A0A077Z0V2_TRITR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A077Z0V2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 311 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	60.5	Low	77.6	Confident	137 Å²	137	95.6 Å²	95.6	68%	0.675	50%	0.495	S	S	*	.				0	112.1	0	-149.8	165.7	172.8	0	0	108.4	E5 K6 S9	M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CE-CB 4.15Å; M1-E5 WeakPolarHBondContact CE-O 3.5Å; M1-E5 HydrophobicContact CG-CB 3.54Å; M1-E5 WeakPolarHBondContact CG-OE2 3.07Å; M1-K6 HydrophobicContact CB-CG 4.27Å; M1-K6 HydrophobicContact CG-CG 4.02Å; M1-K6 HydrophobicContact SD-CG 4.25Å; M1-S9 WeakPolarHBondContact CE-OG 3.38Å
2	T	72.8	Confident	79.1	Confident	81 Å²	81	88.6 Å²	88.6	50%	0.497	46%	0.459	S	S	.	.			trans	-66.8	162	178	63.9	0	0	0	0	110.5	V4 E5 K6	T2-V4 PolarHBondContact O-N 2.87Å; T2-E5 PolarHBondContact N-OE2 2.74Å; T2-E5 PolarHBondContact O-N 2.82Å; T2-E5 VanDerWaalsContact O-N 3.17Å; T2-E5 WeakPolarHBondContact OG1-CG 3.46Å; T2-E5 PolarHBondContact OG1-N 3.19Å; T2-K6 PolarHBondContact O-N 2.77Å
3	D	69	Low	80.5	Confident	129 Å²	129	86.4 Å²	86.4	69%	0.69	45%	0.448	S	S	*	.	H	α-helix	trans	-61.8	-29.5	178.1	-70.8	-29.4	0	0	0	112.3	K6 S7	D3-K6 IonicContact OD1-NZ 3.89Å; D3-S7 WeakPolarHBondContact O-CB 3.28Å; D3-S7 PolarHBondContact O-N 3.44Å
4	V	70.1	Confident	81.8	Confident	98 Å²	98	87.9 Å²	87.9	59%	0.594	45%	0.452	S	S	*	.	H	α-helix	trans	-64.5	-51.4	172.3	-178.6	0	0	0	0	110.6	T2 K6 S7 E8	T2-V4 PolarHBondContact O-N 2.87Å; V4-K6 VanDerWaalsContact C-N 3.27Å; V4-K6 PolarHBondContact O-N 3.48Å; V4-S7 WeakPolarHBondContact O-CB 3.37Å; V4-S7 PolarHBondContact O-N 3.27Å; V4-S7 VanDerWaalsContact O-N 3.09Å; V4-E8 HydrophobicContact CG1-CG 4.47Å; V4-E8 WeakPolarHBondContact O-CG 3.49Å; V4-E8 PolarHBondContact O-N 3.33Å
5	E	73.6	Confident	82.9	Confident	94 Å²	94	82.5 Å²	82.5	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-59.7	-37.4	178.3	-74	170	166.4	0	0	112.4	M1 T2 S9	M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CE-CB 4.15Å; M1-E5 WeakPolarHBondContact CE-O 3.5Å; M1-E5 HydrophobicContact CG-CB 3.54Å; M1-E5 WeakPolarHBondContact CG-OE2 3.07Å; T2-E5 PolarHBondContact N-OE2 2.74Å; T2-E5 PolarHBondContact O-N 2.82Å; T2-E5 VanDerWaalsContact O-N 3.17Å; T2-E5 WeakPolarHBondContact OG1-CG 3.46Å; T2-E5 PolarHBondContact OG1-N 3.19Å; E5-S9 WeakPolarHBondContact O-CB 3.24Å; E5-S9 PolarHBondContact O-N 3.49Å; E5-S9 PolarHBondContact O-OG 2.92Å
6	K	72.7	Confident	83.9	Confident	114 Å²	114	77.9 Å²	77.9	50%	0.496	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-41.9	175.1	-71.7	178.5	-173.6	167.3	0	112	M1 T2 D3 V4 S9 K10	M1-K6 HydrophobicContact CB-CG 4.27Å; M1-K6 HydrophobicContact CG-CG 4.02Å; M1-K6 HydrophobicContact SD-CG 4.25Å; T2-K6 PolarHBondContact O-N 2.77Å; D3-K6 IonicContact OD1-NZ 3.89Å; V4-K6 VanDerWaalsContact C-N 3.27Å; V4-K6 PolarHBondContact O-N 3.48Å; K6-S9 PolarHBondContact O-N 2.89Å; K6-K10 PolarHBondContact O-N 2.83Å; K6-K10 VanDerWaalsContact O-N 3.08Å
7	S	78.5	Confident	84.7	Confident	82 Å²	82	80.9 Å²	80.9	57%	0.573	41%	0.412	S	S	*	.	H	α-helix	trans	-64.7	-47	177.4	-171.3	0	0	0	0	111.4	D3 V4 S9 K10 E11	D3-S7 WeakPolarHBondContact O-CB 3.28Å; D3-S7 PolarHBondContact O-N 3.44Å; V4-S7 WeakPolarHBondContact O-CB 3.37Å; V4-S7 PolarHBondContact O-N 3.27Å; V4-S7 VanDerWaalsContact O-N 3.09Å; S7-S9 VanDerWaalsContact C-N 3.31Å; S7-S9 PolarHBondContact O-N 3.2Å; S7-K10 PolarHBondContact O-N 3.12Å; S7-E11 PolarHBondContact O-N 3.32Å; S7-E11 VanDerWaalsContact O-N 3.1Å
8	E	82.7	Confident	85.5	Confident	80 Å²	80	80.7 Å²	80.7	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-39.7	177.4	-68.3	-164.2	153.8	0	0	112.1	V4 K10 E11 L12 K36	V4-E8 HydrophobicContact CG1-CG 4.47Å; V4-E8 WeakPolarHBondContact O-CG 3.49Å; V4-E8 PolarHBondContact O-N 3.33Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 3.2Å; E8-E11 PolarHBondContact O-N 3.09Å; E8-L12 PolarHBondContact O-N 2.92Å; E8-K36 IonicContact OE1-NZ 3.7Å; E8-K36 PolarHBondContact OE1-NZ 2.94Å; E8-K36 IonicContact OE2-NZ 3.85Å; E8-K36 PolarHBondContact OE2-NZ 2.68Å
9	S	87.6	Confident	86.1	Confident	21 Å²	21	76.4 Å²	76.4	15%	0.147	39%	0.388	C	S	.	.	H	α-helix	trans	-65.7	-38.4	177.6	-61.9	0	0	0	0	112.1	M1 E5 K6 S7 L12 D13	M1-S9 WeakPolarHBondContact CE-OG 3.38Å; E5-S9 WeakPolarHBondContact O-CB 3.24Å; E5-S9 PolarHBondContact O-N 3.49Å; E5-S9 PolarHBondContact O-OG 2.92Å; K6-S9 PolarHBondContact O-N 2.89Å; S7-S9 VanDerWaalsContact C-N 3.31Å; S7-S9 PolarHBondContact O-N 3.2Å; S9-L12 PolarHBondContact O-N 3.15Å; S9-D13 WeakPolarHBondContact O-CB 3.2Å; S9-D13 PolarHBondContact O-N 3.36Å
10	K	91.1	Very high	86.7	Confident	136 Å²	136	74.8 Å²	74.8	59%	0.591	38%	0.377	S	S	*	.	H	α-helix	trans	-65.9	-39.2	177.3	-172.6	-178.1	177.1	-173.9	0	112.2	K6 S7 E8 D13 Q14	K6-K10 PolarHBondContact O-N 2.83Å; K6-K10 VanDerWaalsContact O-N 3.08Å; S7-K10 PolarHBondContact O-N 3.12Å; E8-K10 VanDerWaalsContact C-N 3.34Å; E8-K10 PolarHBondContact O-N 3.2Å; K10-D13 PolarHBondContact O-N 2.93Å; K10-Q14 WeakPolarHBondContact O-CG 3.15Å; K10-Q14 PolarHBondContact O-N 3.47Å; K10-Q14 VanDerWaalsContact O-N 3.15Å
11	E	94.5	Very high	87.2	Confident	80 Å²	80	77.1 Å²	77.1	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-47.5	175.2	-178.8	176.9	-124.9	0	0	111.1	S7 E8 D13 Q14 W15	S7-E11 PolarHBondContact O-N 3.32Å; S7-E11 VanDerWaalsContact O-N 3.1Å; E8-E11 PolarHBondContact O-N 3.09Å; E11-D13 VanDerWaalsContact C-N 3.34Å; E11-D13 PolarHBondContact O-N 2.75Å; E11-Q14 WeakPolarHBondContact O-CB 3.41Å; E11-Q14 PolarHBondContact O-N 2.81Å; E11-Q14 VanDerWaalsContact O-N 3.17Å; E11-W15 HydrophobicContact CG-CD2 4.44Å; E11-W15 HydrophobicContact CG-CH2 4.49Å; E11-W15 HydrophobicContact CG-CZ2 3.77Å; E11-W15 PolarHBondContact O-N 3.38Å
12	L	96.4	Very high	88.9	Confident	11 Å²	11	72.2 Å²	72.2	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-40.7	175.4	-77.5	167	0	0	0	112.8	E8 S9 Q14 W15 I16 L33 V107 R108	E8-L12 PolarHBondContact O-N 2.92Å; S9-L12 PolarHBondContact O-N 3.15Å; L12-Q14 VanDerWaalsContact C-N 3.28Å; L12-Q14 PolarHBondContact O-N 2.87Å; L12-W15 HydrophobicContact CD2-CE3 3.85Å; L12-W15 HydrophobicContact CD2-CZ3 4.1Å; L12-W15 PolarHBondContact O-N 3.09Å; L12-I16 WeakPolarHBondContact O-CB 3.27Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.17Å; L12-L33 HydrophobicContact CD2-CD1 4.13Å; L12-V107 HydrophobicContact CD1-CG1 3.78Å; L12-V107 HydrophobicContact CD2-CG1 4.05Å; L12-R108 HydrophobicContact CB-CB 4.46Å
13	D	97.5	Very high	90	Very high	60 Å²	60	69.4 Å²	69.4	32%	0.321	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-38.2	177.1	-69.7	-24.1	0	0	0	111	S9 K10 E11 I16 E17 R108	S9-D13 WeakPolarHBondContact O-CB 3.2Å; S9-D13 PolarHBondContact O-N 3.36Å; K10-D13 PolarHBondContact O-N 2.93Å; E11-D13 VanDerWaalsContact C-N 3.34Å; E11-D13 PolarHBondContact O-N 2.75Å; D13-I16 PolarHBondContact O-N 3.48Å; D13-E17 PolarHBondContact O-N 3.41Å; D13-R108 IonicContact OD1-CZ 2.81Å; D13-R108 IonicContact OD1-NE 3.76Å; D13-R108 PolarHBondContact OD1-NE 3.03Å; D13-R108 IonicContact OD1-NH2 2.94Å; D13-R108 PolarHBondContact OD1-NH2 2.89Å; D13-R108 IonicContact OD2-NE 2.79Å; D13-R108 IonicContact OD2-NH2 3.37Å; D13-R108 PolarHBondContact OD2-NH2 3.35Å
14	Q	98	Very high	91.3	Very high	107 Å²	107	66.6 Å²	66.6	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-68	-42.6	174.9	-71.6	173.9	-12	0	0	112.5	K10 E11 L12 I16 E17 Q18	K10-Q14 WeakPolarHBondContact O-CG 3.15Å; K10-Q14 PolarHBondContact O-N 3.47Å; K10-Q14 VanDerWaalsContact O-N 3.15Å; E11-Q14 WeakPolarHBondContact O-CB 3.41Å; E11-Q14 PolarHBondContact O-N 2.81Å; E11-Q14 VanDerWaalsContact O-N 3.17Å; L12-Q14 VanDerWaalsContact C-N 3.28Å; L12-Q14 PolarHBondContact O-N 2.87Å; Q14-I16 VanDerWaalsContact C-N 3.33Å; Q14-I16 PolarHBondContact O-N 2.94Å; Q14-E17 PolarHBondContact O-N 2.94Å; Q14-Q18 WeakPolarHBondContact O-CB 3.36Å; Q14-Q18 PolarHBondContact O-N 3.42Å
15	W	98.4	Very high	92.7	Very high	8 Å²	8	62 Å²	62	3%	0.03	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-43.2	174.6	-69.5	-6.1	0	0	0	111.7	E11 L12 Q18 L19 L25 E29 I32 L33	E11-W15 HydrophobicContact CG-CD2 4.44Å; E11-W15 HydrophobicContact CG-CH2 4.49Å; E11-W15 HydrophobicContact CG-CZ2 3.77Å; E11-W15 PolarHBondContact O-N 3.38Å; L12-W15 HydrophobicContact CD2-CE3 3.85Å; L12-W15 HydrophobicContact CD2-CZ3 4.1Å; L12-W15 PolarHBondContact O-N 3.09Å; W15-Q18 PolarHBondContact O-N 3.33Å; W15-L19 WeakPolarHBondContact O-CB 3.19Å; W15-L19 WeakPolarHBondContact O-CD1 3.41Å; W15-L19 WeakPolarHBondContact O-CG 3.42Å; W15-L19 PolarHBondContact O-N 3.42Å; W15-L25 HydrophobicContact CB-CD1 4.15Å; W15-L25 HydrophobicContact CB-CD2 3.83Å; W15-L25 HydrophobicContact CD2-CD1 3.95Å; W15-L25 HydrophobicContact CD2-CD2 4.43Å; W15-L25 HydrophobicContact CE3-CD1 3.93Å; W15-L25 HydrophobicContact CG-CD1 4.05Å; W15-L25 HydrophobicContact CG-CD2 3.79Å; W15-E29 HydrophobicContact CH2-CB 4.13Å; W15-E29 HydrophobicContact CH2-CG 4.37Å; W15-E29 HydrophobicContact CZ2-CB 3.76Å; W15-E29 HydrophobicContact CZ2-CG 3.57Å; W15-E29 PolarHBondContact NE1-OE1 3.33Å; W15-I32 HydrophobicContact CH2-CB 4.19Å; W15-I32 HydrophobicContact CH2-CG2 3.97Å; W15-L33 HydrophobicContact CZ3-CB 4.01Å
16	I	98.5	Very high	93.9	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.046	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-45.2	176.9	-71.9	163.8	0	0	0	110.5	L12 D13 Q14 Q18 L19 Y20 L101 A104 L105 R108 Y109	L12-I16 WeakPolarHBondContact O-CB 3.27Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.33Å; L12-I16 PolarHBondContact O-N 3.17Å; D13-I16 PolarHBondContact O-N 3.48Å; Q14-I16 VanDerWaalsContact C-N 3.33Å; Q14-I16 PolarHBondContact O-N 2.94Å; I16-Q18 PolarHBondContact O-N 3.49Å; I16-L19 PolarHBondContact O-N 3.5Å; I16-Y20 HydrophobicContact CG2-CD2 3.55Å; I16-Y20 HydrophobicContact CG2-CE2 3.41Å; I16-Y20 VanDerWaalsContact CG2-CE2 3.41Å; I16-Y20 VanDerWaalsContact O-CD2 3.25Å; I16-Y20 WeakPolarHBondContact O-CD2 3.41Å; I16-Y20 PolarHBondContact O-N 2.91Å; I16-L101 HydrophobicContact CG2-CD1 4.32Å; I16-A104 HydrophobicContact CD1-CB 4.49Å; I16-A104 HydrophobicContact CG1-CB 3.77Å; I16-L105 HydrophobicContact CD1-CD2 4.19Å; I16-L105 HydrophobicContact CG1-CD2 4.44Å; I16-L105 HydrophobicContact CG2-CD2 4.04Å; I16-R108 HydrophobicContact CD1-CB 3.57Å; I16-R108 HydrophobicContact CD1-CG 3.69Å; I16-Y109 HydrophobicContact CD1-CE2 4.3Å
17	E	98.1	Very high	95.1	Very high	129 Å²	129	58.1 Å²	58.1	60%	0.603	30%	0.299	S	S	*	.	H	α-helix	trans	-60.9	-43.7	176	-174.6	178.7	-172.3	0	0	112.1	D13 Q14 L19 Y20 N21	D13-E17 PolarHBondContact O-N 3.41Å; Q14-E17 PolarHBondContact O-N 2.94Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.67Å; E17-Y20 PolarHBondContact O-N 3.44Å; E17-N21 PolarHBondContact O-N 3.06Å; E17-N21 PolarHBondContact O-ND2 2.89Å
18	Q	98.3	Very high	96.1	Very high	76 Å²	76	57.9 Å²	57.9	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-59.8	-44.9	174.8	177.1	177.4	-36.7	0	0	111.5	Q14 W15 I16 N21 G23 Q24	Q14-Q18 WeakPolarHBondContact O-CB 3.36Å; Q14-Q18 PolarHBondContact O-N 3.42Å; W15-Q18 PolarHBondContact O-N 3.33Å; I16-Q18 PolarHBondContact O-N 3.49Å; Q18-N21 CarbonylContact O-C 3.59Å; Q18-N21 PolarHBondContact O-N 2.98Å; Q18-N21 VanDerWaalsContact O-N 3.15Å; Q18-G23 WeakPolarHBondContact CG-O 3.47Å; Q18-G23 WeakPolarHBondContact O-CA 3.3Å; Q18-G23 PolarHBondContact O-N 3.5Å; Q18-Q24 PolarHBondContact NE2-O 3.49Å
19	L	98.3	Very high	96.8	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-40.7	-179.8	-73.6	161.7	0	0	0	112.1	W15 I16 E17 N21 C22 G23 L25 F64 T100 L101 A104	W15-L19 WeakPolarHBondContact O-CB 3.19Å; W15-L19 WeakPolarHBondContact O-CD1 3.41Å; W15-L19 WeakPolarHBondContact O-CG 3.42Å; W15-L19 PolarHBondContact O-N 3.42Å; I16-L19 PolarHBondContact O-N 3.5Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.67Å; L19-N21 PolarHBondContact O-N 2.94Å; L19-N21 VanDerWaalsContact O-N 3.13Å; L19-C22 WeakPolarHBondContact O-CA 3.41Å; L19-C22 PolarHBondContact O-N 2.88Å; L19-G23 WeakPolarHBondContact CD2-O 3.36Å; L19-L25 HydrophobicContact CD1-CD1 4.19Å; L19-L25 HydrophobicContact CD1-CD2 4.42Å; L19-L25 HydrophobicContact CD1-CG 4.21Å; L19-L25 HydrophobicContact CD2-CG 4.28Å; L19-L25 HydrophobicContact CG-CD2 4.31Å; L19-L25 HydrophobicContact CG-CG 4.3Å; L19-F64 WeakPolarHBondContact O-CE2 3.26Å; L19-F64 WeakPolarHBondContact O-CZ 3.36Å; L19-T100 HydrophobicContact CD1-CG2 3.7Å; L19-T100 HydrophobicContact CD2-CG2 3.73Å; L19-T100 HydrophobicContact CG-CG2 4.36Å; L19-L101 HydrophobicContact CB-CB 4.18Å; L19-L101 HydrophobicContact CB-CD1 3.91Å; L19-A104 HydrophobicContact CD1-CB 3.96Å
20	Y	97.4	Very high	97.4	Very high	43 Å²	43	55.1 Å²	55.1	17%	0.169	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-26.6	172.8	-90.4	-64.3	0	0	0	112.8	I16 E17 C22 M68 F71 L101	I16-Y20 HydrophobicContact CG2-CD2 3.55Å; I16-Y20 HydrophobicContact CG2-CE2 3.41Å; I16-Y20 VanDerWaalsContact CG2-CE2 3.41Å; I16-Y20 VanDerWaalsContact O-CD2 3.25Å; I16-Y20 WeakPolarHBondContact O-CD2 3.41Å; I16-Y20 PolarHBondContact O-N 2.91Å; E17-Y20 PolarHBondContact O-N 3.44Å; Y20-C22 VanDerWaalsContact C-N 3.27Å; Y20-C22 PolarHBondContact O-N 2.95Å; Y20-M68 HydrophobicContact CD1-CE 4.03Å; Y20-M68 HydrophobicContact CD1-SD 3.61Å; Y20-M68 HydrophobicContact CE1-CE 4.2Å; Y20-M68 HydrophobicContact CE1-SD 4.18Å; Y20-F71 AromaticContact CE1-CD2 3.84Å; Y20-F71 HydrophobicContact CE1-CD2 3.84Å; Y20-F71 HydrophobicContact CE1-CE2 4.25Å; Y20-L101 HydrophobicContact CD1-CD2 4.31Å; Y20-L101 HydrophobicContact CD2-CD1 4.29Å; Y20-L101 HydrophobicContact CE1-CD2 4.26Å; Y20-L101 HydrophobicContact CE2-CD1 4.24Å
21	N	96.5	Very high	97.7	Very high	125 Å²	125	52.6 Å²	52.6	67%	0.668	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	15.7	173.9	-67.3	-63	0	0	0	113.3	E17 Q18 L19 G23	E17-N21 PolarHBondContact O-N 3.06Å; E17-N21 PolarHBondContact O-ND2 2.89Å; Q18-N21 CarbonylContact O-C 3.59Å; Q18-N21 PolarHBondContact O-N 2.98Å; Q18-N21 VanDerWaalsContact O-N 3.15Å; L19-N21 PolarHBondContact O-N 2.94Å; L19-N21 VanDerWaalsContact O-N 3.13Å; N21-G23 PolarHBondContact O-N 3.35Å
22	C	96.6	Very high	97.9	Very high	33 Å²	33	52.3 Å²	52.3	22%	0.223	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	28.2	-176.1	-160.2	0	0	0	0	113.5	L19 Y20 F64	L19-C22 WeakPolarHBondContact O-CA 3.41Å; L19-C22 PolarHBondContact O-N 2.88Å; Y20-C22 VanDerWaalsContact C-N 3.27Å; Y20-C22 PolarHBondContact O-N 2.95Å; C22-F64 HydrophobicContact CB-CD1 3.96Å; C22-F64 HydrophobicContact CB-CE1 3.62Å; C22-F64 HydrophobicContact CB-CZ 4.27Å
23	G	96.9	Very high	98	Very high	22 Å²	22	51.8 Å²	51.8	23%	0.227	27%	0.269	C	S	.	.			trans	-90.7	112.5	175.1	0	0	0	0	0	111.7	Q18 L19 N21	Q18-G23 WeakPolarHBondContact CG-O 3.47Å; Q18-G23 WeakPolarHBondContact O-CA 3.3Å; Q18-G23 PolarHBondContact O-N 3.5Å; L19-G23 WeakPolarHBondContact CD2-O 3.36Å; N21-G23 PolarHBondContact O-N 3.35Å
24	Q	96.2	Very high	98.1	Very high	70 Å²	70	49 Å²	49	33%	0.327	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-62.1	143.8	174.6	66.2	177.8	76.8	0	0	111.9	Q18 V96 K138	Q18-Q24 PolarHBondContact NE2-O 3.49Å; Q24-V96 HydrophobicContact CB-CG1 4.48Å; Q24-K138 PolarHBondContact NE2-O 3.37Å
25	L	98.5	Very high	98.1	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-74.9	160.7	170.6	-59.4	-174.4	0	0	0	111	W15 L19 E29 V30 L33 T100 Y139	W15-L25 HydrophobicContact CB-CD1 4.15Å; W15-L25 HydrophobicContact CB-CD2 3.83Å; W15-L25 HydrophobicContact CD2-CD1 3.95Å; W15-L25 HydrophobicContact CD2-CD2 4.43Å; W15-L25 HydrophobicContact CE3-CD1 3.93Å; W15-L25 HydrophobicContact CG-CD1 4.05Å; W15-L25 HydrophobicContact CG-CD2 3.79Å; L19-L25 HydrophobicContact CD1-CD1 4.19Å; L19-L25 HydrophobicContact CD1-CD2 4.42Å; L19-L25 HydrophobicContact CD1-CG 4.21Å; L19-L25 HydrophobicContact CD2-CG 4.28Å; L19-L25 HydrophobicContact CG-CD2 4.31Å; L19-L25 HydrophobicContact CG-CG 4.3Å; L25-E29 HydrophobicContact CB-CB 3.96Å; L25-E29 HydrophobicContact CD1-CB 4.27Å; L25-V30 HydrophobicContact CB-CG2 3.96Å; L25-L33 HydrophobicContact CD1-CD2 4.28Å; L25-T100 HydrophobicContact CD1-CG2 3.64Å; L25-T100 HydrophobicContact CG-CG2 3.92Å; L25-Y139 WeakPolarHBondContact O-CE1 3.44Å; L25-Y139 PolarHBondContact O-OH 2.88Å
26	T	98.5	Very high	98.1	Very high	70 Å²	70	49 Å²	49	43%	0.429	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-68	159.1	171.1	64.9	0	0	0	0	111.6	S28 E29 V30	T26-S28 PolarHBondContact O-N 2.98Å; T26-S28 PolarHBondContact OG1-OG 3.37Å; T26-E29 VanDerWaalsContact CB-OE2 3.31Å; T26-E29 WeakPolarHBondContact CB-OE2 3.36Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.38Å; T26-E29 PolarHBondContact N-OE2 3.46Å; T26-E29 PolarHBondContact O-N 3.23Å; T26-E29 VanDerWaalsContact O-N 3.13Å; T26-E29 WeakPolarHBondContact OG1-CB 3.5Å; T26-E29 WeakPolarHBondContact OG1-CG 3.26Å; T26-E29 PolarHBondContact OG1-N 3.32Å; T26-E29 PolarHBondContact OG1-OE2 3.26Å; T26-V30 WeakPolarHBondContact O-CG2 3.49Å; T26-V30 PolarHBondContact O-N 2.91Å
27	E	98.7	Very high	98.1	Very high	56 Å²	56	48.5 Å²	48.5	26%	0.262	25%	0.254	S	S	.	.	H	α-helix	trans	-55.2	-40.3	178.5	180	-179.6	141.1	0	0	112.5	V30 K31 Y139 T141 N143 V144 Y147	E27-V30 PolarHBondContact O-N 2.83Å; E27-K31 PolarHBondContact O-N 3.05Å; E27-Y139 HydrophobicContact CB-CD1 4.15Å; E27-T141 PolarHBondContact OE2-OG1 3Å; E27-N143 HydrophobicContact CG-CB 4.35Å; E27-N143 VanDerWaalsContact OE1-CB 3.26Å; E27-N143 WeakPolarHBondContact OE1-CB 3.22Å; E27-N143 PolarHBondContact OE1-ND2 3.28Å; E27-V144 HydrophobicContact CB-CG2 4.19Å; E27-V144 HydrophobicContact CG-CG2 3.91Å; E27-Y147 HydrophobicContact CG-CE2 3.86Å
28	S	98.5	Very high	98.2	Very high	77 Å²	77	44.2 Å²	44.2	54%	0.538	23%	0.233	S	C	.	.	H	α-helix	trans	-66.5	-40.5	178.1	43.6	0	0	0	0	112.8	T26 K31 I32	T26-S28 PolarHBondContact O-N 2.98Å; T26-S28 PolarHBondContact OG1-OG 3.37Å; S28-K31 WeakPolarHBondContact O-CB 3.47Å; S28-K31 PolarHBondContact O-N 3.05Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 3.2Å
29	E	98.6	Very high	98.2	Very high	43 Å²	43	46.2 Å²	46.2	20%	0.201	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-42	177.8	-69.8	167.3	139.6	0	0	110.7	W15 L25 T26 K31 I32 L33	W15-E29 HydrophobicContact CH2-CB 4.13Å; W15-E29 HydrophobicContact CH2-CG 4.37Å; W15-E29 HydrophobicContact CZ2-CB 3.76Å; W15-E29 HydrophobicContact CZ2-CG 3.57Å; W15-E29 PolarHBondContact NE1-OE1 3.33Å; L25-E29 HydrophobicContact CB-CB 3.96Å; L25-E29 HydrophobicContact CD1-CB 4.27Å; T26-E29 VanDerWaalsContact CB-OE2 3.31Å; T26-E29 WeakPolarHBondContact CB-OE2 3.36Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.38Å; T26-E29 PolarHBondContact N-OE2 3.46Å; T26-E29 PolarHBondContact O-N 3.23Å; T26-E29 VanDerWaalsContact O-N 3.13Å; T26-E29 WeakPolarHBondContact OG1-CB 3.5Å; T26-E29 WeakPolarHBondContact OG1-CG 3.26Å; T26-E29 PolarHBondContact OG1-N 3.32Å; T26-E29 PolarHBondContact OG1-OE2 3.26Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.09Å; E29-I32 PolarHBondContact O-N 3.19Å; E29-L33 WeakPolarHBondContact O-CB 3.47Å; E29-L33 PolarHBondContact O-N 3.27Å
30	V	98.9	Very high	98.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-43.3	173.7	173.8	0	0	0	0	111.1	L25 T26 E27 L33 C34 V144 Y147 F148	L25-V30 HydrophobicContact CB-CG2 3.96Å; T26-V30 WeakPolarHBondContact O-CG2 3.49Å; T26-V30 PolarHBondContact O-N 2.91Å; E27-V30 PolarHBondContact O-N 2.83Å; V30-L33 PolarHBondContact O-N 2.59Å; V30-C34 WeakPolarHBondContact O-CB 3.41Å; V30-C34 PolarHBondContact O-N 3.13Å; V30-C34 PolarHBondContact O-SG 2.96Å; V30-V144 HydrophobicContact CB-CG2 4.49Å; V30-V144 HydrophobicContact CG1-CG1 4.04Å; V30-V144 HydrophobicContact CG1-CG2 4.44Å; V30-Y147 HydrophobicContact CG1-CD2 4.47Å; V30-F148 HydrophobicContact CG1-CD2 4.23Å; V30-F148 HydrophobicContact CG1-CE1 4.39Å; V30-F148 HydrophobicContact CG1-CE2 3.54Å; V30-F148 HydrophobicContact CG1-CZ 3.61Å
31	K	98.8	Very high	98.3	Very high	83 Å²	83	45.5 Å²	45.5	36%	0.361	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-49.5	176.7	-171.1	-172.7	176.7	-61.2	0	111.5	E27 S28 E29 L33 C34 D35 Y147	E27-K31 PolarHBondContact O-N 3.05Å; S28-K31 WeakPolarHBondContact O-CB 3.47Å; S28-K31 PolarHBondContact O-N 3.05Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 3.09Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.12Å; K31-C34 PolarHBondContact O-N 3.39Å; K31-D35 IonicContact NZ-OD2 3.66Å; K31-D35 PolarHBondContact NZ-OD2 3.05Å; K31-D35 VanDerWaalsContact O-CG 3.31Å; K31-D35 PolarHBondContact O-N 3.38Å; K31-Y147 HydrophobicContact CB-CD2 3.88Å; K31-Y147 HydrophobicContact CB-CE2 3.71Å; K31-Y147 HydrophobicContact CB-CG 4.4Å; K31-Y147 HydrophobicContact CD-CE1 4.15Å; K31-Y147 HydrophobicContact CD-CE2 4.44Å; K31-Y147 HydrophobicContact CG-CD1 4.25Å; K31-Y147 HydrophobicContact CG-CD2 4.3Å; K31-Y147 HydrophobicContact CG-CE1 4Å; K31-Y147 HydrophobicContact CG-CE2 4.07Å; K31-Y147 HydrophobicContact CG-CG 4.41Å
32	I	98.5	Very high	98.3	Very high	75 Å²	75	42.6 Å²	42.6	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-60.7	-44.2	179.1	-67.7	165	0	0	0	110.6	W15 S28 E29 C34 D35 K36	W15-I32 HydrophobicContact CH2-CB 4.19Å; W15-I32 HydrophobicContact CH2-CG2 3.97Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 3.2Å; E29-I32 PolarHBondContact O-N 3.19Å; I32-C34 PolarHBondContact O-N 3.46Å; I32-D35 PolarHBondContact O-N 2.93Å; I32-K36 HydrophobicContact CG2-CD 4.28Å; I32-K36 WeakPolarHBondContact O-CG 3.42Å; I32-K36 PolarHBondContact O-N 3.12Å
33	L	98.8	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-47.3	177.5	178.1	64.1	0	0	0	111.5	L12 W15 L25 E29 V30 K31 D35 K36 A37 T100 V103 A104 V107	L12-L33 HydrophobicContact CD2-CD1 4.13Å; W15-L33 HydrophobicContact CZ3-CB 4.01Å; L25-L33 HydrophobicContact CD1-CD2 4.28Å; E29-L33 WeakPolarHBondContact O-CB 3.47Å; E29-L33 PolarHBondContact O-N 3.27Å; V30-L33 PolarHBondContact O-N 2.59Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.12Å; L33-D35 PolarHBondContact O-N 3.02Å; L33-K36 PolarHBondContact O-N 2.87Å; L33-A37 WeakPolarHBondContact O-CB 3.49Å; L33-A37 PolarHBondContact O-N 2.9Å; L33-T100 HydrophobicContact CD2-CG2 3.71Å; L33-V103 HydrophobicContact CD1-CG1 4.18Å; L33-V103 HydrophobicContact CD2-CB 4.39Å; L33-V103 HydrophobicContact CD2-CG1 4.13Å; L33-V103 HydrophobicContact CG-CG1 3.87Å; L33-A104 HydrophobicContact CD1-CB 4.19Å; L33-A104 HydrophobicContact CD2-CB 4.14Å; L33-V107 HydrophobicContact CD1-CB 4.06Å; L33-V107 HydrophobicContact CD1-CG1 4.49Å; L33-V107 HydrophobicContact CD1-CG2 3.77Å
34	C	98.9	Very high	98.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-42	178.3	-68	0	0	0	0	111.9	V30 K31 I32 A37 K38 L151	V30-C34 WeakPolarHBondContact O-CB 3.41Å; V30-C34 PolarHBondContact O-N 3.13Å; V30-C34 PolarHBondContact O-SG 2.96Å; K31-C34 PolarHBondContact O-N 3.39Å; I32-C34 PolarHBondContact O-N 3.46Å; C34-A37 PolarHBondContact O-N 3.35Å; C34-K38 WeakPolarHBondContact O-CG 3.4Å; C34-K38 PolarHBondContact O-N 3.14Å; C34-L151 HydrophobicContact CB-CB 4.39Å; C34-L151 HydrophobicContact CB-CD2 4.3Å
35	D	98.7	Very high	98.6	Very high	70 Å²	70	46.9 Å²	46.9	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-63.4	-42.7	178.4	-70.4	-22.3	0	0	0	111.2	K31 I32 L33 K38 E39	K31-D35 IonicContact NZ-OD2 3.66Å; K31-D35 PolarHBondContact NZ-OD2 3.05Å; K31-D35 VanDerWaalsContact O-CG 3.31Å; K31-D35 PolarHBondContact O-N 3.38Å; I32-D35 PolarHBondContact O-N 2.93Å; L33-D35 PolarHBondContact O-N 3.02Å; D35-K38 PolarHBondContact O-N 3.17Å; D35-E39 PolarHBondContact O-N 3.41Å
36	K	98.5	Very high	98.6	Very high	44 Å²	44	47.3 Å²	47.3	19%	0.191	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-41.9	173.6	-73.6	179.8	177.7	-73.8	0	111.9	E8 I32 L33 E39 I40 V107	E8-K36 IonicContact OE1-NZ 3.7Å; E8-K36 PolarHBondContact OE1-NZ 2.94Å; E8-K36 IonicContact OE2-NZ 3.85Å; E8-K36 PolarHBondContact OE2-NZ 2.68Å; I32-K36 HydrophobicContact CG2-CD 4.28Å; I32-K36 WeakPolarHBondContact O-CG 3.42Å; I32-K36 PolarHBondContact O-N 3.12Å; L33-K36 PolarHBondContact O-N 2.87Å; K36-E39 PolarHBondContact O-N 2.74Å; K36-I40 PolarHBondContact O-N 3.31Å; K36-V107 HydrophobicContact CB-CG1 3.96Å; K36-V107 HydrophobicContact CB-CG2 4.38Å; K36-V107 HydrophobicContact CD-CG1 4.34Å
37	A	98.8	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-41.6	178.5	0	0	0	0	0	112.2	L33 C34 E39 I40 L41 V103 V107 L151	L33-A37 WeakPolarHBondContact O-CB 3.49Å; L33-A37 PolarHBondContact O-N 2.9Å; C34-A37 PolarHBondContact O-N 3.35Å; A37-E39 VanDerWaalsContact C-N 3.3Å; A37-E39 PolarHBondContact O-N 3.16Å; A37-I40 PolarHBondContact O-N 3.32Å; A37-I40 VanDerWaalsContact O-N 3.16Å; A37-L41 HydrophobicContact CB-CD1 4.24Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 WeakPolarHBondContact O-CD1 3.4Å; A37-L41 WeakPolarHBondContact O-CG 3.08Å; A37-L41 PolarHBondContact O-N 2.83Å; A37-V103 HydrophobicContact CB-CG1 3.58Å; A37-V107 HydrophobicContact CB-CG2 3.65Å; A37-L151 HydrophobicContact CB-CD1 3.57Å; A37-L151 HydrophobicContact CB-CD2 4.04Å; A37-L151 HydrophobicContact CB-CG 4.49Å
38	K	98.8	Very high	98.7	Very high	39 Å²	39	43 Å²	43	17%	0.17	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-41.4	174.1	-72.5	176.4	-177	175	0	112	C34 D35 I40 S42 D150 L151 Y154	C34-K38 WeakPolarHBondContact O-CG 3.4Å; C34-K38 PolarHBondContact O-N 3.14Å; D35-K38 PolarHBondContact O-N 3.17Å; K38-I40 VanDerWaalsContact C-N 3.29Å; K38-I40 PolarHBondContact O-N 2.87Å; K38-S42 WeakPolarHBondContact O-CB 3.21Å; K38-S42 PolarHBondContact O-N 2.91Å; K38-S42 PolarHBondContact O-OG 3.32Å; K38-S42 VanDerWaalsContact O-OG 3.11Å; K38-D150 VanDerWaalsContact CE-C 3.49Å; K38-D150 VanDerWaalsContact CE-O 3.25Å; K38-D150 WeakPolarHBondContact CE-O 3.32Å; K38-D150 VanDerWaalsContact NZ-CB 3.34Å; K38-L151 HydrophobicContact CG-CD1 3.72Å; K38-Y154 HydrophobicContact CB-CD1 4.33Å; K38-Y154 HydrophobicContact CB-CD2 4.45Å; K38-Y154 HydrophobicContact CB-CE1 4.34Å; K38-Y154 HydrophobicContact CB-CE2 4.45Å; K38-Y154 HydrophobicContact CB-CG 4.39Å; K38-Y154 HydrophobicContact CD-CD2 4.18Å; K38-Y154 HydrophobicContact CD-CE2 3.82Å; K38-Y154 HydrophobicContact CG-CD1 4.47Å; K38-Y154 HydrophobicContact CG-CD2 3.74Å; K38-Y154 HydrophobicContact CG-CE2 3.84Å; K38-Y154 HydrophobicContact CG-CG 4.07Å
39	E	98.3	Very high	98.7	Very high	117 Å²	117	44 Å²	44	55%	0.547	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-37.6	178.2	-157.8	-152.8	134.3	0	0	112.3	D35 K36 A37 S42 K43	D35-E39 PolarHBondContact O-N 3.41Å; K36-E39 PolarHBondContact O-N 2.74Å; A37-E39 VanDerWaalsContact C-N 3.3Å; A37-E39 PolarHBondContact O-N 3.16Å; E39-S42 PolarHBondContact O-OG 2.86Å; E39-K43 WeakPolarHBondContact O-CD 3.2Å; E39-K43 VanDerWaalsContact O-CE 3.28Å; E39-K43 WeakPolarHBondContact O-CE 3.13Å; E39-K43 IonicContact OE1-NZ 3.88Å; E39-K43 PolarHBondContact OE1-NZ 3.45Å
40	I	98.6	Very high	98.7	Very high	29 Å²	29	42.7 Å²	42.7	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-72.1	-56.1	176.9	-66	167.3	0	0	0	110	K36 A37 K38 S42 K43 V107 K110	K36-I40 PolarHBondContact O-N 3.31Å; A37-I40 PolarHBondContact O-N 3.32Å; A37-I40 VanDerWaalsContact O-N 3.16Å; K38-I40 VanDerWaalsContact C-N 3.29Å; K38-I40 PolarHBondContact O-N 2.87Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 2.91Å; I40-K43 WeakPolarHBondContact O-CB 3.34Å; I40-K43 PolarHBondContact O-N 2.84Å; I40-V107 HydrophobicContact CD1-CB 4.23Å; I40-V107 HydrophobicContact CD1-CG1 4.15Å; I40-V107 HydrophobicContact CD1-CG2 4.2Å; I40-K110 HydrophobicContact CG2-CB 4.03Å
41	L	98.7	Very high	98.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-27.1	-172.3	-67.1	160.6	0	0	0	112.4	A37 K43 E44 K106 I115 L151 F155 R187	A37-L41 HydrophobicContact CB-CD1 4.24Å; A37-L41 WeakPolarHBondContact O-CB 3.47Å; A37-L41 WeakPolarHBondContact O-CD1 3.4Å; A37-L41 WeakPolarHBondContact O-CG 3.08Å; A37-L41 PolarHBondContact O-N 2.83Å; L41-K43 PolarHBondContact O-N 3.29Å; L41-K43 VanDerWaalsContact O-N 3.16Å; L41-E44 WeakPolarHBondContact O-CB 3.09Å; L41-E44 PolarHBondContact O-N 3.48Å; L41-K106 HydrophobicContact CD2-CG 4.49Å; L41-I115 HydrophobicContact CD2-CG1 4.29Å; L41-L151 HydrophobicContact CD1-CD1 3.75Å; L41-F155 HydrophobicContact CD1-CD1 3.69Å; L41-F155 HydrophobicContact CD1-CE1 3.71Å; L41-R187 PolarHBondContact O-NH2 3.23Å
42	S	98.2	Very high	98.6	Very high	63 Å²	63	49.3 Å²	49.3	44%	0.441	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.2	172.7	66.5	0	0	0	0	114.1	K38 E39 I40	K38-S42 WeakPolarHBondContact O-CB 3.21Å; K38-S42 PolarHBondContact O-N 2.91Å; K38-S42 PolarHBondContact O-OG 3.32Å; K38-S42 VanDerWaalsContact O-OG 3.11Å; E39-S42 PolarHBondContact O-OG 2.86Å; I40-S42 VanDerWaalsContact C-N 3.28Å; I40-S42 PolarHBondContact O-N 2.91Å
43	K	98.4	Very high	98.6	Very high	148 Å²	148	48.1 Å²	48.1	64%	0.643	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-7.1	178.3	-59.1	166.5	-170.5	161.7	0	112.1	E39 I40 L41	E39-K43 WeakPolarHBondContact O-CD 3.2Å; E39-K43 VanDerWaalsContact O-CE 3.28Å; E39-K43 WeakPolarHBondContact O-CE 3.13Å; E39-K43 IonicContact OE1-NZ 3.88Å; E39-K43 PolarHBondContact OE1-NZ 3.45Å; I40-K43 WeakPolarHBondContact O-CB 3.34Å; I40-K43 PolarHBondContact O-N 2.84Å; L41-K43 PolarHBondContact O-N 3.29Å; L41-K43 VanDerWaalsContact O-N 3.16Å
44	E	98.6	Very high	98.6	Very high	24 Å²	24	48.3 Å²	48.3	11%	0.112	24%	0.236	C	C	.	.	S	Bend	trans	-89.7	146.1	-179.1	-70.7	-177.5	-162.1	0	0	111.6	L41 K106 P156 R187	L41-E44 WeakPolarHBondContact O-CB 3.09Å; L41-E44 PolarHBondContact O-N 3.48Å; E44-K106 VanDerWaalsContact CD-NZ 3.34Å; E44-K106 WeakPolarHBondContact OE1-CE 3.2Å; E44-K106 IonicContact OE1-NZ 3.64Å; E44-K106 PolarHBondContact OE1-NZ 3.12Å; E44-K106 IonicContact OE2-NZ 3.62Å; E44-K106 PolarHBondContact OE2-NZ 2.87Å; E44-P156 HydrophobicContact CB-CG 3.93Å; E44-R187 VanDerWaalsContact O-CZ 3.31Å; E44-R187 PolarHBondContact O-NH1 2.82Å; E44-R187 PolarHBondContact O-NH2 2.98Å
45	S	98.6	Very high	98.6	Very high	44 Å²	44	48.5 Å²	48.5	31%	0.308	24%	0.237	S	C	.	.			trans	-78.9	157.1	-177.2	169.7	0	0	0	0	111.1	V47 Q48 P156 R187	S45-V47 WeakPolarHBondContact CB-O 3.21Å; S45-V47 PolarHBondContact O-N 3.45Å; S45-V47 PolarHBondContact OG-N 2.97Å; S45-V47 VanDerWaalsContact OG-N 3.07Å; S45-V47 PolarHBondContact OG-O 3.45Å; S45-Q48 VanDerWaalsContact N-OE1 3.13Å; S45-P156 WeakPolarHBondContact O-CB 3.16Å; S45-R187 VanDerWaalsContact C-NH1 3.31Å
46	N	98.9	Very high	98.6	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.053	22%	0.219	C	C	.	.	S	Bend	trans	-63.6	-28.3	169	-67.1	-11.1	0	0	0	111.9	L157 T158 V182 L185 R187	N46-L157 PolarHBondContact O-N 3.48Å; N46-T158 CarbonylContact O-C 3.48Å; N46-T158 PolarHBondContact O-N 3.25Å; N46-T158 PolarHBondContact O-OG1 2.82Å; N46-T158 VanDerWaalsContact O-OG1 3.07Å; N46-V182 HydrophobicContact CB-CG1 4.19Å; N46-V182 WeakPolarHBondContact CB-O 3.48Å; N46-V182 PolarHBondContact ND2-O 2.89Å; N46-L185 PolarHBondContact ND2-O 2.93Å; N46-R187 WeakPolarHBondContact OD1-CD 3.1Å; N46-R187 VanDerWaalsContact OD1-CG 3.26Å; N46-R187 WeakPolarHBondContact OD1-CG 3.43Å; N46-R187 PolarHBondContact OD1-NH1 2.71Å
47	V	98.9	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	87.8	166.9	-174.5	0	0	0	0	106.4	S45 E49 T158 L160 V182 R183	S45-V47 WeakPolarHBondContact CB-O 3.21Å; S45-V47 PolarHBondContact O-N 3.45Å; S45-V47 PolarHBondContact OG-N 2.97Å; S45-V47 VanDerWaalsContact OG-N 3.07Å; S45-V47 PolarHBondContact OG-O 3.45Å; V47-E49 PolarHBondContact O-N 3.31Å; V47-T158 WeakPolarHBondContact CA-OG1 3.43Å; V47-L160 HydrophobicContact CG1-CB 3.79Å; V47-V182 HydrophobicContact CG2-CB 3.6Å; V47-V182 HydrophobicContact CG2-CG1 3.61Å; V47-V182 HydrophobicContact CG2-CG2 4.48Å; V47-R183 HydrophobicContact CB-CG 4.01Å; V47-R183 HydrophobicContact CG2-CG 3.68Å
48	Q	98.8	Very high	98.6	Very high	37 Å²	37	43.1 Å²	43.1	17%	0.173	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.1	-175.6	-179.7	52.9	36.1	0	0	110.5	S45 V50 T114 P156 T158 A159 L160	S45-Q48 VanDerWaalsContact N-OE1 3.13Å; Q48-V50 PolarHBondContact O-N 3.17Å; Q48-T114 HydrophobicContact CG-CG2 4.07Å; Q48-P156 HydrophobicContact CB-CB 4.09Å; Q48-P156 HydrophobicContact CB-CG 4.28Å; Q48-T158 PolarHBondContact N-O 2.94Å; Q48-A159 HydrophobicContact CB-CB 4.46Å; Q48-A159 CarbonylContact O-C 3.51Å; Q48-A159 WeakPolarHBondContact O-CA 3.32Å; Q48-A159 VanDerWaalsContact O-CB 3.3Å; Q48-A159 WeakPolarHBondContact O-CB 3.27Å; Q48-L160 PolarHBondContact O-N 3.12Å
49	E	98.6	Very high	98.6	Very high	98 Å²	98	41.3 Å²	41.3	46%	0.458	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.2	176.7	-60.9	-65.6	151.6	0	0	110	V47 R183	V47-E49 PolarHBondContact O-N 3.31Å; E49-R183 IonicContact OE1-NH2 2.67Å
50	V	98.7	Very high	98.6	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.085	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.4	178.8	178.6	0	0	0	0	108.3	Q48 V54 L83 T114 A159 L160 V161 D162	Q48-V50 PolarHBondContact O-N 3.17Å; V50-V54 HydrophobicContact CG1-CB 4.29Å; V50-V54 HydrophobicContact CG1-CG1 4.28Å; V50-V54 HydrophobicContact CG1-CG2 4.04Å; V50-L83 HydrophobicContact CG1-CD1 4.48Å; V50-L83 HydrophobicContact CG2-CD1 4.22Å; V50-T114 HydrophobicContact CG2-CG2 4.04Å; V50-A159 HydrophobicContact CG2-CB 3.98Å; V50-L160 PolarHBondContact N-O 2.93Å; V50-V161 HydrophobicContact CB-CG2 4.18Å; V50-V161 HydrophobicContact CG1-CG2 4.33Å; V50-V161 CarbonylContact O-C 3.58Å; V50-V161 VanDerWaalsContact O-CA 3.3Å; V50-V161 WeakPolarHBondContact O-CA 3.45Å; V50-D162 PolarHBondContact O-N 2.99Å
51	R	98.1	Very high	98.6	Very high	204 Å²	204	34.6 Å²	34.6	77%	0.77	17%	0.171	S	C	*	.			trans	-105.5	147.8	177.5	-66.6	-173.8	-178.6	178.9	0.3	111.2	D162	R51-D162 WeakPolarHBondContact CA-OD1 3.17Å
52	C	98	Very high	98.6	Very high	18 Å²	18	34.6 Å²	34.6	12%	0.122	17%	0.171	C	C	.	.	S	Bend	trans	-70.7	157.5	164.3	-80	0	0	0	0	112.3	V161 D162 L280 D281 L284	C52-V161 VanDerWaalsContact SG-CG1 3.6Å; C52-D162 VanDerWaalsContact CB-OD2 3.26Å; C52-D162 WeakPolarHBondContact CB-OD2 3.41Å; C52-D162 PolarHBondContact N-OD2 2.74Å; C52-D162 VanDerWaalsContact N-OD2 3.16Å; C52-L280 VanDerWaalsContact SG-CB 3.56Å; C52-D281 WeakPolarHBondContact CB-O 3.17Å; C52-D281 PolarHBondContact SG-O 3.07Å; C52-L284 HydrophobicContact CB-CD1 4.44Å; C52-L284 WeakPolarHBondContact SG-CD1 3.38Å
53	P	98.4	Very high	98.6	Very high	51 Å²	51	31.9 Å²	31.9	33%	0.331	15%	0.151	S	C	.	.	S	Bend	cis	-76	147.4	-3.7	32	-31.5	0	0	0	111	N81 L280 D282	P53-N81 VanDerWaalsContact O-CB 3.31Å; P53-N81 WeakPolarHBondContact O-CB 3.25Å; P53-N81 PolarHBondContact O-ND2 3.15Å; P53-L280 CarbonylContact C-O 3.58Å; P53-L280 WeakPolarHBondContact CA-O 3.36Å; P53-L280 WeakPolarHBondContact CB-O 3.46Å; P53-D282 VanDerWaalsContact CD-OD1 3.32Å; P53-D282 WeakPolarHBondContact CD-OD1 3.4Å
54	V	98.8	Very high	98.5	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.024	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141.7	179.7	66.3	0	0	0	0	112.1	V50 V56 N81 L83 V161 L280	V50-V54 HydrophobicContact CG1-CB 4.29Å; V50-V54 HydrophobicContact CG1-CG1 4.28Å; V50-V54 HydrophobicContact CG1-CG2 4.04Å; V54-V56 HydrophobicContact CG1-CG2 4.31Å; V54-N81 HydrophobicContact CB-CB 4.37Å; V54-N81 HydrophobicContact CG2-CB 4.26Å; V54-L83 HydrophobicContact CG2-CB 3.9Å; V54-V161 HydrophobicContact CG1-CG1 3.78Å; V54-V161 HydrophobicContact CG1-CG2 4.31Å; V54-L280 HydrophobicContact CG1-CB 4.15Å; V54-L280 HydrophobicContact CG1-CD1 3.91Å; V54-L280 HydrophobicContact CG1-CG 4.49Å; V54-L280 PolarHBondContact N-O 3.22Å; V54-L280 PolarHBondContact O-N 3.3Å
55	T	98.9	Very high	98.4	Very high	5 Å²	5	28 Å²	28	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.5	170.7	-58.6	0	0	0	0	109.6	T80 N81 Y82 L83 I277 M278 E279	T55-T80 VanDerWaalsContact OG1-CG2 3.32Å; T55-T80 WeakPolarHBondContact OG1-CG2 3.42Å; T55-N81 PolarHBondContact N-O 3.04Å; T55-Y82 HydrophobicContact CG2-CD1 4.05Å; T55-Y82 HydrophobicContact CG2-CE1 3.58Å; T55-Y82 CarbonylContact O-C 3.55Å; T55-Y82 WeakPolarHBondContact O-CA 3.14Å; T55-L83 PolarHBondContact O-N 2.92Å; T55-I277 HydrophobicContact CG2-CB 3.91Å; T55-I277 HydrophobicContact CG2-CD1 3.82Å; T55-I277 HydrophobicContact CG2-CG1 4.21Å; T55-I277 HydrophobicContact CG2-CG2 4.43Å; T55-M278 CarbonylContact C-O 3.06Å; T55-M278 WeakPolarHBondContact CA-O 3.5Å; T55-E279 HydrophobicContact CG2-CG 4.45Å
56	V	98.9	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.8	179.6	-172.7	0	0	0	0	109.6	V54 L83 M85 I261 M278 L280	V54-V56 HydrophobicContact CG1-CG2 4.31Å; V56-L83 CarbonylContact C-O 3.56Å; V56-L83 WeakPolarHBondContact CA-O 3.48Å; V56-L83 HydrophobicContact CG1-CD2 4.27Å; V56-L83 HydrophobicContact CG2-CB 4.47Å; V56-M85 HydrophobicContact CG1-CE 3.83Å; V56-M85 HydrophobicContact CG1-CG 4.16Å; V56-M85 HydrophobicContact CG1-SD 3.86Å; V56-I261 HydrophobicContact CB-CD1 4.35Å; V56-I261 HydrophobicContact CG1-CD1 4.07Å; V56-M278 HydrophobicContact CB-CB 4.31Å; V56-M278 HydrophobicContact CB-CE 3.86Å; V56-M278 HydrophobicContact CG1-CE 4.22Å; V56-M278 HydrophobicContact CG2-CE 3.7Å; V56-M278 PolarHBondContact N-O 3.48Å; V56-M278 PolarHBondContact O-N 3.22Å; V56-L280 HydrophobicContact CG2-CD1 3.93Å; V56-L280 HydrophobicContact CG2-CG 4.44Å
57	C	98.9	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142	-175.9	-52.3	0	0	0	0	110.6	L70 L83 F84 M85 I277	C57-L70 HydrophobicContact CB-CD1 4.23Å; C57-L83 PolarHBondContact N-O 3.48Å; C57-F84 HydrophobicContact CB-CD1 3.5Å; C57-F84 HydrophobicContact CB-CE1 3.66Å; C57-F84 HydrophobicContact CB-CG 4.16Å; C57-F84 HydrophobicContact CB-CZ 4.42Å; C57-M85 WeakPolarHBondContact O-CB 3.46Å; C57-M85 WeakPolarHBondContact O-CG 3.47Å; C57-M85 PolarHBondContact O-N 3.26Å; C57-I277 HydrophobicContact CB-CG2 4.27Å; C57-I277 VanDerWaalsContact SG-CG2 3.6Å
58	G	98.8	Very high	98.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.			trans	-91.9	-149.5	173.3	0	0	0	0	0	112.7	I261 S263	G58-I261 WeakPolarHBondContact CA-O 3.34Å; G58-S263 PolarHBondContact N-OG 2.76Å
59	D	98.9	Very high	98.2	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	13%	0.133	C	C	.	.			trans	-57.9	140.9	-176.3	-50.1	21.6	0	0	0	112	H61 D87 H169 A242 H243 F262 S263 A264	D59-H61 IonicContact OD2-NE2 3.6Å; D59-D87 HydrophobicContact CB-CB 4.04Å; D59-H169 IonicContact OD1-CE1 2.83Å; D59-H169 PolarHBondContact OD1-CE1 3.1Å; D59-A242 WeakPolarHBondContact OD1-CB 3.31Å; D59-H243 PolarHBondContact OD1-N 2.97Å; D59-H243 WeakPolarHBondContact OD2-CA 3.27Å; D59-H243 PolarHBondContact OD2-N 3.27Å; D59-F262 HydrophobicContact CB-CD2 3.93Å; D59-F262 HydrophobicContact CB-CE2 3.66Å; D59-F262 HydrophobicContact CB-CZ 4.25Å; D59-F262 WeakPolarHBondContact OD2-CE2 3.33Å; D59-S263 CarbonylContact O-C 3.53Å; D59-S263 VanDerWaalsContact O-CA 3.26Å; D59-S263 WeakPolarHBondContact O-CA 3.31Å; D59-S263 WeakPolarHBondContact O-CB 3.43Å; D59-S263 PolarHBondContact O-N 2.68Å; D59-S263 VanDerWaalsContact O-N 3.16Å; D59-A264 PolarHBondContact O-N 3.09Å
60	V	98.7	Very high	98.2	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	11%	0.111	C	C	.	.			trans	-119.6	-36.7	178.3	-176	0	0	0	0	111.9	G62 Q63 L67 F84 D87 T98	V60-G62 PolarHBondContact O-N 2.71Å; V60-Q63 WeakPolarHBondContact O-CB 3.38Å; V60-Q63 PolarHBondContact O-N 2.89Å; V60-Q63 VanDerWaalsContact O-N 3.15Å; V60-L67 HydrophobicContact CG1-CB 4.06Å; V60-L67 HydrophobicContact CG1-CD1 4.42Å; V60-F84 HydrophobicContact CG2-CD1 4.32Å; V60-F84 HydrophobicContact CG2-CE1 4.41Å; V60-D87 PolarHBondContact N-O 3.16Å; V60-T98 HydrophobicContact CB-CG2 4.31Å; V60-T98 HydrophobicContact CG1-CG2 3.71Å
61	H	98.4	Very high	98.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	52.2	172.3	-80.2	-57.4	0	0	0	115.3	D59 Q63 D87 V89 D90 R91 G92 H120 Y267	D59-H61 IonicContact OD2-NE2 3.6Å; H61-Q63 PolarHBondContact O-N 3.08Å; H61-D87 IonicContact CE1-OD2 2.66Å; H61-D87 PolarHBondContact N-O 3.24Å; H61-D87 IonicContact NE2-OD2 2.63Å; H61-V89 PolarHBondContact ND1-O 3.21Å; H61-D90 CarbonylContact C-O 3.58Å; H61-D90 WeakPolarHBondContact CA-O 3.49Å; H61-D90 WeakPolarHBondContact CB-O 3.26Å; H61-D90 VanDerWaalsContact O-O 3.08Å; H61-R91 HydrophobicContact CB-CB 4.35Å; H61-G92 WeakPolarHBondContact O-CA 3.31Å; H61-G92 PolarHBondContact O-N 3.28Å; H61-H120 AromaticContact CE1-CD2 3.47Å; H61-H120 PolarHBondContact CE1-CD2 2.75Å; H61-H120 VanDerWaalsContact CE1-CD2 3.47Å; H61-H120 AromaticContact CE1-CE1 3.98Å; H61-H120 AromaticContact CE1-CG 3.67Å; H61-H120 AromaticContact CE1-ND1 3.98Å; H61-H120 AromaticContact CE1-NE2 3.68Å; H61-Y267 HydrophobicContact CB-CD2 4.48Å; H61-Y267 HydrophobicContact CB-CE2 3.74Å; H61-Y267 AromaticContact CD2-CE2 3.17Å; H61-Y267 WeakPolarHBondContact CD2-CE2 3.45Å; H61-Y267 AromaticContact CD2-CZ 3.54Å; H61-Y267 PolarHBondContact CD2-OH 3.24Å; H61-Y267 VanDerWaalsContact CD2-OH 3.25Å; H61-Y267 AromaticContact CG-CE2 3.61Å; H61-Y267 AromaticContact NE2-CE2 3.86Å; H61-Y267 AromaticContact NE2-CZ 3.72Å; H61-Y267 PolarHBondContact NE2-OH 3.03Å
62	G	97.9	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	15.6	175.5	0	0	0	0	0	115	V60 F64 Y88 Y94	V60-G62 PolarHBondContact O-N 2.71Å; G62-F64 PolarHBondContact O-N 3.21Å; G62-Y88 PolarHBondContact N-O 2.81Å; G62-Y94 CarbonylContact O-C 3.58Å; G62-Y94 WeakPolarHBondContact O-CA 3.45Å; G62-Y94 WeakPolarHBondContact O-CB 3.49Å; G62-Y94 PolarHBondContact O-N 2.96Å; G62-Y94 VanDerWaalsContact O-N 3.15Å
63	Q	97.7	Very high	97.9	Very high	5 Å²	5	23.3 Å²	23.3	2%	0.023	12%	0.116	C	C	.	.			trans	-83.4	64.7	174.6	-70.1	-170.6	-167.8	0	0	110.6	V60 H61 H65 D66 L67 P265	V60-Q63 WeakPolarHBondContact O-CB 3.38Å; V60-Q63 PolarHBondContact O-N 2.89Å; V60-Q63 VanDerWaalsContact O-N 3.15Å; H61-Q63 PolarHBondContact O-N 3.08Å; Q63-H65 VanDerWaalsContact C-N 3.29Å; Q63-H65 PolarHBondContact O-N 3.36Å; Q63-D66 HydrophobicContact CB-CB 4.1Å; Q63-D66 WeakPolarHBondContact CB-OD2 3.45Å; Q63-D66 PolarHBondContact NE2-OD2 3.24Å; Q63-D66 PolarHBondContact O-N 2.9Å; Q63-L67 PolarHBondContact O-N 3.37Å; Q63-P265 PolarHBondContact NE2-O 3.31Å
64	F	97.6	Very high	97.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-53.6	-40.8	-172.2	180	-89.2	0	0	0	114.1	L19 C22 G62 D66 L67 M68 Y94 E97 L101	L19-F64 WeakPolarHBondContact O-CE2 3.26Å; L19-F64 WeakPolarHBondContact O-CZ 3.36Å; C22-F64 HydrophobicContact CB-CD1 3.96Å; C22-F64 HydrophobicContact CB-CE1 3.62Å; C22-F64 HydrophobicContact CB-CZ 4.27Å; G62-F64 PolarHBondContact O-N 3.21Å; F64-D66 VanDerWaalsContact C-N 3.29Å; F64-D66 PolarHBondContact O-N 3.39Å; F64-L67 WeakPolarHBondContact O-CB 3.43Å; F64-L67 PolarHBondContact O-N 3.38Å; F64-M68 HydrophobicContact CD1-CG 4.28Å; F64-M68 HydrophobicContact CE1-CE 4.13Å; F64-M68 HydrophobicContact CE1-CG 3.75Å; F64-M68 HydrophobicContact CE1-SD 3.96Å; F64-M68 HydrophobicContact CE2-CE 3.89Å; F64-M68 HydrophobicContact CZ-CE 3.61Å; F64-M68 HydrophobicContact CZ-CG 4.18Å; F64-M68 HydrophobicContact CZ-SD 3.78Å; F64-M68 WeakPolarHBondContact O-CG 3.42Å; F64-M68 PolarHBondContact O-N 3.01Å; F64-M68 VanDerWaalsContact O-N 3.09Å; F64-Y94 VanDerWaalsContact CB-CB 3.41Å; F64-Y94 HydrophobicContact CB-CD2 4.49Å; F64-Y94 HydrophobicContact CB-CG 4.05Å; F64-E97 HydrophobicContact CD2-CB 3.58Å; F64-E97 HydrophobicContact CE2-CB 3.92Å; F64-E97 HydrophobicContact CG-CB 4.19Å; F64-L101 HydrophobicContact CE2-CD2 3.92Å; F64-L101 HydrophobicContact CZ-CD2 4.41Å
65	H	97	Very high	97.7	Very high	90 Å²	90	22.2 Å²	22.2	42%	0.417	11%	0.114	S	C	.	.	H	α-helix	trans	-66.7	-33.2	178.9	-61.5	-53.9	0	0	0	112.6	Q63 M68 E69 Y94 A294	Q63-H65 VanDerWaalsContact C-N 3.29Å; Q63-H65 PolarHBondContact O-N 3.36Å; H65-M68 WeakPolarHBondContact O-CB 3.46Å; H65-M68 PolarHBondContact O-N 2.67Å; H65-E69 PolarHBondContact O-N 3.27Å; H65-Y94 AromaticContact NE2-CE2 3.82Å; H65-Y94 AromaticContact NE2-CZ 3.88Å; H65-A294 HydrophobicContact CB-CB 4.07Å; H65-A294 WeakPolarHBondContact O-CB 3.43Å
66	D	97.7	Very high	97.6	Very high	14 Å²	14	27.6 Å²	27.6	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-76.4	-29.3	175.6	-54.9	-50	0	0	0	111.2	Q63 F64 M68 E69 L70 P265 P293 A294	Q63-D66 HydrophobicContact CB-CB 4.1Å; Q63-D66 WeakPolarHBondContact CB-OD2 3.45Å; Q63-D66 PolarHBondContact NE2-OD2 3.24Å; Q63-D66 PolarHBondContact O-N 2.9Å; F64-D66 VanDerWaalsContact C-N 3.29Å; F64-D66 PolarHBondContact O-N 3.39Å; D66-M68 VanDerWaalsContact C-N 3.26Å; D66-M68 PolarHBondContact O-N 3.07Å; D66-E69 WeakPolarHBondContact O-CB 3.29Å; D66-E69 PolarHBondContact O-N 3.44Å; D66-L70 PolarHBondContact O-N 3.43Å; D66-P265 HydrophobicContact CB-CG 3.71Å; D66-P293 WeakPolarHBondContact OD1-CA 3.48Å; D66-A294 WeakPolarHBondContact OD1-CB 3.41Å; D66-A294 PolarHBondContact OD1-N 3.34Å
67	L	98	Very high	97.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-33.6	167.5	179.8	63.4	0	0	0	111.9	V60 Q63 F64 L70 F71 F84 T98 L101 L102	V60-L67 HydrophobicContact CG1-CB 4.06Å; V60-L67 HydrophobicContact CG1-CD1 4.42Å; Q63-L67 PolarHBondContact O-N 3.37Å; F64-L67 WeakPolarHBondContact O-CB 3.43Å; F64-L67 PolarHBondContact O-N 3.38Å; L67-L70 HydrophobicContact CD1-CD1 4.34Å; L67-L70 HydrophobicContact CD1-CD2 4.43Å; L67-L70 WeakPolarHBondContact O-CB 3.24Å; L67-L70 PolarHBondContact O-N 2.85Å; L67-F71 HydrophobicContact CD1-CD2 4.35Å; L67-F71 HydrophobicContact CD1-CE2 3.75Å; L67-F71 HydrophobicContact CD1-CZ 3.85Å; L67-F71 HydrophobicContact CD2-CE2 4.05Å; L67-F71 HydrophobicContact CG-CD2 4.14Å; L67-F71 HydrophobicContact CG-CE2 3.62Å; L67-F71 HydrophobicContact CG-CZ 4.21Å; L67-F71 VanDerWaalsContact O-CD2 3.22Å; L67-F71 WeakPolarHBondContact O-CD2 3.27Å; L67-F71 PolarHBondContact O-N 3.23Å; L67-F71 VanDerWaalsContact O-N 3.11Å; L67-F84 HydrophobicContact CD1-CE1 3.96Å; L67-F84 HydrophobicContact CD1-CZ 4.18Å; L67-T98 HydrophobicContact CD2-CG2 4.12Å; L67-L101 HydrophobicContact CD2-CD2 4.25Å; L67-L102 HydrophobicContact CD1-CD2 4.44Å; L67-L102 HydrophobicContact CD2-CD2 4.3Å; L67-L102 HydrophobicContact CD2-CG 4.36Å
68	M	97.6	Very high	97.4	Very high	41 Å²	41	29.7 Å²	29.7	20%	0.202	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-39	173.9	-62.2	-59.9	95.2	0	0	111.7	Y20 F64 H65 D66 L70 F71 Q72 L101	Y20-M68 HydrophobicContact CD1-CE 4.03Å; Y20-M68 HydrophobicContact CD1-SD 3.61Å; Y20-M68 HydrophobicContact CE1-CE 4.2Å; Y20-M68 HydrophobicContact CE1-SD 4.18Å; F64-M68 HydrophobicContact CD1-CG 4.28Å; F64-M68 HydrophobicContact CE1-CE 4.13Å; F64-M68 HydrophobicContact CE1-CG 3.75Å; F64-M68 HydrophobicContact CE1-SD 3.96Å; F64-M68 HydrophobicContact CE2-CE 3.89Å; F64-M68 HydrophobicContact CZ-CE 3.61Å; F64-M68 HydrophobicContact CZ-CG 4.18Å; F64-M68 HydrophobicContact CZ-SD 3.78Å; F64-M68 WeakPolarHBondContact O-CG 3.42Å; F64-M68 PolarHBondContact O-N 3.01Å; F64-M68 VanDerWaalsContact O-N 3.09Å; H65-M68 WeakPolarHBondContact O-CB 3.46Å; H65-M68 PolarHBondContact O-N 2.67Å; D66-M68 VanDerWaalsContact C-N 3.26Å; D66-M68 PolarHBondContact O-N 3.07Å; M68-L70 VanDerWaalsContact C-N 3.35Å; M68-F71 HydrophobicContact CE-CD2 3.74Å; M68-F71 HydrophobicContact CE-CE2 3.97Å; M68-F71 PolarHBondContact O-N 2.76Å; M68-Q72 PolarHBondContact O-N 2.81Å; M68-L101 HydrophobicContact CE-CD2 3.49Å; M68-L101 VanDerWaalsContact CE-CD2 3.49Å
69	E	96.5	Very high	97.3	Very high	42 Å²	42	36.8 Å²	36.8	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-41.6	173.8	-164.9	64.1	-149.8	0	0	110.9	H65 D66 F71 Q72 M73 F291 A294	H65-E69 PolarHBondContact O-N 3.27Å; D66-E69 WeakPolarHBondContact O-CB 3.29Å; D66-E69 PolarHBondContact O-N 3.44Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 3.48Å; E69-Q72 WeakPolarHBondContact O-CA 3.2Å; E69-Q72 WeakPolarHBondContact O-CB 3.39Å; E69-Q72 PolarHBondContact O-N 2.94Å; E69-M73 WeakPolarHBondContact O-CG 3.46Å; E69-M73 PolarHBondContact O-N 3.43Å; E69-F291 HydrophobicContact CB-CD2 4.33Å; E69-F291 HydrophobicContact CG-CD2 4.09Å; E69-A294 HydrophobicContact CB-CB 4.46Å
70	L	98.1	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-54.6	-46.9	173.6	-176.7	160.2	0	0	0	111.7	C57 D66 L67 M68 Q72 M73 G74 Y82 F84 I277 F291	C57-L70 HydrophobicContact CB-CD1 4.23Å; D66-L70 PolarHBondContact O-N 3.43Å; L67-L70 HydrophobicContact CD1-CD1 4.34Å; L67-L70 HydrophobicContact CD1-CD2 4.43Å; L67-L70 WeakPolarHBondContact O-CB 3.24Å; L67-L70 PolarHBondContact O-N 2.85Å; M68-L70 VanDerWaalsContact C-N 3.35Å; L70-Q72 VanDerWaalsContact C-N 3.33Å; L70-M73 PolarHBondContact O-N 3.09Å; L70-G74 PolarHBondContact O-N 2.84Å; L70-Y82 HydrophobicContact CD2-CE1 3.71Å; L70-F84 HydrophobicContact CD1-CE1 4.28Å; L70-F84 HydrophobicContact CD2-CE1 4.39Å; L70-F84 HydrophobicContact CD2-CZ 4.22Å; L70-I277 HydrophobicContact CD1-CG2 3.75Å; L70-I277 HydrophobicContact CD2-CG2 4.38Å; L70-I277 HydrophobicContact CG-CG2 3.75Å; L70-F291 HydrophobicContact CB-CE2 4.47Å; L70-F291 HydrophobicContact CB-CZ 3.98Å; L70-F291 HydrophobicContact CD1-CZ 4.32Å; L70-F291 HydrophobicContact CG-CZ 4.38Å
71	F	97.8	Very high	97.3	Very high	4 Å²	4	40 Å²	40	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-71.2	-26.2	175.8	-67.7	-47.4	0	0	0	113.7	Y20 L67 M68 E69 M73 G75 K76 Y82 F84 L101 L102 L105	Y20-F71 AromaticContact CE1-CD2 3.84Å; Y20-F71 HydrophobicContact CE1-CD2 3.84Å; Y20-F71 HydrophobicContact CE1-CE2 4.25Å; L67-F71 HydrophobicContact CD1-CD2 4.35Å; L67-F71 HydrophobicContact CD1-CE2 3.75Å; L67-F71 HydrophobicContact CD1-CZ 3.85Å; L67-F71 HydrophobicContact CD2-CE2 4.05Å; L67-F71 HydrophobicContact CG-CD2 4.14Å; L67-F71 HydrophobicContact CG-CE2 3.62Å; L67-F71 HydrophobicContact CG-CZ 4.21Å; L67-F71 VanDerWaalsContact O-CD2 3.22Å; L67-F71 WeakPolarHBondContact O-CD2 3.27Å; L67-F71 PolarHBondContact O-N 3.23Å; L67-F71 VanDerWaalsContact O-N 3.11Å; M68-F71 HydrophobicContact CE-CD2 3.74Å; M68-F71 HydrophobicContact CE-CE2 3.97Å; M68-F71 PolarHBondContact O-N 2.76Å; E69-F71 VanDerWaalsContact C-N 3.33Å; E69-F71 PolarHBondContact O-N 3.48Å; F71-M73 VanDerWaalsContact C-N 3.32Å; F71-G75 CarbonylContact O-C 3.15Å; F71-G75 WeakPolarHBondContact O-CA 3.43Å; F71-G75 PolarHBondContact O-N 2.8Å; F71-G75 VanDerWaalsContact O-O 3.13Å; F71-K76 HydrophobicContact CB-CG 4.47Å; F71-Y82 HydrophobicContact CD1-CE1 4.44Å; F71-Y82 AromaticContact CD1-CE2 3.96Å; F71-Y82 HydrophobicContact CD1-CE2 3.96Å; F71-Y82 AromaticContact CD1-CZ 3.8Å; F71-Y82 HydrophobicContact CE1-CD2 4.36Å; F71-Y82 HydrophobicContact CE1-CE1 4.39Å; F71-Y82 HydrophobicContact CE1-CE2 4Å; F71-F84 HydrophobicContact CE1-CE2 4.41Å; F71-F84 AromaticContact CE1-CZ 3.92Å; F71-F84 HydrophobicContact CE1-CZ 3.92Å; F71-F84 HydrophobicContact CZ-CZ 4.05Å; F71-L101 HydrophobicContact CE2-CD2 3.94Å; F71-L102 HydrophobicContact CZ-CD2 4.13Å; F71-L105 HydrophobicContact CE1-CD1 4.49Å; F71-L105 HydrophobicContact CE2-CD1 4.37Å; F71-L105 HydrophobicContact CZ-CD1 3.82Å
72	Q	96	Very high	97.3	Very high	144 Å²	144	40 Å²	40	67%	0.673	21%	0.208	S	C	*	.	H	α-helix	trans	-69.9	-34.2	172.9	-176.3	171.1	-28.7	0	0	111.3	M68 E69 L70	M68-Q72 PolarHBondContact O-N 2.81Å; E69-Q72 WeakPolarHBondContact O-CA 3.2Å; E69-Q72 WeakPolarHBondContact O-CB 3.39Å; E69-Q72 PolarHBondContact O-N 2.94Å; L70-Q72 VanDerWaalsContact C-N 3.33Å
73	M	94.5	Very high	97.3	Very high	80 Å²	80	40 Å²	40	39%	0.394	21%	0.208	S	C	.	.	H	α-helix	trans	-80.8	-51.7	179.4	-68.2	-64.7	-70.2	0	0	112.8	E69 L70 F71 F291	E69-M73 WeakPolarHBondContact O-CG 3.46Å; E69-M73 PolarHBondContact O-N 3.43Å; L70-M73 PolarHBondContact O-N 3.09Å; F71-M73 VanDerWaalsContact C-N 3.32Å; M73-F291 HydrophobicContact CG-CB 4.31Å
74	G	96.5	Very high	97.4	Very high	7 Å²	7	39.8 Å²	39.8	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-86.7	-9.2	-177.9	0	0	0	0	0	114.9	L70 T80 Y82	L70-G74 PolarHBondContact O-N 2.84Å; G74-T80 WeakPolarHBondContact O-CB 3.18Å; G74-T80 VanDerWaalsContact O-CG2 3.27Å; G74-T80 WeakPolarHBondContact O-CG2 3.32Å; G74-T80 PolarHBondContact O-OG1 3.14Å; G74-Y82 VanDerWaalsContact C-OH 3.32Å; G74-Y82 WeakPolarHBondContact CA-OH 3.44Å
75	G	97.3	Very high	97.5	Very high	24 Å²	24	39.7 Å²	39.7	25%	0.247	21%	0.206	C	C	.	.			trans	92.6	170.5	-174	0	0	0	0	0	113.7	F71 Y82	F71-G75 CarbonylContact O-C 3.15Å; F71-G75 WeakPolarHBondContact O-CA 3.43Å; F71-G75 PolarHBondContact O-N 2.8Å; F71-G75 VanDerWaalsContact O-O 3.13Å; G75-Y82 WeakPolarHBondContact O-CE2 3.3Å; G75-Y82 PolarHBondContact O-OH 3.04Å
76	K	96.4	Very high	97.6	Very high	118 Å²	118	35.4 Å²	35.4	51%	0.513	19%	0.187	S	C	.	.			trans	-97.2	142.6	-177.2	-68.6	-173.8	178.2	-172.6	0	110.9	F71 D79 T80	F71-K76 HydrophobicContact CB-CG 4.47Å; K76-D79 WeakPolarHBondContact O-CB 3.46Å; K76-D79 PolarHBondContact O-N 2.84Å; K76-T80 PolarHBondContact O-N 2.86Å
77	A	96.1	Very high	97.6	Very high	9 Å²	9	34.8 Å²	34.8	7%	0.074	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	140.8	160.5	0	0	0	0	0	109.6	Y82 L105 Y109 V113	A77-Y82 HydrophobicContact CB-CD2 4.49Å; A77-L105 HydrophobicContact CB-CD2 4.28Å; A77-Y109 HydrophobicContact CB-CD2 4.2Å; A77-V113 HydrophobicContact CB-CG2 3.96Å
78	P	97.4	Very high	97.7	Very high	36 Å²	36	34.8 Å²	34.8	23%	0.234	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93	5.8	9.3	37.2	-35.8	0	0	0	115.4	Y109 R112	P78-Y109 HydrophobicContact CB-CD1 3.63Å; P78-Y109 HydrophobicContact CB-CD2 4.33Å; P78-Y109 HydrophobicContact CB-CE1 3.8Å; P78-Y109 HydrophobicContact CB-CE2 4.47Å; P78-Y109 HydrophobicContact CB-CG 3.92Å; P78-Y109 HydrophobicContact CG-CD1 4.07Å; P78-Y109 HydrophobicContact CG-CE1 3.69Å; P78-R112 HydrophobicContact CB-CG 4.1Å; P78-R112 PolarHBondContact O-NH1 3.29Å
79	D	97.6	Very high	97.7	Very high	149 Å²	149	32.9 Å²	32.9	80%	0.797	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-37.5	-176.9	-61.6	-33.1	0	0	0	111.3	K76	K76-D79 WeakPolarHBondContact O-CB 3.46Å; K76-D79 PolarHBondContact O-N 2.84Å
80	T	98.1	Very high	97.8	Very high	33 Å²	33	30.9 Å²	30.9	20%	0.202	17%	0.165	C	C	.	.	S	Bend	trans	-101.8	137.1	168.9	-54.7	0	0	0	0	111	T55 G74 K76 Y82	T55-T80 VanDerWaalsContact OG1-CG2 3.32Å; T55-T80 WeakPolarHBondContact OG1-CG2 3.42Å; G74-T80 WeakPolarHBondContact O-CB 3.18Å; G74-T80 VanDerWaalsContact O-CG2 3.27Å; G74-T80 WeakPolarHBondContact O-CG2 3.32Å; G74-T80 PolarHBondContact O-OG1 3.14Å; K76-T80 PolarHBondContact O-N 2.86Å; T80-Y82 HydrophobicContact CG2-CD2 4.26Å; T80-Y82 HydrophobicContact CG2-CE2 3.77Å
81	N	98.7	Very high	97.7	Very high	38 Å²	38	32.7 Å²	32.7	20%	0.203	17%	0.172	C	C	.	.			trans	-84.5	143.3	169.8	-58.3	-45.7	0	0	0	110.8	P53 V54 T55 R112	P53-N81 VanDerWaalsContact O-CB 3.31Å; P53-N81 WeakPolarHBondContact O-CB 3.25Å; P53-N81 PolarHBondContact O-ND2 3.15Å; V54-N81 HydrophobicContact CB-CB 4.37Å; V54-N81 HydrophobicContact CG2-CB 4.26Å; T55-N81 PolarHBondContact N-O 3.04Å; N81-R112 CarbonylContact C-O 3.16Å; N81-R112 WeakPolarHBondContact CA-O 3.27Å; N81-R112 WeakPolarHBondContact OD1-CD 3.11Å
82	Y	98.9	Very high	97.5	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.8	-176.3	-81.7	-80.3	0	0	0	113.2	T55 L70 F71 G74 G75 A77 T80 F84 R112 V113 T114	T55-Y82 HydrophobicContact CG2-CD1 4.05Å; T55-Y82 HydrophobicContact CG2-CE1 3.58Å; T55-Y82 CarbonylContact O-C 3.55Å; T55-Y82 WeakPolarHBondContact O-CA 3.14Å; L70-Y82 HydrophobicContact CD2-CE1 3.71Å; F71-Y82 HydrophobicContact CD1-CE1 4.44Å; F71-Y82 AromaticContact CD1-CE2 3.96Å; F71-Y82 HydrophobicContact CD1-CE2 3.96Å; F71-Y82 AromaticContact CD1-CZ 3.8Å; F71-Y82 HydrophobicContact CE1-CD2 4.36Å; F71-Y82 HydrophobicContact CE1-CE1 4.39Å; F71-Y82 HydrophobicContact CE1-CE2 4Å; G74-Y82 VanDerWaalsContact C-OH 3.32Å; G74-Y82 WeakPolarHBondContact CA-OH 3.44Å; G75-Y82 WeakPolarHBondContact O-CE2 3.3Å; G75-Y82 PolarHBondContact O-OH 3.04Å; A77-Y82 HydrophobicContact CB-CD2 4.49Å; T80-Y82 HydrophobicContact CG2-CD2 4.26Å; T80-Y82 HydrophobicContact CG2-CE2 3.77Å; Y82-F84 AromaticContact CD1-CE2 3.72Å; Y82-F84 HydrophobicContact CD1-CE2 3.72Å; Y82-F84 AromaticContact CD1-CZ 3.87Å; Y82-F84 HydrophobicContact CD1-CZ 3.87Å; Y82-F84 HydrophobicContact CE1-CZ 4.38Å; Y82-F84 AromaticContact CG-CE2 3.77Å; Y82-F84 HydrophobicContact CG-CE2 3.77Å; Y82-F84 HydrophobicContact CG-CZ 4.31Å; Y82-R112 PolarHBondContact N-O 2.98Å; Y82-V113 CarbonylContact O-C 3.51Å; Y82-V113 WeakPolarHBondContact O-CA 3.43Å; Y82-T114 PolarHBondContact O-N 2.96Å
83	L	98.9	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110.7	165.8	-173.1	174.9	0	0	0	107.8	V50 V54 T55 V56 C57 M85 T114 L116 A159 V161 C167	V50-L83 HydrophobicContact CG1-CD1 4.48Å; V50-L83 HydrophobicContact CG2-CD1 4.22Å; V54-L83 HydrophobicContact CG2-CB 3.9Å; T55-L83 PolarHBondContact O-N 2.92Å; V56-L83 CarbonylContact C-O 3.56Å; V56-L83 WeakPolarHBondContact CA-O 3.48Å; V56-L83 HydrophobicContact CG1-CD2 4.27Å; V56-L83 HydrophobicContact CG2-CB 4.47Å; C57-L83 PolarHBondContact N-O 3.48Å; L83-M85 HydrophobicContact CD2-CG 3.67Å; L83-T114 WeakPolarHBondContact CA-O 3.44Å; L83-T114 HydrophobicContact CG-CG2 4.39Å; L83-L116 HydrophobicContact CD2-CD1 3.88Å; L83-L116 HydrophobicContact CD2-CG 4.16Å; L83-A159 HydrophobicContact CD1-CB 3.75Å; L83-A159 HydrophobicContact CG-CB 4.34Å; L83-V161 HydrophobicContact CD1-CG2 3.76Å; L83-C167 HydrophobicContact CD1-CB 3.85Å; L83-C167 HydrophobicContact CD2-CB 4.1Å
84	F	98.9	Very high	97.6	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.1	176.2	-73.7	-91.5	0	0	0	110.6	C57 V60 L67 L70 F71 Y82 G86 Y88 L102 V113 T114 I115 L116	C57-F84 HydrophobicContact CB-CD1 3.5Å; C57-F84 HydrophobicContact CB-CE1 3.66Å; C57-F84 HydrophobicContact CB-CG 4.16Å; C57-F84 HydrophobicContact CB-CZ 4.42Å; V60-F84 HydrophobicContact CG2-CD1 4.32Å; V60-F84 HydrophobicContact CG2-CE1 4.41Å; L67-F84 HydrophobicContact CD1-CE1 3.96Å; L67-F84 HydrophobicContact CD1-CZ 4.18Å; L70-F84 HydrophobicContact CD1-CE1 4.28Å; L70-F84 HydrophobicContact CD2-CE1 4.39Å; L70-F84 HydrophobicContact CD2-CZ 4.22Å; F71-F84 HydrophobicContact CE1-CE2 4.41Å; F71-F84 AromaticContact CE1-CZ 3.92Å; F71-F84 HydrophobicContact CE1-CZ 3.92Å; F71-F84 HydrophobicContact CZ-CZ 4.05Å; Y82-F84 AromaticContact CD1-CE2 3.72Å; Y82-F84 HydrophobicContact CD1-CE2 3.72Å; Y82-F84 AromaticContact CD1-CZ 3.87Å; Y82-F84 HydrophobicContact CD1-CZ 3.87Å; Y82-F84 HydrophobicContact CE1-CZ 4.38Å; Y82-F84 AromaticContact CG-CE2 3.77Å; Y82-F84 HydrophobicContact CG-CE2 3.77Å; Y82-F84 HydrophobicContact CG-CZ 4.31Å; F84-G86 PolarHBondContact O-N 2.85Å; F84-Y88 HydrophobicContact CB-CE1 3.68Å; F84-Y88 HydrophobicContact CG-CE1 4.47Å; F84-Y88 PolarHBondContact O-OH 3.03Å; F84-L102 HydrophobicContact CD1-CD1 4.33Å; F84-L102 HydrophobicContact CD1-CD2 4.33Å; F84-L102 HydrophobicContact CD2-CD2 4.03Å; F84-L102 HydrophobicContact CE1-CD2 3.99Å; F84-L102 HydrophobicContact CE2-CD2 3.64Å; F84-L102 HydrophobicContact CG-CD2 4.36Å; F84-L102 HydrophobicContact CZ-CD2 3.64Å; F84-V113 HydrophobicContact CD2-CG1 4.46Å; F84-T114 PolarHBondContact N-O 3.25Å; F84-I115 HydrophobicContact CB-CG2 4.39Å; F84-L116 PolarHBondContact O-N 3.18Å
85	M	98.9	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.			trans	-83.4	-6	-170.3	-67.1	-172.7	-71.6	0	0	115.6	V56 C57 L83 L116 C167 H169 A242 I261	V56-M85 HydrophobicContact CG1-CE 3.83Å; V56-M85 HydrophobicContact CG1-CG 4.16Å; V56-M85 HydrophobicContact CG1-SD 3.86Å; C57-M85 WeakPolarHBondContact O-CB 3.46Å; C57-M85 WeakPolarHBondContact O-CG 3.47Å; C57-M85 PolarHBondContact O-N 3.26Å; L83-M85 HydrophobicContact CD2-CG 3.67Å; M85-L116 HydrophobicContact CG-CD1 4.44Å; M85-C167 HydrophobicContact SD-CB 4.38Å; M85-H169 VanDerWaalsContact O-CB 3.25Å; M85-H169 WeakPolarHBondContact O-CB 3.47Å; M85-H169 PolarHBondContact O-ND1 2.75Å; M85-A242 HydrophobicContact CB-CB 3.91Å; M85-A242 HydrophobicContact CE-CB 3.92Å; M85-I261 HydrophobicContact CE-CB 3.85Å; M85-I261 HydrophobicContact CE-CD1 3.99Å; M85-I261 HydrophobicContact CE-CG1 4.34Å
86	G	98.8	Very high	97.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	132	-170.1	175.5	0	0	0	0	0	112.7	F84 Y88	F84-G86 PolarHBondContact O-N 2.85Å; G86-Y88 WeakPolarHBondContact O-CE1 3.5Å
87	D	98.8	Very high	97.8	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.011	11%	0.105	C	C	.	.			trans	53.7	59.9	176.9	-75.2	6.9	0	0	0	112.1	D59 V60 H61 G118 N119 H120 E121 H169	D59-D87 HydrophobicContact CB-CB 4.04Å; V60-D87 PolarHBondContact N-O 3.16Å; H61-D87 IonicContact CE1-OD2 2.66Å; H61-D87 PolarHBondContact N-O 3.24Å; H61-D87 IonicContact NE2-OD2 2.63Å; D87-G118 WeakPolarHBondContact OD1-CA 3.45Å; D87-N119 PolarHBondContact OD1-N 3.16Å; D87-N119 PolarHBondContact OD1-OD1 2.9Å; D87-N119 PolarHBondContact OD2-OD1 2.72Å; D87-H120 HydrophobicContact CB-CB 4.47Å; D87-H120 WeakPolarHBondContact OD1-CB 3.46Å; D87-H120 IonicContact OD1-CD2 3.17Å; D87-H120 IonicContact OD1-CG 2.71Å; D87-H120 PolarHBondContact OD1-N 2.83Å; D87-H120 IonicContact OD2-CD2 3.77Å; D87-H120 PolarHBondContact OD2-CD2 2.81Å; D87-E121 WeakPolarHBondContact CA-OE2 3.21Å; D87-E121 PolarHBondContact N-OE2 3.38Å; D87-H169 IonicContact OD1-CD2 2.9Å; D87-H169 IonicContact OD1-CE1 3.92Å; D87-H169 IonicContact OD1-NE2 3.2Å; D87-H169 PolarHBondContact OD1-NE2 3.04Å; D87-H169 VanDerWaalsContact OD1-NE2 3.12Å; D87-H169 IonicContact OD2-CE1 3.32Å; D87-H169 PolarHBondContact OD2-CE1 2.83Å; D87-H169 IonicContact OD2-NE2 2.68Å; D87-H169 PolarHBondContact OD2-NE2 3.16Å
88	Y	98.9	Very high	97.9	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	10%	0.101	C	C	.	.			trans	-82	-30.8	178	-48.3	-41.7	0	0	0	111.6	G62 F84 G86 T98 V99 L102 I115 L116 E121 F155	G62-Y88 PolarHBondContact N-O 2.81Å; F84-Y88 HydrophobicContact CB-CE1 3.68Å; F84-Y88 HydrophobicContact CG-CE1 4.47Å; F84-Y88 PolarHBondContact O-OH 3.03Å; G86-Y88 WeakPolarHBondContact O-CE1 3.5Å; Y88-T98 VanDerWaalsContact O-CG2 3.29Å; Y88-T98 WeakPolarHBondContact O-CG2 3.12Å; Y88-V99 HydrophobicContact CD2-CG2 4.34Å; Y88-L102 HydrophobicContact CD1-CD1 3.53Å; Y88-L102 HydrophobicContact CE1-CD1 4.01Å; Y88-L102 HydrophobicContact CG-CD1 3.88Å; Y88-I115 HydrophobicContact CE2-CB 4.21Å; Y88-I115 WeakPolarHBondContact OH-CA 3.49Å; Y88-I115 WeakPolarHBondContact OH-CB 3.4Å; Y88-L116 WeakPolarHBondContact CE2-O 3.19Å; Y88-L116 PolarHBondContact OH-N 3.46Å; Y88-L116 PolarHBondContact OH-O 2.82Å; Y88-E121 HydrophobicContact CD2-CG 4.15Å; Y88-E121 PolarHBondContact N-OE1 2.91Å; Y88-F155 AromaticContact CD2-CE2 3.86Å; Y88-F155 HydrophobicContact CD2-CE2 3.86Å; Y88-F155 AromaticContact CE2-CD2 4Å; Y88-F155 HydrophobicContact CE2-CD2 4Å; Y88-F155 AromaticContact CE2-CE2 3.51Å; Y88-F155 HydrophobicContact CE2-CE2 3.51Å; Y88-F155 HydrophobicContact CE2-CZ 4.45Å
89	V	98.7	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-109.2	178.2	-172.1	-56.3	0	0	0	0	112.5	H61 V99 H120 E121 T126 F131 F152	H61-V89 PolarHBondContact ND1-O 3.21Å; V89-V99 HydrophobicContact CG1-CB 3.84Å; V89-V99 HydrophobicContact CG1-CG1 4.05Å; V89-V99 HydrophobicContact CG1-CG2 4.16Å; V89-H120 HydrophobicContact CG2-CB 4.29Å; V89-E121 PolarHBondContact N-OE1 3.05Å; V89-T126 HydrophobicContact CG2-CG2 3.75Å; V89-F131 HydrophobicContact CB-CB 4.05Å; V89-F131 HydrophobicContact CB-CD1 4.18Å; V89-F131 HydrophobicContact CB-CD2 3.95Å; V89-F131 HydrophobicContact CB-CE2 4.4Å; V89-F131 HydrophobicContact CB-CG 3.81Å; V89-F131 HydrophobicContact CG1-CD1 4.19Å; V89-F131 HydrophobicContact CG1-CD2 3.92Å; V89-F131 HydrophobicContact CG1-CE1 4.14Å; V89-F131 HydrophobicContact CG1-CE2 3.85Å; V89-F131 HydrophobicContact CG1-CG 4.07Å; V89-F131 HydrophobicContact CG1-CZ 3.95Å; V89-F131 HydrophobicContact CG2-CB 4.28Å; V89-F131 HydrophobicContact CG2-CD1 4.22Å; V89-F131 HydrophobicContact CG2-CG 4.21Å; V89-F152 HydrophobicContact CG1-CZ 4.01Å; V89-F152 HydrophobicContact CG2-CE2 4.46Å
90	D	98.2	Very high	98.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	65.4	164.5	-178.1	-69.7	-35.7	0	0	0	114.5	H61 G92 S95 H120 T126 Y129 G130 F131	H61-D90 CarbonylContact C-O 3.58Å; H61-D90 WeakPolarHBondContact CA-O 3.49Å; H61-D90 WeakPolarHBondContact CB-O 3.26Å; H61-D90 VanDerWaalsContact O-O 3.08Å; D90-G92 PolarHBondContact O-N 3.11Å; D90-S95 PolarHBondContact N-OG 3.08Å; D90-H120 VanDerWaalsContact CB-ND1 3.29Å; D90-H120 WeakPolarHBondContact CB-ND1 3.28Å; D90-H120 IonicContact OD2-CE1 3.14Å; D90-H120 IonicContact OD2-CG 3.75Å; D90-H120 IonicContact OD2-ND1 3.9Å; D90-H120 PolarHBondContact OD2-ND1 2.84Å; D90-T126 WeakPolarHBondContact OD2-CA 3.39Å; D90-Y129 WeakPolarHBondContact CB-O 3.48Å; D90-Y129 VanDerWaalsContact CG-CB 3.49Å; D90-G130 PolarHBondContact OD1-N 2.77Å; D90-F131 WeakPolarHBondContact OD1-CB 3.23Å; D90-F131 PolarHBondContact OD1-N 2.85Å
91	R	95.2	Very high	98.1	Very high	39 Å²	39	9.8 Å²	9.8	15%	0.147	4%	0.043	C	C	.	.	S	Bend	trans	64.9	-72	-176.1	-41.2	-61.7	-178.2	141	4.5	112.1	H61 Y129 Y267 Y309 F310	H61-R91 HydrophobicContact CB-CB 4.35Å; R91-Y129 VanDerWaalsContact CZ-CE1 3.49Å; R91-Y129 PolarHBondContact N-O 2.8Å; R91-Y129 VanDerWaalsContact NH2-CE1 3.32Å; R91-Y267 HydrophobicContact CB-CE2 4.37Å; R91-Y267 HydrophobicContact CG-CE2 4.21Å; R91-Y267 WeakPolarHBondContact CG-OH 3.2Å; R91-Y309 PolarHBondContact NH1-O 2.69Å; R91-F310 VanDerWaalsContact C-CE1 3.43Å; R91-F310 HydrophobicContact CB-CD1 4.41Å; R91-F310 HydrophobicContact CB-CE1 4Å; R91-F310 WeakPolarHBondContact O-CE1 3.15Å; R91-F310 WeakPolarHBondContact O-CZ 3.31Å
92	G	94.9	Very high	98.1	Very high	5 Å²	5	8 Å²	8	5%	0.052	3%	0.033	C	C	.	.	S	Bend	trans	-62.4	161	-178.3	0	0	0	0	0	113.6	H61 D90 Y94 S95	H61-G92 WeakPolarHBondContact O-CA 3.31Å; H61-G92 PolarHBondContact O-N 3.28Å; D90-G92 PolarHBondContact O-N 3.11Å; G92-Y94 VanDerWaalsContact C-N 3.33Å; G92-Y94 PolarHBondContact O-N 2.83Å; G92-S95 PolarHBondContact O-OG 3Å
93	Y	94.3	Very high	98.1	Very high	58 Å²	58	7.9 Å²	7.9	23%	0.227	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.5	-175	-61.7	-65.4	0	0	0	115.2	K138 Y269 F310	Y93-K138 PolarHBondContact O-NZ 2.83Å; Y93-Y269 AromaticContact CD2-CE2 3.7Å; Y93-Y269 HydrophobicContact CD2-CE2 3.7Å; Y93-Y269 AromaticContact CD2-CZ 3.77Å; Y93-Y269 WeakPolarHBondContact CD2-OH 3.43Å; Y93-Y269 HydrophobicContact CE2-CD2 4.12Å; Y93-Y269 AromaticContact CE2-CE2 3.41Å; Y93-Y269 HydrophobicContact CE2-CE2 3.41Å; Y93-Y269 VanDerWaalsContact CE2-CE2 3.41Å; Y93-Y269 AromaticContact CE2-CZ 3.91Å; Y93-F310 HydrophobicContact CE1-CE2 4.22Å; Y93-F310 HydrophobicContact CE1-CZ 4.27Å; Y93-F310 AromaticContact CZ-CE2 3.86Å; Y93-F310 WeakPolarHBondContact OH-CE2 3.34Å
94	Y	97.2	Very high	98.1	Very high	51 Å²	51	7.9 Å²	7.9	20%	0.2	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	35.5	-171.2	-57.5	-85.2	0	0	0	111.9	G62 F64 H65 G92 V96 E97 T98 E134	G62-Y94 CarbonylContact O-C 3.58Å; G62-Y94 WeakPolarHBondContact O-CA 3.45Å; G62-Y94 WeakPolarHBondContact O-CB 3.49Å; G62-Y94 PolarHBondContact O-N 2.96Å; G62-Y94 VanDerWaalsContact O-N 3.15Å; F64-Y94 VanDerWaalsContact CB-CB 3.41Å; F64-Y94 HydrophobicContact CB-CD2 4.49Å; F64-Y94 HydrophobicContact CB-CG 4.05Å; H65-Y94 AromaticContact NE2-CE2 3.82Å; H65-Y94 AromaticContact NE2-CZ 3.88Å; G92-Y94 VanDerWaalsContact C-N 3.33Å; G92-Y94 PolarHBondContact O-N 2.83Å; Y94-V96 PolarHBondContact O-N 3Å; Y94-E97 WeakPolarHBondContact CA-OE2 3.26Å; Y94-E97 WeakPolarHBondContact CB-OE2 3.47Å; Y94-E97 PolarHBondContact O-N 2.95Å; Y94-T98 WeakPolarHBondContact O-CB 3.48Å; Y94-T98 PolarHBondContact O-N 3.04Å; Y94-T98 PolarHBondContact O-OG1 3.3Å; Y94-T98 VanDerWaalsContact O-OG1 3.07Å; Y94-E134 WeakPolarHBondContact CA-OE1 3.18Å
95	S	98.5	Very high	98.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.1	-38.2	176.8	-56.7	0	0	0	0	111.7	D90 G92 T98 V99 F131 E134	D90-S95 PolarHBondContact N-OG 3.08Å; G92-S95 PolarHBondContact O-OG 3Å; S95-T98 PolarHBondContact O-N 2.84Å; S95-V99 VanDerWaalsContact O-CG1 3.26Å; S95-V99 WeakPolarHBondContact O-CG1 3.3Å; S95-V99 PolarHBondContact O-N 2.71Å; S95-F131 VanDerWaalsContact CB-CD2 3.49Å; S95-E134 WeakPolarHBondContact CB-OE2 3.47Å; S95-E134 VanDerWaalsContact N-CD 3.34Å; S95-E134 PolarHBondContact N-OE1 3.44Å; S95-E134 PolarHBondContact N-OE2 2.83Å; S95-E134 PolarHBondContact OG-OE2 2.82Å
96	V	98.6	Very high	98.1	Very high	0 Å²	0	8 Å²	8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.1	-53.7	176.5	168.2	0	0	0	0	110.3	Q24 Y94 T98 T100 F131 E134 K138 Y139	Q24-V96 HydrophobicContact CB-CG1 4.48Å; Y94-V96 PolarHBondContact O-N 3Å; V96-T98 VanDerWaalsContact C-N 3.35Å; V96-T98 PolarHBondContact O-N 3.38Å; V96-T100 WeakPolarHBondContact O-CB 3.22Å; V96-T100 PolarHBondContact O-N 2.95Å; V96-T100 PolarHBondContact O-OG1 3.21Å; V96-F131 HydrophobicContact CG2-CE2 3.93Å; V96-E134 WeakPolarHBondContact CB-OE1 3.26Å; V96-E134 HydrophobicContact CG2-CG 4.04Å; V96-E134 WeakPolarHBondContact CG2-OE1 3.27Å; V96-E134 PolarHBondContact N-OE1 2.97Å; V96-K138 HydrophobicContact CB-CD 4.04Å; V96-K138 HydrophobicContact CG1-CD 4.33Å; V96-K138 HydrophobicContact CG2-CD 4.07Å; V96-Y139 HydrophobicContact CG1-CE2 3.77Å; V96-Y139 HydrophobicContact CG2-CE2 4.32Å
97	E	98.5	Very high	98.1	Very high	8 Å²	8	8.8 Å²	8.8	4%	0.037	4%	0.038	C	C	.	.	H	α-helix	trans	-65.5	-40.7	-178.8	-63.5	80.2	-178.5	0	0	111.1	F64 Y94 L101 K138	F64-E97 HydrophobicContact CD2-CB 3.58Å; F64-E97 HydrophobicContact CE2-CB 3.92Å; F64-E97 HydrophobicContact CG-CB 4.19Å; Y94-E97 WeakPolarHBondContact CA-OE2 3.26Å; Y94-E97 WeakPolarHBondContact CB-OE2 3.47Å; Y94-E97 PolarHBondContact O-N 2.95Å; E97-L101 VanDerWaalsContact O-CB 3.27Å; E97-L101 WeakPolarHBondContact O-CB 3.38Å; E97-L101 PolarHBondContact O-N 2.99Å; E97-K138 WeakPolarHBondContact OE1-CE 3.36Å; E97-K138 IonicContact OE1-NZ 3.64Å; E97-K138 PolarHBondContact OE1-NZ 3.44Å; E97-K138 IonicContact OE2-NZ 3.5Å; E97-K138 PolarHBondContact OE2-NZ 3.35Å
98	T	98.7	Very high	98	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.1	-58.1	177.2	-70.3	0	0	0	0	111.6	V60 L67 Y88 Y94 S95 V96 T100 L101 L102	V60-T98 HydrophobicContact CB-CG2 4.31Å; V60-T98 HydrophobicContact CG1-CG2 3.71Å; L67-T98 HydrophobicContact CD2-CG2 4.12Å; Y88-T98 VanDerWaalsContact O-CG2 3.29Å; Y88-T98 WeakPolarHBondContact O-CG2 3.12Å; Y94-T98 WeakPolarHBondContact O-CB 3.48Å; Y94-T98 PolarHBondContact O-N 3.04Å; Y94-T98 PolarHBondContact O-OG1 3.3Å; Y94-T98 VanDerWaalsContact O-OG1 3.07Å; S95-T98 PolarHBondContact O-N 2.84Å; V96-T98 VanDerWaalsContact C-N 3.35Å; V96-T98 PolarHBondContact O-N 3.38Å; T98-T100 VanDerWaalsContact C-N 3.34Å; T98-T100 PolarHBondContact O-N 3.2Å; T98-L101 PolarHBondContact O-N 2.91Å; T98-L102 HydrophobicContact CG2-CD1 4.32Å; T98-L102 WeakPolarHBondContact O-CG 3.4Å; T98-L102 PolarHBondContact O-N 3.19Å; T98-L102 VanDerWaalsContact O-N 3.08Å
99	V	98.9	Very high	98	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-69	-35.1	-176.4	75.5	0	0	0	0	111.6	Y88 V89 S95 L102 V103 F131 F148 F152	Y88-V99 HydrophobicContact CD2-CG2 4.34Å; V89-V99 HydrophobicContact CG1-CB 3.84Å; V89-V99 HydrophobicContact CG1-CG1 4.05Å; V89-V99 HydrophobicContact CG1-CG2 4.16Å; S95-V99 VanDerWaalsContact O-CG1 3.26Å; S95-V99 WeakPolarHBondContact O-CG1 3.3Å; S95-V99 PolarHBondContact O-N 2.71Å; V99-L102 PolarHBondContact O-N 3.07Å; V99-V103 HydrophobicContact CG2-CG2 4.3Å; V99-V103 WeakPolarHBondContact O-CB 3.33Å; V99-V103 WeakPolarHBondContact O-CG2 3.47Å; V99-V103 PolarHBondContact O-N 2.86Å; V99-F131 HydrophobicContact CG1-CE2 4.2Å; V99-F131 HydrophobicContact CG1-CZ 4.05Å; V99-F148 HydrophobicContact CG1-CD1 3.95Å; V99-F148 HydrophobicContact CG1-CD2 4.29Å; V99-F148 HydrophobicContact CG1-CE1 3.75Å; V99-F148 HydrophobicContact CG1-CE2 4.07Å; V99-F148 HydrophobicContact CG1-CG 4.24Å; V99-F148 HydrophobicContact CG1-CZ 3.82Å; V99-F148 HydrophobicContact CG2-CD1 4.31Å; V99-F148 HydrophobicContact CG2-CE1 4.41Å; V99-F152 HydrophobicContact CG2-CE1 3.77Å; V99-F152 HydrophobicContact CG2-CZ 4.13Å
100	T	98.9	Very high	97.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-42.8	176.5	-51.1	0	0	0	0	110.8	L19 L25 L33 V96 T98 A104 F148	L19-T100 HydrophobicContact CD1-CG2 3.7Å; L19-T100 HydrophobicContact CD2-CG2 3.73Å; L19-T100 HydrophobicContact CG-CG2 4.36Å; L25-T100 HydrophobicContact CD1-CG2 3.64Å; L25-T100 HydrophobicContact CG-CG2 3.92Å; L33-T100 HydrophobicContact CD2-CG2 3.71Å; V96-T100 WeakPolarHBondContact O-CB 3.22Å; V96-T100 PolarHBondContact O-N 2.95Å; V96-T100 PolarHBondContact O-OG1 3.21Å; T98-T100 VanDerWaalsContact C-N 3.34Å; T98-T100 PolarHBondContact O-N 3.2Å; T100-A104 VanDerWaalsContact O-CB 3.22Å; T100-A104 WeakPolarHBondContact O-CB 3.24Å; T100-A104 PolarHBondContact O-N 3.36Å; T100-F148 VanDerWaalsContact OG1-CZ 3.28Å; T100-F148 WeakPolarHBondContact OG1-CZ 3.17Å
101	L	98.8	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-49.4	177.3	178.1	59.8	0	0	0	111.6	I16 L19 Y20 F64 L67 M68 F71 E97 T98 V103 A104 L105	I16-L101 HydrophobicContact CG2-CD1 4.32Å; L19-L101 HydrophobicContact CB-CB 4.18Å; L19-L101 HydrophobicContact CB-CD1 3.91Å; Y20-L101 HydrophobicContact CD1-CD2 4.31Å; Y20-L101 HydrophobicContact CD2-CD1 4.29Å; Y20-L101 HydrophobicContact CE1-CD2 4.26Å; Y20-L101 HydrophobicContact CE2-CD1 4.24Å; F64-L101 HydrophobicContact CE2-CD2 3.92Å; F64-L101 HydrophobicContact CZ-CD2 4.41Å; L67-L101 HydrophobicContact CD2-CD2 4.25Å; M68-L101 HydrophobicContact CE-CD2 3.49Å; M68-L101 VanDerWaalsContact CE-CD2 3.49Å; F71-L101 HydrophobicContact CE2-CD2 3.94Å; E97-L101 VanDerWaalsContact O-CB 3.27Å; E97-L101 WeakPolarHBondContact O-CB 3.38Å; E97-L101 PolarHBondContact O-N 2.99Å; T98-L101 PolarHBondContact O-N 2.91Å; L101-V103 VanDerWaalsContact C-N 3.33Å; L101-V103 PolarHBondContact O-N 3.45Å; L101-A104 PolarHBondContact O-N 2.83Å; L101-L105 HydrophobicContact CD1-CD1 4.15Å; L101-L105 HydrophobicContact CD1-CG 4.1Å; L101-L105 HydrophobicContact CG-CD1 4.09Å; L101-L105 HydrophobicContact CG-CG 4.46Å; L101-L105 VanDerWaalsContact O-CG 3.3Å; L101-L105 WeakPolarHBondContact O-CG 3.29Å; L101-L105 PolarHBondContact O-N 3.36Å
102	L	98.9	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-41.2	-179.3	-66.9	178.7	0	0	0	111.9	L67 F71 F84 Y88 T98 V99 L105 K106 I115	L67-L102 HydrophobicContact CD1-CD2 4.44Å; L67-L102 HydrophobicContact CD2-CD2 4.3Å; L67-L102 HydrophobicContact CD2-CG 4.36Å; F71-L102 HydrophobicContact CZ-CD2 4.13Å; F84-L102 HydrophobicContact CD1-CD1 4.33Å; F84-L102 HydrophobicContact CD1-CD2 4.33Å; F84-L102 HydrophobicContact CD2-CD2 4.03Å; F84-L102 HydrophobicContact CE1-CD2 3.99Å; F84-L102 HydrophobicContact CE2-CD2 3.64Å; F84-L102 HydrophobicContact CG-CD2 4.36Å; F84-L102 HydrophobicContact CZ-CD2 3.64Å; Y88-L102 HydrophobicContact CD1-CD1 3.53Å; Y88-L102 HydrophobicContact CE1-CD1 4.01Å; Y88-L102 HydrophobicContact CG-CD1 3.88Å; T98-L102 HydrophobicContact CG2-CD1 4.32Å; T98-L102 WeakPolarHBondContact O-CG 3.4Å; T98-L102 PolarHBondContact O-N 3.19Å; T98-L102 VanDerWaalsContact O-N 3.08Å; V99-L102 PolarHBondContact O-N 3.07Å; L102-L105 PolarHBondContact O-N 3.45Å; L102-K106 WeakPolarHBondContact O-CB 3.45Å; L102-K106 PolarHBondContact O-N 3.41Å; L102-I115 HydrophobicContact CB-CG2 4.43Å
103	V	98.9	Very high	98.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-68.2	-39.9	175.4	175.4	0	0	0	0	111.3	L33 A37 V99 L101 L105 K106 V107 I115 L151 F155	L33-V103 HydrophobicContact CD1-CG1 4.18Å; L33-V103 HydrophobicContact CD2-CB 4.39Å; L33-V103 HydrophobicContact CD2-CG1 4.13Å; L33-V103 HydrophobicContact CG-CG1 3.87Å; A37-V103 HydrophobicContact CB-CG1 3.58Å; V99-V103 HydrophobicContact CG2-CG2 4.3Å; V99-V103 WeakPolarHBondContact O-CB 3.33Å; V99-V103 WeakPolarHBondContact O-CG2 3.47Å; V99-V103 PolarHBondContact O-N 2.86Å; L101-V103 VanDerWaalsContact C-N 3.33Å; L101-V103 PolarHBondContact O-N 3.45Å; V103-L105 PolarHBondContact O-N 2.95Å; V103-K106 WeakPolarHBondContact O-CB 3.33Å; V103-K106 PolarHBondContact O-N 2.84Å; V103-V107 HydrophobicContact CG1-CG2 4.35Å; V103-V107 WeakPolarHBondContact O-CG2 3.46Å; V103-V107 PolarHBondContact O-N 2.9Å; V103-I115 HydrophobicContact CG2-CD1 4.15Å; V103-L151 HydrophobicContact CB-CD2 4.5Å; V103-L151 HydrophobicContact CG1-CD2 3.81Å; V103-L151 HydrophobicContact CG2-CD2 3.85Å; V103-F155 HydrophobicContact CG2-CZ 4.12Å
104	A	98.8	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-43.7	175	0	0	0	0	0	111.8	I16 L19 L33 T100 L101 V107 R108	I16-A104 HydrophobicContact CD1-CB 4.49Å; I16-A104 HydrophobicContact CG1-CB 3.77Å; L19-A104 HydrophobicContact CD1-CB 3.96Å; L33-A104 HydrophobicContact CD1-CB 4.19Å; L33-A104 HydrophobicContact CD2-CB 4.14Å; T100-A104 VanDerWaalsContact O-CB 3.22Å; T100-A104 WeakPolarHBondContact O-CB 3.24Å; T100-A104 PolarHBondContact O-N 3.36Å; L101-A104 PolarHBondContact O-N 2.83Å; A104-V107 PolarHBondContact O-N 3.46Å; A104-R108 VanDerWaalsContact O-CB 3.22Å; A104-R108 WeakPolarHBondContact O-CB 3.42Å; A104-R108 PolarHBondContact O-N 3.07Å
105	L	98.7	Very high	98.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-42	173.3	-68.4	173.2	0	0	0	111.6	I16 F71 A77 L101 L102 V103 R108 Y109 V113	I16-L105 HydrophobicContact CD1-CD2 4.19Å; I16-L105 HydrophobicContact CG1-CD2 4.44Å; I16-L105 HydrophobicContact CG2-CD2 4.04Å; F71-L105 HydrophobicContact CE1-CD1 4.49Å; F71-L105 HydrophobicContact CE2-CD1 4.37Å; F71-L105 HydrophobicContact CZ-CD1 3.82Å; A77-L105 HydrophobicContact CB-CD2 4.28Å; L101-L105 HydrophobicContact CD1-CD1 4.15Å; L101-L105 HydrophobicContact CD1-CG 4.1Å; L101-L105 HydrophobicContact CG-CD1 4.09Å; L101-L105 HydrophobicContact CG-CG 4.46Å; L101-L105 VanDerWaalsContact O-CG 3.3Å; L101-L105 WeakPolarHBondContact O-CG 3.29Å; L101-L105 PolarHBondContact O-N 3.36Å; L102-L105 PolarHBondContact O-N 3.45Å; V103-L105 PolarHBondContact O-N 2.95Å; L105-R108 PolarHBondContact O-N 3.24Å; L105-Y109 HydrophobicContact CD2-CD2 3.96Å; L105-Y109 HydrophobicContact CD2-CE2 3.86Å; L105-Y109 WeakPolarHBondContact O-CA 3.46Å; L105-Y109 WeakPolarHBondContact O-CB 3.07Å; L105-Y109 PolarHBondContact O-N 2.78Å; L105-V113 HydrophobicContact CB-CG2 4.19Å
106	K	98.6	Very high	98.5	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-46.9	174.4	176.8	62.4	-177.9	178.2	0	112	L41 E44 L102 V103 R108 Y109 K110 V113 I115	L41-K106 HydrophobicContact CD2-CG 4.49Å; E44-K106 VanDerWaalsContact CD-NZ 3.34Å; E44-K106 WeakPolarHBondContact OE1-CE 3.2Å; E44-K106 IonicContact OE1-NZ 3.64Å; E44-K106 PolarHBondContact OE1-NZ 3.12Å; E44-K106 IonicContact OE2-NZ 3.62Å; E44-K106 PolarHBondContact OE2-NZ 2.87Å; L102-K106 WeakPolarHBondContact O-CB 3.45Å; L102-K106 PolarHBondContact O-N 3.41Å; V103-K106 WeakPolarHBondContact O-CB 3.33Å; V103-K106 PolarHBondContact O-N 2.84Å; K106-R108 VanDerWaalsContact C-N 3.34Å; K106-R108 PolarHBondContact O-N 2.99Å; K106-Y109 CarbonylContact O-C 3.58Å; K106-K110 PolarHBondContact NZ-O 3.3Å; K106-K110 WeakPolarHBondContact O-CA 3.23Å; K106-K110 WeakPolarHBondContact O-CB 3.3Å; K106-K110 PolarHBondContact O-N 2.95Å; K106-V113 WeakPolarHBondContact CD-O 3.17Å; K106-V113 PolarHBondContact NZ-O 3.25Å; K106-I115 HydrophobicContact CB-CD1 3.93Å; K106-I115 HydrophobicContact CB-CG1 4.4Å; K106-I115 HydrophobicContact CD-CG1 4.38Å; K106-I115 HydrophobicContact CG-CD1 3.94Å; K106-I115 HydrophobicContact CG-CG1 4.14Å
107	V	98.5	Very high	98.5	Very high	18 Å²	18	24.9 Å²	24.9	11%	0.109	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-42.2	180	173.4	0	0	0	0	110.7	L12 L33 K36 A37 I40 V103 A104	L12-V107 HydrophobicContact CD1-CG1 3.78Å; L12-V107 HydrophobicContact CD2-CG1 4.05Å; L33-V107 HydrophobicContact CD1-CB 4.06Å; L33-V107 HydrophobicContact CD1-CG1 4.49Å; L33-V107 HydrophobicContact CD1-CG2 3.77Å; K36-V107 HydrophobicContact CB-CG1 3.96Å; K36-V107 HydrophobicContact CB-CG2 4.38Å; K36-V107 HydrophobicContact CD-CG1 4.34Å; A37-V107 HydrophobicContact CB-CG2 3.65Å; I40-V107 HydrophobicContact CD1-CB 4.23Å; I40-V107 HydrophobicContact CD1-CG1 4.15Å; I40-V107 HydrophobicContact CD1-CG2 4.2Å; V103-V107 HydrophobicContact CG1-CG2 4.35Å; V103-V107 WeakPolarHBondContact O-CG2 3.46Å; V103-V107 PolarHBondContact O-N 2.9Å; A104-V107 PolarHBondContact O-N 3.46Å
108	R	97.9	Very high	98.5	Very high	71 Å²	71	24.5 Å²	24.5	27%	0.268	11%	0.106	S	C	.	.	H	α-helix	trans	-77.6	-33.5	-176.1	-178.6	56.6	-176.4	81.2	3.8	113.9	L12 D13 I16 A104 L105 K106	L12-R108 HydrophobicContact CB-CB 4.46Å; D13-R108 IonicContact OD1-CZ 2.81Å; D13-R108 IonicContact OD1-NE 3.76Å; D13-R108 PolarHBondContact OD1-NE 3.03Å; D13-R108 IonicContact OD1-NH2 2.94Å; D13-R108 PolarHBondContact OD1-NH2 2.89Å; D13-R108 IonicContact OD2-NE 2.79Å; D13-R108 IonicContact OD2-NH2 3.37Å; D13-R108 PolarHBondContact OD2-NH2 3.35Å; I16-R108 HydrophobicContact CD1-CB 3.57Å; I16-R108 HydrophobicContact CD1-CG 3.69Å; A104-R108 VanDerWaalsContact O-CB 3.22Å; A104-R108 WeakPolarHBondContact O-CB 3.42Å; A104-R108 PolarHBondContact O-N 3.07Å; L105-R108 PolarHBondContact O-N 3.24Å; K106-R108 VanDerWaalsContact C-N 3.34Å; K106-R108 PolarHBondContact O-N 2.99Å
109	Y	97.8	Very high	98.5	Very high	39 Å²	39	24.7 Å²	24.7	15%	0.153	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	53	-174.4	-48.2	-61.6	0	0	0	111.1	I16 A77 P78 L105 K106 E111 R112 V113	I16-Y109 HydrophobicContact CD1-CE2 4.3Å; A77-Y109 HydrophobicContact CB-CD2 4.2Å; P78-Y109 HydrophobicContact CB-CD1 3.63Å; P78-Y109 HydrophobicContact CB-CD2 4.33Å; P78-Y109 HydrophobicContact CB-CE1 3.8Å; P78-Y109 HydrophobicContact CB-CE2 4.47Å; P78-Y109 HydrophobicContact CB-CG 3.92Å; P78-Y109 HydrophobicContact CG-CD1 4.07Å; P78-Y109 HydrophobicContact CG-CE1 3.69Å; L105-Y109 HydrophobicContact CD2-CD2 3.96Å; L105-Y109 HydrophobicContact CD2-CE2 3.86Å; L105-Y109 WeakPolarHBondContact O-CA 3.46Å; L105-Y109 WeakPolarHBondContact O-CB 3.07Å; L105-Y109 PolarHBondContact O-N 2.78Å; K106-Y109 CarbonylContact O-C 3.58Å; Y109-E111 PolarHBondContact O-N 2.88Å; Y109-R112 WeakPolarHBondContact O-CA 3.25Å; Y109-R112 PolarHBondContact O-N 3.5Å; Y109-V113 PolarHBondContact O-N 3.01Å; Y109-V113 VanDerWaalsContact O-N 3.08Å
110	K	97	Very high	98.5	Very high	109 Å²	109	25 Å²	25	47%	0.474	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-31	-173	66.4	179.6	-175.5	172.5	0	116.5	I40 K106	I40-K110 HydrophobicContact CG2-CB 4.03Å; K106-K110 PolarHBondContact NZ-O 3.3Å; K106-K110 WeakPolarHBondContact O-CA 3.23Å; K106-K110 WeakPolarHBondContact O-CB 3.3Å; K106-K110 PolarHBondContact O-N 2.95Å
111	E	97.1	Very high	98.5	Very high	150 Å²	150	25 Å²	25	70%	0.701	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.4	178.7	-51.6	-57.7	149.8	0	0	113.2	Y109	Y109-E111 PolarHBondContact O-N 2.88Å
112	R	98.3	Very high	98.5	Very high	112 Å²	112	25.3 Å²	25.3	42%	0.423	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-22.1	-177.7	-51.6	-65	173.6	93.6	-4.5	112.4	P78 N81 Y82 Y109	P78-R112 HydrophobicContact CB-CG 4.1Å; P78-R112 PolarHBondContact O-NH1 3.29Å; N81-R112 CarbonylContact C-O 3.16Å; N81-R112 WeakPolarHBondContact CA-O 3.27Å; N81-R112 WeakPolarHBondContact OD1-CD 3.11Å; Y82-R112 PolarHBondContact N-O 2.98Å; Y109-R112 WeakPolarHBondContact O-CA 3.25Å; Y109-R112 PolarHBondContact O-N 3.5Å
113	V	98.8	Very high	98.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.6	-177.8	-177.5	0	0	0	0	108.9	A77 Y82 F84 L105 K106 Y109 I115	A77-V113 HydrophobicContact CB-CG2 3.96Å; Y82-V113 CarbonylContact O-C 3.51Å; Y82-V113 WeakPolarHBondContact O-CA 3.43Å; F84-V113 HydrophobicContact CD2-CG1 4.46Å; L105-V113 HydrophobicContact CB-CG2 4.19Å; K106-V113 WeakPolarHBondContact CD-O 3.17Å; K106-V113 PolarHBondContact NZ-O 3.25Å; Y109-V113 PolarHBondContact O-N 3.01Å; Y109-V113 VanDerWaalsContact O-N 3.08Å; V113-I115 HydrophobicContact CG1-CG2 4.18Å
114	T	98.9	Very high	98.4	Very high	12 Å²	12	31.8 Å²	31.8	7%	0.074	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132	170.6	-58.1	0	0	0	0	108.2	Q48 V50 Y82 L83 F84 L116	Q48-T114 HydrophobicContact CG-CG2 4.07Å; V50-T114 HydrophobicContact CG2-CG2 4.04Å; Y82-T114 PolarHBondContact O-N 2.96Å; L83-T114 WeakPolarHBondContact CA-O 3.44Å; L83-T114 HydrophobicContact CG-CG2 4.39Å; F84-T114 PolarHBondContact N-O 3.25Å; T114-L116 HydrophobicContact CG2-CD2 4Å
115	I	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.6	176.3	54.5	179	0	0	0	107.8	L41 F84 Y88 L102 V103 K106 V113 F155	L41-I115 HydrophobicContact CD2-CG1 4.29Å; F84-I115 HydrophobicContact CB-CG2 4.39Å; Y88-I115 HydrophobicContact CE2-CB 4.21Å; Y88-I115 WeakPolarHBondContact OH-CA 3.49Å; Y88-I115 WeakPolarHBondContact OH-CB 3.4Å; L102-I115 HydrophobicContact CB-CG2 4.43Å; V103-I115 HydrophobicContact CG2-CD1 4.15Å; K106-I115 HydrophobicContact CB-CD1 3.93Å; K106-I115 HydrophobicContact CB-CG1 4.4Å; K106-I115 HydrophobicContact CD-CG1 4.38Å; K106-I115 HydrophobicContact CG-CD1 3.94Å; K106-I115 HydrophobicContact CG-CG1 4.14Å; V113-I115 HydrophobicContact CG1-CG2 4.18Å; I115-F155 HydrophobicContact CD1-CD1 4.39Å; I115-F155 HydrophobicContact CD1-CE1 3.75Å; I115-F155 HydrophobicContact CD1-CE2 4.35Å; I115-F155 HydrophobicContact CD1-CZ 3.73Å; I115-F155 HydrophobicContact CG1-CE1 4.46Å
116	L	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	14%	0.144	C	C	.	.			trans	-98.2	166.2	176.2	-54.9	-172.9	0	0	0	110.6	L83 F84 M85 Y88 T114 P156 A159 C167	L83-L116 HydrophobicContact CD2-CD1 3.88Å; L83-L116 HydrophobicContact CD2-CG 4.16Å; F84-L116 PolarHBondContact O-N 3.18Å; M85-L116 HydrophobicContact CG-CD1 4.44Å; Y88-L116 WeakPolarHBondContact CE2-O 3.19Å; Y88-L116 PolarHBondContact OH-N 3.46Å; Y88-L116 PolarHBondContact OH-O 2.82Å; T114-L116 HydrophobicContact CG2-CD2 4Å; L116-P156 CarbonylContact C-O 3.44Å; L116-P156 WeakPolarHBondContact CA-O 3.33Å; L116-P156 HydrophobicContact CD2-CB 3.88Å; L116-A159 HydrophobicContact CD1-CB 4.16Å; L116-A159 HydrophobicContact CD2-CB 4.02Å; L116-C167 HydrophobicContact CD1-CB 4.44Å
117	R	98.9	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.168	C	C	.	.			trans	-83.2	127.5	174.3	-157.6	173.8	-175.4	168	6.5	109.8	E121 F152 D153 F155 P156 H169 Q189 L201	R117-E121 HydrophobicContact CG-CB 3.89Å; R117-E121 PolarHBondContact NE-O 3.44Å; R117-E121 PolarHBondContact NH2-O 3.45Å; R117-F152 WeakPolarHBondContact CD-O 3.04Å; R117-F152 PolarHBondContact NE-O 3.37Å; R117-D153 IonicContact CZ-OD1 2.7Å; R117-D153 IonicContact NH1-OD1 3.45Å; R117-D153 IonicContact NH2-OD1 2.61Å; R117-D153 PolarHBondContact NH2-OD1 3.31Å; R117-F155 HydrophobicContact CB-CB 3.73Å; R117-F155 HydrophobicContact CG-CB 4.14Å; R117-P156 PolarHBondContact N-O 3.43Å; R117-H169 WeakPolarHBondContact O-CB 3.43Å; R117-Q189 PolarHBondContact NH1-O 3.42Å; R117-L201 HydrophobicContact CB-CD2 4.39Å; R117-L201 HydrophobicContact CG-CD1 4.36Å; R117-L201 WeakPolarHBondContact O-CD2 3.49Å
118	G	98.9	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.19	C	C	.	.			trans	-91.6	175.4	163.1	0	0	0	0	0	112	D87 H120 E121 H169	D87-G118 WeakPolarHBondContact OD1-CA 3.45Å; G118-H120 PolarHBondContact O-N 2.95Å; G118-E121 WeakPolarHBondContact CA-OE2 3.36Å; G118-E121 PolarHBondContact N-OE2 3.07Å; G118-E121 PolarHBondContact O-N 2.94Å; G118-H169 VanDerWaalsContact CA-CD2 3.46Å; G118-H169 WeakPolarHBondContact CA-CD2 3.34Å; G118-H169 VanDerWaalsContact CA-CG 3.49Å
119	N	98.8	Very high	98.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.4	176.2	67	-67	0	0	0	112.4	D87 S122 H169 L201 W202 H243	D87-N119 PolarHBondContact OD1-N 3.16Å; D87-N119 PolarHBondContact OD1-OD1 2.9Å; D87-N119 PolarHBondContact OD2-OD1 2.72Å; N119-S122 WeakPolarHBondContact O-CB 3.37Å; N119-H169 PolarHBondContact N-CD2 2.89Å; N119-H169 PolarHBondContact OD1-CD2 3.18Å; N119-H169 VanDerWaalsContact OD1-CD2 3.3Å; N119-H169 PolarHBondContact OD1-NE2 3.04Å; N119-L201 HydrophobicContact CB-CB 4.21Å; N119-W202 HydrophobicContact CB-CD2 4.03Å; N119-W202 HydrophobicContact CB-CG 4.31Å; N119-W202 HydrophobicContact CB-CZ2 3.88Å; N119-W202 WeakPolarHBondContact ND2-CH2 3.43Å; N119-W202 WeakPolarHBondContact ND2-CZ2 2.96Å; N119-H243 PolarHBondContact OD1-CE1 3.19Å; N119-H243 VanDerWaalsContact OD1-CE1 3.24Å; N119-H243 PolarHBondContact OD1-ND1 3.27Å
120	H	98.7	Very high	98.1	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.032	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.2	174.1	-80.5	-98.6	0	0	0	114.1	H61 D87 V89 D90 G118 S122 I125 T126 Y129	H61-H120 AromaticContact CE1-CD2 3.47Å; H61-H120 PolarHBondContact CE1-CD2 2.75Å; H61-H120 VanDerWaalsContact CE1-CD2 3.47Å; H61-H120 AromaticContact CE1-CE1 3.98Å; H61-H120 AromaticContact CE1-CG 3.67Å; H61-H120 AromaticContact CE1-ND1 3.98Å; H61-H120 AromaticContact CE1-NE2 3.68Å; D87-H120 HydrophobicContact CB-CB 4.47Å; D87-H120 WeakPolarHBondContact OD1-CB 3.46Å; D87-H120 IonicContact OD1-CD2 3.17Å; D87-H120 IonicContact OD1-CG 2.71Å; D87-H120 PolarHBondContact OD1-N 2.83Å; D87-H120 IonicContact OD2-CD2 3.77Å; D87-H120 PolarHBondContact OD2-CD2 2.81Å; V89-H120 HydrophobicContact CG2-CB 4.29Å; D90-H120 VanDerWaalsContact CB-ND1 3.29Å; D90-H120 WeakPolarHBondContact CB-ND1 3.28Å; D90-H120 IonicContact OD2-CE1 3.14Å; D90-H120 IonicContact OD2-CG 3.75Å; D90-H120 IonicContact OD2-ND1 3.9Å; D90-H120 PolarHBondContact OD2-ND1 2.84Å; G118-H120 PolarHBondContact O-N 2.95Å; H120-S122 PolarHBondContact O-N 3.22Å; H120-I125 HydrophobicContact CB-CG2 4.29Å; H120-I125 VanDerWaalsContact CE1-CG2 3.45Å; H120-I125 WeakPolarHBondContact CE1-CG2 3.47Å; H120-I125 WeakPolarHBondContact ND1-CG2 3.2Å; H120-T126 WeakPolarHBondContact O-CG2 3.4Å; H120-Y129 AromaticContact CE1-CG 3.97Å
121	E	98.8	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-78.2	53.9	170.7	-77.6	72	-132.9	0	0	111.8	D87 Y88 V89 R117 G118 F152 F155	D87-E121 WeakPolarHBondContact CA-OE2 3.21Å; D87-E121 PolarHBondContact N-OE2 3.38Å; Y88-E121 HydrophobicContact CD2-CG 4.15Å; Y88-E121 PolarHBondContact N-OE1 2.91Å; V89-E121 PolarHBondContact N-OE1 3.05Å; R117-E121 HydrophobicContact CG-CB 3.89Å; R117-E121 PolarHBondContact NE-O 3.44Å; R117-E121 PolarHBondContact NH2-O 3.45Å; G118-E121 WeakPolarHBondContact CA-OE2 3.36Å; G118-E121 PolarHBondContact N-OE2 3.07Å; G118-E121 PolarHBondContact O-N 2.94Å; E121-F152 HydrophobicContact CB-CB 3.92Å; E121-F152 HydrophobicContact CB-CD1 4.11Å; E121-F152 HydrophobicContact CB-CD2 3.74Å; E121-F152 HydrophobicContact CB-CE2 4.28Å; E121-F152 HydrophobicContact CB-CG 3.66Å; E121-F152 HydrophobicContact CG-CD1 3.8Å; E121-F152 HydrophobicContact CG-CD2 3.98Å; E121-F152 HydrophobicContact CG-CE1 3.92Å; E121-F152 HydrophobicContact CG-CE2 4.09Å; E121-F152 HydrophobicContact CG-CG 3.85Å; E121-F152 HydrophobicContact CG-CZ 4.05Å; E121-F152 WeakPolarHBondContact O-CB 3.46Å; E121-F155 HydrophobicContact CG-CD2 4.24Å; E121-F155 HydrophobicContact CG-CE2 4.07Å
122	S	98.7	Very high	98.2	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.042	14%	0.144	C	C	.	.	S	Bend	trans	-135	140.5	-175	159.3	0	0	0	0	110.6	N119 H120 Q124 I125 T126 E190	N119-S122 WeakPolarHBondContact O-CB 3.37Å; H120-S122 PolarHBondContact O-N 3.22Å; S122-Q124 VanDerWaalsContact C-N 3.31Å; S122-Q124 PolarHBondContact O-N 2.91Å; S122-Q124 PolarHBondContact OG-N 3.28Å; S122-I125 PolarHBondContact OG-N 2.78Å; S122-T126 WeakPolarHBondContact O-CB 3.38Å; S122-T126 WeakPolarHBondContact O-CG2 3.36Å; S122-T126 PolarHBondContact O-N 2.99Å; S122-T126 PolarHBondContact O-OG1 2.78Å; S122-E190 WeakPolarHBondContact CA-OE1 2.92Å; S122-E190 VanDerWaalsContact CB-OE1 3.28Å; S122-E190 WeakPolarHBondContact CB-OE1 3.5Å; S122-E190 PolarHBondContact OG-OE1 2.96Å
123	R	98.7	Very high	98.2	Very high	52 Å²	52	30.3 Å²	30.3	20%	0.196	15%	0.147	C	C	.	.	H	α-helix	trans	-61.1	-41	175.7	-69.8	170.7	-174.6	84.3	-5.5	111.9	T126 Q127 W145 T149 D150 D153 E190	R123-T126 PolarHBondContact O-OG1 3.19Å; R123-Q127 VanDerWaalsContact O-CG 3.25Å; R123-Q127 WeakPolarHBondContact O-CG 3.16Å; R123-Q127 PolarHBondContact O-N 2.52Å; R123-W145 HydrophobicContact CB-CH2 4.23Å; R123-W145 HydrophobicContact CB-CZ2 3.91Å; R123-W145 HydrophobicContact CG-CH2 4.18Å; R123-W145 HydrophobicContact CG-CZ2 4.03Å; R123-T149 HydrophobicContact CG-CG2 3.81Å; R123-T149 PolarHBondContact NH2-O 3.47Å; R123-D150 IonicContact CZ-OD1 3.62Å; R123-D150 IonicContact NE-OD1 3.46Å; R123-D150 IonicContact NH2-OD1 3.75Å; R123-D150 PolarHBondContact NH2-OD1 2.88Å; R123-D153 IonicContact CZ-OD1 2.87Å; R123-D153 IonicContact CZ-OD2 3.12Å; R123-D153 VanDerWaalsContact CZ-OD2 3.29Å; R123-D153 IonicContact NH1-OD1 3.18Å; R123-D153 PolarHBondContact NH1-OD1 3.03Å; R123-D153 IonicContact NH1-OD2 3.92Å; R123-D153 PolarHBondContact NH1-OD2 2.89Å; R123-D153 IonicContact NH2-OD2 2.8Å; R123-D153 PolarHBondContact NH2-OD2 3.02Å; R123-E190 WeakPolarHBondContact CB-OE2 3.17Å; R123-E190 WeakPolarHBondContact CD-OE2 3.47Å; R123-E190 VanDerWaalsContact CG-OE2 3.23Å; R123-E190 WeakPolarHBondContact CG-OE2 3.5Å; R123-E190 IonicContact CZ-OE2 2.8Å; R123-E190 PolarHBondContact N-OE1 3.18Å; R123-E190 PolarHBondContact N-OE2 3.09Å; R123-E190 VanDerWaalsContact N-OE2 3.12Å; R123-E190 IonicContact NH1-OE2 3.45Å; R123-E190 PolarHBondContact NH1-OE2 3.11Å
124	Q	97.7	Very high	98.2	Very high	86 Å²	86	30.6 Å²	30.6	40%	0.402	15%	0.149	S	C	.	.	H	α-helix	trans	-69.7	-42	-175.4	-57.1	-167.6	48.3	0	0	111.7	S122 H193	S122-Q124 VanDerWaalsContact C-N 3.31Å; S122-Q124 PolarHBondContact O-N 2.91Å; S122-Q124 PolarHBondContact OG-N 3.28Å; Q124-H193 PolarHBondContact NE2-CE1 3.36Å; Q124-H193 PolarHBondContact NE2-NE2 3.41Å; Q124-H193 PolarHBondContact OE1-CE1 3.27Å; Q124-H193 PolarHBondContact OE1-NE2 3.06Å
125	I	98.1	Very high	98.1	Very high	26 Å²	26	30 Å²	30	13%	0.133	15%	0.145	C	C	.	.	H	α-helix	trans	-70	-48.4	179.7	-58.1	-56.9	0	0	0	110.2	H120 S122 Q127 V128 Y129 W202	H120-I125 HydrophobicContact CB-CG2 4.29Å; H120-I125 VanDerWaalsContact CE1-CG2 3.45Å; H120-I125 WeakPolarHBondContact CE1-CG2 3.47Å; H120-I125 WeakPolarHBondContact ND1-CG2 3.2Å; S122-I125 PolarHBondContact OG-N 2.78Å; I125-Q127 PolarHBondContact O-N 2.93Å; I125-Q127 VanDerWaalsContact O-N 3.13Å; I125-V128 PolarHBondContact O-N 2.94Å; I125-Y129 HydrophobicContact CB-CD2 4.34Å; I125-Y129 HydrophobicContact CD1-CE2 4.31Å; I125-Y129 HydrophobicContact CG2-CD2 3.46Å; I125-Y129 VanDerWaalsContact CG2-CD2 3.46Å; I125-Y129 HydrophobicContact CG2-CE2 4.04Å; I125-Y129 HydrophobicContact CG2-CG 4.32Å; I125-Y129 VanDerWaalsContact O-CD2 3.27Å; I125-Y129 WeakPolarHBondContact O-CD2 3.29Å; I125-Y129 PolarHBondContact O-N 3.01Å; I125-W202 HydrophobicContact CD1-CH2 3.96Å; I125-W202 HydrophobicContact CD1-CZ2 3.78Å; I125-W202 HydrophobicContact CG1-CZ2 4.12Å
126	T	98.4	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-23.2	-177.6	53	0	0	0	0	114.8	V89 D90 H120 S122 R123 V128 F131 Y132 W145	V89-T126 HydrophobicContact CG2-CG2 3.75Å; D90-T126 WeakPolarHBondContact OD2-CA 3.39Å; H120-T126 WeakPolarHBondContact O-CG2 3.4Å; S122-T126 WeakPolarHBondContact O-CB 3.38Å; S122-T126 WeakPolarHBondContact O-CG2 3.36Å; S122-T126 PolarHBondContact O-N 2.99Å; S122-T126 PolarHBondContact O-OG1 2.78Å; R123-T126 PolarHBondContact O-OG1 3.19Å; T126-V128 PolarHBondContact O-N 2.8Å; T126-F131 HydrophobicContact CG2-CB 3.89Å; T126-F131 HydrophobicContact CG2-CD1 3.68Å; T126-F131 HydrophobicContact CG2-CG 4.22Å; T126-Y132 VanDerWaalsContact O-CB 3.23Å; T126-Y132 WeakPolarHBondContact O-CB 3.35Å; T126-Y132 PolarHBondContact O-N 2.86Å; T126-W145 PolarHBondContact OG1-NE1 2.85Å
127	Q	97.3	Very high	98	Very high	108 Å²	108	41 Å²	41	51%	0.505	19%	0.192	S	C	.	.	H	α-helix	trans	-68.2	-21.9	172.9	-81.8	178	-18.9	0	0	113.5	R123 I125 Y132 W145	R123-Q127 VanDerWaalsContact O-CG 3.25Å; R123-Q127 WeakPolarHBondContact O-CG 3.16Å; R123-Q127 PolarHBondContact O-N 2.52Å; I125-Q127 PolarHBondContact O-N 2.93Å; I125-Q127 VanDerWaalsContact O-N 3.13Å; Q127-Y132 HydrophobicContact CG-CD2 4.31Å; Q127-Y132 HydrophobicContact CG-CG 4.48Å; Q127-W145 HydrophobicContact CG-CH2 4.34Å; Q127-W145 HydrophobicContact CG-CZ2 3.8Å
128	V	96.5	Very high	98	Very high	93 Å²	93	42.6 Å²	42.6	56%	0.564	20%	0.198	S	C	*	.	H	α-helix	trans	-111.3	-32.9	-173.8	-176.5	0	0	0	0	111.9	I125 T126	I125-V128 PolarHBondContact O-N 2.94Å; T126-V128 PolarHBondContact O-N 2.8Å
129	Y	96.9	Very high	97.9	Very high	74 Å²	74	44.2 Å²	44.2	29%	0.29	20%	0.204	S	C	.	.	H	α-helix	trans	-102.5	9.1	-167.8	-67.4	-76.4	0	0	0	115.4	D90 R91 H120 I125	D90-Y129 WeakPolarHBondContact CB-O 3.48Å; D90-Y129 VanDerWaalsContact CG-CB 3.49Å; R91-Y129 VanDerWaalsContact CZ-CE1 3.49Å; R91-Y129 PolarHBondContact N-O 2.8Å; R91-Y129 VanDerWaalsContact NH2-CE1 3.32Å; H120-Y129 AromaticContact CE1-CG 3.97Å; I125-Y129 HydrophobicContact CB-CD2 4.34Å; I125-Y129 HydrophobicContact CD1-CE2 4.31Å; I125-Y129 HydrophobicContact CG2-CD2 3.46Å; I125-Y129 VanDerWaalsContact CG2-CD2 3.46Å; I125-Y129 HydrophobicContact CG2-CE2 4.04Å; I125-Y129 HydrophobicContact CG2-CG 4.32Å; I125-Y129 VanDerWaalsContact O-CD2 3.27Å; I125-Y129 WeakPolarHBondContact O-CD2 3.29Å; I125-Y129 PolarHBondContact O-N 3.01Å
130	G	96.1	Very high	97.9	Very high	6 Å²	6	46.9 Å²	46.9	6%	0.062	23%	0.233	C	C	.	.	S	Bend	trans	120.7	-22.1	159.5	0	0	0	0	0	115.9	D90 Y132 D133 E134	D90-G130 PolarHBondContact OD1-N 2.77Å; G130-Y132 PolarHBondContact O-N 3.13Å; G130-D133 PolarHBondContact O-N 2.82Å; G130-E134 WeakPolarHBondContact O-CB 3.32Å; G130-E134 PolarHBondContact O-N 3.04Å
131	F	98.4	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-37.9	-175.5	-178.5	-126.1	0	0	0	113.1	V89 D90 S95 V96 V99 T126 E134 C135 W145 F148 F152	V89-F131 HydrophobicContact CB-CB 4.05Å; V89-F131 HydrophobicContact CB-CD1 4.18Å; V89-F131 HydrophobicContact CB-CD2 3.95Å; V89-F131 HydrophobicContact CB-CE2 4.4Å; V89-F131 HydrophobicContact CB-CG 3.81Å; V89-F131 HydrophobicContact CG1-CD1 4.19Å; V89-F131 HydrophobicContact CG1-CD2 3.92Å; V89-F131 HydrophobicContact CG1-CE1 4.14Å; V89-F131 HydrophobicContact CG1-CE2 3.85Å; V89-F131 HydrophobicContact CG1-CG 4.07Å; V89-F131 HydrophobicContact CG1-CZ 3.95Å; V89-F131 HydrophobicContact CG2-CB 4.28Å; V89-F131 HydrophobicContact CG2-CD1 4.22Å; V89-F131 HydrophobicContact CG2-CG 4.21Å; D90-F131 WeakPolarHBondContact OD1-CB 3.23Å; D90-F131 PolarHBondContact OD1-N 2.85Å; S95-F131 VanDerWaalsContact CB-CD2 3.49Å; V96-F131 HydrophobicContact CG2-CE2 3.93Å; V99-F131 HydrophobicContact CG1-CE2 4.2Å; V99-F131 HydrophobicContact CG1-CZ 4.05Å; T126-F131 HydrophobicContact CG2-CB 3.89Å; T126-F131 HydrophobicContact CG2-CD1 3.68Å; T126-F131 HydrophobicContact CG2-CG 4.22Å; F131-E134 PolarHBondContact O-N 3.02Å; F131-C135 VanDerWaalsContact CE2-SG 3.57Å; F131-C135 PolarHBondContact O-N 2.93Å; F131-C135 PolarHBondContact O-SG 2.79Å; F131-W145 AromaticContact CD1-CD1 3.83Å; F131-F148 HydrophobicContact CE1-CB 3.89Å; F131-F148 HydrophobicContact CE1-CD2 4.45Å; F131-F148 HydrophobicContact CE1-CG 4.44Å; F131-F148 HydrophobicContact CZ-CB 3.93Å; F131-F148 AromaticContact CZ-CD2 3.7Å; F131-F148 HydrophobicContact CZ-CD2 3.7Å; F131-F148 HydrophobicContact CZ-CE2 4.49Å; F131-F148 AromaticContact CZ-CG 3.97Å; F131-F148 HydrophobicContact CZ-CG 3.97Å; F131-F152 HydrophobicContact CD1-CE2 4.42Å; F131-F152 AromaticContact CE1-CE2 3.98Å; F131-F152 HydrophobicContact CE1-CE2 3.98Å; F131-F152 AromaticContact CE1-CZ 3.92Å; F131-F152 HydrophobicContact CE1-CZ 3.92Å; F131-F152 HydrophobicContact CZ-CZ 4.39Å
132	Y	98.5	Very high	97.8	Very high	69 Å²	69	50.6 Å²	50.6	27%	0.271	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-50.8	173.8	179.2	-90	0	0	0	111.6	T126 Q127 G130 E134 C135 L136 A142 W145	T126-Y132 VanDerWaalsContact O-CB 3.23Å; T126-Y132 WeakPolarHBondContact O-CB 3.35Å; T126-Y132 PolarHBondContact O-N 2.86Å; Q127-Y132 HydrophobicContact CG-CD2 4.31Å; Q127-Y132 HydrophobicContact CG-CG 4.48Å; G130-Y132 PolarHBondContact O-N 3.13Å; Y132-E134 VanDerWaalsContact C-N 3.31Å; Y132-E134 PolarHBondContact O-N 3.35Å; Y132-C135 PolarHBondContact O-N 3.01Å; Y132-L136 HydrophobicContact CE1-CD2 4.33Å; Y132-L136 PolarHBondContact O-N 3.48Å; Y132-A142 HydrophobicContact CE2-CB 4.09Å; Y132-W145 HydrophobicContact CD2-CB 4.41Å; Y132-W145 AromaticContact CD2-CD1 4Å; Y132-W145 AromaticContact CD2-CD2 3.53Å; Y132-W145 HydrophobicContact CD2-CD2 3.53Å; Y132-W145 AromaticContact CD2-CE2 3.7Å; Y132-W145 AromaticContact CD2-CE3 3.93Å; Y132-W145 HydrophobicContact CD2-CE3 3.93Å; Y132-W145 AromaticContact CD2-CG 3.74Å; Y132-W145 HydrophobicContact CD2-CG 3.74Å; Y132-W145 HydrophobicContact CD2-CZ2 4.24Å; Y132-W145 HydrophobicContact CD2-CZ3 4.43Å; Y132-W145 AromaticContact CD2-NE1 3.97Å; Y132-W145 HydrophobicContact CE2-CD2 4.07Å; Y132-W145 AromaticContact CE2-CE3 3.98Å; Y132-W145 HydrophobicContact CE2-CE3 3.98Å; Y132-W145 HydrophobicContact CE2-CG 4.49Å; Y132-W145 HydrophobicContact CE2-CZ3 4.35Å
133	D	97.4	Very high	97.8	Very high	93 Å²	93	53.4 Å²	53.4	50%	0.497	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-35.4	-179.9	-74.4	-21.5	0	0	0	111.8	G130 R137	G130-D133 PolarHBondContact O-N 2.82Å; D133-R137 VanDerWaalsContact O-CB 3.23Å; D133-R137 WeakPolarHBondContact O-CB 3.28Å; D133-R137 PolarHBondContact O-N 3.47Å
134	E	98	Very high	97.8	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-49	173.7	-170.9	-175.5	149.3	0	0	111.5	Y94 S95 V96 G130 F131 Y132 R137 K138	Y94-E134 WeakPolarHBondContact CA-OE1 3.18Å; S95-E134 WeakPolarHBondContact CB-OE2 3.47Å; S95-E134 VanDerWaalsContact N-CD 3.34Å; S95-E134 PolarHBondContact N-OE1 3.44Å; S95-E134 PolarHBondContact N-OE2 2.83Å; S95-E134 PolarHBondContact OG-OE2 2.82Å; V96-E134 WeakPolarHBondContact CB-OE1 3.26Å; V96-E134 HydrophobicContact CG2-CG 4.04Å; V96-E134 WeakPolarHBondContact CG2-OE1 3.27Å; V96-E134 PolarHBondContact N-OE1 2.97Å; G130-E134 WeakPolarHBondContact O-CB 3.32Å; G130-E134 PolarHBondContact O-N 3.04Å; F131-E134 PolarHBondContact O-N 3.02Å; Y132-E134 VanDerWaalsContact C-N 3.31Å; Y132-E134 PolarHBondContact O-N 3.35Å; E134-R137 PolarHBondContact O-N 3.37Å; E134-K138 HydrophobicContact CG-CD 4.05Å; E134-K138 WeakPolarHBondContact O-CB 3.38Å; E134-K138 WeakPolarHBondContact O-CG 3.15Å; E134-K138 PolarHBondContact O-N 2.9Å; E134-K138 IonicContact OE1-NZ 3.39Å; E134-K138 PolarHBondContact OE1-NZ 2.89Å
135	C	98.4	Very high	97.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-47.4	177.6	-70.5	0	0	0	0	111.2	F131 Y132 R137 K138 Y139 W145	F131-C135 VanDerWaalsContact CE2-SG 3.57Å; F131-C135 PolarHBondContact O-N 2.93Å; F131-C135 PolarHBondContact O-SG 2.79Å; Y132-C135 PolarHBondContact O-N 3.01Å; C135-R137 VanDerWaalsContact C-N 3.31Å; C135-R137 PolarHBondContact O-N 2.84Å; C135-K138 PolarHBondContact O-N 2.75Å; C135-Y139 WeakPolarHBondContact O-CB 3.47Å; C135-Y139 WeakPolarHBondContact O-CD2 3.48Å; C135-Y139 PolarHBondContact O-N 3.06Å; C135-W145 HydrophobicContact CB-CB 3.81Å
136	L	97.8	Very high	97.9	Very high	70 Å²	70	51.9 Å²	51.9	37%	0.366	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-41.4	179.3	-175.2	63	0	0	0	111.6	Y132 G140	Y132-L136 HydrophobicContact CE1-CD2 4.33Å; Y132-L136 PolarHBondContact O-N 3.48Å; L136-G140 WeakPolarHBondContact O-CA 3.45Å; L136-G140 PolarHBondContact O-N 2.82Å
137	R	97.7	Very high	97.9	Very high	161 Å²	161	54.1 Å²	54.1	61%	0.608	27%	0.274	S	S	*	.	H	α-helix	trans	-67.1	-40.1	177.4	179.2	177.9	56.5	81.4	-3.8	112.9	D133 E134 C135	D133-R137 VanDerWaalsContact O-CB 3.23Å; D133-R137 WeakPolarHBondContact O-CB 3.28Å; D133-R137 PolarHBondContact O-N 3.47Å; E134-R137 PolarHBondContact O-N 3.37Å; C135-R137 VanDerWaalsContact C-N 3.31Å; C135-R137 PolarHBondContact O-N 2.84Å
138	K	97.9	Very high	98	Very high	33 Å²	33	49 Å²	49	14%	0.143	25%	0.25	C	S	.	.	H	α-helix	trans	-81.9	-28.4	-175.5	-75	-176.9	178.1	171.8	0	114	Q24 Y93 V96 E97 E134 C135	Q24-K138 PolarHBondContact NE2-O 3.37Å; Y93-K138 PolarHBondContact O-NZ 2.83Å; V96-K138 HydrophobicContact CB-CD 4.04Å; V96-K138 HydrophobicContact CG1-CD 4.33Å; V96-K138 HydrophobicContact CG2-CD 4.07Å; E97-K138 WeakPolarHBondContact OE1-CE 3.36Å; E97-K138 IonicContact OE1-NZ 3.64Å; E97-K138 PolarHBondContact OE1-NZ 3.44Å; E97-K138 IonicContact OE2-NZ 3.5Å; E97-K138 PolarHBondContact OE2-NZ 3.35Å; E134-K138 HydrophobicContact CG-CD 4.05Å; E134-K138 WeakPolarHBondContact O-CB 3.38Å; E134-K138 WeakPolarHBondContact O-CG 3.15Å; E134-K138 PolarHBondContact O-N 2.9Å; E134-K138 IonicContact OE1-NZ 3.39Å; E134-K138 PolarHBondContact OE1-NZ 2.89Å; C135-K138 PolarHBondContact O-N 2.75Å
139	Y	98.3	Very high	98.1	Very high	33 Å²	33	44.6 Å²	44.6	13%	0.129	22%	0.224	C	C	.	.	H	α-helix	trans	-117.8	-11.5	-174.6	-65.7	-82.7	0	0	0	114.2	L25 E27 V96 C135 T141 V144	L25-Y139 WeakPolarHBondContact O-CE1 3.44Å; L25-Y139 PolarHBondContact O-OH 2.88Å; E27-Y139 HydrophobicContact CB-CD1 4.15Å; V96-Y139 HydrophobicContact CG1-CE2 3.77Å; V96-Y139 HydrophobicContact CG2-CE2 4.32Å; C135-Y139 WeakPolarHBondContact O-CB 3.47Å; C135-Y139 WeakPolarHBondContact O-CD2 3.48Å; C135-Y139 PolarHBondContact O-N 3.06Å; Y139-T141 PolarHBondContact O-N 2.89Å; Y139-V144 HydrophobicContact CD1-CG2 3.6Å; Y139-V144 HydrophobicContact CD2-CB 3.74Å; Y139-V144 HydrophobicContact CD2-CG1 3.88Å; Y139-V144 HydrophobicContact CD2-CG2 3.64Å; Y139-V144 HydrophobicContact CE1-CG2 3.8Å; Y139-V144 HydrophobicContact CE2-CB 3.99Å; Y139-V144 HydrophobicContact CE2-CG1 3.63Å; Y139-V144 HydrophobicContact CE2-CG2 3.85Å; Y139-V144 HydrophobicContact CG-CB 4.06Å; Y139-V144 HydrophobicContact CG-CG2 3.52Å
140	G	97.8	Very high	98.2	Very high	59 Å²	59	42.8 Å²	42.8	61%	0.608	22%	0.219	S	C	*	.	S	Bend	trans	74.6	-4.8	-179.1	0	0	0	0	0	114.8	L136	L136-G140 WeakPolarHBondContact O-CA 3.45Å; L136-G140 PolarHBondContact O-N 2.82Å
141	T	97.3	Very high	98.3	Very high	53 Å²	53	42.5 Å²	42.5	33%	0.325	22%	0.216	S	C	.	.	S	Bend	trans	-139.7	167.3	177.5	80.7	0	0	0	0	110.5	E27 Y139 N143	E27-T141 PolarHBondContact OE2-OG1 3Å; Y139-T141 PolarHBondContact O-N 2.89Å; T141-N143 VanDerWaalsContact C-N 3.29Å; T141-N143 WeakPolarHBondContact OG1-CB 3.29Å; T141-N143 PolarHBondContact OG1-N 3.48Å
142	A	97.5	Very high	98.3	Very high	32 Å²	32	42.5 Å²	42.5	26%	0.264	22%	0.216	S	C	.	.	S	Bend	trans	-86	5.8	176.3	0	0	0	0	0	113.8	Y132 V144 W145 K146	Y132-A142 HydrophobicContact CE2-CB 4.09Å; A142-V144 PolarHBondContact O-N 2.92Å; A142-W145 PolarHBondContact O-N 2.7Å; A142-K146 PolarHBondContact O-N 2.89Å
143	N	98.7	Very high	98.3	Very high	65 Å²	65	40 Å²	40	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-44.5	-173.4	-72.2	-13.5	0	0	0	112.3	E27 T141 W145 K146 Y147	E27-N143 HydrophobicContact CG-CB 4.35Å; E27-N143 VanDerWaalsContact OE1-CB 3.26Å; E27-N143 WeakPolarHBondContact OE1-CB 3.22Å; E27-N143 PolarHBondContact OE1-ND2 3.28Å; T141-N143 VanDerWaalsContact C-N 3.29Å; T141-N143 WeakPolarHBondContact OG1-CB 3.29Å; T141-N143 PolarHBondContact OG1-N 3.48Å; N143-W145 PolarHBondContact O-N 3.16Å; N143-K146 CarbonylContact O-C 3.6Å; N143-K146 WeakPolarHBondContact O-CA 3.33Å; N143-K146 WeakPolarHBondContact O-CB 3.2Å; N143-K146 PolarHBondContact O-N 2.82Å; N143-K146 VanDerWaalsContact O-N 3.13Å; N143-Y147 HydrophobicContact CB-CE2 3.95Å; N143-Y147 VanDerWaalsContact O-CD2 3.29Å; N143-Y147 WeakPolarHBondContact O-CD2 3.48Å; N143-Y147 PolarHBondContact O-N 2.91Å
144	V	98.8	Very high	98.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-42.9	178.5	169.3	0	0	0	0	112	E27 V30 Y139 A142 K146 Y147 F148	E27-V144 HydrophobicContact CB-CG2 4.19Å; E27-V144 HydrophobicContact CG-CG2 3.91Å; V30-V144 HydrophobicContact CB-CG2 4.49Å; V30-V144 HydrophobicContact CG1-CG1 4.04Å; V30-V144 HydrophobicContact CG1-CG2 4.44Å; Y139-V144 HydrophobicContact CD1-CG2 3.6Å; Y139-V144 HydrophobicContact CD2-CB 3.74Å; Y139-V144 HydrophobicContact CD2-CG1 3.88Å; Y139-V144 HydrophobicContact CD2-CG2 3.64Å; Y139-V144 HydrophobicContact CE1-CG2 3.8Å; Y139-V144 HydrophobicContact CE2-CB 3.99Å; Y139-V144 HydrophobicContact CE2-CG1 3.63Å; Y139-V144 HydrophobicContact CE2-CG2 3.85Å; Y139-V144 HydrophobicContact CG-CB 4.06Å; Y139-V144 HydrophobicContact CG-CG2 3.52Å; A142-V144 PolarHBondContact O-N 2.92Å; V144-K146 VanDerWaalsContact C-N 3.27Å; V144-K146 PolarHBondContact O-N 2.94Å; V144-Y147 PolarHBondContact O-N 3.47Å; V144-F148 HydrophobicContact CG1-CD2 3.61Å; V144-F148 HydrophobicContact CG1-CE2 3.55Å; V144-F148 WeakPolarHBondContact O-CD2 3.13Å; V144-F148 PolarHBondContact O-N 2.86Å
145	W	98.8	Very high	98.5	Very high	30 Å²	30	38.4 Å²	38.4	11%	0.114	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-41.9	173.4	172.5	81.8	0	0	0	111.3	R123 T126 Q127 F131 Y132 C135 A142 N143 F148 T149	R123-W145 HydrophobicContact CB-CH2 4.23Å; R123-W145 HydrophobicContact CB-CZ2 3.91Å; R123-W145 HydrophobicContact CG-CH2 4.18Å; R123-W145 HydrophobicContact CG-CZ2 4.03Å; T126-W145 PolarHBondContact OG1-NE1 2.85Å; Q127-W145 HydrophobicContact CG-CH2 4.34Å; Q127-W145 HydrophobicContact CG-CZ2 3.8Å; F131-W145 AromaticContact CD1-CD1 3.83Å; Y132-W145 HydrophobicContact CD2-CB 4.41Å; Y132-W145 AromaticContact CD2-CD1 4Å; Y132-W145 AromaticContact CD2-CD2 3.53Å; Y132-W145 HydrophobicContact CD2-CD2 3.53Å; Y132-W145 AromaticContact CD2-CE2 3.7Å; Y132-W145 AromaticContact CD2-CE3 3.93Å; Y132-W145 HydrophobicContact CD2-CE3 3.93Å; Y132-W145 AromaticContact CD2-CG 3.74Å; Y132-W145 HydrophobicContact CD2-CG 3.74Å; Y132-W145 HydrophobicContact CD2-CZ2 4.24Å; Y132-W145 HydrophobicContact CD2-CZ3 4.43Å; Y132-W145 AromaticContact CD2-NE1 3.97Å; Y132-W145 HydrophobicContact CE2-CD2 4.07Å; Y132-W145 AromaticContact CE2-CE3 3.98Å; Y132-W145 HydrophobicContact CE2-CE3 3.98Å; Y132-W145 HydrophobicContact CE2-CG 4.49Å; Y132-W145 HydrophobicContact CE2-CZ3 4.35Å; C135-W145 HydrophobicContact CB-CB 3.81Å; A142-W145 PolarHBondContact O-N 2.7Å; N143-W145 PolarHBondContact O-N 3.16Å; W145-F148 PolarHBondContact O-N 2.87Å; W145-T149 HydrophobicContact CD2-CG2 4.22Å; W145-T149 HydrophobicContact CG-CG2 4.42Å; W145-T149 HydrophobicContact CZ2-CG2 4.06Å; W145-T149 WeakPolarHBondContact O-CB 3.4Å; W145-T149 WeakPolarHBondContact O-CG2 3.43Å; W145-T149 PolarHBondContact O-N 3.15Å; W145-T149 PolarHBondContact O-OG1 2.87Å
146	K	98.8	Very high	98.5	Very high	102 Å²	102	38.4 Å²	38.4	44%	0.443	20%	0.195	S	C	.	.	H	α-helix	trans	-63.1	-43.6	175.3	178.4	169.9	173.1	46.4	0	112.1	A142 N143 V144 F148 T149 D150	A142-K146 PolarHBondContact O-N 2.89Å; N143-K146 CarbonylContact O-C 3.6Å; N143-K146 WeakPolarHBondContact O-CA 3.33Å; N143-K146 WeakPolarHBondContact O-CB 3.2Å; N143-K146 PolarHBondContact O-N 2.82Å; N143-K146 VanDerWaalsContact O-N 3.13Å; V144-K146 VanDerWaalsContact C-N 3.27Å; V144-K146 PolarHBondContact O-N 2.94Å; K146-F148 PolarHBondContact O-N 2.79Å; K146-T149 PolarHBondContact O-OG1 2.78Å; K146-D150 IonicContact NZ-OD1 3.46Å; K146-D150 PolarHBondContact NZ-OD1 2.88Å; K146-D150 IonicContact NZ-OD2 2.68Å; K146-D150 PolarHBondContact NZ-OD2 2.75Å; K146-D150 VanDerWaalsContact O-CB 3.27Å; K146-D150 WeakPolarHBondContact O-CB 3.37Å; K146-D150 PolarHBondContact O-N 2.81Å
147	Y	98.9	Very high	98.5	Very high	47 Å²	47	35.1 Å²	35.1	18%	0.184	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-44.6	179.4	-57.8	-33	0	0	0	111.8	E27 V30 K31 N143 V144 L151	E27-Y147 HydrophobicContact CG-CE2 3.86Å; V30-Y147 HydrophobicContact CG1-CD2 4.47Å; K31-Y147 HydrophobicContact CB-CD2 3.88Å; K31-Y147 HydrophobicContact CB-CE2 3.71Å; K31-Y147 HydrophobicContact CB-CG 4.4Å; K31-Y147 HydrophobicContact CD-CE1 4.15Å; K31-Y147 HydrophobicContact CD-CE2 4.44Å; K31-Y147 HydrophobicContact CG-CD1 4.25Å; K31-Y147 HydrophobicContact CG-CD2 4.3Å; K31-Y147 HydrophobicContact CG-CE1 4Å; K31-Y147 HydrophobicContact CG-CE2 4.07Å; K31-Y147 HydrophobicContact CG-CG 4.41Å; N143-Y147 HydrophobicContact CB-CE2 3.95Å; N143-Y147 VanDerWaalsContact O-CD2 3.29Å; N143-Y147 WeakPolarHBondContact O-CD2 3.48Å; N143-Y147 PolarHBondContact O-N 2.91Å; V144-Y147 PolarHBondContact O-N 3.47Å; Y147-L151 WeakPolarHBondContact O-CB 3.34Å; Y147-L151 PolarHBondContact O-N 2.73Å
148	F	98.9	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.7	-45.9	177.4	-79.6	-59.1	0	0	0	112.7	V30 V99 T100 F131 V144 W145 K146 D150 L151 F152	V30-F148 HydrophobicContact CG1-CD2 4.23Å; V30-F148 HydrophobicContact CG1-CE1 4.39Å; V30-F148 HydrophobicContact CG1-CE2 3.54Å; V30-F148 HydrophobicContact CG1-CZ 3.61Å; V99-F148 HydrophobicContact CG1-CD1 3.95Å; V99-F148 HydrophobicContact CG1-CD2 4.29Å; V99-F148 HydrophobicContact CG1-CE1 3.75Å; V99-F148 HydrophobicContact CG1-CE2 4.07Å; V99-F148 HydrophobicContact CG1-CG 4.24Å; V99-F148 HydrophobicContact CG1-CZ 3.82Å; V99-F148 HydrophobicContact CG2-CD1 4.31Å; V99-F148 HydrophobicContact CG2-CE1 4.41Å; T100-F148 VanDerWaalsContact OG1-CZ 3.28Å; T100-F148 WeakPolarHBondContact OG1-CZ 3.17Å; F131-F148 HydrophobicContact CE1-CB 3.89Å; F131-F148 HydrophobicContact CE1-CD2 4.45Å; F131-F148 HydrophobicContact CE1-CG 4.44Å; F131-F148 HydrophobicContact CZ-CB 3.93Å; F131-F148 AromaticContact CZ-CD2 3.7Å; F131-F148 HydrophobicContact CZ-CD2 3.7Å; F131-F148 HydrophobicContact CZ-CE2 4.49Å; F131-F148 AromaticContact CZ-CG 3.97Å; F131-F148 HydrophobicContact CZ-CG 3.97Å; V144-F148 HydrophobicContact CG1-CD2 3.61Å; V144-F148 HydrophobicContact CG1-CE2 3.55Å; V144-F148 WeakPolarHBondContact O-CD2 3.13Å; V144-F148 PolarHBondContact O-N 2.86Å; W145-F148 PolarHBondContact O-N 2.87Å; K146-F148 PolarHBondContact O-N 2.79Å; F148-D150 VanDerWaalsContact C-N 3.32Å; F148-D150 PolarHBondContact O-N 3.4Å; F148-L151 HydrophobicContact CD1-CD2 4.36Å; F148-L151 CarbonylContact O-C 3.56Å; F148-L151 WeakPolarHBondContact O-CA 3.35Å; F148-L151 WeakPolarHBondContact O-CB 3.42Å; F148-L151 PolarHBondContact O-N 3.19Å; F148-F152 HydrophobicContact CB-CE1 4.07Å; F148-F152 HydrophobicContact CB-CE2 4.3Å; F148-F152 HydrophobicContact CB-CZ 3.8Å; F148-F152 HydrophobicContact CD1-CE1 4.36Å; F148-F152 WeakPolarHBondContact O-CD1 3.34Å; F148-F152 WeakPolarHBondContact O-CG 3.37Å; F148-F152 PolarHBondContact O-N 2.75Å
149	T	98.9	Very high	98.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-66.6	-33.7	179.3	50.4	0	0	0	0	112.8	R123 W145 K146 L151 F152	R123-T149 HydrophobicContact CG-CG2 3.81Å; R123-T149 PolarHBondContact NH2-O 3.47Å; W145-T149 HydrophobicContact CD2-CG2 4.22Å; W145-T149 HydrophobicContact CG-CG2 4.42Å; W145-T149 HydrophobicContact CZ2-CG2 4.06Å; W145-T149 WeakPolarHBondContact O-CB 3.4Å; W145-T149 WeakPolarHBondContact O-CG2 3.43Å; W145-T149 PolarHBondContact O-N 3.15Å; W145-T149 PolarHBondContact O-OG1 2.87Å; K146-T149 PolarHBondContact O-OG1 2.78Å; T149-L151 VanDerWaalsContact C-N 3.28Å; T149-L151 PolarHBondContact O-N 3.31Å; T149-F152 HydrophobicContact CG2-CD2 4.06Å; T149-F152 HydrophobicContact CG2-CE2 4.16Å; T149-F152 PolarHBondContact O-N 3.04Å
150	D	98.8	Very high	98.7	Very high	36 Å²	36	24.7 Å²	24.7	19%	0.193	14%	0.138	C	C	.	.	H	α-helix	trans	-68.8	-26.3	169.9	-65.9	-13.9	0	0	0	112.3	K38 R123 K146 F148 Y154	K38-D150 VanDerWaalsContact CE-C 3.49Å; K38-D150 VanDerWaalsContact CE-O 3.25Å; K38-D150 WeakPolarHBondContact CE-O 3.32Å; K38-D150 VanDerWaalsContact NZ-CB 3.34Å; R123-D150 IonicContact CZ-OD1 3.62Å; R123-D150 IonicContact NE-OD1 3.46Å; R123-D150 IonicContact NH2-OD1 3.75Å; R123-D150 PolarHBondContact NH2-OD1 2.88Å; K146-D150 IonicContact NZ-OD1 3.46Å; K146-D150 PolarHBondContact NZ-OD1 2.88Å; K146-D150 IonicContact NZ-OD2 2.68Å; K146-D150 PolarHBondContact NZ-OD2 2.75Å; K146-D150 VanDerWaalsContact O-CB 3.27Å; K146-D150 WeakPolarHBondContact O-CB 3.37Å; K146-D150 PolarHBondContact O-N 2.81Å; F148-D150 VanDerWaalsContact C-N 3.32Å; F148-D150 PolarHBondContact O-N 3.4Å; D150-Y154 WeakPolarHBondContact O-CD2 3.42Å; D150-Y154 WeakPolarHBondContact O-CE2 2.87Å
151	L	98.9	Very high	98.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-77.3	-37.6	173.8	170.1	66.3	0	0	0	111.8	C34 A37 K38 L41 V103 Y147 F148 T149 D153 Y154 F155	C34-L151 HydrophobicContact CB-CB 4.39Å; C34-L151 HydrophobicContact CB-CD2 4.3Å; A37-L151 HydrophobicContact CB-CD1 3.57Å; A37-L151 HydrophobicContact CB-CD2 4.04Å; A37-L151 HydrophobicContact CB-CG 4.49Å; K38-L151 HydrophobicContact CG-CD1 3.72Å; L41-L151 HydrophobicContact CD1-CD1 3.75Å; V103-L151 HydrophobicContact CB-CD2 4.5Å; V103-L151 HydrophobicContact CG1-CD2 3.81Å; V103-L151 HydrophobicContact CG2-CD2 3.85Å; Y147-L151 WeakPolarHBondContact O-CB 3.34Å; Y147-L151 PolarHBondContact O-N 2.73Å; F148-L151 HydrophobicContact CD1-CD2 4.36Å; F148-L151 CarbonylContact O-C 3.56Å; F148-L151 WeakPolarHBondContact O-CA 3.35Å; F148-L151 WeakPolarHBondContact O-CB 3.42Å; F148-L151 PolarHBondContact O-N 3.19Å; T149-L151 VanDerWaalsContact C-N 3.28Å; T149-L151 PolarHBondContact O-N 3.31Å; L151-D153 PolarHBondContact O-N 2.89Å; L151-Y154 WeakPolarHBondContact O-CB 3.26Å; L151-Y154 PolarHBondContact O-N 2.91Å; L151-F155 HydrophobicContact CD1-CE1 4.19Å; L151-F155 HydrophobicContact CD2-CE1 4.14Å; L151-F155 HydrophobicContact CD2-CZ 4.46Å; L151-F155 HydrophobicContact CG-CE1 3.75Å; L151-F155 HydrophobicContact CG-CZ 4.4Å
152	F	98.9	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-31.4	-179.5	-65.6	-16.2	0	0	0	113	V89 V99 R117 E121 F131 F148 T149 Y154 F155	V89-F152 HydrophobicContact CG1-CZ 4.01Å; V89-F152 HydrophobicContact CG2-CE2 4.46Å; V99-F152 HydrophobicContact CG2-CE1 3.77Å; V99-F152 HydrophobicContact CG2-CZ 4.13Å; R117-F152 WeakPolarHBondContact CD-O 3.04Å; R117-F152 PolarHBondContact NE-O 3.37Å; E121-F152 HydrophobicContact CB-CB 3.92Å; E121-F152 HydrophobicContact CB-CD1 4.11Å; E121-F152 HydrophobicContact CB-CD2 3.74Å; E121-F152 HydrophobicContact CB-CE2 4.28Å; E121-F152 HydrophobicContact CB-CG 3.66Å; E121-F152 HydrophobicContact CG-CD1 3.8Å; E121-F152 HydrophobicContact CG-CD2 3.98Å; E121-F152 HydrophobicContact CG-CE1 3.92Å; E121-F152 HydrophobicContact CG-CE2 4.09Å; E121-F152 HydrophobicContact CG-CG 3.85Å; E121-F152 HydrophobicContact CG-CZ 4.05Å; E121-F152 WeakPolarHBondContact O-CB 3.46Å; F131-F152 HydrophobicContact CD1-CE2 4.42Å; F131-F152 AromaticContact CE1-CE2 3.98Å; F131-F152 HydrophobicContact CE1-CE2 3.98Å; F131-F152 AromaticContact CE1-CZ 3.92Å; F131-F152 HydrophobicContact CE1-CZ 3.92Å; F131-F152 HydrophobicContact CZ-CZ 4.39Å; F148-F152 HydrophobicContact CB-CE1 4.07Å; F148-F152 HydrophobicContact CB-CE2 4.3Å; F148-F152 HydrophobicContact CB-CZ 3.8Å; F148-F152 HydrophobicContact CD1-CE1 4.36Å; F148-F152 WeakPolarHBondContact O-CD1 3.34Å; F148-F152 WeakPolarHBondContact O-CG 3.37Å; F148-F152 PolarHBondContact O-N 2.75Å; T149-F152 HydrophobicContact CG2-CD2 4.06Å; T149-F152 HydrophobicContact CG2-CE2 4.16Å; T149-F152 PolarHBondContact O-N 3.04Å; F152-Y154 PolarHBondContact O-N 3.03Å; F152-Y154 VanDerWaalsContact O-N 3.12Å; F152-F155 HydrophobicContact CD1-CD2 4.34Å; F152-F155 HydrophobicContact CD1-CE1 4.42Å; F152-F155 AromaticContact CD1-CE2 3.71Å; F152-F155 HydrophobicContact CD1-CE2 3.71Å; F152-F155 AromaticContact CD1-CZ 3.79Å; F152-F155 HydrophobicContact CD1-CZ 3.79Å; F152-F155 HydrophobicContact CE1-CE2 4.14Å; F152-F155 HydrophobicContact CE1-CZ 4.16Å; F152-F155 WeakPolarHBondContact O-CB 3.31Å; F152-F155 PolarHBondContact O-N 2.76Å; F152-F155 VanDerWaalsContact O-N 3.1Å
153	D	98.9	Very high	98.8	Very high	17 Å²	17	22.7 Å²	22.7	9%	0.091	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.2	174.5	-60.6	-23.1	0	0	0	113.1	R117 R123 L151 R187 L188 Q189	R117-D153 IonicContact CZ-OD1 2.7Å; R117-D153 IonicContact NH1-OD1 3.45Å; R117-D153 IonicContact NH2-OD1 2.61Å; R117-D153 PolarHBondContact NH2-OD1 3.31Å; R123-D153 IonicContact CZ-OD1 2.87Å; R123-D153 IonicContact CZ-OD2 3.12Å; R123-D153 VanDerWaalsContact CZ-OD2 3.29Å; R123-D153 IonicContact NH1-OD1 3.18Å; R123-D153 PolarHBondContact NH1-OD1 3.03Å; R123-D153 IonicContact NH1-OD2 3.92Å; R123-D153 PolarHBondContact NH1-OD2 2.89Å; R123-D153 IonicContact NH2-OD2 2.8Å; R123-D153 PolarHBondContact NH2-OD2 3.02Å; L151-D153 PolarHBondContact O-N 2.89Å; D153-R187 VanDerWaalsContact O-O 3.05Å; D153-L188 WeakPolarHBondContact O-CD2 3.2Å; D153-Q189 VanDerWaalsContact OD1-O 3.08Å
154	Y	98.9	Very high	98.7	Very high	67 Å²	67	24.1 Å²	24.1	26%	0.263	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.2	179.5	-69.4	-102.1	0	0	0	113.8	K38 D150 L151 F152 R187 L188	K38-Y154 HydrophobicContact CB-CD1 4.33Å; K38-Y154 HydrophobicContact CB-CD2 4.45Å; K38-Y154 HydrophobicContact CB-CE1 4.34Å; K38-Y154 HydrophobicContact CB-CE2 4.45Å; K38-Y154 HydrophobicContact CB-CG 4.39Å; K38-Y154 HydrophobicContact CD-CD2 4.18Å; K38-Y154 HydrophobicContact CD-CE2 3.82Å; K38-Y154 HydrophobicContact CG-CD1 4.47Å; K38-Y154 HydrophobicContact CG-CD2 3.74Å; K38-Y154 HydrophobicContact CG-CE2 3.84Å; K38-Y154 HydrophobicContact CG-CG 4.07Å; D150-Y154 WeakPolarHBondContact O-CD2 3.42Å; D150-Y154 WeakPolarHBondContact O-CE2 2.87Å; L151-Y154 WeakPolarHBondContact O-CB 3.26Å; L151-Y154 PolarHBondContact O-N 2.91Å; F152-Y154 PolarHBondContact O-N 3.03Å; F152-Y154 VanDerWaalsContact O-N 3.12Å; Y154-R187 PolarHBondContact O-NE 3.06Å; Y154-R187 PolarHBondContact O-NH2 3.2Å; Y154-L188 HydrophobicContact CD1-CD2 3.62Å; Y154-L188 HydrophobicContact CD2-CD2 4.31Å; Y154-L188 HydrophobicContact CE1-CD1 4.49Å; Y154-L188 HydrophobicContact CE1-CD2 3.88Å; Y154-L188 HydrophobicContact CG-CD2 3.86Å
155	F	98.9	Very high	98.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-65.2	128.6	-176.4	-75	10.7	0	0	0	110.6	L41 Y88 V103 I115 R117 E121 L151 F152 R187	L41-F155 HydrophobicContact CD1-CD1 3.69Å; L41-F155 HydrophobicContact CD1-CE1 3.71Å; Y88-F155 AromaticContact CD2-CE2 3.86Å; Y88-F155 HydrophobicContact CD2-CE2 3.86Å; Y88-F155 AromaticContact CE2-CD2 4Å; Y88-F155 HydrophobicContact CE2-CD2 4Å; Y88-F155 AromaticContact CE2-CE2 3.51Å; Y88-F155 HydrophobicContact CE2-CE2 3.51Å; Y88-F155 HydrophobicContact CE2-CZ 4.45Å; V103-F155 HydrophobicContact CG2-CZ 4.12Å; I115-F155 HydrophobicContact CD1-CD1 4.39Å; I115-F155 HydrophobicContact CD1-CE1 3.75Å; I115-F155 HydrophobicContact CD1-CE2 4.35Å; I115-F155 HydrophobicContact CD1-CZ 3.73Å; I115-F155 HydrophobicContact CG1-CE1 4.46Å; R117-F155 HydrophobicContact CB-CB 3.73Å; R117-F155 HydrophobicContact CG-CB 4.14Å; E121-F155 HydrophobicContact CG-CD2 4.24Å; E121-F155 HydrophobicContact CG-CE2 4.07Å; L151-F155 HydrophobicContact CD1-CE1 4.19Å; L151-F155 HydrophobicContact CD2-CE1 4.14Å; L151-F155 HydrophobicContact CD2-CZ 4.46Å; L151-F155 HydrophobicContact CG-CE1 3.75Å; L151-F155 HydrophobicContact CG-CZ 4.4Å; F152-F155 HydrophobicContact CD1-CD2 4.34Å; F152-F155 HydrophobicContact CD1-CE1 4.42Å; F152-F155 AromaticContact CD1-CE2 3.71Å; F152-F155 HydrophobicContact CD1-CE2 3.71Å; F152-F155 AromaticContact CD1-CZ 3.79Å; F152-F155 HydrophobicContact CD1-CZ 3.79Å; F152-F155 HydrophobicContact CE1-CE2 4.14Å; F152-F155 HydrophobicContact CE1-CZ 4.16Å; F152-F155 WeakPolarHBondContact O-CB 3.31Å; F152-F155 PolarHBondContact O-N 2.76Å; F152-F155 VanDerWaalsContact O-N 3.1Å; F155-R187 WeakPolarHBondContact O-CD 3.4Å; F155-R187 PolarHBondContact O-NE 3.07Å
156	P	98.9	Very high	98.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.			trans	-49.6	144.1	170.7	-29.8	36.4	0	0	0	112.4	E44 S45 Q48 L116 R117	E44-P156 HydrophobicContact CB-CG 3.93Å; S45-P156 WeakPolarHBondContact O-CB 3.16Å; Q48-P156 HydrophobicContact CB-CB 4.09Å; Q48-P156 HydrophobicContact CB-CG 4.28Å; L116-P156 CarbonylContact C-O 3.44Å; L116-P156 WeakPolarHBondContact CA-O 3.33Å; L116-P156 HydrophobicContact CD2-CB 3.88Å; R117-P156 PolarHBondContact N-O 3.43Å
157	L	98.9	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-79.1	-36.4	-179.9	-61	-179.6	0	0	0	111.4	N46 L185 R187 M197 L200	N46-L157 PolarHBondContact O-N 3.48Å; L157-L185 HydrophobicContact CD1-CB 4.29Å; L157-L185 HydrophobicContact CD1-CD1 3.82Å; L157-R187 HydrophobicContact CD1-CB 4.06Å; L157-R187 HydrophobicContact CD2-CB 4.17Å; L157-R187 HydrophobicContact CG-CB 4Å; L157-M197 HydrophobicContact CD1-CG 4.11Å; L157-M197 HydrophobicContact CD2-CE 4.07Å; L157-M197 HydrophobicContact CD2-CG 4.06Å; L157-L200 HydrophobicContact CB-CD1 4.34Å; L157-L200 HydrophobicContact CD1-CD1 4.13Å
158	T	99	Very high	98.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.1	-174.9	78.4	0	0	0	0	110.2	N46 V47 Q48 F166 C167 L168 V182 L200	N46-T158 CarbonylContact O-C 3.48Å; N46-T158 PolarHBondContact O-N 3.25Å; N46-T158 PolarHBondContact O-OG1 2.82Å; N46-T158 VanDerWaalsContact O-OG1 3.07Å; V47-T158 WeakPolarHBondContact CA-OG1 3.43Å; Q48-T158 PolarHBondContact N-O 2.94Å; T158-F166 HydrophobicContact CG2-CE2 3.91Å; T158-F166 HydrophobicContact CG2-CZ 3.67Å; T158-F166 VanDerWaalsContact OG1-CE2 3.29Å; T158-F166 WeakPolarHBondContact OG1-CE2 3.5Å; T158-C167 CarbonylContact C-O 3.47Å; T158-C167 VanDerWaalsContact CA-O 3.23Å; T158-C167 WeakPolarHBondContact CA-O 3.46Å; T158-C167 WeakPolarHBondContact CB-O 3.43Å; T158-L168 HydrophobicContact CG2-CB 3.79Å; T158-V182 HydrophobicContact CG2-CG1 3.87Å; T158-L200 HydrophobicContact CG2-CD1 4.31Å; T158-L200 HydrophobicContact CG2-CD2 4.14Å
159	A	98.9	Very high	98.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.5	169.4	0	0	0	0	0	111.1	Q48 V50 L83 L116 C167	Q48-A159 HydrophobicContact CB-CB 4.46Å; Q48-A159 CarbonylContact O-C 3.51Å; Q48-A159 WeakPolarHBondContact O-CA 3.32Å; Q48-A159 VanDerWaalsContact O-CB 3.3Å; Q48-A159 WeakPolarHBondContact O-CB 3.27Å; V50-A159 HydrophobicContact CG2-CB 3.98Å; L83-A159 HydrophobicContact CD1-CB 3.75Å; L83-A159 HydrophobicContact CG-CB 4.34Å; L116-A159 HydrophobicContact CD1-CB 4.16Å; L116-A159 HydrophobicContact CD2-CB 4.02Å; A159-C167 HydrophobicContact CB-CB 4.26Å; A159-C167 PolarHBondContact N-O 3.03Å; A159-C167 PolarHBondContact O-N 2.91Å
160	L	98.9	Very high	98.8	Very high	9 Å²	9	15.7 Å²	15.7	5%	0.047	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	110.3	174.9	-174.7	64.9	0	0	0	108.4	V47 Q48 V50 L179 L236	V47-L160 HydrophobicContact CG1-CB 3.79Å; Q48-L160 PolarHBondContact O-N 3.12Å; V50-L160 PolarHBondContact N-O 2.93Å; L160-L179 HydrophobicContact CD1-CD1 4.24Å; L160-L179 HydrophobicContact CD2-CD1 3.84Å; L160-L236 HydrophobicContact CD1-CD2 3.5Å
161	V	98.8	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	116.8	180	-171.1	0	0	0	0	109.2	V50 C52 V54 L83 G163 Q164 I165 L280	V50-V161 HydrophobicContact CB-CG2 4.18Å; V50-V161 HydrophobicContact CG1-CG2 4.33Å; V50-V161 CarbonylContact O-C 3.58Å; V50-V161 VanDerWaalsContact O-CA 3.3Å; V50-V161 WeakPolarHBondContact O-CA 3.45Å; C52-V161 VanDerWaalsContact SG-CG1 3.6Å; V54-V161 HydrophobicContact CG1-CG1 3.78Å; V54-V161 HydrophobicContact CG1-CG2 4.31Å; L83-V161 HydrophobicContact CD1-CG2 3.76Å; V161-G163 PolarHBondContact O-N 2.84Å; V161-Q164 PolarHBondContact O-N 3.44Å; V161-I165 HydrophobicContact CB-CB 4.23Å; V161-I165 PolarHBondContact N-O 2.71Å; V161-I165 PolarHBondContact O-N 3.23Å; V161-I165 VanDerWaalsContact O-N 3.14Å; V161-L280 HydrophobicContact CB-CD1 4.36Å; V161-L280 HydrophobicContact CG1-CD1 3.94Å; V161-L280 HydrophobicContact CG2-CD1 4.39Å
162	D	97.9	Very high	98.8	Very high	66 Å²	66	14.2 Å²	14.2	35%	0.353	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	38.5	-178.7	-77.1	-22	0	0	0	114	V50 R51 C52 Q164 L284	V50-D162 PolarHBondContact O-N 2.99Å; R51-D162 WeakPolarHBondContact CA-OD1 3.17Å; C52-D162 VanDerWaalsContact CB-OD2 3.26Å; C52-D162 WeakPolarHBondContact CB-OD2 3.41Å; C52-D162 PolarHBondContact N-OD2 2.74Å; C52-D162 VanDerWaalsContact N-OD2 3.16Å; D162-Q164 PolarHBondContact O-N 3.27Å; D162-Q164 VanDerWaalsContact O-N 3.15Å; D162-L284 HydrophobicContact CB-CD1 3.62Å
163	G	97.9	Very high	98.8	Very high	36 Å²	36	14.3 Å²	14.3	37%	0.371	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	3	177.7	0	0	0	0	0	115.5	V161	V161-G163 PolarHBondContact O-N 2.84Å
164	Q	98.2	Very high	98.7	Very high	95 Å²	95	15.7 Å²	15.7	44%	0.444	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-37.9	-167.6	-75.3	-169.3	57.6	0	0	114.6	V161 D162 L236 S237 L284	V161-Q164 PolarHBondContact O-N 3.44Å; D162-Q164 PolarHBondContact O-N 3.27Å; D162-Q164 VanDerWaalsContact O-N 3.15Å; Q164-L236 CarbonylContact O-C 3.48Å; Q164-L236 VanDerWaalsContact O-CA 3.31Å; Q164-L236 WeakPolarHBondContact O-CA 3.47Å; Q164-L236 WeakPolarHBondContact O-CB 3.22Å; Q164-S237 PolarHBondContact O-N 3.28Å; Q164-S237 PolarHBondContact O-OG 3.18Å; Q164-L284 HydrophobicContact CB-CD2 3.67Å; Q164-L284 HydrophobicContact CG-CD2 4.34Å
165	I	98.8	Very high	98.7	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.015	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.5	-179	-57.2	176.8	0	0	0	108.7	V161 L238 L280 L284	V161-I165 HydrophobicContact CB-CB 4.23Å; V161-I165 PolarHBondContact N-O 2.71Å; V161-I165 PolarHBondContact O-N 3.23Å; V161-I165 VanDerWaalsContact O-N 3.14Å; I165-L238 WeakPolarHBondContact CA-O 3.05Å; I165-L238 HydrophobicContact CD1-CD2 4.35Å; I165-L238 HydrophobicContact CG1-CB 4.16Å; I165-L238 HydrophobicContact CG2-CB 4.15Å; I165-L238 HydrophobicContact CG2-CD2 4.06Å; I165-L238 HydrophobicContact CG2-CG 4.14Å; I165-L280 HydrophobicContact CD1-CD1 3.7Å; I165-L280 HydrophobicContact CD1-CD2 3.62Å; I165-L280 HydrophobicContact CD1-CG 4.33Å; I165-L284 HydrophobicContact CD1-CD2 3.88Å; I165-L284 HydrophobicContact CD1-CG 4.01Å; I165-L284 HydrophobicContact CG1-CD2 3.93Å
166	F	98.9	Very high	98.7	Very high	1 Å²	1	16 Å²	16	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.1	178.6	-177.9	-123.2	0	0	0	110	T158 L168 L172 L179 V182 F230 L236 L238 I239 S240	T158-F166 HydrophobicContact CG2-CE2 3.91Å; T158-F166 HydrophobicContact CG2-CZ 3.67Å; T158-F166 VanDerWaalsContact OG1-CE2 3.29Å; T158-F166 WeakPolarHBondContact OG1-CE2 3.5Å; F166-L168 HydrophobicContact CD1-CD1 4.5Å; F166-L168 HydrophobicContact CD1-CD2 4.09Å; F166-L168 HydrophobicContact CE1-CD1 3.75Å; F166-L168 HydrophobicContact CE1-CD2 4.14Å; F166-L168 HydrophobicContact CE1-CG 4.43Å; F166-L168 HydrophobicContact CZ-CD1 4.3Å; F166-L172 HydrophobicContact CE1-CD2 4.42Å; F166-L179 HydrophobicContact CD2-CD2 3.53Å; F166-L179 HydrophobicContact CE2-CD2 3.41Å; F166-L179 VanDerWaalsContact CE2-CD2 3.41Å; F166-L179 HydrophobicContact CG-CD2 4.19Å; F166-L179 HydrophobicContact CZ-CD2 3.98Å; F166-V182 HydrophobicContact CZ-CG2 4.33Å; F166-F230 AromaticContact CD1-CE1 3.89Å; F166-F230 HydrophobicContact CD1-CE1 3.89Å; F166-F230 AromaticContact CE1-CE1 3.92Å; F166-F230 HydrophobicContact CE1-CE1 3.92Å; F166-F230 HydrophobicContact CE1-CZ 4.12Å; F166-L236 HydrophobicContact CB-CD1 3.58Å; F166-L236 HydrophobicContact CB-CD2 4.09Å; F166-L236 HydrophobicContact CB-CG 4.4Å; F166-L236 HydrophobicContact CD1-CD1 4.48Å; F166-L236 HydrophobicContact CG-CD1 4.15Å; F166-L238 PolarHBondContact N-O 2.86Å; F166-I239 HydrophobicContact CD1-CG1 4.37Å; F166-I239 CarbonylContact O-C 3.57Å; F166-I239 WeakPolarHBondContact O-CA 3.41Å; F166-S240 PolarHBondContact O-N 3.37Å
167	C	99	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.2	-177.2	-58.4	0	0	0	0	110.9	L83 M85 L116 T158 A159 S240	L83-C167 HydrophobicContact CD1-CB 3.85Å; L83-C167 HydrophobicContact CD2-CB 4.1Å; M85-C167 HydrophobicContact SD-CB 4.38Å; L116-C167 HydrophobicContact CD1-CB 4.44Å; T158-C167 CarbonylContact C-O 3.47Å; T158-C167 VanDerWaalsContact CA-O 3.23Å; T158-C167 WeakPolarHBondContact CA-O 3.46Å; T158-C167 WeakPolarHBondContact CB-O 3.43Å; A159-C167 HydrophobicContact CB-CB 4.26Å; A159-C167 PolarHBondContact N-O 3.03Å; A159-C167 PolarHBondContact O-N 2.91Å; C167-S240 VanDerWaalsContact CA-O 3.25Å; C167-S240 WeakPolarHBondContact CA-O 3.42Å
168	L	98.9	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	164.3	178.3	71.8	177.6	0	0	0	110.7	T158 F166 G171 L200 I239 S240 R241	T158-L168 HydrophobicContact CG2-CB 3.79Å; F166-L168 HydrophobicContact CD1-CD1 4.5Å; F166-L168 HydrophobicContact CD1-CD2 4.09Å; F166-L168 HydrophobicContact CE1-CD1 3.75Å; F166-L168 HydrophobicContact CE1-CD2 4.14Å; F166-L168 HydrophobicContact CE1-CG 4.43Å; F166-L168 HydrophobicContact CZ-CD1 4.3Å; L168-G171 VanDerWaalsContact CD1-O 3.24Å; L168-G171 WeakPolarHBondContact CD1-O 3.25Å; L168-L200 HydrophobicContact CD1-CD2 3.7Å; L168-I239 HydrophobicContact CD2-CG2 3.59Å; L168-S240 PolarHBondContact N-O 3.48Å; L168-S240 VanDerWaalsContact N-O 3.09Å; L168-R241 HydrophobicContact CD2-CB 4Å; L168-R241 WeakPolarHBondContact O-CA 3.36Å; L168-R241 WeakPolarHBondContact O-CB 3.39Å
169	H	98.9	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-70.8	-63	-179.3	-170.5	58.5	0	0	0	112.9	D59 M85 D87 R117 G118 N119 L201 R241 A242 H243	D59-H169 IonicContact OD1-CE1 2.83Å; D59-H169 PolarHBondContact OD1-CE1 3.1Å; M85-H169 VanDerWaalsContact O-CB 3.25Å; M85-H169 WeakPolarHBondContact O-CB 3.47Å; M85-H169 PolarHBondContact O-ND1 2.75Å; D87-H169 IonicContact OD1-CD2 2.9Å; D87-H169 IonicContact OD1-CE1 3.92Å; D87-H169 IonicContact OD1-NE2 3.2Å; D87-H169 PolarHBondContact OD1-NE2 3.04Å; D87-H169 VanDerWaalsContact OD1-NE2 3.12Å; D87-H169 IonicContact OD2-CE1 3.32Å; D87-H169 PolarHBondContact OD2-CE1 2.83Å; D87-H169 IonicContact OD2-NE2 2.68Å; D87-H169 PolarHBondContact OD2-NE2 3.16Å; R117-H169 WeakPolarHBondContact O-CB 3.43Å; G118-H169 VanDerWaalsContact CA-CD2 3.46Å; G118-H169 WeakPolarHBondContact CA-CD2 3.34Å; G118-H169 VanDerWaalsContact CA-CG 3.49Å; N119-H169 PolarHBondContact N-CD2 2.89Å; N119-H169 PolarHBondContact OD1-CD2 3.18Å; N119-H169 VanDerWaalsContact OD1-CD2 3.3Å; N119-H169 PolarHBondContact OD1-NE2 3.04Å; H169-L201 HydrophobicContact CB-CD2 4.15Å; H169-L201 PolarHBondContact CD2-O 3.34Å; H169-R241 PolarHBondContact O-NE 3.44Å; H169-A242 CarbonylContact O-C 3.49Å; H169-A242 PolarHBondContact O-N 3.12Å; H169-H243 AromaticContact CD2-ND1 3.89Å; H169-H243 AromaticContact NE2-CG 3.87Å; H169-H243 AromaticContact NE2-ND1 3.45Å; H169-H243 PolarHBondContact NE2-ND1 2.93Å; H169-H243 WeakPolarHBondContact O-CB 3.23Å
170	G	98.8	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-84.8	-98.8	-174.8	0	0	0	0	0	111.1	L200 S203 R241	G170-L200 WeakPolarHBondContact CA-O 3.43Å; G170-L200 PolarHBondContact N-O 3.39Å; G170-S203 CarbonylContact C-O 3.56Å; G170-R241 WeakPolarHBondContact O-CB 3.41Å; G170-R241 PolarHBondContact O-NE 3.29Å; G170-R241 PolarHBondContact O-NH2 3.49Å
171	G	98.8	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.			trans	-173.6	-159.9	-172.7	0	0	0	0	0	113.3	L168 L200 S203	L168-G171 VanDerWaalsContact CD1-O 3.24Å; L168-G171 WeakPolarHBondContact CD1-O 3.25Å; G171-L200 PolarHBondContact N-O 2.93Å; G171-L200 WeakPolarHBondContact O-CA 3.14Å; G171-S203 PolarHBondContact N-O 3.49Å
172	L	98.8	Very high	98.6	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	18%	0.182	C	C	.	.			trans	-75.2	160.6	-174.9	-55.8	-178.5	0	0	0	111.9	F166 S203 W211 F222 I226 F230 I239	F166-L172 HydrophobicContact CE1-CD2 4.42Å; L172-S203 WeakPolarHBondContact O-CB 3.38Å; L172-S203 PolarHBondContact O-OG 3.02Å; L172-W211 HydrophobicContact CB-CH2 3.62Å; L172-W211 HydrophobicContact CB-CZ3 4.12Å; L172-F222 HydrophobicContact CB-CD1 4.34Å; L172-F222 HydrophobicContact CB-CD2 4.47Å; L172-F222 HydrophobicContact CB-CG 4.28Å; L172-F222 HydrophobicContact CD1-CD2 4.04Å; L172-F222 HydrophobicContact CD1-CE2 4.2Å; L172-F222 HydrophobicContact CG-CD2 4.26Å; L172-F222 HydrophobicContact CG-CE2 4.16Å; L172-F222 HydrophobicContact CG-CZ 4.39Å; L172-I226 HydrophobicContact CD1-CG2 3.95Å; L172-F230 HydrophobicContact CD1-CB 3.75Å; L172-F230 HydrophobicContact CD1-CD1 4.38Å; L172-F230 HydrophobicContact CD1-CG 4Å; L172-F230 HydrophobicContact CD2-CD1 3.71Å; L172-F230 HydrophobicContact CD2-CD2 4.21Å; L172-F230 HydrophobicContact CD2-CE1 3.87Å; L172-F230 HydrophobicContact CD2-CE2 4.35Å; L172-F230 HydrophobicContact CD2-CG 3.89Å; L172-F230 HydrophobicContact CD2-CZ 4.19Å; L172-I239 HydrophobicContact CD1-CD1 3.8Å; L172-I239 HydrophobicContact CD2-CD1 3.87Å; L172-I239 HydrophobicContact CG-CD1 4.09Å
173	S	98.8	Very high	98.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	18%	0.182	C	C	.	.			trans	-122.6	139.3	176.2	175.1	0	0	0	0	110.2	S175 I176 D199 W211	S173-S175 PolarHBondContact O-N 2.77Å; S173-S175 VanDerWaalsContact O-N 3.09Å; S173-S175 WeakPolarHBondContact OG-CB 3.48Å; S173-S175 PolarHBondContact OG-N 3.23Å; S173-I176 PolarHBondContact O-N 2.89Å; S173-I176 VanDerWaalsContact O-N 3.12Å; S173-D199 VanDerWaalsContact CB-CB 3.45Å; S173-D199 WeakPolarHBondContact CB-OD2 3.38Å; S173-D199 PolarHBondContact OG-OD2 3.11Å; S173-W211 WeakPolarHBondContact O-CH2 3.36Å
174	P	98.5	Very high	98.7	Very high	47 Å²	47	35.9 Å²	35.9	31%	0.305	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8	170.2	28.3	-34.7	0	0	0	113.2	W211 Y220	P174-W211 HydrophobicContact CB-CD2 3.97Å; P174-W211 HydrophobicContact CB-CE3 4.42Å; P174-W211 HydrophobicContact CB-CG 4.31Å; P174-W211 HydrophobicContact CB-CZ2 4.09Å; P174-W211 HydrophobicContact CG-CD2 4.49Å; P174-W211 VanDerWaalsContact N-CH2 3.33Å; P174-Y220 VanDerWaalsContact CD-CD2 3.48Å; P174-Y220 HydrophobicContact CG-CD1 4.27Å; P174-Y220 HydrophobicContact CG-CD2 3.73Å; P174-Y220 HydrophobicContact CG-CE1 4.12Å; P174-Y220 HydrophobicContact CG-CE2 3.57Å; P174-Y220 HydrophobicContact CG-CG 4.09Å
175	S	98.2	Very high	98.7	Very high	69 Å²	69	33.1 Å²	33.1	48%	0.483	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1.1	176.7	-54.3	0	0	0	0	113.3	S173	S173-S175 PolarHBondContact O-N 2.77Å; S173-S175 VanDerWaalsContact O-N 3.09Å; S173-S175 WeakPolarHBondContact OG-CB 3.48Å; S173-S175 PolarHBondContact OG-N 3.23Å
176	I	98.6	Very high	98.7	Very high	5 Å²	5	38 Å²	38	3%	0.026	21%	0.211	C	C	.	.			trans	-129.2	100.2	-174.4	-58.3	177.6	0	0	0	109.1	S173 T178 H181 V182 L185 P196 L200 F230	S173-I176 PolarHBondContact O-N 2.89Å; S173-I176 VanDerWaalsContact O-N 3.12Å; I176-T178 WeakPolarHBondContact CG2-O 3.15Å; I176-H181 HydrophobicContact CG2-CB 4.06Å; I176-V182 HydrophobicContact CD1-CG2 4.21Å; I176-V182 HydrophobicContact CG2-CG2 3.52Å; I176-L185 HydrophobicContact CD1-CD1 4.38Å; I176-P196 HydrophobicContact CD1-CB 3.68Å; I176-P196 HydrophobicContact CG1-CB 3.74Å; I176-L200 HydrophobicContact CD1-CD1 3.66Å; I176-L200 HydrophobicContact CD1-CD2 3.79Å; I176-L200 HydrophobicContact CD1-CG 3.62Å; I176-F230 HydrophobicContact CG2-CE2 4.19Å; I176-F230 WeakPolarHBondContact O-CE2 3.21Å
177	D	98.3	Very high	98.7	Very high	106 Å²	106	38.7 Å²	38.7	57%	0.567	21%	0.213	S	C	*	.	S	Bend	trans	-89.5	-28.4	174.5	-53.6	-51.4	0	0	0	112.5	H181 N234	D177-H181 PolarHBondContact N-ND1 3.14Å; D177-H181 IonicContact OD2-CE1 3.51Å; D177-N234 PolarHBondContact O-ND2 2.99Å
178	T	98.6	Very high	98.7	Very high	45 Å²	45	43 Å²	43	28%	0.276	24%	0.235	S	C	.	.	S	Bend	trans	-131.4	155.8	-173.8	68	0	0	0	0	113	I176 D180 H181 N234	I176-T178 WeakPolarHBondContact CG2-O 3.15Å; T178-D180 PolarHBondContact O-N 3.37Å; T178-H181 WeakPolarHBondContact O-CB 3.37Å; T178-H181 PolarHBondContact O-N 2.82Å; T178-H181 PolarHBondContact OG1-CD2 3.04Å; T178-H181 VanDerWaalsContact OG1-CD2 3.27Å; T178-H181 PolarHBondContact OG1-N 3.32Å; T178-N234 WeakPolarHBondContact CA-OD1 3.45Å
179	L	98.8	Very high	98.6	Very high	13 Å²	13	47 Å²	47	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-57.2	-28.7	171	-62.2	-179	0	0	0	112.5	L160 F166 H181 V182 R183 F230 N234 L236	L160-L179 HydrophobicContact CD1-CD1 4.24Å; L160-L179 HydrophobicContact CD2-CD1 3.84Å; F166-L179 HydrophobicContact CD2-CD2 3.53Å; F166-L179 HydrophobicContact CE2-CD2 3.41Å; F166-L179 VanDerWaalsContact CE2-CD2 3.41Å; F166-L179 HydrophobicContact CG-CD2 4.19Å; F166-L179 HydrophobicContact CZ-CD2 3.98Å; L179-H181 VanDerWaalsContact C-N 3.33Å; L179-H181 PolarHBondContact O-N 2.92Å; L179-V182 WeakPolarHBondContact O-CB 3.38Å; L179-V182 PolarHBondContact O-N 3.4Å; L179-R183 WeakPolarHBondContact O-CG 3.33Å; L179-R183 PolarHBondContact O-N 2.79Å; L179-F230 HydrophobicContact CD2-CE1 4.5Å; L179-F230 HydrophobicContact CD2-CZ 4.3Å; L179-N234 HydrophobicContact CG-CB 4.22Å; L179-N234 PolarHBondContact N-OD1 3.38Å; L179-L236 HydrophobicContact CD1-CD2 4.37Å
180	D	98.7	Very high	98.6	Very high	103 Å²	103	49 Å²	49	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-68.3	-31.2	176.7	-71.9	-25.8	0	0	0	112.7	T178 V182 R183 S184	T178-D180 PolarHBondContact O-N 3.37Å; D180-V182 VanDerWaalsContact C-N 3.31Å; D180-V182 PolarHBondContact O-N 2.83Å; D180-R183 PolarHBondContact O-N 3.01Å; D180-R183 IonicContact OD1-CZ 2.84Å; D180-R183 IonicContact OD1-NH1 3.32Å; D180-R183 PolarHBondContact OD1-NH1 2.96Å; D180-S184 PolarHBondContact O-N 2.63Å; D180-S184 VanDerWaalsContact O-N 3.09Å
181	H	98.7	Very high	98.6	Very high	71 Å²	71	49.4 Å²	49.4	33%	0.329	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-42.3	172	-64.8	179.4	0	0	0	110.3	I176 D177 T178 L179 S184	I176-H181 HydrophobicContact CG2-CB 4.06Å; D177-H181 PolarHBondContact N-ND1 3.14Å; D177-H181 IonicContact OD2-CE1 3.51Å; T178-H181 WeakPolarHBondContact O-CB 3.37Å; T178-H181 PolarHBondContact O-N 2.82Å; T178-H181 PolarHBondContact OG1-CD2 3.04Å; T178-H181 VanDerWaalsContact OG1-CD2 3.27Å; T178-H181 PolarHBondContact OG1-N 3.32Å; L179-H181 VanDerWaalsContact C-N 3.33Å; L179-H181 PolarHBondContact O-N 2.92Å; H181-S184 PolarHBondContact O-N 2.91Å; H181-S184 PolarHBondContact O-OG 3.39Å
182	V	98.8	Very high	98.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-46.3	175	-172.6	0	0	0	0	111.1	N46 V47 T158 F166 I176 L179 D180 S184 L185 L200	N46-V182 HydrophobicContact CB-CG1 4.19Å; N46-V182 WeakPolarHBondContact CB-O 3.48Å; N46-V182 PolarHBondContact ND2-O 2.89Å; V47-V182 HydrophobicContact CG2-CB 3.6Å; V47-V182 HydrophobicContact CG2-CG1 3.61Å; V47-V182 HydrophobicContact CG2-CG2 4.48Å; T158-V182 HydrophobicContact CG2-CG1 3.87Å; F166-V182 HydrophobicContact CZ-CG2 4.33Å; I176-V182 HydrophobicContact CD1-CG2 4.21Å; I176-V182 HydrophobicContact CG2-CG2 3.52Å; L179-V182 WeakPolarHBondContact O-CB 3.38Å; L179-V182 PolarHBondContact O-N 3.4Å; D180-V182 VanDerWaalsContact C-N 3.31Å; D180-V182 PolarHBondContact O-N 2.83Å; V182-S184 PolarHBondContact O-N 3.08Å; V182-L185 PolarHBondContact O-N 3.48Å; V182-L200 HydrophobicContact CG1-CD1 3.96Å; V182-L200 HydrophobicContact CG2-CD1 4.48Å
183	R	98.6	Very high	98.5	Very high	95 Å²	95	57.8 Å²	57.8	36%	0.358	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-30	177.8	-69	179.7	-176.3	107.9	4.2	112.9	V47 E49 L179 D180	V47-R183 HydrophobicContact CB-CG 4.01Å; V47-R183 HydrophobicContact CG2-CG 3.68Å; E49-R183 IonicContact OE1-NH2 2.67Å; L179-R183 WeakPolarHBondContact O-CG 3.33Å; L179-R183 PolarHBondContact O-N 2.79Å; D180-R183 PolarHBondContact O-N 3.01Å; D180-R183 IonicContact OD1-CZ 2.84Å; D180-R183 IonicContact OD1-NH1 3.32Å; D180-R183 PolarHBondContact OD1-NH1 2.96Å
184	S	98.4	Very high	98.4	Very high	95 Å²	95	65.5 Å²	65.5	66%	0.664	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.6	-177.7	76	0	0	0	0	115.3	D180 H181 V182	D180-S184 PolarHBondContact O-N 2.63Å; D180-S184 VanDerWaalsContact O-N 3.09Å; H181-S184 PolarHBondContact O-N 2.91Å; H181-S184 PolarHBondContact O-OG 3.39Å; V182-S184 PolarHBondContact O-N 3.08Å
185	L	98.7	Very high	98.4	Very high	36 Å²	36	64.4 Å²	64.4	19%	0.188	34%	0.342	C	S	.	.	S	Bend	trans	-65.6	140.8	-179.2	-62	177.1	0	0	0	111.8	N46 L157 I176 V182 R187 P196 L200	N46-L185 PolarHBondContact ND2-O 2.93Å; L157-L185 HydrophobicContact CD1-CB 4.29Å; L157-L185 HydrophobicContact CD1-CD1 3.82Å; I176-L185 HydrophobicContact CD1-CD1 4.38Å; V182-L185 PolarHBondContact O-N 3.48Å; L185-R187 PolarHBondContact O-N 2.96Å; L185-P196 HydrophobicContact CD1-CB 4.21Å; L185-P196 HydrophobicContact CD2-CB 3.91Å; L185-P196 HydrophobicContact CD2-CG 3.57Å; L185-L200 HydrophobicContact CD1-CD1 3.75Å
186	D	98.5	Very high	98.4	Very high	106 Å²	106	63 Å²	63	57%	0.567	33%	0.331	S	S	*	.			trans	-82.9	99.9	165.4	-176.6	6.7	0	0	0	109.1	L188 Q189	D186-L188 PolarHBondContact OD1-N 3.15Å; D186-Q189 PolarHBondContact O-NE2 3.43Å
187	R	98.7	Very high	98.4	Very high	15 Å²	15	63.2 Å²	63.2	6%	0.057	33%	0.332	C	S	.	.			trans	-82.7	-15.3	-178.9	74.6	164.5	-175	-93.8	4.9	114.3	L41 E44 S45 N46 D153 Y154 F155 L157 L185 Q189	L41-R187 PolarHBondContact O-NH2 3.23Å; E44-R187 VanDerWaalsContact O-CZ 3.31Å; E44-R187 PolarHBondContact O-NH1 2.82Å; E44-R187 PolarHBondContact O-NH2 2.98Å; S45-R187 VanDerWaalsContact C-NH1 3.31Å; N46-R187 WeakPolarHBondContact OD1-CD 3.1Å; N46-R187 VanDerWaalsContact OD1-CG 3.26Å; N46-R187 WeakPolarHBondContact OD1-CG 3.43Å; N46-R187 PolarHBondContact OD1-NH1 2.71Å; D153-R187 VanDerWaalsContact O-O 3.05Å; Y154-R187 PolarHBondContact O-NE 3.06Å; Y154-R187 PolarHBondContact O-NH2 3.2Å; F155-R187 WeakPolarHBondContact O-CD 3.4Å; F155-R187 PolarHBondContact O-NE 3.07Å; L157-R187 HydrophobicContact CD1-CB 4.06Å; L157-R187 HydrophobicContact CD2-CB 4.17Å; L157-R187 HydrophobicContact CG-CB 4Å; L185-R187 PolarHBondContact O-N 2.96Å; R187-Q189 PolarHBondContact O-N 2.89Å
188	L	98.6	Very high	98.5	Very high	90 Å²	90	58.2 Å²	58.2	47%	0.471	31%	0.305	S	S	.	.	S	Bend	trans	-78.9	53.3	-169.6	-63.3	-177.1	0	0	0	112.1	D153 Y154 D186	D153-L188 WeakPolarHBondContact O-CD2 3.2Å; Y154-L188 HydrophobicContact CD1-CD2 3.62Å; Y154-L188 HydrophobicContact CD2-CD2 4.31Å; Y154-L188 HydrophobicContact CE1-CD1 4.49Å; Y154-L188 HydrophobicContact CE1-CD2 3.88Å; Y154-L188 HydrophobicContact CG-CD2 3.86Å; D186-L188 PolarHBondContact OD1-N 3.15Å
189	Q	98.7	Very high	98.5	Very high	85 Å²	85	56.2 Å²	56.2	40%	0.397	29%	0.293	S	S	.	.	S	Bend	trans	-152.3	167.1	-178.2	59.9	-175.5	-53.9	0	0	110.1	R117 D153 D186 R187 M197	R117-Q189 PolarHBondContact NH1-O 3.42Å; D153-Q189 VanDerWaalsContact OD1-O 3.08Å; D186-Q189 PolarHBondContact O-NE2 3.43Å; R187-Q189 PolarHBondContact O-N 2.89Å; Q189-M197 HydrophobicContact CG-SD 4.24Å
190	E	98.6	Very high	98.5	Very high	42 Å²	42	55.7 Å²	55.7	20%	0.196	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-58.7	144.8	167.1	-178.4	59.6	-155.1	0	0	110.4	S122 R123 P192	S122-E190 WeakPolarHBondContact CA-OE1 2.92Å; S122-E190 VanDerWaalsContact CB-OE1 3.28Å; S122-E190 WeakPolarHBondContact CB-OE1 3.5Å; S122-E190 PolarHBondContact OG-OE1 2.96Å; R123-E190 WeakPolarHBondContact CB-OE2 3.17Å; R123-E190 WeakPolarHBondContact CD-OE2 3.47Å; R123-E190 VanDerWaalsContact CG-OE2 3.23Å; R123-E190 WeakPolarHBondContact CG-OE2 3.5Å; R123-E190 IonicContact CZ-OE2 2.8Å; R123-E190 PolarHBondContact N-OE1 3.18Å; R123-E190 PolarHBondContact N-OE2 3.09Å; R123-E190 VanDerWaalsContact N-OE2 3.12Å; R123-E190 IonicContact NH1-OE2 3.45Å; R123-E190 PolarHBondContact NH1-OE2 3.11Å; E190-P192 VanDerWaalsContact O-CD 3.24Å; E190-P192 WeakPolarHBondContact O-CD 3.29Å
191	V	98.5	Very high	98.5	Very high	8 Å²	8	50.8 Å²	50.8	5%	0.048	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-57.7	120.3	177.1	-176.1	0	0	0	0	109.8	M197 L201	V191-M197 HydrophobicContact CG2-CE 4.21Å; V191-L201 HydrophobicContact CB-CD1 4.5Å; V191-L201 HydrophobicContact CG1-CD1 3.94Å; V191-L201 HydrophobicContact CG2-CD1 3.67Å
192	P	98.3	Very high	98.5	Very high	42 Å²	42	49.3 Å²	49.3	27%	0.273	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-65.8	160.6	176.4	-21.8	34.3	0	0	0	112.4	E190 E194 C198	E190-P192 VanDerWaalsContact O-CD 3.24Å; E190-P192 WeakPolarHBondContact O-CD 3.29Å; P192-E194 VanDerWaalsContact C-N 3.29Å; P192-E194 WeakPolarHBondContact CB-O 2.95Å; P192-E194 PolarHBondContact O-N 2.94Å; P192-C198 WeakPolarHBondContact O-CB 3.5Å; P192-C198 PolarHBondContact O-SG 2.8Å
193	H	96.5	Very high	98.5	Very high	139 Å²	139	49.3 Å²	49.3	64%	0.644	26%	0.255	S	S	*	.	S	Bend	trans	-73.9	-18.9	174.8	-66.8	-70.1	0	0	0	114	Q124 C198	Q124-H193 PolarHBondContact NE2-CE1 3.36Å; Q124-H193 PolarHBondContact NE2-NE2 3.41Å; Q124-H193 PolarHBondContact OE1-CE1 3.27Å; Q124-H193 PolarHBondContact OE1-NE2 3.06Å; H193-C198 PolarHBondContact O-SG 3.35Å
194	E	97.7	Very high	98.5	Very high	164 Å²	164	45 Å²	45	77%	0.766	24%	0.24	S	C	*	.	S	Bend	trans	-151.1	166.2	179.9	64.2	180	-174.5	0	0	111	P192	P192-E194 VanDerWaalsContact C-N 3.29Å; P192-E194 WeakPolarHBondContact CB-O 2.95Å; P192-E194 PolarHBondContact O-N 2.94Å
195	G	98.2	Very high	98.5	Very high	24 Å²	24	41.2 Å²	41.2	25%	0.247	21%	0.213	C	C	.	.	S	Bend	trans	95.9	179.8	176.3	0	0	0	0	0	113.6	M197 C198 D199	G195-M197 VanDerWaalsContact C-N 3.33Å; G195-M197 PolarHBondContact O-N 2.66Å; G195-M197 VanDerWaalsContact O-N 3.17Å; G195-C198 WeakPolarHBondContact O-CA 3.38Å; G195-C198 VanDerWaalsContact O-CB 3.26Å; G195-C198 WeakPolarHBondContact O-CB 2.99Å; G195-C198 PolarHBondContact O-N 3.12Å; G195-D199 VanDerWaalsContact O-CG 3.23Å; G195-D199 PolarHBondContact O-N 3.45Å
196	P	98.6	Very high	98.5	Very high	39 Å²	39	41 Å²	41	25%	0.253	21%	0.212	S	C	.	.	H	α-helix	trans	-57.8	-39.6	-164.4	19.1	-32.8	0	0	0	114.3	I176 L185 D199 L200	I176-P196 HydrophobicContact CD1-CB 3.68Å; I176-P196 HydrophobicContact CG1-CB 3.74Å; L185-P196 HydrophobicContact CD1-CB 4.21Å; L185-P196 HydrophobicContact CD2-CB 3.91Å; L185-P196 HydrophobicContact CD2-CG 3.57Å; P196-D199 PolarHBondContact O-N 3.32Å; P196-L200 VanDerWaalsContact O-CG 3.29Å; P196-L200 WeakPolarHBondContact O-CG 3.43Å; P196-L200 PolarHBondContact O-N 3.27Å
197	M	98.8	Very high	98.3	Very high	9 Å²	9	43.7 Å²	43.7	4%	0.044	23%	0.226	C	C	.	.	H	α-helix	trans	-68.2	-37.4	177	-178.6	179.5	171.8	0	0	112.3	L157 Q189 V191 G195 L201	L157-M197 HydrophobicContact CD1-CG 4.11Å; L157-M197 HydrophobicContact CD2-CE 4.07Å; L157-M197 HydrophobicContact CD2-CG 4.06Å; Q189-M197 HydrophobicContact CG-SD 4.24Å; V191-M197 HydrophobicContact CG2-CE 4.21Å; G195-M197 VanDerWaalsContact C-N 3.33Å; G195-M197 PolarHBondContact O-N 2.66Å; G195-M197 VanDerWaalsContact O-N 3.17Å; M197-L201 WeakPolarHBondContact O-CG 3.45Å
198	C	98.7	Very high	98.2	Very high	1 Å²	1	50 Å²	50	1%	0.007	25%	0.25	C	C	.	.	H	α-helix	trans	-63.2	-49.7	174.4	-173	0	0	0	0	110	P192 H193 G195 L200 L201 W202	P192-C198 WeakPolarHBondContact O-CB 3.5Å; P192-C198 PolarHBondContact O-SG 2.8Å; H193-C198 PolarHBondContact O-SG 3.35Å; G195-C198 WeakPolarHBondContact O-CA 3.38Å; G195-C198 VanDerWaalsContact O-CB 3.26Å; G195-C198 WeakPolarHBondContact O-CB 2.99Å; G195-C198 PolarHBondContact O-N 3.12Å; C198-L200 PolarHBondContact O-N 2.95Å; C198-L201 CarbonylContact O-C 3.5Å; C198-L201 PolarHBondContact O-N 2.87Å; C198-W202 WeakPolarHBondContact O-CB 3.36Å; C198-W202 VanDerWaalsContact O-CD1 3.28Å; C198-W202 PolarHBondContact O-N 2.75Å
199	D	98.8	Very high	98.2	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-43.4	-177.3	-59.4	-21	0	0	0	112.4	S173 G195 P196 L201 W202 S203 Y220	S173-D199 VanDerWaalsContact CB-CB 3.45Å; S173-D199 WeakPolarHBondContact CB-OD2 3.38Å; S173-D199 PolarHBondContact OG-OD2 3.11Å; G195-D199 VanDerWaalsContact O-CG 3.23Å; G195-D199 PolarHBondContact O-N 3.45Å; P196-D199 PolarHBondContact O-N 3.32Å; D199-L201 PolarHBondContact O-N 3.02Å; D199-L201 VanDerWaalsContact O-N 3.08Å; D199-W202 PolarHBondContact O-N 2.89Å; D199-S203 WeakPolarHBondContact O-CB 3.46Å; D199-S203 PolarHBondContact O-N 2.95Å; D199-S203 PolarHBondContact O-OG 3.07Å; D199-S203 VanDerWaalsContact O-OG 3.12Å; D199-Y220 WeakPolarHBondContact OD1-CD2 3.33Å; D199-Y220 WeakPolarHBondContact OD1-CE2 3.39Å
200	L	98.9	Very high	98.2	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-56.7	-26.9	176.3	-73.3	171.4	0	0	0	113.3	L157 T158 L168 G170 G171 I176 V182 L185 P196 C198	L157-L200 HydrophobicContact CB-CD1 4.34Å; L157-L200 HydrophobicContact CD1-CD1 4.13Å; T158-L200 HydrophobicContact CG2-CD1 4.31Å; T158-L200 HydrophobicContact CG2-CD2 4.14Å; L168-L200 HydrophobicContact CD1-CD2 3.7Å; G170-L200 WeakPolarHBondContact CA-O 3.43Å; G170-L200 PolarHBondContact N-O 3.39Å; G171-L200 PolarHBondContact N-O 2.93Å; G171-L200 WeakPolarHBondContact O-CA 3.14Å; I176-L200 HydrophobicContact CD1-CD1 3.66Å; I176-L200 HydrophobicContact CD1-CD2 3.79Å; I176-L200 HydrophobicContact CD1-CG 3.62Å; V182-L200 HydrophobicContact CG1-CD1 3.96Å; V182-L200 HydrophobicContact CG2-CD1 4.48Å; L185-L200 HydrophobicContact CD1-CD1 3.75Å; P196-L200 VanDerWaalsContact O-CG 3.29Å; P196-L200 WeakPolarHBondContact O-CG 3.43Å; P196-L200 PolarHBondContact O-N 3.27Å; C198-L200 PolarHBondContact O-N 2.95Å
201	L	98.8	Very high	98.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-101.6	-18.3	-177.4	-56.3	-176.2	0	0	0	113.4	R117 N119 H169 V191 M197 C198 D199	R117-L201 HydrophobicContact CB-CD2 4.39Å; R117-L201 HydrophobicContact CG-CD1 4.36Å; R117-L201 WeakPolarHBondContact O-CD2 3.49Å; N119-L201 HydrophobicContact CB-CB 4.21Å; H169-L201 HydrophobicContact CB-CD2 4.15Å; H169-L201 PolarHBondContact CD2-O 3.34Å; V191-L201 HydrophobicContact CB-CD1 4.5Å; V191-L201 HydrophobicContact CG1-CD1 3.94Å; V191-L201 HydrophobicContact CG2-CD1 3.67Å; M197-L201 WeakPolarHBondContact O-CG 3.45Å; C198-L201 CarbonylContact O-C 3.5Å; C198-L201 PolarHBondContact O-N 2.87Å; D199-L201 PolarHBondContact O-N 3.02Å; D199-L201 VanDerWaalsContact O-N 3.08Å
202	W	98.8	Very high	98.1	Very high	41 Å²	41	48.5 Å²	48.5	16%	0.155	26%	0.262	C	S	.	.	H	α-helix	trans	-123.5	-18.1	-170.6	-75.6	90.7	0	0	0	115.6	N119 I125 C198 D199 R216 A218 H243	N119-W202 HydrophobicContact CB-CD2 4.03Å; N119-W202 HydrophobicContact CB-CG 4.31Å; N119-W202 HydrophobicContact CB-CZ2 3.88Å; N119-W202 WeakPolarHBondContact ND2-CH2 3.43Å; N119-W202 WeakPolarHBondContact ND2-CZ2 2.96Å; I125-W202 HydrophobicContact CD1-CH2 3.96Å; I125-W202 HydrophobicContact CD1-CZ2 3.78Å; I125-W202 HydrophobicContact CG1-CZ2 4.12Å; C198-W202 WeakPolarHBondContact O-CB 3.36Å; C198-W202 VanDerWaalsContact O-CD1 3.28Å; C198-W202 PolarHBondContact O-N 2.75Å; D199-W202 PolarHBondContact O-N 2.89Å; W202-R216 HydrophobicContact CE3-CB 4.03Å; W202-R216 HydrophobicContact CZ3-CB 4.21Å; W202-A218 HydrophobicContact CB-CB 4.27Å; W202-A218 HydrophobicContact CD2-CB 3.91Å; W202-A218 HydrophobicContact CE3-CB 4.16Å; W202-A218 HydrophobicContact CG-CB 3.96Å; W202-H243 PolarHBondContact O-NE2 2.91Å
203	S	98.8	Very high	98.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.			trans	-70.4	149.5	-176.4	-70.9	0	0	0	0	112.5	G170 G171 L172 D199 Y220 R241	G170-S203 CarbonylContact C-O 3.56Å; G171-S203 PolarHBondContact N-O 3.49Å; L172-S203 WeakPolarHBondContact O-CB 3.38Å; L172-S203 PolarHBondContact O-OG 3.02Å; D199-S203 WeakPolarHBondContact O-CB 3.46Å; D199-S203 PolarHBondContact O-N 2.95Å; D199-S203 PolarHBondContact O-OG 3.07Å; D199-S203 VanDerWaalsContact O-OG 3.12Å; S203-Y220 CarbonylContact C-O 3.53Å; S203-Y220 WeakPolarHBondContact CA-O 3.42Å; S203-Y220 WeakPolarHBondContact CB-O 3.42Å; S203-Y220 PolarHBondContact OG-N 3.38Å; S203-Y220 PolarHBondContact OG-O 2.92Å; S203-R241 PolarHBondContact O-NH2 3.5Å
204	D	98.8	Very high	98.1	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.027	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.6	-177.6	-79.9	-32	0	0	0	113.1	R216 Y220 T221 F222 R241 H243 Q244	D204-R216 IonicContact OD1-CZ 3.88Å; D204-R216 IonicContact OD1-NE 2.74Å; D204-R216 IonicContact OD1-NH2 3.63Å; D204-R216 PolarHBondContact OD1-NH2 3.45Å; D204-R216 IonicContact OD2-CZ 3.8Å; D204-R216 IonicContact OD2-NE 2.82Å; D204-R216 PolarHBondContact OD2-NE 3.39Å; D204-R216 IonicContact OD2-NH2 3.76Å; D204-R216 PolarHBondContact OD2-NH2 3.27Å; D204-Y220 PolarHBondContact N-O 2.57Å; D204-T221 CarbonylContact O-C 3.46Å; D204-T221 WeakPolarHBondContact O-CA 3.4Å; D204-F222 WeakPolarHBondContact O-CD1 3.48Å; D204-F222 WeakPolarHBondContact O-CE1 3.22Å; D204-F222 PolarHBondContact O-N 3.42Å; D204-R241 IonicContact OD1-CZ 2.93Å; D204-R241 IonicContact OD1-NH1 2.99Å; D204-R241 PolarHBondContact OD1-NH1 2.91Å; D204-R241 VanDerWaalsContact OD1-NH1 3.14Å; D204-R241 IonicContact OD1-NH2 3.98Å; D204-R241 PolarHBondContact OD1-NH2 2.84Å; D204-H243 IonicContact OD1-CD2 3.29Å; D204-H243 PolarHBondContact OD1-CD2 3.16Å; D204-H243 VanDerWaalsContact OD1-CD2 3.32Å; D204-Q244 WeakPolarHBondContact OD1-CG 3.45Å; D204-Q244 PolarHBondContact OD1-NE2 3.38Å; D204-Q244 PolarHBondContact OD2-NE2 3.3Å; D204-Q244 VanDerWaalsContact OD2-NE2 3.16Å
205	P	98.6	Very high	98.1	Very high	15 Å²	15	45 Å²	45	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	149.7	166.8	29.7	-34.8	0	0	0	111.1	F222 H254 V258	P205-F222 WeakPolarHBondContact CA-O 3.49Å; P205-F222 HydrophobicContact CB-CE1 4.41Å; P205-F222 HydrophobicContact CB-CE2 4.04Å; P205-F222 HydrophobicContact CB-CZ 3.88Å; P205-F222 HydrophobicContact CG-CZ 4.44Å; P205-F222 VanDerWaalsContact N-CE1 3.33Å; P205-H254 VanDerWaalsContact CB-CE1 3.46Å; P205-H254 WeakPolarHBondContact CB-CE1 3.46Å; P205-V258 HydrophobicContact CB-CG1 4.5Å
206	D	97.9	Very high	97.9	Very high	32 Å²	32	48.4 Å²	48.4	17%	0.171	26%	0.261	C	S	.	.			trans	-145.7	152.4	-176.4	-173.1	-4.1	0	0	0	111.1	R208 T221 F222 H254	D206-R208 PolarHBondContact O-N 2.8Å; D206-R208 PolarHBondContact OD1-N 3.44Å; D206-R208 IonicContact OD1-NE 3.48Å; D206-R208 PolarHBondContact OD1-NE 2.88Å; D206-R208 IonicContact OD2-CZ 3.13Å; D206-R208 IonicContact OD2-NE 2.77Å; D206-R208 PolarHBondContact OD2-NE 3.38Å; D206-R208 IonicContact OD2-NH2 3.66Å; D206-R208 PolarHBondContact OD2-NH2 3.31Å; D206-T221 HydrophobicContact CB-CG2 4.23Å; D206-T221 VanDerWaalsContact OD2-CB 3.3Å; D206-T221 WeakPolarHBondContact OD2-CB 3.35Å; D206-T221 PolarHBondContact OD2-OG1 2.97Å; D206-F222 PolarHBondContact N-O 3.48Å; D206-H254 PolarHBondContact O-NE2 3.27Å
207	D	96	Very high	97.8	Very high	162 Å²	162	50.1 Å²	50.1	87%	0.866	29%	0.286	S	S	*	.	S	Bend	trans	-73.9	-19	179.3	-67.7	-29	0	0	0	111.7
208	R	96.1	Very high	97.7	Very high	148 Å²	148	50.6 Å²	50.6	56%	0.558	29%	0.291	S	S	*	.	S	Bend	trans	-75.8	137.7	175.1	-61.6	178.4	-67.7	174.3	2.7	110.3	D206 T221 G223	D206-R208 PolarHBondContact O-N 2.8Å; D206-R208 PolarHBondContact OD1-N 3.44Å; D206-R208 IonicContact OD1-NE 3.48Å; D206-R208 PolarHBondContact OD1-NE 2.88Å; D206-R208 IonicContact OD2-CZ 3.13Å; D206-R208 IonicContact OD2-NE 2.77Å; D206-R208 PolarHBondContact OD2-NE 3.38Å; D206-R208 IonicContact OD2-NH2 3.66Å; D206-R208 PolarHBondContact OD2-NH2 3.31Å; R208-T221 PolarHBondContact NH2-OG1 3.46Å; R208-G223 WeakPolarHBondContact O-CA 3.39Å
209	G	97.3	Very high	97.7	Very high	61 Å²	61	51.1 Å²	51.1	63%	0.629	30%	0.297	S	S	*	.	S	Bend	trans	-70.2	153.2	174.4	0	0	0	0	0	113.3	D225	G209-D225 VanDerWaalsContact CA-OD1 3.28Å; G209-D225 WeakPolarHBondContact CA-OD1 3.43Å
210	G	98.4	Very high	97.7	Very high	19 Å²	19	55.3 Å²	55.3	20%	0.196	31%	0.313	C	S	.	.	S	Bend	trans	73.8	-156.6	-179.5	0	0	0	0	0	113.8	F222 G223 D225	G210-F222 WeakPolarHBondContact O-CA 3.2Å; G210-G223 PolarHBondContact O-N 3.44Å; G210-D225 WeakPolarHBondContact CA-OD2 3.41Å; G210-D225 PolarHBondContact N-OD1 2.97Å; G210-D225 PolarHBondContact N-OD2 3.28Å
211	W	98.6	Very high	97.7	Very high	96 Å²	96	55.6 Å²	55.6	36%	0.364	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.8	176	-61.2	101.2	0	0	0	111.4	L172 S173 P174 Y220 T221 F222 I226	L172-W211 HydrophobicContact CB-CH2 3.62Å; L172-W211 HydrophobicContact CB-CZ3 4.12Å; S173-W211 WeakPolarHBondContact O-CH2 3.36Å; P174-W211 HydrophobicContact CB-CD2 3.97Å; P174-W211 HydrophobicContact CB-CE3 4.42Å; P174-W211 HydrophobicContact CB-CG 4.31Å; P174-W211 HydrophobicContact CB-CZ2 4.09Å; P174-W211 HydrophobicContact CG-CD2 4.49Å; P174-W211 VanDerWaalsContact N-CH2 3.33Å; W211-Y220 HydrophobicContact CE3-CG 4.47Å; W211-T221 CarbonylContact C-O 3.57Å; W211-T221 WeakPolarHBondContact CA-O 3.45Å; W211-F222 HydrophobicContact CE3-CB 3.77Å; W211-F222 HydrophobicContact CH2-CB 4.28Å; W211-F222 HydrophobicContact CZ3-CB 3.6Å; W211-F222 HydrophobicContact CZ3-CG 4.41Å; W211-I226 HydrophobicContact CD2-CG1 4.36Å; W211-I226 HydrophobicContact CD2-CG2 4.38Å; W211-I226 HydrophobicContact CG-CD1 4.47Å; W211-I226 HydrophobicContact CH2-CG2 3.56Å; W211-I226 HydrophobicContact CZ2-CG2 3.28Å; W211-I226 HydrophobicContact CZ3-CG2 4.22Å
212	G	98.1	Very high	97.7	Very high	17 Å²	17	55.6 Å²	55.6	18%	0.175	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163.8	172	0	0	0	0	0	112.5	Y220 T221	G212-Y220 CarbonylContact O-C 3.54Å; G212-Y220 WeakPolarHBondContact O-CA 3.25Å; G212-Y220 WeakPolarHBondContact O-CB 3.49Å; G212-Y220 WeakPolarHBondContact O-CD1 3.16Å; G212-T221 VanDerWaalsContact CA-OG1 3.27Å; G212-T221 WeakPolarHBondContact CA-OG1 3.28Å; G212-T221 PolarHBondContact N-O 3.48Å; G212-T221 PolarHBondContact N-OG1 2.98Å; G212-T221 PolarHBondContact O-N 3.26Å
213	I	97.2	Very high	97.7	Very high	149 Å²	149	53.7 Å²	53.7	76%	0.764	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.3	174	-61.7	174.4	0	0	0	108.6
214	S	97.3	Very high	97.7	Very high	5 Å²	5	57.2 Å²	57.2	4%	0.035	33%	0.325	C	S	.	.			trans	-65.6	133.1	177.9	176.1	0	0	0	0	111.8	R216 G217 A218 G219	S214-R216 PolarHBondContact O-N 3.02Å; S214-R216 WeakPolarHBondContact OG-CB 3.27Å; S214-R216 WeakPolarHBondContact OG-CG 3.17Å; S214-R216 PolarHBondContact OG-N 2.7Å; S214-R216 VanDerWaalsContact OG-N 3.13Å; S214-G217 PolarHBondContact O-N 2.97Å; S214-A218 WeakPolarHBondContact CB-O 3.37Å; S214-A218 PolarHBondContact OG-O 2.91Å; S214-G219 VanDerWaalsContact CB-C 3.48Å; S214-G219 WeakPolarHBondContact CB-O 3.23Å
215	P	96.3	Very high	97.7	Very high	116 Å²	116	60.2 Å²	60.2	75%	0.753	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.6	172.4	30.4	-35.1	0	0	0	112.7	G217	P215-G217 VanDerWaalsContact C-N 3.26Å; P215-G217 PolarHBondContact O-N 2.82Å
216	R	95.4	Very high	97.7	Very high	96 Å²	96	60.7 Å²	60.7	36%	0.362	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.9	178.1	-56	-176.3	-178.6	-106.9	15.3	113.5	W202 D204 S214 A218 H243	W202-R216 HydrophobicContact CE3-CB 4.03Å; W202-R216 HydrophobicContact CZ3-CB 4.21Å; D204-R216 IonicContact OD1-CZ 3.88Å; D204-R216 IonicContact OD1-NE 2.74Å; D204-R216 IonicContact OD1-NH2 3.63Å; D204-R216 PolarHBondContact OD1-NH2 3.45Å; D204-R216 IonicContact OD2-CZ 3.8Å; D204-R216 IonicContact OD2-NE 2.82Å; D204-R216 PolarHBondContact OD2-NE 3.39Å; D204-R216 IonicContact OD2-NH2 3.76Å; D204-R216 PolarHBondContact OD2-NH2 3.27Å; S214-R216 PolarHBondContact O-N 3.02Å; S214-R216 WeakPolarHBondContact OG-CB 3.27Å; S214-R216 WeakPolarHBondContact OG-CG 3.17Å; S214-R216 PolarHBondContact OG-N 2.7Å; S214-R216 VanDerWaalsContact OG-N 3.13Å; R216-A218 VanDerWaalsContact C-N 3.26Å; R216-H243 VanDerWaalsContact CD-NE2 3.27Å; R216-H243 WeakPolarHBondContact CD-NE2 3.3Å; R216-H243 PolarHBondContact NE-NE2 3.5Å; R216-H243 PolarHBondContact NH1-NE2 3.36Å; R216-H243 PolarHBondContact NH2-CD2 2.94Å; R216-H243 PolarHBondContact NH2-NE2 2.91Å; R216-H243 PolarHBondContact NH2-O 3.38Å
217	G	95.9	Very high	97.7	Very high	75 Å²	75	59.2 Å²	59.2	77%	0.773	33%	0.334	S	S	*	.	S	Bend	trans	80.3	3.4	-172.6	0	0	0	0	0	114.4	S214 P215	S214-G217 PolarHBondContact O-N 2.97Å; P215-G217 VanDerWaalsContact C-N 3.26Å; P215-G217 PolarHBondContact O-N 2.82Å
218	A	97.5	Very high	97.9	Very high	19 Å²	19	55.1 Å²	55.1	16%	0.157	31%	0.31	C	S	.	.	S	Bend	trans	-147.6	150.2	172	0	0	0	0	0	109.7	W202 S214 R216	W202-A218 HydrophobicContact CB-CB 4.27Å; W202-A218 HydrophobicContact CD2-CB 3.91Å; W202-A218 HydrophobicContact CE3-CB 4.16Å; W202-A218 HydrophobicContact CG-CB 3.96Å; S214-A218 WeakPolarHBondContact CB-O 3.37Å; S214-A218 PolarHBondContact OG-O 2.91Å; R216-A218 VanDerWaalsContact C-N 3.26Å
219	G	98.2	Very high	98	Very high	12 Å²	12	52.2 Å²	52.2	12%	0.124	31%	0.309	C	S	.	.	S	Bend	trans	72.4	-168.3	-174	0	0	0	0	0	114.4	S214	S214-G219 VanDerWaalsContact CB-C 3.48Å; S214-G219 WeakPolarHBondContact CB-O 3.23Å
220	Y	98.7	Very high	98.1	Very high	91 Å²	91	50 Å²	50	36%	0.357	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	162.9	-179.1	-67.4	-94	0	0	0	111.4	P174 D199 S203 D204 W211 G212	P174-Y220 VanDerWaalsContact CD-CD2 3.48Å; P174-Y220 HydrophobicContact CG-CD1 4.27Å; P174-Y220 HydrophobicContact CG-CD2 3.73Å; P174-Y220 HydrophobicContact CG-CE1 4.12Å; P174-Y220 HydrophobicContact CG-CE2 3.57Å; P174-Y220 HydrophobicContact CG-CG 4.09Å; D199-Y220 WeakPolarHBondContact OD1-CD2 3.33Å; D199-Y220 WeakPolarHBondContact OD1-CE2 3.39Å; S203-Y220 CarbonylContact C-O 3.53Å; S203-Y220 WeakPolarHBondContact CA-O 3.42Å; S203-Y220 WeakPolarHBondContact CB-O 3.42Å; S203-Y220 PolarHBondContact OG-N 3.38Å; S203-Y220 PolarHBondContact OG-O 2.92Å; D204-Y220 PolarHBondContact N-O 2.57Å; W211-Y220 HydrophobicContact CE3-CG 4.47Å; G212-Y220 CarbonylContact O-C 3.54Å; G212-Y220 WeakPolarHBondContact O-CA 3.25Å; G212-Y220 WeakPolarHBondContact O-CB 3.49Å; G212-Y220 WeakPolarHBondContact O-CD1 3.16Å
221	T	98.8	Very high	98.1	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	147.5	156.1	67.7	0	0	0	0	110.6	D204 D206 R208 W211 G212	D204-T221 CarbonylContact O-C 3.46Å; D204-T221 WeakPolarHBondContact O-CA 3.4Å; D206-T221 HydrophobicContact CB-CG2 4.23Å; D206-T221 VanDerWaalsContact OD2-CB 3.3Å; D206-T221 WeakPolarHBondContact OD2-CB 3.35Å; D206-T221 PolarHBondContact OD2-OG1 2.97Å; R208-T221 PolarHBondContact NH2-OG1 3.46Å; W211-T221 CarbonylContact C-O 3.57Å; W211-T221 WeakPolarHBondContact CA-O 3.45Å; G212-T221 VanDerWaalsContact CA-OG1 3.27Å; G212-T221 WeakPolarHBondContact CA-OG1 3.28Å; G212-T221 PolarHBondContact N-O 3.48Å; G212-T221 PolarHBondContact N-OG1 2.98Å; G212-T221 PolarHBondContact O-N 3.26Å
222	F	98.9	Very high	98.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.7	177.5	62.2	-85.5	0	0	0	111.8	L172 D204 P205 D206 G210 W211 I226 A227 H254 V258	L172-F222 HydrophobicContact CB-CD1 4.34Å; L172-F222 HydrophobicContact CB-CD2 4.47Å; L172-F222 HydrophobicContact CB-CG 4.28Å; L172-F222 HydrophobicContact CD1-CD2 4.04Å; L172-F222 HydrophobicContact CD1-CE2 4.2Å; L172-F222 HydrophobicContact CG-CD2 4.26Å; L172-F222 HydrophobicContact CG-CE2 4.16Å; L172-F222 HydrophobicContact CG-CZ 4.39Å; D204-F222 WeakPolarHBondContact O-CD1 3.48Å; D204-F222 WeakPolarHBondContact O-CE1 3.22Å; D204-F222 PolarHBondContact O-N 3.42Å; P205-F222 WeakPolarHBondContact CA-O 3.49Å; P205-F222 HydrophobicContact CB-CE1 4.41Å; P205-F222 HydrophobicContact CB-CE2 4.04Å; P205-F222 HydrophobicContact CB-CZ 3.88Å; P205-F222 HydrophobicContact CG-CZ 4.44Å; P205-F222 VanDerWaalsContact N-CE1 3.33Å; D206-F222 PolarHBondContact N-O 3.48Å; G210-F222 WeakPolarHBondContact O-CA 3.2Å; W211-F222 HydrophobicContact CE3-CB 3.77Å; W211-F222 HydrophobicContact CH2-CB 4.28Å; W211-F222 HydrophobicContact CZ3-CB 3.6Å; W211-F222 HydrophobicContact CZ3-CG 4.41Å; F222-I226 HydrophobicContact CB-CB 4.15Å; F222-I226 HydrophobicContact CB-CG1 4.49Å; F222-I226 HydrophobicContact CB-CG2 3.99Å; F222-A227 HydrophobicContact CE2-CB 4.5Å; F222-H254 AromaticContact CD2-CE1 3.86Å; F222-H254 AromaticContact CE2-CE1 3.92Å; F222-H254 PolarHBondContact O-CE1 3.08Å; F222-H254 PolarHBondContact O-NE2 3.33Å; F222-V258 HydrophobicContact CE2-CG2 4.08Å
223	G	98.7	Very high	98.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.31	C	S	.	.			trans	-85.8	174.4	179	0	0	0	0	0	114.4	R208 G210 D225 I226 A227 H254	R208-G223 WeakPolarHBondContact O-CA 3.39Å; G210-G223 PolarHBondContact O-N 3.44Å; G223-D225 VanDerWaalsContact C-N 3.29Å; G223-D225 PolarHBondContact O-N 3.21Å; G223-I226 WeakPolarHBondContact O-CB 3.38Å; G223-I226 PolarHBondContact O-N 2.89Å; G223-I226 VanDerWaalsContact O-N 3.12Å; G223-A227 PolarHBondContact O-N 2.92Å; G223-H254 VanDerWaalsContact C-CE1 3.49Å
224	Q	98.7	Very high	98.2	Very high	75 Å²	75	49.8 Å²	49.8	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-57	-39.9	177.8	174.4	172.7	-28	0	0	112.9	I226 A227 E228 H254	Q224-I226 PolarHBondContact O-N 3.49Å; Q224-A227 PolarHBondContact O-N 2.86Å; Q224-E228 HydrophobicContact CG-CG 4.19Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.22Å; Q224-E228 PolarHBondContact NE2-OE1 3.45Å; Q224-E228 WeakPolarHBondContact O-CB 3.07Å; Q224-E228 WeakPolarHBondContact O-CG 3.39Å; Q224-E228 PolarHBondContact O-N 2.91Å; Q224-H254 HydrophobicContact CB-CB 3.79Å; Q224-H254 HydrophobicContact CG-CB 3.89Å
225	D	98.7	Very high	98.2	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-35	178.4	57.7	-61.7	0	0	0	112.6	G209 G210 G223 T229	G209-D225 VanDerWaalsContact CA-OD1 3.28Å; G209-D225 WeakPolarHBondContact CA-OD1 3.43Å; G210-D225 WeakPolarHBondContact CA-OD2 3.41Å; G210-D225 PolarHBondContact N-OD1 2.97Å; G210-D225 PolarHBondContact N-OD2 3.28Å; G223-D225 VanDerWaalsContact C-N 3.29Å; G223-D225 PolarHBondContact O-N 3.21Å; D225-T229 WeakPolarHBondContact O-CB 3.33Å; D225-T229 PolarHBondContact O-N 3.21Å; D225-T229 VanDerWaalsContact O-N 3.09Å; D225-T229 PolarHBondContact O-OG1 3.49Å
226	I	98.8	Very high	98.3	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.128	28%	0.276	C	S	.	.	H	α-helix	trans	-70.6	-46.3	176	-57.9	-54.9	0	0	0	110.4	L172 W211 F222 G223 Q224 T229 F230	L172-I226 HydrophobicContact CD1-CG2 3.95Å; W211-I226 HydrophobicContact CD2-CG1 4.36Å; W211-I226 HydrophobicContact CD2-CG2 4.38Å; W211-I226 HydrophobicContact CG-CD1 4.47Å; W211-I226 HydrophobicContact CH2-CG2 3.56Å; W211-I226 HydrophobicContact CZ2-CG2 3.28Å; W211-I226 HydrophobicContact CZ3-CG2 4.22Å; F222-I226 HydrophobicContact CB-CB 4.15Å; F222-I226 HydrophobicContact CB-CG1 4.49Å; F222-I226 HydrophobicContact CB-CG2 3.99Å; G223-I226 WeakPolarHBondContact O-CB 3.38Å; G223-I226 PolarHBondContact O-N 2.89Å; G223-I226 VanDerWaalsContact O-N 3.12Å; Q224-I226 PolarHBondContact O-N 3.49Å; I226-T229 PolarHBondContact O-N 3.45Å; I226-F230 WeakPolarHBondContact O-CB 3.5Å; I226-F230 PolarHBondContact O-N 3.41Å
227	A	98.8	Very high	98.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-45.8	178.7	0	0	0	0	0	111.9	F222 G223 Q224 T229 F230 N231 I239 H254 Q257 V258	F222-A227 HydrophobicContact CE2-CB 4.5Å; G223-A227 PolarHBondContact O-N 2.92Å; Q224-A227 PolarHBondContact O-N 2.86Å; A227-T229 PolarHBondContact O-N 2.85Å; A227-F230 PolarHBondContact O-N 3.05Å; A227-N231 WeakPolarHBondContact O-CB 3.42Å; A227-N231 PolarHBondContact O-N 2.87Å; A227-I239 HydrophobicContact CB-CD1 4.32Å; A227-H254 HydrophobicContact CB-CB 4.36Å; A227-Q257 HydrophobicContact CB-CB 4.03Å; A227-V258 HydrophobicContact CB-CG2 3.71Å
228	E	98.7	Very high	98.6	Very high	77 Å²	77	42.4 Å²	42.4	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-59.3	-46.6	175.8	-74	176.8	-178.4	0	0	111.9	Q224 H232 Q257	Q224-E228 HydrophobicContact CG-CG 4.19Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.22Å; Q224-E228 PolarHBondContact NE2-OE1 3.45Å; Q224-E228 WeakPolarHBondContact O-CB 3.07Å; Q224-E228 WeakPolarHBondContact O-CG 3.39Å; Q224-E228 PolarHBondContact O-N 2.91Å; E228-H232 VanDerWaalsContact O-CB 3.24Å; E228-H232 WeakPolarHBondContact O-CB 3.22Å; E228-H232 PolarHBondContact O-N 3.35Å; E228-Q257 HydrophobicContact CG-CG 3.74Å
229	T	98.7	Very high	98.6	Very high	87 Å²	87	41.5 Å²	41.5	53%	0.534	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-48.9	179.4	-60.4	0	0	0	0	110.8	D225 I226 A227 N231 H232 S233	D225-T229 WeakPolarHBondContact O-CB 3.33Å; D225-T229 PolarHBondContact O-N 3.21Å; D225-T229 VanDerWaalsContact O-N 3.09Å; D225-T229 PolarHBondContact O-OG1 3.49Å; I226-T229 PolarHBondContact O-N 3.45Å; A227-T229 PolarHBondContact O-N 2.85Å; T229-N231 PolarHBondContact O-N 3.03Å; T229-H232 PolarHBondContact O-N 2.79Å; T229-S233 WeakPolarHBondContact O-CB 3.47Å; T229-S233 PolarHBondContact O-N 3.13Å; T229-S233 PolarHBondContact O-OG 2.78Å
230	F	98.9	Very high	98.7	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.066	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-46.6	-179.4	-173.2	-90.9	0	0	0	111.8	F166 L172 I176 L179 I226 A227 S233 N234 L236 I239	F166-F230 AromaticContact CD1-CE1 3.89Å; F166-F230 HydrophobicContact CD1-CE1 3.89Å; F166-F230 AromaticContact CE1-CE1 3.92Å; F166-F230 HydrophobicContact CE1-CE1 3.92Å; F166-F230 HydrophobicContact CE1-CZ 4.12Å; L172-F230 HydrophobicContact CD1-CB 3.75Å; L172-F230 HydrophobicContact CD1-CD1 4.38Å; L172-F230 HydrophobicContact CD1-CG 4Å; L172-F230 HydrophobicContact CD2-CD1 3.71Å; L172-F230 HydrophobicContact CD2-CD2 4.21Å; L172-F230 HydrophobicContact CD2-CE1 3.87Å; L172-F230 HydrophobicContact CD2-CE2 4.35Å; L172-F230 HydrophobicContact CD2-CG 3.89Å; L172-F230 HydrophobicContact CD2-CZ 4.19Å; I176-F230 HydrophobicContact CG2-CE2 4.19Å; I176-F230 WeakPolarHBondContact O-CE2 3.21Å; L179-F230 HydrophobicContact CD2-CE1 4.5Å; L179-F230 HydrophobicContact CD2-CZ 4.3Å; I226-F230 WeakPolarHBondContact O-CB 3.5Å; I226-F230 PolarHBondContact O-N 3.41Å; A227-F230 PolarHBondContact O-N 3.05Å; F230-S233 PolarHBondContact O-N 2.64Å; F230-N234 WeakPolarHBondContact O-CB 3.26Å; F230-N234 PolarHBondContact O-N 3Å; F230-N234 VanDerWaalsContact O-N 3.09Å; F230-N234 PolarHBondContact O-ND2 3.37Å; F230-L236 HydrophobicContact CD1-CD1 3.96Å; F230-L236 HydrophobicContact CE1-CD1 3.69Å; F230-I239 HydrophobicContact CD1-CD1 4.31Å
231	N	98.9	Very high	98.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-47.5	178.4	-78.4	-11.3	0	0	0	111.5	A227 T229 S233 N234 G235 L236 I239 Q257	A227-N231 WeakPolarHBondContact O-CB 3.42Å; A227-N231 PolarHBondContact O-N 2.87Å; T229-N231 PolarHBondContact O-N 3.03Å; N231-S233 PolarHBondContact O-N 3.22Å; N231-N234 PolarHBondContact O-N 3.38Å; N231-G235 PolarHBondContact O-N 2.61Å; N231-L236 HydrophobicContact CB-CB 4.14Å; N231-L236 PolarHBondContact O-N 2.96Å; N231-I239 WeakPolarHBondContact OD1-CD1 3.37Å; N231-I239 VanDerWaalsContact OD1-CG1 3.26Å; N231-I239 WeakPolarHBondContact OD1-CG1 3.19Å; N231-Q257 PolarHBondContact ND2-O 2.81Å; N231-Q257 PolarHBondContact ND2-OE1 3.34Å
232	H	98.6	Very high	98.7	Very high	160 Å²	160	36.1 Å²	36.1	74%	0.741	21%	0.21	S	C	*	.	H	α-helix	trans	-60.7	-47.9	179	-177.1	68.9	0	0	0	112.2	E228 T229 N234 G235	E228-H232 VanDerWaalsContact O-CB 3.24Å; E228-H232 WeakPolarHBondContact O-CB 3.22Å; E228-H232 PolarHBondContact O-N 3.35Å; T229-H232 PolarHBondContact O-N 2.79Å; H232-N234 VanDerWaalsContact C-N 3.26Å; H232-N234 PolarHBondContact O-N 3.13Å; H232-G235 PolarHBondContact O-N 3.48Å
233	S	98.2	Very high	98.7	Very high	84 Å²	84	36.6 Å²	36.6	59%	0.587	21%	0.212	S	C	*	.	H	α-helix	trans	-66.2	-26.2	-178.7	-68.5	0	0	0	0	113.7	T229 F230 N231	T229-S233 WeakPolarHBondContact O-CB 3.47Å; T229-S233 PolarHBondContact O-N 3.13Å; T229-S233 PolarHBondContact O-OG 2.78Å; F230-S233 PolarHBondContact O-N 2.64Å; N231-S233 PolarHBondContact O-N 3.22Å
234	N	98.8	Very high	98.7	Very high	31 Å²	31	39 Å²	39	17%	0.166	22%	0.223	C	C	.	.	H	α-helix	trans	-103.5	1.9	-179.8	-69.3	-82.6	0	0	0	113.9	D177 T178 L179 F230 N231 H232 L236	D177-N234 PolarHBondContact O-ND2 2.99Å; T178-N234 WeakPolarHBondContact CA-OD1 3.45Å; L179-N234 HydrophobicContact CG-CB 4.22Å; L179-N234 PolarHBondContact N-OD1 3.38Å; F230-N234 WeakPolarHBondContact O-CB 3.26Å; F230-N234 PolarHBondContact O-N 3Å; F230-N234 VanDerWaalsContact O-N 3.09Å; F230-N234 PolarHBondContact O-ND2 3.37Å; N231-N234 PolarHBondContact O-N 3.38Å; H232-N234 VanDerWaalsContact C-N 3.26Å; H232-N234 PolarHBondContact O-N 3.13Å; N234-L236 VanDerWaalsContact C-N 3.32Å; N234-L236 HydrophobicContact CB-CD1 3.87Å; N234-L236 HydrophobicContact CB-CG 3.83Å; N234-L236 PolarHBondContact O-N 3.48Å
235	G	98.5	Very high	98.6	Very high	57 Å²	57	38.4 Å²	38.4	59%	0.588	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	29	-179.4	0	0	0	0	0	114.1	N231 H232	N231-G235 PolarHBondContact O-N 2.61Å; H232-G235 PolarHBondContact O-N 3.48Å
236	L	98.7	Very high	98.6	Very high	16 Å²	16	36 Å²	36	8%	0.084	21%	0.21	C	C	.	.			trans	-92.8	149.6	-177.6	-54.4	171	0	0	0	111.2	L160 Q164 F166 L179 F230 N231 N234	L160-L236 HydrophobicContact CD1-CD2 3.5Å; Q164-L236 CarbonylContact O-C 3.48Å; Q164-L236 VanDerWaalsContact O-CA 3.31Å; Q164-L236 WeakPolarHBondContact O-CA 3.47Å; Q164-L236 WeakPolarHBondContact O-CB 3.22Å; F166-L236 HydrophobicContact CB-CD1 3.58Å; F166-L236 HydrophobicContact CB-CD2 4.09Å; F166-L236 HydrophobicContact CB-CG 4.4Å; F166-L236 HydrophobicContact CD1-CD1 4.48Å; F166-L236 HydrophobicContact CG-CD1 4.15Å; L179-L236 HydrophobicContact CD1-CD2 4.37Å; F230-L236 HydrophobicContact CD1-CD1 3.96Å; F230-L236 HydrophobicContact CE1-CD1 3.69Å; N231-L236 HydrophobicContact CB-CB 4.14Å; N231-L236 PolarHBondContact O-N 2.96Å; N234-L236 VanDerWaalsContact C-N 3.32Å; N234-L236 HydrophobicContact CB-CD1 3.87Å; N234-L236 HydrophobicContact CB-CG 3.83Å; N234-L236 PolarHBondContact O-N 3.48Å
237	S	97.9	Very high	98.6	Very high	58 Å²	58	39.6 Å²	39.6	41%	0.406	23%	0.227	S	C	.	.	S	Bend	trans	-96.8	-22.5	172.7	60.6	0	0	0	0	112.9	Q164	Q164-S237 PolarHBondContact O-N 3.28Å; Q164-S237 PolarHBondContact O-OG 3.18Å
238	L	98.7	Very high	98.5	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	142.2	-172.9	177	59	0	0	0	111.7	I165 F166 W252 V259 M278	I165-L238 WeakPolarHBondContact CA-O 3.05Å; I165-L238 HydrophobicContact CD1-CD2 4.35Å; I165-L238 HydrophobicContact CG1-CB 4.16Å; I165-L238 HydrophobicContact CG2-CB 4.15Å; I165-L238 HydrophobicContact CG2-CD2 4.06Å; I165-L238 HydrophobicContact CG2-CG 4.14Å; F166-L238 PolarHBondContact N-O 2.86Å; L238-W252 HydrophobicContact CD1-CE3 4.5Å; L238-W252 HydrophobicContact CD1-CH2 4.07Å; L238-W252 HydrophobicContact CD1-CZ3 3.5Å; L238-W252 VanDerWaalsContact CD1-CZ3 3.5Å; L238-W252 HydrophobicContact CD2-CH2 3.98Å; L238-W252 HydrophobicContact CD2-CZ3 4.28Å; L238-V259 HydrophobicContact CD1-CB 4.3Å; L238-V259 HydrophobicContact CD1-CG1 4.06Å; L238-V259 HydrophobicContact CD2-CG1 3.95Å; L238-V259 HydrophobicContact CG-CG1 4.3Å; L238-M278 HydrophobicContact CD2-SD 4.43Å
239	I	98.9	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.3	158.1	-65.5	155	0	0	0	108.3	F166 L168 L172 A227 F230 N231 Q257 V258 V259	F166-I239 HydrophobicContact CD1-CG1 4.37Å; F166-I239 CarbonylContact O-C 3.57Å; F166-I239 WeakPolarHBondContact O-CA 3.41Å; L168-I239 HydrophobicContact CD2-CG2 3.59Å; L172-I239 HydrophobicContact CD1-CD1 3.8Å; L172-I239 HydrophobicContact CD2-CD1 3.87Å; L172-I239 HydrophobicContact CG-CD1 4.09Å; A227-I239 HydrophobicContact CB-CD1 4.32Å; F230-I239 HydrophobicContact CD1-CD1 4.31Å; N231-I239 WeakPolarHBondContact OD1-CD1 3.37Å; N231-I239 VanDerWaalsContact OD1-CG1 3.26Å; N231-I239 WeakPolarHBondContact OD1-CG1 3.19Å; I239-Q257 PolarHBondContact N-O 3.13Å; I239-V258 HydrophobicContact CB-CG2 4.21Å; I239-V258 HydrophobicContact CD1-CG2 4.24Å; I239-V258 HydrophobicContact CG2-CG1 4.38Å; I239-V258 CarbonylContact O-C 3.56Å; I239-V258 WeakPolarHBondContact O-CA 3.46Å; I239-V259 PolarHBondContact O-N 3Å
240	S	98.9	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.6	171.8	-171.2	0	0	0	0	109.1	F166 C167 L168 I261 M278	F166-S240 PolarHBondContact O-N 3.37Å; C167-S240 VanDerWaalsContact CA-O 3.25Å; C167-S240 WeakPolarHBondContact CA-O 3.42Å; L168-S240 PolarHBondContact N-O 3.48Å; L168-S240 VanDerWaalsContact N-O 3.09Å; S240-I261 WeakPolarHBondContact OG-CD1 3.48Å; S240-M278 WeakPolarHBondContact OG-CE 3.2Å
241	R	98.9	Very high	98.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	169.2	-176.1	69.2	80.1	57.3	154.3	12.5	113.8	L168 H169 G170 S203 D204 H243 Q244 V258 V259 T260 I261	L168-R241 HydrophobicContact CD2-CB 4Å; L168-R241 WeakPolarHBondContact O-CA 3.36Å; L168-R241 WeakPolarHBondContact O-CB 3.39Å; H169-R241 PolarHBondContact O-NE 3.44Å; G170-R241 WeakPolarHBondContact O-CB 3.41Å; G170-R241 PolarHBondContact O-NE 3.29Å; G170-R241 PolarHBondContact O-NH2 3.49Å; S203-R241 PolarHBondContact O-NH2 3.5Å; D204-R241 IonicContact OD1-CZ 2.93Å; D204-R241 IonicContact OD1-NH1 2.99Å; D204-R241 PolarHBondContact OD1-NH1 2.91Å; D204-R241 VanDerWaalsContact OD1-NH1 3.14Å; D204-R241 IonicContact OD1-NH2 3.98Å; D204-R241 PolarHBondContact OD1-NH2 2.84Å; R241-H243 PolarHBondContact NH2-CD2 3.33Å; R241-Q244 VanDerWaalsContact NH1-CG 3.28Å; R241-V258 HydrophobicContact CG-CG1 3.97Å; R241-V259 PolarHBondContact N-O 3.45Å; R241-T260 VanDerWaalsContact CD-OG1 3.31Å; R241-T260 WeakPolarHBondContact CD-OG1 3.43Å; R241-T260 CarbonylContact O-C 3.09Å; R241-T260 VanDerWaalsContact O-CA 3.27Å; R241-T260 WeakPolarHBondContact O-CA 3.42Å; R241-I261 PolarHBondContact O-N 3.34Å
242	A	98.9	Very high	98.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.247	C	C	.	.			trans	-120.3	-130.7	-175.3	0	0	0	0	0	111.8	D59 M85 H169 Q244 I261	D59-A242 WeakPolarHBondContact OD1-CB 3.31Å; M85-A242 HydrophobicContact CB-CB 3.91Å; M85-A242 HydrophobicContact CE-CB 3.92Å; H169-A242 CarbonylContact O-C 3.49Å; H169-A242 PolarHBondContact O-N 3.12Å; A242-Q244 PolarHBondContact O-N 2.96Å; A242-I261 WeakPolarHBondContact CA-O 3.21Å
243	H	98.7	Very high	98.5	Very high	9 Å²	9	39 Å²	39	4%	0.042	22%	0.219	C	C	.	.	S	Bend	trans	66.1	-26.6	161.1	-174.2	60.3	0	0	0	118.8	D59 N119 H169 W202 D204 R216 R241	D59-H243 PolarHBondContact OD1-N 2.97Å; D59-H243 WeakPolarHBondContact OD2-CA 3.27Å; D59-H243 PolarHBondContact OD2-N 3.27Å; N119-H243 PolarHBondContact OD1-CE1 3.19Å; N119-H243 VanDerWaalsContact OD1-CE1 3.24Å; N119-H243 PolarHBondContact OD1-ND1 3.27Å; H169-H243 AromaticContact CD2-ND1 3.89Å; H169-H243 AromaticContact NE2-CG 3.87Å; H169-H243 AromaticContact NE2-ND1 3.45Å; H169-H243 PolarHBondContact NE2-ND1 2.93Å; H169-H243 WeakPolarHBondContact O-CB 3.23Å; W202-H243 PolarHBondContact O-NE2 2.91Å; D204-H243 IonicContact OD1-CD2 3.29Å; D204-H243 PolarHBondContact OD1-CD2 3.16Å; D204-H243 VanDerWaalsContact OD1-CD2 3.32Å; R216-H243 VanDerWaalsContact CD-NE2 3.27Å; R216-H243 WeakPolarHBondContact CD-NE2 3.3Å; R216-H243 PolarHBondContact NE-NE2 3.5Å; R216-H243 PolarHBondContact NH1-NE2 3.36Å; R216-H243 PolarHBondContact NH2-CD2 2.94Å; R216-H243 PolarHBondContact NH2-NE2 2.91Å; R216-H243 PolarHBondContact NH2-O 3.38Å; R241-H243 PolarHBondContact NH2-CD2 3.33Å
244	Q	98.4	Very high	98.5	Very high	51 Å²	51	35.7 Å²	35.7	24%	0.238	19%	0.194	C	C	.	.	S	Bend	trans	-105.5	124.9	173.2	-83.3	175.3	-38.4	0	0	110.2	D204 R241 A242 V246 T260 F262	D204-Q244 WeakPolarHBondContact OD1-CG 3.45Å; D204-Q244 PolarHBondContact OD1-NE2 3.38Å; D204-Q244 PolarHBondContact OD2-NE2 3.3Å; D204-Q244 VanDerWaalsContact OD2-NE2 3.16Å; R241-Q244 VanDerWaalsContact NH1-CG 3.28Å; A242-Q244 PolarHBondContact O-N 2.96Å; Q244-V246 PolarHBondContact O-N 2.84Å; Q244-T260 HydrophobicContact CB-CG2 4.12Å; Q244-T260 WeakPolarHBondContact O-CG2 3.28Å; Q244-F262 WeakPolarHBondContact O-CD2 2.99Å
245	L	98.2	Very high	98.4	Very high	62 Å²	62	40.1 Å²	40.1	33%	0.325	22%	0.218	S	C	.	.			trans	-59.8	125.3	166.1	-178.2	150	0	0	0	109.4	M247 F262 Y267 C271 N273	L245-M247 HydrophobicContact CD2-SD 3.97Å; L245-F262 HydrophobicContact CB-CE1 4.46Å; L245-F262 HydrophobicContact CB-CE2 4.24Å; L245-F262 HydrophobicContact CB-CZ 4.19Å; L245-F262 HydrophobicContact CD1-CE1 4.32Å; L245-F262 HydrophobicContact CD1-CZ 4.42Å; L245-F262 HydrophobicContact CG-CE1 4.3Å; L245-F262 HydrophobicContact CG-CZ 4.46Å; L245-Y267 HydrophobicContact CD1-CD1 3.63Å; L245-Y267 HydrophobicContact CD1-CG 3.99Å; L245-C271 HydrophobicContact CD1-CB 3.56Å; L245-N273 HydrophobicContact CD2-CB 4.28Å; L245-N273 HydrophobicContact CG-CB 4.42Å
246	V	98	Very high	98.4	Very high	19 Å²	19	44.2 Å²	44.2	12%	0.115	22%	0.216	C	C	.	.			trans	-126	134.7	173.5	-68.4	0	0	0	0	108.7	Q244 E248 G249 N251 T260 F262	Q244-V246 PolarHBondContact O-N 2.84Å; V246-E248 VanDerWaalsContact C-N 3.26Å; V246-E248 PolarHBondContact O-N 2.76Å; V246-G249 PolarHBondContact O-N 2.88Å; V246-N251 HydrophobicContact CB-CB 4.03Å; V246-N251 HydrophobicContact CG1-CB 3.69Å; V246-N251 HydrophobicContact CG2-CB 4.39Å; V246-T260 HydrophobicContact CG1-CG2 3.86Å; V246-T260 HydrophobicContact CG2-CG2 4.26Å; V246-F262 HydrophobicContact CG2-CB 3.96Å
247	M	98.1	Very high	98.4	Very high	99 Å²	99	45.8 Å²	45.8	49%	0.488	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.2	-167.4	-70.9	-55.3	-57.8	0	0	114	L245 G249 N273 Q274	L245-M247 HydrophobicContact CD2-SD 3.97Å; M247-G249 VanDerWaalsContact C-N 3.34Å; M247-N273 HydrophobicContact CE-CB 4.18Å; M247-N273 CarbonylContact O-C 3.57Å; M247-N273 VanDerWaalsContact O-CA 3.31Å; M247-N273 WeakPolarHBondContact O-CA 3.49Å; M247-N273 HydrophobicContact SD-CB 4.09Å; M247-Q274 PolarHBondContact O-N 3.48Å
248	E	98	Very high	98.4	Very high	107 Å²	107	43 Å²	43	50%	0.5	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.8	-179.6	-59.4	-59.1	136.8	0	0	112.6	V246 Y250 Q274 Q290	V246-E248 VanDerWaalsContact C-N 3.26Å; V246-E248 PolarHBondContact O-N 2.76Å; E248-Y250 PolarHBondContact O-N 2.91Å; E248-Y250 VanDerWaalsContact O-N 3.11Å; E248-Q274 PolarHBondContact OE2-OE1 3.32Å; E248-Q290 PolarHBondContact O-NE2 3.26Å; E248-Q290 PolarHBondContact OE2-NE2 3.49Å
249	G	98.5	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	76.2	-17.1	-174.6	0	0	0	0	0	114.4	V246 M247 F262 Q274 A276	V246-G249 PolarHBondContact O-N 2.88Å; M247-G249 VanDerWaalsContact C-N 3.34Å; G249-F262 PolarHBondContact O-N 3.49Å; G249-F262 VanDerWaalsContact O-O 3.14Å; G249-Q274 WeakPolarHBondContact CA-O 3.48Å; G249-Q274 PolarHBondContact N-O 3.49Å; G249-A276 VanDerWaalsContact C-CB 3.48Å; G249-A276 WeakPolarHBondContact O-CB 3.4Å
250	Y	98.7	Very high	98.4	Very high	67 Å²	67	42.9 Å²	42.9	26%	0.263	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.7	165.8	74.4	-74.3	0	0	0	111.3	E248 W252 T260 A276 F288 Q290	E248-Y250 PolarHBondContact O-N 2.91Å; E248-Y250 VanDerWaalsContact O-N 3.11Å; Y250-W252 AromaticContact CE2-CD1 3.96Å; Y250-W252 AromaticContact CE2-NE1 3.91Å; Y250-T260 CarbonylContact C-O 3.59Å; Y250-T260 WeakPolarHBondContact CA-O 3.48Å; Y250-T260 WeakPolarHBondContact CB-O 3.23Å; Y250-A276 HydrophobicContact CD1-CB 3.97Å; Y250-A276 HydrophobicContact CG-CB 4.47Å; Y250-F288 HydrophobicContact CD1-CB 4.16Å; Y250-F288 HydrophobicContact CD1-CD1 4.15Å; Y250-F288 HydrophobicContact CD1-CG 4.2Å; Y250-F288 AromaticContact CD2-CD1 3.7Å; Y250-F288 HydrophobicContact CD2-CD1 3.7Å; Y250-F288 HydrophobicContact CD2-CD2 4.05Å; Y250-F288 AromaticContact CD2-CE1 3.8Å; Y250-F288 HydrophobicContact CD2-CE1 3.8Å; Y250-F288 HydrophobicContact CD2-CE2 4.16Å; Y250-F288 AromaticContact CD2-CG 3.84Å; Y250-F288 HydrophobicContact CD2-CG 3.84Å; Y250-F288 HydrophobicContact CD2-CZ 4.05Å; Y250-F288 HydrophobicContact CE1-CB 4.07Å; Y250-F288 HydrophobicContact CE1-CG 4.31Å; Y250-F288 HydrophobicContact CE2-CD1 4.3Å; Y250-F288 AromaticContact CE2-CD2 3.88Å; Y250-F288 HydrophobicContact CE2-CD2 3.88Å; Y250-F288 HydrophobicContact CE2-CE2 4.19Å; Y250-F288 AromaticContact CE2-CG 3.96Å; Y250-F288 HydrophobicContact CE2-CG 3.96Å; Y250-F288 HydrophobicContact CG-CB 4.43Å; Y250-F288 AromaticContact CG-CD1 3.62Å; Y250-F288 HydrophobicContact CG-CD1 3.62Å; Y250-F288 HydrophobicContact CG-CE1 4.02Å; Y250-F288 AromaticContact CG-CG 3.97Å; Y250-F288 HydrophobicContact CG-CG 3.97Å; Y250-Q290 HydrophobicContact CD1-CG 4.09Å; Y250-Q290 HydrophobicContact CE1-CG 3.88Å
251	N	98.6	Very high	98.4	Very high	80 Å²	80	42.9 Å²	42.9	43%	0.428	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133.4	174.7	-175	48	0	0	0	111.4	V246 V259 T260	V246-N251 HydrophobicContact CB-CB 4.03Å; V246-N251 HydrophobicContact CG1-CB 3.69Å; V246-N251 HydrophobicContact CG2-CB 4.39Å; N251-V259 WeakPolarHBondContact O-CA 3.47Å; N251-T260 PolarHBondContact N-O 2.83Å; N251-T260 PolarHBondContact O-N 2.88Å
252	W	98.5	Very high	98.4	Very high	52 Å²	52	43 Å²	43	20%	0.197	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	135.5	170.9	-71.9	101.3	0	0	0	110.1	L238 Y250 R256 V259 Y286 F288	L238-W252 HydrophobicContact CD1-CE3 4.5Å; L238-W252 HydrophobicContact CD1-CH2 4.07Å; L238-W252 HydrophobicContact CD1-CZ3 3.5Å; L238-W252 VanDerWaalsContact CD1-CZ3 3.5Å; L238-W252 HydrophobicContact CD2-CH2 3.98Å; L238-W252 HydrophobicContact CD2-CZ3 4.28Å; Y250-W252 AromaticContact CE2-CD1 3.96Å; Y250-W252 AromaticContact CE2-NE1 3.91Å; W252-R256 HydrophobicContact CD2-CB 4.49Å; W252-R256 HydrophobicContact CD2-CG 4.22Å; W252-R256 HydrophobicContact CE3-CB 3.77Å; W252-R256 HydrophobicContact CE3-CG 3.98Å; W252-R256 HydrophobicContact CG-CG 4.47Å; W252-R256 HydrophobicContact CZ3-CB 3.96Å; W252-V259 HydrophobicContact CD2-CB 4.12Å; W252-V259 HydrophobicContact CD2-CG2 4.02Å; W252-V259 HydrophobicContact CE3-CB 3.73Å; W252-V259 HydrophobicContact CE3-CG2 4.16Å; W252-V259 HydrophobicContact CH2-CB 4.03Å; W252-V259 HydrophobicContact CH2-CG1 4.45Å; W252-V259 HydrophobicContact CH2-CG2 4.44Å; W252-V259 HydrophobicContact CZ2-CB 4.36Å; W252-V259 HydrophobicContact CZ2-CG2 4.27Å; W252-V259 HydrophobicContact CZ3-CB 3.72Å; W252-V259 HydrophobicContact CZ3-CG1 4.42Å; W252-V259 HydrophobicContact CZ3-CG2 4.4Å; W252-Y286 HydrophobicContact CH2-CE1 4.29Å; W252-Y286 HydrophobicContact CH2-CE2 4.12Å; W252-Y286 AromaticContact CH2-CZ 3.99Å; W252-Y286 AromaticContact CZ2-CD2 3.96Å; W252-Y286 HydrophobicContact CZ2-CD2 3.96Å; W252-Y286 AromaticContact CZ2-CE2 3.58Å; W252-Y286 HydrophobicContact CZ2-CE2 3.58Å; W252-Y286 AromaticContact CZ2-CZ 3.91Å; W252-F288 AromaticContact CE2-CE2 3.84Å; W252-F288 AromaticContact CE2-CZ 3.8Å; W252-F288 HydrophobicContact CH2-CZ 4.42Å; W252-F288 AromaticContact CZ2-CE2 3.58Å; W252-F288 HydrophobicContact CZ2-CE2 3.58Å; W252-F288 AromaticContact CZ2-CZ 3.48Å; W252-F288 HydrophobicContact CZ2-CZ 3.48Å; W252-F288 VanDerWaalsContact CZ2-CZ 3.48Å; W252-F288 AromaticContact NE1-CE2 3.57Å; W252-F288 AromaticContact NE1-CZ 3.82Å
253	C	97.9	Very high	98.4	Very high	22 Å²	22	43.1 Å²	43.1	15%	0.149	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	174.8	170.5	58	0	0	0	0	111.1	D255 R256 V258	C253-D255 PolarHBondContact O-N 3.34Å; C253-R256 WeakPolarHBondContact O-CA 3.29Å; C253-R256 PolarHBondContact O-N 3.39Å; C253-V258 PolarHBondContact N-O 2.73Å; C253-V258 PolarHBondContact O-N 3.15Å
254	H	98.5	Very high	98.4	Very high	14 Å²	14	42.7 Å²	42.7	7%	0.065	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	52.4	52.4	175.9	-58.9	169.5	0	0	0	113.3	P205 D206 F222 G223 Q224 A227 R256 Q257 V258	P205-H254 VanDerWaalsContact CB-CE1 3.46Å; P205-H254 WeakPolarHBondContact CB-CE1 3.46Å; D206-H254 PolarHBondContact O-NE2 3.27Å; F222-H254 AromaticContact CD2-CE1 3.86Å; F222-H254 AromaticContact CE2-CE1 3.92Å; F222-H254 PolarHBondContact O-CE1 3.08Å; F222-H254 PolarHBondContact O-NE2 3.33Å; G223-H254 VanDerWaalsContact C-CE1 3.49Å; Q224-H254 HydrophobicContact CB-CB 3.79Å; Q224-H254 HydrophobicContact CG-CB 3.89Å; A227-H254 HydrophobicContact CB-CB 4.36Å; H254-R256 PolarHBondContact O-N 3.5Å; H254-R256 VanDerWaalsContact O-N 3.15Å; H254-Q257 HydrophobicContact CB-CB 4.18Å; H254-Q257 WeakPolarHBondContact O-CB 3.5Å; H254-Q257 WeakPolarHBondContact O-CG 3.36Å; H254-Q257 PolarHBondContact O-N 3.22Å; H254-V258 HydrophobicContact CB-CG2 4.24Å
255	D	97.8	Very high	98.4	Very high	124 Å²	124	40.3 Å²	40.3	66%	0.663	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	47.6	43.7	-175.9	-161.5	28.5	0	0	0	114.1	C253 Q257	C253-D255 PolarHBondContact O-N 3.34Å; D255-Q257 PolarHBondContact O-N 3.5Å
256	R	97.8	Very high	98.3	Very high	143 Å²	143	38.9 Å²	38.9	54%	0.54	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	64.3	16.7	-177.8	-55.1	-175.3	172.5	-155.2	-1.8	115.6	W252 C253 H254 V258 Y286	W252-R256 HydrophobicContact CD2-CB 4.49Å; W252-R256 HydrophobicContact CD2-CG 4.22Å; W252-R256 HydrophobicContact CE3-CB 3.77Å; W252-R256 HydrophobicContact CE3-CG 3.98Å; W252-R256 HydrophobicContact CG-CG 4.47Å; W252-R256 HydrophobicContact CZ3-CB 3.96Å; C253-R256 WeakPolarHBondContact O-CA 3.29Å; C253-R256 PolarHBondContact O-N 3.39Å; H254-R256 PolarHBondContact O-N 3.5Å; H254-R256 VanDerWaalsContact O-N 3.15Å; R256-V258 PolarHBondContact O-N 3.35Å; R256-Y286 PolarHBondContact NH1-OH 2.99Å
257	Q	98.4	Very high	98.3	Very high	49 Å²	49	39.4 Å²	39.4	23%	0.229	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.1	167.8	-63.1	-60.8	-42.8	0	0	112.3	A227 E228 N231 I239 H254 D255	A227-Q257 HydrophobicContact CB-CB 4.03Å; E228-Q257 HydrophobicContact CG-CG 3.74Å; N231-Q257 PolarHBondContact ND2-O 2.81Å; N231-Q257 PolarHBondContact ND2-OE1 3.34Å; I239-Q257 PolarHBondContact N-O 3.13Å; H254-Q257 HydrophobicContact CB-CB 4.18Å; H254-Q257 WeakPolarHBondContact O-CB 3.5Å; H254-Q257 WeakPolarHBondContact O-CG 3.36Å; H254-Q257 PolarHBondContact O-N 3.22Å; D255-Q257 PolarHBondContact O-N 3.5Å
258	V	98.9	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.3	-177.5	-174.7	0	0	0	0	110.4	P205 F222 A227 I239 R241 C253 H254 R256	P205-V258 HydrophobicContact CB-CG1 4.5Å; F222-V258 HydrophobicContact CE2-CG2 4.08Å; A227-V258 HydrophobicContact CB-CG2 3.71Å; I239-V258 HydrophobicContact CB-CG2 4.21Å; I239-V258 HydrophobicContact CD1-CG2 4.24Å; I239-V258 HydrophobicContact CG2-CG1 4.38Å; I239-V258 CarbonylContact O-C 3.56Å; I239-V258 WeakPolarHBondContact O-CA 3.46Å; R241-V258 HydrophobicContact CG-CG1 3.97Å; C253-V258 PolarHBondContact N-O 2.73Å; C253-V258 PolarHBondContact O-N 3.15Å; H254-V258 HydrophobicContact CB-CG2 4.24Å; R256-V258 PolarHBondContact O-N 3.35Å
259	V	98.9	Very high	97.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.3	165.9	68.9	0	0	0	0	110.2	L238 I239 R241 N251 W252 I261 M278 F288	L238-V259 HydrophobicContact CD1-CB 4.3Å; L238-V259 HydrophobicContact CD1-CG1 4.06Å; L238-V259 HydrophobicContact CD2-CG1 3.95Å; L238-V259 HydrophobicContact CG-CG1 4.3Å; I239-V259 PolarHBondContact O-N 3Å; R241-V259 PolarHBondContact N-O 3.45Å; N251-V259 WeakPolarHBondContact O-CA 3.47Å; W252-V259 HydrophobicContact CD2-CB 4.12Å; W252-V259 HydrophobicContact CD2-CG2 4.02Å; W252-V259 HydrophobicContact CE3-CB 3.73Å; W252-V259 HydrophobicContact CE3-CG2 4.16Å; W252-V259 HydrophobicContact CH2-CB 4.03Å; W252-V259 HydrophobicContact CH2-CG1 4.45Å; W252-V259 HydrophobicContact CH2-CG2 4.44Å; W252-V259 HydrophobicContact CZ2-CB 4.36Å; W252-V259 HydrophobicContact CZ2-CG2 4.27Å; W252-V259 HydrophobicContact CZ3-CB 3.72Å; W252-V259 HydrophobicContact CZ3-CG1 4.42Å; W252-V259 HydrophobicContact CZ3-CG2 4.4Å; V259-I261 HydrophobicContact CG1-CD1 4.43Å; V259-I261 HydrophobicContact CG1-CG1 4.43Å; V259-I261 HydrophobicContact CG2-CG1 4.32Å; V259-M278 HydrophobicContact CG1-SD 4.3Å; V259-F288 HydrophobicContact CG2-CE1 3.91Å; V259-F288 HydrophobicContact CG2-CZ 3.84Å
260	T	98.9	Very high	97.2	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.7	167.5	-60.4	0	0	0	0	108.9	R241 Q244 V246 Y250 N251	R241-T260 VanDerWaalsContact CD-OG1 3.31Å; R241-T260 WeakPolarHBondContact CD-OG1 3.43Å; R241-T260 CarbonylContact O-C 3.09Å; R241-T260 VanDerWaalsContact O-CA 3.27Å; R241-T260 WeakPolarHBondContact O-CA 3.42Å; Q244-T260 HydrophobicContact CB-CG2 4.12Å; Q244-T260 WeakPolarHBondContact O-CG2 3.28Å; V246-T260 HydrophobicContact CG1-CG2 3.86Å; V246-T260 HydrophobicContact CG2-CG2 4.26Å; Y250-T260 CarbonylContact C-O 3.59Å; Y250-T260 WeakPolarHBondContact CA-O 3.48Å; Y250-T260 WeakPolarHBondContact CB-O 3.23Å; N251-T260 PolarHBondContact N-O 2.83Å; N251-T260 PolarHBondContact O-N 2.88Å
261	I	98.9	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.2	175.7	-56	166.1	0	0	0	108.1	V56 G58 M85 S240 R241 A242 V259 A276 M278 F288	V56-I261 HydrophobicContact CB-CD1 4.35Å; V56-I261 HydrophobicContact CG1-CD1 4.07Å; G58-I261 WeakPolarHBondContact CA-O 3.34Å; M85-I261 HydrophobicContact CE-CB 3.85Å; M85-I261 HydrophobicContact CE-CD1 3.99Å; M85-I261 HydrophobicContact CE-CG1 4.34Å; S240-I261 WeakPolarHBondContact OG-CD1 3.48Å; R241-I261 PolarHBondContact O-N 3.34Å; A242-I261 WeakPolarHBondContact CA-O 3.21Å; V259-I261 HydrophobicContact CG1-CD1 4.43Å; V259-I261 HydrophobicContact CG1-CG1 4.43Å; V259-I261 HydrophobicContact CG2-CG1 4.32Å; I261-A276 WeakPolarHBondContact CG2-O 3.37Å; I261-M278 HydrophobicContact CD1-CB 3.42Å; I261-M278 VanDerWaalsContact CD1-CB 3.42Å; I261-M278 HydrophobicContact CD1-CE 4.01Å; I261-M278 HydrophobicContact CD1-CG 4.36Å; I261-M278 HydrophobicContact CD1-SD 4.12Å; I261-M278 HydrophobicContact CG1-CB 4.41Å; I261-F288 HydrophobicContact CG1-CE1 4.34Å
262	F	98.8	Very high	96.8	Very high	2 Å²	2	38 Å²	38	1%	0.009	19%	0.188	C	C	.	.			trans	-131.5	120.8	-178.7	-165.6	-95.2	0	0	0	109.2	D59 Q244 L245 V246 G249 A264 Y267 A275 A276	D59-F262 HydrophobicContact CB-CD2 3.93Å; D59-F262 HydrophobicContact CB-CE2 3.66Å; D59-F262 HydrophobicContact CB-CZ 4.25Å; D59-F262 WeakPolarHBondContact OD2-CE2 3.33Å; Q244-F262 WeakPolarHBondContact O-CD2 2.99Å; L245-F262 HydrophobicContact CB-CE1 4.46Å; L245-F262 HydrophobicContact CB-CE2 4.24Å; L245-F262 HydrophobicContact CB-CZ 4.19Å; L245-F262 HydrophobicContact CD1-CE1 4.32Å; L245-F262 HydrophobicContact CD1-CZ 4.42Å; L245-F262 HydrophobicContact CG-CE1 4.3Å; L245-F262 HydrophobicContact CG-CZ 4.46Å; V246-F262 HydrophobicContact CG2-CB 3.96Å; G249-F262 PolarHBondContact O-N 3.49Å; G249-F262 VanDerWaalsContact O-O 3.14Å; F262-A264 HydrophobicContact CD1-CB 4.4Å; F262-A264 HydrophobicContact CE1-CB 3.74Å; F262-A264 WeakPolarHBondContact CE1-O 3.46Å; F262-A264 HydrophobicContact CZ-CB 4.15Å; F262-Y267 HydrophobicContact CE1-CD2 4.28Å; F262-Y267 HydrophobicContact CE1-CG 4.1Å; F262-Y267 HydrophobicContact CZ-CD1 4.21Å; F262-Y267 AromaticContact CZ-CD2 3.88Å; F262-Y267 HydrophobicContact CZ-CD2 3.88Å; F262-Y267 HydrophobicContact CZ-CE2 4.26Å; F262-Y267 AromaticContact CZ-CG 3.83Å; F262-Y267 HydrophobicContact CZ-CG 3.83Å; F262-A275 CarbonylContact O-C 3.45Å; F262-A275 VanDerWaalsContact O-CA 3.29Å; F262-A275 WeakPolarHBondContact O-CA 3.37Å; F262-A276 PolarHBondContact O-N 3.01Å
263	S	98.8	Very high	96.8	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	18%	0.179	C	C	.	.			trans	-109.8	12.2	-167.4	-58.8	0	0	0	0	114.1	G58 D59 P265 A276	G58-S263 PolarHBondContact N-OG 2.76Å; D59-S263 CarbonylContact O-C 3.53Å; D59-S263 VanDerWaalsContact O-CA 3.26Å; D59-S263 WeakPolarHBondContact O-CA 3.31Å; D59-S263 WeakPolarHBondContact O-CB 3.43Å; D59-S263 PolarHBondContact O-N 2.68Å; D59-S263 VanDerWaalsContact O-N 3.16Å; S263-P265 WeakPolarHBondContact O-CD 3.44Å; S263-A276 PolarHBondContact OG-O 3.35Å
264	A	98.5	Very high	96.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	18%	0.182	C	C	.	.			trans	-107.9	96.6	176.6	0	0	0	0	0	111.1	D59 F262 Y267 N273	D59-A264 PolarHBondContact O-N 3.09Å; F262-A264 HydrophobicContact CD1-CB 4.4Å; F262-A264 HydrophobicContact CE1-CB 3.74Å; F262-A264 WeakPolarHBondContact CE1-O 3.46Å; F262-A264 HydrophobicContact CZ-CB 4.15Å; A264-Y267 HydrophobicContact CB-CD2 4.11Å; A264-N273 PolarHBondContact O-ND2 3.17Å
265	P	97.9	Very high	96.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	148.1	-176.1	32.3	-36	0	0	0	110.4	Q63 D66 S263 Y267 A275 F291 P293	Q63-P265 PolarHBondContact NE2-O 3.31Å; D66-P265 HydrophobicContact CB-CG 3.71Å; S263-P265 WeakPolarHBondContact O-CD 3.44Å; P265-Y267 VanDerWaalsContact C-N 3.27Å; P265-Y267 PolarHBondContact O-N 3.19Å; P265-A275 HydrophobicContact CB-CB 3.68Å; P265-A275 HydrophobicContact CG-CB 4.01Å; P265-F291 HydrophobicContact CG-CD2 4.21Å; P265-F291 HydrophobicContact CG-CE2 3.92Å; P265-P293 HydrophobicContact CB-CB 4.41Å; P265-P293 HydrophobicContact CB-CG 3.87Å; P265-P293 HydrophobicContact CG-CB 4.28Å; P265-P293 HydrophobicContact CG-CG 4.28Å
266	N	96.5	Very high	96.9	Very high	31 Å²	31	30.3 Å²	30.3	17%	0.166	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.1	55.4	-173.4	-176.9	37.2	0	0	0	112	Y269 R270 C271 G272 N273 P293	N266-Y269 PolarHBondContact ND2-O 3.13Å; N266-Y269 WeakPolarHBondContact O-CA 3.37Å; N266-Y269 PolarHBondContact O-N 2.96Å; N266-R270 PolarHBondContact OD1-N 3.24Å; N266-C271 PolarHBondContact OD1-N 3.35Å; N266-G272 WeakPolarHBondContact OD1-CA 3.49Å; N266-G272 PolarHBondContact OD1-N 2.94Å; N266-N273 PolarHBondContact N-O 3.47Å; N266-N273 PolarHBondContact N-OD1 3.26Å; N266-P293 HydrophobicContact CB-CB 4.43Å; N266-P293 HydrophobicContact CB-CG 3.38Å
267	Y	96.3	Very high	96.9	Very high	30 Å²	30	23.5 Å²	23.5	12%	0.118	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-48.9	140.5	-171.4	-178.2	-125.8	0	0	0	113	H61 R91 L245 F262 A264 P265 Y269 R270 C271 N273	H61-Y267 HydrophobicContact CB-CD2 4.48Å; H61-Y267 HydrophobicContact CB-CE2 3.74Å; H61-Y267 AromaticContact CD2-CE2 3.17Å; H61-Y267 WeakPolarHBondContact CD2-CE2 3.45Å; H61-Y267 AromaticContact CD2-CZ 3.54Å; H61-Y267 PolarHBondContact CD2-OH 3.24Å; H61-Y267 VanDerWaalsContact CD2-OH 3.25Å; H61-Y267 AromaticContact CG-CE2 3.61Å; H61-Y267 AromaticContact NE2-CE2 3.86Å; H61-Y267 AromaticContact NE2-CZ 3.72Å; H61-Y267 PolarHBondContact NE2-OH 3.03Å; R91-Y267 HydrophobicContact CB-CE2 4.37Å; R91-Y267 HydrophobicContact CG-CE2 4.21Å; R91-Y267 WeakPolarHBondContact CG-OH 3.2Å; L245-Y267 HydrophobicContact CD1-CD1 3.63Å; L245-Y267 HydrophobicContact CD1-CG 3.99Å; F262-Y267 HydrophobicContact CE1-CD2 4.28Å; F262-Y267 HydrophobicContact CE1-CG 4.1Å; F262-Y267 HydrophobicContact CZ-CD1 4.21Å; F262-Y267 AromaticContact CZ-CD2 3.88Å; F262-Y267 HydrophobicContact CZ-CD2 3.88Å; F262-Y267 HydrophobicContact CZ-CE2 4.26Å; F262-Y267 AromaticContact CZ-CG 3.83Å; F262-Y267 HydrophobicContact CZ-CG 3.83Å; A264-Y267 HydrophobicContact CB-CD2 4.11Å; P265-Y267 VanDerWaalsContact C-N 3.27Å; P265-Y267 PolarHBondContact O-N 3.19Å; Y267-Y269 PolarHBondContact O-N 2.88Å; Y267-R270 PolarHBondContact O-N 3.07Å; Y267-C271 PolarHBondContact O-N 2.86Å; Y267-C271 PolarHBondContact O-SG 2.81Å; Y267-C271 VanDerWaalsContact O-SG 3.37Å; Y267-N273 WeakPolarHBondContact CB-OD1 3.36Å; Y267-N273 PolarHBondContact N-OD1 2.84Å
268	C	91.1	Very high	96.9	Very high	10 Å²	10	21.2 Å²	21.2	7%	0.068	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	52.3	25.9	-174.5	-66.1	0	0	0	0	113.2	R270 F310	C268-R270 HydrophobicContact CB-CG 4.15Å; C268-R270 PolarHBondContact O-N 3.5Å; C268-F310 HydrophobicContact CB-CB 4.38Å; C268-F310 HydrophobicContact CB-CD1 3.79Å; C268-F310 HydrophobicContact CB-CE1 4.38Å; C268-F310 HydrophobicContact CB-CG 4.38Å
269	Y	90	Very high	96.9	Very high	73 Å²	73	23.8 Å²	23.8	29%	0.286	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	61.3	17.1	-177.6	-44.6	-70.9	0	0	0	115.1	Y93 N266 Y267 F310	Y93-Y269 AromaticContact CD2-CE2 3.7Å; Y93-Y269 HydrophobicContact CD2-CE2 3.7Å; Y93-Y269 AromaticContact CD2-CZ 3.77Å; Y93-Y269 WeakPolarHBondContact CD2-OH 3.43Å; Y93-Y269 HydrophobicContact CE2-CD2 4.12Å; Y93-Y269 AromaticContact CE2-CE2 3.41Å; Y93-Y269 HydrophobicContact CE2-CE2 3.41Å; Y93-Y269 VanDerWaalsContact CE2-CE2 3.41Å; Y93-Y269 AromaticContact CE2-CZ 3.91Å; N266-Y269 PolarHBondContact ND2-O 3.13Å; N266-Y269 WeakPolarHBondContact O-CA 3.37Å; N266-Y269 PolarHBondContact O-N 2.96Å; Y267-Y269 PolarHBondContact O-N 2.88Å; Y269-F310 HydrophobicContact CD2-CE2 4.45Å; Y269-F310 HydrophobicContact CD2-CZ 4.19Å; Y269-F310 HydrophobicContact CE2-CE1 4.45Å; Y269-F310 AromaticContact CE2-CZ 3.92Å; Y269-F310 HydrophobicContact CE2-CZ 3.92Å
270	R	91.7	Very high	96.9	Very high	138 Å²	138	24 Å²	24	52%	0.521	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.9	-23.1	-170.5	68.8	-178.9	-62	-155	-4	116.5	N266 Y267 C268 G272 F310 L311	N266-R270 PolarHBondContact OD1-N 3.24Å; Y267-R270 PolarHBondContact O-N 3.07Å; C268-R270 HydrophobicContact CB-CG 4.15Å; C268-R270 PolarHBondContact O-N 3.5Å; R270-G272 VanDerWaalsContact C-N 3.32Å; R270-G272 PolarHBondContact O-N 3.39Å; R270-F310 VanDerWaalsContact CD-O 3.28Å; R270-F310 WeakPolarHBondContact CD-O 3.35Å; R270-F310 PolarHBondContact NH1-O 2.93Å; R270-L311 VanDerWaalsContact NH1-CA 3.34Å; R270-L311 PolarHBondContact NH1-OXT 3.02Å
271	C	93.8	Very high	96.9	Very high	51 Å²	51	27.3 Å²	27.3	35%	0.345	14%	0.142	S	C	.	.	S	Bend	trans	-75.3	-20.7	-170.8	-68.1	0	0	0	0	113.5	L245 N266 Y267 N273	L245-C271 HydrophobicContact CD1-CB 3.56Å; N266-C271 PolarHBondContact OD1-N 3.35Å; Y267-C271 PolarHBondContact O-N 2.86Å; Y267-C271 PolarHBondContact O-SG 2.81Å; Y267-C271 VanDerWaalsContact O-SG 3.37Å; C271-N273 WeakPolarHBondContact CB-OD1 3.29Å; C271-N273 PolarHBondContact O-N 3.37Å
272	G	95.6	Very high	96.7	Very high	52 Å²	52	33.2 Å²	33.2	54%	0.536	17%	0.174	S	C	.	.			trans	68.5	12.5	176.5	0	0	0	0	0	115.5	N266 R270	N266-G272 WeakPolarHBondContact OD1-CA 3.49Å; N266-G272 PolarHBondContact OD1-N 2.94Å; R270-G272 VanDerWaalsContact C-N 3.32Å; R270-G272 PolarHBondContact O-N 3.39Å
273	N	98.3	Very high	96.6	Very high	2 Å²	2	41 Å²	41	1%	0.011	21%	0.212	C	C	.	.			trans	-73.1	153.8	173.9	64.5	-71.3	0	0	0	111.9	L245 M247 A264 N266 Y267 C271	L245-N273 HydrophobicContact CD2-CB 4.28Å; L245-N273 HydrophobicContact CG-CB 4.42Å; M247-N273 HydrophobicContact CE-CB 4.18Å; M247-N273 CarbonylContact O-C 3.57Å; M247-N273 VanDerWaalsContact O-CA 3.31Å; M247-N273 WeakPolarHBondContact O-CA 3.49Å; M247-N273 HydrophobicContact SD-CB 4.09Å; A264-N273 PolarHBondContact O-ND2 3.17Å; N266-N273 PolarHBondContact N-O 3.47Å; N266-N273 PolarHBondContact N-OD1 3.26Å; Y267-N273 WeakPolarHBondContact CB-OD1 3.36Å; Y267-N273 PolarHBondContact N-OD1 2.84Å; C271-N273 WeakPolarHBondContact CB-OD1 3.29Å; C271-N273 PolarHBondContact O-N 3.37Å
274	Q	98.1	Very high	96.4	Very high	49 Å²	49	42 Å²	42	23%	0.229	22%	0.217	C	C	.	.			trans	-76	165.2	159.2	-56.2	-162.4	-76.2	0	0	110.1	M247 E248 G249 Q290 D292	M247-Q274 PolarHBondContact O-N 3.48Å; E248-Q274 PolarHBondContact OE2-OE1 3.32Å; G249-Q274 WeakPolarHBondContact CA-O 3.48Å; G249-Q274 PolarHBondContact N-O 3.49Å; Q274-Q290 VanDerWaalsContact OE1-NE2 3.1Å; Q274-D292 PolarHBondContact NE2-OD1 3.26Å
275	A	98.6	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	160	165.2	0	0	0	0	0	110.5	F262 P265 Q290 F291	F262-A275 CarbonylContact O-C 3.45Å; F262-A275 VanDerWaalsContact O-CA 3.29Å; F262-A275 WeakPolarHBondContact O-CA 3.37Å; P265-A275 HydrophobicContact CB-CB 3.68Å; P265-A275 HydrophobicContact CG-CB 4.01Å; A275-Q290 CarbonylContact O-C 3.6Å; A275-Q290 VanDerWaalsContact O-CA 3.23Å; A275-Q290 WeakPolarHBondContact O-CA 3.25Å; A275-F291 HydrophobicContact CB-CD1 4.01Å; A275-F291 HydrophobicContact CB-CD2 4.02Å; A275-F291 HydrophobicContact CB-CE1 3.53Å; A275-F291 HydrophobicContact CB-CE2 3.55Å; A275-F291 HydrophobicContact CB-CG 4.23Å; A275-F291 HydrophobicContact CB-CZ 3.29Å; A275-F291 PolarHBondContact N-O 2.79Å; A275-F291 PolarHBondContact O-N 2.98Å
276	A	98.7	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.9	171.1	0	0	0	0	0	112.6	G249 Y250 I261 F262 S263 L289 Q290	G249-A276 VanDerWaalsContact C-CB 3.48Å; G249-A276 WeakPolarHBondContact O-CB 3.4Å; Y250-A276 HydrophobicContact CD1-CB 3.97Å; Y250-A276 HydrophobicContact CG-CB 4.47Å; I261-A276 WeakPolarHBondContact CG2-O 3.37Å; F262-A276 PolarHBondContact O-N 3.01Å; S263-A276 PolarHBondContact OG-O 3.35Å; A276-L289 CarbonylContact C-O 3.52Å; A276-L289 WeakPolarHBondContact CA-O 3.47Å; A276-Q290 HydrophobicContact CB-CG 4.2Å
277	I	98.7	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.2	164.4	54.7	-178.2	0	0	0	108.8	T55 C57 L70 F288 L289 F291	T55-I277 HydrophobicContact CG2-CB 3.91Å; T55-I277 HydrophobicContact CG2-CD1 3.82Å; T55-I277 HydrophobicContact CG2-CG1 4.21Å; T55-I277 HydrophobicContact CG2-CG2 4.43Å; C57-I277 HydrophobicContact CB-CG2 4.27Å; C57-I277 VanDerWaalsContact SG-CG2 3.6Å; L70-I277 HydrophobicContact CD1-CG2 3.75Å; L70-I277 HydrophobicContact CD2-CG2 4.38Å; L70-I277 HydrophobicContact CG-CG2 3.75Å; I277-F288 WeakPolarHBondContact O-CA 3.26Å; I277-L289 HydrophobicContact CD1-CB 4.26Å; I277-L289 HydrophobicContact CD1-CD1 4.16Å; I277-L289 HydrophobicContact CG1-CB 3.82Å; I277-L289 HydrophobicContact CG1-CD1 4.48Å; I277-L289 PolarHBondContact N-O 3.04Å; I277-L289 PolarHBondContact O-N 3.43Å; I277-F291 HydrophobicContact CG2-CE1 4.33Å
278	M	98.8	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.2	174.7	179.3	-179.8	70.4	0	0	109.4	T55 V56 L238 S240 V259 I261 L280 S287 F288	T55-M278 CarbonylContact C-O 3.06Å; T55-M278 WeakPolarHBondContact CA-O 3.5Å; V56-M278 HydrophobicContact CB-CB 4.31Å; V56-M278 HydrophobicContact CB-CE 3.86Å; V56-M278 HydrophobicContact CG1-CE 4.22Å; V56-M278 HydrophobicContact CG2-CE 3.7Å; V56-M278 PolarHBondContact N-O 3.48Å; V56-M278 PolarHBondContact O-N 3.22Å; L238-M278 HydrophobicContact CD2-SD 4.43Å; S240-M278 WeakPolarHBondContact OG-CE 3.2Å; V259-M278 HydrophobicContact CG1-SD 4.3Å; I261-M278 HydrophobicContact CD1-CB 3.42Å; I261-M278 VanDerWaalsContact CD1-CB 3.42Å; I261-M278 HydrophobicContact CD1-CE 4.01Å; I261-M278 HydrophobicContact CD1-CG 4.36Å; I261-M278 HydrophobicContact CD1-SD 4.12Å; I261-M278 HydrophobicContact CG1-CB 4.41Å; M278-L280 HydrophobicContact CE-CD1 4.06Å; M278-L280 HydrophobicContact CE-CD2 4.09Å; M278-L280 HydrophobicContact CE-CG 4.12Å; M278-L280 HydrophobicContact CG-CD2 4.38Å; M278-L280 HydrophobicContact SD-CD2 4.26Å; M278-S287 CarbonylContact C-O 3.6Å; M278-S287 WeakPolarHBondContact CA-O 3.33Å; M278-F288 HydrophobicContact CB-CD1 4.02Å; M278-F288 HydrophobicContact CB-CE1 3.77Å; M278-F288 HydrophobicContact CG-CD1 4.38Å; M278-F288 HydrophobicContact CG-CE1 3.88Å; M278-F288 HydrophobicContact CG-CZ 4.12Å; M278-F288 HydrophobicContact SD-CE1 4.08Å; M278-F288 HydrophobicContact SD-CZ 4.01Å
279	E	98.7	Very high	96.7	Very high	55 Å²	55	52.6 Å²	52.6	26%	0.257	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130	172.5	-62.6	179.2	136.5	0	0	109.2	T55 Y286 S287 L289	T55-E279 HydrophobicContact CG2-CG 4.45Å; E279-Y286 CarbonylContact O-C 3.58Å; E279-Y286 VanDerWaalsContact O-CA 3.26Å; E279-Y286 WeakPolarHBondContact O-CA 3.37Å; E279-S287 PolarHBondContact N-O 2.87Å; E279-S287 PolarHBondContact O-N 3.02Å; E279-S287 PolarHBondContact OE2-OG 3.27Å; E279-L289 VanDerWaalsContact CD-CD1 3.47Å; E279-L289 HydrophobicContact CG-CD1 4.25Å; E279-L289 WeakPolarHBondContact OE1-CD1 3.5Å
280	L	98.6	Very high	97.1	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.2	170.6	-61.7	173	0	0	0	108.4	C52 P53 V54 V56 V161 I165 M278 A285	C52-L280 VanDerWaalsContact SG-CB 3.56Å; P53-L280 CarbonylContact C-O 3.58Å; P53-L280 WeakPolarHBondContact CA-O 3.36Å; P53-L280 WeakPolarHBondContact CB-O 3.46Å; V54-L280 HydrophobicContact CG1-CB 4.15Å; V54-L280 HydrophobicContact CG1-CD1 3.91Å; V54-L280 HydrophobicContact CG1-CG 4.49Å; V54-L280 PolarHBondContact N-O 3.22Å; V54-L280 PolarHBondContact O-N 3.3Å; V56-L280 HydrophobicContact CG2-CD1 3.93Å; V56-L280 HydrophobicContact CG2-CG 4.44Å; V161-L280 HydrophobicContact CB-CD1 4.36Å; V161-L280 HydrophobicContact CG1-CD1 3.94Å; V161-L280 HydrophobicContact CG2-CD1 4.39Å; I165-L280 HydrophobicContact CD1-CD1 3.7Å; I165-L280 HydrophobicContact CD1-CD2 3.62Å; I165-L280 HydrophobicContact CD1-CG 4.33Å; M278-L280 HydrophobicContact CE-CD1 4.06Å; M278-L280 HydrophobicContact CE-CD2 4.09Å; M278-L280 HydrophobicContact CE-CG 4.12Å; M278-L280 HydrophobicContact CG-CD2 4.38Å; M278-L280 HydrophobicContact SD-CD2 4.26Å; L280-A285 WeakPolarHBondContact CA-O 2.89Å
281	D	97.8	Very high	97.4	Very high	72 Å²	72	46.4 Å²	46.4	39%	0.385	26%	0.257	S	S	.	.			trans	-80	178.8	178.5	79.3	2	0	0	0	112.7	C52 M283 L284 A285	C52-D281 WeakPolarHBondContact CB-O 3.17Å; C52-D281 PolarHBondContact SG-O 3.07Å; D281-M283 PolarHBondContact O-N 3.38Å; D281-M283 VanDerWaalsContact OD1-C 3.26Å; D281-M283 VanDerWaalsContact OD1-CA 3.3Å; D281-M283 WeakPolarHBondContact OD1-CA 3.48Å; D281-M283 WeakPolarHBondContact OD1-CB 2.99Å; D281-M283 PolarHBondContact OD1-N 3.48Å; D281-L284 PolarHBondContact O-N 2.98Å; D281-L284 PolarHBondContact OD1-N 3.49Å; D281-L284 VanDerWaalsContact OD1-N 3.08Å; D281-A285 PolarHBondContact N-O 3.29Å; D281-A285 WeakPolarHBondContact OD1-CB 3.21Å; D281-A285 PolarHBondContact OD1-N 3.42Å; D281-A285 WeakPolarHBondContact OD2-CB 3.49Å
282	D	95.9	Very high	97.6	Very high	125 Å²	125	48.7 Å²	48.7	67%	0.668	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-18.3	178.8	-61.9	-67.7	0	0	0	114.2	P53	P53-D282 VanDerWaalsContact CD-OD1 3.32Å; P53-D282 WeakPolarHBondContact CD-OD1 3.4Å
283	M	96	Very high	97.5	Very high	165 Å²	165	48.8 Å²	48.8	81%	0.813	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	13.3	-178.4	-65.8	-63.8	-67.5	0	0	112.5	D281 A285	D281-M283 PolarHBondContact O-N 3.38Å; D281-M283 VanDerWaalsContact OD1-C 3.26Å; D281-M283 VanDerWaalsContact OD1-CA 3.3Å; D281-M283 WeakPolarHBondContact OD1-CA 3.48Å; D281-M283 WeakPolarHBondContact OD1-CB 2.99Å; D281-M283 PolarHBondContact OD1-N 3.48Å; M283-A285 PolarHBondContact O-N 2.83Å
284	L	94.5	Very high	97.3	Very high	25 Å²	25	49.5 Å²	49.5	13%	0.131	26%	0.263	C	S	.	.			trans	66	12.9	-177.3	-129.9	84.9	0	0	0	114.8	C52 D162 Q164 I165 D281	C52-L284 HydrophobicContact CB-CD1 4.44Å; C52-L284 WeakPolarHBondContact SG-CD1 3.38Å; D162-L284 HydrophobicContact CB-CD1 3.62Å; Q164-L284 HydrophobicContact CB-CD2 3.67Å; Q164-L284 HydrophobicContact CG-CD2 4.34Å; I165-L284 HydrophobicContact CD1-CD2 3.88Å; I165-L284 HydrophobicContact CD1-CG 4.01Å; I165-L284 HydrophobicContact CG1-CD2 3.93Å; D281-L284 PolarHBondContact O-N 2.98Å; D281-L284 PolarHBondContact OD1-N 3.49Å; D281-L284 VanDerWaalsContact OD1-N 3.08Å
285	A	96.9	Very high	96.7	Very high	52 Å²	52	52.4 Å²	52.4	43%	0.43	29%	0.286	S	S	.	.			trans	-71.5	133.9	173.2	0	0	0	0	0	109	L280 D281 M283	L280-A285 WeakPolarHBondContact CA-O 2.89Å; D281-A285 PolarHBondContact N-O 3.29Å; D281-A285 WeakPolarHBondContact OD1-CB 3.21Å; D281-A285 PolarHBondContact OD1-N 3.42Å; D281-A285 WeakPolarHBondContact OD2-CB 3.49Å; M283-A285 PolarHBondContact O-N 2.83Å
286	Y	96.8	Very high	95.3	Very high	100 Å²	100	60 Å²	60	39%	0.392	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.7	-178.6	53.2	-99.8	0	0	0	112.5	W252 R256 E279 F288	W252-Y286 HydrophobicContact CH2-CE1 4.29Å; W252-Y286 HydrophobicContact CH2-CE2 4.12Å; W252-Y286 AromaticContact CH2-CZ 3.99Å; W252-Y286 AromaticContact CZ2-CD2 3.96Å; W252-Y286 HydrophobicContact CZ2-CD2 3.96Å; W252-Y286 AromaticContact CZ2-CE2 3.58Å; W252-Y286 HydrophobicContact CZ2-CE2 3.58Å; W252-Y286 AromaticContact CZ2-CZ 3.91Å; R256-Y286 PolarHBondContact NH1-OH 2.99Å; E279-Y286 CarbonylContact O-C 3.58Å; E279-Y286 VanDerWaalsContact O-CA 3.26Å; E279-Y286 WeakPolarHBondContact O-CA 3.37Å; Y286-F288 AromaticContact CD2-CE2 3.86Å; Y286-F288 HydrophobicContact CD2-CE2 3.86Å; Y286-F288 HydrophobicContact CE2-CE2 4.39Å
287	S	97.6	Very high	93.3	Very high	55 Å²	55	71.6 Å²	71.6	39%	0.385	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.1	163.7	45.3	0	0	0	0	110.5	M278 E279	M278-S287 CarbonylContact C-O 3.6Å; M278-S287 WeakPolarHBondContact CA-O 3.33Å; E279-S287 PolarHBondContact N-O 2.87Å; E279-S287 PolarHBondContact O-N 3.02Å; E279-S287 PolarHBondContact OE2-OG 3.27Å
288	F	98.5	Very high	91	Very high	40 Å²	40	74.9 Å²	74.9	18%	0.175	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.9	175.5	-63.7	-88	0	0	0	109.7	Y250 W252 V259 I261 I277 M278 Y286	Y250-F288 HydrophobicContact CD1-CB 4.16Å; Y250-F288 HydrophobicContact CD1-CD1 4.15Å; Y250-F288 HydrophobicContact CD1-CG 4.2Å; Y250-F288 AromaticContact CD2-CD1 3.7Å; Y250-F288 HydrophobicContact CD2-CD1 3.7Å; Y250-F288 HydrophobicContact CD2-CD2 4.05Å; Y250-F288 AromaticContact CD2-CE1 3.8Å; Y250-F288 HydrophobicContact CD2-CE1 3.8Å; Y250-F288 HydrophobicContact CD2-CE2 4.16Å; Y250-F288 AromaticContact CD2-CG 3.84Å; Y250-F288 HydrophobicContact CD2-CG 3.84Å; Y250-F288 HydrophobicContact CD2-CZ 4.05Å; Y250-F288 HydrophobicContact CE1-CB 4.07Å; Y250-F288 HydrophobicContact CE1-CG 4.31Å; Y250-F288 HydrophobicContact CE2-CD1 4.3Å; Y250-F288 AromaticContact CE2-CD2 3.88Å; Y250-F288 HydrophobicContact CE2-CD2 3.88Å; Y250-F288 HydrophobicContact CE2-CE2 4.19Å; Y250-F288 AromaticContact CE2-CG 3.96Å; Y250-F288 HydrophobicContact CE2-CG 3.96Å; Y250-F288 HydrophobicContact CG-CB 4.43Å; Y250-F288 AromaticContact CG-CD1 3.62Å; Y250-F288 HydrophobicContact CG-CD1 3.62Å; Y250-F288 HydrophobicContact CG-CE1 4.02Å; Y250-F288 AromaticContact CG-CG 3.97Å; Y250-F288 HydrophobicContact CG-CG 3.97Å; W252-F288 AromaticContact CE2-CE2 3.84Å; W252-F288 AromaticContact CE2-CZ 3.8Å; W252-F288 HydrophobicContact CH2-CZ 4.42Å; W252-F288 AromaticContact CZ2-CE2 3.58Å; W252-F288 HydrophobicContact CZ2-CE2 3.58Å; W252-F288 AromaticContact CZ2-CZ 3.48Å; W252-F288 HydrophobicContact CZ2-CZ 3.48Å; W252-F288 VanDerWaalsContact CZ2-CZ 3.48Å; W252-F288 AromaticContact NE1-CE2 3.57Å; W252-F288 AromaticContact NE1-CZ 3.82Å; V259-F288 HydrophobicContact CG2-CE1 3.91Å; V259-F288 HydrophobicContact CG2-CZ 3.84Å; I261-F288 HydrophobicContact CG1-CE1 4.34Å; I277-F288 WeakPolarHBondContact O-CA 3.26Å; M278-F288 HydrophobicContact CB-CD1 4.02Å; M278-F288 HydrophobicContact CB-CE1 3.77Å; M278-F288 HydrophobicContact CG-CD1 4.38Å; M278-F288 HydrophobicContact CG-CE1 3.88Å; M278-F288 HydrophobicContact CG-CZ 4.12Å; M278-F288 HydrophobicContact SD-CE1 4.08Å; M278-F288 HydrophobicContact SD-CZ 4.01Å; Y286-F288 AromaticContact CD2-CE2 3.86Å; Y286-F288 HydrophobicContact CD2-CE2 3.86Å; Y286-F288 HydrophobicContact CE2-CE2 4.39Å
289	L	98.1	Very high	88.6	Confident	48 Å²	48	80.7 Å²	80.7	25%	0.251	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.1	168.9	-59.5	179.4	0	0	0	108.3	A276 I277 E279	A276-L289 CarbonylContact C-O 3.52Å; A276-L289 WeakPolarHBondContact CA-O 3.47Å; I277-L289 HydrophobicContact CD1-CB 4.26Å; I277-L289 HydrophobicContact CD1-CD1 4.16Å; I277-L289 HydrophobicContact CG1-CB 3.82Å; I277-L289 HydrophobicContact CG1-CD1 4.48Å; I277-L289 PolarHBondContact N-O 3.04Å; I277-L289 PolarHBondContact O-N 3.43Å; E279-L289 VanDerWaalsContact CD-CD1 3.47Å; E279-L289 HydrophobicContact CG-CD1 4.25Å; E279-L289 WeakPolarHBondContact OE1-CD1 3.5Å
290	Q	98.3	Very high	86.2	Confident	70 Å²	70	81.2 Å²	81.2	33%	0.327	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	145.7	175.2	-64.3	173.8	-89.5	0	0	110.2	E248 Y250 Q274 A275 A276	E248-Q290 PolarHBondContact O-NE2 3.26Å; E248-Q290 PolarHBondContact OE2-NE2 3.49Å; Y250-Q290 HydrophobicContact CD1-CG 4.09Å; Y250-Q290 HydrophobicContact CE1-CG 3.88Å; Q274-Q290 VanDerWaalsContact OE1-NE2 3.1Å; A275-Q290 CarbonylContact O-C 3.6Å; A275-Q290 VanDerWaalsContact O-CA 3.23Å; A275-Q290 WeakPolarHBondContact O-CA 3.25Å; A276-Q290 HydrophobicContact CB-CG 4.2Å
291	F	97.9	Very high	83.5	Confident	10 Å²	10	89.6 Å²	89.6	4%	0.044	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150.4	177.2	63.3	-81.7	0	0	0	112.3	E69 L70 M73 P265 A275 I277	E69-F291 HydrophobicContact CB-CD2 4.33Å; E69-F291 HydrophobicContact CG-CD2 4.09Å; L70-F291 HydrophobicContact CB-CE2 4.47Å; L70-F291 HydrophobicContact CB-CZ 3.98Å; L70-F291 HydrophobicContact CD1-CZ 4.32Å; L70-F291 HydrophobicContact CG-CZ 4.38Å; M73-F291 HydrophobicContact CG-CB 4.31Å; P265-F291 HydrophobicContact CG-CD2 4.21Å; P265-F291 HydrophobicContact CG-CE2 3.92Å; A275-F291 HydrophobicContact CB-CD1 4.01Å; A275-F291 HydrophobicContact CB-CD2 4.02Å; A275-F291 HydrophobicContact CB-CE1 3.53Å; A275-F291 HydrophobicContact CB-CE2 3.55Å; A275-F291 HydrophobicContact CB-CG 4.23Å; A275-F291 HydrophobicContact CB-CZ 3.29Å; A275-F291 PolarHBondContact N-O 2.79Å; A275-F291 PolarHBondContact O-N 2.98Å; I277-F291 HydrophobicContact CG2-CE1 4.33Å
292	D	96.8	Very high	81.1	Confident	99 Å²	99	89.3 Å²	89.3	53%	0.529	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-92.9	167.9	177.1	-68.9	-38	0	0	0	110.7	Q274	Q274-D292 PolarHBondContact NE2-OD1 3.26Å
293	P	95.1	Very high	78.7	Confident	54 Å²	54	89.6 Å²	89.6	35%	0.351	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-58.5	142.9	179.2	-21	31.1	0	0	0	112.7	D66 P265 N266	D66-P293 WeakPolarHBondContact OD1-CA 3.48Å; P265-P293 HydrophobicContact CB-CB 4.41Å; P265-P293 HydrophobicContact CB-CG 3.87Å; P265-P293 HydrophobicContact CG-CB 4.28Å; P265-P293 HydrophobicContact CG-CG 4.28Å; N266-P293 HydrophobicContact CB-CB 4.43Å; N266-P293 HydrophobicContact CB-CG 3.38Å
294	A	92.7	Very high	76.5	Confident	17 Å²	17	91.8 Å²	91.8	14%	0.14	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-56.9	145.9	176.8	0	0	0	0	0	111	H65 D66 E69 R296	H65-A294 HydrophobicContact CB-CB 4.07Å; H65-A294 WeakPolarHBondContact O-CB 3.43Å; D66-A294 WeakPolarHBondContact OD1-CB 3.41Å; D66-A294 PolarHBondContact OD1-N 3.34Å; E69-A294 HydrophobicContact CB-CB 4.46Å; A294-R296 PolarHBondContact O-N 2.92Å; A294-R296 VanDerWaalsContact O-N 3.12Å
295	P	85.3	Confident	74.8	Confident	110 Å²	110	101.6 Å²	101.6	71%	0.714	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-57.1	121.4	178.1	-20.8	30	0	0	0	110.9	R297	P295-R297 PolarHBondContact O-N 3.41Å
296	R	69	Low	73.2	Confident	160 Å²	160	103.3 Å²	103.3	60%	0.604	51%	0.513	S	S	*	.			trans	-61.2	99.3	179.5	-65.8	-172.2	-176.1	-177.1	3.4	110.5	A294 G298 E299	A294-R296 PolarHBondContact O-N 2.92Å; A294-R296 VanDerWaalsContact O-N 3.12Å; R296-G298 PolarHBondContact O-N 3.17Å; R296-E299 IonicContact CZ-OE1 2.76Å; R296-E299 IonicContact NE-OE1 2.73Å; R296-E299 IonicContact NH1-OE1 2.78Å; R296-E299 PolarHBondContact NH1-OE1 3.15Å
297	R	57.4	Low	72	Confident	244 Å²	244	99.9 Å²	99.9	92%	0.921	50%	0.503	S	S	*	.			trans	-84.2	89.3	169.5	-75.2	-169.8	178.1	-169.7	2.2	109.6	P295	P295-R297 PolarHBondContact O-N 3.41Å
298	G	50.5	Low	70.7	Confident	69 Å²	69	103 Å²	103	71%	0.711	52%	0.516	S	S	*	.	S	Bend	trans	57.3	93	171.2	0	0	0	0	0	112.9	R296	R296-G298 PolarHBondContact O-N 3.17Å
299	E	48.4	Very low	69.7	Low	122 Å²	122	103.7 Å²	103.7	57%	0.57	52%	0.518	S	S	*	.			trans	-50	137.4	178	-71.2	178.8	170.7	0	0	111.2	R296 H301	R296-E299 IonicContact CZ-OE1 2.76Å; R296-E299 IonicContact NE-OE1 2.73Å; R296-E299 IonicContact NH1-OE1 2.78Å; R296-E299 PolarHBondContact NH1-OE1 3.15Å; E299-H301 PolarHBondContact O-N 3.01Å
300	P	48.9	Very low	68.2	Low	66 Å²	66	101.8 Å²	101.8	43%	0.429	51%	0.507	S	S	.	.			trans	-53.3	133.5	161.6	22	-27.8	0	0	0	106.9	V302	P300-V302 HydrophobicContact CB-CG2 4.22Å; P300-V302 HydrophobicContact CG-CG2 4.14Å; P300-V302 PolarHBondContact O-N 3.41Å
301	H	41.5	Very low	66.1	Low	179 Å²	179	106 Å²	106	83%	0.829	53%	0.531	S	S	*	.			trans	-60.8	76.7	172	-89.2	35.6	0	0	0	109.3	E299 T303	E299-H301 PolarHBondContact O-N 3.01Å; H301-T303 PolarHBondContact O-N 3.49Å; H301-T303 VanDerWaalsContact O-N 3.13Å
302	V	46.5	Very low	64.5	Low	66 Å²	66	110.9 Å²	110.9	40%	0.4	56%	0.556	S	S	.	*			trans	-86.6	75.9	166.7	-170.1	0	0	0	0	105.1	P300 R304	P300-V302 HydrophobicContact CB-CG2 4.22Å; P300-V302 HydrophobicContact CG-CG2 4.14Å; P300-V302 PolarHBondContact O-N 3.41Å; V302-R304 HydrophobicContact CG1-CB 4.29Å; V302-R304 PolarHBondContact O-N 2.9Å
303	T	45.1	Very low	62.8	Low	130 Å²	130	111.5 Å²	111.5	80%	0.798	56%	0.557	S	S	*	*			trans	-71.1	17	167.9	46.4	0	0	0	0	112.1	H301	H301-T303 PolarHBondContact O-N 3.49Å; H301-T303 VanDerWaalsContact O-N 3.13Å
304	R	50.4	Low	61	Low	212 Å²	212	114.7 Å²	114.7	80%	0.8	57%	0.569	S	S	*	*	S	Bend	trans	-108.5	143.3	176.9	-82.9	-175	169.2	-178.1	-2.8	110.1	V302 T306	V302-R304 HydrophobicContact CG1-CB 4.29Å; V302-R304 PolarHBondContact O-N 2.9Å; R304-T306 PolarHBondContact O-N 3.08Å
305	R	58.8	Low	59.1	Low	230 Å²	230	120.4 Å²	120.4	87%	0.868	59%	0.594	S	S	*	*			trans	-33.3	129.9	170.2	-122	179.9	-176.9	-170.1	-0.7	110.4	P307	R305-P307 WeakPolarHBondContact O-CD 3.44Å; R305-P307 VanDerWaalsContact O-N 3.16Å
306	T	64.1	Low	57.5	Low	88 Å²	88	121.1 Å²	121.1	54%	0.54	59%	0.586	S	S	.	*			trans	-42.5	119.8	167.9	-53.2	0	0	0	0	108.9	R304 D308 F310	R304-T306 PolarHBondContact O-N 3.08Å; T306-D308 PolarHBondContact O-N 3.16Å; T306-F310 HydrophobicContact CG2-CB 3.92Å; T306-F310 HydrophobicContact CG2-CD2 3.69Å; T306-F310 HydrophobicContact CG2-CG 4.3Å
307	P	71.1	Confident	56.7	Low	28 Å²	28	118.5 Å²	118.5	18%	0.182	59%	0.585	C	S	.	*			trans	-48.7	137.9	177.9	-29.4	29.2	0	0	0	112.6	R305 Y309 F310	R305-P307 WeakPolarHBondContact O-CD 3.44Å; R305-P307 VanDerWaalsContact O-N 3.16Å; P307-Y309 HydrophobicContact CB-CD1 3.94Å; P307-Y309 HydrophobicContact CB-CD2 4.12Å; P307-Y309 HydrophobicContact CB-CE1 3.51Å; P307-Y309 HydrophobicContact CB-CE2 3.71Å; P307-Y309 HydrophobicContact CB-CG 4.22Å; P307-Y309 HydrophobicContact CG-CE1 4.37Å; P307-Y309 HydrophobicContact CG-CE2 4.31Å; P307-Y309 PolarHBondContact O-N 3.26Å; P307-Y309 VanDerWaalsContact O-N 3.16Å; P307-F310 HydrophobicContact CB-CD2 3.89Å; P307-F310 HydrophobicContact CB-CE2 4.12Å; P307-F310 HydrophobicContact CB-CG 4.44Å; P307-F310 VanDerWaalsContact CD-CD2 3.46Å; P307-F310 HydrophobicContact CG-CD2 3.78Å; P307-F310 HydrophobicContact CG-CE2 3.59Å; P307-F310 HydrophobicContact CG-CZ 4.44Å; P307-F310 WeakPolarHBondContact O-CB 3.42Å; P307-F310 PolarHBondContact O-N 3.1Å
308	D	69.8	Low	56.7	Low	121 Å²	121	109.5 Å²	109.5	65%	0.647	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-62	-25.9	-176.4	-68.4	-25.8	0	0	0	112.2	T306 F310 L311	T306-D308 PolarHBondContact O-N 3.16Å; D308-F310 PolarHBondContact O-N 3.23Å; D308-L311 HydrophobicContact CB-CD1 4.47Å; D308-L311 WeakPolarHBondContact O-CB 3.47Å; D308-L311 WeakPolarHBondContact O-CG 3.5Å; D308-L311 PolarHBondContact O-N 3.09Å
309	Y	77.1	Confident	57.1	Low	55 Å²	55	112.6 Å²	112.6	22%	0.216	55%	0.55	C	S	.	.	G	3₁₀ helix	trans	-75.2	-2	174.9	60	-108.8	0	0	0	114	R91 P307 L311	R91-Y309 PolarHBondContact NH1-O 2.69Å; P307-Y309 HydrophobicContact CB-CD1 3.94Å; P307-Y309 HydrophobicContact CB-CD2 4.12Å; P307-Y309 HydrophobicContact CB-CE1 3.51Å; P307-Y309 HydrophobicContact CB-CE2 3.71Å; P307-Y309 HydrophobicContact CB-CG 4.22Å; P307-Y309 HydrophobicContact CG-CE1 4.37Å; P307-Y309 HydrophobicContact CG-CE2 4.31Å; P307-Y309 PolarHBondContact O-N 3.26Å; P307-Y309 VanDerWaalsContact O-N 3.16Å; Y309-L311 VanDerWaalsContact C-N 3.27Å
310	F	66.8	Low	57.9	Low	7 Å²	7	111.8 Å²	111.8	3%	0.031	55%	0.548	C	S	.	.	G	3₁₀ helix	trans	-85.1	-2.2	163.7	-67	-38.4	0	0	0	112.8	R91 Y93 C268 Y269 R270 T306 P307 D308	R91-F310 VanDerWaalsContact C-CE1 3.43Å; R91-F310 HydrophobicContact CB-CD1 4.41Å; R91-F310 HydrophobicContact CB-CE1 4Å; R91-F310 WeakPolarHBondContact O-CE1 3.15Å; R91-F310 WeakPolarHBondContact O-CZ 3.31Å; Y93-F310 HydrophobicContact CE1-CE2 4.22Å; Y93-F310 HydrophobicContact CE1-CZ 4.27Å; Y93-F310 AromaticContact CZ-CE2 3.86Å; Y93-F310 WeakPolarHBondContact OH-CE2 3.34Å; C268-F310 HydrophobicContact CB-CB 4.38Å; C268-F310 HydrophobicContact CB-CD1 3.79Å; C268-F310 HydrophobicContact CB-CE1 4.38Å; C268-F310 HydrophobicContact CB-CG 4.38Å; Y269-F310 HydrophobicContact CD2-CE2 4.45Å; Y269-F310 HydrophobicContact CD2-CZ 4.19Å; Y269-F310 HydrophobicContact CE2-CE1 4.45Å; Y269-F310 AromaticContact CE2-CZ 3.92Å; Y269-F310 HydrophobicContact CE2-CZ 3.92Å; R270-F310 VanDerWaalsContact CD-O 3.28Å; R270-F310 WeakPolarHBondContact CD-O 3.35Å; R270-F310 PolarHBondContact NH1-O 2.93Å; T306-F310 HydrophobicContact CG2-CB 3.92Å; T306-F310 HydrophobicContact CG2-CD2 3.69Å; T306-F310 HydrophobicContact CG2-CG 4.3Å; P307-F310 HydrophobicContact CB-CD2 3.89Å; P307-F310 HydrophobicContact CB-CE2 4.12Å; P307-F310 HydrophobicContact CB-CG 4.44Å; P307-F310 VanDerWaalsContact CD-CD2 3.46Å; P307-F310 HydrophobicContact CG-CD2 3.78Å; P307-F310 HydrophobicContact CG-CE2 3.59Å; P307-F310 HydrophobicContact CG-CZ 4.44Å; P307-F310 WeakPolarHBondContact O-CB 3.42Å; P307-F310 PolarHBondContact O-N 3.1Å; D308-F310 PolarHBondContact O-N 3.23Å
311	L	54.4	Low	58.7	Low	160 Å²	160	116 Å²	116	84%	0.838	56%	0.559	S	S	*	*			trans	-83.8	0	-177.7	-61.7	175.5	0	0	0	113.8	R270 D308 Y309	R270-L311 VanDerWaalsContact NH1-CA 3.34Å; R270-L311 PolarHBondContact NH1-OXT 3.02Å; D308-L311 HydrophobicContact CB-CD1 4.47Å; D308-L311 WeakPolarHBondContact O-CB 3.47Å; D308-L311 WeakPolarHBondContact O-CG 3.5Å; D308-L311 PolarHBondContact O-N 3.09Å; Y309-L311 VanDerWaalsContact C-N 3.27Å

Retrieved 311 of 311 residues in 233.2 ms (Link to these results)

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