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DNA ligase (NAD(+))

DNA ligase that catalyzes the formation of phosphodiester linkages between 5'-phosphoryl and 3'-hydroxyl groups in double-stranded DNA using NAD as a coenzyme and as the energy source for the reaction. It is essential for DNA replication and repair of damaged DNA.

AlphaFold DB , UniProt , Accession A0A077ZH50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 652 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	84.1	Confident	90.9	Very high	120 Å²	120	70.9 Å²	70.9	59%	0.591	32%	0.324	S	S	*	.				0	-73.6	0	-56.3	-43.5	-108.9	0	0	112.2	K3 R4 I5 L42 L49	M1-K3 PolarHBondContact O-N 3.33Å; M1-R4 WeakPolarHBondContact O-CA 3.27Å; M1-R4 PolarHBondContact O-N 2.88Å; M1-I5 PolarHBondContact O-N 2.91Å; M1-L42 HydrophobicContact CE-CD2 3.32Å; M1-L42 HydrophobicContact SD-CD2 4.15Å; M1-L49 HydrophobicContact CB-CD1 4.27Å
2	K	87.5	Confident	90.9	Very high	146 Å²	146	65 Å²	65	64%	0.635	30%	0.297	S	S	*	.	H	α-helix	trans	-46.2	-44.2	179.8	-172	175.6	-178.6	176.4	0	114.3	Q6 L49	K2-Q6 PolarHBondContact O-N 3.3Å; K2-L49 HydrophobicContact CB-CD1 4.3Å; K2-L49 HydrophobicContact CB-CD2 4.4Å; K2-L49 HydrophobicContact CD-CD2 4.48Å; K2-L49 HydrophobicContact CG-CD2 4.44Å
3	K	91.1	Very high	90.5	Very high	154 Å²	154	63.2 Å²	63.2	67%	0.67	29%	0.292	S	S	*	.	H	α-helix	trans	-62.8	-42.3	176.3	-161.4	-168.7	-179.4	-124.6	0	113.4	M1 Q6 E7	M1-K3 PolarHBondContact O-N 3.33Å; K3-Q6 PolarHBondContact O-N 3.44Å; K3-E7 WeakPolarHBondContact CE-OE1 3.42Å; K3-E7 IonicContact NZ-OE1 2.74Å; K3-E7 PolarHBondContact NZ-OE1 3.43Å; K3-E7 WeakPolarHBondContact O-CB 3.36Å; K3-E7 VanDerWaalsContact O-CG 3.28Å; K3-E7 WeakPolarHBondContact O-CG 3.45Å; K3-E7 PolarHBondContact O-N 3.43Å
4	R	94.7	Very high	90.2	Very high	72 Å²	72	64.7 Å²	64.7	27%	0.272	30%	0.299	S	S	.	.	H	α-helix	trans	-70.1	-39.2	179.6	-178.4	57.5	176.4	159.7	4.3	111.9	M1 Q6 E7 L8 E38 L42	M1-R4 WeakPolarHBondContact O-CA 3.27Å; M1-R4 PolarHBondContact O-N 2.88Å; R4-Q6 VanDerWaalsContact C-N 3.33Å; R4-E7 PolarHBondContact O-N 2.65Å; R4-L8 HydrophobicContact CG-CD1 4.11Å; R4-L8 WeakPolarHBondContact O-CB 3.48Å; R4-L8 WeakPolarHBondContact O-CG 3.42Å; R4-L8 PolarHBondContact O-N 3.01Å; R4-E38 IonicContact CZ-OE1 3.78Å; R4-E38 IonicContact CZ-OE2 3.33Å; R4-E38 IonicContact NE-OE1 2.61Å; R4-E38 PolarHBondContact NE-OE1 3.35Å; R4-E38 VanDerWaalsContact NH2-CD 3.3Å; R4-E38 IonicContact NH2-OE1 2.8Å; R4-E38 PolarHBondContact NH2-OE1 3.25Å; R4-E38 IonicContact NH2-OE2 3.04Å; R4-E38 PolarHBondContact NH2-OE2 3.22Å; R4-L42 HydrophobicContact CG-CD1 3.96Å
5	I	92.3	Very high	89.9	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-47.3	172.7	-69.3	173.4	0	0	0	109.6	M1 L8 V9 L39 L42 H46 L49 L51	M1-I5 PolarHBondContact O-N 2.91Å; I5-L8 PolarHBondContact O-N 3Å; I5-V9 HydrophobicContact CG2-CG2 4.31Å; I5-V9 WeakPolarHBondContact O-CB 3.41Å; I5-V9 WeakPolarHBondContact O-CG2 3.47Å; I5-V9 PolarHBondContact O-N 3.46Å; I5-L39 HydrophobicContact CG2-CD1 4.05Å; I5-L42 HydrophobicContact CD1-CB 4.27Å; I5-L42 HydrophobicContact CG1-CB 3.95Å; I5-L42 HydrophobicContact CG1-CD1 4.25Å; I5-H46 HydrophobicContact CD1-CB 4.49Å; I5-L49 HydrophobicContact CD1-CB 3.73Å; I5-L49 HydrophobicContact CD1-CD1 4.07Å; I5-L51 HydrophobicContact CG2-CD1 4.23Å; I5-L51 HydrophobicContact CG2-CG 4.29Å
6	Q	91.4	Very high	89.4	Confident	65 Å²	65	60.3 Å²	60.3	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-48.6	176.2	-172.2	66.7	63.5	0	0	112.2	K2 K3 R4 L8 V9 D10 L51	K2-Q6 PolarHBondContact O-N 3.3Å; K3-Q6 PolarHBondContact O-N 3.44Å; R4-Q6 VanDerWaalsContact C-N 3.33Å; Q6-L8 PolarHBondContact O-N 3.18Å; Q6-V9 PolarHBondContact O-N 3.14Å; Q6-D10 PolarHBondContact NE2-OD1 3.48Å; Q6-D10 PolarHBondContact NE2-OD2 3.33Å; Q6-D10 WeakPolarHBondContact O-CB 3.24Å; Q6-D10 PolarHBondContact O-N 3.41Å; Q6-L51 HydrophobicContact CB-CD1 4.3Å
7	E	93.1	Very high	88.7	Confident	68 Å²	68	60.2 Å²	60.2	32%	0.318	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-47.3	177.8	-74.2	165.4	-180	0	0	111.8	K3 R4 D10 E11	K3-E7 WeakPolarHBondContact CE-OE1 3.42Å; K3-E7 IonicContact NZ-OE1 2.74Å; K3-E7 PolarHBondContact NZ-OE1 3.43Å; K3-E7 WeakPolarHBondContact O-CB 3.36Å; K3-E7 VanDerWaalsContact O-CG 3.28Å; K3-E7 WeakPolarHBondContact O-CG 3.45Å; K3-E7 PolarHBondContact O-N 3.43Å; R4-E7 PolarHBondContact O-N 2.65Å; E7-D10 PolarHBondContact O-N 2.85Å; E7-E11 WeakPolarHBondContact O-CB 3.33Å; E7-E11 WeakPolarHBondContact O-CG 3.4Å; E7-E11 PolarHBondContact O-N 3.14Å
8	L	94.6	Very high	88.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-41.7	177	-77	168.6	0	0	0	112.7	R4 I5 Q6 D10 L12 L35 E38 L39 L42	R4-L8 HydrophobicContact CG-CD1 4.11Å; R4-L8 WeakPolarHBondContact O-CB 3.48Å; R4-L8 WeakPolarHBondContact O-CG 3.42Å; R4-L8 PolarHBondContact O-N 3.01Å; I5-L8 PolarHBondContact O-N 3Å; Q6-L8 PolarHBondContact O-N 3.18Å; L8-D10 VanDerWaalsContact C-N 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 WeakPolarHBondContact O-CD1 3.33Å; L8-L12 WeakPolarHBondContact O-CG 3.13Å; L8-L12 PolarHBondContact O-N 3.4Å; L8-L35 HydrophobicContact CD2-CB 4.06Å; L8-L35 HydrophobicContact CD2-CD2 3.78Å; L8-L35 HydrophobicContact CD2-CG 4.48Å; L8-E38 HydrophobicContact CD1-CB 4.24Å; L8-E38 HydrophobicContact CD1-CG 3.9Å; L8-L39 HydrophobicContact CB-CB 4.32Å; L8-L39 HydrophobicContact CB-CD1 4.19Å; L8-L39 HydrophobicContact CD1-CB 4.21Å; L8-L42 HydrophobicContact CD1-CD1 3.49Å; L8-L42 VanDerWaalsContact CD1-CD1 3.49Å
9	V	90.5	Very high	87.6	Confident	0 Å²	0	60 Å²	60	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-41.5	177.5	165.3	0	0	0	0	110.4	I5 Q6 N13 L39 L51	I5-V9 HydrophobicContact CG2-CG2 4.31Å; I5-V9 WeakPolarHBondContact O-CB 3.41Å; I5-V9 WeakPolarHBondContact O-CG2 3.47Å; I5-V9 PolarHBondContact O-N 3.46Å; Q6-V9 PolarHBondContact O-N 3.14Å; V9-N13 WeakPolarHBondContact CG1-ND2 3.46Å; V9-N13 VanDerWaalsContact O-CB 3.23Å; V9-N13 WeakPolarHBondContact O-CB 3.31Å; V9-N13 VanDerWaalsContact O-CG 3.25Å; V9-N13 PolarHBondContact O-N 3.34Å; V9-N13 PolarHBondContact O-ND2 3.02Å; V9-L39 HydrophobicContact CG2-CD1 3.81Å; V9-L39 HydrophobicContact CG2-CD2 3.72Å; V9-L39 HydrophobicContact CG2-CG 4.44Å; V9-L51 HydrophobicContact CB-CD1 4.13Å; V9-L51 HydrophobicContact CG1-CD1 4.15Å; V9-L51 HydrophobicContact CG2-CD1 4.1Å
10	D	88.7	Confident	86.7	Confident	82 Å²	82	61.1 Å²	61.1	44%	0.439	27%	0.273	S	S	.	.	H	α-helix	trans	-68.5	-46.7	178.5	-64.3	-19.7	0	0	0	111.1	Q6 E7 L8 N13 Q14	Q6-D10 PolarHBondContact NE2-OD1 3.48Å; Q6-D10 PolarHBondContact NE2-OD2 3.33Å; Q6-D10 WeakPolarHBondContact O-CB 3.24Å; Q6-D10 PolarHBondContact O-N 3.41Å; E7-D10 PolarHBondContact O-N 2.85Å; L8-D10 VanDerWaalsContact C-N 3.31Å; D10-N13 PolarHBondContact O-N 3.43Å; D10-Q14 WeakPolarHBondContact O-CB 3.35Å; D10-Q14 PolarHBondContact O-N 3.41Å
11	E	91.9	Very high	85.8	Confident	71 Å²	71	59.9 Å²	59.9	33%	0.332	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-50.6	176.2	-77.5	175.2	176.9	0	0	111.8	E7 N13 Q14 Y15	E7-E11 WeakPolarHBondContact O-CB 3.33Å; E7-E11 WeakPolarHBondContact O-CG 3.4Å; E7-E11 PolarHBondContact O-N 3.14Å; E11-N13 PolarHBondContact O-N 2.87Å; E11-Q14 WeakPolarHBondContact O-CB 3.27Å; E11-Q14 PolarHBondContact O-N 3.07Å; E11-Y15 HydrophobicContact CB-CE2 4.03Å; E11-Y15 WeakPolarHBondContact O-CD2 3.47Å; E11-Y15 VanDerWaalsContact O-CG 3.25Å; E11-Y15 PolarHBondContact O-N 2.98Å
12	L	90.9	Very high	85.4	Confident	0 Å²	0	58 Å²	58	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-37.1	-178.6	-72	165.4	0	0	0	111.9	L8 Q14 R16 Y32 L35 Y36 L39 P55	L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 WeakPolarHBondContact O-CD1 3.33Å; L8-L12 WeakPolarHBondContact O-CG 3.13Å; L8-L12 PolarHBondContact O-N 3.4Å; L12-Q14 VanDerWaalsContact C-N 3.35Å; L12-R16 WeakPolarHBondContact O-CB 3.31Å; L12-R16 WeakPolarHBondContact O-CG 3.17Å; L12-R16 PolarHBondContact O-N 3.36Å; L12-Y32 HydrophobicContact CB-CE2 4.33Å; L12-Y32 HydrophobicContact CD2-CD2 3.68Å; L12-Y32 HydrophobicContact CD2-CE1 4.44Å; L12-Y32 HydrophobicContact CD2-CE2 3.44Å; L12-Y32 VanDerWaalsContact CD2-CE2 3.44Å; L12-Y32 HydrophobicContact CD2-CG 4.28Å; L12-L35 HydrophobicContact CD2-CB 3.87Å; L12-L35 HydrophobicContact CG-CB 4.32Å; L12-Y36 HydrophobicContact CD1-CD2 4.38Å; L12-L39 HydrophobicContact CD1-CB 3.94Å; L12-L39 HydrophobicContact CD1-CD2 3.56Å; L12-L39 HydrophobicContact CD1-CG 4.41Å; L12-P55 HydrophobicContact CB-CG 3.89Å
13	N	86.4	Confident	84.5	Confident	42 Å²	42	57.8 Å²	57.8	23%	0.225	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-38.5	173.8	-80.3	-42.1	0	0	0	111.8	V9 D10 E11 R16 K17 N53 P55	V9-N13 WeakPolarHBondContact CG1-ND2 3.46Å; V9-N13 VanDerWaalsContact O-CB 3.23Å; V9-N13 WeakPolarHBondContact O-CB 3.31Å; V9-N13 VanDerWaalsContact O-CG 3.25Å; V9-N13 PolarHBondContact O-N 3.34Å; V9-N13 PolarHBondContact O-ND2 3.02Å; D10-N13 PolarHBondContact O-N 3.43Å; E11-N13 PolarHBondContact O-N 2.87Å; N13-R16 WeakPolarHBondContact O-CB 3.27Å; N13-R16 PolarHBondContact O-N 2.79Å; N13-K17 PolarHBondContact O-N 2.87Å; N13-N53 PolarHBondContact ND2-O 3.25Å; N13-P55 WeakPolarHBondContact OD1-CG 3.31Å
14	Q	85.8	Confident	84	Confident	84 Å²	84	57.6 Å²	57.6	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-49.1	174.5	179.8	57.1	37.5	0	0	111.5	D10 E11 L12 R16 K17 E18	D10-Q14 WeakPolarHBondContact O-CB 3.35Å; D10-Q14 PolarHBondContact O-N 3.41Å; E11-Q14 WeakPolarHBondContact O-CB 3.27Å; E11-Q14 PolarHBondContact O-N 3.07Å; L12-Q14 VanDerWaalsContact C-N 3.35Å; Q14-R16 VanDerWaalsContact C-N 3.25Å; Q14-R16 PolarHBondContact O-N 3.08Å; Q14-K17 WeakPolarHBondContact O-CB 3.41Å; Q14-K17 PolarHBondContact O-N 3.43Å; Q14-K17 VanDerWaalsContact O-N 3.11Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.34Å; Q14-E18 PolarHBondContact NE2-OE1 2.72Å; Q14-E18 WeakPolarHBondContact O-CG 3.13Å; Q14-E18 PolarHBondContact O-N 3.38Å
15	Y	85.4	Confident	83.3	Confident	44 Å²	44	57.4 Å²	57.4	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-34.3	177	-60.9	-33.8	0	0	0	112.7	E11 E18 Y19 V27 Y32 L35	E11-Y15 HydrophobicContact CB-CE2 4.03Å; E11-Y15 WeakPolarHBondContact O-CD2 3.47Å; E11-Y15 VanDerWaalsContact O-CG 3.25Å; E11-Y15 PolarHBondContact O-N 2.98Å; Y15-E18 PolarHBondContact O-N 3.33Å; Y15-Y19 VanDerWaalsContact O-CB 3.3Å; Y15-Y19 WeakPolarHBondContact O-CB 3.26Å; Y15-Y19 PolarHBondContact O-N 3.33Å; Y15-V27 HydrophobicContact CD1-CG1 4Å; Y15-V27 HydrophobicContact CD1-CG2 3.76Å; Y15-V27 HydrophobicContact CD2-CG1 4.45Å; Y15-V27 HydrophobicContact CD2-CG2 3.78Å; Y15-V27 HydrophobicContact CE1-CB 4.46Å; Y15-V27 HydrophobicContact CE1-CG1 3.5Å; Y15-V27 HydrophobicContact CE1-CG2 4.14Å; Y15-V27 HydrophobicContact CE2-CG1 4Å; Y15-V27 HydrophobicContact CE2-CG2 4.15Å; Y15-V27 HydrophobicContact CG-CG1 4.46Å; Y15-V27 HydrophobicContact CG-CG2 3.58Å; Y15-V27 VanDerWaalsContact CZ-CG1 3.5Å; Y15-Y32 HydrophobicContact CD2-CD2 4.37Å; Y15-L35 HydrophobicContact CD2-CD1 4.36Å; Y15-L35 HydrophobicContact CE2-CD1 3.67Å
16	R	82.8	Confident	83	Confident	15 Å²	15	62 Å²	62	6%	0.057	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-45.1	172.8	-77.8	177.3	62.9	-164.1	-2	112.2	L12 N13 Q14 E18 Y19 Y20 Y32 E58 K147	L12-R16 WeakPolarHBondContact O-CB 3.31Å; L12-R16 WeakPolarHBondContact O-CG 3.17Å; L12-R16 PolarHBondContact O-N 3.36Å; N13-R16 WeakPolarHBondContact O-CB 3.27Å; N13-R16 PolarHBondContact O-N 2.79Å; Q14-R16 VanDerWaalsContact C-N 3.25Å; Q14-R16 PolarHBondContact O-N 3.08Å; R16-E18 VanDerWaalsContact C-N 3.32Å; R16-E18 PolarHBondContact O-N 2.95Å; R16-Y19 PolarHBondContact O-N 3.1Å; R16-Y20 HydrophobicContact CB-CD2 4.07Å; R16-Y20 HydrophobicContact CB-CE2 4.46Å; R16-Y20 HydrophobicContact CG-CD2 4.26Å; R16-Y20 HydrophobicContact CG-CE2 4.15Å; R16-Y20 WeakPolarHBondContact O-CB 3.33Å; R16-Y20 VanDerWaalsContact O-CD2 3.31Å; R16-Y20 WeakPolarHBondContact O-CD2 3.47Å; R16-Y20 PolarHBondContact O-N 2.99Å; R16-Y32 WeakPolarHBondContact CD-OH 3.23Å; R16-Y32 HydrophobicContact CG-CE2 3.83Å; R16-Y32 WeakPolarHBondContact CG-OH 3.43Å; R16-E58 VanDerWaalsContact CZ-CD 3.43Å; R16-E58 IonicContact CZ-OE1 2.94Å; R16-E58 IonicContact CZ-OE2 2.89Å; R16-E58 VanDerWaalsContact CZ-OE2 3.26Å; R16-E58 IonicContact NH1-OE1 2.8Å; R16-E58 PolarHBondContact NH1-OE1 2.78Å; R16-E58 IonicContact NH1-OE2 3.71Å; R16-E58 PolarHBondContact NH1-OE2 3.36Å; R16-E58 IonicContact NH2-OE1 3.45Å; R16-E58 PolarHBondContact NH2-OE1 3.03Å; R16-E58 IonicContact NH2-OE2 2.91Å; R16-E58 PolarHBondContact NH2-OE2 2.95Å; R16-K147 PolarHBondContact NH2-O 3.04Å
17	K	76.6	Confident	82.8	Confident	59 Å²	59	60 Å²	60	26%	0.257	29%	0.294	S	S	.	.	I	π-helix	trans	-58.7	-47.6	176.1	-171.8	-170.2	-175.9	-124.6	0	110.3	N13 Q14 Y19 T21 E22	N13-K17 PolarHBondContact O-N 2.87Å; Q14-K17 WeakPolarHBondContact O-CB 3.41Å; Q14-K17 PolarHBondContact O-N 3.43Å; Q14-K17 VanDerWaalsContact O-N 3.11Å; K17-Y19 VanDerWaalsContact C-N 3.32Å; K17-Y19 PolarHBondContact O-N 3.04Å; K17-T21 CarbonylContact O-C 3.42Å; K17-T21 WeakPolarHBondContact O-CA 3.46Å; K17-T21 WeakPolarHBondContact O-CB 3.35Å; K17-T21 PolarHBondContact O-N 3.29Å; K17-E22 VanDerWaalsContact CE-OE1 3.32Å; K17-E22 WeakPolarHBondContact CE-OE1 3.4Å; K17-E22 HydrophobicContact CG-CG 4.44Å; K17-E22 IonicContact NZ-OE1 2.7Å; K17-E22 PolarHBondContact NZ-OE1 3.33Å; K17-E22 PolarHBondContact O-N 2.91Å
18	E	80.5	Confident	82.3	Confident	19 Å²	19	59.4 Å²	59.4	9%	0.089	30%	0.297	C	S	.	.	I	π-helix	trans	-58.5	-42.6	177.1	-73.6	169.2	-168.1	0	0	112.6	Q14 Y15 R16 E22 D23 K24 T26	Q14-E18 WeakPolarHBondContact CG-OE1 3.34Å; Q14-E18 PolarHBondContact NE2-OE1 2.72Å; Q14-E18 WeakPolarHBondContact O-CG 3.13Å; Q14-E18 PolarHBondContact O-N 3.38Å; Y15-E18 PolarHBondContact O-N 3.33Å; R16-E18 VanDerWaalsContact C-N 3.32Å; R16-E18 PolarHBondContact O-N 2.95Å; E18-E22 CarbonylContact O-C 3.58Å; E18-D23 PolarHBondContact O-N 3.12Å; E18-K24 CarbonylContact O-C 3.56Å; E18-K24 PolarHBondContact O-N 3.1Å; E18-T26 VanDerWaalsContact OE2-CB 3.26Å; E18-T26 WeakPolarHBondContact OE2-CB 3.39Å; E18-T26 WeakPolarHBondContact OE2-CG2 3.45Å; E18-T26 PolarHBondContact OE2-N 2.73Å; E18-T26 PolarHBondContact OE2-OG1 3.03Å
19	Y	75.2	Confident	81.6	Confident	97 Å²	97	64 Å²	64	38%	0.38	32%	0.322	S	S	.	.	I	π-helix	trans	-77.3	-52.6	-177.8	-167.6	-77.2	0	0	0	112.9	Y15 R16 K17 P25 D29	Y15-Y19 VanDerWaalsContact O-CB 3.3Å; Y15-Y19 WeakPolarHBondContact O-CB 3.26Å; Y15-Y19 PolarHBondContact O-N 3.33Å; R16-Y19 PolarHBondContact O-N 3.1Å; K17-Y19 VanDerWaalsContact C-N 3.32Å; K17-Y19 PolarHBondContact O-N 3.04Å; Y19-P25 HydrophobicContact CD2-CB 3.84Å; Y19-P25 HydrophobicContact CD2-CG 4.23Å; Y19-D29 WeakPolarHBondContact CE2-OD1 3.46Å
20	Y	71.5	Confident	81.2	Confident	82 Å²	82	68.2 Å²	68.2	32%	0.322	35%	0.351	S	S	.	.	I	π-helix	trans	-91.8	-23.8	-169.2	-63.8	-67.8	0	0	0	114	R16 K147	R16-Y20 HydrophobicContact CB-CD2 4.07Å; R16-Y20 HydrophobicContact CB-CE2 4.46Å; R16-Y20 HydrophobicContact CG-CD2 4.26Å; R16-Y20 HydrophobicContact CG-CE2 4.15Å; R16-Y20 WeakPolarHBondContact O-CB 3.33Å; R16-Y20 VanDerWaalsContact O-CD2 3.31Å; R16-Y20 WeakPolarHBondContact O-CD2 3.47Å; R16-Y20 PolarHBondContact O-N 2.99Å; Y20-K147 HydrophobicContact CD1-CB 3.98Å; Y20-K147 HydrophobicContact CD1-CD 3.93Å; Y20-K147 HydrophobicContact CD2-CB 3.97Å; Y20-K147 HydrophobicContact CD2-CD 4.43Å; Y20-K147 HydrophobicContact CE1-CB 4.23Å; Y20-K147 HydrophobicContact CE1-CD 3.34Å; Y20-K147 HydrophobicContact CE1-CG 4.46Å; Y20-K147 HydrophobicContact CE2-CB 4.23Å; Y20-K147 HydrophobicContact CE2-CD 3.93Å; Y20-K147 HydrophobicContact CG-CB 3.86Å; Y20-K147 HydrophobicContact CG-CD 4.44Å; Y20-K147 PolarHBondContact OH-NZ 3.4Å
21	T	67.1	Low	81.2	Confident	36 Å²	36	68.9 Å²	68.9	22%	0.221	35%	0.352	C	S	.	.	I	π-helix	trans	-109.4	-42.9	-176.3	-50.1	0	0	0	0	111.7	K17	K17-T21 CarbonylContact O-C 3.42Å; K17-T21 WeakPolarHBondContact O-CA 3.46Å; K17-T21 WeakPolarHBondContact O-CB 3.35Å; K17-T21 PolarHBondContact O-N 3.29Å
22	E	76	Confident	81.1	Confident	79 Å²	79	67.3 Å²	67.3	37%	0.369	34%	0.343	S	S	.	.	S	Bend	trans	-97.6	-12.1	-173.1	-56.3	-179.5	-177.5	0	0	114.1	K17 E18 K24	K17-E22 VanDerWaalsContact CE-OE1 3.32Å; K17-E22 WeakPolarHBondContact CE-OE1 3.4Å; K17-E22 HydrophobicContact CG-CG 4.44Å; K17-E22 IonicContact NZ-OE1 2.7Å; K17-E22 PolarHBondContact NZ-OE1 3.33Å; K17-E22 PolarHBondContact O-N 2.91Å; E18-E22 CarbonylContact O-C 3.58Å; E22-K24 WeakPolarHBondContact O-CG 3.22Å; E22-K24 PolarHBondContact O-N 3.47Å
23	D	68.8	Low	80.8	Confident	142 Å²	142	70.9 Å²	70.9	76%	0.759	36%	0.362	S	S	*	.	S	Bend	trans	51.2	38.2	-174.6	-162.1	30.2	0	0	0	112.8	E18	E18-D23 PolarHBondContact O-N 3.12Å
24	K	79.3	Confident	81.1	Confident	151 Å²	151	76.2 Å²	76.2	66%	0.657	38%	0.383	S	S	*	.			trans	-141.4	62.7	-175.9	-70.5	176.1	-173	171.8	0	112	E18 E22 T26	E18-K24 CarbonylContact O-C 3.56Å; E18-K24 PolarHBondContact O-N 3.1Å; E22-K24 WeakPolarHBondContact O-CG 3.22Å; E22-K24 PolarHBondContact O-N 3.47Å; K24-T26 PolarHBondContact O-N 3.24Å
25	P	80.4	Confident	81.5	Confident	68 Å²	68	73.2 Å²	73.2	44%	0.442	37%	0.37	S	S	.	.			trans	-62.6	129.9	-178.4	26.7	-34.7	0	0	0	112.3	Y19	Y19-P25 HydrophobicContact CD2-CB 3.84Å; Y19-P25 HydrophobicContact CD2-CG 4.23Å
26	T	86.9	Confident	81.7	Confident	97 Å²	97	73.1 Å²	73.1	60%	0.595	37%	0.37	S	S	*	.	S	Bend	trans	-89.2	-15.9	175.7	61.8	0	0	0	0	113.9	E18 K24	E18-T26 VanDerWaalsContact OE2-CB 3.26Å; E18-T26 WeakPolarHBondContact OE2-CB 3.39Å; E18-T26 WeakPolarHBondContact OE2-CG2 3.45Å; E18-T26 PolarHBondContact OE2-N 2.73Å; E18-T26 PolarHBondContact OE2-OG1 3.03Å; K24-T26 PolarHBondContact O-N 3.24Å
27	V	87.1	Confident	82	Confident	23 Å²	23	80.8 Å²	80.8	14%	0.139	40%	0.398	C	S	.	.	S	Bend	trans	-121.9	156.3	179.2	-63.2	0	0	0	0	111.5	Y15 E31	Y15-V27 HydrophobicContact CD1-CG1 4Å; Y15-V27 HydrophobicContact CD1-CG2 3.76Å; Y15-V27 HydrophobicContact CD2-CG1 4.45Å; Y15-V27 HydrophobicContact CD2-CG2 3.78Å; Y15-V27 HydrophobicContact CE1-CB 4.46Å; Y15-V27 HydrophobicContact CE1-CG1 3.5Å; Y15-V27 HydrophobicContact CE1-CG2 4.14Å; Y15-V27 HydrophobicContact CE2-CG1 4Å; Y15-V27 HydrophobicContact CE2-CG2 4.15Å; Y15-V27 HydrophobicContact CG-CG1 4.46Å; Y15-V27 HydrophobicContact CG-CG2 3.58Å; Y15-V27 VanDerWaalsContact CZ-CG1 3.5Å; V27-E31 HydrophobicContact CB-CB 4.3Å; V27-E31 HydrophobicContact CB-CG 4.28Å; V27-E31 HydrophobicContact CG1-CG 4.41Å
28	S	82.5	Confident	82.8	Confident	57 Å²	57	81.2 Å²	81.2	40%	0.399	40%	0.401	S	S	.	.			trans	-74.4	153.8	173.6	71.9	0	0	0	0	111.9	S30 E31 Y32	S28-S30 PolarHBondContact O-N 3.5Å; S28-S30 VanDerWaalsContact O-N 3.11Å; S28-S30 PolarHBondContact OG-OG 2.93Å; S28-E31 WeakPolarHBondContact O-CB 3.33Å; S28-E31 PolarHBondContact O-N 3.36Å; S28-E31 PolarHBondContact OG-N 3Å; S28-Y32 PolarHBondContact O-N 3.47Å
29	D	79.7	Confident	83.5	Confident	96 Å²	96	80.3 Å²	80.3	51%	0.513	40%	0.397	S	S	.	.	H	α-helix	trans	-51	-37.5	172.7	-66.9	0.5	0	0	0	112	Y19 E31 Y32 D33	Y19-D29 WeakPolarHBondContact CE2-OD1 3.46Å; D29-E31 VanDerWaalsContact C-N 3.34Å; D29-E31 PolarHBondContact O-N 3.4Å; D29-Y32 PolarHBondContact O-N 3.1Å; D29-D33 VanDerWaalsContact O-CB 3.32Å; D29-D33 WeakPolarHBondContact O-CB 3.24Å; D29-D33 VanDerWaalsContact O-CG 3.32Å; D29-D33 PolarHBondContact O-N 3.2Å
30	S	82.9	Confident	84.1	Confident	88 Å²	88	78.3 Å²	78.3	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-67.3	-32.3	179	73.7	0	0	0	0	113.9	S28 K34	S28-S30 PolarHBondContact O-N 3.5Å; S28-S30 VanDerWaalsContact O-N 3.11Å; S28-S30 PolarHBondContact OG-OG 2.93Å; S30-K34 WeakPolarHBondContact O-CB 3.36Å; S30-K34 PolarHBondContact O-N 2.99Å
31	E	87.2	Confident	85	Confident	96 Å²	96	80 Å²	80	45%	0.449	41%	0.405	S	S	.	.	H	α-helix	trans	-78.3	-42.5	177.9	-176.5	168.3	-167.8	0	0	110.4	V27 S28 D29 K34 L35	V27-E31 HydrophobicContact CB-CB 4.3Å; V27-E31 HydrophobicContact CB-CG 4.28Å; V27-E31 HydrophobicContact CG1-CG 4.41Å; S28-E31 WeakPolarHBondContact O-CB 3.33Å; S28-E31 PolarHBondContact O-N 3.36Å; S28-E31 PolarHBondContact OG-N 3Å; D29-E31 VanDerWaalsContact C-N 3.34Å; D29-E31 PolarHBondContact O-N 3.4Å; E31-K34 PolarHBondContact O-N 3.48Å; E31-L35 WeakPolarHBondContact O-CG 3.42Å; E31-L35 PolarHBondContact O-N 3.3Å; E31-L35 VanDerWaalsContact O-N 3.13Å
32	Y	89.3	Confident	86.3	Confident	38 Å²	38	79.3 Å²	79.3	15%	0.149	40%	0.4	C	S	.	.	H	α-helix	trans	-56	-52.4	170.7	-178.2	-89.2	0	0	0	111.6	L12 Y15 R16 S28 D29 K34 L35 Y36	L12-Y32 HydrophobicContact CB-CE2 4.33Å; L12-Y32 HydrophobicContact CD2-CD2 3.68Å; L12-Y32 HydrophobicContact CD2-CE1 4.44Å; L12-Y32 HydrophobicContact CD2-CE2 3.44Å; L12-Y32 VanDerWaalsContact CD2-CE2 3.44Å; L12-Y32 HydrophobicContact CD2-CG 4.28Å; Y15-Y32 HydrophobicContact CD2-CD2 4.37Å; R16-Y32 WeakPolarHBondContact CD-OH 3.23Å; R16-Y32 HydrophobicContact CG-CE2 3.83Å; R16-Y32 WeakPolarHBondContact CG-OH 3.43Å; S28-Y32 PolarHBondContact O-N 3.47Å; D29-Y32 PolarHBondContact O-N 3.1Å; Y32-K34 PolarHBondContact O-N 2.98Å; Y32-L35 PolarHBondContact O-N 3.06Å; Y32-Y36 HydrophobicContact CE1-CD2 4.16Å; Y32-Y36 HydrophobicContact CE1-CG 4.42Å; Y32-Y36 WeakPolarHBondContact O-CB 3.37Å; Y32-Y36 PolarHBondContact O-N 3.12Å
33	D	86.1	Confident	87	Confident	76 Å²	76	75.9 Å²	75.9	41%	0.406	39%	0.385	S	S	.	.	H	α-helix	trans	-59	-36.3	-179.7	-83.1	-9.5	0	0	0	112.4	D29 R37	D29-D33 VanDerWaalsContact O-CB 3.32Å; D29-D33 WeakPolarHBondContact O-CB 3.24Å; D29-D33 VanDerWaalsContact O-CG 3.32Å; D29-D33 PolarHBondContact O-N 3.2Å; D33-R37 WeakPolarHBondContact O-CB 3.47Å; D33-R37 WeakPolarHBondContact O-CG 3.49Å; D33-R37 PolarHBondContact O-N 3.45Å
34	K	92.4	Very high	87.9	Confident	153 Å²	153	76.5 Å²	76.5	67%	0.665	38%	0.381	S	S	*	.	H	α-helix	trans	-65.5	-48.5	177.4	-178.1	-174.1	173.7	-169.7	0	111.3	S30 E31 Y32 Y36 R37 E38	S30-K34 WeakPolarHBondContact O-CB 3.36Å; S30-K34 PolarHBondContact O-N 2.99Å; E31-K34 PolarHBondContact O-N 3.48Å; Y32-K34 PolarHBondContact O-N 2.98Å; K34-Y36 VanDerWaalsContact C-N 3.34Å; K34-R37 PolarHBondContact O-N 3.31Å; K34-E38 PolarHBondContact O-N 3.33Å
35	L	94	Very high	88.5	Confident	21 Å²	21	72.4 Å²	72.4	11%	0.11	38%	0.375	C	S	.	.	H	α-helix	trans	-66.2	-38.9	178.1	-66.1	174	0	0	0	111.3	L8 L12 Y15 E31 Y32 E38 L39	L8-L35 HydrophobicContact CD2-CB 4.06Å; L8-L35 HydrophobicContact CD2-CD2 3.78Å; L8-L35 HydrophobicContact CD2-CG 4.48Å; L12-L35 HydrophobicContact CD2-CB 3.87Å; L12-L35 HydrophobicContact CG-CB 4.32Å; Y15-L35 HydrophobicContact CD2-CD1 4.36Å; Y15-L35 HydrophobicContact CE2-CD1 3.67Å; E31-L35 WeakPolarHBondContact O-CG 3.42Å; E31-L35 PolarHBondContact O-N 3.3Å; E31-L35 VanDerWaalsContact O-N 3.13Å; Y32-L35 PolarHBondContact O-N 3.06Å; L35-E38 WeakPolarHBondContact O-CB 3.33Å; L35-E38 PolarHBondContact O-N 3.11Å; L35-L39 PolarHBondContact O-N 2.85Å
36	Y	89.2	Confident	88.9	Confident	43 Å²	43	71.6 Å²	71.6	17%	0.169	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-45.2	176.1	-171.4	-89.6	0	0	0	111.6	L12 Y32 K34 E38 L39 V40 P55 T56 V59	L12-Y36 HydrophobicContact CD1-CD2 4.38Å; Y32-Y36 HydrophobicContact CE1-CD2 4.16Å; Y32-Y36 HydrophobicContact CE1-CG 4.42Å; Y32-Y36 WeakPolarHBondContact O-CB 3.37Å; Y32-Y36 PolarHBondContact O-N 3.12Å; K34-Y36 VanDerWaalsContact C-N 3.34Å; Y36-E38 VanDerWaalsContact C-N 3.32Å; Y36-E38 PolarHBondContact O-N 2.86Å; Y36-L39 PolarHBondContact O-N 3.1Å; Y36-V40 HydrophobicContact CD1-CG2 3.91Å; Y36-V40 HydrophobicContact CE1-CG2 3.61Å; Y36-V40 WeakPolarHBondContact O-CG2 3.37Å; Y36-V40 PolarHBondContact O-N 3.35Å; Y36-P55 HydrophobicContact CD2-CB 4.37Å; Y36-P55 HydrophobicContact CE2-CB 3.9Å; Y36-P55 PolarHBondContact OH-O 3.49Å; Y36-T56 HydrophobicContact CE2-CG2 4.35Å; Y36-T56 WeakPolarHBondContact OH-CA 3.21Å; Y36-V59 WeakPolarHBondContact OH-CG2 3.3Å
37	R	89.3	Confident	88.9	Confident	175 Å²	175	70.8 Å²	70.8	66%	0.66	36%	0.362	S	S	*	.	H	α-helix	trans	-61.1	-40.1	174.1	-75.2	173	-170.9	-176.6	5.9	112.2	D33 K34 L39 V40 E41	D33-R37 WeakPolarHBondContact O-CB 3.47Å; D33-R37 WeakPolarHBondContact O-CG 3.49Å; D33-R37 PolarHBondContact O-N 3.45Å; K34-R37 PolarHBondContact O-N 3.31Å; R37-L39 VanDerWaalsContact C-N 3.34Å; R37-V40 PolarHBondContact O-N 3.49Å; R37-E41 WeakPolarHBondContact O-CG 3.31Å; R37-E41 PolarHBondContact O-N 2.96Å
38	E	94.5	Very high	89	Confident	68 Å²	68	76.2 Å²	76.2	32%	0.318	39%	0.385	S	S	.	.	H	α-helix	trans	-59.6	-45.8	174.6	-170.5	-174.7	155.7	0	0	111.1	R4 L8 K34 L35 Y36 E41 L42	R4-E38 IonicContact CZ-OE1 3.78Å; R4-E38 IonicContact CZ-OE2 3.33Å; R4-E38 IonicContact NE-OE1 2.61Å; R4-E38 PolarHBondContact NE-OE1 3.35Å; R4-E38 VanDerWaalsContact NH2-CD 3.3Å; R4-E38 IonicContact NH2-OE1 2.8Å; R4-E38 PolarHBondContact NH2-OE1 3.25Å; R4-E38 IonicContact NH2-OE2 3.04Å; R4-E38 PolarHBondContact NH2-OE2 3.22Å; L8-E38 HydrophobicContact CD1-CB 4.24Å; L8-E38 HydrophobicContact CD1-CG 3.9Å; K34-E38 PolarHBondContact O-N 3.33Å; L35-E38 WeakPolarHBondContact O-CB 3.33Å; L35-E38 PolarHBondContact O-N 3.11Å; Y36-E38 VanDerWaalsContact C-N 3.32Å; Y36-E38 PolarHBondContact O-N 2.86Å; E38-E41 PolarHBondContact O-N 3.3Å; E38-L42 HydrophobicContact CG-CD1 4.15Å; E38-L42 VanDerWaalsContact O-CG 3.29Å; E38-L42 WeakPolarHBondContact O-CG 3.3Å; E38-L42 PolarHBondContact O-N 3.22Å
39	L	94	Very high	89.4	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-45.1	177.7	-180	60.3	0	0	0	112	I5 L8 V9 L12 L35 Y36 R37 E41 L42 E43 T56	I5-L39 HydrophobicContact CG2-CD1 4.05Å; L8-L39 HydrophobicContact CB-CB 4.32Å; L8-L39 HydrophobicContact CB-CD1 4.19Å; L8-L39 HydrophobicContact CD1-CB 4.21Å; V9-L39 HydrophobicContact CG2-CD1 3.81Å; V9-L39 HydrophobicContact CG2-CD2 3.72Å; V9-L39 HydrophobicContact CG2-CG 4.44Å; L12-L39 HydrophobicContact CD1-CB 3.94Å; L12-L39 HydrophobicContact CD1-CD2 3.56Å; L12-L39 HydrophobicContact CD1-CG 4.41Å; L35-L39 PolarHBondContact O-N 2.85Å; Y36-L39 PolarHBondContact O-N 3.1Å; R37-L39 VanDerWaalsContact C-N 3.34Å; L39-E41 VanDerWaalsContact C-N 3.35Å; L39-E41 PolarHBondContact O-N 2.84Å; L39-L42 PolarHBondContact O-N 3.3Å; L39-E43 HydrophobicContact CD1-CG 3.98Å; L39-E43 HydrophobicContact CG-CG 4.45Å; L39-E43 WeakPolarHBondContact O-CB 3.49Å; L39-E43 WeakPolarHBondContact O-CG 3.4Å; L39-E43 PolarHBondContact O-N 2.9Å; L39-T56 HydrophobicContact CD2-CG2 3.88Å; L39-T56 HydrophobicContact CG-CG2 3.87Å
40	V	88.4	Confident	89.7	Confident	55 Å²	55	73.7 Å²	73.7	33%	0.333	37%	0.366	S	S	.	.	H	α-helix	trans	-57.7	-46.1	177.5	169.4	0	0	0	0	111.5	Y36 R37 K44 T56	Y36-V40 HydrophobicContact CD1-CG2 3.91Å; Y36-V40 HydrophobicContact CE1-CG2 3.61Å; Y36-V40 WeakPolarHBondContact O-CG2 3.37Å; Y36-V40 PolarHBondContact O-N 3.35Å; R37-V40 PolarHBondContact O-N 3.49Å; V40-K44 VanDerWaalsContact O-CB 3.26Å; V40-K44 WeakPolarHBondContact O-CB 3.48Å; V40-K44 PolarHBondContact O-N 3.19Å; V40-T56 HydrophobicContact CG2-CG2 3.67Å
41	E	90.9	Very high	89.8	Confident	117 Å²	117	70.8 Å²	70.8	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-39	178.5	-70.4	-59.8	135.5	0	0	111.9	R37 E38 L39 A45	R37-E41 WeakPolarHBondContact O-CG 3.31Å; R37-E41 PolarHBondContact O-N 2.96Å; E38-E41 PolarHBondContact O-N 3.3Å; L39-E41 VanDerWaalsContact C-N 3.35Å; L39-E41 PolarHBondContact O-N 2.84Å; E41-A45 WeakPolarHBondContact O-CB 3.28Å; E41-A45 PolarHBondContact O-N 2.93Å
42	L	92.7	Very high	89.2	Confident	22 Å²	22	71.3 Å²	71.3	12%	0.115	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-43.6	177.4	-74	171.6	0	0	0	112.6	M1 R4 I5 L8 E38 L39 A45 H46	M1-L42 HydrophobicContact CE-CD2 3.32Å; M1-L42 HydrophobicContact SD-CD2 4.15Å; R4-L42 HydrophobicContact CG-CD1 3.96Å; I5-L42 HydrophobicContact CD1-CB 4.27Å; I5-L42 HydrophobicContact CG1-CB 3.95Å; I5-L42 HydrophobicContact CG1-CD1 4.25Å; L8-L42 HydrophobicContact CD1-CD1 3.49Å; L8-L42 VanDerWaalsContact CD1-CD1 3.49Å; E38-L42 HydrophobicContact CG-CD1 4.15Å; E38-L42 VanDerWaalsContact O-CG 3.29Å; E38-L42 WeakPolarHBondContact O-CG 3.3Å; E38-L42 PolarHBondContact O-N 3.22Å; L39-L42 PolarHBondContact O-N 3.3Å; L42-A45 PolarHBondContact O-N 2.88Å; L42-H46 WeakPolarHBondContact O-CB 3.49Å; L42-H46 PolarHBondContact O-N 3.42Å
43	E	91.8	Very high	88.8	Confident	8 Å²	8	70.5 Å²	70.5	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-72.2	-33.1	179.2	-76.6	-174.7	160.4	0	0	112.8	L39 A45 H46 P47 I50 S54 T56	L39-E43 HydrophobicContact CD1-CG 3.98Å; L39-E43 HydrophobicContact CG-CG 4.45Å; L39-E43 WeakPolarHBondContact O-CB 3.49Å; L39-E43 WeakPolarHBondContact O-CG 3.4Å; L39-E43 PolarHBondContact O-N 2.9Å; E43-A45 VanDerWaalsContact C-N 3.32Å; E43-H46 CarbonylContact O-C 3.56Å; E43-H46 PolarHBondContact O-N 3.41Å; E43-P47 WeakPolarHBondContact O-CA 3.08Å; E43-P47 VanDerWaalsContact O-N 3.1Å; E43-I50 HydrophobicContact CB-CD1 4.31Å; E43-I50 HydrophobicContact CB-CG1 3.8Å; E43-I50 HydrophobicContact CG-CG1 3.87Å; E43-S54 WeakPolarHBondContact OE1-CB 3.17Å; E43-S54 PolarHBondContact OE1-OG 2.61Å; E43-S54 PolarHBondContact OE2-OG 3.41Å; E43-T56 WeakPolarHBondContact OE2-CB 3.34Å; E43-T56 VanDerWaalsContact OE2-CG2 3.23Å; E43-T56 WeakPolarHBondContact OE2-CG2 3.4Å; E43-T56 PolarHBondContact OE2-OG1 3.46Å
44	K	87.7	Confident	88.8	Confident	155 Å²	155	66.9 Å²	66.9	67%	0.674	34%	0.335	S	S	*	.	H	α-helix	trans	-65.3	-37.5	171.3	-174.3	-179.6	177.1	-173.3	0	111.8	V40	V40-K44 VanDerWaalsContact O-CB 3.26Å; V40-K44 WeakPolarHBondContact O-CB 3.48Å; V40-K44 PolarHBondContact O-N 3.19Å
45	A	90.7	Very high	88.3	Confident	65 Å²	65	59.7 Å²	59.7	54%	0.537	30%	0.303	S	S	.	.	H	α-helix	trans	-75.1	-25.4	175.7	0	0	0	0	0	113.2	E41 L42 E43	E41-A45 WeakPolarHBondContact O-CB 3.28Å; E41-A45 PolarHBondContact O-N 2.93Å; L42-A45 PolarHBondContact O-N 2.88Å; E43-A45 VanDerWaalsContact C-N 3.32Å
46	H	90.6	Very high	87.6	Confident	50 Å²	50	59.4 Å²	59.4	23%	0.231	30%	0.303	C	S	.	.			trans	-135.1	68.9	-178	-62.5	-72.9	0	0	0	112.5	I5 L42 E43 E48 L49	I5-H46 HydrophobicContact CD1-CB 4.49Å; L42-H46 WeakPolarHBondContact O-CB 3.49Å; L42-H46 PolarHBondContact O-N 3.42Å; E43-H46 CarbonylContact O-C 3.56Å; E43-H46 PolarHBondContact O-N 3.41Å; H46-E48 VanDerWaalsContact C-OE2 3.27Å; H46-E48 WeakPolarHBondContact CA-OE2 3.33Å; H46-E48 IonicContact CG-OE1 2.78Å; H46-E48 IonicContact ND1-OE1 2.69Å; H46-E48 PolarHBondContact ND1-OE1 3.19Å; H46-E48 PolarHBondContact O-N 3.12Å; H46-E48 VanDerWaalsContact O-N 3.12Å; H46-L49 HydrophobicContact CB-CB 4.07Å; H46-L49 HydrophobicContact CB-CD1 3.81Å; H46-L49 HydrophobicContact CB-CG 3.98Å; H46-L49 PolarHBondContact O-N 3.34Å
47	P	86.7	Confident	86.9	Confident	81 Å²	81	61.2 Å²	61.2	53%	0.526	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.8	-178	-24.3	34.7	0	0	0	113.7	E43 L49 I50	E43-P47 WeakPolarHBondContact O-CA 3.08Å; E43-P47 VanDerWaalsContact O-N 3.1Å; P47-L49 PolarHBondContact O-N 3.14Å; P47-I50 HydrophobicContact CB-CD1 4.42Å; P47-I50 WeakPolarHBondContact O-CG1 3.47Å; P47-I50 PolarHBondContact O-N 3.08Å
48	E	88.9	Confident	85.6	Confident	136 Å²	136	53.8 Å²	53.8	64%	0.636	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-69.7	-13.6	177	74.4	-72.3	173.5	0	0	114.2	H46	H46-E48 VanDerWaalsContact C-OE2 3.27Å; H46-E48 WeakPolarHBondContact CA-OE2 3.33Å; H46-E48 IonicContact CG-OE1 2.78Å; H46-E48 IonicContact ND1-OE1 2.69Å; H46-E48 PolarHBondContact ND1-OE1 3.19Å; H46-E48 PolarHBondContact O-N 3.12Å; H46-E48 VanDerWaalsContact O-N 3.12Å
49	L	90.6	Very high	83.7	Confident	41 Å²	41	55.1 Å²	55.1	22%	0.215	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-104.3	0.6	-179.6	-60.9	-176.4	0	0	0	113.4	M1 K2 I5 H46 P47 L51	M1-L49 HydrophobicContact CB-CD1 4.27Å; K2-L49 HydrophobicContact CB-CD1 4.3Å; K2-L49 HydrophobicContact CB-CD2 4.4Å; K2-L49 HydrophobicContact CD-CD2 4.48Å; K2-L49 HydrophobicContact CG-CD2 4.44Å; I5-L49 HydrophobicContact CD1-CB 3.73Å; I5-L49 HydrophobicContact CD1-CD1 4.07Å; H46-L49 HydrophobicContact CB-CB 4.07Å; H46-L49 HydrophobicContact CB-CD1 3.81Å; H46-L49 HydrophobicContact CB-CG 3.98Å; H46-L49 PolarHBondContact O-N 3.34Å; P47-L49 PolarHBondContact O-N 3.14Å; L49-L51 PolarHBondContact O-N 3.44Å
50	I	85.9	Confident	81.8	Confident	59 Å²	59	57 Å²	57	30%	0.303	32%	0.318	S	S	.	.			trans	-58.4	123.9	177	-66.5	174.2	0	0	0	109.1	E43 P47 Q57	E43-I50 HydrophobicContact CB-CD1 4.31Å; E43-I50 HydrophobicContact CB-CG1 3.8Å; E43-I50 HydrophobicContact CG-CG1 3.87Å; P47-I50 HydrophobicContact CB-CD1 4.42Å; P47-I50 WeakPolarHBondContact O-CG1 3.47Å; P47-I50 PolarHBondContact O-N 3.08Å; I50-Q57 HydrophobicContact CG2-CG 4.14Å; I50-Q57 VanDerWaalsContact CG2-NE2 3.26Å
51	L	85.2	Confident	80.5	Confident	27 Å²	27	56.9 Å²	56.9	14%	0.141	33%	0.327	C	S	.	.			trans	-85.9	140.5	178.8	-62.5	175.8	0	0	0	110	I5 Q6 V9 L49 N53 S54	I5-L51 HydrophobicContact CG2-CD1 4.23Å; I5-L51 HydrophobicContact CG2-CG 4.29Å; Q6-L51 HydrophobicContact CB-CD1 4.3Å; V9-L51 HydrophobicContact CB-CD1 4.13Å; V9-L51 HydrophobicContact CG1-CD1 4.15Å; V9-L51 HydrophobicContact CG2-CD1 4.1Å; L49-L51 PolarHBondContact O-N 3.44Å; L51-N53 WeakPolarHBondContact CB-OD1 3.4Å; L51-N53 PolarHBondContact O-N 3.23Å; L51-N53 VanDerWaalsContact O-N 3.1Å; L51-S54 WeakPolarHBondContact O-CB 3.37Å; L51-S54 PolarHBondContact O-N 3.16Å
52	P	75.4	Confident	79.8	Confident	108 Å²	108	54.9 Å²	54.9	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.6	178.6	-27	34.5	0	0	0	114.6
53	N	79.9	Confident	79.2	Confident	20 Å²	20	58.5 Å²	58.5	11%	0.107	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	16.8	178	70	-50.1	0	0	0	113.3	N13 L51 K152	N13-N53 PolarHBondContact ND2-O 3.25Å; L51-N53 WeakPolarHBondContact CB-OD1 3.4Å; L51-N53 PolarHBondContact O-N 3.23Å; L51-N53 VanDerWaalsContact O-N 3.1Å; N53-K152 HydrophobicContact CB-CB 3.66Å; N53-K152 HydrophobicContact CB-CD 4.22Å
54	S	85.8	Confident	78.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.348	C	S	.	.			trans	-72.1	130.1	179.7	179.4	0	0	0	0	111.5	E43 L51 T56 Q57	E43-S54 WeakPolarHBondContact OE1-CB 3.17Å; E43-S54 PolarHBondContact OE1-OG 2.61Å; E43-S54 PolarHBondContact OE2-OG 3.41Å; L51-S54 WeakPolarHBondContact O-CB 3.37Å; L51-S54 PolarHBondContact O-N 3.16Å; S54-T56 PolarHBondContact O-N 2.81Å; S54-T56 PolarHBondContact OG-OG1 3.25Å; S54-Q57 WeakPolarHBondContact O-CB 3.22Å; S54-Q57 PolarHBondContact O-N 3.17Å; S54-Q57 VanDerWaalsContact O-N 3.13Å
55	P	81.5	Confident	78.4	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.013	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-56.9	-19.7	175.6	-27.3	35	0	0	0	115.3	L12 N13 Y36 Q57 E58	L12-P55 HydrophobicContact CB-CG 3.89Å; N13-P55 WeakPolarHBondContact OD1-CG 3.31Å; Y36-P55 HydrophobicContact CD2-CB 4.37Å; Y36-P55 HydrophobicContact CE2-CB 3.9Å; Y36-P55 PolarHBondContact OH-O 3.49Å; P55-Q57 VanDerWaalsContact C-N 3.28Å; P55-Q57 PolarHBondContact O-N 3.15Å; P55-E58 WeakPolarHBondContact O-CB 3.34Å; P55-E58 PolarHBondContact O-N 2.86Å
56	T	80.3	Confident	78	Confident	16 Å²	16	59.4 Å²	59.4	10%	0.098	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-71.8	-25.2	179.5	64.8	0	0	0	0	112.8	Y36 L39 V40 E43 S54 E58 V59	Y36-T56 HydrophobicContact CE2-CG2 4.35Å; Y36-T56 WeakPolarHBondContact OH-CA 3.21Å; L39-T56 HydrophobicContact CD2-CG2 3.88Å; L39-T56 HydrophobicContact CG-CG2 3.87Å; V40-T56 HydrophobicContact CG2-CG2 3.67Å; E43-T56 WeakPolarHBondContact OE2-CB 3.34Å; E43-T56 VanDerWaalsContact OE2-CG2 3.23Å; E43-T56 WeakPolarHBondContact OE2-CG2 3.4Å; E43-T56 PolarHBondContact OE2-OG1 3.46Å; S54-T56 PolarHBondContact O-N 2.81Å; S54-T56 PolarHBondContact OG-OG1 3.25Å; T56-E58 PolarHBondContact O-N 3.13Å; T56-E58 VanDerWaalsContact O-N 3.16Å; T56-V59 PolarHBondContact O-N 2.83Å; T56-V59 VanDerWaalsContact O-N 3.16Å
57	Q	73.4	Confident	77.9	Confident	81 Å²	81	59.6 Å²	59.6	38%	0.379	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-67.2	-16.8	179.7	-57.9	-53.3	-67.6	0	0	111.6	I50 S54 P55 V59 R145	I50-Q57 HydrophobicContact CG2-CG 4.14Å; I50-Q57 VanDerWaalsContact CG2-NE2 3.26Å; S54-Q57 WeakPolarHBondContact O-CB 3.22Å; S54-Q57 PolarHBondContact O-N 3.17Å; S54-Q57 VanDerWaalsContact O-N 3.13Å; P55-Q57 VanDerWaalsContact C-N 3.28Å; P55-Q57 PolarHBondContact O-N 3.15Å; Q57-V59 VanDerWaalsContact C-N 3.34Å; Q57-R145 PolarHBondContact O-NH1 3.09Å; Q57-R145 PolarHBondContact O-NH2 2.87Å
58	E	62.6	Low	78.1	Confident	18 Å²	18	62.9 Å²	62.9	8%	0.084	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-75.2	-16.2	175.7	-62.3	-167.5	170.9	0	0	114.7	R16 P55 T56 K144 R145 H151	R16-E58 VanDerWaalsContact CZ-CD 3.43Å; R16-E58 IonicContact CZ-OE1 2.94Å; R16-E58 IonicContact CZ-OE2 2.89Å; R16-E58 VanDerWaalsContact CZ-OE2 3.26Å; R16-E58 IonicContact NH1-OE1 2.8Å; R16-E58 PolarHBondContact NH1-OE1 2.78Å; R16-E58 IonicContact NH1-OE2 3.71Å; R16-E58 PolarHBondContact NH1-OE2 3.36Å; R16-E58 IonicContact NH2-OE1 3.45Å; R16-E58 PolarHBondContact NH2-OE1 3.03Å; R16-E58 IonicContact NH2-OE2 2.91Å; R16-E58 PolarHBondContact NH2-OE2 2.95Å; P55-E58 WeakPolarHBondContact O-CB 3.34Å; P55-E58 PolarHBondContact O-N 2.86Å; T56-E58 PolarHBondContact O-N 3.13Å; T56-E58 VanDerWaalsContact O-N 3.16Å; E58-K144 WeakPolarHBondContact CG-O 3.28Å; E58-R145 WeakPolarHBondContact O-CD 3.25Å; E58-R145 PolarHBondContact O-NH1 3.4Å; E58-H151 IonicContact OE1-CD2 3.86Å; E58-H151 IonicContact OE1-CE1 2.76Å; E58-H151 PolarHBondContact OE1-CE1 3.21Å; E58-H151 IonicContact OE1-NE2 3.25Å; E58-H151 PolarHBondContact OE1-NE2 3.26Å
59	V	54.4	Low	78.2	Confident	97 Å²	97	65 Å²	65	59%	0.588	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-16.8	-179	-173.2	0	0	0	0	112.2	Y36 T56 Q57 G61	Y36-V59 WeakPolarHBondContact OH-CG2 3.3Å; T56-V59 PolarHBondContact O-N 2.83Å; T56-V59 VanDerWaalsContact O-N 3.16Å; Q57-V59 VanDerWaalsContact C-N 3.34Å; V59-G61 PolarHBondContact O-N 2.81Å; V59-G61 VanDerWaalsContact O-N 3.16Å
60	G	55	Low	78.2	Confident	40 Å²	40	65 Å²	65	41%	0.412	37%	0.369	S	S	.	.			trans	-58.7	117.6	177.7	0	0	0	0	0	112.4	L62 R145 T203	G60-L62 PolarHBondContact O-N 2.98Å; G60-R145 PolarHBondContact O-NH1 2.78Å; G60-R145 PolarHBondContact O-NH2 3.06Å; G60-T203 PolarHBondContact O-OG1 2.78Å
61	G	61.1	Low	78.7	Confident	51 Å²	51	68 Å²	68	53%	0.526	38%	0.382	S	S	.	.			trans	-78.5	104	-179.4	0	0	0	0	0	112.5	V59	V59-G61 PolarHBondContact O-N 2.81Å; V59-G61 VanDerWaalsContact O-N 3.16Å
62	L	76.2	Confident	79	Confident	75 Å²	75	67.1 Å²	67.1	39%	0.393	38%	0.377	S	S	.	.			trans	-97.2	136.1	170.9	-178.5	63.8	0	0	0	108.5	G60 L64 E141 T203	G60-L62 PolarHBondContact O-N 2.98Å; L62-L64 HydrophobicContact CD2-CD2 3.51Å; L62-L64 HydrophobicContact CG-CD2 3.92Å; L62-E141 HydrophobicContact CD2-CB 4.39Å; L62-E141 HydrophobicContact CD2-CG 3.95Å; L62-T203 HydrophobicContact CB-CG2 3.99Å; L62-T203 PolarHBondContact N-OG1 3.08Å; L62-T203 PolarHBondContact O-N 3.2Å; L62-T203 PolarHBondContact O-OG1 3.17Å
63	V	80.3	Confident	79.6	Confident	98 Å²	98	70.2 Å²	70.2	59%	0.594	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-104.5	114.3	168.1	-177.6	0	0	0	0	106.9	L201	V63-L201 CarbonylContact C-O 3.6Å; V63-L201 WeakPolarHBondContact CA-O 3.39Å
64	L	82.6	Confident	79.9	Confident	30 Å²	30	71.8 Å²	71.8	16%	0.157	39%	0.392	C	S	.	.			trans	-80.2	143.8	179.5	-55.9	172.6	0	0	0	110.2	L62 G66 F67 E141 L201	L62-L64 HydrophobicContact CD2-CD2 3.51Å; L62-L64 HydrophobicContact CG-CD2 3.92Å; L64-G66 VanDerWaalsContact C-N 3.28Å; L64-F67 HydrophobicContact CD1-CE1 3.85Å; L64-F67 HydrophobicContact CD1-CZ 4.3Å; L64-E141 HydrophobicContact CD1-CB 4.34Å; L64-E141 HydrophobicContact CD2-CB 4.04Å; L64-E141 HydrophobicContact CD2-CG 4.09Å; L64-L201 HydrophobicContact CB-CD2 4.17Å; L64-L201 WeakPolarHBondContact CG-O 3.34Å; L64-L201 PolarHBondContact N-O 3.38Å
65	D	79	Confident	79.9	Confident	177 Å²	177	74.1 Å²	74.1	95%	0.947	41%	0.408	S	S	*	.	S	Bend	trans	-75	-20.6	173.9	-67.6	-38.3	0	0	0	112.5
66	G	82.7	Confident	80.2	Confident	41 Å²	41	74.6 Å²	74.6	42%	0.423	41%	0.41	S	S	.	.			trans	167	-171.3	-178.1	0	0	0	0	0	112	L64	L64-G66 VanDerWaalsContact C-N 3.28Å
67	F	89.1	Confident	80.4	Confident	54 Å²	54	78.3 Å²	78.3	24%	0.237	42%	0.423	C	S	.	.			trans	-114.9	133.3	174.4	-59.2	-76.6	0	0	0	110.3	L64 E137 N138 I139 R199 L201	L64-F67 HydrophobicContact CD1-CE1 3.85Å; L64-F67 HydrophobicContact CD1-CZ 4.3Å; F67-E137 HydrophobicContact CB-CB 4.24Å; F67-N138 WeakPolarHBondContact CD1-O 3.35Å; F67-I139 HydrophobicContact CD1-CG2 3.83Å; F67-I139 HydrophobicContact CE1-CG2 3.96Å; F67-R199 HydrophobicContact CE2-CB 4.05Å; F67-R199 WeakPolarHBondContact CE2-O 3.29Å; F67-R199 VanDerWaalsContact CZ-C 3.47Å; F67-R199 VanDerWaalsContact CZ-CA 3.49Å; F67-R199 HydrophobicContact CZ-CB 4.37Å; F67-L201 HydrophobicContact CD2-CD2 4.4Å; F67-L201 HydrophobicContact CE2-CD2 3.82Å; F67-L201 HydrophobicContact CZ-CD2 4.21Å
68	E	90.7	Very high	81.2	Confident	149 Å²	149	77.4 Å²	77.4	70%	0.696	43%	0.425	S	S	*	.			trans	-86.4	151.1	175.3	-63.3	-174.6	164.6	0	0	110.7	E137 N138	E68-E137 CarbonylContact O-C 3.58Å; E68-E137 WeakPolarHBondContact O-CA 3.47Å; E68-N138 PolarHBondContact O-N 3.46Å
69	K	90.5	Very high	82.6	Confident	181 Å²	181	79 Å²	79	79%	0.787	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.2	171	-71	-177.5	176.3	-174	0	109.8	V135 G136	K69-V135 HydrophobicContact CB-CG1 3.87Å; K69-V135 HydrophobicContact CD-CG1 4.09Å; K69-V135 HydrophobicContact CG-CG1 4.13Å; K69-G136 CarbonylContact C-O 3.54Å; K69-G136 WeakPolarHBondContact CA-O 3.47Å
70	Y	91.5	Very high	84.4	Confident	40 Å²	40	78.9 Å²	78.9	16%	0.157	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.7	175.4	-178.3	-101.9	0	0	0	110.4	H72 V126 A128 V135 G136	Y70-H72 AromaticContact CD1-CE1 3.73Å; Y70-H72 AromaticContact CD1-ND1 3.68Å; Y70-H72 AromaticContact CE1-ND1 3.59Å; Y70-V126 HydrophobicContact CD2-CG1 3.82Å; Y70-V126 HydrophobicContact CE1-CG1 4.31Å; Y70-V126 HydrophobicContact CE2-CB 4.26Å; Y70-V126 HydrophobicContact CE2-CG1 3.61Å; Y70-V126 HydrophobicContact CE2-CG2 4.02Å; Y70-V126 HydrophobicContact CG-CG1 4.27Å; Y70-A128 HydrophobicContact CD1-CB 3.37Å; Y70-A128 HydrophobicContact CE1-CB 3.99Å; Y70-A128 HydrophobicContact CG-CB 3.79Å; Y70-V135 CarbonylContact O-C 3.59Å; Y70-V135 WeakPolarHBondContact O-CA 3.27Å; Y70-G136 PolarHBondContact N-O 3.03Å; Y70-G136 PolarHBondContact O-N 3.35Å
71	Q	94.8	Very high	86.2	Confident	123 Å²	123	80.1 Å²	80.1	58%	0.575	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.2	174.9	-178.3	66.3	48.2	0	0	109	S134 V135	Q71-S134 PolarHBondContact NE2-O 3.43Å; Q71-V135 VanDerWaalsContact OE1-CG2 3.29Å
72	H	92.4	Very high	87.8	Confident	9 Å²	9	77.7 Å²	77.7	4%	0.042	40%	0.399	C	S	.	.			trans	-74.7	133.2	175.7	-64.4	-75.7	0	0	0	110.3	Y70 T74 L76 T129 S134	Y70-H72 AromaticContact CD1-CE1 3.73Å; Y70-H72 AromaticContact CD1-ND1 3.68Å; Y70-H72 AromaticContact CE1-ND1 3.59Å; H72-T74 VanDerWaalsContact C-N 3.3Å; H72-T74 PolarHBondContact O-N 3.49Å; H72-L76 HydrophobicContact CB-CD1 3.89Å; H72-L76 VanDerWaalsContact CG-CD1 3.45Å; H72-T129 PolarHBondContact CE1-O 3.36Å; H72-T129 VanDerWaalsContact CE1-O 3.31Å; H72-T129 PolarHBondContact NE2-O 3.3Å; H72-S134 PolarHBondContact CD2-O 3.09Å; H72-S134 PolarHBondContact N-O 3.23Å
73	E	87.6	Confident	88.4	Confident	172 Å²	172	79.7 Å²	79.7	80%	0.804	41%	0.405	S	S	*	.	S	Bend	trans	-65.5	-36.3	176.5	-63.8	-174	162.9	0	0	112
74	T	86.4	Confident	88.9	Confident	53 Å²	53	76.6 Å²	76.6	33%	0.325	39%	0.388	S	S	.	.	S	Bend	trans	-120.3	132.5	175.1	-58.1	0	0	0	0	108.9	H72 R162 V219	H72-T74 VanDerWaalsContact C-N 3.3Å; H72-T74 PolarHBondContact O-N 3.49Å; T74-R162 PolarHBondContact O-NH2 2.85Å; T74-V219 HydrophobicContact CG2-CG1 4.02Å
75	P	86.2	Confident	89.5	Confident	50 Å²	50	79.8 Å²	79.8	33%	0.325	40%	0.398	S	S	.	.			trans	-58.4	148.3	177	-26.4	35	0	0	0	114.2	Y77 G133 R162	P75-Y77 HydrophobicContact CB-CD2 4.47Å; P75-Y77 HydrophobicContact CB-CE2 3.99Å; P75-G133 CarbonylContact C-O 3.55Å; P75-G133 VanDerWaalsContact CA-O 3.31Å; P75-G133 WeakPolarHBondContact CA-O 3.29Å; P75-R162 PolarHBondContact O-NH1 3.1Å; P75-R162 PolarHBondContact O-NH2 3.16Å
76	L	86.8	Confident	90.3	Very high	12 Å²	12	76.9 Å²	76.9	6%	0.063	38%	0.378	C	S	.	.			trans	-99.9	89.3	172.5	-73.2	80.8	0	0	0	109.3	H72 R130 G133	H72-L76 HydrophobicContact CB-CD1 3.89Å; H72-L76 VanDerWaalsContact CG-CD1 3.45Å; L76-R130 HydrophobicContact CB-CG 3.92Å; L76-R130 HydrophobicContact CD2-CB 4.02Å; L76-R130 HydrophobicContact CD2-CG 4Å; L76-R130 PolarHBondContact O-NE 3.26Å; L76-R130 VanDerWaalsContact O-NE 3.16Å; L76-R130 PolarHBondContact O-NH2 2.76Å; L76-G133 PolarHBondContact N-O 2.94Å
77	Y	86.1	Confident	91	Very high	93 Å²	93	78.7 Å²	78.7	37%	0.365	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-64.4	143.7	178	-66.7	-81.9	0	0	0	112.1	P75 F290	P75-Y77 HydrophobicContact CB-CD2 4.47Å; P75-Y77 HydrophobicContact CB-CE2 3.99Å; Y77-F290 HydrophobicContact CD1-CD1 4.2Å; Y77-F290 AromaticContact CD2-CD1 3.49Å; Y77-F290 HydrophobicContact CD2-CD1 3.49Å; Y77-F290 VanDerWaalsContact CD2-CD1 3.49Å; Y77-F290 AromaticContact CD2-CE1 3.33Å; Y77-F290 HydrophobicContact CD2-CE1 3.33Å; Y77-F290 HydrophobicContact CD2-CG 4.5Å; Y77-F290 HydrophobicContact CD2-CZ 4.23Å; Y77-F290 HydrophobicContact CE1-CD1 4.27Å; Y77-F290 AromaticContact CE2-CD1 3.58Å; Y77-F290 HydrophobicContact CE2-CD1 3.58Å; Y77-F290 AromaticContact CE2-CE1 3.61Å; Y77-F290 HydrophobicContact CE2-CE1 3.61Å; Y77-F290 HydrophobicContact CE2-CG 4.17Å; Y77-F290 HydrophobicContact CE2-CZ 4.22Å; Y77-F290 AromaticContact CG-CD1 3.82Å; Y77-F290 HydrophobicContact CG-CD1 3.82Å; Y77-F290 AromaticContact CG-CE1 3.99Å; Y77-F290 HydrophobicContact CG-CE1 3.99Å; Y77-F290 AromaticContact CZ-CD1 3.98Å
78	S	88.5	Confident	91.4	Very high	62 Å²	62	76.1 Å²	76.1	43%	0.434	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-75.7	150.4	164.4	-69.1	0	0	0	0	109.1	R130 A294 P295	S78-R130 PolarHBondContact OG-NH2 3.12Å; S78-A294 VanDerWaalsContact O-CA 3.31Å; S78-A294 WeakPolarHBondContact O-CA 3.21Å; S78-A294 VanDerWaalsContact O-CB 3.27Å; S78-A294 WeakPolarHBondContact O-CB 3.35Å; S78-P295 WeakPolarHBondContact O-CD 3.31Å
79	L	92.5	Very high	91.8	Very high	51 Å²	51	72.5 Å²	72.5	27%	0.267	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-79.1	150.1	170.7	-60.3	179.2	0	0	0	109.8	V276 P295 A298 A300	L79-V276 HydrophobicContact CD1-CB 4.35Å; L79-V276 HydrophobicContact CD1-CG1 3.61Å; L79-V276 HydrophobicContact CD1-CG2 3.83Å; L79-P295 HydrophobicContact CD2-CG 3.69Å; L79-A298 HydrophobicContact CD2-CB 3.75Å; L79-A300 HydrophobicContact CB-CB 3.9Å; L79-A300 HydrophobicContact CD1-CB 4Å
80	Q	93.1	Very high	92.1	Very high	96 Å²	96	66.9 Å²	66.9	45%	0.449	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.2	164.6	178.9	173.7	-0.8	0	0	108.2	A294 I299 A300	Q80-A294 HydrophobicContact CB-CB 4.35Å; Q80-I299 HydrophobicContact CB-CG1 4.46Å; Q80-I299 VanDerWaalsContact O-CG1 3.28Å; Q80-I299 WeakPolarHBondContact O-CG1 3.27Å; Q80-A300 PolarHBondContact O-N 3.48Å
81	D	92.7	Very high	92.4	Very high	66 Å²	66	65.1 Å²	65.1	35%	0.353	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	148	174.9	-65.4	-41.3	0	0	0	110.7	F83 A300 K302	D81-F83 HydrophobicContact CB-CE2 3.72Å; D81-F83 HydrophobicContact CB-CZ 3.74Å; D81-A300 CarbonylContact C-O 3.55Å; D81-A300 WeakPolarHBondContact CA-O 3.15Å; D81-K302 HydrophobicContact CB-CG 4.26Å
82	A	93.6	Very high	92.6	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.4	165.2	0	0	0	0	0	109.8	E87 L88 I299 A300 Y301 K302	A82-E87 WeakPolarHBondContact CA-OE2 3.48Å; A82-E87 HydrophobicContact CB-CB 3.97Å; A82-L88 HydrophobicContact CB-CD2 3.65Å; A82-L88 HydrophobicContact CB-CG 4.23Å; A82-I299 HydrophobicContact CB-CD1 3.74Å; A82-I299 HydrophobicContact CB-CG1 4Å; A82-A300 PolarHBondContact N-O 2.8Å; A82-Y301 CarbonylContact O-C 3.6Å; A82-Y301 WeakPolarHBondContact O-CA 3.21Å; A82-K302 PolarHBondContact O-N 2.88Å
83	F	89.2	Confident	92.9	Very high	116 Å²	116	67.1 Å²	67.1	51%	0.509	32%	0.323	S	S	.	.			trans	-117.9	-9.2	-178.1	-60.4	-80.5	0	0	0	113	D81 E87 K302	D81-F83 HydrophobicContact CB-CE2 3.72Å; D81-F83 HydrophobicContact CB-CZ 3.74Å; F83-E87 PolarHBondContact N-OE2 2.97Å; F83-K302 HydrophobicContact CD1-CB 3.81Å; F83-K302 HydrophobicContact CE1-CB 3.57Å; F83-K302 HydrophobicContact CE1-CG 3.99Å; F83-K302 HydrophobicContact CZ-CB 4.43Å; F83-K302 HydrophobicContact CZ-CG 4.43Å
84	S	90.8	Very high	93.3	Very high	33 Å²	33	64.6 Å²	64.6	23%	0.231	31%	0.307	C	S	.	.	S	Bend	trans	-135.5	164.8	-179.1	94.7	0	0	0	0	112.5	E86 E87 L88	S84-E86 VanDerWaalsContact C-N 3.29Å; S84-E86 WeakPolarHBondContact CB-OE2 3.14Å; S84-E86 PolarHBondContact OG-N 3.37Å; S84-E86 PolarHBondContact OG-OE2 2.77Å; S84-E87 PolarHBondContact O-N 2.87Å; S84-E87 PolarHBondContact OG-N 3.24Å; S84-L88 PolarHBondContact O-N 2.91Å
85	R	95.2	Very high	93.9	Very high	98 Å²	98	62.1 Å²	62.1	37%	0.37	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-39	174.5	178	176.3	165.8	159.4	-1	111.2	E87 L88 E89 W255	R85-E87 VanDerWaalsContact C-N 3.31Å; R85-E87 PolarHBondContact O-N 3.26Å; R85-L88 WeakPolarHBondContact O-CB 3.3Å; R85-L88 PolarHBondContact O-N 3.03Å; R85-L88 VanDerWaalsContact O-N 3.13Å; R85-E89 HydrophobicContact CG-CG 4.37Å; R85-E89 IonicContact CZ-OE1 2.82Å; R85-E89 IonicContact NE-OE1 3.24Å; R85-E89 PolarHBondContact NE-OE1 2.8Å; R85-E89 IonicContact NH2-OE1 3.97Å; R85-E89 PolarHBondContact NH2-OE1 2.9Å; R85-E89 WeakPolarHBondContact O-CG 3.44Å; R85-E89 PolarHBondContact O-N 3.47Å; R85-W255 HydrophobicContact CB-CD2 3.98Å; R85-W255 HydrophobicContact CB-CE3 3.88Å; R85-W255 HydrophobicContact CB-CH2 3.84Å; R85-W255 HydrophobicContact CB-CZ2 3.95Å; R85-W255 HydrophobicContact CB-CZ3 3.81Å; R85-W255 HydrophobicContact CG-CD2 3.98Å; R85-W255 HydrophobicContact CG-CE3 4.13Å; R85-W255 HydrophobicContact CG-CG 4.34Å
86	E	96.7	Very high	94.4	Very high	115 Å²	115	62.4 Å²	62.4	54%	0.537	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-40.6	-179.9	-59.8	71.6	-156.5	0	0	110.8	S84 L88 E89 D90	S84-E86 VanDerWaalsContact C-N 3.29Å; S84-E86 WeakPolarHBondContact CB-OE2 3.14Å; S84-E86 PolarHBondContact OG-N 3.37Å; S84-E86 PolarHBondContact OG-OE2 2.77Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 3.47Å; E86-E89 PolarHBondContact O-N 2.76Å; E86-D90 WeakPolarHBondContact O-CB 3.27Å; E86-D90 PolarHBondContact O-N 2.96Å
87	E	96.8	Very high	94.9	Very high	80 Å²	80	65.9 Å²	65.9	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-33.9	175.7	-69.2	179.1	-179.8	0	0	112.6	A82 F83 S84 R85 F91	A82-E87 WeakPolarHBondContact CA-OE2 3.48Å; A82-E87 HydrophobicContact CB-CB 3.97Å; F83-E87 PolarHBondContact N-OE2 2.97Å; S84-E87 PolarHBondContact O-N 2.87Å; S84-E87 PolarHBondContact OG-N 3.24Å; R85-E87 VanDerWaalsContact C-N 3.31Å; R85-E87 PolarHBondContact O-N 3.26Å; E87-F91 PolarHBondContact O-N 3.49Å
88	L	97.9	Very high	95.4	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-72.1	-38.5	172.9	-64.7	-178.1	0	0	0	112.5	A82 S84 R85 E86 D90 F91 D92 M251 W255 I258 I277 I299 Y301	A82-L88 HydrophobicContact CB-CD2 3.65Å; A82-L88 HydrophobicContact CB-CG 4.23Å; S84-L88 PolarHBondContact O-N 2.91Å; R85-L88 WeakPolarHBondContact O-CB 3.3Å; R85-L88 PolarHBondContact O-N 3.03Å; R85-L88 VanDerWaalsContact O-N 3.13Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 3.47Å; L88-D90 VanDerWaalsContact C-N 3.3Å; L88-F91 WeakPolarHBondContact O-CB 3.4Å; L88-F91 PolarHBondContact O-N 3.39Å; L88-D92 PolarHBondContact O-N 3.22Å; L88-M251 HydrophobicContact CB-CG 4.3Å; L88-M251 HydrophobicContact CB-SD 3.94Å; L88-W255 HydrophobicContact CD1-CE3 3.94Å; L88-W255 HydrophobicContact CD1-CZ3 4.08Å; L88-I258 HydrophobicContact CD1-CD1 3.47Å; L88-I258 VanDerWaalsContact CD1-CD1 3.47Å; L88-I277 HydrophobicContact CD1-CD1 4.04Å; L88-I277 HydrophobicContact CD2-CD1 3.61Å; L88-I277 HydrophobicContact CG-CD1 4.42Å; L88-I299 HydrophobicContact CD2-CD1 4.43Å; L88-I299 HydrophobicContact CD2-CG2 3.88Å; L88-Y301 HydrophobicContact CD1-CD2 3.86Å; L88-Y301 HydrophobicContact CD1-CG 4.2Å; L88-Y301 HydrophobicContact CG-CD2 4.27Å
89	E	98.1	Very high	95.8	Very high	72 Å²	72	65.7 Å²	65.7	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-35.7	173.7	-71.4	178.7	177	0	0	111.3	R85 E86 D92 R93	R85-E89 HydrophobicContact CG-CG 4.37Å; R85-E89 IonicContact CZ-OE1 2.82Å; R85-E89 IonicContact NE-OE1 3.24Å; R85-E89 PolarHBondContact NE-OE1 2.8Å; R85-E89 IonicContact NH2-OE1 3.97Å; R85-E89 PolarHBondContact NH2-OE1 2.9Å; R85-E89 WeakPolarHBondContact O-CG 3.44Å; R85-E89 PolarHBondContact O-N 3.47Å; E86-E89 PolarHBondContact O-N 2.76Å; E89-D92 PolarHBondContact O-N 2.63Å; E89-R93 WeakPolarHBondContact O-CB 3.39Å; E89-R93 PolarHBondContact O-N 3.44Å
90	D	97.8	Very high	96	Very high	64 Å²	64	67.8 Å²	67.8	34%	0.342	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-39.9	172.5	-80.1	0.1	0	0	0	112.1	E86 L88 R93 R94	E86-D90 WeakPolarHBondContact O-CB 3.27Å; E86-D90 PolarHBondContact O-N 2.96Å; L88-D90 VanDerWaalsContact C-N 3.3Å; D90-R93 PolarHBondContact O-N 3.25Å; D90-R93 IonicContact OD1-CZ 3.79Å; D90-R93 IonicContact OD1-NH1 3.3Å; D90-R93 PolarHBondContact OD1-NH1 2.75Å; D90-R93 IonicContact OD1-NH2 3.66Å; D90-R93 PolarHBondContact OD1-NH2 3.42Å; D90-R94 WeakPolarHBondContact O-CG 3.34Å; D90-R94 PolarHBondContact O-N 2.88Å; D90-R94 PolarHBondContact O-NH1 2.97Å
91	F	97.9	Very high	96.1	Very high	3 Å²	3	70.4 Å²	70.4	1%	0.013	35%	0.346	C	S	.	.	H	α-helix	trans	-61	-49.1	171.2	170.9	-101.5	0	0	0	111.5	E87 L88 R93 R94 V95 Y104 M251 I277 R296 I299	E87-F91 PolarHBondContact O-N 3.49Å; L88-F91 WeakPolarHBondContact O-CB 3.4Å; L88-F91 PolarHBondContact O-N 3.39Å; F91-R93 VanDerWaalsContact C-N 3.3Å; F91-R93 PolarHBondContact O-N 2.79Å; F91-R94 PolarHBondContact O-N 3.27Å; F91-V95 HydrophobicContact CD2-CG2 4.32Å; F91-V95 HydrophobicContact CE1-CG2 4.26Å; F91-V95 HydrophobicContact CE2-CG2 3.9Å; F91-V95 HydrophobicContact CZ-CG2 3.86Å; F91-V95 PolarHBondContact O-N 3.48Å; F91-Y104 HydrophobicContact CD1-CE1 4.49Å; F91-Y104 HydrophobicContact CE1-CD1 4.1Å; F91-Y104 AromaticContact CE1-CE1 3.68Å; F91-Y104 HydrophobicContact CE1-CE1 3.68Å; F91-Y104 HydrophobicContact CZ-CE1 4.32Å; F91-M251 HydrophobicContact CD1-CE 4.2Å; F91-I277 HydrophobicContact CE1-CG2 4.23Å; F91-R296 WeakPolarHBondContact CE2-O 3.27Å; F91-I299 HydrophobicContact CB-CD1 3.82Å; F91-I299 HydrophobicContact CB-CG2 4.4Å; F91-I299 HydrophobicContact CD1-CB 4.41Å; F91-I299 HydrophobicContact CD1-CG2 3.6Å; F91-I299 HydrophobicContact CD2-CB 3.94Å; F91-I299 HydrophobicContact CD2-CD1 4.16Å; F91-I299 HydrophobicContact CD2-CG2 4.04Å; F91-I299 HydrophobicContact CE1-CG2 3.76Å; F91-I299 HydrophobicContact CE2-CB 4.06Å; F91-I299 HydrophobicContact CE2-CG2 4.18Å; F91-I299 HydrophobicContact CG-CB 4.12Å; F91-I299 HydrophobicContact CG-CD1 4.07Å; F91-I299 HydrophobicContact CG-CG2 3.75Å; F91-I299 HydrophobicContact CZ-CB 4.36Å; F91-I299 HydrophobicContact CZ-CG2 4.05Å
92	D	98.4	Very high	96.4	Very high	26 Å²	26	67.2 Å²	67.2	14%	0.139	33%	0.329	C	S	.	.	H	α-helix	trans	-56.8	-45.2	177.2	-172.1	44.1	0	0	0	111.3	L88 E89 R94 V95 K96 Y104 M251	L88-D92 PolarHBondContact O-N 3.22Å; E89-D92 PolarHBondContact O-N 2.63Å; D92-R94 PolarHBondContact O-N 2.84Å; D92-V95 PolarHBondContact O-N 3.27Å; D92-K96 VanDerWaalsContact CG-NZ 3.32Å; D92-K96 VanDerWaalsContact O-CB 3.32Å; D92-K96 WeakPolarHBondContact O-CB 3.47Å; D92-K96 PolarHBondContact O-N 2.97Å; D92-K96 VanDerWaalsContact OD1-CD 3.31Å; D92-K96 WeakPolarHBondContact OD1-CD 3.41Å; D92-K96 WeakPolarHBondContact OD1-CE 3.36Å; D92-K96 IonicContact OD1-NZ 3.89Å; D92-K96 PolarHBondContact OD1-NZ 3.39Å; D92-K96 IonicContact OD2-NZ 3.33Å; D92-K96 PolarHBondContact OD2-NZ 2.77Å; D92-Y104 WeakPolarHBondContact CA-OH 3.35Å; D92-Y104 WeakPolarHBondContact OD1-CE2 3.17Å; D92-Y104 VanDerWaalsContact OD1-CZ 3.22Å; D92-Y104 PolarHBondContact OD1-OH 2.91Å; D92-M251 HydrophobicContact CB-CB 4.32Å; D92-M251 HydrophobicContact CB-CE 3.79Å; D92-M251 HydrophobicContact CB-CG 4.41Å
93	R	97.9	Very high	96.6	Very high	148 Å²	148	69 Å²	69	56%	0.558	34%	0.342	S	S	*	.	H	α-helix	trans	-62.1	-41.8	179.3	-164.3	-174.2	-46.7	109.5	11.2	112.2	E89 D90 F91 A97	E89-R93 WeakPolarHBondContact O-CB 3.39Å; E89-R93 PolarHBondContact O-N 3.44Å; D90-R93 PolarHBondContact O-N 3.25Å; D90-R93 IonicContact OD1-CZ 3.79Å; D90-R93 IonicContact OD1-NH1 3.3Å; D90-R93 PolarHBondContact OD1-NH1 2.75Å; D90-R93 IonicContact OD1-NH2 3.66Å; D90-R93 PolarHBondContact OD1-NH2 3.42Å; F91-R93 VanDerWaalsContact C-N 3.3Å; F91-R93 PolarHBondContact O-N 2.79Å; R93-A97 WeakPolarHBondContact O-CB 3.26Å; R93-A97 PolarHBondContact O-N 2.94Å
94	R	97.2	Very high	97	Very high	119 Å²	119	63.5 Å²	63.5	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-46.9	177.6	-73.5	-170.9	-55.1	-91.1	5.5	111.4	D90 F91 D92 A97	D90-R94 WeakPolarHBondContact O-CG 3.34Å; D90-R94 PolarHBondContact O-N 2.88Å; D90-R94 PolarHBondContact O-NH1 2.97Å; F91-R94 PolarHBondContact O-N 3.27Å; D92-R94 PolarHBondContact O-N 2.84Å; R94-A97 PolarHBondContact O-N 3.36Å
95	V	97.9	Very high	97.4	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-48.4	178.2	170.3	0	0	0	0	110.7	F91 D92 A97 E98 F99 A102 Y104 V279 L288	F91-V95 HydrophobicContact CD2-CG2 4.32Å; F91-V95 HydrophobicContact CE1-CG2 4.26Å; F91-V95 HydrophobicContact CE2-CG2 3.9Å; F91-V95 HydrophobicContact CZ-CG2 3.86Å; F91-V95 PolarHBondContact O-N 3.48Å; D92-V95 PolarHBondContact O-N 3.27Å; V95-A97 VanDerWaalsContact C-N 3.29Å; V95-A97 PolarHBondContact O-N 2.98Å; V95-E98 PolarHBondContact O-N 3.16Å; V95-E98 VanDerWaalsContact O-N 3.14Å; V95-F99 PolarHBondContact O-N 3.07Å; V95-A102 HydrophobicContact CG1-CB 3.66Å; V95-Y104 HydrophobicContact CB-CE1 4.45Å; V95-Y104 HydrophobicContact CG1-CE1 4.09Å; V95-Y104 WeakPolarHBondContact CG1-OH 3.41Å; V95-Y104 HydrophobicContact CG2-CE1 4.46Å; V95-V279 HydrophobicContact CG1-CG2 3.66Å; V95-V279 HydrophobicContact CG2-CG2 4.05Å; V95-L288 HydrophobicContact CG1-CD1 4.27Å; V95-L288 HydrophobicContact CG2-CD1 4.35Å
96	K	97.7	Very high	97.6	Very high	56 Å²	56	57.2 Å²	57.2	24%	0.243	29%	0.289	C	S	.	.	H	α-helix	trans	-73.3	-16.4	-177.1	-74	-178.6	178.2	152.5	0	114.6	D92 E98 F99 P100 A102 S249	D92-K96 VanDerWaalsContact CG-NZ 3.32Å; D92-K96 VanDerWaalsContact O-CB 3.32Å; D92-K96 WeakPolarHBondContact O-CB 3.47Å; D92-K96 PolarHBondContact O-N 2.97Å; D92-K96 VanDerWaalsContact OD1-CD 3.31Å; D92-K96 WeakPolarHBondContact OD1-CD 3.41Å; D92-K96 WeakPolarHBondContact OD1-CE 3.36Å; D92-K96 IonicContact OD1-NZ 3.89Å; D92-K96 PolarHBondContact OD1-NZ 3.39Å; D92-K96 IonicContact OD2-NZ 3.33Å; D92-K96 PolarHBondContact OD2-NZ 2.77Å; K96-E98 PolarHBondContact O-N 3.15Å; K96-F99 WeakPolarHBondContact CA-O 3.31Å; K96-F99 CarbonylContact O-C 3.52Å; K96-P100 WeakPolarHBondContact O-CA 3.42Å; K96-A102 HydrophobicContact CG-CB 4.45Å; K96-S249 PolarHBondContact NZ-O 3.14Å
97	A	97	Very high	97.6	Very high	84 Å²	84	52.2 Å²	52.2	69%	0.694	27%	0.265	S	S	*	.	H	α-helix	trans	-62.9	-34.5	168.9	0	0	0	0	0	111.6	R93 R94 V95	R93-A97 WeakPolarHBondContact O-CB 3.26Å; R93-A97 PolarHBondContact O-N 2.94Å; R94-A97 PolarHBondContact O-N 3.36Å; V95-A97 VanDerWaalsContact C-N 3.29Å; V95-A97 PolarHBondContact O-N 2.98Å
98	E	95.9	Very high	97.7	Very high	103 Å²	103	48.7 Å²	48.7	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-91.8	-40.1	175.6	-64	-177.2	-157.3	0	0	111.5	V95 K96 L288	V95-E98 PolarHBondContact O-N 3.16Å; V95-E98 VanDerWaalsContact O-N 3.14Å; K96-E98 PolarHBondContact O-N 3.15Å; E98-L288 HydrophobicContact CB-CD2 4.5Å; E98-L288 WeakPolarHBondContact OE2-CD2 3.48Å
99	F	97.3	Very high	97.7	Very high	49 Å²	49	50.7 Å²	50.7	22%	0.215	26%	0.258	C	S	.	.			trans	-128.3	84.2	-177.1	-61.1	-76.4	0	0	0	111.9	V95 K96 N101 A102 M284 E287 L288	V95-F99 PolarHBondContact O-N 3.07Å; K96-F99 WeakPolarHBondContact CA-O 3.31Å; K96-F99 CarbonylContact O-C 3.52Å; F99-N101 PolarHBondContact O-N 3.16Å; F99-A102 HydrophobicContact CB-CB 4.03Å; F99-A102 VanDerWaalsContact O-CB 3.23Å; F99-A102 WeakPolarHBondContact O-CB 3.45Å; F99-A102 PolarHBondContact O-N 2.95Å; F99-M284 HydrophobicContact CB-CE 4.39Å; F99-M284 HydrophobicContact CB-SD 4.02Å; F99-M284 HydrophobicContact CD1-CE 4.16Å; F99-M284 HydrophobicContact CD1-CG 3.79Å; F99-M284 HydrophobicContact CD1-SD 4.18Å; F99-M284 HydrophobicContact CD2-CB 4.32Å; F99-M284 HydrophobicContact CD2-CG 4.33Å; F99-M284 HydrophobicContact CE1-CG 4.01Å; F99-M284 HydrophobicContact CE2-CB 4.38Å; F99-M284 HydrophobicContact CG-CB 4.43Å; F99-M284 HydrophobicContact CG-CE 4.5Å; F99-M284 HydrophobicContact CG-CG 3.95Å; F99-M284 HydrophobicContact CG-SD 4.06Å; F99-M284 HydrophobicContact CZ-CG 4.39Å; F99-E287 HydrophobicContact CE2-CB 4.19Å; F99-E287 HydrophobicContact CZ-CB 3.67Å; F99-E287 HydrophobicContact CZ-CG 4.23Å; F99-L288 HydrophobicContact CD2-CD1 4.4Å; F99-L288 HydrophobicContact CD2-CD2 4.24Å; F99-L288 HydrophobicContact CD2-CG 4.15Å; F99-L288 HydrophobicContact CE2-CD2 4.14Å; F99-L288 HydrophobicContact CE2-CG 3.88Å
100	P	96.7	Very high	97.6	Very high	95 Å²	95	47.8 Å²	47.8	62%	0.617	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.1	-175.4	-28.9	35.6	0	0	0	115.2	K96	K96-P100 WeakPolarHBondContact O-CA 3.42Å
101	N	95.9	Very high	97.3	Very high	150 Å²	150	45.6 Å²	45.6	80%	0.802	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	13.9	179.8	-61.1	-31.1	0	0	0	113.2	F99 S103	F99-N101 PolarHBondContact O-N 3.16Å; N101-S103 PolarHBondContact O-N 3.22Å
102	A	97.7	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.			trans	-57.4	137.7	179.2	0	0	0	0	0	111.4	V95 K96 F99 M284	V95-A102 HydrophobicContact CG1-CB 3.66Å; K96-A102 HydrophobicContact CG-CB 4.45Å; F99-A102 HydrophobicContact CB-CB 4.03Å; F99-A102 VanDerWaalsContact O-CB 3.23Å; F99-A102 WeakPolarHBondContact O-CB 3.45Å; F99-A102 PolarHBondContact O-N 2.95Å; A102-M284 HydrophobicContact CB-SD 4.28Å
103	S	98.4	Very high	96.9	Very high	37 Å²	37	45.6 Å²	45.6	26%	0.259	23%	0.233	S	C	.	.			trans	-116.2	161.9	167.4	60.1	0	0	0	0	109.4	N101 N280	N101-S103 PolarHBondContact O-N 3.22Å; S103-N280 PolarHBondContact O-N 2.94Å
104	Y	98.8	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.8	-176.9	-52.3	-80.9	0	0	0	110.9	F91 D92 V95 T247 T248 M251 I254 I277 K278 V279	F91-Y104 HydrophobicContact CD1-CE1 4.49Å; F91-Y104 HydrophobicContact CE1-CD1 4.1Å; F91-Y104 AromaticContact CE1-CE1 3.68Å; F91-Y104 HydrophobicContact CE1-CE1 3.68Å; F91-Y104 HydrophobicContact CZ-CE1 4.32Å; D92-Y104 WeakPolarHBondContact CA-OH 3.35Å; D92-Y104 WeakPolarHBondContact OD1-CE2 3.17Å; D92-Y104 VanDerWaalsContact OD1-CZ 3.22Å; D92-Y104 PolarHBondContact OD1-OH 2.91Å; V95-Y104 HydrophobicContact CB-CE1 4.45Å; V95-Y104 HydrophobicContact CG1-CE1 4.09Å; V95-Y104 WeakPolarHBondContact CG1-OH 3.41Å; V95-Y104 HydrophobicContact CG2-CE1 4.46Å; Y104-T247 CarbonylContact O-C 3.58Å; Y104-T247 VanDerWaalsContact O-CA 3.25Å; Y104-T247 WeakPolarHBondContact O-CA 3.24Å; Y104-T248 PolarHBondContact N-O 2.8Å; Y104-T248 PolarHBondContact O-N 2.56Å; Y104-M251 HydrophobicContact CD2-CE 4.49Å; Y104-M251 HydrophobicContact CE2-CE 4.24Å; Y104-I254 HydrophobicContact CD2-CD1 3.81Å; Y104-I254 HydrophobicContact CG-CD1 4Å; Y104-I277 HydrophobicContact CD1-CG2 4Å; Y104-I277 HydrophobicContact CG-CG2 4.06Å; Y104-K278 CarbonylContact C-O 3.57Å; Y104-K278 WeakPolarHBondContact CA-O 3.5Å; Y104-K278 WeakPolarHBondContact CB-O 3.32Å; Y104-V279 HydrophobicContact CD1-CG2 4.1Å; Y104-V279 HydrophobicContact CE1-CG2 3.81Å
105	M	98.5	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.1	161.5	-171.4	-79.9	-76.2	0	0	107.8	E107 Q227 L231 R245 I246 K278 N280	M105-E107 HydrophobicContact CE-CB 4.29Å; M105-E107 HydrophobicContact CE-CG 4.11Å; M105-E107 WeakPolarHBondContact CE-OE1 3.44Å; M105-E107 HydrophobicContact SD-CB 3.72Å; M105-E107 HydrophobicContact SD-CG 4.07Å; M105-Q227 HydrophobicContact CB-CG 4.41Å; M105-Q227 HydrophobicContact CE-CG 3.39Å; M105-L231 HydrophobicContact CE-CD1 3.48Å; M105-L231 VanDerWaalsContact CE-CD1 3.48Å; M105-L231 HydrophobicContact CE-CG 4.25Å; M105-L231 HydrophobicContact SD-CD1 4.21Å; M105-R245 HydrophobicContact SD-CB 4.08Å; M105-I246 WeakPolarHBondContact CA-O 3.27Å; M105-K278 HydrophobicContact CE-CD 4.38Å; M105-K278 PolarHBondContact N-O 2.9Å; M105-K278 PolarHBondContact O-N 3.07Å; M105-N280 HydrophobicContact CB-CB 4.47Å
106	A	98.7	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.5	176.4	0	0	0	0	0	109.8	R245 I246 I254 F257 I275 V276 I277	A106-R245 CarbonylContact O-C 3.53Å; A106-R245 WeakPolarHBondContact O-CA 3.21Å; A106-R245 VanDerWaalsContact O-CB 3.31Å; A106-R245 WeakPolarHBondContact O-CB 3.47Å; A106-I246 HydrophobicContact CB-CG1 4Å; A106-I246 PolarHBondContact N-O 3.21Å; A106-I246 PolarHBondContact O-N 3.31Å; A106-I254 HydrophobicContact CB-CG1 4.46Å; A106-I254 HydrophobicContact CB-CG2 4.23Å; A106-F257 HydrophobicContact CB-CD1 4.02Å; A106-F257 HydrophobicContact CB-CE1 4.11Å; A106-I275 HydrophobicContact CB-CG2 3.97Å; A106-V276 VanDerWaalsContact CA-O 3.31Å; A106-V276 WeakPolarHBondContact CA-O 3.35Å; A106-I277 HydrophobicContact CB-CG1 4.3Å
107	E	98.3	Very high	96.8	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	161.8	-177.9	63.8	-173.2	144.7	0	0	111.6	M105 K109 R245 I275 V276 K278	M105-E107 HydrophobicContact CE-CB 4.29Å; M105-E107 HydrophobicContact CE-CG 4.11Å; M105-E107 WeakPolarHBondContact CE-OE1 3.44Å; M105-E107 HydrophobicContact SD-CB 3.72Å; M105-E107 HydrophobicContact SD-CG 4.07Å; E107-K109 PolarHBondContact O-N 3.31Å; E107-R245 HydrophobicContact CB-CB 4.12Å; E107-I275 CarbonylContact O-C 3.42Å; E107-I275 WeakPolarHBondContact O-CA 3.47Å; E107-I275 WeakPolarHBondContact O-CG2 3.28Å; E107-V276 HydrophobicContact CG-CB 4.05Å; E107-V276 PolarHBondContact N-O 3.16Å; E107-V276 PolarHBondContact O-N 2.8Å; E107-K278 VanDerWaalsContact OE1-CE 3.25Å; E107-K278 WeakPolarHBondContact OE1-CE 3.36Å; E107-K278 IonicContact OE1-NZ 3.18Å; E107-K278 PolarHBondContact OE1-NZ 3.18Å
108	L	98.3	Very high	96.8	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	132.6	177.5	-58.2	-171.2	0	0	0	111.6	I110 R244 F257 V261 L268 Y270 I272 I275	L108-I110 HydrophobicContact CB-CD1 3.99Å; L108-I110 PolarHBondContact O-N 2.92Å; L108-R244 HydrophobicContact CD1-CB 3.89Å; L108-R244 HydrophobicContact CD1-CG 4.09Å; L108-R244 HydrophobicContact CD2-CG 4.13Å; L108-R244 HydrophobicContact CG-CB 4.08Å; L108-R244 HydrophobicContact CG-CG 4.16Å; L108-F257 HydrophobicContact CD2-CZ 4.42Å; L108-V261 HydrophobicContact CD2-CB 4.2Å; L108-V261 HydrophobicContact CD2-CG1 3.37Å; L108-V261 HydrophobicContact CD2-CG2 3.72Å; L108-L268 HydrophobicContact CD1-CD1 4.02Å; L108-Y270 HydrophobicContact CD1-CE2 4.07Å; L108-I272 HydrophobicContact CB-CG2 4.06Å; L108-I272 HydrophobicContact CD1-CG2 4.26Å; L108-I272 HydrophobicContact CD2-CD1 4.01Å; L108-I275 HydrophobicContact CD2-CD1 3.62Å
109	K	97.1	Very high	96.7	Very high	42 Å²	42	23.8 Å²	23.8	18%	0.183	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	96.6	171.7	-164.5	178.7	167.6	-55.3	0	109.4	E107 I272 D273 G274 V276 A300 K302	E107-K109 PolarHBondContact O-N 3.31Å; K109-I272 CarbonylContact O-C 3.57Å; K109-I272 WeakPolarHBondContact O-CA 3.2Å; K109-I272 VanDerWaalsContact O-CB 3.3Å; K109-I272 WeakPolarHBondContact O-CB 3.41Å; K109-D273 WeakPolarHBondContact CB-OD1 3.08Å; K109-D273 WeakPolarHBondContact CD-OD1 3.35Å; K109-D273 WeakPolarHBondContact CE-OD1 3.11Å; K109-D273 WeakPolarHBondContact CG-OD1 3.4Å; K109-D273 IonicContact NZ-OD1 2.79Å; K109-D273 PolarHBondContact NZ-OD1 2.82Å; K109-D273 IonicContact NZ-OD2 2.63Å; K109-D273 PolarHBondContact NZ-OD2 3.24Å; K109-D273 PolarHBondContact O-N 3.5Å; K109-G274 VanDerWaalsContact CB-C 3.41Å; K109-G274 VanDerWaalsContact CB-O 3.26Å; K109-G274 WeakPolarHBondContact CB-O 3.47Å; K109-G274 PolarHBondContact N-O 2.93Å; K109-V276 HydrophobicContact CB-CG2 3.74Å; K109-V276 HydrophobicContact CD-CG2 4.05Å; K109-V276 HydrophobicContact CG-CG2 3.62Å; K109-A300 HydrophobicContact CD-CB 3.9Å; K109-K302 HydrophobicContact CD-CD 4.37Å
110	I	96.6	Very high	96.6	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.9	-177.9	-48.1	-55	0	0	0	110.2	L108 E164 Y166 F214 Y270 I272	L108-I110 HydrophobicContact CB-CD1 3.99Å; L108-I110 PolarHBondContact O-N 2.92Å; I110-E164 HydrophobicContact CB-CB 3.86Å; I110-E164 HydrophobicContact CB-CG 4Å; I110-E164 HydrophobicContact CG2-CB 3.97Å; I110-E164 HydrophobicContact CG2-CG 3.95Å; I110-Y166 HydrophobicContact CG2-CD1 3.84Å; I110-Y166 HydrophobicContact CG2-CG 3.95Å; I110-F214 HydrophobicContact CD1-CD2 3.72Å; I110-F214 HydrophobicContact CD1-CE2 4.24Å; I110-F214 HydrophobicContact CG1-CB 4.25Å; I110-F214 HydrophobicContact CG1-CD2 3.9Å; I110-F214 HydrophobicContact CG1-CG 4.5Å; I110-Y270 HydrophobicContact CD1-CD2 4.16Å; I110-Y270 HydrophobicContact CD1-CE2 3.88Å; I110-I272 HydrophobicContact CD1-CG2 4.05Å
111	D	92	Very high	96.5	Very high	18 Å²	18	24.7 Å²	24.7	10%	0.096	14%	0.138	C	C	.	.			trans	-95.1	102.4	176.1	-170.2	26.9	0	0	0	110.8	R191 D271 D273	D111-R191 WeakPolarHBondContact OD1-CD 3.29Å; D111-R191 WeakPolarHBondContact OD1-CG 3.38Å; D111-R191 IonicContact OD1-CZ 2.81Å; D111-R191 IonicContact OD1-NE 3.41Å; D111-R191 IonicContact OD1-NH1 3.61Å; D111-R191 PolarHBondContact OD1-NH1 3.46Å; D111-D271 HydrophobicContact CB-CB 4.1Å; D111-D271 PolarHBondContact N-O 3.36Å; D111-D273 HydrophobicContact CB-CB 4.42Å
112	G	93.8	Very high	96.4	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	-159.9	-141.6	-178.3	0	0	0	0	0	113.4	E164 A165 R191	G112-E164 WeakPolarHBondContact CA-OE1 3.24Å; G112-E164 PolarHBondContact N-OE1 3.02Å; G112-E164 VanDerWaalsContact O-OE1 3.04Å; G112-A165 CarbonylContact C-O 3.55Å; G112-A165 WeakPolarHBondContact CA-O 3.46Å; G112-R191 WeakPolarHBondContact O-CG 3.17Å; G112-R191 PolarHBondContact O-NE 2.81Å
113	L	94.1	Very high	96.3	Very high	28 Å²	28	19.8 Å²	19.8	15%	0.147	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.6	169.5	-171.1	74.3	0	0	0	110.2	I115 T129 E164 A165 A195 L198	L113-I115 PolarHBondContact O-N 2.92Å; L113-T129 HydrophobicContact CD2-CG2 3.75Å; L113-E164 VanDerWaalsContact C-CD 3.45Å; L113-E164 WeakPolarHBondContact CA-OE1 3.5Å; L113-E164 PolarHBondContact N-OE1 2.94Å; L113-A165 PolarHBondContact N-O 3.07Å; L113-A165 PolarHBondContact O-N 2.96Å; L113-A195 HydrophobicContact CD1-CB 4.21Å; L113-L198 HydrophobicContact CB-CD1 4.23Å; L113-L198 HydrophobicContact CD2-CB 4.23Å; L113-L198 HydrophobicContact CD2-CD1 3.64Å; L113-L198 HydrophobicContact CG-CD1 4.47Å
114	S	95.6	Very high	96.2	Very high	29 Å²	29	18.5 Å²	18.5	20%	0.203	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	130	174.5	-48.1	0	0	0	0	111.8	R130 G163 E164	S114-R130 PolarHBondContact O-N 2.77Å; S114-R130 VanDerWaalsContact O-N 3.16Å; S114-G163 WeakPolarHBondContact CA-O 3.37Å; S114-E164 WeakPolarHBondContact CA-OE2 3.36Å; S114-E164 WeakPolarHBondContact CB-OE2 3.36Å; S114-E164 PolarHBondContact N-OE1 3.36Å; S114-E164 VanDerWaalsContact N-OE1 3.13Å; S114-E164 PolarHBondContact N-OE2 3.36Å; S114-E164 PolarHBondContact OG-OE2 3.31Å
115	I	97.3	Very high	96	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.7	-178.2	56.1	162.8	0	0	0	111.4	L113 L117 A128 I139 I149 R162 G163 A165 L198 T213	L113-I115 PolarHBondContact O-N 2.92Å; I115-L117 HydrophobicContact CD1-CD1 4.48Å; I115-L117 HydrophobicContact CD1-CD2 4.13Å; I115-L117 HydrophobicContact CD1-CG 4.35Å; I115-A128 CarbonylContact C-O 3.54Å; I115-A128 WeakPolarHBondContact CA-O 3.42Å; I115-I139 HydrophobicContact CG2-CD1 4.04Å; I115-I149 HydrophobicContact CD1-CD1 4.35Å; I115-R162 WeakPolarHBondContact O-CA 3.49Å; I115-G163 PolarHBondContact N-O 3.5Å; I115-G163 PolarHBondContact O-N 3.39Å; I115-G163 VanDerWaalsContact O-N 3.11Å; I115-A165 HydrophobicContact CD1-CB 4.08Å; I115-A165 HydrophobicContact CG1-CB 4.34Å; I115-A165 HydrophobicContact CG2-CB 4.04Å; I115-L198 HydrophobicContact CG2-CD1 4.08Å; I115-T213 HydrophobicContact CD1-CG2 3.71Å
116	S	97.2	Very high	95.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.6	171.9	-168.6	0	0	0	0	108.9	G127 A128 T160 V161	S116-G127 CarbonylContact O-C 3.16Å; S116-G127 WeakPolarHBondContact O-CA 3.22Å; S116-A128 PolarHBondContact N-O 2.94Å; S116-A128 PolarHBondContact O-N 3.02Å; S116-T160 WeakPolarHBondContact OG-CG2 3.46Å; S116-V161 WeakPolarHBondContact CA-O 3.39Å
117	L	97.6	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.4	-178.6	-51.7	-177.6	0	0	0	109.4	I115 Y119 L124 V126 V143 I149 T160 V161 L215	I115-L117 HydrophobicContact CD1-CD1 4.48Å; I115-L117 HydrophobicContact CD1-CD2 4.13Å; I115-L117 HydrophobicContact CD1-CG 4.35Å; L117-Y119 HydrophobicContact CB-CD2 4.41Å; L117-Y119 HydrophobicContact CB-CE2 3.75Å; L117-Y119 HydrophobicContact CD1-CE2 4.38Å; L117-L124 HydrophobicContact CB-CD1 4.09Å; L117-L124 HydrophobicContact CD2-CD1 4.4Å; L117-V126 CarbonylContact C-O 3.46Å; L117-V126 WeakPolarHBondContact CA-O 3.27Å; L117-V143 HydrophobicContact CD2-CG1 3.43Å; L117-V143 VanDerWaalsContact CD2-CG1 3.43Å; L117-V143 HydrophobicContact CD2-CG2 4.44Å; L117-I149 HydrophobicContact CD1-CD1 3.95Å; L117-I149 HydrophobicContact CD1-CG1 4.36Å; L117-I149 HydrophobicContact CD1-CG2 3.94Å; L117-I149 HydrophobicContact CD2-CD1 4.48Å; L117-T160 CarbonylContact O-C 3.59Å; L117-T160 VanDerWaalsContact O-CA 3.27Å; L117-T160 WeakPolarHBondContact O-CA 3.34Å; L117-V161 HydrophobicContact CB-CG2 3.82Å; L117-V161 HydrophobicContact CD1-CG2 4.24Å; L117-V161 HydrophobicContact CG-CG2 4.36Å; L117-V161 PolarHBondContact N-O 2.93Å; L117-V161 PolarHBondContact O-N 2.94Å; L117-L215 HydrophobicContact CD1-CD1 4.11Å
118	V	96.2	Very high	95.8	Very high	21 Å²	21	24 Å²	24	13%	0.127	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.7	178.9	-174.4	0	0	0	0	108.9	V120 Q125 V126 T160	V118-V120 HydrophobicContact CG1-CG2 4.47Å; V118-Q125 PolarHBondContact O-N 2.89Å; V118-V126 HydrophobicContact CB-CB 4.05Å; V118-V126 HydrophobicContact CG2-CB 4.14Å; V118-V126 PolarHBondContact N-O 3.44Å; V118-V126 PolarHBondContact O-N 3.5Å; V118-T160 HydrophobicContact CG2-CG2 4.15Å
119	Y	95.7	Very high	95.6	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.8	174.2	-69.5	-99	0	0	0	109.4	L117 V123 L124 I149 P150 L153 N158 I159 V161 F239	L117-Y119 HydrophobicContact CB-CD2 4.41Å; L117-Y119 HydrophobicContact CB-CE2 3.75Å; L117-Y119 HydrophobicContact CD1-CE2 4.38Å; Y119-V123 VanDerWaalsContact CA-O 3.31Å; Y119-V123 WeakPolarHBondContact CA-O 3.3Å; Y119-L124 HydrophobicContact CD1-CB 4.13Å; Y119-L124 HydrophobicContact CD2-CD1 4.47Å; Y119-L124 HydrophobicContact CE1-CB 3.66Å; Y119-L124 HydrophobicContact CE1-CD1 4.3Å; Y119-L124 HydrophobicContact CE2-CD1 3.95Å; Y119-I149 WeakPolarHBondContact OH-CG2 3.3Å; Y119-P150 VanDerWaalsContact CE1-O 3.24Å; Y119-P150 WeakPolarHBondContact CE1-O 3.23Å; Y119-P150 PolarHBondContact OH-O 3.08Å; Y119-L153 HydrophobicContact CD1-CD1 3.87Å; Y119-L153 HydrophobicContact CD1-CD2 4.34Å; Y119-L153 HydrophobicContact CD1-CG 3.77Å; Y119-L153 HydrophobicContact CE1-CD1 4.38Å; Y119-L153 HydrophobicContact CE1-CD2 4.04Å; Y119-L153 HydrophobicContact CE1-CG 3.96Å; Y119-L153 HydrophobicContact CG-CD1 3.97Å; Y119-L153 HydrophobicContact CG-CG 4.37Å; Y119-N158 WeakPolarHBondContact O-CA 3.06Å; Y119-I159 HydrophobicContact CD2-CG1 4.45Å; Y119-I159 PolarHBondContact N-O 3.18Å; Y119-I159 PolarHBondContact O-N 3.37Å; Y119-I159 VanDerWaalsContact O-N 3.15Å; Y119-V161 HydrophobicContact CE2-CG2 4.25Å; Y119-F239 HydrophobicContact CD2-CZ 4.22Å; Y119-F239 AromaticContact CE2-CE1 3.79Å; Y119-F239 HydrophobicContact CE2-CE1 3.79Å; Y119-F239 AromaticContact CE2-CZ 3.61Å; Y119-F239 HydrophobicContact CE2-CZ 3.61Å; Y119-F239 AromaticContact CZ-CE1 3.78Å; Y119-F239 AromaticContact CZ-CZ 3.84Å; Y119-F239 WeakPolarHBondContact OH-CE1 3.21Å
120	V	94.9	Very high	95.4	Very high	61 Å²	61	24.8 Å²	24.8	37%	0.37	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.4	172.2	-180	0	0	0	0	108.3	V118 G122 V123 Q125 N158	V118-V120 HydrophobicContact CG1-CG2 4.47Å; V120-G122 PolarHBondContact O-N 3.49Å; V120-G122 VanDerWaalsContact O-N 3.17Å; V120-V123 PolarHBondContact N-O 3.37Å; V120-V123 PolarHBondContact O-N 2.9Å; V120-Q125 HydrophobicContact CB-CG 3.6Å; V120-Q125 HydrophobicContact CG2-CB 4.33Å; V120-Q125 HydrophobicContact CG2-CG 3.59Å; V120-N158 WeakPolarHBondContact CA-OD1 3.38Å; V120-N158 WeakPolarHBondContact CG1-OD1 3.36Å
121	D	94.7	Very high	95	Very high	102 Å²	102	26.3 Å²	26.3	55%	0.545	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	39.5	-172	-62.1	-36.5	0	0	0	112.6	V123 P156 L157 N158	D121-V123 VanDerWaalsContact C-N 3.26Å; D121-V123 PolarHBondContact O-N 3.5Å; D121-P156 VanDerWaalsContact C-CA 3.49Å; D121-L157 PolarHBondContact N-O 2.75Å; D121-N158 PolarHBondContact N-OD1 3.16Å
122	G	93.7	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	2.3	-179	0	0	0	0	0	114.6	V120 K152 L153 Q155 L157	V120-G122 PolarHBondContact O-N 3.49Å; V120-G122 VanDerWaalsContact O-N 3.17Å; G122-K152 CarbonylContact O-C 3.52Å; G122-K152 WeakPolarHBondContact O-CA 3.46Å; G122-L153 PolarHBondContact O-N 3.27Å; G122-Q155 WeakPolarHBondContact CA-O 3.4Å; G122-L157 PolarHBondContact N-O 2.7Å
123	V	95.1	Very high	94.3	Very high	47 Å²	47	30.9 Å²	30.9	29%	0.285	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.6	-179.8	-179.5	0	0	0	0	110.6	Y119 V120 D121 Q125 K152	Y119-V123 VanDerWaalsContact CA-O 3.31Å; Y119-V123 WeakPolarHBondContact CA-O 3.3Å; V120-V123 PolarHBondContact N-O 3.37Å; V120-V123 PolarHBondContact O-N 2.9Å; D121-V123 VanDerWaalsContact C-N 3.26Å; D121-V123 PolarHBondContact O-N 3.5Å; V123-Q125 PolarHBondContact O-N 2.82Å; V123-Q125 VanDerWaalsContact O-N 3.11Å; V123-K152 HydrophobicContact CG2-CG 4.33Å
124	L	95.7	Very high	94	Very high	9 Å²	9	32 Å²	32	5%	0.047	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	111.9	176.1	178.6	63.7	0	0	0	110.4	L117 Y119 V126 V143 K144 I149 H151	L117-L124 HydrophobicContact CB-CD1 4.09Å; L117-L124 HydrophobicContact CD2-CD1 4.4Å; Y119-L124 HydrophobicContact CD1-CB 4.13Å; Y119-L124 HydrophobicContact CD2-CD1 4.47Å; Y119-L124 HydrophobicContact CE1-CB 3.66Å; Y119-L124 HydrophobicContact CE1-CD1 4.3Å; Y119-L124 HydrophobicContact CE2-CD1 3.95Å; L124-V126 WeakPolarHBondContact CD1-O 3.25Å; L124-V143 HydrophobicContact CD2-CG1 4.13Å; L124-K144 HydrophobicContact CD2-CG 4.08Å; L124-I149 HydrophobicContact CD2-CG2 4.17Å; L124-H151 PolarHBondContact N-O 3.12Å
125	Q	95.1	Very high	93.6	Very high	102 Å²	102	32.4 Å²	32.4	48%	0.477	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-42.8	177.5	-67.6	-57.8	-42.1	0	0	112.1	V118 V120 V123	V118-Q125 PolarHBondContact O-N 2.89Å; V120-Q125 HydrophobicContact CB-CG 3.6Å; V120-Q125 HydrophobicContact CG2-CB 4.33Å; V120-Q125 HydrophobicContact CG2-CG 3.59Å; V123-Q125 PolarHBondContact O-N 2.82Å; V123-Q125 VanDerWaalsContact O-N 3.11Å
126	V	96.4	Very high	93.4	Very high	23 Å²	23	32.5 Å²	32.5	14%	0.139	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.6	-176.2	-177.8	0	0	0	0	110.9	Y70 L117 V118 L124 A128 T140	Y70-V126 HydrophobicContact CD2-CG1 3.82Å; Y70-V126 HydrophobicContact CE1-CG1 4.31Å; Y70-V126 HydrophobicContact CE2-CB 4.26Å; Y70-V126 HydrophobicContact CE2-CG1 3.61Å; Y70-V126 HydrophobicContact CE2-CG2 4.02Å; Y70-V126 HydrophobicContact CG-CG1 4.27Å; L117-V126 CarbonylContact C-O 3.46Å; L117-V126 WeakPolarHBondContact CA-O 3.27Å; V118-V126 HydrophobicContact CB-CB 4.05Å; V118-V126 HydrophobicContact CG2-CB 4.14Å; V118-V126 PolarHBondContact N-O 3.44Å; V118-V126 PolarHBondContact O-N 3.5Å; L124-V126 WeakPolarHBondContact CD1-O 3.25Å; V126-A128 HydrophobicContact CG1-CB 4.17Å; V126-T140 WeakPolarHBondContact CA-OG1 3.36Å
127	G	97.1	Very high	93.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126	157.4	0	0	0	0	0	109.3	S116 I139 T140	S116-G127 CarbonylContact O-C 3.16Å; S116-G127 WeakPolarHBondContact O-CA 3.22Å; G127-I139 CarbonylContact O-C 3.59Å; G127-I139 WeakPolarHBondContact O-CG1 3.22Å; G127-I139 PolarHBondContact O-N 3.2Å; G127-T140 PolarHBondContact N-OG1 2.72Å; G127-T140 PolarHBondContact O-N 3.11Å; G127-T140 VanDerWaalsContact O-N 3.16Å; G127-T140 PolarHBondContact O-OG1 2.91Å
128	A	97.1	Very high	93.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.4	-176.7	0	0	0	0	0	112.9	Y70 I115 S116 V126 E137	Y70-A128 HydrophobicContact CD1-CB 3.37Å; Y70-A128 HydrophobicContact CE1-CB 3.99Å; Y70-A128 HydrophobicContact CG-CB 3.79Å; I115-A128 CarbonylContact C-O 3.54Å; I115-A128 WeakPolarHBondContact CA-O 3.42Å; S116-A128 PolarHBondContact N-O 2.94Å; S116-A128 PolarHBondContact O-N 3.02Å; V126-A128 HydrophobicContact CG1-CB 4.17Å; A128-E137 CarbonylContact C-O 3.59Å; A128-E137 WeakPolarHBondContact CA-O 3.26Å
129	T	95.5	Very high	93	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	162.2	171.1	68.3	0	0	0	0	111.2	H72 L113 G136 E137 I139	H72-T129 PolarHBondContact CE1-O 3.36Å; H72-T129 VanDerWaalsContact CE1-O 3.31Å; H72-T129 PolarHBondContact NE2-O 3.3Å; L113-T129 HydrophobicContact CD2-CG2 3.75Å; T129-G136 VanDerWaalsContact O-CA 3.3Å; T129-G136 WeakPolarHBondContact O-CA 3.48Å; T129-E137 HydrophobicContact CG2-CB 4.33Å; T129-E137 PolarHBondContact N-O 3.37Å; T129-E137 PolarHBondContact OG1-N 3.14Å; T129-I139 HydrophobicContact CG2-CD1 3.6Å; T129-I139 HydrophobicContact CG2-CG1 4.02Å; T129-I139 HydrophobicContact CG2-CG2 3.9Å
130	R	92.4	Very high	93	Very high	64 Å²	64	36.9 Å²	36.9	24%	0.242	21%	0.209	C	C	.	.			trans	-63	-43	173.9	178.6	177.7	-179.6	-79.8	-5.6	114.3	L76 S78 S114 D132 G133	L76-R130 HydrophobicContact CB-CG 3.92Å; L76-R130 HydrophobicContact CD2-CB 4.02Å; L76-R130 HydrophobicContact CD2-CG 4Å; L76-R130 PolarHBondContact O-NE 3.26Å; L76-R130 VanDerWaalsContact O-NE 3.16Å; L76-R130 PolarHBondContact O-NH2 2.76Å; S78-R130 PolarHBondContact OG-NH2 3.12Å; S114-R130 PolarHBondContact O-N 2.77Å; S114-R130 VanDerWaalsContact O-N 3.16Å; R130-D132 PolarHBondContact O-N 3.1Å; R130-G133 PolarHBondContact O-N 3.48Å
131	G	88.4	Confident	92.9	Very high	42 Å²	42	36.7 Å²	36.7	43%	0.433	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-126.9	-170.7	0	0	0	0	0	112.8	G133 V135	G131-G133 PolarHBondContact O-N 3.41Å; G131-V135 WeakPolarHBondContact CA-O 3.39Å
132	D	84.9	Confident	92.8	Very high	113 Å²	113	31.8 Å²	31.8	60%	0.604	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-1	177.7	67.7	18.8	0	0	0	113.9	R130 S134 V135	R130-D132 PolarHBondContact O-N 3.1Å; D132-S134 WeakPolarHBondContact OD1-CA 3.39Å; D132-S134 PolarHBondContact OD1-N 3.36Å; D132-V135 PolarHBondContact N-O 3.32Å; D132-V135 VanDerWaalsContact N-O 3.15Å; D132-V135 PolarHBondContact OD1-N 2.95Å
133	G	84.8	Confident	92.9	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	98.6	-19.4	-176.6	0	0	0	0	0	113.7	P75 L76 R130 G131	P75-G133 CarbonylContact C-O 3.55Å; P75-G133 VanDerWaalsContact CA-O 3.31Å; P75-G133 WeakPolarHBondContact CA-O 3.29Å; L76-G133 PolarHBondContact N-O 2.94Å; R130-G133 PolarHBondContact O-N 3.48Å; G131-G133 PolarHBondContact O-N 3.41Å
134	S	87.8	Confident	92.7	Very high	51 Å²	51	32.2 Å²	32.2	36%	0.357	18%	0.176	S	C	.	.	S	Bend	trans	-111	-37.8	172.9	-56.6	0	0	0	0	111.5	Q71 H72 D132	Q71-S134 PolarHBondContact NE2-O 3.43Å; H72-S134 PolarHBondContact CD2-O 3.09Å; H72-S134 PolarHBondContact N-O 3.23Å; D132-S134 WeakPolarHBondContact OD1-CA 3.39Å; D132-S134 PolarHBondContact OD1-N 3.36Å
135	V	88.6	Confident	92.5	Very high	38 Å²	38	32.7 Å²	32.7	23%	0.23	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.9	178.1	-175.7	0	0	0	0	109.7	K69 Y70 Q71 G131 D132	K69-V135 HydrophobicContact CB-CG1 3.87Å; K69-V135 HydrophobicContact CD-CG1 4.09Å; K69-V135 HydrophobicContact CG-CG1 4.13Å; Y70-V135 CarbonylContact O-C 3.59Å; Y70-V135 WeakPolarHBondContact O-CA 3.27Å; Q71-V135 VanDerWaalsContact OE1-CG2 3.29Å; G131-V135 WeakPolarHBondContact CA-O 3.39Å; D132-V135 PolarHBondContact N-O 3.32Å; D132-V135 VanDerWaalsContact N-O 3.15Å; D132-V135 PolarHBondContact OD1-N 2.95Å
136	G	92	Very high	92.4	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-163.6	172.2	0	0	0	0	0	112.9	K69 Y70 T129	K69-G136 CarbonylContact C-O 3.54Å; K69-G136 WeakPolarHBondContact CA-O 3.47Å; Y70-G136 PolarHBondContact N-O 3.03Å; Y70-G136 PolarHBondContact O-N 3.35Å; T129-G136 VanDerWaalsContact O-CA 3.3Å; T129-G136 WeakPolarHBondContact O-CA 3.48Å
137	E	92.6	Very high	92	Very high	57 Å²	57	29.7 Å²	29.7	27%	0.266	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.2	171.2	-66.2	163.2	131.8	0	0	109.2	F67 E68 A128 T129 I139 R199	F67-E137 HydrophobicContact CB-CB 4.24Å; E68-E137 CarbonylContact O-C 3.58Å; E68-E137 WeakPolarHBondContact O-CA 3.47Å; A128-E137 CarbonylContact C-O 3.59Å; A128-E137 WeakPolarHBondContact CA-O 3.26Å; T129-E137 HydrophobicContact CG2-CB 4.33Å; T129-E137 PolarHBondContact N-O 3.37Å; T129-E137 PolarHBondContact OG1-N 3.14Å; E137-I139 HydrophobicContact CB-CG2 4.37Å; E137-I139 PolarHBondContact O-N 3.31Å; E137-R199 IonicContact OE1-NE 3.63Å; E137-R199 IonicContact OE2-CZ 3.44Å; E137-R199 IonicContact OE2-NE 3.66Å; E137-R199 PolarHBondContact OE2-NE 3.48Å; E137-R199 IonicContact OE2-NH2 3Å; E137-R199 PolarHBondContact OE2-NH2 2.93Å
138	N	96.2	Very high	91.8	Very high	48 Å²	48	30.1 Å²	30.1	26%	0.257	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-72.7	113.1	170.5	-174.8	-26.3	0	0	0	109.1	F67 E68 T140	F67-N138 WeakPolarHBondContact CD1-O 3.35Å; E68-N138 PolarHBondContact O-N 3.46Å; N138-T140 WeakPolarHBondContact OD1-CB 3.24Å; N138-T140 PolarHBondContact OD1-N 3.3Å; N138-T140 VanDerWaalsContact OD1-N 3.07Å; N138-T140 PolarHBondContact OD1-OG1 2.68Å
139	I	95.3	Very high	91.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.163	C	C	.	.			trans	-120.2	24.9	-178.8	54.4	161.4	0	0	0	111.5	F67 I115 G127 T129 E137 E141 N142 V143 L198	F67-I139 HydrophobicContact CD1-CG2 3.83Å; F67-I139 HydrophobicContact CE1-CG2 3.96Å; I115-I139 HydrophobicContact CG2-CD1 4.04Å; G127-I139 CarbonylContact O-C 3.59Å; G127-I139 WeakPolarHBondContact O-CG1 3.22Å; G127-I139 PolarHBondContact O-N 3.2Å; T129-I139 HydrophobicContact CG2-CD1 3.6Å; T129-I139 HydrophobicContact CG2-CG1 4.02Å; T129-I139 HydrophobicContact CG2-CG2 3.9Å; E137-I139 HydrophobicContact CB-CG2 4.37Å; E137-I139 PolarHBondContact O-N 3.31Å; I139-E141 VanDerWaalsContact C-N 3.3Å; I139-E141 PolarHBondContact O-N 3.17Å; I139-N142 PolarHBondContact O-N 3.37Å; I139-V143 HydrophobicContact CB-CG2 4.49Å; I139-V143 HydrophobicContact CD1-CG2 3.63Å; I139-V143 HydrophobicContact CG1-CG2 3.75Å; I139-V143 WeakPolarHBondContact O-CG2 3.29Å; I139-V143 PolarHBondContact O-N 3.29Å; I139-L198 HydrophobicContact CD1-CB 4.15Å; I139-L198 HydrophobicContact CD1-CD1 4.05Å; I139-L198 HydrophobicContact CD1-CD2 4.22Å; I139-L198 HydrophobicContact CD1-CG 4.37Å
140	T	94.7	Very high	91.5	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-52.2	-45.6	-172.3	-56.5	0	0	0	0	112.9	V126 G127 N138 N142 V143 K144	V126-T140 WeakPolarHBondContact CA-OG1 3.36Å; G127-T140 PolarHBondContact N-OG1 2.72Å; G127-T140 PolarHBondContact O-N 3.11Å; G127-T140 VanDerWaalsContact O-N 3.16Å; G127-T140 PolarHBondContact O-OG1 2.91Å; N138-T140 WeakPolarHBondContact OD1-CB 3.24Å; N138-T140 PolarHBondContact OD1-N 3.3Å; N138-T140 VanDerWaalsContact OD1-N 3.07Å; N138-T140 PolarHBondContact OD1-OG1 2.68Å; T140-N142 VanDerWaalsContact C-N 3.26Å; T140-N142 PolarHBondContact O-N 2.95Å; T140-V143 PolarHBondContact O-N 3.23Å; T140-K144 HydrophobicContact CG2-CD 4.49Å; T140-K144 WeakPolarHBondContact O-CG 3.43Å; T140-K144 PolarHBondContact O-N 3.3Å
141	E	92.5	Very high	91.5	Very high	56 Å²	56	29.3 Å²	29.3	26%	0.262	16%	0.164	S	C	.	.	H	α-helix	trans	-66.4	-27.6	-178.6	-67.4	-54.1	121.8	0	0	113.7	L62 L64 I139 K144 R145 T203	L62-E141 HydrophobicContact CD2-CB 4.39Å; L62-E141 HydrophobicContact CD2-CG 3.95Å; L64-E141 HydrophobicContact CD1-CB 4.34Å; L64-E141 HydrophobicContact CD2-CB 4.04Å; L64-E141 HydrophobicContact CD2-CG 4.09Å; I139-E141 VanDerWaalsContact C-N 3.3Å; I139-E141 PolarHBondContact O-N 3.17Å; E141-K144 IonicContact OE1-NZ 3.07Å; E141-K144 PolarHBondContact OE1-NZ 2.83Å; E141-R145 WeakPolarHBondContact O-CG 3.46Å; E141-R145 PolarHBondContact O-NE 3.21Å; E141-T203 HydrophobicContact CB-CG2 4.22Å
142	N	93.8	Very high	91.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-82.5	-39.9	175.2	-73.4	-14.2	0	0	0	111.3	I139 T140 K144 R145 L198 Q200 T203 V206	I139-N142 PolarHBondContact O-N 3.37Å; T140-N142 VanDerWaalsContact C-N 3.26Å; T140-N142 PolarHBondContact O-N 2.95Å; N142-K144 VanDerWaalsContact C-N 3.28Å; N142-K144 PolarHBondContact O-N 2.96Å; N142-R145 WeakPolarHBondContact O-CB 3.49Å; N142-R145 PolarHBondContact O-N 3.5Å; N142-L198 HydrophobicContact CB-CD2 4.41Å; N142-L198 PolarHBondContact ND2-O 3.23Å; N142-Q200 PolarHBondContact ND2-O 2.88Å; N142-Q200 PolarHBondContact OD1-O 2.85Å; N142-T203 WeakPolarHBondContact OD1-CG2 3.4Å; N142-V206 HydrophobicContact CB-CG1 4.19Å; N142-V206 HydrophobicContact CB-CG2 4.14Å; N142-V206 WeakPolarHBondContact O-CG1 3.19Å; N142-V206 WeakPolarHBondContact OD1-CG2 3.09Å
143	V	94.2	Very high	92	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-38.8	174.7	167.8	0	0	0	0	111.3	L117 L124 I139 T140 R145 I146 I149	L117-V143 HydrophobicContact CD2-CG1 3.43Å; L117-V143 VanDerWaalsContact CD2-CG1 3.43Å; L117-V143 HydrophobicContact CD2-CG2 4.44Å; L124-V143 HydrophobicContact CD2-CG1 4.13Å; I139-V143 HydrophobicContact CB-CG2 4.49Å; I139-V143 HydrophobicContact CD1-CG2 3.63Å; I139-V143 HydrophobicContact CG1-CG2 3.75Å; I139-V143 WeakPolarHBondContact O-CG2 3.29Å; I139-V143 PolarHBondContact O-N 3.29Å; T140-V143 PolarHBondContact O-N 3.23Å; V143-R145 PolarHBondContact O-N 3.34Å; V143-I146 WeakPolarHBondContact O-CB 3.46Å; V143-I146 WeakPolarHBondContact O-CG1 3.47Å; V143-I146 PolarHBondContact O-N 3.47Å; V143-I149 HydrophobicContact CG1-CD1 3.42Å; V143-I149 VanDerWaalsContact CG1-CD1 3.42Å; V143-I149 HydrophobicContact CG1-CG2 4.35Å
144	K	91.9	Very high	92.1	Very high	56 Å²	56	32.7 Å²	32.7	24%	0.243	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-14.2	173.8	-75.6	173.2	-179.4	168.2	0	114.1	E58 L124 T140 E141 N142 H151	E58-K144 WeakPolarHBondContact CG-O 3.28Å; L124-K144 HydrophobicContact CD2-CG 4.08Å; T140-K144 HydrophobicContact CG2-CD 4.49Å; T140-K144 WeakPolarHBondContact O-CG 3.43Å; T140-K144 PolarHBondContact O-N 3.3Å; E141-K144 IonicContact OE1-NZ 3.07Å; E141-K144 PolarHBondContact OE1-NZ 2.83Å; N142-K144 VanDerWaalsContact C-N 3.28Å; N142-K144 PolarHBondContact O-N 2.96Å; K144-H151 PolarHBondContact O-CE1 3.36Å; K144-H151 PolarHBondContact O-NE2 3.12Å
145	R	90.8	Very high	92.2	Very high	18 Å²	18	34.7 Å²	34.7	7%	0.068	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.1	178.2	-48.6	-57.9	163	153.1	-4.9	113.3	Q57 E58 G60 E141 N142 V143 V206 A207	Q57-R145 PolarHBondContact O-NH1 3.09Å; Q57-R145 PolarHBondContact O-NH2 2.87Å; E58-R145 WeakPolarHBondContact O-CD 3.25Å; E58-R145 PolarHBondContact O-NH1 3.4Å; G60-R145 PolarHBondContact O-NH1 2.78Å; G60-R145 PolarHBondContact O-NH2 3.06Å; E141-R145 WeakPolarHBondContact O-CG 3.46Å; E141-R145 PolarHBondContact O-NE 3.21Å; N142-R145 WeakPolarHBondContact O-CB 3.49Å; N142-R145 PolarHBondContact O-N 3.5Å; V143-R145 PolarHBondContact O-N 3.34Å; R145-V206 HydrophobicContact CB-CB 4.17Å; R145-V206 HydrophobicContact CB-CG1 3.89Å; R145-V206 HydrophobicContact CG-CB 4.31Å; R145-V206 HydrophobicContact CG-CG1 4.39Å; R145-A207 HydrophobicContact CB-CB 4.1Å; R145-A207 HydrophobicContact CG-CB 4.49Å
146	I	93	Very high	92.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.204	C	C	.	.			trans	-84	117.9	175.9	-48.4	-175.1	0	0	0	107.6	V143 D148 I149 A165 L198 L211 T213	V143-I146 WeakPolarHBondContact O-CB 3.46Å; V143-I146 WeakPolarHBondContact O-CG1 3.47Å; V143-I146 PolarHBondContact O-N 3.47Å; I146-D148 WeakPolarHBondContact CG2-OD1 3.4Å; I146-D148 PolarHBondContact O-N 3.25Å; I146-I149 HydrophobicContact CB-CD1 3.87Å; I146-I149 HydrophobicContact CB-CG1 4.04Å; I146-I149 HydrophobicContact CD1-CD1 3.84Å; I146-I149 HydrophobicContact CG1-CD1 4.26Å; I146-I149 HydrophobicContact CG2-CD1 4.27Å; I146-I149 HydrophobicContact CG2-CG1 4.17Å; I146-I149 PolarHBondContact O-N 2.9Å; I146-A165 HydrophobicContact CD1-CB 4.31Å; I146-L198 HydrophobicContact CD1-CD2 3.98Å; I146-L211 HydrophobicContact CD1-CB 4.2Å; I146-L211 HydrophobicContact CD1-CD1 4.32Å; I146-L211 HydrophobicContact CG1-CB 4.1Å; I146-L211 HydrophobicContact CG1-CD1 4.47Å; I146-L211 HydrophobicContact CG2-CB 4.25Å; I146-L211 VanDerWaalsContact CG2-O 3.29Å; I146-L211 WeakPolarHBondContact CG2-O 3.39Å; I146-T213 HydrophobicContact CD1-CG2 4.12Å; I146-T213 HydrophobicContact CG2-CG2 4.11Å
147	K	89.5	Confident	92.5	Very high	62 Å²	62	39.1 Å²	39.1	27%	0.27	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.6	-163.6	-61	-176.7	-180	173.1	0	114.4	R16 Y20 N210	R16-K147 PolarHBondContact NH2-O 3.04Å; Y20-K147 HydrophobicContact CD1-CB 3.98Å; Y20-K147 HydrophobicContact CD1-CD 3.93Å; Y20-K147 HydrophobicContact CD2-CB 3.97Å; Y20-K147 HydrophobicContact CD2-CD 4.43Å; Y20-K147 HydrophobicContact CE1-CB 4.23Å; Y20-K147 HydrophobicContact CE1-CD 3.34Å; Y20-K147 HydrophobicContact CE1-CG 4.46Å; Y20-K147 HydrophobicContact CE2-CB 4.23Å; Y20-K147 HydrophobicContact CE2-CD 3.93Å; Y20-K147 HydrophobicContact CG-CB 3.86Å; Y20-K147 HydrophobicContact CG-CD 4.44Å; Y20-K147 PolarHBondContact OH-NZ 3.4Å; K147-N210 VanDerWaalsContact CE-OD1 3.26Å; K147-N210 WeakPolarHBondContact CE-OD1 3.36Å; K147-N210 PolarHBondContact NZ-OD1 3.45Å
148	D	92.4	Very high	92.5	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.048	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.2	-178.9	72.7	-21.5	0	0	0	113.4	I146 T213 S240	I146-D148 WeakPolarHBondContact CG2-OD1 3.4Å; I146-D148 PolarHBondContact O-N 3.25Å; D148-T213 VanDerWaalsContact CG-OG1 3.3Å; D148-T213 PolarHBondContact OD1-N 2.88Å; D148-T213 PolarHBondContact OD1-OG1 3.45Å; D148-T213 PolarHBondContact OD2-N 3.1Å; D148-T213 PolarHBondContact OD2-OG1 2.82Å; D148-T213 VanDerWaalsContact OD2-OG1 3.12Å; D148-S240 WeakPolarHBondContact CB-OG 3.33Å; D148-S240 VanDerWaalsContact OD2-CB 3.31Å; D148-S240 WeakPolarHBondContact OD2-CB 3.27Å; D148-S240 PolarHBondContact OD2-OG 2.87Å
149	I	94	Very high	92.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-93.5	116.3	171.1	-62.3	-176.7	0	0	0	109.3	I115 L117 Y119 L124 V143 I146 H151 T213	I115-I149 HydrophobicContact CD1-CD1 4.35Å; L117-I149 HydrophobicContact CD1-CD1 3.95Å; L117-I149 HydrophobicContact CD1-CG1 4.36Å; L117-I149 HydrophobicContact CD1-CG2 3.94Å; L117-I149 HydrophobicContact CD2-CD1 4.48Å; Y119-I149 WeakPolarHBondContact OH-CG2 3.3Å; L124-I149 HydrophobicContact CD2-CG2 4.17Å; V143-I149 HydrophobicContact CG1-CD1 3.42Å; V143-I149 VanDerWaalsContact CG1-CD1 3.42Å; V143-I149 HydrophobicContact CG1-CG2 4.35Å; I146-I149 HydrophobicContact CB-CD1 3.87Å; I146-I149 HydrophobicContact CB-CG1 4.04Å; I146-I149 HydrophobicContact CD1-CD1 3.84Å; I146-I149 HydrophobicContact CG1-CD1 4.26Å; I146-I149 HydrophobicContact CG2-CD1 4.27Å; I146-I149 HydrophobicContact CG2-CG1 4.17Å; I146-I149 PolarHBondContact O-N 2.9Å; I149-H151 PolarHBondContact O-N 3.41Å; I149-T213 HydrophobicContact CD1-CG2 3.88Å; I149-T213 HydrophobicContact CG1-CG2 4.08Å
150	P	92.5	Very high	92.4	Very high	27 Å²	27	40.9 Å²	40.9	18%	0.175	22%	0.223	C	C	.	.			trans	-68.9	126.9	175.8	27.7	-33.6	0	0	0	110.6	Y119 K152 L153 F239	Y119-P150 VanDerWaalsContact CE1-O 3.24Å; Y119-P150 WeakPolarHBondContact CE1-O 3.23Å; Y119-P150 PolarHBondContact OH-O 3.08Å; P150-K152 PolarHBondContact O-N 2.86Å; P150-L153 HydrophobicContact CB-CD2 4.09Å; P150-L153 HydrophobicContact CG-CD2 3.52Å; P150-F239 HydrophobicContact CG-CD1 3.98Å; P150-F239 HydrophobicContact CG-CE1 3.72Å; P150-F239 HydrophobicContact CG-CZ 4.33Å
151	H	90.9	Very high	92.5	Very high	20 Å²	20	40.4 Å²	40.4	9%	0.093	22%	0.221	C	C	.	.	S	Bend	trans	-72.6	-25	173.7	-65.4	-172.3	0	0	0	112	E58 L124 K144 I149	E58-H151 IonicContact OE1-CD2 3.86Å; E58-H151 IonicContact OE1-CE1 2.76Å; E58-H151 PolarHBondContact OE1-CE1 3.21Å; E58-H151 IonicContact OE1-NE2 3.25Å; E58-H151 PolarHBondContact OE1-NE2 3.26Å; L124-H151 PolarHBondContact N-O 3.12Å; K144-H151 PolarHBondContact O-CE1 3.36Å; K144-H151 PolarHBondContact O-NE2 3.12Å; I149-H151 PolarHBondContact O-N 3.41Å
152	K	92	Very high	92.7	Very high	114 Å²	114	38.6 Å²	38.6	50%	0.496	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-139.5	128.6	176	-175.3	179.7	178.4	-174	0	110.2	N53 G122 V123 P150	N53-K152 HydrophobicContact CB-CB 3.66Å; N53-K152 HydrophobicContact CB-CD 4.22Å; G122-K152 CarbonylContact O-C 3.52Å; G122-K152 WeakPolarHBondContact O-CA 3.46Å; V123-K152 HydrophobicContact CG2-CG 4.33Å; P150-K152 PolarHBondContact O-N 2.86Å
153	L	92.4	Very high	92.9	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	21%	0.211	C	C	.	.			trans	-79.4	154.3	173.6	-54.3	179.6	0	0	0	110.5	Y119 G122 P150 Q155 L157 I159 F239	Y119-L153 HydrophobicContact CD1-CD1 3.87Å; Y119-L153 HydrophobicContact CD1-CD2 4.34Å; Y119-L153 HydrophobicContact CD1-CG 3.77Å; Y119-L153 HydrophobicContact CE1-CD1 4.38Å; Y119-L153 HydrophobicContact CE1-CD2 4.04Å; Y119-L153 HydrophobicContact CE1-CG 3.96Å; Y119-L153 HydrophobicContact CG-CD1 3.97Å; Y119-L153 HydrophobicContact CG-CG 4.37Å; G122-L153 PolarHBondContact O-N 3.27Å; P150-L153 HydrophobicContact CB-CD2 4.09Å; P150-L153 HydrophobicContact CG-CD2 3.52Å; L153-Q155 PolarHBondContact O-N 2.82Å; L153-L157 HydrophobicContact CD1-CB 4.39Å; L153-L157 HydrophobicContact CD1-CD1 4.4Å; L153-I159 HydrophobicContact CD1-CD1 3.75Å; L153-I159 HydrophobicContact CD1-CG1 4.19Å; L153-F239 HydrophobicContact CD1-CE2 4.43Å; L153-F239 HydrophobicContact CD1-CZ 4.26Å; L153-F239 HydrophobicContact CD2-CE1 4.25Å; L153-F239 HydrophobicContact CD2-CE2 3.98Å; L153-F239 HydrophobicContact CD2-CZ 3.62Å
154	A	88.2	Confident	93	Very high	108 Å²	108	39.2 Å²	39.2	89%	0.893	21%	0.214	S	C	*	.	S	Bend	trans	-62.9	-26.1	176.2	0	0	0	0	0	112.8
155	Q	89.7	Confident	93.3	Very high	93 Å²	93	36.6 Å²	36.6	44%	0.435	20%	0.203	S	C	.	.	S	Bend	trans	-111.5	145.3	179.6	-62.1	-177	49	0	0	110.3	G122 L153 L157	G122-Q155 WeakPolarHBondContact CA-O 3.4Å; L153-Q155 PolarHBondContact O-N 2.82Å; Q155-L157 HydrophobicContact CB-CD1 4.01Å; Q155-L157 HydrophobicContact CB-CD2 4.1Å; Q155-L157 HydrophobicContact CB-CG 3.69Å; Q155-L157 PolarHBondContact O-N 3.45Å
156	P	93.2	Very high	93.6	Very high	99 Å²	99	36.7 Å²	36.7	64%	0.643	20%	0.203	S	C	*	.			trans	-78.8	64.8	179.9	34.3	-36	0	0	0	111.2	D121	D121-P156 VanDerWaalsContact C-CA 3.49Å
157	L	92	Very high	93.7	Very high	34 Å²	34	36.7 Å²	36.7	18%	0.178	20%	0.203	C	C	.	.			trans	-88	142.6	-173.8	-60.4	174	0	0	0	112	D121 G122 L153 Q155 I159 Y237	D121-L157 PolarHBondContact N-O 2.75Å; G122-L157 PolarHBondContact N-O 2.7Å; L153-L157 HydrophobicContact CD1-CB 4.39Å; L153-L157 HydrophobicContact CD1-CD1 4.4Å; Q155-L157 HydrophobicContact CB-CD1 4.01Å; Q155-L157 HydrophobicContact CB-CD2 4.1Å; Q155-L157 HydrophobicContact CB-CG 3.69Å; Q155-L157 PolarHBondContact O-N 3.45Å; L157-I159 HydrophobicContact CB-CD1 4.43Å; L157-I159 HydrophobicContact CB-CG1 4.22Å; L157-I159 HydrophobicContact CB-CG2 4.04Å; L157-I159 HydrophobicContact CD1-CD1 4.31Å; L157-Y237 HydrophobicContact CD1-CD1 3.96Å; L157-Y237 HydrophobicContact CD1-CD2 3.89Å; L157-Y237 HydrophobicContact CD1-CE1 3.63Å; L157-Y237 HydrophobicContact CD1-CE2 3.51Å; L157-Y237 HydrophobicContact CD1-CG 4.11Å
158	N	93.7	Very high	94	Very high	105 Å²	105	35 Å²	35	56%	0.561	20%	0.199	S	C	*	.			trans	-102.9	89.4	168.2	-67.3	-51.5	0	0	0	107.9	Y119 V120 D121	Y119-N158 WeakPolarHBondContact O-CA 3.06Å; V120-N158 WeakPolarHBondContact CA-OD1 3.38Å; V120-N158 WeakPolarHBondContact CG1-OD1 3.36Å; D121-N158 PolarHBondContact N-OD1 3.16Å
159	I	94.7	Very high	94.1	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.077	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.6	-173.3	60.1	171.3	0	0	0	111.3	Y119 L153 L157 V161 Y237 F239	Y119-I159 HydrophobicContact CD2-CG1 4.45Å; Y119-I159 PolarHBondContact N-O 3.18Å; Y119-I159 PolarHBondContact O-N 3.37Å; Y119-I159 VanDerWaalsContact O-N 3.15Å; L153-I159 HydrophobicContact CD1-CD1 3.75Å; L153-I159 HydrophobicContact CD1-CG1 4.19Å; L157-I159 HydrophobicContact CB-CD1 4.43Å; L157-I159 HydrophobicContact CB-CG1 4.22Å; L157-I159 HydrophobicContact CB-CG2 4.04Å; L157-I159 HydrophobicContact CD1-CD1 4.31Å; I159-V161 HydrophobicContact CD1-CG1 3.86Å; I159-V161 HydrophobicContact CG1-CG1 4.35Å; I159-Y237 HydrophobicContact CD1-CD2 3.95Å; I159-Y237 HydrophobicContact CD1-CE2 4.17Å; I159-F239 HydrophobicContact CD1-CE2 4.18Å
160	T	95.6	Very high	94.1	Very high	24 Å²	24	40.4 Å²	40.4	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.1	166.2	-64.8	0	0	0	0	108.9	S116 L117 V118 V219	S116-T160 WeakPolarHBondContact OG-CG2 3.46Å; L117-T160 CarbonylContact O-C 3.59Å; L117-T160 VanDerWaalsContact O-CA 3.27Å; L117-T160 WeakPolarHBondContact O-CA 3.34Å; V118-T160 HydrophobicContact CG2-CG2 4.15Å; T160-V219 HydrophobicContact CG2-CB 4.11Å; T160-V219 HydrophobicContact CG2-CG2 3.93Å; T160-V219 PolarHBondContact O-N 2.99Å
161	V	96.5	Very high	94.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147	178.9	-57.5	0	0	0	0	110.5	S116 L117 Y119 I159 L215 Q217 L234 F239	S116-V161 WeakPolarHBondContact CA-O 3.39Å; L117-V161 HydrophobicContact CB-CG2 3.82Å; L117-V161 HydrophobicContact CD1-CG2 4.24Å; L117-V161 HydrophobicContact CG-CG2 4.36Å; L117-V161 PolarHBondContact N-O 2.93Å; L117-V161 PolarHBondContact O-N 2.94Å; Y119-V161 HydrophobicContact CE2-CG2 4.25Å; I159-V161 HydrophobicContact CD1-CG1 3.86Å; I159-V161 HydrophobicContact CG1-CG1 4.35Å; V161-L215 HydrophobicContact CG2-CD1 4.07Å; V161-L215 HydrophobicContact CG2-CG 4.42Å; V161-Q217 CarbonylContact C-O 3.46Å; V161-Q217 VanDerWaalsContact CA-O 3.27Å; V161-Q217 WeakPolarHBondContact CA-O 3.34Å; V161-L234 HydrophobicContact CB-CD2 4.2Å; V161-L234 HydrophobicContact CG1-CD2 3.46Å; V161-L234 VanDerWaalsContact CG1-CD2 3.46Å; V161-F239 HydrophobicContact CG1-CE2 4.15Å; V161-F239 HydrophobicContact CG1-CZ 4.4Å; V161-F239 HydrophobicContact CG2-CE1 4.03Å; V161-F239 HydrophobicContact CG2-CE2 4.31Å; V161-F239 HydrophobicContact CG2-CZ 3.86Å
162	R	96.3	Very high	94.3	Very high	17 Å²	17	40.4 Å²	40.4	6%	0.064	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.6	179.6	-66.1	173.1	-179.9	174.7	1.2	110.5	T74 P75 I115 Y216 Q217 V219	T74-R162 PolarHBondContact O-NH2 2.85Å; P75-R162 PolarHBondContact O-NH1 3.1Å; P75-R162 PolarHBondContact O-NH2 3.16Å; I115-R162 WeakPolarHBondContact O-CA 3.49Å; R162-Y216 HydrophobicContact CB-CE2 4.38Å; R162-Y216 PolarHBondContact O-N 3.43Å; R162-Q217 HydrophobicContact CB-CB 4.25Å; R162-Q217 PolarHBondContact N-O 3.16Å; R162-Q217 PolarHBondContact O-N 3.29Å; R162-V219 HydrophobicContact CG-CG2 3.77Å
163	G	96.9	Very high	94.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-172.7	-178.4	0	0	0	0	0	112.3	S114 I115 F214 Y216	S114-G163 WeakPolarHBondContact CA-O 3.37Å; I115-G163 PolarHBondContact N-O 3.5Å; I115-G163 PolarHBondContact O-N 3.39Å; I115-G163 VanDerWaalsContact O-N 3.11Å; G163-F214 CarbonylContact C-O 3.59Å; G163-F214 WeakPolarHBondContact CA-O 3.43Å; G163-Y216 PolarHBondContact O-OH 2.9Å
164	E	97.6	Very high	94.3	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.065	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129	172.7	-154.7	73.4	-172.6	0	0	109.2	I110 G112 L113 S114 T213 F214 Y216	I110-E164 HydrophobicContact CB-CB 3.86Å; I110-E164 HydrophobicContact CB-CG 4Å; I110-E164 HydrophobicContact CG2-CB 3.97Å; I110-E164 HydrophobicContact CG2-CG 3.95Å; G112-E164 WeakPolarHBondContact CA-OE1 3.24Å; G112-E164 PolarHBondContact N-OE1 3.02Å; G112-E164 VanDerWaalsContact O-OE1 3.04Å; L113-E164 VanDerWaalsContact C-CD 3.45Å; L113-E164 WeakPolarHBondContact CA-OE1 3.5Å; L113-E164 PolarHBondContact N-OE1 2.94Å; S114-E164 WeakPolarHBondContact CA-OE2 3.36Å; S114-E164 WeakPolarHBondContact CB-OE2 3.36Å; S114-E164 PolarHBondContact N-OE1 3.36Å; S114-E164 VanDerWaalsContact N-OE1 3.13Å; S114-E164 PolarHBondContact N-OE2 3.36Å; S114-E164 PolarHBondContact OG-OE2 3.31Å; E164-T213 VanDerWaalsContact O-CA 3.28Å; E164-T213 WeakPolarHBondContact O-CA 3.29Å; E164-F214 PolarHBondContact N-O 3.27Å; E164-F214 PolarHBondContact O-N 2.94Å; E164-Y216 HydrophobicContact CB-CE1 4.16Å
165	A	98	Very high	94.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.1	163.6	0	0	0	0	0	108.8	G112 L113 I115 I146 L198 A212 T213	G112-A165 CarbonylContact C-O 3.55Å; G112-A165 WeakPolarHBondContact CA-O 3.46Å; L113-A165 PolarHBondContact N-O 3.07Å; L113-A165 PolarHBondContact O-N 2.96Å; I115-A165 HydrophobicContact CD1-CB 4.08Å; I115-A165 HydrophobicContact CG1-CB 4.34Å; I115-A165 HydrophobicContact CG2-CB 4.04Å; I146-A165 HydrophobicContact CD1-CB 4.31Å; A165-L198 HydrophobicContact CB-CD1 3.65Å; A165-A212 WeakPolarHBondContact CA-O 3.23Å; A165-T213 HydrophobicContact CB-CG2 4.09Å
166	Y	97.1	Very high	94.5	Very high	20 Å²	20	36 Å²	36	8%	0.078	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	165.9	-177.2	70.4	-86.3	0	0	0	110.6	I110 P168 L211 A212 F214 Y270	I110-Y166 HydrophobicContact CG2-CD1 3.84Å; I110-Y166 HydrophobicContact CG2-CG 3.95Å; Y166-P168 HydrophobicContact CD2-CG 4.46Å; Y166-P168 HydrophobicContact CE2-CG 3.94Å; Y166-L211 WeakPolarHBondContact O-CD2 3.29Å; Y166-A212 WeakPolarHBondContact CD1-O 3.38Å; Y166-A212 HydrophobicContact CE1-CB 3.89Å; Y166-A212 HydrophobicContact CE2-CB 4.01Å; Y166-A212 PolarHBondContact N-O 2.96Å; Y166-A212 PolarHBondContact O-N 3.06Å; Y166-F214 HydrophobicContact CD1-CD2 4.05Å; Y166-F214 HydrophobicContact CD1-CE2 4.49Å; Y166-F214 AromaticContact CE1-CD2 3.35Å; Y166-F214 HydrophobicContact CE1-CD2 3.35Å; Y166-F214 AromaticContact CE1-CE2 3.52Å; Y166-F214 HydrophobicContact CE1-CE2 3.52Å; Y166-F214 HydrophobicContact CE1-CG 4.12Å; Y166-F214 HydrophobicContact CE1-CZ 4.4Å; Y166-F214 AromaticContact CZ-CD2 3.96Å; Y166-F214 AromaticContact CZ-CE2 3.6Å; Y166-F214 WeakPolarHBondContact OH-CE2 3.33Å; Y166-Y270 VanDerWaalsContact CD2-CB 3.45Å; Y166-Y270 HydrophobicContact CD2-CG 4.27Å; Y166-Y270 AromaticContact CE2-CD1 3.9Å; Y166-Y270 HydrophobicContact CE2-CD1 3.9Å; Y166-Y270 AromaticContact CE2-CG 3.85Å; Y166-Y270 HydrophobicContact CE2-CG 3.85Å
167	L	95.1	Very high	94.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.195	C	C	.	.			trans	-107.9	116.5	174.7	-173.7	67.4	0	0	0	108.6	F172 I175 P190 A193 A194 R209 L211	L167-F172 HydrophobicContact CD2-CB 3.77Å; L167-F172 HydrophobicContact CD2-CD2 3.92Å; L167-F172 HydrophobicContact CD2-CG 4.35Å; L167-F172 HydrophobicContact CG-CB 4.14Å; L167-I175 HydrophobicContact CD1-CD1 3.88Å; L167-I175 HydrophobicContact CD2-CD1 3.88Å; L167-I175 HydrophobicContact CG-CD1 4.46Å; L167-P190 HydrophobicContact CB-CB 4.26Å; L167-A193 HydrophobicContact CD2-CB 3.39Å; L167-A194 HydrophobicContact CB-CB 4.15Å; L167-R209 WeakPolarHBondContact CD1-O 3.22Å; L167-L211 HydrophobicContact CB-CD2 4.07Å; L167-L211 HydrophobicContact CD1-CD2 3.85Å
168	P	96.3	Very high	94.2	Very high	28 Å²	28	39.8 Å²	39.8	18%	0.182	21%	0.209	C	C	.	.			trans	-55.6	145.3	174.3	-25	33.6	0	0	0	111.6	Y166 A170 S171 F172 N210 A212 P269	Y166-P168 HydrophobicContact CD2-CG 4.46Å; Y166-P168 HydrophobicContact CE2-CG 3.94Å; P168-A170 VanDerWaalsContact C-N 3.31Å; P168-A170 PolarHBondContact O-N 3.04Å; P168-S171 WeakPolarHBondContact O-CA 3.33Å; P168-S171 WeakPolarHBondContact O-CB 3.47Å; P168-S171 PolarHBondContact O-N 2.69Å; P168-F172 PolarHBondContact O-N 3.06Å; P168-N210 WeakPolarHBondContact CD-O 3.32Å; P168-A212 HydrophobicContact CG-CB 4.11Å; P168-P269 CarbonylContact C-O 3.51Å; P168-P269 WeakPolarHBondContact CA-O 3.43Å
169	K	93.4	Very high	93.9	Very high	46 Å²	46	37 Å²	37	20%	0.2	19%	0.19	C	C	.	.	H	α-helix	trans	-54.8	-45.1	-178.4	-72.2	-178.5	179.9	162.9	0	112	S171 F172 D173 R265 D266 L268 P269 D271	K169-S171 VanDerWaalsContact C-N 3.32Å; K169-S171 PolarHBondContact O-N 3.02Å; K169-F172 WeakPolarHBondContact O-CB 3.18Å; K169-F172 PolarHBondContact O-N 3.18Å; K169-F172 VanDerWaalsContact O-N 3.1Å; K169-D173 VanDerWaalsContact O-CG 3.3Å; K169-D173 PolarHBondContact O-N 3.3Å; K169-R265 PolarHBondContact NZ-O 3.42Å; K169-D266 PolarHBondContact NZ-O 3.24Å; K169-L268 VanDerWaalsContact CD-O 3.29Å; K169-L268 WeakPolarHBondContact CD-O 3.4Å; K169-L268 VanDerWaalsContact CE-O 3.26Å; K169-L268 WeakPolarHBondContact CE-O 3.48Å; K169-L268 PolarHBondContact NZ-O 3.43Å; K169-P269 PolarHBondContact N-O 3.41Å; K169-D271 WeakPolarHBondContact CE-OD1 3.34Å; K169-D271 IonicContact NZ-OD1 2.65Å
170	A	93.9	Very high	93.4	Very high	76 Å²	76	42.6 Å²	42.6	63%	0.628	21%	0.21	S	C	*	.	H	α-helix	trans	-60.7	-38.8	176.7	0	0	0	0	0	113.1	P168 K174	P168-A170 VanDerWaalsContact C-N 3.31Å; P168-A170 PolarHBondContact O-N 3.04Å; A170-K174 WeakPolarHBondContact O-CB 3.35Å; A170-K174 PolarHBondContact O-N 3.24Å
171	S	94.3	Very high	93.2	Very high	21 Å²	21	47.6 Å²	47.6	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-41.6	174.5	-61.9	0	0	0	0	111	P168 K169 I175 N210	P168-S171 WeakPolarHBondContact O-CA 3.33Å; P168-S171 WeakPolarHBondContact O-CB 3.47Å; P168-S171 PolarHBondContact O-N 2.69Å; K169-S171 VanDerWaalsContact C-N 3.32Å; K169-S171 PolarHBondContact O-N 3.02Å; S171-I175 WeakPolarHBondContact O-CB 3.21Å; S171-I175 VanDerWaalsContact O-CD1 3.26Å; S171-I175 WeakPolarHBondContact O-CD1 3.2Å; S171-I175 WeakPolarHBondContact O-CG1 3.1Å; S171-I175 PolarHBondContact O-N 2.73Å; S171-N210 PolarHBondContact OG-O 3.38Å
172	F	93.5	Very high	92.7	Very high	26 Å²	26	51.6 Å²	51.6	11%	0.114	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-48.2	177.7	175.3	-107.1	0	0	0	112.5	L167 P168 K169 K174 I175 N176 F187 N189 P190 A193	L167-F172 HydrophobicContact CD2-CB 3.77Å; L167-F172 HydrophobicContact CD2-CD2 3.92Å; L167-F172 HydrophobicContact CD2-CG 4.35Å; L167-F172 HydrophobicContact CG-CB 4.14Å; P168-F172 PolarHBondContact O-N 3.06Å; K169-F172 WeakPolarHBondContact O-CB 3.18Å; K169-F172 PolarHBondContact O-N 3.18Å; K169-F172 VanDerWaalsContact O-N 3.1Å; F172-K174 VanDerWaalsContact C-N 3.34Å; F172-K174 PolarHBondContact O-N 3.39Å; F172-I175 PolarHBondContact O-N 3.08Å; F172-N176 WeakPolarHBondContact CE1-ND2 3.47Å; F172-N176 VanDerWaalsContact CE2-ND2 3.34Å; F172-N176 WeakPolarHBondContact CE2-ND2 3.42Å; F172-N176 WeakPolarHBondContact CZ-ND2 3.39Å; F172-N176 PolarHBondContact O-N 3.34Å; F172-F187 HydrophobicContact CE2-CB 3.74Å; F172-F187 VanDerWaalsContact CZ-O 3.27Å; F172-F187 WeakPolarHBondContact CZ-O 3.46Å; F172-N189 WeakPolarHBondContact CE2-O 3.3Å; F172-P190 HydrophobicContact CB-CG 4.16Å; F172-P190 HydrophobicContact CD1-CG 3.9Å; F172-P190 HydrophobicContact CD2-CB 4.34Å; F172-P190 HydrophobicContact CD2-CG 4.03Å; F172-P190 HydrophobicContact CE1-CG 4.23Å; F172-P190 HydrophobicContact CE2-CG 4.34Å; F172-P190 HydrophobicContact CG-CB 4.37Å; F172-P190 HydrophobicContact CG-CG 3.77Å; F172-P190 HydrophobicContact CZ-CG 4.42Å; F172-A193 HydrophobicContact CD2-CB 3.98Å; F172-A193 HydrophobicContact CE2-CB 4.21Å
173	D	91.5	Very high	91.9	Very high	100 Å²	100	54.3 Å²	54.3	54%	0.535	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-47.5	178.9	-66.5	-23.8	0	0	0	111	K169 I175 N176 E177	K169-D173 VanDerWaalsContact O-CG 3.3Å; K169-D173 PolarHBondContact O-N 3.3Å; D173-I175 PolarHBondContact O-N 2.89Å; D173-N176 PolarHBondContact O-N 2.94Å; D173-E177 PolarHBondContact O-N 2.74Å
174	K	93.5	Very high	91	Very high	113 Å²	113	59 Å²	59	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-44.6	176.6	-177	179.5	178.6	-179.7	0	112.4	A170 F172 N176 E177 E178	A170-K174 WeakPolarHBondContact O-CB 3.35Å; A170-K174 PolarHBondContact O-N 3.24Å; F172-K174 VanDerWaalsContact C-N 3.34Å; F172-K174 PolarHBondContact O-N 3.39Å; K174-N176 VanDerWaalsContact C-N 3.31Å; K174-N176 PolarHBondContact O-N 3.34Å; K174-E177 WeakPolarHBondContact O-CB 3.17Å; K174-E177 PolarHBondContact O-N 3.48Å; K174-E178 VanDerWaalsContact CE-OE1 3.25Å; K174-E178 WeakPolarHBondContact CE-OE1 3.15Å; K174-E178 WeakPolarHBondContact O-CG 3.35Å; K174-E178 PolarHBondContact O-N 2.86Å
175	I	91.2	Very high	90.1	Very high	9 Å²	9	64.1 Å²	64.1	5%	0.046	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-41.3	179	-70.2	159.7	0	0	0	110.4	L167 S171 F172 D173 E178 R179 F187 R209	L167-I175 HydrophobicContact CD1-CD1 3.88Å; L167-I175 HydrophobicContact CD2-CD1 3.88Å; L167-I175 HydrophobicContact CG-CD1 4.46Å; S171-I175 WeakPolarHBondContact O-CB 3.21Å; S171-I175 VanDerWaalsContact O-CD1 3.26Å; S171-I175 WeakPolarHBondContact O-CD1 3.2Å; S171-I175 WeakPolarHBondContact O-CG1 3.1Å; S171-I175 PolarHBondContact O-N 2.73Å; F172-I175 PolarHBondContact O-N 3.08Å; D173-I175 PolarHBondContact O-N 2.89Å; I175-E178 PolarHBondContact O-N 2.86Å; I175-R179 HydrophobicContact CG2-CG 4.39Å; I175-R179 WeakPolarHBondContact O-CB 3.35Å; I175-R179 WeakPolarHBondContact O-CG 3.41Å; I175-R179 PolarHBondContact O-N 3.45Å; I175-F187 HydrophobicContact CG2-CD2 3.74Å; I175-F187 HydrophobicContact CG2-CE2 3.68Å; I175-R209 HydrophobicContact CD1-CB 3.64Å; I175-R209 HydrophobicContact CD1-CG 3.54Å; I175-R209 HydrophobicContact CG1-CB 4.48Å; I175-R209 HydrophobicContact CG1-CG 3.98Å
176	N	89.5	Confident	89.4	Confident	9 Å²	9	68 Å²	68	5%	0.048	37%	0.37	C	S	.	.	H	α-helix	trans	-70.4	-34.4	178.8	-83.8	-14.8	0	0	0	112.6	F172 D173 K174 R179 R180 E186 F187	F172-N176 WeakPolarHBondContact CE1-ND2 3.47Å; F172-N176 VanDerWaalsContact CE2-ND2 3.34Å; F172-N176 WeakPolarHBondContact CE2-ND2 3.42Å; F172-N176 WeakPolarHBondContact CZ-ND2 3.39Å; F172-N176 PolarHBondContact O-N 3.34Å; D173-N176 PolarHBondContact O-N 2.94Å; K174-N176 VanDerWaalsContact C-N 3.31Å; K174-N176 PolarHBondContact O-N 3.34Å; N176-R179 PolarHBondContact O-N 3.08Å; N176-R180 VanDerWaalsContact O-CB 3.31Å; N176-R180 WeakPolarHBondContact O-CB 3.46Å; N176-R180 PolarHBondContact O-N 3.07Å; N176-E186 HydrophobicContact CB-CB 4.41Å; N176-E186 HydrophobicContact CB-CG 4.14Å; N176-F187 PolarHBondContact ND2-O 2.79Å; N176-F187 PolarHBondContact OD1-N 3.42Å
177	E	91.1	Very high	88.7	Confident	114 Å²	114	68.8 Å²	68.8	53%	0.533	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-53	168.2	-172.1	176.7	-161.2	0	0	111.2	D173 K174 R179 R180 D181	D173-E177 PolarHBondContact O-N 2.74Å; K174-E177 WeakPolarHBondContact O-CB 3.17Å; K174-E177 PolarHBondContact O-N 3.48Å; E177-R179 VanDerWaalsContact C-N 3.27Å; E177-R179 PolarHBondContact O-N 3.18Å; E177-R180 WeakPolarHBondContact O-CB 3.48Å; E177-R180 PolarHBondContact O-N 3.4Å; E177-R180 VanDerWaalsContact O-N 3.15Å; E177-D181 PolarHBondContact O-N 3.35Å
178	E	88.6	Confident	87.8	Confident	98 Å²	98	70.6 Å²	70.6	46%	0.458	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-38.4	177.6	-71.5	175.8	-173	0	0	112.7	K174 I175 S182	K174-E178 VanDerWaalsContact CE-OE1 3.25Å; K174-E178 WeakPolarHBondContact CE-OE1 3.15Å; K174-E178 WeakPolarHBondContact O-CG 3.35Å; K174-E178 PolarHBondContact O-N 2.86Å; I175-E178 PolarHBondContact O-N 2.86Å; E178-S182 VanDerWaalsContact O-CB 3.31Å; E178-S182 WeakPolarHBondContact O-CB 3.38Å; E178-S182 PolarHBondContact O-N 3.07Å; E178-S182 VanDerWaalsContact O-N 3.09Å; E178-S182 PolarHBondContact O-OG 3.05Å
179	R	87.8	Confident	87.2	Confident	46 Å²	46	70.7 Å²	70.7	17%	0.174	39%	0.388	C	S	.	.	H	α-helix	trans	-67.6	-45.5	177.1	-73.5	178.3	77.2	67.8	2.3	111.6	I175 N176 E177 D181 S182 G183 Q184 T185	I175-R179 HydrophobicContact CG2-CG 4.39Å; I175-R179 WeakPolarHBondContact O-CB 3.35Å; I175-R179 WeakPolarHBondContact O-CG 3.41Å; I175-R179 PolarHBondContact O-N 3.45Å; N176-R179 PolarHBondContact O-N 3.08Å; E177-R179 VanDerWaalsContact C-N 3.27Å; E177-R179 PolarHBondContact O-N 3.18Å; R179-D181 VanDerWaalsContact C-N 3.35Å; R179-S182 CarbonylContact O-C 3.48Å; R179-S182 PolarHBondContact O-N 3.2Å; R179-S182 VanDerWaalsContact O-N 3.16Å; R179-G183 PolarHBondContact O-N 3.34Å; R179-G183 VanDerWaalsContact O-N 3.14Å; R179-Q184 HydrophobicContact CB-CB 4.04Å; R179-Q184 HydrophobicContact CG-CB 4.36Å; R179-Q184 WeakPolarHBondContact O-CB 3.44Å; R179-Q184 PolarHBondContact O-N 2.84Å; R179-T185 PolarHBondContact NE-O 3.37Å; R179-T185 PolarHBondContact NH2-O 3.21Å
180	R	85	Confident	86.9	Confident	133 Å²	133	68.9 Å²	68.9	50%	0.502	38%	0.38	S	S	.	.	H	α-helix	trans	-59.2	-47	177.5	-167.9	-164	-38.8	-68.2	-13.6	111	N176 E177 S182 G183 E186	N176-R180 VanDerWaalsContact O-CB 3.31Å; N176-R180 WeakPolarHBondContact O-CB 3.46Å; N176-R180 PolarHBondContact O-N 3.07Å; E177-R180 WeakPolarHBondContact O-CB 3.48Å; E177-R180 PolarHBondContact O-N 3.4Å; E177-R180 VanDerWaalsContact O-N 3.15Å; R180-S182 PolarHBondContact O-N 3.34Å; R180-G183 PolarHBondContact O-N 3.35Å; R180-E186 VanDerWaalsContact CZ-CD 3.49Å; R180-E186 IonicContact CZ-OE1 3.11Å; R180-E186 IonicContact CZ-OE2 3.49Å; R180-E186 IonicContact NH1-OE1 3.53Å; R180-E186 PolarHBondContact NH1-OE1 3.04Å; R180-E186 IonicContact NH1-OE2 3.1Å; R180-E186 PolarHBondContact NH1-OE2 3.19Å; R180-E186 IonicContact NH2-OE1 3.84Å; R180-E186 IonicContact NH2-OE2 2.98Å; R180-E186 PolarHBondContact NH2-OE2 3.03Å
181	D	89.8	Confident	86.5	Confident	128 Å²	128	68.8 Å²	68.8	68%	0.684	36%	0.364	S	S	*	.	H	α-helix	trans	-64.1	-29.8	178.2	-71.1	-7	0	0	0	112.3	E177 R179 G183	E177-D181 PolarHBondContact O-N 3.35Å; R179-D181 VanDerWaalsContact C-N 3.35Å; D181-G183 VanDerWaalsContact C-N 3.33Å
182	S	85.7	Confident	85.9	Confident	84 Å²	84	71.7 Å²	71.7	59%	0.587	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	4.5	176	-55.9	0	0	0	0	113.9	E178 R179 R180 Q184	E178-S182 VanDerWaalsContact O-CB 3.31Å; E178-S182 WeakPolarHBondContact O-CB 3.38Å; E178-S182 PolarHBondContact O-N 3.07Å; E178-S182 VanDerWaalsContact O-N 3.09Å; E178-S182 PolarHBondContact O-OG 3.05Å; R179-S182 CarbonylContact O-C 3.48Å; R179-S182 PolarHBondContact O-N 3.2Å; R179-S182 VanDerWaalsContact O-N 3.16Å; R180-S182 PolarHBondContact O-N 3.34Å; S182-Q184 PolarHBondContact O-N 2.9Å
183	G	80.1	Confident	85.7	Confident	74 Å²	74	70.5 Å²	70.5	76%	0.763	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	20.5	-176.7	0	0	0	0	0	114.4	R179 R180 D181	R179-G183 PolarHBondContact O-N 3.34Å; R179-G183 VanDerWaalsContact O-N 3.14Å; R180-G183 PolarHBondContact O-N 3.35Å; D181-G183 VanDerWaalsContact C-N 3.33Å
184	Q	78.8	Confident	85.8	Confident	100 Å²	100	65.7 Å²	65.7	47%	0.467	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-92.2	148.2	177.9	-61.4	-174.2	-15.8	0	0	111	R179 S182 E186	R179-Q184 HydrophobicContact CB-CB 4.04Å; R179-Q184 HydrophobicContact CG-CB 4.36Å; R179-Q184 WeakPolarHBondContact O-CB 3.44Å; R179-Q184 PolarHBondContact O-N 2.84Å; S182-Q184 PolarHBondContact O-N 2.9Å; Q184-E186 PolarHBondContact O-N 3.36Å
185	T	78.2	Confident	85.6	Confident	121 Å²	121	61.1 Å²	61.1	74%	0.742	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-62.4	125.7	173.1	-48.9	0	0	0	0	110.5	R179	R179-T185 PolarHBondContact NE-O 3.37Å; R179-T185 PolarHBondContact NH2-O 3.21Å
186	E	82.4	Confident	85.4	Confident	81 Å²	81	61.9 Å²	61.9	38%	0.379	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-59.8	154.2	176.4	-68.1	170.8	-100.6	0	0	112.5	N176 R180 Q184	N176-E186 HydrophobicContact CB-CB 4.41Å; N176-E186 HydrophobicContact CB-CG 4.14Å; R180-E186 VanDerWaalsContact CZ-CD 3.49Å; R180-E186 IonicContact CZ-OE1 3.11Å; R180-E186 IonicContact CZ-OE2 3.49Å; R180-E186 IonicContact NH1-OE1 3.53Å; R180-E186 PolarHBondContact NH1-OE1 3.04Å; R180-E186 IonicContact NH1-OE2 3.1Å; R180-E186 PolarHBondContact NH1-OE2 3.19Å; R180-E186 IonicContact NH2-OE1 3.84Å; R180-E186 IonicContact NH2-OE2 2.98Å; R180-E186 PolarHBondContact NH2-OE2 3.03Å; Q184-E186 PolarHBondContact O-N 3.36Å
187	F	82.7	Confident	85.6	Confident	37 Å²	37	61.4 Å²	61.4	16%	0.162	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-73.3	136.2	165.9	-68	-65.3	0	0	0	109.4	F172 I175 N176 A193	F172-F187 HydrophobicContact CE2-CB 3.74Å; F172-F187 VanDerWaalsContact CZ-O 3.27Å; F172-F187 WeakPolarHBondContact CZ-O 3.46Å; I175-F187 HydrophobicContact CG2-CD2 3.74Å; I175-F187 HydrophobicContact CG2-CE2 3.68Å; N176-F187 PolarHBondContact ND2-O 2.79Å; N176-F187 PolarHBondContact OD1-N 3.42Å; F187-A193 HydrophobicContact CB-CB 3.79Å; F187-A193 HydrophobicContact CD1-CB 4.15Å; F187-A193 HydrophobicContact CD2-CB 3.73Å; F187-A193 HydrophobicContact CE2-CB 4.32Å; F187-A193 HydrophobicContact CG-CB 3.63Å
188	A	77.4	Confident	85.8	Confident	39 Å²	39	56 Å²	56	32%	0.322	31%	0.312	S	S	.	.	S	Bend	trans	-79.6	-24.5	-174.4	0	0	0	0	0	114.9	T339	A188-T339 HydrophobicContact CB-CG2 3.35Å
189	N	82.6	Confident	85.9	Confident	29 Å²	29	55.6 Å²	55.6	16%	0.155	31%	0.307	C	S	.	.	S	Bend	trans	-154.8	161.1	172.9	61.6	47.1	0	0	0	111.1	F172 R191 N192 A193	F172-N189 WeakPolarHBondContact CE2-O 3.3Å; N189-R191 VanDerWaalsContact C-N 3.31Å; N189-R191 PolarHBondContact O-N 2.85Å; N189-R191 WeakPolarHBondContact OD1-CB 3.44Å; N189-R191 PolarHBondContact OD1-N 2.8Å; N189-N192 PolarHBondContact ND2-ND2 2.69Å; N189-N192 PolarHBondContact O-N 3.32Å; N189-N192 VanDerWaalsContact OD1-CB 3.28Å; N189-N192 WeakPolarHBondContact OD1-CB 3.42Å; N189-N192 VanDerWaalsContact OD1-CG 3.23Å; N189-N192 PolarHBondContact OD1-N 2.82Å; N189-N192 PolarHBondContact OD1-ND2 3.44Å; N189-A193 PolarHBondContact O-N 3.12Å; N189-A193 VanDerWaalsContact O-N 3.14Å
190	P	87.7	Confident	86	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-36.8	180	-30.4	39.7	0	0	0	114.2	L167 F172 A193 A194 D271	L167-P190 HydrophobicContact CB-CB 4.26Å; F172-P190 HydrophobicContact CB-CG 4.16Å; F172-P190 HydrophobicContact CD1-CG 3.9Å; F172-P190 HydrophobicContact CD2-CB 4.34Å; F172-P190 HydrophobicContact CD2-CG 4.03Å; F172-P190 HydrophobicContact CE1-CG 4.23Å; F172-P190 HydrophobicContact CE2-CG 4.34Å; F172-P190 HydrophobicContact CG-CB 4.37Å; F172-P190 HydrophobicContact CG-CG 3.77Å; F172-P190 HydrophobicContact CZ-CG 4.42Å; P190-A193 WeakPolarHBondContact O-CB 3.4Å; P190-A193 PolarHBondContact O-N 2.88Å; P190-A194 WeakPolarHBondContact O-CB 3.44Å; P190-A194 PolarHBondContact O-N 2.85Å; P190-D271 VanDerWaalsContact CD-OD2 3.26Å; P190-D271 WeakPolarHBondContact CD-OD2 3.41Å; P190-D271 WeakPolarHBondContact CG-OD2 3.36Å
191	R	85.8	Confident	86.2	Confident	74 Å²	74	53.4 Å²	53.4	28%	0.279	31%	0.306	S	S	.	.	H	α-helix	trans	-59.4	-49.3	178.1	-168.4	-157.1	-173.4	157.8	-13.2	112.7	D111 G112 N189 A193 A194 A195	D111-R191 WeakPolarHBondContact OD1-CD 3.29Å; D111-R191 WeakPolarHBondContact OD1-CG 3.38Å; D111-R191 IonicContact OD1-CZ 2.81Å; D111-R191 IonicContact OD1-NE 3.41Å; D111-R191 IonicContact OD1-NH1 3.61Å; D111-R191 PolarHBondContact OD1-NH1 3.46Å; G112-R191 WeakPolarHBondContact O-CG 3.17Å; G112-R191 PolarHBondContact O-NE 2.81Å; N189-R191 VanDerWaalsContact C-N 3.31Å; N189-R191 PolarHBondContact O-N 2.85Å; N189-R191 WeakPolarHBondContact OD1-CB 3.44Å; N189-R191 PolarHBondContact OD1-N 2.8Å; R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.07Å; R191-A194 PolarHBondContact O-N 3.47Å; R191-A195 WeakPolarHBondContact O-CB 3.47Å; R191-A195 PolarHBondContact O-N 3.48Å
192	N	81.7	Confident	86.1	Confident	83 Å²	83	50.1 Å²	50.1	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-39.5	177.8	-75.2	-20.2	0	0	0	111.1	N189 G196	N189-N192 PolarHBondContact ND2-ND2 2.69Å; N189-N192 PolarHBondContact O-N 3.32Å; N189-N192 VanDerWaalsContact OD1-CB 3.28Å; N189-N192 WeakPolarHBondContact OD1-CB 3.42Å; N189-N192 VanDerWaalsContact OD1-CG 3.23Å; N189-N192 PolarHBondContact OD1-N 2.82Å; N189-N192 PolarHBondContact OD1-ND2 3.44Å; N192-G196 PolarHBondContact O-N 3.12Å
193	A	89	Confident	86.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-42.5	174.1	0	0	0	0	0	111.3	L167 F172 F187 N189 P190 R191 G196 T197	L167-A193 HydrophobicContact CD2-CB 3.39Å; F172-A193 HydrophobicContact CD2-CB 3.98Å; F172-A193 HydrophobicContact CE2-CB 4.21Å; F187-A193 HydrophobicContact CB-CB 3.79Å; F187-A193 HydrophobicContact CD1-CB 4.15Å; F187-A193 HydrophobicContact CD2-CB 3.73Å; F187-A193 HydrophobicContact CE2-CB 4.32Å; F187-A193 HydrophobicContact CG-CB 3.63Å; N189-A193 PolarHBondContact O-N 3.12Å; N189-A193 VanDerWaalsContact O-N 3.14Å; P190-A193 WeakPolarHBondContact O-CB 3.4Å; P190-A193 PolarHBondContact O-N 2.88Å; R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.07Å; A193-G196 PolarHBondContact O-N 3.06Å; A193-T197 WeakPolarHBondContact O-CB 3.23Å; A193-T197 PolarHBondContact O-N 2.88Å; A193-T197 PolarHBondContact O-OG1 3.33Å
194	A	92.9	Very high	86.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-50.4	176.1	0	0	0	0	0	111.6	L167 P190 R191 G196 T197 L198 L211	L167-A194 HydrophobicContact CB-CB 4.15Å; P190-A194 WeakPolarHBondContact O-CB 3.44Å; P190-A194 PolarHBondContact O-N 2.85Å; R191-A194 PolarHBondContact O-N 3.47Å; A194-G196 PolarHBondContact O-N 3Å; A194-T197 WeakPolarHBondContact O-CB 3.43Å; A194-T197 PolarHBondContact O-N 3.41Å; A194-L198 PolarHBondContact O-N 3.49Å; A194-L211 HydrophobicContact CB-CD2 3.84Å
195	A	89	Confident	87.1	Confident	17 Å²	17	42.1 Å²	42.1	14%	0.14	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-42	178.1	0	0	0	0	0	112.7	L113 R191 T197 R199	L113-A195 HydrophobicContact CD1-CB 4.21Å; R191-A195 WeakPolarHBondContact O-CB 3.47Å; R191-A195 PolarHBondContact O-N 3.48Å; A195-T197 VanDerWaalsContact C-N 3.28Å; A195-T197 PolarHBondContact O-N 3.46Å; A195-R199 PolarHBondContact O-N 2.68Å
196	G	88.5	Confident	87.7	Confident	24 Å²	24	36.4 Å²	36.4	25%	0.247	19%	0.193	C	C	.	.	H	α-helix	trans	-70.7	-23.7	175.2	0	0	0	0	0	113.4	N192 A193 A194 Q200	N192-G196 PolarHBondContact O-N 3.12Å; A193-G196 PolarHBondContact O-N 3.06Å; A194-G196 PolarHBondContact O-N 3Å; G196-Q200 WeakPolarHBondContact O-CG 3.49Å; G196-Q200 PolarHBondContact O-NE2 3.11Å
197	T	93.4	Very high	88	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-76.4	-47.8	175.6	-62.1	0	0	0	0	111.3	A193 A194 A195 R199 Q200 V206 R209 L211	A193-T197 WeakPolarHBondContact O-CB 3.23Å; A193-T197 PolarHBondContact O-N 2.88Å; A193-T197 PolarHBondContact O-OG1 3.33Å; A194-T197 WeakPolarHBondContact O-CB 3.43Å; A194-T197 PolarHBondContact O-N 3.41Å; A195-T197 VanDerWaalsContact C-N 3.28Å; A195-T197 PolarHBondContact O-N 3.46Å; T197-R199 PolarHBondContact O-N 3.34Å; T197-R199 VanDerWaalsContact O-N 3.08Å; T197-Q200 WeakPolarHBondContact O-CB 3.19Å; T197-Q200 WeakPolarHBondContact O-CG 3.16Å; T197-Q200 PolarHBondContact O-N 2.97Å; T197-V206 HydrophobicContact CG2-CB 4.28Å; T197-V206 HydrophobicContact CG2-CG1 4Å; T197-V206 HydrophobicContact CG2-CG2 4.34Å; T197-V206 VanDerWaalsContact O-CG2 3.25Å; T197-V206 WeakPolarHBondContact O-CG2 3.41Å; T197-R209 HydrophobicContact CG2-CB 3.8Å; T197-R209 HydrophobicContact CG2-CG 4.32Å; T197-R209 WeakPolarHBondContact OG1-CD 3.47Å; T197-R209 PolarHBondContact OG1-NH1 2.78Å; T197-L211 HydrophobicContact CG2-CD1 3.59Å; T197-L211 HydrophobicContact CG2-CD2 4.3Å; T197-L211 HydrophobicContact CG2-CG 3.88Å
198	L	93.6	Very high	88.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-14	176.9	-71.5	175.3	0	0	0	114.1	L113 I115 I139 N142 I146 A165 A194 L211	L113-L198 HydrophobicContact CB-CD1 4.23Å; L113-L198 HydrophobicContact CD2-CB 4.23Å; L113-L198 HydrophobicContact CD2-CD1 3.64Å; L113-L198 HydrophobicContact CG-CD1 4.47Å; I115-L198 HydrophobicContact CG2-CD1 4.08Å; I139-L198 HydrophobicContact CD1-CB 4.15Å; I139-L198 HydrophobicContact CD1-CD1 4.05Å; I139-L198 HydrophobicContact CD1-CD2 4.22Å; I139-L198 HydrophobicContact CD1-CG 4.37Å; N142-L198 HydrophobicContact CB-CD2 4.41Å; N142-L198 PolarHBondContact ND2-O 3.23Å; I146-L198 HydrophobicContact CD1-CD2 3.98Å; A165-L198 HydrophobicContact CB-CD1 3.65Å; A194-L198 PolarHBondContact O-N 3.49Å; L198-L211 HydrophobicContact CD1-CD1 4.46Å; L198-L211 HydrophobicContact CD2-CD1 3.52Å; L198-L211 HydrophobicContact CG-CD1 3.64Å
199	R	90.7	Very high	89.1	Confident	90 Å²	90	38.7 Å²	38.7	34%	0.34	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	18	174.6	-65.7	-175	177.5	98.2	0.6	113.9	F67 E137 A195 T197	F67-R199 HydrophobicContact CE2-CB 4.05Å; F67-R199 WeakPolarHBondContact CE2-O 3.29Å; F67-R199 VanDerWaalsContact CZ-C 3.47Å; F67-R199 VanDerWaalsContact CZ-CA 3.49Å; F67-R199 HydrophobicContact CZ-CB 4.37Å; E137-R199 IonicContact OE1-NE 3.63Å; E137-R199 IonicContact OE2-CZ 3.44Å; E137-R199 IonicContact OE2-NE 3.66Å; E137-R199 PolarHBondContact OE2-NE 3.48Å; E137-R199 IonicContact OE2-NH2 3Å; E137-R199 PolarHBondContact OE2-NH2 2.93Å; A195-R199 PolarHBondContact O-N 2.68Å; T197-R199 PolarHBondContact O-N 3.34Å; T197-R199 VanDerWaalsContact O-N 3.08Å
200	Q	91.5	Very high	89.5	Confident	58 Å²	58	39.9 Å²	39.9	27%	0.271	20%	0.204	S	C	.	.			trans	-74.3	133.5	170.5	-67.5	-62.8	-50.9	0	0	110.2	N142 G196 T197 N202 V205 V206	N142-Q200 PolarHBondContact ND2-O 2.88Å; N142-Q200 PolarHBondContact OD1-O 2.85Å; G196-Q200 WeakPolarHBondContact O-CG 3.49Å; G196-Q200 PolarHBondContact O-NE2 3.11Å; T197-Q200 WeakPolarHBondContact O-CB 3.19Å; T197-Q200 WeakPolarHBondContact O-CG 3.16Å; T197-Q200 PolarHBondContact O-N 2.97Å; Q200-N202 VanDerWaalsContact C-N 3.31Å; Q200-V205 HydrophobicContact CB-CB 4.35Å; Q200-V205 HydrophobicContact CG-CB 4.15Å; Q200-V205 HydrophobicContact CG-CG1 3.84Å; Q200-V206 HydrophobicContact CB-CG2 3.81Å; Q200-V206 HydrophobicContact CG-CG2 4.42Å
201	L	88.7	Confident	89.9	Confident	74 Å²	74	39.9 Å²	39.9	39%	0.387	20%	0.204	S	C	.	.	S	Bend	trans	-71.2	-30.8	172.3	-62.2	-179.2	0	0	0	111.6	V63 L64 F67	V63-L201 CarbonylContact C-O 3.6Å; V63-L201 WeakPolarHBondContact CA-O 3.39Å; L64-L201 HydrophobicContact CB-CD2 4.17Å; L64-L201 WeakPolarHBondContact CG-O 3.34Å; L64-L201 PolarHBondContact N-O 3.38Å; F67-L201 HydrophobicContact CD2-CD2 4.4Å; F67-L201 HydrophobicContact CE2-CD2 3.82Å; F67-L201 HydrophobicContact CZ-CD2 4.21Å
202	N	88.3	Confident	90.4	Very high	60 Å²	60	37.1 Å²	37.1	32%	0.321	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-92.3	109.1	177	-175.5	-17.1	0	0	0	110.5	Q200 V204 V205	Q200-N202 VanDerWaalsContact C-N 3.31Å; N202-V204 PolarHBondContact O-N 3.02Å; N202-V204 VanDerWaalsContact OD1-CB 3.25Å; N202-V204 WeakPolarHBondContact OD1-CB 3.42Å; N202-V204 WeakPolarHBondContact OD1-CG2 3.42Å; N202-V204 PolarHBondContact OD1-N 3.34Å; N202-V205 HydrophobicContact CB-CG2 4.06Å; N202-V205 WeakPolarHBondContact O-CB 3.43Å; N202-V205 PolarHBondContact O-N 3.33Å
203	T	88.3	Confident	91.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-23.1	-177.4	64.1	0	0	0	0	113.3	G60 L62 E141 N142 V205 V206 A207	G60-T203 PolarHBondContact O-OG1 2.78Å; L62-T203 HydrophobicContact CB-CG2 3.99Å; L62-T203 PolarHBondContact N-OG1 3.08Å; L62-T203 PolarHBondContact O-N 3.2Å; L62-T203 PolarHBondContact O-OG1 3.17Å; E141-T203 HydrophobicContact CB-CG2 4.22Å; N142-T203 WeakPolarHBondContact OD1-CG2 3.4Å; T203-V205 PolarHBondContact O-N 3.04Å; T203-V206 WeakPolarHBondContact O-CB 3.29Å; T203-V206 PolarHBondContact O-N 2.79Å; T203-V206 VanDerWaalsContact O-N 3.12Å; T203-A207 PolarHBondContact O-N 3.38Å
204	V	88.3	Confident	91.7	Very high	50 Å²	50	34.1 Å²	34.1	30%	0.303	18%	0.18	S	C	.	.	H	α-helix	trans	-61.6	-36.8	174.6	-178.4	0	0	0	0	110.8	N202 V206 A207 K208	N202-V204 PolarHBondContact O-N 3.02Å; N202-V204 VanDerWaalsContact OD1-CB 3.25Å; N202-V204 WeakPolarHBondContact OD1-CB 3.42Å; N202-V204 WeakPolarHBondContact OD1-CG2 3.42Å; N202-V204 PolarHBondContact OD1-N 3.34Å; V204-V206 VanDerWaalsContact C-N 3.29Å; V204-V206 PolarHBondContact O-N 3.18Å; V204-A207 PolarHBondContact O-N 3.31Å; V204-K208 HydrophobicContact CG1-CD 4.3Å; V204-K208 HydrophobicContact CG1-CG 4.5Å; V204-K208 WeakPolarHBondContact O-CB 3.31Å; V204-K208 WeakPolarHBondContact O-CG 3.45Å; V204-K208 PolarHBondContact O-N 2.91Å
205	V	88.7	Confident	91.9	Very high	39 Å²	39	34.1 Å²	34.1	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-39	177.7	-178	0	0	0	0	110	Q200 N202 T203 K208 R209	Q200-V205 HydrophobicContact CB-CB 4.35Å; Q200-V205 HydrophobicContact CG-CB 4.15Å; Q200-V205 HydrophobicContact CG-CG1 3.84Å; N202-V205 HydrophobicContact CB-CG2 4.06Å; N202-V205 WeakPolarHBondContact O-CB 3.43Å; N202-V205 PolarHBondContact O-N 3.33Å; T203-V205 PolarHBondContact O-N 3.04Å; V205-K208 PolarHBondContact O-N 3.45Å; V205-R209 VanDerWaalsContact O-CG 3.28Å; V205-R209 WeakPolarHBondContact O-CG 3.28Å; V205-R209 PolarHBondContact O-N 3.48Å
206	V	90.8	Very high	92.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-50.5	177.6	-172.5	0	0	0	0	111.1	N142 R145 T197 Q200 T203 V204 K208 R209 L211	N142-V206 HydrophobicContact CB-CG1 4.19Å; N142-V206 HydrophobicContact CB-CG2 4.14Å; N142-V206 WeakPolarHBondContact O-CG1 3.19Å; N142-V206 WeakPolarHBondContact OD1-CG2 3.09Å; R145-V206 HydrophobicContact CB-CB 4.17Å; R145-V206 HydrophobicContact CB-CG1 3.89Å; R145-V206 HydrophobicContact CG-CB 4.31Å; R145-V206 HydrophobicContact CG-CG1 4.39Å; T197-V206 HydrophobicContact CG2-CB 4.28Å; T197-V206 HydrophobicContact CG2-CG1 4Å; T197-V206 HydrophobicContact CG2-CG2 4.34Å; T197-V206 VanDerWaalsContact O-CG2 3.25Å; T197-V206 WeakPolarHBondContact O-CG2 3.41Å; Q200-V206 HydrophobicContact CB-CG2 3.81Å; Q200-V206 HydrophobicContact CG-CG2 4.42Å; T203-V206 WeakPolarHBondContact O-CB 3.29Å; T203-V206 PolarHBondContact O-N 2.79Å; T203-V206 VanDerWaalsContact O-N 3.12Å; V204-V206 VanDerWaalsContact C-N 3.29Å; V204-V206 PolarHBondContact O-N 3.18Å; V206-K208 VanDerWaalsContact C-N 3.28Å; V206-K208 PolarHBondContact O-N 3.49Å; V206-R209 PolarHBondContact O-N 3Å; V206-R209 VanDerWaalsContact O-N 3.14Å; V206-L211 HydrophobicContact CG1-CD1 4.34Å
207	A	89.4	Confident	92.5	Very high	26 Å²	26	36.9 Å²	36.9	22%	0.215	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-39.7	178.8	0	0	0	0	0	112.3	R145 T203 V204 R209	R145-A207 HydrophobicContact CB-CB 4.1Å; R145-A207 HydrophobicContact CG-CB 4.49Å; T203-A207 PolarHBondContact O-N 3.38Å; V204-A207 PolarHBondContact O-N 3.31Å; A207-R209 VanDerWaalsContact C-N 3.34Å; A207-R209 PolarHBondContact O-N 3.35Å
208	K	89.6	Confident	92.5	Very high	150 Å²	150	38.1 Å²	38.1	65%	0.652	19%	0.187	S	C	*	.	H	α-helix	trans	-67.3	-31.3	178.4	-78.1	-177	176.6	-171	0	113.9	V204 V205 V206 N210	V204-K208 HydrophobicContact CG1-CD 4.3Å; V204-K208 HydrophobicContact CG1-CG 4.5Å; V204-K208 WeakPolarHBondContact O-CB 3.31Å; V204-K208 WeakPolarHBondContact O-CG 3.45Å; V204-K208 PolarHBondContact O-N 2.91Å; V205-K208 PolarHBondContact O-N 3.45Å; V206-K208 VanDerWaalsContact C-N 3.28Å; V206-K208 PolarHBondContact O-N 3.49Å; K208-N210 VanDerWaalsContact C-N 3.29Å; K208-N210 PolarHBondContact O-N 2.9Å; K208-N210 PolarHBondContact O-ND2 3.22Å; K208-N210 VanDerWaalsContact O-ND2 3.12Å
209	R	92.2	Very high	92.2	Very high	29 Å²	29	38.8 Å²	38.8	11%	0.109	19%	0.192	C	C	.	.	H	α-helix	trans	-80.3	-7.5	-174.9	-73.4	-175.5	-175.1	168.1	6.3	113.8	L167 I175 T197 V205 V206 A207 L211	L167-R209 WeakPolarHBondContact CD1-O 3.22Å; I175-R209 HydrophobicContact CD1-CB 3.64Å; I175-R209 HydrophobicContact CD1-CG 3.54Å; I175-R209 HydrophobicContact CG1-CB 4.48Å; I175-R209 HydrophobicContact CG1-CG 3.98Å; T197-R209 HydrophobicContact CG2-CB 3.8Å; T197-R209 HydrophobicContact CG2-CG 4.32Å; T197-R209 WeakPolarHBondContact OG1-CD 3.47Å; T197-R209 PolarHBondContact OG1-NH1 2.78Å; V205-R209 VanDerWaalsContact O-CG 3.28Å; V205-R209 WeakPolarHBondContact O-CG 3.28Å; V205-R209 PolarHBondContact O-N 3.48Å; V206-R209 PolarHBondContact O-N 3Å; V206-R209 VanDerWaalsContact O-N 3.14Å; A207-R209 VanDerWaalsContact C-N 3.34Å; A207-R209 PolarHBondContact O-N 3.35Å; R209-L211 PolarHBondContact O-N 2.84Å
210	N	92.3	Very high	91.2	Very high	53 Å²	53	39.1 Å²	39.1	28%	0.283	21%	0.213	S	C	.	.			trans	48.9	59.8	173.5	-60.8	-64.8	0	0	0	113.1	K147 P168 S171 K208	K147-N210 VanDerWaalsContact CE-OD1 3.26Å; K147-N210 WeakPolarHBondContact CE-OD1 3.36Å; K147-N210 PolarHBondContact NZ-OD1 3.45Å; P168-N210 WeakPolarHBondContact CD-O 3.32Å; S171-N210 PolarHBondContact OG-O 3.38Å; K208-N210 VanDerWaalsContact C-N 3.29Å; K208-N210 PolarHBondContact O-N 2.9Å; K208-N210 PolarHBondContact O-ND2 3.22Å; K208-N210 VanDerWaalsContact O-ND2 3.12Å
211	L	95.7	Very high	90.1	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.047	23%	0.234	C	C	.	.			trans	-63.6	156.7	165.7	-65.6	174	0	0	0	110.4	I146 Y166 L167 A194 T197 L198 V206 R209	I146-L211 HydrophobicContact CD1-CB 4.2Å; I146-L211 HydrophobicContact CD1-CD1 4.32Å; I146-L211 HydrophobicContact CG1-CB 4.1Å; I146-L211 HydrophobicContact CG1-CD1 4.47Å; I146-L211 HydrophobicContact CG2-CB 4.25Å; I146-L211 VanDerWaalsContact CG2-O 3.29Å; I146-L211 WeakPolarHBondContact CG2-O 3.39Å; Y166-L211 WeakPolarHBondContact O-CD2 3.29Å; L167-L211 HydrophobicContact CB-CD2 4.07Å; L167-L211 HydrophobicContact CD1-CD2 3.85Å; A194-L211 HydrophobicContact CB-CD2 3.84Å; T197-L211 HydrophobicContact CG2-CD1 3.59Å; T197-L211 HydrophobicContact CG2-CD2 4.3Å; T197-L211 HydrophobicContact CG2-CG 3.88Å; L198-L211 HydrophobicContact CD1-CD1 4.46Å; L198-L211 HydrophobicContact CD2-CD1 3.52Å; L198-L211 HydrophobicContact CG-CD1 3.64Å; V206-L211 HydrophobicContact CG1-CD1 4.34Å; R209-L211 PolarHBondContact O-N 2.84Å
212	A	96.7	Very high	89.8	Confident	15 Å²	15	39.4 Å²	39.4	12%	0.124	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	169.1	172.4	0	0	0	0	0	109.9	A165 Y166 P168	A165-A212 WeakPolarHBondContact CA-O 3.23Å; Y166-A212 WeakPolarHBondContact CD1-O 3.38Å; Y166-A212 HydrophobicContact CE1-CB 3.89Å; Y166-A212 HydrophobicContact CE2-CB 4.01Å; Y166-A212 PolarHBondContact N-O 2.96Å; Y166-A212 PolarHBondContact O-N 3.06Å; P168-A212 HydrophobicContact CG-CB 4.11Å
213	T	98	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.9	179.7	54.9	0	0	0	0	113.6	I115 I146 D148 I149 E164 A165 L215 S240	I115-T213 HydrophobicContact CD1-CG2 3.71Å; I146-T213 HydrophobicContact CD1-CG2 4.12Å; I146-T213 HydrophobicContact CG2-CG2 4.11Å; D148-T213 VanDerWaalsContact CG-OG1 3.3Å; D148-T213 PolarHBondContact OD1-N 2.88Å; D148-T213 PolarHBondContact OD1-OG1 3.45Å; D148-T213 PolarHBondContact OD2-N 3.1Å; D148-T213 PolarHBondContact OD2-OG1 2.82Å; D148-T213 VanDerWaalsContact OD2-OG1 3.12Å; I149-T213 HydrophobicContact CD1-CG2 3.88Å; I149-T213 HydrophobicContact CG1-CG2 4.08Å; E164-T213 VanDerWaalsContact O-CA 3.28Å; E164-T213 WeakPolarHBondContact O-CA 3.29Å; A165-T213 HydrophobicContact CB-CG2 4.09Å; T213-L215 WeakPolarHBondContact OG1-CD2 3.42Å; T213-S240 WeakPolarHBondContact O-CB 3.39Å
214	F	98.3	Very high	89.8	Confident	20 Å²	20	43.6 Å²	43.6	9%	0.088	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.4	156.5	-74.6	-59.3	0	0	0	109	I110 G163 E164 Y166 S240 V241 N242 Y270	I110-F214 HydrophobicContact CD1-CD2 3.72Å; I110-F214 HydrophobicContact CD1-CE2 4.24Å; I110-F214 HydrophobicContact CG1-CB 4.25Å; I110-F214 HydrophobicContact CG1-CD2 3.9Å; I110-F214 HydrophobicContact CG1-CG 4.5Å; G163-F214 CarbonylContact C-O 3.59Å; G163-F214 WeakPolarHBondContact CA-O 3.43Å; E164-F214 PolarHBondContact N-O 3.27Å; E164-F214 PolarHBondContact O-N 2.94Å; Y166-F214 HydrophobicContact CD1-CD2 4.05Å; Y166-F214 HydrophobicContact CD1-CE2 4.49Å; Y166-F214 AromaticContact CE1-CD2 3.35Å; Y166-F214 HydrophobicContact CE1-CD2 3.35Å; Y166-F214 AromaticContact CE1-CE2 3.52Å; Y166-F214 HydrophobicContact CE1-CE2 3.52Å; Y166-F214 HydrophobicContact CE1-CG 4.12Å; Y166-F214 HydrophobicContact CE1-CZ 4.4Å; Y166-F214 AromaticContact CZ-CD2 3.96Å; Y166-F214 AromaticContact CZ-CE2 3.6Å; Y166-F214 WeakPolarHBondContact OH-CE2 3.33Å; F214-S240 WeakPolarHBondContact CA-O 3.46Å; F214-V241 VanDerWaalsContact CD1-C 3.5Å; F214-N242 HydrophobicContact CD1-CB 3.85Å; F214-N242 VanDerWaalsContact CD1-N 3.26Å; F214-N242 HydrophobicContact CD2-CB 4.36Å; F214-N242 HydrophobicContact CE1-CB 4.07Å; F214-N242 WeakPolarHBondContact CE2-ND2 3.5Å; F214-N242 HydrophobicContact CG-CB 4Å; F214-N242 HydrophobicContact CZ-CB 4.42Å; F214-Y270 AromaticContact CE2-CD1 3.87Å; F214-Y270 HydrophobicContact CE2-CD1 3.87Å; F214-Y270 HydrophobicContact CE2-CD2 4.35Å; F214-Y270 AromaticContact CE2-CE1 3.54Å; F214-Y270 HydrophobicContact CE2-CE1 3.54Å; F214-Y270 HydrophobicContact CE2-CE2 4.03Å; F214-Y270 HydrophobicContact CE2-CG 4.29Å; F214-Y270 AromaticContact CE2-CZ 3.63Å; F214-Y270 HydrophobicContact CZ-CD1 4.38Å; F214-Y270 AromaticContact CZ-CE1 3.75Å; F214-Y270 HydrophobicContact CZ-CE1 3.75Å
215	L	97.8	Very high	90.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.5	176.4	-65.7	-57	0	0	0	108.5	L117 V161 T213 L234 F239 S240	L117-L215 HydrophobicContact CD1-CD1 4.11Å; V161-L215 HydrophobicContact CG2-CD1 4.07Å; V161-L215 HydrophobicContact CG2-CG 4.42Å; T213-L215 WeakPolarHBondContact OG1-CD2 3.42Å; L215-L234 HydrophobicContact CB-CD1 4.21Å; L215-F239 HydrophobicContact CB-CB 4.13Å; L215-F239 HydrophobicContact CD2-CB 3.99Å; L215-F239 HydrophobicContact CD2-CD1 4.07Å; L215-F239 HydrophobicContact CD2-CG 4.38Å; L215-F239 HydrophobicContact CG-CB 3.99Å; L215-F239 HydrophobicContact CG-CD1 3.95Å; L215-F239 HydrophobicContact CG-CG 4.09Å; L215-S240 PolarHBondContact N-O 2.87Å
216	Y	95.9	Very high	90.5	Very high	54 Å²	54	45.5 Å²	45.5	21%	0.212	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	0.8	-171	53.3	-116.5	0	0	0	114.7	R162 G163 E164 Q227 L231 K278	R162-Y216 HydrophobicContact CB-CE2 4.38Å; R162-Y216 PolarHBondContact O-N 3.43Å; G163-Y216 PolarHBondContact O-OH 2.9Å; E164-Y216 HydrophobicContact CB-CE1 4.16Å; Y216-Q227 PolarHBondContact O-NE2 3.36Å; Y216-L231 VanDerWaalsContact CA-CD2 3.5Å; Y216-K278 PolarHBondContact O-NZ 3.09Å
217	Q	94	Very high	90.7	Very high	45 Å²	45	45.7 Å²	45.7	21%	0.21	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	141	-178.1	175.7	175.6	36.2	0	0	111.5	V161 R162	V161-Q217 CarbonylContact C-O 3.46Å; V161-Q217 VanDerWaalsContact CA-O 3.27Å; V161-Q217 WeakPolarHBondContact CA-O 3.34Å; R162-Q217 HydrophobicContact CB-CB 4.25Å; R162-Q217 PolarHBondContact N-O 3.16Å; R162-Q217 PolarHBondContact O-N 3.29Å
218	E	93.3	Very high	91.1	Very high	25 Å²	25	45.7 Å²	45.7	12%	0.117	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140	161.9	-173.6	179.8	-179.8	0	0	108.8	T222 V230	E218-T222 WeakPolarHBondContact OE2-CB 3.32Å; E218-T222 PolarHBondContact OE2-OG1 3Å; E218-V230 HydrophobicContact CB-CG1 3.95Å
219	V	87.1	Confident	91.5	Very high	15 Å²	15	40.7 Å²	40.7	9%	0.091	25%	0.246	C	C	.	.			trans	-103.5	148.3	-173	-175.6	0	0	0	0	111	T74 T160 R162 S221	T74-V219 HydrophobicContact CG2-CG1 4.02Å; T160-V219 HydrophobicContact CG2-CB 4.11Å; T160-V219 HydrophobicContact CG2-CG2 3.93Å; T160-V219 PolarHBondContact O-N 2.99Å; R162-V219 HydrophobicContact CG-CG2 3.77Å; V219-S221 VanDerWaalsContact C-N 3.34Å; V219-S221 PolarHBondContact O-N 2.63Å
220	A	70.9	Confident	91.7	Very high	96 Å²	96	39.5 Å²	39.5	79%	0.793	24%	0.241	S	C	*	.	S	Bend	trans	71.3	-59.6	172.2	0	0	0	0	0	116.3
221	S	68.5	Low	91.9	Very high	100 Å²	100	37 Å²	37	70%	0.699	23%	0.228	S	C	*	.			trans	-149.6	99.1	-176.3	60.1	0	0	0	0	111.6	V219	V219-S221 VanDerWaalsContact C-N 3.34Å; V219-S221 PolarHBondContact O-N 2.63Å
222	T	81.2	Confident	91.9	Very high	38 Å²	38	40 Å²	40	23%	0.233	24%	0.242	C	C	.	.			trans	-100.2	144.7	167.3	-173.3	0	0	0	0	109.3	E218 M224 V230 L282	E218-T222 WeakPolarHBondContact OE2-CB 3.32Å; E218-T222 PolarHBondContact OE2-OG1 3Å; T222-M224 HydrophobicContact CG2-CB 4.25Å; T222-M224 PolarHBondContact O-N 2.92Å; T222-M224 WeakPolarHBondContact OG1-CB 3.26Å; T222-M224 PolarHBondContact OG1-N 2.98Å; T222-V230 HydrophobicContact CG2-CG2 3.92Å; T222-L282 HydrophobicContact CG2-CD1 3.28Å
223	S	84.9	Confident	91.8	Very high	103 Å²	103	40.4 Å²	40.4	72%	0.72	24%	0.241	S	C	*	.	S	Bend	trans	-79.7	-4.3	171	55.5	0	0	0	0	112.9
224	M	92.6	Very high	91.7	Very high	45 Å²	45	40.4 Å²	40.4	22%	0.222	24%	0.241	C	C	.	.			trans	-75.1	153.6	180	-64.7	-57	100.6	0	0	111.3	T222 D229 V230 E233 L282	T222-M224 HydrophobicContact CG2-CB 4.25Å; T222-M224 PolarHBondContact O-N 2.92Å; T222-M224 WeakPolarHBondContact OG1-CB 3.26Å; T222-M224 PolarHBondContact OG1-N 2.98Å; M224-D229 HydrophobicContact CB-CB 3.94Å; M224-D229 HydrophobicContact CG-CB 4.05Å; M224-D229 HydrophobicContact SD-CB 3.77Å; M224-V230 HydrophobicContact CB-CG2 3.73Å; M224-V230 HydrophobicContact CG-CG2 4.19Å; M224-E233 HydrophobicContact CG-CB 4.19Å; M224-E233 HydrophobicContact SD-CB 4.23Å; M224-E233 HydrophobicContact SD-CG 4.46Å; M224-L282 WeakPolarHBondContact O-CD1 3.47Å
225	T	93.9	Very high	91.5	Very high	99 Å²	99	42.5 Å²	42.5	61%	0.607	26%	0.258	S	S	*	.	S	Bend	trans	-99	-25.6	179.9	60.6	0	0	0	0	112.4	D229 L282	T225-D229 PolarHBondContact OG1-OD2 3.12Å; T225-L282 PolarHBondContact O-N 3.31Å
226	T	97.1	Very high	91.3	Very high	30 Å²	30	50 Å²	50	18%	0.184	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-126	155	179.3	76.9	0	0	0	0	113.3	N228 D229 V230 N280	T226-N228 VanDerWaalsContact C-N 3.27Å; T226-N228 PolarHBondContact O-N 2.84Å; T226-D229 WeakPolarHBondContact CB-OD2 3.48Å; T226-D229 PolarHBondContact N-OD2 2.8Å; T226-D229 WeakPolarHBondContact O-CB 3.19Å; T226-D229 PolarHBondContact O-N 2.73Å; T226-D229 VanDerWaalsContact O-N 3.13Å; T226-D229 PolarHBondContact OG1-N 3.03Å; T226-D229 VanDerWaalsContact OG1-N 3.17Å; T226-D229 PolarHBondContact OG1-OD1 3.19Å; T226-D229 PolarHBondContact OG1-OD2 2.8Å; T226-V230 PolarHBondContact O-N 3.17Å; T226-N280 CarbonylContact C-O 3.55Å; T226-N280 WeakPolarHBondContact CA-O 3.49Å; T226-N280 WeakPolarHBondContact CB-O 3.36Å
227	Q	96.3	Very high	91.1	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.028	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-36.9	174.4	175.2	63.1	24.2	0	0	111.5	M105 Y216 V230 L231 K278 N280 L282	M105-Q227 HydrophobicContact CB-CG 4.41Å; M105-Q227 HydrophobicContact CE-CG 3.39Å; Y216-Q227 PolarHBondContact O-NE2 3.36Å; Q227-V230 WeakPolarHBondContact O-CB 3.44Å; Q227-V230 PolarHBondContact O-N 2.95Å; Q227-L231 PolarHBondContact O-N 3.47Å; Q227-K278 HydrophobicContact CG-CB 4.4Å; Q227-K278 HydrophobicContact CG-CD 3.86Å; Q227-K278 VanDerWaalsContact NE2-NZ 3.19Å; Q227-N280 PolarHBondContact N-O 3.33Å; Q227-N280 PolarHBondContact N-OD1 3.49Å; Q227-L282 HydrophobicContact CB-CD2 4.18Å
228	N	97.1	Very high	91	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-39.8	173.8	-178.1	73.8	0	0	0	112	T226 V230 L231 E232 R245 N280	T226-N228 VanDerWaalsContact C-N 3.27Å; T226-N228 PolarHBondContact O-N 2.84Å; N228-V230 VanDerWaalsContact C-N 3.3Å; N228-V230 PolarHBondContact O-N 2.79Å; N228-L231 WeakPolarHBondContact O-CB 3.45Å; N228-L231 PolarHBondContact O-N 3.28Å; N228-L231 VanDerWaalsContact O-N 3.15Å; N228-E232 PolarHBondContact ND2-OE1 3.32Å; N228-E232 PolarHBondContact O-N 3.11Å; N228-R245 PolarHBondContact OD1-NE 2.73Å; N228-N280 PolarHBondContact N-OD1 3.02Å; N228-N280 VanDerWaalsContact N-OD1 3.09Å
229	D	97.1	Very high	91.2	Very high	45 Å²	45	45.7 Å²	45.7	24%	0.241	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-36.5	176.8	-58.4	-35.9	0	0	0	111.5	M224 T225 T226 L231 E232 E233	M224-D229 HydrophobicContact CB-CB 3.94Å; M224-D229 HydrophobicContact CG-CB 4.05Å; M224-D229 HydrophobicContact SD-CB 3.77Å; T225-D229 PolarHBondContact OG1-OD2 3.12Å; T226-D229 WeakPolarHBondContact CB-OD2 3.48Å; T226-D229 PolarHBondContact N-OD2 2.8Å; T226-D229 WeakPolarHBondContact O-CB 3.19Å; T226-D229 PolarHBondContact O-N 2.73Å; T226-D229 VanDerWaalsContact O-N 3.13Å; T226-D229 PolarHBondContact OG1-N 3.03Å; T226-D229 VanDerWaalsContact OG1-N 3.17Å; T226-D229 PolarHBondContact OG1-OD1 3.19Å; T226-D229 PolarHBondContact OG1-OD2 2.8Å; D229-L231 VanDerWaalsContact C-N 3.32Å; D229-L231 PolarHBondContact O-N 2.94Å; D229-E232 PolarHBondContact O-N 2.79Å; D229-E233 WeakPolarHBondContact O-CB 3.48Å; D229-E233 PolarHBondContact O-N 2.85Å
230	V	96.6	Very high	91.6	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-46.2	171.7	173.7	0	0	0	0	110.8	E218 T222 M224 T226 Q227 N228 E232 E233 L234 L282	E218-V230 HydrophobicContact CB-CG1 3.95Å; T222-V230 HydrophobicContact CG2-CG2 3.92Å; M224-V230 HydrophobicContact CB-CG2 3.73Å; M224-V230 HydrophobicContact CG-CG2 4.19Å; T226-V230 PolarHBondContact O-N 3.17Å; Q227-V230 WeakPolarHBondContact O-CB 3.44Å; Q227-V230 PolarHBondContact O-N 2.95Å; N228-V230 VanDerWaalsContact C-N 3.3Å; N228-V230 PolarHBondContact O-N 2.79Å; V230-E232 VanDerWaalsContact C-N 3.34Å; V230-E232 PolarHBondContact O-N 3Å; V230-E233 PolarHBondContact O-N 3.29Å; V230-L234 HydrophobicContact CG1-CD1 4.17Å; V230-L234 HydrophobicContact CG1-CG 4.34Å; V230-L234 VanDerWaalsContact O-CG 3.29Å; V230-L234 WeakPolarHBondContact O-CG 3.23Å; V230-L234 PolarHBondContact O-N 3.47Å; V230-L282 HydrophobicContact CG2-CD1 3.83Å
231	L	97	Very high	92.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-39.5	178.3	-68.7	-166	0	0	0	112.5	M105 Y216 Q227 N228 D229 L234 S235 V241 R245	M105-L231 HydrophobicContact CE-CD1 3.48Å; M105-L231 VanDerWaalsContact CE-CD1 3.48Å; M105-L231 HydrophobicContact CE-CG 4.25Å; M105-L231 HydrophobicContact SD-CD1 4.21Å; Y216-L231 VanDerWaalsContact CA-CD2 3.5Å; Q227-L231 PolarHBondContact O-N 3.47Å; N228-L231 WeakPolarHBondContact O-CB 3.45Å; N228-L231 PolarHBondContact O-N 3.28Å; N228-L231 VanDerWaalsContact O-N 3.15Å; D229-L231 VanDerWaalsContact C-N 3.32Å; D229-L231 PolarHBondContact O-N 2.94Å; L231-L234 HydrophobicContact CD2-CD1 4.48Å; L231-S235 PolarHBondContact O-N 2.89Å; L231-S235 VanDerWaalsContact O-N 3.13Å; L231-V241 HydrophobicContact CB-CG1 3.83Å; L231-V241 HydrophobicContact CD1-CG1 4.23Å; L231-V241 HydrophobicContact CD2-CG1 4Å; L231-V241 HydrophobicContact CG-CG1 4.23Å; L231-R245 VanDerWaalsContact CD1-CD 3.4Å
232	E	95.9	Very high	94.2	Very high	72 Å²	72	37.3 Å²	37.3	34%	0.336	20%	0.203	S	C	.	.	H	α-helix	trans	-65.4	-40.6	174.5	-69.8	-179.9	-165.2	0	0	111.9	N228 D229 V230 S235 R236	N228-E232 PolarHBondContact ND2-OE1 3.32Å; N228-E232 PolarHBondContact O-N 3.11Å; D229-E232 PolarHBondContact O-N 2.79Å; V230-E232 VanDerWaalsContact C-N 3.34Å; V230-E232 PolarHBondContact O-N 3Å; E232-S235 WeakPolarHBondContact O-CB 3.43Å; E232-S235 PolarHBondContact O-N 3.24Å; E232-R236 WeakPolarHBondContact O-CG 3.45Å; E232-R236 PolarHBondContact O-N 3.46Å; E232-R236 IonicContact OE2-NH2 3.72Å
233	E	94.8	Very high	94.8	Very high	24 Å²	24	40.3 Å²	40.3	11%	0.112	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-42.3	179.4	-164.6	65.1	-165.9	0	0	111.7	M224 D229 V230 S235 R236 Y237	M224-E233 HydrophobicContact CG-CB 4.19Å; M224-E233 HydrophobicContact SD-CB 4.23Å; M224-E233 HydrophobicContact SD-CG 4.46Å; D229-E233 WeakPolarHBondContact O-CB 3.48Å; D229-E233 PolarHBondContact O-N 2.85Å; V230-E233 PolarHBondContact O-N 3.29Å; E233-S235 VanDerWaalsContact C-N 3.28Å; E233-S235 PolarHBondContact O-N 3.2Å; E233-R236 WeakPolarHBondContact O-CB 3.27Å; E233-R236 PolarHBondContact O-N 3.07Å; E233-R236 VanDerWaalsContact O-N 3.08Å; E233-R236 IonicContact OE2-CZ 2.71Å; E233-R236 IonicContact OE2-NH1 3.82Å; E233-R236 PolarHBondContact OE2-NH1 2.89Å; E233-Y237 HydrophobicContact CG-CE1 3.99Å; E233-Y237 HydrophobicContact CG-CE2 3.82Å; E233-Y237 VanDerWaalsContact CG-CZ 3.45Å; E233-Y237 VanDerWaalsContact CG-OH 3.27Å; E233-Y237 WeakPolarHBondContact CG-OH 3.21Å; E233-Y237 PolarHBondContact O-N 2.81Å; E233-Y237 WeakPolarHBondContact OE1-CE1 3.41Å; E233-Y237 PolarHBondContact OE1-OH 3.11Å
234	L	95.7	Very high	95.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-42.2	172.1	-70.4	178.5	0	0	0	111.6	V161 L215 V230 L231 R236 Y237 G238 F239 V241	V161-L234 HydrophobicContact CB-CD2 4.2Å; V161-L234 HydrophobicContact CG1-CD2 3.46Å; V161-L234 VanDerWaalsContact CG1-CD2 3.46Å; L215-L234 HydrophobicContact CB-CD1 4.21Å; V230-L234 HydrophobicContact CG1-CD1 4.17Å; V230-L234 HydrophobicContact CG1-CG 4.34Å; V230-L234 VanDerWaalsContact O-CG 3.29Å; V230-L234 WeakPolarHBondContact O-CG 3.23Å; V230-L234 PolarHBondContact O-N 3.47Å; L231-L234 HydrophobicContact CD2-CD1 4.48Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 2.88Å; L234-Y237 PolarHBondContact O-N 2.73Å; L234-G238 PolarHBondContact O-N 2.98Å; L234-F239 HydrophobicContact CB-CB 4.36Å; L234-F239 HydrophobicContact CB-CD2 4.2Å; L234-F239 HydrophobicContact CD2-CD2 3.78Å; L234-F239 HydrophobicContact CD2-CE2 4.11Å; L234-F239 WeakPolarHBondContact O-CB 3.44Å; L234-F239 WeakPolarHBondContact O-CD2 3.4Å; L234-F239 PolarHBondContact O-N 2.97Å; L234-V241 HydrophobicContact CB-CG2 3.79Å
235	S	94.3	Very high	95.6	Very high	64 Å²	64	39.8 Å²	39.8	45%	0.448	20%	0.203	S	C	.	.	H	α-helix	trans	-62.1	-40.9	174.9	-176.2	0	0	0	0	111.9	L231 E232 E233 Y237 G238	L231-S235 PolarHBondContact O-N 2.89Å; L231-S235 VanDerWaalsContact O-N 3.13Å; E232-S235 WeakPolarHBondContact O-CB 3.43Å; E232-S235 PolarHBondContact O-N 3.24Å; E233-S235 VanDerWaalsContact C-N 3.28Å; E233-S235 PolarHBondContact O-N 3.2Å; S235-Y237 VanDerWaalsContact C-N 3.3Å; S235-Y237 PolarHBondContact O-N 3.21Å; S235-G238 PolarHBondContact O-N 2.63Å
236	R	92.7	Very high	95.8	Very high	159 Å²	159	37.3 Å²	37.3	60%	0.6	19%	0.186	S	C	*	.	H	α-helix	trans	-63.2	-33.8	174.4	-69.6	174.7	-168.1	149.3	5.8	112.8	E232 E233 L234 G238	E232-R236 WeakPolarHBondContact O-CG 3.45Å; E232-R236 PolarHBondContact O-N 3.46Å; E232-R236 IonicContact OE2-NH2 3.72Å; E233-R236 WeakPolarHBondContact O-CB 3.27Å; E233-R236 PolarHBondContact O-N 3.07Å; E233-R236 VanDerWaalsContact O-N 3.08Å; E233-R236 IonicContact OE2-CZ 2.71Å; E233-R236 IonicContact OE2-NH1 3.82Å; E233-R236 PolarHBondContact OE2-NH1 2.89Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 2.88Å; R236-G238 PolarHBondContact O-N 3.1Å
237	Y	92.4	Very high	95.9	Very high	28 Å²	28	39.2 Å²	39.2	11%	0.11	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.6	174.3	-62.1	-18	0	0	0	113.6	L157 I159 E233 L234 S235 F239	L157-Y237 HydrophobicContact CD1-CD1 3.96Å; L157-Y237 HydrophobicContact CD1-CD2 3.89Å; L157-Y237 HydrophobicContact CD1-CE1 3.63Å; L157-Y237 HydrophobicContact CD1-CE2 3.51Å; L157-Y237 HydrophobicContact CD1-CG 4.11Å; I159-Y237 HydrophobicContact CD1-CD2 3.95Å; I159-Y237 HydrophobicContact CD1-CE2 4.17Å; E233-Y237 HydrophobicContact CG-CE1 3.99Å; E233-Y237 HydrophobicContact CG-CE2 3.82Å; E233-Y237 VanDerWaalsContact CG-CZ 3.45Å; E233-Y237 VanDerWaalsContact CG-OH 3.27Å; E233-Y237 WeakPolarHBondContact CG-OH 3.21Å; E233-Y237 PolarHBondContact O-N 2.81Å; E233-Y237 WeakPolarHBondContact OE1-CE1 3.41Å; E233-Y237 PolarHBondContact OE1-OH 3.11Å; L234-Y237 PolarHBondContact O-N 2.73Å; S235-Y237 VanDerWaalsContact C-N 3.3Å; S235-Y237 PolarHBondContact O-N 3.21Å; Y237-F239 HydrophobicContact CD2-CE2 4.35Å
238	G	92.2	Very high	96	Very high	5 Å²	5	40 Å²	40	5%	0.052	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	16.1	178.4	0	0	0	0	0	113.9	L234 S235 R236	L234-G238 PolarHBondContact O-N 2.98Å; S235-G238 PolarHBondContact O-N 2.63Å; R236-G238 PolarHBondContact O-N 3.1Å
239	F	96.1	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.			trans	-82.4	144.7	171.2	-63	-66.9	0	0	0	111.4	Y119 P150 L153 I159 V161 L215 L234 Y237 V241	Y119-F239 HydrophobicContact CD2-CZ 4.22Å; Y119-F239 AromaticContact CE2-CE1 3.79Å; Y119-F239 HydrophobicContact CE2-CE1 3.79Å; Y119-F239 AromaticContact CE2-CZ 3.61Å; Y119-F239 HydrophobicContact CE2-CZ 3.61Å; Y119-F239 AromaticContact CZ-CE1 3.78Å; Y119-F239 AromaticContact CZ-CZ 3.84Å; Y119-F239 WeakPolarHBondContact OH-CE1 3.21Å; P150-F239 HydrophobicContact CG-CD1 3.98Å; P150-F239 HydrophobicContact CG-CE1 3.72Å; P150-F239 HydrophobicContact CG-CZ 4.33Å; L153-F239 HydrophobicContact CD1-CE2 4.43Å; L153-F239 HydrophobicContact CD1-CZ 4.26Å; L153-F239 HydrophobicContact CD2-CE1 4.25Å; L153-F239 HydrophobicContact CD2-CE2 3.98Å; L153-F239 HydrophobicContact CD2-CZ 3.62Å; I159-F239 HydrophobicContact CD1-CE2 4.18Å; V161-F239 HydrophobicContact CG1-CE2 4.15Å; V161-F239 HydrophobicContact CG1-CZ 4.4Å; V161-F239 HydrophobicContact CG2-CE1 4.03Å; V161-F239 HydrophobicContact CG2-CE2 4.31Å; V161-F239 HydrophobicContact CG2-CZ 3.86Å; L215-F239 HydrophobicContact CB-CB 4.13Å; L215-F239 HydrophobicContact CD2-CB 3.99Å; L215-F239 HydrophobicContact CD2-CD1 4.07Å; L215-F239 HydrophobicContact CD2-CG 4.38Å; L215-F239 HydrophobicContact CG-CB 3.99Å; L215-F239 HydrophobicContact CG-CD1 3.95Å; L215-F239 HydrophobicContact CG-CG 4.09Å; L234-F239 HydrophobicContact CB-CB 4.36Å; L234-F239 HydrophobicContact CB-CD2 4.2Å; L234-F239 HydrophobicContact CD2-CD2 3.78Å; L234-F239 HydrophobicContact CD2-CE2 4.11Å; L234-F239 WeakPolarHBondContact O-CB 3.44Å; L234-F239 WeakPolarHBondContact O-CD2 3.4Å; L234-F239 PolarHBondContact O-N 2.97Å; Y237-F239 HydrophobicContact CD2-CE2 4.35Å; F239-V241 PolarHBondContact O-N 3.1Å
240	S	96.8	Very high	96	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.063	22%	0.219	C	C	.	.			trans	-66.3	122.6	166.7	-64.8	0	0	0	0	110.3	D148 T213 F214 L215	D148-S240 WeakPolarHBondContact CB-OG 3.33Å; D148-S240 VanDerWaalsContact OD2-CB 3.31Å; D148-S240 WeakPolarHBondContact OD2-CB 3.27Å; D148-S240 PolarHBondContact OD2-OG 2.87Å; T213-S240 WeakPolarHBondContact O-CB 3.39Å; F214-S240 WeakPolarHBondContact CA-O 3.46Å; L215-S240 PolarHBondContact N-O 2.87Å
241	V	97.4	Very high	96.1	Very high	20 Å²	20	42.1 Å²	42.1	12%	0.121	22%	0.222	C	C	.	.			trans	-128.3	135.4	178.3	176.3	0	0	0	0	108.5	F214 L231 L234 F239 P243	F214-V241 VanDerWaalsContact CD1-C 3.5Å; L231-V241 HydrophobicContact CB-CG1 3.83Å; L231-V241 HydrophobicContact CD1-CG1 4.23Å; L231-V241 HydrophobicContact CD2-CG1 4Å; L231-V241 HydrophobicContact CG-CG1 4.23Å; L234-V241 HydrophobicContact CB-CG2 3.79Å; F239-V241 PolarHBondContact O-N 3.1Å; V241-P243 WeakPolarHBondContact O-CD 3.31Å
242	N	96.9	Very high	96.1	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.032	24%	0.243	C	C	.	.			trans	-67.1	123	-175.7	-163.3	-61.2	0	0	0	110.6	F214 R244 R245 Y270	F214-N242 HydrophobicContact CD1-CB 3.85Å; F214-N242 VanDerWaalsContact CD1-N 3.26Å; F214-N242 HydrophobicContact CD2-CB 4.36Å; F214-N242 HydrophobicContact CE1-CB 4.07Å; F214-N242 WeakPolarHBondContact CE2-ND2 3.5Å; F214-N242 HydrophobicContact CG-CB 4Å; F214-N242 HydrophobicContact CZ-CB 4.42Å; N242-R244 VanDerWaalsContact C-N 3.32Å; N242-R244 PolarHBondContact O-N 2.75Å; N242-R244 WeakPolarHBondContact OD1-CB 3.3Å; N242-R244 PolarHBondContact OD1-N 3.41Å; N242-R245 PolarHBondContact O-NH1 3.16Å; N242-Y270 PolarHBondContact ND2-OH 3.31Å
243	P	94	Very high	96.2	Very high	101 Å²	101	45.1 Å²	45.1	66%	0.656	25%	0.248	S	C	*	.	S	Bend	trans	-75.7	-20.3	-177.6	30.3	-35.2	0	0	0	113	V241 R245	V241-P243 WeakPolarHBondContact O-CD 3.31Å; P243-R245 PolarHBondContact O-N 2.81Å
244	R	96	Very high	96.4	Very high	79 Å²	79	44 Å²	44	30%	0.298	24%	0.242	S	C	.	.			trans	-84.3	85.2	-176.1	-171.7	62.8	161.1	145.2	-3.2	110.1	L108 N242 F257 E260 V261 E264	L108-R244 HydrophobicContact CD1-CB 3.89Å; L108-R244 HydrophobicContact CD1-CG 4.09Å; L108-R244 HydrophobicContact CD2-CG 4.13Å; L108-R244 HydrophobicContact CG-CB 4.08Å; L108-R244 HydrophobicContact CG-CG 4.16Å; N242-R244 VanDerWaalsContact C-N 3.32Å; N242-R244 PolarHBondContact O-N 2.75Å; N242-R244 WeakPolarHBondContact OD1-CB 3.3Å; N242-R244 PolarHBondContact OD1-N 3.41Å; R244-F257 HydrophobicContact CG-CE2 4.16Å; R244-F257 HydrophobicContact CG-CZ 4.23Å; R244-E260 IonicContact NH2-OE2 3.81Å; R244-V261 HydrophobicContact CG-CG2 4.5Å; R244-E264 IonicContact CZ-OE2 3.65Å; R244-E264 IonicContact NE-OE2 2.8Å; R244-E264 IonicContact NH2-OE1 3.88Å; R244-E264 IonicContact NH2-OE2 3.54Å; R244-E264 PolarHBondContact NH2-OE2 3.34Å
245	R	97.4	Very high	96.6	Very high	59 Å²	59	46 Å²	46	22%	0.223	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.1	176.6	63.4	-176.4	-176.7	-84	-0.5	111.4	M105 A106 E107 N228 L231 N242 P243	M105-R245 HydrophobicContact SD-CB 4.08Å; A106-R245 CarbonylContact O-C 3.53Å; A106-R245 WeakPolarHBondContact O-CA 3.21Å; A106-R245 VanDerWaalsContact O-CB 3.31Å; A106-R245 WeakPolarHBondContact O-CB 3.47Å; E107-R245 HydrophobicContact CB-CB 4.12Å; N228-R245 PolarHBondContact OD1-NE 2.73Å; L231-R245 VanDerWaalsContact CD1-CD 3.4Å; N242-R245 PolarHBondContact O-NH1 3.16Å; P243-R245 PolarHBondContact O-N 2.81Å
246	I	98.4	Very high	96.8	Very high	47 Å²	47	48.6 Å²	48.6	24%	0.241	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.2	172.6	62.6	161.3	0	0	0	110.9	M105 A106 T248 F257	M105-I246 WeakPolarHBondContact CA-O 3.27Å; A106-I246 HydrophobicContact CB-CG1 4Å; A106-I246 PolarHBondContact N-O 3.21Å; A106-I246 PolarHBondContact O-N 3.31Å; I246-T248 HydrophobicContact CD1-CG2 3.98Å; I246-F257 HydrophobicContact CD1-CB 3.55Å; I246-F257 HydrophobicContact CD1-CD1 4.22Å; I246-F257 HydrophobicContact CD1-CD2 4.37Å; I246-F257 HydrophobicContact CD1-CG 3.81Å; I246-F257 HydrophobicContact CG1-CB 4.24Å; I246-F257 HydrophobicContact CG1-CD1 4.03Å; I246-F257 HydrophobicContact CG1-CD2 4.28Å; I246-F257 HydrophobicContact CG1-CE1 4.46Å; I246-F257 HydrophobicContact CG1-CG 3.92Å; I246-F257 HydrophobicContact CG2-CD2 3.9Å; I246-F257 HydrophobicContact CG2-CE2 4.1Å; I246-F257 HydrophobicContact CG2-CG 4.4Å
247	T	98.6	Very high	97	Very high	69 Å²	69	41.3 Å²	41.3	42%	0.423	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.6	170.2	-57.8	0	0	0	0	109	Y104 N280	Y104-T247 CarbonylContact O-C 3.58Å; Y104-T247 VanDerWaalsContact O-CA 3.25Å; Y104-T247 WeakPolarHBondContact O-CA 3.24Å; T247-N280 HydrophobicContact CG2-CB 4.49Å
248	T	98.5	Very high	97.3	Very high	22 Å²	22	40.1 Å²	40.1	14%	0.135	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155	-177.5	-177.7	0	0	0	0	111.2	Y104 I246 S250 D253 I254	Y104-T248 PolarHBondContact N-O 2.8Å; Y104-T248 PolarHBondContact O-N 2.56Å; I246-T248 HydrophobicContact CD1-CG2 3.98Å; T248-S250 PolarHBondContact OG1-N 3.08Å; T248-S250 VanDerWaalsContact OG1-N 3.1Å; T248-D253 HydrophobicContact CG2-CB 3.94Å; T248-D253 PolarHBondContact OG1-OD2 3.45Å; T248-D253 VanDerWaalsContact OG1-OD2 3.1Å; T248-I254 HydrophobicContact CG2-CD1 4.11Å; T248-I254 HydrophobicContact CG2-CG1 3.53Å
249	S	97.2	Very high	97.5	Very high	69 Å²	69	45.1 Å²	45.1	48%	0.483	24%	0.244	S	C	.	.	S	Bend	trans	-92.3	-4.4	169.4	58.1	0	0	0	0	113.3	K96	K96-S249 PolarHBondContact NZ-O 3.14Å
250	S	97.5	Very high	97.6	Very high	36 Å²	36	48.3 Å²	48.3	25%	0.252	26%	0.258	S	S	.	.			trans	-96.6	113.9	-175.7	174	0	0	0	0	111.3	T248 A252 D253 I254	T248-S250 PolarHBondContact OG1-N 3.08Å; T248-S250 VanDerWaalsContact OG1-N 3.1Å; S250-A252 PolarHBondContact O-N 3.02Å; S250-A252 PolarHBondContact OG-N 3.14Å; S250-D253 VanDerWaalsContact CB-CG 3.46Å; S250-D253 VanDerWaalsContact CB-OD2 3.32Å; S250-D253 WeakPolarHBondContact CB-OD2 3.3Å; S250-D253 PolarHBondContact O-N 2.68Å; S250-D253 VanDerWaalsContact O-N 3.15Å; S250-D253 PolarHBondContact OG-N 3.3Å; S250-D253 VanDerWaalsContact OG-N 3.17Å; S250-D253 PolarHBondContact OG-OD1 3.43Å; S250-I254 PolarHBondContact O-N 2.83Å; S250-I254 VanDerWaalsContact O-N 3.17Å
251	M	97.5	Very high	97.6	Very high	15 Å²	15	48 Å²	48	7%	0.074	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-24.1	172.6	-166.6	54.5	70.4	0	0	112	L88 F91 D92 Y104 I254 W255	L88-M251 HydrophobicContact CB-CG 4.3Å; L88-M251 HydrophobicContact CB-SD 3.94Å; F91-M251 HydrophobicContact CD1-CE 4.2Å; D92-M251 HydrophobicContact CB-CB 4.32Å; D92-M251 HydrophobicContact CB-CE 3.79Å; D92-M251 HydrophobicContact CB-CG 4.41Å; Y104-M251 HydrophobicContact CD2-CE 4.49Å; Y104-M251 HydrophobicContact CE2-CE 4.24Å; M251-I254 HydrophobicContact CE-CD1 4.05Å; M251-I254 PolarHBondContact O-N 3.34Å; M251-I254 HydrophobicContact SD-CB 3.94Å; M251-I254 HydrophobicContact SD-CD1 3.91Å; M251-I254 HydrophobicContact SD-CG2 4Å; M251-W255 WeakPolarHBondContact O-CB 3.31Å; M251-W255 PolarHBondContact O-N 3.45Å
252	A	98.1	Very high	97.3	Very high	53 Å²	53	49.3 Å²	49.3	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-67.1	-37.7	172.8	0	0	0	0	0	112.1	S250 W255 K256	S250-A252 PolarHBondContact O-N 3.02Å; S250-A252 PolarHBondContact OG-N 3.14Å; A252-W255 PolarHBondContact O-N 3.22Å; A252-K256 PolarHBondContact O-N 3.15Å
253	D	98.6	Very high	97.1	Very high	82 Å²	82	53 Å²	53	44%	0.439	30%	0.3	S	S	.	.	H	α-helix	trans	-69.7	-38.6	175.8	-64.4	-5.2	0	0	0	110.8	T248 S250 W255 K256 F257	T248-D253 HydrophobicContact CG2-CB 3.94Å; T248-D253 PolarHBondContact OG1-OD2 3.45Å; T248-D253 VanDerWaalsContact OG1-OD2 3.1Å; S250-D253 VanDerWaalsContact CB-CG 3.46Å; S250-D253 VanDerWaalsContact CB-OD2 3.32Å; S250-D253 WeakPolarHBondContact CB-OD2 3.3Å; S250-D253 PolarHBondContact O-N 2.68Å; S250-D253 VanDerWaalsContact O-N 3.15Å; S250-D253 PolarHBondContact OG-N 3.3Å; S250-D253 VanDerWaalsContact OG-N 3.17Å; S250-D253 PolarHBondContact OG-OD1 3.43Å; D253-W255 VanDerWaalsContact C-N 3.34Å; D253-K256 WeakPolarHBondContact O-CB 3.44Å; D253-K256 PolarHBondContact O-N 3.48Å; D253-F257 WeakPolarHBondContact O-CB 3.33Å; D253-F257 PolarHBondContact O-N 2.85Å
254	I	98.7	Very high	96.9	Very high	1 Å²	1	52 Å²	52	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-42.9	173.6	-63.6	171.2	0	0	0	110.5	Y104 A106 T248 S250 M251 K256 F257 I258 I277	Y104-I254 HydrophobicContact CD2-CD1 3.81Å; Y104-I254 HydrophobicContact CG-CD1 4Å; A106-I254 HydrophobicContact CB-CG1 4.46Å; A106-I254 HydrophobicContact CB-CG2 4.23Å; T248-I254 HydrophobicContact CG2-CD1 4.11Å; T248-I254 HydrophobicContact CG2-CG1 3.53Å; S250-I254 PolarHBondContact O-N 2.83Å; S250-I254 VanDerWaalsContact O-N 3.17Å; M251-I254 HydrophobicContact CE-CD1 4.05Å; M251-I254 PolarHBondContact O-N 3.34Å; M251-I254 HydrophobicContact SD-CB 3.94Å; M251-I254 HydrophobicContact SD-CD1 3.91Å; M251-I254 HydrophobicContact SD-CG2 4Å; I254-K256 VanDerWaalsContact C-N 3.34Å; I254-K256 PolarHBondContact O-N 2.85Å; I254-F257 WeakPolarHBondContact O-CB 3.27Å; I254-F257 PolarHBondContact O-N 2.72Å; I254-I258 HydrophobicContact CG2-CD1 4.02Å; I254-I258 WeakPolarHBondContact O-CG1 3.4Å; I254-I258 PolarHBondContact O-N 2.75Å; I254-I277 HydrophobicContact CD1-CG2 4.04Å; I254-I277 HydrophobicContact CG2-CD1 3.59Å; I254-I277 HydrophobicContact CG2-CG1 3.82Å
255	W	98.4	Very high	96.6	Very high	42 Å²	42	51.6 Å²	51.6	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-61.6	-42.8	175.3	-172.8	-104.6	0	0	0	111.9	R85 L88 M251 A252 D253 F257 I258 Q259 Y301	R85-W255 HydrophobicContact CB-CD2 3.98Å; R85-W255 HydrophobicContact CB-CE3 3.88Å; R85-W255 HydrophobicContact CB-CH2 3.84Å; R85-W255 HydrophobicContact CB-CZ2 3.95Å; R85-W255 HydrophobicContact CB-CZ3 3.81Å; R85-W255 HydrophobicContact CG-CD2 3.98Å; R85-W255 HydrophobicContact CG-CE3 4.13Å; R85-W255 HydrophobicContact CG-CG 4.34Å; L88-W255 HydrophobicContact CD1-CE3 3.94Å; L88-W255 HydrophobicContact CD1-CZ3 4.08Å; M251-W255 WeakPolarHBondContact O-CB 3.31Å; M251-W255 PolarHBondContact O-N 3.45Å; A252-W255 PolarHBondContact O-N 3.22Å; D253-W255 VanDerWaalsContact C-N 3.34Å; W255-F257 VanDerWaalsContact C-N 3.33Å; W255-F257 PolarHBondContact O-N 2.91Å; W255-I258 HydrophobicContact CE3-CD1 4.01Å; W255-I258 HydrophobicContact CE3-CG2 4.46Å; W255-I258 HydrophobicContact CZ3-CD1 4.39Å; W255-I258 HydrophobicContact CZ3-CG2 4.35Å; W255-I258 WeakPolarHBondContact O-CB 3.35Å; W255-I258 PolarHBondContact O-N 2.97Å; W255-Q259 WeakPolarHBondContact O-CG 3.25Å; W255-Q259 PolarHBondContact O-N 2.83Å; W255-Y301 HydrophobicContact CH2-CE2 4.02Å; W255-Y301 AromaticContact CH2-CZ 3.97Å; W255-Y301 HydrophobicContact CZ3-CD2 4.2Å; W255-Y301 AromaticContact CZ3-CE2 3.64Å; W255-Y301 HydrophobicContact CZ3-CE2 3.64Å; W255-Y301 AromaticContact CZ3-CZ 3.86Å
256	K	98.5	Very high	96	Very high	119 Å²	119	55.3 Å²	55.3	52%	0.517	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-44.8	173.9	-169.1	-169.7	-179.9	-123.1	0	111.3	A252 D253 I254 I258 Q259 E260	A252-K256 PolarHBondContact O-N 3.15Å; D253-K256 WeakPolarHBondContact O-CB 3.44Å; D253-K256 PolarHBondContact O-N 3.48Å; I254-K256 VanDerWaalsContact C-N 3.34Å; I254-K256 PolarHBondContact O-N 2.85Å; K256-I258 PolarHBondContact O-N 3.32Å; K256-Q259 PolarHBondContact O-N 2.9Å; K256-E260 WeakPolarHBondContact CE-OE1 3.26Å; K256-E260 IonicContact NZ-OE1 2.87Å; K256-E260 PolarHBondContact NZ-OE1 2.76Å; K256-E260 WeakPolarHBondContact O-CG 3.3Å; K256-E260 PolarHBondContact O-N 3.24Å
257	F	98.6	Very high	95.7	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.022	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-42.1	176	175.4	-109.9	0	0	0	112.4	A106 L108 R244 I246 D253 I254 W255 Q259 E260 V261 I275	A106-F257 HydrophobicContact CB-CD1 4.02Å; A106-F257 HydrophobicContact CB-CE1 4.11Å; L108-F257 HydrophobicContact CD2-CZ 4.42Å; R244-F257 HydrophobicContact CG-CE2 4.16Å; R244-F257 HydrophobicContact CG-CZ 4.23Å; I246-F257 HydrophobicContact CD1-CB 3.55Å; I246-F257 HydrophobicContact CD1-CD1 4.22Å; I246-F257 HydrophobicContact CD1-CD2 4.37Å; I246-F257 HydrophobicContact CD1-CG 3.81Å; I246-F257 HydrophobicContact CG1-CB 4.24Å; I246-F257 HydrophobicContact CG1-CD1 4.03Å; I246-F257 HydrophobicContact CG1-CD2 4.28Å; I246-F257 HydrophobicContact CG1-CE1 4.46Å; I246-F257 HydrophobicContact CG1-CG 3.92Å; I246-F257 HydrophobicContact CG2-CD2 3.9Å; I246-F257 HydrophobicContact CG2-CE2 4.1Å; I246-F257 HydrophobicContact CG2-CG 4.4Å; D253-F257 WeakPolarHBondContact O-CB 3.33Å; D253-F257 PolarHBondContact O-N 2.85Å; I254-F257 WeakPolarHBondContact O-CB 3.27Å; I254-F257 PolarHBondContact O-N 2.72Å; W255-F257 VanDerWaalsContact C-N 3.33Å; W255-F257 PolarHBondContact O-N 2.91Å; F257-Q259 VanDerWaalsContact C-N 3.32Å; F257-Q259 PolarHBondContact O-N 3.17Å; F257-E260 PolarHBondContact O-N 3.02Å; F257-V261 HydrophobicContact CD2-CG2 4.07Å; F257-V261 HydrophobicContact CE1-CG2 4.17Å; F257-V261 HydrophobicContact CE2-CG2 3.66Å; F257-V261 HydrophobicContact CG-CG2 4.49Å; F257-V261 HydrophobicContact CZ-CG2 3.72Å; F257-V261 WeakPolarHBondContact O-CB 3.38Å; F257-V261 WeakPolarHBondContact O-CG2 3.47Å; F257-V261 PolarHBondContact O-N 2.81Å; F257-I275 HydrophobicContact CD1-CD1 4.37Å; F257-I275 HydrophobicContact CD1-CG2 4.33Å; F257-I275 HydrophobicContact CE1-CD1 3.81Å; F257-I275 HydrophobicContact CE1-CG1 4.45Å; F257-I275 HydrophobicContact CE1-CG2 4.17Å; F257-I275 HydrophobicContact CZ-CD1 4.48Å
258	I	98.3	Very high	95.6	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-56.2	-46.8	172.8	-74.7	162.9	0	0	0	110.6	L88 I254 W255 K256 A262 I275 I277 Y301 F303	L88-I258 HydrophobicContact CD1-CD1 3.47Å; L88-I258 VanDerWaalsContact CD1-CD1 3.47Å; I254-I258 HydrophobicContact CG2-CD1 4.02Å; I254-I258 WeakPolarHBondContact O-CG1 3.4Å; I254-I258 PolarHBondContact O-N 2.75Å; W255-I258 HydrophobicContact CE3-CD1 4.01Å; W255-I258 HydrophobicContact CE3-CG2 4.46Å; W255-I258 HydrophobicContact CZ3-CD1 4.39Å; W255-I258 HydrophobicContact CZ3-CG2 4.35Å; W255-I258 WeakPolarHBondContact O-CB 3.35Å; W255-I258 PolarHBondContact O-N 2.97Å; K256-I258 PolarHBondContact O-N 3.32Å; I258-A262 VanDerWaalsContact O-CB 3.29Å; I258-A262 WeakPolarHBondContact O-CB 3.46Å; I258-A262 PolarHBondContact O-N 3.1Å; I258-I275 HydrophobicContact CB-CG1 4.42Å; I258-I275 HydrophobicContact CG1-CB 3.92Å; I258-I275 HydrophobicContact CG1-CG1 3.66Å; I258-I275 HydrophobicContact CG1-CG2 4.21Å; I258-I277 HydrophobicContact CD1-CD1 4.4Å; I258-Y301 HydrophobicContact CB-CD1 4.45Å; I258-Y301 HydrophobicContact CD1-CD1 3.98Å; I258-Y301 HydrophobicContact CD1-CD2 4.48Å; I258-Y301 HydrophobicContact CD1-CG 3.88Å; I258-Y301 HydrophobicContact CG1-CD1 4.11Å; I258-Y301 HydrophobicContact CG1-CG 4.48Å; I258-Y301 HydrophobicContact CG2-CD1 3.47Å; I258-Y301 VanDerWaalsContact CG2-CD1 3.47Å; I258-Y301 HydrophobicContact CG2-CE1 3.25Å; I258-Y301 HydrophobicContact CG2-CG 4.36Å; I258-F303 HydrophobicContact CG2-CE1 4.15Å
259	Q	96.9	Very high	95.4	Very high	110 Å²	110	60.8 Å²	60.8	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-66.8	-41.6	-179.8	-67.7	-178.9	-65.3	0	0	112.5	W255 K256 F257 A262 A263	W255-Q259 WeakPolarHBondContact O-CG 3.25Å; W255-Q259 PolarHBondContact O-N 2.83Å; K256-Q259 PolarHBondContact O-N 2.9Å; F257-Q259 VanDerWaalsContact C-N 3.32Å; F257-Q259 PolarHBondContact O-N 3.17Å; Q259-A262 PolarHBondContact O-N 3.3Å; Q259-A263 PolarHBondContact O-N 3.16Å
260	E	97.5	Very high	95.3	Very high	67 Å²	67	58.4 Å²	58.4	31%	0.313	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-49	175.5	-72.2	174.3	-171.9	0	0	110.8	R244 K256 F257 A262 A263 E264	R244-E260 IonicContact NH2-OE2 3.81Å; K256-E260 WeakPolarHBondContact CE-OE1 3.26Å; K256-E260 IonicContact NZ-OE1 2.87Å; K256-E260 PolarHBondContact NZ-OE1 2.76Å; K256-E260 WeakPolarHBondContact O-CG 3.3Å; K256-E260 PolarHBondContact O-N 3.24Å; F257-E260 PolarHBondContact O-N 3.02Å; E260-A262 PolarHBondContact O-N 3.06Å; E260-A263 PolarHBondContact O-N 3.09Å; E260-E264 WeakPolarHBondContact O-CG 3.47Å; E260-E264 PolarHBondContact O-N 3.37Å
261	V	97.4	Very high	95	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-40.3	178.2	170.9	0	0	0	0	111.8	L108 R244 F257 A263 E264 R265 I272 I275 F303	L108-V261 HydrophobicContact CD2-CB 4.2Å; L108-V261 HydrophobicContact CD2-CG1 3.37Å; L108-V261 HydrophobicContact CD2-CG2 3.72Å; R244-V261 HydrophobicContact CG-CG2 4.5Å; F257-V261 HydrophobicContact CD2-CG2 4.07Å; F257-V261 HydrophobicContact CE1-CG2 4.17Å; F257-V261 HydrophobicContact CE2-CG2 3.66Å; F257-V261 HydrophobicContact CG-CG2 4.49Å; F257-V261 HydrophobicContact CZ-CG2 3.72Å; F257-V261 WeakPolarHBondContact O-CB 3.38Å; F257-V261 WeakPolarHBondContact O-CG2 3.47Å; F257-V261 PolarHBondContact O-N 2.81Å; V261-A263 PolarHBondContact O-N 2.86Å; V261-E264 CarbonylContact O-C 3.53Å; V261-E264 PolarHBondContact O-N 2.99Å; V261-E264 VanDerWaalsContact O-N 3.08Å; V261-R265 PolarHBondContact O-N 2.84Å; V261-I272 HydrophobicContact CG1-CD1 3.33Å; V261-I275 HydrophobicContact CB-CD1 4.08Å; V261-I275 HydrophobicContact CG1-CD1 3.82Å; V261-I275 HydrophobicContact CG2-CD1 4.14Å; V261-F303 HydrophobicContact CB-CZ 4.49Å; V261-F303 HydrophobicContact CG1-CE2 4.48Å; V261-F303 HydrophobicContact CG1-CZ 3.85Å
262	A	91.2	Very high	94.9	Very high	47 Å²	47	57.7 Å²	57.7	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-58.5	-38.7	177.7	0	0	0	0	0	111.8	I258 Q259 E260 E264 F303	I258-A262 VanDerWaalsContact O-CB 3.29Å; I258-A262 WeakPolarHBondContact O-CB 3.46Å; I258-A262 PolarHBondContact O-N 3.1Å; Q259-A262 PolarHBondContact O-N 3.3Å; E260-A262 PolarHBondContact O-N 3.06Å; A262-E264 VanDerWaalsContact C-N 3.34Å; A262-F303 HydrophobicContact CB-CD1 3.93Å; A262-F303 HydrophobicContact CB-CE1 3.66Å; A262-F303 HydrophobicContact CB-CZ 4.39Å
263	A	91.6	Very high	94.5	Very high	83 Å²	83	55.3 Å²	55.3	69%	0.686	29%	0.294	S	S	*	.	H	α-helix	trans	-72.5	-26.1	177.1	0	0	0	0	0	113.4	Q259 E260 V261	Q259-A263 PolarHBondContact O-N 3.16Å; E260-A263 PolarHBondContact O-N 3.09Å; V261-A263 PolarHBondContact O-N 2.86Å
264	E	91.1	Very high	94.4	Very high	82 Å²	82	51.4 Å²	51.4	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-93.5	-14.4	-178.9	-68.7	169.8	-177.9	0	0	113.3	R244 E260 V261 A262 D266 N267 L268	R244-E264 IonicContact CZ-OE2 3.65Å; R244-E264 IonicContact NE-OE2 2.8Å; R244-E264 IonicContact NH2-OE1 3.88Å; R244-E264 IonicContact NH2-OE2 3.54Å; R244-E264 PolarHBondContact NH2-OE2 3.34Å; E260-E264 WeakPolarHBondContact O-CG 3.47Å; E260-E264 PolarHBondContact O-N 3.37Å; V261-E264 CarbonylContact O-C 3.53Å; V261-E264 PolarHBondContact O-N 2.99Å; V261-E264 VanDerWaalsContact O-N 3.08Å; A262-E264 VanDerWaalsContact C-N 3.34Å; E264-D266 VanDerWaalsContact C-N 3.31Å; E264-D266 PolarHBondContact O-N 2.76Å; E264-D266 VanDerWaalsContact O-N 3.15Å; E264-N267 WeakPolarHBondContact O-CB 3.43Å; E264-N267 PolarHBondContact O-N 2.95Å; E264-L268 PolarHBondContact O-N 2.68Å
265	R	88.5	Confident	94.4	Very high	70 Å²	70	51.4 Å²	51.4	26%	0.264	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-47.9	-46.4	-170.2	175.2	179.7	-176.5	-160.3	1.2	113.9	K169 V261 N267 L268 I272	K169-R265 PolarHBondContact NZ-O 3.42Å; V261-R265 PolarHBondContact O-N 2.84Å; R265-N267 PolarHBondContact O-N 3.11Å; R265-L268 WeakPolarHBondContact O-CB 3.3Å; R265-L268 PolarHBondContact O-N 3.4Å; R265-I272 HydrophobicContact CB-CD1 4.44Å; R265-I272 HydrophobicContact CB-CG1 4.47Å; R265-I272 HydrophobicContact CG-CD1 4.29Å; R265-I272 HydrophobicContact CG-CG1 3.8Å; R265-I272 PolarHBondContact NE-O 3.43Å; R265-I272 PolarHBondContact NH2-O 2.89Å
266	D	86.1	Confident	94.4	Very high	136 Å²	136	50 Å²	50	73%	0.727	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-67.8	-24.9	-176.1	-67.8	-18.7	0	0	0	112.5	K169 E264	K169-D266 PolarHBondContact NZ-O 3.24Å; E264-D266 VanDerWaalsContact C-N 3.31Å; E264-D266 PolarHBondContact O-N 2.76Å; E264-D266 VanDerWaalsContact O-N 3.15Å
267	N	92.1	Very high	94.4	Very high	140 Å²	140	44.3 Å²	44.3	75%	0.749	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-86.9	-10.2	179.6	-60.6	-39	0	0	0	113.5	E264 R265	E264-N267 WeakPolarHBondContact O-CB 3.43Å; E264-N267 PolarHBondContact O-N 2.95Å; R265-N267 PolarHBondContact O-N 3.11Å
268	L	94.7	Very high	94.4	Very high	30 Å²	30	44.7 Å²	44.7	16%	0.157	25%	0.246	C	C	.	.	S	Bend	trans	-67.3	144.2	175.8	-66	173.4	0	0	0	110.4	L108 K169 E264 R265 Y270 I272	L108-L268 HydrophobicContact CD1-CD1 4.02Å; K169-L268 VanDerWaalsContact CD-O 3.29Å; K169-L268 WeakPolarHBondContact CD-O 3.4Å; K169-L268 VanDerWaalsContact CE-O 3.26Å; K169-L268 WeakPolarHBondContact CE-O 3.48Å; K169-L268 PolarHBondContact NZ-O 3.43Å; E264-L268 PolarHBondContact O-N 2.68Å; R265-L268 WeakPolarHBondContact O-CB 3.3Å; R265-L268 PolarHBondContact O-N 3.4Å; L268-Y270 WeakPolarHBondContact CB-O 3.46Å; L268-Y270 HydrophobicContact CD1-CE2 4.36Å; L268-Y270 PolarHBondContact O-N 2.85Å; L268-Y270 VanDerWaalsContact O-N 3.11Å; L268-I272 HydrophobicContact CD1-CD1 3.57Å; L268-I272 HydrophobicContact CD1-CG1 3.97Å; L268-I272 HydrophobicContact CD1-CG2 4.12Å
269	P	94.6	Very high	94.4	Very high	83 Å²	83	44.5 Å²	44.5	54%	0.539	25%	0.245	S	C	.	.	S	Bend	trans	-73.6	1.3	179.4	28.9	-32.4	0	0	0	113.7	P168 K169	P168-P269 CarbonylContact C-O 3.51Å; P168-P269 WeakPolarHBondContact CA-O 3.43Å; K169-P269 PolarHBondContact N-O 3.41Å
270	Y	95	Very high	94.5	Very high	19 Å²	19	39.8 Å²	39.8	8%	0.075	22%	0.224	C	C	.	.	S	Bend	trans	-144.7	161.3	178.8	47.2	-98.1	0	0	0	109.9	L108 I110 Y166 F214 N242 L268 I272	L108-Y270 HydrophobicContact CD1-CE2 4.07Å; I110-Y270 HydrophobicContact CD1-CD2 4.16Å; I110-Y270 HydrophobicContact CD1-CE2 3.88Å; Y166-Y270 VanDerWaalsContact CD2-CB 3.45Å; Y166-Y270 HydrophobicContact CD2-CG 4.27Å; Y166-Y270 AromaticContact CE2-CD1 3.9Å; Y166-Y270 HydrophobicContact CE2-CD1 3.9Å; Y166-Y270 AromaticContact CE2-CG 3.85Å; Y166-Y270 HydrophobicContact CE2-CG 3.85Å; F214-Y270 AromaticContact CE2-CD1 3.87Å; F214-Y270 HydrophobicContact CE2-CD1 3.87Å; F214-Y270 HydrophobicContact CE2-CD2 4.35Å; F214-Y270 AromaticContact CE2-CE1 3.54Å; F214-Y270 HydrophobicContact CE2-CE1 3.54Å; F214-Y270 HydrophobicContact CE2-CE2 4.03Å; F214-Y270 HydrophobicContact CE2-CG 4.29Å; F214-Y270 AromaticContact CE2-CZ 3.63Å; F214-Y270 HydrophobicContact CZ-CD1 4.38Å; F214-Y270 AromaticContact CZ-CE1 3.75Å; F214-Y270 HydrophobicContact CZ-CE1 3.75Å; N242-Y270 PolarHBondContact ND2-OH 3.31Å; L268-Y270 WeakPolarHBondContact CB-O 3.46Å; L268-Y270 HydrophobicContact CD1-CE2 4.36Å; L268-Y270 PolarHBondContact O-N 2.85Å; L268-Y270 VanDerWaalsContact O-N 3.11Å; Y270-I272 HydrophobicContact CD2-CG2 3.91Å; Y270-I272 HydrophobicContact CE2-CG2 3.89Å
271	D	92.4	Very high	94.5	Very high	36 Å²	36	38 Å²	38	19%	0.193	22%	0.218	C	C	.	.			trans	-85.6	142.5	178.6	-72.9	-17	0	0	0	111.7	D111 K169 P190	D111-D271 HydrophobicContact CB-CB 4.1Å; D111-D271 PolarHBondContact N-O 3.36Å; K169-D271 WeakPolarHBondContact CE-OD1 3.34Å; K169-D271 IonicContact NZ-OD1 2.65Å; P190-D271 VanDerWaalsContact CD-OD2 3.26Å; P190-D271 WeakPolarHBondContact CD-OD2 3.41Å; P190-D271 WeakPolarHBondContact CG-OD2 3.36Å
272	I	94.4	Very high	94.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.2	171.1	63.3	169.2	0	0	0	107.9	L108 K109 I110 V261 R265 L268 Y270 F303	L108-I272 HydrophobicContact CB-CG2 4.06Å; L108-I272 HydrophobicContact CD1-CG2 4.26Å; L108-I272 HydrophobicContact CD2-CD1 4.01Å; K109-I272 CarbonylContact O-C 3.57Å; K109-I272 WeakPolarHBondContact O-CA 3.2Å; K109-I272 VanDerWaalsContact O-CB 3.3Å; K109-I272 WeakPolarHBondContact O-CB 3.41Å; I110-I272 HydrophobicContact CD1-CG2 4.05Å; V261-I272 HydrophobicContact CG1-CD1 3.33Å; R265-I272 HydrophobicContact CB-CD1 4.44Å; R265-I272 HydrophobicContact CB-CG1 4.47Å; R265-I272 HydrophobicContact CG-CD1 4.29Å; R265-I272 HydrophobicContact CG-CG1 3.8Å; R265-I272 PolarHBondContact NE-O 3.43Å; R265-I272 PolarHBondContact NH2-O 2.89Å; L268-I272 HydrophobicContact CD1-CD1 3.57Å; L268-I272 HydrophobicContact CD1-CG1 3.97Å; L268-I272 HydrophobicContact CD1-CG2 4.12Å; Y270-I272 HydrophobicContact CD2-CG2 3.91Å; Y270-I272 HydrophobicContact CE2-CG2 3.89Å; I272-F303 HydrophobicContact CD1-CE2 3.74Å; I272-F303 HydrophobicContact CD1-CZ 4.25Å; I272-F303 HydrophobicContact CG1-CE2 4.03Å
273	D	90.9	Very high	94.4	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	5.2	179.1	67.8	0.1	0	0	0	112.9	K109 D111 K302 F303	K109-D273 WeakPolarHBondContact CB-OD1 3.08Å; K109-D273 WeakPolarHBondContact CD-OD1 3.35Å; K109-D273 WeakPolarHBondContact CE-OD1 3.11Å; K109-D273 WeakPolarHBondContact CG-OD1 3.4Å; K109-D273 IonicContact NZ-OD1 2.79Å; K109-D273 PolarHBondContact NZ-OD1 2.82Å; K109-D273 IonicContact NZ-OD2 2.63Å; K109-D273 PolarHBondContact NZ-OD2 3.24Å; K109-D273 PolarHBondContact O-N 3.5Å; D111-D273 HydrophobicContact CB-CB 4.42Å; D273-K302 VanDerWaalsContact CG-NZ 3.31Å; D273-K302 WeakPolarHBondContact O-CD 3.3Å; D273-K302 IonicContact OD1-NZ 3.8Å; D273-K302 IonicContact OD2-NZ 3.65Å; D273-K302 PolarHBondContact OD2-NZ 2.61Å; D273-F303 PolarHBondContact O-N 2.82Å; D273-F303 VanDerWaalsContact O-N 3.16Å
274	G	95.3	Very high	94.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-162.9	-177.3	0	0	0	0	0	114.5	K109 Y301 F303	K109-G274 VanDerWaalsContact CB-C 3.41Å; K109-G274 VanDerWaalsContact CB-O 3.26Å; K109-G274 WeakPolarHBondContact CB-O 3.47Å; K109-G274 PolarHBondContact N-O 2.93Å; G274-Y301 CarbonylContact C-O 3.53Å; G274-Y301 WeakPolarHBondContact CA-O 3.48Å; G274-F303 VanDerWaalsContact CA-CE2 3.45Å
275	I	98.5	Very high	94.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131.6	172.7	-62.8	-58.1	0	0	0	108.9	A106 E107 L108 F257 I258 V261 I277 A300 Y301 F303	A106-I275 HydrophobicContact CB-CG2 3.97Å; E107-I275 CarbonylContact O-C 3.42Å; E107-I275 WeakPolarHBondContact O-CA 3.47Å; E107-I275 WeakPolarHBondContact O-CG2 3.28Å; L108-I275 HydrophobicContact CD2-CD1 3.62Å; F257-I275 HydrophobicContact CD1-CD1 4.37Å; F257-I275 HydrophobicContact CD1-CG2 4.33Å; F257-I275 HydrophobicContact CE1-CD1 3.81Å; F257-I275 HydrophobicContact CE1-CG1 4.45Å; F257-I275 HydrophobicContact CE1-CG2 4.17Å; F257-I275 HydrophobicContact CZ-CD1 4.48Å; I258-I275 HydrophobicContact CB-CG1 4.42Å; I258-I275 HydrophobicContact CG1-CB 3.92Å; I258-I275 HydrophobicContact CG1-CG1 3.66Å; I258-I275 HydrophobicContact CG1-CG2 4.21Å; V261-I275 HydrophobicContact CB-CD1 4.08Å; V261-I275 HydrophobicContact CG1-CD1 3.82Å; V261-I275 HydrophobicContact CG2-CD1 4.14Å; I275-I277 HydrophobicContact CG2-CG1 4.05Å; I275-A300 CarbonylContact O-C 3.48Å; I275-A300 WeakPolarHBondContact O-CA 3.42Å; I275-Y301 PolarHBondContact N-O 2.92Å; I275-Y301 PolarHBondContact O-N 3.14Å; I275-F303 HydrophobicContact CD1-CZ 4.38Å; I275-F303 HydrophobicContact CG1-CZ 4.18Å
276	V	98.6	Very high	94.9	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.5	170.4	179	0	0	0	0	108.8	L79 A106 E107 K109 K278	L79-V276 HydrophobicContact CD1-CB 4.35Å; L79-V276 HydrophobicContact CD1-CG1 3.61Å; L79-V276 HydrophobicContact CD1-CG2 3.83Å; A106-V276 VanDerWaalsContact CA-O 3.31Å; A106-V276 WeakPolarHBondContact CA-O 3.35Å; E107-V276 HydrophobicContact CG-CB 4.05Å; E107-V276 PolarHBondContact N-O 3.16Å; E107-V276 PolarHBondContact O-N 2.8Å; K109-V276 HydrophobicContact CB-CG2 3.74Å; K109-V276 HydrophobicContact CD-CG2 4.05Å; K109-V276 HydrophobicContact CG-CG2 3.62Å; V276-K278 HydrophobicContact CG1-CD 4.31Å; V276-K278 HydrophobicContact CG1-CG 3.95Å
277	I	98.8	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.9	178.1	-56	157.6	0	0	0	107.5	L88 F91 Y104 A106 I254 I258 I275 A298 I299	L88-I277 HydrophobicContact CD1-CD1 4.04Å; L88-I277 HydrophobicContact CD2-CD1 3.61Å; L88-I277 HydrophobicContact CG-CD1 4.42Å; F91-I277 HydrophobicContact CE1-CG2 4.23Å; Y104-I277 HydrophobicContact CD1-CG2 4Å; Y104-I277 HydrophobicContact CG-CG2 4.06Å; A106-I277 HydrophobicContact CB-CG1 4.3Å; I254-I277 HydrophobicContact CD1-CG2 4.04Å; I254-I277 HydrophobicContact CG2-CD1 3.59Å; I254-I277 HydrophobicContact CG2-CG1 3.82Å; I258-I277 HydrophobicContact CD1-CD1 4.4Å; I275-I277 HydrophobicContact CG2-CG1 4.05Å; I277-A298 CarbonylContact O-C 3.56Å; I277-A298 VanDerWaalsContact O-CA 3.23Å; I277-A298 WeakPolarHBondContact O-CA 3.42Å; I277-I299 HydrophobicContact CB-CG2 4Å; I277-I299 HydrophobicContact CD1-CG2 4.17Å; I277-I299 PolarHBondContact N-O 2.77Å; I277-I299 PolarHBondContact O-N 2.81Å
278	K	98.5	Very high	95.3	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.5	-179.7	-62.7	169.5	178.5	167.6	0	109.4	Y104 M105 E107 Y216 Q227 V276 N280 W297 A298	Y104-K278 CarbonylContact C-O 3.57Å; Y104-K278 WeakPolarHBondContact CA-O 3.5Å; Y104-K278 WeakPolarHBondContact CB-O 3.32Å; M105-K278 HydrophobicContact CE-CD 4.38Å; M105-K278 PolarHBondContact N-O 2.9Å; M105-K278 PolarHBondContact O-N 3.07Å; E107-K278 VanDerWaalsContact OE1-CE 3.25Å; E107-K278 WeakPolarHBondContact OE1-CE 3.36Å; E107-K278 IonicContact OE1-NZ 3.18Å; E107-K278 PolarHBondContact OE1-NZ 3.18Å; Y216-K278 PolarHBondContact O-NZ 3.09Å; Q227-K278 HydrophobicContact CG-CB 4.4Å; Q227-K278 HydrophobicContact CG-CD 3.86Å; Q227-K278 VanDerWaalsContact NE2-NZ 3.19Å; V276-K278 HydrophobicContact CG1-CD 4.31Å; V276-K278 HydrophobicContact CG1-CG 3.95Å; K278-N280 PolarHBondContact O-N 3.48Å; K278-W297 CarbonylContact C-O 3.59Å; K278-W297 HydrophobicContact CB-CE3 4.45Å; K278-W297 HydrophobicContact CB-CZ3 4.42Å; K278-W297 HydrophobicContact CD-CZ3 4.32Å; K278-W297 HydrophobicContact CG-CZ3 4.09Å; K278-A298 HydrophobicContact CG-CB 3.93Å
279	V	98.6	Very high	95.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	123.7	164.2	174.8	0	0	0	0	107.9	V95 Y104 M284 Q285 L288 W297	V95-V279 HydrophobicContact CG1-CG2 3.66Å; V95-V279 HydrophobicContact CG2-CG2 4.05Å; Y104-V279 HydrophobicContact CD1-CG2 4.1Å; Y104-V279 HydrophobicContact CE1-CG2 3.81Å; V279-M284 HydrophobicContact CG1-CB 3.73Å; V279-M284 HydrophobicContact CG1-SD 4.19Å; V279-Q285 HydrophobicContact CB-CG 4.35Å; V279-Q285 PolarHBondContact O-NE2 2.75Å; V279-L288 HydrophobicContact CG2-CD1 3.86Å; V279-W297 HydrophobicContact CB-CB 4.13Å; V279-W297 HydrophobicContact CG2-CB 4.07Å; V279-W297 WeakPolarHBondContact CG2-O 3.41Å; V279-W297 PolarHBondContact N-O 2.84Å
280	N	98.4	Very high	94.9	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.064	18%	0.18	C	C	.	.	S	Bend	trans	-72.2	-34.6	-169.1	-170.6	41	0	0	0	112	S103 M105 T226 Q227 N228 T247 K278 L282	S103-N280 PolarHBondContact O-N 2.94Å; M105-N280 HydrophobicContact CB-CB 4.47Å; T226-N280 CarbonylContact C-O 3.55Å; T226-N280 WeakPolarHBondContact CA-O 3.49Å; T226-N280 WeakPolarHBondContact CB-O 3.36Å; Q227-N280 PolarHBondContact N-O 3.33Å; Q227-N280 PolarHBondContact N-OD1 3.49Å; N228-N280 PolarHBondContact N-OD1 3.02Å; N228-N280 VanDerWaalsContact N-OD1 3.09Å; T247-N280 HydrophobicContact CG2-CB 4.49Å; K278-N280 PolarHBondContact O-N 3.48Å; N280-L282 PolarHBondContact O-N 3.15Å
281	S	97.6	Very high	94.4	Very high	28 Å²	28	36.1 Å²	36.1	20%	0.196	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-74.6	121.6	177.9	173.4	0	0	0	0	111.3	A283 M284 Q285	S281-A283 VanDerWaalsContact C-N 3.35Å; S281-A283 PolarHBondContact O-N 3.01Å; S281-M284 PolarHBondContact O-N 3.11Å; S281-M284 PolarHBondContact OG-N 3.04Å; S281-Q285 WeakPolarHBondContact O-CG 3.47Å; S281-Q285 PolarHBondContact O-N 3.31Å; S281-Q285 VanDerWaalsContact O-N 3.11Å
282	L	94.3	Very high	93.7	Very high	31 Å²	31	41.1 Å²	41.1	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-34.4	179.6	-59.5	-173.1	0	0	0	112.4	T222 M224 T225 Q227 V230 N280 M284 Q285 E286	T222-L282 HydrophobicContact CG2-CD1 3.28Å; M224-L282 WeakPolarHBondContact O-CD1 3.47Å; T225-L282 PolarHBondContact O-N 3.31Å; Q227-L282 HydrophobicContact CB-CD2 4.18Å; V230-L282 HydrophobicContact CG2-CD1 3.83Å; N280-L282 PolarHBondContact O-N 3.15Å; L282-M284 VanDerWaalsContact C-N 3.27Å; L282-M284 PolarHBondContact O-N 3.14Å; L282-Q285 WeakPolarHBondContact O-CB 3.44Å; L282-Q285 PolarHBondContact O-N 2.8Å; L282-Q285 VanDerWaalsContact O-N 3.09Å; L282-E286 PolarHBondContact O-N 3.03Å
283	A	93.2	Very high	93	Very high	64 Å²	64	49.1 Å²	49.1	53%	0.529	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-37.4	173.9	0	0	0	0	0	111.7	S281 E286 E287	S281-A283 VanDerWaalsContact C-N 3.35Å; S281-A283 PolarHBondContact O-N 3.01Å; A283-E286 PolarHBondContact O-N 2.73Å; A283-E287 WeakPolarHBondContact O-CG 3.22Å; A283-E287 PolarHBondContact O-N 3.44Å
284	M	96.1	Very high	92.8	Very high	41 Å²	41	49.3 Å²	49.3	20%	0.202	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-32.9	174.2	-65	174.4	-176.5	0	0	111.8	F99 A102 V279 S281 L282 L288	F99-M284 HydrophobicContact CB-CE 4.39Å; F99-M284 HydrophobicContact CB-SD 4.02Å; F99-M284 HydrophobicContact CD1-CE 4.16Å; F99-M284 HydrophobicContact CD1-CG 3.79Å; F99-M284 HydrophobicContact CD1-SD 4.18Å; F99-M284 HydrophobicContact CD2-CB 4.32Å; F99-M284 HydrophobicContact CD2-CG 4.33Å; F99-M284 HydrophobicContact CE1-CG 4.01Å; F99-M284 HydrophobicContact CE2-CB 4.38Å; F99-M284 HydrophobicContact CG-CB 4.43Å; F99-M284 HydrophobicContact CG-CE 4.5Å; F99-M284 HydrophobicContact CG-CG 3.95Å; F99-M284 HydrophobicContact CG-SD 4.06Å; F99-M284 HydrophobicContact CZ-CG 4.39Å; A102-M284 HydrophobicContact CB-SD 4.28Å; V279-M284 HydrophobicContact CG1-CB 3.73Å; V279-M284 HydrophobicContact CG1-SD 4.19Å; S281-M284 PolarHBondContact O-N 3.11Å; S281-M284 PolarHBondContact OG-N 3.04Å; L282-M284 VanDerWaalsContact C-N 3.27Å; L282-M284 PolarHBondContact O-N 3.14Å; M284-L288 WeakPolarHBondContact O-CB 3.5Å; M284-L288 WeakPolarHBondContact O-CD1 3.44Å; M284-L288 VanDerWaalsContact O-CG 3.26Å; M284-L288 WeakPolarHBondContact O-CG 3.4Å; M284-L288 PolarHBondContact O-N 3.31Å
285	Q	94.5	Very high	92.8	Very high	18 Å²	18	49.6 Å²	49.6	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-43.8	174.5	-64.6	-178.1	12.3	0	0	111.4	V279 S281 L282 G289 W297	V279-Q285 HydrophobicContact CB-CG 4.35Å; V279-Q285 PolarHBondContact O-NE2 2.75Å; S281-Q285 WeakPolarHBondContact O-CG 3.47Å; S281-Q285 PolarHBondContact O-N 3.31Å; S281-Q285 VanDerWaalsContact O-N 3.11Å; L282-Q285 WeakPolarHBondContact O-CB 3.44Å; L282-Q285 PolarHBondContact O-N 2.8Å; L282-Q285 VanDerWaalsContact O-N 3.09Å; Q285-G289 PolarHBondContact O-N 3.05Å; Q285-W297 HydrophobicContact CB-CB 4.08Å; Q285-W297 HydrophobicContact CB-CD2 3.75Å; Q285-W297 HydrophobicContact CB-CE3 4.31Å; Q285-W297 HydrophobicContact CB-CG 3.6Å; Q285-W297 VanDerWaalsContact CD-CE3 3.41Å; Q285-W297 HydrophobicContact CG-CB 3.88Å; Q285-W297 HydrophobicContact CG-CD2 3.59Å; Q285-W297 HydrophobicContact CG-CE3 3.67Å; Q285-W297 HydrophobicContact CG-CG 3.68Å; Q285-W297 HydrophobicContact CG-CZ3 4.44Å
286	E	90.1	Very high	92.6	Very high	165 Å²	165	55.9 Å²	55.9	77%	0.771	29%	0.288	S	S	*	.	H	α-helix	trans	-61	-47	178.2	-172.1	172.9	-167.3	0	0	111.6	L282 A283 G289	L282-E286 PolarHBondContact O-N 3.03Å; A283-E286 PolarHBondContact O-N 2.73Å; E286-G289 PolarHBondContact O-N 2.77Å
287	E	93.3	Very high	92.5	Very high	149 Å²	149	56.1 Å²	56.1	70%	0.696	29%	0.287	S	S	*	.	H	α-helix	trans	-65.8	-43.1	178.7	-70	-74	-176.1	0	0	113	F99 A283 G289	F99-E287 HydrophobicContact CE2-CB 4.19Å; F99-E287 HydrophobicContact CZ-CB 3.67Å; F99-E287 HydrophobicContact CZ-CG 4.23Å; A283-E287 WeakPolarHBondContact O-CG 3.22Å; A283-E287 PolarHBondContact O-N 3.44Å; E287-G289 VanDerWaalsContact C-N 3.25Å; E287-G289 PolarHBondContact O-N 2.98Å
288	L	94.1	Very high	92.5	Very high	13 Å²	13	56.1 Å²	56.1	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-34.4	175.6	-76	166.9	0	0	0	111.6	V95 E98 F99 V279 M284 R296 W297	V95-L288 HydrophobicContact CG1-CD1 4.27Å; V95-L288 HydrophobicContact CG2-CD1 4.35Å; E98-L288 HydrophobicContact CB-CD2 4.5Å; E98-L288 WeakPolarHBondContact OE2-CD2 3.48Å; F99-L288 HydrophobicContact CD2-CD1 4.4Å; F99-L288 HydrophobicContact CD2-CD2 4.24Å; F99-L288 HydrophobicContact CD2-CG 4.15Å; F99-L288 HydrophobicContact CE2-CD2 4.14Å; F99-L288 HydrophobicContact CE2-CG 3.88Å; V279-L288 HydrophobicContact CG2-CD1 3.86Å; M284-L288 WeakPolarHBondContact O-CB 3.5Å; M284-L288 WeakPolarHBondContact O-CD1 3.44Å; M284-L288 VanDerWaalsContact O-CG 3.26Å; M284-L288 WeakPolarHBondContact O-CG 3.4Å; M284-L288 PolarHBondContact O-N 3.31Å; L288-R296 HydrophobicContact CB-CB 4.19Å; L288-R296 VanDerWaalsContact O-CD 3.28Å; L288-R296 WeakPolarHBondContact O-CD 3.32Å; L288-W297 HydrophobicContact CB-CB 4.11Å; L288-W297 HydrophobicContact CD1-CB 3.69Å
289	G	92.1	Very high	92.5	Very high	15 Å²	15	55.7 Å²	55.7	16%	0.155	29%	0.286	C	S	.	.			trans	59.6	-146.2	176.5	0	0	0	0	0	114.2	Q285 E286 E287 R296	Q285-G289 PolarHBondContact O-N 3.05Å; E286-G289 PolarHBondContact O-N 2.77Å; E287-G289 VanDerWaalsContact C-N 3.25Å; E287-G289 PolarHBondContact O-N 2.98Å; G289-R296 PolarHBondContact O-N 3.34Å
290	F	88.7	Confident	92.4	Very high	97 Å²	97	55.7 Å²	55.7	43%	0.425	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-126.3	150.9	-169.8	-60.8	-98.6	0	0	0	111.6	Y77 P295 W297	Y77-F290 HydrophobicContact CD1-CD1 4.2Å; Y77-F290 AromaticContact CD2-CD1 3.49Å; Y77-F290 HydrophobicContact CD2-CD1 3.49Å; Y77-F290 VanDerWaalsContact CD2-CD1 3.49Å; Y77-F290 AromaticContact CD2-CE1 3.33Å; Y77-F290 HydrophobicContact CD2-CE1 3.33Å; Y77-F290 HydrophobicContact CD2-CG 4.5Å; Y77-F290 HydrophobicContact CD2-CZ 4.23Å; Y77-F290 HydrophobicContact CE1-CD1 4.27Å; Y77-F290 AromaticContact CE2-CD1 3.58Å; Y77-F290 HydrophobicContact CE2-CD1 3.58Å; Y77-F290 AromaticContact CE2-CE1 3.61Å; Y77-F290 HydrophobicContact CE2-CE1 3.61Å; Y77-F290 HydrophobicContact CE2-CG 4.17Å; Y77-F290 HydrophobicContact CE2-CZ 4.22Å; Y77-F290 AromaticContact CG-CD1 3.82Å; Y77-F290 HydrophobicContact CG-CD1 3.82Å; Y77-F290 AromaticContact CG-CE1 3.99Å; Y77-F290 HydrophobicContact CG-CE1 3.99Å; Y77-F290 AromaticContact CZ-CD1 3.98Å; F290-P295 HydrophobicContact CD1-CB 3.84Å; F290-P295 HydrophobicContact CE1-CB 3.76Å; F290-W297 HydrophobicContact CE1-CZ2 4.27Å; F290-W297 HydrophobicContact CZ-CZ2 4.16Å; F290-W297 AromaticContact CZ-NE1 3.86Å
291	T	85.1	Confident	92.4	Very high	61 Å²	61	55.8 Å²	55.8	37%	0.374	29%	0.286	S	S	.	.			trans	-79.6	-177.7	154.9	68.9	0	0	0	0	109.4	K293 A294 R296	T291-K293 PolarHBondContact O-N 2.79Å; T291-K293 VanDerWaalsContact O-N 3.13Å; T291-K293 PolarHBondContact OG1-N 2.91Å; T291-A294 PolarHBondContact N-O 3.49Å; T291-A294 PolarHBondContact OG1-N 3.38Å; T291-A294 PolarHBondContact OG1-O 3.03Å; T291-R296 HydrophobicContact CG2-CG 3.9Å
292	V	77.8	Confident	92.1	Very high	141 Å²	141	55.2 Å²	55.2	86%	0.855	28%	0.279	S	S	*	.	S	Bend	trans	-57.9	-27.1	173.9	179.4	0	0	0	0	112.4
293	K	77.9	Confident	91.9	Very high	167 Å²	167	54.3 Å²	54.3	73%	0.726	27%	0.274	S	S	*	.	S	Bend	trans	-125.3	-20.8	-170	-64.4	-174.1	178.5	-178.6	0	115.6	T291	T291-K293 PolarHBondContact O-N 2.79Å; T291-K293 VanDerWaalsContact O-N 3.13Å; T291-K293 PolarHBondContact OG1-N 2.91Å
294	A	88.5	Confident	91.2	Very high	9 Å²	9	55.6 Å²	55.6	7%	0.074	28%	0.277	C	S	.	.	S	Bend	trans	-147.7	148	-170.5	0	0	0	0	0	112.5	S78 Q80 T291	S78-A294 VanDerWaalsContact O-CA 3.31Å; S78-A294 WeakPolarHBondContact O-CA 3.21Å; S78-A294 VanDerWaalsContact O-CB 3.27Å; S78-A294 WeakPolarHBondContact O-CB 3.35Å; Q80-A294 HydrophobicContact CB-CB 4.35Å; T291-A294 PolarHBondContact N-O 3.49Å; T291-A294 PolarHBondContact OG1-N 3.38Å; T291-A294 PolarHBondContact OG1-O 3.03Å
295	P	93.3	Very high	90.2	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.039	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-62	139.8	171.2	26.9	-34.1	0	0	0	111.1	S78 L79 F290 W297 A298	S78-P295 WeakPolarHBondContact O-CD 3.31Å; L79-P295 HydrophobicContact CD2-CG 3.69Å; F290-P295 HydrophobicContact CD1-CB 3.84Å; F290-P295 HydrophobicContact CE1-CB 3.76Å; P295-W297 VanDerWaalsContact C-N 3.27Å; P295-W297 HydrophobicContact CB-CD2 3.8Å; P295-W297 HydrophobicContact CB-CE3 4.47Å; P295-W297 HydrophobicContact CB-CG 4.14Å; P295-W297 HydrophobicContact CB-CH2 4.34Å; P295-W297 HydrophobicContact CB-CZ2 3.66Å; P295-W297 HydrophobicContact CG-CZ2 4.32Å; P295-A298 HydrophobicContact CG-CB 4.02Å
296	R	95.8	Very high	89.6	Confident	132 Å²	132	58 Å²	58	50%	0.498	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.5	175.3	-65.9	-164.8	-177.5	-152.2	-2.3	113.2	F91 L288 G289 T291	F91-R296 WeakPolarHBondContact CE2-O 3.27Å; L288-R296 HydrophobicContact CB-CB 4.19Å; L288-R296 VanDerWaalsContact O-CD 3.28Å; L288-R296 WeakPolarHBondContact O-CD 3.32Å; G289-R296 PolarHBondContact O-N 3.34Å; T291-R296 HydrophobicContact CG2-CG 3.9Å
297	W	96.6	Very high	89.6	Confident	17 Å²	17	54.7 Å²	54.7	6%	0.064	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.3	-175.9	51.8	-99.9	0	0	0	114	K278 V279 Q285 L288 F290 P295	K278-W297 CarbonylContact C-O 3.59Å; K278-W297 HydrophobicContact CB-CE3 4.45Å; K278-W297 HydrophobicContact CB-CZ3 4.42Å; K278-W297 HydrophobicContact CD-CZ3 4.32Å; K278-W297 HydrophobicContact CG-CZ3 4.09Å; V279-W297 HydrophobicContact CB-CB 4.13Å; V279-W297 HydrophobicContact CG2-CB 4.07Å; V279-W297 WeakPolarHBondContact CG2-O 3.41Å; V279-W297 PolarHBondContact N-O 2.84Å; Q285-W297 HydrophobicContact CB-CB 4.08Å; Q285-W297 HydrophobicContact CB-CD2 3.75Å; Q285-W297 HydrophobicContact CB-CE3 4.31Å; Q285-W297 HydrophobicContact CB-CG 3.6Å; Q285-W297 VanDerWaalsContact CD-CE3 3.41Å; Q285-W297 HydrophobicContact CG-CB 3.88Å; Q285-W297 HydrophobicContact CG-CD2 3.59Å; Q285-W297 HydrophobicContact CG-CE3 3.67Å; Q285-W297 HydrophobicContact CG-CG 3.68Å; Q285-W297 HydrophobicContact CG-CZ3 4.44Å; L288-W297 HydrophobicContact CB-CB 4.11Å; L288-W297 HydrophobicContact CD1-CB 3.69Å; F290-W297 HydrophobicContact CE1-CZ2 4.27Å; F290-W297 HydrophobicContact CZ-CZ2 4.16Å; F290-W297 AromaticContact CZ-NE1 3.86Å; P295-W297 VanDerWaalsContact C-N 3.27Å; P295-W297 HydrophobicContact CB-CD2 3.8Å; P295-W297 HydrophobicContact CB-CE3 4.47Å; P295-W297 HydrophobicContact CB-CG 4.14Å; P295-W297 HydrophobicContact CB-CH2 4.34Å; P295-W297 HydrophobicContact CB-CZ2 3.66Å; P295-W297 HydrophobicContact CG-CZ2 4.32Å
298	A	97.8	Very high	89.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.2	177	0	0	0	0	0	112.7	L79 I277 K278 P295	L79-A298 HydrophobicContact CD2-CB 3.75Å; I277-A298 CarbonylContact O-C 3.56Å; I277-A298 VanDerWaalsContact O-CA 3.23Å; I277-A298 WeakPolarHBondContact O-CA 3.42Å; K278-A298 HydrophobicContact CG-CB 3.93Å; P295-A298 HydrophobicContact CG-CB 4.02Å
299	I	98	Very high	89.7	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.5	177	-162.2	164.8	0	0	0	109.6	Q80 A82 L88 F91 I277	Q80-I299 HydrophobicContact CB-CG1 4.46Å; Q80-I299 VanDerWaalsContact O-CG1 3.28Å; Q80-I299 WeakPolarHBondContact O-CG1 3.27Å; A82-I299 HydrophobicContact CB-CD1 3.74Å; A82-I299 HydrophobicContact CB-CG1 4Å; L88-I299 HydrophobicContact CD2-CD1 4.43Å; L88-I299 HydrophobicContact CD2-CG2 3.88Å; F91-I299 HydrophobicContact CB-CD1 3.82Å; F91-I299 HydrophobicContact CB-CG2 4.4Å; F91-I299 HydrophobicContact CD1-CB 4.41Å; F91-I299 HydrophobicContact CD1-CG2 3.6Å; F91-I299 HydrophobicContact CD2-CB 3.94Å; F91-I299 HydrophobicContact CD2-CD1 4.16Å; F91-I299 HydrophobicContact CD2-CG2 4.04Å; F91-I299 HydrophobicContact CE1-CG2 3.76Å; F91-I299 HydrophobicContact CE2-CB 4.06Å; F91-I299 HydrophobicContact CE2-CG2 4.18Å; F91-I299 HydrophobicContact CG-CB 4.12Å; F91-I299 HydrophobicContact CG-CD1 4.07Å; F91-I299 HydrophobicContact CG-CG2 3.75Å; F91-I299 HydrophobicContact CZ-CB 4.36Å; F91-I299 HydrophobicContact CZ-CG2 4.05Å; I277-I299 HydrophobicContact CB-CG2 4Å; I277-I299 HydrophobicContact CD1-CG2 4.17Å; I277-I299 PolarHBondContact N-O 2.77Å; I277-I299 PolarHBondContact O-N 2.81Å
300	A	97.5	Very high	89.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	108.3	176.3	0	0	0	0	0	109.4	L79 Q80 D81 A82 K109 I275 K302	L79-A300 HydrophobicContact CB-CB 3.9Å; L79-A300 HydrophobicContact CD1-CB 4Å; Q80-A300 PolarHBondContact O-N 3.48Å; D81-A300 CarbonylContact C-O 3.55Å; D81-A300 WeakPolarHBondContact CA-O 3.15Å; A82-A300 PolarHBondContact N-O 2.8Å; K109-A300 HydrophobicContact CD-CB 3.9Å; I275-A300 CarbonylContact O-C 3.48Å; I275-A300 WeakPolarHBondContact O-CA 3.42Å; A300-K302 PolarHBondContact O-N 3.11Å
301	Y	97.3	Very high	90.3	Very high	15 Å²	15	54 Å²	54	6%	0.059	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.3	166.3	178.9	-100.3	0	0	0	109	A82 L88 W255 I258 G274 I275 F303	A82-Y301 CarbonylContact O-C 3.6Å; A82-Y301 WeakPolarHBondContact O-CA 3.21Å; L88-Y301 HydrophobicContact CD1-CD2 3.86Å; L88-Y301 HydrophobicContact CD1-CG 4.2Å; L88-Y301 HydrophobicContact CG-CD2 4.27Å; W255-Y301 HydrophobicContact CH2-CE2 4.02Å; W255-Y301 AromaticContact CH2-CZ 3.97Å; W255-Y301 HydrophobicContact CZ3-CD2 4.2Å; W255-Y301 AromaticContact CZ3-CE2 3.64Å; W255-Y301 HydrophobicContact CZ3-CE2 3.64Å; W255-Y301 AromaticContact CZ3-CZ 3.86Å; I258-Y301 HydrophobicContact CB-CD1 4.45Å; I258-Y301 HydrophobicContact CD1-CD1 3.98Å; I258-Y301 HydrophobicContact CD1-CD2 4.48Å; I258-Y301 HydrophobicContact CD1-CG 3.88Å; I258-Y301 HydrophobicContact CG1-CD1 4.11Å; I258-Y301 HydrophobicContact CG1-CG 4.48Å; I258-Y301 HydrophobicContact CG2-CD1 3.47Å; I258-Y301 VanDerWaalsContact CG2-CD1 3.47Å; I258-Y301 HydrophobicContact CG2-CE1 3.25Å; I258-Y301 HydrophobicContact CG2-CG 4.36Å; G274-Y301 CarbonylContact C-O 3.53Å; G274-Y301 WeakPolarHBondContact CA-O 3.48Å; I275-Y301 PolarHBondContact N-O 2.92Å; I275-Y301 PolarHBondContact O-N 3.14Å; Y301-F303 HydrophobicContact CD1-CD1 4.34Å; Y301-F303 HydrophobicContact CD1-CE1 4.4Å; Y301-F303 AromaticContact CE1-CD1 3.84Å; Y301-F303 HydrophobicContact CE1-CD1 3.84Å; Y301-F303 HydrophobicContact CE1-CE1 4.19Å
302	K	92.4	Very high	90.8	Very high	15 Å²	15	51.1 Å²	51.1	7%	0.065	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.4	176.4	-72.8	-64.5	-151.8	137	0	109.8	D81 A82 F83 K109 D273 A300 D370	D81-K302 HydrophobicContact CB-CG 4.26Å; A82-K302 PolarHBondContact O-N 2.88Å; F83-K302 HydrophobicContact CD1-CB 3.81Å; F83-K302 HydrophobicContact CE1-CB 3.57Å; F83-K302 HydrophobicContact CE1-CG 3.99Å; F83-K302 HydrophobicContact CZ-CB 4.43Å; F83-K302 HydrophobicContact CZ-CG 4.43Å; K109-K302 HydrophobicContact CD-CD 4.37Å; D273-K302 VanDerWaalsContact CG-NZ 3.31Å; D273-K302 WeakPolarHBondContact O-CD 3.3Å; D273-K302 IonicContact OD1-NZ 3.8Å; D273-K302 IonicContact OD2-NZ 3.65Å; D273-K302 PolarHBondContact OD2-NZ 2.61Å; A300-K302 PolarHBondContact O-N 3.11Å; K302-D370 IonicContact NZ-OD2 3.77Å; K302-D370 PolarHBondContact NZ-OD2 2.78Å
303	F	89.3	Confident	91.7	Very high	12 Å²	12	48.8 Å²	48.8	5%	0.053	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-61.7	147.9	173.2	-64.6	-54.2	0	0	0	109.8	I258 V261 A262 I272 D273 G274 I275 Y301 A305	I258-F303 HydrophobicContact CG2-CE1 4.15Å; V261-F303 HydrophobicContact CB-CZ 4.49Å; V261-F303 HydrophobicContact CG1-CE2 4.48Å; V261-F303 HydrophobicContact CG1-CZ 3.85Å; A262-F303 HydrophobicContact CB-CD1 3.93Å; A262-F303 HydrophobicContact CB-CE1 3.66Å; A262-F303 HydrophobicContact CB-CZ 4.39Å; I272-F303 HydrophobicContact CD1-CE2 3.74Å; I272-F303 HydrophobicContact CD1-CZ 4.25Å; I272-F303 HydrophobicContact CG1-CE2 4.03Å; D273-F303 PolarHBondContact O-N 2.82Å; D273-F303 VanDerWaalsContact O-N 3.16Å; G274-F303 VanDerWaalsContact CA-CE2 3.45Å; I275-F303 HydrophobicContact CD1-CZ 4.38Å; I275-F303 HydrophobicContact CG1-CZ 4.18Å; Y301-F303 HydrophobicContact CD1-CD1 4.34Å; Y301-F303 HydrophobicContact CD1-CE1 4.4Å; Y301-F303 AromaticContact CE1-CD1 3.84Å; Y301-F303 HydrophobicContact CE1-CD1 3.84Å; Y301-F303 HydrophobicContact CE1-CE1 4.19Å; F303-A305 PolarHBondContact O-N 3.17Å
304	P	78.8	Confident	92.5	Very high	91 Å²	91	43.1 Å²	43.1	59%	0.591	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-50.3	131.8	171.8	-25.1	33.7	0	0	0	109.7
305	A	76.1	Confident	92.8	Very high	25 Å²	25	43.7 Å²	43.7	21%	0.207	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-60.7	149.9	176.7	0	0	0	0	0	109.5	F303 E307 Y366	F303-A305 PolarHBondContact O-N 3.17Å; A305-E307 PolarHBondContact O-N 2.93Å; A305-Y366 HydrophobicContact CB-CD2 3.78Å; A305-Y366 HydrophobicContact CB-CG 4.37Å
306	E	81.4	Confident	92.9	Very high	84 Å²	84	46.2 Å²	46.2	39%	0.393	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-57.3	135.6	166.6	-171.1	178.9	-165.5	0	0	108.5	K308 L336 A337 Y366	E306-K308 WeakPolarHBondContact OE1-CE 3.45Å; E306-K308 IonicContact OE1-NZ 2.87Å; E306-K308 PolarHBondContact OE1-NZ 2.82Å; E306-L336 HydrophobicContact CB-CD1 3.97Å; E306-L336 HydrophobicContact CG-CD1 4Å; E306-L336 VanDerWaalsContact O-CD1 3.3Å; E306-L336 WeakPolarHBondContact O-CD1 3.18Å; E306-A337 WeakPolarHBondContact OE2-CA 3.44Å; E306-A337 PolarHBondContact OE2-N 3.07Å; E306-Y366 WeakPolarHBondContact O-CA 3.48Å; E306-Y366 WeakPolarHBondContact O-CB 3.5Å
307	E	89.8	Confident	93	Very high	96 Å²	96	42 Å²	42	45%	0.449	22%	0.216	S	C	.	.			trans	-116.2	131.5	179	-78.1	179.9	-159.3	0	0	108.7	A305 I364 V365 L376	A305-E307 PolarHBondContact O-N 2.93Å; E307-I364 HydrophobicContact CB-CG2 3.65Å; E307-I364 HydrophobicContact CG-CG2 3.72Å; E307-I364 WeakPolarHBondContact OE2-CG2 3.45Å; E307-V365 WeakPolarHBondContact CA-O 3.38Å; E307-L376 HydrophobicContact CG-CD2 4.31Å; E307-L376 VanDerWaalsContact OE1-CD2 3.22Å; E307-L376 WeakPolarHBondContact OE1-CD2 3.49Å
308	K	92.4	Very high	92.9	Very high	78 Å²	78	44.9 Å²	44.9	34%	0.339	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.4	176.1	-65	-69.6	-171.3	-152.3	0	111.4	E306 V334 Q335 L336 I364 V365	E306-K308 WeakPolarHBondContact OE1-CE 3.45Å; E306-K308 IonicContact OE1-NZ 2.87Å; E306-K308 PolarHBondContact OE1-NZ 2.82Å; K308-V334 HydrophobicContact CB-CG2 3.52Å; K308-V334 HydrophobicContact CG-CG2 4.07Å; K308-Q335 WeakPolarHBondContact CE-O 3.31Å; K308-Q335 WeakPolarHBondContact CG-O 3.45Å; K308-L336 HydrophobicContact CB-CD1 4.21Å; K308-L336 HydrophobicContact CG-CD1 3.73Å; K308-I364 CarbonylContact O-C 3.52Å; K308-I364 WeakPolarHBondContact O-CA 3.3Å; K308-V365 PolarHBondContact N-O 3.2Å; K308-V365 PolarHBondContact O-N 2.85Å
309	E	96.3	Very high	92.6	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	135	170.5	-68.3	-177.6	-176.1	0	0	111.2	T362 V363 I364 V379 K382	E309-T362 HydrophobicContact CB-CG2 3.87Å; E309-T362 HydrophobicContact CG-CG2 4.18Å; E309-V363 CarbonylContact C-O 3.53Å; E309-V363 VanDerWaalsContact CA-O 3.3Å; E309-V363 WeakPolarHBondContact CA-O 3.3Å; E309-I364 HydrophobicContact CG-CD1 3.51Å; E309-V379 HydrophobicContact CG-CG2 4.1Å; E309-K382 WeakPolarHBondContact OE2-CE 3.36Å; E309-K382 IonicContact OE2-NZ 2.73Å; E309-K382 PolarHBondContact OE2-NZ 3.22Å
310	A	97.3	Very high	92.2	Very high	3 Å²	3	46.6 Å²	46.6	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	152	167.6	0	0	0	0	0	110.2	L331 V334 T362 V363 V365	A310-L331 HydrophobicContact CB-CB 4.13Å; A310-L331 HydrophobicContact CB-CD1 4.37Å; A310-L331 HydrophobicContact CB-CD2 4.36Å; A310-V334 HydrophobicContact CB-CB 4.16Å; A310-V334 HydrophobicContact CB-CG1 3.94Å; A310-T362 WeakPolarHBondContact O-CA 3.36Å; A310-V363 PolarHBondContact N-O 2.71Å; A310-V363 WeakPolarHBondContact O-CG2 3.35Å; A310-V363 PolarHBondContact O-N 2.88Å; A310-V365 HydrophobicContact CB-CG2 3.94Å
311	E	96.8	Very high	91.5	Very high	91 Å²	91	54.9 Å²	54.9	43%	0.425	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	134.5	175.1	-171.6	-179.9	168.9	0	0	110.7	L313 L331 S332 D361	E311-L313 HydrophobicContact CG-CD2 4.41Å; E311-L313 PolarHBondContact O-N 2.77Å; E311-L331 CarbonylContact O-C 3.59Å; E311-L331 VanDerWaalsContact O-CA 3.23Å; E311-L331 WeakPolarHBondContact O-CA 3.33Å; E311-S332 PolarHBondContact N-OG 3.36Å; E311-S332 PolarHBondContact O-N 2.84Å; E311-D361 WeakPolarHBondContact CA-O 3.35Å
312	I	96.5	Very high	91	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	107.8	170.4	-62.2	177.2	0	0	0	109.1	V315 A329 L331 I357 I359 G360 D361 V363 M389	I312-V315 HydrophobicContact CG2-CG2 4.25Å; I312-A329 HydrophobicContact CG1-CB 4.33Å; I312-A329 HydrophobicContact CG2-CB 4.3Å; I312-L331 HydrophobicContact CG1-CD2 3.79Å; I312-I357 HydrophobicContact CD1-CG2 3.37Å; I312-I359 HydrophobicContact CG2-CD1 4.35Å; I312-G360 VanDerWaalsContact O-CA 3.27Å; I312-G360 WeakPolarHBondContact O-CA 3.38Å; I312-G360 PolarHBondContact O-N 2.82Å; I312-D361 PolarHBondContact N-O 3.37Å; I312-V363 HydrophobicContact CD1-CB 4.45Å; I312-V363 HydrophobicContact CD1-CG1 3.55Å; I312-V363 HydrophobicContact CD1-CG2 4.06Å; I312-V363 HydrophobicContact CG1-CG1 3.99Å; I312-V363 HydrophobicContact CG1-CG2 3.82Å; I312-M389 HydrophobicContact CG2-CE 4.4Å
313	L	95.6	Very high	90.9	Very high	93 Å²	93	57.5 Å²	57.5	49%	0.487	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-41.1	179.7	-55.7	179.1	0	0	0	112.2	E311 N330	E311-L313 HydrophobicContact CG-CD2 4.41Å; E311-L313 PolarHBondContact O-N 2.77Å; L313-N330 WeakPolarHBondContact CB-O 3.37Å; L313-N330 PolarHBondContact N-O 3.25Å
314	S	95.2	Very high	91.1	Very high	48 Å²	48	58.5 Å²	58.5	34%	0.336	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	173.4	178.2	55.9	0	0	0	0	110.6	N330	S314-N330 PolarHBondContact N-O 3.01Å; S314-N330 PolarHBondContact O-N 3.43Å; S314-N330 WeakPolarHBondContact OG-CB 3.45Å; S314-N330 PolarHBondContact OG-ND2 2.94Å
315	V	95.2	Very high	92	Very high	20 Å²	20	54.3 Å²	54.3	12%	0.121	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.9	172.9	173.7	0	0	0	0	109.6	I312 W317 P327 T328 L346 I359 M389	I312-V315 HydrophobicContact CG2-CG2 4.25Å; V315-W317 HydrophobicContact CG1-CD2 4.46Å; V315-W317 HydrophobicContact CG1-CZ2 4.28Å; V315-P327 HydrophobicContact CG1-CB 3.79Å; V315-T328 CarbonylContact C-O 3.58Å; V315-T328 WeakPolarHBondContact CA-O 3.45Å; V315-L346 HydrophobicContact CG1-CD1 4.17Å; V315-L346 HydrophobicContact CG2-CD1 3.6Å; V315-I359 HydrophobicContact CG2-CD1 4.23Å; V315-M389 HydrophobicContact CB-CE 4.29Å; V315-M389 HydrophobicContact CB-SD 3.83Å; V315-M389 HydrophobicContact CG2-CE 3.29Å; V315-M389 HydrophobicContact CG2-SD 3.48Å; V315-M389 WeakPolarHBondContact CG2-SD 3.32Å
316	D	95.8	Very high	92.9	Very high	60 Å²	60	55.5 Å²	55.5	32%	0.321	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.8	169.9	-62	-27.6	0	0	0	109.7	T328 N330 R343	D316-T328 PolarHBondContact N-O 3.46Å; D316-T328 PolarHBondContact O-N 3.16Å; D316-N330 PolarHBondContact OD1-ND2 2.82Å; D316-N330 PolarHBondContact OD2-ND2 3.07Å; D316-N330 VanDerWaalsContact OD2-ND2 3.12Å; D316-N330 PolarHBondContact OD2-OD1 2.74Å; D316-R343 IonicContact OD2-CZ 2.99Å; D316-R343 IonicContact OD2-NH1 2.78Å; D316-R343 PolarHBondContact OD2-NH1 2.78Å; D316-R343 IonicContact OD2-NH2 2.66Å; D316-R343 PolarHBondContact OD2-NH2 3.15Å
317	W	96	Very high	93.6	Very high	43 Å²	43	51.5 Å²	51.5	16%	0.163	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.4	175.2	-64	90	0	0	0	109.1	V315 V325 P327 V349 I352 M389 I391 P392 P396 L411	V315-W317 HydrophobicContact CG1-CD2 4.46Å; V315-W317 HydrophobicContact CG1-CZ2 4.28Å; W317-V325 HydrophobicContact CB-CG1 3.99Å; W317-V325 HydrophobicContact CE3-CG1 3.87Å; W317-P327 HydrophobicContact CD2-CB 4.28Å; W317-P327 HydrophobicContact CE3-CB 3.87Å; W317-P327 HydrophobicContact CE3-CG 4.44Å; W317-P327 HydrophobicContact CH2-CB 3.81Å; W317-P327 HydrophobicContact CH2-CG 4.23Å; W317-P327 HydrophobicContact CZ2-CB 4.2Å; W317-P327 HydrophobicContact CZ3-CB 3.64Å; W317-P327 HydrophobicContact CZ3-CG 3.9Å; W317-V349 HydrophobicContact CH2-CG1 3.8Å; W317-V349 HydrophobicContact CZ3-CG1 3.8Å; W317-I352 HydrophobicContact CH2-CD1 4Å; W317-I352 HydrophobicContact CZ2-CD1 4.43Å; W317-M389 HydrophobicContact CZ2-CG 4.45Å; W317-I391 HydrophobicContact CH2-CG1 4.46Å; W317-I391 HydrophobicContact CH2-CG2 4.38Å; W317-P392 HydrophobicContact CB-CG 4.39Å; W317-P392 VanDerWaalsContact CD2-CD 3.49Å; W317-P392 HydrophobicContact CD2-CG 3.52Å; W317-P392 HydrophobicContact CE3-CG 3.73Å; W317-P392 HydrophobicContact CG-CG 3.82Å; W317-P392 HydrophobicContact CH2-CG 4.5Å; W317-P392 HydrophobicContact CZ2-CG 4.34Å; W317-P392 HydrophobicContact CZ3-CG 4.21Å; W317-P396 HydrophobicContact CB-CG 3.96Å; W317-P396 VanDerWaalsContact O-CG 3.24Å; W317-P396 WeakPolarHBondContact O-CG 3.49Å; W317-L411 HydrophobicContact CZ3-CD2 4.28Å
318	T	94.5	Very high	93.9	Very high	78 Å²	78	48.1 Å²	48.1	48%	0.479	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.9	-178	-57.3	0	0	0	0	110.3	V325 T326	T318-V325 WeakPolarHBondContact O-CA 3.35Å; T318-T326 PolarHBondContact N-O 3.37Å; T318-T326 VanDerWaalsContact N-O 3.07Å; T318-T326 PolarHBondContact O-N 2.8Å
319	V	93.4	Very high	94.2	Very high	13 Å²	13	44.4 Å²	44.4	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	118.2	174.8	-175.7	0	0	0	0	109.4	V325 C395 P396 C413	V319-V325 HydrophobicContact CG2-CG1 4.43Å; V319-V325 HydrophobicContact CG2-CG2 4.01Å; V319-C395 VanDerWaalsContact CG2-SG 3.51Å; V319-P396 HydrophobicContact CG2-CG 3.73Å; V319-C413 HydrophobicContact CG1-CB 4.31Å
320	G	89.2	Confident	94.2	Very high	26 Å²	26	41.5 Å²	41.5	27%	0.268	22%	0.224	S	C	.	.			trans	-76.3	167.6	174.4	0	0	0	0	0	112.7	T322 G323 V324	G320-T322 PolarHBondContact O-N 2.9Å; G320-G323 PolarHBondContact O-N 2.79Å; G320-V324 PolarHBondContact N-O 2.83Å
321	R	82.9	Confident	94.3	Very high	173 Å²	173	41.6 Å²	41.6	65%	0.653	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.1	179.5	-71.6	-179.8	-70.4	169.9	-0.5	114.7	E424	R321-E424 HydrophobicContact CB-CB 4.06Å; R321-E424 HydrophobicContact CB-CG 4.48Å; R321-E424 WeakPolarHBondContact O-CB 3.45Å
322	T	85.6	Confident	94.3	Very high	85 Å²	85	38.9 Å²	38.9	52%	0.521	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12.5	178.9	58.3	0	0	0	0	113.2	G320 V324 R412	G320-T322 PolarHBondContact O-N 2.9Å; T322-V324 VanDerWaalsContact C-N 3.27Å; T322-V324 PolarHBondContact O-N 2.7Å; T322-R412 PolarHBondContact O-NH1 3.31Å
323	G	90.8	Very high	94.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	81.9	-6.9	180	0	0	0	0	0	115.2	G320 V325 R412 C413	G320-G323 PolarHBondContact O-N 2.79Å; G323-V325 PolarHBondContact O-N 3.09Å; G323-R412 CarbonylContact O-C 3.54Å; G323-R412 VanDerWaalsContact O-CA 3.29Å; G323-R412 WeakPolarHBondContact O-CA 3.26Å; G323-C413 PolarHBondContact O-N 3.24Å
324	V	94.4	Very high	94.3	Very high	34 Å²	34	40 Å²	40	21%	0.206	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-59.7	127.3	174.8	179.6	0	0	0	0	109.8	G320 T322 A410	G320-V324 PolarHBondContact N-O 2.83Å; T322-V324 VanDerWaalsContact C-N 3.27Å; T322-V324 PolarHBondContact O-N 2.7Å; V324-A410 HydrophobicContact CG1-CB 4.33Å; V324-A410 HydrophobicContact CG2-CB 4.48Å
325	V	96.3	Very high	94	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	107.8	174.3	-167.9	0	0	0	0	108.1	W317 T318 V319 G323 P396 L402 L411	W317-V325 HydrophobicContact CB-CG1 3.99Å; W317-V325 HydrophobicContact CE3-CG1 3.87Å; T318-V325 WeakPolarHBondContact O-CA 3.35Å; V319-V325 HydrophobicContact CG2-CG1 4.43Å; V319-V325 HydrophobicContact CG2-CG2 4.01Å; G323-V325 PolarHBondContact O-N 3.09Å; V325-P396 HydrophobicContact CG1-CG 4.31Å; V325-L402 HydrophobicContact CG1-CD1 4.49Å; V325-L402 HydrophobicContact CG2-CD1 3.95Å; V325-L402 HydrophobicContact CG2-CD2 3.6Å; V325-L402 HydrophobicContact CG2-CG 4.44Å; V325-L411 HydrophobicContact CB-CB 4.43Å; V325-L411 HydrophobicContact CB-CD2 4.32Å; V325-L411 HydrophobicContact CB-CG 4.37Å; V325-L411 PolarHBondContact N-O 3.16Å
326	T	95.4	Very high	93.4	Very high	49 Å²	49	42.2 Å²	42.2	30%	0.301	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.2	-175.3	-58.1	0	0	0	0	110.7	T318	T318-T326 PolarHBondContact N-O 3.37Å; T318-T326 VanDerWaalsContact N-O 3.07Å; T318-T326 PolarHBondContact O-N 2.8Å
327	P	96.4	Very high	92.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	130.9	172.2	28.5	-30.5	0	0	0	111.7	V315 W317 L346 I352	V315-P327 HydrophobicContact CG1-CB 3.79Å; W317-P327 HydrophobicContact CD2-CB 4.28Å; W317-P327 HydrophobicContact CE3-CB 3.87Å; W317-P327 HydrophobicContact CE3-CG 4.44Å; W317-P327 HydrophobicContact CH2-CB 3.81Å; W317-P327 HydrophobicContact CH2-CG 4.23Å; W317-P327 HydrophobicContact CZ2-CB 4.2Å; W317-P327 HydrophobicContact CZ3-CB 3.64Å; W317-P327 HydrophobicContact CZ3-CG 3.9Å; P327-L346 HydrophobicContact CB-CB 4.05Å; P327-L346 HydrophobicContact CB-CD1 4.29Å; P327-L346 HydrophobicContact CG-CB 3.92Å; P327-L346 PolarHBondContact O-N 2.96Å; P327-I352 HydrophobicContact CB-CD1 3.81Å; P327-I352 HydrophobicContact CG-CD1 3.76Å
328	T	96.7	Very high	91.6	Very high	26 Å²	26	42 Å²	42	16%	0.16	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.6	172.8	-56.1	0	0	0	0	109.7	V315 D316 R343 A344	V315-T328 CarbonylContact C-O 3.58Å; V315-T328 WeakPolarHBondContact CA-O 3.45Å; D316-T328 PolarHBondContact N-O 3.46Å; D316-T328 PolarHBondContact O-N 3.16Å; T328-R343 HydrophobicContact CG2-CB 4.17Å; T328-A344 CarbonylContact C-O 3.55Å
329	A	97.2	Very high	91	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.8	174.9	0	0	0	0	0	110.4	I312 L331 R343 A344 L346	I312-A329 HydrophobicContact CG1-CB 4.33Å; I312-A329 HydrophobicContact CG2-CB 4.3Å; A329-L331 HydrophobicContact CB-CD2 4Å; A329-L331 HydrophobicContact CB-CG 4.43Å; A329-R343 CarbonylContact O-C 3.51Å; A329-R343 WeakPolarHBondContact O-CA 3.31Å; A329-A344 PolarHBondContact N-O 2.92Å; A329-A344 PolarHBondContact O-N 3.15Å; A329-L346 HydrophobicContact CB-CD1 4.1Å; A329-L346 HydrophobicContact CB-CD2 4.04Å; A329-L346 HydrophobicContact CB-CG 3.97Å
330	N	97.9	Very high	90.8	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.144	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.9	161.7	-66.2	-52.7	0	0	0	107.9	L313 S314 D316 S342 R343	L313-N330 WeakPolarHBondContact CB-O 3.37Å; L313-N330 PolarHBondContact N-O 3.25Å; S314-N330 PolarHBondContact N-O 3.01Å; S314-N330 PolarHBondContact O-N 3.43Å; S314-N330 WeakPolarHBondContact OG-CB 3.45Å; S314-N330 PolarHBondContact OG-ND2 2.94Å; D316-N330 PolarHBondContact OD1-ND2 2.82Å; D316-N330 PolarHBondContact OD2-ND2 3.07Å; D316-N330 VanDerWaalsContact OD2-ND2 3.12Å; D316-N330 PolarHBondContact OD2-OD1 2.74Å; N330-S342 WeakPolarHBondContact CA-O 3.28Å; N330-R343 PolarHBondContact OD1-NH1 2.78Å
331	L	97.9	Very high	91	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	154.6	-171.4	-59.5	172.5	0	0	0	111.2	A310 E311 I312 A329 V341 S342 A344 V363 V365	A310-L331 HydrophobicContact CB-CB 4.13Å; A310-L331 HydrophobicContact CB-CD1 4.37Å; A310-L331 HydrophobicContact CB-CD2 4.36Å; E311-L331 CarbonylContact O-C 3.59Å; E311-L331 VanDerWaalsContact O-CA 3.23Å; E311-L331 WeakPolarHBondContact O-CA 3.33Å; I312-L331 HydrophobicContact CG1-CD2 3.79Å; A329-L331 HydrophobicContact CB-CD2 4Å; A329-L331 HydrophobicContact CB-CG 4.43Å; L331-V341 HydrophobicContact CD1-CG1 4.13Å; L331-S342 PolarHBondContact N-O 2.76Å; L331-A344 HydrophobicContact CD1-CB 3.58Å; L331-A344 HydrophobicContact CG-CB 4.39Å; L331-V363 HydrophobicContact CD2-CG2 4.2Å; L331-V365 HydrophobicContact CD1-CB 4.42Å; L331-V365 HydrophobicContact CD1-CG1 3.92Å; L331-V365 HydrophobicContact CD1-CG2 3.68Å; L331-V365 HydrophobicContact CD2-CG2 4.38Å
332	S	97.5	Very high	91.6	Very high	34 Å²	34	36.8 Å²	36.8	24%	0.238	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	129	158.6	63.1	0	0	0	0	108.7	E311 V334	E311-S332 PolarHBondContact N-OG 3.36Å; E311-S332 PolarHBondContact O-N 2.84Å; S332-V334 PolarHBondContact O-N 3Å; S332-V334 VanDerWaalsContact O-N 3.17Å
333	P	97	Very high	92.2	Very high	97 Å²	97	37.6 Å²	37.6	63%	0.63	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-53.2	123	-177.1	-27.9	34.7	0	0	0	112.4	T340	P333-T340 HydrophobicContact CB-CG2 3.72Å
334	V	94.3	Very high	92.4	Very high	19 Å²	19	37.7 Å²	37.7	12%	0.115	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.4	-179.2	67.8	0	0	0	0	110.7	K308 A310 S332 L336 T340 V341	K308-V334 HydrophobicContact CB-CG2 3.52Å; K308-V334 HydrophobicContact CG-CG2 4.07Å; A310-V334 HydrophobicContact CB-CB 4.16Å; A310-V334 HydrophobicContact CB-CG1 3.94Å; S332-V334 PolarHBondContact O-N 3Å; S332-V334 VanDerWaalsContact O-N 3.17Å; V334-L336 PolarHBondContact O-N 3.4Å; V334-T340 CarbonylContact O-C 3.55Å; V334-T340 WeakPolarHBondContact O-CA 3.27Å; V334-V341 HydrophobicContact CG1-CB 4.11Å; V334-V341 PolarHBondContact N-O 3.36Å; V334-V341 PolarHBondContact O-N 3.21Å
335	Q	89.1	Confident	92.4	Very high	115 Å²	115	37.5 Å²	37.5	54%	0.537	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.7	174	-70.4	-65.5	-4.5	0	0	109.7	K308 T339 T340	K308-Q335 WeakPolarHBondContact CE-O 3.31Å; K308-Q335 WeakPolarHBondContact CG-O 3.45Å; Q335-T339 PolarHBondContact OE1-O 3.21Å; Q335-T340 PolarHBondContact NE2-OG1 3.22Å
336	L	84.2	Confident	92.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	116.2	-176.9	-173.4	67.2	0	0	0	110	E306 K308 V334 G338 T339 V341 V365 K367	E306-L336 HydrophobicContact CB-CD1 3.97Å; E306-L336 HydrophobicContact CG-CD1 4Å; E306-L336 VanDerWaalsContact O-CD1 3.3Å; E306-L336 WeakPolarHBondContact O-CD1 3.18Å; K308-L336 HydrophobicContact CB-CD1 4.21Å; K308-L336 HydrophobicContact CG-CD1 3.73Å; V334-L336 PolarHBondContact O-N 3.4Å; L336-G338 PolarHBondContact O-N 2.99Å; L336-T339 PolarHBondContact N-O 3.19Å; L336-T339 PolarHBondContact O-N 2.66Å; L336-T339 PolarHBondContact O-OG1 3.01Å; L336-V341 HydrophobicContact CB-CB 4.44Å; L336-V341 HydrophobicContact CB-CG2 3.88Å; L336-V341 HydrophobicContact CD2-CG2 4.13Å; L336-V365 HydrophobicContact CD2-CG1 4.1Å; L336-K367 HydrophobicContact CD2-CG 3.82Å; L336-K367 HydrophobicContact CG-CG 4.24Å; L336-K367 VanDerWaalsContact O-CE 3.24Å; L336-K367 WeakPolarHBondContact O-CE 3.4Å; L336-K367 PolarHBondContact O-NZ 3.05Å
337	A	77.2	Confident	92.2	Very high	43 Å²	43	38.7 Å²	38.7	36%	0.355	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	56.6	-177.4	0	0	0	0	0	112.3	E306 T339 K367	E306-A337 WeakPolarHBondContact OE2-CA 3.44Å; E306-A337 PolarHBondContact OE2-N 3.07Å; A337-T339 VanDerWaalsContact C-N 3.26Å; A337-T339 PolarHBondContact O-N 3.19Å; A337-K367 HydrophobicContact CB-CD 4.2Å; A337-K367 PolarHBondContact O-NZ 2.67Å
338	G	76	Confident	92	Very high	55 Å²	55	40.1 Å²	40.1	57%	0.567	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	-4.3	175.4	0	0	0	0	0	116.7	L336	L336-G338 PolarHBondContact O-N 2.99Å
339	T	81	Confident	91.8	Very high	35 Å²	35	39.1 Å²	39.1	22%	0.215	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	147.1	178.3	60	0	0	0	0	111.8	A188 Q335 L336 A337 V341 K367	A188-T339 HydrophobicContact CB-CG2 3.35Å; Q335-T339 PolarHBondContact OE1-O 3.21Å; L336-T339 PolarHBondContact N-O 3.19Å; L336-T339 PolarHBondContact O-N 2.66Å; L336-T339 PolarHBondContact O-OG1 3.01Å; A337-T339 VanDerWaalsContact C-N 3.26Å; A337-T339 PolarHBondContact O-N 3.19Å; T339-V341 PolarHBondContact O-N 3.38Å; T339-K367 WeakPolarHBondContact OG1-CE 3.31Å; T339-K367 PolarHBondContact OG1-NZ 3.26Å
340	T	90.6	Very high	91.6	Very high	81 Å²	81	42.1 Å²	42.1	50%	0.497	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117.4	163.7	-51.2	0	0	0	0	110.4	P333 V334 Q335	P333-T340 HydrophobicContact CB-CG2 3.72Å; V334-T340 CarbonylContact O-C 3.55Å; V334-T340 WeakPolarHBondContact O-CA 3.27Å; Q335-T340 PolarHBondContact NE2-OG1 3.22Å
341	V	92.2	Very high	91.3	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.036	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.1	173.6	172.9	0	0	0	0	108.8	L331 V334 L336 T339 R343 V365 P373	L331-V341 HydrophobicContact CD1-CG1 4.13Å; V334-V341 HydrophobicContact CG1-CB 4.11Å; V334-V341 PolarHBondContact N-O 3.36Å; V334-V341 PolarHBondContact O-N 3.21Å; L336-V341 HydrophobicContact CB-CB 4.44Å; L336-V341 HydrophobicContact CB-CG2 3.88Å; L336-V341 HydrophobicContact CD2-CG2 4.13Å; T339-V341 PolarHBondContact O-N 3.38Å; V341-R343 WeakPolarHBondContact CG1-O 3.49Å; V341-V365 HydrophobicContact CG1-CG1 4.29Å; V341-P373 HydrophobicContact CB-CG 4.48Å; V341-P373 HydrophobicContact CG1-CB 3.54Å; V341-P373 HydrophobicContact CG1-CG 3.78Å; V341-P373 HydrophobicContact CG2-CB 4.26Å; V341-P373 HydrophobicContact CG2-CG 3.85Å
342	S	96.5	Very high	91.1	Very high	58 Å²	58	42.8 Å²	42.8	41%	0.406	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	-0.3	173.6	58.1	0	0	0	0	112.6	N330 L331	N330-S342 WeakPolarHBondContact CA-O 3.28Å; L331-S342 PolarHBondContact N-O 2.76Å
343	R	97.2	Very high	90.8	Very high	103 Å²	103	44.5 Å²	44.5	39%	0.389	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	138.9	178.2	-61.9	-178.5	71.3	92.8	-3.2	110.1	D316 T328 A329 N330 V341 P373	D316-R343 IonicContact OD2-CZ 2.99Å; D316-R343 IonicContact OD2-NH1 2.78Å; D316-R343 PolarHBondContact OD2-NH1 2.78Å; D316-R343 IonicContact OD2-NH2 2.66Å; D316-R343 PolarHBondContact OD2-NH2 3.15Å; T328-R343 HydrophobicContact CG2-CB 4.17Å; A329-R343 CarbonylContact O-C 3.51Å; A329-R343 WeakPolarHBondContact O-CA 3.31Å; N330-R343 PolarHBondContact OD1-NH1 2.78Å; V341-R343 WeakPolarHBondContact CG1-O 3.49Å; R343-P373 WeakPolarHBondContact O-CB 3.35Å
344	A	96	Very high	90.5	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.6	174.4	0	0	0	0	0	111.4	T328 A329 L331 V365 P373 V375	T328-A344 CarbonylContact C-O 3.55Å; A329-A344 PolarHBondContact N-O 2.92Å; A329-A344 PolarHBondContact O-N 3.15Å; L331-A344 HydrophobicContact CD1-CB 3.58Å; L331-A344 HydrophobicContact CG-CB 4.39Å; A344-V365 HydrophobicContact CB-CG1 4.12Å; A344-P373 CarbonylContact C-O 3.55Å; A344-P373 VanDerWaalsContact CA-O 3.31Å; A344-P373 WeakPolarHBondContact CA-O 3.39Å; A344-P373 HydrophobicContact CB-CB 4.14Å; A344-V375 HydrophobicContact CB-CG2 4.08Å
345	T	95	Very high	90.4	Very high	30 Å²	30	48.7 Å²	48.7	18%	0.184	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.9	173.7	-174.8	0	0	0	0	110.5	H347 I372 P373 A374 V375	T345-H347 PolarHBondContact OG1-N 3.05Å; T345-I372 HydrophobicContact CG2-CG2 4.36Å; T345-P373 PolarHBondContact N-O 2.96Å; T345-A374 HydrophobicContact CG2-CB 3.68Å; T345-V375 PolarHBondContact O-N 3.35Å
346	L	95.3	Very high	90.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.			trans	-101.7	8.6	166.8	-63.4	179.2	0	0	0	111.5	V315 P327 A329 N348 Y351 I352 I357 V375	V315-L346 HydrophobicContact CG1-CD1 4.17Å; V315-L346 HydrophobicContact CG2-CD1 3.6Å; P327-L346 HydrophobicContact CB-CB 4.05Å; P327-L346 HydrophobicContact CB-CD1 4.29Å; P327-L346 HydrophobicContact CG-CB 3.92Å; P327-L346 PolarHBondContact O-N 2.96Å; A329-L346 HydrophobicContact CB-CD1 4.1Å; A329-L346 HydrophobicContact CB-CD2 4.04Å; A329-L346 HydrophobicContact CB-CG 3.97Å; L346-N348 PolarHBondContact O-N 2.78Å; L346-Y351 WeakPolarHBondContact O-CB 3.24Å; L346-Y351 VanDerWaalsContact O-CD1 3.26Å; L346-Y351 WeakPolarHBondContact O-CD1 3.44Å; L346-I352 HydrophobicContact CB-CD1 4.1Å; L346-I352 HydrophobicContact CB-CG1 3.95Å; L346-I352 HydrophobicContact CD1-CD1 3.87Å; L346-I352 HydrophobicContact CD1-CG1 4.04Å; L346-I357 HydrophobicContact CD2-CD1 3.92Å; L346-I357 HydrophobicContact CD2-CG2 4.47Å; L346-V375 HydrophobicContact CD2-CB 3.81Å; L346-V375 HydrophobicContact CD2-CG1 4.41Å; L346-V375 HydrophobicContact CD2-CG2 3.57Å
347	H	90.2	Very high	91	Very high	77 Å²	77	46.1 Å²	46.1	36%	0.356	27%	0.266	S	S	.	.			trans	61.8	-65.6	-176.4	-59.2	-80	0	0	0	114.5	T345 Y351	T345-H347 PolarHBondContact OG1-N 3.05Å; H347-Y351 HydrophobicContact CB-CG 4.2Å
348	N	93.7	Very high	91.9	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.16	26%	0.26	C	S	.	.			trans	-166.8	179	-174.8	57.2	60	0	0	0	111.9	L346 D350 Y351 I352 V409	L346-N348 PolarHBondContact O-N 2.78Å; N348-D350 WeakPolarHBondContact OD1-CB 3.49Å; N348-D350 PolarHBondContact OD1-N 2.96Å; N348-D350 VanDerWaalsContact OD1-N 3.11Å; N348-Y351 PolarHBondContact O-N 3.22Å; N348-Y351 WeakPolarHBondContact OD1-CB 3.46Å; N348-Y351 PolarHBondContact OD1-N 3.34Å; N348-I352 WeakPolarHBondContact O-CG1 3.49Å; N348-I352 PolarHBondContact O-N 3.25Å; N348-V409 HydrophobicContact CB-CB 4.46Å; N348-V409 HydrophobicContact CB-CG2 4.38Å; N348-V409 VanDerWaalsContact CB-O 3.26Å; N348-V409 WeakPolarHBondContact CB-O 3.3Å; N348-V409 VanDerWaalsContact ND2-CG2 3.33Å; N348-V409 WeakPolarHBondContact ND2-CG2 3.5Å
349	V	93	Very high	92.7	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-35.5	-178.8	-69.5	0	0	0	0	113.1	W317 I352 A353 I391 L411	W317-V349 HydrophobicContact CH2-CG1 3.8Å; W317-V349 HydrophobicContact CZ3-CG1 3.8Å; V349-I352 WeakPolarHBondContact O-CB 3.5Å; V349-I352 PolarHBondContact O-N 2.87Å; V349-A353 PolarHBondContact O-N 3.25Å; V349-I391 HydrophobicContact CB-CD1 4.1Å; V349-I391 HydrophobicContact CG1-CD1 4.15Å; V349-I391 HydrophobicContact CG1-CG1 4.29Å; V349-I391 HydrophobicContact CG1-CG2 3.71Å; V349-L411 HydrophobicContact CG1-CB 4.05Å; V349-L411 HydrophobicContact CG1-CD2 4.01Å; V349-L411 HydrophobicContact CG2-CB 4.3Å
350	D	91.4	Very high	93.4	Very high	63 Å²	63	46.3 Å²	46.3	34%	0.337	25%	0.245	S	C	.	.	H	α-helix	trans	-67.7	-39.3	178.9	-74.7	0.9	0	0	0	111.5	N348 I352 A353 E354 H404 V409	N348-D350 WeakPolarHBondContact OD1-CB 3.49Å; N348-D350 PolarHBondContact OD1-N 2.96Å; N348-D350 VanDerWaalsContact OD1-N 3.11Å; D350-I352 VanDerWaalsContact C-N 3.32Å; D350-I352 PolarHBondContact O-N 2.97Å; D350-A353 PolarHBondContact O-N 2.81Å; D350-E354 VanDerWaalsContact O-CB 3.3Å; D350-E354 WeakPolarHBondContact O-CB 3.48Å; D350-E354 PolarHBondContact O-N 2.96Å; D350-H404 IonicContact OD1-CE1 2.63Å; D350-H404 PolarHBondContact OD1-CE1 3.5Å; D350-H404 IonicContact OD1-NE2 2.69Å; D350-H404 IonicContact OD2-CE1 3.12Å; D350-H404 IonicContact OD2-NE2 2.82Å; D350-V409 HydrophobicContact CB-CB 4.22Å; D350-V409 HydrophobicContact CB-CG1 4.25Å; D350-V409 WeakPolarHBondContact OD2-CA 3.11Å
351	Y	92.1	Very high	93.6	Very high	37 Å²	37	42.5 Å²	42.5	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-40.9	174.9	-170	-90.5	0	0	0	111.6	L346 H347 N348 A353 K355 I357 V375 L376	L346-Y351 WeakPolarHBondContact O-CB 3.24Å; L346-Y351 VanDerWaalsContact O-CD1 3.26Å; L346-Y351 WeakPolarHBondContact O-CD1 3.44Å; H347-Y351 HydrophobicContact CB-CG 4.2Å; N348-Y351 PolarHBondContact O-N 3.22Å; N348-Y351 WeakPolarHBondContact OD1-CB 3.46Å; N348-Y351 PolarHBondContact OD1-N 3.34Å; Y351-A353 VanDerWaalsContact C-N 3.34Å; Y351-K355 HydrophobicContact CD1-CG 4.37Å; Y351-K355 HydrophobicContact CE1-CG 3.96Å; Y351-K355 HydrophobicContact CE2-CG 4.41Å; Y351-K355 WeakPolarHBondContact O-CB 3.22Å; Y351-K355 WeakPolarHBondContact O-CG 3.45Å; Y351-K355 PolarHBondContact O-N 2.85Å; Y351-K355 VanDerWaalsContact O-N 3.09Å; Y351-I357 HydrophobicContact CD1-CD1 4.24Å; Y351-I357 HydrophobicContact CE1-CD1 4.12Å; Y351-V375 PolarHBondContact OH-O 2.88Å; Y351-L376 PolarHBondContact OH-O 3.01Å
352	I	93.8	Very high	93.9	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-44.6	174	-67.9	168.8	0	0	0	110.4	W317 P327 L346 N348 V349 D350 D356 I357 M389	W317-I352 HydrophobicContact CH2-CD1 4Å; W317-I352 HydrophobicContact CZ2-CD1 4.43Å; P327-I352 HydrophobicContact CB-CD1 3.81Å; P327-I352 HydrophobicContact CG-CD1 3.76Å; L346-I352 HydrophobicContact CB-CD1 4.1Å; L346-I352 HydrophobicContact CB-CG1 3.95Å; L346-I352 HydrophobicContact CD1-CD1 3.87Å; L346-I352 HydrophobicContact CD1-CG1 4.04Å; N348-I352 WeakPolarHBondContact O-CG1 3.49Å; N348-I352 PolarHBondContact O-N 3.25Å; V349-I352 WeakPolarHBondContact O-CB 3.5Å; V349-I352 PolarHBondContact O-N 2.87Å; D350-I352 VanDerWaalsContact C-N 3.32Å; D350-I352 PolarHBondContact O-N 2.97Å; I352-D356 CarbonylContact O-C 3.42Å; I352-D356 WeakPolarHBondContact O-CA 2.85Å; I352-D356 PolarHBondContact O-N 2.78Å; I352-D356 VanDerWaalsContact O-N 3.07Å; I352-I357 HydrophobicContact CG2-CB 4.23Å; I352-I357 PolarHBondContact O-N 3.31Å; I352-M389 HydrophobicContact CD1-CG 4.47Å; I352-M389 HydrophobicContact CG2-CB 3.82Å; I352-M389 HydrophobicContact CG2-CG 4.16Å
353	A	91.9	Very high	93.9	Very high	70 Å²	70	40.7 Å²	40.7	58%	0.579	21%	0.208	S	C	*	.	H	α-helix	trans	-69.2	-45.1	179.5	0	0	0	0	0	112.6	V349 D350 Y351 K355 D356	V349-A353 PolarHBondContact O-N 3.25Å; D350-A353 PolarHBondContact O-N 2.81Å; Y351-A353 VanDerWaalsContact C-N 3.34Å; A353-K355 VanDerWaalsContact C-N 3.29Å; A353-K355 PolarHBondContact O-N 2.84Å; A353-D356 PolarHBondContact O-N 2.92Å; A353-D356 VanDerWaalsContact O-N 3.1Å
354	E	90.6	Very high	93.8	Very high	138 Å²	138	36.6 Å²	36.6	65%	0.645	19%	0.193	S	C	*	.	H	α-helix	trans	-59.4	-40.4	179.3	-170.8	-156.1	130	0	0	111.4	D350	D350-E354 VanDerWaalsContact O-CB 3.3Å; D350-E354 WeakPolarHBondContact O-CB 3.48Å; D350-E354 PolarHBondContact O-N 2.96Å
355	K	90.5	Very high	93.8	Very high	66 Å²	66	36.5 Å²	36.5	29%	0.287	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.7	178.7	-60.7	-50.7	-171.5	-145.9	0	113.7	Y351 A353 I357	Y351-K355 HydrophobicContact CD1-CG 4.37Å; Y351-K355 HydrophobicContact CE1-CG 3.96Å; Y351-K355 HydrophobicContact CE2-CG 4.41Å; Y351-K355 WeakPolarHBondContact O-CB 3.22Å; Y351-K355 WeakPolarHBondContact O-CG 3.45Å; Y351-K355 PolarHBondContact O-N 2.85Å; Y351-K355 VanDerWaalsContact O-N 3.09Å; A353-K355 VanDerWaalsContact C-N 3.29Å; A353-K355 PolarHBondContact O-N 2.84Å; K355-I357 HydrophobicContact CB-CD1 3.81Å; K355-I357 HydrophobicContact CB-CG1 3.66Å; K355-I357 HydrophobicContact CG-CD1 4.45Å; K355-I357 PolarHBondContact O-N 2.94Å
356	D	93.7	Very high	93.5	Very high	61 Å²	61	37.7 Å²	37.7	33%	0.326	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	45.2	-173.2	-178.7	33.3	0	0	0	112	I352 A353 R358 R383	I352-D356 CarbonylContact O-C 3.42Å; I352-D356 WeakPolarHBondContact O-CA 2.85Å; I352-D356 PolarHBondContact O-N 2.78Å; I352-D356 VanDerWaalsContact O-N 3.07Å; A353-D356 PolarHBondContact O-N 2.92Å; A353-D356 VanDerWaalsContact O-N 3.1Å; D356-R358 WeakPolarHBondContact O-CG 3.08Å; D356-R358 IonicContact OD1-CZ 2.95Å; D356-R358 IonicContact OD1-NE 2.7Å; D356-R358 PolarHBondContact OD1-NE 3.42Å; D356-R358 IonicContact OD1-NH2 2.75Å; D356-R358 PolarHBondContact OD1-NH2 2.87Å; D356-R358 VanDerWaalsContact OD1-NH2 3.11Å; D356-R358 IonicContact OD2-CZ 3.4Å; D356-R358 IonicContact OD2-NE 2.98Å; D356-R358 PolarHBondContact OD2-NE 3.38Å; D356-R358 IonicContact OD2-NH2 2.92Å; D356-R358 PolarHBondContact OD2-NH2 3.01Å; D356-R383 PolarHBondContact O-NH2 2.77Å; D356-R383 IonicContact OD2-CZ 3.16Å; D356-R383 IonicContact OD2-NH1 2.65Å; D356-R383 PolarHBondContact OD2-NH1 3.23Å; D356-R383 IonicContact OD2-NH2 3.63Å
357	I	94	Very high	93.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.197	C	C	.	.			trans	-73	131.7	-175.4	-65.4	168.9	0	0	0	110.2	I312 L346 Y351 I352 K355 V375 V378 M389	I312-I357 HydrophobicContact CD1-CG2 3.37Å; L346-I357 HydrophobicContact CD2-CD1 3.92Å; L346-I357 HydrophobicContact CD2-CG2 4.47Å; Y351-I357 HydrophobicContact CD1-CD1 4.24Å; Y351-I357 HydrophobicContact CE1-CD1 4.12Å; I352-I357 HydrophobicContact CG2-CB 4.23Å; I352-I357 PolarHBondContact O-N 3.31Å; K355-I357 HydrophobicContact CB-CD1 3.81Å; K355-I357 HydrophobicContact CB-CG1 3.66Å; K355-I357 HydrophobicContact CG-CD1 4.45Å; K355-I357 PolarHBondContact O-N 2.94Å; I357-V375 HydrophobicContact CD1-CG1 3.9Å; I357-V378 HydrophobicContact CB-CG2 4.41Å; I357-V378 HydrophobicContact CG1-CG2 3.81Å; I357-M389 HydrophobicContact CG2-CE 4.5Å; I357-M389 WeakPolarHBondContact O-CB 3.46Å
358	R	95.5	Very high	92.3	Very high	63 Å²	63	36.4 Å²	36.4	24%	0.238	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.8	-176.9	-52.8	-164.5	-177.8	-179.5	7.2	112	D356 G360 D361 Q386 V387	D356-R358 WeakPolarHBondContact O-CG 3.08Å; D356-R358 IonicContact OD1-CZ 2.95Å; D356-R358 IonicContact OD1-NE 2.7Å; D356-R358 PolarHBondContact OD1-NE 3.42Å; D356-R358 IonicContact OD1-NH2 2.75Å; D356-R358 PolarHBondContact OD1-NH2 2.87Å; D356-R358 VanDerWaalsContact OD1-NH2 3.11Å; D356-R358 IonicContact OD2-CZ 3.4Å; D356-R358 IonicContact OD2-NE 2.98Å; D356-R358 PolarHBondContact OD2-NE 3.38Å; D356-R358 IonicContact OD2-NH2 2.92Å; D356-R358 PolarHBondContact OD2-NH2 3.01Å; R358-G360 PolarHBondContact O-N 3.46Å; R358-D361 WeakPolarHBondContact CA-OD2 3.39Å; R358-D361 WeakPolarHBondContact CB-OD2 3.5Å; R358-D361 PolarHBondContact N-OD2 3.34Å; R358-D361 WeakPolarHBondContact O-CB 3.5Å; R358-D361 PolarHBondContact O-N 2.97Å; R358-Q386 HydrophobicContact CB-CB 3.83Å; R358-Q386 VanDerWaalsContact CD-O 3.29Å; R358-Q386 WeakPolarHBondContact CD-O 3.21Å; R358-Q386 PolarHBondContact NH1-O 3.07Å; R358-V387 VanDerWaalsContact CB-O 3.28Å; R358-V387 WeakPolarHBondContact CB-O 3.49Å
359	I	93.3	Very high	91.1	Very high	59 Å²	59	37.1 Å²	37.1	30%	0.303	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.3	173	-68.6	-73.5	0	0	0	109	I312 V315 D361 Q386 V387 M389	I312-I359 HydrophobicContact CG2-CD1 4.35Å; V315-I359 HydrophobicContact CG2-CD1 4.23Å; I359-D361 VanDerWaalsContact C-N 3.33Å; I359-Q386 WeakPolarHBondContact O-CG 3.46Å; I359-V387 PolarHBondContact N-O 3.49Å; I359-M389 HydrophobicContact CD1-CE 3.33Å; I359-M389 HydrophobicContact CD1-SD 3.43Å; I359-M389 WeakPolarHBondContact CD1-SD 3.39Å; I359-M389 HydrophobicContact CG1-CE 3.55Å; I359-M389 HydrophobicContact CG1-SD 3.55Å; I359-M389 VanDerWaalsContact CG1-SD 3.55Å
360	G	94.3	Very high	89.9	Confident	15 Å²	15	38.9 Å²	38.9	16%	0.155	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	7.1	-175.7	0	0	0	0	0	114.4	I312 R358 Q386	I312-G360 VanDerWaalsContact O-CA 3.27Å; I312-G360 WeakPolarHBondContact O-CA 3.38Å; I312-G360 PolarHBondContact O-N 2.82Å; R358-G360 PolarHBondContact O-N 3.46Å; G360-Q386 VanDerWaalsContact C-CG 3.46Å; G360-Q386 WeakPolarHBondContact O-CG 2.98Å; G360-Q386 PolarHBondContact O-NE2 2.87Å
361	D	95.9	Very high	89	Confident	1 Å²	1	41 Å²	41	1%	0.005	23%	0.228	C	C	.	.			trans	-68.5	141.1	172.4	-85.6	-23.9	0	0	0	110.3	E311 I312 R358 I359 V363 V378 R383 Q386	E311-D361 WeakPolarHBondContact CA-O 3.35Å; I312-D361 PolarHBondContact N-O 3.37Å; R358-D361 WeakPolarHBondContact CA-OD2 3.39Å; R358-D361 WeakPolarHBondContact CB-OD2 3.5Å; R358-D361 PolarHBondContact N-OD2 3.34Å; R358-D361 WeakPolarHBondContact O-CB 3.5Å; R358-D361 PolarHBondContact O-N 2.97Å; I359-D361 VanDerWaalsContact C-N 3.33Å; D361-V363 HydrophobicContact CB-CG1 4Å; D361-V378 HydrophobicContact CB-CG1 3.87Å; D361-V378 HydrophobicContact CB-CG2 4.47Å; D361-R383 IonicContact OD1-CZ 2.78Å; D361-R383 IonicContact OD1-NE 3.78Å; D361-R383 PolarHBondContact OD1-NE 3.13Å; D361-R383 VanDerWaalsContact OD1-NE 3.1Å; D361-R383 IonicContact OD1-NH2 3.51Å; D361-R383 IonicContact OD2-CZ 2.64Å; D361-R383 IonicContact OD2-NE 3.92Å; D361-R383 IonicContact OD2-NH2 3.47Å; D361-R383 PolarHBondContact OD2-NH2 2.98Å; D361-Q386 WeakPolarHBondContact OD1-CG 3.16Å
362	T	97.1	Very high	88.6	Confident	26 Å²	26	44.1 Å²	44.1	16%	0.16	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.8	158.5	-55.9	0	0	0	0	108.1	E309 A310 V379 K382	E309-T362 HydrophobicContact CB-CG2 3.87Å; E309-T362 HydrophobicContact CG-CG2 4.18Å; A310-T362 WeakPolarHBondContact O-CA 3.36Å; T362-V379 HydrophobicContact CG2-CB 4.28Å; T362-V379 HydrophobicContact CG2-CG2 4.1Å; T362-V379 WeakPolarHBondContact O-CB 3.4Å; T362-V379 PolarHBondContact O-N 3.32Å; T362-K382 HydrophobicContact CG2-CD 3.9Å
363	V	96.6	Very high	88.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.1	-177.8	-60.2	0	0	0	0	111.2	E309 A310 I312 L331 D361 V365 V375 H377 V378	E309-V363 CarbonylContact C-O 3.53Å; E309-V363 VanDerWaalsContact CA-O 3.3Å; E309-V363 WeakPolarHBondContact CA-O 3.3Å; A310-V363 PolarHBondContact N-O 2.71Å; A310-V363 WeakPolarHBondContact O-CG2 3.35Å; A310-V363 PolarHBondContact O-N 2.88Å; I312-V363 HydrophobicContact CD1-CB 4.45Å; I312-V363 HydrophobicContact CD1-CG1 3.55Å; I312-V363 HydrophobicContact CD1-CG2 4.06Å; I312-V363 HydrophobicContact CG1-CG1 3.99Å; I312-V363 HydrophobicContact CG1-CG2 3.82Å; L331-V363 HydrophobicContact CD2-CG2 4.2Å; D361-V363 HydrophobicContact CB-CG1 4Å; V363-V365 HydrophobicContact CG2-CG2 3.82Å; V363-V375 HydrophobicContact CB-CG1 3.76Å; V363-V375 HydrophobicContact CG1-CG1 4.07Å; V363-V375 HydrophobicContact CG2-CG1 3.97Å; V363-V375 HydrophobicContact CG2-CG2 3.89Å; V363-H377 WeakPolarHBondContact CA-O 3.19Å; V363-V378 HydrophobicContact CG1-CG2 4.05Å
364	I	95.8	Very high	88.6	Confident	17 Å²	17	41.9 Å²	41.9	9%	0.087	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.1	168.2	-60.5	-61.3	0	0	0	108.9	E307 K308 E309 L376 H377 V379	E307-I364 HydrophobicContact CB-CG2 3.65Å; E307-I364 HydrophobicContact CG-CG2 3.72Å; E307-I364 WeakPolarHBondContact OE2-CG2 3.45Å; K308-I364 CarbonylContact O-C 3.52Å; K308-I364 WeakPolarHBondContact O-CA 3.3Å; E309-I364 HydrophobicContact CG-CD1 3.51Å; I364-L376 HydrophobicContact CB-CB 4.38Å; I364-L376 HydrophobicContact CG2-CB 4.22Å; I364-L376 HydrophobicContact CG2-CD2 4.16Å; I364-L376 PolarHBondContact O-N 3.36Å; I364-H377 WeakPolarHBondContact CG1-NE2 3.35Å; I364-H377 PolarHBondContact N-O 3.15Å; I364-V379 HydrophobicContact CD1-CG2 3.81Å; I364-V379 HydrophobicContact CG1-CG2 3.85Å
365	V	95	Very high	88.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137	-179.4	-172.4	0	0	0	0	108.8	E307 K308 A310 L331 L336 V341 A344 V363 P373 A374	E307-V365 WeakPolarHBondContact CA-O 3.38Å; K308-V365 PolarHBondContact N-O 3.2Å; K308-V365 PolarHBondContact O-N 2.85Å; A310-V365 HydrophobicContact CB-CG2 3.94Å; L331-V365 HydrophobicContact CD1-CB 4.42Å; L331-V365 HydrophobicContact CD1-CG1 3.92Å; L331-V365 HydrophobicContact CD1-CG2 3.68Å; L331-V365 HydrophobicContact CD2-CG2 4.38Å; L336-V365 HydrophobicContact CD2-CG1 4.1Å; V341-V365 HydrophobicContact CG1-CG1 4.29Å; A344-V365 HydrophobicContact CB-CG1 4.12Å; V363-V365 HydrophobicContact CG2-CG2 3.82Å; V365-P373 HydrophobicContact CG1-CB 4.42Å; V365-A374 WeakPolarHBondContact CA-O 3.3Å
366	Y	90.7	Very high	88.8	Confident	55 Å²	55	34.4 Å²	34.4	22%	0.216	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	170.8	178	77.8	-71.3	0	0	0	109.9	A305 E306 A368 P373 A374 L376	A305-Y366 HydrophobicContact CB-CD2 3.78Å; A305-Y366 HydrophobicContact CB-CG 4.37Å; E306-Y366 WeakPolarHBondContact O-CA 3.48Å; E306-Y366 WeakPolarHBondContact O-CB 3.5Å; Y366-A368 HydrophobicContact CE2-CB 4.06Å; Y366-P373 CarbonylContact O-C 3.52Å; Y366-P373 VanDerWaalsContact O-CA 3.27Å; Y366-P373 WeakPolarHBondContact O-CA 3.46Å; Y366-A374 HydrophobicContact CD1-CB 4.25Å; Y366-A374 VanDerWaalsContact CD1-O 3.27Å; Y366-A374 WeakPolarHBondContact CD1-O 3.31Å; Y366-A374 HydrophobicContact CE1-CB 3.66Å; Y366-A374 PolarHBondContact N-O 3.31Å; Y366-A374 PolarHBondContact O-N 3.16Å; Y366-L376 HydrophobicContact CD1-CB 3.77Å; Y366-L376 HydrophobicContact CD1-CD1 4.35Å; Y366-L376 HydrophobicContact CE1-CB 3.97Å; Y366-L376 HydrophobicContact CE1-CD1 3.97Å
367	K	85.4	Confident	88.7	Confident	14 Å²	14	35.3 Å²	35.3	6%	0.061	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.5	171.7	-70.3	-175.2	-175.5	167.7	0	110.8	L336 A337 T339 G369 D370 I372 P373	L336-K367 HydrophobicContact CD2-CG 3.82Å; L336-K367 HydrophobicContact CG-CG 4.24Å; L336-K367 VanDerWaalsContact O-CE 3.24Å; L336-K367 WeakPolarHBondContact O-CE 3.4Å; L336-K367 PolarHBondContact O-NZ 3.05Å; A337-K367 HydrophobicContact CB-CD 4.2Å; A337-K367 PolarHBondContact O-NZ 2.67Å; T339-K367 WeakPolarHBondContact OG1-CE 3.31Å; T339-K367 PolarHBondContact OG1-NZ 3.26Å; K367-G369 PolarHBondContact O-N 3.01Å; K367-D370 WeakPolarHBondContact CD-O 3.37Å; K367-D370 PolarHBondContact O-N 3.47Å; K367-I372 CarbonylContact C-O 3.34Å; K367-I372 WeakPolarHBondContact CA-O 3.25Å; K367-P373 HydrophobicContact CG-CG 4.49Å
368	A	73.3	Confident	88.8	Confident	35 Å²	35	35.5 Å²	35.5	29%	0.289	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126.4	168.7	0	0	0	0	0	109.9	Y366 D370 I371 I372	Y366-A368 HydrophobicContact CE2-CB 4.06Å; A368-D370 PolarHBondContact O-N 2.86Å; A368-I371 PolarHBondContact O-N 3.02Å; A368-I372 PolarHBondContact N-O 3.42Å; A368-I372 PolarHBondContact O-N 3.08Å
369	G	68.3	Low	88.8	Confident	45 Å²	45	33.3 Å²	33.3	46%	0.464	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	29	-175.2	0	0	0	0	0	113.6	K367 I371	K367-G369 PolarHBondContact O-N 3.01Å; G369-I371 WeakPolarHBondContact O-CG1 3.25Å; G369-I371 PolarHBondContact O-N 3.19Å
370	D	67.9	Low	88.7	Confident	42 Å²	42	35.8 Å²	35.8	23%	0.225	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	7.1	-179.4	-52.5	-58.3	0	0	0	115.2	K302 K367 A368	K302-D370 IonicContact NZ-OD2 3.77Å; K302-D370 PolarHBondContact NZ-OD2 2.78Å; K367-D370 WeakPolarHBondContact CD-O 3.37Å; K367-D370 PolarHBondContact O-N 3.47Å; A368-D370 PolarHBondContact O-N 2.86Å
371	I	73.3	Confident	88.7	Confident	109 Å²	109	40.2 Å²	40.2	56%	0.559	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.5	-50.2	-173.1	-61.8	174	0	0	0	112.5	A368 G369 P373	A368-I371 PolarHBondContact O-N 3.02Å; G369-I371 WeakPolarHBondContact O-CG1 3.25Å; G369-I371 PolarHBondContact O-N 3.19Å; I371-P373 WeakPolarHBondContact O-CD 3.44Å
372	I	82.7	Confident	88.6	Confident	102 Å²	102	45.4 Å²	45.4	52%	0.523	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.1	-168.8	-59.3	175.1	0	0	0	109.3	T345 K367 A368 A374	T345-I372 HydrophobicContact CG2-CG2 4.36Å; K367-I372 CarbonylContact C-O 3.34Å; K367-I372 WeakPolarHBondContact CA-O 3.25Å; A368-I372 PolarHBondContact N-O 3.42Å; A368-I372 PolarHBondContact O-N 3.08Å; I372-A374 PolarHBondContact O-N 2.77Å
373	P	92.6	Very high	88.3	Confident	29 Å²	29	46.8 Å²	46.8	19%	0.188	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.1	177.6	-16	30.4	0	0	0	111.4	V341 R343 A344 T345 V365 Y366 K367 I371	V341-P373 HydrophobicContact CB-CG 4.48Å; V341-P373 HydrophobicContact CG1-CB 3.54Å; V341-P373 HydrophobicContact CG1-CG 3.78Å; V341-P373 HydrophobicContact CG2-CB 4.26Å; V341-P373 HydrophobicContact CG2-CG 3.85Å; R343-P373 WeakPolarHBondContact O-CB 3.35Å; A344-P373 CarbonylContact C-O 3.55Å; A344-P373 VanDerWaalsContact CA-O 3.31Å; A344-P373 WeakPolarHBondContact CA-O 3.39Å; A344-P373 HydrophobicContact CB-CB 4.14Å; T345-P373 PolarHBondContact N-O 2.96Å; V365-P373 HydrophobicContact CG1-CB 4.42Å; Y366-P373 CarbonylContact O-C 3.52Å; Y366-P373 VanDerWaalsContact O-CA 3.27Å; Y366-P373 WeakPolarHBondContact O-CA 3.46Å; K367-P373 HydrophobicContact CG-CG 4.49Å; I371-P373 WeakPolarHBondContact O-CD 3.44Å
374	A	93.3	Very high	87.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.5	179.4	0	0	0	0	0	110	T345 V365 Y366 I372	T345-A374 HydrophobicContact CG2-CB 3.68Å; V365-A374 WeakPolarHBondContact CA-O 3.3Å; Y366-A374 HydrophobicContact CD1-CB 4.25Å; Y366-A374 VanDerWaalsContact CD1-O 3.27Å; Y366-A374 WeakPolarHBondContact CD1-O 3.31Å; Y366-A374 HydrophobicContact CE1-CB 3.66Å; Y366-A374 PolarHBondContact N-O 3.31Å; Y366-A374 PolarHBondContact O-N 3.16Å; I372-A374 PolarHBondContact O-N 2.77Å
375	V	94.3	Very high	87.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.9	169.7	173.5	0	0	0	0	108.4	A344 T345 L346 Y351 I357 V363	A344-V375 HydrophobicContact CB-CG2 4.08Å; T345-V375 PolarHBondContact O-N 3.35Å; L346-V375 HydrophobicContact CD2-CB 3.81Å; L346-V375 HydrophobicContact CD2-CG1 4.41Å; L346-V375 HydrophobicContact CD2-CG2 3.57Å; Y351-V375 PolarHBondContact OH-O 2.88Å; I357-V375 HydrophobicContact CD1-CG1 3.9Å; V363-V375 HydrophobicContact CB-CG1 3.76Å; V363-V375 HydrophobicContact CG1-CG1 4.07Å; V363-V375 HydrophobicContact CG2-CG1 3.97Å; V363-V375 HydrophobicContact CG2-CG2 3.89Å
376	L	91.5	Very high	87.2	Confident	48 Å²	48	60.7 Å²	60.7	25%	0.251	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-54.5	179.6	-175.5	63.1	0	0	0	112.2	E307 Y351 I364 Y366	E307-L376 HydrophobicContact CG-CD2 4.31Å; E307-L376 VanDerWaalsContact OE1-CD2 3.22Å; E307-L376 WeakPolarHBondContact OE1-CD2 3.49Å; Y351-L376 PolarHBondContact OH-O 3.01Å; I364-L376 HydrophobicContact CB-CB 4.38Å; I364-L376 HydrophobicContact CG2-CB 4.22Å; I364-L376 HydrophobicContact CG2-CD2 4.16Å; I364-L376 PolarHBondContact O-N 3.36Å; Y366-L376 HydrophobicContact CD1-CB 3.77Å; Y366-L376 HydrophobicContact CD1-CD1 4.35Å; Y366-L376 HydrophobicContact CE1-CB 3.97Å; Y366-L376 HydrophobicContact CE1-CD1 3.97Å
377	H	92.5	Very high	86.9	Confident	79 Å²	79	63 Å²	63	37%	0.366	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	163.9	178.2	61.6	-85.1	0	0	0	111.1	V363 I364	V363-H377 WeakPolarHBondContact CA-O 3.19Å; I364-H377 WeakPolarHBondContact CG1-NE2 3.35Å; I364-H377 PolarHBondContact N-O 3.15Å
378	V	94.9	Very high	86.8	Confident	7 Å²	7	65.9 Å²	65.9	4%	0.042	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	141	174.7	-178.5	0	0	0	0	110.5	I357 D361 V363 D380	I357-V378 HydrophobicContact CB-CG2 4.41Å; I357-V378 HydrophobicContact CG1-CG2 3.81Å; D361-V378 HydrophobicContact CB-CG1 3.87Å; D361-V378 HydrophobicContact CB-CG2 4.47Å; V363-V378 HydrophobicContact CG1-CG2 4.05Å; V378-D380 PolarHBondContact O-N 2.78Å; V378-D380 VanDerWaalsContact O-N 3.11Å
379	V	95.4	Very high	87.3	Confident	17 Å²	17	65 Å²	65	10%	0.103	37%	0.366	C	S	.	.			trans	-81.4	84.5	171	-174.5	0	0	0	0	108.7	E309 T362 I364 S381 K382	E309-V379 HydrophobicContact CG-CG2 4.1Å; T362-V379 HydrophobicContact CG2-CB 4.28Å; T362-V379 HydrophobicContact CG2-CG2 4.1Å; T362-V379 WeakPolarHBondContact O-CB 3.4Å; T362-V379 PolarHBondContact O-N 3.32Å; I364-V379 HydrophobicContact CD1-CG2 3.81Å; I364-V379 HydrophobicContact CG1-CG2 3.85Å; V379-S381 WeakPolarHBondContact CG1-OG 3.28Å; V379-S381 PolarHBondContact O-N 3.45Å; V379-S381 VanDerWaalsContact O-N 3.1Å; V379-K382 HydrophobicContact CG1-CB 4.36Å; V379-K382 HydrophobicContact CG1-CD 4.17Å; V379-K382 HydrophobicContact CG1-CG 4.04Å; V379-K382 PolarHBondContact O-N 3.18Å
380	D	91.9	Very high	88.1	Confident	110 Å²	110	67.3 Å²	67.3	59%	0.588	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-55.2	-32.6	-173.9	-73.8	-54.4	0	0	0	113.8	V378 K382 R383	V378-D380 PolarHBondContact O-N 2.78Å; V378-D380 VanDerWaalsContact O-N 3.11Å; D380-K382 PolarHBondContact O-N 3.49Å; D380-K382 VanDerWaalsContact O-N 3.16Å; D380-R383 WeakPolarHBondContact O-CB 3.41Å; D380-R383 PolarHBondContact O-N 3.46Å; D380-R383 IonicContact OD1-CZ 2.84Å; D380-R383 IonicContact OD1-NH1 2.79Å; D380-R383 PolarHBondContact OD1-NH1 2.89Å
381	S	93.9	Very high	89.3	Confident	109 Å²	109	69.1 Å²	69.1	76%	0.762	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-63.7	-19.1	179.2	61.4	0	0	0	0	113.9	V379	V379-S381 WeakPolarHBondContact CG1-OG 3.28Å; V379-S381 PolarHBondContact O-N 3.45Å; V379-S381 VanDerWaalsContact O-N 3.1Å
382	K	93.4	Very high	90.4	Very high	110 Å²	110	65.3 Å²	65.3	48%	0.478	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-99.4	-2.9	176.9	-69.5	-173.5	172.6	-173.8	0	113.3	E309 T362 V379 D380	E309-K382 WeakPolarHBondContact OE2-CE 3.36Å; E309-K382 IonicContact OE2-NZ 2.73Å; E309-K382 PolarHBondContact OE2-NZ 3.22Å; T362-K382 HydrophobicContact CG2-CD 3.9Å; V379-K382 HydrophobicContact CG1-CB 4.36Å; V379-K382 HydrophobicContact CG1-CD 4.17Å; V379-K382 HydrophobicContact CG1-CG 4.04Å; V379-K382 PolarHBondContact O-N 3.18Å; D380-K382 PolarHBondContact O-N 3.49Å; D380-K382 VanDerWaalsContact O-N 3.16Å
383	R	91.1	Very high	91	Very high	55 Å²	55	68.1 Å²	68.1	21%	0.208	38%	0.375	C	S	.	.			trans	-76.6	131.4	179.6	-172.5	175.8	-75.3	175.4	-18.1	110.8	D356 D361 D380	D356-R383 PolarHBondContact O-NH2 2.77Å; D356-R383 IonicContact OD2-CZ 3.16Å; D356-R383 IonicContact OD2-NH1 2.65Å; D356-R383 PolarHBondContact OD2-NH1 3.23Å; D356-R383 IonicContact OD2-NH2 3.63Å; D361-R383 IonicContact OD1-CZ 2.78Å; D361-R383 IonicContact OD1-NE 3.78Å; D361-R383 PolarHBondContact OD1-NE 3.13Å; D361-R383 VanDerWaalsContact OD1-NE 3.1Å; D361-R383 IonicContact OD1-NH2 3.51Å; D361-R383 IonicContact OD2-CZ 2.64Å; D361-R383 IonicContact OD2-NE 3.92Å; D361-R383 IonicContact OD2-NH2 3.47Å; D361-R383 PolarHBondContact OD2-NH2 2.98Å; D380-R383 WeakPolarHBondContact O-CB 3.41Å; D380-R383 PolarHBondContact O-N 3.46Å; D380-R383 IonicContact OD1-CZ 2.84Å; D380-R383 IonicContact OD1-NH1 2.79Å; D380-R383 PolarHBondContact OD1-NH1 2.89Å
384	G	89.4	Confident	91.2	Very high	64 Å²	64	71 Å²	71	66%	0.66	39%	0.389	S	S	*	.	S	Bend	trans	-124.7	-88.5	175.9	0	0	0	0	0	111.7
385	K	87.2	Confident	91.3	Very high	204 Å²	204	71.2 Å²	71.2	89%	0.887	39%	0.39	S	S	*	.	S	Bend	trans	-112.1	15.7	-173.2	-62.7	-175.9	-179.1	179	0	113.9	V387	K385-V387 PolarHBondContact O-N 2.95Å
386	Q	88.7	Confident	91.3	Very high	40 Å²	40	74.7 Å²	74.7	19%	0.187	41%	0.413	C	S	.	.			trans	-58.8	136	-178.6	-73	80.8	-12.5	0	0	111	R358 I359 G360 D361	R358-Q386 HydrophobicContact CB-CB 3.83Å; R358-Q386 VanDerWaalsContact CD-O 3.29Å; R358-Q386 WeakPolarHBondContact CD-O 3.21Å; R358-Q386 PolarHBondContact NH1-O 3.07Å; I359-Q386 WeakPolarHBondContact O-CG 3.46Å; G360-Q386 VanDerWaalsContact C-CG 3.46Å; G360-Q386 WeakPolarHBondContact O-CG 2.98Å; G360-Q386 PolarHBondContact O-NE2 2.87Å; D361-Q386 WeakPolarHBondContact OD1-CG 3.16Å
387	V	83.2	Confident	91.4	Very high	103 Å²	103	74.3 Å²	74.3	62%	0.624	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	137	-174.7	-179.1	0	0	0	0	109.3	R358 I359 K385 M389	R358-V387 VanDerWaalsContact CB-O 3.28Å; R358-V387 WeakPolarHBondContact CB-O 3.49Å; I359-V387 PolarHBondContact N-O 3.49Å; K385-V387 PolarHBondContact O-N 2.95Å; V387-M389 PolarHBondContact O-N 3.42Å
388	P	84.1	Confident	91.5	Very high	76 Å²	76	72.7 Å²	72.7	49%	0.494	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.3	139.3	175.3	-30.5	36.4	0	0	0	113	P390	P388-P390 WeakPolarHBondContact O-CD 3.15Å
389	M	83.8	Confident	91.4	Very high	16 Å²	16	74.3 Å²	74.3	8%	0.079	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-57.8	120.3	178.4	-176.1	65.6	58.6	0	0	110.5	I312 V315 W317 I352 I357 I359 V387 I391	I312-M389 HydrophobicContact CG2-CE 4.4Å; V315-M389 HydrophobicContact CB-CE 4.29Å; V315-M389 HydrophobicContact CB-SD 3.83Å; V315-M389 HydrophobicContact CG2-CE 3.29Å; V315-M389 HydrophobicContact CG2-SD 3.48Å; V315-M389 WeakPolarHBondContact CG2-SD 3.32Å; W317-M389 HydrophobicContact CZ2-CG 4.45Å; I352-M389 HydrophobicContact CD1-CG 4.47Å; I352-M389 HydrophobicContact CG2-CB 3.82Å; I352-M389 HydrophobicContact CG2-CG 4.16Å; I357-M389 HydrophobicContact CG2-CE 4.5Å; I357-M389 WeakPolarHBondContact O-CB 3.46Å; I359-M389 HydrophobicContact CD1-CE 3.33Å; I359-M389 HydrophobicContact CD1-SD 3.43Å; I359-M389 WeakPolarHBondContact CD1-SD 3.39Å; I359-M389 HydrophobicContact CG1-CE 3.55Å; I359-M389 HydrophobicContact CG1-SD 3.55Å; I359-M389 VanDerWaalsContact CG1-SD 3.55Å; V387-M389 PolarHBondContact O-N 3.42Å; M389-I391 PolarHBondContact O-N 3.48Å
390	P	85.6	Confident	91.3	Very high	94 Å²	94	73.9 Å²	73.9	61%	0.61	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-68.1	118.9	173.5	26.9	-31.6	0	0	0	109.5	P388	P388-P390 WeakPolarHBondContact O-CD 3.15Å
391	I	93	Very high	91.4	Very high	80 Å²	80	74.2 Å²	74.2	41%	0.41	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-83.6	129.7	172.4	-61.5	173.4	0	0	0	107.5	W317 V349 M389 E393 L411	W317-I391 HydrophobicContact CH2-CG1 4.46Å; W317-I391 HydrophobicContact CH2-CG2 4.38Å; V349-I391 HydrophobicContact CB-CD1 4.1Å; V349-I391 HydrophobicContact CG1-CD1 4.15Å; V349-I391 HydrophobicContact CG1-CG1 4.29Å; V349-I391 HydrophobicContact CG1-CG2 3.71Å; M389-I391 PolarHBondContact O-N 3.48Å; I391-E393 PolarHBondContact O-N 2.88Å; I391-L411 HydrophobicContact CG2-CD2 3.98Å
392	P	94.8	Very high	91.5	Very high	28 Å²	28	69.8 Å²	69.8	18%	0.182	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-66.8	131	178.6	27.5	-34.6	0	0	0	110.4	W317 L402 L411	W317-P392 HydrophobicContact CB-CG 4.39Å; W317-P392 VanDerWaalsContact CD2-CD 3.49Å; W317-P392 HydrophobicContact CD2-CG 3.52Å; W317-P392 HydrophobicContact CE3-CG 3.73Å; W317-P392 HydrophobicContact CG-CG 3.82Å; W317-P392 HydrophobicContact CH2-CG 4.5Å; W317-P392 HydrophobicContact CZ2-CG 4.34Å; W317-P392 HydrophobicContact CZ3-CG 4.21Å; P392-L402 HydrophobicContact CB-CD1 4.22Å; P392-L402 HydrophobicContact CG-CD1 4.09Å; P392-L402 WeakPolarHBondContact O-CD1 3.45Å; P392-L411 HydrophobicContact CG-CD2 4.09Å
393	E	95.3	Very high	91.4	Very high	161 Å²	161	66 Å²	66	75%	0.752	38%	0.377	S	S	*	.	S	Bend	trans	-84.1	-25.3	170	-62.7	-179.1	170.3	0	0	111.1	I391 E401 L402	I391-E393 PolarHBondContact O-N 2.88Å; E393-E401 WeakPolarHBondContact O-CA 3.39Å; E393-L402 PolarHBondContact O-N 3.16Å
394	N	96.9	Very high	91.5	Very high	90 Å²	90	67 Å²	67	48%	0.481	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-114.7	145.2	-178.8	-64	99.5	0	0	0	111.8	G399 S400	N394-G399 WeakPolarHBondContact CB-O 3.26Å; N394-G399 PolarHBondContact ND2-O 2.79Å; N394-S400 CarbonylContact C-O 3.56Å
395	C	96.3	Very high	91.3	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.027	36%	0.355	C	S	.	.			trans	-63.1	125.1	-179.1	179.6	0	0	0	0	110.6	V319 S397 C398 G399 S400 L402 C413	V319-C395 VanDerWaalsContact CG2-SG 3.51Å; C395-S397 PolarHBondContact O-N 2.91Å; C395-S397 VanDerWaalsContact O-N 3.1Å; C395-S397 PolarHBondContact SG-N 2.99Å; C395-C398 PolarHBondContact SG-SG 3.3Å; C395-G399 VanDerWaalsContact O-CA 3.28Å; C395-G399 WeakPolarHBondContact O-CA 3.49Å; C395-G399 PolarHBondContact O-N 2.59Å; C395-S400 VanDerWaalsContact CB-O 3.23Å; C395-S400 WeakPolarHBondContact CB-O 3.45Å; C395-S400 PolarHBondContact N-O 3.25Å; C395-L402 HydrophobicContact CB-CD2 3.66Å; C395-L402 HydrophobicContact CB-CG 4.29Å; C395-C413 HydrophobicContact CB-CB 4.12Å
396	P	94.9	Very high	91	Very high	73 Å²	73	63.1 Å²	63.1	47%	0.474	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.5	179	27.3	-34.4	0	0	0	113.4	W317 V319 V325	W317-P396 HydrophobicContact CB-CG 3.96Å; W317-P396 VanDerWaalsContact O-CG 3.24Å; W317-P396 WeakPolarHBondContact O-CG 3.49Å; V319-P396 HydrophobicContact CG2-CG 3.73Å; V325-P396 HydrophobicContact CG1-CG 4.31Å
397	S	93.1	Very high	90.5	Very high	41 Å²	41	65.9 Å²	65.9	29%	0.287	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-44.6	179.2	179.7	0	0	0	0	113.2	C395 S420	C395-S397 PolarHBondContact O-N 2.91Å; C395-S397 VanDerWaalsContact O-N 3.1Å; C395-S397 PolarHBondContact SG-N 2.99Å; S397-S420 VanDerWaalsContact CB-OG 3.28Å; S397-S420 WeakPolarHBondContact CB-OG 3.13Å; S397-S420 WeakPolarHBondContact OG-CB 3.42Å; S397-S420 PolarHBondContact OG-OG 2.64Å
398	C	93.4	Very high	90.3	Very high	45 Å²	45	62.5 Å²	62.5	30%	0.304	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-5	-175	56.2	0	0	0	0	115.4	C395 S400 C418	C395-C398 PolarHBondContact SG-SG 3.3Å; C398-S400 PolarHBondContact O-N 3.13Å; C398-C418 VanDerWaalsContact SG-SG 3.68Å
399	G	93.2	Very high	90.4	Very high	41 Å²	41	62.4 Å²	62.4	42%	0.423	34%	0.343	S	S	.	.			trans	80	-12	-177.7	0	0	0	0	0	115.9	N394 C395	N394-G399 WeakPolarHBondContact CB-O 3.26Å; N394-G399 PolarHBondContact ND2-O 2.79Å; C395-G399 VanDerWaalsContact O-CA 3.28Å; C395-G399 WeakPolarHBondContact O-CA 3.49Å; C395-G399 PolarHBondContact O-N 2.59Å
400	S	93.2	Very high	90.7	Very high	7 Å²	7	62.2 Å²	62.2	5%	0.049	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-55.8	143.7	175.3	167.3	0	0	0	0	112.1	N394 C395 C398 L402	N394-S400 CarbonylContact C-O 3.56Å; C395-S400 VanDerWaalsContact CB-O 3.23Å; C395-S400 WeakPolarHBondContact CB-O 3.45Å; C395-S400 PolarHBondContact N-O 3.25Å; C398-S400 PolarHBondContact O-N 3.13Å; S400-L402 PolarHBondContact O-N 3.14Å
401	E	94.6	Very high	91.1	Very high	118 Å²	118	58.2 Å²	58.2	55%	0.551	32%	0.318	S	S	*	.	B	Isolated β-bridge	trans	-53.6	133.5	170.6	175.3	-163	-148.1	0	0	111.4	E393 K552	E393-E401 WeakPolarHBondContact O-CA 3.39Å; E401-K552 PolarHBondContact O-NZ 3.46Å; E401-K552 IonicContact OE2-NZ 2.78Å; E401-K552 PolarHBondContact OE2-NZ 3.21Å
402	L	95.2	Very high	91.2	Very high	16 Å²	16	57 Å²	57	8%	0.084	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-88.9	150	178	-63.5	176.8	0	0	0	111.3	V325 P392 E393 C395 S400 L411 R412 C413	V325-L402 HydrophobicContact CG1-CD1 4.49Å; V325-L402 HydrophobicContact CG2-CD1 3.95Å; V325-L402 HydrophobicContact CG2-CD2 3.6Å; V325-L402 HydrophobicContact CG2-CG 4.44Å; P392-L402 HydrophobicContact CB-CD1 4.22Å; P392-L402 HydrophobicContact CG-CD1 4.09Å; P392-L402 WeakPolarHBondContact O-CD1 3.45Å; E393-L402 PolarHBondContact O-N 3.16Å; C395-L402 HydrophobicContact CB-CD2 3.66Å; C395-L402 HydrophobicContact CB-CG 4.29Å; S400-L402 PolarHBondContact O-N 3.14Å; L402-L411 HydrophobicContact CB-CD1 3.76Å; L402-L411 HydrophobicContact CB-CD2 4.46Å; L402-L411 HydrophobicContact CB-CG 4.04Å; L402-L411 HydrophobicContact CD1-CD1 4.48Å; L402-L411 HydrophobicContact CD1-CD2 3.66Å; L402-L411 HydrophobicContact CD1-CG 3.98Å; L402-R412 WeakPolarHBondContact CA-O 3.37Å; L402-R412 WeakPolarHBondContact CD2-O 3.05Å; L402-C413 HydrophobicContact CD2-CB 3.67Å
403	I	92.3	Very high	91.2	Very high	30 Å²	30	55.8 Å²	55.8	15%	0.154	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.7	178.9	-57.5	-175.6	0	0	0	109.2	Y405 R412 I414	I403-Y405 HydrophobicContact CB-CE2 4.18Å; I403-Y405 HydrophobicContact CG2-CD1 4.18Å; I403-Y405 HydrophobicContact CG2-CD2 3.82Å; I403-Y405 HydrophobicContact CG2-CE1 3.99Å; I403-Y405 HydrophobicContact CG2-CE2 3.63Å; I403-Y405 HydrophobicContact CG2-CG 4.1Å; I403-R412 PolarHBondContact N-O 3.21Å; I403-R412 PolarHBondContact O-N 2.99Å; I403-I414 HydrophobicContact CD1-CD1 3.41Å; I403-I414 VanDerWaalsContact CD1-CD1 3.41Å; I403-I414 HydrophobicContact CD1-CG1 3.83Å; I403-I414 HydrophobicContact CG1-CG1 4.46Å
404	H	92.5	Very high	91	Very high	77 Å²	77	48.9 Å²	48.9	36%	0.356	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.5	168.6	-172.1	-140.9	0	0	0	108	D350 E408 V409 A410 L411	D350-H404 IonicContact OD1-CE1 2.63Å; D350-H404 PolarHBondContact OD1-CE1 3.5Å; D350-H404 IonicContact OD1-NE2 2.69Å; D350-H404 IonicContact OD2-CE1 3.12Å; D350-H404 IonicContact OD2-NE2 2.82Å; H404-E408 PolarHBondContact CD2-O 3.28Å; H404-E408 PolarHBondContact NE2-O 2.91Å; H404-V409 VanDerWaalsContact NE2-C 3.35Å; H404-V409 PolarHBondContact NE2-O 3.35Å; H404-A410 PolarHBondContact CD2-O 3.45Å; H404-L411 HydrophobicContact CB-CD1 3.96Å
405	Y	85.9	Confident	90.8	Very high	8 Å²	8	44.9 Å²	44.9	3%	0.031	25%	0.247	C	C	.	.			trans	-80.8	145.1	-177.8	-61.8	-95.4	0	0	0	110.4	I403 D407 E408	I403-Y405 HydrophobicContact CB-CE2 4.18Å; I403-Y405 HydrophobicContact CG2-CD1 4.18Å; I403-Y405 HydrophobicContact CG2-CD2 3.82Å; I403-Y405 HydrophobicContact CG2-CE1 3.99Å; I403-Y405 HydrophobicContact CG2-CE2 3.63Å; I403-Y405 HydrophobicContact CG2-CG 4.1Å; Y405-D407 VanDerWaalsContact CB-OD1 3.32Å; Y405-D407 WeakPolarHBondContact CB-OD1 3.34Å; Y405-D407 PolarHBondContact O-N 3.21Å; Y405-D407 VanDerWaalsContact O-N 3.12Å; Y405-E408 WeakPolarHBondContact CD2-OE1 3.49Å; Y405-E408 PolarHBondContact O-N 3.42Å
406	E	79.8	Confident	90.4	Very high	177 Å²	177	45 Å²	45	83%	0.827	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.6	-178.8	-67.9	159.1	-128.5	0	0	114.1	K544	E406-K544 IonicContact OE1-NZ 3.91Å; E406-K544 PolarHBondContact OE1-NZ 2.56Å; E406-K544 VanDerWaalsContact OE1-NZ 3.12Å
407	D	78.7	Confident	90.2	Very high	99 Å²	99	43.1 Å²	43.1	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	2.6	-177.5	64.8	-59.5	0	0	0	114.2	Y405 R504	Y405-D407 VanDerWaalsContact CB-OD1 3.32Å; Y405-D407 WeakPolarHBondContact CB-OD1 3.34Å; Y405-D407 PolarHBondContact O-N 3.21Å; Y405-D407 VanDerWaalsContact O-N 3.12Å; D407-R504 IonicContact OD1-NH1 3.45Å; D407-R504 IonicContact OD1-NH2 3.2Å; D407-R504 IonicContact OD2-CZ 3.56Å; D407-R504 IonicContact OD2-NH1 2.82Å; D407-R504 PolarHBondContact OD2-NH1 3.25Å; D407-R504 IonicContact OD2-NH2 3.86Å; D407-R504 PolarHBondContact OD2-NH2 3.43Å
408	E	79.7	Confident	90.2	Very high	31 Å²	31	41.1 Å²	41.1	15%	0.145	22%	0.219	C	C	.	.			trans	-143.6	150.7	178.2	73.8	-176.3	170	0	0	112.5	H404 Y405 A410 R412 R504	H404-E408 PolarHBondContact CD2-O 3.28Å; H404-E408 PolarHBondContact NE2-O 2.91Å; Y405-E408 WeakPolarHBondContact CD2-OE1 3.49Å; Y405-E408 PolarHBondContact O-N 3.42Å; E408-A410 HydrophobicContact CG-CB 4.23Å; E408-A410 PolarHBondContact O-N 2.9Å; E408-R412 VanDerWaalsContact CD-NE 3.26Å; E408-R412 WeakPolarHBondContact OE1-CD 3.44Å; E408-R412 IonicContact OE1-CZ 3.54Å; E408-R412 IonicContact OE1-NE 2.67Å; E408-R412 PolarHBondContact OE1-NE 2.96Å; E408-R412 IonicContact OE2-CZ 2.81Å; E408-R412 IonicContact OE2-NE 3.46Å; E408-R412 PolarHBondContact OE2-NE 3.45Å; E408-R412 IonicContact OE2-NH2 3.82Å; E408-R412 PolarHBondContact OE2-NH2 2.95Å; E408-R504 IonicContact OE1-NE 3.84Å; E408-R504 IonicContact OE2-NE 2.75Å; E408-R504 IonicContact OE2-NH2 3.76Å
409	V	86.7	Confident	90	Very high	74 Å²	74	41.9 Å²	41.9	45%	0.448	22%	0.224	S	C	.	.	S	Bend	trans	-77.1	-5.4	175.8	-58.9	0	0	0	0	113.6	N348 D350 H404	N348-V409 HydrophobicContact CB-CB 4.46Å; N348-V409 HydrophobicContact CB-CG2 4.38Å; N348-V409 VanDerWaalsContact CB-O 3.26Å; N348-V409 WeakPolarHBondContact CB-O 3.3Å; N348-V409 VanDerWaalsContact ND2-CG2 3.33Å; N348-V409 WeakPolarHBondContact ND2-CG2 3.5Å; D350-V409 HydrophobicContact CB-CB 4.22Å; D350-V409 HydrophobicContact CB-CG1 4.25Å; D350-V409 WeakPolarHBondContact OD2-CA 3.11Å; H404-V409 VanDerWaalsContact NE2-C 3.35Å; H404-V409 PolarHBondContact NE2-O 3.35Å
410	A	89.2	Confident	89.9	Confident	12 Å²	12	42.1 Å²	42.1	10%	0.099	22%	0.219	C	C	.	.			trans	-94.7	122.3	-166.3	0	0	0	0	0	111.9	V324 H404 E408 R412	V324-A410 HydrophobicContact CG1-CB 4.33Å; V324-A410 HydrophobicContact CG2-CB 4.48Å; H404-A410 PolarHBondContact CD2-O 3.45Å; E408-A410 HydrophobicContact CG-CB 4.23Å; E408-A410 PolarHBondContact O-N 2.9Å; A410-R412 HydrophobicContact CB-CG 4.41Å
411	L	95	Very high	89.8	Confident	11 Å²	11	42 Å²	42	6%	0.058	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133	164.5	-173.6	66	0	0	0	109.5	W317 V325 V349 I391 P392 L402 H404	W317-L411 HydrophobicContact CZ3-CD2 4.28Å; V325-L411 HydrophobicContact CB-CB 4.43Å; V325-L411 HydrophobicContact CB-CD2 4.32Å; V325-L411 HydrophobicContact CB-CG 4.37Å; V325-L411 PolarHBondContact N-O 3.16Å; V349-L411 HydrophobicContact CG1-CB 4.05Å; V349-L411 HydrophobicContact CG1-CD2 4.01Å; V349-L411 HydrophobicContact CG2-CB 4.3Å; I391-L411 HydrophobicContact CG2-CD2 3.98Å; P392-L411 HydrophobicContact CG-CD2 4.09Å; L402-L411 HydrophobicContact CB-CD1 3.76Å; L402-L411 HydrophobicContact CB-CD2 4.46Å; L402-L411 HydrophobicContact CB-CG 4.04Å; L402-L411 HydrophobicContact CD1-CD1 4.48Å; L402-L411 HydrophobicContact CD1-CD2 3.66Å; L402-L411 HydrophobicContact CD1-CG 3.98Å; H404-L411 HydrophobicContact CB-CD1 3.96Å
412	R	93.6	Very high	89.6	Confident	55 Å²	55	36.5 Å²	36.5	21%	0.208	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.1	-173.2	-65.9	-174.3	-175.7	-88.4	-5.1	114.6	T322 G323 L402 I403 E408 A410 I414	T322-R412 PolarHBondContact O-NH1 3.31Å; G323-R412 CarbonylContact O-C 3.54Å; G323-R412 VanDerWaalsContact O-CA 3.29Å; G323-R412 WeakPolarHBondContact O-CA 3.26Å; L402-R412 WeakPolarHBondContact CA-O 3.37Å; L402-R412 WeakPolarHBondContact CD2-O 3.05Å; I403-R412 PolarHBondContact N-O 3.21Å; I403-R412 PolarHBondContact O-N 2.99Å; E408-R412 VanDerWaalsContact CD-NE 3.26Å; E408-R412 WeakPolarHBondContact OE1-CD 3.44Å; E408-R412 IonicContact OE1-CZ 3.54Å; E408-R412 IonicContact OE1-NE 2.67Å; E408-R412 PolarHBondContact OE1-NE 2.96Å; E408-R412 IonicContact OE2-CZ 2.81Å; E408-R412 IonicContact OE2-NE 3.46Å; E408-R412 PolarHBondContact OE2-NE 3.45Å; E408-R412 IonicContact OE2-NH2 3.82Å; E408-R412 PolarHBondContact OE2-NH2 2.95Å; A410-R412 HydrophobicContact CB-CG 4.41Å; R412-I414 HydrophobicContact CB-CG2 4.43Å
413	C	95.4	Very high	89.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.202	C	C	.	.			trans	-87.9	118.6	158.9	178.8	0	0	0	0	109.2	V319 G323 C395 L402 C418 Q421	V319-C413 HydrophobicContact CG1-CB 4.31Å; G323-C413 PolarHBondContact O-N 3.24Å; C395-C413 HydrophobicContact CB-CB 4.12Å; L402-C413 HydrophobicContact CD2-CB 3.67Å; C413-C418 VanDerWaalsContact SG-SG 3.7Å; C413-Q421 PolarHBondContact O-NE2 2.75Å
414	I	91.2	Very high	89.4	Confident	17 Å²	17	41.3 Å²	41.3	9%	0.087	21%	0.213	C	C	.	.			trans	-102.8	2.9	176.1	64.3	155.6	0	0	0	113.5	I403 R412 P416 S548 K552	I403-I414 HydrophobicContact CD1-CD1 3.41Å; I403-I414 VanDerWaalsContact CD1-CD1 3.41Å; I403-I414 HydrophobicContact CD1-CG1 3.83Å; I403-I414 HydrophobicContact CG1-CG1 4.46Å; R412-I414 HydrophobicContact CB-CG2 4.43Å; I414-P416 WeakPolarHBondContact O-CD 3.37Å; I414-S548 WeakPolarHBondContact CD1-O 3.15Å; I414-K552 HydrophobicContact CD1-CG 4.15Å; I414-K552 HydrophobicContact CG1-CG 4.38Å
415	N	92.9	Very high	89.4	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.032	20%	0.202	C	C	.	.			trans	-60.7	120.7	177.8	175.5	-12	0	0	0	109.5	L417 C418 E554	N415-L417 VanDerWaalsContact C-N 3.25Å; N415-L417 PolarHBondContact O-N 3.37Å; N415-L417 WeakPolarHBondContact OD1-CA 3.37Å; N415-L417 WeakPolarHBondContact OD1-CB 3.33Å; N415-L417 PolarHBondContact OD1-N 3.36Å; N415-C418 HydrophobicContact CB-CB 4.37Å; N415-C418 VanDerWaalsContact O-CB 3.25Å; N415-C418 WeakPolarHBondContact O-CB 3.39Å; N415-C418 PolarHBondContact O-N 2.82Å; N415-E554 VanDerWaalsContact ND2-CD 3.31Å; N415-E554 VanDerWaalsContact ND2-CG 3.35Å; N415-E554 WeakPolarHBondContact ND2-CG 3.43Å; N415-E554 PolarHBondContact ND2-OE1 3.43Å; N415-E554 VanDerWaalsContact OD1-CB 3.22Å; N415-E554 WeakPolarHBondContact OD1-CB 3.31Å
416	P	88.1	Confident	89.8	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.039	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.2	-179	27.1	-33	0	0	0	114.1	I414 C418 R425 Y549 E554 A555 L558	I414-P416 WeakPolarHBondContact O-CD 3.37Å; P416-C418 VanDerWaalsContact C-N 3.33Å; P416-R425 WeakPolarHBondContact O-CD 3.43Å; P416-Y549 HydrophobicContact CB-CE2 3.95Å; P416-Y549 WeakPolarHBondContact CB-OH 3.49Å; P416-Y549 HydrophobicContact CG-CE2 4.08Å; P416-E554 HydrophobicContact CG-CB 4.48Å; P416-A555 HydrophobicContact CG-CB 4.1Å; P416-L558 HydrophobicContact CB-CD2 3.75Å; P416-L558 HydrophobicContact CG-CD2 4.24Å
417	L	91.4	Very high	90.5	Very high	33 Å²	33	32.2 Å²	32.2	17%	0.173	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	8.9	177.2	-52.1	-178.1	0	0	0	112.9	N415 P419 D456 E554 E557 L558	N415-L417 VanDerWaalsContact C-N 3.25Å; N415-L417 PolarHBondContact O-N 3.37Å; N415-L417 WeakPolarHBondContact OD1-CA 3.37Å; N415-L417 WeakPolarHBondContact OD1-CB 3.33Å; N415-L417 PolarHBondContact OD1-N 3.36Å; L417-P419 WeakPolarHBondContact O-CD 3.43Å; L417-D456 HydrophobicContact CD2-CB 3.48Å; L417-D456 VanDerWaalsContact CD2-CB 3.48Å; L417-E554 HydrophobicContact CB-CB 4.47Å; L417-E554 HydrophobicContact CD1-CB 3.82Å; L417-E554 HydrophobicContact CD1-CG 4.36Å; L417-E554 HydrophobicContact CG-CB 4Å; L417-E557 HydrophobicContact CD1-CB 4.33Å; L417-E557 HydrophobicContact CD1-CG 4.15Å; L417-E557 WeakPolarHBondContact CD1-OE2 3.41Å; L417-L558 HydrophobicContact CD2-CB 4.07Å; L417-L558 HydrophobicContact CD2-CD1 4.15Å
418	C	93.2	Very high	91.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.			trans	-66.6	121.4	-179.1	-179.6	0	0	0	0	111.3	C398 C413 N415 P416 S420 Q421 I422	C398-C418 VanDerWaalsContact SG-SG 3.68Å; C413-C418 VanDerWaalsContact SG-SG 3.7Å; N415-C418 HydrophobicContact CB-CB 4.37Å; N415-C418 VanDerWaalsContact O-CB 3.25Å; N415-C418 WeakPolarHBondContact O-CB 3.39Å; N415-C418 PolarHBondContact O-N 2.82Å; P416-C418 VanDerWaalsContact C-N 3.33Å; C418-S420 PolarHBondContact O-N 3.47Å; C418-S420 VanDerWaalsContact O-N 3.17Å; C418-Q421 HydrophobicContact CB-CB 4.4Å; C418-Q421 HydrophobicContact CB-CG 4.28Å; C418-Q421 PolarHBondContact O-N 2.95Å; C418-I422 PolarHBondContact O-N 3.28Å
419	P	89.1	Confident	92.1	Very high	61 Å²	61	28.6 Å²	28.6	40%	0.396	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.5	-173.5	25.2	-32	0	0	0	112.5	L417 Q421 I422	L417-P419 WeakPolarHBondContact O-CD 3.43Å; P419-Q421 PolarHBondContact O-N 3.36Å; P419-I422 WeakPolarHBondContact O-CG2 3.32Å
420	S	89.9	Confident	92.6	Very high	45 Å²	45	25.4 Å²	25.4	32%	0.315	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.5	173.7	-65.7	0	0	0	0	114	S397 C418	S397-S420 VanDerWaalsContact CB-OG 3.28Å; S397-S420 WeakPolarHBondContact CB-OG 3.13Å; S397-S420 WeakPolarHBondContact OG-CB 3.42Å; S397-S420 PolarHBondContact OG-OG 2.64Å; C418-S420 PolarHBondContact O-N 3.47Å; C418-S420 VanDerWaalsContact O-N 3.17Å
421	Q	91.8	Very high	92.9	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.019	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-15.3	-175.1	-62.7	-176.6	65.5	0	0	113.6	C413 C418 P419 Q423 E424 R425	C413-Q421 PolarHBondContact O-NE2 2.75Å; C418-Q421 HydrophobicContact CB-CB 4.4Å; C418-Q421 HydrophobicContact CB-CG 4.28Å; C418-Q421 PolarHBondContact O-N 2.95Å; P419-Q421 PolarHBondContact O-N 3.36Å; Q421-Q423 VanDerWaalsContact C-N 3.33Å; Q421-Q423 PolarHBondContact O-N 3.32Å; Q421-E424 PolarHBondContact O-N 3.25Å; Q421-E424 VanDerWaalsContact O-N 3.11Å; Q421-R425 HydrophobicContact CB-CG 4.23Å; Q421-R425 WeakPolarHBondContact O-CG 3.19Å; Q421-R425 PolarHBondContact O-N 2.73Å
422	I	90.9	Very high	92.7	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-51.9	-46	-171.4	-167.5	-162.7	0	0	0	113.6	C418 P419 E424 R425 L426 F449 V454 H455	C418-I422 PolarHBondContact O-N 3.28Å; P419-I422 WeakPolarHBondContact O-CG2 3.32Å; I422-E424 VanDerWaalsContact C-N 3.33Å; I422-E424 PolarHBondContact O-N 3.33Å; I422-R425 PolarHBondContact O-N 3.33Å; I422-L426 VanDerWaalsContact O-CB 3.26Å; I422-L426 WeakPolarHBondContact O-CB 3.35Å; I422-L426 PolarHBondContact O-N 3.16Å; I422-F449 HydrophobicContact CD1-CD2 4.1Å; I422-F449 HydrophobicContact CG2-CD2 3.39Å; I422-F449 HydrophobicContact CG2-CE2 3.34Å; I422-F449 HydrophobicContact CG2-CG 4.34Å; I422-F449 HydrophobicContact CG2-CZ 4.24Å; I422-V454 HydrophobicContact CD1-CB 4.28Å; I422-V454 HydrophobicContact CD1-CG2 4Å; I422-V454 WeakPolarHBondContact CD1-O 3.4Å; I422-H455 VanDerWaalsContact CD1-CA 3.44Å; I422-H455 WeakPolarHBondContact CD1-O 3.34Å; I422-H455 WeakPolarHBondContact CG1-O 3.49Å
423	Q	90.6	Very high	92.7	Very high	66 Å²	66	35.9 Å²	35.9	31%	0.308	18%	0.181	S	C	.	.	H	α-helix	trans	-63.7	-39.8	-176.7	-72.2	178.8	68.2	0	0	112.2	Q421 T427 V445 F449	Q421-Q423 VanDerWaalsContact C-N 3.33Å; Q421-Q423 PolarHBondContact O-N 3.32Å; Q423-T427 VanDerWaalsContact O-CB 3.3Å; Q423-T427 WeakPolarHBondContact O-CB 3.48Å; Q423-T427 PolarHBondContact O-N 3.02Å; Q423-T427 VanDerWaalsContact O-N 3.08Å; Q423-T427 PolarHBondContact O-OG1 3.28Å; Q423-V445 HydrophobicContact CB-CG1 4.01Å; Q423-V445 HydrophobicContact CG-CG1 4.12Å; Q423-V445 WeakPolarHBondContact O-CG1 3.39Å; Q423-F449 HydrophobicContact CG-CB 3.94Å; Q423-F449 HydrophobicContact CG-CD1 4.05Å; Q423-F449 HydrophobicContact CG-CD2 4.38Å; Q423-F449 HydrophobicContact CG-CG 3.84Å
424	E	91.3	Very high	92.7	Very high	80 Å²	80	35.9 Å²	35.9	37%	0.374	18%	0.181	S	C	.	.	H	α-helix	trans	-72.2	-44	177.8	-171	65.8	-158.6	0	0	110.6	R321 Q421 I422 L426 T427 H428	R321-E424 HydrophobicContact CB-CB 4.06Å; R321-E424 HydrophobicContact CB-CG 4.48Å; R321-E424 WeakPolarHBondContact O-CB 3.45Å; Q421-E424 PolarHBondContact O-N 3.25Å; Q421-E424 VanDerWaalsContact O-N 3.11Å; I422-E424 VanDerWaalsContact C-N 3.33Å; I422-E424 PolarHBondContact O-N 3.33Å; E424-L426 PolarHBondContact O-N 2.69Å; E424-T427 PolarHBondContact O-N 3.22Å; E424-H428 WeakPolarHBondContact O-CB 3.42Å; E424-H428 PolarHBondContact O-N 2.62Å
425	R	92.8	Very high	93	Very high	35 Å²	35	35 Å²	35	13%	0.132	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-47.3	176.8	-72.5	-175.1	-179.5	-74	-6.5	111.5	P416 Q421 I422 H428 F429 V457 L501	P416-R425 WeakPolarHBondContact O-CD 3.43Å; Q421-R425 HydrophobicContact CB-CG 4.23Å; Q421-R425 WeakPolarHBondContact O-CG 3.19Å; Q421-R425 PolarHBondContact O-N 2.73Å; I422-R425 PolarHBondContact O-N 3.33Å; R425-H428 PolarHBondContact O-N 3.41Å; R425-F429 VanDerWaalsContact O-CB 3.22Å; R425-F429 WeakPolarHBondContact O-CB 3.15Å; R425-F429 PolarHBondContact O-N 2.97Å; R425-V457 HydrophobicContact CB-CG1 4.17Å; R425-L501 PolarHBondContact NH1-O 3.03Å
426	L	94.7	Very high	93.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-38.1	-179.6	-176.1	56	0	0	0	112	I422 E424 H428 F429 A430 L440 V445 V454 V457 I460	I422-L426 VanDerWaalsContact O-CB 3.26Å; I422-L426 WeakPolarHBondContact O-CB 3.35Å; I422-L426 PolarHBondContact O-N 3.16Å; E424-L426 PolarHBondContact O-N 2.69Å; L426-H428 VanDerWaalsContact C-N 3.34Å; L426-H428 PolarHBondContact O-N 3.34Å; L426-F429 HydrophobicContact CD1-CD1 4.43Å; L426-F429 PolarHBondContact O-N 3.31Å; L426-A430 VanDerWaalsContact O-CB 3.3Å; L426-A430 WeakPolarHBondContact O-CB 3.38Å; L426-A430 PolarHBondContact O-N 3Å; L426-L440 HydrophobicContact CD1-CD2 4.21Å; L426-V445 HydrophobicContact CB-CG1 4.09Å; L426-V445 HydrophobicContact CB-CG2 4.35Å; L426-V445 HydrophobicContact CD2-CB 4.48Å; L426-V445 HydrophobicContact CD2-CG1 4.06Å; L426-V445 HydrophobicContact CD2-CG2 3.99Å; L426-V445 HydrophobicContact CG-CG1 4.27Å; L426-V445 HydrophobicContact CG-CG2 3.85Å; L426-V454 HydrophobicContact CD2-CG2 4.16Å; L426-V457 HydrophobicContact CB-CG1 4.21Å; L426-V457 HydrophobicContact CD1-CB 4.32Å; L426-V457 HydrophobicContact CD1-CG1 4.19Å; L426-I460 HydrophobicContact CD1-CD1 3.98Å; L426-I460 HydrophobicContact CD1-CG2 3.57Å; L426-I460 HydrophobicContact CD2-CG2 3.78Å; L426-I460 HydrophobicContact CG-CG2 4.33Å
427	T	94.4	Very high	93.6	Very high	36 Å²	36	38.5 Å²	38.5	22%	0.221	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-44.7	172.8	-62.8	0	0	0	0	111.2	Q423 E424 S431 P442	Q423-T427 VanDerWaalsContact O-CB 3.3Å; Q423-T427 WeakPolarHBondContact O-CB 3.48Å; Q423-T427 PolarHBondContact O-N 3.02Å; Q423-T427 VanDerWaalsContact O-N 3.08Å; Q423-T427 PolarHBondContact O-OG1 3.28Å; E424-T427 PolarHBondContact O-N 3.22Å; T427-S431 PolarHBondContact O-N 2.97Å; T427-P442 HydrophobicContact CG2-CB 4.4Å; T427-P442 HydrophobicContact CG2-CG 3.74Å
428	H	95.3	Very high	93.5	Very high	55 Å²	55	42.1 Å²	42.1	26%	0.255	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-44.1	176.8	178.7	69	0	0	0	111.9	E424 R425 L426 A430 S431 A434 F499 G500	E424-H428 WeakPolarHBondContact O-CB 3.42Å; E424-H428 PolarHBondContact O-N 2.62Å; R425-H428 PolarHBondContact O-N 3.41Å; L426-H428 VanDerWaalsContact C-N 3.34Å; L426-H428 PolarHBondContact O-N 3.34Å; H428-A430 VanDerWaalsContact C-N 3.33Å; H428-A430 PolarHBondContact O-N 3.16Å; H428-S431 WeakPolarHBondContact O-CB 3.48Å; H428-S431 PolarHBondContact O-N 2.84Å; H428-S431 PolarHBondContact O-OG 3.49Å; H428-A434 WeakPolarHBondContact O-CB 3.39Å; H428-F499 PolarHBondContact CD2-O 3.48Å; H428-F499 AromaticContact CE1-CE1 3.82Å; H428-F499 AromaticContact CE1-CE2 3.59Å; H428-F499 AromaticContact CE1-CZ 3.41Å; H428-F499 VanDerWaalsContact CE1-CZ 3.41Å; H428-F499 WeakPolarHBondContact CE1-CZ 3.25Å; H428-F499 AromaticContact NE2-CE2 3.97Å; H428-F499 PolarHBondContact NE2-O 2.88Å; H428-G500 PolarHBondContact CD2-O 2.89Å
429	F	97.3	Very high	93.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-44.4	177	-172.1	-92.8	0	0	0	111.6	R425 L426 S431 A434 M435 I437 V457 I460 Y461 L497 L562	R425-F429 VanDerWaalsContact O-CB 3.22Å; R425-F429 WeakPolarHBondContact O-CB 3.15Å; R425-F429 PolarHBondContact O-N 2.97Å; L426-F429 HydrophobicContact CD1-CD1 4.43Å; L426-F429 PolarHBondContact O-N 3.31Å; F429-S431 VanDerWaalsContact C-N 3.26Å; F429-S431 PolarHBondContact O-N 3.07Å; F429-A434 VanDerWaalsContact O-CB 3.27Å; F429-A434 WeakPolarHBondContact O-CB 3.26Å; F429-M435 HydrophobicContact CD1-CB 4.21Å; F429-M435 HydrophobicContact CD1-CG 3.91Å; F429-M435 HydrophobicContact CD2-CG 4.22Å; F429-M435 HydrophobicContact CE1-CB 4.06Å; F429-M435 HydrophobicContact CE1-CG 3.56Å; F429-M435 HydrophobicContact CE2-CG 3.9Å; F429-M435 HydrophobicContact CG-CG 4.23Å; F429-M435 HydrophobicContact CZ-CE 4.45Å; F429-M435 HydrophobicContact CZ-CG 3.56Å; F429-M435 VanDerWaalsContact O-CB 3.25Å; F429-M435 WeakPolarHBondContact O-CB 3.36Å; F429-M435 PolarHBondContact O-N 3.12Å; F429-I437 HydrophobicContact CD1-CD1 4.33Å; F429-I437 HydrophobicContact CE1-CD1 4.33Å; F429-V457 HydrophobicContact CB-CG1 4.17Å; F429-V457 HydrophobicContact CD1-CB 4.39Å; F429-V457 HydrophobicContact CD2-CB 4.13Å; F429-V457 HydrophobicContact CD2-CG1 4.46Å; F429-V457 HydrophobicContact CD2-CG2 4.06Å; F429-V457 HydrophobicContact CE2-CB 4.42Å; F429-V457 HydrophobicContact CE2-CG2 4.08Å; F429-V457 HydrophobicContact CG-CB 4.12Å; F429-V457 HydrophobicContact CG-CG1 4.3Å; F429-I460 HydrophobicContact CD1-CD1 4.06Å; F429-I460 HydrophobicContact CE1-CD1 3.84Å; F429-Y461 HydrophobicContact CE1-CE2 4.11Å; F429-Y461 HydrophobicContact CZ-CE2 4.11Å; F429-L497 HydrophobicContact CE2-CD1 3.73Å; F429-L497 HydrophobicContact CZ-CD1 4.07Å; F429-L562 HydrophobicContact CZ-CD2 4.15Å
430	A	97	Very high	93.7	Very high	7 Å²	7	41.8 Å²	41.8	6%	0.058	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.7	177.7	0	0	0	0	0	114.4	L426 H428 I437 L440	L426-A430 VanDerWaalsContact O-CB 3.3Å; L426-A430 WeakPolarHBondContact O-CB 3.38Å; L426-A430 PolarHBondContact O-N 3Å; H428-A430 VanDerWaalsContact C-N 3.33Å; H428-A430 PolarHBondContact O-N 3.16Å; A430-I437 HydrophobicContact CB-CB 4.09Å; A430-I437 PolarHBondContact O-N 2.91Å; A430-L440 HydrophobicContact CB-CB 3.91Å; A430-L440 HydrophobicContact CB-CD2 3.97Å; A430-L440 HydrophobicContact CB-CG 3.96Å; A430-L440 WeakPolarHBondContact CB-O 3.27Å
431	S	95.9	Very high	93.7	Very high	39 Å²	39	40.9 Å²	40.9	27%	0.273	22%	0.223	S	C	.	.	S	Bend	trans	-62.2	157	-173.9	76.2	0	0	0	0	112.9	T427 H428 F429 D433 A434 N436	T427-S431 PolarHBondContact O-N 2.97Å; H428-S431 WeakPolarHBondContact O-CB 3.48Å; H428-S431 PolarHBondContact O-N 2.84Å; H428-S431 PolarHBondContact O-OG 3.49Å; F429-S431 VanDerWaalsContact C-N 3.26Å; F429-S431 PolarHBondContact O-N 3.07Å; S431-D433 PolarHBondContact O-N 3.02Å; S431-A434 CarbonylContact O-C 3.59Å; S431-A434 PolarHBondContact O-N 2.69Å; S431-A434 WeakPolarHBondContact OG-CB 3.37Å; S431-N436 WeakPolarHBondContact O-CA 3.45Å; S431-N436 PolarHBondContact O-N 2.85Å
432	R	91.1	Very high	93.6	Very high	185 Å²	185	44.9 Å²	44.9	70%	0.698	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-39.1	-177.2	-174.2	-174	68.1	-166.4	-4.5	113.6	A434	R432-A434 VanDerWaalsContact C-N 3.32Å
433	D	92	Very high	93.6	Very high	74 Å²	74	48.5 Å²	48.5	40%	0.396	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.6	-175.8	-65.2	-31.3	0	0	0	112.2	S431 K496 F499	S431-D433 PolarHBondContact O-N 3.02Å; D433-K496 WeakPolarHBondContact O-CD 3.39Å; D433-K496 PolarHBondContact O-NZ 3.08Å; D433-F499 VanDerWaalsContact C-CD1 3.48Å; D433-F499 HydrophobicContact CB-CD1 4.2Å; D433-F499 HydrophobicContact CB-CE1 3.61Å; D433-F499 HydrophobicContact CB-CZ 4.49Å; D433-F499 WeakPolarHBondContact O-CD1 3.49Å
434	A	96.1	Very high	93.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-128.3	172.7	0	0	0	0	0	110.6	H428 F429 S431 R432 N436 K496 F499	H428-A434 WeakPolarHBondContact O-CB 3.39Å; F429-A434 VanDerWaalsContact O-CB 3.27Å; F429-A434 WeakPolarHBondContact O-CB 3.26Å; S431-A434 CarbonylContact O-C 3.59Å; S431-A434 PolarHBondContact O-N 2.69Å; S431-A434 WeakPolarHBondContact OG-CB 3.37Å; R432-A434 VanDerWaalsContact C-N 3.32Å; A434-N436 PolarHBondContact O-N 3.45Å; A434-N436 VanDerWaalsContact O-N 3.16Å; A434-K496 WeakPolarHBondContact O-CB 3.38Å; A434-K496 WeakPolarHBondContact O-CD 3.44Å; A434-F499 HydrophobicContact CB-CD1 3.73Å; A434-F499 HydrophobicContact CB-CE1 4.2Å
435	M	97.8	Very high	93.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.1	-175.8	-58.7	-58.5	-79.5	0	0	114	F429 I437 Y461 S489 N492 K496 L497 V567	F429-M435 HydrophobicContact CD1-CB 4.21Å; F429-M435 HydrophobicContact CD1-CG 3.91Å; F429-M435 HydrophobicContact CD2-CG 4.22Å; F429-M435 HydrophobicContact CE1-CB 4.06Å; F429-M435 HydrophobicContact CE1-CG 3.56Å; F429-M435 HydrophobicContact CE2-CG 3.9Å; F429-M435 HydrophobicContact CG-CG 4.23Å; F429-M435 HydrophobicContact CZ-CE 4.45Å; F429-M435 HydrophobicContact CZ-CG 3.56Å; F429-M435 VanDerWaalsContact O-CB 3.25Å; F429-M435 WeakPolarHBondContact O-CB 3.36Å; F429-M435 PolarHBondContact O-N 3.12Å; M435-I437 VanDerWaalsContact C-N 3.32Å; M435-I437 HydrophobicContact CB-CD1 4.18Å; M435-I437 HydrophobicContact CB-CG1 4.03Å; M435-I437 PolarHBondContact O-N 3Å; M435-Y461 WeakPolarHBondContact CE-OH 3.15Å; M435-S489 WeakPolarHBondContact CE-O 3.48Å; M435-S489 WeakPolarHBondContact O-CB 3.42Å; M435-N492 HydrophobicContact CE-CB 4.22Å; M435-N492 PolarHBondContact O-ND2 3.39Å; M435-N492 HydrophobicContact SD-CB 4.33Å; M435-K496 HydrophobicContact SD-CB 4.16Å; M435-L497 HydrophobicContact CE-CD1 4.45Å; M435-L497 VanDerWaalsContact SD-CA 3.5Å; M435-L497 HydrophobicContact SD-CB 3.95Å; M435-L497 HydrophobicContact SD-CD1 4.29Å; M435-L497 PolarHBondContact SD-N 3.32Å; M435-V567 HydrophobicContact CE-CG1 3.93Å
436	N	95.6	Very high	93.6	Very high	79 Å²	79	47.5 Å²	47.5	42%	0.422	27%	0.27	S	S	.	.			trans	52.7	45.4	168	-170.3	37.9	0	0	0	113.9	S431 A434 T438	S431-N436 WeakPolarHBondContact O-CA 3.45Å; S431-N436 PolarHBondContact O-N 2.85Å; A434-N436 PolarHBondContact O-N 3.45Å; A434-N436 VanDerWaalsContact O-N 3.16Å; N436-T438 PolarHBondContact O-N 3.06Å; N436-T438 VanDerWaalsContact O-N 3.12Å
437	I	97.1	Very high	93.5	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	28%	0.284	C	S	.	.			trans	-85.3	92.6	-175.6	-53.2	178.4	0	0	0	108.7	F429 A430 M435 G439 L440 I460 L482 A485 I486	F429-I437 HydrophobicContact CD1-CD1 4.33Å; F429-I437 HydrophobicContact CE1-CD1 4.33Å; A430-I437 HydrophobicContact CB-CB 4.09Å; A430-I437 PolarHBondContact O-N 2.91Å; M435-I437 VanDerWaalsContact C-N 3.32Å; M435-I437 HydrophobicContact CB-CD1 4.18Å; M435-I437 HydrophobicContact CB-CG1 4.03Å; M435-I437 PolarHBondContact O-N 3Å; I437-G439 PolarHBondContact O-N 3.06Å; I437-L440 HydrophobicContact CB-CB 4.08Å; I437-L440 HydrophobicContact CB-CD2 4.38Å; I437-L440 HydrophobicContact CD1-CD2 4.12Å; I437-L440 HydrophobicContact CG2-CB 3.69Å; I437-L440 HydrophobicContact CG2-CD2 4.02Å; I437-L440 PolarHBondContact O-N 3.31Å; I437-I460 HydrophobicContact CD1-CD1 3.59Å; I437-L482 HydrophobicContact CG2-CD1 4.25Å; I437-A485 HydrophobicContact CG2-CB 4.19Å; I437-I486 HydrophobicContact CG2-CG1 3.7Å
438	T	90.3	Very high	93.4	Very high	108 Å²	108	49.1 Å²	49.1	66%	0.663	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	124.5	-179.9	-62.5	0	0	0	0	110.7	N436 A485	N436-T438 PolarHBondContact O-N 3.06Å; N436-T438 VanDerWaalsContact O-N 3.12Å; T438-A485 WeakPolarHBondContact O-CB 3.47Å
439	G	91.1	Very high	93.2	Very high	50 Å²	50	49.9 Å²	49.9	52%	0.515	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	-17.3	-178.7	0	0	0	0	0	114.2	I437 G441 I444	I437-G439 PolarHBondContact O-N 3.06Å; G439-G441 VanDerWaalsContact C-N 3.29Å; G439-G441 PolarHBondContact O-N 3.49Å; G439-G441 VanDerWaalsContact O-N 3.16Å; G439-I444 WeakPolarHBondContact O-CG1 3.48Å
440	L	93.8	Very high	92.8	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	31%	0.314	C	S	.	.			trans	-91.1	56.6	178.3	-166.4	56.3	0	0	0	111.8	L426 A430 I437 I444 V445 L448 I460 L482	L426-L440 HydrophobicContact CD1-CD2 4.21Å; A430-L440 HydrophobicContact CB-CB 3.91Å; A430-L440 HydrophobicContact CB-CD2 3.97Å; A430-L440 HydrophobicContact CB-CG 3.96Å; A430-L440 WeakPolarHBondContact CB-O 3.27Å; I437-L440 HydrophobicContact CB-CB 4.08Å; I437-L440 HydrophobicContact CB-CD2 4.38Å; I437-L440 HydrophobicContact CD1-CD2 4.12Å; I437-L440 HydrophobicContact CG2-CB 3.69Å; I437-L440 HydrophobicContact CG2-CD2 4.02Å; I437-L440 PolarHBondContact O-N 3.31Å; L440-I444 HydrophobicContact CD1-CB 4.36Å; L440-I444 HydrophobicContact CD1-CG2 3.89Å; L440-V445 HydrophobicContact CD1-CG2 4.12Å; L440-V445 HydrophobicContact CG-CG2 4.17Å; L440-L448 HydrophobicContact CD1-CD1 3.59Å; L440-I460 HydrophobicContact CD2-CD1 4.11Å; L440-I460 HydrophobicContact CD2-CG2 4.34Å; L440-L482 HydrophobicContact CB-CD1 3.87Å; L440-L482 HydrophobicContact CD1-CD1 4.41Å
441	G	90.6	Very high	92.6	Very high	27 Å²	27	60.2 Å²	60.2	28%	0.278	33%	0.329	S	S	.	.			trans	-79.2	175.2	177.5	0	0	0	0	0	113.6	G439 S443 I444 V445	G439-G441 VanDerWaalsContact C-N 3.29Å; G439-G441 PolarHBondContact O-N 3.49Å; G439-G441 VanDerWaalsContact O-N 3.16Å; G441-S443 PolarHBondContact O-N 3.46Å; G441-I444 PolarHBondContact O-N 3.14Å; G441-V445 PolarHBondContact O-N 2.9Å
442	P	90.1	Very high	92.4	Very high	87 Å²	87	65.8 Å²	65.8	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-53	-34.7	-177.3	-23.8	28.1	0	0	0	114.6	T427 K446	T427-P442 HydrophobicContact CG2-CB 4.4Å; T427-P442 HydrophobicContact CG2-CG 3.74Å; P442-K446 WeakPolarHBondContact O-CB 3.31Å; P442-K446 PolarHBondContact O-N 3.29Å
443	S	89.8	Confident	92.5	Very high	80 Å²	80	58.9 Å²	58.9	56%	0.559	33%	0.327	S	S	*	.	H	α-helix	trans	-68.4	-36	179.1	57.3	0	0	0	0	112.9	G441 K447	G441-S443 PolarHBondContact O-N 3.46Å; S443-K447 WeakPolarHBondContact O-CG 3.39Å; S443-K447 PolarHBondContact O-N 3.13Å
444	I	92.6	Very high	92.5	Very high	22 Å²	22	55.5 Å²	55.5	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-78.2	-41.5	178.7	-56.1	-45.2	0	0	0	110.1	G439 L440 G441 K446 K447 L448 F474 L482	G439-I444 WeakPolarHBondContact O-CG1 3.48Å; L440-I444 HydrophobicContact CD1-CB 4.36Å; L440-I444 HydrophobicContact CD1-CG2 3.89Å; G441-I444 PolarHBondContact O-N 3.14Å; I444-K446 VanDerWaalsContact C-N 3.26Å; I444-K446 PolarHBondContact O-N 3.41Å; I444-K447 HydrophobicContact CD1-CD 4.36Å; I444-K447 WeakPolarHBondContact O-CA 3.49Å; I444-K447 WeakPolarHBondContact O-CB 3.19Å; I444-K447 PolarHBondContact O-N 2.89Å; I444-L448 HydrophobicContact CG2-CD1 4.24Å; I444-L448 HydrophobicContact CG2-CG 4.48Å; I444-L448 PolarHBondContact O-N 3.12Å; I444-F474 HydrophobicContact CD1-CE2 3.81Å; I444-F474 HydrophobicContact CD1-CZ 4.04Å; I444-F474 HydrophobicContact CG1-CZ 4.34Å; I444-F474 HydrophobicContact CG2-CE2 4.17Å; I444-F474 HydrophobicContact CG2-CZ 3.86Å; I444-L482 HydrophobicContact CG2-CD2 3.93Å
445	V	92.8	Very high	92.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-53.6	-45.4	172.4	169.8	0	0	0	0	111.2	Q423 L426 L440 G441 K447 L448 F449	Q423-V445 HydrophobicContact CB-CG1 4.01Å; Q423-V445 HydrophobicContact CG-CG1 4.12Å; Q423-V445 WeakPolarHBondContact O-CG1 3.39Å; L426-V445 HydrophobicContact CB-CG1 4.09Å; L426-V445 HydrophobicContact CB-CG2 4.35Å; L426-V445 HydrophobicContact CD2-CB 4.48Å; L426-V445 HydrophobicContact CD2-CG1 4.06Å; L426-V445 HydrophobicContact CD2-CG2 3.99Å; L426-V445 HydrophobicContact CG-CG1 4.27Å; L426-V445 HydrophobicContact CG-CG2 3.85Å; L440-V445 HydrophobicContact CD1-CG2 4.12Å; L440-V445 HydrophobicContact CG-CG2 4.17Å; G441-V445 PolarHBondContact O-N 2.9Å; V445-K447 VanDerWaalsContact C-N 3.3Å; V445-K447 PolarHBondContact O-N 2.72Å; V445-L448 PolarHBondContact O-N 3.45Å; V445-F449 WeakPolarHBondContact O-CB 3.44Å; V445-F449 PolarHBondContact O-N 3.04Å
446	K	89.8	Confident	92	Very high	137 Å²	137	61.5 Å²	61.5	60%	0.596	34%	0.338	S	S	*	.	H	α-helix	trans	-61.5	-35.8	175.6	-174	176.4	-179	179.1	0	113.1	P442 I444 K450	P442-K446 WeakPolarHBondContact O-CB 3.31Å; P442-K446 PolarHBondContact O-N 3.29Å; I444-K446 VanDerWaalsContact C-N 3.26Å; I444-K446 PolarHBondContact O-N 3.41Å; K446-K450 VanDerWaalsContact O-CB 3.27Å; K446-K450 WeakPolarHBondContact O-CB 3.06Å; K446-K450 PolarHBondContact O-N 2.92Å
447	K	92.4	Very high	91.9	Very high	70 Å²	70	58.1 Å²	58.1	30%	0.304	32%	0.32	S	S	.	.	H	α-helix	trans	-69.4	-46.8	177.4	-73.2	178.3	178.8	-173.8	0	111.3	S443 I444 V445 F449 K450 A451 L471 D472	S443-K447 WeakPolarHBondContact O-CG 3.39Å; S443-K447 PolarHBondContact O-N 3.13Å; I444-K447 HydrophobicContact CD1-CD 4.36Å; I444-K447 WeakPolarHBondContact O-CA 3.49Å; I444-K447 WeakPolarHBondContact O-CB 3.19Å; I444-K447 PolarHBondContact O-N 2.89Å; V445-K447 VanDerWaalsContact C-N 3.3Å; V445-K447 PolarHBondContact O-N 2.72Å; K447-F449 PolarHBondContact O-N 2.95Å; K447-K450 PolarHBondContact O-N 2.8Å; K447-A451 WeakPolarHBondContact O-CB 3.09Å; K447-A451 PolarHBondContact O-N 2.82Å; K447-L471 HydrophobicContact CB-CD1 4.45Å; K447-L471 HydrophobicContact CB-CD2 4.36Å; K447-D472 PolarHBondContact NZ-O 3.18Å
448	L	93.7	Very high	91.8	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.7	-47.5	176.4	-71.3	167.4	0	0	0	111.3	L440 I444 V445 K450 A451 E452 L453 V454 L463 L468 L471	L440-L448 HydrophobicContact CD1-CD1 3.59Å; I444-L448 HydrophobicContact CG2-CD1 4.24Å; I444-L448 HydrophobicContact CG2-CG 4.48Å; I444-L448 PolarHBondContact O-N 3.12Å; V445-L448 PolarHBondContact O-N 3.45Å; L448-K450 PolarHBondContact O-N 3.44Å; L448-A451 CarbonylContact O-C 3.58Å; L448-A451 PolarHBondContact O-N 2.83Å; L448-E452 PolarHBondContact O-N 3.24Å; L448-L453 HydrophobicContact CD2-CB 4.19Å; L448-L453 HydrophobicContact CD2-CD1 3.98Å; L448-L453 PolarHBondContact O-N 2.92Å; L448-L453 VanDerWaalsContact O-N 3.09Å; L448-V454 HydrophobicContact CB-CG1 4.21Å; L448-V454 HydrophobicContact CB-CG2 3.7Å; L448-V454 HydrophobicContact CD1-CG1 4.48Å; L448-L463 HydrophobicContact CD1-CD1 4.18Å; L448-L463 HydrophobicContact CD2-CD1 3.75Å; L448-L463 HydrophobicContact CD2-CD2 4.24Å; L448-L468 HydrophobicContact CD2-CD2 4.07Å; L448-L471 HydrophobicContact CD2-CD1 3.73Å; L448-L471 HydrophobicContact CG-CD1 4.15Å
449	F	89.6	Confident	92.1	Very high	72 Å²	72	54.6 Å²	54.6	32%	0.316	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-44.4	177.6	-178.4	-104	0	0	0	112.2	I422 Q423 V445 K447 A451 E452	I422-F449 HydrophobicContact CD1-CD2 4.1Å; I422-F449 HydrophobicContact CG2-CD2 3.39Å; I422-F449 HydrophobicContact CG2-CE2 3.34Å; I422-F449 HydrophobicContact CG2-CG 4.34Å; I422-F449 HydrophobicContact CG2-CZ 4.24Å; Q423-F449 HydrophobicContact CG-CB 3.94Å; Q423-F449 HydrophobicContact CG-CD1 4.05Å; Q423-F449 HydrophobicContact CG-CD2 4.38Å; Q423-F449 HydrophobicContact CG-CG 3.84Å; V445-F449 WeakPolarHBondContact O-CB 3.44Å; V445-F449 PolarHBondContact O-N 3.04Å; K447-F449 PolarHBondContact O-N 2.95Å; F449-A451 VanDerWaalsContact C-N 3.27Å; F449-A451 PolarHBondContact O-N 3.06Å; F449-E452 PolarHBondContact O-N 3.1Å; F449-E452 VanDerWaalsContact O-N 3.08Å
450	K	89.4	Confident	92.4	Very high	178 Å²	178	52.2 Å²	52.2	77%	0.774	27%	0.273	S	S	*	.	H	α-helix	trans	-65.3	-31	177.5	-175.8	-178.3	176	-169.8	0	112.7	K446 K447 L448	K446-K450 VanDerWaalsContact O-CB 3.27Å; K446-K450 WeakPolarHBondContact O-CB 3.06Å; K446-K450 PolarHBondContact O-N 2.92Å; K447-K450 PolarHBondContact O-N 2.8Å; L448-K450 PolarHBondContact O-N 3.44Å
451	A	92.1	Very high	92.6	Very high	46 Å²	46	52.4 Å²	52.4	38%	0.38	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	2.3	176	0	0	0	0	0	112.8	K447 L448 F449 L453 L471	K447-A451 WeakPolarHBondContact O-CB 3.09Å; K447-A451 PolarHBondContact O-N 2.82Å; L448-A451 CarbonylContact O-C 3.58Å; L448-A451 PolarHBondContact O-N 2.83Å; F449-A451 VanDerWaalsContact C-N 3.27Å; F449-A451 PolarHBondContact O-N 3.06Å; A451-L453 HydrophobicContact CB-CD1 3.93Å; A451-L453 HydrophobicContact CB-CG 3.92Å; A451-L453 PolarHBondContact O-N 3.3Å; A451-L471 HydrophobicContact CB-CD2 3.75Å
452	E	91.9	Very high	92.8	Very high	155 Å²	155	57.2 Å²	57.2	72%	0.724	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	28.8	-178.3	-59.1	178.8	176.4	0	0	113	L448 F449 H455	L448-E452 PolarHBondContact O-N 3.24Å; F449-E452 PolarHBondContact O-N 3.1Å; F449-E452 VanDerWaalsContact O-N 3.08Å; E452-H455 PolarHBondContact O-CE1 3Å
453	L	93.7	Very high	93.1	Very high	40 Å²	40	53.4 Å²	53.4	21%	0.209	26%	0.263	C	S	.	.			trans	-86.7	-12.9	179.5	-69.9	173.9	0	0	0	113	L448 A451 L463 D467 L471	L448-L453 HydrophobicContact CD2-CB 4.19Å; L448-L453 HydrophobicContact CD2-CD1 3.98Å; L448-L453 PolarHBondContact O-N 2.92Å; L448-L453 VanDerWaalsContact O-N 3.09Å; A451-L453 HydrophobicContact CB-CD1 3.93Å; A451-L453 HydrophobicContact CB-CG 3.92Å; A451-L453 PolarHBondContact O-N 3.3Å; L453-L463 HydrophobicContact CB-CD2 3.93Å; L453-D467 HydrophobicContact CD1-CB 4.2Å; L453-D467 HydrophobicContact CD2-CB 4.18Å; L453-L471 HydrophobicContact CD1-CD2 3.99Å; L453-L471 HydrophobicContact CD1-CG 4.45Å
454	V	93.1	Very high	93.4	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.018	25%	0.253	C	S	.	.			trans	-142.9	131.9	-178.6	-60.7	0	0	0	0	110.7	I422 L426 L448 D459 I460 L463	I422-V454 HydrophobicContact CD1-CB 4.28Å; I422-V454 HydrophobicContact CD1-CG2 4Å; I422-V454 WeakPolarHBondContact CD1-O 3.4Å; L426-V454 HydrophobicContact CD2-CG2 4.16Å; L448-V454 HydrophobicContact CB-CG1 4.21Å; L448-V454 HydrophobicContact CB-CG2 3.7Å; L448-V454 HydrophobicContact CD1-CG1 4.48Å; V454-D459 HydrophobicContact CB-CB 4.1Å; V454-D459 HydrophobicContact CG1-CB 4.08Å; V454-I460 HydrophobicContact CG1-CG2 3.98Å; V454-L463 HydrophobicContact CG1-CD1 4.34Å; V454-L463 HydrophobicContact CG1-CD2 4.46Å
455	H	90.4	Very high	93.5	Very high	114 Å²	114	52.7 Å²	52.7	53%	0.528	26%	0.257	S	S	.	.	S	Bend	trans	-117.3	-25.1	179.4	-54.8	85.9	0	0	0	111.8	I422 E452 D459	I422-H455 VanDerWaalsContact CD1-CA 3.44Å; I422-H455 WeakPolarHBondContact CD1-O 3.34Å; I422-H455 WeakPolarHBondContact CG1-O 3.49Å; E452-H455 PolarHBondContact O-CE1 3Å; H455-D459 WeakPolarHBondContact CB-OD2 3.41Å; H455-D459 IonicContact CG-OD2 2.78Å; H455-D459 PolarHBondContact N-OD2 2.89Å; H455-D459 IonicContact ND1-OD2 3.12Å; H455-D459 PolarHBondContact ND1-OD2 3.35Å; H455-D459 VanDerWaalsContact ND1-OD2 3.12Å
456	D	91.4	Very high	93.7	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.064	29%	0.285	C	S	.	.	S	Bend	trans	-140.2	-168.1	169.4	57.7	62.9	0	0	0	111.2	L417 A458 D459 L558	L417-D456 HydrophobicContact CD2-CB 3.48Å; L417-D456 VanDerWaalsContact CD2-CB 3.48Å; D456-A458 WeakPolarHBondContact OD1-CA 3.28Å; D456-A458 WeakPolarHBondContact OD1-CB 3.33Å; D456-A458 PolarHBondContact OD1-N 3.3Å; D456-D459 PolarHBondContact OD1-N 2.7Å; D456-L558 HydrophobicContact CB-CD1 4.32Å
457	V	93.6	Very high	93.9	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.055	27%	0.27	C	S	.	.	S	Bend	trans	-84.3	-19.8	-179.4	-60.2	0	0	0	0	113.5	R425 L426 F429 I460 L558	R425-V457 HydrophobicContact CB-CG1 4.17Å; L426-V457 HydrophobicContact CB-CG1 4.21Å; L426-V457 HydrophobicContact CD1-CB 4.32Å; L426-V457 HydrophobicContact CD1-CG1 4.19Å; F429-V457 HydrophobicContact CB-CG1 4.17Å; F429-V457 HydrophobicContact CD1-CB 4.39Å; F429-V457 HydrophobicContact CD2-CB 4.13Å; F429-V457 HydrophobicContact CD2-CG1 4.46Å; F429-V457 HydrophobicContact CD2-CG2 4.06Å; F429-V457 HydrophobicContact CE2-CB 4.42Å; F429-V457 HydrophobicContact CE2-CG2 4.08Å; F429-V457 HydrophobicContact CG-CB 4.12Å; F429-V457 HydrophobicContact CG-CG1 4.3Å; V457-I460 VanDerWaalsContact O-CG1 3.31Å; V457-I460 WeakPolarHBondContact O-CG1 3.33Å; V457-L558 HydrophobicContact CG2-CD1 3.77Å; V457-L558 HydrophobicContact CG2-CD2 3.91Å; V457-L558 HydrophobicContact CG2-CG 4.38Å
458	A	96.2	Very high	94.1	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	26%	0.256	C	S	.	.	S	Bend	trans	-76.7	-32	177.7	0	0	0	0	0	111.7	D456 I460 Y461 L558 E561 L562	D456-A458 WeakPolarHBondContact OD1-CA 3.28Å; D456-A458 WeakPolarHBondContact OD1-CB 3.33Å; D456-A458 PolarHBondContact OD1-N 3.3Å; A458-I460 PolarHBondContact O-N 2.97Å; A458-Y461 WeakPolarHBondContact O-CB 3.13Å; A458-Y461 WeakPolarHBondContact O-CD2 2.92Å; A458-Y461 PolarHBondContact O-N 2.78Å; A458-L558 HydrophobicContact CB-CD1 3.84Å; A458-E561 HydrophobicContact CB-CB 3.61Å; A458-L562 HydrophobicContact CB-CD2 3.85Å; A458-L562 HydrophobicContact CB-CG 3.98Å
459	D	96	Very high	94.1	Very high	37 Å²	37	54.7 Å²	54.7	20%	0.198	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-51.4	-30.9	177.5	-88.1	-12.7	0	0	0	114.1	V454 H455 D456 Y461 Q462 L463	V454-D459 HydrophobicContact CB-CB 4.1Å; V454-D459 HydrophobicContact CG1-CB 4.08Å; H455-D459 WeakPolarHBondContact CB-OD2 3.41Å; H455-D459 IonicContact CG-OD2 2.78Å; H455-D459 PolarHBondContact N-OD2 2.89Å; H455-D459 IonicContact ND1-OD2 3.12Å; H455-D459 PolarHBondContact ND1-OD2 3.35Å; H455-D459 VanDerWaalsContact ND1-OD2 3.12Å; D456-D459 PolarHBondContact OD1-N 2.7Å; D459-Y461 PolarHBondContact O-N 2.78Å; D459-Y461 VanDerWaalsContact O-N 3.08Å; D459-Q462 PolarHBondContact O-N 2.85Å; D459-L463 PolarHBondContact O-N 3.16Å
460	I	97.2	Very high	94.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-58.4	-28.4	178.3	71.7	-174.1	0	0	0	112.7	L426 F429 I437 L440 V454 V457 A458 Q462 L463 I486	L426-I460 HydrophobicContact CD1-CD1 3.98Å; L426-I460 HydrophobicContact CD1-CG2 3.57Å; L426-I460 HydrophobicContact CD2-CG2 3.78Å; L426-I460 HydrophobicContact CG-CG2 4.33Å; F429-I460 HydrophobicContact CD1-CD1 4.06Å; F429-I460 HydrophobicContact CE1-CD1 3.84Å; I437-I460 HydrophobicContact CD1-CD1 3.59Å; L440-I460 HydrophobicContact CD2-CD1 4.11Å; L440-I460 HydrophobicContact CD2-CG2 4.34Å; V454-I460 HydrophobicContact CG1-CG2 3.98Å; V457-I460 VanDerWaalsContact O-CG1 3.31Å; V457-I460 WeakPolarHBondContact O-CG1 3.33Å; A458-I460 PolarHBondContact O-N 2.97Å; I460-Q462 VanDerWaalsContact C-N 3.27Å; I460-Q462 PolarHBondContact O-N 2.81Å; I460-L463 HydrophobicContact CB-CD1 4.23Å; I460-L463 HydrophobicContact CG2-CD1 4.49Å; I460-L463 WeakPolarHBondContact O-CB 3.49Å; I460-L463 PolarHBondContact O-N 3.41Å; I460-I486 HydrophobicContact CB-CD1 4.49Å; I460-I486 HydrophobicContact CG1-CG2 4.14Å; I460-I486 WeakPolarHBondContact O-CG2 2.99Å
461	Y	97.8	Very high	94.4	Very high	8 Å²	8	47.5 Å²	47.5	3%	0.031	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-79.4	-11.4	-179	-65.2	-67.5	0	0	0	113.3	F429 M435 A458 D459 I486 S489 K490 L562 A565 V567	F429-Y461 HydrophobicContact CE1-CE2 4.11Å; F429-Y461 HydrophobicContact CZ-CE2 4.11Å; M435-Y461 WeakPolarHBondContact CE-OH 3.15Å; A458-Y461 WeakPolarHBondContact O-CB 3.13Å; A458-Y461 WeakPolarHBondContact O-CD2 2.92Å; A458-Y461 PolarHBondContact O-N 2.78Å; D459-Y461 PolarHBondContact O-N 2.78Å; D459-Y461 VanDerWaalsContact O-N 3.08Å; Y461-I486 HydrophobicContact CD1-CG2 3.49Å; Y461-I486 VanDerWaalsContact CD1-CG2 3.49Å; Y461-I486 HydrophobicContact CE1-CG2 3.83Å; Y461-I486 VanDerWaalsContact CE1-O 3.28Å; Y461-I486 WeakPolarHBondContact CE1-O 3.3Å; Y461-I486 HydrophobicContact CG-CG2 4.32Å; Y461-S489 WeakPolarHBondContact CE1-OG 3.45Å; Y461-S489 PolarHBondContact OH-OG 3.4Å; Y461-S489 VanDerWaalsContact OH-OG 3.13Å; Y461-K490 HydrophobicContact CD1-CD 4.12Å; Y461-K490 HydrophobicContact CD1-CG 3.72Å; Y461-K490 HydrophobicContact CE1-CD 4.37Å; Y461-K490 HydrophobicContact CE1-CG 3.47Å; Y461-K490 VanDerWaalsContact CE1-CG 3.47Å; Y461-L562 HydrophobicContact CD2-CD2 4.14Å; Y461-L562 HydrophobicContact CE2-CD2 3.77Å; Y461-A565 HydrophobicContact CD2-CB 4.29Å; Y461-A565 HydrophobicContact CG-CB 4.19Å; Y461-V567 HydrophobicContact CD2-CG2 3.9Å; Y461-V567 HydrophobicContact CE1-CG2 4.22Å; Y461-V567 HydrophobicContact CE2-CG2 3.46Å; Y461-V567 VanDerWaalsContact CE2-CG2 3.46Å; Y461-V567 HydrophobicContact CG-CG2 4.46Å
462	Q	95.3	Very high	94.2	Very high	128 Å²	128	51.9 Å²	51.9	60%	0.598	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-93.3	-12.1	172.8	-56.1	-56.1	-32.2	0	0	112.7	D459 I460 T464	D459-Q462 PolarHBondContact O-N 2.85Å; I460-Q462 VanDerWaalsContact C-N 3.27Å; I460-Q462 PolarHBondContact O-N 2.81Å; Q462-T464 PolarHBondContact O-N 2.82Å
463	L	96.4	Very high	93.8	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	27%	0.266	C	S	.	.			trans	-60.1	133.4	178.1	-66.1	175.8	0	0	0	111.6	L448 L453 V454 D459 I460 D467 L468 Y483 I486	L448-L463 HydrophobicContact CD1-CD1 4.18Å; L448-L463 HydrophobicContact CD2-CD1 3.75Å; L448-L463 HydrophobicContact CD2-CD2 4.24Å; L453-L463 HydrophobicContact CB-CD2 3.93Å; V454-L463 HydrophobicContact CG1-CD1 4.34Å; V454-L463 HydrophobicContact CG1-CD2 4.46Å; D459-L463 PolarHBondContact O-N 3.16Å; I460-L463 HydrophobicContact CB-CD1 4.23Å; I460-L463 HydrophobicContact CG2-CD1 4.49Å; I460-L463 WeakPolarHBondContact O-CB 3.49Å; I460-L463 PolarHBondContact O-N 3.41Å; L463-D467 HydrophobicContact CD2-CB 4.28Å; L463-L468 HydrophobicContact CD1-CD2 4.2Å; L463-Y483 WeakPolarHBondContact O-CD2 3.46Å; L463-Y483 VanDerWaalsContact O-CE2 3.24Å; L463-Y483 WeakPolarHBondContact O-CE2 3.23Å; L463-I486 HydrophobicContact CD1-CD1 4.4Å
464	T	96.2	Very high	93.6	Very high	56 Å²	56	46.9 Å²	46.9	34%	0.344	26%	0.262	S	S	.	.			trans	-93.7	168	171.5	66.6	0	0	0	0	111.5	Q462 E466 D467 L468	Q462-T464 PolarHBondContact O-N 2.82Å; T464-E466 WeakPolarHBondContact CB-OE2 3.32Å; T464-E466 PolarHBondContact O-N 2.75Å; T464-D467 WeakPolarHBondContact CB-OD2 3.46Å; T464-D467 PolarHBondContact N-OD2 3.43Å; T464-D467 PolarHBondContact O-N 3.26Å; T464-D467 PolarHBondContact OG1-N 3.46Å; T464-D467 VanDerWaalsContact OG1-N 3.14Å; T464-D467 PolarHBondContact OG1-OD2 3.26Å; T464-L468 PolarHBondContact O-N 2.85Å
465	V	95.2	Very high	93.5	Very high	31 Å²	31	54.4 Å²	54.4	19%	0.188	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-34.8	173.5	176.8	0	0	0	0	110.1	L468 L469 A479 E480 Y483	V465-L468 PolarHBondContact O-N 2.78Å; V465-L469 HydrophobicContact CG1-CD1 4.22Å; V465-L469 HydrophobicContact CG1-CG 4.47Å; V465-L469 WeakPolarHBondContact O-CG 3.39Å; V465-L469 PolarHBondContact O-N 3.11Å; V465-A479 HydrophobicContact CG1-CB 3.91Å; V465-E480 HydrophobicContact CG1-CG 4.33Å; V465-Y483 HydrophobicContact CG2-CD1 4.04Å; V465-Y483 HydrophobicContact CG2-CD2 4.16Å; V465-Y483 HydrophobicContact CG2-CG 3.77Å
466	E	95.6	Very high	93.6	Very high	131 Å²	131	55.1 Å²	55.1	61%	0.612	30%	0.298	S	S	*	.	H	α-helix	trans	-63.4	-42.5	177.2	-67.5	71.3	-160.8	0	0	112.1	T464 L468 L469 S470	T464-E466 WeakPolarHBondContact CB-OE2 3.32Å; T464-E466 PolarHBondContact O-N 2.75Å; E466-L468 VanDerWaalsContact C-N 3.29Å; E466-L468 PolarHBondContact O-N 3.4Å; E466-L469 PolarHBondContact O-N 3.23Å; E466-S470 PolarHBondContact O-N 2.67Å; E466-S470 VanDerWaalsContact O-N 3.14Å
467	D	95.9	Very high	93.7	Very high	52 Å²	52	62.3 Å²	62.3	28%	0.278	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-43.3	175.3	-61.6	-43.8	0	0	0	110.7	L453 L463 T464 L469 S470	L453-D467 HydrophobicContact CD1-CB 4.2Å; L453-D467 HydrophobicContact CD2-CB 4.18Å; L463-D467 HydrophobicContact CD2-CB 4.28Å; T464-D467 WeakPolarHBondContact CB-OD2 3.46Å; T464-D467 PolarHBondContact N-OD2 3.43Å; T464-D467 PolarHBondContact O-N 3.26Å; T464-D467 PolarHBondContact OG1-N 3.46Å; T464-D467 VanDerWaalsContact OG1-N 3.14Å; T464-D467 PolarHBondContact OG1-OD2 3.26Å; D467-L469 PolarHBondContact O-N 2.84Å; D467-S470 WeakPolarHBondContact O-CB 3.18Å; D467-S470 PolarHBondContact O-N 3.16Å; D467-S470 PolarHBondContact O-OG 2.79Å
468	L	95	Very high	93.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.3	-35.1	177.6	-63.4	178.5	0	0	0	112.5	L448 L463 T464 V465 E466 S470 L471 F474 A479 L482	L448-L468 HydrophobicContact CD2-CD2 4.07Å; L463-L468 HydrophobicContact CD1-CD2 4.2Å; T464-L468 PolarHBondContact O-N 2.85Å; V465-L468 PolarHBondContact O-N 2.78Å; E466-L468 VanDerWaalsContact C-N 3.29Å; E466-L468 PolarHBondContact O-N 3.4Å; L468-S470 PolarHBondContact O-N 3.44Å; L468-L471 HydrophobicContact CD2-CD1 4.22Å; L468-L471 WeakPolarHBondContact O-CB 3.27Å; L468-L471 PolarHBondContact O-N 2.86Å; L468-L471 VanDerWaalsContact O-N 3.16Å; L468-F474 HydrophobicContact CB-CD1 4.32Å; L468-F474 WeakPolarHBondContact O-CB 3.48Å; L468-F474 WeakPolarHBondContact O-CG 3.4Å; L468-A479 HydrophobicContact CB-CB 3.82Å; L468-A479 HydrophobicContact CD1-CB 4.48Å; L468-A479 WeakPolarHBondContact CD1-O 3.26Å; L468-L482 HydrophobicContact CD1-CB 4.14Å; L468-L482 HydrophobicContact CD1-CD2 4.13Å; L468-L482 HydrophobicContact CD1-CG 4.09Å; L468-L482 HydrophobicContact CD2-CD2 3.89Å
469	L	94.4	Very high	93.5	Very high	67 Å²	67	64 Å²	64	35%	0.351	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-24.1	175.7	-76.6	172.3	0	0	0	113.1	V465 E466 D467 L471 E476 A479	V465-L469 HydrophobicContact CG1-CD1 4.22Å; V465-L469 HydrophobicContact CG1-CG 4.47Å; V465-L469 WeakPolarHBondContact O-CG 3.39Å; V465-L469 PolarHBondContact O-N 3.11Å; E466-L469 PolarHBondContact O-N 3.23Å; D467-L469 PolarHBondContact O-N 2.84Å; L469-L471 PolarHBondContact O-N 3.16Å; L469-E476 HydrophobicContact CD2-CG 4.38Å; L469-A479 HydrophobicContact CD2-CB 4.1Å; L469-A479 HydrophobicContact CG-CB 4.06Å
470	S	93.1	Very high	93.5	Very high	87 Å²	87	66.9 Å²	66.9	61%	0.608	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.9	173.4	81.6	0	0	0	0	112.9	E466 D467 L468	E466-S470 PolarHBondContact O-N 2.67Å; E466-S470 VanDerWaalsContact O-N 3.14Å; D467-S470 WeakPolarHBondContact O-CB 3.18Å; D467-S470 PolarHBondContact O-N 3.16Å; D467-S470 PolarHBondContact O-OG 2.79Å; L468-S470 PolarHBondContact O-N 3.44Å
471	L	91.3	Very high	93.4	Very high	12 Å²	12	74.4 Å²	74.4	6%	0.063	39%	0.385	C	S	.	.	S	Bend	trans	-81.4	133.8	-179.3	-57.2	178.7	0	0	0	111.3	K447 L448 A451 L453 L468 L469 G473 F474	K447-L471 HydrophobicContact CB-CD1 4.45Å; K447-L471 HydrophobicContact CB-CD2 4.36Å; L448-L471 HydrophobicContact CD2-CD1 3.73Å; L448-L471 HydrophobicContact CG-CD1 4.15Å; A451-L471 HydrophobicContact CB-CD2 3.75Å; L453-L471 HydrophobicContact CD1-CD2 3.99Å; L453-L471 HydrophobicContact CD1-CG 4.45Å; L468-L471 HydrophobicContact CD2-CD1 4.22Å; L468-L471 WeakPolarHBondContact O-CB 3.27Å; L468-L471 PolarHBondContact O-N 2.86Å; L468-L471 VanDerWaalsContact O-N 3.16Å; L469-L471 PolarHBondContact O-N 3.16Å; L471-G473 PolarHBondContact O-N 3.22Å; L471-F474 HydrophobicContact CB-CD2 3.72Å; L471-F474 HydrophobicContact CB-CE2 4.24Å; L471-F474 HydrophobicContact CB-CG 4.45Å; L471-F474 HydrophobicContact CD1-CD2 4.31Å; L471-F474 HydrophobicContact CD1-CE2 4.07Å; L471-F474 PolarHBondContact O-N 3.02Å; L471-F474 VanDerWaalsContact O-N 3.15Å
472	D	88.1	Confident	93.3	Very high	138 Å²	138	74.3 Å²	74.3	74%	0.738	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	134.5	174.8	177.9	39.7	0	0	0	111.9	K447 F474	K447-D472 PolarHBondContact NZ-O 3.18Å; D472-F474 VanDerWaalsContact C-N 3.34Å
473	G	84.8	Confident	93.4	Very high	62 Å²	62	71.8 Å²	71.8	64%	0.639	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-2.1	-179	0	0	0	0	0	116	L471	L471-G473 PolarHBondContact O-N 3.22Å
474	F	88.5	Confident	93.4	Very high	28 Å²	28	75.8 Å²	75.8	12%	0.123	39%	0.392	C	S	.	.			trans	-87	140.3	170.1	-82.2	-101.6	0	0	0	111.6	I444 L468 L471 D472 A479 L482	I444-F474 HydrophobicContact CD1-CE2 3.81Å; I444-F474 HydrophobicContact CD1-CZ 4.04Å; I444-F474 HydrophobicContact CG1-CZ 4.34Å; I444-F474 HydrophobicContact CG2-CE2 4.17Å; I444-F474 HydrophobicContact CG2-CZ 3.86Å; L468-F474 HydrophobicContact CB-CD1 4.32Å; L468-F474 WeakPolarHBondContact O-CB 3.48Å; L468-F474 WeakPolarHBondContact O-CG 3.4Å; L471-F474 HydrophobicContact CB-CD2 3.72Å; L471-F474 HydrophobicContact CB-CE2 4.24Å; L471-F474 HydrophobicContact CB-CG 4.45Å; L471-F474 HydrophobicContact CD1-CD2 4.31Å; L471-F474 HydrophobicContact CD1-CE2 4.07Å; L471-F474 PolarHBondContact O-N 3.02Å; L471-F474 VanDerWaalsContact O-N 3.15Å; D472-F474 VanDerWaalsContact C-N 3.34Å; F474-A479 HydrophobicContact CD1-CB 4.1Å; F474-L482 HydrophobicContact CE1-CB 4.24Å; F474-L482 HydrophobicContact CE1-CD2 3.66Å; F474-L482 HydrophobicContact CZ-CD2 3.63Å
475	K	91.5	Very high	93.5	Very high	161 Å²	161	74.2 Å²	74.2	70%	0.7	38%	0.384	S	S	*	.			trans	-125.1	170.1	166.8	-62.7	-173	177.9	-175.2	0	108.5	K477 S478 A479	K475-K477 VanDerWaalsContact C-N 3.31Å; K475-K477 PolarHBondContact O-N 3.45Å; K475-K477 VanDerWaalsContact O-N 3.16Å; K475-S478 PolarHBondContact N-OG 3.02Å; K475-S478 PolarHBondContact O-N 2.98Å; K475-S478 PolarHBondContact O-OG 2.8Å; K475-A479 PolarHBondContact O-N 3.11Å
476	E	92.1	Very high	93.6	Very high	129 Å²	129	72.8 Å²	72.8	60%	0.603	38%	0.376	S	S	*	.	H	α-helix	trans	-50.6	-50.7	-172.9	-59.1	103.2	170.8	0	0	111.9	L469 S478 A479 E480	L469-E476 HydrophobicContact CD2-CG 4.38Å; E476-S478 VanDerWaalsContact C-N 3.33Å; E476-S478 PolarHBondContact O-N 2.83Å; E476-A479 PolarHBondContact O-N 2.9Å; E476-E480 WeakPolarHBondContact O-CB 3.43Å; E476-E480 WeakPolarHBondContact O-CG 3.1Å; E476-E480 PolarHBondContact O-N 3Å
477	K	92.7	Very high	93.7	Very high	164 Å²	164	68.7 Å²	68.7	71%	0.713	36%	0.357	S	S	*	.	H	α-helix	trans	-61.3	-33.9	-179.5	-69.1	-172.8	178.3	-178.5	0	114.8	K475 K481	K475-K477 VanDerWaalsContact C-N 3.31Å; K475-K477 PolarHBondContact O-N 3.45Å; K475-K477 VanDerWaalsContact O-N 3.16Å; K477-K481 WeakPolarHBondContact O-CB 3.49Å; K477-K481 WeakPolarHBondContact O-CG 3.4Å; K477-K481 PolarHBondContact O-N 2.92Å
478	S	91.4	Very high	93.7	Very high	46 Å²	46	70.3 Å²	70.3	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-80.5	-35.5	179.1	59.3	0	0	0	0	111.3	K475 E476 L482	K475-S478 PolarHBondContact N-OG 3.02Å; K475-S478 PolarHBondContact O-N 2.98Å; K475-S478 PolarHBondContact O-OG 2.8Å; E476-S478 VanDerWaalsContact C-N 3.33Å; E476-S478 PolarHBondContact O-N 2.83Å; S478-L482 PolarHBondContact O-N 3.39Å; S478-L482 VanDerWaalsContact O-N 3.07Å
479	A	94.8	Very high	93.9	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-50.2	174.4	0	0	0	0	0	110.7	V465 L468 L469 F474 K475 E476 K481 L482 Y483	V465-A479 HydrophobicContact CG1-CB 3.91Å; L468-A479 HydrophobicContact CB-CB 3.82Å; L468-A479 HydrophobicContact CD1-CB 4.48Å; L468-A479 WeakPolarHBondContact CD1-O 3.26Å; L469-A479 HydrophobicContact CD2-CB 4.1Å; L469-A479 HydrophobicContact CG-CB 4.06Å; F474-A479 HydrophobicContact CD1-CB 4.1Å; K475-A479 PolarHBondContact O-N 3.11Å; E476-A479 PolarHBondContact O-N 2.9Å; A479-K481 VanDerWaalsContact C-N 3.33Å; A479-K481 PolarHBondContact O-N 2.98Å; A479-L482 PolarHBondContact O-N 3.38Å; A479-Y483 WeakPolarHBondContact O-CB 3.28Å; A479-Y483 PolarHBondContact O-N 2.86Å
480	E	95.8	Very high	94	Very high	99 Å²	99	69 Å²	69	46%	0.463	36%	0.36	S	S	.	.	H	α-helix	trans	-57.8	-42.8	175.4	-72.9	172.7	176	0	0	112.2	V465 E476 N484	V465-E480 HydrophobicContact CG1-CG 4.33Å; E476-E480 WeakPolarHBondContact O-CB 3.43Å; E476-E480 WeakPolarHBondContact O-CG 3.1Å; E476-E480 PolarHBondContact O-N 3Å; E480-N484 VanDerWaalsContact O-CB 3.23Å; E480-N484 WeakPolarHBondContact O-CB 3.29Å; E480-N484 PolarHBondContact O-N 2.83Å; E480-N484 PolarHBondContact O-ND2 3.26Å; E480-N484 VanDerWaalsContact O-ND2 3.1Å
481	K	95	Very high	94.2	Very high	158 Å²	158	71.9 Å²	71.9	69%	0.687	36%	0.364	S	S	*	.	H	α-helix	trans	-62.4	-44.9	177.7	-82.1	178.1	-179.9	-171.9	0	112.3	K477 A479 A485	K477-K481 WeakPolarHBondContact O-CB 3.49Å; K477-K481 WeakPolarHBondContact O-CG 3.4Å; K477-K481 PolarHBondContact O-N 2.92Å; A479-K481 VanDerWaalsContact C-N 3.33Å; A479-K481 PolarHBondContact O-N 2.98Å; K481-A485 WeakPolarHBondContact O-CB 3.28Å; K481-A485 PolarHBondContact O-N 3.46Å
482	L	96.3	Very high	94.5	Very high	5 Å²	5	73.3 Å²	73.3	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-68.4	-46.1	178.9	175.7	57.8	0	0	0	110.9	I437 L440 I444 L468 F474 S478 A479 N484 A485 I486	I437-L482 HydrophobicContact CG2-CD1 4.25Å; L440-L482 HydrophobicContact CB-CD1 3.87Å; L440-L482 HydrophobicContact CD1-CD1 4.41Å; I444-L482 HydrophobicContact CG2-CD2 3.93Å; L468-L482 HydrophobicContact CD1-CB 4.14Å; L468-L482 HydrophobicContact CD1-CD2 4.13Å; L468-L482 HydrophobicContact CD1-CG 4.09Å; L468-L482 HydrophobicContact CD2-CD2 3.89Å; F474-L482 HydrophobicContact CE1-CB 4.24Å; F474-L482 HydrophobicContact CE1-CD2 3.66Å; F474-L482 HydrophobicContact CZ-CD2 3.63Å; S478-L482 PolarHBondContact O-N 3.39Å; S478-L482 VanDerWaalsContact O-N 3.07Å; A479-L482 PolarHBondContact O-N 3.38Å; L482-N484 VanDerWaalsContact C-N 3.34Å; L482-N484 PolarHBondContact O-N 2.94Å; L482-A485 PolarHBondContact O-N 2.87Å; L482-A485 VanDerWaalsContact O-N 3.16Å; L482-I486 HydrophobicContact CD1-CD1 4.06Å; L482-I486 HydrophobicContact CD1-CG1 4.23Å; L482-I486 HydrophobicContact CG-CD1 4.02Å; L482-I486 WeakPolarHBondContact O-CG1 3.09Å; L482-I486 PolarHBondContact O-N 3.36Å
483	Y	97.3	Very high	94.9	Very high	76 Å²	76	67.5 Å²	67.5	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-54.5	-50.1	174.6	176.7	-95.3	0	0	0	111.1	L463 V465 A479 A485 I486 Q487	L463-Y483 WeakPolarHBondContact O-CD2 3.46Å; L463-Y483 VanDerWaalsContact O-CE2 3.24Å; L463-Y483 WeakPolarHBondContact O-CE2 3.23Å; V465-Y483 HydrophobicContact CG2-CD1 4.04Å; V465-Y483 HydrophobicContact CG2-CD2 4.16Å; V465-Y483 HydrophobicContact CG2-CG 3.77Å; A479-Y483 WeakPolarHBondContact O-CB 3.28Å; A479-Y483 PolarHBondContact O-N 2.86Å; Y483-A485 VanDerWaalsContact C-N 3.35Å; Y483-A485 PolarHBondContact O-N 2.84Å; Y483-I486 WeakPolarHBondContact O-CB 3.41Å; Y483-I486 PolarHBondContact O-N 3.2Å; Y483-Q487 HydrophobicContact CD1-CG 4.16Å; Y483-Q487 HydrophobicContact CE1-CG 3.71Å; Y483-Q487 HydrophobicContact CE2-CG 4.2Å; Y483-Q487 WeakPolarHBondContact O-CG 3.49Å; Y483-Q487 PolarHBondContact O-N 3.11Å
484	N	97.2	Very high	95.5	Very high	90 Å²	90	64.6 Å²	64.6	48%	0.481	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-39.6	177.6	-70.9	-25.9	0	0	0	112.2	E480 L482 I486 Q487 V488	E480-N484 VanDerWaalsContact O-CB 3.23Å; E480-N484 WeakPolarHBondContact O-CB 3.29Å; E480-N484 PolarHBondContact O-N 2.83Å; E480-N484 PolarHBondContact O-ND2 3.26Å; E480-N484 VanDerWaalsContact O-ND2 3.1Å; L482-N484 VanDerWaalsContact C-N 3.34Å; L482-N484 PolarHBondContact O-N 2.94Å; N484-I486 VanDerWaalsContact C-N 3.31Å; N484-I486 PolarHBondContact O-N 3.45Å; N484-Q487 PolarHBondContact O-N 2.8Å; N484-V488 WeakPolarHBondContact O-CB 3.37Å; N484-V488 VanDerWaalsContact O-CG2 3.24Å; N484-V488 WeakPolarHBondContact O-CG2 3.26Å; N484-V488 PolarHBondContact O-N 3.03Å
485	A	97.2	Very high	95.9	Very high	22 Å²	22	63.9 Å²	63.9	18%	0.182	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-37.9	176.1	0	0	0	0	0	112.3	I437 T438 K481 L482 Y483 S489	I437-A485 HydrophobicContact CG2-CB 4.19Å; T438-A485 WeakPolarHBondContact O-CB 3.47Å; K481-A485 WeakPolarHBondContact O-CB 3.28Å; K481-A485 PolarHBondContact O-N 3.46Å; L482-A485 PolarHBondContact O-N 2.87Å; L482-A485 VanDerWaalsContact O-N 3.16Å; Y483-A485 VanDerWaalsContact C-N 3.35Å; Y483-A485 PolarHBondContact O-N 2.84Å; A485-S489 PolarHBondContact O-N 3.03Å; A485-S489 VanDerWaalsContact O-N 3.12Å
486	I	97.9	Very high	96.2	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-47.8	173.1	-67.7	164.4	0	0	0	110.2	I437 I460 Y461 L463 L482 Y483 N484 V488 S489	I437-I486 HydrophobicContact CG2-CG1 3.7Å; I460-I486 HydrophobicContact CB-CD1 4.49Å; I460-I486 HydrophobicContact CG1-CG2 4.14Å; I460-I486 WeakPolarHBondContact O-CG2 2.99Å; Y461-I486 HydrophobicContact CD1-CG2 3.49Å; Y461-I486 VanDerWaalsContact CD1-CG2 3.49Å; Y461-I486 HydrophobicContact CE1-CG2 3.83Å; Y461-I486 VanDerWaalsContact CE1-O 3.28Å; Y461-I486 WeakPolarHBondContact CE1-O 3.3Å; Y461-I486 HydrophobicContact CG-CG2 4.32Å; L463-I486 HydrophobicContact CD1-CD1 4.4Å; L482-I486 HydrophobicContact CD1-CD1 4.06Å; L482-I486 HydrophobicContact CD1-CG1 4.23Å; L482-I486 HydrophobicContact CG-CD1 4.02Å; L482-I486 WeakPolarHBondContact O-CG1 3.09Å; L482-I486 PolarHBondContact O-N 3.36Å; Y483-I486 WeakPolarHBondContact O-CB 3.41Å; Y483-I486 PolarHBondContact O-N 3.2Å; N484-I486 VanDerWaalsContact C-N 3.31Å; N484-I486 PolarHBondContact O-N 3.45Å; I486-V488 PolarHBondContact O-N 3.45Å; I486-S489 PolarHBondContact O-N 2.85Å; I486-S489 PolarHBondContact O-OG 3.07Å
487	Q	97.5	Very high	96.5	Very high	46 Å²	46	52.7 Å²	52.7	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-42.3	-179.5	-62.3	-51.9	-45.5	0	0	112	Y483 N484 S489 K490	Y483-Q487 HydrophobicContact CD1-CG 4.16Å; Y483-Q487 HydrophobicContact CE1-CG 3.71Å; Y483-Q487 HydrophobicContact CE2-CG 4.2Å; Y483-Q487 WeakPolarHBondContact O-CG 3.49Å; Y483-Q487 PolarHBondContact O-N 3.11Å; N484-Q487 PolarHBondContact O-N 2.8Å; Q487-S489 VanDerWaalsContact C-N 3.26Å; Q487-S489 PolarHBondContact O-N 2.89Å; Q487-K490 VanDerWaalsContact O-CB 3.3Å; Q487-K490 WeakPolarHBondContact O-CB 3.17Å; Q487-K490 WeakPolarHBondContact O-CG 3.26Å; Q487-K490 PolarHBondContact O-N 2.84Å
488	V	97	Very high	96.7	Very high	85 Å²	85	44.9 Å²	44.9	52%	0.515	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-32	176.4	169.5	0	0	0	0	111.7	N484 I486 K490 E491	N484-V488 WeakPolarHBondContact O-CB 3.37Å; N484-V488 VanDerWaalsContact O-CG2 3.24Å; N484-V488 WeakPolarHBondContact O-CG2 3.26Å; N484-V488 PolarHBondContact O-N 3.03Å; I486-V488 PolarHBondContact O-N 3.45Å; V488-K490 PolarHBondContact O-N 2.81Å; V488-K490 VanDerWaalsContact O-N 3.14Å; V488-E491 WeakPolarHBondContact O-CB 3.37Å; V488-E491 PolarHBondContact O-N 3.28Å; V488-E491 VanDerWaalsContact O-N 3.08Å
489	S	97.7	Very high	97	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-19.4	-179.7	73.5	0	0	0	0	113.7	M435 Y461 A485 I486 Q487 E491 N492	M435-S489 WeakPolarHBondContact CE-O 3.48Å; M435-S489 WeakPolarHBondContact O-CB 3.42Å; Y461-S489 WeakPolarHBondContact CE1-OG 3.45Å; Y461-S489 PolarHBondContact OH-OG 3.4Å; Y461-S489 VanDerWaalsContact OH-OG 3.13Å; A485-S489 PolarHBondContact O-N 3.03Å; A485-S489 VanDerWaalsContact O-N 3.12Å; I486-S489 PolarHBondContact O-N 2.85Å; I486-S489 PolarHBondContact O-OG 3.07Å; Q487-S489 VanDerWaalsContact C-N 3.26Å; Q487-S489 PolarHBondContact O-N 2.89Å; S489-E491 PolarHBondContact O-N 2.65Å; S489-N492 WeakPolarHBondContact CA-ND2 3.29Å; S489-N492 WeakPolarHBondContact O-CB 3.43Å; S489-N492 PolarHBondContact O-N 3.41Å; S489-N492 VanDerWaalsContact O-N 3.15Å; S489-N492 PolarHBondContact O-ND2 3.13Å
490	K	97.9	Very high	97.1	Very high	38 Å²	38	44.2 Å²	44.2	17%	0.165	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.8	173.3	-63.3	-178.4	177.9	-177.3	0	112.6	Y461 Q487 V488 N492 A565 V567 N568	Y461-K490 HydrophobicContact CD1-CD 4.12Å; Y461-K490 HydrophobicContact CD1-CG 3.72Å; Y461-K490 HydrophobicContact CE1-CD 4.37Å; Y461-K490 HydrophobicContact CE1-CG 3.47Å; Y461-K490 VanDerWaalsContact CE1-CG 3.47Å; Q487-K490 VanDerWaalsContact O-CB 3.3Å; Q487-K490 WeakPolarHBondContact O-CB 3.17Å; Q487-K490 WeakPolarHBondContact O-CG 3.26Å; Q487-K490 PolarHBondContact O-N 2.84Å; V488-K490 PolarHBondContact O-N 2.81Å; V488-K490 VanDerWaalsContact O-N 3.14Å; K490-N492 VanDerWaalsContact C-N 3.3Å; K490-A565 WeakPolarHBondContact CD-O 3.22Å; K490-A565 WeakPolarHBondContact CE-O 3.33Å; K490-A565 PolarHBondContact NZ-O 3.3Å; K490-V567 HydrophobicContact CG-CG2 4.28Å; K490-N568 WeakPolarHBondContact O-CB 3.22Å; K490-N568 PolarHBondContact O-N 3.41Å
491	E	97	Very high	97.1	Very high	146 Å²	146	39.8 Å²	39.8	68%	0.682	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.1	-178.6	-58.4	177.1	-174	0	0	113.1	V488 S489 L572	V488-E491 WeakPolarHBondContact O-CB 3.37Å; V488-E491 PolarHBondContact O-N 3.28Å; V488-E491 VanDerWaalsContact O-N 3.08Å; S489-E491 PolarHBondContact O-N 2.65Å; E491-L572 VanDerWaalsContact O-CD1 3.31Å; E491-L572 WeakPolarHBondContact O-CD1 3.37Å
492	N	97.1	Very high	97	Very high	42 Å²	42	33.8 Å²	33.8	23%	0.225	18%	0.179	C	C	.	.	S	Bend	trans	-64.8	150.6	-179.9	-73.1	-37.1	0	0	0	112.1	M435 S489 K490 K496 N568	M435-N492 HydrophobicContact CE-CB 4.22Å; M435-N492 PolarHBondContact O-ND2 3.39Å; M435-N492 HydrophobicContact SD-CB 4.33Å; S489-N492 WeakPolarHBondContact CA-ND2 3.29Å; S489-N492 WeakPolarHBondContact O-CB 3.43Å; S489-N492 PolarHBondContact O-N 3.41Å; S489-N492 VanDerWaalsContact O-N 3.15Å; S489-N492 PolarHBondContact O-ND2 3.13Å; K490-N492 VanDerWaalsContact C-N 3.3Å; N492-K496 HydrophobicContact CB-CB 4.25Å; N492-N568 PolarHBondContact O-ND2 3.49Å
493	S	96.8	Very high	96.9	Very high	17 Å²	17	34 Å²	34	12%	0.119	18%	0.18	C	C	.	.			trans	-61.4	145.4	175.7	180	0	0	0	0	112.5	D495 K496 Y571 L572	S493-D495 WeakPolarHBondContact CB-OD1 3.38Å; S493-D495 PolarHBondContact O-N 2.9Å; S493-D495 PolarHBondContact OG-OD1 3.29Å; S493-K496 WeakPolarHBondContact O-CB 3.45Å; S493-K496 PolarHBondContact O-N 3.41Å; S493-Y571 VanDerWaalsContact OG-CD2 3.3Å; S493-Y571 WeakPolarHBondContact OG-CD2 3.29Å; S493-L572 PolarHBondContact OG-N 3.44Å
494	A	97.7	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-23.5	-176.7	0	0	0	0	0	115.5	K496 L497 L498 L515 I521 F569 A570	A494-K496 PolarHBondContact O-N 2.93Å; A494-L497 PolarHBondContact O-N 2.89Å; A494-L498 WeakPolarHBondContact O-CB 3.44Å; A494-L498 PolarHBondContact O-N 3.23Å; A494-L515 HydrophobicContact CB-CD1 3.76Å; A494-L515 HydrophobicContact CB-CG 3.88Å; A494-I521 HydrophobicContact CB-CD1 4.27Å; A494-I521 HydrophobicContact CB-CG1 4.19Å; A494-F569 WeakPolarHBondContact CB-O 3.42Å; A494-A570 VanDerWaalsContact CB-C 3.43Å; A494-A570 WeakPolarHBondContact CB-O 3.39Å; A494-A570 PolarHBondContact N-O 2.68Å
495	D	96.4	Very high	96.1	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.07	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-29.7	174.2	64.8	-63.3	0	0	0	112.3	S493 F499 S511 R512 L515 Y571	S493-D495 WeakPolarHBondContact CB-OD1 3.38Å; S493-D495 PolarHBondContact O-N 2.9Å; S493-D495 PolarHBondContact OG-OD1 3.29Å; D495-F499 WeakPolarHBondContact O-CB 3.46Å; D495-F499 PolarHBondContact O-N 3.45Å; D495-F499 VanDerWaalsContact O-N 3.12Å; D495-S511 VanDerWaalsContact O-CB 3.22Å; D495-S511 WeakPolarHBondContact O-CB 3.39Å; D495-R512 HydrophobicContact CB-CB 4.21Å; D495-L515 HydrophobicContact CB-CB 4.18Å; D495-L515 HydrophobicContact CB-CG 4.46Å; D495-Y571 HydrophobicContact CB-CD2 4.21Å; D495-Y571 HydrophobicContact CB-CE2 4.16Å
496	K	97.4	Very high	95.9	Very high	56 Å²	56	31.9 Å²	31.9	24%	0.243	16%	0.164	C	C	.	.	H	α-helix	trans	-71.6	-42.5	173.9	-60.9	-57.6	-167.5	155.3	0	111.7	D433 A434 M435 N492 S493 A494 F499 G500	D433-K496 WeakPolarHBondContact O-CD 3.39Å; D433-K496 PolarHBondContact O-NZ 3.08Å; A434-K496 WeakPolarHBondContact O-CB 3.38Å; A434-K496 WeakPolarHBondContact O-CD 3.44Å; M435-K496 HydrophobicContact SD-CB 4.16Å; N492-K496 HydrophobicContact CB-CB 4.25Å; S493-K496 WeakPolarHBondContact O-CB 3.45Å; S493-K496 PolarHBondContact O-N 3.41Å; A494-K496 PolarHBondContact O-N 2.93Å; K496-F499 PolarHBondContact O-N 3.15Å; K496-G500 PolarHBondContact O-N 2.89Å
497	L	98.2	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-53.1	174.6	175.9	59.4	0	0	0	110.6	F429 M435 A494 F499 G500 L501 I521 L562 V567 F569	F429-L497 HydrophobicContact CE2-CD1 3.73Å; F429-L497 HydrophobicContact CZ-CD1 4.07Å; M435-L497 HydrophobicContact CE-CD1 4.45Å; M435-L497 VanDerWaalsContact SD-CA 3.5Å; M435-L497 HydrophobicContact SD-CB 3.95Å; M435-L497 HydrophobicContact SD-CD1 4.29Å; M435-L497 PolarHBondContact SD-N 3.32Å; A494-L497 PolarHBondContact O-N 2.89Å; L497-F499 VanDerWaalsContact C-N 3.3Å; L497-F499 PolarHBondContact O-N 3.45Å; L497-G500 CarbonylContact O-C 3.57Å; L497-G500 WeakPolarHBondContact O-CA 3.1Å; L497-G500 PolarHBondContact O-N 3.24Å; L497-L501 HydrophobicContact CD1-CD2 4.47Å; L497-L501 WeakPolarHBondContact O-CG 3.17Å; L497-L501 PolarHBondContact O-N 2.79Å; L497-I521 HydrophobicContact CD2-CG1 4.14Å; L497-L562 HydrophobicContact CD1-CD1 4.15Å; L497-V567 HydrophobicContact CD1-CG1 4.18Å; L497-V567 HydrophobicContact CD2-CG1 3.92Å; L497-F569 HydrophobicContact CD2-CD2 3.63Å; L497-F569 HydrophobicContact CD2-CE2 3.56Å; L497-F569 HydrophobicContact CD2-CZ 4.38Å
498	L	98.1	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-42.5	-179.5	-178.3	64.6	0	0	0	112	A494 G500 L501 I503 V506 L514 L515 I521 L524 L546 F550	A494-L498 WeakPolarHBondContact O-CB 3.44Å; A494-L498 PolarHBondContact O-N 3.23Å; L498-G500 VanDerWaalsContact C-N 3.33Å; L498-L501 HydrophobicContact CD1-CD1 4.38Å; L498-L501 PolarHBondContact O-N 3.2Å; L498-I503 HydrophobicContact CD1-CD1 3.62Å; L498-V506 HydrophobicContact CD2-CG1 4.12Å; L498-V506 HydrophobicContact CG-CG1 4.03Å; L498-L514 HydrophobicContact CD2-CB 4.13Å; L498-L514 HydrophobicContact CD2-CD1 3.77Å; L498-L515 HydrophobicContact CB-CD2 3.85Å; L498-L515 HydrophobicContact CD2-CD2 3.26Å; L498-L515 HydrophobicContact CG-CD2 4.17Å; L498-I521 HydrophobicContact CB-CD1 3.95Å; L498-I521 HydrophobicContact CD1-CD1 4.42Å; L498-L524 HydrophobicContact CD1-CD2 4.01Å; L498-L524 HydrophobicContact CD2-CD2 3.5Å; L498-L524 VanDerWaalsContact CD2-CD2 3.5Å; L498-L524 HydrophobicContact CG-CD2 4.42Å; L498-L546 HydrophobicContact CD1-CD2 4.28Å; L498-F550 HydrophobicContact CD1-CZ 4.17Å
499	F	97.4	Very high	94.9	Very high	30 Å²	30	35.5 Å²	35.5	13%	0.132	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-42.6	174	179.3	-124.7	0	0	0	111.2	H428 D433 A434 D495 K496 L497 L501 G502 A508 S511	H428-F499 PolarHBondContact CD2-O 3.48Å; H428-F499 AromaticContact CE1-CE1 3.82Å; H428-F499 AromaticContact CE1-CE2 3.59Å; H428-F499 AromaticContact CE1-CZ 3.41Å; H428-F499 VanDerWaalsContact CE1-CZ 3.41Å; H428-F499 WeakPolarHBondContact CE1-CZ 3.25Å; H428-F499 AromaticContact NE2-CE2 3.97Å; H428-F499 PolarHBondContact NE2-O 2.88Å; D433-F499 VanDerWaalsContact C-CD1 3.48Å; D433-F499 HydrophobicContact CB-CD1 4.2Å; D433-F499 HydrophobicContact CB-CE1 3.61Å; D433-F499 HydrophobicContact CB-CZ 4.49Å; D433-F499 WeakPolarHBondContact O-CD1 3.49Å; A434-F499 HydrophobicContact CB-CD1 3.73Å; A434-F499 HydrophobicContact CB-CE1 4.2Å; D495-F499 WeakPolarHBondContact O-CB 3.46Å; D495-F499 PolarHBondContact O-N 3.45Å; D495-F499 VanDerWaalsContact O-N 3.12Å; K496-F499 PolarHBondContact O-N 3.15Å; L497-F499 VanDerWaalsContact C-N 3.3Å; L497-F499 PolarHBondContact O-N 3.45Å; F499-L501 VanDerWaalsContact C-N 3.3Å; F499-L501 PolarHBondContact O-N 3.12Å; F499-G502 PolarHBondContact O-N 3.35Å; F499-G502 VanDerWaalsContact O-N 3.1Å; F499-A508 HydrophobicContact CD1-CB 3.98Å; F499-A508 HydrophobicContact CD2-CB 4.15Å; F499-A508 HydrophobicContact CE1-CB 4.1Å; F499-A508 HydrophobicContact CE2-CB 4.24Å; F499-A508 VanDerWaalsContact CE2-N 3.32Å; F499-A508 HydrophobicContact CG-CB 3.99Å; F499-A508 HydrophobicContact CZ-CB 4.2Å; F499-S511 WeakPolarHBondContact CA-OG 3.26Å; F499-S511 WeakPolarHBondContact CB-OG 3.5Å; F499-S511 PolarHBondContact N-OG 3.47Å
500	G	96.7	Very high	94.7	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-29.9	178.1	0	0	0	0	0	114.7	H428 K496 L497 L498 G502	H428-G500 PolarHBondContact CD2-O 2.89Å; K496-G500 PolarHBondContact O-N 2.89Å; L497-G500 CarbonylContact O-C 3.57Å; L497-G500 WeakPolarHBondContact O-CA 3.1Å; L497-G500 PolarHBondContact O-N 3.24Å; L498-G500 VanDerWaalsContact C-N 3.33Å; G500-G502 PolarHBondContact O-N 2.94Å; G500-G502 VanDerWaalsContact O-N 3.12Å
501	L	96.1	Very high	94.6	Very high	6 Å²	6	34 Å²	34	3%	0.031	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.2	174.4	-65.2	178.7	0	0	0	112.9	R425 L497 L498 F499 I503 Y549 L558 L559 L562	R425-L501 PolarHBondContact NH1-O 3.03Å; L497-L501 HydrophobicContact CD1-CD2 4.47Å; L497-L501 WeakPolarHBondContact O-CG 3.17Å; L497-L501 PolarHBondContact O-N 2.79Å; L498-L501 HydrophobicContact CD1-CD1 4.38Å; L498-L501 PolarHBondContact O-N 3.2Å; F499-L501 VanDerWaalsContact C-N 3.3Å; F499-L501 PolarHBondContact O-N 3.12Å; L501-I503 HydrophobicContact CB-CD1 4.38Å; L501-I503 HydrophobicContact CB-CG1 4.04Å; L501-I503 HydrophobicContact CD1-CD1 4.41Å; L501-Y549 HydrophobicContact CD1-CE1 4.36Å; L501-L558 HydrophobicContact CD2-CD2 4.06Å; L501-L559 HydrophobicContact CD1-CD2 4.11Å; L501-L562 HydrophobicContact CD2-CD1 4.03Å
502	G	93	Very high	94.3	Very high	31 Å²	31	32.1 Å²	32.1	32%	0.32	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	38.1	174.1	0	0	0	0	0	112.8	F499 G500	F499-G502 PolarHBondContact O-N 3.35Å; F499-G502 VanDerWaalsContact O-N 3.1Å; G500-G502 PolarHBondContact O-N 2.94Å; G500-G502 VanDerWaalsContact O-N 3.12Å
503	I	93.4	Very high	94	Very high	9 Å²	9	32 Å²	32	5%	0.046	17%	0.166	C	C	.	.			trans	-71.2	137	178.6	-54.1	177.4	0	0	0	109.7	L498 L501 H505 V506 L546 Y549 F550	L498-I503 HydrophobicContact CD1-CD1 3.62Å; L501-I503 HydrophobicContact CB-CD1 4.38Å; L501-I503 HydrophobicContact CB-CG1 4.04Å; L501-I503 HydrophobicContact CD1-CD1 4.41Å; I503-H505 PolarHBondContact O-N 3.33Å; I503-V506 HydrophobicContact CB-CB 3.99Å; I503-V506 HydrophobicContact CB-CG2 3.96Å; I503-V506 HydrophobicContact CG2-CB 4.38Å; I503-V506 HydrophobicContact CG2-CG2 3.79Å; I503-V506 WeakPolarHBondContact O-CB 3.23Å; I503-V506 PolarHBondContact O-N 2.94Å; I503-L546 HydrophobicContact CD1-CD2 3.77Å; I503-L546 HydrophobicContact CG2-CD2 4.15Å; I503-L546 HydrophobicContact CG2-CG 4.45Å; I503-Y549 HydrophobicContact CD1-CD1 3.46Å; I503-Y549 VanDerWaalsContact CD1-CD1 3.46Å; I503-Y549 HydrophobicContact CD1-CE1 3.7Å; I503-Y549 HydrophobicContact CD1-CG 3.94Å; I503-Y549 HydrophobicContact CG1-CD1 3.79Å; I503-Y549 HydrophobicContact CG1-CD2 4.01Å; I503-Y549 HydrophobicContact CG1-CE1 3.9Å; I503-Y549 HydrophobicContact CG1-CE2 4.11Å; I503-Y549 HydrophobicContact CG1-CG 3.84Å; I503-Y549 HydrophobicContact CG2-CG 4.21Å; I503-F550 HydrophobicContact CD1-CE1 4.27Å; I503-F550 HydrophobicContact CD1-CZ 3.97Å
504	R	87.8	Confident	93.9	Very high	51 Å²	51	31.2 Å²	31.2	19%	0.192	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	134.3	-177.7	-170	-177.7	179.8	-103.5	-3.9	110.8	D407 E408 V506 S545	D407-R504 IonicContact OD1-NH1 3.45Å; D407-R504 IonicContact OD1-NH2 3.2Å; D407-R504 IonicContact OD2-CZ 3.56Å; D407-R504 IonicContact OD2-NH1 2.82Å; D407-R504 PolarHBondContact OD2-NH1 3.25Å; D407-R504 IonicContact OD2-NH2 3.86Å; D407-R504 PolarHBondContact OD2-NH2 3.43Å; E408-R504 IonicContact OE1-NE 3.84Å; E408-R504 IonicContact OE2-NE 2.75Å; E408-R504 IonicContact OE2-NH2 3.76Å; R504-V506 PolarHBondContact O-N 3.32Å; R504-S545 VanDerWaalsContact O-CB 3.23Å; R504-S545 WeakPolarHBondContact O-CB 3.39Å
505	H	89.2	Confident	93.8	Very high	87 Å²	87	31.2 Å²	31.2	40%	0.403	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-2.8	-175.4	-57.6	-61.2	0	0	0	117	I503 G507 V541 I542	I503-H505 PolarHBondContact O-N 3.33Å; H505-G507 PolarHBondContact O-N 3.4Å; H505-V541 WeakPolarHBondContact CD2-CG1 3.21Å; H505-V541 WeakPolarHBondContact NE2-CG1 3.31Å; H505-I542 HydrophobicContact CB-CD1 4.47Å; H505-I542 HydrophobicContact CB-CG1 3.74Å
506	V	93.8	Very high	93.4	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.036	18%	0.175	C	C	.	.			trans	-92.7	81.5	-180	-177.2	0	0	0	0	108.8	L498 I503 R504 S511 L514 I542 L546	L498-V506 HydrophobicContact CD2-CG1 4.12Å; L498-V506 HydrophobicContact CG-CG1 4.03Å; I503-V506 HydrophobicContact CB-CB 3.99Å; I503-V506 HydrophobicContact CB-CG2 3.96Å; I503-V506 HydrophobicContact CG2-CB 4.38Å; I503-V506 HydrophobicContact CG2-CG2 3.79Å; I503-V506 WeakPolarHBondContact O-CB 3.23Å; I503-V506 PolarHBondContact O-N 2.94Å; R504-V506 PolarHBondContact O-N 3.32Å; V506-S511 VanDerWaalsContact CG1-OG 3.29Å; V506-S511 WeakPolarHBondContact CG1-OG 3.38Å; V506-L514 HydrophobicContact CG1-CD1 4.1Å; V506-I542 HydrophobicContact CG2-CG2 4.08Å; V506-L546 HydrophobicContact CG2-CD1 4.13Å; V506-L546 HydrophobicContact CG2-CD2 3.88Å; V506-L546 HydrophobicContact CG2-CG 3.79Å
507	G	92.8	Very high	93	Very high	31 Å²	31	35.9 Å²	35.9	32%	0.32	19%	0.188	S	C	.	.			trans	-75.5	175.3	172.8	0	0	0	0	0	112.8	H505 K509 A510 S511	H505-G507 PolarHBondContact O-N 3.4Å; G507-K509 PolarHBondContact O-N 3.07Å; G507-A510 PolarHBondContact O-N 3.43Å; G507-A510 VanDerWaalsContact O-N 3.08Å; G507-S511 PolarHBondContact O-N 2.98Å; G507-S511 PolarHBondContact O-OG 3.42Å
508	A	91	Very high	92.7	Very high	31 Å²	31	37.2 Å²	37.2	26%	0.256	19%	0.194	S	C	.	.	H	α-helix	trans	-55.9	-37.5	-179.8	0	0	0	0	0	113.1	F499 R512	F499-A508 HydrophobicContact CD1-CB 3.98Å; F499-A508 HydrophobicContact CD2-CB 4.15Å; F499-A508 HydrophobicContact CE1-CB 4.1Å; F499-A508 HydrophobicContact CE2-CB 4.24Å; F499-A508 VanDerWaalsContact CE2-N 3.32Å; F499-A508 HydrophobicContact CG-CB 3.99Å; F499-A508 HydrophobicContact CZ-CB 4.2Å; A508-R512 PolarHBondContact O-N 2.56Å
509	K	88.4	Confident	92.5	Very high	147 Å²	147	41.7 Å²	41.7	64%	0.639	22%	0.215	S	C	*	.	H	α-helix	trans	-67	-48.6	175.7	-174.4	-171.6	172.5	-166.6	0	112	G507 S511 R512 Q513	G507-K509 PolarHBondContact O-N 3.07Å; K509-S511 VanDerWaalsContact C-N 3.29Å; K509-S511 PolarHBondContact O-N 2.92Å; K509-R512 PolarHBondContact O-N 3.04Å; K509-Q513 WeakPolarHBondContact O-CG 3.45Å; K509-Q513 PolarHBondContact O-N 2.96Å; K509-Q513 VanDerWaalsContact O-N 3.07Å
510	A	92.6	Very high	92.4	Very high	8 Å²	8	42 Å²	42	7%	0.066	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-41.9	179.9	0	0	0	0	0	110.9	G507 R512 Q513 L514 L538 I542	G507-A510 PolarHBondContact O-N 3.43Å; G507-A510 VanDerWaalsContact O-N 3.08Å; A510-R512 VanDerWaalsContact C-N 3.32Å; A510-R512 PolarHBondContact O-N 2.45Å; A510-Q513 PolarHBondContact O-N 2.92Å; A510-L514 WeakPolarHBondContact O-CD1 3.21Å; A510-L514 VanDerWaalsContact O-CG 3.24Å; A510-L514 WeakPolarHBondContact O-CG 3.48Å; A510-L514 PolarHBondContact O-N 2.9Å; A510-L538 HydrophobicContact CB-CD2 3.63Å; A510-I542 HydrophobicContact CB-CD1 4.13Å
511	S	95.7	Very high	92.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-46.2	177.2	-53.4	0	0	0	0	111.6	D495 F499 V506 G507 K509 L514 L515	D495-S511 VanDerWaalsContact O-CB 3.22Å; D495-S511 WeakPolarHBondContact O-CB 3.39Å; F499-S511 WeakPolarHBondContact CA-OG 3.26Å; F499-S511 WeakPolarHBondContact CB-OG 3.5Å; F499-S511 PolarHBondContact N-OG 3.47Å; V506-S511 VanDerWaalsContact CG1-OG 3.29Å; V506-S511 WeakPolarHBondContact CG1-OG 3.38Å; G507-S511 PolarHBondContact O-N 2.98Å; G507-S511 PolarHBondContact O-OG 3.42Å; K509-S511 VanDerWaalsContact C-N 3.29Å; K509-S511 PolarHBondContact O-N 2.92Å; S511-L514 PolarHBondContact O-N 2.85Å; S511-L515 VanDerWaalsContact O-CD2 3.29Å; S511-L515 WeakPolarHBondContact O-CD2 3.24Å; S511-L515 PolarHBondContact O-N 3.15Å
512	R	91.7	Very high	92.5	Very high	107 Å²	107	45.3 Å²	45.3	40%	0.404	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-48.4	175.6	-168.7	-173.2	-53.5	169.9	4.4	112.5	D495 A508 K509 A510 L514 L515 E516 Y571	D495-R512 HydrophobicContact CB-CB 4.21Å; A508-R512 PolarHBondContact O-N 2.56Å; K509-R512 PolarHBondContact O-N 3.04Å; A510-R512 VanDerWaalsContact C-N 3.32Å; A510-R512 PolarHBondContact O-N 2.45Å; R512-L514 VanDerWaalsContact C-N 3.27Å; R512-L514 PolarHBondContact O-N 2.96Å; R512-L515 PolarHBondContact O-N 3.1Å; R512-E516 WeakPolarHBondContact CD-OE1 3.37Å; R512-E516 HydrophobicContact CG-CG 4.27Å; R512-E516 WeakPolarHBondContact CG-OE1 3.48Å; R512-E516 WeakPolarHBondContact O-CB 3.49Å; R512-E516 VanDerWaalsContact O-CG 3.29Å; R512-E516 WeakPolarHBondContact O-CG 3.36Å; R512-E516 PolarHBondContact O-N 3.4Å; R512-Y571 HydrophobicContact CG-CE2 4.19Å
513	Q	89.9	Confident	92.6	Very high	40 Å²	40	49.5 Å²	49.5	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-37.5	180	-67.7	-179.4	-90.3	0	0	112.2	K509 A510 V517 I535 D536	K509-Q513 WeakPolarHBondContact O-CG 3.45Å; K509-Q513 PolarHBondContact O-N 2.96Å; K509-Q513 VanDerWaalsContact O-N 3.07Å; A510-Q513 PolarHBondContact O-N 2.92Å; Q513-V517 WeakPolarHBondContact O-CG2 3.21Å; Q513-V517 PolarHBondContact O-N 3.13Å; Q513-I535 HydrophobicContact CB-CG2 4.21Å; Q513-D536 PolarHBondContact NE2-O 3.37Å
514	L	94.2	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-49.9	175.6	-69.9	159.8	0	0	0	110.9	L498 V506 A510 S511 R512 E516 V517 F518 L524 I532 I535 L538 L546	L498-L514 HydrophobicContact CD2-CB 4.13Å; L498-L514 HydrophobicContact CD2-CD1 3.77Å; V506-L514 HydrophobicContact CG1-CD1 4.1Å; A510-L514 WeakPolarHBondContact O-CD1 3.21Å; A510-L514 VanDerWaalsContact O-CG 3.24Å; A510-L514 WeakPolarHBondContact O-CG 3.48Å; A510-L514 PolarHBondContact O-N 2.9Å; S511-L514 PolarHBondContact O-N 2.85Å; R512-L514 VanDerWaalsContact C-N 3.27Å; R512-L514 PolarHBondContact O-N 2.96Å; L514-E516 PolarHBondContact O-N 3.48Å; L514-V517 PolarHBondContact O-N 3.17Å; L514-V517 VanDerWaalsContact O-N 3.14Å; L514-F518 HydrophobicContact CD2-CD2 4.42Å; L514-F518 HydrophobicContact CD2-CE2 4.12Å; L514-F518 VanDerWaalsContact O-CD2 3.27Å; L514-F518 WeakPolarHBondContact O-CD2 3.27Å; L514-F518 PolarHBondContact O-N 3.06Å; L514-L524 HydrophobicContact CB-CD1 4.41Å; L514-L524 HydrophobicContact CB-CD2 4.26Å; L514-L524 HydrophobicContact CD2-CD1 3.9Å; L514-I532 HydrophobicContact CD2-CG2 3.8Å; L514-I535 HydrophobicContact CD2-CD1 3.93Å; L514-L538 HydrophobicContact CD1-CD1 4.34Å; L514-L538 HydrophobicContact CD2-CD1 3.51Å; L514-L538 HydrophobicContact CG-CD1 3.64Å; L514-L546 HydrophobicContact CD1-CD1 3.62Å; L514-L546 HydrophobicContact CD2-CD1 3.94Å; L514-L546 HydrophobicContact CG-CD1 4.47Å
515	L	95	Very high	93.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-75.1	-22.9	-177	-86.9	-52.9	0	0	0	113.6	A494 D495 L498 S511 R512 V517 E519 I521 L524 Y571	A494-L515 HydrophobicContact CB-CD1 3.76Å; A494-L515 HydrophobicContact CB-CG 3.88Å; D495-L515 HydrophobicContact CB-CB 4.18Å; D495-L515 HydrophobicContact CB-CG 4.46Å; L498-L515 HydrophobicContact CB-CD2 3.85Å; L498-L515 HydrophobicContact CD2-CD2 3.26Å; L498-L515 HydrophobicContact CG-CD2 4.17Å; S511-L515 VanDerWaalsContact O-CD2 3.29Å; S511-L515 WeakPolarHBondContact O-CD2 3.24Å; S511-L515 PolarHBondContact O-N 3.15Å; R512-L515 PolarHBondContact O-N 3.1Å; L515-V517 PolarHBondContact O-N 2.95Å; L515-E519 WeakPolarHBondContact O-CA 3.31Å; L515-E519 PolarHBondContact O-N 3.44Å; L515-I521 HydrophobicContact CD1-CD1 4.19Å; L515-I521 HydrophobicContact CD2-CD1 4.24Å; L515-L524 HydrophobicContact CD2-CD2 4.3Å; L515-Y571 HydrophobicContact CB-CD2 3.75Å; L515-Y571 HydrophobicContact CB-CG 4.03Å; L515-Y571 WeakPolarHBondContact O-CB 3.35Å
516	E	89.3	Confident	93.4	Very high	82 Å²	82	48.2 Å²	48.2	38%	0.383	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-31.6	167.4	-79.9	171.5	-177.2	0	0	112	R512 L514 Y571	R512-E516 WeakPolarHBondContact CD-OE1 3.37Å; R512-E516 HydrophobicContact CG-CG 4.27Å; R512-E516 WeakPolarHBondContact CG-OE1 3.48Å; R512-E516 WeakPolarHBondContact O-CB 3.49Å; R512-E516 VanDerWaalsContact O-CG 3.29Å; R512-E516 WeakPolarHBondContact O-CG 3.36Å; R512-E516 PolarHBondContact O-N 3.4Å; L514-E516 PolarHBondContact O-N 3.48Å; E516-Y571 HydrophobicContact CB-CE1 4.37Å; E516-Y571 HydrophobicContact CG-CD1 4.45Å; E516-Y571 HydrophobicContact CG-CE1 3.56Å; E516-Y571 HydrophobicContact CG-CE2 4.4Å; E516-Y571 WeakPolarHBondContact CG-OH 3.21Å; E516-Y571 PolarHBondContact OE1-OH 3.46Å
517	V	88	Confident	93.3	Very high	85 Å²	85	48.3 Å²	48.3	52%	0.515	26%	0.262	S	S	.	.	H	α-helix	trans	-92.8	-48.7	-177.5	174.7	0	0	0	0	112.2	Q513 L514 L515 I535	Q513-V517 WeakPolarHBondContact O-CG2 3.21Å; Q513-V517 PolarHBondContact O-N 3.13Å; L514-V517 PolarHBondContact O-N 3.17Å; L514-V517 VanDerWaalsContact O-N 3.14Å; L515-V517 PolarHBondContact O-N 2.95Å; V517-I535 HydrophobicContact CB-CD1 4.04Å; V517-I535 HydrophobicContact CG1-CD1 4.19Å; V517-I535 HydrophobicContact CG2-CD1 4.06Å; V517-I535 HydrophobicContact CG2-CG1 4.25Å
518	F	93.2	Very high	93.2	Very high	29 Å²	29	50.5 Å²	50.5	13%	0.127	27%	0.266	C	S	.	.	H	α-helix	trans	-89.3	-12.7	-175.5	-64.6	-70.4	0	0	0	113.5	L514 T520 Q523 L524 A527 I532 I535	L514-F518 HydrophobicContact CD2-CD2 4.42Å; L514-F518 HydrophobicContact CD2-CE2 4.12Å; L514-F518 VanDerWaalsContact O-CD2 3.27Å; L514-F518 WeakPolarHBondContact O-CD2 3.27Å; L514-F518 PolarHBondContact O-N 3.06Å; F518-T520 PolarHBondContact O-N 3.39Å; F518-Q523 HydrophobicContact CB-CB 4.27Å; F518-Q523 WeakPolarHBondContact O-CB 3.09Å; F518-L524 HydrophobicContact CB-CB 4.02Å; F518-L524 HydrophobicContact CD2-CB 4.32Å; F518-L524 HydrophobicContact CD2-CD1 3.5Å; F518-L524 HydrophobicContact CD2-CG 4.48Å; F518-L524 HydrophobicContact CE2-CD1 3.72Å; F518-L524 HydrophobicContact CG-CB 4.24Å; F518-L524 HydrophobicContact CG-CD1 4.19Å; F518-A527 HydrophobicContact CD1-CB 3.83Å; F518-A527 HydrophobicContact CE1-CB 3.27Å; F518-A527 HydrophobicContact CE2-CB 4.35Å; F518-A527 HydrophobicContact CZ-CB 3.57Å; F518-I532 HydrophobicContact CE2-CG1 3.88Å; F518-I532 HydrophobicContact CZ-CG1 3.82Å; F518-I535 HydrophobicContact CD2-CD1 4.34Å; F518-I535 HydrophobicContact CE2-CD1 3.63Å; F518-I535 HydrophobicContact CZ-CD1 4.33Å
519	E	92.5	Very high	93.1	Very high	94 Å²	94	50.9 Å²	50.9	44%	0.439	27%	0.27	S	S	.	.			trans	66.5	-33.4	176.2	-46.6	-160.8	159	0	0	116.7	L515 Y571 K575	L515-E519 WeakPolarHBondContact O-CA 3.31Å; L515-E519 PolarHBondContact O-N 3.44Å; E519-Y571 VanDerWaalsContact O-CB 3.3Å; E519-Y571 WeakPolarHBondContact O-CB 3.35Å; E519-Y571 PolarHBondContact O-N 2.87Å; E519-K575 IonicContact OE1-NZ 2.83Å; E519-K575 PolarHBondContact OE1-NZ 3.38Å; E519-K575 IonicContact OE2-NZ 3.65Å; E519-K575 PolarHBondContact OE2-NZ 3.11Å
520	T	96.8	Very high	93.2	Very high	36 Å²	36	50.1 Å²	50.1	22%	0.221	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-138.2	158.5	-179.5	62.7	0	0	0	0	111.1	F518 D522 Q523 L524 F569 A570	F518-T520 PolarHBondContact O-N 3.39Å; T520-D522 VanDerWaalsContact C-N 3.3Å; T520-D522 PolarHBondContact O-N 2.84Å; T520-Q523 PolarHBondContact O-N 2.85Å; T520-Q523 WeakPolarHBondContact OG1-CB 3.42Å; T520-Q523 WeakPolarHBondContact OG1-CG 3.41Å; T520-Q523 PolarHBondContact OG1-N 3.44Å; T520-L524 PolarHBondContact O-N 2.98Å; T520-L524 VanDerWaalsContact O-N 3.16Å; T520-F569 VanDerWaalsContact CA-O 3.22Å; T520-F569 WeakPolarHBondContact CA-O 3.47Å; T520-A570 HydrophobicContact CG2-CB 4.41Å
521	I	97.4	Very high	93	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-42.3	173.1	-60.9	-63.3	0	0	0	110.7	A494 L497 L498 L515 Q523 L524 V525 L559 F569	A494-I521 HydrophobicContact CB-CD1 4.27Å; A494-I521 HydrophobicContact CB-CG1 4.19Å; L497-I521 HydrophobicContact CD2-CG1 4.14Å; L498-I521 HydrophobicContact CB-CD1 3.95Å; L498-I521 HydrophobicContact CD1-CD1 4.42Å; L515-I521 HydrophobicContact CD1-CD1 4.19Å; L515-I521 HydrophobicContact CD2-CD1 4.24Å; I521-Q523 PolarHBondContact O-N 2.84Å; I521-L524 WeakPolarHBondContact O-CB 3.31Å; I521-L524 PolarHBondContact O-N 3.35Å; I521-L524 VanDerWaalsContact O-N 3.1Å; I521-V525 HydrophobicContact CG2-CG2 4.11Å; I521-V525 VanDerWaalsContact O-CG2 3.3Å; I521-V525 WeakPolarHBondContact O-CG2 3.32Å; I521-V525 PolarHBondContact O-N 3.01Å; I521-L559 HydrophobicContact CG2-CD1 4.18Å; I521-L559 HydrophobicContact CG2-CD2 3.9Å; I521-F569 HydrophobicContact CB-CB 4.32Å; I521-F569 HydrophobicContact CB-CD1 3.77Å; I521-F569 HydrophobicContact CB-CE1 4.3Å; I521-F569 HydrophobicContact CB-CG 4.13Å; I521-F569 HydrophobicContact CG1-CB 4.32Å; I521-F569 HydrophobicContact CG1-CD1 4.3Å; I521-F569 HydrophobicContact CG1-CG 4.19Å; I521-F569 HydrophobicContact CG2-CD1 4.2Å; I521-F569 HydrophobicContact CG2-CE1 4.24Å; I521-F569 PolarHBondContact N-O 2.95Å
522	D	96.6	Very high	92.8	Very high	78 Å²	78	52 Å²	52	42%	0.417	29%	0.285	S	S	.	.	H	α-helix	trans	-62.2	-42.7	-177.8	-55.4	-46	0	0	0	112.7	T520 L524 V525 A526	T520-D522 VanDerWaalsContact C-N 3.3Å; T520-D522 PolarHBondContact O-N 2.84Å; D522-L524 VanDerWaalsContact C-N 3.32Å; D522-L524 PolarHBondContact O-N 3Å; D522-V525 PolarHBondContact O-N 3.39Å; D522-A526 WeakPolarHBondContact O-CB 3.45Å; D522-A526 PolarHBondContact O-N 2.63Å
523	Q	95.5	Very high	92.6	Very high	118 Å²	118	48 Å²	48	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-66	-36.2	175.8	-68.8	-64.6	-30.1	0	0	111.7	F518 T520 I521 A526 A527	F518-Q523 HydrophobicContact CB-CB 4.27Å; F518-Q523 WeakPolarHBondContact O-CB 3.09Å; T520-Q523 PolarHBondContact O-N 2.85Å; T520-Q523 WeakPolarHBondContact OG1-CB 3.42Å; T520-Q523 WeakPolarHBondContact OG1-CG 3.41Å; T520-Q523 PolarHBondContact OG1-N 3.44Å; I521-Q523 PolarHBondContact O-N 2.84Å; Q523-A526 PolarHBondContact O-N 2.79Å; Q523-A527 PolarHBondContact O-N 2.85Å
524	L	96.3	Very high	92.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.5	-39.8	174.1	174.3	63.4	0	0	0	112	L498 L514 L515 F518 T520 I521 D522 A526 A527 I532 L546 F550	L498-L524 HydrophobicContact CD1-CD2 4.01Å; L498-L524 HydrophobicContact CD2-CD2 3.5Å; L498-L524 VanDerWaalsContact CD2-CD2 3.5Å; L498-L524 HydrophobicContact CG-CD2 4.42Å; L514-L524 HydrophobicContact CB-CD1 4.41Å; L514-L524 HydrophobicContact CB-CD2 4.26Å; L514-L524 HydrophobicContact CD2-CD1 3.9Å; L515-L524 HydrophobicContact CD2-CD2 4.3Å; F518-L524 HydrophobicContact CB-CB 4.02Å; F518-L524 HydrophobicContact CD2-CB 4.32Å; F518-L524 HydrophobicContact CD2-CD1 3.5Å; F518-L524 HydrophobicContact CD2-CG 4.48Å; F518-L524 HydrophobicContact CE2-CD1 3.72Å; F518-L524 HydrophobicContact CG-CB 4.24Å; F518-L524 HydrophobicContact CG-CD1 4.19Å; T520-L524 PolarHBondContact O-N 2.98Å; T520-L524 VanDerWaalsContact O-N 3.16Å; I521-L524 WeakPolarHBondContact O-CB 3.31Å; I521-L524 PolarHBondContact O-N 3.35Å; I521-L524 VanDerWaalsContact O-N 3.1Å; D522-L524 VanDerWaalsContact C-N 3.32Å; D522-L524 PolarHBondContact O-N 3Å; L524-A526 VanDerWaalsContact C-N 3.3Å; L524-A526 PolarHBondContact O-N 2.82Å; L524-A527 WeakPolarHBondContact O-CB 3.37Å; L524-A527 PolarHBondContact O-N 3.29Å; L524-I532 HydrophobicContact CD1-CD1 4.13Å; L524-I532 HydrophobicContact CD1-CG1 4.19Å; L524-L546 HydrophobicContact CD2-CD2 4.41Å; L524-F550 HydrophobicContact CD2-CE2 4.25Å; L524-F550 HydrophobicContact CD2-CZ 4.42Å; L524-F550 HydrophobicContact CG-CE2 4.08Å
525	V	95.7	Very high	92	Very high	41 Å²	41	51.5 Å²	51.5	25%	0.248	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-41	175.8	170.7	0	0	0	0	110.6	I521 D522 A527 R547 F550 L559	I521-V525 HydrophobicContact CG2-CG2 4.11Å; I521-V525 VanDerWaalsContact O-CG2 3.3Å; I521-V525 WeakPolarHBondContact O-CG2 3.32Å; I521-V525 PolarHBondContact O-N 3.01Å; D522-V525 PolarHBondContact O-N 3.39Å; V525-A527 VanDerWaalsContact C-N 3.3Å; V525-A527 PolarHBondContact O-N 3.21Å; V525-R547 PolarHBondContact O-NH1 3.44Å; V525-F550 HydrophobicContact CG1-CB 4.45Å; V525-F550 HydrophobicContact CG2-CD1 3.7Å; V525-F550 HydrophobicContact CG2-CD2 4.19Å; V525-F550 HydrophobicContact CG2-CE1 3.71Å; V525-F550 HydrophobicContact CG2-CE2 4.18Å; V525-F550 HydrophobicContact CG2-CG 3.97Å; V525-F550 HydrophobicContact CG2-CZ 3.95Å; V525-L559 HydrophobicContact CG2-CD1 3.85Å
526	A	94.5	Very high	91.1	Very high	79 Å²	79	56.4 Å²	56.4	65%	0.653	33%	0.328	S	S	*	.	H	α-helix	trans	-72.9	-18.9	177.1	0	0	0	0	0	113.8	D522 Q523 L524	D522-A526 WeakPolarHBondContact O-CB 3.45Å; D522-A526 PolarHBondContact O-N 2.63Å; Q523-A526 PolarHBondContact O-N 2.79Å; L524-A526 VanDerWaalsContact C-N 3.3Å; L524-A526 PolarHBondContact O-N 2.82Å
527	A	92.4	Very high	90.5	Very high	9 Å²	9	55.5 Å²	55.5	7%	0.074	34%	0.341	C	S	.	.			trans	-66.9	139.3	-175.5	0	0	0	0	0	113.2	F518 Q523 L524 V525 I532 R547	F518-A527 HydrophobicContact CD1-CB 3.83Å; F518-A527 HydrophobicContact CE1-CB 3.27Å; F518-A527 HydrophobicContact CE2-CB 4.35Å; F518-A527 HydrophobicContact CZ-CB 3.57Å; Q523-A527 PolarHBondContact O-N 2.85Å; L524-A527 WeakPolarHBondContact O-CB 3.37Å; L524-A527 PolarHBondContact O-N 3.29Å; V525-A527 VanDerWaalsContact C-N 3.3Å; V525-A527 PolarHBondContact O-N 3.21Å; A527-I532 HydrophobicContact CB-CD1 4.25Å; A527-I532 HydrophobicContact CB-CG1 4.09Å; A527-R547 PolarHBondContact O-NH1 3.21Å
528	D	91	Very high	90.4	Very high	76 Å²	76	52.1 Å²	52.1	41%	0.406	32%	0.32	S	S	.	.			trans	-75.7	163.4	173.2	70.7	87.9	0	0	0	112.2	D530 S531 I532	D528-D530 VanDerWaalsContact C-N 3.33Å; D528-D530 PolarHBondContact O-N 3.04Å; D528-D530 WeakPolarHBondContact OD1-CA 3.47Å; D528-D530 WeakPolarHBondContact OD1-CB 3.34Å; D528-D530 PolarHBondContact OD1-N 3.12Å; D528-S531 PolarHBondContact O-N 2.88Å; D528-S531 PolarHBondContact OD1-N 3.37Å; D528-S531 PolarHBondContact OD1-OG 3.25Å; D528-S531 VanDerWaalsContact OD2-CB 3.31Å; D528-S531 WeakPolarHBondContact OD2-CB 3.37Å; D528-S531 PolarHBondContact OD2-OG 3.39Å; D528-I532 WeakPolarHBondContact O-CG1 3.48Å; D528-I532 PolarHBondContact O-N 2.75Å
529	A	89.4	Confident	90	Very high	40 Å²	40	52.1 Å²	52.1	33%	0.331	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-34.8	-175.7	0	0	0	0	0	113.4	I532 A533 A543 R547	A529-I532 PolarHBondContact O-N 2.81Å; A529-A533 VanDerWaalsContact O-CB 3.27Å; A529-A533 WeakPolarHBondContact O-CB 3.26Å; A529-A533 PolarHBondContact O-N 3.49Å; A529-A543 HydrophobicContact CB-CB 4.42Å; A529-A543 WeakPolarHBondContact O-CB 3.37Å; A529-R547 HydrophobicContact CB-CG 4.12Å
530	D	89.2	Confident	89.8	Confident	130 Å²	130	52.7 Å²	52.7	70%	0.695	34%	0.338	S	S	*	.	H	α-helix	trans	-72.9	-41.4	-177.3	-68.4	-27.7	0	0	0	110.4	D528 I532 A533 S534	D528-D530 VanDerWaalsContact C-N 3.33Å; D528-D530 PolarHBondContact O-N 3.04Å; D528-D530 WeakPolarHBondContact OD1-CA 3.47Å; D528-D530 WeakPolarHBondContact OD1-CB 3.34Å; D528-D530 PolarHBondContact OD1-N 3.12Å; D530-I532 VanDerWaalsContact C-N 3.31Å; D530-I532 PolarHBondContact O-N 2.91Å; D530-A533 PolarHBondContact O-N 3.03Å; D530-S534 WeakPolarHBondContact O-CB 3.34Å; D530-S534 PolarHBondContact O-N 3.02Å
531	S	88.5	Confident	89.5	Confident	49 Å²	49	54.2 Å²	54.2	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-56	-45.5	172.4	-69.3	0	0	0	0	111.5	D528 S534	D528-S531 PolarHBondContact O-N 2.88Å; D528-S531 PolarHBondContact OD1-N 3.37Å; D528-S531 PolarHBondContact OD1-OG 3.25Å; D528-S531 VanDerWaalsContact OD2-CB 3.31Å; D528-S531 WeakPolarHBondContact OD2-CB 3.37Å; D528-S531 PolarHBondContact OD2-OG 3.39Å; S531-S534 PolarHBondContact O-OG 2.84Å
532	I	91.1	Very high	89.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-46.9	176.6	-64.2	167.2	0	0	0	111.3	L514 F518 L524 A527 D528 A529 D530 S534 I535 A543 L546	L514-I532 HydrophobicContact CD2-CG2 3.8Å; F518-I532 HydrophobicContact CE2-CG1 3.88Å; F518-I532 HydrophobicContact CZ-CG1 3.82Å; L524-I532 HydrophobicContact CD1-CD1 4.13Å; L524-I532 HydrophobicContact CD1-CG1 4.19Å; A527-I532 HydrophobicContact CB-CD1 4.25Å; A527-I532 HydrophobicContact CB-CG1 4.09Å; D528-I532 WeakPolarHBondContact O-CG1 3.48Å; D528-I532 PolarHBondContact O-N 2.75Å; A529-I532 PolarHBondContact O-N 2.81Å; D530-I532 VanDerWaalsContact C-N 3.31Å; D530-I532 PolarHBondContact O-N 2.91Å; I532-S534 PolarHBondContact O-N 2.77Å; I532-I535 WeakPolarHBondContact O-CB 3.25Å; I532-I535 PolarHBondContact O-N 3.24Å; I532-A543 HydrophobicContact CB-CB 3.92Å; I532-A543 HydrophobicContact CG2-CB 3.74Å; I532-L546 HydrophobicContact CD1-CB 4.42Å; I532-L546 HydrophobicContact CD1-CD1 4.42Å; I532-L546 HydrophobicContact CG2-CD1 3.9Å
533	A	89.2	Confident	88.8	Confident	22 Å²	22	51.5 Å²	51.5	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-25.7	-177.1	0	0	0	0	0	113	A529 D530 I535 T540 A543	A529-A533 VanDerWaalsContact O-CB 3.27Å; A529-A533 WeakPolarHBondContact O-CB 3.26Å; A529-A533 PolarHBondContact O-N 3.49Å; D530-A533 PolarHBondContact O-N 3.03Å; A533-I535 PolarHBondContact O-N 3.09Å; A533-T540 HydrophobicContact CB-CG2 4.09Å; A533-A543 HydrophobicContact CB-CB 4.03Å
534	S	85.3	Confident	88.6	Confident	95 Å²	95	50.5 Å²	50.5	66%	0.664	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.7	177.6	78.2	0	0	0	0	113.8	D530 S531 I532 D536	D530-S534 WeakPolarHBondContact O-CB 3.34Å; D530-S534 PolarHBondContact O-N 3.02Å; S531-S534 PolarHBondContact O-OG 2.84Å; I532-S534 PolarHBondContact O-N 2.77Å; S534-D536 PolarHBondContact O-N 2.65Å
535	I	84.5	Confident	88.3	Confident	18 Å²	18	50.6 Å²	50.6	9%	0.092	33%	0.328	C	S	.	.	S	Bend	trans	-70.3	122.9	177.4	-59.1	172.7	0	0	0	109.4	Q513 L514 V517 F518 I532 A533 G537 L538	Q513-I535 HydrophobicContact CB-CG2 4.21Å; L514-I535 HydrophobicContact CD2-CD1 3.93Å; V517-I535 HydrophobicContact CB-CD1 4.04Å; V517-I535 HydrophobicContact CG1-CD1 4.19Å; V517-I535 HydrophobicContact CG2-CD1 4.06Å; V517-I535 HydrophobicContact CG2-CG1 4.25Å; F518-I535 HydrophobicContact CD2-CD1 4.34Å; F518-I535 HydrophobicContact CE2-CD1 3.63Å; F518-I535 HydrophobicContact CZ-CD1 4.33Å; I532-I535 WeakPolarHBondContact O-CB 3.25Å; I532-I535 PolarHBondContact O-N 3.24Å; A533-I535 PolarHBondContact O-N 3.09Å; I535-G537 PolarHBondContact O-N 3.11Å; I535-L538 HydrophobicContact CB-CD1 3.81Å; I535-L538 HydrophobicContact CB-CG 4.09Å; I535-L538 HydrophobicContact CD1-CD1 4.14Å; I535-L538 HydrophobicContact CG2-CD1 3.73Å; I535-L538 HydrophobicContact CG2-CG 3.9Å; I535-L538 PolarHBondContact O-N 2.97Å
536	D	77.8	Confident	88.2	Confident	103 Å²	103	48.7 Å²	48.7	55%	0.551	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	122.5	-174.9	-179.6	45.8	0	0	0	112.4	Q513 S534 K611	Q513-D536 PolarHBondContact NE2-O 3.37Å; S534-D536 PolarHBondContact O-N 2.65Å; D536-K611 IonicContact OD2-NZ 3.5Å; D536-K611 PolarHBondContact OD2-NZ 2.83Å
537	G	76.7	Confident	88.1	Confident	63 Å²	63	49.1 Å²	49.1	65%	0.649	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-0.9	179	0	0	0	0	0	115.9	I535	I535-G537 PolarHBondContact O-N 3.11Å
538	L	84.9	Confident	88.1	Confident	14 Å²	14	50 Å²	50	7%	0.073	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-54.7	175.6	-56	-169.3	0	0	0	112.7	A510 L514 I535 I542	A510-L538 HydrophobicContact CB-CD2 3.63Å; L514-L538 HydrophobicContact CD1-CD1 4.34Å; L514-L538 HydrophobicContact CD2-CD1 3.51Å; L514-L538 HydrophobicContact CG-CD1 3.64Å; I535-L538 HydrophobicContact CB-CD1 3.81Å; I535-L538 HydrophobicContact CB-CG 4.09Å; I535-L538 HydrophobicContact CD1-CD1 4.14Å; I535-L538 HydrophobicContact CG2-CD1 3.73Å; I535-L538 HydrophobicContact CG2-CG 3.9Å; I535-L538 PolarHBondContact O-N 2.97Å; L538-I542 HydrophobicContact CB-CB 4.26Å; L538-I542 HydrophobicContact CB-CD1 4.06Å; L538-I542 HydrophobicContact CB-CG2 4.31Å; L538-I542 HydrophobicContact CD2-CD1 3.83Å
539	G	85.4	Confident	88.2	Confident	30 Å²	30	46.8 Å²	46.8	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	67.8	-175	178.5	0	0	0	0	0	114.8	V541 A543	G539-V541 PolarHBondContact O-N 2.85Å; G539-A543 PolarHBondContact O-N 2.9Å
540	T	88.7	Confident	88.5	Confident	105 Å²	105	45.6 Å²	45.6	64%	0.644	28%	0.276	S	S	*	.	H	α-helix	trans	-71	-27.7	-169.1	55.6	0	0	0	0	114.2	A533 A543 K544	A533-T540 HydrophobicContact CB-CG2 4.09Å; T540-A543 PolarHBondContact O-N 2.95Å; T540-K544 WeakPolarHBondContact O-CB 3.39Å; T540-K544 PolarHBondContact O-N 2.9Å
541	V	88.6	Confident	88.6	Confident	69 Å²	69	42.9 Å²	42.9	42%	0.418	27%	0.272	S	S	.	.	H	α-helix	trans	-65.8	-43.4	-179.8	176.7	0	0	0	0	111.4	H505 G539 S545	H505-V541 WeakPolarHBondContact CD2-CG1 3.21Å; H505-V541 WeakPolarHBondContact NE2-CG1 3.31Å; G539-V541 PolarHBondContact O-N 2.85Å; V541-S545 WeakPolarHBondContact O-CB 3.4Å; V541-S545 PolarHBondContact O-N 3.35Å; V541-S545 VanDerWaalsContact O-N 3.09Å; V541-S545 PolarHBondContact O-OG 2.84Å
542	I	90.1	Very high	88.7	Confident	18 Å²	18	41.4 Å²	41.4	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-43.9	175.6	-68.9	-175	0	0	0	110.1	H505 V506 A510 L538 K544 S545 L546	H505-I542 HydrophobicContact CB-CD1 4.47Å; H505-I542 HydrophobicContact CB-CG1 3.74Å; V506-I542 HydrophobicContact CG2-CG2 4.08Å; A510-I542 HydrophobicContact CB-CD1 4.13Å; L538-I542 HydrophobicContact CB-CB 4.26Å; L538-I542 HydrophobicContact CB-CD1 4.06Å; L538-I542 HydrophobicContact CB-CG2 4.31Å; L538-I542 HydrophobicContact CD2-CD1 3.83Å; I542-K544 PolarHBondContact O-N 2.83Å; I542-S545 PolarHBondContact O-N 3.48Å; I542-L546 HydrophobicContact CG2-CD1 3.77Å; I542-L546 PolarHBondContact O-N 3.14Å
543	A	90.7	Very high	88.8	Confident	2 Å²	2	49.5 Å²	49.5	2%	0.017	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-48.9	177.1	0	0	0	0	0	112.2	A529 I532 A533 G539 T540 S545 L546 R547	A529-A543 HydrophobicContact CB-CB 4.42Å; A529-A543 WeakPolarHBondContact O-CB 3.37Å; I532-A543 HydrophobicContact CB-CB 3.92Å; I532-A543 HydrophobicContact CG2-CB 3.74Å; A533-A543 HydrophobicContact CB-CB 4.03Å; G539-A543 PolarHBondContact O-N 2.9Å; T540-A543 PolarHBondContact O-N 2.95Å; A543-S545 VanDerWaalsContact C-N 3.32Å; A543-S545 PolarHBondContact O-N 2.99Å; A543-L546 PolarHBondContact O-N 3.37Å; A543-R547 WeakPolarHBondContact O-CG 3.31Å; A543-R547 PolarHBondContact O-N 2.91Å
544	K	90.2	Very high	89	Confident	98 Å²	98	50.3 Å²	50.3	43%	0.426	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-44.3	176.2	-171.5	175.5	-178.8	178.3	0	111.1	E406 T540 I542 L546 R547 S548	E406-K544 IonicContact OE1-NZ 3.91Å; E406-K544 PolarHBondContact OE1-NZ 2.56Å; E406-K544 VanDerWaalsContact OE1-NZ 3.12Å; T540-K544 WeakPolarHBondContact O-CB 3.39Å; T540-K544 PolarHBondContact O-N 2.9Å; I542-K544 PolarHBondContact O-N 2.83Å; K544-L546 PolarHBondContact O-N 3.48Å; K544-R547 PolarHBondContact O-N 2.94Å; K544-S548 WeakPolarHBondContact O-CB 3.48Å; K544-S548 PolarHBondContact O-N 3.27Å; K544-S548 PolarHBondContact O-OG 2.91Å; K544-S548 VanDerWaalsContact O-OG 3.08Å
545	S	90.8	Very high	89.4	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-43.3	180	-58.5	0	0	0	0	112.8	R504 V541 I542 A543 Y549	R504-S545 VanDerWaalsContact O-CB 3.23Å; R504-S545 WeakPolarHBondContact O-CB 3.39Å; V541-S545 WeakPolarHBondContact O-CB 3.4Å; V541-S545 PolarHBondContact O-N 3.35Å; V541-S545 VanDerWaalsContact O-N 3.09Å; V541-S545 PolarHBondContact O-OG 2.84Å; I542-S545 PolarHBondContact O-N 3.48Å; A543-S545 VanDerWaalsContact C-N 3.32Å; A543-S545 PolarHBondContact O-N 2.99Å; S545-Y549 WeakPolarHBondContact O-CB 3.5Å; S545-Y549 PolarHBondContact O-N 3.43Å
546	L	93.8	Very high	89.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-46.7	175.3	-78.1	158.5	0	0	0	111.7	L498 I503 V506 L514 L524 I532 I542 A543 K544 S548 Y549 F550	L498-L546 HydrophobicContact CD1-CD2 4.28Å; I503-L546 HydrophobicContact CD1-CD2 3.77Å; I503-L546 HydrophobicContact CG2-CD2 4.15Å; I503-L546 HydrophobicContact CG2-CG 4.45Å; V506-L546 HydrophobicContact CG2-CD1 4.13Å; V506-L546 HydrophobicContact CG2-CD2 3.88Å; V506-L546 HydrophobicContact CG2-CG 3.79Å; L514-L546 HydrophobicContact CD1-CD1 3.62Å; L514-L546 HydrophobicContact CD2-CD1 3.94Å; L514-L546 HydrophobicContact CG-CD1 4.47Å; L524-L546 HydrophobicContact CD2-CD2 4.41Å; I532-L546 HydrophobicContact CD1-CB 4.42Å; I532-L546 HydrophobicContact CD1-CD1 4.42Å; I532-L546 HydrophobicContact CG2-CD1 3.9Å; I542-L546 HydrophobicContact CG2-CD1 3.77Å; I542-L546 PolarHBondContact O-N 3.14Å; A543-L546 PolarHBondContact O-N 3.37Å; K544-L546 PolarHBondContact O-N 3.48Å; L546-S548 PolarHBondContact O-N 2.89Å; L546-Y549 PolarHBondContact O-N 3.18Å; L546-F550 HydrophobicContact CB-CD2 4.43Å; L546-F550 HydrophobicContact CB-CE2 4.36Å; L546-F550 HydrophobicContact CD2-CD2 4.47Å; L546-F550 HydrophobicContact CD2-CE2 3.66Å; L546-F550 HydrophobicContact CD2-CZ 4.19Å; L546-F550 VanDerWaalsContact O-CD2 3.26Å; L546-F550 WeakPolarHBondContact O-CD2 3.43Å; L546-F550 PolarHBondContact O-N 3.35Å
547	R	92.9	Very high	90.8	Very high	88 Å²	88	47.6 Å²	47.6	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-42.6	178.2	-68.8	-54.5	-53.3	170.1	10.5	111.8	V525 A527 A529 A543 K544 Y549 A551	V525-R547 PolarHBondContact O-NH1 3.44Å; A527-R547 PolarHBondContact O-NH1 3.21Å; A529-R547 HydrophobicContact CB-CG 4.12Å; A543-R547 WeakPolarHBondContact O-CG 3.31Å; A543-R547 PolarHBondContact O-N 2.91Å; K544-R547 PolarHBondContact O-N 2.94Å; R547-Y549 VanDerWaalsContact C-N 3.31Å; R547-Y549 PolarHBondContact O-N 3.01Å; R547-A551 WeakPolarHBondContact O-CB 3.5Å; R547-A551 PolarHBondContact O-N 3.48Å
548	S	90.9	Very high	91.7	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.203	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-36.8	175.9	-66.4	0	0	0	0	112.3	I414 K544 L546	I414-S548 WeakPolarHBondContact CD1-O 3.15Å; K544-S548 WeakPolarHBondContact O-CB 3.48Å; K544-S548 PolarHBondContact O-N 3.27Å; K544-S548 PolarHBondContact O-OG 2.91Å; K544-S548 VanDerWaalsContact O-OG 3.08Å; L546-S548 PolarHBondContact O-N 2.89Å
549	Y	93.8	Very high	92.3	Very high	8 Å²	8	44.6 Å²	44.6	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-53.2	176.6	-178.5	-93.1	0	0	0	111.7	P416 L501 I503 S545 L546 R547 A551 K552 A555	P416-Y549 HydrophobicContact CB-CE2 3.95Å; P416-Y549 WeakPolarHBondContact CB-OH 3.49Å; P416-Y549 HydrophobicContact CG-CE2 4.08Å; L501-Y549 HydrophobicContact CD1-CE1 4.36Å; I503-Y549 HydrophobicContact CD1-CD1 3.46Å; I503-Y549 VanDerWaalsContact CD1-CD1 3.46Å; I503-Y549 HydrophobicContact CD1-CE1 3.7Å; I503-Y549 HydrophobicContact CD1-CG 3.94Å; I503-Y549 HydrophobicContact CG1-CD1 3.79Å; I503-Y549 HydrophobicContact CG1-CD2 4.01Å; I503-Y549 HydrophobicContact CG1-CE1 3.9Å; I503-Y549 HydrophobicContact CG1-CE2 4.11Å; I503-Y549 HydrophobicContact CG1-CG 3.84Å; I503-Y549 HydrophobicContact CG2-CG 4.21Å; S545-Y549 WeakPolarHBondContact O-CB 3.5Å; S545-Y549 PolarHBondContact O-N 3.43Å; L546-Y549 PolarHBondContact O-N 3.18Å; R547-Y549 VanDerWaalsContact C-N 3.31Å; R547-Y549 PolarHBondContact O-N 3.01Å; Y549-A551 PolarHBondContact O-N 3.27Å; Y549-K552 WeakPolarHBondContact O-CB 3.36Å; Y549-K552 PolarHBondContact O-N 2.85Å; Y549-K552 VanDerWaalsContact O-N 3.11Å; Y549-A555 HydrophobicContact CD1-CB 4.08Å; Y549-A555 HydrophobicContact CE1-CB 3.79Å; Y549-A555 VanDerWaalsContact O-CB 3.24Å; Y549-A555 WeakPolarHBondContact O-CB 3.42Å
550	F	95.1	Very high	92.9	Very high	15 Å²	15	48 Å²	48	7%	0.066	25%	0.251	C	S	.	.	H	α-helix	trans	-72.4	-12.2	-178.6	-63.8	-49.3	0	0	0	114.2	L498 I503 L524 V525 L546 L559	L498-F550 HydrophobicContact CD1-CZ 4.17Å; I503-F550 HydrophobicContact CD1-CE1 4.27Å; I503-F550 HydrophobicContact CD1-CZ 3.97Å; L524-F550 HydrophobicContact CD2-CE2 4.25Å; L524-F550 HydrophobicContact CD2-CZ 4.42Å; L524-F550 HydrophobicContact CG-CE2 4.08Å; V525-F550 HydrophobicContact CG1-CB 4.45Å; V525-F550 HydrophobicContact CG2-CD1 3.7Å; V525-F550 HydrophobicContact CG2-CD2 4.19Å; V525-F550 HydrophobicContact CG2-CE1 3.71Å; V525-F550 HydrophobicContact CG2-CE2 4.18Å; V525-F550 HydrophobicContact CG2-CG 3.97Å; V525-F550 HydrophobicContact CG2-CZ 3.95Å; L546-F550 HydrophobicContact CB-CD2 4.43Å; L546-F550 HydrophobicContact CB-CE2 4.36Å; L546-F550 HydrophobicContact CD2-CD2 4.47Å; L546-F550 HydrophobicContact CD2-CE2 3.66Å; L546-F550 HydrophobicContact CD2-CZ 4.19Å; L546-F550 VanDerWaalsContact O-CD2 3.26Å; L546-F550 WeakPolarHBondContact O-CD2 3.43Å; L546-F550 PolarHBondContact O-N 3.35Å; F550-L559 HydrophobicContact CD1-CD1 4.22Å; F550-L559 HydrophobicContact CE1-CD1 4.06Å
551	A	92.1	Very high	93.3	Very high	73 Å²	73	45.9 Å²	45.9	60%	0.603	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-12	170.4	0	0	0	0	0	113.3	R547 Y549	R547-A551 WeakPolarHBondContact O-CB 3.5Å; R547-A551 PolarHBondContact O-N 3.48Å; Y549-A551 PolarHBondContact O-N 3.27Å
552	K	90.8	Very high	93.8	Very high	18 Å²	18	42.6 Å²	42.6	8%	0.078	21%	0.214	C	C	.	.	S	Bend	trans	-80.5	133	177.2	-63.2	-60.9	-176.8	180	0	110.5	E401 I414 Y549 E554 A555 T556	E401-K552 PolarHBondContact O-NZ 3.46Å; E401-K552 IonicContact OE2-NZ 2.78Å; E401-K552 PolarHBondContact OE2-NZ 3.21Å; I414-K552 HydrophobicContact CD1-CG 4.15Å; I414-K552 HydrophobicContact CG1-CG 4.38Å; Y549-K552 WeakPolarHBondContact O-CB 3.36Å; Y549-K552 PolarHBondContact O-N 2.85Å; Y549-K552 VanDerWaalsContact O-N 3.11Å; K552-E554 PolarHBondContact O-N 2.89Å; K552-A555 HydrophobicContact CB-CB 4.23Å; K552-A555 WeakPolarHBondContact O-CB 3.03Å; K552-A555 PolarHBondContact O-N 2.92Å; K552-A555 VanDerWaalsContact O-N 3.12Å; K552-T556 PolarHBondContact O-N 3.3Å
553	E	92.7	Very high	94.1	Very high	169 Å²	169	46.4 Å²	46.4	79%	0.79	23%	0.231	S	C	*	.	H	α-helix	trans	-59.2	-38.5	176.1	-66.1	-176.7	170	0	0	110.4	A555 T556 E557	E553-A555 VanDerWaalsContact C-N 3.27Å; E553-A555 PolarHBondContact O-N 3.48Å; E553-T556 WeakPolarHBondContact O-CA 3.34Å; E553-T556 WeakPolarHBondContact O-CB 3.46Å; E553-T556 PolarHBondContact O-N 2.96Å; E553-E557 PolarHBondContact O-N 3.39Å
554	E	93.1	Very high	94.4	Very high	40 Å²	40	53 Å²	53	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-25.1	179.8	-54	101.1	134.5	0	0	113	N415 P416 L417 K552 L558	N415-E554 VanDerWaalsContact ND2-CD 3.31Å; N415-E554 VanDerWaalsContact ND2-CG 3.35Å; N415-E554 WeakPolarHBondContact ND2-CG 3.43Å; N415-E554 PolarHBondContact ND2-OE1 3.43Å; N415-E554 VanDerWaalsContact OD1-CB 3.22Å; N415-E554 WeakPolarHBondContact OD1-CB 3.31Å; P416-E554 HydrophobicContact CG-CB 4.48Å; L417-E554 HydrophobicContact CB-CB 4.47Å; L417-E554 HydrophobicContact CD1-CB 3.82Å; L417-E554 HydrophobicContact CD1-CG 4.36Å; L417-E554 HydrophobicContact CG-CB 4Å; K552-E554 PolarHBondContact O-N 2.89Å; E554-L558 WeakPolarHBondContact O-CB 3.34Å; E554-L558 PolarHBondContact O-N 2.88Å; E554-L558 VanDerWaalsContact O-N 3.1Å
555	A	93.9	Very high	94.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-72.9	-36.1	171.2	0	0	0	0	0	111.4	P416 Y549 K552 E553 L559	P416-A555 HydrophobicContact CG-CB 4.1Å; Y549-A555 HydrophobicContact CD1-CB 4.08Å; Y549-A555 HydrophobicContact CE1-CB 3.79Å; Y549-A555 VanDerWaalsContact O-CB 3.24Å; Y549-A555 WeakPolarHBondContact O-CB 3.42Å; K552-A555 HydrophobicContact CB-CB 4.23Å; K552-A555 WeakPolarHBondContact O-CB 3.03Å; K552-A555 PolarHBondContact O-N 2.92Å; K552-A555 VanDerWaalsContact O-N 3.12Å; E553-A555 VanDerWaalsContact C-N 3.27Å; E553-A555 PolarHBondContact O-N 3.48Å; A555-L559 VanDerWaalsContact O-CG 3.27Å; A555-L559 WeakPolarHBondContact O-CG 3.39Å; A555-L559 PolarHBondContact O-N 3.43Å; A555-L559 VanDerWaalsContact O-N 3.1Å
556	T	95.5	Very high	95	Very high	58 Å²	58	51 Å²	51	36%	0.356	27%	0.273	S	S	.	.	H	α-helix	trans	-68.2	-42.5	175.5	-56.3	0	0	0	0	110.7	K552 E553 L559 H560	K552-T556 PolarHBondContact O-N 3.3Å; E553-T556 WeakPolarHBondContact O-CA 3.34Å; E553-T556 WeakPolarHBondContact O-CB 3.46Å; E553-T556 PolarHBondContact O-N 2.96Å; T556-L559 PolarHBondContact O-N 2.8Å; T556-H560 PolarHBondContact O-N 3.33Å; T556-H560 PolarHBondContact O-ND1 3.22Å
557	E	95.9	Very high	95.3	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-55.9	-53.2	173.5	-177.2	171.6	-163.7	0	0	111.4	L417 E553 L559 H560 E561	L417-E557 HydrophobicContact CD1-CB 4.33Å; L417-E557 HydrophobicContact CD1-CG 4.15Å; L417-E557 WeakPolarHBondContact CD1-OE2 3.41Å; E553-E557 PolarHBondContact O-N 3.39Å; E557-L559 VanDerWaalsContact C-N 3.3Å; E557-L559 PolarHBondContact O-N 3.18Å; E557-H560 PolarHBondContact O-N 3.03Å; E557-H560 VanDerWaalsContact O-N 3.1Å; E557-E561 PolarHBondContact O-N 2.77Å
558	L	95.7	Very high	95.5	Very high	4 Å²	4	49 Å²	49	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-41	178.9	-179.9	61.1	0	0	0	112.7	P416 L417 D456 V457 A458 L501 E554 E561 L562	P416-L558 HydrophobicContact CB-CD2 3.75Å; P416-L558 HydrophobicContact CG-CD2 4.24Å; L417-L558 HydrophobicContact CD2-CB 4.07Å; L417-L558 HydrophobicContact CD2-CD1 4.15Å; D456-L558 HydrophobicContact CB-CD1 4.32Å; V457-L558 HydrophobicContact CG2-CD1 3.77Å; V457-L558 HydrophobicContact CG2-CD2 3.91Å; V457-L558 HydrophobicContact CG2-CG 4.38Å; A458-L558 HydrophobicContact CB-CD1 3.84Å; L501-L558 HydrophobicContact CD2-CD2 4.06Å; E554-L558 WeakPolarHBondContact O-CB 3.34Å; E554-L558 PolarHBondContact O-N 2.88Å; E554-L558 VanDerWaalsContact O-N 3.1Å; L558-E561 PolarHBondContact O-N 2.85Å; L558-L562 HydrophobicContact CD1-CD1 4.23Å; L558-L562 HydrophobicContact CD1-CG 4.33Å; L558-L562 HydrophobicContact CG-CD1 3.96Å; L558-L562 WeakPolarHBondContact O-CD1 3.41Å; L558-L562 VanDerWaalsContact O-CG 3.26Å; L558-L562 WeakPolarHBondContact O-CG 3.45Å; L558-L562 PolarHBondContact O-N 2.85Å
559	L	97.6	Very high	95.9	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-42.5	177.8	-72.3	177.2	0	0	0	111.4	L501 I521 V525 F550 A555 T556 E557 E561 L562 E563 F569	L501-L559 HydrophobicContact CD1-CD2 4.11Å; I521-L559 HydrophobicContact CG2-CD1 4.18Å; I521-L559 HydrophobicContact CG2-CD2 3.9Å; V525-L559 HydrophobicContact CG2-CD1 3.85Å; F550-L559 HydrophobicContact CD1-CD1 4.22Å; F550-L559 HydrophobicContact CE1-CD1 4.06Å; A555-L559 VanDerWaalsContact O-CG 3.27Å; A555-L559 WeakPolarHBondContact O-CG 3.39Å; A555-L559 PolarHBondContact O-N 3.43Å; A555-L559 VanDerWaalsContact O-N 3.1Å; T556-L559 PolarHBondContact O-N 2.8Å; E557-L559 VanDerWaalsContact C-N 3.3Å; E557-L559 PolarHBondContact O-N 3.18Å; L559-E561 VanDerWaalsContact C-N 3.34Å; L559-E561 PolarHBondContact O-N 3.43Å; L559-L562 PolarHBondContact O-N 3.07Å; L559-E563 WeakPolarHBondContact O-CB 3.44Å; L559-E563 PolarHBondContact O-N 3.44Å; L559-F569 HydrophobicContact CB-CE1 4.36Å; L559-F569 HydrophobicContact CB-CZ 4.35Å; L559-F569 HydrophobicContact CD2-CE1 4.22Å; L559-F569 HydrophobicContact CD2-CZ 4.03Å; L559-F569 VanDerWaalsContact O-CZ 3.31Å; L559-F569 WeakPolarHBondContact O-CZ 3.23Å
560	H	97.5	Very high	96	Very high	102 Å²	102	49.7 Å²	49.7	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-38.3	175.5	-68.1	152	0	0	0	112.5	T556 E557 E563 N564	T556-H560 PolarHBondContact O-N 3.33Å; T556-H560 PolarHBondContact O-ND1 3.22Å; E557-H560 PolarHBondContact O-N 3.03Å; E557-H560 VanDerWaalsContact O-N 3.1Å; H560-E563 PolarHBondContact O-N 3.24Å; H560-N564 VanDerWaalsContact O-CB 3.27Å; H560-N564 WeakPolarHBondContact O-CB 3.48Å; H560-N564 PolarHBondContact O-N 3.22Å; H560-N564 PolarHBondContact O-ND2 2.89Å
561	E	97.6	Very high	96.1	Very high	59 Å²	59	50 Å²	50	28%	0.276	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-43.9	175.6	-69.5	176.2	158.5	0	0	112	A458 E557 L558 L559 N564 A565	A458-E561 HydrophobicContact CB-CB 3.61Å; E557-E561 PolarHBondContact O-N 2.77Å; L558-E561 PolarHBondContact O-N 2.85Å; L559-E561 VanDerWaalsContact C-N 3.34Å; L559-E561 PolarHBondContact O-N 3.43Å; E561-N564 PolarHBondContact O-N 2.97Å; E561-A565 WeakPolarHBondContact O-CB 3.29Å; E561-A565 PolarHBondContact O-N 2.9Å
562	L	98.2	Very high	96.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-42	176.6	-69.6	165	0	0	0	111.9	F429 A458 Y461 L497 L501 L558 L559 A565 G566 V567 F569	F429-L562 HydrophobicContact CZ-CD2 4.15Å; A458-L562 HydrophobicContact CB-CD2 3.85Å; A458-L562 HydrophobicContact CB-CG 3.98Å; Y461-L562 HydrophobicContact CD2-CD2 4.14Å; Y461-L562 HydrophobicContact CE2-CD2 3.77Å; L497-L562 HydrophobicContact CD1-CD1 4.15Å; L501-L562 HydrophobicContact CD2-CD1 4.03Å; L558-L562 HydrophobicContact CD1-CD1 4.23Å; L558-L562 HydrophobicContact CD1-CG 4.33Å; L558-L562 HydrophobicContact CG-CD1 3.96Å; L558-L562 WeakPolarHBondContact O-CD1 3.41Å; L558-L562 VanDerWaalsContact O-CG 3.26Å; L558-L562 WeakPolarHBondContact O-CG 3.45Å; L558-L562 PolarHBondContact O-N 2.85Å; L559-L562 PolarHBondContact O-N 3.07Å; L562-A565 PolarHBondContact O-N 3.44Å; L562-G566 PolarHBondContact O-N 3.25Å; L562-V567 HydrophobicContact CB-CB 4.34Å; L562-V567 HydrophobicContact CB-CG2 4.28Å; L562-V567 HydrophobicContact CD2-CG2 4.05Å; L562-V567 VanDerWaalsContact O-CB 3.31Å; L562-V567 WeakPolarHBondContact O-CB 3.38Å; L562-V567 WeakPolarHBondContact O-CG2 3.43Å; L562-V567 PolarHBondContact O-N 3.18Å; L562-F569 HydrophobicContact CB-CE2 4Å; L562-F569 HydrophobicContact CB-CZ 4.11Å
563	E	97.1	Very high	95.7	Very high	99 Å²	99	52.1 Å²	52.1	46%	0.463	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-47.2	175.9	-171.8	-179	-165.2	0	0	111	L559 H560 A565 G566 F569	L559-E563 WeakPolarHBondContact O-CB 3.44Å; L559-E563 PolarHBondContact O-N 3.44Å; H560-E563 PolarHBondContact O-N 3.24Å; E563-A565 PolarHBondContact O-N 3.25Å; E563-G566 WeakPolarHBondContact O-CA 3.48Å; E563-G566 PolarHBondContact O-N 2.94Å; E563-F569 HydrophobicContact CB-CE1 4.24Å; E563-F569 HydrophobicContact CB-CE2 4.4Å; E563-F569 HydrophobicContact CB-CZ 3.99Å
564	N	97.5	Very high	94.7	Very high	139 Å²	139	49.4 Å²	49.4	74%	0.743	27%	0.27	S	S	*	.	H	α-helix	trans	-62.1	-31.4	176.3	-74.4	-35.5	0	0	0	112.5	H560 E561 G566	H560-N564 VanDerWaalsContact O-CB 3.27Å; H560-N564 WeakPolarHBondContact O-CB 3.48Å; H560-N564 PolarHBondContact O-N 3.22Å; H560-N564 PolarHBondContact O-ND2 2.89Å; E561-N564 PolarHBondContact O-N 2.97Å; N564-G566 PolarHBondContact O-N 2.84Å
565	A	96.9	Very high	93.5	Very high	10 Å²	10	53.4 Å²	53.4	8%	0.083	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.8	173	0	0	0	0	0	113.4	Y461 K490 E561 L562 E563 V567	Y461-A565 HydrophobicContact CD2-CB 4.29Å; Y461-A565 HydrophobicContact CG-CB 4.19Å; K490-A565 WeakPolarHBondContact CD-O 3.22Å; K490-A565 WeakPolarHBondContact CE-O 3.33Å; K490-A565 PolarHBondContact NZ-O 3.3Å; E561-A565 WeakPolarHBondContact O-CB 3.29Å; E561-A565 PolarHBondContact O-N 2.9Å; L562-A565 PolarHBondContact O-N 3.44Å; E563-A565 PolarHBondContact O-N 3.25Å; A565-V567 HydrophobicContact CB-CG2 4.48Å
566	G	97.4	Very high	92	Very high	49 Å²	49	56.4 Å²	56.4	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	23.8	179.5	0	0	0	0	0	114	L562 E563 N564	L562-G566 PolarHBondContact O-N 3.25Å; E563-G566 WeakPolarHBondContact O-CA 3.48Å; E563-G566 PolarHBondContact O-N 2.94Å; N564-G566 PolarHBondContact O-N 2.84Å
567	V	98.3	Very high	90.3	Very high	8 Å²	8	56.8 Å²	56.8	5%	0.048	31%	0.31	C	S	.	.			trans	-70.5	134.2	174.7	-178.4	0	0	0	0	109.5	M435 Y461 K490 L497 L562 A565 F569	M435-V567 HydrophobicContact CE-CG1 3.93Å; Y461-V567 HydrophobicContact CD2-CG2 3.9Å; Y461-V567 HydrophobicContact CE1-CG2 4.22Å; Y461-V567 HydrophobicContact CE2-CG2 3.46Å; Y461-V567 VanDerWaalsContact CE2-CG2 3.46Å; Y461-V567 HydrophobicContact CG-CG2 4.46Å; K490-V567 HydrophobicContact CG-CG2 4.28Å; L497-V567 HydrophobicContact CD1-CG1 4.18Å; L497-V567 HydrophobicContact CD2-CG1 3.92Å; L562-V567 HydrophobicContact CB-CB 4.34Å; L562-V567 HydrophobicContact CB-CG2 4.28Å; L562-V567 HydrophobicContact CD2-CG2 4.05Å; L562-V567 VanDerWaalsContact O-CB 3.31Å; L562-V567 WeakPolarHBondContact O-CB 3.38Å; L562-V567 WeakPolarHBondContact O-CG2 3.43Å; L562-V567 PolarHBondContact O-N 3.18Å; A565-V567 HydrophobicContact CB-CG2 4.48Å; V567-F569 HydrophobicContact CB-CE2 4.37Å; V567-F569 VanDerWaalsContact O-CD2 3.27Å; V567-F569 WeakPolarHBondContact O-CD2 3.42Å; V567-F569 PolarHBondContact O-N 2.98Å
568	N	98.2	Very high	88.6	Confident	39 Å²	39	61.5 Å²	61.5	21%	0.209	33%	0.329	C	S	.	.			trans	-68.9	124	179.5	169.4	55.5	0	0	0	112.3	K490 N492 A570 L572	K490-N568 WeakPolarHBondContact O-CB 3.22Å; K490-N568 PolarHBondContact O-N 3.41Å; N492-N568 PolarHBondContact O-ND2 3.49Å; N568-A570 PolarHBondContact ND2-O 3.31Å; N568-A570 WeakPolarHBondContact OD1-CB 3.41Å; N568-A570 PolarHBondContact OD1-N 3.45Å; N568-L572 WeakPolarHBondContact ND2-CD1 3.12Å
569	F	98.3	Very high	87	Confident	16 Å²	16	68.6 Å²	68.6	7%	0.07	37%	0.366	C	S	.	.			trans	-100	-2.7	178.6	-83.1	-149.7	0	0	0	113.1	A494 L497 T520 I521 L559 L562 E563 V567	A494-F569 WeakPolarHBondContact CB-O 3.42Å; L497-F569 HydrophobicContact CD2-CD2 3.63Å; L497-F569 HydrophobicContact CD2-CE2 3.56Å; L497-F569 HydrophobicContact CD2-CZ 4.38Å; T520-F569 VanDerWaalsContact CA-O 3.22Å; T520-F569 WeakPolarHBondContact CA-O 3.47Å; I521-F569 HydrophobicContact CB-CB 4.32Å; I521-F569 HydrophobicContact CB-CD1 3.77Å; I521-F569 HydrophobicContact CB-CE1 4.3Å; I521-F569 HydrophobicContact CB-CG 4.13Å; I521-F569 HydrophobicContact CG1-CB 4.32Å; I521-F569 HydrophobicContact CG1-CD1 4.3Å; I521-F569 HydrophobicContact CG1-CG 4.19Å; I521-F569 HydrophobicContact CG2-CD1 4.2Å; I521-F569 HydrophobicContact CG2-CE1 4.24Å; I521-F569 PolarHBondContact N-O 2.95Å; L559-F569 HydrophobicContact CB-CE1 4.36Å; L559-F569 HydrophobicContact CB-CZ 4.35Å; L559-F569 HydrophobicContact CD2-CE1 4.22Å; L559-F569 HydrophobicContact CD2-CZ 4.03Å; L559-F569 VanDerWaalsContact O-CZ 3.31Å; L559-F569 WeakPolarHBondContact O-CZ 3.23Å; L562-F569 HydrophobicContact CB-CE2 4Å; L562-F569 HydrophobicContact CB-CZ 4.11Å; E563-F569 HydrophobicContact CB-CE1 4.24Å; E563-F569 HydrophobicContact CB-CE2 4.4Å; E563-F569 HydrophobicContact CB-CZ 3.99Å; V567-F569 HydrophobicContact CB-CE2 4.37Å; V567-F569 VanDerWaalsContact O-CD2 3.27Å; V567-F569 WeakPolarHBondContact O-CD2 3.42Å; V567-F569 PolarHBondContact O-N 2.98Å
570	A	97.7	Very high	85.8	Confident	34 Å²	34	69 Å²	69	28%	0.281	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-92.6	143.1	179	0	0	0	0	0	112.7	A494 T520 N568 L572	A494-A570 VanDerWaalsContact CB-C 3.43Å; A494-A570 WeakPolarHBondContact CB-O 3.39Å; A494-A570 PolarHBondContact N-O 2.68Å; T520-A570 HydrophobicContact CG2-CB 4.41Å; N568-A570 PolarHBondContact ND2-O 3.31Å; N568-A570 WeakPolarHBondContact OD1-CB 3.41Å; N568-A570 PolarHBondContact OD1-N 3.45Å; A570-L572 PolarHBondContact O-N 3.49Å
571	Y	95.4	Very high	85	Confident	22 Å²	22	69.8 Å²	69.8	9%	0.086	38%	0.375	C	S	.	.			trans	-69.3	121.7	168.8	-175.3	-119.8	0	0	0	109.9	S493 D495 R512 L515 E516 E519 G573	S493-Y571 VanDerWaalsContact OG-CD2 3.3Å; S493-Y571 WeakPolarHBondContact OG-CD2 3.29Å; D495-Y571 HydrophobicContact CB-CD2 4.21Å; D495-Y571 HydrophobicContact CB-CE2 4.16Å; R512-Y571 HydrophobicContact CG-CE2 4.19Å; L515-Y571 HydrophobicContact CB-CD2 3.75Å; L515-Y571 HydrophobicContact CB-CG 4.03Å; L515-Y571 WeakPolarHBondContact O-CB 3.35Å; E516-Y571 HydrophobicContact CB-CE1 4.37Å; E516-Y571 HydrophobicContact CG-CD1 4.45Å; E516-Y571 HydrophobicContact CG-CE1 3.56Å; E516-Y571 HydrophobicContact CG-CE2 4.4Å; E516-Y571 WeakPolarHBondContact CG-OH 3.21Å; E516-Y571 PolarHBondContact OE1-OH 3.46Å; E519-Y571 VanDerWaalsContact O-CB 3.3Å; E519-Y571 WeakPolarHBondContact O-CB 3.35Å; E519-Y571 PolarHBondContact O-N 2.87Å; Y571-G573 WeakPolarHBondContact CE1-O 3.5Å
572	L	93.1	Very high	84.3	Confident	107 Å²	107	67.3 Å²	67.3	56%	0.56	36%	0.364	S	S	*	.			trans	-106.1	-1.6	178.8	-53.5	179.6	0	0	0	112.4	E491 S493 N568 A570	E491-L572 VanDerWaalsContact O-CD1 3.31Å; E491-L572 WeakPolarHBondContact O-CD1 3.37Å; S493-L572 PolarHBondContact OG-N 3.44Å; N568-L572 WeakPolarHBondContact ND2-CD1 3.12Å; A570-L572 PolarHBondContact O-N 3.49Å
573	G	81.6	Confident	83.4	Confident	28 Å²	28	69.4 Å²	69.4	29%	0.289	38%	0.381	S	S	.	.	S	Bend	trans	-69.1	164.4	175.3	0	0	0	0	0	112.1	Y571 K575	Y571-G573 WeakPolarHBondContact CE1-O 3.5Å; G573-K575 PolarHBondContact O-N 3.29Å
574	K	72.5	Confident	82.3	Confident	113 Å²	113	68.1 Å²	68.1	49%	0.491	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-59.7	128.7	177.1	-70.9	-179.7	176	175.2	0	109.8	E603 D607	K574-E603 IonicContact NZ-OE1 2.77Å; K574-E603 PolarHBondContact NZ-OE1 2.95Å; K574-D607 VanDerWaalsContact CD-OD1 3.23Å; K574-D607 WeakPolarHBondContact CD-OD1 3.22Å; K574-D607 IonicContact NZ-OD1 3.18Å; K574-D607 PolarHBondContact NZ-OD1 3.17Å; K574-D607 IonicContact NZ-OD2 3.19Å; K574-D607 PolarHBondContact NZ-OD2 3.17Å
575	K	66.8	Low	81.8	Confident	124 Å²	124	64.1 Å²	64.1	54%	0.539	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-84.7	124	169.3	-63	-173.3	178.5	-167.5	0	108.5	E519 G573	E519-K575 IonicContact OE1-NZ 2.83Å; E519-K575 PolarHBondContact OE1-NZ 3.38Å; E519-K575 IonicContact OE2-NZ 3.65Å; E519-K575 PolarHBondContact OE2-NZ 3.11Å; G573-K575 PolarHBondContact O-N 3.29Å
576	V	62.8	Low	81.4	Confident	63 Å²	63	64.6 Å²	64.6	38%	0.382	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-80.1	122.2	166.8	-180	0	0	0	0	107.5	A580 Q606	V576-A580 HydrophobicContact CG1-CB 3.88Å; V576-Q606 WeakPolarHBondContact CG2-O 3.34Å
577	S	61.2	Low	81.1	Confident	66 Å²	66	62.2 Å²	62.2	46%	0.462	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-61.7	140.1	172.5	-179	0	0	0	0	110.2	D579 A580	S577-D579 PolarHBondContact O-N 3.5Å; S577-D579 PolarHBondContact OG-N 2.79Å; S577-D579 VanDerWaalsContact OG-N 3.16Å; S577-A580 WeakPolarHBondContact O-CB 3.41Å; S577-A580 PolarHBondContact O-N 3.31Å
578	K	60.2	Low	80.7	Confident	199 Å²	199	61.9 Å²	61.9	87%	0.865	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.2	170.3	-71.7	-174.4	178.9	178.2	0	112.4	A580	K578-A580 VanDerWaalsContact C-N 3.3Å
579	D	62.1	Low	80.2	Confident	152 Å²	152	60.2 Å²	60.2	81%	0.813	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	9	175.5	-54.8	-39.4	0	0	0	112.7	S577	S577-D579 PolarHBondContact O-N 3.5Å; S577-D579 PolarHBondContact OG-N 2.79Å; S577-D579 VanDerWaalsContact OG-N 3.16Å
580	A	71.8	Confident	79.8	Confident	19 Å²	19	59.8 Å²	59.8	16%	0.157	34%	0.338	C	S	.	.			trans	-62.5	141.8	178.2	0	0	0	0	0	110.5	V576 S577 K578 L582 A583 L608	V576-A580 HydrophobicContact CG1-CB 3.88Å; S577-A580 WeakPolarHBondContact O-CB 3.41Å; S577-A580 PolarHBondContact O-N 3.31Å; K578-A580 VanDerWaalsContact C-N 3.3Å; A580-L582 PolarHBondContact O-N 2.95Å; A580-A583 HydrophobicContact CB-CB 4.46Å; A580-A583 WeakPolarHBondContact O-CB 3.49Å; A580-A583 PolarHBondContact O-N 2.93Å; A580-L608 CarbonylContact C-O 3.53Å; A580-L608 VanDerWaalsContact CB-C 3.49Å; A580-L608 WeakPolarHBondContact CB-O 3.08Å
581	Q	80.7	Confident	79.2	Confident	119 Å²	119	59.1 Å²	59.1	56%	0.556	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.5	-165.2	-167	173.7	11	0	0	114.6	L608	Q581-L608 HydrophobicContact CB-CD2 4.32Å
582	L	83.4	Confident	78.7	Confident	8 Å²	8	65.2 Å²	65.2	4%	0.042	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	17.5	179	-53.6	179.9	0	0	0	112.7	A580 G584 L585 L605 L608 G609 A610 I622 W648 L652	A580-L582 PolarHBondContact O-N 2.95Å; L582-G584 PolarHBondContact O-N 3.38Å; L582-L585 HydrophobicContact CB-CD1 4.31Å; L582-L585 HydrophobicContact CD2-CD1 3.97Å; L582-L585 WeakPolarHBondContact O-CB 3.32Å; L582-L585 PolarHBondContact O-N 3.05Å; L582-L585 VanDerWaalsContact O-N 3.09Å; L582-L605 HydrophobicContact CD1-CD2 3.67Å; L582-L608 CarbonylContact C-O 3.54Å; L582-L608 VanDerWaalsContact CA-O 3.29Å; L582-L608 WeakPolarHBondContact CA-O 3.21Å; L582-L608 HydrophobicContact CB-CB 4.14Å; L582-L608 WeakPolarHBondContact CB-O 3.39Å; L582-L608 HydrophobicContact CD1-CB 3.91Å; L582-L608 HydrophobicContact CD1-CD1 4Å; L582-L608 HydrophobicContact CG-CB 3.95Å; L582-L608 HydrophobicContact CG-CD1 4.49Å; L582-L608 PolarHBondContact N-O 3.28Å; L582-G609 CarbonylContact O-C 3.51Å; L582-A610 HydrophobicContact CB-CB 3.91Å; L582-A610 HydrophobicContact CD1-CB 4.21Å; L582-A610 PolarHBondContact O-N 3.04Å; L582-I622 HydrophobicContact CD2-CD1 4.48Å; L582-W648 HydrophobicContact CD1-CH2 3.97Å; L582-W648 HydrophobicContact CD2-CH2 3.94Å; L582-W648 HydrophobicContact CD2-CZ2 4Å; L582-L652 HydrophobicContact CD1-CD1 3.78Å; L582-L652 HydrophobicContact CD2-CD1 4.16Å; L582-L652 HydrophobicContact CG-CD1 4.18Å
583	A	78.1	Confident	78.3	Confident	44 Å²	44	61 Å²	61	36%	0.364	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	127.5	-179.3	0	0	0	0	0	111.7	A580 L585 L608 G609	A580-A583 HydrophobicContact CB-CB 4.46Å; A580-A583 WeakPolarHBondContact O-CB 3.49Å; A580-A583 PolarHBondContact O-N 2.93Å; A583-L585 VanDerWaalsContact C-N 3.27Å; A583-L585 PolarHBondContact O-N 3.13Å; A583-L608 PolarHBondContact N-O 2.69Å; A583-G609 WeakPolarHBondContact CA-O 3.41Å
584	G	75.5	Confident	78.5	Confident	72 Å²	72	66.5 Å²	66.5	74%	0.742	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-9.1	178.8	0	0	0	0	0	115.4	L582 G609	L582-G584 PolarHBondContact O-N 3.38Å; G584-G609 PolarHBondContact N-O 3.06Å
585	L	87.2	Confident	79.1	Confident	55 Å²	55	69.3 Å²	69.3	29%	0.288	37%	0.365	S	S	.	.			trans	-81.4	137.1	177.6	-58.8	-179.4	0	0	0	111.3	L582 A583 A610 K611 D621 I622	L582-L585 HydrophobicContact CB-CD1 4.31Å; L582-L585 HydrophobicContact CD2-CD1 3.97Å; L582-L585 WeakPolarHBondContact O-CB 3.32Å; L582-L585 PolarHBondContact O-N 3.05Å; L582-L585 VanDerWaalsContact O-N 3.09Å; A583-L585 VanDerWaalsContact C-N 3.27Å; A583-L585 PolarHBondContact O-N 3.13Å; L585-A610 CarbonylContact O-C 3.58Å; L585-A610 VanDerWaalsContact O-CA 3.32Å; L585-A610 WeakPolarHBondContact O-CA 3.27Å; L585-K611 PolarHBondContact O-N 2.91Å; L585-D621 HydrophobicContact CB-CB 4.27Å; L585-D621 HydrophobicContact CD2-CB 4.03Å; L585-I622 HydrophobicContact CD1-CD1 3.96Å
586	T	86.5	Confident	79.9	Confident	19 Å²	19	65 Å²	65	12%	0.117	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.5	172.2	-61.4	0	0	0	0	110.2	K611 T613 K619 D621 I622	T586-K611 CarbonylContact C-O 3.59Å; T586-K611 VanDerWaalsContact CA-O 3.31Å; T586-K611 WeakPolarHBondContact CA-O 3.45Å; T586-T613 HydrophobicContact CG2-CG2 3.75Å; T586-T613 WeakPolarHBondContact CG2-OG1 3.21Å; T586-K619 VanDerWaalsContact CB-O 3.3Å; T586-K619 WeakPolarHBondContact CB-O 3.19Å; T586-D621 PolarHBondContact N-OD2 3.31Å; T586-D621 PolarHBondContact O-N 3.48Å; T586-I622 PolarHBondContact O-N 2.89Å
587	V	91	Very high	80.8	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.6	-175.6	-173.7	0	0	0	0	110.9	L605 A610 K611 V612 T613 I622 V624	V587-L605 HydrophobicContact CB-CD1 4.23Å; V587-L605 HydrophobicContact CB-CD2 4.32Å; V587-L605 HydrophobicContact CG1-CD1 3.65Å; V587-L605 HydrophobicContact CG1-CD2 3.89Å; V587-L605 HydrophobicContact CG1-CG 4.43Å; V587-L605 HydrophobicContact CG2-CD2 4.28Å; V587-A610 HydrophobicContact CB-CB 4.22Å; V587-A610 HydrophobicContact CG2-CB 3.54Å; V587-K611 PolarHBondContact N-O 3.25Å; V587-V612 CarbonylContact O-C 3.42Å; V587-V612 VanDerWaalsContact O-CA 3.27Å; V587-V612 WeakPolarHBondContact O-CA 3.48Å; V587-T613 PolarHBondContact O-N 3.44Å; V587-I622 CarbonylContact C-O 3.53Å; V587-I622 VanDerWaalsContact CA-O 3.25Å; V587-I622 WeakPolarHBondContact CA-O 3.37Å; V587-I622 HydrophobicContact CG1-CB 4.34Å; V587-I622 HydrophobicContact CG1-CG2 4.47Å; V587-I622 HydrophobicContact CG2-CB 4.14Å; V587-V624 HydrophobicContact CG1-CG2 3.85Å
588	V	90	Very high	81.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.2	173.5	176.3	0	0	0	0	109.6	T613 S615 V616 T620 I622 V623 V624 K632	V588-T613 WeakPolarHBondContact CG2-OG1 3.49Å; V588-S615 WeakPolarHBondContact CG2-O 3.29Å; V588-V616 HydrophobicContact CB-CG2 4.18Å; V588-V616 HydrophobicContact CG1-CG2 3.9Å; V588-V616 HydrophobicContact CG2-CG2 4.27Å; V588-T620 HydrophobicContact CB-CG2 4.19Å; V588-T620 HydrophobicContact CG2-CG2 3.59Å; V588-I622 PolarHBondContact N-O 3.45Å; V588-V623 HydrophobicContact CB-CG2 4.23Å; V588-V623 CarbonylContact O-C 3.58Å; V588-V623 VanDerWaalsContact O-CA 3.32Å; V588-V623 WeakPolarHBondContact O-CA 3.4Å; V588-V624 PolarHBondContact O-N 3.15Å; V588-K632 HydrophobicContact CG1-CD 4.25Å
589	L	88.6	Confident	82.3	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.4	168.8	-62.6	177.5	0	0	0	109.9	R598 A601 K602 L605 V624	L589-R598 PolarHBondContact O-NH2 3.45Å; L589-A601 HydrophobicContact CD1-CB 3.93Å; L589-A601 HydrophobicContact CD2-CB 4.29Å; L589-K602 HydrophobicContact CD1-CB 4.13Å; L589-L605 HydrophobicContact CD1-CD1 4.4Å; L589-L605 HydrophobicContact CD2-CD1 3.49Å; L589-L605 VanDerWaalsContact CD2-CD1 3.49Å; L589-L605 HydrophobicContact CG-CD1 3.96Å; L589-V624 HydrophobicContact CD2-CB 3.71Å; L589-V624 HydrophobicContact CD2-CG1 4.13Å; L589-V624 HydrophobicContact CD2-CG2 4.23Å
590	T	89.6	Confident	83.2	Confident	8 Å²	8	61.2 Å²	61.2	5%	0.049	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	156.8	172.6	-167.6	0	0	0	0	111.8	V623 V624 A625 G626 A629 K632	T590-V623 HydrophobicContact CG2-CG1 3.54Å; T590-V624 PolarHBondContact N-O 2.87Å; T590-A625 HydrophobicContact CG2-CB 3.84Å; T590-A625 WeakPolarHBondContact O-CA 3.19Å; T590-G626 PolarHBondContact O-N 3.04Å; T590-A629 HydrophobicContact CG2-CB 3.6Å; T590-A629 PolarHBondContact OG1-O 3.37Å; T590-K632 HydrophobicContact CG2-CB 4.3Å; T590-K632 WeakPolarHBondContact OG1-CB 3.47Å
591	G	84.8	Confident	83.6	Confident	19 Å²	19	60.3 Å²	60.3	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	74.1	-179.1	-174.5	0	0	0	0	0	113.8	R598 T627	G591-R598 PolarHBondContact O-NH1 3.2Å; G591-T627 CarbonylContact C-O 3.53Å; G591-T627 WeakPolarHBondContact CA-O 3.48Å
592	K	85.7	Confident	83.6	Confident	150 Å²	150	58.8 Å²	58.8	65%	0.652	31%	0.306	S	S	*	.	B	Isolated β-bridge	trans	-89.7	121.4	173.4	-175.1	-178.4	178	-172.4	0	108.9	G626 T627	K592-G626 CarbonylContact O-C 3.54Å; K592-G626 VanDerWaalsContact O-CA 3.3Å; K592-G626 WeakPolarHBondContact O-CA 3.43Å; K592-T627 PolarHBondContact N-O 3.26Å; K592-T627 PolarHBondContact O-N 3.46Å; K592-T627 PolarHBondContact O-OG1 3.42Å
593	L	84	Confident	83.3	Confident	19 Å²	19	62.9 Å²	62.9	10%	0.099	33%	0.325	C	S	.	.			trans	-83.1	131.3	172.2	-62.6	-177.9	0	0	0	107.7	L596 A601 E646	L593-L596 WeakPolarHBondContact CB-O 3.31Å; L593-A601 HydrophobicContact CD1-CB 3.36Å; L593-E646 WeakPolarHBondContact CB-OE1 3.15Å; L593-E646 HydrophobicContact CD2-CB 4.03Å; L593-E646 HydrophobicContact CD2-CG 4.17Å
594	E	85.9	Confident	83.5	Confident	144 Å²	144	63.5 Å²	63.5	67%	0.673	32%	0.319	S	S	*	.	S	Bend	trans	-87.7	-26.4	-173.7	-67.8	-172.3	172.1	0	0	112.5	T627 E646	E594-T627 WeakPolarHBondContact OE1-CG2 3.43Å; E594-E646 PolarHBondContact N-OE1 2.87Å; E594-E646 PolarHBondContact N-OE2 3.26Å
595	R	86.2	Confident	83.9	Confident	171 Å²	171	60 Å²	60	65%	0.645	28%	0.283	S	S	*	.	S	Bend	trans	-111.1	-36.8	-171.3	-58.5	176.2	179	-176.2	-0.4	113	E646 E650	R595-E646 WeakPolarHBondContact CA-OE1 3.39Å; R595-E646 WeakPolarHBondContact CB-OE1 3.43Å; R595-E646 PolarHBondContact N-OE1 2.77Å; R595-E646 PolarHBondContact N-OE2 3.06Å; R595-E650 WeakPolarHBondContact CD-OE2 3.36Å; R595-E650 IonicContact CZ-OE2 3.39Å; R595-E650 IonicContact NE-OE2 3.66Å; R595-E650 IonicContact NH1-OE2 3.01Å; R595-E650 PolarHBondContact NH1-OE2 2.83Å
596	L	83.2	Confident	83.6	Confident	34 Å²	34	61 Å²	61	18%	0.178	29%	0.287	C	S	.	.	S	Bend	trans	-108.5	139.3	178.3	-64.8	170.3	0	0	0	109.5	L593 E600 A601 E646 L649 E650	L593-L596 WeakPolarHBondContact CB-O 3.31Å; L596-E600 HydrophobicContact CD2-CB 4.22Å; L596-A601 HydrophobicContact CB-CB 4.19Å; L596-A601 HydrophobicContact CD1-CB 4.23Å; L596-E646 HydrophobicContact CD1-CG 4.44Å; L596-E646 PolarHBondContact N-OE1 3.13Å; L596-L649 HydrophobicContact CD1-CD2 4.23Å; L596-L649 HydrophobicContact CD1-CG 4.47Å; L596-E650 HydrophobicContact CD1-CG 4.2Å
597	T	81.8	Confident	83	Confident	76 Å²	76	63.4 Å²	63.4	47%	0.466	30%	0.299	S	S	.	.			trans	-67.2	156.8	163.5	66.3	0	0	0	0	110.2	N599 E600 A601	T597-N599 PolarHBondContact O-N 3.4Å; T597-N599 VanDerWaalsContact O-N 3.11Å; T597-E600 VanDerWaalsContact CB-OE2 3.3Å; T597-E600 WeakPolarHBondContact CB-OE2 3.25Å; T597-E600 VanDerWaalsContact CG2-OE2 3.31Å; T597-E600 WeakPolarHBondContact CG2-OE2 3.15Å; T597-E600 PolarHBondContact N-OE2 3.23Å; T597-E600 PolarHBondContact O-N 3.38Å; T597-E600 VanDerWaalsContact O-N 3.16Å; T597-E600 WeakPolarHBondContact OG1-CB 3.16Å; T597-E600 WeakPolarHBondContact OG1-CG 3.35Å; T597-E600 PolarHBondContact OG1-N 3.43Å; T597-E600 PolarHBondContact OG1-OE2 3.5Å; T597-A601 PolarHBondContact O-N 3.01Å
598	R	77.3	Confident	82.7	Confident	105 Å²	105	64.6 Å²	64.6	40%	0.396	31%	0.305	S	S	.	.	H	α-helix	trans	-53.6	-34.5	175.9	-166	108.6	176.3	156.8	6.8	112.6	L589 G591 K602	L589-R598 PolarHBondContact O-NH2 3.45Å; G591-R598 PolarHBondContact O-NH1 3.2Å; R598-K602 VanDerWaalsContact O-CB 3.27Å; R598-K602 WeakPolarHBondContact O-CB 3.32Å; R598-K602 PolarHBondContact O-N 3.07Å; R598-K602 VanDerWaalsContact O-N 3.15Å
599	N	74.8	Confident	82	Confident	122 Å²	122	65.3 Å²	65.3	65%	0.652	31%	0.312	S	S	*	.	H	α-helix	trans	-76.2	-44.6	-180	-71.9	-16.9	0	0	0	111.4	T597 A601 K602 E603	T597-N599 PolarHBondContact O-N 3.4Å; T597-N599 VanDerWaalsContact O-N 3.11Å; N599-A601 PolarHBondContact O-N 2.89Å; N599-K602 PolarHBondContact O-N 3.09Å; N599-E603 WeakPolarHBondContact O-CB 3.47Å; N599-E603 PolarHBondContact O-N 3.2Å
600	E	80.5	Confident	81.7	Confident	98 Å²	98	65.4 Å²	65.4	46%	0.458	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-44.1	175.9	-71.9	161.1	149.9	0	0	111.6	L596 T597 K602 E603 K604	L596-E600 HydrophobicContact CD2-CB 4.22Å; T597-E600 VanDerWaalsContact CB-OE2 3.3Å; T597-E600 WeakPolarHBondContact CB-OE2 3.25Å; T597-E600 VanDerWaalsContact CG2-OE2 3.31Å; T597-E600 WeakPolarHBondContact CG2-OE2 3.15Å; T597-E600 PolarHBondContact N-OE2 3.23Å; T597-E600 PolarHBondContact O-N 3.38Å; T597-E600 VanDerWaalsContact O-N 3.16Å; T597-E600 WeakPolarHBondContact OG1-CB 3.16Å; T597-E600 WeakPolarHBondContact OG1-CG 3.35Å; T597-E600 PolarHBondContact OG1-N 3.43Å; T597-E600 PolarHBondContact OG1-OE2 3.5Å; E600-K602 VanDerWaalsContact C-N 3.33Å; E600-K602 PolarHBondContact O-N 2.81Å; E600-E603 PolarHBondContact O-N 2.87Å; E600-K604 WeakPolarHBondContact O-CB 3.48Å; E600-K604 PolarHBondContact O-N 2.9Å
601	A	82	Confident	81.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-39.7	176.4	0	0	0	0	0	112.2	L589 L593 L596 T597 N599 L605 L649	L589-A601 HydrophobicContact CD1-CB 3.93Å; L589-A601 HydrophobicContact CD2-CB 4.29Å; L593-A601 HydrophobicContact CD1-CB 3.36Å; L596-A601 HydrophobicContact CB-CB 4.19Å; L596-A601 HydrophobicContact CD1-CB 4.23Å; T597-A601 PolarHBondContact O-N 3.01Å; N599-A601 PolarHBondContact O-N 2.89Å; A601-L605 WeakPolarHBondContact O-CB 3.23Å; A601-L605 VanDerWaalsContact O-CG 3.3Å; A601-L605 WeakPolarHBondContact O-CG 3.39Å; A601-L605 PolarHBondContact O-N 2.91Å; A601-L649 HydrophobicContact CB-CD2 3.83Å
602	K	79.8	Confident	81.2	Confident	87 Å²	87	70 Å²	70	38%	0.378	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-44.4	175.7	-179.3	179.6	176.4	-172.7	0	110.9	L589 R598 N599 E600 L605 Q606 V612	L589-K602 HydrophobicContact CD1-CB 4.13Å; R598-K602 VanDerWaalsContact O-CB 3.27Å; R598-K602 WeakPolarHBondContact O-CB 3.32Å; R598-K602 PolarHBondContact O-N 3.07Å; R598-K602 VanDerWaalsContact O-N 3.15Å; N599-K602 PolarHBondContact O-N 3.09Å; E600-K602 VanDerWaalsContact C-N 3.33Å; E600-K602 PolarHBondContact O-N 2.81Å; K602-L605 PolarHBondContact O-N 3.01Å; K602-Q606 WeakPolarHBondContact O-CB 3.42Å; K602-Q606 VanDerWaalsContact O-CG 3.22Å; K602-Q606 WeakPolarHBondContact O-CG 3.4Å; K602-Q606 PolarHBondContact O-N 3.1Å; K602-V612 HydrophobicContact CG-CB 4.19Å; K602-V612 HydrophobicContact CG-CG1 4.11Å; K602-V612 HydrophobicContact CG-CG2 4.2Å
603	E	77.4	Confident	81.1	Confident	94 Å²	94	64.5 Å²	64.5	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-47.5	177.5	-170.5	176.4	177.3	0	0	111	K574 N599 E600 L605 Q606 D607	K574-E603 IonicContact NZ-OE1 2.77Å; K574-E603 PolarHBondContact NZ-OE1 2.95Å; N599-E603 WeakPolarHBondContact O-CB 3.47Å; N599-E603 PolarHBondContact O-N 3.2Å; E600-E603 PolarHBondContact O-N 2.87Å; E603-L605 PolarHBondContact O-N 3.48Å; E603-Q606 CarbonylContact O-C 3.53Å; E603-Q606 PolarHBondContact O-N 3.07Å; E603-Q606 VanDerWaalsContact O-N 3.11Å; E603-D607 WeakPolarHBondContact O-CB 3.43Å; E603-D607 PolarHBondContact O-N 2.98Å
604	K	82	Confident	80.8	Confident	56 Å²	56	69.7 Å²	69.7	24%	0.243	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-44.3	177	-173.3	168.6	-172.3	-178.7	0	112.6	E600 Q606 D607 L608 L649 E650 L652	E600-K604 WeakPolarHBondContact O-CB 3.48Å; E600-K604 PolarHBondContact O-N 2.9Å; K604-Q606 VanDerWaalsContact C-N 3.33Å; K604-Q606 PolarHBondContact O-N 2.96Å; K604-D607 PolarHBondContact O-N 2.9Å; K604-L608 HydrophobicContact CG-CD1 4.16Å; K604-L608 VanDerWaalsContact O-CG 3.31Å; K604-L608 WeakPolarHBondContact O-CG 3.32Å; K604-L608 PolarHBondContact O-N 3.15Å; K604-L649 HydrophobicContact CD-CD1 4.23Å; K604-L649 HydrophobicContact CD-CG 4.27Å; K604-L649 WeakPolarHBondContact CE-O 3.11Å; K604-L649 HydrophobicContact CG-CD1 4.13Å; K604-L649 PolarHBondContact NZ-O 2.81Å; K604-E650 PolarHBondContact NZ-O 3.45Å; K604-L652 WeakPolarHBondContact CE-O 3.48Å; K604-L652 PolarHBondContact NZ-O 2.7Å
605	L	84.8	Confident	80.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-42.7	175.5	-77.3	171.1	0	0	0	111.9	L582 V587 L589 A601 K602 E603 L608 G609 A610 V612 L649	L582-L605 HydrophobicContact CD1-CD2 3.67Å; V587-L605 HydrophobicContact CB-CD1 4.23Å; V587-L605 HydrophobicContact CB-CD2 4.32Å; V587-L605 HydrophobicContact CG1-CD1 3.65Å; V587-L605 HydrophobicContact CG1-CD2 3.89Å; V587-L605 HydrophobicContact CG1-CG 4.43Å; V587-L605 HydrophobicContact CG2-CD2 4.28Å; L589-L605 HydrophobicContact CD1-CD1 4.4Å; L589-L605 HydrophobicContact CD2-CD1 3.49Å; L589-L605 VanDerWaalsContact CD2-CD1 3.49Å; L589-L605 HydrophobicContact CG-CD1 3.96Å; A601-L605 WeakPolarHBondContact O-CB 3.23Å; A601-L605 VanDerWaalsContact O-CG 3.3Å; A601-L605 WeakPolarHBondContact O-CG 3.39Å; A601-L605 PolarHBondContact O-N 2.91Å; K602-L605 PolarHBondContact O-N 3.01Å; E603-L605 PolarHBondContact O-N 3.48Å; L605-L608 CarbonylContact O-C 3.46Å; L605-L608 PolarHBondContact O-N 3.41Å; L605-G609 PolarHBondContact O-N 2.86Å; L605-A610 HydrophobicContact CB-CB 4.2Å; L605-A610 HydrophobicContact CD2-CB 4.38Å; L605-A610 VanDerWaalsContact O-CB 3.29Å; L605-A610 WeakPolarHBondContact O-CB 3.46Å; L605-A610 PolarHBondContact O-N 2.78Å; L605-V612 HydrophobicContact CB-CG2 3.64Å; L605-V612 HydrophobicContact CD1-CG2 3.98Å; L605-V612 HydrophobicContact CG-CG2 4.48Å; L605-L649 HydrophobicContact CD1-CD2 4.32Å; L605-L649 HydrophobicContact CD2-CD1 3.52Å; L605-L649 HydrophobicContact CD2-CD2 4.38Å; L605-L649 HydrophobicContact CG-CD1 3.79Å; L605-L649 HydrophobicContact CG-CD2 3.97Å
606	Q	79.2	Confident	80.4	Confident	76 Å²	76	58.5 Å²	58.5	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-39.8	177.2	-70.5	179.3	-64.4	0	0	111.7	V576 K602 E603 K604 L608 G609 V612	V576-Q606 WeakPolarHBondContact CG2-O 3.34Å; K602-Q606 WeakPolarHBondContact O-CB 3.42Å; K602-Q606 VanDerWaalsContact O-CG 3.22Å; K602-Q606 WeakPolarHBondContact O-CG 3.4Å; K602-Q606 PolarHBondContact O-N 3.1Å; E603-Q606 CarbonylContact O-C 3.53Å; E603-Q606 PolarHBondContact O-N 3.07Å; E603-Q606 VanDerWaalsContact O-N 3.11Å; K604-Q606 VanDerWaalsContact C-N 3.33Å; K604-Q606 PolarHBondContact O-N 2.96Å; Q606-L608 PolarHBondContact O-N 3.31Å; Q606-G609 WeakPolarHBondContact O-CA 3.41Å; Q606-G609 PolarHBondContact O-N 2.98Å; Q606-V612 HydrophobicContact CG-CG2 4.04Å
607	D	75.1	Confident	80.5	Confident	69 Å²	69	59 Å²	59	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-31.8	175.3	-74.3	-7	0	0	0	111.6	K574 E603 K604 G609	K574-D607 VanDerWaalsContact CD-OD1 3.23Å; K574-D607 WeakPolarHBondContact CD-OD1 3.22Å; K574-D607 IonicContact NZ-OD1 3.18Å; K574-D607 PolarHBondContact NZ-OD1 3.17Å; K574-D607 IonicContact NZ-OD2 3.19Å; K574-D607 PolarHBondContact NZ-OD2 3.17Å; E603-D607 WeakPolarHBondContact O-CB 3.43Å; E603-D607 PolarHBondContact O-N 2.98Å; K604-D607 PolarHBondContact O-N 2.9Å; D607-G609 VanDerWaalsContact C-N 3.28Å
608	L	83.4	Confident	80.6	Confident	25 Å²	25	64.5 Å²	64.5	13%	0.131	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.4	172.5	-65.6	167.3	0	0	0	113.6	A580 Q581 L582 A583 K604 L605 Q606 L649 L652	A580-L608 CarbonylContact C-O 3.53Å; A580-L608 VanDerWaalsContact CB-C 3.49Å; A580-L608 WeakPolarHBondContact CB-O 3.08Å; Q581-L608 HydrophobicContact CB-CD2 4.32Å; L582-L608 CarbonylContact C-O 3.54Å; L582-L608 VanDerWaalsContact CA-O 3.29Å; L582-L608 WeakPolarHBondContact CA-O 3.21Å; L582-L608 HydrophobicContact CB-CB 4.14Å; L582-L608 WeakPolarHBondContact CB-O 3.39Å; L582-L608 HydrophobicContact CD1-CB 3.91Å; L582-L608 HydrophobicContact CD1-CD1 4Å; L582-L608 HydrophobicContact CG-CB 3.95Å; L582-L608 HydrophobicContact CG-CD1 4.49Å; L582-L608 PolarHBondContact N-O 3.28Å; A583-L608 PolarHBondContact N-O 2.69Å; K604-L608 HydrophobicContact CG-CD1 4.16Å; K604-L608 VanDerWaalsContact O-CG 3.31Å; K604-L608 WeakPolarHBondContact O-CG 3.32Å; K604-L608 PolarHBondContact O-N 3.15Å; L605-L608 CarbonylContact O-C 3.46Å; L605-L608 PolarHBondContact O-N 3.41Å; Q606-L608 PolarHBondContact O-N 3.31Å; L608-L649 HydrophobicContact CD1-CD1 4.29Å; L608-L652 HydrophobicContact CD1-CB 3.53Å; L608-L652 HydrophobicContact CD1-CD1 3.7Å; L608-L652 HydrophobicContact CD1-CG 4.28Å; L608-L652 HydrophobicContact CD2-CB 4.41Å
609	G	75.8	Confident	80.9	Confident	15 Å²	15	67.7 Å²	67.7	16%	0.155	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	11.3	174.7	0	0	0	0	0	116.9	L582 A583 G584 L605 Q606 D607	L582-G609 CarbonylContact O-C 3.51Å; A583-G609 WeakPolarHBondContact CA-O 3.41Å; G584-G609 PolarHBondContact N-O 3.06Å; L605-G609 PolarHBondContact O-N 2.86Å; Q606-G609 WeakPolarHBondContact O-CA 3.41Å; Q606-G609 PolarHBondContact O-N 2.98Å; D607-G609 VanDerWaalsContact C-N 3.28Å
610	A	83.3	Confident	81.6	Confident	6 Å²	6	62.2 Å²	62.2	5%	0.05	31%	0.312	C	S	.	.			trans	-76.2	141.1	174.6	0	0	0	0	0	112.4	L582 L585 V587 L605 V612	L582-A610 HydrophobicContact CB-CB 3.91Å; L582-A610 HydrophobicContact CD1-CB 4.21Å; L582-A610 PolarHBondContact O-N 3.04Å; L585-A610 CarbonylContact O-C 3.58Å; L585-A610 VanDerWaalsContact O-CA 3.32Å; L585-A610 WeakPolarHBondContact O-CA 3.27Å; V587-A610 HydrophobicContact CB-CB 4.22Å; V587-A610 HydrophobicContact CG2-CB 3.54Å; L605-A610 HydrophobicContact CB-CB 4.2Å; L605-A610 HydrophobicContact CD2-CB 4.38Å; L605-A610 VanDerWaalsContact O-CB 3.29Å; L605-A610 WeakPolarHBondContact O-CB 3.46Å; L605-A610 PolarHBondContact O-N 2.78Å; A610-V612 PolarHBondContact O-N 3.38Å
611	K	80.4	Confident	82.1	Confident	93 Å²	93	60.9 Å²	60.9	40%	0.404	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.2	167.4	-178.5	179.5	-179.8	173.7	0	110.2	D536 L585 T586 V587 T613	D536-K611 IonicContact OD2-NZ 3.5Å; D536-K611 PolarHBondContact OD2-NZ 2.83Å; L585-K611 PolarHBondContact O-N 2.91Å; T586-K611 CarbonylContact C-O 3.59Å; T586-K611 VanDerWaalsContact CA-O 3.31Å; T586-K611 WeakPolarHBondContact CA-O 3.45Å; V587-K611 PolarHBondContact N-O 3.25Å; K611-T613 HydrophobicContact CG-CG2 4.28Å
612	V	83.5	Confident	82.7	Confident	29 Å²	29	61.4 Å²	61.4	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.4	178.8	-172.6	0	0	0	0	111.6	V587 K602 L605 Q606 A610	V587-V612 CarbonylContact O-C 3.42Å; V587-V612 VanDerWaalsContact O-CA 3.27Å; V587-V612 WeakPolarHBondContact O-CA 3.48Å; K602-V612 HydrophobicContact CG-CB 4.19Å; K602-V612 HydrophobicContact CG-CG1 4.11Å; K602-V612 HydrophobicContact CG-CG2 4.2Å; L605-V612 HydrophobicContact CB-CG2 3.64Å; L605-V612 HydrophobicContact CD1-CG2 3.98Å; L605-V612 HydrophobicContact CG-CG2 4.48Å; Q606-V612 HydrophobicContact CG-CG2 4.04Å; A610-V612 PolarHBondContact O-N 3.38Å
613	T	82	Confident	83.3	Confident	35 Å²	35	57.3 Å²	57.3	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	159.2	178.3	59.7	0	0	0	0	112.2	T586 V587 V588 K611	T586-T613 HydrophobicContact CG2-CG2 3.75Å; T586-T613 WeakPolarHBondContact CG2-OG1 3.21Å; V587-T613 PolarHBondContact O-N 3.44Å; V588-T613 WeakPolarHBondContact CG2-OG1 3.49Å; K611-T613 HydrophobicContact CG-CG2 4.28Å
614	N	79.4	Confident	84	Confident	129 Å²	129	52.8 Å²	52.8	69%	0.69	27%	0.272	S	S	*	.	S	Bend	trans	-89.2	-14.4	-175.1	-75.1	-21	0	0	0	113.9	K632	N614-K632 WeakPolarHBondContact O-CE 3.44Å; N614-K632 PolarHBondContact O-NZ 2.89Å
615	S	80.7	Confident	84.4	Confident	77 Å²	77	50.9 Å²	50.9	54%	0.538	27%	0.266	S	S	.	.	S	Bend	trans	-133.1	141	-173.8	54.4	0	0	0	0	111.2	V588	V588-S615 WeakPolarHBondContact CG2-O 3.29Å
616	V	81.4	Confident	84.6	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.018	28%	0.275	C	S	.	.			trans	-77.5	128.3	174.8	-178.6	0	0	0	0	109.2	V588 V623 K632 K635 A636 L639 I641	V588-V616 HydrophobicContact CB-CG2 4.18Å; V588-V616 HydrophobicContact CG1-CG2 3.9Å; V588-V616 HydrophobicContact CG2-CG2 4.27Å; V616-V623 HydrophobicContact CG1-CG2 4.43Å; V616-V623 HydrophobicContact CG2-CG2 3.89Å; V616-K632 HydrophobicContact CG2-CB 3.94Å; V616-K635 HydrophobicContact CB-CB 4.49Å; V616-K635 HydrophobicContact CB-CD 4.23Å; V616-K635 HydrophobicContact CB-CG 4.4Å; V616-K635 HydrophobicContact CG1-CG 4.33Å; V616-K635 VanDerWaalsContact O-CE 3.26Å; V616-K635 WeakPolarHBondContact O-CE 3.32Å; V616-K635 PolarHBondContact O-NZ 2.89Å; V616-A636 HydrophobicContact CG1-CB 4.11Å; V616-L639 HydrophobicContact CG1-CD1 4.3Å; V616-I641 HydrophobicContact CG1-CD1 3.51Å
617	S	86.9	Confident	84.8	Confident	44 Å²	44	51 Å²	51	31%	0.308	28%	0.276	S	S	.	.			trans	-136.7	173.2	177.9	78.1	0	0	0	0	110.4	K619 T620 I641	S617-K619 PolarHBondContact O-N 2.89Å; S617-K619 VanDerWaalsContact O-N 3.11Å; S617-K619 PolarHBondContact OG-N 3.38Å; S617-K619 VanDerWaalsContact OG-N 3.15Å; S617-T620 PolarHBondContact N-OG1 2.91Å; S617-T620 VanDerWaalsContact O-CB 3.32Å; S617-T620 WeakPolarHBondContact O-CB 3.14Å; S617-T620 PolarHBondContact O-N 3.42Å; S617-T620 PolarHBondContact O-OG1 3.32Å; S617-I641 VanDerWaalsContact O-CD1 3.31Å; S617-I641 WeakPolarHBondContact O-CD1 3.44Å
618	K	83.5	Confident	85	Confident	192 Å²	192	55.1 Å²	55.1	84%	0.835	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.7	172.9	-67.1	-174.7	178.3	-176.6	0	114	L639	K618-L639 HydrophobicContact CG-CD2 4.17Å
619	K	84.1	Confident	84.8	Confident	172 Å²	172	54.3 Å²	54.3	75%	0.748	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.1	176.3	-60.7	-173.2	177.3	-173.1	0	112.9	T586 S617	T586-K619 VanDerWaalsContact CB-O 3.3Å; T586-K619 WeakPolarHBondContact CB-O 3.19Å; S617-K619 PolarHBondContact O-N 2.89Å; S617-K619 VanDerWaalsContact O-N 3.11Å; S617-K619 PolarHBondContact OG-N 3.38Å; S617-K619 VanDerWaalsContact OG-N 3.15Å
620	T	88.5	Confident	85.1	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.037	31%	0.311	C	S	.	.			trans	-82.5	125.5	177.7	-57.2	0	0	0	0	108.4	V588 S617 I622 V623 I641	V588-T620 HydrophobicContact CB-CG2 4.19Å; V588-T620 HydrophobicContact CG2-CG2 3.59Å; S617-T620 PolarHBondContact N-OG1 2.91Å; S617-T620 VanDerWaalsContact O-CB 3.32Å; S617-T620 WeakPolarHBondContact O-CB 3.14Å; S617-T620 PolarHBondContact O-N 3.42Å; S617-T620 PolarHBondContact O-OG1 3.32Å; T620-I622 WeakPolarHBondContact CG2-O 3.46Å; T620-V623 HydrophobicContact CG2-CG2 3.94Å; T620-I641 HydrophobicContact CG2-CG2 4.18Å; T620-I641 WeakPolarHBondContact O-CG1 3.41Å; T620-I641 WeakPolarHBondContact O-CG2 3.12Å
621	D	91.8	Very high	85.1	Confident	71 Å²	71	60.5 Å²	60.5	38%	0.38	34%	0.343	S	S	.	.			trans	-89.4	-41.7	-178.5	-57.9	-75.1	0	0	0	111.4	L585 T586 I641 D642	L585-D621 HydrophobicContact CB-CB 4.27Å; L585-D621 HydrophobicContact CD2-CB 4.03Å; T586-D621 PolarHBondContact N-OD2 3.31Å; T586-D621 PolarHBondContact O-N 3.48Å; D621-I641 WeakPolarHBondContact O-CG2 3.36Å; D621-D642 PolarHBondContact O-N 2.83Å
622	I	93.6	Very high	85.4	Confident	11 Å²	11	59 Å²	59	6%	0.056	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.9	-177.3	-53.6	174.5	0	0	0	110.6	L582 L585 T586 V587 V588 T620 V624 D642 R644 W648	L582-I622 HydrophobicContact CD2-CD1 4.48Å; L585-I622 HydrophobicContact CD1-CD1 3.96Å; T586-I622 PolarHBondContact O-N 2.89Å; V587-I622 CarbonylContact C-O 3.53Å; V587-I622 VanDerWaalsContact CA-O 3.25Å; V587-I622 WeakPolarHBondContact CA-O 3.37Å; V587-I622 HydrophobicContact CG1-CB 4.34Å; V587-I622 HydrophobicContact CG1-CG2 4.47Å; V587-I622 HydrophobicContact CG2-CB 4.14Å; V588-I622 PolarHBondContact N-O 3.45Å; T620-I622 WeakPolarHBondContact CG2-O 3.46Å; I622-V624 HydrophobicContact CG2-CG2 4.44Å; I622-D642 CarbonylContact C-O 3.42Å; I622-D642 WeakPolarHBondContact CA-O 3.28Å; I622-D642 HydrophobicContact CG1-CB 4.48Å; I622-R644 HydrophobicContact CG2-CB 4.17Å; I622-R644 HydrophobicContact CG2-CG 3.69Å; I622-W648 HydrophobicContact CD1-CH2 3.64Å; I622-W648 HydrophobicContact CD1-CZ2 3.89Å; I622-W648 HydrophobicContact CG2-CH2 4.13Å; I622-W648 HydrophobicContact CG2-CZ3 4.16Å
623	V	93.2	Very high	85.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.1	166.5	177.8	0	0	0	0	109.3	V588 T590 V616 T620 A636 I641 D642 V643 R644	V588-V623 HydrophobicContact CB-CG2 4.23Å; V588-V623 CarbonylContact O-C 3.58Å; V588-V623 VanDerWaalsContact O-CA 3.32Å; V588-V623 WeakPolarHBondContact O-CA 3.4Å; T590-V623 HydrophobicContact CG2-CG1 3.54Å; V616-V623 HydrophobicContact CG1-CG2 4.43Å; V616-V623 HydrophobicContact CG2-CG2 3.89Å; T620-V623 HydrophobicContact CG2-CG2 3.94Å; V623-A636 HydrophobicContact CB-CB 4.1Å; V623-A636 HydrophobicContact CG1-CB 4.43Å; V623-A636 HydrophobicContact CG2-CB 3.59Å; V623-I641 HydrophobicContact CG2-CG2 3.99Å; V623-D642 PolarHBondContact N-O 3.11Å; V623-V643 CarbonylContact O-C 3.56Å; V623-V643 WeakPolarHBondContact O-CA 3.48Å; V623-R644 PolarHBondContact O-N 3.5Å
624	V	92.6	Very high	85.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.3	171.1	-176.7	0	0	0	0	107.8	V587 V588 L589 T590 I622 R644 W648	V587-V624 HydrophobicContact CG1-CG2 3.85Å; V588-V624 PolarHBondContact O-N 3.15Å; L589-V624 HydrophobicContact CD2-CB 3.71Å; L589-V624 HydrophobicContact CD2-CG1 4.13Å; L589-V624 HydrophobicContact CD2-CG2 4.23Å; T590-V624 PolarHBondContact N-O 2.87Å; I622-V624 HydrophobicContact CG2-CG2 4.44Å; V624-R644 CarbonylContact C-O 3.5Å; V624-R644 VanDerWaalsContact CA-O 3.3Å; V624-R644 WeakPolarHBondContact CA-O 3.49Å; V624-W648 HydrophobicContact CG2-CE3 4.1Å; V624-W648 HydrophobicContact CG2-CZ3 3.76Å
625	A	90.1	Very high	86.1	Confident	15 Å²	15	61.1 Å²	61.1	12%	0.124	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.6	-175	0	0	0	0	0	111.3	T590 A629 L633 V643 R644	T590-A625 HydrophobicContact CG2-CB 3.84Å; T590-A625 WeakPolarHBondContact O-CA 3.19Å; A625-A629 HydrophobicContact CB-CB 3.99Å; A625-L633 HydrophobicContact CB-CD1 4.19Å; A625-V643 HydrophobicContact CB-CG1 3.98Å; A625-R644 PolarHBondContact N-O 2.96Å
626	G	88.4	Confident	86.4	Confident	19 Å²	19	57.5 Å²	57.5	20%	0.196	32%	0.318	C	S	.	.			trans	-89.3	-165.7	164.5	0	0	0	0	0	112.5	T590 K592	T590-G626 PolarHBondContact O-N 3.04Å; K592-G626 CarbonylContact O-C 3.54Å; K592-G626 VanDerWaalsContact O-CA 3.3Å; K592-G626 WeakPolarHBondContact O-CA 3.43Å
627	T	82.6	Confident	86.8	Confident	59 Å²	59	63.1 Å²	63.1	36%	0.362	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-64	148.6	174.9	49	0	0	0	0	111	G591 K592 E594 A629	G591-T627 CarbonylContact C-O 3.53Å; G591-T627 WeakPolarHBondContact CA-O 3.48Å; K592-T627 PolarHBondContact N-O 3.26Å; K592-T627 PolarHBondContact O-N 3.46Å; K592-T627 PolarHBondContact O-OG1 3.42Å; E594-T627 WeakPolarHBondContact OE1-CG2 3.43Å; T627-A629 VanDerWaalsContact C-N 3.3Å; T627-A629 PolarHBondContact O-N 2.93Å
628	D	79.4	Confident	86.9	Confident	156 Å²	156	65.1 Å²	65.1	83%	0.834	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	33.9	179.9	-55.6	-32.6	0	0	0	115.6	G630	D628-G630 PolarHBondContact O-N 2.86Å
629	A	79.3	Confident	87.2	Confident	9 Å²	9	59.4 Å²	59.4	7%	0.074	34%	0.342	C	S	.	.			trans	-61.5	-14.7	-177.3	0	0	0	0	0	116.5	T590 A625 T627 L633	T590-A629 HydrophobicContact CG2-CB 3.6Å; T590-A629 PolarHBondContact OG1-O 3.37Å; A625-A629 HydrophobicContact CB-CB 3.99Å; T627-A629 VanDerWaalsContact C-N 3.3Å; T627-A629 PolarHBondContact O-N 2.93Å; A629-L633 HydrophobicContact CB-CB 3.75Å; A629-L633 HydrophobicContact CB-CD2 3.99Å; A629-L633 HydrophobicContact CB-CG 4.47Å
630	G	83.4	Confident	87.4	Confident	48 Å²	48	54.6 Å²	54.6	50%	0.495	34%	0.34	S	S	.	.	H	α-helix	trans	51.9	-136.4	167.6	0	0	0	0	0	115.2	D628 K632 L633 T634	D628-G630 PolarHBondContact O-N 2.86Å; G630-K632 VanDerWaalsContact C-N 3.34Å; G630-K632 PolarHBondContact O-N 2.98Å; G630-L633 PolarHBondContact O-N 3.2Å; G630-T634 PolarHBondContact O-N 3.47Å; G630-T634 PolarHBondContact O-OG1 3.01Å
631	S	83.1	Confident	87.6	Confident	102 Å²	102	55.3 Å²	55.3	71%	0.713	34%	0.344	S	S	*	.	H	α-helix	trans	-63.8	-29.2	-169.3	59.7	0	0	0	0	115.2	K635	S631-K635 WeakPolarHBondContact O-CB 3.26Å; S631-K635 PolarHBondContact O-N 3.25Å
632	K	85.6	Confident	87.6	Confident	61 Å²	61	55 Å²	55	27%	0.265	34%	0.342	S	S	.	.	H	α-helix	trans	-71	-38.1	178.5	-64	-176.4	-167.6	-178.2	0	111.5	V588 T590 N614 V616 G630 K635 A636	V588-K632 HydrophobicContact CG1-CD 4.25Å; T590-K632 HydrophobicContact CG2-CB 4.3Å; T590-K632 WeakPolarHBondContact OG1-CB 3.47Å; N614-K632 WeakPolarHBondContact O-CE 3.44Å; N614-K632 PolarHBondContact O-NZ 2.89Å; V616-K632 HydrophobicContact CG2-CB 3.94Å; G630-K632 VanDerWaalsContact C-N 3.34Å; G630-K632 PolarHBondContact O-N 2.98Å; K632-K635 PolarHBondContact O-N 2.78Å; K632-A636 WeakPolarHBondContact O-CB 3.39Å; K632-A636 PolarHBondContact O-N 3.13Å
633	L	87.5	Confident	87.6	Confident	42 Å²	42	56.9 Å²	56.9	22%	0.22	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-46.9	175.6	175.1	60.8	0	0	0	110.8	A625 A629 G630 K635 A636 Q637 V643	A625-L633 HydrophobicContact CB-CD1 4.19Å; A629-L633 HydrophobicContact CB-CB 3.75Å; A629-L633 HydrophobicContact CB-CD2 3.99Å; A629-L633 HydrophobicContact CB-CG 4.47Å; G630-L633 PolarHBondContact O-N 3.2Å; L633-K635 VanDerWaalsContact C-N 3.28Å; L633-K635 PolarHBondContact O-N 3.03Å; L633-A636 WeakPolarHBondContact O-CB 3.45Å; L633-A636 PolarHBondContact O-N 2.95Å; L633-A636 VanDerWaalsContact O-N 3.13Å; L633-Q637 HydrophobicContact CD1-CG 4.28Å; L633-Q637 WeakPolarHBondContact O-CG 3.41Å; L633-Q637 PolarHBondContact O-N 3.36Å; L633-V643 HydrophobicContact CD1-CB 4.39Å; L633-V643 HydrophobicContact CD1-CG1 3.57Å; L633-V643 HydrophobicContact CD1-CG2 3.94Å
634	T	86.1	Confident	87.6	Confident	88 Å²	88	61.6 Å²	61.6	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-58	-42.5	175.6	-47.7	0	0	0	0	111.5	G630 Q637 A638	G630-T634 PolarHBondContact O-N 3.47Å; G630-T634 PolarHBondContact O-OG1 3.01Å; T634-Q637 PolarHBondContact O-N 2.8Å; T634-A638 WeakPolarHBondContact O-CB 3.3Å; T634-A638 PolarHBondContact O-N 3.3Å
635	K	86.1	Confident	87.5	Confident	109 Å²	109	65.8 Å²	65.8	47%	0.474	40%	0.395	S	S	.	.	H	α-helix	trans	-65.8	-37.7	177.2	-167.9	176	-175.7	-167.6	0	112.6	V616 S631 K632 L633 L639	V616-K635 HydrophobicContact CB-CB 4.49Å; V616-K635 HydrophobicContact CB-CD 4.23Å; V616-K635 HydrophobicContact CB-CG 4.4Å; V616-K635 HydrophobicContact CG1-CG 4.33Å; V616-K635 VanDerWaalsContact O-CE 3.26Å; V616-K635 WeakPolarHBondContact O-CE 3.32Å; V616-K635 PolarHBondContact O-NZ 2.89Å; S631-K635 WeakPolarHBondContact O-CB 3.26Å; S631-K635 PolarHBondContact O-N 3.25Å; K632-K635 PolarHBondContact O-N 2.78Å; L633-K635 VanDerWaalsContact C-N 3.28Å; L633-K635 PolarHBondContact O-N 3.03Å; K635-L639 HydrophobicContact CG-CD1 4.31Å; K635-L639 WeakPolarHBondContact O-CG 3.48Å; K635-L639 PolarHBondContact O-N 3.32Å
636	A	87.9	Confident	87.5	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-47	176.5	0	0	0	0	0	111.5	V616 V623 K632 L633 A638 L639 G640 I641 V643	V616-A636 HydrophobicContact CG1-CB 4.11Å; V623-A636 HydrophobicContact CB-CB 4.1Å; V623-A636 HydrophobicContact CG1-CB 4.43Å; V623-A636 HydrophobicContact CG2-CB 3.59Å; K632-A636 WeakPolarHBondContact O-CB 3.39Å; K632-A636 PolarHBondContact O-N 3.13Å; L633-A636 WeakPolarHBondContact O-CB 3.45Å; L633-A636 PolarHBondContact O-N 2.95Å; L633-A636 VanDerWaalsContact O-N 3.13Å; A636-A638 PolarHBondContact O-N 3.2Å; A636-L639 CarbonylContact O-C 3.47Å; A636-L639 PolarHBondContact O-N 3.4Å; A636-L639 VanDerWaalsContact O-N 3.16Å; A636-G640 PolarHBondContact O-N 3.08Å; A636-I641 HydrophobicContact CB-CB 4.28Å; A636-I641 PolarHBondContact O-N 3.27Å; A636-V643 HydrophobicContact CB-CG2 4.16Å
637	Q	90.2	Very high	87.5	Confident	122 Å²	122	67 Å²	67	57%	0.57	40%	0.4	S	S	*	.	H	α-helix	trans	-60.7	-43.1	176.3	-69.9	170.6	-24.5	0	0	111.8	L633 T634 L639 G640	L633-Q637 HydrophobicContact CD1-CG 4.28Å; L633-Q637 WeakPolarHBondContact O-CG 3.41Å; L633-Q637 PolarHBondContact O-N 3.36Å; T634-Q637 PolarHBondContact O-N 2.8Å; Q637-L639 PolarHBondContact O-N 3Å; Q637-G640 PolarHBondContact O-N 2.94Å; Q637-G640 VanDerWaalsContact O-N 3.15Å
638	A	87.5	Confident	88	Confident	86 Å²	86	66.1 Å²	66.1	71%	0.711	39%	0.39	S	S	*	.	H	α-helix	trans	-64.5	-27.1	177.5	0	0	0	0	0	113.7	T634 A636	T634-A638 WeakPolarHBondContact O-CB 3.3Å; T634-A638 PolarHBondContact O-N 3.3Å; A636-A638 PolarHBondContact O-N 3.2Å
639	L	89.5	Confident	88.4	Confident	72 Å²	72	58.7 Å²	58.7	38%	0.377	35%	0.35	S	S	.	.	H	α-helix	trans	-93.4	-3.5	177	-68.2	176.4	0	0	0	113.3	V616 K618 K635 A636 Q637 I641	V616-L639 HydrophobicContact CG1-CD1 4.3Å; K618-L639 HydrophobicContact CG-CD2 4.17Å; K635-L639 HydrophobicContact CG-CD1 4.31Å; K635-L639 WeakPolarHBondContact O-CG 3.48Å; K635-L639 PolarHBondContact O-N 3.32Å; A636-L639 CarbonylContact O-C 3.47Å; A636-L639 PolarHBondContact O-N 3.4Å; A636-L639 VanDerWaalsContact O-N 3.16Å; Q637-L639 PolarHBondContact O-N 3Å; L639-I641 VanDerWaalsContact C-N 3.34Å; L639-I641 HydrophobicContact CB-CD1 3.65Å; L639-I641 HydrophobicContact CB-CG1 3.89Å; L639-I641 HydrophobicContact CD1-CD1 3.84Å; L639-I641 HydrophobicContact CG-CD1 4.41Å
640	G	89.5	Confident	88.7	Confident	70 Å²	70	61.8 Å²	61.8	72%	0.722	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	28.1	-177.3	0	0	0	0	0	114.2	A636 Q637	A636-G640 PolarHBondContact O-N 3.08Å; Q637-G640 PolarHBondContact O-N 2.94Å; Q637-G640 VanDerWaalsContact O-N 3.15Å
641	I	91.9	Very high	88.9	Confident	21 Å²	21	63.9 Å²	63.9	11%	0.108	37%	0.37	C	S	.	.			trans	-81.2	143.5	-179.3	-63.7	164.2	0	0	0	109.7	V616 S617 T620 D621 V623 A636 L639 V643	V616-I641 HydrophobicContact CG1-CD1 3.51Å; S617-I641 VanDerWaalsContact O-CD1 3.31Å; S617-I641 WeakPolarHBondContact O-CD1 3.44Å; T620-I641 HydrophobicContact CG2-CG2 4.18Å; T620-I641 WeakPolarHBondContact O-CG1 3.41Å; T620-I641 WeakPolarHBondContact O-CG2 3.12Å; D621-I641 WeakPolarHBondContact O-CG2 3.36Å; V623-I641 HydrophobicContact CG2-CG2 3.99Å; A636-I641 HydrophobicContact CB-CB 4.28Å; A636-I641 PolarHBondContact O-N 3.27Å; L639-I641 VanDerWaalsContact C-N 3.34Å; L639-I641 HydrophobicContact CB-CD1 3.65Å; L639-I641 HydrophobicContact CB-CG1 3.89Å; L639-I641 HydrophobicContact CD1-CD1 3.84Å; L639-I641 HydrophobicContact CG-CD1 4.41Å; I641-V643 PolarHBondContact O-N 2.55Å
642	D	92.8	Very high	88.9	Confident	65 Å²	65	61.9 Å²	61.9	35%	0.348	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	127.1	179.6	-170.4	12.9	0	0	0	110.6	D621 I622 V623 R644	D621-D642 PolarHBondContact O-N 2.83Å; I622-D642 CarbonylContact C-O 3.42Å; I622-D642 WeakPolarHBondContact CA-O 3.28Å; I622-D642 HydrophobicContact CG1-CB 4.48Å; V623-D642 PolarHBondContact N-O 3.11Å; D642-R644 IonicContact OD1-CZ 3.5Å; D642-R644 IonicContact OD1-NE 2.94Å; D642-R644 PolarHBondContact OD1-NE 2.71Å; D642-R644 IonicContact OD1-NH2 3.26Å; D642-R644 IonicContact OD2-CZ 3.86Å; D642-R644 VanDerWaalsContact OD2-CZ 3.25Å; D642-R644 IonicContact OD2-NE 3.8Å; D642-R644 PolarHBondContact OD2-NE 3Å; D642-R644 IonicContact OD2-NH2 3.86Å; D642-R644 PolarHBondContact OD2-NH2 3.22Å
643	V	92.6	Very high	89.1	Confident	51 Å²	51	61.9 Å²	61.9	31%	0.309	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122	-179.8	-178	0	0	0	0	108.7	V623 A625 L633 A636 I641	V623-V643 CarbonylContact O-C 3.56Å; V623-V643 WeakPolarHBondContact O-CA 3.48Å; A625-V643 HydrophobicContact CB-CG1 3.98Å; L633-V643 HydrophobicContact CD1-CB 4.39Å; L633-V643 HydrophobicContact CD1-CG1 3.57Å; L633-V643 HydrophobicContact CD1-CG2 3.94Å; A636-V643 HydrophobicContact CB-CG2 4.16Å; I641-V643 PolarHBondContact O-N 2.55Å
644	R	94.2	Very high	89.2	Confident	98 Å²	98	62.9 Å²	62.9	37%	0.37	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157.3	178.6	-59.7	-63.3	178.6	149.8	-0.1	110	I622 V623 V624 A625 D642 W648	I622-R644 HydrophobicContact CG2-CB 4.17Å; I622-R644 HydrophobicContact CG2-CG 3.69Å; V623-R644 PolarHBondContact O-N 3.5Å; V624-R644 CarbonylContact C-O 3.5Å; V624-R644 VanDerWaalsContact CA-O 3.3Å; V624-R644 WeakPolarHBondContact CA-O 3.49Å; A625-R644 PolarHBondContact N-O 2.96Å; D642-R644 IonicContact OD1-CZ 3.5Å; D642-R644 IonicContact OD1-NE 2.94Å; D642-R644 PolarHBondContact OD1-NE 2.71Å; D642-R644 IonicContact OD1-NH2 3.26Å; D642-R644 IonicContact OD2-CZ 3.86Å; D642-R644 VanDerWaalsContact OD2-CZ 3.25Å; D642-R644 IonicContact OD2-NE 3.8Å; D642-R644 PolarHBondContact OD2-NE 3Å; D642-R644 IonicContact OD2-NH2 3.86Å; D642-R644 PolarHBondContact OD2-NH2 3.22Å; R644-W648 HydrophobicContact CB-CB 4Å; R644-W648 HydrophobicContact CB-CD2 3.57Å; R644-W648 HydrophobicContact CB-CE3 3.43Å; R644-W648 VanDerWaalsContact CB-CE3 3.43Å; R644-W648 HydrophobicContact CB-CG 3.83Å; R644-W648 HydrophobicContact CB-CZ3 4.14Å; R644-W648 HydrophobicContact CG-CD2 3.55Å; R644-W648 HydrophobicContact CG-CE3 3.76Å; R644-W648 HydrophobicContact CG-CG 3.91Å; R644-W648 HydrophobicContact CG-CH2 4.46Å; R644-W648 HydrophobicContact CG-CZ2 4.29Å; R644-W648 HydrophobicContact CG-CZ3 4.22Å
645	D	90.8	Very high	89.3	Confident	89 Å²	89	61.6 Å²	61.6	48%	0.476	35%	0.353	S	S	.	.			trans	-96.7	176.8	173.7	62.3	9.6	0	0	0	111	A647 W648	D645-A647 VanDerWaalsContact C-N 3.26Å; D645-A647 PolarHBondContact O-N 3.02Å; D645-A647 PolarHBondContact OD1-N 3.39Å; D645-W648 PolarHBondContact O-N 3.44Å; D645-W648 WeakPolarHBondContact OD1-CB 3.47Å; D645-W648 PolarHBondContact OD1-N 2.69Å
646	E	89.5	Confident	89.5	Confident	17 Å²	17	58.8 Å²	58.8	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-35.8	175.1	-174.7	172.3	-156.6	0	0	112.6	L593 E594 R595 L596 W648 L649 E650	L593-E646 WeakPolarHBondContact CB-OE1 3.15Å; L593-E646 HydrophobicContact CD2-CB 4.03Å; L593-E646 HydrophobicContact CD2-CG 4.17Å; E594-E646 PolarHBondContact N-OE1 2.87Å; E594-E646 PolarHBondContact N-OE2 3.26Å; R595-E646 WeakPolarHBondContact CA-OE1 3.39Å; R595-E646 WeakPolarHBondContact CB-OE1 3.43Å; R595-E646 PolarHBondContact N-OE1 2.77Å; R595-E646 PolarHBondContact N-OE2 3.06Å; L596-E646 HydrophobicContact CD1-CG 4.44Å; L596-E646 PolarHBondContact N-OE1 3.13Å; E646-W648 VanDerWaalsContact C-N 3.34Å; E646-W648 PolarHBondContact O-N 3.33Å; E646-L649 PolarHBondContact O-N 3.47Å; E646-L649 VanDerWaalsContact O-N 3.14Å; E646-E650 PolarHBondContact O-N 3.17Å
647	A	88.5	Confident	89.6	Confident	43 Å²	43	62.4 Å²	62.4	36%	0.355	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-35.8	-179.4	0	0	0	0	0	112.5	D645 E650 S651	D645-A647 VanDerWaalsContact C-N 3.26Å; D645-A647 PolarHBondContact O-N 3.02Å; D645-A647 PolarHBondContact OD1-N 3.39Å; A647-E650 PolarHBondContact O-N 2.88Å; A647-S651 PolarHBondContact O-N 3.28Å; A647-S651 VanDerWaalsContact O-N 3.08Å
648	W	92.3	Very high	89.6	Confident	39 Å²	39	58.5 Å²	58.5	15%	0.148	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-46.5	171.2	170.1	78.8	0	0	0	111.5	L582 I622 V624 R644 D645 E646 E650 S651 L652	L582-W648 HydrophobicContact CD1-CH2 3.97Å; L582-W648 HydrophobicContact CD2-CH2 3.94Å; L582-W648 HydrophobicContact CD2-CZ2 4Å; I622-W648 HydrophobicContact CD1-CH2 3.64Å; I622-W648 HydrophobicContact CD1-CZ2 3.89Å; I622-W648 HydrophobicContact CG2-CH2 4.13Å; I622-W648 HydrophobicContact CG2-CZ3 4.16Å; V624-W648 HydrophobicContact CG2-CE3 4.1Å; V624-W648 HydrophobicContact CG2-CZ3 3.76Å; R644-W648 HydrophobicContact CB-CB 4Å; R644-W648 HydrophobicContact CB-CD2 3.57Å; R644-W648 HydrophobicContact CB-CE3 3.43Å; R644-W648 VanDerWaalsContact CB-CE3 3.43Å; R644-W648 HydrophobicContact CB-CG 3.83Å; R644-W648 HydrophobicContact CB-CZ3 4.14Å; R644-W648 HydrophobicContact CG-CD2 3.55Å; R644-W648 HydrophobicContact CG-CE3 3.76Å; R644-W648 HydrophobicContact CG-CG 3.91Å; R644-W648 HydrophobicContact CG-CH2 4.46Å; R644-W648 HydrophobicContact CG-CZ2 4.29Å; R644-W648 HydrophobicContact CG-CZ3 4.22Å; D645-W648 PolarHBondContact O-N 3.44Å; D645-W648 WeakPolarHBondContact OD1-CB 3.47Å; D645-W648 PolarHBondContact OD1-N 2.69Å; E646-W648 VanDerWaalsContact C-N 3.34Å; E646-W648 PolarHBondContact O-N 3.33Å; W648-E650 VanDerWaalsContact C-N 3.31Å; W648-E650 PolarHBondContact O-N 3.38Å; W648-S651 PolarHBondContact O-N 3.06Å; W648-S651 VanDerWaalsContact O-N 3.14Å; W648-S651 PolarHBondContact O-OG 3.43Å; W648-L652 HydrophobicContact CD2-CD1 4.39Å; W648-L652 HydrophobicContact CE3-CD1 4.41Å; W648-L652 HydrophobicContact CH2-CD1 3.78Å; W648-L652 HydrophobicContact CZ2-CD1 3.73Å; W648-L652 HydrophobicContact CZ3-CD1 4.13Å
649	L	88.9	Confident	89.7	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-35.6	178.7	179.8	57.5	0	0	0	112	L596 A601 K604 L605 L608 E646 S651 L652	L596-L649 HydrophobicContact CD1-CD2 4.23Å; L596-L649 HydrophobicContact CD1-CG 4.47Å; A601-L649 HydrophobicContact CB-CD2 3.83Å; K604-L649 HydrophobicContact CD-CD1 4.23Å; K604-L649 HydrophobicContact CD-CG 4.27Å; K604-L649 WeakPolarHBondContact CE-O 3.11Å; K604-L649 HydrophobicContact CG-CD1 4.13Å; K604-L649 PolarHBondContact NZ-O 2.81Å; L605-L649 HydrophobicContact CD1-CD2 4.32Å; L605-L649 HydrophobicContact CD2-CD1 3.52Å; L605-L649 HydrophobicContact CD2-CD2 4.38Å; L605-L649 HydrophobicContact CG-CD1 3.79Å; L605-L649 HydrophobicContact CG-CD2 3.97Å; L608-L649 HydrophobicContact CD1-CD1 4.29Å; E646-L649 PolarHBondContact O-N 3.47Å; E646-L649 VanDerWaalsContact O-N 3.14Å; L649-S651 VanDerWaalsContact C-N 3.29Å; L649-S651 PolarHBondContact O-N 2.83Å; L649-L652 HydrophobicContact CD1-CD1 4.31Å; L649-L652 PolarHBondContact O-N 3.1Å
650	E	85.9	Confident	89.8	Confident	73 Å²	73	55.3 Å²	55.3	34%	0.341	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-34.9	173.8	-71.9	-175.7	110.9	0	0	112.5	R595 L596 K604 E646 A647 W648 L652	R595-E650 WeakPolarHBondContact CD-OE2 3.36Å; R595-E650 IonicContact CZ-OE2 3.39Å; R595-E650 IonicContact NE-OE2 3.66Å; R595-E650 IonicContact NH1-OE2 3.01Å; R595-E650 PolarHBondContact NH1-OE2 2.83Å; L596-E650 HydrophobicContact CD1-CG 4.2Å; K604-E650 PolarHBondContact NZ-O 3.45Å; E646-E650 PolarHBondContact O-N 3.17Å; A647-E650 PolarHBondContact O-N 2.88Å; W648-E650 VanDerWaalsContact C-N 3.31Å; W648-E650 PolarHBondContact O-N 3.38Å; E650-L652 VanDerWaalsContact C-N 3.26Å; E650-L652 PolarHBondContact O-N 2.84Å
651	S	86.8	Confident	89.8	Confident	92 Å²	92	54.1 Å²	54.1	64%	0.643	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.7	-177.6	75	0	0	0	0	115.6	A647 W648 L649	A647-S651 PolarHBondContact O-N 3.28Å; A647-S651 VanDerWaalsContact O-N 3.08Å; W648-S651 PolarHBondContact O-N 3.06Å; W648-S651 VanDerWaalsContact O-N 3.14Å; W648-S651 PolarHBondContact O-OG 3.43Å; L649-S651 VanDerWaalsContact C-N 3.29Å; L649-S651 PolarHBondContact O-N 2.83Å
652	L	83.3	Confident	89.6	Confident	60 Å²	60	57.1 Å²	57.1	31%	0.314	31%	0.308	S	S	.	.			trans	-83.1	0	178	-57.4	176.7	0	0	0	112.9	L582 K604 L608 W648 L649 E650	L582-L652 HydrophobicContact CD1-CD1 3.78Å; L582-L652 HydrophobicContact CD2-CD1 4.16Å; L582-L652 HydrophobicContact CG-CD1 4.18Å; K604-L652 WeakPolarHBondContact CE-O 3.48Å; K604-L652 PolarHBondContact NZ-O 2.7Å; L608-L652 HydrophobicContact CD1-CB 3.53Å; L608-L652 HydrophobicContact CD1-CD1 3.7Å; L608-L652 HydrophobicContact CD1-CG 4.28Å; L608-L652 HydrophobicContact CD2-CB 4.41Å; W648-L652 HydrophobicContact CD2-CD1 4.39Å; W648-L652 HydrophobicContact CE3-CD1 4.41Å; W648-L652 HydrophobicContact CH2-CD1 3.78Å; W648-L652 HydrophobicContact CZ2-CD1 3.73Å; W648-L652 HydrophobicContact CZ3-CD1 4.13Å; L649-L652 HydrophobicContact CD1-CD1 4.31Å; L649-L652 PolarHBondContact O-N 3.1Å; E650-L652 VanDerWaalsContact C-N 3.26Å; E650-L652 PolarHBondContact O-N 2.84Å

Retrieved 652 of 652 residues in 1899.4 ms (Link to these results)

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