7	-63.8	0	0	0	0	112	F230 A231 K236 R237 I238	F230-S234 VanDerWaalsContact O-CB 3.26Å; F230-S234 WeakPolarHBondContact O-CB 3.19Å; F230-S234 PolarHBondContact O-N 2.98Å; F230-S234 PolarHBondContact O-OG 2.99Å; A231-S234 PolarHBondContact O-N 3.31Å; S234-K236 VanDerWaalsContact C-N 3.29Å; S234-K236 PolarHBondContact O-N 3.12Å; S234-R237 PolarHBondContact O-N 3.3Å; S234-I238 VanDerWaalsContact O-CG1 3.31Å; S234-I238 WeakPolarHBondContact O-CG1 3.49Å; S234-I238 PolarHBondContact O-N 2.92Å
235	I	98.5	Very high	97.3	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.077	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-33.4	179.5	-64.8	-57.7	0	0	0	111.8	L128 A132 Y135 M161 A231 I238 K239	L128-I235 HydrophobicContact CD1-CD1 4.03Å; L128-I235 HydrophobicContact CD1-CG1 4.26Å; A132-I235 HydrophobicContact CB-CD1 3.71Å; Y135-I235 HydrophobicContact CD1-CG2 4.23Å; Y135-I235 HydrophobicContact CD2-CG2 4.33Å; Y135-I235 HydrophobicContact CG-CG2 3.78Å; M161-I235 HydrophobicContact CE-CD1 4.03Å; M161-I235 HydrophobicContact SD-CD1 3.95Å; A231-I235 WeakPolarHBondContact O-CB 3.14Å; A231-I235 VanDerWaalsContact O-CG1 3.29Å; A231-I235 WeakPolarHBondContact O-CG1 3.11Å; A231-I235 PolarHBondContact O-N 3.44Å; I235-I238 HydrophobicContact CD1-CD1 4.39Å; I235-I238 PolarHBondContact O-N 2.83Å; I235-K239 WeakPolarHBondContact O-CB 3.49Å; I235-K239 PolarHBondContact O-N 3.33Å
236	K	98.3	Very high	97.6	Very high	105 Å²	105	60.8 Å²	60.8	46%	0.457	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-48	173.5	-177.5	-170.6	170.1	-162.2	0	111.8	R232 E233 S234 I238 K239 E240	R232-K236 WeakPolarHBondContact O-CB 3.41Å; R232-K236 PolarHBondContact O-N 2.96Å; E233-K236 WeakPolarHBondContact O-CB 3.36Å; E233-K236 PolarHBondContact O-N 2.89Å; S234-K236 VanDerWaalsContact C-N 3.29Å; S234-K236 PolarHBondContact O-N 3.12Å; K236-I238 VanDerWaalsContact C-N 3.35Å; K236-K239 PolarHBondContact O-N 3.01Å; K236-E240 VanDerWaalsContact CE-OE1 3.23Å; K236-E240 WeakPolarHBondContact CE-OE1 3.23Å; K236-E240 WeakPolarHBondContact O-CG 3.23Å; K236-E240 PolarHBondContact O-N 2.98Å
237	R	98.2	Very high	97.8	Very high	94 Å²	94	60.8 Å²	60.8	36%	0.355	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-39.1	177.7	-63.1	-59.5	-179.3	96.2	9.7	112.3	F220 E233 S234 E240 A241	F220-R237 HydrophobicContact CD1-CB 4.27Å; F220-R237 HydrophobicContact CD2-CB 4.02Å; F220-R237 HydrophobicContact CD2-CG 4.11Å; F220-R237 HydrophobicContact CE1-CB 3.95Å; F220-R237 HydrophobicContact CE2-CB 3.7Å; F220-R237 HydrophobicContact CE2-CG 4.09Å; F220-R237 HydrophobicContact CG-CB 4.31Å; F220-R237 HydrophobicContact CZ-CB 3.67Å; E233-R237 WeakPolarHBondContact O-CG 3.36Å; E233-R237 PolarHBondContact O-N 2.84Å; E233-R237 VanDerWaalsContact O-N 3.09Å; E233-R237 IonicContact OE1-CZ 3.32Å; E233-R237 IonicContact OE1-NE 2.86Å; E233-R237 PolarHBondContact OE1-NE 2.98Å; E233-R237 IonicContact OE1-NH2 2.91Å; E233-R237 PolarHBondContact OE1-NH2 3.38Å; S234-R237 PolarHBondContact O-N 3.3Å; R237-E240 PolarHBondContact O-N 3.46Å; R237-A241 WeakPolarHBondContact O-CB 3.24Å; R237-A241 PolarHBondContact O-N 3.25Å
238	I	98.6	Very high	97.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-47.5	175.7	-70.3	172.6	0	0	0	110.4	Y135 M161 W180 F182 F220 S234 I235 K236 E240 A241 D242	Y135-I238 HydrophobicContact CE1-CG2 4.14Å; M161-I238 HydrophobicContact CE-CD1 3.38Å; W180-I238 HydrophobicContact CB-CD1 4.37Å; W180-I238 HydrophobicContact CD2-CD1 3.69Å; W180-I238 HydrophobicContact CD2-CG1 3.74Å; W180-I238 HydrophobicContact CD2-CG2 4.43Å; W180-I238 HydrophobicContact CE3-CD1 4.03Å; W180-I238 HydrophobicContact CE3-CG1 3.8Å; W180-I238 HydrophobicContact CG-CD1 3.84Å; W180-I238 HydrophobicContact CG-CG1 4.41Å; W180-I238 HydrophobicContact CH2-CB 4.47Å; W180-I238 HydrophobicContact CH2-CG1 3.99Å; W180-I238 HydrophobicContact CH2-CG2 4.45Å; W180-I238 HydrophobicContact CZ2-CB 4.14Å; W180-I238 HydrophobicContact CZ2-CG1 3.91Å; W180-I238 HydrophobicContact CZ2-CG2 3.66Å; W180-I238 HydrophobicContact CZ3-CG1 3.95Å; F182-I238 HydrophobicContact CZ-CD1 3.93Å; F220-I238 HydrophobicContact CE1-CG1 4.25Å; F220-I238 HydrophobicContact CZ-CG1 3.9Å; S234-I238 VanDerWaalsContact O-CG1 3.31Å; S234-I238 WeakPolarHBondContact O-CG1 3.49Å; S234-I238 PolarHBondContact O-N 2.92Å; I235-I238 HydrophobicContact CD1-CD1 4.39Å; I235-I238 PolarHBondContact O-N 2.83Å; K236-I238 VanDerWaalsContact C-N 3.35Å; I238-E240 VanDerWaalsContact C-N 3.35Å; I238-E240 PolarHBondContact O-N 3.13Å; I238-A241 WeakPolarHBondContact O-CB 3.45Å; I238-A241 PolarHBondContact O-N 3.38Å; I238-A241 VanDerWaalsContact O-N 3.14Å; I238-D242 WeakPolarHBondContact O-CB 3.49Å; I238-D242 PolarHBondContact O-N 3.48Å
239	K	98.3	Very high	97.8	Very high	82 Å²	82	52.8 Å²	52.8	36%	0.357	26%	0.259	S	S	.	.	H	α-helix	trans	-57.6	-45.2	174.8	176	171.3	174.6	160.8	0	112.4	Y135 H139 I235 K236 A241 D242 C243	Y135-K239 HydrophobicContact CD2-CB 4.24Å; Y135-K239 HydrophobicContact CD2-CD 4.27Å; Y135-K239 HydrophobicContact CD2-CG 4.47Å; Y135-K239 HydrophobicContact CE2-CB 3.64Å; Y135-K239 HydrophobicContact CE2-CD 3.99Å; Y135-K239 HydrophobicContact CE2-CG 3.77Å; H139-K239 PolarHBondContact CE1-NZ 3.44Å; H139-K239 VanDerWaalsContact NE2-CE 3.29Å; H139-K239 WeakPolarHBondContact NE2-CE 3.44Å; H139-K239 PolarHBondContact NE2-NZ 2.92Å; I235-K239 WeakPolarHBondContact O-CB 3.49Å; I235-K239 PolarHBondContact O-N 3.33Å; K236-K239 PolarHBondContact O-N 3.01Å; K239-A241 VanDerWaalsContact C-N 3.32Å; K239-A241 PolarHBondContact O-N 3.19Å; K239-D242 PolarHBondContact O-N 2.84Å; K239-C243 WeakPolarHBondContact O-CB 3.44Å; K239-C243 PolarHBondContact O-N 3.26Å; K239-C243 PolarHBondContact O-SG 3.23Å
240	E	98.1	Very high	97.7	Very high	101 Å²	101	52 Å²	52	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-42.3	176.4	-72.9	168.7	-175.2	0	0	111.5	K236 R237 I238 A244	K236-E240 VanDerWaalsContact CE-OE1 3.23Å; K236-E240 WeakPolarHBondContact CE-OE1 3.23Å; K236-E240 WeakPolarHBondContact O-CG 3.23Å; K236-E240 PolarHBondContact O-N 2.98Å; R237-E240 PolarHBondContact O-N 3.46Å; I238-E240 VanDerWaalsContact C-N 3.35Å; I238-E240 PolarHBondContact O-N 3.13Å; E240-A244 VanDerWaalsContact O-CB 3.26Å; E240-A244 WeakPolarHBondContact O-CB 3.31Å; E240-A244 PolarHBondContact O-N 2.85Å
241	A	98.2	Very high	97.6	Very high	12 Å²	12	57.8 Å²	57.8	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-44.6	177.6	0	0	0	0	0	112.9	W180 V218 R237 I238 K239 A244 Y245	W180-A241 HydrophobicContact CH2-CB 4.02Å; V218-A241 HydrophobicContact CG1-CB 3.96Å; V218-A241 HydrophobicContact CG2-CB 4.21Å; R237-A241 WeakPolarHBondContact O-CB 3.24Å; R237-A241 PolarHBondContact O-N 3.25Å; I238-A241 WeakPolarHBondContact O-CB 3.45Å; I238-A241 PolarHBondContact O-N 3.38Å; I238-A241 VanDerWaalsContact O-N 3.14Å; K239-A241 VanDerWaalsContact C-N 3.32Å; K239-A241 PolarHBondContact O-N 3.19Å; A241-A244 PolarHBondContact O-N 2.86Å; A241-Y245 WeakPolarHBondContact O-CB 3.28Å; A241-Y245 PolarHBondContact O-N 3.03Å
242	D	98	Very high	97.4	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.027	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-45.4	178.7	-73.6	-7.9	0	0	0	110.9	Y135 W176 I198 I238 K239 A244 Y245 Q246	Y135-D242 WeakPolarHBondContact OH-CB 3.47Å; Y135-D242 PolarHBondContact OH-OD2 3.32Å; W176-D242 HydrophobicContact CH2-CB 4.2Å; W176-D242 HydrophobicContact CZ2-CB 4.13Å; I198-D242 WeakPolarHBondContact CD1-OD1 3.26Å; I238-D242 WeakPolarHBondContact O-CB 3.49Å; I238-D242 PolarHBondContact O-N 3.48Å; K239-D242 PolarHBondContact O-N 2.84Å; D242-A244 PolarHBondContact O-N 2.89Å; D242-Y245 PolarHBondContact O-N 3.06Å; D242-Q246 WeakPolarHBondContact O-CB 3.41Å; D242-Q246 PolarHBondContact O-N 3.32Å
243	C	97.6	Very high	97.2	Very high	46 Å²	46	58.1 Å²	58.1	31%	0.311	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-45.9	174.1	-72.3	0	0	0	0	111.7	K239 Y245 Q246 I247	K239-C243 WeakPolarHBondContact O-CB 3.44Å; K239-C243 PolarHBondContact O-N 3.26Å; K239-C243 PolarHBondContact O-SG 3.23Å; C243-Y245 VanDerWaalsContact C-N 3.28Å; C243-Y245 PolarHBondContact O-N 3.05Å; C243-Q246 PolarHBondContact O-N 2.74Å; C243-I247 VanDerWaalsContact O-CG1 3.3Å; C243-I247 WeakPolarHBondContact O-CG1 3.35Å; C243-I247 PolarHBondContact O-N 3.41Å
244	A	97.9	Very high	97	Very high	47 Å²	47	63 Å²	63	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-37.4	177.6	0	0	0	0	0	111.9	E240 A241 D242 A248	E240-A244 VanDerWaalsContact O-CB 3.26Å; E240-A244 WeakPolarHBondContact O-CB 3.31Å; E240-A244 PolarHBondContact O-N 2.85Å; A241-A244 PolarHBondContact O-N 2.86Å; D242-A244 PolarHBondContact O-N 2.89Å; A244-A248 VanDerWaalsContact O-CB 3.26Å; A244-A248 WeakPolarHBondContact O-CB 3.38Å; A244-A248 PolarHBondContact O-N 2.85Å
245	Y	97.8	Very high	96.8	Very high	11 Å²	11	66.6 Å²	66.6	4%	0.043	35%	0.345	C	S	.	.	H	α-helix	trans	-67.7	-45.7	175.9	-179.4	-128.8	0	0	0	112.5	W176 I198 V200 S214 S215 K216 A241 D242 C243 I247 A248 I249	W176-Y245 AromaticContact CH2-CD1 3.73Å; W176-Y245 HydrophobicContact CH2-CD1 3.73Å; W176-Y245 HydrophobicContact CH2-CE1 4.29Å; W176-Y245 AromaticContact CZ3-CD1 3.9Å; W176-Y245 HydrophobicContact CZ3-CD1 3.9Å; W176-Y245 HydrophobicContact CZ3-CE1 4.14Å; I198-Y245 HydrophobicContact CB-CD1 4.2Å; I198-Y245 HydrophobicContact CB-CE1 4.16Å; I198-Y245 HydrophobicContact CD1-CD1 4.35Å; I198-Y245 HydrophobicContact CG2-CD1 3.55Å; I198-Y245 HydrophobicContact CG2-CE1 3.5Å; I198-Y245 VanDerWaalsContact CG2-CE1 3.5Å; V200-Y245 HydrophobicContact CG2-CE1 3.84Å; S214-Y245 VanDerWaalsContact CB-OH 3.24Å; S214-Y245 WeakPolarHBondContact CB-OH 3.3Å; S214-Y245 PolarHBondContact O-OH 3.26Å; S214-Y245 PolarHBondContact OG-OH 2.96Å; S215-Y245 PolarHBondContact N-OH 2.76Å; K216-Y245 HydrophobicContact CB-CD2 3.71Å; K216-Y245 HydrophobicContact CB-CE2 3.62Å; K216-Y245 HydrophobicContact CB-CG 4.31Å; K216-Y245 HydrophobicContact CD-CD2 3.48Å; K216-Y245 VanDerWaalsContact CD-CD2 3.48Å; K216-Y245 HydrophobicContact CD-CE2 4.23Å; K216-Y245 HydrophobicContact CD-CG 3.95Å; K216-Y245 HydrophobicContact CG-CD2 4.24Å; A241-Y245 WeakPolarHBondContact O-CB 3.28Å; A241-Y245 PolarHBondContact O-N 3.03Å; D242-Y245 PolarHBondContact O-N 3.06Å; C243-Y245 VanDerWaalsContact C-N 3.28Å; C243-Y245 PolarHBondContact O-N 3.05Å; Y245-I247 PolarHBondContact O-N 2.66Å; Y245-A248 PolarHBondContact O-N 3.45Å; Y245-I249 HydrophobicContact CD1-CD1 3.96Å; Y245-I249 HydrophobicContact CD2-CD1 4.08Å; Y245-I249 HydrophobicContact CD2-CG1 4.21Å; Y245-I249 HydrophobicContact CE1-CD1 3.53Å; Y245-I249 HydrophobicContact CE2-CD1 3.66Å; Y245-I249 HydrophobicContact CE2-CG1 3.89Å; Y245-I249 HydrophobicContact CG-CD1 4.25Å; Y245-I249 WeakPolarHBondContact O-CG1 3.29Å; Y245-I249 PolarHBondContact O-N 3.14Å
246	Q	96.9	Very high	96.5	Very high	134 Å²	134	68.3 Å²	68.3	63%	0.626	35%	0.354	S	S	*	.	H	α-helix	trans	-60.4	-44.9	177.8	-174.3	-178.1	8.7	0	0	111.9	D242 C243 I249 G250	D242-Q246 WeakPolarHBondContact O-CB 3.41Å; D242-Q246 PolarHBondContact O-N 3.32Å; C243-Q246 PolarHBondContact O-N 2.74Å; Q246-I249 PolarHBondContact O-N 3.24Å; Q246-G250 PolarHBondContact O-N 3.49Å
247	I	97.6	Very high	96.1	Very high	100 Å²	100	66.6 Å²	66.6	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-48	175.7	-67.9	167	0	0	0	110.1	C243 Y245 I249 G250 E251	C243-I247 VanDerWaalsContact O-CG1 3.3Å; C243-I247 WeakPolarHBondContact O-CG1 3.35Å; C243-I247 PolarHBondContact O-N 3.41Å; Y245-I247 PolarHBondContact O-N 2.66Å; I247-I249 VanDerWaalsContact C-N 3.34Å; I247-I249 PolarHBondContact O-N 3.14Å; I247-G250 PolarHBondContact O-N 2.99Å; I247-G250 VanDerWaalsContact O-N 3.12Å; I247-E251 HydrophobicContact CG2-CG 4.26Å; I247-E251 WeakPolarHBondContact O-CG 3.29Å; I247-E251 PolarHBondContact O-N 3.3Å
248	A	97	Very high	95.7	Very high	44 Å²	44	66 Å²	66	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-38.5	-179.8	0	0	0	0	0	112.9	A244 Y245 N252	A244-A248 VanDerWaalsContact O-CB 3.26Å; A244-A248 WeakPolarHBondContact O-CB 3.38Å; A244-A248 PolarHBondContact O-N 2.85Å; Y245-A248 PolarHBondContact O-N 3.45Å; A248-N252 VanDerWaalsContact O-CB 3.23Å; A248-N252 WeakPolarHBondContact O-CB 3.2Å; A248-N252 PolarHBondContact O-N 3.15Å
249	I	96.2	Very high	95.3	Very high	31 Å²	31	69.6 Å²	69.6	16%	0.159	38%	0.381	C	S	.	.	H	α-helix	trans	-59.9	-48.8	173.2	-73.3	167.8	0	0	0	110.3	V200 Y245 Q246 I247 E251 N252 F253	V200-I249 HydrophobicContact CG2-CD1 4.43Å; Y245-I249 HydrophobicContact CD1-CD1 3.96Å; Y245-I249 HydrophobicContact CD2-CD1 4.08Å; Y245-I249 HydrophobicContact CD2-CG1 4.21Å; Y245-I249 HydrophobicContact CE1-CD1 3.53Å; Y245-I249 HydrophobicContact CE2-CD1 3.66Å; Y245-I249 HydrophobicContact CE2-CG1 3.89Å; Y245-I249 HydrophobicContact CG-CD1 4.25Å; Y245-I249 WeakPolarHBondContact O-CG1 3.29Å; Y245-I249 PolarHBondContact O-N 3.14Å; Q246-I249 PolarHBondContact O-N 3.24Å; I247-I249 VanDerWaalsContact C-N 3.34Å; I247-I249 PolarHBondContact O-N 3.14Å; I249-E251 PolarHBondContact O-N 3.43Å; I249-N252 PolarHBondContact O-N 3.29Å; I249-F253 HydrophobicContact CG2-CD2 3.71Å; I249-F253 HydrophobicContact CG2-CE2 3.56Å; I249-F253 VanDerWaalsContact O-CD2 3.26Å; I249-F253 WeakPolarHBondContact O-CD2 3.48Å; I249-F253 PolarHBondContact O-N 3.22Å
250	G	94.8	Very high	94.9	Very high	44 Å²	44	69.3 Å²	69.3	45%	0.454	39%	0.386	S	S	.	.	H	α-helix	trans	-61.5	-43.9	179.9	0	0	0	0	0	113	Q246 I247 F253 K254	Q246-G250 PolarHBondContact O-N 3.49Å; I247-G250 PolarHBondContact O-N 2.99Å; I247-G250 VanDerWaalsContact O-N 3.12Å; G250-F253 PolarHBondContact O-N 2.88Å; G250-K254 PolarHBondContact O-N 2.87Å
251	E	96	Very high	94.4	Very high	120 Å²	120	70.8 Å²	70.8	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-64.8	-38.1	175.6	-70.4	-179.7	163.1	0	0	112.4	I247 I249 K254 T255	I247-E251 HydrophobicContact CG2-CG 4.26Å; I247-E251 WeakPolarHBondContact O-CG 3.29Å; I247-E251 PolarHBondContact O-N 3.3Å; I249-E251 PolarHBondContact O-N 3.43Å; E251-K254 PolarHBondContact O-N 3.43Å; E251-T255 WeakPolarHBondContact O-CB 3.17Å; E251-T255 PolarHBondContact O-N 2.75Å; E251-T255 PolarHBondContact O-OG1 3.39Å
252	N	94.7	Very high	93.9	Very high	87 Å²	87	74.8 Å²	74.8	47%	0.465	41%	0.406	S	S	.	.	H	α-helix	trans	-66.4	-41.1	177.3	-169.2	35.3	0	0	0	111.6	A248 I249 K254 T255 M256	A248-N252 VanDerWaalsContact O-CB 3.23Å; A248-N252 WeakPolarHBondContact O-CB 3.2Å; A248-N252 PolarHBondContact O-N 3.15Å; I249-N252 PolarHBondContact O-N 3.29Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 3.12Å; N252-T255 PolarHBondContact O-N 2.95Å; N252-M256 WeakPolarHBondContact O-CB 3.3Å; N252-M256 WeakPolarHBondContact O-CG 3.32Å; N252-M256 PolarHBondContact O-N 3.1Å
253	F	92.4	Very high	93.6	Very high	99 Å²	99	78.7 Å²	78.7	43%	0.434	44%	0.44	S	S	.	.	H	α-helix	trans	-58.5	-44.1	173.5	-86.9	-65.3	0	0	0	112.5	L212 I249 G250 M256 S257	L212-F253 HydrophobicContact CD1-CE2 4.35Å; L212-F253 HydrophobicContact CD1-CZ 3.82Å; L212-F253 HydrophobicContact CD2-CE2 3.86Å; L212-F253 HydrophobicContact CD2-CZ 3.8Å; L212-F253 HydrophobicContact CG-CZ 4.26Å; I249-F253 HydrophobicContact CG2-CD2 3.71Å; I249-F253 HydrophobicContact CG2-CE2 3.56Å; I249-F253 VanDerWaalsContact O-CD2 3.26Å; I249-F253 WeakPolarHBondContact O-CD2 3.48Å; I249-F253 PolarHBondContact O-N 3.22Å; G250-F253 PolarHBondContact O-N 2.88Å; F253-M256 HydrophobicContact CD1-CE 3.78Å; F253-M256 HydrophobicContact CE1-CE 4.11Å; F253-M256 HydrophobicContact CG-CE 4.3Å; F253-S257 WeakPolarHBondContact O-CB 3.5Å; F253-S257 PolarHBondContact O-N 3.18Å
254	K	92.9	Very high	93.5	Very high	147 Å²	147	83.2 Å²	83.2	64%	0.639	46%	0.46	S	S	*	.	H	α-helix	trans	-60.7	-46.2	174.9	-173.9	175.8	-179.7	177.8	0	111.2	G250 E251 N252 S257 D258	G250-K254 PolarHBondContact O-N 2.87Å; E251-K254 PolarHBondContact O-N 3.43Å; N252-K254 VanDerWaalsContact C-N 3.33Å; N252-K254 PolarHBondContact O-N 3.12Å; K254-S257 PolarHBondContact O-N 2.92Å; K254-D258 PolarHBondContact O-N 3.34Å
255	T	94	Very high	93.2	Very high	74 Å²	74	90.9 Å²	90.9	45%	0.454	48%	0.479	S	S	.	.	H	α-helix	trans	-62.2	-47.6	179.4	-57.7	0	0	0	0	112	E251 N252 S257 D258 T259	E251-T255 WeakPolarHBondContact O-CB 3.17Å; E251-T255 PolarHBondContact O-N 2.75Å; E251-T255 PolarHBondContact O-OG1 3.39Å; N252-T255 PolarHBondContact O-N 2.95Å; T255-S257 VanDerWaalsContact C-N 3.34Å; T255-S257 PolarHBondContact O-N 3.1Å; T255-D258 PolarHBondContact O-N 3.44Å; T255-T259 WeakPolarHBondContact O-CB 3.38Å; T255-T259 PolarHBondContact O-N 2.82Å; T255-T259 PolarHBondContact O-OG1 3.01Å
256	M	92.9	Very high	92.7	Very high	52 Å²	52	96.9 Å²	96.9	26%	0.256	50%	0.501	S	S	.	.	H	α-helix	trans	-60.5	-42.1	177.9	-73.1	-170.6	-67.7	0	0	112.1	N252 F253 T260 F261	N252-M256 WeakPolarHBondContact O-CB 3.3Å; N252-M256 WeakPolarHBondContact O-CG 3.32Å; N252-M256 PolarHBondContact O-N 3.1Å; F253-M256 HydrophobicContact CD1-CE 3.78Å; F253-M256 HydrophobicContact CE1-CE 4.11Å; F253-M256 HydrophobicContact CG-CE 4.3Å; M256-T260 PolarHBondContact O-N 3.16Å; M256-F261 HydrophobicContact CB-CD2 4.35Å; M256-F261 HydrophobicContact CB-CE2 4.29Å; M256-F261 WeakPolarHBondContact O-CD2 3.38Å; M256-F261 PolarHBondContact O-N 3.48Å
257	S	89.9	Confident	92.2	Very high	68 Å²	68	98.7 Å²	98.7	48%	0.476	51%	0.51	S	S	.	.	H	α-helix	trans	-60.8	-43.3	175.6	-174.6	0	0	0	0	112.1	F253 K254 T255	F253-S257 WeakPolarHBondContact O-CB 3.5Å; F253-S257 PolarHBondContact O-N 3.18Å; K254-S257 PolarHBondContact O-N 2.92Å; T255-S257 VanDerWaalsContact C-N 3.34Å; T255-S257 PolarHBondContact O-N 3.1Å
258	D	89.3	Confident	91.9	Very high	81 Å²	81	97.5 Å²	97.5	43%	0.433	50%	0.504	S	S	.	.	H	α-helix	trans	-82	-22.9	-175.3	-83.1	-36.3	0	0	0	115	K254 T255 K262	K254-D258 PolarHBondContact O-N 3.34Å; T255-D258 PolarHBondContact O-N 3.44Å; D258-K262 VanDerWaalsContact O-CD 3.26Å; D258-K262 WeakPolarHBondContact O-CD 3.15Å; D258-K262 PolarHBondContact O-NZ 2.99Å; D258-K262 IonicContact OD1-NZ 3.26Å; D258-K262 PolarHBondContact OD1-NZ 3.32Å
259	T	91.2	Very high	91.6	Very high	76 Å²	76	97.5 Å²	97.5	47%	0.466	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-71.1	-172.9	61.8	0	0	0	0	112	T255 F261 K262 A263	T255-T259 WeakPolarHBondContact O-CB 3.38Å; T255-T259 PolarHBondContact O-N 2.82Å; T255-T259 PolarHBondContact O-OG1 3.01Å; T259-F261 PolarHBondContact O-N 3.1Å; T259-K262 PolarHBondContact O-N 3.07Å; T259-A263 WeakPolarHBondContact O-CB 3.4Å; T259-A263 PolarHBondContact O-N 2.87Å
260	T	89.8	Confident	91.3	Very high	76 Å²	76	102.9 Å²	102.9	47%	0.466	53%	0.528	S	S	.	.	H	α-helix	trans	-58.7	-52	-172.6	-47.8	0	0	0	0	112.7	M256 K262 A263 L264	M256-T260 PolarHBondContact O-N 3.16Å; T260-K262 VanDerWaalsContact C-N 3.34Å; T260-K262 PolarHBondContact O-N 2.96Å; T260-A263 WeakPolarHBondContact O-CB 3.48Å; T260-A263 PolarHBondContact O-N 3.26Å; T260-L264 PolarHBondContact O-N 3.49Å; T260-L264 VanDerWaalsContact O-N 3.15Å
261	F	88.1	Confident	91.2	Very high	133 Å²	133	105.7 Å²	105.7	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-65.1	-37.6	-179.3	-77.4	-65.5	0	0	0	112.3	M256 T259 A263 L264 R265	M256-F261 HydrophobicContact CB-CD2 4.35Å; M256-F261 HydrophobicContact CB-CE2 4.29Å; M256-F261 WeakPolarHBondContact O-CD2 3.38Å; M256-F261 PolarHBondContact O-N 3.48Å; T259-F261 PolarHBondContact O-N 3.1Å; F261-A263 VanDerWaalsContact C-N 3.3Å; F261-A263 PolarHBondContact O-N 3.14Å; F261-L264 HydrophobicContact CD1-CD1 4.48Å; F261-L264 PolarHBondContact O-N 3.31Å; F261-R265 PolarHBondContact O-N 3.47Å
262	K	87.8	Confident	91.1	Very high	95 Å²	95	110 Å²	110	41%	0.413	55%	0.548	S	S	.	.	H	α-helix	trans	-67.8	-30.4	176.3	-65.3	-171.4	-162.4	150.6	0	112.6	D258 T259 T260	D258-K262 VanDerWaalsContact O-CD 3.26Å; D258-K262 WeakPolarHBondContact O-CD 3.15Å; D258-K262 PolarHBondContact O-NZ 2.99Å; D258-K262 IonicContact OD1-NZ 3.26Å; D258-K262 PolarHBondContact OD1-NZ 3.32Å; T259-K262 PolarHBondContact O-N 3.07Å; T260-K262 VanDerWaalsContact C-N 3.34Å; T260-K262 PolarHBondContact O-N 2.96Å
263	A	91.5	Very high	90.9	Very high	88 Å²	88	108.7 Å²	108.7	73%	0.727	55%	0.546	S	S	*	.	H	α-helix	trans	-72.2	-34.5	176.1	0	0	0	0	0	112.5	T259 T260 F261	T259-A263 WeakPolarHBondContact O-CB 3.4Å; T259-A263 PolarHBondContact O-N 2.87Å; T260-A263 WeakPolarHBondContact O-CB 3.48Å; T260-A263 PolarHBondContact O-N 3.26Å; F261-A263 VanDerWaalsContact C-N 3.3Å; F261-A263 PolarHBondContact O-N 3.14Å
264	L	94.1	Very high	91	Very high	140 Å²	140	112.7 Å²	112.7	73%	0.733	56%	0.563	S	S	*	*	H	α-helix	trans	-69	-51.6	176.8	-70.1	173.4	0	0	0	112.4	T260 F261	T260-L264 PolarHBondContact O-N 3.49Å; T260-L264 VanDerWaalsContact O-N 3.15Å; F261-L264 HydrophobicContact CD1-CD1 4.48Å; F261-L264 PolarHBondContact O-N 3.31Å
265	R	91.7	Very high	90.9	Very high	209 Å²	209	110.1 Å²	110.1	79%	0.789	56%	0.556	S	S	*	*	S	Bend	trans	-143.8	116	178.3	-176.9	176.5	177.7	-110.5	3.3	109.8	F261	F261-R265 PolarHBondContact O-N 3.47Å
266	R	87.6	Confident	90.8	Very high	137 Å²	137	109.9 Å²	109.9	52%	0.517	55%	0.552	S	S	.	*			trans	-63	141.6	172.7	-57.7	173.5	58.7	89.2	0.9	109.9	L268	R266-L268 WeakPolarHBondContact CB-O 3.1Å; R266-L268 PolarHBondContact NE-O 3.22Å; R266-L268 PolarHBondContact O-N 3.16Å
267	Q	87.4	Confident	90.7	Very high	171 Å²	171	115.7 Å²	115.7	80%	0.799	57%	0.571	S	S	*	*	S	Bend	trans	-61.1	-34.2	172.6	-69.3	179.2	-13.6	0	0	112.1
268	L	91.1	Very high	90.7	Very high	76 Å²	76	118.2 Å²	118.2	40%	0.398	58%	0.579	S	S	.	*	S	Bend	trans	-138.1	154.2	173.3	-72.3	173.5	0	0	0	110.6	R266	R266-L268 WeakPolarHBondContact CB-O 3.1Å; R266-L268 PolarHBondContact NE-O 3.22Å; R266-L268 PolarHBondContact O-N 3.16Å
269	P	90.4	Very high	90.6	Very high	44 Å²	44	120.3 Å²	120.3	29%	0.286	58%	0.584	S	S	.	*			trans	-49.4	164.8	165.6	-25.6	33.6	0	0	0	112.8	T271 R272 S273 L275	P269-T271 PolarHBondContact O-N 3.47Å; P269-T271 VanDerWaalsContact O-N 3.1Å; P269-R272 PolarHBondContact O-N 3.33Å; P269-S273 VanDerWaalsContact CD-O 3.28Å; P269-S273 WeakPolarHBondContact CD-O 3.28Å; P269-S273 WeakPolarHBondContact CG-O 3.39Å; P269-L275 HydrophobicContact CB-CD2 4.48Å; P269-L275 HydrophobicContact CG-CD2 3.82Å; P269-L275 HydrophobicContact CG-CG 4.05Å
270	L	90.6	Very high	90.4	Very high	143 Å²	143	119.9 Å²	119.9	75%	0.749	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-31.8	179.6	-170.3	66.8	0	0	0	112.6	R272	L270-R272 PolarHBondContact O-N 3.32Å
271	T	92.8	Very high	90.3	Very high	104 Å²	104	120.5 Å²	120.5	64%	0.638	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-11.4	176.9	60.7	0	0	0	0	114.3	P269 S273	P269-T271 PolarHBondContact O-N 3.47Å; P269-T271 VanDerWaalsContact O-N 3.1Å; T271-S273 PolarHBondContact O-N 3.23Å; T271-S273 PolarHBondContact OG1-N 2.91Å; T271-S273 PolarHBondContact OG1-OG 3.45Å
272	R	92	Very high	90.2	Very high	211 Å²	211	118.6 Å²	118.6	80%	0.796	58%	0.578	S	S	*	*	S	Bend	trans	57	27.1	-173.2	-55.7	-179.5	176.1	176.4	-2.1	113.6	P269 L270	P269-R272 PolarHBondContact O-N 3.33Å; L270-R272 PolarHBondContact O-N 3.32Å
273	S	92	Very high	89.9	Confident	59 Å²	59	122.7 Å²	122.7	41%	0.413	59%	0.592	S	S	.	*	S	Bend	trans	-123	155.1	173.2	67.9	0	0	0	0	109.7	P269 T271	P269-S273 VanDerWaalsContact CD-O 3.28Å; P269-S273 WeakPolarHBondContact CD-O 3.28Å; P269-S273 WeakPolarHBondContact CG-O 3.39Å; T271-S273 PolarHBondContact O-N 3.23Å; T271-S273 PolarHBondContact OG1-N 2.91Å; T271-S273 PolarHBondContact OG1-OG 3.45Å
274	K	93.5	Very high	89.3	Confident	183 Å²	183	123.7 Å²	123.7	80%	0.796	58%	0.581	S	S	*	*			trans	-58.5	152.7	164.5	-68	-175.2	179.2	-179.6	0	109.2	D276	K274-D276 PolarHBondContact O-N 2.76Å
275	L	91.6	Very high	88.6	Confident	92 Å²	92	121.1 Å²	121.1	48%	0.482	57%	0.568	S	S	.	*			trans	-61.7	128.5	175.2	-69.7	174	0	0	0	109.3	P269 W277 I280	P269-L275 HydrophobicContact CB-CD2 4.48Å; P269-L275 HydrophobicContact CG-CD2 3.82Å; P269-L275 HydrophobicContact CG-CG 4.05Å; L275-W277 HydrophobicContact CD1-CH2 4.13Å; L275-W277 HydrophobicContact CD1-CZ2 4.24Å; L275-W277 PolarHBondContact O-N 3.4Å; L275-I280 HydrophobicContact CB-CD1 4.18Å; L275-I280 HydrophobicContact CD1-CD1 4.39Å; L275-I280 HydrophobicContact CD2-CD1 4.26Å
276	D	90.9	Very high	87.9	Confident	69 Å²	69	112.9 Å²	112.9	37%	0.369	55%	0.548	S	S	.	.			trans	-84.2	94.4	169.2	-176.3	-15.9	0	0	0	107.8	K274 N278 K279 I280	K274-D276 PolarHBondContact O-N 2.76Å; D276-N278 PolarHBondContact O-N 2.97Å; D276-N278 WeakPolarHBondContact OD1-CB 3.45Å; D276-N278 PolarHBondContact OD1-N 3.46Å; D276-K279 HydrophobicContact CB-CB 4.12Å; D276-K279 HydrophobicContact CB-CD 4.08Å; D276-K279 HydrophobicContact CB-CG 4.23Å; D276-K279 PolarHBondContact O-N 3.44Å; D276-K279 VanDerWaalsContact O-N 3.17Å; D276-K279 PolarHBondContact OD1-N 3.37Å; D276-K279 VanDerWaalsContact OD2-CD 3.24Å; D276-K279 WeakPolarHBondContact OD2-CD 3.38Å; D276-K279 WeakPolarHBondContact OD2-CE 3.5Å; D276-K279 VanDerWaalsContact OD2-CG 3.31Å; D276-K279 WeakPolarHBondContact OD2-CG 3.42Å; D276-K279 IonicContact OD2-NZ 3.55Å; D276-I280 PolarHBondContact O-N 3.14Å
277	W	91.5	Very high	87.5	Confident	174 Å²	174	108.7 Å²	108.7	66%	0.659	54%	0.539	S	S	*	.	H	α-helix	trans	-59.5	-31.8	-178.1	-65.9	110.5	0	0	0	112.5	L275 I280 I281	L275-W277 HydrophobicContact CD1-CH2 4.13Å; L275-W277 HydrophobicContact CD1-CZ2 4.24Å; L275-W277 PolarHBondContact O-N 3.4Å; W277-I280 HydrophobicContact CE3-CD1 3.95Å; W277-I280 HydrophobicContact CZ3-CD1 4.23Å; W277-I280 PolarHBondContact O-N 2.87Å; W277-I281 WeakPolarHBondContact O-CG1 3.48Å; W277-I281 PolarHBondContact O-N 3.42Å
278	N	90.5	Very high	87.1	Confident	121 Å²	121	106 Å²	106	65%	0.647	53%	0.527	S	S	*	.	H	α-helix	trans	-67.2	-39.8	177.7	-68.1	-31.3	0	0	0	111.4	D276 I281 T282	D276-N278 PolarHBondContact O-N 2.97Å; D276-N278 WeakPolarHBondContact OD1-CB 3.45Å; D276-N278 PolarHBondContact OD1-N 3.46Å; N278-I281 PolarHBondContact O-N 3.47Å; N278-T282 WeakPolarHBondContact O-CB 3.49Å; N278-T282 PolarHBondContact O-N 3.47Å; N278-T282 PolarHBondContact O-OG1 3.41Å
279	K	86.7	Confident	86.4	Confident	125 Å²	125	108.2 Å²	108.2	54%	0.543	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-42.6	173.4	-78.5	179.9	-172.9	174.6	0	111.5	D276 I281 T282 Y283	D276-K279 HydrophobicContact CB-CB 4.12Å; D276-K279 HydrophobicContact CB-CD 4.08Å; D276-K279 HydrophobicContact CB-CG 4.23Å; D276-K279 PolarHBondContact O-N 3.44Å; D276-K279 VanDerWaalsContact O-N 3.17Å; D276-K279 PolarHBondContact OD1-N 3.37Å; D276-K279 VanDerWaalsContact OD2-CD 3.24Å; D276-K279 WeakPolarHBondContact OD2-CD 3.38Å; D276-K279 WeakPolarHBondContact OD2-CE 3.5Å; D276-K279 VanDerWaalsContact OD2-CG 3.31Å; D276-K279 WeakPolarHBondContact OD2-CG 3.42Å; D276-K279 IonicContact OD2-NZ 3.55Å; K279-I281 PolarHBondContact O-N 3.3Å; K279-T282 PolarHBondContact O-N 3.27Å; K279-Y283 HydrophobicContact CB-CD2 4.32Å; K279-Y283 HydrophobicContact CB-CE2 4.19Å; K279-Y283 WeakPolarHBondContact O-CB 3.49Å; K279-Y283 WeakPolarHBondContact O-CD2 3.24Å; K279-Y283 PolarHBondContact O-N 3.01Å
280	I	87.7	Confident	85.9	Confident	67 Å²	67	110.8 Å²	110.8	34%	0.344	56%	0.557	S	S	.	*	H	α-helix	trans	-60.5	-47.4	178.8	-64.7	171.2	0	0	0	110.6	L275 D276 W277 T282 Y283 Q284	L275-I280 HydrophobicContact CB-CD1 4.18Å; L275-I280 HydrophobicContact CD1-CD1 4.39Å; L275-I280 HydrophobicContact CD2-CD1 4.26Å; D276-I280 PolarHBondContact O-N 3.14Å; W277-I280 HydrophobicContact CE3-CD1 3.95Å; W277-I280 HydrophobicContact CZ3-CD1 4.23Å; W277-I280 PolarHBondContact O-N 2.87Å; I280-T282 VanDerWaalsContact C-N 3.35Å; I280-T282 PolarHBondContact O-N 3.22Å; I280-Y283 PolarHBondContact O-N 2.93Å; I280-Q284 WeakPolarHBondContact O-CB 3.02Å; I280-Q284 PolarHBondContact O-N 2.84Å
281	I	86.4	Confident	85.3	Confident	89 Å²	89	113.9 Å²	113.9	46%	0.456	56%	0.559	S	S	.	*	H	α-helix	trans	-61.2	-45.2	177.2	-66.3	165.2	0	0	0	110.5	W277 N278 K279 Y283 Q284 I285	W277-I281 WeakPolarHBondContact O-CG1 3.48Å; W277-I281 PolarHBondContact O-N 3.42Å; N278-I281 PolarHBondContact O-N 3.47Å; K279-I281 PolarHBondContact O-N 3.3Å; I281-Y283 PolarHBondContact O-N 3.47Å; I281-Q284 PolarHBondContact O-N 2.92Å; I281-I285 HydrophobicContact CG2-CD1 3.69Å; I281-I285 HydrophobicContact CG2-CG1 4.36Å; I281-I285 VanDerWaalsContact O-CG1 3.3Å; I281-I285 WeakPolarHBondContact O-CG1 3.31Å; I281-I285 PolarHBondContact O-N 3.27Å
282	T	86	Confident	84.3	Confident	94 Å²	94	111.7 Å²	111.7	58%	0.577	55%	0.551	S	S	*	*	H	α-helix	trans	-63.4	-39.7	178.5	-53.4	0	0	0	0	112.3	N278 K279 I280 G286	N278-T282 WeakPolarHBondContact O-CB 3.49Å; N278-T282 PolarHBondContact O-N 3.47Å; N278-T282 PolarHBondContact O-OG1 3.41Å; K279-T282 PolarHBondContact O-N 3.27Å; I280-T282 VanDerWaalsContact C-N 3.35Å; I280-T282 PolarHBondContact O-N 3.22Å; T282-G286 PolarHBondContact O-N 2.72Å
283	Y	81.3	Confident	83	Confident	180 Å²	180	106.6 Å²	106.6	71%	0.706	55%	0.545	S	S	*	.	H	α-helix	trans	-67.1	-37.9	175	-78.5	-60.3	0	0	0	112.1	K279 I280 I281 G286 S287	K279-Y283 HydrophobicContact CB-CD2 4.32Å; K279-Y283 HydrophobicContact CB-CE2 4.19Å; K279-Y283 WeakPolarHBondContact O-CB 3.49Å; K279-Y283 WeakPolarHBondContact O-CD2 3.24Å; K279-Y283 PolarHBondContact O-N 3.01Å; I280-Y283 PolarHBondContact O-N 2.93Å; I281-Y283 PolarHBondContact O-N 3.47Å; Y283-G286 PolarHBondContact O-N 3.11Å; Y283-S287 WeakPolarHBondContact O-CB 3.22Å; Y283-S287 PolarHBondContact O-N 3.23Å; Y283-S287 PolarHBondContact O-OG 3.14Å
284	Q	79.3	Confident	82	Confident	109 Å²	109	109.9 Å²	109.9	51%	0.509	57%	0.565	S	S	.	*	H	α-helix	trans	-63.9	-50.1	175.5	-172	174	-14.7	0	0	110.5	I280 I281 G286 S287 E288	I280-Q284 WeakPolarHBondContact O-CB 3.02Å; I280-Q284 PolarHBondContact O-N 2.84Å; I281-Q284 PolarHBondContact O-N 2.92Å; Q284-G286 VanDerWaalsContact C-N 3.33Å; Q284-G286 PolarHBondContact O-N 2.97Å; Q284-S287 PolarHBondContact O-N 3.17Å; Q284-S287 VanDerWaalsContact O-N 3.14Å; Q284-S287 PolarHBondContact O-OG 2.81Å; Q284-E288 WeakPolarHBondContact O-CG 3.46Å; Q284-E288 PolarHBondContact O-N 3.44Å
285	I	78.9	Confident	80.6	Confident	87 Å²	87	112.5 Å²	112.5	45%	0.446	59%	0.588	S	S	.	*	H	α-helix	trans	-59.2	-43.5	175.2	-66.2	168.9	0	0	0	110.9	I281 S287 E288 L289	I281-I285 HydrophobicContact CG2-CD1 3.69Å; I281-I285 HydrophobicContact CG2-CG1 4.36Å; I281-I285 VanDerWaalsContact O-CG1 3.3Å; I281-I285 WeakPolarHBondContact O-CG1 3.31Å; I281-I285 PolarHBondContact O-N 3.27Å; I285-S287 VanDerWaalsContact C-N 3.33Å; I285-S287 PolarHBondContact O-N 3.4Å; I285-E288 PolarHBondContact O-N 2.85Å; I285-L289 HydrophobicContact CG2-CD1 3.7Å; I285-L289 HydrophobicContact CG2-CG 4.43Å; I285-L289 WeakPolarHBondContact O-CB 3.4Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 2.78Å
286	G	77.6	Confident	80	Confident	36 Å²	36	113.6 Å²	113.6	37%	0.371	59%	0.593	S	S	.	*	H	α-helix	trans	-62.1	-38.6	176.5	0	0	0	0	0	112.8	T282 Y283 Q284 S290	T282-G286 PolarHBondContact O-N 2.72Å; Y283-G286 PolarHBondContact O-N 3.11Å; Q284-G286 VanDerWaalsContact C-N 3.33Å; Q284-G286 PolarHBondContact O-N 2.97Å; G286-S290 WeakPolarHBondContact O-CB 3.33Å; G286-S290 PolarHBondContact O-N 3.28Å; G286-S290 PolarHBondContact O-OG 3.48Å
287	S	79.3	Confident	79.4	Confident	48 Å²	48	115.9 Å²	115.9	34%	0.336	61%	0.605	S	S	.	*	H	α-helix	trans	-69.4	-37.6	175.5	76.6	0	0	0	0	112.3	Y283 Q284 I285 S290 R291	Y283-S287 WeakPolarHBondContact O-CB 3.22Å; Y283-S287 PolarHBondContact O-N 3.23Å; Y283-S287 PolarHBondContact O-OG 3.14Å; Q284-S287 PolarHBondContact O-N 3.17Å; Q284-S287 VanDerWaalsContact O-N 3.14Å; Q284-S287 PolarHBondContact O-OG 2.81Å; I285-S287 VanDerWaalsContact C-N 3.33Å; I285-S287 PolarHBondContact O-N 3.4Å; S287-S290 WeakPolarHBondContact CA-OG 3.44Å; S287-S290 PolarHBondContact O-N 2.95Å; S287-S290 PolarHBondContact O-OG 3.01Å; S287-R291 WeakPolarHBondContact O-CG 3.3Å; S287-R291 PolarHBondContact O-N 3.28Å; S287-R291 VanDerWaalsContact O-N 3.14Å
288	E	80	Confident	78.8	Confident	115 Å²	115	112.7 Å²	112.7	54%	0.537	60%	0.602	S	S	.	*	H	α-helix	trans	-67.1	-45	174.6	-73.1	-177.1	-170.7	0	0	111.3	Q284 I285 S290 R291 A292	Q284-E288 WeakPolarHBondContact O-CG 3.46Å; Q284-E288 PolarHBondContact O-N 3.44Å; I285-E288 PolarHBondContact O-N 2.85Å; E288-S290 VanDerWaalsContact C-N 3.29Å; E288-S290 PolarHBondContact O-N 3.49Å; E288-R291 PolarHBondContact O-N 3.17Å; E288-R291 VanDerWaalsContact O-N 3.11Å; E288-A292 PolarHBondContact O-N 3.28Å
289	L	75.9	Confident	78.1	Confident	123 Å²	123	112.2 Å²	112.2	64%	0.644	60%	0.6	S	S	*	*	H	α-helix	trans	-59.7	-37.7	173.6	-80.4	159.8	0	0	0	112.2	I285 R291 A292	I285-L289 HydrophobicContact CG2-CD1 3.7Å; I285-L289 HydrophobicContact CG2-CG 4.43Å; I285-L289 WeakPolarHBondContact O-CB 3.4Å; I285-L289 WeakPolarHBondContact O-CG 3.42Å; I285-L289 PolarHBondContact O-N 2.78Å; L289-R291 VanDerWaalsContact C-N 3.3Å; L289-R291 PolarHBondContact O-N 3.17Å; L289-A292 PolarHBondContact O-N 3.29Å
290	S	79.3	Confident	77.5	Confident	97 Å²	97	111.4 Å²	111.4	68%	0.678	60%	0.603	S	S	*	*	H	α-helix	trans	-72.7	-21	177.1	73.9	0	0	0	0	114.2	G286 S287 E288	G286-S290 WeakPolarHBondContact O-CB 3.33Å; G286-S290 PolarHBondContact O-N 3.28Å; G286-S290 PolarHBondContact O-OG 3.48Å; S287-S290 WeakPolarHBondContact CA-OG 3.44Å; S287-S290 PolarHBondContact O-N 2.95Å; S287-S290 PolarHBondContact O-OG 3.01Å; E288-S290 VanDerWaalsContact C-N 3.29Å; E288-S290 PolarHBondContact O-N 3.49Å
291	R	77.9	Confident	76.9	Confident	209 Å²	209	114.3 Å²	114.3	79%	0.789	62%	0.62	S	S	*	*	H	α-helix	trans	-91.7	-15.7	175.9	-74	177	179.7	177.7	1	112.6	S287 E288 L289	S287-R291 WeakPolarHBondContact O-CG 3.3Å; S287-R291 PolarHBondContact O-N 3.28Å; S287-R291 VanDerWaalsContact O-N 3.14Å; E288-R291 PolarHBondContact O-N 3.17Å; E288-R291 VanDerWaalsContact O-N 3.11Å; L289-R291 VanDerWaalsContact C-N 3.3Å; L289-R291 PolarHBondContact O-N 3.17Å
292	A	71.9	Confident	76.2	Confident	57 Å²	57	116.1 Å²	116.1	47%	0.471	63%	0.632	S	S	.	*	S	Bend	trans	-65	128.4	172.4	0	0	0	0	0	108.7	E288 L289	E288-A292 PolarHBondContact O-N 3.28Å; L289-A292 PolarHBondContact O-N 3.29Å
293	P	65.2	Low	75.4	Confident	104 Å²	104	117.8 Å²	117.8	68%	0.675	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-58.4	144.9	174.4	23.5	-30.9	0	0	0	109.6	N295	P293-N295 PolarHBondContact O-N 2.89Å
294	P	69.6	Low	74.9	Confident	129 Å²	129	112.7 Å²	112.7	84%	0.838	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-59	129.9	170.2	25.5	-30.9	0	0	0	108.1
295	N	64.3	Low	74.5	Confident	238 Å²	238	113 Å²	113	100%	1.273	64%	0.642	S	S	*	*			trans	-59.4	0	169.4	-73.8	-24.2	0	0	0	111.3	P293	P293-N295 PolarHBondContact O-N 2.89Å

Retrieved 295 of 295 residues in 58.7 ms (Link to these results)

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