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DNA replication licensing factor MCM7

Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A096NAA1, Species PAPAN (Papio anubis, Olive baboon), Gene MCM7, Length 719 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.1	Very low	72.4	Confident	209 Å²	209	94.5 Å²	94.5	100%	1.03	51%	0.509	S	S	*	.				0	136.3	0	-83.2	160.7	168.7	0	0	108.2
2	A	45.3	Very low	73.5	Confident	90 Å²	90	94.3 Å²	94.3	74%	0.744	50%	0.499	S	S	*	.			trans	-58	144.1	-172.2	0	0	0	0	0	111.8	K4	A2-K4 VanDerWaalsContact C-N 3.31Å; A2-K4 PolarHBondContact O-N 3.25Å
3	L	56.6	Low	74.3	Confident	172 Å²	172	87.1 Å²	87.1	90%	0.901	46%	0.462	S	S	*	.			trans	-62.7	95	166.3	-82.3	144.9	0	0	0	107.4
4	K	67.4	Low	75.1	Confident	76 Å²	76	82.6 Å²	82.6	33%	0.33	44%	0.436	S	S	.	.			trans	-63.5	141.9	173.7	-65.2	-167.7	-179.7	-167.1	0	109.3	A2 Y6 E9 E61 S65	A2-K4 VanDerWaalsContact C-N 3.31Å; A2-K4 PolarHBondContact O-N 3.25Å; K4-Y6 WeakPolarHBondContact O-CD2 3.49Å; K4-Y6 WeakPolarHBondContact O-CE2 3.42Å; K4-Y6 PolarHBondContact O-N 3.14Å; K4-E9 WeakPolarHBondContact CB-OE1 3.37Å; K4-E9 WeakPolarHBondContact CD-OE1 3.38Å; K4-E61 IonicContact NZ-OE1 3.39Å; K4-E61 PolarHBondContact NZ-OE1 3.45Å; K4-S65 PolarHBondContact NZ-OG 2.81Å
5	D	82.4	Confident	75.8	Confident	100 Å²	100	85.1 Å²	85.1	54%	0.535	44%	0.442	S	S	.	.			trans	-81.6	101.9	178.1	-166.1	-15.1	0	0	0	109.8	A7 L8 E9	D5-A7 PolarHBondContact O-N 3.48Å; D5-A7 VanDerWaalsContact O-N 3.15Å; D5-A7 WeakPolarHBondContact OD1-CB 3.48Å; D5-A7 PolarHBondContact OD1-N 3.01Å; D5-A7 VanDerWaalsContact OD1-N 3.16Å; D5-L8 HydrophobicContact CB-CD1 4.14Å; D5-L8 HydrophobicContact CB-CG 4.32Å; D5-L8 PolarHBondContact O-N 3.16Å; D5-L8 VanDerWaalsContact O-N 3.14Å; D5-E9 PolarHBondContact O-N 3.2Å
6	Y	80.4	Confident	76.4	Confident	58 Å²	58	80.6 Å²	80.6	23%	0.227	42%	0.418	C	S	.	.	H	α-helix	trans	-63.5	-18	-177.7	-63.4	-78.6	0	0	0	113.6	K4 E9 K10 R72 L76	K4-Y6 WeakPolarHBondContact O-CD2 3.49Å; K4-Y6 WeakPolarHBondContact O-CE2 3.42Å; K4-Y6 PolarHBondContact O-N 3.14Å; Y6-E9 WeakPolarHBondContact CD1-OE2 3.3Å; Y6-K10 WeakPolarHBondContact O-CB 3.11Å; Y6-K10 PolarHBondContact O-N 2.86Å; Y6-R72 VanDerWaalsContact CD2-NH2 3.32Å; Y6-R72 HydrophobicContact CE1-CG 4.36Å; Y6-R72 PolarHBondContact OH-NH1 3.15Å; Y6-L76 HydrophobicContact CD1-CD1 3.78Å
7	A	82.3	Confident	76.8	Confident	61 Å²	61	75.9 Å²	75.9	50%	0.504	39%	0.394	S	S	.	.	H	α-helix	trans	-69.8	-42.4	174.5	0	0	0	0	0	111.2	D5 E9 K10 E11	D5-A7 PolarHBondContact O-N 3.48Å; D5-A7 VanDerWaalsContact O-N 3.15Å; D5-A7 WeakPolarHBondContact OD1-CB 3.48Å; D5-A7 PolarHBondContact OD1-N 3.01Å; D5-A7 VanDerWaalsContact OD1-N 3.16Å; A7-E9 VanDerWaalsContact C-N 3.35Å; A7-K10 WeakPolarHBondContact O-CB 3.33Å; A7-K10 PolarHBondContact O-N 3.18Å; A7-E11 PolarHBondContact O-N 3.25Å
8	L	83.5	Confident	77.1	Confident	114 Å²	114	75.6 Å²	75.6	60%	0.597	39%	0.39	S	S	*	.	H	α-helix	trans	-66.5	-39.5	175.9	-65.4	176.3	0	0	0	111.3	D5 K10 E11 K12	D5-L8 HydrophobicContact CB-CD1 4.14Å; D5-L8 HydrophobicContact CB-CG 4.32Å; D5-L8 PolarHBondContact O-N 3.16Å; D5-L8 VanDerWaalsContact O-N 3.14Å; L8-K10 VanDerWaalsContact C-N 3.33Å; L8-K10 PolarHBondContact O-N 3Å; L8-E11 PolarHBondContact O-N 2.89Å; L8-K12 WeakPolarHBondContact O-CG 3.45Å; L8-K12 PolarHBondContact O-N 3.32Å
9	E	82.6	Confident	77.4	Confident	15 Å²	15	78.1 Å²	78.1	7%	0.07	40%	0.4	C	S	.	.	H	α-helix	trans	-64.9	-36.8	175.9	-65.1	-175.7	163.7	0	0	112.3	K4 D5 Y6 A7 E11 K12 V13 Y73	K4-E9 WeakPolarHBondContact CB-OE1 3.37Å; K4-E9 WeakPolarHBondContact CD-OE1 3.38Å; D5-E9 PolarHBondContact O-N 3.2Å; Y6-E9 WeakPolarHBondContact CD1-OE2 3.3Å; A7-E9 VanDerWaalsContact C-N 3.35Å; E9-E11 VanDerWaalsContact C-N 3.3Å; E9-E11 PolarHBondContact O-N 3.34Å; E9-K12 WeakPolarHBondContact O-CB 3.36Å; E9-K12 PolarHBondContact O-N 3.37Å; E9-V13 VanDerWaalsContact O-CG2 3.32Å; E9-V13 WeakPolarHBondContact O-CG2 3.47Å; E9-V13 PolarHBondContact O-N 2.98Å; E9-Y73 PolarHBondContact OE1-OH 3.06Å; E9-Y73 WeakPolarHBondContact OE2-CE1 3.36Å; E9-Y73 PolarHBondContact OE2-OH 2.77Å
10	K	84.4	Confident	77.5	Confident	51 Å²	51	74.7 Å²	74.7	22%	0.222	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-43.2	173.7	-163.9	-168	-172.6	-162.7	0	111.5	Y6 A7 L8 V13 K14 S80 E83	Y6-K10 WeakPolarHBondContact O-CB 3.11Å; Y6-K10 PolarHBondContact O-N 2.86Å; A7-K10 WeakPolarHBondContact O-CB 3.33Å; A7-K10 PolarHBondContact O-N 3.18Å; L8-K10 VanDerWaalsContact C-N 3.33Å; L8-K10 PolarHBondContact O-N 3Å; K10-V13 PolarHBondContact O-N 3.06Å; K10-K14 WeakPolarHBondContact O-CG 3.05Å; K10-K14 PolarHBondContact O-N 3.45Å; K10-S80 VanDerWaalsContact CG-OG 3.31Å; K10-S80 WeakPolarHBondContact CG-OG 3.12Å; K10-E83 IonicContact NZ-OE2 2.79Å; K10-E83 PolarHBondContact NZ-OE2 3.39Å
11	E	85.8	Confident	77.5	Confident	93 Å²	93	76.3 Å²	76.3	44%	0.435	38%	0.384	S	S	.	.	H	α-helix	trans	-68.6	-36.2	177.8	-67.1	-58	136.3	0	0	112.2	A7 L8 E9 K14 K15	A7-E11 PolarHBondContact O-N 3.25Å; L8-E11 PolarHBondContact O-N 2.89Å; E9-E11 VanDerWaalsContact C-N 3.3Å; E9-E11 PolarHBondContact O-N 3.34Å; E11-K14 PolarHBondContact O-N 3.2Å; E11-K14 IonicContact OE1-NZ 3Å; E11-K14 PolarHBondContact OE1-NZ 3.34Å; E11-K15 WeakPolarHBondContact O-CG 3.45Å; E11-K15 PolarHBondContact O-N 3.36Å
12	K	84.9	Confident	78.9	Confident	92 Å²	92	71.1 Å²	71.1	40%	0.4	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-46.5	171	-69.9	-175.2	177.1	-164	0	111.9	L8 E9 K14 K15 F16	L8-K12 WeakPolarHBondContact O-CG 3.45Å; L8-K12 PolarHBondContact O-N 3.32Å; E9-K12 WeakPolarHBondContact O-CB 3.36Å; E9-K12 PolarHBondContact O-N 3.37Å; K12-K14 VanDerWaalsContact C-N 3.31Å; K12-K14 PolarHBondContact O-N 3.07Å; K12-K15 PolarHBondContact O-N 2.86Å; K12-F16 PolarHBondContact O-N 2.95Å
13	V	84.6	Confident	80.3	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.006	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-40	177.4	170.5	0	0	0	0	111.7	E9 K10 F16 L17 L62 F77	E9-V13 VanDerWaalsContact O-CG2 3.32Å; E9-V13 WeakPolarHBondContact O-CG2 3.47Å; E9-V13 PolarHBondContact O-N 2.98Å; K10-V13 PolarHBondContact O-N 3.06Å; V13-F16 PolarHBondContact O-N 2.9Å; V13-L17 HydrophobicContact CG1-CD1 4.09Å; V13-L17 WeakPolarHBondContact O-CG 3.45Å; V13-L17 PolarHBondContact O-N 3.15Å; V13-L62 HydrophobicContact CG2-CD2 4.22Å; V13-F77 HydrophobicContact CB-CE2 4.39Å; V13-F77 HydrophobicContact CB-CZ 4.33Å; V13-F77 HydrophobicContact CG1-CD1 3.52Å; V13-F77 HydrophobicContact CG1-CD2 3.93Å; V13-F77 HydrophobicContact CG1-CE1 3.55Å; V13-F77 HydrophobicContact CG1-CE2 3.97Å; V13-F77 HydrophobicContact CG1-CG 3.73Å; V13-F77 HydrophobicContact CG1-CZ 3.78Å; V13-F77 HydrophobicContact CG2-CD2 3.98Å; V13-F77 HydrophobicContact CG2-CE1 4.3Å; V13-F77 HydrophobicContact CG2-CE2 3.46Å; V13-F77 VanDerWaalsContact CG2-CE2 3.46Å; V13-F77 HydrophobicContact CG2-CZ 3.65Å
14	K	85.5	Confident	80.7	Confident	24 Å²	24	67.1 Å²	67.1	10%	0.104	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-44.8	175.2	-74.9	176.8	-178.6	175.6	0	112	K10 E11 K12 L17 Q18 E83	K10-K14 WeakPolarHBondContact O-CG 3.05Å; K10-K14 PolarHBondContact O-N 3.45Å; E11-K14 PolarHBondContact O-N 3.2Å; E11-K14 IonicContact OE1-NZ 3Å; E11-K14 PolarHBondContact OE1-NZ 3.34Å; K12-K14 VanDerWaalsContact C-N 3.31Å; K12-K14 PolarHBondContact O-N 3.07Å; K14-L17 PolarHBondContact O-N 3.4Å; K14-Q18 WeakPolarHBondContact O-CG 3.47Å; K14-Q18 PolarHBondContact O-N 3.26Å; K14-E83 WeakPolarHBondContact CE-OE2 3.46Å; K14-E83 IonicContact NZ-OE1 3.87Å; K14-E83 PolarHBondContact NZ-OE1 3.19Å; K14-E83 IonicContact NZ-OE2 2.86Å; K14-E83 PolarHBondContact NZ-OE2 3Å
15	K	85.8	Confident	80.4	Confident	121 Å²	121	73.2 Å²	73.2	53%	0.526	35%	0.354	S	S	.	.	H	α-helix	trans	-60.6	-48.1	177.4	-71	179	-179.8	-171.9	0	111.2	E11 K12 L17 Q18 E19	E11-K15 WeakPolarHBondContact O-CG 3.45Å; E11-K15 PolarHBondContact O-N 3.36Å; K12-K15 PolarHBondContact O-N 2.86Å; K15-L17 VanDerWaalsContact C-N 3.34Å; K15-L17 PolarHBondContact O-N 2.87Å; K15-Q18 PolarHBondContact O-N 2.94Å; K15-E19 WeakPolarHBondContact O-CB 3.32Å; K15-E19 WeakPolarHBondContact O-CG 3.28Å; K15-E19 PolarHBondContact O-N 3.24Å
16	F	85.3	Confident	79.3	Confident	12 Å²	12	75.7 Å²	75.7	5%	0.053	37%	0.366	C	S	.	.	H	α-helix	trans	-52.3	-50.4	175.5	174.3	-100	0	0	0	112.2	K12 V13 Q18 F20 Y33 V50 D54 V55 D58	K12-F16 PolarHBondContact O-N 2.95Å; V13-F16 PolarHBondContact O-N 2.9Å; F16-Q18 PolarHBondContact O-N 3.12Å; F16-F20 HydrophobicContact CE2-CB 4.25Å; F16-F20 AromaticContact CE2-CD2 3.79Å; F16-F20 HydrophobicContact CE2-CD2 3.79Å; F16-F20 HydrophobicContact CE2-CE2 4.44Å; F16-F20 HydrophobicContact CE2-CG 4.13Å; F16-F20 HydrophobicContact CZ-CD2 4.34Å; F16-F20 HydrophobicContact CZ-CG 4.37Å; F16-F20 VanDerWaalsContact O-CB 3.3Å; F16-F20 WeakPolarHBondContact O-CB 3.49Å; F16-F20 PolarHBondContact O-N 3.42Å; F16-Y33 HydrophobicContact CE1-CD2 4.13Å; F16-Y33 AromaticContact CE1-CE2 3.78Å; F16-Y33 HydrophobicContact CE1-CE2 3.78Å; F16-Y33 HydrophobicContact CZ-CD2 4.25Å; F16-Y33 AromaticContact CZ-CE2 3.62Å; F16-Y33 HydrophobicContact CZ-CE2 3.62Å; F16-V50 HydrophobicContact CE1-CG1 4.4Å; F16-D54 HydrophobicContact CZ-CB 4.05Å; F16-V55 HydrophobicContact CD1-CG2 4.31Å; F16-V55 HydrophobicContact CE1-CG2 3.6Å; F16-V55 HydrophobicContact CE2-CB 4.31Å; F16-V55 HydrophobicContact CE2-CG2 3.98Å; F16-V55 HydrophobicContact CZ-CB 4.19Å; F16-V55 HydrophobicContact CZ-CG2 3.41Å; F16-V55 VanDerWaalsContact CZ-CG2 3.41Å; F16-D58 HydrophobicContact CD2-CB 4.07Å; F16-D58 WeakPolarHBondContact CD2-OD2 3.37Å; F16-D58 HydrophobicContact CE2-CB 4.35Å; F16-D58 WeakPolarHBondContact CE2-OD2 3.29Å
17	L	82.8	Confident	78.5	Confident	2 Å²	2	76 Å²	76	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-23.1	-179	-70.2	171.9	0	0	0	114.1	V13 K14 K15 Y33 V81 L84	V13-L17 HydrophobicContact CG1-CD1 4.09Å; V13-L17 WeakPolarHBondContact O-CG 3.45Å; V13-L17 PolarHBondContact O-N 3.15Å; K14-L17 PolarHBondContact O-N 3.4Å; K15-L17 VanDerWaalsContact C-N 3.34Å; K15-L17 PolarHBondContact O-N 2.87Å; L17-Y33 HydrophobicContact CD2-CG 4.39Å; L17-V81 HydrophobicContact CD1-CG2 3.78Å; L17-L84 HydrophobicContact CB-CD1 4.05Å; L17-L84 HydrophobicContact CD1-CD1 4.09Å
18	Q	82.1	Confident	78.1	Confident	70 Å²	70	80.2 Å²	80.2	33%	0.327	39%	0.394	S	S	.	.	H	α-helix	trans	-95.4	-38	-179	-68.3	-176.3	-19.6	0	0	113	K14 K15 F16 L84	K14-Q18 WeakPolarHBondContact O-CG 3.47Å; K14-Q18 PolarHBondContact O-N 3.26Å; K15-Q18 PolarHBondContact O-N 2.94Å; F16-Q18 PolarHBondContact O-N 3.12Å; Q18-L84 HydrophobicContact CG-CD1 4.42Å; Q18-L84 HydrophobicContact CG-CD2 4.42Å
19	E	82.4	Confident	77.8	Confident	122 Å²	122	80.8 Å²	80.8	57%	0.57	39%	0.392	S	S	*	.	H	α-helix	trans	-95.2	-20.8	-167.5	-65.6	176.5	176.3	0	0	113	K15 Y21	K15-E19 WeakPolarHBondContact O-CB 3.32Å; K15-E19 WeakPolarHBondContact O-CG 3.28Å; K15-E19 PolarHBondContact O-N 3.24Å; E19-Y21 PolarHBondContact O-N 3.26Å
20	F	79.4	Confident	77.4	Confident	10 Å²	10	84 Å²	84	4%	0.044	41%	0.406	C	S	.	.			trans	-65.8	123.1	-175.7	-172.9	-96.8	0	0	0	112.7	F16 F31 K32 Y33 D54 D58	F16-F20 HydrophobicContact CE2-CB 4.25Å; F16-F20 AromaticContact CE2-CD2 3.79Å; F16-F20 HydrophobicContact CE2-CD2 3.79Å; F16-F20 HydrophobicContact CE2-CE2 4.44Å; F16-F20 HydrophobicContact CE2-CG 4.13Å; F16-F20 HydrophobicContact CZ-CD2 4.34Å; F16-F20 HydrophobicContact CZ-CG 4.37Å; F16-F20 VanDerWaalsContact O-CB 3.3Å; F16-F20 WeakPolarHBondContact O-CB 3.49Å; F16-F20 PolarHBondContact O-N 3.42Å; F20-F31 WeakPolarHBondContact O-CD1 3.49Å; F20-K32 HydrophobicContact CE1-CD 4.47Å; F20-Y33 HydrophobicContact CB-CD2 4.05Å; F20-Y33 HydrophobicContact CB-CE2 4.49Å; F20-Y33 AromaticContact CD1-CD2 3.61Å; F20-Y33 HydrophobicContact CD1-CD2 3.61Å; F20-Y33 AromaticContact CD1-CE2 3.54Å; F20-Y33 HydrophobicContact CD1-CE2 3.54Å; F20-Y33 HydrophobicContact CE1-CD2 4.43Å; F20-Y33 AromaticContact CE1-CE2 3.97Å; F20-Y33 HydrophobicContact CE1-CE2 3.97Å; F20-Y33 HydrophobicContact CG-CD2 4.07Å; F20-Y33 HydrophobicContact CG-CE2 4.08Å; F20-D54 HydrophobicContact CD2-CB 4.45Å; F20-D54 HydrophobicContact CE1-CB 3.82Å; F20-D54 HydrophobicContact CE2-CB 3.72Å; F20-D54 HydrophobicContact CZ-CB 3.36Å; F20-D54 VanDerWaalsContact CZ-CG 3.41Å; F20-D58 WeakPolarHBondContact CD2-OD2 3.42Å
21	Y	78.3	Confident	77.2	Confident	110 Å²	110	86.2 Å²	86.2	43%	0.431	42%	0.417	S	S	.	.			trans	-125.5	143.4	176.4	65	-90.4	0	0	0	110.6	E19 K29 Q30	E19-Y21 PolarHBondContact O-N 3.26Å; Y21-K29 HydrophobicContact CD2-CB 4.35Å; Y21-K29 HydrophobicContact CD2-CD 3.93Å; Y21-K29 HydrophobicContact CD2-CG 4.02Å; Y21-K29 HydrophobicContact CE2-CD 4.1Å; Y21-K29 HydrophobicContact CE2-CG 4.45Å; Y21-K29 HydrophobicContact CG-CD 4.31Å; Y21-Q30 WeakPolarHBondContact CA-O 3.18Å
22	Q	75.7	Confident	77.1	Confident	99 Å²	99	83.9 Å²	83.9	46%	0.463	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.6	170.5	-164.7	166.9	18.3	0	0	108.6	Q30	Q22-Q30 PolarHBondContact N-O 3.28Å; Q22-Q30 PolarHBondContact O-N 3.33Å
23	D	73.4	Confident	77	Confident	103 Å²	103	79.5 Å²	79.5	55%	0.551	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	117.9	174.5	-69.7	-30	0	0	0	108.8
24	D	64.6	Low	76.8	Confident	76 Å²	76	80 Å²	80	41%	0.406	39%	0.392	S	S	.	.			trans	-72.1	160.6	175.7	-139.4	10.7	0	0	0	110.6	L26 G27 K28 Q30	D24-L26 PolarHBondContact O-N 3.02Å; D24-G27 PolarHBondContact O-N 3.28Å; D24-K28 PolarHBondContact N-O 3.27Å; D24-Q30 PolarHBondContact OD2-NE2 2.78Å
25	E	62.4	Low	76.8	Confident	204 Å²	204	82.6 Å²	82.6	95%	0.953	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-15.7	176.3	-65.2	-179.4	170.7	0	0	113.5
26	L	59.7	Low	76.7	Confident	152 Å²	152	78.2 Å²	78.2	80%	0.796	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	8.9	177.1	-71.2	160.7	0	0	0	114.2	D24 K28	D24-L26 PolarHBondContact O-N 3.02Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.3Å
27	G	63.1	Low	76.7	Confident	64 Å²	64	77.6 Å²	77.6	66%	0.66	39%	0.385	S	S	*	.	S	Bend	trans	71.9	16	173.4	0	0	0	0	0	115.8	D24	D24-G27 PolarHBondContact O-N 3.28Å
28	K	74.4	Confident	76.8	Confident	149 Å²	149	78.7 Å²	78.7	65%	0.648	39%	0.392	S	S	*	.			trans	-93.6	128.7	171.9	-69.6	-178.4	-177.2	174.9	0	109.6	D24 L26 Q30	D24-K28 PolarHBondContact N-O 3.27Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.3Å; K28-Q30 PolarHBondContact O-N 3.38Å
29	K	76.8	Confident	76.9	Confident	126 Å²	126	81.8 Å²	81.8	55%	0.548	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	112.7	171.6	-64.4	-169.6	173.5	-159.9	0	109.7	Y21	Y21-K29 HydrophobicContact CD2-CB 4.35Å; Y21-K29 HydrophobicContact CD2-CD 3.93Å; Y21-K29 HydrophobicContact CD2-CG 4.02Å; Y21-K29 HydrophobicContact CE2-CD 4.1Å; Y21-K29 HydrophobicContact CE2-CG 4.45Å; Y21-K29 HydrophobicContact CG-CD 4.31Å
30	Q	73.9	Confident	77	Confident	82 Å²	82	76.6 Å²	76.6	38%	0.383	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.6	173.9	-63.2	-165.6	20.3	0	0	110.2	Y21 Q22 D24 K28 K32	Y21-Q30 WeakPolarHBondContact CA-O 3.18Å; Q22-Q30 PolarHBondContact N-O 3.28Å; Q22-Q30 PolarHBondContact O-N 3.33Å; D24-Q30 PolarHBondContact OD2-NE2 2.78Å; K28-Q30 PolarHBondContact O-N 3.38Å; Q30-K32 PolarHBondContact O-N 2.67Å; Q30-K32 VanDerWaalsContact O-N 3.1Å
31	F	80.6	Confident	77.1	Confident	99 Å²	99	76.8 Å²	76.8	43%	0.434	38%	0.38	S	S	.	.			trans	-77.5	93.6	172	-63.2	-82	0	0	0	109.3	F20 Y33 G34 N35	F20-F31 WeakPolarHBondContact O-CD1 3.49Å; F31-Y33 PolarHBondContact O-N 2.95Å; F31-G34 PolarHBondContact O-N 3.26Å; F31-N35 PolarHBondContact O-N 2.87Å
32	K	82.8	Confident	77.2	Confident	43 Å²	43	72.9 Å²	72.9	19%	0.187	37%	0.366	C	S	.	.	H	α-helix	trans	-53.3	-53.5	-178.6	-179.5	-178.3	175.1	-172.8	0	111.7	F20 Q30 Q36 D51 D54	F20-K32 HydrophobicContact CE1-CD 4.47Å; Q30-K32 PolarHBondContact O-N 2.67Å; Q30-K32 VanDerWaalsContact O-N 3.1Å; K32-Q36 WeakPolarHBondContact O-CG 3.46Å; K32-Q36 PolarHBondContact O-N 3.3Å; K32-D51 IonicContact NZ-OD2 3.21Å; K32-D51 PolarHBondContact NZ-OD2 2.86Å; K32-D54 IonicContact NZ-OD1 2.71Å; K32-D54 IonicContact NZ-OD2 3.6Å; K32-D54 PolarHBondContact NZ-OD2 3.36Å
33	Y	82.8	Confident	77.2	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-72.2	-34.2	179.7	-63.8	-66.4	0	0	0	112.8	F16 L17 F20 F31 N35 Q36 L37 V50 D51 D54	F16-Y33 HydrophobicContact CE1-CD2 4.13Å; F16-Y33 AromaticContact CE1-CE2 3.78Å; F16-Y33 HydrophobicContact CE1-CE2 3.78Å; F16-Y33 HydrophobicContact CZ-CD2 4.25Å; F16-Y33 AromaticContact CZ-CE2 3.62Å; F16-Y33 HydrophobicContact CZ-CE2 3.62Å; L17-Y33 HydrophobicContact CD2-CG 4.39Å; F20-Y33 HydrophobicContact CB-CD2 4.05Å; F20-Y33 HydrophobicContact CB-CE2 4.49Å; F20-Y33 AromaticContact CD1-CD2 3.61Å; F20-Y33 HydrophobicContact CD1-CD2 3.61Å; F20-Y33 AromaticContact CD1-CE2 3.54Å; F20-Y33 HydrophobicContact CD1-CE2 3.54Å; F20-Y33 HydrophobicContact CE1-CD2 4.43Å; F20-Y33 AromaticContact CE1-CE2 3.97Å; F20-Y33 HydrophobicContact CE1-CE2 3.97Å; F20-Y33 HydrophobicContact CG-CD2 4.07Å; F20-Y33 HydrophobicContact CG-CE2 4.08Å; F31-Y33 PolarHBondContact O-N 2.95Å; Y33-N35 PolarHBondContact O-N 2.84Å; Y33-Q36 PolarHBondContact O-N 3.24Å; Y33-L37 WeakPolarHBondContact O-CB 3.46Å; Y33-L37 VanDerWaalsContact O-CG 3.23Å; Y33-L37 WeakPolarHBondContact O-CG 3.34Å; Y33-L37 PolarHBondContact O-N 3.1Å; Y33-V50 HydrophobicContact CE1-CG1 4.47Å; Y33-D51 PolarHBondContact OH-N 3.19Å; Y33-D54 HydrophobicContact CE2-CB 4.13Å; Y33-D54 PolarHBondContact OH-OD2 3.02Å
34	G	81.8	Confident	77.6	Confident	13 Å²	13	73.1 Å²	73.1	13%	0.134	36%	0.361	C	S	.	.	H	α-helix	trans	-58	-48.1	173.1	0	0	0	0	0	112.2	F31 Q36 L37 V38	F31-G34 PolarHBondContact O-N 3.26Å; G34-Q36 VanDerWaalsContact C-N 3.34Å; G34-Q36 PolarHBondContact O-N 2.96Å; G34-L37 PolarHBondContact O-N 2.89Å; G34-V38 WeakPolarHBondContact O-CG2 3.45Å; G34-V38 PolarHBondContact O-N 2.93Å
35	N	83.8	Confident	78.5	Confident	77 Å²	77	71.9 Å²	71.9	41%	0.412	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-39.7	176.3	-73.2	-20.4	0	0	0	112.3	F31 Y33 V38 R39	F31-N35 PolarHBondContact O-N 2.87Å; Y33-N35 PolarHBondContact O-N 2.84Å; N35-V38 PolarHBondContact O-N 3.33Å; N35-R39 WeakPolarHBondContact O-CG 3.12Å; N35-R39 PolarHBondContact O-N 2.88Å
36	Q	84.1	Confident	79.5	Confident	29 Å²	29	65.5 Å²	65.5	14%	0.136	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-41.5	175	-70.8	177.7	2	0	0	111.9	K32 Y33 G34 V38 R39 L40 L48	K32-Q36 WeakPolarHBondContact O-CG 3.46Å; K32-Q36 PolarHBondContact O-N 3.3Å; Y33-Q36 PolarHBondContact O-N 3.24Å; G34-Q36 VanDerWaalsContact C-N 3.34Å; G34-Q36 PolarHBondContact O-N 2.96Å; Q36-V38 VanDerWaalsContact C-N 3.32Å; Q36-V38 PolarHBondContact O-N 3.33Å; Q36-R39 PolarHBondContact O-N 3.19Å; Q36-L40 WeakPolarHBondContact O-CB 3.47Å; Q36-L40 WeakPolarHBondContact O-CG 3.39Å; Q36-L40 PolarHBondContact O-N 2.89Å; Q36-L48 HydrophobicContact CB-CD1 4.13Å
37	L	84.9	Confident	80.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-38.6	176.2	-72.1	173.3	0	0	0	111.7	Y33 G34 L40 A41 L48 V81 Y88	Y33-L37 WeakPolarHBondContact O-CB 3.46Å; Y33-L37 VanDerWaalsContact O-CG 3.23Å; Y33-L37 WeakPolarHBondContact O-CG 3.34Å; Y33-L37 PolarHBondContact O-N 3.1Å; G34-L37 PolarHBondContact O-N 2.89Å; L37-L40 HydrophobicContact CD2-CD1 4.24Å; L37-L40 PolarHBondContact O-N 3.28Å; L37-A41 VanDerWaalsContact O-CB 3.29Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 3.41Å; L37-L48 HydrophobicContact CD2-CD1 4.46Å; L37-V81 HydrophobicContact CD2-CG1 3.72Å; L37-V81 HydrophobicContact CD2-CG2 4.32Å; L37-Y88 HydrophobicContact CB-CD2 4.5Å; L37-Y88 HydrophobicContact CD1-CD2 4.41Å; L37-Y88 HydrophobicContact CD1-CE2 4.18Å
38	V	85.3	Confident	82	Confident	25 Å²	25	55.3 Å²	55.3	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-44.7	173	173.6	0	0	0	0	110.8	G34 N35 Q36 L40 A41 H42 Y88	G34-V38 WeakPolarHBondContact O-CG2 3.45Å; G34-V38 PolarHBondContact O-N 2.93Å; N35-V38 PolarHBondContact O-N 3.33Å; Q36-V38 VanDerWaalsContact C-N 3.32Å; Q36-V38 PolarHBondContact O-N 3.33Å; V38-L40 PolarHBondContact O-N 3.44Å; V38-A41 PolarHBondContact O-N 3.11Å; V38-H42 VanDerWaalsContact CG1-CE1 3.42Å; V38-H42 WeakPolarHBondContact CG1-CE1 3.36Å; V38-H42 WeakPolarHBondContact O-CB 3.31Å; V38-H42 VanDerWaalsContact O-CG 3.32Å; V38-H42 PolarHBondContact O-N 3.12Å; V38-H42 PolarHBondContact O-ND1 3.44Å; V38-Y88 HydrophobicContact CG2-CD1 4.29Å
39	R	84.3	Confident	82.6	Confident	135 Å²	135	51.1 Å²	51.1	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-38.5	175.7	-71.4	175.3	-176.2	171.4	2.8	112.9	N35 Q36 H42 R43 E44 Q45	N35-R39 WeakPolarHBondContact O-CG 3.12Å; N35-R39 PolarHBondContact O-N 2.88Å; Q36-R39 PolarHBondContact O-N 3.19Å; R39-H42 PolarHBondContact O-N 3.3Å; R39-R43 PolarHBondContact O-N 3.23Å; R39-R43 VanDerWaalsContact O-N 3.14Å; R39-E44 PolarHBondContact O-N 3.02Å; R39-Q45 HydrophobicContact CB-CB 4.21Å
40	L	84.5	Confident	83.1	Confident	13 Å²	13	45.1 Å²	45.1	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-45	172.5	-74.3	177.7	0	0	0	111.2	Q36 L37 V38 H42 R43 Q45 L48 V81 L85 F134	Q36-L40 WeakPolarHBondContact O-CB 3.47Å; Q36-L40 WeakPolarHBondContact O-CG 3.39Å; Q36-L40 PolarHBondContact O-N 2.89Å; L37-L40 HydrophobicContact CD2-CD1 4.24Å; L37-L40 PolarHBondContact O-N 3.28Å; V38-L40 PolarHBondContact O-N 3.44Å; L40-H42 VanDerWaalsContact C-N 3.3Å; L40-H42 PolarHBondContact O-N 3.06Å; L40-R43 PolarHBondContact O-N 3.38Å; L40-Q45 HydrophobicContact CD2-CB 4.14Å; L40-Q45 HydrophobicContact CD2-CG 4.23Å; L40-Q45 WeakPolarHBondContact CD2-O 3.34Å; L40-L48 HydrophobicContact CD1-CB 4.02Å; L40-L48 HydrophobicContact CD1-CD1 3.38Å; L40-L48 HydrophobicContact CD1-CG 4.31Å; L40-L48 HydrophobicContact CG-CD1 4.38Å; L40-V81 HydrophobicContact CD1-CG1 4.37Å; L40-L85 HydrophobicContact CB-CD2 4.01Å; L40-F134 HydrophobicContact CD2-CB 3.8Å
41	A	81.2	Confident	83.7	Confident	13 Å²	13	42.4 Å²	42.4	11%	0.107	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-37.3	178.2	0	0	0	0	0	111.8	L37 V38 R43 L85	L37-A41 VanDerWaalsContact O-CB 3.29Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 3.41Å; V38-A41 PolarHBondContact O-N 3.11Å; A41-R43 VanDerWaalsContact C-N 3.25Å; A41-R43 PolarHBondContact O-N 3.29Å; A41-L85 HydrophobicContact CB-CD2 4.16Å
42	H	81.7	Confident	83.9	Confident	28 Å²	28	37.7 Å²	37.7	13%	0.13	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.8	173.3	-65.9	158.6	0	0	0	114.4	V38 R39 L40 E44 R91 V93	V38-H42 VanDerWaalsContact CG1-CE1 3.42Å; V38-H42 WeakPolarHBondContact CG1-CE1 3.36Å; V38-H42 WeakPolarHBondContact O-CB 3.31Å; V38-H42 VanDerWaalsContact O-CG 3.32Å; V38-H42 PolarHBondContact O-N 3.12Å; V38-H42 PolarHBondContact O-ND1 3.44Å; R39-H42 PolarHBondContact O-N 3.3Å; L40-H42 VanDerWaalsContact C-N 3.3Å; L40-H42 PolarHBondContact O-N 3.06Å; H42-E44 VanDerWaalsContact C-N 3.29Å; H42-E44 HydrophobicContact CB-CG 4.31Å; H42-E44 PolarHBondContact O-N 2.77Å; H42-R91 PolarHBondContact NE2-N 3.49Å; H42-V93 WeakPolarHBondContact O-CG1 3.42Å
43	R	75.7	Confident	84	Confident	70 Å²	70	37.7 Å²	37.7	26%	0.264	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	39.3	-179.3	-52.5	178.3	-178.8	163.1	-0.7	113	R39 L40 A41 V93 N95 K96 D100	R39-R43 PolarHBondContact O-N 3.23Å; R39-R43 VanDerWaalsContact O-N 3.14Å; L40-R43 PolarHBondContact O-N 3.38Å; A41-R43 VanDerWaalsContact C-N 3.25Å; A41-R43 PolarHBondContact O-N 3.29Å; R43-V93 HydrophobicContact CB-CG1 4.18Å; R43-V93 HydrophobicContact CG-CG1 3.93Å; R43-N95 PolarHBondContact NH1-OD1 3.11Å; R43-K96 PolarHBondContact O-NZ 3.14Å; R43-D100 VanDerWaalsContact CZ-CG 3.42Å; R43-D100 IonicContact CZ-OD1 2.86Å; R43-D100 IonicContact CZ-OD2 3.55Å; R43-D100 IonicContact NE-OD1 3.3Å; R43-D100 IonicContact NH1-OD1 3.99Å; R43-D100 PolarHBondContact NH1-OD1 3.14Å; R43-D100 IonicContact NH1-OD2 2.58Å; R43-D100 PolarHBondContact NH1-OD2 3.16Å; R43-D100 IonicContact NH2-OD1 3.71Å; R43-D100 PolarHBondContact NH2-OD1 3.5Å
44	E	82.2	Confident	84	Confident	138 Å²	138	38.4 Å²	38.4	65%	0.645	19%	0.186	S	C	*	.	S	Bend	trans	-93.5	-28.7	170.8	-66.2	179.9	170.6	0	0	111.4	R39 H42	R39-E44 PolarHBondContact O-N 3.02Å; H42-E44 VanDerWaalsContact C-N 3.29Å; H42-E44 HydrophobicContact CB-CG 4.31Å; H42-E44 PolarHBondContact O-N 2.77Å
45	Q	82.6	Confident	84.1	Confident	49 Å²	49	37.8 Å²	37.8	23%	0.229	18%	0.18	C	C	.	.			trans	-119.6	146.7	-179.7	-172.4	169.5	-2.8	0	0	110.2	R39 L40 A47	R39-Q45 HydrophobicContact CB-CB 4.21Å; L40-Q45 HydrophobicContact CD2-CB 4.14Å; L40-Q45 HydrophobicContact CD2-CG 4.23Å; L40-Q45 WeakPolarHBondContact CD2-O 3.34Å; Q45-A47 VanDerWaalsContact CG-O 3.27Å; Q45-A47 WeakPolarHBondContact CG-O 3.3Å; Q45-A47 PolarHBondContact NE2-O 2.9Å
46	V	84.3	Confident	84	Confident	71 Å²	71	36 Å²	36	43%	0.43	18%	0.176	S	C	.	.			trans	-115	-50.6	179.7	177.2	0	0	0	0	110.6	F134 E135	V46-F134 CarbonylContact O-C 3.51Å; V46-F134 WeakPolarHBondContact O-CA 3.32Å; V46-F134 WeakPolarHBondContact O-CB 3.43Å; V46-E135 HydrophobicContact CG1-CG 4.45Å; V46-E135 PolarHBondContact O-N 2.69Å
47	A	86	Confident	83.9	Confident	1 Å²	1	42 Å²	42	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.1	173.2	0	0	0	0	0	112.7	Q45 Y49 E135 Y137 E260	Q45-A47 VanDerWaalsContact CG-O 3.27Å; Q45-A47 WeakPolarHBondContact CG-O 3.3Å; Q45-A47 PolarHBondContact NE2-O 2.9Å; A47-Y49 HydrophobicContact CB-CE2 3.99Å; A47-E135 HydrophobicContact CB-CG 4.07Å; A47-Y137 HydrophobicContact CB-CD2 3.89Å; A47-Y137 HydrophobicContact CB-CE2 3.72Å; A47-E260 HydrophobicContact CB-CB 4.14Å; A47-E260 HydrophobicContact CB-CG 4.49Å; A47-E260 WeakPolarHBondContact CB-OE2 3.42Å; A47-E260 PolarHBondContact N-OE2 2.97Å
48	L	88.4	Confident	83.6	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.7	167.5	-177.1	136.8	0	0	0	109.5	Q36 L37 L40 V50 E135 L136 Y137	Q36-L48 HydrophobicContact CB-CD1 4.13Å; L37-L48 HydrophobicContact CD2-CD1 4.46Å; L40-L48 HydrophobicContact CD1-CB 4.02Å; L40-L48 HydrophobicContact CD1-CD1 3.38Å; L40-L48 HydrophobicContact CD1-CG 4.31Å; L40-L48 HydrophobicContact CG-CD1 4.38Å; L48-V50 HydrophobicContact CD2-CG2 3.34Å; L48-E135 PolarHBondContact N-O 3.02Å; L48-L136 HydrophobicContact CD2-CD1 3.87Å; L48-L136 HydrophobicContact CD2-CG 4.02Å; L48-L136 WeakPolarHBondContact O-CA 3.41Å; L48-Y137 PolarHBondContact O-N 2.99Å
49	Y	87.2	Confident	83.4	Confident	60 Å²	60	47.8 Å²	47.8	24%	0.235	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.8	174.3	-62	-77.4	0	0	0	108.4	A47 Y137 N261	A47-Y49 HydrophobicContact CB-CE2 3.99Å; Y49-Y137 WeakPolarHBondContact CA-O 3.24Å; Y49-Y137 HydrophobicContact CD1-CD2 4.12Å; Y49-Y137 HydrophobicContact CD1-CG 4.33Å; Y49-Y137 AromaticContact CE1-CD2 3.57Å; Y49-Y137 HydrophobicContact CE1-CD2 3.57Å; Y49-Y137 HydrophobicContact CE1-CE2 4.46Å; Y49-Y137 HydrophobicContact CE1-CG 4.01Å; Y49-N261 PolarHBondContact OH-OD1 3.34Å
50	V	88.1	Confident	83.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.9	171.8	-176.1	0	0	0	0	108.2	F16 Y33 L48 V55 F77 L136 Y137 F138 Q139	F16-V50 HydrophobicContact CE1-CG1 4.4Å; Y33-V50 HydrophobicContact CE1-CG1 4.47Å; L48-V50 HydrophobicContact CD2-CG2 3.34Å; V50-V55 HydrophobicContact CG1-CG2 4.01Å; V50-F77 HydrophobicContact CG1-CE1 4.19Å; V50-F77 HydrophobicContact CG2-CD1 4.37Å; V50-L136 HydrophobicContact CG2-CD1 4.07Å; V50-L136 HydrophobicContact CG2-CD2 3.98Å; V50-L136 HydrophobicContact CG2-CG 4.03Å; V50-Y137 PolarHBondContact N-O 3.33Å; V50-F138 HydrophobicContact CB-CD1 4.06Å; V50-F138 HydrophobicContact CB-CE1 4.33Å; V50-F138 HydrophobicContact CG1-CD1 4.45Å; V50-Q139 PolarHBondContact O-N 3.33Å
51	D	85.9	Confident	83.3	Confident	25 Å²	25	50.3 Å²	50.3	13%	0.134	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	178.9	-60.1	-17.5	0	0	0	109	K32 Y33 D53 D54 V55 Q139	K32-D51 IonicContact NZ-OD2 3.21Å; K32-D51 PolarHBondContact NZ-OD2 2.86Å; Y33-D51 PolarHBondContact OH-N 3.19Å; D51-D53 PolarHBondContact O-N 2.81Å; D51-D54 HydrophobicContact CB-CB 4.45Å; D51-D54 WeakPolarHBondContact O-CB 3.49Å; D51-D54 PolarHBondContact O-N 2.99Å; D51-V55 PolarHBondContact O-N 3.41Å; D51-Q139 VanDerWaalsContact CG-OE1 3.28Å; D51-Q139 VanDerWaalsContact OD1-CB 3.25Å; D51-Q139 WeakPolarHBondContact OD1-CB 3.12Å; D51-Q139 PolarHBondContact OD1-OE1 2.9Å
52	L	84.8	Confident	83.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-72.6	-13.6	-179.4	-67.9	176.9	0	0	0	112.9	V55 A56 V63 I66 F138 Q139 P141 L160	L52-V55 HydrophobicContact CD2-CG2 4.32Å; L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 2.73Å; L52-V63 HydrophobicContact CB-CG1 4.48Å; L52-I66 HydrophobicContact CD1-CG2 4.27Å; L52-I66 HydrophobicContact CD2-CB 4.49Å; L52-I66 HydrophobicContact CD2-CD1 3.85Å; L52-I66 HydrophobicContact CD2-CG2 3.98Å; L52-F138 HydrophobicContact CD1-CB 4.23Å; L52-F138 HydrophobicContact CD2-CD1 3.9Å; L52-F138 HydrophobicContact CD2-CE1 4.39Å; L52-F138 HydrophobicContact CG-CB 4.45Å; L52-F138 HydrophobicContact CG-CD1 4.38Å; L52-Q139 WeakPolarHBondContact CB-O 3.41Å; L52-Q139 WeakPolarHBondContact CG-O 3.49Å; L52-Q139 PolarHBondContact N-O 3.47Å; L52-P141 HydrophobicContact CB-CB 4.02Å; L52-P141 HydrophobicContact CB-CG 4.3Å; L52-L160 HydrophobicContact CD1-CD2 3.43Å; L52-L160 VanDerWaalsContact CD1-CD2 3.43Å
53	D	84.3	Confident	83.5	Confident	44 Å²	44	49.3 Å²	49.3	24%	0.235	25%	0.253	C	S	.	.	H	α-helix	trans	-70	-44.3	170.2	-68.5	-30.4	0	0	0	110.9	D51 V55 A56 E57 P141 S142	D51-D53 PolarHBondContact O-N 2.81Å; D53-V55 VanDerWaalsContact C-N 3.26Å; D53-V55 PolarHBondContact O-N 3.23Å; D53-A56 WeakPolarHBondContact O-CA 3.37Å; D53-A56 VanDerWaalsContact O-CB 3.32Å; D53-A56 WeakPolarHBondContact O-CB 3.37Å; D53-A56 PolarHBondContact O-N 3.13Å; D53-E57 PolarHBondContact O-N 3.17Å; D53-E57 VanDerWaalsContact O-N 3.12Å; D53-P141 WeakPolarHBondContact OD1-CA 3.23Å; D53-P141 WeakPolarHBondContact OD1-CB 3.49Å; D53-S142 VanDerWaalsContact CG-N 3.32Å; D53-S142 PolarHBondContact OD1-N 3.3Å; D53-S142 WeakPolarHBondContact OD2-CB 3.18Å; D53-S142 PolarHBondContact OD2-N 3.21Å; D53-S142 PolarHBondContact OD2-OG 3.38Å
54	D	84	Confident	83.9	Confident	14 Å²	14	51.4 Å²	51.4	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-41.5	173.1	-62.7	-6	0	0	0	110.9	F16 F20 K32 Y33 D51 A56 E57	F16-D54 HydrophobicContact CZ-CB 4.05Å; F20-D54 HydrophobicContact CD2-CB 4.45Å; F20-D54 HydrophobicContact CE1-CB 3.82Å; F20-D54 HydrophobicContact CE2-CB 3.72Å; F20-D54 HydrophobicContact CZ-CB 3.36Å; F20-D54 VanDerWaalsContact CZ-CG 3.41Å; K32-D54 IonicContact NZ-OD1 2.71Å; K32-D54 IonicContact NZ-OD2 3.6Å; K32-D54 PolarHBondContact NZ-OD2 3.36Å; Y33-D54 HydrophobicContact CE2-CB 4.13Å; Y33-D54 PolarHBondContact OH-OD2 3.02Å; D51-D54 HydrophobicContact CB-CB 4.45Å; D51-D54 WeakPolarHBondContact O-CB 3.49Å; D51-D54 PolarHBondContact O-N 2.99Å; D54-A56 VanDerWaalsContact C-N 3.28Å; D54-A56 PolarHBondContact O-N 3.4Å; D54-E57 PolarHBondContact O-N 3.33Å
55	V	82.4	Confident	84.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-67.2	-31.3	176.1	-175.6	0	0	0	0	111.6	F16 V50 D51 L52 D53 E57 D59 L62 V63 I66	F16-V55 HydrophobicContact CD1-CG2 4.31Å; F16-V55 HydrophobicContact CE1-CG2 3.6Å; F16-V55 HydrophobicContact CE2-CB 4.31Å; F16-V55 HydrophobicContact CE2-CG2 3.98Å; F16-V55 HydrophobicContact CZ-CB 4.19Å; F16-V55 HydrophobicContact CZ-CG2 3.41Å; F16-V55 VanDerWaalsContact CZ-CG2 3.41Å; V50-V55 HydrophobicContact CG1-CG2 4.01Å; D51-V55 PolarHBondContact O-N 3.41Å; L52-V55 HydrophobicContact CD2-CG2 4.32Å; D53-V55 VanDerWaalsContact C-N 3.26Å; D53-V55 PolarHBondContact O-N 3.23Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-D59 CarbonylContact O-C 3.56Å; V55-D59 PolarHBondContact O-N 3.24Å; V55-L62 HydrophobicContact CG1-CB 4.3Å; V55-L62 HydrophobicContact CG1-CD2 3.86Å; V55-L62 HydrophobicContact CG1-CG 4.23Å; V55-V63 HydrophobicContact CB-CG2 3.86Å; V55-V63 HydrophobicContact CG1-CG2 3.68Å; V55-I66 HydrophobicContact CG1-CD1 4.35Å
56	A	82.5	Confident	84.2	Confident	40 Å²	40	43 Å²	43	33%	0.331	23%	0.232	S	C	.	.	H	α-helix	trans	-71.1	-30.4	179.1	0	0	0	0	0	112.6	L52 D53 D54 V63	L52-A56 WeakPolarHBondContact O-CB 3.42Å; L52-A56 PolarHBondContact O-N 2.73Å; D53-A56 WeakPolarHBondContact O-CA 3.37Å; D53-A56 VanDerWaalsContact O-CB 3.32Å; D53-A56 WeakPolarHBondContact O-CB 3.37Å; D53-A56 PolarHBondContact O-N 3.13Å; D54-A56 VanDerWaalsContact C-N 3.28Å; D54-A56 PolarHBondContact O-N 3.4Å; A56-V63 HydrophobicContact CB-CG2 3.92Å
57	E	82.1	Confident	84.2	Confident	155 Å²	155	40.6 Å²	40.6	72%	0.724	22%	0.217	S	C	*	.	H	α-helix	trans	-66.7	-40.5	176.4	-68.6	-173.7	171.5	0	0	111.9	D53 D54 V55	D53-E57 PolarHBondContact O-N 3.17Å; D53-E57 VanDerWaalsContact O-N 3.12Å; D54-E57 PolarHBondContact O-N 3.33Å; V55-E57 VanDerWaalsContact C-N 3.34Å
58	D	77.7	Confident	84.3	Confident	81 Å²	81	45.2 Å²	45.2	43%	0.433	24%	0.239	S	C	.	.	H	α-helix	trans	-81.3	-51.9	177.9	-80.2	-30.1	0	0	0	112.6	F16 F20	F16-D58 HydrophobicContact CD2-CB 4.07Å; F16-D58 WeakPolarHBondContact CD2-OD2 3.37Å; F16-D58 HydrophobicContact CE2-CB 4.35Å; F16-D58 WeakPolarHBondContact CE2-OD2 3.29Å; F20-D58 WeakPolarHBondContact CD2-OD2 3.42Å
59	D	81	Confident	84.2	Confident	65 Å²	65	48.1 Å²	48.1	35%	0.348	25%	0.254	S	S	.	.			trans	-144.6	92.1	-171.4	-93.2	-34	0	0	0	112.1	V55 E61 L62	V55-D59 CarbonylContact O-C 3.56Å; V55-D59 PolarHBondContact O-N 3.24Å; D59-E61 VanDerWaalsContact C-N 3.29Å; D59-E61 PolarHBondContact O-N 3.44Å; D59-L62 HydrophobicContact CB-CB 3.99Å; D59-L62 WeakPolarHBondContact O-CB 3.43Å; D59-L62 PolarHBondContact O-N 3.04Å; D59-L62 VanDerWaalsContact O-N 3.15Å
60	P	82.5	Confident	84	Confident	85 Å²	85	45.2 Å²	45.2	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-64.5	-29.6	-179.7	23.4	-33.1	0	0	0	113.6	L62 V63 D64	P60-L62 VanDerWaalsContact C-N 3.26Å; P60-L62 PolarHBondContact O-N 3.44Å; P60-V63 PolarHBondContact O-N 2.96Å; P60-D64 PolarHBondContact O-N 3.47Å
61	E	84.9	Confident	83.9	Confident	115 Å²	115	51 Å²	51	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-28.6	178.3	-155.2	-159.8	149.6	0	0	112.4	K4 D59 S65	K4-E61 IonicContact NZ-OE1 3.39Å; K4-E61 PolarHBondContact NZ-OE1 3.45Å; D59-E61 VanDerWaalsContact C-N 3.29Å; D59-E61 PolarHBondContact O-N 3.44Å; E61-S65 PolarHBondContact O-N 3.45Å; E61-S65 PolarHBondContact O-OG 2.98Å
62	L	82.8	Confident	84	Confident	9 Å²	9	55.5 Å²	55.5	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-70.8	-39.5	176.8	-172.4	64	0	0	0	110.2	V13 V55 D59 P60 S65 I66 Y73	V13-L62 HydrophobicContact CG2-CD2 4.22Å; V55-L62 HydrophobicContact CG1-CB 4.3Å; V55-L62 HydrophobicContact CG1-CD2 3.86Å; V55-L62 HydrophobicContact CG1-CG 4.23Å; D59-L62 HydrophobicContact CB-CB 3.99Å; D59-L62 WeakPolarHBondContact O-CB 3.43Å; D59-L62 PolarHBondContact O-N 3.04Å; D59-L62 VanDerWaalsContact O-N 3.15Å; P60-L62 VanDerWaalsContact C-N 3.26Å; P60-L62 PolarHBondContact O-N 3.44Å; L62-S65 PolarHBondContact O-N 3.4Å; L62-I66 HydrophobicContact CG-CD1 3.95Å; L62-I66 HydrophobicContact CG-CG1 4.47Å; L62-I66 VanDerWaalsContact O-CG1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.38Å; L62-I66 PolarHBondContact O-N 3.44Å; L62-Y73 HydrophobicContact CD1-CE1 4.07Å
63	V	84.1	Confident	84.1	Confident	12 Å²	12	55.9 Å²	55.9	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-46.6	177.2	-179.8	0	0	0	0	111.5	L52 V55 A56 P60 S65 I66 C67 P141	L52-V63 HydrophobicContact CB-CG1 4.48Å; V55-V63 HydrophobicContact CB-CG2 3.86Å; V55-V63 HydrophobicContact CG1-CG2 3.68Å; A56-V63 HydrophobicContact CB-CG2 3.92Å; P60-V63 PolarHBondContact O-N 2.96Å; V63-S65 PolarHBondContact O-N 2.83Å; V63-I66 PolarHBondContact O-N 3.41Å; V63-C67 WeakPolarHBondContact O-CB 3.41Å; V63-C67 PolarHBondContact O-N 3.24Å; V63-P141 HydrophobicContact CG1-CG 4.39Å
64	D	85.3	Confident	84.2	Confident	113 Å²	113	54.7 Å²	54.7	60%	0.604	28%	0.278	S	S	*	.	H	α-helix	trans	-58.5	-40.2	176.4	-77.7	-17.4	0	0	0	111.6	P60 C67 E68	P60-D64 PolarHBondContact O-N 3.47Å; D64-C67 PolarHBondContact O-N 3.35Å; D64-E68 PolarHBondContact O-N 3.23Å
65	S	85.3	Confident	84.4	Confident	12 Å²	12	59.1 Å²	59.1	8%	0.084	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-40.6	179	-50.7	0	0	0	0	111.7	K4 E61 L62 V63 E68 N69 Y73	K4-S65 PolarHBondContact NZ-OG 2.81Å; E61-S65 PolarHBondContact O-N 3.45Å; E61-S65 PolarHBondContact O-OG 2.98Å; L62-S65 PolarHBondContact O-N 3.4Å; V63-S65 PolarHBondContact O-N 2.83Å; S65-E68 PolarHBondContact O-N 2.97Å; S65-N69 PolarHBondContact O-N 2.92Å; S65-Y73 VanDerWaalsContact C-CE2 3.4Å; S65-Y73 VanDerWaalsContact CB-OH 3.28Å; S65-Y73 WeakPolarHBondContact CB-OH 3.22Å; S65-Y73 WeakPolarHBondContact O-CD2 3.41Å; S65-Y73 WeakPolarHBondContact O-CE2 3.34Å
66	I	85.3	Confident	84.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-43.4	173.3	-65.7	163.5	0	0	0	110.2	L52 V55 L62 V63 E68 N69 A70 Y73 F77 F138	L52-I66 HydrophobicContact CD1-CG2 4.27Å; L52-I66 HydrophobicContact CD2-CB 4.49Å; L52-I66 HydrophobicContact CD2-CD1 3.85Å; L52-I66 HydrophobicContact CD2-CG2 3.98Å; V55-I66 HydrophobicContact CG1-CD1 4.35Å; L62-I66 HydrophobicContact CG-CD1 3.95Å; L62-I66 HydrophobicContact CG-CG1 4.47Å; L62-I66 VanDerWaalsContact O-CG1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.38Å; L62-I66 PolarHBondContact O-N 3.44Å; V63-I66 PolarHBondContact O-N 3.41Å; I66-E68 VanDerWaalsContact C-N 3.3Å; I66-E68 PolarHBondContact O-N 3.47Å; I66-N69 CarbonylContact O-C 3.39Å; I66-N69 PolarHBondContact O-N 2.75Å; I66-A70 WeakPolarHBondContact O-CA 3.23Å; I66-A70 VanDerWaalsContact O-CB 3.31Å; I66-A70 WeakPolarHBondContact O-CB 3.35Å; I66-A70 PolarHBondContact O-N 2.89Å; I66-Y73 HydrophobicContact CB-CD2 4.39Å; I66-Y73 HydrophobicContact CB-CG 4.4Å; I66-Y73 HydrophobicContact CG1-CD1 3.93Å; I66-Y73 HydrophobicContact CG1-CD2 4.07Å; I66-Y73 HydrophobicContact CG1-CG 3.68Å; I66-F77 HydrophobicContact CD1-CE2 3.86Å; I66-F77 HydrophobicContact CD1-CZ 4.05Å; I66-F77 HydrophobicContact CG1-CE2 4.43Å; I66-F138 HydrophobicContact CG2-CD2 4.44Å; I66-F138 HydrophobicContact CG2-CE1 4.35Å; I66-F138 HydrophobicContact CG2-CE2 4.24Å; I66-F138 HydrophobicContact CG2-CZ 4.21Å
67	C	84.6	Confident	84.8	Confident	20 Å²	20	58.3 Å²	58.3	14%	0.135	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-32.5	178	-79.2	0	0	0	0	112.6	V63 D64 K159 L160	V63-C67 WeakPolarHBondContact O-CB 3.41Å; V63-C67 PolarHBondContact O-N 3.24Å; D64-C67 PolarHBondContact O-N 3.35Å; C67-K159 WeakPolarHBondContact O-CA 3.34Å; C67-K159 VanDerWaalsContact O-CB 3.22Å; C67-K159 WeakPolarHBondContact O-CB 3.47Å; C67-L160 PolarHBondContact O-N 2.65Å; C67-L160 VanDerWaalsContact O-N 3.12Å
68	E	86.4	Confident	85	Confident	97 Å²	97	51.4 Å²	51.4	45%	0.453	26%	0.256	S	S	.	.	H	α-helix	trans	-76.1	-40.3	174.5	-78.2	-158.3	151.8	0	0	114	D64 S65 I66	D64-E68 PolarHBondContact O-N 3.23Å; S65-E68 PolarHBondContact O-N 2.97Å; I66-E68 VanDerWaalsContact C-N 3.3Å; I66-E68 PolarHBondContact O-N 3.47Å
69	N	86.6	Confident	85.4	Confident	62 Å²	62	49.9 Å²	49.9	33%	0.332	25%	0.248	S	C	.	.			trans	-135.7	58.5	-174.8	-167	-4	0	0	0	113.4	S65 I66 R71 R72 Y73	S65-N69 PolarHBondContact O-N 2.92Å; I66-N69 CarbonylContact O-C 3.39Å; I66-N69 PolarHBondContact O-N 2.75Å; N69-R71 PolarHBondContact O-N 2.87Å; N69-R71 VanDerWaalsContact O-N 3.13Å; N69-R72 PolarHBondContact O-N 2.66Å; N69-Y73 HydrophobicContact CB-CD2 4.47Å; N69-Y73 HydrophobicContact CB-CE2 4.4Å; N69-Y73 VanDerWaalsContact O-CD2 3.23Å; N69-Y73 WeakPolarHBondContact O-CD2 3.2Å; N69-Y73 PolarHBondContact O-N 3.4Å
70	A	84.1	Confident	85.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-33.4	-172.6	0	0	0	0	0	113.6	I66 R72 Y73 A74 L160 I276	I66-A70 WeakPolarHBondContact O-CA 3.23Å; I66-A70 VanDerWaalsContact O-CB 3.31Å; I66-A70 WeakPolarHBondContact O-CB 3.35Å; I66-A70 PolarHBondContact O-N 2.89Å; A70-R72 PolarHBondContact O-N 2.7Å; A70-Y73 PolarHBondContact O-N 3.06Å; A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 3.06Å; A70-L160 HydrophobicContact CB-CB 4.09Å; A70-L160 HydrophobicContact CB-CD1 4.36Å; A70-I276 HydrophobicContact CB-CD1 3.53Å; A70-I276 HydrophobicContact CB-CG1 3.71Å
71	R	86.2	Confident	85.8	Confident	121 Å²	121	42.8 Å²	42.8	46%	0.457	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-40.4	-177.7	-173.8	175.8	179.8	177	2.7	112.2	N69 K75 I276	N69-R71 PolarHBondContact O-N 2.87Å; N69-R71 VanDerWaalsContact O-N 3.13Å; R71-K75 PolarHBondContact O-N 3.2Å; R71-I276 HydrophobicContact CB-CD1 4.22Å
72	R	87.3	Confident	85.8	Confident	119 Å²	119	40 Å²	40	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-74.3	-41	179.9	-167.9	169.9	-176.5	167.9	2.1	111	Y6 N69 A70 K75 L76	Y6-R72 VanDerWaalsContact CD2-NH2 3.32Å; Y6-R72 HydrophobicContact CE1-CG 4.36Å; Y6-R72 PolarHBondContact OH-NH1 3.15Å; N69-R72 PolarHBondContact O-N 2.66Å; A70-R72 PolarHBondContact O-N 2.7Å; R72-K75 WeakPolarHBondContact O-CB 3.2Å; R72-K75 PolarHBondContact O-N 3.33Å; R72-L76 WeakPolarHBondContact O-CG 3.48Å; R72-L76 PolarHBondContact O-N 3.33Å
73	Y	87.3	Confident	85.9	Confident	8 Å²	8	44.4 Å²	44.4	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-39.2	174.8	-74.1	-77	0	0	0	112.1	E9 L62 S65 I66 N69 A70 K75 L76 F77	E9-Y73 PolarHBondContact OE1-OH 3.06Å; E9-Y73 WeakPolarHBondContact OE2-CE1 3.36Å; E9-Y73 PolarHBondContact OE2-OH 2.77Å; L62-Y73 HydrophobicContact CD1-CE1 4.07Å; S65-Y73 VanDerWaalsContact C-CE2 3.4Å; S65-Y73 VanDerWaalsContact CB-OH 3.28Å; S65-Y73 WeakPolarHBondContact CB-OH 3.22Å; S65-Y73 WeakPolarHBondContact O-CD2 3.41Å; S65-Y73 WeakPolarHBondContact O-CE2 3.34Å; I66-Y73 HydrophobicContact CB-CD2 4.39Å; I66-Y73 HydrophobicContact CB-CG 4.4Å; I66-Y73 HydrophobicContact CG1-CD1 3.93Å; I66-Y73 HydrophobicContact CG1-CD2 4.07Å; I66-Y73 HydrophobicContact CG1-CG 3.68Å; N69-Y73 HydrophobicContact CB-CD2 4.47Å; N69-Y73 HydrophobicContact CB-CE2 4.4Å; N69-Y73 VanDerWaalsContact O-CD2 3.23Å; N69-Y73 WeakPolarHBondContact O-CD2 3.2Å; N69-Y73 PolarHBondContact O-N 3.4Å; A70-Y73 PolarHBondContact O-N 3.06Å; Y73-K75 PolarHBondContact O-N 2.57Å; Y73-L76 HydrophobicContact CD1-CD1 4.19Å; Y73-L76 HydrophobicContact CE1-CD1 4.39Å; Y73-L76 PolarHBondContact O-N 3.02Å; Y73-L76 VanDerWaalsContact O-N 3.07Å; Y73-F77 WeakPolarHBondContact O-CB 3.31Å; Y73-F77 VanDerWaalsContact O-CD2 3.3Å; Y73-F77 WeakPolarHBondContact O-CD2 3.48Å; Y73-F77 PolarHBondContact O-N 3.07Å
74	A	86.5	Confident	85.8	Confident	20 Å²	20	44.2 Å²	44.2	17%	0.165	21%	0.211	C	C	.	.	H	α-helix	trans	-54.4	-42.2	173.1	0	0	0	0	0	111.7	A70 A78 F138	A70-A74 WeakPolarHBondContact O-CB 3.31Å; A70-A74 PolarHBondContact O-N 3.06Å; A74-A78 VanDerWaalsContact O-CB 3.31Å; A74-A78 WeakPolarHBondContact O-CB 3.42Å; A74-A78 PolarHBondContact O-N 2.88Å; A74-F138 HydrophobicContact CB-CE2 3.78Å; A74-F138 HydrophobicContact CB-CZ 4.49Å
75	K	86.8	Confident	85.5	Confident	107 Å²	107	40.1 Å²	40.1	47%	0.465	19%	0.189	S	C	.	.	H	α-helix	trans	-67.9	-42.9	176.2	-169	173	-179	168.6	0	112.4	R71 R72 Y73 A78 D79 E129	R71-K75 PolarHBondContact O-N 3.2Å; R72-K75 WeakPolarHBondContact O-CB 3.2Å; R72-K75 PolarHBondContact O-N 3.33Å; Y73-K75 PolarHBondContact O-N 2.57Å; K75-A78 PolarHBondContact O-N 3.23Å; K75-D79 PolarHBondContact O-N 2.85Å; K75-E129 IonicContact NZ-OE1 3.68Å
76	L	87.8	Confident	85	Confident	24 Å²	24	44.2 Å²	44.2	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-42.9	178.5	-72.5	169.8	0	0	0	112.6	Y6 R72 Y73 D79 S80	Y6-L76 HydrophobicContact CD1-CD1 3.78Å; R72-L76 WeakPolarHBondContact O-CG 3.48Å; R72-L76 PolarHBondContact O-N 3.33Å; Y73-L76 HydrophobicContact CD1-CD1 4.19Å; Y73-L76 HydrophobicContact CE1-CD1 4.39Å; Y73-L76 PolarHBondContact O-N 3.02Å; Y73-L76 VanDerWaalsContact O-N 3.07Å; L76-D79 PolarHBondContact O-N 2.82Å; L76-S80 WeakPolarHBondContact O-CB 3.22Å; L76-S80 PolarHBondContact O-N 2.58Å; L76-S80 PolarHBondContact O-OG 3.38Å
77	F	86.8	Confident	84.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-44.7	173.8	-88.5	-102.3	0	0	0	110.4	V13 V50 I66 Y73 D79 S80 V81 L136 F138	V13-F77 HydrophobicContact CB-CE2 4.39Å; V13-F77 HydrophobicContact CB-CZ 4.33Å; V13-F77 HydrophobicContact CG1-CD1 3.52Å; V13-F77 HydrophobicContact CG1-CD2 3.93Å; V13-F77 HydrophobicContact CG1-CE1 3.55Å; V13-F77 HydrophobicContact CG1-CE2 3.97Å; V13-F77 HydrophobicContact CG1-CG 3.73Å; V13-F77 HydrophobicContact CG1-CZ 3.78Å; V13-F77 HydrophobicContact CG2-CD2 3.98Å; V13-F77 HydrophobicContact CG2-CE1 4.3Å; V13-F77 HydrophobicContact CG2-CE2 3.46Å; V13-F77 VanDerWaalsContact CG2-CE2 3.46Å; V13-F77 HydrophobicContact CG2-CZ 3.65Å; V50-F77 HydrophobicContact CG1-CE1 4.19Å; V50-F77 HydrophobicContact CG2-CD1 4.37Å; I66-F77 HydrophobicContact CD1-CE2 3.86Å; I66-F77 HydrophobicContact CD1-CZ 4.05Å; I66-F77 HydrophobicContact CG1-CE2 4.43Å; Y73-F77 WeakPolarHBondContact O-CB 3.31Å; Y73-F77 VanDerWaalsContact O-CD2 3.3Å; Y73-F77 WeakPolarHBondContact O-CD2 3.48Å; Y73-F77 PolarHBondContact O-N 3.07Å; F77-D79 VanDerWaalsContact C-N 3.33Å; F77-D79 PolarHBondContact O-N 3.01Å; F77-S80 PolarHBondContact O-N 2.85Å; F77-S80 VanDerWaalsContact O-N 3.16Å; F77-V81 WeakPolarHBondContact O-CG2 3.31Å; F77-V81 PolarHBondContact O-N 2.94Å; F77-L136 HydrophobicContact CB-CD1 3.63Å; F77-L136 HydrophobicContact CB-CD2 4.21Å; F77-L136 HydrophobicContact CD1-CD1 4.45Å; F77-L136 HydrophobicContact CG-CD1 4.49Å; F77-F138 HydrophobicContact CD1-CE1 4.48Å; F77-F138 HydrophobicContact CD2-CE1 4.21Å; F77-F138 AromaticContact CD2-CZ 3.97Å; F77-F138 HydrophobicContact CD2-CZ 3.97Å; F77-F138 HydrophobicContact CE2-CE1 4.28Å; F77-F138 HydrophobicContact CE2-CZ 4.33Å; F77-F138 HydrophobicContact CG-CE1 4.3Å; F77-F138 HydrophobicContact CG-CZ 4.24Å; F77-F138 HydrophobicContact CZ-CE1 4.45Å
78	A	85.9	Confident	83.9	Confident	10 Å²	10	52.3 Å²	52.3	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-38.8	175.6	0	0	0	0	0	112.8	A74 K75 Q82 F134	A74-A78 VanDerWaalsContact O-CB 3.31Å; A74-A78 WeakPolarHBondContact O-CB 3.42Å; A74-A78 PolarHBondContact O-N 2.88Å; K75-A78 PolarHBondContact O-N 3.23Å; A78-Q82 VanDerWaalsContact O-CB 3.31Å; A78-Q82 WeakPolarHBondContact O-CB 3.33Å; A78-Q82 PolarHBondContact O-N 3.2Å; A78-F134 HydrophobicContact CB-CE2 4.44Å; A78-F134 WeakPolarHBondContact O-CZ 3.49Å
79	D	86.9	Confident	83.2	Confident	49 Å²	49	53.1 Å²	53.1	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-66.5	-37.7	173.8	-79.4	-40.7	0	0	0	112.4	K75 L76 F77 E83 R132	K75-D79 PolarHBondContact O-N 2.85Å; L76-D79 PolarHBondContact O-N 2.82Å; F77-D79 VanDerWaalsContact C-N 3.33Å; F77-D79 PolarHBondContact O-N 3.01Å; D79-E83 PolarHBondContact O-N 3.42Å; D79-R132 IonicContact OD1-CZ 2.75Å; D79-R132 IonicContact OD1-NH2 2.95Å; D79-R132 PolarHBondContact OD1-NH2 3.33Å; D79-R132 IonicContact OD2-NH2 2.87Å
80	S	86	Confident	82.2	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-45.1	179.3	-55.6	0	0	0	0	111.5	K10 L76 F77 Q82 E83 L84	K10-S80 VanDerWaalsContact CG-OG 3.31Å; K10-S80 WeakPolarHBondContact CG-OG 3.12Å; L76-S80 WeakPolarHBondContact O-CB 3.22Å; L76-S80 PolarHBondContact O-N 2.58Å; L76-S80 PolarHBondContact O-OG 3.38Å; F77-S80 PolarHBondContact O-N 2.85Å; F77-S80 VanDerWaalsContact O-N 3.16Å; S80-Q82 VanDerWaalsContact C-N 3.32Å; S80-Q82 PolarHBondContact O-N 3.21Å; S80-E83 PolarHBondContact O-N 2.82Å; S80-L84 WeakPolarHBondContact O-CG 3.11Å; S80-L84 PolarHBondContact O-N 3.34Å; S80-L84 VanDerWaalsContact O-N 3.12Å
81	V	85.7	Confident	81.5	Confident	0 Å²	0	66 Å²	66	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-43.5	174.2	172.7	0	0	0	0	110.6	L17 L37 L40 F77 E83 L84 L85 F134 L136	L17-V81 HydrophobicContact CD1-CG2 3.78Å; L37-V81 HydrophobicContact CD2-CG1 3.72Å; L37-V81 HydrophobicContact CD2-CG2 4.32Å; L40-V81 HydrophobicContact CD1-CG1 4.37Å; F77-V81 WeakPolarHBondContact O-CG2 3.31Å; F77-V81 PolarHBondContact O-N 2.94Å; V81-E83 VanDerWaalsContact C-N 3.27Å; V81-E83 PolarHBondContact O-N 3.42Å; V81-L84 PolarHBondContact O-N 3.09Å; V81-L84 VanDerWaalsContact O-N 3.11Å; V81-L85 HydrophobicContact CG1-CD1 4.43Å; V81-L85 HydrophobicContact CG1-CG 4.22Å; V81-L85 WeakPolarHBondContact O-CG 3.23Å; V81-L85 PolarHBondContact O-N 2.94Å; V81-F134 HydrophobicContact CB-CE2 3.79Å; V81-F134 HydrophobicContact CB-CZ 3.66Å; V81-F134 HydrophobicContact CG1-CD1 4.47Å; V81-F134 HydrophobicContact CG1-CD2 4.13Å; V81-F134 HydrophobicContact CG1-CE1 3.92Å; V81-F134 HydrophobicContact CG1-CE2 3.52Å; V81-F134 HydrophobicContact CG1-CZ 3.4Å; V81-F134 VanDerWaalsContact CG1-CZ 3.4Å; V81-L136 HydrophobicContact CG2-CD1 4.24Å
82	Q	83.9	Confident	80.3	Confident	56 Å²	56	69.1 Å²	69.1	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-60.4	-35.7	178.6	-176.3	65.4	38.2	0	0	113	A78 S80 F134	A78-Q82 VanDerWaalsContact O-CB 3.31Å; A78-Q82 WeakPolarHBondContact O-CB 3.33Å; A78-Q82 PolarHBondContact O-N 3.2Å; S80-Q82 VanDerWaalsContact C-N 3.32Å; S80-Q82 PolarHBondContact O-N 3.21Å; Q82-F134 HydrophobicContact CB-CE1 4.46Å; Q82-F134 HydrophobicContact CB-CZ 4.43Å
83	E	84.8	Confident	79.2	Confident	102 Å²	102	64.9 Å²	64.9	48%	0.477	31%	0.308	S	S	.	.	H	α-helix	trans	-73.3	-31.4	177.3	-160.9	177.5	161.6	0	0	112.1	K10 K14 D79 S80 V81 P86	K10-E83 IonicContact NZ-OE2 2.79Å; K10-E83 PolarHBondContact NZ-OE2 3.39Å; K14-E83 WeakPolarHBondContact CE-OE2 3.46Å; K14-E83 IonicContact NZ-OE1 3.87Å; K14-E83 PolarHBondContact NZ-OE1 3.19Å; K14-E83 IonicContact NZ-OE2 2.86Å; K14-E83 PolarHBondContact NZ-OE2 3Å; D79-E83 PolarHBondContact O-N 3.42Å; S80-E83 PolarHBondContact O-N 2.82Å; V81-E83 VanDerWaalsContact C-N 3.27Å; V81-E83 PolarHBondContact O-N 3.42Å; E83-P86 WeakPolarHBondContact O-CD 3.29Å
84	L	81.9	Confident	78	Confident	8 Å²	8	70.1 Å²	70.1	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-80.9	-32.5	179	-69.4	177.4	0	0	0	113.6	L17 Q18 S80 V81 P86 Q87 Y88	L17-L84 HydrophobicContact CB-CD1 4.05Å; L17-L84 HydrophobicContact CD1-CD1 4.09Å; Q18-L84 HydrophobicContact CG-CD1 4.42Å; Q18-L84 HydrophobicContact CG-CD2 4.42Å; S80-L84 WeakPolarHBondContact O-CG 3.11Å; S80-L84 PolarHBondContact O-N 3.34Å; S80-L84 VanDerWaalsContact O-N 3.12Å; V81-L84 PolarHBondContact O-N 3.09Å; V81-L84 VanDerWaalsContact O-N 3.11Å; L84-P86 VanDerWaalsContact C-N 3.33Å; L84-P86 VanDerWaalsContact O-N 3.14Å; L84-Q87 WeakPolarHBondContact O-CB 3.48Å; L84-Q87 PolarHBondContact O-N 3.12Å; L84-Y88 HydrophobicContact CB-CD2 4.39Å; L84-Y88 HydrophobicContact CB-CE2 4.2Å; L84-Y88 WeakPolarHBondContact O-CD2 3.44Å
85	L	78.6	Confident	77	Confident	28 Å²	28	72 Å²	72	15%	0.147	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-48.9	-41.1	-175.9	-82	172.9	0	0	0	115.3	L40 A41 V81 Q87 Y88 F134	L40-L85 HydrophobicContact CB-CD2 4.01Å; A41-L85 HydrophobicContact CB-CD2 4.16Å; V81-L85 HydrophobicContact CG1-CD1 4.43Å; V81-L85 HydrophobicContact CG1-CG 4.22Å; V81-L85 WeakPolarHBondContact O-CG 3.23Å; V81-L85 PolarHBondContact O-N 2.94Å; L85-Q87 VanDerWaalsContact C-N 3.26Å; L85-Q87 PolarHBondContact O-N 3.13Å; L85-Y88 PolarHBondContact O-N 3.21Å; L85-F134 HydrophobicContact CD1-CD1 3.72Å; L85-F134 HydrophobicContact CD1-CE1 3.51Å
86	P	75.1	Confident	75.9	Confident	97 Å²	97	73.7 Å²	73.7	63%	0.63	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-63.3	-28.2	177.8	-23.3	35.1	0	0	0	114.2	E83 L84	E83-P86 WeakPolarHBondContact O-CD 3.29Å; L84-P86 VanDerWaalsContact C-N 3.33Å; L84-P86 VanDerWaalsContact O-N 3.14Å
87	Q	75.9	Confident	74.8	Confident	139 Å²	139	76.5 Å²	76.5	65%	0.65	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-74.5	-28.4	-177.7	-168.7	177.1	10	0	0	112.5	L84 L85	L84-Q87 WeakPolarHBondContact O-CB 3.48Å; L84-Q87 PolarHBondContact O-N 3.12Å; L85-Q87 VanDerWaalsContact C-N 3.26Å; L85-Q87 PolarHBondContact O-N 3.13Å
88	Y	70.9	Confident	74.1	Confident	51 Å²	51	80.9 Å²	80.9	20%	0.2	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-98.8	11.9	-175.1	-67.9	-79.5	0	0	0	113.7	L37 V38 L84 L85 E90	L37-Y88 HydrophobicContact CB-CD2 4.5Å; L37-Y88 HydrophobicContact CD1-CD2 4.41Å; L37-Y88 HydrophobicContact CD1-CE2 4.18Å; V38-Y88 HydrophobicContact CG2-CD1 4.29Å; L84-Y88 HydrophobicContact CB-CD2 4.39Å; L84-Y88 HydrophobicContact CB-CE2 4.2Å; L84-Y88 WeakPolarHBondContact O-CD2 3.44Å; L85-Y88 PolarHBondContact O-N 3.21Å; Y88-E90 PolarHBondContact O-N 2.82Å; Y88-E90 VanDerWaalsContact O-N 3.13Å
89	K	71.3	Confident	73.4	Confident	114 Å²	114	83.2 Å²	83.2	50%	0.496	41%	0.408	S	S	.	.			trans	-83	90	-179	-163.6	-178.1	-175.2	-170.5	0	110.3
90	E	67.3	Low	72.5	Confident	145 Å²	145	80.9 Å²	80.9	68%	0.678	40%	0.396	S	S	*	.			trans	-80.2	-26.5	-179.1	-62.2	-179.5	171.4	0	0	113.3	Y88	Y88-E90 PolarHBondContact O-N 2.82Å; Y88-E90 VanDerWaalsContact O-N 3.13Å
91	R	68.9	Low	71.9	Confident	187 Å²	187	84.7 Å²	84.7	71%	0.706	42%	0.419	S	S	*	.	S	Bend	trans	-127.9	147.5	-179.9	-62.8	-178	-178.9	179.4	0.9	112.4	H42 V93	H42-R91 PolarHBondContact NE2-N 3.49Å; R91-V93 PolarHBondContact O-N 3.15Å
92	E	61.5	Low	71.3	Confident	187 Å²	187	87.7 Å²	87.7	87%	0.874	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-68.6	123.1	167.3	-70.4	-168.7	165	0	0	109.6
93	V	62.9	Low	70.7	Confident	30 Å²	30	85.7 Å²	85.7	18%	0.182	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-84	127	-173.7	-147.9	0	0	0	0	109	H42 R43 R91	H42-V93 WeakPolarHBondContact O-CG1 3.42Å; R43-V93 HydrophobicContact CB-CG1 4.18Å; R43-V93 HydrophobicContact CG-CG1 3.93Å; R91-V93 PolarHBondContact O-N 3.15Å
94	V	63.1	Low	70.1	Confident	118 Å²	118	84.6 Å²	84.6	72%	0.715	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-68.3	132.1	170.4	-178	0	0	0	0	108.7	K96	V94-K96 PolarHBondContact O-N 3.01Å; V94-K96 VanDerWaalsContact O-N 3.13Å
95	N	64	Low	69.7	Low	60 Å²	60	89.2 Å²	89.2	32%	0.321	44%	0.438	S	S	.	.			trans	-63.5	113.5	176.7	-71.1	-23.8	0	0	0	110.4	R43 D100 V101 E104	R43-N95 PolarHBondContact NH1-OD1 3.11Å; N95-D100 HydrophobicContact CB-CB 4.4Å; N95-V101 HydrophobicContact CB-CG2 4.17Å; N95-E104 PolarHBondContact ND2-OE2 2.94Å
96	K	65.3	Low	69.4	Low	143 Å²	143	88.1 Å²	88.1	62%	0.622	43%	0.431	S	S	*	.			trans	-89.6	-25.6	179.2	-65.2	-178.9	-175.4	172.6	0	112.4	R43 V94	R43-K96 PolarHBondContact O-NZ 3.14Å; V94-K96 PolarHBondContact O-N 3.01Å; V94-K96 VanDerWaalsContact O-N 3.13Å
97	D	64.9	Low	69.2	Low	82 Å²	82	86.8 Å²	86.8	44%	0.439	42%	0.418	S	S	.	.	S	Bend	trans	-139	157	-164.6	-163.4	11.8	0	0	0	114	L99 D100 V101 R133	D97-L99 VanDerWaalsContact C-N 3.31Å; D97-L99 PolarHBondContact O-N 3.16Å; D97-D100 VanDerWaalsContact O-CB 3.31Å; D97-D100 WeakPolarHBondContact O-CB 3.34Å; D97-D100 PolarHBondContact O-N 3.47Å; D97-V101 PolarHBondContact O-N 3.42Å; D97-R133 IonicContact OD2-NH2 2.82Å
98	V	70.2	Confident	69	Low	93 Å²	93	84.5 Å²	84.5	56%	0.564	41%	0.409	S	S	*	.	H	α-helix	trans	-62.5	-40	-177.5	177.6	0	0	0	0	110.9	D100 V101 Y102	V98-D100 PolarHBondContact O-N 3.37Å; V98-V101 PolarHBondContact O-N 3.01Å; V98-Y102 HydrophobicContact CG1-CD2 3.78Å; V98-Y102 HydrophobicContact CG1-CE2 3.54Å; V98-Y102 WeakPolarHBondContact O-CD2 3.42Å; V98-Y102 PolarHBondContact O-N 3.49Å; V98-Y102 VanDerWaalsContact O-N 3.1Å
99	L	71.3	Confident	68.9	Low	58 Å²	58	86 Å²	86	30%	0.304	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-30.8	175	-82.3	158.1	0	0	0	112.4	D97 Y102 I103 R133	D97-L99 VanDerWaalsContact C-N 3.31Å; D97-L99 PolarHBondContact O-N 3.16Å; L99-Y102 PolarHBondContact O-N 3.21Å; L99-I103 WeakPolarHBondContact O-CB 3.46Å; L99-I103 WeakPolarHBondContact O-CD1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.33Å; L99-I103 PolarHBondContact O-N 2.89Å; L99-R133 VanDerWaalsContact CB-NH2 3.26Å
100	D	69.3	Low	68.7	Low	1 Å²	1	83 Å²	83	1%	0.005	41%	0.407	C	S	.	.	H	α-helix	trans	-69.8	-43.9	178.5	-84.9	-42.7	0	0	0	110.8	R43 N95 D97 V98 Y102 I103 E104 R133	R43-D100 VanDerWaalsContact CZ-CG 3.42Å; R43-D100 IonicContact CZ-OD1 2.86Å; R43-D100 IonicContact CZ-OD2 3.55Å; R43-D100 IonicContact NE-OD1 3.3Å; R43-D100 IonicContact NH1-OD1 3.99Å; R43-D100 PolarHBondContact NH1-OD1 3.14Å; R43-D100 IonicContact NH1-OD2 2.58Å; R43-D100 PolarHBondContact NH1-OD2 3.16Å; R43-D100 IonicContact NH2-OD1 3.71Å; R43-D100 PolarHBondContact NH2-OD1 3.5Å; N95-D100 HydrophobicContact CB-CB 4.4Å; D97-D100 VanDerWaalsContact O-CB 3.31Å; D97-D100 WeakPolarHBondContact O-CB 3.34Å; D97-D100 PolarHBondContact O-N 3.47Å; V98-D100 PolarHBondContact O-N 3.37Å; D100-Y102 VanDerWaalsContact C-N 3.26Å; D100-Y102 PolarHBondContact O-N 3.46Å; D100-I103 PolarHBondContact O-N 2.82Å; D100-I103 VanDerWaalsContact O-N 3.15Å; D100-E104 WeakPolarHBondContact O-CB 3.48Å; D100-E104 PolarHBondContact O-N 2.95Å; D100-R133 WeakPolarHBondContact OD1-CD 3.49Å; D100-R133 IonicContact OD1-CZ 3.65Å; D100-R133 IonicContact OD1-NE 3.92Å; D100-R133 PolarHBondContact OD1-NE 3.2Å; D100-R133 IonicContact OD1-NH1 3.82Å; D100-R133 PolarHBondContact OD1-NH1 2.88Å; D100-R133 IonicContact OD1-NH2 3.89Å; D100-R133 PolarHBondContact OD1-NH2 3.23Å; D100-R133 VanDerWaalsContact OD1-NH2 3.13Å; D100-R133 IonicContact OD2-CZ 3.62Å; D100-R133 VanDerWaalsContact OD2-CZ 3.22Å; D100-R133 IonicContact OD2-NH1 3.75Å; D100-R133 PolarHBondContact OD2-NH1 2.85Å; D100-R133 IonicContact OD2-NH2 3.5Å; D100-R133 PolarHBondContact OD2-NH2 3.43Å
101	V	73.1	Confident	68.6	Low	80 Å²	80	82.9 Å²	82.9	49%	0.485	41%	0.406	S	S	.	.	H	α-helix	trans	-61.3	-40.6	177.3	-179	0	0	0	0	110.1	N95 D97 V98 H105	N95-V101 HydrophobicContact CB-CG2 4.17Å; D97-V101 PolarHBondContact O-N 3.42Å; V98-V101 PolarHBondContact O-N 3.01Å; V101-H105 WeakPolarHBondContact O-CB 3.48Å; V101-H105 PolarHBondContact O-N 3.49Å
102	Y	73.2	Confident	68.5	Low	62 Å²	62	83 Å²	83	24%	0.243	41%	0.406	C	S	.	.	H	α-helix	trans	-65.7	-41.6	173.9	-82	-71.7	0	0	0	112.8	V98 L99 D100 R106 R225	V98-Y102 HydrophobicContact CG1-CD2 3.78Å; V98-Y102 HydrophobicContact CG1-CE2 3.54Å; V98-Y102 WeakPolarHBondContact O-CD2 3.42Å; V98-Y102 PolarHBondContact O-N 3.49Å; V98-Y102 VanDerWaalsContact O-N 3.1Å; L99-Y102 PolarHBondContact O-N 3.21Å; D100-Y102 VanDerWaalsContact C-N 3.26Å; D100-Y102 PolarHBondContact O-N 3.46Å; Y102-R106 WeakPolarHBondContact O-CB 3.39Å; Y102-R106 WeakPolarHBondContact O-CD 3.4Å; Y102-R106 WeakPolarHBondContact O-CG 3.25Å; Y102-R106 PolarHBondContact O-N 3.31Å; Y102-R225 HydrophobicContact CE2-CB 4.16Å
103	I	71.7	Confident	68.3	Low	14 Å²	14	76.7 Å²	76.7	7%	0.072	38%	0.383	C	S	.	.	H	α-helix	trans	-63.1	-45	177.3	-76.7	166.3	0	0	0	110.9	L99 D100 R106 L107 M131 R133	L99-I103 WeakPolarHBondContact O-CB 3.46Å; L99-I103 WeakPolarHBondContact O-CD1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.33Å; L99-I103 PolarHBondContact O-N 2.89Å; D100-I103 PolarHBondContact O-N 2.82Å; D100-I103 VanDerWaalsContact O-N 3.15Å; I103-R106 WeakPolarHBondContact O-CB 3.22Å; I103-R106 PolarHBondContact O-N 2.83Å; I103-L107 HydrophobicContact CG2-CD1 3.91Å; I103-L107 WeakPolarHBondContact O-CG 3.44Å; I103-L107 PolarHBondContact O-N 2.83Å; I103-M131 HydrophobicContact CB-SD 4.47Å; I103-M131 HydrophobicContact CG1-SD 4.16Å; I103-M131 HydrophobicContact CG2-CE 3.59Å; I103-M131 HydrophobicContact CG2-SD 3.85Å; I103-R133 HydrophobicContact CD1-CG 4.37Å
104	E	70.7	Confident	68	Low	79 Å²	79	85.3 Å²	85.3	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-68.3	-42.3	178.6	-168.4	-176.9	-178.2	0	0	111.6	N95 D100 R106 L107 M108	N95-E104 PolarHBondContact ND2-OE2 2.94Å; D100-E104 WeakPolarHBondContact O-CB 3.48Å; D100-E104 PolarHBondContact O-N 2.95Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 PolarHBondContact O-N 2.95Å; E104-L107 PolarHBondContact O-N 2.93Å; E104-M108 HydrophobicContact CG-CE 4.48Å; E104-M108 PolarHBondContact O-N 2.8Å
105	H	74.4	Confident	67.2	Low	106 Å²	106	85.4 Å²	85.4	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-58.6	-40.8	172.8	-176.4	-89.9	0	0	0	111.4	V101 M108 M109	V101-H105 WeakPolarHBondContact O-CB 3.48Å; V101-H105 PolarHBondContact O-N 3.49Å; H105-M108 PolarHBondContact O-N 3.31Å; H105-M109 WeakPolarHBondContact NE2-CE 3.44Å; H105-M109 WeakPolarHBondContact O-CB 3.39Å; H105-M109 VanDerWaalsContact O-CG 3.22Å; H105-M109 WeakPolarHBondContact O-CG 3.27Å; H105-M109 PolarHBondContact O-N 2.87Å
106	R	73.1	Confident	66.4	Low	5 Å²	5	89.1 Å²	89.1	2%	0.019	44%	0.436	C	S	.	.	H	α-helix	trans	-64.4	-45.5	174.4	-75.6	166.2	173.2	165.2	-4.8	112	Y102 I103 E104 M109 E110 Y126 E190 G226	Y102-R106 WeakPolarHBondContact O-CB 3.39Å; Y102-R106 WeakPolarHBondContact O-CD 3.4Å; Y102-R106 WeakPolarHBondContact O-CG 3.25Å; Y102-R106 PolarHBondContact O-N 3.31Å; I103-R106 WeakPolarHBondContact O-CB 3.22Å; I103-R106 PolarHBondContact O-N 2.83Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 PolarHBondContact O-N 2.95Å; R106-M109 PolarHBondContact O-N 2.7Å; R106-E110 WeakPolarHBondContact O-CB 3.27Å; R106-E110 PolarHBondContact O-N 2.87Å; R106-Y126 HydrophobicContact CB-CE1 4.04Å; R106-Y126 HydrophobicContact CG-CE1 4Å; R106-E190 IonicContact CZ-OE2 3.91Å; R106-E190 IonicContact NE-OE2 3.77Å; R106-E190 PolarHBondContact NE-OE2 3.29Å; R106-E190 IonicContact NH2-OE2 3.93Å; R106-E190 PolarHBondContact NH2-OE2 3.41Å; R106-G226 PolarHBondContact NH1-O 3.49Å; R106-G226 VanDerWaalsContact NH1-O 3.11Å; R106-G226 VanDerWaalsContact NH2-CA 3.34Å; R106-G226 PolarHBondContact NH2-O 3.42Å
107	L	70.2	Confident	65.2	Low	68 Å²	68	85.8 Å²	85.8	36%	0.356	44%	0.442	S	S	.	.	H	α-helix	trans	-61.5	-42.2	175.6	-80.5	156.3	0	0	0	112.3	I103 E104 E110 Q111 M131	I103-L107 HydrophobicContact CG2-CD1 3.91Å; I103-L107 WeakPolarHBondContact O-CG 3.44Å; I103-L107 PolarHBondContact O-N 2.83Å; E104-L107 PolarHBondContact O-N 2.93Å; L107-E110 PolarHBondContact O-N 2.86Å; L107-Q111 WeakPolarHBondContact O-CG 3.16Å; L107-Q111 PolarHBondContact O-N 3.07Å; L107-M131 HydrophobicContact CD1-CE 3.57Å; L107-M131 HydrophobicContact CD2-CE 3.86Å; L107-M131 HydrophobicContact CG-CE 3.57Å
108	M	70.9	Confident	64.3	Low	92 Å²	92	87.1 Å²	87.1	45%	0.453	45%	0.454	S	S	.	.	H	α-helix	trans	-64.8	-41.7	175.3	-78.4	-155.4	-164.9	0	0	111.9	E104 H105 E110 Q111 R112	E104-M108 HydrophobicContact CG-CE 4.48Å; E104-M108 PolarHBondContact O-N 2.8Å; H105-M108 PolarHBondContact O-N 3.31Å; M108-E110 VanDerWaalsContact C-N 3.31Å; M108-Q111 PolarHBondContact O-N 3.21Å; M108-R112 WeakPolarHBondContact O-CB 3.27Å; M108-R112 WeakPolarHBondContact O-CG 3.37Å; M108-R112 PolarHBondContact O-N 2.96Å
109	M	69.1	Low	62.9	Low	82 Å²	82	87.9 Å²	87.9	40%	0.404	47%	0.469	S	S	.	.	H	α-helix	trans	-65.7	-35.9	174.9	-72.6	-65.6	165.7	0	0	111.7	H105 R106 R112 S113	H105-M109 WeakPolarHBondContact NE2-CE 3.44Å; H105-M109 WeakPolarHBondContact O-CB 3.39Å; H105-M109 VanDerWaalsContact O-CG 3.22Å; H105-M109 WeakPolarHBondContact O-CG 3.27Å; H105-M109 PolarHBondContact O-N 2.87Å; R106-M109 PolarHBondContact O-N 2.7Å; M109-R112 PolarHBondContact O-N 3.06Å; M109-S113 WeakPolarHBondContact O-CB 3.09Å; M109-S113 PolarHBondContact O-N 3.17Å
110	E	67.8	Low	61.8	Low	52 Å²	52	90.7 Å²	90.7	24%	0.243	48%	0.476	C	S	.	.	H	α-helix	trans	-66.4	-43.1	174.5	-165.4	169.8	-152.5	0	0	112.2	R106 L107 M108 S113 R114 Y126	R106-E110 WeakPolarHBondContact O-CB 3.27Å; R106-E110 PolarHBondContact O-N 2.87Å; L107-E110 PolarHBondContact O-N 2.86Å; M108-E110 VanDerWaalsContact C-N 3.31Å; E110-S113 PolarHBondContact O-N 2.9Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-Y126 HydrophobicContact CB-CE2 3.96Å; E110-Y126 HydrophobicContact CG-CD2 4.48Å; E110-Y126 HydrophobicContact CG-CE2 4.03Å; E110-Y126 WeakPolarHBondContact OE2-CD2 3.46Å
111	Q	65.7	Low	60.6	Low	141 Å²	141	92.6 Å²	92.6	66%	0.659	49%	0.489	S	S	*	.	H	α-helix	trans	-65.9	-38.3	175.7	-75.3	178.4	3.2	0	0	112.4	L107 M108 R114	L107-Q111 WeakPolarHBondContact O-CG 3.16Å; L107-Q111 PolarHBondContact O-N 3.07Å; M108-Q111 PolarHBondContact O-N 3.21Å; Q111-R114 WeakPolarHBondContact O-CB 3.47Å; Q111-R114 PolarHBondContact O-N 3.36Å
112	R	65.8	Low	59.6	Low	189 Å²	189	94.3 Å²	94.3	71%	0.713	50%	0.502	S	S	*	.	H	α-helix	trans	-70.5	-32.2	174.8	-76.7	-178.7	-180	178.8	1.5	113	M108 M109 R114	M108-R112 WeakPolarHBondContact O-CB 3.27Å; M108-R112 WeakPolarHBondContact O-CG 3.37Å; M108-R112 PolarHBondContact O-N 2.96Å; M109-R112 PolarHBondContact O-N 3.06Å; R112-R114 VanDerWaalsContact C-N 3.26Å; R112-R114 PolarHBondContact O-N 2.99Å
113	S	57.6	Low	58.4	Low	55 Å²	55	99 Å²	99	39%	0.385	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.2	177.9	-174.8	0	0	0	0	113.5	M109 E110 D115 R120	M109-S113 WeakPolarHBondContact O-CB 3.09Å; M109-S113 PolarHBondContact O-N 3.17Å; E110-S113 PolarHBondContact O-N 2.9Å; S113-D115 PolarHBondContact O-N 3.25Å; S113-R120 VanDerWaalsContact CB-NH2 3.29Å; S113-R120 PolarHBondContact OG-NH2 2.85Å
114	R	55.9	Low	57.6	Low	211 Å²	211	101.1 Å²	101.1	80%	0.796	54%	0.538	S	S	*	.			trans	-77.7	64.7	177.5	-121	-173.9	-174.4	-172.1	1.9	110.6	E110 Q111 R112	E110-R114 PolarHBondContact O-N 2.91Å; Q111-R114 WeakPolarHBondContact O-CB 3.47Å; Q111-R114 PolarHBondContact O-N 3.36Å; R112-R114 VanDerWaalsContact C-N 3.26Å; R112-R114 PolarHBondContact O-N 2.99Å
115	D	46.3	Very low	57.4	Low	120 Å²	120	103.8 Å²	103.8	64%	0.642	55%	0.55	S	S	*	*			trans	-75.8	135.5	166.7	-87.9	-42.2	0	0	0	110.2	S113 G117	S113-D115 PolarHBondContact O-N 3.25Å; D115-G117 PolarHBondContact O-N 2.9Å
116	P	47.2	Very low	57.2	Low	139 Å²	139	100.8 Å²	100.8	90%	0.903	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	22.9	-168	28.4	-34.3	0	0	0	115.8
117	G	40.2	Very low	57.1	Low	72 Å²	72	102.1 Å²	102.1	74%	0.742	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	-13.8	-172.1	0	0	0	0	0	117.3	D115	D115-G117 PolarHBondContact O-N 2.9Å
118	T	46.2	Very low	57.2	Low	111 Å²	111	101 Å²	101	68%	0.681	55%	0.545	S	S	*	.			trans	-117	105.8	-176.1	31.4	0	0	0	0	111	R120	T118-R120 PolarHBondContact O-N 3.39Å
119	A	41.3	Very low	57.3	Low	108 Å²	108	98.2 Å²	98.2	89%	0.893	53%	0.531	S	S	*	.			trans	-62.4	107.9	167.4	0	0	0	0	0	108.7
120	R	48.3	Very low	57.7	Low	117 Å²	117	94.7 Å²	94.7	44%	0.442	51%	0.514	S	S	.	.			trans	-57.3	142.5	171.8	-83.6	-178.8	166.6	-172.3	-5.6	109.6	S113 T118	S113-R120 VanDerWaalsContact CB-NH2 3.29Å; S113-R120 PolarHBondContact OG-NH2 2.85Å; T118-R120 PolarHBondContact O-N 3.39Å
121	S	44.5	Very low	57.9	Low	41 Å²	41	94 Å²	94	29%	0.287	51%	0.511	S	S	.	.			trans	-59.8	132.3	164.8	32.5	0	0	0	0	109	Q123 N124	S121-Q123 PolarHBondContact O-N 3.36Å; S121-N124 PolarHBondContact O-N 3.44Å
122	P	51	Low	58.4	Low	117 Å²	117	88.7 Å²	88.7	76%	0.76	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-60.7	-5.7	-177.5	21	-31.9	0	0	0	114.2
123	Q	49	Very low	58.9	Low	161 Å²	161	83.6 Å²	83.6	75%	0.752	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-82.6	-19.3	-178.2	-134.8	144.3	21.1	0	0	114	S121	S121-Q123 PolarHBondContact O-N 3.36Å
124	N	55.3	Low	60.2	Low	57 Å²	57	81.9 Å²	81.9	31%	0.305	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-103.9	11	176.9	-82.2	4.8	0	0	0	113	S121	S121-N124 PolarHBondContact O-N 3.44Å
125	Q	66	Low	61.6	Low	135 Å²	135	73.7 Å²	73.7	63%	0.631	42%	0.422	S	S	*	.	S	Bend	trans	-76.8	132.5	174.6	-166.3	161.1	19.9	0	0	109.6	P127	Q125-P127 WeakPolarHBondContact O-CD 3.11Å
126	Y	70	Confident	63.6	Low	43 Å²	43	68.9 Å²	68.9	17%	0.169	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-58.6	123.2	178.7	-61	-79.3	0	0	0	109.6	R106 E110 A128 Y192	R106-Y126 HydrophobicContact CB-CE1 4.04Å; R106-Y126 HydrophobicContact CG-CE1 4Å; E110-Y126 HydrophobicContact CB-CE2 3.96Å; E110-Y126 HydrophobicContact CG-CD2 4.48Å; E110-Y126 HydrophobicContact CG-CE2 4.03Å; E110-Y126 WeakPolarHBondContact OE2-CD2 3.46Å; Y126-A128 PolarHBondContact O-N 2.89Å; Y126-Y192 HydrophobicContact CD1-CE1 4.45Å; Y126-Y192 AromaticContact CD1-CE2 3.64Å; Y126-Y192 HydrophobicContact CD1-CE2 3.64Å; Y126-Y192 AromaticContact CD1-CZ 3.65Å; Y126-Y192 AromaticContact CE1-CE2 3.87Å; Y126-Y192 HydrophobicContact CE1-CE2 3.87Å; Y126-Y192 AromaticContact CE1-CZ 3.66Å; Y126-Y192 WeakPolarHBondContact CE1-OH 3.5Å
127	P	71.7	Confident	65.6	Low	33 Å²	33	63 Å²	63	21%	0.214	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-64.1	133.4	176.3	23.8	-30.5	0	0	0	109.2	Q125 E129 L130 V179 Y192	Q125-P127 WeakPolarHBondContact O-CD 3.11Å; P127-E129 PolarHBondContact O-N 3.34Å; P127-L130 HydrophobicContact CG-CB 4.07Å; P127-L130 WeakPolarHBondContact O-CB 3.49Å; P127-L130 PolarHBondContact O-N 2.78Å; P127-V179 HydrophobicContact CG-CG1 4.32Å; P127-Y192 HydrophobicContact CG-CG 4.29Å
128	A	71.8	Confident	67.9	Low	44 Å²	44	59.5 Å²	59.5	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-54.1	-32.1	178.8	0	0	0	0	0	112	Y126 L130 M131 R132	Y126-A128 PolarHBondContact O-N 2.89Å; A128-L130 PolarHBondContact O-N 2.94Å; A128-M131 PolarHBondContact O-N 2.84Å; A128-R132 VanDerWaalsContact O-CG 3.27Å; A128-R132 WeakPolarHBondContact O-CG 3.44Å; A128-R132 PolarHBondContact O-N 3.43Å
129	E	73.3	Confident	69.7	Low	35 Å²	35	56.4 Å²	56.4	16%	0.164	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-28.5	177.1	-65	177.5	-174.1	0	0	114.3	K75 P127 V179 K228	K75-E129 IonicContact NZ-OE1 3.68Å; P127-E129 PolarHBondContact O-N 3.34Å; E129-V179 HydrophobicContact CB-CG2 4.2Å; E129-K228 WeakPolarHBondContact O-CD 3.08Å; E129-K228 PolarHBondContact O-NZ 3.02Å
130	L	76.4	Confident	71.4	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-78.2	-33.1	176.8	-179.5	133.8	0	0	0	111.9	P127 A128 V179 T181 Y192	P127-L130 HydrophobicContact CG-CB 4.07Å; P127-L130 WeakPolarHBondContact O-CB 3.49Å; P127-L130 PolarHBondContact O-N 2.78Å; A128-L130 PolarHBondContact O-N 2.94Å; L130-V179 HydrophobicContact CB-CB 4.49Å; L130-V179 HydrophobicContact CB-CG1 4.35Å; L130-V179 HydrophobicContact CB-CG2 4.26Å; L130-V179 HydrophobicContact CD1-CB 4.2Å; L130-V179 HydrophobicContact CD1-CG1 3.7Å; L130-T181 HydrophobicContact CD1-CG2 3.7Å; L130-Y192 HydrophobicContact CD1-CD1 3.75Å; L130-Y192 HydrophobicContact CD1-CE1 4.02Å
131	M	72.9	Confident	72.8	Confident	38 Å²	38	46.6 Å²	46.6	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-84.6	-22.8	179.2	-60	-65.1	-80.7	0	0	112.7	I103 L107 A128 R133	I103-M131 HydrophobicContact CB-SD 4.47Å; I103-M131 HydrophobicContact CG1-SD 4.16Å; I103-M131 HydrophobicContact CG2-CE 3.59Å; I103-M131 HydrophobicContact CG2-SD 3.85Å; L107-M131 HydrophobicContact CD1-CE 3.57Å; L107-M131 HydrophobicContact CD2-CE 3.86Å; L107-M131 HydrophobicContact CG-CE 3.57Å; A128-M131 PolarHBondContact O-N 2.84Å; M131-R133 PolarHBondContact O-N 3.44Å
132	R	75.2	Confident	74.4	Confident	28 Å²	28	49.4 Å²	49.4	11%	0.106	26%	0.262	C	S	.	.			trans	-62.8	123.6	176.7	-77.8	174.2	-166.4	-176.9	0.1	110	D79 A128 F134 K228	D79-R132 IonicContact OD1-CZ 2.75Å; D79-R132 IonicContact OD1-NH2 2.95Å; D79-R132 PolarHBondContact OD1-NH2 3.33Å; D79-R132 IonicContact OD2-NH2 2.87Å; A128-R132 VanDerWaalsContact O-CG 3.27Å; A128-R132 WeakPolarHBondContact O-CG 3.44Å; A128-R132 PolarHBondContact O-N 3.43Å; R132-F134 HydrophobicContact CG-CE1 4.43Å; R132-K228 WeakPolarHBondContact O-CE 3.3Å; R132-K228 PolarHBondContact O-NZ 3.13Å
133	R	76.6	Confident	75.3	Confident	82 Å²	82	48.8 Å²	48.8	31%	0.309	26%	0.26	S	S	.	.			trans	-111.8	-14.4	174.2	-76.8	-174.9	145.2	-127.3	-1.6	114.1	D97 L99 D100 I103 M131	D97-R133 IonicContact OD2-NH2 2.82Å; L99-R133 VanDerWaalsContact CB-NH2 3.26Å; D100-R133 WeakPolarHBondContact OD1-CD 3.49Å; D100-R133 IonicContact OD1-CZ 3.65Å; D100-R133 IonicContact OD1-NE 3.92Å; D100-R133 PolarHBondContact OD1-NE 3.2Å; D100-R133 IonicContact OD1-NH1 3.82Å; D100-R133 PolarHBondContact OD1-NH1 2.88Å; D100-R133 IonicContact OD1-NH2 3.89Å; D100-R133 PolarHBondContact OD1-NH2 3.23Å; D100-R133 VanDerWaalsContact OD1-NH2 3.13Å; D100-R133 IonicContact OD2-CZ 3.62Å; D100-R133 VanDerWaalsContact OD2-CZ 3.22Å; D100-R133 IonicContact OD2-NH1 3.75Å; D100-R133 PolarHBondContact OD2-NH1 2.85Å; D100-R133 IonicContact OD2-NH2 3.5Å; D100-R133 PolarHBondContact OD2-NH2 3.43Å; I103-R133 HydrophobicContact CD1-CG 4.37Å; M131-R133 PolarHBondContact O-N 3.44Å
134	F	85.3	Confident	76.6	Confident	19 Å²	19	44.4 Å²	44.4	8%	0.083	24%	0.242	C	C	.	.			trans	-95.8	159.7	173	69.7	-84.9	0	0	0	109.7	L40 V46 A78 V81 Q82 L85 R132	L40-F134 HydrophobicContact CD2-CB 3.8Å; V46-F134 CarbonylContact O-C 3.51Å; V46-F134 WeakPolarHBondContact O-CA 3.32Å; V46-F134 WeakPolarHBondContact O-CB 3.43Å; A78-F134 HydrophobicContact CB-CE2 4.44Å; A78-F134 WeakPolarHBondContact O-CZ 3.49Å; V81-F134 HydrophobicContact CB-CE2 3.79Å; V81-F134 HydrophobicContact CB-CZ 3.66Å; V81-F134 HydrophobicContact CG1-CD1 4.47Å; V81-F134 HydrophobicContact CG1-CD2 4.13Å; V81-F134 HydrophobicContact CG1-CE1 3.92Å; V81-F134 HydrophobicContact CG1-CE2 3.52Å; V81-F134 HydrophobicContact CG1-CZ 3.4Å; V81-F134 VanDerWaalsContact CG1-CZ 3.4Å; Q82-F134 HydrophobicContact CB-CE1 4.46Å; Q82-F134 HydrophobicContact CB-CZ 4.43Å; L85-F134 HydrophobicContact CD1-CD1 3.72Å; L85-F134 HydrophobicContact CD1-CE1 3.51Å; R132-F134 HydrophobicContact CG-CE1 4.43Å
135	E	86	Confident	77.7	Confident	40 Å²	40	49.9 Å²	49.9	19%	0.187	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.7	170.3	56.7	-166.7	176.1	0	0	109.1	V46 A47 L48 Y137 G259 E260	V46-E135 HydrophobicContact CG1-CG 4.45Å; V46-E135 PolarHBondContact O-N 2.69Å; A47-E135 HydrophobicContact CB-CG 4.07Å; L48-E135 PolarHBondContact N-O 3.02Å; E135-Y137 HydrophobicContact CB-CE2 4.43Å; E135-Y137 HydrophobicContact CG-CD2 4.43Å; E135-Y137 HydrophobicContact CG-CE2 3.6Å; E135-Y137 PolarHBondContact OE1-OH 3.29Å; E135-Y137 PolarHBondContact OE2-OH 2.69Å; E135-Y137 VanDerWaalsContact OE2-OH 3.1Å; E135-G259 WeakPolarHBondContact OE2-CA 3.19Å; E135-E260 WeakPolarHBondContact OE1-CA 3.46Å; E135-E260 WeakPolarHBondContact OE1-CB 3.43Å; E135-E260 PolarHBondContact OE1-N 3.39Å
136	L	87.8	Confident	78.5	Confident	19 Å²	19	45.8 Å²	45.8	10%	0.099	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.4	-174.5	-168.8	150	0	0	0	109.2	L48 V50 F77 V81 F138	L48-L136 HydrophobicContact CD2-CD1 3.87Å; L48-L136 HydrophobicContact CD2-CG 4.02Å; L48-L136 WeakPolarHBondContact O-CA 3.41Å; V50-L136 HydrophobicContact CG2-CD1 4.07Å; V50-L136 HydrophobicContact CG2-CD2 3.98Å; V50-L136 HydrophobicContact CG2-CG 4.03Å; F77-L136 HydrophobicContact CB-CD1 3.63Å; F77-L136 HydrophobicContact CB-CD2 4.21Å; F77-L136 HydrophobicContact CD1-CD1 4.45Å; F77-L136 HydrophobicContact CG-CD1 4.49Å; V81-L136 HydrophobicContact CG2-CD1 4.24Å; L136-F138 HydrophobicContact CD2-CD1 4.29Å; L136-F138 HydrophobicContact CD2-CE1 3.93Å; L136-F138 HydrophobicContact CD2-CE2 4.35Å; L136-F138 HydrophobicContact CD2-CZ 3.96Å
137	Y	89.9	Confident	79.3	Confident	14 Å²	14	50.2 Å²	50.2	6%	0.055	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.3	178.4	-60.9	-62.5	0	0	0	110	A47 L48 Y49 V50 E135 E258 G259 E260 N261 H301	A47-Y137 HydrophobicContact CB-CD2 3.89Å; A47-Y137 HydrophobicContact CB-CE2 3.72Å; L48-Y137 PolarHBondContact O-N 2.99Å; Y49-Y137 WeakPolarHBondContact CA-O 3.24Å; Y49-Y137 HydrophobicContact CD1-CD2 4.12Å; Y49-Y137 HydrophobicContact CD1-CG 4.33Å; Y49-Y137 AromaticContact CE1-CD2 3.57Å; Y49-Y137 HydrophobicContact CE1-CD2 3.57Å; Y49-Y137 HydrophobicContact CE1-CE2 4.46Å; Y49-Y137 HydrophobicContact CE1-CG 4.01Å; V50-Y137 PolarHBondContact N-O 3.33Å; E135-Y137 HydrophobicContact CB-CE2 4.43Å; E135-Y137 HydrophobicContact CG-CD2 4.43Å; E135-Y137 HydrophobicContact CG-CE2 3.6Å; E135-Y137 PolarHBondContact OE1-OH 3.29Å; E135-Y137 PolarHBondContact OE2-OH 2.69Å; E135-Y137 VanDerWaalsContact OE2-OH 3.1Å; Y137-E258 PolarHBondContact OH-O 3.49Å; Y137-G259 WeakPolarHBondContact OH-CA 3.22Å; Y137-E260 PolarHBondContact OH-N 2.96Å; Y137-N261 WeakPolarHBondContact CE1-ND2 3.38Å; Y137-H301 VanDerWaalsContact CB-O 3.27Å; Y137-H301 WeakPolarHBondContact CB-O 3.46Å; Y137-H301 HydrophobicContact CD1-CB 4.18Å; Y137-H301 AromaticContact CD1-ND1 3.93Å; Y137-H301 WeakPolarHBondContact CD1-O 3.39Å; Y137-H301 VanDerWaalsContact CG-O 3.28Å
138	F	88.1	Confident	80	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.4	171.2	-66.3	-63.4	0	0	0	109.6	V50 L52 I66 A74 F77 L136 L160	V50-F138 HydrophobicContact CB-CD1 4.06Å; V50-F138 HydrophobicContact CB-CE1 4.33Å; V50-F138 HydrophobicContact CG1-CD1 4.45Å; L52-F138 HydrophobicContact CD1-CB 4.23Å; L52-F138 HydrophobicContact CD2-CD1 3.9Å; L52-F138 HydrophobicContact CD2-CE1 4.39Å; L52-F138 HydrophobicContact CG-CB 4.45Å; L52-F138 HydrophobicContact CG-CD1 4.38Å; I66-F138 HydrophobicContact CG2-CD2 4.44Å; I66-F138 HydrophobicContact CG2-CE1 4.35Å; I66-F138 HydrophobicContact CG2-CE2 4.24Å; I66-F138 HydrophobicContact CG2-CZ 4.21Å; A74-F138 HydrophobicContact CB-CE2 3.78Å; A74-F138 HydrophobicContact CB-CZ 4.49Å; F77-F138 HydrophobicContact CD1-CE1 4.48Å; F77-F138 HydrophobicContact CD2-CE1 4.21Å; F77-F138 AromaticContact CD2-CZ 3.97Å; F77-F138 HydrophobicContact CD2-CZ 3.97Å; F77-F138 HydrophobicContact CE2-CE1 4.28Å; F77-F138 HydrophobicContact CE2-CZ 4.33Å; F77-F138 HydrophobicContact CG-CE1 4.3Å; F77-F138 HydrophobicContact CG-CZ 4.24Å; F77-F138 HydrophobicContact CZ-CE1 4.45Å; L136-F138 HydrophobicContact CD2-CD1 4.29Å; L136-F138 HydrophobicContact CD2-CE1 3.93Å; L136-F138 HydrophobicContact CD2-CE2 4.35Å; L136-F138 HydrophobicContact CD2-CZ 3.96Å; F138-L160 HydrophobicContact CB-CD2 4.12Å
139	Q	83.1	Confident	80.7	Confident	46 Å²	46	48.7 Å²	48.7	22%	0.215	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.4	159.9	171.5	171.8	-8.6	0	0	107.6	V50 D51 L52	V50-Q139 PolarHBondContact O-N 3.33Å; D51-Q139 VanDerWaalsContact CG-OE1 3.28Å; D51-Q139 VanDerWaalsContact OD1-CB 3.25Å; D51-Q139 WeakPolarHBondContact OD1-CB 3.12Å; D51-Q139 PolarHBondContact OD1-OE1 2.9Å; L52-Q139 WeakPolarHBondContact CB-O 3.41Å; L52-Q139 WeakPolarHBondContact CG-O 3.49Å; L52-Q139 PolarHBondContact N-O 3.47Å
140	G	77.1	Confident	81.4	Confident	10 Å²	10	49.7 Å²	49.7	10%	0.103	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-59.3	145	178.1	0	0	0	0	0	110.8
141	P	78.9	Confident	81.9	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.058	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.4	144.3	-179.4	27.4	-31.7	0	0	0	110.2	L52 D53 V63 S143 N144	L52-P141 HydrophobicContact CB-CB 4.02Å; L52-P141 HydrophobicContact CB-CG 4.3Å; D53-P141 WeakPolarHBondContact OD1-CA 3.23Å; D53-P141 WeakPolarHBondContact OD1-CB 3.49Å; V63-P141 HydrophobicContact CG1-CG 4.39Å; P141-S143 PolarHBondContact O-N 3.23Å; P141-N144 HydrophobicContact CG-CB 4.03Å; P141-N144 WeakPolarHBondContact CG-ND2 3.41Å; P141-N144 WeakPolarHBondContact O-CB 3.27Å; P141-N144 PolarHBondContact O-N 3.02Å
142	S	76.3	Confident	82.5	Confident	99 Å²	99	53.1 Å²	53.1	69%	0.692	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.2	178.1	-65	0	0	0	0	112.5	D53 N144	D53-S142 VanDerWaalsContact CG-N 3.32Å; D53-S142 PolarHBondContact OD1-N 3.3Å; D53-S142 WeakPolarHBondContact OD2-CB 3.18Å; D53-S142 PolarHBondContact OD2-N 3.21Å; D53-S142 PolarHBondContact OD2-OG 3.38Å; S142-N144 PolarHBondContact O-N 2.87Å
143	S	70.7	Confident	83	Confident	104 Å²	104	60.3 Å²	60.3	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.7	171.8	-175.1	0	0	0	0	112.8	P141 K145	P141-S143 PolarHBondContact O-N 3.23Å; S143-K145 PolarHBondContact O-N 3.13Å; S143-K145 VanDerWaalsContact O-N 3.09Å
144	N	76.3	Confident	83.4	Confident	70 Å²	70	60.3 Å²	60.3	37%	0.374	31%	0.313	S	S	.	.	S	Bend	trans	-78.9	102.8	-178.3	-87.5	-20.4	0	0	0	111.1	P141 S142	P141-N144 HydrophobicContact CG-CB 4.03Å; P141-N144 WeakPolarHBondContact CG-ND2 3.41Å; P141-N144 WeakPolarHBondContact O-CB 3.27Å; P141-N144 PolarHBondContact O-N 3.02Å; S142-N144 PolarHBondContact O-N 2.87Å
145	K	79.2	Confident	83.4	Confident	172 Å²	172	65.3 Å²	65.3	75%	0.748	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-58.5	135.6	172.6	-68.3	-175.4	-177.6	-178.8	0	110.7	S143 R147	S143-K145 PolarHBondContact O-N 3.13Å; S143-K145 VanDerWaalsContact O-N 3.09Å; K145-R147 PolarHBondContact O-N 2.93Å
146	P	82.1	Confident	83.3	Confident	49 Å²	49	64.8 Å²	64.8	32%	0.318	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-56.8	128.5	174.2	29.2	-40.6	0	0	0	110.6	T162 R164	P146-T162 WeakPolarHBondContact CA-OG1 3.46Å; P146-R164 HydrophobicContact CB-CG 3.72Å
147	R	86.1	Confident	83.4	Confident	136 Å²	136	67 Å²	67	51%	0.513	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	149.3	175.5	-65.2	-69.5	-178.7	170.3	-0.4	110.7	K145 E151 T162 V163 R164	K145-R147 PolarHBondContact O-N 2.93Å; R147-E151 WeakPolarHBondContact CD-OE2 3.39Å; R147-E151 IonicContact CZ-OE2 2.69Å; R147-E151 IonicContact NE-OE2 2.7Å; R147-E151 IonicContact NH1-OE2 2.75Å; R147-E151 PolarHBondContact NH1-OE2 3.02Å; R147-T162 PolarHBondContact N-O 2.58Å; R147-V163 WeakPolarHBondContact O-CA 3.17Å; R147-R164 PolarHBondContact O-N 3Å
148	V	86.1	Confident	83.2	Confident	30 Å²	30	67.1 Å²	67.1	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	148.2	167.5	-52.3	0	0	0	0	108.9	R150 E151 Q243	V148-R150 HydrophobicContact CG2-CB 4.07Å; V148-R150 PolarHBondContact O-N 3.4Å; V148-E151 HydrophobicContact CG2-CB 3.82Å; V148-E151 HydrophobicContact CG2-CG 3.51Å; V148-E151 PolarHBondContact O-N 3.15Å; V148-Q243 HydrophobicContact CG1-CB 4.44Å; V148-Q243 HydrophobicContact CG1-CG 4.37Å
149	I	87.6	Confident	83.2	Confident	14 Å²	14	70.7 Å²	70.7	7%	0.072	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-54.6	-33.9	-178.1	-56.2	173.8	0	0	0	111.1	E151 V152 M237 E239 I253	I149-E151 VanDerWaalsContact C-N 3.32Å; I149-E151 PolarHBondContact O-N 2.91Å; I149-V152 WeakPolarHBondContact O-CB 3.35Å; I149-V152 PolarHBondContact O-N 2.89Å; I149-M237 HydrophobicContact CD1-CE 3.58Å; I149-M237 HydrophobicContact CD1-CG 4.3Å; I149-M237 HydrophobicContact CG1-CE 3.7Å; I149-E239 HydrophobicContact CB-CG 3.65Å; I149-E239 HydrophobicContact CD1-CG 4.01Å; I149-E239 HydrophobicContact CG1-CG 4.14Å; I149-E239 HydrophobicContact CG2-CG 4.45Å; I149-I253 HydrophobicContact CD1-CG2 3.9Å; I149-I253 HydrophobicContact CG1-CG2 4.31Å; I149-I253 HydrophobicContact CG2-CB 3.96Å; I149-I253 HydrophobicContact CG2-CG2 4.1Å
150	R	87.2	Confident	83.5	Confident	56 Å²	56	69 Å²	69	21%	0.211	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-62.9	-33	177	-164.3	168.5	-68.2	-141	-0.4	114.8	V148 V152 E239 N248 I249	V148-R150 HydrophobicContact CG2-CB 4.07Å; V148-R150 PolarHBondContact O-N 3.4Å; R150-V152 VanDerWaalsContact C-N 3.26Å; R150-E239 VanDerWaalsContact CA-OE1 3.29Å; R150-E239 WeakPolarHBondContact CA-OE1 3.42Å; R150-E239 VanDerWaalsContact CB-OE1 3.22Å; R150-E239 WeakPolarHBondContact CB-OE1 3.17Å; R150-E239 IonicContact CZ-OE2 3.83Å; R150-E239 PolarHBondContact N-OE1 2.82Å; R150-E239 IonicContact NE-OE1 3.55Å; R150-E239 IonicContact NE-OE2 2.96Å; R150-E239 PolarHBondContact NE-OE2 2.91Å; R150-E239 IonicContact NH2-OE2 3.7Å; R150-E239 PolarHBondContact NH2-OE2 3.43Å; R150-E239 VanDerWaalsContact NH2-OE2 3.08Å; R150-N248 PolarHBondContact NH1-ND2 3.37Å; R150-N248 VanDerWaalsContact NH1-ND2 3.15Å; R150-I249 PolarHBondContact NH2-O 3.31Å
151	E	87.3	Confident	84.1	Confident	94 Å²	94	69.2 Å²	69.2	44%	0.439	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-77.5	-15.7	-178.1	-82.1	179	-159.4	0	0	112.3	R147 V148 I149 R153	R147-E151 WeakPolarHBondContact CD-OE2 3.39Å; R147-E151 IonicContact CZ-OE2 2.69Å; R147-E151 IonicContact NE-OE2 2.7Å; R147-E151 IonicContact NH1-OE2 2.75Å; R147-E151 PolarHBondContact NH1-OE2 3.02Å; V148-E151 HydrophobicContact CG2-CB 3.82Å; V148-E151 HydrophobicContact CG2-CG 3.51Å; V148-E151 PolarHBondContact O-N 3.15Å; I149-E151 VanDerWaalsContact C-N 3.32Å; I149-E151 PolarHBondContact O-N 2.91Å; E151-R153 PolarHBondContact O-N 3.34Å
152	V	86.3	Confident	84.6	Confident	24 Å²	24	69.6 Å²	69.6	15%	0.145	37%	0.371	C	S	.	.			trans	-70	103.8	176	-173.5	0	0	0	0	108.9	I149 R150 V163 F277	I149-V152 WeakPolarHBondContact O-CB 3.35Å; I149-V152 PolarHBondContact O-N 2.89Å; R150-V152 VanDerWaalsContact C-N 3.26Å; V152-V163 HydrophobicContact CG2-CG1 3.73Å; V152-F277 HydrophobicContact CG1-CB 4.48Å; V152-F277 HydrophobicContact CG1-CD1 3.85Å; V152-F277 HydrophobicContact CG1-CD2 3.94Å; V152-F277 HydrophobicContact CG1-CE1 3.95Å; V152-F277 HydrophobicContact CG1-CE2 4.02Å; V152-F277 HydrophobicContact CG1-CG 3.84Å; V152-F277 HydrophobicContact CG1-CZ 4.01Å
153	R	85.3	Confident	85.3	Confident	179 Å²	179	65 Å²	65	68%	0.675	34%	0.338	S	S	*	.			trans	-105.7	176.4	179	-67	-176.9	-177.6	-164.3	2.1	111.1	E151 D155 S156	E151-R153 PolarHBondContact O-N 3.34Å; R153-D155 PolarHBondContact O-N 2.94Å; R153-D155 VanDerWaalsContact O-N 3.14Å; R153-S156 WeakPolarHBondContact O-CB 3.1Å; R153-S156 PolarHBondContact O-N 3.1Å
154	A	84.3	Confident	86.2	Confident	82 Å²	82	63.3 Å²	63.3	68%	0.678	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-54.6	-30.4	176	0	0	0	0	0	113.4	S156 V157	A154-S156 PolarHBondContact O-N 2.85Å; A154-S156 VanDerWaalsContact O-N 3.11Å; A154-V157 WeakPolarHBondContact O-CB 3.06Å; A154-V157 VanDerWaalsContact O-CG2 3.29Å; A154-V157 WeakPolarHBondContact O-CG2 3.49Å; A154-V157 PolarHBondContact O-N 3.22Å; A154-V157 VanDerWaalsContact O-N 3.16Å
155	D	86.4	Confident	86.7	Confident	125 Å²	125	60.2 Å²	60.2	67%	0.668	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.6	-14.1	178.4	-50.4	-33.4	0	0	0	113.7	R153 K159	R153-D155 PolarHBondContact O-N 2.94Å; R153-D155 VanDerWaalsContact O-N 3.14Å; D155-K159 VanDerWaalsContact O-CE 3.23Å; D155-K159 WeakPolarHBondContact O-CE 3.15Å
156	S	84.3	Confident	87.1	Confident	28 Å²	28	53.7 Å²	53.7	20%	0.196	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-97.8	3.4	-179.9	-54.3	0	0	0	0	113.2	R153 A154 G158 K159	R153-S156 WeakPolarHBondContact O-CB 3.1Å; R153-S156 PolarHBondContact O-N 3.1Å; A154-S156 PolarHBondContact O-N 2.85Å; A154-S156 VanDerWaalsContact O-N 3.11Å; S156-G158 PolarHBondContact O-N 2.72Å; S156-K159 PolarHBondContact O-N 3.17Å; S156-K159 VanDerWaalsContact O-N 3.15Å
157	V	88.4	Confident	87.4	Confident	66 Å²	66	51.4 Å²	51.4	40%	0.4	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	126	176.8	174.8	0	0	0	0	110	A154 K159 F277 P279	A154-V157 WeakPolarHBondContact O-CB 3.06Å; A154-V157 VanDerWaalsContact O-CG2 3.29Å; A154-V157 WeakPolarHBondContact O-CG2 3.49Å; A154-V157 PolarHBondContact O-N 3.22Å; A154-V157 VanDerWaalsContact O-N 3.16Å; V157-K159 VanDerWaalsContact C-N 3.27Å; V157-K159 PolarHBondContact O-N 2.99Å; V157-F277 HydrophobicContact CG2-CD1 3.83Å; V157-F277 HydrophobicContact CG2-CE1 3.87Å; V157-P279 HydrophobicContact CG1-CG 4.43Å
158	G	86.3	Confident	87.2	Confident	16 Å²	16	46.6 Å²	46.6	17%	0.165	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-8	-177.1	0	0	0	0	0	114.8	S156 F277	S156-G158 PolarHBondContact O-N 2.72Å; G158-F277 PolarHBondContact N-O 3.09Å
159	K	88.1	Confident	87	Confident	76 Å²	76	50.6 Å²	50.6	33%	0.33	26%	0.256	S	S	.	.	S	Bend	trans	-86	152.9	179.1	-58.4	-165.6	179.6	-179.7	0	112.2	C67 D155 S156 V157 V161 F277	C67-K159 WeakPolarHBondContact O-CA 3.34Å; C67-K159 VanDerWaalsContact O-CB 3.22Å; C67-K159 WeakPolarHBondContact O-CB 3.47Å; D155-K159 VanDerWaalsContact O-CE 3.23Å; D155-K159 WeakPolarHBondContact O-CE 3.15Å; S156-K159 PolarHBondContact O-N 3.17Å; S156-K159 VanDerWaalsContact O-N 3.15Å; V157-K159 VanDerWaalsContact C-N 3.27Å; V157-K159 PolarHBondContact O-N 2.99Å; K159-V161 HydrophobicContact CB-CG1 4.5Å; K159-V161 PolarHBondContact O-N 2.89Å; K159-F277 PolarHBondContact O-N 2.99Å
160	L	89.1	Confident	86.9	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.052	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.7	169.3	-167	73.5	0	0	0	109.1	L52 C67 A70 F138 T274 I276	L52-L160 HydrophobicContact CD1-CD2 3.43Å; L52-L160 VanDerWaalsContact CD1-CD2 3.43Å; C67-L160 PolarHBondContact O-N 2.65Å; C67-L160 VanDerWaalsContact O-N 3.12Å; A70-L160 HydrophobicContact CB-CB 4.09Å; A70-L160 HydrophobicContact CB-CD1 4.36Å; F138-L160 HydrophobicContact CB-CD2 4.12Å; L160-T274 HydrophobicContact CD1-CG2 4.02Å; L160-T274 HydrophobicContact CD2-CG2 4.12Å; L160-T274 HydrophobicContact CG-CG2 3.96Å; L160-I276 HydrophobicContact CD1-CG1 4.04Å
161	V	90.3	Very high	86.8	Confident	15 Å²	15	50.3 Å²	50.3	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.7	-179.4	-65	0	0	0	0	110.8	K159 V163 G275 F277 L298	K159-V161 HydrophobicContact CB-CG1 4.5Å; K159-V161 PolarHBondContact O-N 2.89Å; V161-V163 HydrophobicContact CG2-CG1 4.35Å; V161-G275 PolarHBondContact N-O 2.95Å; V161-G275 PolarHBondContact O-N 3.11Å; V161-G275 VanDerWaalsContact O-O 3.12Å; V161-F277 HydrophobicContact CG2-CB 4.16Å; V161-L298 HydrophobicContact CG2-CD1 3.64Å
162	T	90	Very high	86.6	Confident	17 Å²	17	53.8 Å²	53.8	10%	0.104	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.7	170.1	47.9	0	0	0	0	107.8	P146 R147 V273 T274	P146-T162 WeakPolarHBondContact CA-OG1 3.46Å; R147-T162 PolarHBondContact N-O 2.58Å; T162-V273 WeakPolarHBondContact CA-O 3.48Å; T162-T274 HydrophobicContact CG2-CG2 3.83Å; T162-T274 WeakPolarHBondContact CG2-OG1 3.28Å
163	V	89.9	Confident	86.7	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.2	178	-66.9	0	0	0	0	111	R147 V152 V161 M237 S272 V273 L298	R147-V163 WeakPolarHBondContact O-CA 3.17Å; V152-V163 HydrophobicContact CG2-CG1 3.73Å; V161-V163 HydrophobicContact CG2-CG1 4.35Å; V163-M237 HydrophobicContact CB-CE 3.81Å; V163-M237 HydrophobicContact CG2-CE 3.54Å; V163-S272 WeakPolarHBondContact O-CA 3.4Å; V163-V273 HydrophobicContact CG2-CB 4.24Å; V163-V273 PolarHBondContact N-O 3.39Å; V163-V273 PolarHBondContact O-N 3.13Å; V163-L298 HydrophobicContact CG2-CD2 3.4Å
164	R	88.9	Confident	86.9	Confident	69 Å²	69	49.1 Å²	49.1	26%	0.26	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.4	173	-72.6	179.6	-178.1	-172.1	-1.3	110.8	P146 R147 M237 M306 E310	P146-R164 HydrophobicContact CB-CG 3.72Å; R147-R164 PolarHBondContact O-N 3Å; R164-M237 WeakPolarHBondContact O-CE 2.96Å; R164-M306 HydrophobicContact CG-SD 4.07Å; R164-M306 PolarHBondContact NE-SD 3.43Å; R164-M306 VanDerWaalsContact NE-SD 3.37Å; R164-E310 IonicContact CZ-OE1 2.99Å; R164-E310 IonicContact NH1-OE1 3.47Å; R164-E310 PolarHBondContact NH1-OE1 3.4Å; R164-E310 IonicContact NH2-OE1 3.62Å; R164-E310 PolarHBondContact NH2-OE1 2.89Å
165	G	87.6	Confident	87.1	Confident	5 Å²	5	50 Å²	50	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-179	174.1	0	0	0	0	0	113.3	Q238 V271	G165-Q238 CarbonylContact C-O 3.54Å; G165-Q238 WeakPolarHBondContact CA-O 3.24Å; G165-V271 PolarHBondContact N-O 3.4Å; G165-V271 PolarHBondContact O-N 3.42Å; G165-V271 VanDerWaalsContact O-O 3.08Å
166	I	87.5	Confident	87.2	Confident	35 Å²	35	47.2 Å²	47.2	18%	0.179	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.5	-179.6	-58.3	170.2	0	0	0	107.8	T168 M237 Q238	I166-T168 PolarHBondContact O-N 2.72Å; I166-M237 CarbonylContact O-C 3.57Å; I166-M237 WeakPolarHBondContact O-CA 3.37Å; I166-Q238 PolarHBondContact N-O 2.97Å; I166-Q238 PolarHBondContact O-N 2.66Å
167	V	88	Confident	87.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	119.5	173.7	-175.9	0	0	0	0	108.8	V170 A265 G268 D269 V271	V167-V170 HydrophobicContact CG1-CG2 3.26Å; V167-A265 HydrophobicContact CG2-CB 4.04Å; V167-G268 PolarHBondContact O-N 3.43Å; V167-D269 PolarHBondContact N-O 3.02Å; V167-V271 HydrophobicContact CG2-CB 4.23Å; V167-V271 HydrophobicContact CG2-CG1 3.82Å; V167-V271 HydrophobicContact CG2-CG2 3.33Å
168	T	82.5	Confident	87.4	Confident	36 Å²	36	45.2 Å²	45.2	22%	0.221	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-46.2	177.8	52.7	0	0	0	0	111	I166 K236 Q238	I166-T168 PolarHBondContact O-N 2.72Å; T168-K236 PolarHBondContact N-O 3.12Å; T168-K236 PolarHBondContact OG1-O 3.16Å; T168-Q238 HydrophobicContact CG2-CB 3.55Å; T168-Q238 HydrophobicContact CG2-CG 4.45Å
169	R	81.9	Confident	87.5	Confident	114 Å²	114	44.4 Å²	44.4	43%	0.43	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.2	-173.7	-61.6	-176.4	-177.4	162.6	3.3	110.2	M235 K236 E430	R169-M235 CarbonylContact O-C 3.58Å; R169-M235 VanDerWaalsContact O-CA 3.23Å; R169-M235 WeakPolarHBondContact O-CA 3.31Å; R169-K236 HydrophobicContact CB-CB 4.32Å; R169-K236 PolarHBondContact N-O 3.21Å; R169-K236 PolarHBondContact O-N 3.32Å; R169-E430 WeakPolarHBondContact CG-OE1 3.49Å; R169-E430 IonicContact CZ-OE1 3.97Å; R169-E430 IonicContact CZ-OE2 3.22Å; R169-E430 IonicContact NE-OE1 2.99Å; R169-E430 PolarHBondContact NE-OE1 3.06Å; R169-E430 IonicContact NE-OE2 2.7Å; R169-E430 PolarHBondContact NE-OE2 3.42Å; R169-E430 IonicContact NH2-OE1 2.94Å; R169-E430 IonicContact NH2-OE2 3.62Å; R169-E430 PolarHBondContact NH2-OE2 3.08Å
170	V	84.6	Confident	87.5	Confident	40 Å²	40	40.8 Å²	40.8	24%	0.242	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.7	176.7	-178.3	0	0	0	0	107.2	V167 Q233 M235 P267	V167-V170 HydrophobicContact CG1-CG2 3.26Å; V170-Q233 HydrophobicContact CG1-CG 4.1Å; V170-M235 HydrophobicContact CG2-CB 4.19Å; V170-P267 HydrophobicContact CB-CG 4.33Å; V170-P267 HydrophobicContact CG2-CG 4.12Å
171	S	85	Confident	87.4	Confident	24 Å²	24	40.3 Å²	40.3	17%	0.168	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-75.4	161.8	173	80.7	0	0	0	0	110.7	Q233 E234	S171-Q233 WeakPolarHBondContact O-CG 3.41Å; S171-Q233 PolarHBondContact O-NE2 3.16Å; S171-E234 WeakPolarHBondContact CB-O 3.32Å; S171-E234 PolarHBondContact N-O 3.1Å; S171-E234 PolarHBondContact OG-N 3.02Å; S171-E234 PolarHBondContact OG-O 2.82Å
172	E	84.3	Confident	87.3	Confident	166 Å²	166	39.8 Å²	39.8	78%	0.776	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-66.2	160.7	164.7	-63.3	-171.2	172.3	0	0	111.3	K174	E172-K174 PolarHBondContact O-N 2.78Å
173	V	88.2	Confident	87.1	Confident	40 Å²	40	39.4 Å²	39.4	24%	0.242	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-74.9	122.1	-179.9	-179.5	0	0	0	0	109.6	K231 R263	V173-K231 HydrophobicContact CG1-CB 3.76Å; V173-K231 HydrophobicContact CG1-CG 4.05Å; V173-R263 HydrophobicContact CG2-CG 3.57Å
174	K	88.4	Confident	86.9	Confident	65 Å²	65	39.4 Å²	39.4	28%	0.283	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147	178.2	-63.9	173.6	-177.5	173.2	0	109.6	E172 K176 F232 D421	E172-K174 PolarHBondContact O-N 2.78Å; K174-K176 PolarHBondContact O-N 3.47Å; K174-F232 PolarHBondContact N-O 3.06Å; K174-F232 WeakPolarHBondContact O-CA 3.41Å; K174-F232 WeakPolarHBondContact O-CB 3.18Å; K174-F232 PolarHBondContact O-N 3.27Å; K174-D421 IonicContact NZ-OD2 3.89Å
175	P	89.8	Confident	86.6	Confident	101 Å²	101	41.8 Å²	41.8	66%	0.656	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	120.4	172.3	29.7	-31.4	0	0	0	110.3	F229 I230	P175-F229 HydrophobicContact CB-CB 4.22Å; P175-F229 HydrophobicContact CB-CD1 4.27Å; P175-F229 HydrophobicContact CB-CG 4.44Å; P175-I230 CarbonylContact C-O 3.46Å; P175-I230 WeakPolarHBondContact CA-O 3.25Å
176	K	88.8	Confident	86.2	Confident	66 Å²	66	47 Å²	47	29%	0.287	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.7	170.3	177.2	-178.8	174.6	-161.2	0	109.3	K174 F229 I230 F232 E258	K174-K176 PolarHBondContact O-N 3.47Å; K176-F229 CarbonylContact O-C 3.57Å; K176-F229 VanDerWaalsContact O-CA 3.31Å; K176-F229 WeakPolarHBondContact O-CA 3.47Å; K176-I230 HydrophobicContact CB-CG1 4.01Å; K176-I230 HydrophobicContact CD-CD1 4.31Å; K176-I230 HydrophobicContact CG-CG1 4.43Å; K176-I230 PolarHBondContact N-O 3.3Å; K176-I230 PolarHBondContact O-N 3.41Å; K176-F232 HydrophobicContact CB-CB 3.51Å; K176-F232 HydrophobicContact CB-CD2 4.44Å; K176-F232 HydrophobicContact CB-CG 4.07Å; K176-F232 HydrophobicContact CD-CB 4.31Å; K176-F232 HydrophobicContact CD-CD2 3.71Å; K176-F232 HydrophobicContact CD-CE2 4.34Å; K176-F232 HydrophobicContact CD-CG 4.18Å; K176-E258 IonicContact NZ-OE1 2.78Å; K176-E258 PolarHBondContact NZ-OE1 2.8Å; K176-E258 IonicContact NZ-OE2 2.82Å; K176-E258 PolarHBondContact NZ-OE2 2.87Å
177	M	88.1	Confident	85.7	Confident	28 Å²	28	46.8 Å²	46.8	14%	0.138	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.9	178.6	-169.5	165.9	50.5	0	0	110.3	A180 I195 F200 L222 F229	M177-A180 HydrophobicContact CE-CB 3.93Å; M177-A180 HydrophobicContact SD-CB 3.82Å; M177-I195 HydrophobicContact CB-CD1 4.42Å; M177-I195 HydrophobicContact CE-CD1 3.42Å; M177-I195 VanDerWaalsContact CE-CD1 3.42Å; M177-I195 HydrophobicContact CG-CD1 4.09Å; M177-I195 HydrophobicContact SD-CD1 4.31Å; M177-F200 HydrophobicContact CE-CE1 3.69Å; M177-F200 HydrophobicContact CE-CE2 3.93Å; M177-F200 HydrophobicContact CE-CZ 3.15Å; M177-L222 HydrophobicContact CE-CD2 4.43Å; M177-L222 HydrophobicContact SD-CD1 4.46Å; M177-F229 HydrophobicContact CB-CD1 3.84Å; M177-F229 HydrophobicContact CB-CE1 3.73Å; M177-F229 HydrophobicContact CG-CD1 4.18Å; M177-F229 HydrophobicContact CG-CE1 3.86Å; M177-F229 HydrophobicContact CG-CZ 4.5Å; M177-F229 HydrophobicContact SD-CE1 3.98Å; M177-F229 HydrophobicContact SD-CZ 4.23Å
178	V	87.4	Confident	85.1	Confident	24 Å²	24	49.4 Å²	49.4	15%	0.145	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-44.5	177.5	-177.9	0	0	0	0	110.9	I195 K228 I230	V178-I195 PolarHBondContact O-N 2.89Å; V178-K228 PolarHBondContact N-O 3.38Å; V178-I230 HydrophobicContact CG2-CB 4.2Å; V178-I230 HydrophobicContact CG2-CD1 3.58Å; V178-I230 HydrophobicContact CG2-CG1 3.65Å; V178-I230 HydrophobicContact CG2-CG2 3.61Å
179	V	88.1	Confident	84.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.1	177.3	-174.4	0	0	0	0	108.7	P127 E129 L130 S227 K228	P127-V179 HydrophobicContact CG-CG1 4.32Å; E129-V179 HydrophobicContact CB-CG2 4.2Å; L130-V179 HydrophobicContact CB-CB 4.49Å; L130-V179 HydrophobicContact CB-CG1 4.35Å; L130-V179 HydrophobicContact CB-CG2 4.26Å; L130-V179 HydrophobicContact CD1-CB 4.2Å; L130-V179 HydrophobicContact CD1-CG1 3.7Å; V179-S227 VanDerWaalsContact O-CA 3.3Å; V179-S227 WeakPolarHBondContact O-CA 3.3Å; V179-S227 WeakPolarHBondContact O-CB 3.48Å; V179-K228 HydrophobicContact CB-CB 4.48Å; V179-K228 PolarHBondContact O-N 3.04Å
180	A	88.6	Confident	84.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.5	169.8	0	0	0	0	0	109.5	M177 Y182 Q193 I195 L222	M177-A180 HydrophobicContact CE-CB 3.93Å; M177-A180 HydrophobicContact SD-CB 3.82Å; A180-Y182 HydrophobicContact CB-CE2 3.82Å; A180-Q193 HydrophobicContact CB-CB 4.47Å; A180-Q193 PolarHBondContact N-O 3.05Å; A180-Q193 PolarHBondContact O-N 3.32Å; A180-I195 HydrophobicContact CB-CD1 3.81Å; A180-L222 HydrophobicContact CB-CD1 3.67Å
181	T	87.2	Confident	84.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.9	173.8	62	0	0	0	0	109.2	L130 T191 Y192 Q223 G226 S227	L130-T181 HydrophobicContact CD1-CG2 3.7Å; T181-T191 WeakPolarHBondContact CA-O 3.07Å; T181-Y192 HydrophobicContact CG2-CD1 3.51Å; T181-Y192 HydrophobicContact CG2-CE1 3.62Å; T181-Q223 PolarHBondContact O-N 3.45Å; T181-Q223 PolarHBondContact OG1-O 3.46Å; T181-Q223 VanDerWaalsContact OG1-O 3.06Å; T181-G226 VanDerWaalsContact CG2-C 3.44Å; T181-G226 WeakPolarHBondContact CG2-O 3.44Å; T181-G226 VanDerWaalsContact OG1-CA 3.3Å; T181-G226 WeakPolarHBondContact OG1-CA 3.48Å; T181-S227 PolarHBondContact OG1-N 3.41Å; T181-S227 VanDerWaalsContact OG1-N 3.13Å
182	Y	87.8	Confident	84.6	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.7	174.8	-55.3	-85.7	0	0	0	110.1	A180 E190 T191 Q193 P202 L203 L220 Y221 L222	A180-Y182 HydrophobicContact CB-CE2 3.82Å; Y182-E190 CarbonylContact O-C 3.47Å; Y182-E190 VanDerWaalsContact O-CA 3.24Å; Y182-E190 WeakPolarHBondContact O-CA 2.9Å; Y182-T191 WeakPolarHBondContact CB-OG1 3.48Å; Y182-T191 PolarHBondContact N-O 3.18Å; Y182-T191 PolarHBondContact O-N 3.47Å; Y182-Q193 HydrophobicContact CE2-CB 3.88Å; Y182-Q193 PolarHBondContact OH-OE1 2.84Å; Y182-P202 HydrophobicContact CE1-CB 4.06Å; Y182-P202 WeakPolarHBondContact OH-CA 3.43Å; Y182-L203 HydrophobicContact CD2-CB 4.43Å; Y182-L203 HydrophobicContact CE2-CB 4.34Å; Y182-L203 HydrophobicContact CE2-CD1 4.49Å; Y182-L220 HydrophobicContact CD1-CB 4.48Å; Y182-L220 HydrophobicContact CG-CB 4.46Å; Y182-Y221 CarbonylContact C-O 3.58Å; Y182-Y221 VanDerWaalsContact CA-O 3.23Å; Y182-Y221 WeakPolarHBondContact CA-O 3.45Å; Y182-L222 HydrophobicContact CD1-CB 3.92Å; Y182-L222 HydrophobicContact CD1-CD1 4.03Å; Y182-L222 HydrophobicContact CE1-CB 3.76Å; Y182-L222 HydrophobicContact CE1-CD1 3.64Å; Y182-L222 HydrophobicContact CE1-CG 4.25Å
183	T	87.1	Confident	84.6	Confident	9 Å²	9	39.1 Å²	39.1	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135	-179.8	27.5	0	0	0	0	107.7	E190 L220 Y221	T183-E190 HydrophobicContact CG2-CG 3.73Å; T183-L220 WeakPolarHBondContact O-CA 3.23Å; T183-Y221 WeakPolarHBondContact CB-OH 3.33Å; T183-Y221 PolarHBondContact N-O 3.36Å; T183-Y221 WeakPolarHBondContact O-CD1 3.43Å; T183-Y221 VanDerWaalsContact O-CE1 3.27Å; T183-Y221 WeakPolarHBondContact O-CE1 3.2Å; T183-Y221 PolarHBondContact O-N 3Å; T183-Y221 WeakPolarHBondContact OG1-CD2 3.42Å; T183-Y221 VanDerWaalsContact OG1-CE1 3.31Å; T183-Y221 WeakPolarHBondContact OG1-CE1 3.36Å; T183-Y221 WeakPolarHBondContact OG1-CE2 3.28Å; T183-Y221 PolarHBondContact OG1-O 2.69Å; T183-Y221 PolarHBondContact OG1-OH 2.77Å
184	C	83.9	Confident	84.5	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.5	178.2	-173.8	0	0	0	0	110.6	Q186 C187 G188 A189 C206 L220	C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 PolarHBondContact O-N 3.37Å; C184-C187 WeakPolarHBondContact CB-SG 3.35Å; C184-C187 PolarHBondContact SG-SG 3.17Å; C184-G188 VanDerWaalsContact O-CA 3.27Å; C184-G188 WeakPolarHBondContact O-CA 3.49Å; C184-G188 PolarHBondContact O-N 2.83Å; C184-A189 PolarHBondContact N-O 2.8Å; C184-A189 VanDerWaalsContact N-O 3.16Å; C184-C206 HydrophobicContact CB-CB 4.37Å; C184-L220 HydrophobicContact CB-CD2 3.86Å
185	D	83.1	Confident	84.4	Confident	118 Å²	118	38.1 Å²	38.1	63%	0.631	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.9	179.4	-71.1	-29.5	0	0	0	113.7	R219 Y221	D185-R219 PolarHBondContact N-O 3.1Å; D185-Y221 WeakPolarHBondContact OD1-CD1 3.31Å; D185-Y221 WeakPolarHBondContact OD1-CE1 3.25Å
186	Q	80.8	Confident	83.8	Confident	114 Å²	114	38.8 Å²	38.8	53%	0.533	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-45.6	-173	-69.7	179	-4.8	0	0	113.6	C184 S216	C184-Q186 VanDerWaalsContact C-N 3.26Å; C184-Q186 PolarHBondContact O-N 3.37Å; Q186-S216 PolarHBondContact NE2-O 2.83Å; Q186-S216 VanDerWaalsContact NE2-O 3.08Å; Q186-S216 VanDerWaalsContact OE1-C 3.3Å; Q186-S216 PolarHBondContact OE1-O 2.85Å; Q186-S216 PolarHBondContact OE1-OG 3.35Å
187	C	75.3	Confident	83.3	Confident	32 Å²	32	38 Å²	38	22%	0.216	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-9.1	179.8	65	0	0	0	0	113.4	C184 A189 S208 C211	C184-C187 WeakPolarHBondContact CB-SG 3.35Å; C184-C187 PolarHBondContact SG-SG 3.17Å; C187-A189 PolarHBondContact O-N 2.93Å; C187-A189 VanDerWaalsContact SG-CB 3.51Å; C187-S208 PolarHBondContact SG-OG 3.05Å; C187-C211 PolarHBondContact SG-SG 3.19Å
188	G	76.5	Confident	82.8	Confident	55 Å²	55	41.6 Å²	41.6	57%	0.567	24%	0.242	S	C	*	.			trans	64	2.9	-176.4	0	0	0	0	0	114.6	C184	C184-G188 VanDerWaalsContact O-CA 3.27Å; C184-G188 WeakPolarHBondContact O-CA 3.49Å; C184-G188 PolarHBondContact O-N 2.83Å
189	A	76.7	Confident	82.5	Confident	21 Å²	21	44 Å²	44	17%	0.174	26%	0.257	C	S	.	.			trans	-69.6	133.3	-178.5	0	0	0	0	0	110.9	C184 C187	C184-A189 PolarHBondContact N-O 2.8Å; C184-A189 VanDerWaalsContact N-O 3.16Å; C187-A189 PolarHBondContact O-N 2.93Å; C187-A189 VanDerWaalsContact SG-CB 3.51Å
190	E	78.9	Confident	82.3	Confident	60 Å²	60	48 Å²	48	28%	0.28	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.5	169.3	-68.5	-175.5	-157.5	0	0	109.7	R106 Y182 T183 Y192	R106-E190 IonicContact CZ-OE2 3.91Å; R106-E190 IonicContact NE-OE2 3.77Å; R106-E190 PolarHBondContact NE-OE2 3.29Å; R106-E190 IonicContact NH2-OE2 3.93Å; R106-E190 PolarHBondContact NH2-OE2 3.41Å; Y182-E190 CarbonylContact O-C 3.47Å; Y182-E190 VanDerWaalsContact O-CA 3.24Å; Y182-E190 WeakPolarHBondContact O-CA 2.9Å; T183-E190 HydrophobicContact CG2-CG 3.73Å; E190-Y192 HydrophobicContact CB-CE1 4.26Å; E190-Y192 HydrophobicContact CB-CE2 4.32Å; E190-Y192 WeakPolarHBondContact CB-OH 3.25Å; E190-Y192 PolarHBondContact OE2-OH 2.94Å
191	T	82.8	Confident	82.1	Confident	9 Å²	9	55 Å²	55	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140	172.2	64.9	0	0	0	0	110.7	T181 Y182 P207	T181-T191 WeakPolarHBondContact CA-O 3.07Å; Y182-T191 WeakPolarHBondContact CB-OG1 3.48Å; Y182-T191 PolarHBondContact N-O 3.18Å; Y182-T191 PolarHBondContact O-N 3.47Å; T191-P207 HydrophobicContact CG2-CG 3.96Å
192	Y	84.3	Confident	81.9	Confident	35 Å²	35	58.2 Å²	58.2	14%	0.137	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126	-172.6	-52.9	-73.1	0	0	0	109.9	Y126 P127 L130 T181 E190	Y126-Y192 HydrophobicContact CD1-CE1 4.45Å; Y126-Y192 AromaticContact CD1-CE2 3.64Å; Y126-Y192 HydrophobicContact CD1-CE2 3.64Å; Y126-Y192 AromaticContact CD1-CZ 3.65Å; Y126-Y192 AromaticContact CE1-CE2 3.87Å; Y126-Y192 HydrophobicContact CE1-CE2 3.87Å; Y126-Y192 AromaticContact CE1-CZ 3.66Å; Y126-Y192 WeakPolarHBondContact CE1-OH 3.5Å; P127-Y192 HydrophobicContact CG-CG 4.29Å; L130-Y192 HydrophobicContact CD1-CD1 3.75Å; L130-Y192 HydrophobicContact CD1-CE1 4.02Å; T181-Y192 HydrophobicContact CG2-CD1 3.51Å; T181-Y192 HydrophobicContact CG2-CE1 3.62Å; E190-Y192 HydrophobicContact CB-CE1 4.26Å; E190-Y192 HydrophobicContact CB-CE2 4.32Å; E190-Y192 WeakPolarHBondContact CB-OH 3.25Å; E190-Y192 PolarHBondContact OE2-OH 2.94Å
193	Q	85.3	Confident	81.7	Confident	40 Å²	40	61.5 Å²	61.5	19%	0.187	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	109.4	173.3	-172.3	178.9	5	0	0	109.2	A180 Y182 M201 L203	A180-Q193 HydrophobicContact CB-CB 4.47Å; A180-Q193 PolarHBondContact N-O 3.05Å; A180-Q193 PolarHBondContact O-N 3.32Å; Y182-Q193 HydrophobicContact CE2-CB 3.88Å; Y182-Q193 PolarHBondContact OH-OE1 2.84Å; Q193-M201 PolarHBondContact NE2-O 3.21Å; Q193-L203 HydrophobicContact CB-CD1 4.25Å; Q193-L203 HydrophobicContact CG-CD1 4.44Å
194	P	86.1	Confident	81.4	Confident	67 Å²	67	66 Å²	66	44%	0.435	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.9	170.3	29.7	-32.3	0	0	0	109.8
195	I	85.6	Confident	81.2	Confident	16 Å²	16	73.3 Å²	73.3	8%	0.082	41%	0.406	C	S	.	.			trans	-113.1	112.2	-175.8	-62.2	161.6	0	0	0	108.1	M177 V178 A180 S197 F200	M177-I195 HydrophobicContact CB-CD1 4.42Å; M177-I195 HydrophobicContact CE-CD1 3.42Å; M177-I195 VanDerWaalsContact CE-CD1 3.42Å; M177-I195 HydrophobicContact CG-CD1 4.09Å; M177-I195 HydrophobicContact SD-CD1 4.31Å; V178-I195 PolarHBondContact O-N 2.89Å; A180-I195 HydrophobicContact CB-CD1 3.81Å; I195-S197 VanDerWaalsContact CG2-O 3.27Å; I195-S197 WeakPolarHBondContact CG2-O 3.49Å; I195-F200 HydrophobicContact CD1-CD1 3.72Å; I195-F200 HydrophobicContact CD1-CD2 3.81Å; I195-F200 HydrophobicContact CD1-CE1 3.67Å; I195-F200 HydrophobicContact CD1-CE2 3.76Å; I195-F200 HydrophobicContact CD1-CG 3.82Å; I195-F200 HydrophobicContact CD1-CZ 3.72Å; I195-F200 HydrophobicContact CG1-CB 4.32Å; I195-F200 HydrophobicContact CG1-CD1 4.11Å; I195-F200 HydrophobicContact CG1-CD2 4.12Å; I195-F200 HydrophobicContact CG1-CG 3.91Å; I195-F200 HydrophobicContact CG2-CB 4.13Å; I195-F200 HydrophobicContact CG2-CD1 3.72Å; I195-F200 HydrophobicContact CG2-CE1 4.48Å; I195-F200 HydrophobicContact CG2-CG 4.06Å
196	Q	77.5	Confident	80.8	Confident	116 Å²	116	68.6 Å²	68.6	54%	0.542	38%	0.381	S	S	.	.			trans	-105.6	-20.6	177.9	-67.4	-73.1	-30.1	0	0	112.3
197	S	79.4	Confident	80.5	Confident	48 Å²	48	66.2 Å²	66.2	34%	0.336	38%	0.376	S	S	.	.	S	Bend	trans	-98.8	147.8	-177.7	175	0	0	0	0	110.6	I195 T199	I195-S197 VanDerWaalsContact CG2-O 3.27Å; I195-S197 WeakPolarHBondContact CG2-O 3.49Å; S197-T199 VanDerWaalsContact CB-O 3.25Å; S197-T199 WeakPolarHBondContact CB-O 3.22Å; S197-T199 PolarHBondContact O-N 3.27Å; S197-T199 PolarHBondContact OG-N 3.07Å; S197-T199 PolarHBondContact OG-O 2.93Å
198	P	75.6	Confident	80.3	Confident	104 Å²	104	65.1 Å²	65.1	68%	0.675	37%	0.368	S	S	*	.	S	Bend	trans	-60.2	-26.5	173.1	24.9	-35.4	0	0	0	112.8
199	T	81.5	Confident	80.2	Confident	76 Å²	76	68.6 Å²	68.6	47%	0.466	37%	0.37	S	S	.	.	S	Bend	trans	-113.4	133.3	174.5	52.9	0	0	0	0	109.6	S197 T283	S197-T199 VanDerWaalsContact CB-O 3.25Å; S197-T199 WeakPolarHBondContact CB-O 3.22Å; S197-T199 PolarHBondContact O-N 3.27Å; S197-T199 PolarHBondContact OG-N 3.07Å; S197-T199 PolarHBondContact OG-O 2.93Å; T199-T283 PolarHBondContact OG1-OG1 3.06Å
200	F	83.5	Confident	79.9	Confident	83 Å²	83	73.5 Å²	73.5	36%	0.364	39%	0.39	S	S	.	.			trans	-141.2	152.8	172.5	72.1	-81.2	0	0	0	110.2	M177 I195	M177-F200 HydrophobicContact CE-CE1 3.69Å; M177-F200 HydrophobicContact CE-CE2 3.93Å; M177-F200 HydrophobicContact CE-CZ 3.15Å; I195-F200 HydrophobicContact CD1-CD1 3.72Å; I195-F200 HydrophobicContact CD1-CD2 3.81Å; I195-F200 HydrophobicContact CD1-CE1 3.67Å; I195-F200 HydrophobicContact CD1-CE2 3.76Å; I195-F200 HydrophobicContact CD1-CG 3.82Å; I195-F200 HydrophobicContact CD1-CZ 3.72Å; I195-F200 HydrophobicContact CG1-CB 4.32Å; I195-F200 HydrophobicContact CG1-CD1 4.11Å; I195-F200 HydrophobicContact CG1-CD2 4.12Å; I195-F200 HydrophobicContact CG1-CG 3.91Å; I195-F200 HydrophobicContact CG2-CB 4.13Å; I195-F200 HydrophobicContact CG2-CD1 3.72Å; I195-F200 HydrophobicContact CG2-CE1 4.48Å; I195-F200 HydrophobicContact CG2-CG 4.06Å
201	M	84.5	Confident	79.5	Confident	148 Å²	148	71 Å²	71	73%	0.729	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-99.1	127.6	173	-173.1	170.7	-177.2	0	0	108.6	Q193	Q193-M201 PolarHBondContact NE2-O 3.21Å
202	P	84.3	Confident	79.1	Confident	67 Å²	67	77.4 Å²	77.4	44%	0.435	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-68.3	142.9	177.6	28.5	-34.2	0	0	0	110.9	Y182 I204	Y182-P202 HydrophobicContact CE1-CB 4.06Å; Y182-P202 WeakPolarHBondContact OH-CA 3.43Å; P202-I204 PolarHBondContact O-N 2.94Å
203	L	82.5	Confident	78.6	Confident	71 Å²	71	81.1 Å²	81.1	37%	0.372	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-74.1	120.5	172.6	-66.8	168.5	0	0	0	109.5	Y182 Q193 L220	Y182-L203 HydrophobicContact CD2-CB 4.43Å; Y182-L203 HydrophobicContact CE2-CB 4.34Å; Y182-L203 HydrophobicContact CE2-CD1 4.49Å; Q193-L203 HydrophobicContact CB-CD1 4.25Å; Q193-L203 HydrophobicContact CG-CD1 4.44Å; L203-L220 HydrophobicContact CB-CD1 3.82Å; L203-L220 WeakPolarHBondContact O-CB 3.29Å
204	I	82.3	Confident	78	Confident	103 Å²	103	84.9 Å²	84.9	53%	0.528	46%	0.456	S	S	.	.			trans	-97.3	-33.1	179.2	-56.7	168.7	0	0	0	110.9	P202 L220	P202-I204 PolarHBondContact O-N 2.94Å; I204-L220 PolarHBondContact O-N 2.93Å
205	M	79.3	Confident	77.2	Confident	157 Å²	157	92.7 Å²	92.7	77%	0.773	48%	0.477	S	S	*	.	B	Isolated β-bridge	trans	-98.5	134	-178.6	-62.1	-164.7	-55.6	0	0	110.9	P207 L220	M205-P207 WeakPolarHBondContact O-CD 3.46Å; M205-L220 VanDerWaalsContact O-CD1 3.28Å; M205-L220 WeakPolarHBondContact O-CD1 3.41Å
206	C	74.2	Confident	76.4	Confident	18 Å²	18	94.3 Å²	94.3	12%	0.122	49%	0.489	C	S	.	.			trans	-71.5	123.1	177	-166.9	0	0	0	0	111.7	C184 S208 C211 G218 L220	C184-C206 HydrophobicContact CB-CB 4.37Å; C206-S208 PolarHBondContact O-N 2.88Å; C206-S208 VanDerWaalsContact SG-CB 3.56Å; C206-S208 PolarHBondContact SG-OG 3.21Å; C206-C211 HydrophobicContact CB-CB 4.17Å; C206-G218 PolarHBondContact N-O 3.02Å; C206-L220 HydrophobicContact CB-CD2 4.02Å; C206-L220 HydrophobicContact CB-CG 4.16Å
207	P	74.6	Confident	75.8	Confident	65 Å²	65	91.8 Å²	91.8	42%	0.422	49%	0.494	S	S	.	.			trans	-78.8	1.1	173	33.1	-37.4	0	0	0	113.9	T191 M205	T191-P207 HydrophobicContact CG2-CG 3.96Å; M205-P207 WeakPolarHBondContact O-CD 3.46Å
208	S	72.1	Confident	75.6	Confident	8 Å²	8	89.6 Å²	89.6	6%	0.056	48%	0.479	C	S	.	.			trans	-64.2	137.7	-177.5	67.2	0	0	0	0	111.5	C187 C206 E210 C211 Q212	C187-S208 PolarHBondContact SG-OG 3.05Å; C206-S208 PolarHBondContact O-N 2.88Å; C206-S208 VanDerWaalsContact SG-CB 3.56Å; C206-S208 PolarHBondContact SG-OG 3.21Å; S208-E210 PolarHBondContact O-N 3.39Å; S208-C211 PolarHBondContact O-N 2.9Å; S208-C211 WeakPolarHBondContact OG-CB 3.45Å; S208-C211 PolarHBondContact OG-N 3.2Å; S208-Q212 PolarHBondContact O-N 2.77Å
209	Q	73.2	Confident	76	Confident	129 Å²	129	93.9 Å²	93.9	60%	0.603	48%	0.482	S	S	*	.	H	α-helix	trans	-60.4	-31.6	179.3	-69.2	-177.5	-2.3	0	0	111.7	Q212 T213	Q209-Q212 PolarHBondContact O-N 2.9Å; Q209-T213 VanDerWaalsContact O-CB 3.27Å; Q209-T213 WeakPolarHBondContact O-CB 3.49Å; Q209-T213 PolarHBondContact O-N 3.13Å; Q209-T213 PolarHBondContact O-OG1 3.48Å
210	E	71.3	Confident	76.1	Confident	124 Å²	124	91 Å²	91	58%	0.579	46%	0.464	S	S	*	.	H	α-helix	trans	-63.8	-46.3	175.6	-65	-179.7	176.3	0	0	112.2	S208 N214	S208-E210 PolarHBondContact O-N 3.39Å; E210-N214 VanDerWaalsContact O-CB 3.23Å; E210-N214 WeakPolarHBondContact O-CB 3.3Å; E210-N214 VanDerWaalsContact O-CG 3.32Å; E210-N214 PolarHBondContact O-N 3.28Å; E210-N214 PolarHBondContact O-ND2 3.48Å
211	C	70.8	Confident	76.3	Confident	7 Å²	7	92.1 Å²	92.1	5%	0.047	47%	0.466	C	S	.	.	H	α-helix	trans	-71.2	-30.8	176.4	-78.5	0	0	0	0	112.8	C187 C206 S208 R215 S216	C187-C211 PolarHBondContact SG-SG 3.19Å; C206-C211 HydrophobicContact CB-CB 4.17Å; S208-C211 PolarHBondContact O-N 2.9Å; S208-C211 WeakPolarHBondContact OG-CB 3.45Å; S208-C211 PolarHBondContact OG-N 3.2Å; C211-R215 PolarHBondContact O-N 3.31Å; C211-S216 PolarHBondContact O-N 3.35Å
212	Q	73.1	Confident	76.4	Confident	143 Å²	143	88.7 Å²	88.7	67%	0.668	45%	0.45	S	S	*	.	H	α-helix	trans	-73.1	-43.1	178	-164.3	172.9	14.7	0	0	111.7	S208 Q209 R215	S208-Q212 PolarHBondContact O-N 2.77Å; Q209-Q212 PolarHBondContact O-N 2.9Å; Q212-R215 PolarHBondContact O-N 3.12Å
213	T	74.6	Confident	76.5	Confident	114 Å²	114	87.8 Å²	87.8	70%	0.699	44%	0.44	S	S	*	.	H	α-helix	trans	-69.1	-41.1	177.4	-58.6	0	0	0	0	111.2	Q209 R215	Q209-T213 VanDerWaalsContact O-CB 3.27Å; Q209-T213 WeakPolarHBondContact O-CB 3.49Å; Q209-T213 PolarHBondContact O-N 3.13Å; Q209-T213 PolarHBondContact O-OG1 3.48Å; T213-R215 VanDerWaalsContact C-N 3.26Å; T213-R215 PolarHBondContact O-N 2.89Å
214	N	72.8	Confident	76.7	Confident	119 Å²	119	88.8 Å²	88.8	64%	0.636	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.8	179.3	-68.8	-20.7	0	0	0	113.9	E210 S216	E210-N214 VanDerWaalsContact O-CB 3.23Å; E210-N214 WeakPolarHBondContact O-CB 3.3Å; E210-N214 VanDerWaalsContact O-CG 3.32Å; E210-N214 PolarHBondContact O-N 3.28Å; E210-N214 PolarHBondContact O-ND2 3.48Å; N214-S216 PolarHBondContact O-N 2.7Å
215	R	67.9	Low	76.7	Confident	231 Å²	231	92 Å²	92	87%	0.872	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	21.5	-174.5	-64.4	-177.6	179.6	169.5	0.4	114.3	C211 Q212 T213 G217	C211-R215 PolarHBondContact O-N 3.31Å; Q212-R215 PolarHBondContact O-N 3.12Å; T213-R215 VanDerWaalsContact C-N 3.26Å; T213-R215 PolarHBondContact O-N 2.89Å; R215-G217 PolarHBondContact O-N 3.26Å
216	S	68.7	Low	76.7	Confident	50 Å²	50	84.6 Å²	84.6	35%	0.35	42%	0.419	S	S	.	.			trans	-80.2	-8.6	-171.1	63.7	0	0	0	0	112.7	Q186 C211 N214 G218	Q186-S216 PolarHBondContact NE2-O 2.83Å; Q186-S216 VanDerWaalsContact NE2-O 3.08Å; Q186-S216 VanDerWaalsContact OE1-C 3.3Å; Q186-S216 PolarHBondContact OE1-O 2.85Å; Q186-S216 PolarHBondContact OE1-OG 3.35Å; C211-S216 PolarHBondContact O-N 3.35Å; N214-S216 PolarHBondContact O-N 2.7Å; S216-G218 VanDerWaalsContact C-N 3.32Å; S216-G218 PolarHBondContact O-N 3.29Å
217	G	66.3	Low	77.3	Confident	63 Å²	63	83.9 Å²	83.9	65%	0.649	41%	0.414	S	S	*	.			trans	57.6	42.5	166.3	0	0	0	0	0	113.1	R215 R219	R215-G217 PolarHBondContact O-N 3.26Å; G217-R219 PolarHBondContact O-N 3.35Å
218	G	75.1	Confident	77.8	Confident	2 Å²	2	82.6 Å²	82.6	2%	0.021	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-57.4	132.4	-178.8	0	0	0	0	0	112.2	C206 S216	C206-G218 PolarHBondContact N-O 3.02Å; S216-G218 VanDerWaalsContact C-N 3.32Å; S216-G218 PolarHBondContact O-N 3.29Å
219	R	82.6	Confident	78.6	Confident	193 Å²	193	86.5 Å²	86.5	73%	0.728	42%	0.418	S	S	*	.	B	Isolated β-bridge	trans	-79.9	138.4	175	-68.7	-176.4	177.9	-174.8	-0.5	109.7	D185 G217	D185-R219 PolarHBondContact N-O 3.1Å; G217-R219 PolarHBondContact O-N 3.35Å
220	L	85.4	Confident	79.3	Confident	17 Å²	17	82.1 Å²	82.1	9%	0.089	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.5	173.6	-72.7	179.2	0	0	0	110.1	Y182 T183 C184 L203 I204 M205 C206	Y182-L220 HydrophobicContact CD1-CB 4.48Å; Y182-L220 HydrophobicContact CG-CB 4.46Å; T183-L220 WeakPolarHBondContact O-CA 3.23Å; C184-L220 HydrophobicContact CB-CD2 3.86Å; L203-L220 HydrophobicContact CB-CD1 3.82Å; L203-L220 WeakPolarHBondContact O-CB 3.29Å; I204-L220 PolarHBondContact O-N 2.93Å; M205-L220 VanDerWaalsContact O-CD1 3.28Å; M205-L220 WeakPolarHBondContact O-CD1 3.41Å; C206-L220 HydrophobicContact CB-CD2 4.02Å; C206-L220 HydrophobicContact CB-CG 4.16Å
221	Y	86.8	Confident	80.3	Confident	105 Å²	105	82 Å²	82	41%	0.412	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.5	168.8	64.9	-87.8	0	0	0	110.2	Y182 T183 D185 Q223	Y182-Y221 CarbonylContact C-O 3.58Å; Y182-Y221 VanDerWaalsContact CA-O 3.23Å; Y182-Y221 WeakPolarHBondContact CA-O 3.45Å; T183-Y221 WeakPolarHBondContact CB-OH 3.33Å; T183-Y221 PolarHBondContact N-O 3.36Å; T183-Y221 WeakPolarHBondContact O-CD1 3.43Å; T183-Y221 VanDerWaalsContact O-CE1 3.27Å; T183-Y221 WeakPolarHBondContact O-CE1 3.2Å; T183-Y221 PolarHBondContact O-N 3Å; T183-Y221 WeakPolarHBondContact OG1-CD2 3.42Å; T183-Y221 VanDerWaalsContact OG1-CE1 3.31Å; T183-Y221 WeakPolarHBondContact OG1-CE1 3.36Å; T183-Y221 WeakPolarHBondContact OG1-CE2 3.28Å; T183-Y221 PolarHBondContact OG1-O 2.69Å; T183-Y221 PolarHBondContact OG1-OH 2.77Å; D185-Y221 WeakPolarHBondContact OD1-CD1 3.31Å; D185-Y221 WeakPolarHBondContact OD1-CE1 3.25Å; Y221-Q223 PolarHBondContact O-N 3.37Å
222	L	87.6	Confident	81.2	Confident	76 Å²	76	83.6 Å²	83.6	40%	0.398	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.2	175.4	179.8	68	0	0	0	109.4	M177 A180 Y182	M177-L222 HydrophobicContact CE-CD2 4.43Å; M177-L222 HydrophobicContact SD-CD1 4.46Å; A180-L222 HydrophobicContact CB-CD1 3.67Å; Y182-L222 HydrophobicContact CD1-CB 3.92Å; Y182-L222 HydrophobicContact CD1-CD1 4.03Å; Y182-L222 HydrophobicContact CE1-CB 3.76Å; Y182-L222 HydrophobicContact CE1-CD1 3.64Å; Y182-L222 HydrophobicContact CE1-CG 4.25Å
223	Q	85.9	Confident	82	Confident	48 Å²	48	77.4 Å²	77.4	22%	0.224	37%	0.373	C	S	.	.			trans	-102.5	111.7	175.1	-165.7	-176.8	35.6	0	0	110.4	T181 Y221 R225 G226 S227	T181-Q223 PolarHBondContact O-N 3.45Å; T181-Q223 PolarHBondContact OG1-O 3.46Å; T181-Q223 VanDerWaalsContact OG1-O 3.06Å; Y221-Q223 PolarHBondContact O-N 3.37Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 HydrophobicContact CG-CB 4.44Å; Q223-R225 PolarHBondContact O-N 3.16Å; Q223-G226 PolarHBondContact O-N 3.03Å; Q223-S227 PolarHBondContact O-N 3.35Å; Q223-S227 PolarHBondContact O-OG 3.48Å
224	T	85.7	Confident	82.6	Confident	92 Å²	92	73.8 Å²	73.8	56%	0.564	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.7	179.5	49	0	0	0	0	113.2	G226 S227 F229	T224-G226 VanDerWaalsContact C-N 3.35Å; T224-G226 PolarHBondContact O-N 3.09Å; T224-S227 VanDerWaalsContact C-OG 3.29Å; T224-S227 VanDerWaalsContact CA-OG 3.27Å; T224-S227 WeakPolarHBondContact CA-OG 3.38Å; T224-S227 PolarHBondContact O-N 3.36Å; T224-S227 PolarHBondContact O-OG 3.22Å; T224-F229 HydrophobicContact CG2-CZ 4.44Å
225	R	83.4	Confident	83.4	Confident	172 Å²	172	68.3 Å²	68.3	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-34	179.2	-63.8	-173.9	-178.7	-177	0.7	113.3	Y102 Q223	Y102-R225 HydrophobicContact CE2-CB 4.16Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 HydrophobicContact CG-CB 4.44Å; Q223-R225 PolarHBondContact O-N 3.16Å
226	G	79.6	Confident	84.4	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-21	179.2	0	0	0	0	0	113.2	R106 T181 Q223 T224	R106-G226 PolarHBondContact NH1-O 3.49Å; R106-G226 VanDerWaalsContact NH1-O 3.11Å; R106-G226 VanDerWaalsContact NH2-CA 3.34Å; R106-G226 PolarHBondContact NH2-O 3.42Å; T181-G226 VanDerWaalsContact CG2-C 3.44Å; T181-G226 WeakPolarHBondContact CG2-O 3.44Å; T181-G226 VanDerWaalsContact OG1-CA 3.3Å; T181-G226 WeakPolarHBondContact OG1-CA 3.48Å; Q223-G226 PolarHBondContact O-N 3.03Å; T224-G226 VanDerWaalsContact C-N 3.35Å; T224-G226 PolarHBondContact O-N 3.09Å
227	S	85.7	Confident	85.5	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	27%	0.272	C	S	.	.	S	Bend	trans	-80.9	151.5	-177.8	63.5	0	0	0	0	113.2	V179 T181 Q223 T224 F229	V179-S227 VanDerWaalsContact O-CA 3.3Å; V179-S227 WeakPolarHBondContact O-CA 3.3Å; V179-S227 WeakPolarHBondContact O-CB 3.48Å; T181-S227 PolarHBondContact OG1-N 3.41Å; T181-S227 VanDerWaalsContact OG1-N 3.13Å; Q223-S227 PolarHBondContact O-N 3.35Å; Q223-S227 PolarHBondContact O-OG 3.48Å; T224-S227 VanDerWaalsContact C-OG 3.29Å; T224-S227 VanDerWaalsContact CA-OG 3.27Å; T224-S227 WeakPolarHBondContact CA-OG 3.38Å; T224-S227 PolarHBondContact O-N 3.36Å; T224-S227 PolarHBondContact O-OG 3.22Å; S227-F229 WeakPolarHBondContact OG-CE2 3.27Å; S227-F229 VanDerWaalsContact OG-CZ 3.25Å; S227-F229 WeakPolarHBondContact OG-CZ 3.45Å
228	K	85.6	Confident	86.6	Confident	39 Å²	39	57.6 Å²	57.6	17%	0.17	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.2	179.8	-176.9	176.7	169.3	-173.3	0	110.5	E129 R132 V178 V179	E129-K228 WeakPolarHBondContact O-CD 3.08Å; E129-K228 PolarHBondContact O-NZ 3.02Å; R132-K228 WeakPolarHBondContact O-CE 3.3Å; R132-K228 PolarHBondContact O-NZ 3.13Å; V178-K228 PolarHBondContact N-O 3.38Å; V179-K228 HydrophobicContact CB-CB 4.48Å; V179-K228 PolarHBondContact O-N 3.04Å
229	F	88.6	Confident	87.3	Confident	90 Å²	90	57.8 Å²	57.8	40%	0.395	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.6	172.6	-58.5	-80.9	0	0	0	110.3	P175 K176 M177 T224 S227	P175-F229 HydrophobicContact CB-CB 4.22Å; P175-F229 HydrophobicContact CB-CD1 4.27Å; P175-F229 HydrophobicContact CB-CG 4.44Å; K176-F229 CarbonylContact O-C 3.57Å; K176-F229 VanDerWaalsContact O-CA 3.31Å; K176-F229 WeakPolarHBondContact O-CA 3.47Å; M177-F229 HydrophobicContact CB-CD1 3.84Å; M177-F229 HydrophobicContact CB-CE1 3.73Å; M177-F229 HydrophobicContact CG-CD1 4.18Å; M177-F229 HydrophobicContact CG-CE1 3.86Å; M177-F229 HydrophobicContact CG-CZ 4.5Å; M177-F229 HydrophobicContact SD-CE1 3.98Å; M177-F229 HydrophobicContact SD-CZ 4.23Å; T224-F229 HydrophobicContact CG2-CZ 4.44Å; S227-F229 WeakPolarHBondContact OG-CE2 3.27Å; S227-F229 VanDerWaalsContact OG-CZ 3.25Å; S227-F229 WeakPolarHBondContact OG-CZ 3.45Å
230	I	88.9	Confident	87.3	Confident	36 Å²	36	50.6 Å²	50.6	19%	0.185	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	153.2	169.5	62.2	175.5	0	0	0	109.3	P175 K176 V178 E258	P175-I230 CarbonylContact C-O 3.46Å; P175-I230 WeakPolarHBondContact CA-O 3.25Å; K176-I230 HydrophobicContact CB-CG1 4.01Å; K176-I230 HydrophobicContact CD-CD1 4.31Å; K176-I230 HydrophobicContact CG-CG1 4.43Å; K176-I230 PolarHBondContact N-O 3.3Å; K176-I230 PolarHBondContact O-N 3.41Å; V178-I230 HydrophobicContact CG2-CB 4.2Å; V178-I230 HydrophobicContact CG2-CD1 3.58Å; V178-I230 HydrophobicContact CG2-CG1 3.65Å; V178-I230 HydrophobicContact CG2-CG2 3.61Å; I230-E258 HydrophobicContact CD1-CB 4.24Å; I230-E258 WeakPolarHBondContact CD1-OE2 3.41Å
231	K	90.9	Very high	86.9	Confident	122 Å²	122	53.9 Å²	53.9	53%	0.53	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.7	170.8	-62.5	174.7	-171.5	168.1	0	108.2	V173 E258 G259 T262	V173-K231 HydrophobicContact CG1-CB 3.76Å; V173-K231 HydrophobicContact CG1-CG 4.05Å; K231-E258 CarbonylContact O-C 3.59Å; K231-E258 WeakPolarHBondContact O-CA 3.31Å; K231-G259 PolarHBondContact O-N 2.84Å; K231-T262 HydrophobicContact CB-CG2 3.95Å; K231-T262 WeakPolarHBondContact CD-OG1 3.32Å
232	F	90.8	Very high	86.4	Confident	40 Å²	40	55.6 Å²	55.6	18%	0.175	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.9	178.9	172	-93.4	0	0	0	109.2	K174 K176 L256 E258	K174-F232 PolarHBondContact N-O 3.06Å; K174-F232 WeakPolarHBondContact O-CA 3.41Å; K174-F232 WeakPolarHBondContact O-CB 3.18Å; K174-F232 PolarHBondContact O-N 3.27Å; K176-F232 HydrophobicContact CB-CB 3.51Å; K176-F232 HydrophobicContact CB-CD2 4.44Å; K176-F232 HydrophobicContact CB-CG 4.07Å; K176-F232 HydrophobicContact CD-CB 4.31Å; K176-F232 HydrophobicContact CD-CD2 3.71Å; K176-F232 HydrophobicContact CD-CE2 4.34Å; K176-F232 HydrophobicContact CD-CG 4.18Å; F232-L256 HydrophobicContact CE2-CB 4.12Å; F232-L256 HydrophobicContact CE2-CD1 4.09Å; F232-L256 HydrophobicContact CE2-CD2 3.91Å; F232-L256 HydrophobicContact CE2-CG 4.25Å; F232-L256 HydrophobicContact CZ-CD1 4.42Å; F232-L256 HydrophobicContact CZ-CD2 3.69Å; F232-L256 HydrophobicContact CZ-CG 4.49Å; F232-E258 HydrophobicContact CD2-CG 4.03Å
233	Q	88.8	Confident	85.9	Confident	14 Å²	14	56.2 Å²	56.2	7%	0.065	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.9	-179.8	-176.6	170.8	36.8	0	0	108.9	V170 S171 V257 T262	V170-Q233 HydrophobicContact CG1-CG 4.1Å; S171-Q233 WeakPolarHBondContact O-CG 3.41Å; S171-Q233 PolarHBondContact O-NE2 3.16Å; Q233-V257 HydrophobicContact CB-CB 4.28Å; Q233-V257 PolarHBondContact N-O 2.81Å; Q233-V257 PolarHBondContact O-N 2.99Å; Q233-T262 HydrophobicContact CB-CG2 3.82Å
234	E	88.5	Confident	85.8	Confident	37 Å²	37	55.3 Å²	55.3	17%	0.173	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.2	173.8	-174	179.4	165.4	0	0	108.5	S171 T254 L256	S171-E234 WeakPolarHBondContact CB-O 3.32Å; S171-E234 PolarHBondContact N-O 3.1Å; S171-E234 PolarHBondContact OG-N 3.02Å; S171-E234 PolarHBondContact OG-O 2.82Å; E234-T254 HydrophobicContact CG-CG2 3.62Å; E234-T254 VanDerWaalsContact OE1-CG2 3.27Å; E234-T254 WeakPolarHBondContact OE1-CG2 3.31Å; E234-L256 HydrophobicContact CB-CD2 4.36Å; E234-L256 HydrophobicContact CG-CD2 4.07Å
235	M	89	Confident	85.8	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.4	171.9	69.8	179.1	-179	0	0	110.8	R169 V170 V255 V257 A265 V273 I303	R169-M235 CarbonylContact O-C 3.58Å; R169-M235 VanDerWaalsContact O-CA 3.23Å; R169-M235 WeakPolarHBondContact O-CA 3.31Å; V170-M235 HydrophobicContact CG2-CB 4.19Å; M235-V255 HydrophobicContact CE-CB 3.59Å; M235-V255 HydrophobicContact CE-CG1 3.32Å; M235-V255 HydrophobicContact CE-CG2 4.08Å; M235-V255 HydrophobicContact CG-CB 3.68Å; M235-V255 HydrophobicContact CG-CG1 4.31Å; M235-V255 HydrophobicContact CG-CG2 4.42Å; M235-V255 PolarHBondContact N-O 2.64Å; M235-V255 PolarHBondContact O-N 3.02Å; M235-V257 HydrophobicContact CE-CG2 3.61Å; M235-V257 HydrophobicContact CG-CG2 3.91Å; M235-V257 HydrophobicContact SD-CG2 3.7Å; M235-A265 HydrophobicContact SD-CB 4.43Å; M235-V273 HydrophobicContact CE-CG1 4.26Å; M235-V273 HydrophobicContact CE-CG2 3.62Å; M235-I303 HydrophobicContact CE-CD1 3.72Å; M235-I303 HydrophobicContact CE-CG1 4.16Å; M235-I303 HydrophobicContact SD-CD1 4.21Å
236	K	89.7	Confident	85.9	Confident	55 Å²	55	53 Å²	53	24%	0.239	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.2	174.3	-69.4	-174.8	177.5	177.9	0	109.3	T168 R169	T168-K236 PolarHBondContact N-O 3.12Å; T168-K236 PolarHBondContact OG1-O 3.16Å; R169-K236 HydrophobicContact CB-CB 4.32Å; R169-K236 PolarHBondContact N-O 3.21Å; R169-K236 PolarHBondContact O-N 3.32Å
237	M	90.3	Very high	86.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.9	177.2	-166.6	174.4	96.7	0	0	109.8	I149 V163 R164 I166 S252 I253 V255 V271 V273	I149-M237 HydrophobicContact CD1-CE 3.58Å; I149-M237 HydrophobicContact CD1-CG 4.3Å; I149-M237 HydrophobicContact CG1-CE 3.7Å; V163-M237 HydrophobicContact CB-CE 3.81Å; V163-M237 HydrophobicContact CG2-CE 3.54Å; R164-M237 WeakPolarHBondContact O-CE 2.96Å; I166-M237 CarbonylContact O-C 3.57Å; I166-M237 WeakPolarHBondContact O-CA 3.37Å; M237-S252 CarbonylContact O-C 3.59Å; M237-S252 WeakPolarHBondContact O-CA 3.2Å; M237-S252 WeakPolarHBondContact O-CB 3.23Å; M237-I253 HydrophobicContact CB-CG2 4.06Å; M237-I253 PolarHBondContact N-O 2.97Å; M237-I253 PolarHBondContact O-N 2.72Å; M237-V255 HydrophobicContact CB-CG2 4.19Å; M237-V271 HydrophobicContact SD-CG2 3.85Å; M237-V273 HydrophobicContact SD-CG2 4.03Å
238	Q	89.7	Confident	86.3	Confident	65 Å²	65	60.9 Å²	60.9	30%	0.304	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.6	177.9	-172.3	172.4	27.1	0	0	110.9	G165 I166 T168 P250	G165-Q238 CarbonylContact C-O 3.54Å; G165-Q238 WeakPolarHBondContact CA-O 3.24Å; I166-Q238 PolarHBondContact N-O 2.97Å; I166-Q238 PolarHBondContact O-N 2.66Å; T168-Q238 HydrophobicContact CG2-CB 3.55Å; T168-Q238 HydrophobicContact CG2-CG 4.45Å; Q238-P250 HydrophobicContact CG-CB 3.93Å; Q238-P250 HydrophobicContact CG-CG 4.49Å
239	E	89.6	Confident	86.4	Confident	6 Å²	6	65.9 Å²	65.9	3%	0.028	36%	0.363	C	S	.	.			trans	-56.8	145.3	172.4	-74.2	174.2	-178.4	0	0	111.4	I149 R150 V244 P250 R251	I149-E239 HydrophobicContact CB-CG 3.65Å; I149-E239 HydrophobicContact CD1-CG 4.01Å; I149-E239 HydrophobicContact CG1-CG 4.14Å; I149-E239 HydrophobicContact CG2-CG 4.45Å; R150-E239 VanDerWaalsContact CA-OE1 3.29Å; R150-E239 WeakPolarHBondContact CA-OE1 3.42Å; R150-E239 VanDerWaalsContact CB-OE1 3.22Å; R150-E239 WeakPolarHBondContact CB-OE1 3.17Å; R150-E239 IonicContact CZ-OE2 3.83Å; R150-E239 PolarHBondContact N-OE1 2.82Å; R150-E239 IonicContact NE-OE1 3.55Å; R150-E239 IonicContact NE-OE2 2.96Å; R150-E239 PolarHBondContact NE-OE2 2.91Å; R150-E239 IonicContact NH2-OE2 3.7Å; R150-E239 PolarHBondContact NH2-OE2 3.43Å; R150-E239 VanDerWaalsContact NH2-OE2 3.08Å; E239-V244 HydrophobicContact CB-CG2 4.33Å; E239-P250 HydrophobicContact CB-CB 4.33Å; E239-R251 PolarHBondContact N-O 2.81Å; E239-R251 VanDerWaalsContact N-O 3.09Å; E239-R251 PolarHBondContact OE2-N 3.45Å
240	H	82.9	Confident	86.3	Confident	42 Å²	42	63.7 Å²	63.7	19%	0.194	36%	0.358	C	S	.	.			trans	-67	132.5	170.9	-164.5	-90.4	0	0	0	110.3	D242 Q243 H270	H240-D242 VanDerWaalsContact C-N 3.27Å; H240-D242 IonicContact CE1-OD1 2.74Å; H240-D242 IonicContact CE1-OD2 3.23Å; H240-D242 PolarHBondContact CE1-OD2 2.92Å; H240-D242 WeakPolarHBondContact ND1-CB 3.46Å; H240-D242 PolarHBondContact ND1-N 2.81Å; H240-D242 IonicContact ND1-OD1 3.86Å; H240-D242 IonicContact ND1-OD2 2.76Å; H240-D242 PolarHBondContact O-N 2.81Å; H240-Q243 HydrophobicContact CB-CG 4.43Å; H240-Q243 PolarHBondContact O-N 2.86Å; H240-Q243 VanDerWaalsContact O-N 3.09Å; H240-H270 AromaticContact CD2-CE1 3.52Å; H240-H270 AromaticContact CD2-ND1 3.49Å; H240-H270 PolarHBondContact CD2-ND1 2.89Å; H240-H270 AromaticContact NE2-CE1 3.29Å; H240-H270 PolarHBondContact NE2-CE1 3.24Å; H240-H270 VanDerWaalsContact NE2-CE1 3.29Å; H240-H270 AromaticContact NE2-ND1 3.64Å
241	S	76.1	Confident	86.3	Confident	85 Å²	85	69.2 Å²	69.2	59%	0.594	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-55.3	-39.2	-176.9	-58.9	0	0	0	0	113.2	Q243 V244	S241-Q243 PolarHBondContact O-N 2.91Å; S241-V244 WeakPolarHBondContact O-CB 3.4Å; S241-V244 PolarHBondContact O-N 2.95Å; S241-V244 VanDerWaalsContact O-N 3.13Å
242	D	77.9	Confident	86.2	Confident	141 Å²	141	67.4 Å²	67.4	75%	0.754	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-63.5	-24.3	-178.6	-58.1	-2.7	0	0	0	113.8	H240	H240-D242 VanDerWaalsContact C-N 3.27Å; H240-D242 IonicContact CE1-OD1 2.74Å; H240-D242 IonicContact CE1-OD2 3.23Å; H240-D242 PolarHBondContact CE1-OD2 2.92Å; H240-D242 WeakPolarHBondContact ND1-CB 3.46Å; H240-D242 PolarHBondContact ND1-N 2.81Å; H240-D242 IonicContact ND1-OD1 3.86Å; H240-D242 IonicContact ND1-OD2 2.76Å; H240-D242 PolarHBondContact O-N 2.81Å
243	Q	77.2	Confident	86.2	Confident	90 Å²	90	66 Å²	66	42%	0.421	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-93.4	-2.7	-177.5	-64.1	171.9	-7.6	0	0	112.1	V148 H240 S241 P245	V148-Q243 HydrophobicContact CG1-CB 4.44Å; V148-Q243 HydrophobicContact CG1-CG 4.37Å; H240-Q243 HydrophobicContact CB-CG 4.43Å; H240-Q243 PolarHBondContact O-N 2.86Å; H240-Q243 VanDerWaalsContact O-N 3.09Å; S241-Q243 PolarHBondContact O-N 2.91Å; Q243-P245 WeakPolarHBondContact O-CD 3.17Å
244	V	83.8	Confident	86.3	Confident	28 Å²	28	67.1 Å²	67.1	17%	0.17	38%	0.381	C	S	.	.	S	Bend	trans	-82.3	121.3	-179.4	-177.2	0	0	0	0	109.3	E239 S241 N248 P250	E239-V244 HydrophobicContact CB-CG2 4.33Å; S241-V244 WeakPolarHBondContact O-CB 3.4Å; S241-V244 PolarHBondContact O-N 2.95Å; S241-V244 VanDerWaalsContact O-N 3.13Å; V244-N248 HydrophobicContact CG1-CB 4.24Å; V244-N248 WeakPolarHBondContact CG1-O 3.38Å; V244-P250 HydrophobicContact CG2-CB 4.08Å
245	P	84.1	Confident	86.4	Confident	63 Å²	63	65.3 Å²	65.3	41%	0.409	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-60.6	140.6	172.8	-20.1	31.2	0	0	0	111.1	Q243 G247 N248	Q243-P245 WeakPolarHBondContact O-CD 3.17Å; P245-G247 PolarHBondContact O-N 2.94Å; P245-N248 PolarHBondContact O-N 2.89Å; P245-N248 VanDerWaalsContact O-N 3.1Å
246	V	86.3	Confident	86.5	Confident	154 Å²	154	66.2 Å²	66.2	93%	0.933	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	126.4	-179.4	-175.2	0	0	0	0	110.6
247	G	85.3	Confident	86.6	Confident	80 Å²	80	63.6 Å²	63.6	83%	0.825	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-5.7	177.5	0	0	0	0	0	116	P245	P245-G247 PolarHBondContact O-N 2.94Å
248	N	87.9	Confident	86.5	Confident	88 Å²	88	65 Å²	65	47%	0.471	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-97.5	149.2	173.8	-72.6	-48.5	0	0	0	112.4	R150 V244 P245	R150-N248 PolarHBondContact NH1-ND2 3.37Å; R150-N248 VanDerWaalsContact NH1-ND2 3.15Å; V244-N248 HydrophobicContact CG1-CB 4.24Å; V244-N248 WeakPolarHBondContact CG1-O 3.38Å; P245-N248 PolarHBondContact O-N 2.89Å; P245-N248 VanDerWaalsContact O-N 3.1Å
249	I	87.9	Confident	86.4	Confident	144 Å²	144	62.1 Å²	62.1	74%	0.738	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-80.9	138.6	172.7	-57.5	172.6	0	0	0	108.8	R150 R251	R150-I249 PolarHBondContact NH2-O 3.31Å; I249-R251 PolarHBondContact O-N 2.94Å
250	P	86.7	Confident	86.3	Confident	44 Å²	44	66.4 Å²	66.4	29%	0.286	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-60.7	132.2	173.3	23.4	-34.6	0	0	0	111.4	Q238 E239 V244	Q238-P250 HydrophobicContact CG-CB 3.93Å; Q238-P250 HydrophobicContact CG-CG 4.49Å; E239-P250 HydrophobicContact CB-CB 4.33Å; V244-P250 HydrophobicContact CG2-CB 4.08Å
251	R	89.2	Confident	86.4	Confident	151 Å²	151	64.5 Å²	64.5	57%	0.57	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-83.3	152.6	175.6	-61.9	-178.7	174.4	178.8	-1.5	110.8	E239 I249	E239-R251 PolarHBondContact N-O 2.81Å; E239-R251 VanDerWaalsContact N-O 3.09Å; E239-R251 PolarHBondContact OE2-N 3.45Å; I249-R251 PolarHBondContact O-N 2.94Å
252	S	88.8	Confident	86.9	Confident	84 Å²	84	61 Å²	61	59%	0.587	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.8	172.2	56.1	0	0	0	0	110.8	M237	M237-S252 CarbonylContact O-C 3.59Å; M237-S252 WeakPolarHBondContact O-CA 3.2Å; M237-S252 WeakPolarHBondContact O-CB 3.23Å
253	I	89.8	Confident	87.3	Confident	12 Å²	12	63.6 Å²	63.6	6%	0.062	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.3	174.8	-166.2	169.6	0	0	0	108.9	I149 M237 V255 F277 L298	I149-I253 HydrophobicContact CD1-CG2 3.9Å; I149-I253 HydrophobicContact CG1-CG2 4.31Å; I149-I253 HydrophobicContact CG2-CB 3.96Å; I149-I253 HydrophobicContact CG2-CG2 4.1Å; M237-I253 HydrophobicContact CB-CG2 4.06Å; M237-I253 PolarHBondContact N-O 2.97Å; M237-I253 PolarHBondContact O-N 2.72Å; I253-V255 HydrophobicContact CG2-CG2 4.18Å; I253-F277 HydrophobicContact CD1-CD2 3.99Å; I253-F277 HydrophobicContact CD1-CE2 3.72Å; I253-L298 HydrophobicContact CD1-CB 4.26Å
254	T	90.7	Very high	87.7	Confident	36 Å²	36	62.2 Å²	62.2	22%	0.221	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.6	171.7	-60.5	0	0	0	0	108.9	E234 L256 Y297 L298	E234-T254 HydrophobicContact CG-CG2 3.62Å; E234-T254 VanDerWaalsContact OE1-CG2 3.27Å; E234-T254 WeakPolarHBondContact OE1-CG2 3.31Å; T254-L256 HydrophobicContact CG2-CD2 4.19Å; T254-Y297 VanDerWaalsContact O-CA 3.28Å; T254-Y297 WeakPolarHBondContact O-CA 3.34Å; T254-L298 PolarHBondContact O-N 3.26Å
255	V	91.8	Very high	87.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.8	175.8	-171.2	0	0	0	0	108.7	M235 M237 I253 V257 V273 L298 A300	M235-V255 HydrophobicContact CE-CB 3.59Å; M235-V255 HydrophobicContact CE-CG1 3.32Å; M235-V255 HydrophobicContact CE-CG2 4.08Å; M235-V255 HydrophobicContact CG-CB 3.68Å; M235-V255 HydrophobicContact CG-CG1 4.31Å; M235-V255 HydrophobicContact CG-CG2 4.42Å; M235-V255 PolarHBondContact N-O 2.64Å; M235-V255 PolarHBondContact O-N 3.02Å; M237-V255 HydrophobicContact CB-CG2 4.19Å; I253-V255 HydrophobicContact CG2-CG2 4.18Å; V255-V257 HydrophobicContact CG1-CG2 4.44Å; V255-V273 HydrophobicContact CG1-CG1 4.07Å; V255-L298 CarbonylContact C-O 3.58Å; V255-L298 VanDerWaalsContact CA-O 3.29Å; V255-L298 WeakPolarHBondContact CA-O 3.28Å; V255-L298 HydrophobicContact CB-CB 4.44Å; V255-L298 HydrophobicContact CG1-CB 4.18Å; V255-L298 HydrophobicContact CG1-CD2 4.2Å; V255-L298 HydrophobicContact CG1-CG 4.46Å; V255-L298 WeakPolarHBondContact CG1-O 3.25Å; V255-L298 HydrophobicContact CG2-CB 4.14Å; V255-L298 HydrophobicContact CG2-CD2 4.16Å; V255-A300 HydrophobicContact CG1-CB 3.68Å
256	L	91.5	Very high	87.7	Confident	22 Å²	22	63 Å²	63	12%	0.115	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.8	173.6	-58.2	-171.9	0	0	0	108.5	F232 E234 T254 Y297 L298 A300	F232-L256 HydrophobicContact CE2-CB 4.12Å; F232-L256 HydrophobicContact CE2-CD1 4.09Å; F232-L256 HydrophobicContact CE2-CD2 3.91Å; F232-L256 HydrophobicContact CE2-CG 4.25Å; F232-L256 HydrophobicContact CZ-CD1 4.42Å; F232-L256 HydrophobicContact CZ-CD2 3.69Å; F232-L256 HydrophobicContact CZ-CG 4.49Å; E234-L256 HydrophobicContact CB-CD2 4.36Å; E234-L256 HydrophobicContact CG-CD2 4.07Å; T254-L256 HydrophobicContact CG2-CD2 4.19Å; L256-Y297 HydrophobicContact CB-CD2 4.1Å; L256-Y297 HydrophobicContact CB-CE2 4.49Å; L256-Y297 HydrophobicContact CD1-CD2 3.34Å; L256-Y297 HydrophobicContact CD1-CE2 3.52Å; L256-Y297 HydrophobicContact CD1-CG 4.05Å; L256-Y297 HydrophobicContact CG-CD2 3.54Å; L256-Y297 HydrophobicContact CG-CE2 4.15Å; L256-Y297 HydrophobicContact CG-CG 4.26Å; L256-L298 PolarHBondContact N-O 3.46Å; L256-A300 PolarHBondContact O-N 3.47Å
257	V	91.2	Very high	87.5	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.4	178.8	-172.6	0	0	0	0	107.6	Q233 M235 V255 N261 T262 A300 I303	Q233-V257 HydrophobicContact CB-CB 4.28Å; Q233-V257 PolarHBondContact N-O 2.81Å; Q233-V257 PolarHBondContact O-N 2.99Å; M235-V257 HydrophobicContact CE-CG2 3.61Å; M235-V257 HydrophobicContact CG-CG2 3.91Å; M235-V257 HydrophobicContact SD-CG2 3.7Å; V255-V257 HydrophobicContact CG1-CG2 4.44Å; V257-N261 VanDerWaalsContact CG1-C 3.47Å; V257-N261 HydrophobicContact CG1-CB 3.65Å; V257-N261 VanDerWaalsContact CG1-O 3.31Å; V257-N261 WeakPolarHBondContact CG1-O 3.43Å; V257-T262 HydrophobicContact CG1-CG2 4.11Å; V257-A300 HydrophobicContact CG2-CB 4.19Å; V257-I303 HydrophobicContact CB-CD1 4.48Å; V257-I303 HydrophobicContact CG1-CD1 3.83Å; V257-I303 HydrophobicContact CG2-CD1 3.76Å
258	E	89.2	Confident	87.1	Confident	29 Å²	29	56.5 Å²	56.5	14%	0.136	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.7	-178.5	-53.8	-163.2	178.1	0	0	109.1	Y137 K176 I230 K231 F232	Y137-E258 PolarHBondContact OH-O 3.49Å; K176-E258 IonicContact NZ-OE1 2.78Å; K176-E258 PolarHBondContact NZ-OE1 2.8Å; K176-E258 IonicContact NZ-OE2 2.82Å; K176-E258 PolarHBondContact NZ-OE2 2.87Å; I230-E258 HydrophobicContact CD1-CB 4.24Å; I230-E258 WeakPolarHBondContact CD1-OE2 3.41Å; K231-E258 CarbonylContact O-C 3.59Å; K231-E258 WeakPolarHBondContact O-CA 3.31Å; F232-E258 HydrophobicContact CD2-CG 4.03Å
259	G	87.3	Confident	86.8	Confident	5 Å²	5	52.9 Å²	52.9	5%	0.052	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	80.4	-140.3	172.5	0	0	0	0	0	115.8	E135 Y137 K231 N261 T262	E135-G259 WeakPolarHBondContact OE2-CA 3.19Å; Y137-G259 WeakPolarHBondContact OH-CA 3.22Å; K231-G259 PolarHBondContact O-N 2.84Å; G259-N261 VanDerWaalsContact C-N 3.27Å; G259-N261 PolarHBondContact O-N 3.33Å; G259-T262 VanDerWaalsContact O-CG2 3.32Å; G259-T262 WeakPolarHBondContact O-CG2 3.18Å; G259-T262 PolarHBondContact O-N 3.06Å; G259-T262 PolarHBondContact O-OG1 2.83Å
260	E	86.6	Confident	86.6	Confident	95 Å²	95	48.1 Å²	48.1	44%	0.444	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-71.5	-21.1	-175.5	-171.4	160.5	-161.5	0	0	112.7	A47 E135 Y137 T262	A47-E260 HydrophobicContact CB-CB 4.14Å; A47-E260 HydrophobicContact CB-CG 4.49Å; A47-E260 WeakPolarHBondContact CB-OE2 3.42Å; A47-E260 PolarHBondContact N-OE2 2.97Å; E135-E260 WeakPolarHBondContact OE1-CA 3.46Å; E135-E260 WeakPolarHBondContact OE1-CB 3.43Å; E135-E260 PolarHBondContact OE1-N 3.39Å; Y137-E260 PolarHBondContact OH-N 2.96Å; E260-T262 PolarHBondContact O-N 2.59Å
261	N	84.9	Confident	86.6	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.011	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-67.4	-5.9	175.4	-67.7	-19.9	0	0	0	114.2	Y49 Y137 V257 G259 I264 H301	Y49-N261 PolarHBondContact OH-OD1 3.34Å; Y137-N261 WeakPolarHBondContact CE1-ND2 3.38Å; V257-N261 VanDerWaalsContact CG1-C 3.47Å; V257-N261 HydrophobicContact CG1-CB 3.65Å; V257-N261 VanDerWaalsContact CG1-O 3.31Å; V257-N261 WeakPolarHBondContact CG1-O 3.43Å; G259-N261 VanDerWaalsContact C-N 3.27Å; G259-N261 PolarHBondContact O-N 3.33Å; N261-I264 HydrophobicContact CB-CD1 4.31Å; N261-I264 WeakPolarHBondContact O-CG1 3.29Å; N261-H301 VanDerWaalsContact ND2-C 3.28Å; N261-H301 PolarHBondContact ND2-O 2.95Å
262	T	87.4	Confident	86.6	Confident	13 Å²	13	39.5 Å²	39.5	8%	0.08	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	147	179.2	55.1	0	0	0	0	112	K231 Q233 V257 G259 E260 I264	K231-T262 HydrophobicContact CB-CG2 3.95Å; K231-T262 WeakPolarHBondContact CD-OG1 3.32Å; Q233-T262 HydrophobicContact CB-CG2 3.82Å; V257-T262 HydrophobicContact CG1-CG2 4.11Å; G259-T262 VanDerWaalsContact O-CG2 3.32Å; G259-T262 WeakPolarHBondContact O-CG2 3.18Å; G259-T262 PolarHBondContact O-N 3.06Å; G259-T262 PolarHBondContact O-OG1 2.83Å; E260-T262 PolarHBondContact O-N 2.59Å; T262-I264 PolarHBondContact O-N 3.46Å
263	R	86.3	Confident	86.7	Confident	195 Å²	195	35.5 Å²	35.5	74%	0.736	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	9.2	-178.5	-52.6	-179.8	174.7	-179.4	-3.3	116.4	V173	V173-R263 HydrophobicContact CG2-CG 3.57Å
264	I	85.4	Confident	86.8	Confident	60 Å²	60	35.4 Å²	35.4	31%	0.308	18%	0.183	S	C	.	.			trans	-69.8	-55.7	175	-61.5	176.5	0	0	0	109.9	N261 T262 I303 K305	N261-I264 HydrophobicContact CB-CD1 4.31Å; N261-I264 WeakPolarHBondContact O-CG1 3.29Å; T262-I264 PolarHBondContact O-N 3.46Å; I264-I303 HydrophobicContact CG2-CG2 4.43Å; I264-K305 WeakPolarHBondContact O-CE 3.44Å; I264-K305 PolarHBondContact O-NZ 3.38Å
265	A	84.2	Confident	86.8	Confident	9 Å²	9	33.7 Å²	33.7	7%	0.074	17%	0.173	C	C	.	.			trans	-83.9	140.5	-174.7	0	0	0	0	0	113.5	V167 M235 V271 I303	V167-A265 HydrophobicContact CG2-CB 4.04Å; M235-A265 HydrophobicContact SD-CB 4.43Å; A265-V271 HydrophobicContact CB-CG1 4.09Å; A265-I303 HydrophobicContact CB-CG2 4.3Å
266	Q	82.8	Confident	86.7	Confident	98 Å²	98	33.8 Å²	33.8	46%	0.458	17%	0.173	S	C	.	.			trans	-105.9	153.6	169.2	-64.5	177.9	-12.5	0	0	110	G268 D269 R400	Q266-G268 PolarHBondContact O-N 3.29Å; Q266-D269 WeakPolarHBondContact CB-OD2 3.4Å; Q266-D269 PolarHBondContact N-OD2 2.77Å; Q266-D269 VanDerWaalsContact N-OD2 3.12Å; Q266-D269 WeakPolarHBondContact O-CB 3.27Å; Q266-D269 PolarHBondContact O-N 3.32Å; Q266-R400 VanDerWaalsContact OE1-NH2 3.1Å
267	P	82.4	Confident	86.7	Confident	62 Å²	62	33.4 Å²	33.4	40%	0.403	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	135.8	168.5	-22.5	33.5	0	0	0	111.1	V170 D269	V170-P267 HydrophobicContact CB-CG 4.33Å; V170-P267 HydrophobicContact CG2-CG 4.12Å; P267-D269 VanDerWaalsContact C-N 3.33Å
268	G	76.3	Confident	86.6	Confident	36 Å²	36	34.1 Å²	34.1	37%	0.371	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-15.6	-176.2	0	0	0	0	0	114.5	V167 Q266	V167-G268 PolarHBondContact O-N 3.43Å; Q266-G268 PolarHBondContact O-N 3.29Å
269	D	82.2	Confident	86.5	Confident	13 Å²	13	35.2 Å²	35.2	7%	0.07	18%	0.183	C	C	.	.			trans	-70.8	136.8	177.4	-69.7	-14.7	0	0	0	110.3	V167 Q266 P267 V271 K305 R400	V167-D269 PolarHBondContact N-O 3.02Å; Q266-D269 WeakPolarHBondContact CB-OD2 3.4Å; Q266-D269 PolarHBondContact N-OD2 2.77Å; Q266-D269 VanDerWaalsContact N-OD2 3.12Å; Q266-D269 WeakPolarHBondContact O-CB 3.27Å; Q266-D269 PolarHBondContact O-N 3.32Å; P267-D269 VanDerWaalsContact C-N 3.33Å; D269-V271 HydrophobicContact CB-CG1 4.13Å; D269-K305 WeakPolarHBondContact OD2-CE 3.12Å; D269-K305 IonicContact OD2-NZ 3.48Å; D269-K305 PolarHBondContact OD2-NZ 2.81Å; D269-R400 IonicContact OD1-NH2 3.02Å
270	H	83.4	Confident	86.2	Confident	44 Å²	44	37.2 Å²	37.2	20%	0.204	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.4	166.2	-66.4	-101.8	0	0	0	108	H240 M306	H240-H270 AromaticContact CD2-CE1 3.52Å; H240-H270 AromaticContact CD2-ND1 3.49Å; H240-H270 PolarHBondContact CD2-ND1 2.89Å; H240-H270 AromaticContact NE2-CE1 3.29Å; H240-H270 PolarHBondContact NE2-CE1 3.24Å; H240-H270 VanDerWaalsContact NE2-CE1 3.29Å; H240-H270 AromaticContact NE2-ND1 3.64Å; H270-M306 WeakPolarHBondContact CB-O 3.5Å; H270-M306 PolarHBondContact O-N 3.29Å
271	V	87.5	Confident	85.4	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.8	-176.5	-60.8	0	0	0	0	111	G165 V167 M237 A265 D269 V273 I303 V304 K305	G165-V271 PolarHBondContact N-O 3.4Å; G165-V271 PolarHBondContact O-N 3.42Å; G165-V271 VanDerWaalsContact O-O 3.08Å; V167-V271 HydrophobicContact CG2-CB 4.23Å; V167-V271 HydrophobicContact CG2-CG1 3.82Å; V167-V271 HydrophobicContact CG2-CG2 3.33Å; M237-V271 HydrophobicContact SD-CG2 3.85Å; A265-V271 HydrophobicContact CB-CG1 4.09Å; D269-V271 HydrophobicContact CB-CG1 4.13Å; V271-V273 HydrophobicContact CB-CG2 4.47Å; V271-V273 HydrophobicContact CG2-CG2 3.86Å; V271-I303 HydrophobicContact CB-CG2 4.2Å; V271-I303 HydrophobicContact CG1-CG2 4.21Å; V271-V304 CarbonylContact C-O 3.41Å; V271-V304 WeakPolarHBondContact CA-O 3.47Å; V271-K305 HydrophobicContact CG1-CG 4.39Å
272	S	89.5	Confident	84.5	Confident	12 Å²	12	45 Å²	45	8%	0.084	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.7	163.7	-175.6	0	0	0	0	108.1	V163 V304	V163-S272 WeakPolarHBondContact O-CA 3.4Å; S272-V304 PolarHBondContact N-O 3.19Å; S272-V304 PolarHBondContact O-N 3.46Å
273	V	90.8	Very high	83.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.6	179.1	-174.8	0	0	0	0	108.7	T162 V163 M235 M237 V255 V271 L298 A300 R302 I303	T162-V273 WeakPolarHBondContact CA-O 3.48Å; V163-V273 HydrophobicContact CG2-CB 4.24Å; V163-V273 PolarHBondContact N-O 3.39Å; V163-V273 PolarHBondContact O-N 3.13Å; M235-V273 HydrophobicContact CE-CG1 4.26Å; M235-V273 HydrophobicContact CE-CG2 3.62Å; M237-V273 HydrophobicContact SD-CG2 4.03Å; V255-V273 HydrophobicContact CG1-CG1 4.07Å; V271-V273 HydrophobicContact CB-CG2 4.47Å; V271-V273 HydrophobicContact CG2-CG2 3.86Å; V273-L298 HydrophobicContact CB-CD2 4.17Å; V273-L298 HydrophobicContact CG1-CD2 3.79Å; V273-A300 HydrophobicContact CG1-CB 3.64Å; V273-R302 WeakPolarHBondContact CA-O 3.22Å; V273-I303 HydrophobicContact CG1-CG1 4.33Å; V273-I303 HydrophobicContact CG2-CG1 4.36Å; V273-I303 HydrophobicContact CG2-CG2 4.43Å
274	T	90.8	Very high	82	Confident	10 Å²	10	41.3 Å²	41.3	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126	166.2	-49.8	0	0	0	0	108.1	L160 T162 H301 R302	L160-T274 HydrophobicContact CD1-CG2 4.02Å; L160-T274 HydrophobicContact CD2-CG2 4.12Å; L160-T274 HydrophobicContact CG-CG2 3.96Å; T162-T274 HydrophobicContact CG2-CG2 3.83Å; T162-T274 WeakPolarHBondContact CG2-OG1 3.28Å; T274-H301 PolarHBondContact O-N 2.9Å; T274-R302 PolarHBondContact N-O 2.99Å; T274-R302 PolarHBondContact O-N 3.38Å; T274-R302 VanDerWaalsContact O-N 3.17Å
275	G	90.6	Very high	80.5	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	170.3	-177.1	0	0	0	0	0	114.6	V161 E299	V161-G275 PolarHBondContact N-O 2.95Å; V161-G275 PolarHBondContact O-N 3.11Å; V161-G275 VanDerWaalsContact O-O 3.12Å; G275-E299 CarbonylContact C-O 3.52Å; G275-E299 WeakPolarHBondContact CA-O 3.39Å
276	I	91.3	Very high	79.1	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.1	175.5	-52.2	172.7	0	0	0	108.2	A70 R71 L160 L278 L298 E299 H301	A70-I276 HydrophobicContact CB-CD1 3.53Å; A70-I276 HydrophobicContact CB-CG1 3.71Å; R71-I276 HydrophobicContact CB-CD1 4.22Å; L160-I276 HydrophobicContact CD1-CG1 4.04Å; I276-L278 HydrophobicContact CG2-CD1 4.3Å; I276-L278 HydrophobicContact CG2-CD2 4.09Å; I276-L278 HydrophobicContact CG2-CG 3.93Å; I276-L298 WeakPolarHBondContact O-CA 3.44Å; I276-E299 PolarHBondContact N-O 2.85Å; I276-E299 PolarHBondContact O-N 3.15Å; I276-H301 WeakPolarHBondContact CD1-NE2 3.47Å; I276-H301 WeakPolarHBondContact CG1-NE2 3.49Å
277	F	90.8	Very high	77.5	Confident	14 Å²	14	55.9 Å²	55.9	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.6	177.9	-174.6	-112.9	0	0	0	110.6	V152 V157 G158 K159 V161 I253 T296 L298	V152-F277 HydrophobicContact CG1-CB 4.48Å; V152-F277 HydrophobicContact CG1-CD1 3.85Å; V152-F277 HydrophobicContact CG1-CD2 3.94Å; V152-F277 HydrophobicContact CG1-CE1 3.95Å; V152-F277 HydrophobicContact CG1-CE2 4.02Å; V152-F277 HydrophobicContact CG1-CG 3.84Å; V152-F277 HydrophobicContact CG1-CZ 4.01Å; V157-F277 HydrophobicContact CG2-CD1 3.83Å; V157-F277 HydrophobicContact CG2-CE1 3.87Å; G158-F277 PolarHBondContact N-O 3.09Å; K159-F277 PolarHBondContact O-N 2.99Å; V161-F277 HydrophobicContact CG2-CB 4.16Å; I253-F277 HydrophobicContact CD1-CD2 3.99Å; I253-F277 HydrophobicContact CD1-CE2 3.72Å; F277-T296 HydrophobicContact CE1-CG2 3.98Å; F277-T296 VanDerWaalsContact CE2-CB 3.49Å; F277-T296 HydrophobicContact CE2-CG2 4.18Å; F277-T296 HydrophobicContact CZ-CG2 3.5Å; F277-T296 WeakPolarHBondContact CZ-OG1 3.46Å; F277-L298 HydrophobicContact CB-CD1 4.26Å
278	L	89.1	Confident	76	Confident	17 Å²	17	59.2 Å²	59.2	9%	0.089	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.4	-173.6	-67.6	171	0	0	0	111.8	I276 T296 Y297 E299	I276-L278 HydrophobicContact CG2-CD1 4.3Å; I276-L278 HydrophobicContact CG2-CD2 4.09Å; I276-L278 HydrophobicContact CG2-CG 3.93Å; L278-T296 WeakPolarHBondContact O-CA 3.39Å; L278-Y297 HydrophobicContact CB-CD1 4.16Å; L278-Y297 HydrophobicContact CB-CE1 3.57Å; L278-Y297 HydrophobicContact CB-CE2 4.42Å; L278-Y297 PolarHBondContact N-O 3.1Å; L278-Y297 WeakPolarHBondContact O-CD1 3.48Å; L278-Y297 PolarHBondContact O-N 3.39Å; L278-Y297 VanDerWaalsContact O-O 3.07Å; L278-E299 WeakPolarHBondContact CD1-OE2 3.42Å
279	P	87.9	Confident	75	Confident	51 Å²	51	63.5 Å²	63.5	33%	0.331	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	141.6	168	30.8	-32.2	0	0	0	111.4	V157 E295	V157-P279 HydrophobicContact CG1-CG 4.43Å; P279-E295 CarbonylContact C-O 3.51Å; P279-E295 WeakPolarHBondContact CA-O 3.35Å
280	I	80.6	Confident	73.4	Confident	47 Å²	47	65.7 Å²	65.7	24%	0.241	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.7	166.5	-52.1	-174.6	0	0	0	108.7	R282 E295 Y297	I280-R282 HydrophobicContact CG2-CG 4.35Å; I280-E295 PolarHBondContact N-O 3.19Å; I280-Y297 HydrophobicContact CB-CD1 4.39Å; I280-Y297 HydrophobicContact CB-CE1 4.5Å; I280-Y297 HydrophobicContact CD1-CD1 3.7Å; I280-Y297 HydrophobicContact CD1-CE1 4.26Å; I280-Y297 HydrophobicContact CD1-CG 4.04Å; I280-Y297 HydrophobicContact CG1-CD1 3.09Å; I280-Y297 HydrophobicContact CG1-CE1 3.43Å; I280-Y297 VanDerWaalsContact CG1-CE1 3.43Å; I280-Y297 HydrophobicContact CG1-CG 3.94Å
281	L	69.6	Low	72.2	Confident	139 Å²	139	66.6 Å²	66.6	73%	0.728	36%	0.36	S	S	*	.			trans	-92.8	105.9	165	-68.3	165.2	0	0	0	108.3
282	R	65.1	Low	71.2	Confident	121 Å²	121	75.3 Å²	75.3	46%	0.457	41%	0.406	S	S	.	.			trans	-79.8	125	169.9	-70	-165.4	-171	-142	8.4	109.5	I280 E295	I280-R282 HydrophobicContact CG2-CG 4.35Å; R282-E295 IonicContact CZ-OE2 3.32Å; R282-E295 IonicContact NE-OE1 3.61Å; R282-E295 IonicContact NE-OE2 2.83Å; R282-E295 PolarHBondContact NE-OE2 3.08Å; R282-E295 IonicContact NH2-OE1 3.33Å; R282-E295 IonicContact NH2-OE2 3.7Å; R282-E295 PolarHBondContact NH2-OE2 3.39Å
283	T	61.1	Low	69.9	Low	88 Å²	88	81.3 Å²	81.3	54%	0.54	44%	0.436	S	S	.	.			trans	-88.1	133.3	174.1	58.3	0	0	0	0	110.6	T199	T199-T283 PolarHBondContact OG1-OG1 3.06Å
284	G	61.6	Low	68.8	Low	43 Å²	43	84.4 Å²	84.4	44%	0.443	46%	0.457	S	S	.	.	S	Bend	trans	134.1	-167.6	169.2	0	0	0	0	0	115.5	R286 Q287	G284-R286 PolarHBondContact O-N 3.28Å; G284-Q287 WeakPolarHBondContact O-CB 3.47Å; G284-Q287 PolarHBondContact O-N 3.09Å
285	F	54	Low	68.2	Low	201 Å²	201	87.5 Å²	87.5	88%	0.882	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-21	-177	-97.4	-91.4	0	0	0	114.9	Q287	F285-Q287 VanDerWaalsContact C-N 3.31Å; F285-Q287 PolarHBondContact O-N 2.87Å
286	R	53.4	Low	67.9	Low	153 Å²	153	90.2 Å²	90.2	58%	0.577	49%	0.488	S	S	*	.	H	α-helix	trans	-69.9	-19.7	173.6	-103.5	-179.7	165.6	161.7	-5.3	114.2	G284 V288 V289 Q290	G284-R286 PolarHBondContact O-N 3.28Å; R286-V288 VanDerWaalsContact C-N 3.28Å; R286-V288 PolarHBondContact O-N 3.22Å; R286-V289 PolarHBondContact O-N 2.95Å; R286-Q290 WeakPolarHBondContact O-CB 3.31Å; R286-Q290 PolarHBondContact O-N 3.35Å
287	Q	49.2	Very low	67.9	Low	120 Å²	120	91.9 Å²	91.9	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-62.8	-32.5	175.1	-85.8	177.9	-52	0	0	113	G284 F285 V289 G291	G284-Q287 WeakPolarHBondContact O-CB 3.47Å; G284-Q287 PolarHBondContact O-N 3.09Å; F285-Q287 VanDerWaalsContact C-N 3.31Å; F285-Q287 PolarHBondContact O-N 2.87Å; Q287-V289 VanDerWaalsContact C-N 3.28Å; Q287-V289 PolarHBondContact O-N 2.94Å; Q287-G291 PolarHBondContact O-N 2.99Å
288	V	52.3	Low	67.9	Low	131 Å²	131	91.2 Å²	91.2	79%	0.794	49%	0.492	S	S	*	.	H	α-helix	trans	-70.7	-28.2	178.5	-178.7	0	0	0	0	111.4	R286	R286-V288 VanDerWaalsContact C-N 3.28Å; R286-V288 PolarHBondContact O-N 3.22Å
289	V	53.7	Low	68	Low	127 Å²	127	92.8 Å²	92.8	77%	0.77	50%	0.498	S	S	*	.	H	α-helix	trans	-93.7	-22.9	-178	-176.9	0	0	0	0	112.3	R286 Q287	R286-V289 PolarHBondContact O-N 2.95Å; Q287-V289 VanDerWaalsContact C-N 3.28Å; Q287-V289 PolarHBondContact O-N 2.94Å
290	Q	50.2	Low	68.2	Low	59 Å²	59	90.5 Å²	90.5	28%	0.276	48%	0.484	S	S	.	.	H	α-helix	trans	-107.1	-7.8	-172.8	-92.2	-174.9	-43.1	0	0	117.2	R286 L293	R286-Q290 WeakPolarHBondContact O-CB 3.31Å; R286-Q290 PolarHBondContact O-N 3.35Å; Q290-L293 VanDerWaalsContact O-CB 3.31Å; Q290-L293 WeakPolarHBondContact O-CB 3.44Å; Q290-L293 WeakPolarHBondContact O-CD1 3.32Å; Q290-L293 PolarHBondContact O-N 3.42Å
291	G	57.7	Low	68.5	Low	63 Å²	63	88.7 Å²	88.7	65%	0.649	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-147.8	179.5	0	0	0	0	0	113.5	Q287 L293	Q287-G291 PolarHBondContact O-N 2.99Å; G291-L293 PolarHBondContact O-N 3.02Å
292	L	65.3	Low	69.4	Low	185 Å²	185	85.4 Å²	85.4	97%	0.969	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	7.5	177.7	-73.2	161.4	0	0	0	114.3	S294	L292-S294 PolarHBondContact O-N 3.13Å
293	L	63.4	Low	70.5	Confident	138 Å²	138	80.3 Å²	80.3	72%	0.723	43%	0.434	S	S	*	.			trans	-71.3	103.6	177.6	-74.4	146.2	0	0	0	109.4	Q290 G291	Q290-L293 VanDerWaalsContact O-CB 3.31Å; Q290-L293 WeakPolarHBondContact O-CB 3.44Å; Q290-L293 WeakPolarHBondContact O-CD1 3.32Å; Q290-L293 PolarHBondContact O-N 3.42Å; G291-L293 PolarHBondContact O-N 3.02Å
294	S	67.7	Low	71.7	Confident	64 Å²	64	78.9 Å²	78.9	45%	0.448	43%	0.425	S	S	.	.			trans	-90	126	172.7	39.8	0	0	0	0	109.9	L292	L292-S294 PolarHBondContact O-N 3.13Å
295	E	77	Confident	72.8	Confident	75 Å²	75	79.9 Å²	79.9	35%	0.35	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	141.2	162.9	-71.9	178.5	173.8	0	0	108.1	P279 I280 R282	P279-E295 CarbonylContact C-O 3.51Å; P279-E295 WeakPolarHBondContact CA-O 3.35Å; I280-E295 PolarHBondContact N-O 3.19Å; R282-E295 IonicContact CZ-OE2 3.32Å; R282-E295 IonicContact NE-OE1 3.61Å; R282-E295 IonicContact NE-OE2 2.83Å; R282-E295 PolarHBondContact NE-OE2 3.08Å; R282-E295 IonicContact NH2-OE1 3.33Å; R282-E295 IonicContact NH2-OE2 3.7Å; R282-E295 PolarHBondContact NH2-OE2 3.39Å
296	T	86.2	Confident	73.6	Confident	58 Å²	58	72.6 Å²	72.6	36%	0.356	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	149.9	-178.5	53	0	0	0	0	110.7	F277 L278	F277-T296 HydrophobicContact CE1-CG2 3.98Å; F277-T296 VanDerWaalsContact CE2-CB 3.49Å; F277-T296 HydrophobicContact CE2-CG2 4.18Å; F277-T296 HydrophobicContact CZ-CG2 3.5Å; F277-T296 WeakPolarHBondContact CZ-OG1 3.46Å; L278-T296 WeakPolarHBondContact O-CA 3.39Å
297	Y	90.7	Very high	73.9	Confident	36 Å²	36	68.5 Å²	68.5	14%	0.141	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	159.8	174.8	73.1	-72.5	0	0	0	109.9	T254 L256 L278 I280 E299	T254-Y297 VanDerWaalsContact O-CA 3.28Å; T254-Y297 WeakPolarHBondContact O-CA 3.34Å; L256-Y297 HydrophobicContact CB-CD2 4.1Å; L256-Y297 HydrophobicContact CB-CE2 4.49Å; L256-Y297 HydrophobicContact CD1-CD2 3.34Å; L256-Y297 HydrophobicContact CD1-CE2 3.52Å; L256-Y297 HydrophobicContact CD1-CG 4.05Å; L256-Y297 HydrophobicContact CG-CD2 3.54Å; L256-Y297 HydrophobicContact CG-CE2 4.15Å; L256-Y297 HydrophobicContact CG-CG 4.26Å; L278-Y297 HydrophobicContact CB-CD1 4.16Å; L278-Y297 HydrophobicContact CB-CE1 3.57Å; L278-Y297 HydrophobicContact CB-CE2 4.42Å; L278-Y297 PolarHBondContact N-O 3.1Å; L278-Y297 WeakPolarHBondContact O-CD1 3.48Å; L278-Y297 PolarHBondContact O-N 3.39Å; L278-Y297 VanDerWaalsContact O-O 3.07Å; I280-Y297 HydrophobicContact CB-CD1 4.39Å; I280-Y297 HydrophobicContact CB-CE1 4.5Å; I280-Y297 HydrophobicContact CD1-CD1 3.7Å; I280-Y297 HydrophobicContact CD1-CE1 4.26Å; I280-Y297 HydrophobicContact CD1-CG 4.04Å; I280-Y297 HydrophobicContact CG1-CD1 3.09Å; I280-Y297 HydrophobicContact CG1-CE1 3.43Å; I280-Y297 VanDerWaalsContact CG1-CE1 3.43Å; I280-Y297 HydrophobicContact CG1-CG 3.94Å; Y297-E299 HydrophobicContact CE2-CB 4.15Å
298	L	90.8	Very high	74.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.1	171.9	-170.6	77	0	0	0	109	V161 V163 I253 T254 V255 L256 V273 I276 F277	V161-L298 HydrophobicContact CG2-CD1 3.64Å; V163-L298 HydrophobicContact CG2-CD2 3.4Å; I253-L298 HydrophobicContact CD1-CB 4.26Å; T254-L298 PolarHBondContact O-N 3.26Å; V255-L298 CarbonylContact C-O 3.58Å; V255-L298 VanDerWaalsContact CA-O 3.29Å; V255-L298 WeakPolarHBondContact CA-O 3.28Å; V255-L298 HydrophobicContact CB-CB 4.44Å; V255-L298 HydrophobicContact CG1-CB 4.18Å; V255-L298 HydrophobicContact CG1-CD2 4.2Å; V255-L298 HydrophobicContact CG1-CG 4.46Å; V255-L298 WeakPolarHBondContact CG1-O 3.25Å; V255-L298 HydrophobicContact CG2-CB 4.14Å; V255-L298 HydrophobicContact CG2-CD2 4.16Å; L256-L298 PolarHBondContact N-O 3.46Å; V273-L298 HydrophobicContact CB-CD2 4.17Å; V273-L298 HydrophobicContact CG1-CD2 3.79Å; I276-L298 WeakPolarHBondContact O-CA 3.44Å; F277-L298 HydrophobicContact CB-CD1 4.26Å
299	E	91.4	Very high	73.9	Confident	49 Å²	49	62.6 Å²	62.6	23%	0.229	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.3	170.5	-173.1	176.7	174.4	0	0	108.7	G275 I276 L278 Y297	G275-E299 CarbonylContact C-O 3.52Å; G275-E299 WeakPolarHBondContact CA-O 3.39Å; I276-E299 PolarHBondContact N-O 2.85Å; I276-E299 PolarHBondContact O-N 3.15Å; L278-E299 WeakPolarHBondContact CD1-OE2 3.42Å; Y297-E299 HydrophobicContact CE2-CB 4.15Å
300	A	90.9	Very high	73.3	Confident	4 Å²	4	62 Å²	62	3%	0.033	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.1	-172.7	0	0	0	0	0	112.5	V255 L256 V257 V273 I303	V255-A300 HydrophobicContact CG1-CB 3.68Å; L256-A300 PolarHBondContact O-N 3.47Å; V257-A300 HydrophobicContact CG2-CB 4.19Å; V273-A300 HydrophobicContact CG1-CB 3.64Å; A300-I303 HydrophobicContact CB-CD1 4.46Å; A300-I303 HydrophobicContact CB-CG1 4.3Å
301	H	88	Confident	72.8	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.037	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-35.7	170.5	-73	-95.8	0	0	0	112.6	Y137 N261 T274 I276	Y137-H301 VanDerWaalsContact CB-O 3.27Å; Y137-H301 WeakPolarHBondContact CB-O 3.46Å; Y137-H301 HydrophobicContact CD1-CB 4.18Å; Y137-H301 AromaticContact CD1-ND1 3.93Å; Y137-H301 WeakPolarHBondContact CD1-O 3.39Å; Y137-H301 VanDerWaalsContact CG-O 3.28Å; N261-H301 VanDerWaalsContact ND2-C 3.28Å; N261-H301 PolarHBondContact ND2-O 2.95Å; T274-H301 PolarHBondContact O-N 2.9Å; I276-H301 WeakPolarHBondContact CD1-NE2 3.47Å; I276-H301 WeakPolarHBondContact CG1-NE2 3.49Å
302	R	88.1	Confident	72	Confident	71 Å²	71	65.9 Å²	65.9	27%	0.268	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	134.9	177.7	-171.4	175.3	177.6	142.9	-17.6	110.7	V273 T274 V304	V273-R302 WeakPolarHBondContact CA-O 3.22Å; T274-R302 PolarHBondContact N-O 2.99Å; T274-R302 PolarHBondContact O-N 3.38Å; T274-R302 VanDerWaalsContact O-N 3.17Å; R302-V304 HydrophobicContact CG-CG2 4.08Å
303	I	88	Confident	71	Confident	13 Å²	13	65.7 Å²	65.7	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.6	176	-55.8	170.9	0	0	0	106.9	M235 V257 I264 A265 V271 V273 A300	M235-I303 HydrophobicContact CE-CD1 3.72Å; M235-I303 HydrophobicContact CE-CG1 4.16Å; M235-I303 HydrophobicContact SD-CD1 4.21Å; V257-I303 HydrophobicContact CB-CD1 4.48Å; V257-I303 HydrophobicContact CG1-CD1 3.83Å; V257-I303 HydrophobicContact CG2-CD1 3.76Å; I264-I303 HydrophobicContact CG2-CG2 4.43Å; A265-I303 HydrophobicContact CB-CG2 4.3Å; V271-I303 HydrophobicContact CB-CG2 4.2Å; V271-I303 HydrophobicContact CG1-CG2 4.21Å; V273-I303 HydrophobicContact CG1-CG1 4.33Å; V273-I303 HydrophobicContact CG2-CG1 4.36Å; V273-I303 HydrophobicContact CG2-CG2 4.43Å; A300-I303 HydrophobicContact CB-CD1 4.46Å; A300-I303 HydrophobicContact CB-CG1 4.3Å
304	V	86.7	Confident	70	Confident	59 Å²	59	62.1 Å²	62.1	36%	0.358	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.7	173.3	-178.9	0	0	0	0	107.6	V271 S272 R302	V271-V304 CarbonylContact C-O 3.41Å; V271-V304 WeakPolarHBondContact CA-O 3.47Å; S272-V304 PolarHBondContact N-O 3.19Å; S272-V304 PolarHBondContact O-N 3.46Å; R302-V304 HydrophobicContact CG-CG2 4.08Å
305	K	84.1	Confident	68.7	Low	63 Å²	63	63 Å²	63	27%	0.274	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.5	171	-62.8	-172	-178.7	-153.6	0	108.6	I264 D269 V271	I264-K305 WeakPolarHBondContact O-CE 3.44Å; I264-K305 PolarHBondContact O-NZ 3.38Å; D269-K305 WeakPolarHBondContact OD2-CE 3.12Å; D269-K305 IonicContact OD2-NZ 3.48Å; D269-K305 PolarHBondContact OD2-NZ 2.81Å; V271-K305 HydrophobicContact CG1-CG 4.39Å
306	M	71.8	Confident	66.9	Low	49 Å²	49	63.3 Å²	63.3	24%	0.241	36%	0.355	C	S	.	.			trans	-112.2	85.4	175.6	-72	-172.7	167.2	0	0	107.9	R164 H270 K308	R164-M306 HydrophobicContact CG-SD 4.07Å; R164-M306 PolarHBondContact NE-SD 3.43Å; R164-M306 VanDerWaalsContact NE-SD 3.37Å; H270-M306 WeakPolarHBondContact CB-O 3.5Å; H270-M306 PolarHBondContact O-N 3.29Å; M306-K308 PolarHBondContact O-N 2.98Å
307	N	58.3	Low	65.2	Low	67 Å²	67	64.1 Å²	64.1	36%	0.358	38%	0.375	S	S	.	.			trans	-73	100.9	175.8	-65.1	-37	0	0	0	110.1	S309 D312	N307-S309 PolarHBondContact O-N 2.71Å; N307-D312 VanDerWaalsContact CB-OD2 3.25Å; N307-D312 WeakPolarHBondContact CB-OD2 3.27Å; N307-D312 VanDerWaalsContact CG-OD2 3.31Å; N307-D312 PolarHBondContact ND2-OD2 3.3Å
308	K	56.7	Low	63.1	Low	86 Å²	86	71.4 Å²	71.4	37%	0.374	41%	0.41	S	S	.	.	S	Bend	trans	40.1	3.8	166.1	-108.6	174.8	177.5	177.3	0	120	M306 D395	M306-K308 PolarHBondContact O-N 2.98Å; K308-D395 PolarHBondContact NZ-O 3.5Å; K308-D395 IonicContact NZ-OD2 2.82Å
309	S	44.8	Very low	61.4	Low	41 Å²	41	72.6 Å²	72.6	29%	0.287	42%	0.416	S	S	.	.	S	Bend	trans	-171.9	127.4	169.9	45.4	0	0	0	0	108.6	N307 R560	N307-S309 PolarHBondContact O-N 2.71Å; S309-R560 PolarHBondContact OG-NH1 3.34Å
310	E	42.8	Very low	59.8	Low	113 Å²	113	72.9 Å²	72.9	53%	0.528	42%	0.424	S	S	.	.	S	Bend	trans	-49.9	143	-178.3	-58.7	-178.4	155.1	0	0	112.1	R164	R164-E310 IonicContact CZ-OE1 2.99Å; R164-E310 IonicContact NH1-OE1 3.47Å; R164-E310 PolarHBondContact NH1-OE1 3.4Å; R164-E310 IonicContact NH2-OE1 3.62Å; R164-E310 PolarHBondContact NH2-OE1 2.89Å
311	D	39	Very low	58.3	Low	116 Å²	116	82.5 Å²	82.5	62%	0.62	46%	0.459	S	S	*	.			trans	89.2	56.5	-178	-48.6	-32.2	0	0	0	118	E313	D311-E313 PolarHBondContact O-N 3.33Å; D311-E313 VanDerWaalsContact O-N 3.1Å
312	D	41.5	Very low	57.1	Low	88 Å²	88	88.6 Å²	88.6	47%	0.471	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-71.8	25.5	156	-91.6	-15.8	0	0	0	112.4	N307 S314	N307-D312 VanDerWaalsContact CB-OD2 3.25Å; N307-D312 WeakPolarHBondContact CB-OD2 3.27Å; N307-D312 VanDerWaalsContact CG-OD2 3.31Å; N307-D312 PolarHBondContact ND2-OD2 3.3Å; D312-S314 PolarHBondContact O-N 3.07Å
313	E	44.2	Very low	56.1	Low	182 Å²	182	87.7 Å²	87.7	85%	0.85	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-70.1	-4.6	157.9	-82.2	-157.7	157.1	0	0	112.2	D311 G315	D311-E313 PolarHBondContact O-N 3.33Å; D311-E313 VanDerWaalsContact O-N 3.1Å; E313-G315 VanDerWaalsContact C-N 3.26Å; E313-G315 PolarHBondContact O-N 3.28Å
314	S	40.8	Very low	55	Low	63 Å²	63	90.4 Å²	90.4	44%	0.441	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-91.1	34.1	170.5	-51.3	0	0	0	0	113.6	D312 A316 R561	D312-S314 PolarHBondContact O-N 3.07Å; S314-A316 PolarHBondContact O-N 3.01Å; S314-R561 PolarHBondContact OG-NH2 3.25Å
315	G	40.1	Very low	54	Low	81 Å²	81	96.4 Å²	96.4	84%	0.835	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-70.4	-3.7	160.2	0	0	0	0	0	113.7	E313	E313-G315 VanDerWaalsContact C-N 3.26Å; E313-G315 PolarHBondContact O-N 3.28Å
316	A	41	Very low	53.1	Low	83 Å²	83	98.9 Å²	98.9	69%	0.686	53%	0.529	S	S	*	.	S	Bend	trans	-117.4	107.2	169.5	0	0	0	0	0	108.6	S314 E318	S314-A316 PolarHBondContact O-N 3.01Å; A316-E318 PolarHBondContact O-N 3.47Å
317	G	49	Very low	52.9	Low	75 Å²	75	97.5 Å²	97.5	77%	0.773	52%	0.523	S	S	*	.			trans	-63	130.3	178.1	0	0	0	0	0	112.2
318	E	48	Very low	53	Low	189 Å²	189	98.1 Å²	98.1	88%	0.883	54%	0.538	S	S	*	.			trans	-165.1	112	131.9	-101.1	174.8	-154.9	0	0	104.8	A316 S320	A316-E318 PolarHBondContact O-N 3.47Å; E318-S320 PolarHBondContact O-N 2.89Å
319	L	54.9	Low	53.5	Low	24 Å²	24	99.3 Å²	99.3	13%	0.126	54%	0.544	C	S	.	.			trans	-56.6	138.3	165.6	-66	-177.3	0	0	0	107.1	R321 E323 L324 I327 R561 Y562 M565	L319-R321 PolarHBondContact O-N 3.41Å; L319-E323 WeakPolarHBondContact CA-OE2 3.27Å; L319-E323 HydrophobicContact CB-CB 4.39Å; L319-L324 HydrophobicContact CB-CD1 4.48Å; L319-L324 HydrophobicContact CB-CD2 4.36Å; L319-L324 HydrophobicContact CB-CG 4.02Å; L319-L324 HydrophobicContact CD1-CD2 4.14Å; L319-I327 HydrophobicContact CD1-CD1 3.83Å; L319-R561 HydrophobicContact CD2-CB 4.2Å; L319-Y562 HydrophobicContact CD1-CD2 4.38Å; L319-M565 HydrophobicContact CD1-SD 4.04Å; L319-M565 HydrophobicContact CG-SD 4.43Å
320	S	58	Low	54	Low	55 Å²	55	105.9 Å²	105.9	39%	0.385	57%	0.571	S	S	.	*			trans	-54.6	141.6	176.3	176.1	0	0	0	0	108.4	E318 E322 E323 L324	E318-S320 PolarHBondContact O-N 2.89Å; S320-E322 PolarHBondContact O-N 2.74Å; S320-E322 PolarHBondContact OG-N 3.44Å; S320-E323 PolarHBondContact N-OE2 3.31Å; S320-E323 VanDerWaalsContact N-OE2 3.09Å; S320-E323 WeakPolarHBondContact O-CB 3.16Å; S320-E323 PolarHBondContact O-N 3.5Å; S320-L324 PolarHBondContact O-N 3.41Å; S320-L324 VanDerWaalsContact O-N 3.12Å
321	R	59.6	Low	55.3	Low	206 Å²	206	106 Å²	106	78%	0.777	58%	0.575	S	S	*	*	H	α-helix	trans	-53.5	-20.6	176.3	-71.2	-179.7	175.6	-177.8	-1.3	112.4	L319 R325	L319-R321 PolarHBondContact O-N 3.41Å; R321-R325 VanDerWaalsContact O-CG 3.3Å; R321-R325 WeakPolarHBondContact O-CG 3.37Å; R321-R325 PolarHBondContact O-N 3.16Å
322	E	62.1	Low	57.1	Low	136 Å²	136	101.9 Å²	101.9	64%	0.636	55%	0.551	S	S	*	*	H	α-helix	trans	-77.2	-40.3	175.4	-61.8	175.1	172.4	0	0	112.8	S320 R325 Q326	S320-E322 PolarHBondContact O-N 2.74Å; S320-E322 PolarHBondContact OG-N 3.44Å; E322-R325 WeakPolarHBondContact O-CB 3.05Å; E322-R325 PolarHBondContact O-N 2.75Å; E322-Q326 PolarHBondContact O-N 2.96Å; E322-Q326 VanDerWaalsContact O-N 3.16Å
323	E	66.2	Low	59.1	Low	52 Å²	52	100.1 Å²	100.1	24%	0.243	54%	0.539	C	S	.	.	H	α-helix	trans	-66.6	-40.3	174.8	-63.9	172.9	153.7	0	0	110.3	L319 S320 R325 Q326 I327 L558	L319-E323 WeakPolarHBondContact CA-OE2 3.27Å; L319-E323 HydrophobicContact CB-CB 4.39Å; S320-E323 PolarHBondContact N-OE2 3.31Å; S320-E323 VanDerWaalsContact N-OE2 3.09Å; S320-E323 WeakPolarHBondContact O-CB 3.16Å; S320-E323 PolarHBondContact O-N 3.5Å; E323-R325 VanDerWaalsContact C-N 3.26Å; E323-R325 PolarHBondContact O-N 2.99Å; E323-Q326 PolarHBondContact O-N 3.12Å; E323-I327 WeakPolarHBondContact O-CD1 3.31Å; E323-I327 VanDerWaalsContact O-CG1 3.25Å; E323-I327 WeakPolarHBondContact O-CG1 2.76Å; E323-I327 PolarHBondContact O-N 3.32Å; E323-L558 HydrophobicContact CG-CD1 4.38Å
324	L	65.6	Low	61	Low	71 Å²	71	95.6 Å²	95.6	37%	0.372	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-30.5	173.3	-72.8	169.5	0	0	0	112.8	L319 S320 I327 A328	L319-L324 HydrophobicContact CB-CD1 4.48Å; L319-L324 HydrophobicContact CB-CD2 4.36Å; L319-L324 HydrophobicContact CB-CG 4.02Å; L319-L324 HydrophobicContact CD1-CD2 4.14Å; S320-L324 PolarHBondContact O-N 3.41Å; S320-L324 VanDerWaalsContact O-N 3.12Å; L324-I327 HydrophobicContact CD2-CD1 4.4Å; L324-I327 PolarHBondContact O-N 2.73Å; L324-A328 VanDerWaalsContact O-CB 3.32Å; L324-A328 WeakPolarHBondContact O-CB 3.48Å; L324-A328 PolarHBondContact O-N 2.79Å
325	R	65.8	Low	63	Low	184 Å²	184	94.1 Å²	94.1	69%	0.694	50%	0.503	S	S	*	.	H	α-helix	trans	-71.4	-38.3	174.4	-78.5	172.1	-174.4	177.8	2.4	112.3	R321 E322 E323 I327 A328	R321-R325 VanDerWaalsContact O-CG 3.3Å; R321-R325 WeakPolarHBondContact O-CG 3.37Å; R321-R325 PolarHBondContact O-N 3.16Å; E322-R325 WeakPolarHBondContact O-CB 3.05Å; E322-R325 PolarHBondContact O-N 2.75Å; E323-R325 VanDerWaalsContact C-N 3.26Å; E323-R325 PolarHBondContact O-N 2.99Å; R325-I327 VanDerWaalsContact C-N 3.26Å; R325-I327 PolarHBondContact O-N 3.03Å; R325-A328 PolarHBondContact O-N 3.32Å
326	Q	65.9	Low	65.2	Low	115 Å²	115	90.3 Å²	90.3	54%	0.537	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-33.1	173	-68.3	177.6	-6.4	0	0	111.6	E322 E323	E322-Q326 PolarHBondContact O-N 2.96Å; E322-Q326 VanDerWaalsContact O-N 3.16Å; E323-Q326 PolarHBondContact O-N 3.12Å
327	I	66.3	Low	67.4	Low	20 Å²	20	86.5 Å²	86.5	10%	0.103	43%	0.432	C	S	.	.	H	α-helix	trans	-72.3	-33	175.1	-67.5	160.7	0	0	0	111.9	L319 E323 L324 R325 E329 F332 Y562	L319-I327 HydrophobicContact CD1-CD1 3.83Å; E323-I327 WeakPolarHBondContact O-CD1 3.31Å; E323-I327 VanDerWaalsContact O-CG1 3.25Å; E323-I327 WeakPolarHBondContact O-CG1 2.76Å; E323-I327 PolarHBondContact O-N 3.32Å; L324-I327 HydrophobicContact CD2-CD1 4.4Å; L324-I327 PolarHBondContact O-N 2.73Å; R325-I327 VanDerWaalsContact C-N 3.26Å; R325-I327 PolarHBondContact O-N 3.03Å; I327-E329 PolarHBondContact O-N 2.78Å; I327-F332 HydrophobicContact CB-CD2 4.37Å; I327-F332 HydrophobicContact CB-CE2 4.02Å; I327-F332 HydrophobicContact CB-CZ 4.41Å; I327-F332 HydrophobicContact CG1-CE2 3.82Å; I327-F332 HydrophobicContact CG1-CZ 4.15Å; I327-F332 HydrophobicContact CG2-CD1 4.39Å; I327-F332 HydrophobicContact CG2-CD2 4.09Å; I327-F332 HydrophobicContact CG2-CE1 4.08Å; I327-F332 HydrophobicContact CG2-CE2 3.78Å; I327-F332 HydrophobicContact CG2-CG 4.37Å; I327-F332 HydrophobicContact CG2-CZ 3.76Å; I327-F332 WeakPolarHBondContact O-CD2 3.43Å; I327-Y562 HydrophobicContact CD1-CD2 3.63Å; I327-Y562 HydrophobicContact CD1-CE2 3.93Å; I327-Y562 HydrophobicContact CG1-CD2 4.36Å; I327-Y562 HydrophobicContact CG1-CE2 4.4Å; I327-Y562 HydrophobicContact CG2-CD2 4.46Å; I327-Y562 HydrophobicContact CG2-CE2 3.7Å
328	A	60.8	Low	69.1	Low	81 Å²	81	85.2 Å²	85.2	67%	0.669	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	1.9	-175.5	0	0	0	0	0	115	L324 R325	L324-A328 VanDerWaalsContact O-CB 3.32Å; L324-A328 WeakPolarHBondContact O-CB 3.48Å; L324-A328 PolarHBondContact O-N 2.79Å; R325-A328 PolarHBondContact O-N 3.32Å
329	E	66.8	Low	70.9	Confident	111 Å²	111	76.4 Å²	76.4	52%	0.519	37%	0.374	S	S	.	.	S	Bend	trans	-68.2	143.5	172.4	-65.3	-178.6	174.8	0	0	111.2	I327 K335	I327-E329 PolarHBondContact O-N 2.78Å; E329-K335 IonicContact OE2-NZ 2.99Å; E329-K335 PolarHBondContact OE2-NZ 3.4Å
330	E	56.6	Low	72.4	Confident	179 Å²	179	75.3 Å²	75.3	84%	0.836	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	144	173.4	-61.7	-177.4	174.4	0	0	109.8	K335	E330-K335 PolarHBondContact O-NZ 3.32Å
331	D	68.6	Low	73.7	Confident	114 Å²	114	72.8 Å²	72.8	61%	0.61	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	27.4	-173.4	-51.8	-32.6	0	0	0	118.1	Y333 E334 K335	D331-Y333 PolarHBondContact O-N 3.28Å; D331-E334 PolarHBondContact O-N 2.81Å; D331-K335 WeakPolarHBondContact O-CG 3.48Å; D331-K335 PolarHBondContact O-N 3.42Å; D331-K335 VanDerWaalsContact O-N 3.11Å
332	F	76.8	Confident	74.8	Confident	30 Å²	30	64 Å²	64	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-36.3	178.4	-179.7	-105.1	0	0	0	115.3	I327 E334 K335 L336 L554 Y562	I327-F332 HydrophobicContact CB-CD2 4.37Å; I327-F332 HydrophobicContact CB-CE2 4.02Å; I327-F332 HydrophobicContact CB-CZ 4.41Å; I327-F332 HydrophobicContact CG1-CE2 3.82Å; I327-F332 HydrophobicContact CG1-CZ 4.15Å; I327-F332 HydrophobicContact CG2-CD1 4.39Å; I327-F332 HydrophobicContact CG2-CD2 4.09Å; I327-F332 HydrophobicContact CG2-CE1 4.08Å; I327-F332 HydrophobicContact CG2-CE2 3.78Å; I327-F332 HydrophobicContact CG2-CG 4.37Å; I327-F332 HydrophobicContact CG2-CZ 3.76Å; I327-F332 WeakPolarHBondContact O-CD2 3.43Å; F332-E334 VanDerWaalsContact C-N 3.31Å; F332-E334 PolarHBondContact O-N 3.49Å; F332-K335 PolarHBondContact O-N 3.08Å; F332-L336 HydrophobicContact CD1-CD1 3.85Å; F332-L336 HydrophobicContact CD1-CG 4.28Å; F332-L336 HydrophobicContact CD2-CG 4.41Å; F332-L336 HydrophobicContact CE1-CD1 3.09Å; F332-L336 HydrophobicContact CE1-CG 3.72Å; F332-L336 HydrophobicContact CE2-CD1 4.15Å; F332-L336 HydrophobicContact CE2-CD2 4.22Å; F332-L336 HydrophobicContact CE2-CG 3.86Å; F332-L336 HydrophobicContact CZ-CD1 3.29Å; F332-L336 HydrophobicContact CZ-CD2 3.88Å; F332-L336 HydrophobicContact CZ-CG 3.5Å; F332-L336 VanDerWaalsContact CZ-CG 3.5Å; F332-L336 PolarHBondContact O-N 2.81Å; F332-L554 HydrophobicContact CE2-CD1 4.28Å; F332-Y562 HydrophobicContact CE1-CD1 4.08Å; F332-Y562 AromaticContact CE1-CE1 3.26Å; F332-Y562 HydrophobicContact CE1-CE1 3.26Å; F332-Y562 HydrophobicContact CE1-CE2 4.14Å; F332-Y562 AromaticContact CE1-CZ 3.29Å; F332-Y562 VanDerWaalsContact CE1-OH 3.3Å; F332-Y562 WeakPolarHBondContact CE1-OH 3.47Å; F332-Y562 AromaticContact CZ-CD1 3.82Å; F332-Y562 HydrophobicContact CZ-CD1 3.82Å; F332-Y562 HydrophobicContact CZ-CD2 4.31Å; F332-Y562 AromaticContact CZ-CE1 3.46Å; F332-Y562 HydrophobicContact CZ-CE1 3.46Å; F332-Y562 VanDerWaalsContact CZ-CE1 3.46Å; F332-Y562 AromaticContact CZ-CE2 3.98Å; F332-Y562 HydrophobicContact CZ-CE2 3.98Å; F332-Y562 HydrophobicContact CZ-CG 4.23Å; F332-Y562 AromaticContact CZ-CZ 3.53Å
333	Y	83.4	Confident	75.8	Confident	52 Å²	52	62 Å²	62	20%	0.204	31%	0.31	C	S	.	.	H	α-helix	trans	-61.4	-39.8	177.9	175.7	-119.5	0	0	0	112.2	D331 A337 K352 L355 L616 L619 E632	D331-Y333 PolarHBondContact O-N 3.28Å; Y333-A337 WeakPolarHBondContact O-CB 3.43Å; Y333-A337 PolarHBondContact O-N 2.78Å; Y333-A337 VanDerWaalsContact O-N 3.08Å; Y333-K352 HydrophobicContact CE1-CD 3.71Å; Y333-K352 HydrophobicContact CE1-CG 3.92Å; Y333-K352 WeakPolarHBondContact OH-CB 2.75Å; Y333-L355 HydrophobicContact CD2-CD2 4.01Å; Y333-L355 HydrophobicContact CE2-CD2 4.09Å; Y333-L616 HydrophobicContact CD2-CD2 4.43Å; Y333-L616 HydrophobicContact CE2-CD2 3.78Å; Y333-L619 HydrophobicContact CD2-CD1 4.04Å; Y333-L619 HydrophobicContact CE2-CD1 3.98Å; Y333-E632 HydrophobicContact CE1-CG 4.31Å
334	E	84.6	Confident	76.8	Confident	87 Å²	87	60.5 Å²	60.5	41%	0.407	30%	0.304	S	S	.	.	H	α-helix	trans	-75.3	-40.8	179.3	-166.5	158.9	147.9	0	0	111.6	D331 F332 L336 A337 A338 K352	D331-E334 PolarHBondContact O-N 2.81Å; F332-E334 VanDerWaalsContact C-N 3.31Å; F332-E334 PolarHBondContact O-N 3.49Å; E334-L336 VanDerWaalsContact C-N 3.35Å; E334-L336 PolarHBondContact O-N 2.97Å; E334-A337 PolarHBondContact O-N 3.48Å; E334-A338 WeakPolarHBondContact O-CB 3.25Å; E334-A338 PolarHBondContact O-N 3.4Å; E334-K352 IonicContact OE2-NZ 3.52Å
335	K	83.8	Confident	77.7	Confident	31 Å²	31	61 Å²	61	14%	0.135	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-44.7	173.3	-70.3	173.8	-178.3	168	0	112	E329 E330 D331 F332 S339 F551	E329-K335 IonicContact OE2-NZ 2.99Å; E329-K335 PolarHBondContact OE2-NZ 3.4Å; E330-K335 PolarHBondContact O-NZ 3.32Å; D331-K335 WeakPolarHBondContact O-CG 3.48Å; D331-K335 PolarHBondContact O-N 3.42Å; D331-K335 VanDerWaalsContact O-N 3.11Å; F332-K335 PolarHBondContact O-N 3.08Å; K335-S339 WeakPolarHBondContact O-CB 3.1Å; K335-S339 PolarHBondContact O-N 2.89Å; K335-S339 PolarHBondContact O-OG 2.87Å; K335-F551 HydrophobicContact CD-CD1 4.26Å; K335-F551 HydrophobicContact CG-CD1 4Å; K335-F551 HydrophobicContact CG-CD2 4.41Å; K335-F551 HydrophobicContact CG-CE1 4.32Å; K335-F551 HydrophobicContact CG-CG 4.04Å
336	L	85.1	Confident	78.5	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-44.6	175.2	-83.2	-179	0	0	0	112.1	F332 E334 S339 I340 L355 L554 M559 Y562 L619	F332-L336 HydrophobicContact CD1-CD1 3.85Å; F332-L336 HydrophobicContact CD1-CG 4.28Å; F332-L336 HydrophobicContact CD2-CG 4.41Å; F332-L336 HydrophobicContact CE1-CD1 3.09Å; F332-L336 HydrophobicContact CE1-CG 3.72Å; F332-L336 HydrophobicContact CE2-CD1 4.15Å; F332-L336 HydrophobicContact CE2-CD2 4.22Å; F332-L336 HydrophobicContact CE2-CG 3.86Å; F332-L336 HydrophobicContact CZ-CD1 3.29Å; F332-L336 HydrophobicContact CZ-CD2 3.88Å; F332-L336 HydrophobicContact CZ-CG 3.5Å; F332-L336 VanDerWaalsContact CZ-CG 3.5Å; F332-L336 PolarHBondContact O-N 2.81Å; E334-L336 VanDerWaalsContact C-N 3.35Å; E334-L336 PolarHBondContact O-N 2.97Å; L336-S339 PolarHBondContact O-N 3.32Å; L336-I340 PolarHBondContact O-N 2.98Å; L336-L355 HydrophobicContact CB-CD1 4.37Å; L336-L355 HydrophobicContact CB-CD2 3.79Å; L336-L355 HydrophobicContact CD1-CD1 4.36Å; L336-L355 HydrophobicContact CD1-CD2 4.12Å; L336-L554 HydrophobicContact CD2-CD1 3.76Å; L336-M559 HydrophobicContact CD2-CE 4.07Å; L336-M559 HydrophobicContact CD2-CG 4.26Å; L336-Y562 HydrophobicContact CD1-CD1 4.09Å; L336-Y562 HydrophobicContact CD1-CE1 3.9Å; L336-L619 HydrophobicContact CD1-CD2 4.29Å
337	A	86.8	Confident	79.4	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-41.9	179.3	0	0	0	0	0	111.8	Y333 E334 S339 I340 K351 K352	Y333-A337 WeakPolarHBondContact O-CB 3.43Å; Y333-A337 PolarHBondContact O-N 2.78Å; Y333-A337 VanDerWaalsContact O-N 3.08Å; E334-A337 PolarHBondContact O-N 3.48Å; A337-S339 VanDerWaalsContact C-N 3.3Å; A337-S339 PolarHBondContact O-N 3.23Å; A337-I340 PolarHBondContact O-N 2.8Å; A337-K351 WeakPolarHBondContact O-CB 3.43Å; A337-K351 WeakPolarHBondContact O-CD 3.46Å; A337-K352 HydrophobicContact CB-CB 4.47Å; A337-K352 HydrophobicContact CB-CG 3.54Å
338	A	85.2	Confident	80.4	Confident	48 Å²	48	55.8 Å²	55.8	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-66.4	-31.8	175.8	0	0	0	0	0	112.6	E334 I340	E334-A338 WeakPolarHBondContact O-CB 3.25Å; E334-A338 PolarHBondContact O-N 3.4Å; A338-I340 VanDerWaalsContact C-N 3.27Å; A338-I340 PolarHBondContact O-N 3.18Å
339	S	86.2	Confident	81.8	Confident	5 Å²	5	54 Å²	54	4%	0.035	27%	0.27	C	S	.	.	H	α-helix	trans	-71.1	-19	176.4	-60.4	0	0	0	0	113.3	K335 L336 A337 A341 P342 Y393 L554	K335-S339 WeakPolarHBondContact O-CB 3.1Å; K335-S339 PolarHBondContact O-N 2.89Å; K335-S339 PolarHBondContact O-OG 2.87Å; L336-S339 PolarHBondContact O-N 3.32Å; A337-S339 VanDerWaalsContact C-N 3.3Å; A337-S339 PolarHBondContact O-N 3.23Å; S339-A341 PolarHBondContact O-N 3.29Å; S339-P342 WeakPolarHBondContact O-CD 3.37Å; S339-Y393 PolarHBondContact O-OH 3.49Å; S339-L554 PolarHBondContact OG-N 3.35Å; S339-L554 VanDerWaalsContact OG-N 3.16Å
340	I	87.1	Confident	83	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.247	C	C	.	.	S	Bend	trans	-73.4	122.5	173.1	-65.5	174.5	0	0	0	109.7	L336 A337 A338 K351 L355 Y393 M559	L336-I340 PolarHBondContact O-N 2.98Å; A337-I340 PolarHBondContact O-N 2.8Å; A338-I340 VanDerWaalsContact C-N 3.27Å; A338-I340 PolarHBondContact O-N 3.18Å; I340-K351 HydrophobicContact CB-CB 4.48Å; I340-K351 HydrophobicContact CG2-CG 4.5Å; I340-K351 VanDerWaalsContact O-CD 3.27Å; I340-K351 WeakPolarHBondContact O-CD 3.17Å; I340-K351 VanDerWaalsContact O-CE 3.24Å; I340-K351 WeakPolarHBondContact O-CE 3.49Å; I340-K351 PolarHBondContact O-NZ 3.27Å; I340-K351 VanDerWaalsContact O-NZ 3.08Å; I340-L355 HydrophobicContact CD1-CB 3.66Å; I340-L355 HydrophobicContact CD1-CD1 3.89Å; I340-L355 HydrophobicContact CD1-CG 4.33Å; I340-Y393 HydrophobicContact CG2-CD1 4.2Å; I340-Y393 HydrophobicContact CG2-CE1 4.12Å; I340-M559 HydrophobicContact CG1-CE 3.77Å
341	A	84.4	Confident	84.6	Confident	2 Å²	2	41 Å²	41	2%	0.017	21%	0.21	C	C	.	.	S	Bend	trans	45.4	64.1	177.1	0	0	0	0	0	112.5	S339 E343 I344 K351 L390 Y393	S339-A341 PolarHBondContact O-N 3.29Å; A341-E343 PolarHBondContact O-N 2.86Å; A341-I344 HydrophobicContact CB-CD1 4.27Å; A341-I344 PolarHBondContact O-N 3.33Å; A341-I344 VanDerWaalsContact O-N 3.09Å; A341-K351 PolarHBondContact O-NZ 2.96Å; A341-L390 HydrophobicContact CB-CD2 3.91Å; A341-Y393 HydrophobicContact CB-CD1 3.97Å; A341-Y393 HydrophobicContact CB-CD2 4.02Å; A341-Y393 HydrophobicContact CB-CE1 4.32Å; A341-Y393 HydrophobicContact CB-CE2 4.34Å; A341-Y393 HydrophobicContact CB-CG 3.82Å
342	P	82.9	Confident	85.7	Confident	21 Å²	21	36.3 Å²	36.3	14%	0.136	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-11	-173.7	35	-38.3	0	0	0	112.7	S339 I344 H536 Q546	S339-P342 WeakPolarHBondContact O-CD 3.37Å; P342-I344 PolarHBondContact O-N 3.44Å; P342-H536 PolarHBondContact O-CE1 2.89Å; P342-Q546 VanDerWaalsContact CB-CD 3.47Å
343	E	83.4	Confident	86.4	Confident	93 Å²	93	34.9 Å²	34.9	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.5	168	-63.9	172.8	-179.7	0	0	112.7	A341 Q389 H536	A341-E343 PolarHBondContact O-N 2.86Å; E343-Q389 PolarHBondContact OE2-NE2 2.84Å; E343-H536 PolarHBondContact O-CE1 3.31Å; E343-H536 PolarHBondContact O-ND1 3.11Å
344	I	86.4	Confident	86.9	Confident	21 Å²	21	32.4 Å²	32.4	11%	0.108	17%	0.168	C	C	.	.	S	Bend	trans	-101.6	119.1	-178.9	-57.6	170.6	0	0	0	108.5	A341 P342 K351 A386 Q389 L390	A341-I344 HydrophobicContact CB-CD1 4.27Å; A341-I344 PolarHBondContact O-N 3.33Å; A341-I344 VanDerWaalsContact O-N 3.09Å; P342-I344 PolarHBondContact O-N 3.44Å; I344-K351 PolarHBondContact O-NZ 3.47Å; I344-A386 HydrophobicContact CD1-CB 3.88Å; I344-A386 HydrophobicContact CG1-CB 4.26Å; I344-A386 HydrophobicContact CG2-CB 4.39Å; I344-Q389 HydrophobicContact CD1-CB 4.05Å; I344-Q389 HydrophobicContact CD1-CG 3.93Å; I344-L390 HydrophobicContact CD1-CD2 3.65Å; I344-L390 HydrophobicContact CD1-CG 3.8Å
345	Y	84.4	Confident	87.3	Confident	81 Å²	81	28.3 Å²	28.3	32%	0.318	15%	0.149	S	C	.	.			trans	-76.5	140	174.8	178.7	-102.8	0	0	0	111.4	R532 L533 H536	Y345-R532 HydrophobicContact CE1-CB 3.94Å; Y345-R532 WeakPolarHBondContact OH-CD 3.36Å; Y345-L533 HydrophobicContact CD1-CD1 4.49Å; Y345-H536 AromaticContact CD2-CD2 3.98Å; Y345-H536 HydrophobicContact CG-CB 4.38Å
346	G	83.3	Confident	87.6	Confident	24 Å²	24	26.8 Å²	26.8	25%	0.247	14%	0.142	C	C	.	.	S	Bend	trans	80.9	-159.3	177.9	0	0	0	0	0	114.6	E348 K351	G346-E348 VanDerWaalsContact C-N 3.34Å; G346-E348 PolarHBondContact O-N 2.99Å; G346-K351 WeakPolarHBondContact O-CE 3.49Å
347	H	84.6	Confident	88	Confident	69 Å²	69	26.8 Å²	26.8	32%	0.319	14%	0.142	S	C	.	.			trans	53	42.1	-179.4	-59.2	-53.6	0	0	0	114.9	D349 V350 K351 I521	H347-D349 VanDerWaalsContact C-N 3.33Å; H347-D349 PolarHBondContact O-N 2.8Å; H347-V350 HydrophobicContact CB-CB 4.07Å; H347-V350 HydrophobicContact CB-CG2 4.12Å; H347-V350 PolarHBondContact O-N 2.81Å; H347-V350 VanDerWaalsContact O-N 3.15Å; H347-K351 WeakPolarHBondContact O-CG 3.37Å; H347-K351 PolarHBondContact O-N 3.24Å; H347-I521 WeakPolarHBondContact CE1-CG2 3.37Å
348	E	86.9	Confident	88.2	Confident	117 Å²	117	26.7 Å²	26.7	55%	0.547	14%	0.141	S	C	.	.	H	α-helix	trans	-58.4	-43	-178.1	-65.1	177.5	-176	0	0	112.5	G346 V350 K351 K352	G346-E348 VanDerWaalsContact C-N 3.34Å; G346-E348 PolarHBondContact O-N 2.99Å; E348-V350 VanDerWaalsContact C-N 3.33Å; E348-V350 PolarHBondContact O-N 3.38Å; E348-K351 PolarHBondContact O-N 2.93Å; E348-K352 WeakPolarHBondContact O-CB 3.42Å; E348-K352 WeakPolarHBondContact O-CG 3.4Å; E348-K352 PolarHBondContact O-N 3.5Å
349	D	90.4	Very high	88.4	Confident	45 Å²	45	24.5 Å²	24.5	24%	0.241	12%	0.123	C	C	.	.	H	α-helix	trans	-67.7	-33.4	178.8	-60	-51	0	0	0	112.6	H347 K352 A353 W519 R635 L636	H347-D349 VanDerWaalsContact C-N 3.33Å; H347-D349 PolarHBondContact O-N 2.8Å; D349-K352 PolarHBondContact O-N 3.28Å; D349-A353 PolarHBondContact O-N 2.72Å; D349-W519 HydrophobicContact CB-CH2 3.76Å; D349-W519 HydrophobicContact CB-CZ2 4.17Å; D349-R635 IonicContact OD1-NH2 3.22Å; D349-R635 PolarHBondContact OD1-NH2 2.93Å; D349-L636 HydrophobicContact CB-CD2 4.41Å
350	V	91.1	Very high	88.4	Confident	6 Å²	6	24.6 Å²	24.6	4%	0.036	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-44	173.6	-176.1	0	0	0	0	109.5	H347 E348 K352 A353 L354 L379 W519 I521	H347-V350 HydrophobicContact CB-CB 4.07Å; H347-V350 HydrophobicContact CB-CG2 4.12Å; H347-V350 PolarHBondContact O-N 2.81Å; H347-V350 VanDerWaalsContact O-N 3.15Å; E348-V350 VanDerWaalsContact C-N 3.33Å; E348-V350 PolarHBondContact O-N 3.38Å; V350-K352 VanDerWaalsContact C-N 3.35Å; V350-K352 PolarHBondContact O-N 3.38Å; V350-A353 WeakPolarHBondContact O-CB 3.23Å; V350-A353 PolarHBondContact O-N 2.96Å; V350-L354 HydrophobicContact CG1-CD1 4.13Å; V350-L354 HydrophobicContact CG1-CG 4.38Å; V350-L354 VanDerWaalsContact O-CG 3.25Å; V350-L354 WeakPolarHBondContact O-CG 3.32Å; V350-L354 PolarHBondContact O-N 3.24Å; V350-L379 HydrophobicContact CG1-CD2 3.7Å; V350-W519 HydrophobicContact CG2-CD2 4.14Å; V350-W519 HydrophobicContact CG2-CE3 4.31Å; V350-W519 HydrophobicContact CG2-CG 4.3Å; V350-I521 HydrophobicContact CG2-CD1 4.45Å
351	K	91.6	Very high	88.3	Confident	11 Å²	11	24.7 Å²	24.7	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-40.9	176.7	-68.1	176.9	-179.4	-163.4	0	112	A337 I340 A341 I344 G346 H347 E348 L354 L355	A337-K351 WeakPolarHBondContact O-CB 3.43Å; A337-K351 WeakPolarHBondContact O-CD 3.46Å; I340-K351 HydrophobicContact CB-CB 4.48Å; I340-K351 HydrophobicContact CG2-CG 4.5Å; I340-K351 VanDerWaalsContact O-CD 3.27Å; I340-K351 WeakPolarHBondContact O-CD 3.17Å; I340-K351 VanDerWaalsContact O-CE 3.24Å; I340-K351 WeakPolarHBondContact O-CE 3.49Å; I340-K351 PolarHBondContact O-NZ 3.27Å; I340-K351 VanDerWaalsContact O-NZ 3.08Å; A341-K351 PolarHBondContact O-NZ 2.96Å; I344-K351 PolarHBondContact O-NZ 3.47Å; G346-K351 WeakPolarHBondContact O-CE 3.49Å; H347-K351 WeakPolarHBondContact O-CG 3.37Å; H347-K351 PolarHBondContact O-N 3.24Å; E348-K351 PolarHBondContact O-N 2.93Å; K351-L354 PolarHBondContact O-N 3.44Å; K351-L355 PolarHBondContact O-N 2.97Å
352	K	91.4	Very high	88.4	Confident	14 Å²	14	25.4 Å²	25.4	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-47.2	171.3	-78.1	175.7	179.9	177.2	0	111.6	Y333 E334 A337 E348 D349 V350 L354 L355 L356 L636	Y333-K352 HydrophobicContact CE1-CD 3.71Å; Y333-K352 HydrophobicContact CE1-CG 3.92Å; Y333-K352 WeakPolarHBondContact OH-CB 2.75Å; E334-K352 IonicContact OE2-NZ 3.52Å; A337-K352 HydrophobicContact CB-CB 4.47Å; A337-K352 HydrophobicContact CB-CG 3.54Å; E348-K352 WeakPolarHBondContact O-CB 3.42Å; E348-K352 WeakPolarHBondContact O-CG 3.4Å; E348-K352 PolarHBondContact O-N 3.5Å; D349-K352 PolarHBondContact O-N 3.28Å; V350-K352 VanDerWaalsContact C-N 3.35Å; V350-K352 PolarHBondContact O-N 3.38Å; K352-L354 PolarHBondContact O-N 3.09Å; K352-L355 WeakPolarHBondContact O-CB 3.47Å; K352-L355 PolarHBondContact O-N 2.86Å; K352-L356 PolarHBondContact O-N 2.94Å; K352-L356 VanDerWaalsContact O-N 3.17Å; K352-L636 HydrophobicContact CB-CD2 4.4Å
353	A	92.2	Very high	88.4	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.6	-39.8	176.3	0	0	0	0	0	112.7	D349 V350 L355 L356 L357 I377 L517	D349-A353 PolarHBondContact O-N 2.72Å; V350-A353 WeakPolarHBondContact O-CB 3.23Å; V350-A353 PolarHBondContact O-N 2.96Å; A353-L355 VanDerWaalsContact C-N 3.32Å; A353-L355 PolarHBondContact O-N 3.3Å; A353-L356 PolarHBondContact O-N 2.93Å; A353-L357 PolarHBondContact O-N 3.38Å; A353-I377 HydrophobicContact CB-CD1 4.05Å; A353-I377 WeakPolarHBondContact O-CD1 3.41Å; A353-L517 HydrophobicContact CB-CD1 3.82Å
354	L	93	Very high	88.2	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-66.6	-32.3	176.3	-66.9	172.9	0	0	0	112.5	V350 K351 K352 L357 L358 L390 I394 L485	V350-L354 HydrophobicContact CG1-CD1 4.13Å; V350-L354 HydrophobicContact CG1-CG 4.38Å; V350-L354 VanDerWaalsContact O-CG 3.25Å; V350-L354 WeakPolarHBondContact O-CG 3.32Å; V350-L354 PolarHBondContact O-N 3.24Å; K351-L354 PolarHBondContact O-N 3.44Å; K352-L354 PolarHBondContact O-N 3.09Å; L354-L357 HydrophobicContact CD2-CD2 4.27Å; L354-L357 WeakPolarHBondContact O-CB 3.46Å; L354-L357 PolarHBondContact O-N 3.47Å; L354-L358 WeakPolarHBondContact O-CG 3.29Å; L354-L358 PolarHBondContact O-N 2.75Å; L354-L358 VanDerWaalsContact O-N 3.16Å; L354-L390 HydrophobicContact CD1-CB 4.41Å; L354-L390 HydrophobicContact CD1-CD1 4.49Å; L354-L390 HydrophobicContact CD1-CD2 4.28Å; L354-I394 HydrophobicContact CB-CD1 3.92Å; L354-I394 HydrophobicContact CD1-CD1 3.69Å; L354-I394 HydrophobicContact CD2-CD1 3.48Å; L354-I394 VanDerWaalsContact CD2-CD1 3.48Å; L354-I394 HydrophobicContact CG-CD1 3.83Å; L354-L485 HydrophobicContact CD2-CD1 3.64Å; L354-L485 HydrophobicContact CD2-CD2 3.99Å
355	L	91.9	Very high	87.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-44.8	171.3	-175.5	66.6	0	0	0	111	Y333 L336 I340 K351 K352 A353 L357 L358 V359 L619	Y333-L355 HydrophobicContact CD2-CD2 4.01Å; Y333-L355 HydrophobicContact CE2-CD2 4.09Å; L336-L355 HydrophobicContact CB-CD1 4.37Å; L336-L355 HydrophobicContact CB-CD2 3.79Å; L336-L355 HydrophobicContact CD1-CD1 4.36Å; L336-L355 HydrophobicContact CD1-CD2 4.12Å; I340-L355 HydrophobicContact CD1-CB 3.66Å; I340-L355 HydrophobicContact CD1-CD1 3.89Å; I340-L355 HydrophobicContact CD1-CG 4.33Å; K351-L355 PolarHBondContact O-N 2.97Å; K352-L355 WeakPolarHBondContact O-CB 3.47Å; K352-L355 PolarHBondContact O-N 2.86Å; A353-L355 VanDerWaalsContact C-N 3.32Å; A353-L355 PolarHBondContact O-N 3.3Å; L355-L357 VanDerWaalsContact C-N 3.3Å; L355-L357 PolarHBondContact O-N 2.72Å; L355-L358 WeakPolarHBondContact O-CB 3.36Å; L355-L358 PolarHBondContact O-N 3.19Å; L355-L358 VanDerWaalsContact O-N 3.1Å; L355-V359 WeakPolarHBondContact O-CG2 3.27Å; L355-V359 PolarHBondContact O-N 3.03Å; L355-V359 VanDerWaalsContact O-N 3.15Å; L355-L619 HydrophobicContact CD1-CD2 4.41Å; L355-L619 HydrophobicContact CD2-CD1 3.81Å; L355-L619 HydrophobicContact CD2-CD2 4.16Å; L355-L619 HydrophobicContact CG-CD1 3.99Å; L355-L619 HydrophobicContact CG-CD2 4.15Å
356	L	92.1	Very high	87.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-37.2	177	-64.9	173.9	0	0	0	112.3	K352 A353 L358 V359 G360 I375 L612 A615 L616 L619 L636	K352-L356 PolarHBondContact O-N 2.94Å; K352-L356 VanDerWaalsContact O-N 3.17Å; A353-L356 PolarHBondContact O-N 2.93Å; L356-L358 VanDerWaalsContact C-N 3.31Å; L356-L358 PolarHBondContact O-N 3.33Å; L356-V359 PolarHBondContact O-N 3.4Å; L356-G360 PolarHBondContact O-N 3.48Å; L356-I375 HydrophobicContact CB-CD1 4.25Å; L356-L612 HydrophobicContact CB-CD2 4.36Å; L356-L612 HydrophobicContact CD1-CD2 3.78Å; L356-A615 HydrophobicContact CB-CB 4.49Å; L356-A615 HydrophobicContact CD2-CB 3.94Å; L356-L616 HydrophobicContact CD1-CD2 4.35Å; L356-L616 HydrophobicContact CD1-CG 4.3Å; L356-L616 HydrophobicContact CD2-CB 4.49Å; L356-L616 HydrophobicContact CD2-CD2 3.66Å; L356-L616 HydrophobicContact CD2-CG 3.67Å; L356-L619 HydrophobicContact CD2-CD1 3.62Å; L356-L636 HydrophobicContact CD1-CD1 3.57Å
357	L	92.9	Very high	86.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-41.7	172.1	172.7	72.1	0	0	0	112.2	A353 L354 L355 I375 I377 V441 L485	A353-L357 PolarHBondContact O-N 3.38Å; L354-L357 HydrophobicContact CD2-CD2 4.27Å; L354-L357 WeakPolarHBondContact O-CB 3.46Å; L354-L357 PolarHBondContact O-N 3.47Å; L355-L357 VanDerWaalsContact C-N 3.3Å; L355-L357 PolarHBondContact O-N 2.72Å; L357-I375 WeakPolarHBondContact CD1-O 3.49Å; L357-I377 HydrophobicContact CB-CD1 3.76Å; L357-I377 HydrophobicContact CB-CG1 4.46Å; L357-I377 HydrophobicContact CD2-CD1 4.47Å; L357-V441 HydrophobicContact CD2-CG1 4.19Å; L357-L485 HydrophobicContact CD2-CB 3.86Å; L357-L485 HydrophobicContact CD2-CD1 4.02Å; L357-L485 HydrophobicContact CD2-CD2 4.08Å; L357-L485 HydrophobicContact CD2-CG 4.2Å
358	L	90.3	Very high	86.5	Confident	2 Å²	2	42 Å²	42	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-69.7	-32.4	-179.6	-73.5	169.9	0	0	0	112.6	L354 L355 L356 I394 L397 A398 V441 I563 R567	L354-L358 WeakPolarHBondContact O-CG 3.29Å; L354-L358 PolarHBondContact O-N 2.75Å; L354-L358 VanDerWaalsContact O-N 3.16Å; L355-L358 WeakPolarHBondContact O-CB 3.36Å; L355-L358 PolarHBondContact O-N 3.19Å; L355-L358 VanDerWaalsContact O-N 3.1Å; L356-L358 VanDerWaalsContact C-N 3.31Å; L356-L358 PolarHBondContact O-N 3.33Å; L358-I394 HydrophobicContact CD2-CG2 4.13Å; L358-L397 HydrophobicContact CD1-CD2 3.48Å; L358-L397 VanDerWaalsContact CD1-CD2 3.48Å; L358-L397 HydrophobicContact CD1-CG 4.14Å; L358-A398 HydrophobicContact CD2-CB 4.01Å; L358-V441 HydrophobicContact CD2-CG2 4.29Å; L358-I563 HydrophobicContact CB-CD1 4.19Å; L358-I563 HydrophobicContact CB-CG2 4.32Å; L358-I563 HydrophobicContact CD1-CD1 4.11Å; L358-I563 WeakPolarHBondContact O-CG2 2.94Å; L358-R567 PolarHBondContact O-NE 3.31Å; L358-R567 PolarHBondContact O-NH2 3.19Å
359	V	88.9	Confident	86.2	Confident	2 Å²	2	43 Å²	43	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-80.8	-42.6	178.7	178.3	0	0	0	0	110.6	L355 L356 C566 R567 R618 L619	L355-V359 WeakPolarHBondContact O-CG2 3.27Å; L355-V359 PolarHBondContact O-N 3.03Å; L355-V359 VanDerWaalsContact O-N 3.15Å; L356-V359 PolarHBondContact O-N 3.4Å; V359-C566 HydrophobicContact CG1-CB 4.14Å; V359-R567 VanDerWaalsContact O-CG 3.3Å; V359-R567 WeakPolarHBondContact O-CG 3.19Å; V359-R618 HydrophobicContact CG1-CB 3.6Å; V359-L619 HydrophobicContact CB-CG 4.4Å; V359-L619 HydrophobicContact CG1-CG 4.36Å; V359-L619 HydrophobicContact CG2-CD1 4.28Å; V359-L619 HydrophobicContact CG2-CD2 3.33Å; V359-L619 HydrophobicContact CG2-CG 3.64Å
360	G	86.8	Confident	85.7	Confident	6 Å²	6	49.3 Å²	49.3	6%	0.062	26%	0.259	C	S	.	.			trans	71.1	156.4	-177.4	0	0	0	0	0	113.3	L356 R618	L356-G360 PolarHBondContact O-N 3.48Å; G360-R618 VanDerWaalsContact O-CD 3.32Å; G360-R618 WeakPolarHBondContact O-CD 3.44Å; G360-R618 PolarHBondContact O-NH1 3.37Å
361	G	85.1	Confident	85.4	Confident	3 Å²	3	51.7 Å²	51.7	3%	0.031	27%	0.271	C	S	.	.			trans	-86.6	178.3	174.9	0	0	0	0	0	113.1	G373 R618	G361-G373 CarbonylContact C-O 3.58Å; G361-G373 WeakPolarHBondContact CA-O 3.34Å; G361-G373 PolarHBondContact N-O 3.26Å; G361-R618 PolarHBondContact O-NH1 3.36Å
362	V	85.9	Confident	85.3	Confident	17 Å²	17	52 Å²	52	10%	0.103	27%	0.272	C	S	.	.			trans	-82.5	127.8	-177.3	-172.5	0	0	0	0	110.8	Q364 G373 Q570 P571	V362-Q364 HydrophobicContact CG1-CG 4.43Å; V362-G373 WeakPolarHBondContact O-CA 3.18Å; V362-Q570 HydrophobicContact CG1-CB 4.35Å; V362-Q570 HydrophobicContact CG1-CG 4.45Å; V362-P571 HydrophobicContact CG2-CG 3.97Å
363	D	84.4	Confident	85	Confident	81 Å²	81	51.3 Å²	51.3	43%	0.433	27%	0.269	S	S	.	.			trans	-75.3	127.6	169	-68.7	-34.9	0	0	0	109.3	G373	D363-G373 WeakPolarHBondContact OD1-CA 3.44Å; D363-G373 PolarHBondContact OD1-N 3.43Å
364	Q	78.3	Confident	84.9	Confident	92 Å²	92	52.3 Å²	52.3	43%	0.43	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-120.4	142.1	177.3	-63.6	-172.3	5.9	0	0	111.2	V362 P366 I371	V362-Q364 HydrophobicContact CG1-CG 4.43Å; Q364-P366 VanDerWaalsContact C-CD 3.42Å; Q364-I371 PolarHBondContact N-O 3.11Å; Q364-I371 PolarHBondContact O-N 2.94Å
365	S	78.6	Confident	84.9	Confident	88 Å²	88	52.3 Å²	52.3	62%	0.615	27%	0.274	S	S	*	.			trans	-125.4	63.6	174.2	63.1	0	0	0	0	112.7	R367 M369	S365-R367 PolarHBondContact O-N 3.25Å; S365-M369 WeakPolarHBondContact CA-O 3.3Å
366	P	71.6	Confident	84.9	Confident	66 Å²	66	52.5 Å²	52.5	43%	0.429	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-71.5	118.6	175.4	29.7	-31.5	0	0	0	109.6	Q364 G368 M369 I371	Q364-P366 VanDerWaalsContact C-CD 3.42Å; P366-G368 VanDerWaalsContact C-N 3.32Å; P366-G368 PolarHBondContact O-N 3.32Å; P366-M369 WeakPolarHBondContact CD-O 3.22Å; P366-M369 PolarHBondContact O-N 3.4Å; P366-I371 HydrophobicContact CG-CD1 4.24Å
367	R	74.6	Confident	85	Confident	259 Å²	259	52.5 Å²	52.5	98%	0.977	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	59.3	31.7	172.9	-54.9	-177.4	177	179.8	-0.3	115.7	S365 M369	S365-R367 PolarHBondContact O-N 3.25Å; R367-M369 VanDerWaalsContact C-N 3.33Å; R367-M369 PolarHBondContact O-N 3.41Å
368	G	77.6	Confident	84.9	Confident	71 Å²	71	52.5 Å²	52.5	73%	0.732	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	87	-7.1	174.1	0	0	0	0	0	115.4	P366	P366-G368 VanDerWaalsContact C-N 3.32Å; P366-G368 PolarHBondContact O-N 3.32Å
369	M	81.4	Confident	85	Confident	140 Å²	140	52.4 Å²	52.4	69%	0.69	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-84.2	118.5	165.5	-172.6	172.9	-176.6	0	0	108.7	S365 P366 R367	S365-M369 WeakPolarHBondContact CA-O 3.3Å; P366-M369 WeakPolarHBondContact CD-O 3.22Å; P366-M369 PolarHBondContact O-N 3.4Å; R367-M369 VanDerWaalsContact C-N 3.33Å; R367-M369 PolarHBondContact O-N 3.41Å
370	K	80.7	Confident	85	Confident	176 Å²	176	52.6 Å²	52.6	77%	0.765	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-83.6	120.4	174.8	-66.8	-176.4	179.8	-179.4	0	109.2
371	I	84.6	Confident	85	Confident	56 Å²	56	52.3 Å²	52.3	29%	0.287	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-100.6	119.6	171	-58.6	176.6	0	0	0	107	Q364 P366	Q364-I371 PolarHBondContact N-O 3.11Å; Q364-I371 PolarHBondContact O-N 2.94Å; P366-I371 HydrophobicContact CG-CD1 4.24Å
372	R	88.2	Confident	85.1	Confident	18 Å²	18	53 Å²	53	7%	0.068	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-61.2	138.9	175	72.9	178.8	-159.5	-166.5	1.5	110.5	N376 M462 Q465 R514 D516 R611	R372-N376 PolarHBondContact NH1-ND2 3.21Å; R372-M462 VanDerWaalsContact CD-O 3.3Å; R372-M462 WeakPolarHBondContact CD-O 3.41Å; R372-M462 PolarHBondContact NH1-O 2.78Å; R372-Q465 HydrophobicContact CB-CG 4.25Å; R372-R514 PolarHBondContact NH1-O 3.01Å; R372-R514 PolarHBondContact NH2-O 3.34Å; R372-D516 IonicContact NH2-OD1 3.53Å; R372-D516 PolarHBondContact NH2-OD1 3.47Å; R372-D516 IonicContact NH2-OD2 3.87Å; R372-R611 VanDerWaalsContact CG-CZ 3.48Å; R372-R611 VanDerWaalsContact NE-CZ 3.31Å; R372-R611 VanDerWaalsContact NH2-NH1 3.11Å; R372-R611 PolarHBondContact O-NE 3.03Å; R372-R611 PolarHBondContact O-NH2 3.24Å
373	G	86.1	Confident	85	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.298	C	S	.	.			trans	-101	-16	170	0	0	0	0	0	113.4	G361 V362 D363	G361-G373 CarbonylContact C-O 3.58Å; G361-G373 WeakPolarHBondContact CA-O 3.34Å; G361-G373 PolarHBondContact N-O 3.26Å; V362-G373 WeakPolarHBondContact O-CA 3.18Å; D363-G373 WeakPolarHBondContact OD1-CA 3.44Å; D363-G373 PolarHBondContact OD1-N 3.43Å
374	N	90.1	Very high	84.8	Confident	21 Å²	21	56.1 Å²	56.1	11%	0.112	32%	0.315	C	S	.	.			trans	-62.4	138.1	176.7	-69.6	-1.4	0	0	0	112	Q465 R481 C482 S483	N374-Q465 PolarHBondContact ND2-NE2 2.96Å; N374-Q465 VanDerWaalsContact ND2-NE2 3.12Å; N374-R481 VanDerWaalsContact ND2-C 3.27Å; N374-R481 PolarHBondContact ND2-O 2.83Å; N374-C482 PolarHBondContact ND2-O 3Å; N374-S483 WeakPolarHBondContact CB-OG 3.24Å
375	I	92.2	Very high	85.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.299	C	S	.	.			trans	-97.3	136.5	178	-61.2	164.7	0	0	0	107.9	L356 L357 I377 S483 D516 R611 L612 A615	L356-I375 HydrophobicContact CB-CD1 4.25Å; L357-I375 WeakPolarHBondContact CD1-O 3.49Å; I375-I377 HydrophobicContact CG2-CD1 4.4Å; I375-I377 HydrophobicContact CG2-CG1 4.01Å; I375-S483 WeakPolarHBondContact O-CB 3.49Å; I375-D516 HydrophobicContact CG2-CB 4.23Å; I375-R611 HydrophobicContact CG1-CB 4.24Å; I375-L612 HydrophobicContact CD1-CD2 3.99Å; I375-L612 HydrophobicContact CG2-CD2 4.37Å; I375-A615 HydrophobicContact CD1-CB 3.85Å
376	N	93.2	Very high	85.5	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	29%	0.285	C	S	.	.			trans	-115.7	129.5	174.9	-61.7	-49.1	0	0	0	109.8	R372 M462 I484 F515 D516 L517	R372-N376 PolarHBondContact NH1-ND2 3.21Å; N376-M462 HydrophobicContact CB-CE 3.81Å; N376-I484 WeakPolarHBondContact CA-O 3.5Å; N376-I484 PolarHBondContact OD1-N 3.19Å; N376-F515 HydrophobicContact CB-CD1 3.87Å; N376-F515 HydrophobicContact CB-CE1 4.36Å; N376-D516 PolarHBondContact O-N 3.35Å; N376-L517 PolarHBondContact O-N 2.96Å
377	I	93	Very high	86.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.5	-176.8	-55.5	-175.2	0	0	0	109.4	A353 L357 I375 L379 I484 L485 A486 L517	A353-I377 HydrophobicContact CB-CD1 4.05Å; A353-I377 WeakPolarHBondContact O-CD1 3.41Å; L357-I377 HydrophobicContact CB-CD1 3.76Å; L357-I377 HydrophobicContact CB-CG1 4.46Å; L357-I377 HydrophobicContact CD2-CD1 4.47Å; I375-I377 HydrophobicContact CG2-CD1 4.4Å; I375-I377 HydrophobicContact CG2-CG1 4.01Å; I377-L379 HydrophobicContact CG2-CD2 4.13Å; I377-I484 PolarHBondContact N-O 3.17Å; I377-L485 HydrophobicContact CB-CD1 3.96Å; I377-L485 HydrophobicContact CG2-CD1 4.17Å; I377-L485 WeakPolarHBondContact O-CA 3.26Å; I377-A486 PolarHBondContact O-N 3.46Å; I377-L517 WeakPolarHBondContact CA-O 3.31Å; I377-L517 HydrophobicContact CD1-CD1 4.36Å; I377-L517 HydrophobicContact CG1-CB 4.33Å; I377-L517 HydrophobicContact CG2-CB 4.46Å
378	C	91.3	Very high	87	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.8	168.7	-169.4	0	0	0	0	111.1	M380 A486 F515 L517 L518 W519	C378-M380 HydrophobicContact CB-CE 4.39Å; C378-A486 CarbonylContact C-O 3.59Å; C378-A486 VanDerWaalsContact CA-O 3.28Å; C378-A486 WeakPolarHBondContact CA-O 3.34Å; C378-A486 HydrophobicContact CB-CB 4.37Å; C378-F515 HydrophobicContact CB-CD1 3.91Å; C378-F515 HydrophobicContact CB-CD2 4.4Å; C378-F515 HydrophobicContact CB-CE1 4.04Å; C378-F515 HydrophobicContact CB-CG 4.1Å; C378-F515 HydrophobicContact CB-CZ 4.33Å; C378-L517 PolarHBondContact N-O 3.46Å; C378-L518 HydrophobicContact CB-CD2 3.84Å; C378-W519 PolarHBondContact O-N 2.86Å
379	L	91.9	Very high	87.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110	173.5	-55.9	-177.7	0	0	0	109.5	V350 I377 K387 L390 L485 A486 A487 A488 W519	V350-L379 HydrophobicContact CG1-CD2 3.7Å; I377-L379 HydrophobicContact CG2-CD2 4.13Å; L379-K387 HydrophobicContact CB-CD 4.28Å; L379-L390 HydrophobicContact CD1-CD1 4.31Å; L379-L485 HydrophobicContact CD1-CD1 4.45Å; L379-L485 HydrophobicContact CG-CD1 4.32Å; L379-A486 PolarHBondContact N-O 3.23Å; L379-A487 CarbonylContact O-C 3.47Å; L379-A487 WeakPolarHBondContact O-CA 3.2Å; L379-A488 PolarHBondContact O-N 3.05Å; L379-W519 HydrophobicContact CD2-CB 3.9Å; L379-W519 HydrophobicContact CD2-CG 4.38Å
380	M	88.9	Confident	88.1	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	157.5	176.5	-59.5	-178.2	173.4	0	0	109.7	C378 K387 A488 I505 L507 L512 L518 W519 L520 I521	C378-M380 HydrophobicContact CB-CE 4.39Å; M380-K387 VanDerWaalsContact C-CE 3.45Å; M380-K387 VanDerWaalsContact C-NZ 3.26Å; M380-K387 WeakPolarHBondContact O-CE 3.27Å; M380-A488 WeakPolarHBondContact CA-O 3.35Å; M380-A488 HydrophobicContact CG-CB 4.36Å; M380-I505 HydrophobicContact CE-CD1 4.29Å; M380-I505 HydrophobicContact CE-CG2 3.77Å; M380-I505 HydrophobicContact SD-CD1 3.39Å; M380-I505 WeakPolarHBondContact SD-CD1 3.36Å; M380-I505 HydrophobicContact SD-CG1 4Å; M380-I505 HydrophobicContact SD-CG2 4.11Å; M380-L507 HydrophobicContact CE-CD1 4.18Å; M380-L512 HydrophobicContact CE-CD2 3.62Å; M380-L518 HydrophobicContact CE-CD2 4Å; M380-W519 WeakPolarHBondContact CA-O 3.29Å; M380-W519 WeakPolarHBondContact CB-O 3.44Å; M380-W519 PolarHBondContact N-O 3.28Å; M380-L520 HydrophobicContact CB-CD1 4.08Å; M380-I521 PolarHBondContact O-N 3.17Å
381	G	87.3	Confident	88.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.3	177.9	-177.4	0	0	0	0	0	115.3	K387 P490 I521	G381-K387 PolarHBondContact O-NZ 3.08Å; G381-P490 WeakPolarHBondContact O-CD 3.44Å; G381-I521 WeakPolarHBondContact CA-O 3.44Å
382	D	86.4	Confident	88.9	Confident	18 Å²	18	22.9 Å²	22.9	10%	0.096	15%	0.154	C	C	.	.			trans	-75.2	157.2	-175.9	-57.7	-32	0	0	0	111.7	V385 R494 Y495 I521 D523	D382-V385 WeakPolarHBondContact O-CG2 3.24Å; D382-R494 VanDerWaalsContact OD1-CA 3.26Å; D382-R494 WeakPolarHBondContact OD1-CA 3.47Å; D382-Y495 PolarHBondContact OD1-N 3.24Å; D382-I521 PolarHBondContact N-O 3.4Å; D382-D523 HydrophobicContact CB-CB 4.46Å; D382-D523 PolarHBondContact OD2-N 2.94Å
383	P	84.1	Confident	89	Confident	86 Å²	86	22.6 Å²	22.6	56%	0.558	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	136.9	171.3	28.6	-34.4	0	0	0	109.5	G493	P383-G493 WeakPolarHBondContact CD-O 3.29Å
384	G	80.2	Confident	89.2	Confident	77 Å²	77	22.7 Å²	22.7	79%	0.794	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	113.6	-15.2	179.8	0	0	0	0	0	114.6	A386	G384-A386 PolarHBondContact O-N 3.26Å
385	V	85.4	Confident	89.2	Confident	17 Å²	17	23 Å²	23	10%	0.103	16%	0.155	C	C	.	.	S	Bend	trans	-84	28.4	-177.8	-53	0	0	0	0	114.3	D382 K387 I521 D523	D382-V385 WeakPolarHBondContact O-CG2 3.24Å; V385-K387 HydrophobicContact CG2-CD 4.11Å; V385-K387 HydrophobicContact CG2-CG 3.57Å; V385-K387 PolarHBondContact O-N 2.96Å; V385-I521 HydrophobicContact CB-CG2 3.77Å; V385-I521 HydrophobicContact CG1-CG2 3.94Å; V385-I521 HydrophobicContact CG2-CB 4.06Å; V385-I521 HydrophobicContact CG2-CD1 4.46Å; V385-I521 HydrophobicContact CG2-CG2 3.83Å; V385-D523 HydrophobicContact CG1-CB 4.06Å
386	A	86.6	Confident	88.9	Confident	39 Å²	39	28 Å²	28	32%	0.322	17%	0.174	S	C	.	.			trans	53.2	21	175.6	0	0	0	0	0	117.5	I344 G384 S388 Q389 L390	I344-A386 HydrophobicContact CD1-CB 3.88Å; I344-A386 HydrophobicContact CG1-CB 4.26Å; I344-A386 HydrophobicContact CG2-CB 4.39Å; G384-A386 PolarHBondContact O-N 3.26Å; A386-S388 PolarHBondContact O-N 3.27Å; A386-Q389 HydrophobicContact CB-CB 4.38Å; A386-Q389 WeakPolarHBondContact O-CB 3.31Å; A386-Q389 PolarHBondContact O-N 2.85Å; A386-Q389 VanDerWaalsContact O-N 3.08Å; A386-L390 PolarHBondContact O-N 3.12Å; A386-L390 VanDerWaalsContact O-N 3.12Å
387	K	89	Confident	88.6	Confident	11 Å²	11	27.9 Å²	27.9	5%	0.048	17%	0.174	C	C	.	.	H	α-helix	trans	-56.8	-46.2	-178.1	-57.6	-179.2	-165.4	157	0	114.3	L379 M380 G381 V385 Q389 L390 L391 A487 A488 N489	L379-K387 HydrophobicContact CB-CD 4.28Å; M380-K387 VanDerWaalsContact C-CE 3.45Å; M380-K387 VanDerWaalsContact C-NZ 3.26Å; M380-K387 WeakPolarHBondContact O-CE 3.27Å; G381-K387 PolarHBondContact O-NZ 3.08Å; V385-K387 HydrophobicContact CG2-CD 4.11Å; V385-K387 HydrophobicContact CG2-CG 3.57Å; V385-K387 PolarHBondContact O-N 2.96Å; K387-Q389 PolarHBondContact O-N 2.99Å; K387-L390 WeakPolarHBondContact O-CB 3.43Å; K387-L390 PolarHBondContact O-N 3.47Å; K387-L390 VanDerWaalsContact O-N 3.12Å; K387-L391 PolarHBondContact O-N 2.83Å; K387-A487 HydrophobicContact CB-CB 4.33Å; K387-A487 HydrophobicContact CD-CB 4.35Å; K387-A488 PolarHBondContact NZ-O 3.43Å; K387-N489 PolarHBondContact NZ-OD1 2.89Å; K387-N489 VanDerWaalsContact NZ-OD1 3.15Å
388	S	89.4	Confident	88.1	Confident	54 Å²	54	28 Å²	28	38%	0.378	17%	0.174	S	C	.	.	H	α-helix	trans	-64.2	-29.6	179.8	-49.5	0	0	0	0	111.5	A386 S392 D445	A386-S388 PolarHBondContact O-N 3.27Å; S388-S392 WeakPolarHBondContact O-CB 3.37Å; S388-S392 PolarHBondContact O-N 3.17Å; S388-D445 WeakPolarHBondContact CB-OD2 3.35Å; S388-D445 PolarHBondContact OG-OD2 3.19Å
389	Q	89.8	Confident	87.4	Confident	80 Å²	80	31 Å²	31	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-69.8	-40.1	173.7	-170.4	68.1	4.7	0	0	111.4	E343 I344 A386 K387 S392 Y393	E343-Q389 PolarHBondContact OE2-NE2 2.84Å; I344-Q389 HydrophobicContact CD1-CB 4.05Å; I344-Q389 HydrophobicContact CD1-CG 3.93Å; A386-Q389 HydrophobicContact CB-CB 4.38Å; A386-Q389 WeakPolarHBondContact O-CB 3.31Å; A386-Q389 PolarHBondContact O-N 2.85Å; A386-Q389 VanDerWaalsContact O-N 3.08Å; K387-Q389 PolarHBondContact O-N 2.99Å; Q389-S392 PolarHBondContact O-N 3.29Å; Q389-Y393 WeakPolarHBondContact O-CB 3.33Å; Q389-Y393 PolarHBondContact O-N 3.45Å
390	L	91.5	Very high	86.9	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-45.6	173.1	-69.5	170.5	0	0	0	111.7	A341 I344 L354 L379 A386 K387 S392 Y393 I394	A341-L390 HydrophobicContact CB-CD2 3.91Å; I344-L390 HydrophobicContact CD1-CD2 3.65Å; I344-L390 HydrophobicContact CD1-CG 3.8Å; L354-L390 HydrophobicContact CD1-CB 4.41Å; L354-L390 HydrophobicContact CD1-CD1 4.49Å; L354-L390 HydrophobicContact CD1-CD2 4.28Å; L379-L390 HydrophobicContact CD1-CD1 4.31Å; A386-L390 PolarHBondContact O-N 3.12Å; A386-L390 VanDerWaalsContact O-N 3.12Å; K387-L390 WeakPolarHBondContact O-CB 3.43Å; K387-L390 PolarHBondContact O-N 3.47Å; K387-L390 VanDerWaalsContact O-N 3.12Å; L390-S392 PolarHBondContact O-N 2.59Å; L390-Y393 PolarHBondContact O-N 2.82Å; L390-I394 WeakPolarHBondContact O-CG1 3.49Å; L390-I394 PolarHBondContact O-N 3.09Å
391	L	92	Very high	86.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-47.3	175	-79.4	155.5	0	0	0	112	K387 Y393 I394 D395 Y403 C443 D445 L485 A487	K387-L391 PolarHBondContact O-N 2.83Å; L391-Y393 VanDerWaalsContact C-N 3.33Å; L391-Y393 PolarHBondContact O-N 3.43Å; L391-I394 PolarHBondContact O-N 3.02Å; L391-D395 PolarHBondContact O-N 2.88Å; L391-Y403 HydrophobicContact CB-CE2 4.06Å; L391-C443 HydrophobicContact CD2-CB 3.65Å; L391-D445 HydrophobicContact CD1-CB 4.1Å; L391-L485 HydrophobicContact CD2-CB 4.2Å; L391-L485 HydrophobicContact CD2-CD2 3.65Å; L391-L485 HydrophobicContact CD2-CG 3.58Å; L391-L485 HydrophobicContact CG-CD2 4.29Å; L391-L485 HydrophobicContact CG-CG 4.49Å; L391-A487 HydrophobicContact CD1-CB 3.43Å; L391-A487 VanDerWaalsContact CD1-CB 3.43Å
392	S	89.8	Confident	86.9	Confident	45 Å²	45	39.5 Å²	39.5	32%	0.315	23%	0.232	S	C	.	.	H	α-helix	trans	-65.7	-35.9	178.8	-179.9	0	0	0	0	112.3	S388 Q389 L390 D395 R396	S388-S392 WeakPolarHBondContact O-CB 3.37Å; S388-S392 PolarHBondContact O-N 3.17Å; Q389-S392 PolarHBondContact O-N 3.29Å; L390-S392 PolarHBondContact O-N 2.59Å; S392-D395 PolarHBondContact O-N 3.31Å; S392-R396 WeakPolarHBondContact O-CG 3.31Å; S392-R396 PolarHBondContact O-N 3.24Å
393	Y	90.7	Very high	87.1	Confident	13 Å²	13	42.4 Å²	42.4	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-43.9	174.9	-170.9	-86.8	0	0	0	111.5	S339 I340 A341 Q389 L390 L391 D395 R396 L397 M556	S339-Y393 PolarHBondContact O-OH 3.49Å; I340-Y393 HydrophobicContact CG2-CD1 4.2Å; I340-Y393 HydrophobicContact CG2-CE1 4.12Å; A341-Y393 HydrophobicContact CB-CD1 3.97Å; A341-Y393 HydrophobicContact CB-CD2 4.02Å; A341-Y393 HydrophobicContact CB-CE1 4.32Å; A341-Y393 HydrophobicContact CB-CE2 4.34Å; A341-Y393 HydrophobicContact CB-CG 3.82Å; Q389-Y393 WeakPolarHBondContact O-CB 3.33Å; Q389-Y393 PolarHBondContact O-N 3.45Å; L390-Y393 PolarHBondContact O-N 2.82Å; L391-Y393 VanDerWaalsContact C-N 3.33Å; L391-Y393 PolarHBondContact O-N 3.43Å; Y393-D395 VanDerWaalsContact C-N 3.34Å; Y393-D395 PolarHBondContact O-N 3.32Å; Y393-R396 PolarHBondContact O-N 2.83Å; Y393-R396 VanDerWaalsContact O-N 3.12Å; Y393-L397 HydrophobicContact CE1-CD2 4.25Å; Y393-L397 PolarHBondContact O-N 3.47Å; Y393-M556 HydrophobicContact CD2-CE 3.81Å; Y393-M556 HydrophobicContact CE1-CE 4.09Å; Y393-M556 HydrophobicContact CE2-CE 3.08Å; Y393-M556 WeakPolarHBondContact OH-CE 3.41Å
394	I	91.2	Very high	87.3	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-38	177.4	-71.5	168.3	0	0	0	111.8	L354 L358 L390 L391 R396 L397 A398 V441 L485	L354-I394 HydrophobicContact CB-CD1 3.92Å; L354-I394 HydrophobicContact CD1-CD1 3.69Å; L354-I394 HydrophobicContact CD2-CD1 3.48Å; L354-I394 VanDerWaalsContact CD2-CD1 3.48Å; L354-I394 HydrophobicContact CG-CD1 3.83Å; L358-I394 HydrophobicContact CD2-CG2 4.13Å; L390-I394 WeakPolarHBondContact O-CG1 3.49Å; L390-I394 PolarHBondContact O-N 3.09Å; L391-I394 PolarHBondContact O-N 3.02Å; I394-R396 PolarHBondContact O-N 3.34Å; I394-L397 PolarHBondContact O-N 2.99Å; I394-A398 WeakPolarHBondContact O-CB 3.41Å; I394-A398 PolarHBondContact O-N 3.48Å; I394-V441 HydrophobicContact CG2-CG1 4.17Å; I394-L485 HydrophobicContact CB-CD2 4.37Å; I394-L485 HydrophobicContact CD1-CD2 3.38Å; I394-L485 HydrophobicContact CG1-CD2 4.48Å; I394-L485 HydrophobicContact CG2-CD2 4.25Å
395	D	89.5	Confident	87.8	Confident	28 Å²	28	37.3 Å²	37.3	15%	0.15	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-24.3	174.6	-175.8	69.3	0	0	0	113.2	K308 L391 S392 Y393 S401 Y403	K308-D395 PolarHBondContact NZ-O 3.5Å; K308-D395 IonicContact NZ-OD2 2.82Å; L391-D395 PolarHBondContact O-N 2.88Å; S392-D395 PolarHBondContact O-N 3.31Å; Y393-D395 VanDerWaalsContact C-N 3.34Å; Y393-D395 PolarHBondContact O-N 3.32Å; D395-S401 VanDerWaalsContact CA-OG 3.31Å; D395-S401 WeakPolarHBondContact CA-OG 3.41Å; D395-S401 VanDerWaalsContact CG-OG 3.3Å; D395-S401 PolarHBondContact O-OG 2.91Å; D395-S401 WeakPolarHBondContact OD1-CB 3.33Å; D395-S401 PolarHBondContact OD1-OG 2.77Å; D395-Y403 PolarHBondContact OD1-N 3.37Å
396	R	85.4	Confident	87.6	Confident	105 Å²	105	36.8 Å²	36.8	40%	0.396	19%	0.192	S	C	.	.	H	α-helix	trans	-84.1	-36.7	172.6	-69.9	-176.1	-71.7	172.1	0.6	112.2	S392 Y393 I394 R560	S392-R396 WeakPolarHBondContact O-CG 3.31Å; S392-R396 PolarHBondContact O-N 3.24Å; Y393-R396 PolarHBondContact O-N 2.83Å; Y393-R396 VanDerWaalsContact O-N 3.12Å; I394-R396 PolarHBondContact O-N 3.34Å; R396-R560 PolarHBondContact O-NH2 3.07Å
397	L	86.9	Confident	87.4	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-74	-43.8	-177.5	-175.8	56.9	0	0	0	112.2	L358 Y393 I394 M559 R560 I563	L358-L397 HydrophobicContact CD1-CD2 3.48Å; L358-L397 VanDerWaalsContact CD1-CD2 3.48Å; L358-L397 HydrophobicContact CD1-CG 4.14Å; Y393-L397 HydrophobicContact CE1-CD2 4.25Å; Y393-L397 PolarHBondContact O-N 3.47Å; I394-L397 PolarHBondContact O-N 2.99Å; L397-M559 HydrophobicContact CD1-CB 4.06Å; L397-M559 HydrophobicContact CD2-CE 4.28Å; L397-R560 PolarHBondContact O-NE 3.01Å; L397-I563 HydrophobicContact CD2-CD1 4.48Å
398	A	83.6	Confident	86.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.238	C	C	.	.	S	Bend	trans	-66.2	139.2	-178.8	0	0	0	0	0	112.1	L358 I394 V441	L358-A398 HydrophobicContact CD2-CB 4.01Å; I394-A398 WeakPolarHBondContact O-CB 3.41Å; I394-A398 PolarHBondContact O-N 3.48Å; A398-V441 HydrophobicContact CB-CG2 4.47Å
399	P	75.4	Confident	86.1	Confident	64 Å²	64	44.6 Å²	44.6	42%	0.416	23%	0.227	S	C	.	.	S	Bend	trans	-69.9	-34.2	-179.3	26.6	-34	0	0	0	112.7
400	R	82.9	Confident	85.5	Confident	93 Å²	93	44.3 Å²	44.3	35%	0.351	23%	0.233	S	C	.	.	S	Bend	trans	-127.4	111.8	173.8	-75.6	-176.4	164.2	-169.8	-10.3	108	Q266 D269 G440 V441	Q266-R400 VanDerWaalsContact OE1-NH2 3.1Å; D269-R400 IonicContact OD1-NH2 3.02Å; R400-G440 CarbonylContact O-C 3.31Å; R400-G440 WeakPolarHBondContact O-CA 3.17Å; R400-V441 PolarHBondContact O-N 3.1Å
401	S	87.9	Confident	84.9	Confident	21 Å²	21	44.8 Å²	44.8	15%	0.147	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.6	176	61	0	0	0	0	111.1	D395 V441	D395-S401 VanDerWaalsContact CA-OG 3.31Å; D395-S401 WeakPolarHBondContact CA-OG 3.41Å; D395-S401 VanDerWaalsContact CG-OG 3.3Å; D395-S401 PolarHBondContact O-OG 2.91Å; D395-S401 WeakPolarHBondContact OD1-CB 3.33Å; D395-S401 PolarHBondContact OD1-OG 2.77Å; S401-V441 WeakPolarHBondContact CA-O 3.42Å; S401-V441 VanDerWaalsContact CB-O 3.27Å; S401-V441 WeakPolarHBondContact CB-O 3.41Å
402	Q	87.9	Confident	84.3	Confident	72 Å²	72	48.1 Å²	48.1	34%	0.336	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.7	175.8	-175.5	61.7	55	0	0	108.7	T404 A433 A437 V441 C443	Q402-T404 HydrophobicContact CG-CG2 4.06Å; Q402-A433 HydrophobicContact CG-CB 3.64Å; Q402-A437 HydrophobicContact CB-CB 4.19Å; Q402-V441 PolarHBondContact N-O 3.48Å; Q402-C443 PolarHBondContact O-N 3.15Å
403	Y	90.3	Very high	83.9	Confident	79 Å²	79	47.7 Å²	47.7	31%	0.31	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.4	170	-173.4	-95.3	0	0	0	110.4	L391 D395 T405 C443 D445	L391-Y403 HydrophobicContact CB-CE2 4.06Å; D395-Y403 PolarHBondContact OD1-N 3.37Å; Y403-T405 HydrophobicContact CE1-CG2 3.94Å; Y403-C443 HydrophobicContact CD2-CB 3.95Å; Y403-D445 HydrophobicContact CE2-CB 4.39Å; Y403-D445 WeakPolarHBondContact OH-CB 3.32Å; Y403-D445 PolarHBondContact OH-OD2 3.22Å
404	T	88.8	Confident	83.5	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.5	177	54.1	0	0	0	0	110.6	Q402 S409 L414 A433 C443 I444 D445	Q402-T404 HydrophobicContact CG-CG2 4.06Å; T404-S409 WeakPolarHBondContact CB-OG 3.22Å; T404-S409 WeakPolarHBondContact CG2-OG 3.43Å; T404-L414 HydrophobicContact CG2-CD2 4.46Å; T404-A433 HydrophobicContact CG2-CB 3.43Å; T404-A433 VanDerWaalsContact CG2-CB 3.43Å; T404-C443 PolarHBondContact N-O 3.25Å; T404-C443 PolarHBondContact OG1-O 3.41Å; T404-C443 VanDerWaalsContact OG1-O 3.13Å; T404-I444 WeakPolarHBondContact O-CA 3.32Å; T404-D445 PolarHBondContact O-N 3.16Å
405	T	89.8	Confident	83.2	Confident	48 Å²	48	47.8 Å²	47.8	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.3	172.9	64.9	0	0	0	0	109.1	Y403 R407 G408 S409 D445	Y403-T405 HydrophobicContact CE1-CG2 3.94Å; T405-R407 PolarHBondContact O-N 3.41Å; T405-R407 VanDerWaalsContact O-N 3.12Å; T405-G408 PolarHBondContact O-N 2.87Å; T405-G408 VanDerWaalsContact OG1-CA 3.31Å; T405-G408 WeakPolarHBondContact OG1-CA 3.34Å; T405-G408 PolarHBondContact OG1-N 3.48Å; T405-G408 VanDerWaalsContact OG1-N 3.09Å; T405-S409 PolarHBondContact O-N 2.99Å; T405-D445 CarbonylContact C-O 3.59Å
406	G	81.4	Confident	83	Confident	5 Å²	5	46.5 Å²	46.5	5%	0.052	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.6	-174.8	0	0	0	0	0	114.5	D445 M450	G406-D445 PolarHBondContact N-O 3.13Å; G406-M450 WeakPolarHBondContact O-CG 3.38Å
407	R	83.3	Confident	82.9	Confident	186 Å²	186	42.5 Å²	42.5	70%	0.702	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-30.7	170.4	-78.1	-173.1	169.8	-179.3	1.6	114.2	T405 K449	T405-R407 PolarHBondContact O-N 3.41Å; T405-R407 VanDerWaalsContact O-N 3.12Å; R407-K449 HydrophobicContact CG-CB 3.84Å; R407-K449 HydrophobicContact CG-CD 4.41Å
408	G	76.7	Confident	82.8	Confident	61 Å²	61	44 Å²	44	63%	0.629	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-19	-175.2	0	0	0	0	0	113.4	T405	T405-G408 PolarHBondContact O-N 2.87Å; T405-G408 VanDerWaalsContact OG1-CA 3.31Å; T405-G408 WeakPolarHBondContact OG1-CA 3.34Å; T405-G408 PolarHBondContact OG1-N 3.48Å; T405-G408 VanDerWaalsContact OG1-N 3.09Å
409	S	74.2	Confident	82.7	Confident	22 Å²	22	46.6 Å²	46.6	15%	0.154	27%	0.27	C	S	.	.			trans	-111	112.9	178.9	-58	0	0	0	0	110.2	T404 T405	T404-S409 WeakPolarHBondContact CB-OG 3.22Å; T404-S409 WeakPolarHBondContact CG2-OG 3.43Å; T405-S409 PolarHBondContact O-N 2.99Å
410	S	77.4	Confident	83.1	Confident	73 Å²	73	53.2 Å²	53.2	51%	0.51	29%	0.286	S	S	.	.			trans	-76.5	162.7	168	63.7	0	0	0	0	110.4	V412 G413 L414	S410-V412 PolarHBondContact O-N 3.46Å; S410-G413 CarbonylContact O-C 3.55Å; S410-G413 WeakPolarHBondContact O-CA 3.43Å; S410-G413 PolarHBondContact O-N 3.46Å; S410-L414 PolarHBondContact O-N 2.86Å
411	G	76.9	Confident	82.8	Confident	14 Å²	14	50.4 Å²	50.4	14%	0.144	28%	0.278	C	S	.	.	H	α-helix	trans	-53	-29.2	178.9	0	0	0	0	0	115.1	T415 D454	G411-T415 WeakPolarHBondContact O-CB 3.44Å; G411-T415 WeakPolarHBondContact O-CG2 3.39Å; G411-T415 PolarHBondContact O-N 3.4Å; G411-T415 PolarHBondContact O-OG1 3.33Å; G411-D454 VanDerWaalsContact CA-CG 3.47Å; G411-D454 WeakPolarHBondContact CA-OD1 3.4Å; G411-D454 PolarHBondContact N-OD1 3.24Å; G411-D454 PolarHBondContact N-OD2 3.14Å
412	V	80.1	Confident	81.9	Confident	69 Å²	69	53.8 Å²	53.8	42%	0.418	30%	0.302	S	S	.	.	H	α-helix	trans	-70.4	-39.3	173.3	-178.3	0	0	0	0	111.5	S410 L414 A417	S410-V412 PolarHBondContact O-N 3.46Å; V412-L414 VanDerWaalsContact C-N 3.35Å; V412-A417 HydrophobicContact CG1-CB 3.54Å
413	G	81.9	Confident	81	Confident	36 Å²	36	55.1 Å²	55.1	37%	0.371	31%	0.314	S	S	.	.	H	α-helix	trans	-71.6	-25.9	175.1	0	0	0	0	0	113.6	S410 G432 A433	S410-G413 CarbonylContact O-C 3.55Å; S410-G413 WeakPolarHBondContact O-CA 3.43Å; S410-G413 PolarHBondContact O-N 3.46Å; G413-G432 CarbonylContact O-C 3.5Å; G413-G432 WeakPolarHBondContact O-CA 3.34Å; G413-A433 PolarHBondContact O-N 3.15Å
414	L	82.8	Confident	80	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-81.9	-41.4	173.4	-71.1	171.7	0	0	0	112.7	T404 S410 V412 A433 L434 D454	T404-L414 HydrophobicContact CG2-CD2 4.46Å; S410-L414 PolarHBondContact O-N 2.86Å; V412-L414 VanDerWaalsContact C-N 3.35Å; L414-A433 HydrophobicContact CD2-CB 4.37Å; L414-L434 HydrophobicContact CB-CD1 4.18Å; L414-L434 WeakPolarHBondContact O-CB 3.43Å; L414-L434 PolarHBondContact O-N 2.71Å; L414-L434 VanDerWaalsContact O-N 3.11Å; L414-D454 HydrophobicContact CD1-CB 4.05Å
415	T	84.9	Confident	79.4	Confident	15 Å²	15	55.6 Å²	55.6	9%	0.092	34%	0.338	C	S	.	.	S	Bend	trans	-90.8	-98.2	-173.2	57.7	0	0	0	0	113.2	G411 G432 V435 A457 I467	G411-T415 WeakPolarHBondContact O-CB 3.44Å; G411-T415 WeakPolarHBondContact O-CG2 3.39Å; G411-T415 PolarHBondContact O-N 3.4Å; G411-T415 PolarHBondContact O-OG1 3.33Å; T415-G432 WeakPolarHBondContact O-CA 3.43Å; T415-G432 PolarHBondContact O-N 3.34Å; T415-V435 VanDerWaalsContact O-CG2 3.26Å; T415-V435 WeakPolarHBondContact O-CG2 3.4Å; T415-A457 HydrophobicContact CG2-CB 3.4Å; T415-A457 VanDerWaalsContact CG2-CB 3.4Å; T415-I467 HydrophobicContact CG2-CG2 3.99Å
416	A	83.6	Confident	79	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.1	167.5	0	0	0	0	0	109.8	E430 I469 L478	A416-E430 CarbonylContact C-O 3.57Å; A416-E430 VanDerWaalsContact CA-O 3.23Å; A416-E430 WeakPolarHBondContact CA-O 3.47Å; A416-E430 VanDerWaalsContact CB-O 3.29Å; A416-E430 WeakPolarHBondContact CB-O 3.06Å; A416-I469 HydrophobicContact CB-CD1 3.23Å; A416-L478 HydrophobicContact CB-CD1 3.79Å
417	A	83.6	Confident	79.1	Confident	21 Å²	21	62 Å²	62	17%	0.174	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	142.7	174.7	0	0	0	0	0	110.2	V412 L429 E430	V412-A417 HydrophobicContact CG1-CB 3.54Å; A417-L429 CarbonylContact O-C 3.53Å; A417-L429 WeakPolarHBondContact O-CA 3.41Å; A417-E430 PolarHBondContact N-O 3.06Å; A417-E430 PolarHBondContact O-N 3.37Å
418	V	84.6	Confident	78.9	Confident	35 Å²	35	56.2 Å²	56.2	21%	0.212	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.1	167.1	-172.7	0	0	0	0	107.6	L427 T428 L429 K471 A472 I474	V418-L427 HydrophobicContact CG1-CB 3.81Å; V418-L427 HydrophobicContact CG1-CD2 3.84Å; V418-L427 HydrophobicContact CG1-CG 4.29Å; V418-T428 WeakPolarHBondContact CA-O 3.48Å; V418-L429 HydrophobicContact CG2-CD2 3.7Å; V418-K471 HydrophobicContact CG2-CB 4Å; V418-A472 HydrophobicContact CG1-CB 4.16Å; V418-I474 HydrophobicContact CG1-CD1 4.08Å
419	L	82.8	Confident	79.1	Confident	55 Å²	55	56.1 Å²	56.1	29%	0.288	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.8	178.5	-65.9	-178.9	0	0	0	111	L427 T428 E430	L419-L427 CarbonylContact O-C 3.59Å; L419-L427 WeakPolarHBondContact O-CA 3.4Å; L419-T428 PolarHBondContact N-O 3.06Å; L419-T428 PolarHBondContact O-N 3.16Å; L419-T428 PolarHBondContact O-OG1 3.37Å; L419-T428 VanDerWaalsContact O-OG1 3.09Å; L419-E430 HydrophobicContact CD1-CB 4.26Å; L419-E430 WeakPolarHBondContact CD1-OE2 3.38Å
420	R	82.6	Confident	79.4	Confident	202 Å²	202	57.8 Å²	57.8	76%	0.762	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	125	171.8	-69.9	179.3	-179.2	-174.8	-0.9	109.3	E426 L427	R420-E426 WeakPolarHBondContact CA-O 3.37Å; R420-L427 HydrophobicContact CG-CD2 3.46Å; R420-L427 VanDerWaalsContact CG-CD2 3.46Å
421	D	76.5	Confident	79.6	Confident	34 Å²	34	55.4 Å²	55.4	18%	0.182	33%	0.328	C	S	.	.			trans	-65.1	135.9	170.5	-177.6	26.2	0	0	0	109.8	K174 V423 S424 G425 E426 T428	K174-D421 IonicContact NZ-OD2 3.89Å; D421-V423 VanDerWaalsContact C-N 3.28Å; D421-V423 PolarHBondContact O-N 3.05Å; D421-S424 PolarHBondContact OD2-N 3.14Å; D421-S424 PolarHBondContact OD2-OG 3.17Å; D421-G425 WeakPolarHBondContact O-CA 3.3Å; D421-G425 PolarHBondContact O-N 3.3Å; D421-E426 PolarHBondContact N-O 3.39Å; D421-T428 HydrophobicContact CB-CG2 4.22Å
422	S	69.9	Low	80	Confident	93 Å²	93	55 Å²	55	65%	0.65	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.3	-176.5	47.6	0	0	0	0	113.6
423	V	68.6	Low	80.3	Confident	99 Å²	99	52.1 Å²	52.1	60%	0.6	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-50.2	-177.1	-176.8	0	0	0	0	111.4	D421	D421-V423 VanDerWaalsContact C-N 3.28Å; D421-V423 PolarHBondContact O-N 3.05Å
424	S	70	Confident	80.5	Confident	46 Å²	46	50.4 Å²	50.4	32%	0.322	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-21.8	178.2	63.9	0	0	0	0	114.3	D421 E426	D421-S424 PolarHBondContact OD2-N 3.14Å; D421-S424 PolarHBondContact OD2-OG 3.17Å; S424-E426 VanDerWaalsContact CB-OE2 3.32Å; S424-E426 WeakPolarHBondContact CB-OE2 3.49Å; S424-E426 PolarHBondContact O-N 2.76Å; S424-E426 WeakPolarHBondContact OG-CB 3.42Å; S424-E426 PolarHBondContact OG-N 3.24Å; S424-E426 PolarHBondContact OG-OE2 3.36Å
425	G	76.1	Confident	80.8	Confident	51 Å²	51	51.8 Å²	51.8	53%	0.526	30%	0.298	S	S	.	.			trans	71	3.2	-170.2	0	0	0	0	0	113.8	D421	D421-G425 WeakPolarHBondContact O-CA 3.3Å; D421-G425 PolarHBondContact O-N 3.3Å
426	E	81.4	Confident	80.8	Confident	118 Å²	118	54.4 Å²	54.4	55%	0.551	31%	0.311	S	S	*	.			trans	-73	149.2	177	-67.6	163.7	153.4	0	0	110.7	R420 D421 S424 T428	R420-E426 WeakPolarHBondContact CA-O 3.37Å; D421-E426 PolarHBondContact N-O 3.39Å; S424-E426 VanDerWaalsContact CB-OE2 3.32Å; S424-E426 WeakPolarHBondContact CB-OE2 3.49Å; S424-E426 PolarHBondContact O-N 2.76Å; S424-E426 WeakPolarHBondContact OG-CB 3.42Å; S424-E426 PolarHBondContact OG-N 3.24Å; S424-E426 PolarHBondContact OG-OE2 3.36Å; E426-T428 PolarHBondContact O-N 3.12Å
427	L	82.7	Confident	80.9	Confident	71 Å²	71	54.5 Å²	54.5	37%	0.372	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113	173.9	-66.6	167.7	0	0	0	108.5	V418 L419 R420 A472 I474	V418-L427 HydrophobicContact CG1-CB 3.81Å; V418-L427 HydrophobicContact CG1-CD2 3.84Å; V418-L427 HydrophobicContact CG1-CG 4.29Å; L419-L427 CarbonylContact O-C 3.59Å; L419-L427 WeakPolarHBondContact O-CA 3.4Å; R420-L427 HydrophobicContact CG-CD2 3.46Å; R420-L427 VanDerWaalsContact CG-CD2 3.46Å; L427-A472 HydrophobicContact CD1-CB 4.05Å; L427-I474 HydrophobicContact CB-CD1 4.01Å
428	T	80.3	Confident	81.1	Confident	64 Å²	64	54.8 Å²	54.8	39%	0.393	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.5	176.2	55.6	0	0	0	0	109.9	V418 L419 D421 E426	V418-T428 WeakPolarHBondContact CA-O 3.48Å; L419-T428 PolarHBondContact N-O 3.06Å; L419-T428 PolarHBondContact O-N 3.16Å; L419-T428 PolarHBondContact O-OG1 3.37Å; L419-T428 VanDerWaalsContact O-OG1 3.09Å; D421-T428 HydrophobicContact CB-CG2 4.22Å; E426-T428 PolarHBondContact O-N 3.12Å
429	L	80.4	Confident	81.2	Confident	59 Å²	59	58 Å²	58	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.3	174.8	-72.7	167.2	0	0	0	109.4	A417 V418 I474 T476	A417-L429 CarbonylContact O-C 3.53Å; A417-L429 WeakPolarHBondContact O-CA 3.41Å; V418-L429 HydrophobicContact CG2-CD2 3.7Å; L429-I474 HydrophobicContact CD1-CG2 3.99Å; L429-I474 HydrophobicContact CD2-CD1 4.48Å; L429-I474 HydrophobicContact CG-CD1 4.29Å; L429-T476 WeakPolarHBondContact CD1-OG1 3.21Å
430	E	81.2	Confident	81.4	Confident	56 Å²	56	55.5 Å²	55.5	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.7	170.3	-167.7	168.3	-138.7	0	0	108.1	R169 A416 A417 L419	R169-E430 WeakPolarHBondContact CG-OE1 3.49Å; R169-E430 IonicContact CZ-OE1 3.97Å; R169-E430 IonicContact CZ-OE2 3.22Å; R169-E430 IonicContact NE-OE1 2.99Å; R169-E430 PolarHBondContact NE-OE1 3.06Å; R169-E430 IonicContact NE-OE2 2.7Å; R169-E430 PolarHBondContact NE-OE2 3.42Å; R169-E430 IonicContact NH2-OE1 2.94Å; R169-E430 IonicContact NH2-OE2 3.62Å; R169-E430 PolarHBondContact NH2-OE2 3.08Å; A416-E430 CarbonylContact C-O 3.57Å; A416-E430 VanDerWaalsContact CA-O 3.23Å; A416-E430 WeakPolarHBondContact CA-O 3.47Å; A416-E430 VanDerWaalsContact CB-O 3.29Å; A416-E430 WeakPolarHBondContact CB-O 3.06Å; A417-E430 PolarHBondContact N-O 3.06Å; A417-E430 PolarHBondContact O-N 3.37Å; L419-E430 HydrophobicContact CD1-CB 4.26Å; L419-E430 WeakPolarHBondContact CD1-OE2 3.38Å
431	G	79.9	Confident	81.9	Confident	24 Å²	24	45.9 Å²	45.9	25%	0.247	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	136.7	179.5	0	0	0	0	0	111.7
432	G	86.3	Confident	82.6	Confident	6 Å²	6	44.2 Å²	44.2	6%	0.062	27%	0.265	C	S	.	.			trans	-80.8	-176.6	170.2	0	0	0	0	0	112	G413 T415 L434 V435 L436	G413-G432 CarbonylContact O-C 3.5Å; G413-G432 WeakPolarHBondContact O-CA 3.34Å; T415-G432 WeakPolarHBondContact O-CA 3.43Å; T415-G432 PolarHBondContact O-N 3.34Å; G432-L434 VanDerWaalsContact C-N 3.27Å; G432-L434 PolarHBondContact O-N 2.84Å; G432-V435 PolarHBondContact O-N 3.17Å; G432-L436 WeakPolarHBondContact O-CG 3.27Å; G432-L436 PolarHBondContact O-N 3.43Å
433	A	85.6	Confident	83.8	Confident	7 Å²	7	39.8 Å²	39.8	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-53.3	-39.3	-174.8	0	0	0	0	0	114	Q402 T404 G413 L414 A437	Q402-A433 HydrophobicContact CG-CB 3.64Å; T404-A433 HydrophobicContact CG2-CB 3.43Å; T404-A433 VanDerWaalsContact CG2-CB 3.43Å; G413-A433 PolarHBondContact O-N 3.15Å; L414-A433 HydrophobicContact CD2-CB 4.37Å; A433-A437 VanDerWaalsContact O-CB 3.29Å; A433-A437 WeakPolarHBondContact O-CB 3.12Å; A433-A437 PolarHBondContact O-N 3.22Å; A433-A437 VanDerWaalsContact O-N 3.09Å
434	L	87.3	Confident	84.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-72.1	-33.2	-179.3	-67.2	166.2	0	0	0	112.4	L414 G432 C442 I458 V461 I467	L414-L434 HydrophobicContact CB-CD1 4.18Å; L414-L434 WeakPolarHBondContact O-CB 3.43Å; L414-L434 PolarHBondContact O-N 2.71Å; L414-L434 VanDerWaalsContact O-N 3.11Å; G432-L434 VanDerWaalsContact C-N 3.27Å; G432-L434 PolarHBondContact O-N 2.84Å; L434-C442 HydrophobicContact CD2-CB 3.98Å; L434-I458 HydrophobicContact CD1-CG1 4.46Å; L434-V461 HydrophobicContact CD1-CG2 4.13Å; L434-I467 HydrophobicContact CB-CD1 3.99Å; L434-I467 HydrophobicContact CD1-CD1 4.49Å
435	V	87.8	Confident	86	Confident	31 Å²	31	33.7 Å²	33.7	19%	0.188	19%	0.194	C	C	.	.	H	α-helix	trans	-75.3	-40	178	-179.4	0	0	0	0	110.5	T415 G432 A437 D438 I467 L478	T415-V435 VanDerWaalsContact O-CG2 3.26Å; T415-V435 WeakPolarHBondContact O-CG2 3.4Å; G432-V435 PolarHBondContact O-N 3.17Å; V435-A437 PolarHBondContact O-N 2.87Å; V435-D438 PolarHBondContact O-N 3.49Å; V435-I467 HydrophobicContact CG2-CD1 3.84Å; V435-L478 HydrophobicContact CG1-CD1 4.44Å; V435-L478 HydrophobicContact CG2-CB 4.37Å; V435-L478 HydrophobicContact CG2-CD1 4.11Å
436	L	84.8	Confident	86.6	Confident	71 Å²	71	33.7 Å²	33.7	37%	0.372	18%	0.181	S	C	.	.	H	α-helix	trans	-66	-28.7	175.6	-65.1	173.8	0	0	0	112.1	G432 D438	G432-L436 WeakPolarHBondContact O-CG 3.27Å; G432-L436 PolarHBondContact O-N 3.43Å; L436-D438 VanDerWaalsContact C-N 3.31Å; L436-D438 PolarHBondContact O-N 3.47Å
437	A	86.9	Confident	86.9	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.008	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	17.4	177.1	0	0	0	0	0	114.6	Q402 A433 V435 Q439 G440 C442 C482	Q402-A437 HydrophobicContact CB-CB 4.19Å; A433-A437 VanDerWaalsContact O-CB 3.29Å; A433-A437 WeakPolarHBondContact O-CB 3.12Å; A433-A437 PolarHBondContact O-N 3.22Å; A433-A437 VanDerWaalsContact O-N 3.09Å; V435-A437 PolarHBondContact O-N 2.87Å; A437-Q439 PolarHBondContact O-N 3.24Å; A437-G440 WeakPolarHBondContact O-CA 3.29Å; A437-G440 PolarHBondContact O-N 2.92Å; A437-C442 HydrophobicContact CB-CB 4.1Å; A437-C482 HydrophobicContact CB-CB 4.22Å; A437-C482 VanDerWaalsContact O-CB 3.24Å; A437-C482 WeakPolarHBondContact O-CB 3.25Å
438	D	87.9	Confident	87.1	Confident	27 Å²	27	26.4 Å²	26.4	14%	0.144	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	135.2	177.1	-171.8	40.5	0	0	0	111.6	V435 L436 G440 R481	V435-D438 PolarHBondContact O-N 3.49Å; L436-D438 VanDerWaalsContact C-N 3.31Å; L436-D438 PolarHBondContact O-N 3.47Å; D438-G440 PolarHBondContact O-N 3.41Å; D438-G440 VanDerWaalsContact O-N 3.13Å; D438-R481 WeakPolarHBondContact OD1-CA 3.19Å; D438-R481 WeakPolarHBondContact OD1-CB 3.32Å; D438-R481 PolarHBondContact OD1-N 3.33Å; D438-R481 IonicContact OD1-NE 2.77Å; D438-R481 PolarHBondContact OD1-NE 2.88Å; D438-R481 IonicContact OD1-NH2 2.69Å; D438-R481 IonicContact OD2-CZ 3.53Å; D438-R481 IonicContact OD2-NE 3.17Å; D438-R481 IonicContact OD2-NH2 3Å; D438-R481 PolarHBondContact OD2-NH2 2.91Å
439	Q	85.6	Confident	87.4	Confident	103 Å²	103	27 Å²	27	48%	0.481	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	13.2	-172.9	-56.2	179.8	-41.5	0	0	115.1	A437 R481 R567	A437-Q439 PolarHBondContact O-N 3.24Å; Q439-R481 WeakPolarHBondContact CA-O 3.37Å; Q439-R481 PolarHBondContact N-O 3.45Å; Q439-R481 VanDerWaalsContact NE2-NH2 3.16Å; Q439-R567 PolarHBondContact O-NH1 2.85Å
440	G	88.7	Confident	87.7	Confident	2 Å²	2	24.6 Å²	24.6	2%	0.021	13%	0.13	C	C	.	.	S	Bend	trans	-118.1	-160	-178.5	0	0	0	0	0	113.3	R400 A437 D438 S483	R400-G440 CarbonylContact O-C 3.31Å; R400-G440 WeakPolarHBondContact O-CA 3.17Å; A437-G440 WeakPolarHBondContact O-CA 3.29Å; A437-G440 PolarHBondContact O-N 2.92Å; D438-G440 PolarHBondContact O-N 3.41Å; D438-G440 VanDerWaalsContact O-N 3.13Å; G440-S483 PolarHBondContact O-N 3.22Å
441	V	91.8	Very high	87.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126	174.5	-176.7	0	0	0	0	109.6	L357 L358 I394 A398 R400 S401 Q402 S483 L485	L357-V441 HydrophobicContact CD2-CG1 4.19Å; L358-V441 HydrophobicContact CD2-CG2 4.29Å; I394-V441 HydrophobicContact CG2-CG1 4.17Å; A398-V441 HydrophobicContact CB-CG2 4.47Å; R400-V441 PolarHBondContact O-N 3.1Å; S401-V441 WeakPolarHBondContact CA-O 3.42Å; S401-V441 VanDerWaalsContact CB-O 3.27Å; S401-V441 WeakPolarHBondContact CB-O 3.41Å; Q402-V441 PolarHBondContact N-O 3.48Å; V441-S483 CarbonylContact C-O 3.5Å; V441-S483 WeakPolarHBondContact CA-O 3.41Å; V441-L485 HydrophobicContact CG1-CB 4.11Å
442	C	92.4	Very high	88	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.1	169.5	-172.8	0	0	0	0	108.9	L434 A437 S483 L485	L434-C442 HydrophobicContact CD2-CB 3.98Å; A437-C442 HydrophobicContact CB-CB 4.1Å; C442-S483 PolarHBondContact N-O 2.98Å; C442-L485 PolarHBondContact O-N 3.46Å
443	C	93.6	Very high	87.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.1	177.7	-68.9	0	0	0	0	108.7	L391 Q402 Y403 T404 L485	L391-C443 HydrophobicContact CD2-CB 3.65Å; Q402-C443 PolarHBondContact O-N 3.15Å; Y403-C443 HydrophobicContact CD2-CB 3.95Å; T404-C443 PolarHBondContact N-O 3.25Å; T404-C443 PolarHBondContact OG1-O 3.41Å; T404-C443 VanDerWaalsContact OG1-O 3.13Å; C443-L485 WeakPolarHBondContact CA-O 3.35Å
444	I	92.3	Very high	87.7	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.5	179.3	-51.6	177.2	0	0	0	108.6	T404 F447 M450 I458 I484 L485 A486 A487	T404-I444 WeakPolarHBondContact O-CA 3.32Å; I444-F447 HydrophobicContact CB-CD2 4.47Å; I444-F447 HydrophobicContact CG2-CD2 4.06Å; I444-M450 HydrophobicContact CG2-SD 4.02Å; I444-I458 HydrophobicContact CD1-CD1 4.2Å; I444-I484 HydrophobicContact CD1-CG2 4.08Å; I444-L485 PolarHBondContact N-O 3.03Å; I444-A486 CarbonylContact O-C 3.53Å; I444-A486 WeakPolarHBondContact O-CA 3.47Å; I444-A487 PolarHBondContact O-N 2.89Å
445	D	92.2	Very high	87.5	Confident	16 Å²	16	36.5 Å²	36.5	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	155.6	171	-159.5	1.9	0	0	0	111.1	S388 L391 Y403 T404 T405 G406 F447	S388-D445 WeakPolarHBondContact CB-OD2 3.35Å; S388-D445 PolarHBondContact OG-OD2 3.19Å; L391-D445 HydrophobicContact CD1-CB 4.1Å; Y403-D445 HydrophobicContact CE2-CB 4.39Å; Y403-D445 WeakPolarHBondContact OH-CB 3.32Å; Y403-D445 PolarHBondContact OH-OD2 3.22Å; T404-D445 PolarHBondContact O-N 3.16Å; T405-D445 CarbonylContact C-O 3.59Å; G406-D445 PolarHBondContact N-O 3.13Å; D445-F447 VanDerWaalsContact C-N 3.32Å; D445-F447 PolarHBondContact O-N 2.96Å
446	E	89.6	Confident	87.4	Confident	51 Å²	51	39.5 Å²	39.5	24%	0.238	22%	0.215	C	C	.	.			trans	52.1	45.7	-177	-52.3	-165.4	134.1	0	0	113.7	D448 K449 A487	E446-D448 PolarHBondContact O-N 3.24Å; E446-D448 VanDerWaalsContact O-N 3.16Å; E446-K449 HydrophobicContact CB-CB 4.43Å; E446-K449 HydrophobicContact CB-CD 4.21Å; E446-K449 HydrophobicContact CB-CG 4.38Å; E446-K449 PolarHBondContact O-N 3.35Å; E446-K449 IonicContact OE1-NZ 3.78Å; E446-K449 PolarHBondContact OE1-NZ 3.15Å; E446-K449 IonicContact OE2-NZ 3.93Å; E446-A487 PolarHBondContact N-O 2.94Å
447	F	88.4	Confident	87.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.4	-29.6	-178.5	-173.5	-90.9	0	0	0	112.9	I444 D445 K449 M450 I458 A486 A487 A488 L507 L511 F515	I444-F447 HydrophobicContact CB-CD2 4.47Å; I444-F447 HydrophobicContact CG2-CD2 4.06Å; D445-F447 VanDerWaalsContact C-N 3.32Å; D445-F447 PolarHBondContact O-N 2.96Å; F447-K449 VanDerWaalsContact C-N 3.28Å; F447-K449 PolarHBondContact O-N 3.36Å; F447-M450 HydrophobicContact CD1-CE 4.14Å; F447-M450 HydrophobicContact CD2-CE 3.26Å; F447-M450 HydrophobicContact CD2-SD 4.14Å; F447-M450 HydrophobicContact CE1-CE 4.09Å; F447-M450 HydrophobicContact CE2-CE 3.22Å; F447-M450 HydrophobicContact CE2-SD 4.44Å; F447-M450 HydrophobicContact CG-CE 3.75Å; F447-M450 HydrophobicContact CZ-CE 3.64Å; F447-M450 PolarHBondContact O-N 2.95Å; F447-I458 HydrophobicContact CE2-CD1 3.99Å; F447-I458 HydrophobicContact CE2-CG2 4.41Å; F447-A486 HydrophobicContact CB-CB 4.16Å; F447-A486 HydrophobicContact CD2-CB 3.75Å; F447-A486 HydrophobicContact CE2-CB 4.32Å; F447-A486 HydrophobicContact CG-CB 3.99Å; F447-A487 VanDerWaalsContact CB-O 3.31Å; F447-A487 WeakPolarHBondContact CB-O 3.17Å; F447-A487 PolarHBondContact N-O 2.98Å; F447-A488 HydrophobicContact CB-CB 4.32Å; F447-L507 HydrophobicContact CD1-CD1 3.9Å; F447-L507 HydrophobicContact CD1-CD2 4.06Å; F447-L507 HydrophobicContact CE1-CD1 3.96Å; F447-L507 HydrophobicContact CE1-CD2 3.94Å; F447-L511 HydrophobicContact CE1-CD1 4.38Å; F447-F515 HydrophobicContact CE1-CE2 4.44Å; F447-F515 HydrophobicContact CE1-CZ 4.44Å; F447-F515 HydrophobicContact CE2-CZ 4.31Å; F447-F515 HydrophobicContact CZ-CE2 4.3Å; F447-F515 HydrophobicContact CZ-CZ 4.03Å
448	D	86.6	Confident	87.3	Confident	35 Å²	35	36.5 Å²	36.5	19%	0.187	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-63.8	-30.9	176.7	60.9	-61.8	0	0	0	112.9	E446 M450 R455 N489	E446-D448 PolarHBondContact O-N 3.24Å; E446-D448 VanDerWaalsContact O-N 3.16Å; D448-M450 VanDerWaalsContact C-N 3.34Å; D448-M450 PolarHBondContact O-N 3.05Å; D448-R455 PolarHBondContact O-NH2 3.43Å; D448-R455 VanDerWaalsContact O-NH2 3.13Å; D448-N489 PolarHBondContact OD1-N 2.99Å
449	K	86.1	Confident	87.3	Confident	78 Å²	78	37.2 Å²	37.2	34%	0.339	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-88.1	2.2	-175.1	-58.8	-175.7	-171	165.3	0	114.2	R407 E446 F447	R407-K449 HydrophobicContact CG-CB 3.84Å; R407-K449 HydrophobicContact CG-CD 4.41Å; E446-K449 HydrophobicContact CB-CB 4.43Å; E446-K449 HydrophobicContact CB-CD 4.21Å; E446-K449 HydrophobicContact CB-CG 4.38Å; E446-K449 PolarHBondContact O-N 3.35Å; E446-K449 IonicContact OE1-NZ 3.78Å; E446-K449 PolarHBondContact OE1-NZ 3.15Å; E446-K449 IonicContact OE2-NZ 3.93Å; F447-K449 VanDerWaalsContact C-N 3.28Å; F447-K449 PolarHBondContact O-N 3.36Å
450	M	85.9	Confident	87.4	Confident	7 Å²	7	34.2 Å²	34.2	3%	0.034	19%	0.189	C	C	.	.	S	Bend	trans	-69.5	143.1	177.6	-69.6	-168	-48.4	0	0	112.5	G406 I444 F447 D448 R455 I458	G406-M450 WeakPolarHBondContact O-CG 3.38Å; I444-M450 HydrophobicContact CG2-SD 4.02Å; F447-M450 HydrophobicContact CD1-CE 4.14Å; F447-M450 HydrophobicContact CD2-CE 3.26Å; F447-M450 HydrophobicContact CD2-SD 4.14Å; F447-M450 HydrophobicContact CE1-CE 4.09Å; F447-M450 HydrophobicContact CE2-CE 3.22Å; F447-M450 HydrophobicContact CE2-SD 4.44Å; F447-M450 HydrophobicContact CG-CE 3.75Å; F447-M450 HydrophobicContact CZ-CE 3.64Å; F447-M450 PolarHBondContact O-N 2.95Å; D448-M450 VanDerWaalsContact C-N 3.34Å; D448-M450 PolarHBondContact O-N 3.05Å; M450-R455 HydrophobicContact CE-CG 4.47Å; M450-R455 PolarHBondContact O-NE 2.98Å; M450-R455 PolarHBondContact O-NH2 3.31Å; M450-I458 HydrophobicContact CE-CD1 3.39Å; M450-I458 HydrophobicContact SD-CD1 3.73Å
451	A	85.6	Confident	87.4	Confident	55 Å²	55	34.2 Å²	34.2	46%	0.455	19%	0.188	S	C	.	.			trans	-64.1	150.4	173.8	0	0	0	0	0	111.6	A453 D454 R455	A451-A453 VanDerWaalsContact C-N 3.31Å; A451-A453 PolarHBondContact O-N 3.09Å; A451-D454 PolarHBondContact O-N 3.4Å; A451-D454 VanDerWaalsContact O-N 3.17Å; A451-R455 PolarHBondContact O-N 3.03Å
452	E	83.7	Confident	87.2	Confident	160 Å²	160	34.3 Å²	34.3	75%	0.748	19%	0.189	S	C	*	.	H	α-helix	trans	-64.1	-34.3	-176.7	-170.5	172.8	-173.2	0	0	113.2	D454 R455	E452-D454 VanDerWaalsContact C-N 3.3Å; E452-D454 PolarHBondContact O-N 2.97Å; E452-R455 WeakPolarHBondContact O-CB 3.33Å; E452-R455 PolarHBondContact O-N 3.5Å
453	A	80.8	Confident	86.8	Confident	67 Å²	67	38.7 Å²	38.7	55%	0.554	21%	0.209	S	C	*	.	H	α-helix	trans	-58.3	-41.6	174.1	0	0	0	0	0	112.2	A451 R455 T456	A451-A453 VanDerWaalsContact C-N 3.31Å; A451-A453 PolarHBondContact O-N 3.09Å; A453-R455 VanDerWaalsContact C-N 3.29Å; A453-R455 PolarHBondContact O-N 3.12Å; A453-T456 PolarHBondContact O-N 2.92Å; A453-T456 PolarHBondContact O-OG1 2.88Å
454	D	84.3	Confident	86.4	Confident	21 Å²	21	44.7 Å²	44.7	11%	0.112	24%	0.238	C	C	.	.	H	α-helix	trans	-72.4	-27.3	-177	-57.9	-16.1	0	0	0	111.5	G411 L414 A451 E452 T456 A457 I458	G411-D454 VanDerWaalsContact CA-CG 3.47Å; G411-D454 WeakPolarHBondContact CA-OD1 3.4Å; G411-D454 PolarHBondContact N-OD1 3.24Å; G411-D454 PolarHBondContact N-OD2 3.14Å; L414-D454 HydrophobicContact CD1-CB 4.05Å; A451-D454 PolarHBondContact O-N 3.4Å; A451-D454 VanDerWaalsContact O-N 3.17Å; E452-D454 VanDerWaalsContact C-N 3.3Å; E452-D454 PolarHBondContact O-N 2.97Å; D454-T456 VanDerWaalsContact C-N 3.27Å; D454-T456 PolarHBondContact O-N 3.09Å; D454-A457 PolarHBondContact O-N 3.3Å; D454-I458 PolarHBondContact O-N 3.3Å
455	R	83.4	Confident	86.2	Confident	41 Å²	41	45.7 Å²	45.7	16%	0.155	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-33.1	173.7	-61	175.4	-171.1	-164.4	-8.3	112	D448 M450 A451 E452 A453 A457 I458 H459 L511	D448-R455 PolarHBondContact O-NH2 3.43Å; D448-R455 VanDerWaalsContact O-NH2 3.13Å; M450-R455 HydrophobicContact CE-CG 4.47Å; M450-R455 PolarHBondContact O-NE 2.98Å; M450-R455 PolarHBondContact O-NH2 3.31Å; A451-R455 PolarHBondContact O-N 3.03Å; E452-R455 WeakPolarHBondContact O-CB 3.33Å; E452-R455 PolarHBondContact O-N 3.5Å; A453-R455 VanDerWaalsContact C-N 3.29Å; A453-R455 PolarHBondContact O-N 3.12Å; R455-A457 PolarHBondContact O-N 3.27Å; R455-I458 PolarHBondContact O-N 3.14Å; R455-H459 PolarHBondContact O-CD2 3.12Å; R455-H459 PolarHBondContact O-N 3.46Å; R455-L511 HydrophobicContact CG-CD1 4.5Å
456	T	84.1	Confident	86.1	Confident	93 Å²	93	46.3 Å²	46.3	57%	0.571	25%	0.247	S	C	*	.	H	α-helix	trans	-63.3	-40	176.9	68.6	0	0	0	0	112.7	A453 D454 I458 H459 E460	A453-T456 PolarHBondContact O-N 2.92Å; A453-T456 PolarHBondContact O-OG1 2.88Å; D454-T456 VanDerWaalsContact C-N 3.27Å; D454-T456 PolarHBondContact O-N 3.09Å; T456-I458 VanDerWaalsContact C-N 3.34Å; T456-I458 PolarHBondContact O-N 3.39Å; T456-H459 WeakPolarHBondContact O-CB 3.36Å; T456-H459 PolarHBondContact O-N 2.89Å; T456-E460 PolarHBondContact O-N 2.98Å; T456-E460 VanDerWaalsContact O-N 3.14Å
457	A	84.1	Confident	86.1	Confident	10 Å²	10	44 Å²	44	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-40.5	176.2	0	0	0	0	0	111.3	T415 D454 R455 H459 E460 V461	T415-A457 HydrophobicContact CG2-CB 3.4Å; T415-A457 VanDerWaalsContact CG2-CB 3.4Å; D454-A457 PolarHBondContact O-N 3.3Å; R455-A457 PolarHBondContact O-N 3.27Å; A457-H459 VanDerWaalsContact C-N 3.33Å; A457-H459 PolarHBondContact O-N 3.4Å; A457-E460 WeakPolarHBondContact O-CB 3.47Å; A457-E460 PolarHBondContact O-N 3.08Å; A457-V461 WeakPolarHBondContact O-CG2 3.21Å; A457-V461 PolarHBondContact O-N 3.47Å
458	I	87.3	Confident	86	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-36.7	177.4	-66.6	170.8	0	0	0	111.1	L434 I444 F447 M450 D454 R455 T456 E460 V461 M462 I484	L434-I458 HydrophobicContact CD1-CG1 4.46Å; I444-I458 HydrophobicContact CD1-CD1 4.2Å; F447-I458 HydrophobicContact CE2-CD1 3.99Å; F447-I458 HydrophobicContact CE2-CG2 4.41Å; M450-I458 HydrophobicContact CE-CD1 3.39Å; M450-I458 HydrophobicContact SD-CD1 3.73Å; D454-I458 PolarHBondContact O-N 3.3Å; R455-I458 PolarHBondContact O-N 3.14Å; T456-I458 VanDerWaalsContact C-N 3.34Å; T456-I458 PolarHBondContact O-N 3.39Å; I458-E460 VanDerWaalsContact C-N 3.31Å; I458-E460 PolarHBondContact O-N 3.36Å; I458-V461 PolarHBondContact O-N 2.82Å; I458-M462 HydrophobicContact CG2-CG 4.08Å; I458-M462 HydrophobicContact CG2-SD 3.88Å; I458-M462 WeakPolarHBondContact O-CB 3.26Å; I458-M462 VanDerWaalsContact O-CG 3.28Å; I458-M462 WeakPolarHBondContact O-CG 3.21Å; I458-M462 PolarHBondContact O-N 2.98Å; I458-I484 HydrophobicContact CG2-CD1 4.19Å
459	H	87.4	Confident	85.9	Confident	42 Å²	42	46 Å²	46	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-46.9	171	-76.3	-62.4	0	0	0	111.2	R455 T456 A457 E463 L511 R514	R455-H459 PolarHBondContact O-CD2 3.12Å; R455-H459 PolarHBondContact O-N 3.46Å; T456-H459 WeakPolarHBondContact O-CB 3.36Å; T456-H459 PolarHBondContact O-N 2.89Å; A457-H459 VanDerWaalsContact C-N 3.33Å; A457-H459 PolarHBondContact O-N 3.4Å; H459-E463 PolarHBondContact O-N 2.76Å; H459-L511 WeakPolarHBondContact CE1-CD2 3.34Å; H459-L511 WeakPolarHBondContact CE1-CG 3.47Å; H459-L511 VanDerWaalsContact ND1-CD2 3.32Å; H459-L511 WeakPolarHBondContact ND1-CD2 3.23Å; H459-L511 WeakPolarHBondContact NE2-CD2 3.41Å; H459-R514 VanDerWaalsContact C-NH1 3.29Å; H459-R514 PolarHBondContact ND1-NE 3.04Å; H459-R514 PolarHBondContact O-NH1 3.42Å
460	E	87.8	Confident	85.8	Confident	39 Å²	39	46 Å²	46	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-49.6	178.7	-159.4	-173.6	174.8	0	0	111.9	T456 A457 I458 M462 E463 Q464 T466 S468	T456-E460 PolarHBondContact O-N 2.98Å; T456-E460 VanDerWaalsContact O-N 3.14Å; A457-E460 WeakPolarHBondContact O-CB 3.47Å; A457-E460 PolarHBondContact O-N 3.08Å; I458-E460 VanDerWaalsContact C-N 3.31Å; I458-E460 PolarHBondContact O-N 3.36Å; E460-M462 PolarHBondContact O-N 2.66Å; E460-E463 PolarHBondContact O-N 3.11Å; E460-Q464 PolarHBondContact O-N 3.37Å; E460-T466 WeakPolarHBondContact CG-O 3.32Å; E460-S468 WeakPolarHBondContact OE1-CB 2.95Å; E460-S468 PolarHBondContact OE1-N 3.07Å; E460-S468 PolarHBondContact OE1-OG 3.31Å; E460-S468 PolarHBondContact OE2-N 3.24Å; E460-S468 PolarHBondContact OE2-OG 2.99Å
461	V	88.6	Confident	85.7	Confident	2 Å²	2	50 Å²	50	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-44	-179.6	174.5	0	0	0	0	112	L434 A457 I458 E463 Q465 I467 A480 I484	L434-V461 HydrophobicContact CD1-CG2 4.13Å; A457-V461 WeakPolarHBondContact O-CG2 3.21Å; A457-V461 PolarHBondContact O-N 3.47Å; I458-V461 PolarHBondContact O-N 2.82Å; V461-E463 VanDerWaalsContact C-N 3.35Å; V461-E463 PolarHBondContact O-N 2.87Å; V461-Q465 WeakPolarHBondContact O-CA 3.44Å; V461-Q465 PolarHBondContact O-N 2.99Å; V461-I467 HydrophobicContact CG2-CD1 3.68Å; V461-I467 HydrophobicContact CG2-CG1 3.33Å; V461-A480 HydrophobicContact CG1-CB 4.27Å; V461-A480 HydrophobicContact CG2-CB 4.21Å; V461-I484 HydrophobicContact CG1-CD1 4.34Å
462	M	87.9	Confident	85.5	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-38.9	-179.9	-73.7	-176.7	96.1	0	0	112.1	R372 N376 I458 E460 I484 R514 F515	R372-M462 VanDerWaalsContact CD-O 3.3Å; R372-M462 WeakPolarHBondContact CD-O 3.41Å; R372-M462 PolarHBondContact NH1-O 2.78Å; N376-M462 HydrophobicContact CB-CE 3.81Å; I458-M462 HydrophobicContact CG2-CG 4.08Å; I458-M462 HydrophobicContact CG2-SD 3.88Å; I458-M462 WeakPolarHBondContact O-CB 3.26Å; I458-M462 VanDerWaalsContact O-CG 3.28Å; I458-M462 WeakPolarHBondContact O-CG 3.21Å; I458-M462 PolarHBondContact O-N 2.98Å; E460-M462 PolarHBondContact O-N 2.66Å; M462-I484 HydrophobicContact CG-CD1 3.57Å; M462-I484 HydrophobicContact SD-CD1 4.44Å; M462-R514 HydrophobicContact CB-CB 4.38Å; M462-R514 HydrophobicContact CE-CB 3.7Å; M462-R514 VanDerWaalsContact CE-O 3.3Å; M462-R514 WeakPolarHBondContact CE-O 3.49Å; M462-R514 HydrophobicContact SD-CB 3.9Å; M462-F515 HydrophobicContact CE-CD1 3.73Å; M462-F515 HydrophobicContact CE-CD2 4.09Å; M462-F515 HydrophobicContact CE-CE1 3.68Å; M462-F515 HydrophobicContact CE-CE2 4.06Å; M462-F515 HydrophobicContact CE-CG 3.94Å; M462-F515 HydrophobicContact CE-CZ 3.86Å; M462-F515 HydrophobicContact SD-CZ 4.35Å
463	E	82.9	Confident	85.3	Confident	92 Å²	92	47 Å²	47	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-84.1	-47.5	-176	-165.4	74.7	-168.9	0	0	112.4	H459 E460 V461 R514 R604	H459-E463 PolarHBondContact O-N 2.76Å; E460-E463 PolarHBondContact O-N 3.11Å; V461-E463 VanDerWaalsContact C-N 3.35Å; V461-E463 PolarHBondContact O-N 2.87Å; E463-R514 IonicContact OE2-CZ 3.91Å; E463-R514 IonicContact OE2-NH1 3.76Å; E463-R604 IonicContact OE1-NH2 2.59Å; E463-R604 IonicContact OE2-CZ 3.84Å; E463-R604 IonicContact OE2-NE 3.09Å; E463-R604 IonicContact OE2-NH2 2.96Å; E463-R604 PolarHBondContact OE2-NH2 3.29Å
464	Q	85.3	Confident	85.4	Confident	126 Å²	126	45.5 Å²	45.5	59%	0.589	28%	0.276	S	S	*	.	H	α-helix	trans	-106.8	-12.8	-168.4	-64.1	-179.9	-9.2	0	0	113.3	E460 T466	E460-Q464 PolarHBondContact O-N 3.37Å; Q464-T466 WeakPolarHBondContact CB-OG1 3.16Å; Q464-T466 PolarHBondContact O-N 3.02Å
465	Q	89	Confident	85.5	Confident	21 Å²	21	51.5 Å²	51.5	10%	0.098	31%	0.308	C	S	.	.	S	Bend	trans	55	29.3	-171.6	-62.2	175.4	-45.1	0	0	112.9	R372 N374 V461 A480 R481	R372-Q465 HydrophobicContact CB-CG 4.25Å; N374-Q465 PolarHBondContact ND2-NE2 2.96Å; N374-Q465 VanDerWaalsContact ND2-NE2 3.12Å; V461-Q465 WeakPolarHBondContact O-CA 3.44Å; V461-Q465 PolarHBondContact O-N 2.99Å; Q465-A480 CarbonylContact C-O 3.51Å; Q465-A480 CarbonylContact O-C 3.53Å; Q465-A480 VanDerWaalsContact O-C 3.31Å; Q465-A480 PolarHBondContact O-N 2.83Å; Q465-R481 HydrophobicContact CB-CG 4.08Å
466	T	89.1	Confident	85.7	Confident	30 Å²	30	52 Å²	52	18%	0.184	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154	178.1	56.2	0	0	0	0	110	E460 Q464 L478	E460-T466 WeakPolarHBondContact CG-O 3.32Å; Q464-T466 WeakPolarHBondContact CB-OG1 3.16Å; Q464-T466 PolarHBondContact O-N 3.02Å; T466-L478 CarbonylContact C-O 3.52Å; T466-L478 VanDerWaalsContact CA-O 3.28Å; T466-L478 WeakPolarHBondContact CA-O 3.44Å
467	I	88.8	Confident	85.8	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.5	174.3	-58.5	177.4	0	0	0	107.5	T415 L434 V435 V461 I469 T477 L478 A480	T415-I467 HydrophobicContact CG2-CG2 3.99Å; L434-I467 HydrophobicContact CB-CD1 3.99Å; L434-I467 HydrophobicContact CD1-CD1 4.49Å; V435-I467 HydrophobicContact CG2-CD1 3.84Å; V461-I467 HydrophobicContact CG2-CD1 3.68Å; V461-I467 HydrophobicContact CG2-CG1 3.33Å; I467-I469 HydrophobicContact CG2-CD1 4.32Å; I467-I469 HydrophobicContact CG2-CG1 3.97Å; I467-T477 CarbonylContact O-C 3.59Å; I467-T477 WeakPolarHBondContact O-CA 3.35Å; I467-L478 PolarHBondContact N-O 3.32Å; I467-L478 PolarHBondContact O-N 2.74Å; I467-A480 HydrophobicContact CD1-CB 3.9Å; I467-A480 HydrophobicContact CG1-CB 3.98Å
468	S	86.3	Confident	85.9	Confident	69 Å²	69	53.7 Å²	53.7	48%	0.483	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.6	174.3	57.7	0	0	0	0	110.2	E460	E460-S468 WeakPolarHBondContact OE1-CB 2.95Å; E460-S468 PolarHBondContact OE1-N 3.07Å; E460-S468 PolarHBondContact OE1-OG 3.31Å; E460-S468 PolarHBondContact OE2-N 3.24Å; E460-S468 PolarHBondContact OE2-OG 2.99Å
469	I	85.9	Confident	85.9	Confident	8 Å²	8	58 Å²	58	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.8	179.3	-55.8	-176.3	0	0	0	108.4	A416 I467 K471 I474 L475 T476 L478	A416-I469 HydrophobicContact CB-CD1 3.23Å; I467-I469 HydrophobicContact CG2-CD1 4.32Å; I467-I469 HydrophobicContact CG2-CG1 3.97Å; I469-K471 HydrophobicContact CG2-CB 4.06Å; I469-K471 HydrophobicContact CG2-CD 4.26Å; I469-K471 HydrophobicContact CG2-CG 4.1Å; I469-I474 VanDerWaalsContact O-O 3.05Å; I469-L475 WeakPolarHBondContact O-CA 3.49Å; I469-T476 PolarHBondContact N-O 3.38Å; I469-T476 PolarHBondContact O-N 2.7Å; I469-L478 HydrophobicContact CD1-CD1 3.79Å
470	A	83.9	Confident	85.9	Confident	77 Å²	77	56 Å²	56	64%	0.636	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	74.1	173.6	0	0	0	0	0	109.1	I474 L475	A470-I474 WeakPolarHBondContact CA-O 3.43Å; A470-L475 HydrophobicContact CB-CD2 3.5Å; A470-L475 VanDerWaalsContact CB-CD2 3.5Å
471	K	83.7	Confident	85.9	Confident	93 Å²	93	58.1 Å²	58.1	40%	0.404	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.8	-177.2	-68.8	-178.6	-176.1	170	0	110.9	V418 I469 G473 I474	V418-K471 HydrophobicContact CG2-CB 4Å; I469-K471 HydrophobicContact CG2-CB 4.06Å; I469-K471 HydrophobicContact CG2-CD 4.26Å; I469-K471 HydrophobicContact CG2-CG 4.1Å; K471-G473 PolarHBondContact O-N 3.25Å; K471-G473 VanDerWaalsContact O-N 3.12Å; K471-I474 PolarHBondContact N-O 2.84Å; K471-I474 VanDerWaalsContact N-O 3.15Å; K471-I474 PolarHBondContact O-N 2.92Å
472	A	81.2	Confident	86	Confident	68 Å²	68	58.2 Å²	58.2	56%	0.562	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.6	174.1	0	0	0	0	0	115	V418 L427 I474	V418-A472 HydrophobicContact CG1-CB 4.16Å; L427-A472 HydrophobicContact CD1-CB 4.05Å; A472-I474 VanDerWaalsContact C-N 3.28Å; A472-I474 PolarHBondContact O-N 2.92Å
473	G	79.1	Confident	86.1	Confident	83 Å²	83	58.4 Å²	58.4	86%	0.856	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-0.7	-179.7	0	0	0	0	0	114.9	K471	K471-G473 PolarHBondContact O-N 3.25Å; K471-G473 VanDerWaalsContact O-N 3.12Å
474	I	82.9	Confident	86.6	Confident	35 Å²	35	54 Å²	54	18%	0.179	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.3	174.3	-53.9	174.8	0	0	0	108.1	V418 L427 L429 I469 A470 K471 A472 T476	V418-I474 HydrophobicContact CG1-CD1 4.08Å; L427-I474 HydrophobicContact CB-CD1 4.01Å; L429-I474 HydrophobicContact CD1-CG2 3.99Å; L429-I474 HydrophobicContact CD2-CD1 4.48Å; L429-I474 HydrophobicContact CG-CD1 4.29Å; I469-I474 VanDerWaalsContact O-O 3.05Å; A470-I474 WeakPolarHBondContact CA-O 3.43Å; K471-I474 PolarHBondContact N-O 2.84Å; K471-I474 VanDerWaalsContact N-O 3.15Å; K471-I474 PolarHBondContact O-N 2.92Å; A472-I474 VanDerWaalsContact C-N 3.28Å; A472-I474 PolarHBondContact O-N 2.92Å; I474-T476 HydrophobicContact CG2-CG2 3.51Å; I474-T476 WeakPolarHBondContact CG2-OG1 3Å
475	L	87.6	Confident	87.1	Confident	148 Å²	148	48 Å²	48	78%	0.775	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	91.9	172.2	-69.3	169	0	0	0	107.6	I469 A470	I469-L475 WeakPolarHBondContact O-CA 3.49Å; A470-L475 HydrophobicContact CB-CD2 3.5Å; A470-L475 VanDerWaalsContact CB-CD2 3.5Å
476	T	85.8	Confident	87.2	Confident	52 Å²	52	47 Å²	47	32%	0.319	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.2	-176.5	53.3	0	0	0	0	111	L429 I469 I474	L429-T476 WeakPolarHBondContact CD1-OG1 3.21Å; I469-T476 PolarHBondContact N-O 3.38Å; I469-T476 PolarHBondContact O-N 2.7Å; I474-T476 HydrophobicContact CG2-CG2 3.51Å; I474-T476 WeakPolarHBondContact CG2-OG1 3Å
477	T	86.9	Confident	87.4	Confident	96 Å²	96	45.6 Å²	45.6	59%	0.589	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.4	168.6	49.7	0	0	0	0	109.1	I467	I467-T477 CarbonylContact O-C 3.59Å; I467-T477 WeakPolarHBondContact O-CA 3.35Å
478	L	86.2	Confident	87.4	Confident	41 Å²	41	45.6 Å²	45.6	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.5	172.8	-64.2	175.7	0	0	0	108.8	A416 V435 T466 I467 I469	A416-L478 HydrophobicContact CB-CD1 3.79Å; V435-L478 HydrophobicContact CG1-CD1 4.44Å; V435-L478 HydrophobicContact CG2-CB 4.37Å; V435-L478 HydrophobicContact CG2-CD1 4.11Å; T466-L478 CarbonylContact C-O 3.52Å; T466-L478 VanDerWaalsContact CA-O 3.28Å; T466-L478 WeakPolarHBondContact CA-O 3.44Å; I467-L478 PolarHBondContact N-O 3.32Å; I467-L478 PolarHBondContact O-N 2.74Å; I469-L478 HydrophobicContact CD1-CD1 3.79Å
479	N	87	Confident	87.5	Confident	91 Å²	91	44.2 Å²	44.2	49%	0.487	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135.1	174.9	-64	-24.1	0	0	0	109.5
480	A	87.7	Confident	87.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.271	C	S	.	.			trans	-138.8	70.8	177.3	0	0	0	0	0	108.8	V461 Q465 I467 C482	V461-A480 HydrophobicContact CG1-CB 4.27Å; V461-A480 HydrophobicContact CG2-CB 4.21Å; Q465-A480 CarbonylContact C-O 3.51Å; Q465-A480 CarbonylContact O-C 3.53Å; Q465-A480 VanDerWaalsContact O-C 3.31Å; Q465-A480 PolarHBondContact O-N 2.83Å; I467-A480 HydrophobicContact CD1-CB 3.9Å; I467-A480 HydrophobicContact CG1-CB 3.98Å; A480-C482 PolarHBondContact O-N 2.82Å
481	R	88.2	Confident	87.3	Confident	84 Å²	84	43 Å²	43	32%	0.317	26%	0.261	S	S	.	.			trans	-82.2	54.6	176.8	-54.6	164.8	-69	174.9	-1.1	109.9	N374 D438 Q439 Q465	N374-R481 VanDerWaalsContact ND2-C 3.27Å; N374-R481 PolarHBondContact ND2-O 2.83Å; D438-R481 WeakPolarHBondContact OD1-CA 3.19Å; D438-R481 WeakPolarHBondContact OD1-CB 3.32Å; D438-R481 PolarHBondContact OD1-N 3.33Å; D438-R481 IonicContact OD1-NE 2.77Å; D438-R481 PolarHBondContact OD1-NE 2.88Å; D438-R481 IonicContact OD1-NH2 2.69Å; D438-R481 IonicContact OD2-CZ 3.53Å; D438-R481 IonicContact OD2-NE 3.17Å; D438-R481 IonicContact OD2-NH2 3Å; D438-R481 PolarHBondContact OD2-NH2 2.91Å; Q439-R481 WeakPolarHBondContact CA-O 3.37Å; Q439-R481 PolarHBondContact N-O 3.45Å; Q439-R481 VanDerWaalsContact NE2-NH2 3.16Å; Q465-R481 HydrophobicContact CB-CG 4.08Å
482	C	89.7	Confident	87.2	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.027	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-91.6	154.2	176	58.4	0	0	0	0	110.6	N374 A437 A480	N374-C482 PolarHBondContact ND2-O 3Å; A437-C482 HydrophobicContact CB-CB 4.22Å; A437-C482 VanDerWaalsContact O-CB 3.24Å; A437-C482 WeakPolarHBondContact O-CB 3.25Å; A480-C482 PolarHBondContact O-N 2.82Å
483	S	92	Very high	87.1	Confident	6 Å²	6	43.7 Å²	43.7	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.8	165.2	-59.2	0	0	0	0	108.3	N374 I375 G440 V441 C442	N374-S483 WeakPolarHBondContact CB-OG 3.24Å; I375-S483 WeakPolarHBondContact O-CB 3.49Å; G440-S483 PolarHBondContact O-N 3.22Å; V441-S483 CarbonylContact C-O 3.5Å; V441-S483 WeakPolarHBondContact CA-O 3.41Å; C442-S483 PolarHBondContact N-O 2.98Å
484	I	93.3	Very high	87.2	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.5	-176.3	-64.1	164.4	0	0	0	109.4	N376 I377 I444 I458 V461 M462 A486 F515	N376-I484 WeakPolarHBondContact CA-O 3.5Å; N376-I484 PolarHBondContact OD1-N 3.19Å; I377-I484 PolarHBondContact N-O 3.17Å; I444-I484 HydrophobicContact CD1-CG2 4.08Å; I458-I484 HydrophobicContact CG2-CD1 4.19Å; V461-I484 HydrophobicContact CG1-CD1 4.34Å; M462-I484 HydrophobicContact CG-CD1 3.57Å; M462-I484 HydrophobicContact SD-CD1 4.44Å; I484-A486 HydrophobicContact CG2-CB 4.43Å; I484-F515 HydrophobicContact CG2-CE1 4.37Å
485	L	94.3	Very high	87.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.9	166.1	-178.3	60.5	0	0	0	108.6	L354 L357 I377 L379 L391 I394 V441 C442 C443 I444	L354-L485 HydrophobicContact CD2-CD1 3.64Å; L354-L485 HydrophobicContact CD2-CD2 3.99Å; L357-L485 HydrophobicContact CD2-CB 3.86Å; L357-L485 HydrophobicContact CD2-CD1 4.02Å; L357-L485 HydrophobicContact CD2-CD2 4.08Å; L357-L485 HydrophobicContact CD2-CG 4.2Å; I377-L485 HydrophobicContact CB-CD1 3.96Å; I377-L485 HydrophobicContact CG2-CD1 4.17Å; I377-L485 WeakPolarHBondContact O-CA 3.26Å; L379-L485 HydrophobicContact CD1-CD1 4.45Å; L379-L485 HydrophobicContact CG-CD1 4.32Å; L391-L485 HydrophobicContact CD2-CB 4.2Å; L391-L485 HydrophobicContact CD2-CD2 3.65Å; L391-L485 HydrophobicContact CD2-CG 3.58Å; L391-L485 HydrophobicContact CG-CD2 4.29Å; L391-L485 HydrophobicContact CG-CG 4.49Å; I394-L485 HydrophobicContact CB-CD2 4.37Å; I394-L485 HydrophobicContact CD1-CD2 3.38Å; I394-L485 HydrophobicContact CG1-CD2 4.48Å; I394-L485 HydrophobicContact CG2-CD2 4.25Å; V441-L485 HydrophobicContact CG1-CB 4.11Å; C442-L485 PolarHBondContact O-N 3.46Å; C443-L485 WeakPolarHBondContact CA-O 3.35Å; I444-L485 PolarHBondContact N-O 3.03Å
486	A	92.4	Very high	86.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.5	-178.9	0	0	0	0	0	110.7	I377 C378 L379 I444 F447 I484 F515	I377-A486 PolarHBondContact O-N 3.46Å; C378-A486 CarbonylContact C-O 3.59Å; C378-A486 VanDerWaalsContact CA-O 3.28Å; C378-A486 WeakPolarHBondContact CA-O 3.34Å; C378-A486 HydrophobicContact CB-CB 4.37Å; L379-A486 PolarHBondContact N-O 3.23Å; I444-A486 CarbonylContact O-C 3.53Å; I444-A486 WeakPolarHBondContact O-CA 3.47Å; F447-A486 HydrophobicContact CB-CB 4.16Å; F447-A486 HydrophobicContact CD2-CB 3.75Å; F447-A486 HydrophobicContact CE2-CB 4.32Å; F447-A486 HydrophobicContact CG-CB 3.99Å; I484-A486 HydrophobicContact CG2-CB 4.43Å; A486-F515 HydrophobicContact CB-CE1 4.11Å; A486-F515 HydrophobicContact CB-CZ 4.12Å
487	A	92.1	Very high	86.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.9	160.8	0	0	0	0	0	110.1	L379 K387 L391 I444 E446 F447	L379-A487 CarbonylContact O-C 3.47Å; L379-A487 WeakPolarHBondContact O-CA 3.2Å; K387-A487 HydrophobicContact CB-CB 4.33Å; K387-A487 HydrophobicContact CD-CB 4.35Å; L391-A487 HydrophobicContact CD1-CB 3.43Å; L391-A487 VanDerWaalsContact CD1-CB 3.43Å; I444-A487 PolarHBondContact O-N 2.89Å; E446-A487 PolarHBondContact N-O 2.94Å; F447-A487 VanDerWaalsContact CB-O 3.31Å; F447-A487 WeakPolarHBondContact CB-O 3.17Å; F447-A487 PolarHBondContact N-O 2.98Å
488	A	89.8	Confident	86	Confident	2 Å²	2	54.7 Å²	54.7	2%	0.017	26%	0.262	C	S	.	.			trans	-131.8	149.6	176.8	0	0	0	0	0	110.3	L379 M380 K387 F447	L379-A488 PolarHBondContact O-N 3.05Å; M380-A488 WeakPolarHBondContact CA-O 3.35Å; M380-A488 HydrophobicContact CG-CB 4.36Å; K387-A488 PolarHBondContact NZ-O 3.43Å; F447-A488 HydrophobicContact CB-CB 4.32Å
489	N	88.9	Confident	85.5	Confident	40 Å²	40	57.6 Å²	57.6	21%	0.214	27%	0.271	C	S	.	.			trans	-109.5	145.5	173.7	-63.9	-34.9	0	0	0	110	K387 D448	K387-N489 PolarHBondContact NZ-OD1 2.89Å; K387-N489 VanDerWaalsContact NZ-OD1 3.15Å; D448-N489 PolarHBondContact OD1-N 2.99Å
490	P	85.6	Confident	84.9	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.039	27%	0.265	C	S	.	.			trans	-56.7	148	170.2	-23.9	32.2	0	0	0	111.4	G381 Y492 G493	G381-P490 WeakPolarHBondContact O-CD 3.44Å; P490-Y492 PolarHBondContact O-N 3Å; P490-G493 PolarHBondContact O-N 2.73Å
491	A	79.3	Confident	84.2	Confident	52 Å²	52	57 Å²	57	43%	0.43	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.6	-172.6	0	0	0	0	0	114.5	N504	A491-N504 PolarHBondContact N-O 3.43Å
492	Y	81.6	Confident	83.5	Confident	149 Å²	149	58.8 Å²	58.8	58%	0.584	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	15.8	179.3	-58.7	-78	0	0	0	113.2	P490 R494 R499	P490-Y492 PolarHBondContact O-N 3Å; Y492-R494 PolarHBondContact O-N 2.94Å; Y492-R499 VanDerWaalsContact CZ-NH1 3.27Å; Y492-R499 PolarHBondContact OH-NH1 3.13Å
493	G	79.4	Confident	82.9	Confident	28 Å²	28	64 Å²	64	29%	0.289	31%	0.307	S	S	.	.	S	Bend	trans	74.3	-28.8	-176.3	0	0	0	0	0	114.2	P383 P490	P383-G493 WeakPolarHBondContact CD-O 3.29Å; P490-G493 PolarHBondContact O-N 2.73Å
494	R	80.6	Confident	82.2	Confident	185 Å²	185	63.8 Å²	63.8	70%	0.698	31%	0.305	S	S	*	.	S	Bend	trans	-119.7	144.5	173.1	-70.6	-172.9	178.4	-171	-3	112.6	D382 Y492 N496	D382-R494 VanDerWaalsContact OD1-CA 3.26Å; D382-R494 WeakPolarHBondContact OD1-CA 3.47Å; Y492-R494 PolarHBondContact O-N 2.94Å; R494-N496 PolarHBondContact O-N 2.84Å
495	Y	81.3	Confident	81.3	Confident	34 Å²	34	64.1 Å²	64.1	13%	0.133	31%	0.307	C	S	.	.			trans	-70.6	121.8	173.5	-168.8	-100.4	0	0	0	111.5	D382 L501 N504 L520	D382-Y495 PolarHBondContact OD1-N 3.24Å; Y495-L501 HydrophobicContact CE2-CD1 4.15Å; Y495-N504 HydrophobicContact CD2-CB 4.24Å; Y495-N504 HydrophobicContact CE2-CB 4.03Å; Y495-N504 VanDerWaalsContact CE2-ND2 3.34Å; Y495-N504 WeakPolarHBondContact CE2-ND2 3.46Å; Y495-L520 HydrophobicContact CD1-CD2 4.35Å; Y495-L520 HydrophobicContact CD2-CD1 3.74Å; Y495-L520 HydrophobicContact CD2-CD2 4.21Å; Y495-L520 HydrophobicContact CE1-CD2 4.32Å; Y495-L520 HydrophobicContact CE2-CD1 3.72Å; Y495-L520 HydrophobicContact CE2-CD2 4.18Å; Y495-L520 HydrophobicContact CG-CD2 4.28Å
496	N	81.3	Confident	80.5	Confident	68 Å²	68	70.8 Å²	70.8	36%	0.364	34%	0.338	S	S	.	.			trans	-99.2	113.7	176.4	-77.6	-41	0	0	0	110.3	R494 R498 R499 N504	R494-N496 PolarHBondContact O-N 2.84Å; N496-R498 PolarHBondContact O-N 3.04Å; N496-R498 VanDerWaalsContact O-N 3.12Å; N496-R499 PolarHBondContact O-N 2.85Å; N496-N504 PolarHBondContact O-ND2 2.81Å
497	P	76.1	Confident	79.8	Confident	111 Å²	111	71.1 Å²	71.1	72%	0.721	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.5	-176.1	28.1	-35.7	0	0	0	113.9
498	R	78.4	Confident	79.3	Confident	246 Å²	246	74.2 Å²	74.2	93%	0.928	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.9	178.6	-66.2	-173.8	179.3	170	0.5	113.8	N496	N496-R498 PolarHBondContact O-N 3.04Å; N496-R498 VanDerWaalsContact O-N 3.12Å
499	R	77.5	Confident	78.7	Confident	103 Å²	103	76.1 Å²	76.1	39%	0.389	38%	0.376	S	S	.	.	S	Bend	trans	-106	151.3	180	-69.9	-171.9	-178.2	-167.8	3.8	109.5	Y492 N496 N504	Y492-R499 VanDerWaalsContact CZ-NH1 3.27Å; Y492-R499 PolarHBondContact OH-NH1 3.13Å; N496-R499 PolarHBondContact O-N 2.85Å; R499-N504 WeakPolarHBondContact CB-OD1 3.47Å; R499-N504 PolarHBondContact O-ND2 2.83Å
500	S	74.4	Confident	78.3	Confident	52 Å²	52	77 Å²	77	36%	0.364	39%	0.388	S	S	.	.			trans	-65.2	154.7	174.6	63.1	0	0	0	0	110.9	E502 Q503 N504	S500-E502 PolarHBondContact O-N 2.81Å; S500-Q503 PolarHBondContact O-N 2.82Å; S500-Q503 VanDerWaalsContact O-N 3.16Å; S500-Q503 WeakPolarHBondContact OG-CG 3.23Å; S500-N504 PolarHBondContact O-N 2.84Å; S500-N504 VanDerWaalsContact O-N 3.13Å
501	L	71.2	Confident	78.2	Confident	27 Å²	27	76.7 Å²	76.7	14%	0.141	39%	0.387	C	S	.	.	H	α-helix	trans	-52.7	-41.5	-180	-173.1	64.2	0	0	0	112.4	Y495 N504 I505 T599 L644	Y495-L501 HydrophobicContact CE2-CD1 4.15Å; L501-N504 PolarHBondContact O-N 3.17Å; L501-I505 HydrophobicContact CD1-CD1 3.26Å; L501-I505 HydrophobicContact CD1-CG1 4.47Å; L501-I505 HydrophobicContact CG-CD1 3.71Å; L501-I505 PolarHBondContact O-N 3.11Å; L501-I505 VanDerWaalsContact O-N 3.16Å; L501-T599 HydrophobicContact CD2-CG2 4.24Å; L501-L644 HydrophobicContact CD1-CD2 3.78Å; L501-L644 HydrophobicContact CD2-CD1 4.15Å; L501-L644 HydrophobicContact CD2-CD2 4.35Å
502	E	73.6	Confident	78.4	Confident	120 Å²	120	74.9 Å²	74.9	56%	0.561	37%	0.37	S	S	*	.	H	α-helix	trans	-63.8	-43.2	-179.3	-59.9	-178.9	166.5	0	0	112.6	S500 N504 I505 Q506	S500-E502 PolarHBondContact O-N 2.81Å; E502-N504 VanDerWaalsContact C-N 3.3Å; E502-N504 PolarHBondContact O-N 2.74Å; E502-I505 PolarHBondContact O-N 3.39Å; E502-Q506 PolarHBondContact O-N 2.86Å
503	Q	77.2	Confident	78.4	Confident	114 Å²	114	68.8 Å²	68.8	53%	0.533	35%	0.349	S	S	.	.	H	α-helix	trans	-71.2	-27.9	178.9	-68.8	178.8	0.1	0	0	112.3	S500	S500-Q503 PolarHBondContact O-N 2.82Å; S500-Q503 VanDerWaalsContact O-N 3.16Å; S500-Q503 WeakPolarHBondContact OG-CG 3.23Å
504	N	78.8	Confident	78.8	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-75.5	-30.7	177.5	-79.2	-23.6	0	0	0	112.6	A491 Y495 N496 R499 S500 L501 E502	A491-N504 PolarHBondContact N-O 3.43Å; Y495-N504 HydrophobicContact CD2-CB 4.24Å; Y495-N504 HydrophobicContact CE2-CB 4.03Å; Y495-N504 VanDerWaalsContact CE2-ND2 3.34Å; Y495-N504 WeakPolarHBondContact CE2-ND2 3.46Å; N496-N504 PolarHBondContact O-ND2 2.81Å; R499-N504 WeakPolarHBondContact CB-OD1 3.47Å; R499-N504 PolarHBondContact O-ND2 2.83Å; S500-N504 PolarHBondContact O-N 2.84Å; S500-N504 VanDerWaalsContact O-N 3.13Å; L501-N504 PolarHBondContact O-N 3.17Å; E502-N504 VanDerWaalsContact C-N 3.3Å; E502-N504 PolarHBondContact O-N 2.74Å
505	I	74.4	Confident	79.2	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-104.5	-13.4	-167.5	-68.9	160.6	0	0	0	113.8	M380 L501 E502 L507	M380-I505 HydrophobicContact CE-CD1 4.29Å; M380-I505 HydrophobicContact CE-CG2 3.77Å; M380-I505 HydrophobicContact SD-CD1 3.39Å; M380-I505 WeakPolarHBondContact SD-CD1 3.36Å; M380-I505 HydrophobicContact SD-CG1 4Å; M380-I505 HydrophobicContact SD-CG2 4.11Å; L501-I505 HydrophobicContact CD1-CD1 3.26Å; L501-I505 HydrophobicContact CD1-CG1 4.47Å; L501-I505 HydrophobicContact CG-CD1 3.71Å; L501-I505 PolarHBondContact O-N 3.11Å; L501-I505 VanDerWaalsContact O-N 3.16Å; E502-I505 PolarHBondContact O-N 3.39Å; I505-L507 HydrophobicContact CG2-CB 3.9Å; I505-L507 HydrophobicContact CG2-CD1 3.67Å; I505-L507 HydrophobicContact CG2-CG 3.77Å; I505-L507 PolarHBondContact O-N 2.75Å
506	Q	77.3	Confident	79.6	Confident	140 Å²	140	60 Å²	60	65%	0.654	31%	0.308	S	S	*	.			trans	51.5	26	176.9	-162	64.5	20	0	0	113.6	E502	E502-Q506 PolarHBondContact O-N 2.86Å
507	L	77.6	Confident	80	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.037	29%	0.291	C	S	.	.			trans	-114.9	134.9	174.4	-65.3	175.5	0	0	0	109.5	M380 F447 I505 L511 L512	M380-L507 HydrophobicContact CE-CD1 4.18Å; F447-L507 HydrophobicContact CD1-CD1 3.9Å; F447-L507 HydrophobicContact CD1-CD2 4.06Å; F447-L507 HydrophobicContact CE1-CD1 3.96Å; F447-L507 HydrophobicContact CE1-CD2 3.94Å; I505-L507 HydrophobicContact CG2-CB 3.9Å; I505-L507 HydrophobicContact CG2-CD1 3.67Å; I505-L507 HydrophobicContact CG2-CG 3.77Å; I505-L507 PolarHBondContact O-N 2.75Å; L507-L511 HydrophobicContact CD2-CD1 4.38Å; L507-L512 HydrophobicContact CB-CD2 4.38Å; L507-L512 HydrophobicContact CD1-CD2 4.23Å
508	P	80.5	Confident	80.6	Confident	66 Å²	66	52.9 Å²	52.9	43%	0.429	26%	0.263	S	S	.	.			trans	-58.2	139.5	172.4	-23.4	31.7	0	0	0	112.2	A510 L511 L512	P508-A510 PolarHBondContact O-N 3.01Å; P508-L511 PolarHBondContact O-N 2.95Å; P508-L512 PolarHBondContact O-N 2.96Å
509	A	77.1	Confident	81.1	Confident	42 Å²	42	41.6 Å²	41.6	35%	0.347	22%	0.221	S	C	.	.	H	α-helix	trans	-55.9	-27.4	176	0	0	0	0	0	113.2	L511 L512 S513	A509-L511 VanDerWaalsContact C-N 3.29Å; A509-L511 PolarHBondContact O-N 3.38Å; A509-L512 PolarHBondContact O-N 2.77Å; A509-S513 PolarHBondContact O-N 2.7Å
510	A	81.4	Confident	81.5	Confident	57 Å²	57	37 Å²	37	47%	0.471	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-33.8	174.7	0	0	0	0	0	113.4	P508 S513 R514	P508-A510 PolarHBondContact O-N 3.01Å; A510-S513 PolarHBondContact O-OG 3.01Å; A510-R514 WeakPolarHBondContact O-CG 3.48Å
511	L	83.8	Confident	82.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-74.7	-47.2	172.9	-81.6	172.9	0	0	0	111.1	F447 R455 H459 L507 P508 A509 S513 R514 F515	F447-L511 HydrophobicContact CE1-CD1 4.38Å; R455-L511 HydrophobicContact CG-CD1 4.5Å; H459-L511 WeakPolarHBondContact CE1-CD2 3.34Å; H459-L511 WeakPolarHBondContact CE1-CG 3.47Å; H459-L511 VanDerWaalsContact ND1-CD2 3.32Å; H459-L511 WeakPolarHBondContact ND1-CD2 3.23Å; H459-L511 WeakPolarHBondContact NE2-CD2 3.41Å; L507-L511 HydrophobicContact CD2-CD1 4.38Å; P508-L511 PolarHBondContact O-N 2.95Å; A509-L511 VanDerWaalsContact C-N 3.29Å; A509-L511 PolarHBondContact O-N 3.38Å; L511-S513 PolarHBondContact O-N 3.09Å; L511-R514 WeakPolarHBondContact O-CB 3.39Å; L511-R514 PolarHBondContact O-N 3.12Å; L511-F515 WeakPolarHBondContact O-CD2 3.33Å
512	L	82.5	Confident	82.7	Confident	13 Å²	13	36.1 Å²	36.1	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-38.8	-178.2	-63.2	177.5	0	0	0	111.8	M380 L507 P508 A509 R514 F515 L518	M380-L512 HydrophobicContact CE-CD2 3.62Å; L507-L512 HydrophobicContact CB-CD2 4.38Å; L507-L512 HydrophobicContact CD1-CD2 4.23Å; P508-L512 PolarHBondContact O-N 2.96Å; A509-L512 PolarHBondContact O-N 2.77Å; L512-R514 PolarHBondContact O-N 2.79Å; L512-R514 VanDerWaalsContact O-N 3.11Å; L512-F515 PolarHBondContact O-N 3.34Å; L512-L518 HydrophobicContact CB-CD1 4.34Å; L512-L518 HydrophobicContact CD2-CD2 4.08Å
513	S	82.9	Confident	83.2	Confident	22 Å²	22	34.8 Å²	34.8	15%	0.154	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.3	176.9	75.3	0	0	0	0	115	A509 A510 L511 R604	A509-S513 PolarHBondContact O-N 2.7Å; A510-S513 PolarHBondContact O-OG 3.01Å; L511-S513 PolarHBondContact O-N 3.09Å; S513-R604 WeakPolarHBondContact O-CD 3.42Å; S513-R604 PolarHBondContact OG-NH1 3.3Å
514	R	87.5	Confident	83.4	Confident	43 Å²	43	35.2 Å²	35.2	16%	0.162	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-15.1	-179.4	-63.6	173.1	-176.3	-126.8	-0.4	112.9	R372 H459 M462 E463 A510 L511 L512	R372-R514 PolarHBondContact NH1-O 3.01Å; R372-R514 PolarHBondContact NH2-O 3.34Å; H459-R514 VanDerWaalsContact C-NH1 3.29Å; H459-R514 PolarHBondContact ND1-NE 3.04Å; H459-R514 PolarHBondContact O-NH1 3.42Å; M462-R514 HydrophobicContact CB-CB 4.38Å; M462-R514 HydrophobicContact CE-CB 3.7Å; M462-R514 VanDerWaalsContact CE-O 3.3Å; M462-R514 WeakPolarHBondContact CE-O 3.49Å; M462-R514 HydrophobicContact SD-CB 3.9Å; E463-R514 IonicContact OE2-CZ 3.91Å; E463-R514 IonicContact OE2-NH1 3.76Å; A510-R514 WeakPolarHBondContact O-CG 3.48Å; L511-R514 WeakPolarHBondContact O-CB 3.39Å; L511-R514 PolarHBondContact O-N 3.12Å; L512-R514 PolarHBondContact O-N 2.79Å; L512-R514 VanDerWaalsContact O-N 3.11Å
515	F	88.6	Confident	83.5	Confident	12 Å²	12	41 Å²	41	5%	0.053	22%	0.224	C	C	.	.			trans	-79.1	138	168.8	-70.7	-77.2	0	0	0	108.9	N376 C378 F447 M462 I484 A486 L511 L512 L518	N376-F515 HydrophobicContact CB-CD1 3.87Å; N376-F515 HydrophobicContact CB-CE1 4.36Å; C378-F515 HydrophobicContact CB-CD1 3.91Å; C378-F515 HydrophobicContact CB-CD2 4.4Å; C378-F515 HydrophobicContact CB-CE1 4.04Å; C378-F515 HydrophobicContact CB-CG 4.1Å; C378-F515 HydrophobicContact CB-CZ 4.33Å; F447-F515 HydrophobicContact CE1-CE2 4.44Å; F447-F515 HydrophobicContact CE1-CZ 4.44Å; F447-F515 HydrophobicContact CE2-CZ 4.31Å; F447-F515 HydrophobicContact CZ-CE2 4.3Å; F447-F515 HydrophobicContact CZ-CZ 4.03Å; M462-F515 HydrophobicContact CE-CD1 3.73Å; M462-F515 HydrophobicContact CE-CD2 4.09Å; M462-F515 HydrophobicContact CE-CE1 3.68Å; M462-F515 HydrophobicContact CE-CE2 4.06Å; M462-F515 HydrophobicContact CE-CG 3.94Å; M462-F515 HydrophobicContact CE-CZ 3.86Å; M462-F515 HydrophobicContact SD-CZ 4.35Å; I484-F515 HydrophobicContact CG2-CE1 4.37Å; A486-F515 HydrophobicContact CB-CE1 4.11Å; A486-F515 HydrophobicContact CB-CZ 4.12Å; L511-F515 WeakPolarHBondContact O-CD2 3.33Å; L512-F515 PolarHBondContact O-N 3.34Å; F515-L518 HydrophobicContact CB-CD2 3.78Å; F515-L518 HydrophobicContact CB-CG 4.24Å; F515-L518 HydrophobicContact CD2-CD2 4.28Å; F515-L518 HydrophobicContact CG-CD2 4.18Å
516	D	89.9	Confident	84.1	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.043	24%	0.243	C	C	.	.	S	Bend	trans	-84.7	-35.8	-179.1	-67.8	-14.9	0	0	0	109.8	R372 I375 N376 A608 R611 M637	R372-D516 IonicContact NH2-OD1 3.53Å; R372-D516 PolarHBondContact NH2-OD1 3.47Å; R372-D516 IonicContact NH2-OD2 3.87Å; I375-D516 HydrophobicContact CG2-CB 4.23Å; N376-D516 PolarHBondContact O-N 3.35Å; D516-A608 HydrophobicContact CB-CB 3.74Å; D516-R611 IonicContact OD1-NH1 3.35Å; D516-R611 PolarHBondContact OD1-NH1 3.13Å; D516-R611 IonicContact OD2-CZ 2.7Å; D516-R611 IonicContact OD2-NH1 3.22Å; D516-R611 PolarHBondContact OD2-NH1 3.48Å; D516-M637 WeakPolarHBondContact O-CE 3.22Å
517	L	88.8	Confident	84.6	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.3	173	-66	174	0	0	0	111.4	A353 N376 I377 C378 L612 M637	A353-L517 HydrophobicContact CB-CD1 3.82Å; N376-L517 PolarHBondContact O-N 2.96Å; I377-L517 WeakPolarHBondContact CA-O 3.31Å; I377-L517 HydrophobicContact CD1-CD1 4.36Å; I377-L517 HydrophobicContact CG1-CB 4.33Å; I377-L517 HydrophobicContact CG2-CB 4.46Å; C378-L517 PolarHBondContact N-O 3.46Å; L517-L612 HydrophobicContact CD1-CD1 4.25Å; L517-L612 HydrophobicContact CD1-CD2 3.89Å; L517-L612 HydrophobicContact CD2-CD1 3.95Å; L517-L612 HydrophobicContact CG-CD1 4.17Å; L517-L612 HydrophobicContact CG-CD2 4.49Å; L517-M637 HydrophobicContact CD2-CE 4Å; L517-M637 HydrophobicContact CD2-SD 4.13Å
518	L	88.4	Confident	85.2	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.141	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	106.3	176.6	-67.3	167.8	0	0	0	108.1	C378 M380 L512 F515	C378-L518 HydrophobicContact CB-CD2 3.84Å; M380-L518 HydrophobicContact CE-CD2 4Å; L512-L518 HydrophobicContact CB-CD1 4.34Å; L512-L518 HydrophobicContact CD2-CD2 4.08Å; F515-L518 HydrophobicContact CB-CD2 3.78Å; F515-L518 HydrophobicContact CB-CG 4.24Å; F515-L518 HydrophobicContact CD2-CD2 4.28Å; F515-L518 HydrophobicContact CG-CD2 4.18Å
519	W	89.4	Confident	85.4	Confident	10 Å²	10	53.7 Å²	53.7	4%	0.038	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.9	178.3	-77.3	107.5	0	0	0	110.1	D349 V350 C378 L379 M380 M639	D349-W519 HydrophobicContact CB-CH2 3.76Å; D349-W519 HydrophobicContact CB-CZ2 4.17Å; V350-W519 HydrophobicContact CG2-CD2 4.14Å; V350-W519 HydrophobicContact CG2-CE3 4.31Å; V350-W519 HydrophobicContact CG2-CG 4.3Å; C378-W519 PolarHBondContact O-N 2.86Å; L379-W519 HydrophobicContact CD2-CB 3.9Å; L379-W519 HydrophobicContact CD2-CG 4.38Å; M380-W519 WeakPolarHBondContact CA-O 3.29Å; M380-W519 WeakPolarHBondContact CB-O 3.44Å; M380-W519 PolarHBondContact N-O 3.28Å; W519-M639 HydrophobicContact CH2-CB 3.76Å; W519-M639 HydrophobicContact CZ3-CB 4.21Å
520	L	86	Confident	85.9	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	105.5	172.5	-172.8	113.2	0	0	0	109.8	M380 Y495 Q522 L644	M380-L520 HydrophobicContact CB-CD1 4.08Å; Y495-L520 HydrophobicContact CD1-CD2 4.35Å; Y495-L520 HydrophobicContact CD2-CD1 3.74Å; Y495-L520 HydrophobicContact CD2-CD2 4.21Å; Y495-L520 HydrophobicContact CE1-CD2 4.32Å; Y495-L520 HydrophobicContact CE2-CD1 3.72Å; Y495-L520 HydrophobicContact CE2-CD2 4.18Å; Y495-L520 HydrophobicContact CG-CD2 4.28Å; L520-Q522 HydrophobicContact CD2-CG 3.49Å; L520-Q522 VanDerWaalsContact CD2-CG 3.49Å; L520-Q522 HydrophobicContact CG-CG 4.39Å; L520-L644 HydrophobicContact CB-CD2 3.46Å; L520-L644 VanDerWaalsContact CB-CD2 3.46Å; L520-L644 HydrophobicContact CB-CG 4.48Å; L520-L644 HydrophobicContact CD1-CD2 4.06Å; L520-L644 HydrophobicContact CD2-CD2 4.2Å; L520-L644 HydrophobicContact CG-CD2 4.11Å
521	I	86.9	Confident	86.4	Confident	9 Å²	9	56.8 Å²	56.8	5%	0.046	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	103.8	179.6	-53.4	170.3	0	0	0	108.2	H347 V350 M380 G381 D382 V385	H347-I521 WeakPolarHBondContact CE1-CG2 3.37Å; V350-I521 HydrophobicContact CG2-CD1 4.45Å; M380-I521 PolarHBondContact O-N 3.17Å; G381-I521 WeakPolarHBondContact CA-O 3.44Å; D382-I521 PolarHBondContact N-O 3.4Å; V385-I521 HydrophobicContact CB-CG2 3.77Å; V385-I521 HydrophobicContact CG1-CG2 3.94Å; V385-I521 HydrophobicContact CG2-CB 4.06Å; V385-I521 HydrophobicContact CG2-CD1 4.46Å; V385-I521 HydrophobicContact CG2-CG2 3.83Å
522	Q	84.3	Confident	86.6	Confident	51 Å²	51	63.5 Å²	63.5	24%	0.238	31%	0.305	C	S	.	.			trans	-91.9	133.5	174	-63.7	175.7	4.9	0	0	109.4	L520 R524	L520-Q522 HydrophobicContact CD2-CG 3.49Å; L520-Q522 VanDerWaalsContact CD2-CG 3.49Å; L520-Q522 HydrophobicContact CG-CG 4.39Å; Q522-R524 HydrophobicContact CB-CG 4.36Å; Q522-R524 PolarHBondContact O-N 3.36Å
523	D	83.6	Confident	86.8	Confident	92 Å²	92	66 Å²	66	49%	0.492	32%	0.318	S	S	.	.			trans	-84.9	95.6	169.6	-175.2	21	0	0	0	108.9	D382 V385	D382-D523 HydrophobicContact CB-CB 4.46Å; D382-D523 PolarHBondContact OD2-N 2.94Å; V385-D523 HydrophobicContact CG1-CB 4.06Å
524	R	82.4	Confident	87.1	Confident	123 Å²	123	67.3 Å²	67.3	46%	0.464	33%	0.33	S	S	.	.			trans	-93.4	121.2	176.3	-67.5	-174.4	-178.7	-172	-2.5	108.6	Q522 D526	Q522-R524 HydrophobicContact CB-CG 4.36Å; Q522-R524 PolarHBondContact O-N 3.36Å; R524-D526 PolarHBondContact O-N 2.98Å
525	P	80.9	Confident	87.2	Confident	122 Å²	122	71.1 Å²	71.1	79%	0.792	35%	0.349	S	S	*	.			trans	-68	107.6	179.4	27.9	-33.3	0	0	0	109.3
526	D	85.8	Confident	87.2	Confident	80 Å²	80	71.6 Å²	71.6	43%	0.428	35%	0.352	S	S	.	.			trans	-129.3	126.8	176.1	177.7	38.3	0	0	0	109.7	R524 D528 N529 D530	R524-D526 PolarHBondContact O-N 2.98Å; D526-D528 VanDerWaalsContact C-N 3.31Å; D526-D528 PolarHBondContact O-N 3.49Å; D526-N529 HydrophobicContact CB-CB 4.16Å; D526-N529 PolarHBondContact O-N 3.42Å; D526-N529 PolarHBondContact OD2-N 2.99Å; D526-D530 VanDerWaalsContact O-CB 3.23Å; D526-D530 WeakPolarHBondContact O-CB 3.47Å; D526-D530 PolarHBondContact O-N 2.91Å
527	R	88.8	Confident	87.2	Confident	220 Å²	220	74.9 Å²	74.9	83%	0.83	37%	0.368	S	S	*	.	H	α-helix	trans	-63.3	-37.7	-170.7	-76	-173.7	169.7	-176.5	-2.5	112.7	L531	R527-L531 WeakPolarHBondContact O-CB 3.47Å; R527-L531 PolarHBondContact O-N 2.68Å; R527-L531 VanDerWaalsContact O-N 3.14Å
528	D	88.9	Confident	87.3	Confident	110 Å²	110	79 Å²	79	59%	0.588	39%	0.394	S	S	*	.	H	α-helix	trans	-76.8	-42.4	-176.5	-68.9	-21.1	0	0	0	111.1	D526 L531 R532	D526-D528 VanDerWaalsContact C-N 3.31Å; D526-D528 PolarHBondContact O-N 3.49Å; D528-L531 PolarHBondContact O-N 2.95Å; D528-R532 WeakPolarHBondContact O-CG 3.42Å; D528-R532 PolarHBondContact O-N 2.97Å; D528-R532 VanDerWaalsContact O-N 3.14Å
529	N	85.1	Confident	87.3	Confident	78 Å²	78	81.2 Å²	81.2	42%	0.417	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-43.1	175.4	-165.3	25.4	0	0	0	111.9	D526 L531 R532 L533	D526-N529 HydrophobicContact CB-CB 4.16Å; D526-N529 PolarHBondContact O-N 3.42Å; D526-N529 PolarHBondContact OD2-N 2.99Å; N529-L531 VanDerWaalsContact C-N 3.31Å; N529-L531 PolarHBondContact O-N 3.48Å; N529-R532 PolarHBondContact O-N 2.96Å; N529-L533 WeakPolarHBondContact O-CB 3.47Å; N529-L533 PolarHBondContact O-N 3.4Å
530	D	88.4	Confident	87.3	Confident	67 Å²	67	82 Å²	82	36%	0.358	41%	0.407	S	S	.	.	H	α-helix	trans	-61.4	-39.9	177.6	-71	-18.2	0	0	0	111.5	D526 L533 A534	D526-D530 VanDerWaalsContact O-CB 3.23Å; D526-D530 WeakPolarHBondContact O-CB 3.47Å; D526-D530 PolarHBondContact O-N 2.91Å; D530-L533 PolarHBondContact O-N 3.21Å; D530-A534 VanDerWaalsContact O-CB 3.22Å; D530-A534 WeakPolarHBondContact O-CB 3.34Å; D530-A534 PolarHBondContact O-N 2.94Å
531	L	90.9	Very high	87.4	Confident	98 Å²	98	89 Å²	89	51%	0.513	44%	0.439	S	S	.	.	H	α-helix	trans	-64.8	-44.3	176.9	-177.5	138.6	0	0	0	111.7	R527 D528 N529 A534 Q535	R527-L531 WeakPolarHBondContact O-CB 3.47Å; R527-L531 PolarHBondContact O-N 2.68Å; R527-L531 VanDerWaalsContact O-N 3.14Å; D528-L531 PolarHBondContact O-N 2.95Å; N529-L531 VanDerWaalsContact C-N 3.31Å; N529-L531 PolarHBondContact O-N 3.48Å; L531-A534 PolarHBondContact O-N 3.22Å; L531-Q535 WeakPolarHBondContact O-CB 3.44Å; L531-Q535 VanDerWaalsContact O-CG 3.29Å; L531-Q535 WeakPolarHBondContact O-CG 3.4Å; L531-Q535 PolarHBondContact O-N 3.38Å
532	R	87.7	Confident	87.6	Confident	142 Å²	142	95.4 Å²	95.4	54%	0.536	47%	0.469	S	S	.	.	H	α-helix	trans	-65	-43.5	176.6	-69.5	179.3	-171.6	169.9	4.9	111.7	Y345 D528 N529 Q535 H536	Y345-R532 HydrophobicContact CE1-CB 3.94Å; Y345-R532 WeakPolarHBondContact OH-CD 3.36Å; D528-R532 WeakPolarHBondContact O-CG 3.42Å; D528-R532 PolarHBondContact O-N 2.97Å; D528-R532 VanDerWaalsContact O-N 3.14Å; N529-R532 PolarHBondContact O-N 2.96Å; R532-Q535 PolarHBondContact O-N 3.24Å; R532-H536 WeakPolarHBondContact O-CB 3.22Å; R532-H536 PolarHBondContact O-N 3.16Å
533	L	87.6	Confident	87.8	Confident	65 Å²	65	97.5 Å²	97.5	34%	0.34	48%	0.478	S	S	.	.	H	α-helix	trans	-60.7	-46.5	176.4	-179.4	64.7	0	0	0	111.2	Y345 N529 D530 H536 I537	Y345-L533 HydrophobicContact CD1-CD1 4.49Å; N529-L533 WeakPolarHBondContact O-CB 3.47Å; N529-L533 PolarHBondContact O-N 3.4Å; D530-L533 PolarHBondContact O-N 3.21Å; L533-H536 WeakPolarHBondContact O-CB 3.46Å; L533-H536 PolarHBondContact O-N 2.89Å; L533-I537 HydrophobicContact CD1-CD1 3.95Å; L533-I537 HydrophobicContact CD1-CG1 4.35Å; L533-I537 HydrophobicContact CG-CD1 3.85Å; L533-I537 VanDerWaalsContact O-CG1 3.31Å; L533-I537 WeakPolarHBondContact O-CG1 3.36Å; L533-I537 PolarHBondContact O-N 3.42Å
534	A	89.8	Confident	87.8	Confident	49 Å²	49	98.3 Å²	98.3	41%	0.405	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-42	179.1	0	0	0	0	0	112.3	D530 L531 H536 I537 T538	D530-A534 VanDerWaalsContact O-CB 3.22Å; D530-A534 WeakPolarHBondContact O-CB 3.34Å; D530-A534 PolarHBondContact O-N 2.94Å; L531-A534 PolarHBondContact O-N 3.22Å; A534-H536 VanDerWaalsContact C-N 3.34Å; A534-I537 PolarHBondContact O-N 3.29Å; A534-T538 WeakPolarHBondContact O-CB 3.33Å; A534-T538 PolarHBondContact O-N 2.85Å; A534-T538 PolarHBondContact O-OG1 2.78Å
535	Q	89.9	Confident	87.7	Confident	124 Å²	124	101.7 Å²	101.7	58%	0.579	50%	0.504	S	S	*	.	H	α-helix	trans	-61	-44.2	174.4	-75.8	177.9	-6.9	0	0	111.4	L531 R532 T538 Y539	L531-Q535 WeakPolarHBondContact O-CB 3.44Å; L531-Q535 VanDerWaalsContact O-CG 3.29Å; L531-Q535 WeakPolarHBondContact O-CG 3.4Å; L531-Q535 PolarHBondContact O-N 3.38Å; R532-Q535 PolarHBondContact O-N 3.24Å; Q535-T538 PolarHBondContact O-N 3.42Å; Q535-Y539 WeakPolarHBondContact O-CB 3.48Å; Q535-Y539 PolarHBondContact O-N 2.91Å
536	H	87.8	Confident	87.6	Confident	21 Å²	21	97.9 Å²	97.9	10%	0.097	48%	0.475	C	S	.	.	H	α-helix	trans	-61.6	-50.2	178	-171.4	-84.5	0	0	0	112.1	P342 E343 Y345 R532 L533 A534 T538 Y539 V540 P547	P342-H536 PolarHBondContact O-CE1 2.89Å; E343-H536 PolarHBondContact O-CE1 3.31Å; E343-H536 PolarHBondContact O-ND1 3.11Å; Y345-H536 AromaticContact CD2-CD2 3.98Å; Y345-H536 HydrophobicContact CG-CB 4.38Å; R532-H536 WeakPolarHBondContact O-CB 3.22Å; R532-H536 PolarHBondContact O-N 3.16Å; L533-H536 WeakPolarHBondContact O-CB 3.46Å; L533-H536 PolarHBondContact O-N 2.89Å; A534-H536 VanDerWaalsContact C-N 3.34Å; H536-T538 VanDerWaalsContact C-N 3.35Å; H536-T538 PolarHBondContact O-N 2.69Å; H536-Y539 PolarHBondContact O-N 3.05Å; H536-V540 WeakPolarHBondContact O-CG2 3.42Å; H536-V540 PolarHBondContact O-N 3.12Å; H536-P547 WeakPolarHBondContact CD2-CG 3.42Å; H536-P547 WeakPolarHBondContact NE2-CD 3.17Å
537	I	89	Confident	87.2	Confident	77 Å²	77	95.7 Å²	95.7	40%	0.395	47%	0.466	S	S	.	.	H	α-helix	trans	-60.9	-45.3	179.5	-68	168.9	0	0	0	110.7	L533 A534 Y539 V540 H541	L533-I537 HydrophobicContact CD1-CD1 3.95Å; L533-I537 HydrophobicContact CD1-CG1 4.35Å; L533-I537 HydrophobicContact CG-CD1 3.85Å; L533-I537 VanDerWaalsContact O-CG1 3.31Å; L533-I537 WeakPolarHBondContact O-CG1 3.36Å; L533-I537 PolarHBondContact O-N 3.42Å; A534-I537 PolarHBondContact O-N 3.29Å; I537-Y539 VanDerWaalsContact C-N 3.29Å; I537-Y539 PolarHBondContact O-N 3.07Å; I537-V540 PolarHBondContact O-N 2.77Å; I537-H541 PolarHBondContact O-CD2 2.77Å; I537-H541 VanDerWaalsContact O-CD2 3.24Å; I537-H541 PolarHBondContact O-N 2.72Å
538	T	90.8	Very high	86.5	Confident	89 Å²	89	90.8 Å²	90.8	55%	0.546	46%	0.462	S	S	.	.	H	α-helix	trans	-59.7	-42.8	178.6	-55.4	0	0	0	0	111.1	A534 Q535 H536 H541 Q542	A534-T538 WeakPolarHBondContact O-CB 3.33Å; A534-T538 PolarHBondContact O-N 2.85Å; A534-T538 PolarHBondContact O-OG1 2.78Å; Q535-T538 PolarHBondContact O-N 3.42Å; H536-T538 VanDerWaalsContact C-N 3.35Å; H536-T538 PolarHBondContact O-N 2.69Å; T538-H541 PolarHBondContact O-N 2.78Å; T538-Q542 WeakPolarHBondContact O-CB 3.34Å; T538-Q542 PolarHBondContact O-N 3.23Å
539	Y	90	Very high	85.6	Confident	73 Å²	73	88.9 Å²	88.9	29%	0.286	46%	0.457	S	S	.	.	H	α-helix	trans	-63.6	-46.6	177.9	-173.4	-81	0	0	0	112.2	Q535 H536 I537 H541 Q542 H543 R545 Q546 P547	Q535-Y539 WeakPolarHBondContact O-CB 3.48Å; Q535-Y539 PolarHBondContact O-N 2.91Å; H536-Y539 PolarHBondContact O-N 3.05Å; I537-Y539 VanDerWaalsContact C-N 3.29Å; I537-Y539 PolarHBondContact O-N 3.07Å; Y539-H541 VanDerWaalsContact C-N 3.29Å; Y539-H541 PolarHBondContact O-N 2.96Å; Y539-Q542 PolarHBondContact O-N 2.9Å; Y539-Q542 VanDerWaalsContact O-N 3.13Å; Y539-H543 AromaticContact CD2-CE1 3.95Å; Y539-H543 AromaticContact CD2-ND1 3.66Å; Y539-H543 HydrophobicContact CE1-CB 4.03Å; Y539-H543 AromaticContact CE1-ND1 3.9Å; Y539-H543 AromaticContact CE2-CE1 3.68Å; Y539-H543 AromaticContact CE2-ND1 3.53Å; Y539-H543 AromaticContact CG-ND1 3.95Å; Y539-H543 AromaticContact CZ-CG 3.93Å; Y539-H543 AromaticContact CZ-ND1 3.66Å; Y539-H543 PolarHBondContact O-N 2.81Å; Y539-H543 PolarHBondContact O-ND1 2.59Å; Y539-R545 VanDerWaalsContact CD1-O 3.25Å; Y539-R545 WeakPolarHBondContact CD1-O 3.4Å; Y539-R545 VanDerWaalsContact CE1-O 3.28Å; Y539-R545 WeakPolarHBondContact CE1-O 3.36Å; Y539-Q546 VanDerWaalsContact CE1-C 3.42Å; Y539-Q546 VanDerWaalsContact CE1-O 3.31Å; Y539-Q546 WeakPolarHBondContact CE1-O 3.47Å; Y539-P547 HydrophobicContact CD1-CB 3.84Å; Y539-P547 HydrophobicContact CD1-CG 4.28Å; Y539-P547 VanDerWaalsContact CD1-N 3.29Å; Y539-P547 HydrophobicContact CD2-CB 4.42Å; Y539-P547 HydrophobicContact CE1-CB 4.06Å; Y539-P547 VanDerWaalsContact CE1-N 3.32Å; Y539-P547 HydrophobicContact CG-CB 4.03Å
540	V	88.5	Confident	84.7	Confident	27 Å²	27	93.9 Å²	93.9	16%	0.164	48%	0.479	C	S	.	.	H	α-helix	trans	-58.3	-43.1	178.1	171	0	0	0	0	110.7	H536 I537 S544	H536-V540 WeakPolarHBondContact O-CG2 3.42Å; H536-V540 PolarHBondContact O-N 3.12Å; I537-V540 PolarHBondContact O-N 2.77Å; V540-S544 WeakPolarHBondContact O-CA 3.21Å; V540-S544 PolarHBondContact O-N 2.94Å
541	H	87.4	Confident	83.9	Confident	153 Å²	153	94.4 Å²	94.4	71%	0.708	48%	0.478	S	S	*	.	H	α-helix	trans	-69.9	-32	177	-80.2	-72.5	0	0	0	113.6	I537 T538 Y539	I537-H541 PolarHBondContact O-CD2 2.77Å; I537-H541 VanDerWaalsContact O-CD2 3.24Å; I537-H541 PolarHBondContact O-N 2.72Å; T538-H541 PolarHBondContact O-N 2.78Å; Y539-H541 VanDerWaalsContact C-N 3.29Å; Y539-H541 PolarHBondContact O-N 2.96Å
542	Q	91.9	Very high	83.2	Confident	143 Å²	143	98.3 Å²	98.3	67%	0.668	49%	0.493	S	S	*	.	H	α-helix	trans	-75.2	-40.8	-179.9	-174.2	178	11.4	0	0	112.8	T538 Y539	T538-Q542 WeakPolarHBondContact O-CB 3.34Å; T538-Q542 PolarHBondContact O-N 3.23Å; Y539-Q542 PolarHBondContact O-N 2.9Å; Y539-Q542 VanDerWaalsContact O-N 3.13Å
543	H	87.8	Confident	82.7	Confident	95 Å²	95	94 Å²	94	44%	0.44	48%	0.483	S	S	.	.	H	α-helix	trans	-109.3	-7.1	-172.1	-61.4	89.3	0	0	0	113.6	Y539 R545	Y539-H543 AromaticContact CD2-CE1 3.95Å; Y539-H543 AromaticContact CD2-ND1 3.66Å; Y539-H543 HydrophobicContact CE1-CB 4.03Å; Y539-H543 AromaticContact CE1-ND1 3.9Å; Y539-H543 AromaticContact CE2-CE1 3.68Å; Y539-H543 AromaticContact CE2-ND1 3.53Å; Y539-H543 AromaticContact CG-ND1 3.95Å; Y539-H543 AromaticContact CZ-CG 3.93Å; Y539-H543 AromaticContact CZ-ND1 3.66Å; Y539-H543 PolarHBondContact O-N 2.81Å; Y539-H543 PolarHBondContact O-ND1 2.59Å; H543-R545 PolarHBondContact O-N 2.85Å; H543-R545 VanDerWaalsContact O-N 3.07Å
544	S	84.5	Confident	82.3	Confident	108 Å²	108	93 Å²	93	76%	0.755	48%	0.479	S	S	*	.	S	Bend	trans	52.3	25.8	-170.7	-56.4	0	0	0	0	113.3	V540	V540-S544 WeakPolarHBondContact O-CA 3.21Å; V540-S544 PolarHBondContact O-N 2.94Å
545	R	81.1	Confident	82.1	Confident	194 Å²	194	95.4 Å²	95.4	73%	0.732	49%	0.485	S	S	*	.	S	Bend	trans	-143.4	151.9	177.6	-89.8	-179	171	173.9	-4.8	109	Y539 H543	Y539-R545 VanDerWaalsContact CD1-O 3.25Å; Y539-R545 WeakPolarHBondContact CD1-O 3.4Å; Y539-R545 VanDerWaalsContact CE1-O 3.28Å; Y539-R545 WeakPolarHBondContact CE1-O 3.36Å; H543-R545 PolarHBondContact O-N 2.85Å; H543-R545 VanDerWaalsContact O-N 3.07Å
546	Q	77.8	Confident	81.7	Confident	42 Å²	42	92.3 Å²	92.3	20%	0.196	47%	0.471	C	S	.	.			trans	-62.4	151.2	171.9	71.9	-159.9	64.8	0	0	111.2	P342 Y539	P342-Q546 VanDerWaalsContact CB-CD 3.47Å; Y539-Q546 VanDerWaalsContact CE1-C 3.42Å; Y539-Q546 VanDerWaalsContact CE1-O 3.31Å; Y539-Q546 WeakPolarHBondContact CE1-O 3.47Å
547	P	77.6	Confident	81.4	Confident	35 Å²	35	96 Å²	96	23%	0.227	49%	0.486	C	S	.	.			trans	-58.3	147.8	169.3	23.5	-30.5	0	0	0	110.6	H536 Y539 S549	H536-P547 WeakPolarHBondContact CD2-CG 3.42Å; H536-P547 WeakPolarHBondContact NE2-CD 3.17Å; Y539-P547 HydrophobicContact CD1-CB 3.84Å; Y539-P547 HydrophobicContact CD1-CG 4.28Å; Y539-P547 VanDerWaalsContact CD1-N 3.29Å; Y539-P547 HydrophobicContact CD2-CB 4.42Å; Y539-P547 HydrophobicContact CE1-CB 4.06Å; Y539-P547 VanDerWaalsContact CE1-N 3.32Å; Y539-P547 HydrophobicContact CG-CB 4.03Å; P547-S549 PolarHBondContact O-N 3.46Å
548	P	74.4	Confident	81.1	Confident	117 Å²	117	93.6 Å²	93.6	76%	0.76	47%	0.474	S	S	*	.			trans	-61.1	105.4	179	25.3	-33	0	0	0	109.6
549	S	68.8	Low	80.7	Confident	69 Å²	69	89.4 Å²	89.4	48%	0.483	45%	0.448	S	S	.	.			trans	-79	170.2	171.1	39.1	0	0	0	0	110.7	P547 F551	P547-S549 PolarHBondContact O-N 3.46Å; S549-F551 PolarHBondContact O-N 3.28Å; S549-F551 VanDerWaalsContact O-N 3.12Å; S549-F551 PolarHBondContact OG-O 3.43Å
550	Q	67.9	Low	80.4	Confident	184 Å²	184	88 Å²	88	86%	0.86	44%	0.443	S	S	*	.	S	Bend	trans	-58.3	-23.3	174.9	-64.9	177.8	6.6	0	0	112.7
551	F	70.1	Confident	80.1	Confident	78 Å²	78	91.6 Å²	91.6	34%	0.342	45%	0.453	S	S	.	.	S	Bend	trans	-123.2	144.1	178.7	-54.3	-68.3	0	0	0	110.9	K335 S549	K335-F551 HydrophobicContact CD-CD1 4.26Å; K335-F551 HydrophobicContact CG-CD1 4Å; K335-F551 HydrophobicContact CG-CD2 4.41Å; K335-F551 HydrophobicContact CG-CE1 4.32Å; K335-F551 HydrophobicContact CG-CG 4.04Å; S549-F551 PolarHBondContact O-N 3.28Å; S549-F551 VanDerWaalsContact O-N 3.12Å; S549-F551 PolarHBondContact OG-O 3.43Å
552	E	76.9	Confident	79.9	Confident	180 Å²	180	84.7 Å²	84.7	84%	0.841	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-80.1	127.5	170.4	-168.6	160.7	-160.7	0	0	109.1
553	P	76.2	Confident	79.6	Confident	50 Å²	50	78.2 Å²	78.2	33%	0.325	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-66.6	139.7	-177.8	30.2	-38.3	0	0	0	110.8
554	L	80.7	Confident	79.5	Confident	46 Å²	46	76.1 Å²	76.1	24%	0.241	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-71.4	147.4	176	-63.8	175	0	0	0	111.3	F332 L336 S339 L558 M559	F332-L554 HydrophobicContact CE2-CD1 4.28Å; L336-L554 HydrophobicContact CD2-CD1 3.76Å; S339-L554 PolarHBondContact OG-N 3.35Å; S339-L554 VanDerWaalsContact OG-N 3.16Å; L554-L558 HydrophobicContact CD1-CD2 4.36Å; L554-M559 HydrophobicContact CB-CG 3.95Å; L554-M559 HydrophobicContact CB-SD 4.44Å
555	D	84	Confident	79.4	Confident	99 Å²	99	74.6 Å²	74.6	53%	0.529	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-66	143.3	175.3	-175.1	30.3	0	0	0	111.2	K557 L558 M559	D555-K557 PolarHBondContact O-N 2.69Å; D555-K557 WeakPolarHBondContact OD2-CB 3.28Å; D555-L558 PolarHBondContact O-N 3.15Å; D555-L558 VanDerWaalsContact O-N 3.16Å; D555-M559 WeakPolarHBondContact O-CG 3.49Å; D555-M559 PolarHBondContact O-N 2.89Å
556	M	82.1	Confident	79.6	Confident	59 Å²	59	65.3 Å²	65.3	29%	0.291	34%	0.337	S	S	.	.	H	α-helix	trans	-58.1	-34.7	-179.9	-73.1	-175.6	157.6	0	0	112.2	Y393 R560	Y393-M556 HydrophobicContact CD2-CE 3.81Å; Y393-M556 HydrophobicContact CE1-CE 4.09Å; Y393-M556 HydrophobicContact CE2-CE 3.08Å; Y393-M556 WeakPolarHBondContact OH-CE 3.41Å; M556-R560 WeakPolarHBondContact O-CB 3.46Å; M556-R560 PolarHBondContact O-N 3.01Å
557	K	81.9	Confident	79.9	Confident	98 Å²	98	66.6 Å²	66.6	43%	0.426	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-46.4	178.6	-64	-176	179.6	-170.9	0	111.3	D555 R560 R561	D555-K557 PolarHBondContact O-N 2.69Å; D555-K557 WeakPolarHBondContact OD2-CB 3.28Å; K557-R560 PolarHBondContact O-N 2.85Å; K557-R561 WeakPolarHBondContact O-CG 3.35Å; K557-R561 PolarHBondContact O-N 3.17Å
558	L	82	Confident	80.2	Confident	27 Å²	27	72.4 Å²	72.4	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-44.7	177.8	-171.9	152.2	0	0	0	110.4	E323 L554 D555 R560 R561 Y562	E323-L558 HydrophobicContact CG-CD1 4.38Å; L554-L558 HydrophobicContact CD1-CD2 4.36Å; D555-L558 PolarHBondContact O-N 3.15Å; D555-L558 VanDerWaalsContact O-N 3.16Å; L558-R560 VanDerWaalsContact C-N 3.34Å; L558-R560 PolarHBondContact O-N 2.81Å; L558-R561 PolarHBondContact O-N 3.47Å; L558-Y562 WeakPolarHBondContact O-CB 3.46Å; L558-Y562 PolarHBondContact O-N 2.88Å
559	M	83.3	Confident	80.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-58.1	-44.5	175.3	-70	-175.8	75.9	0	0	112.2	L336 I340 L397 L554 D555 Y562 I563	L336-M559 HydrophobicContact CD2-CE 4.07Å; L336-M559 HydrophobicContact CD2-CG 4.26Å; I340-M559 HydrophobicContact CG1-CE 3.77Å; L397-M559 HydrophobicContact CD1-CB 4.06Å; L397-M559 HydrophobicContact CD2-CE 4.28Å; L554-M559 HydrophobicContact CB-CG 3.95Å; L554-M559 HydrophobicContact CB-SD 4.44Å; D555-M559 WeakPolarHBondContact O-CG 3.49Å; D555-M559 PolarHBondContact O-N 2.89Å; M559-Y562 PolarHBondContact O-N 2.59Å; M559-I563 WeakPolarHBondContact O-CB 3.49Å; M559-I563 WeakPolarHBondContact O-CD1 3.46Å; M559-I563 WeakPolarHBondContact O-CG1 3.43Å; M559-I563 PolarHBondContact O-N 3.27Å
560	R	84.3	Confident	81.7	Confident	45 Å²	45	73.7 Å²	73.7	17%	0.17	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-44.2	179.4	-170.8	-174.9	-69.2	152.9	0.2	111.7	S309 R396 L397 M556 K557 L558 I563 A564	S309-R560 PolarHBondContact OG-NH1 3.34Å; R396-R560 PolarHBondContact O-NH2 3.07Å; L397-R560 PolarHBondContact O-NE 3.01Å; M556-R560 WeakPolarHBondContact O-CB 3.46Å; M556-R560 PolarHBondContact O-N 3.01Å; K557-R560 PolarHBondContact O-N 2.85Å; L558-R560 VanDerWaalsContact C-N 3.34Å; L558-R560 PolarHBondContact O-N 2.81Å; R560-I563 PolarHBondContact O-N 3.21Å; R560-A564 WeakPolarHBondContact O-CB 3.44Å; R560-A564 PolarHBondContact O-N 2.92Å
561	R	81.6	Confident	82.8	Confident	101 Å²	101	65 Å²	65	38%	0.381	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-44.6	175.6	-71.3	176.9	179.9	173.4	-2	111.2	S314 L319 K557 L558 A564 M565	S314-R561 PolarHBondContact OG-NH2 3.25Å; L319-R561 HydrophobicContact CD2-CB 4.2Å; K557-R561 WeakPolarHBondContact O-CG 3.35Å; K557-R561 PolarHBondContact O-N 3.17Å; L558-R561 PolarHBondContact O-N 3.47Å; R561-A564 WeakPolarHBondContact O-CB 3.28Å; R561-A564 PolarHBondContact O-N 3.19Å; R561-M565 PolarHBondContact O-N 3.28Å
562	Y	83.3	Confident	83.6	Confident	8 Å²	8	65.4 Å²	65.4	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-46.8	178	-174.4	-101.1	0	0	0	112.5	L319 I327 F332 L336 L558 M559 A564 M565 C566 L619	L319-Y562 HydrophobicContact CD1-CD2 4.38Å; I327-Y562 HydrophobicContact CD1-CD2 3.63Å; I327-Y562 HydrophobicContact CD1-CE2 3.93Å; I327-Y562 HydrophobicContact CG1-CD2 4.36Å; I327-Y562 HydrophobicContact CG1-CE2 4.4Å; I327-Y562 HydrophobicContact CG2-CD2 4.46Å; I327-Y562 HydrophobicContact CG2-CE2 3.7Å; F332-Y562 HydrophobicContact CE1-CD1 4.08Å; F332-Y562 AromaticContact CE1-CE1 3.26Å; F332-Y562 HydrophobicContact CE1-CE1 3.26Å; F332-Y562 HydrophobicContact CE1-CE2 4.14Å; F332-Y562 AromaticContact CE1-CZ 3.29Å; F332-Y562 VanDerWaalsContact CE1-OH 3.3Å; F332-Y562 WeakPolarHBondContact CE1-OH 3.47Å; F332-Y562 AromaticContact CZ-CD1 3.82Å; F332-Y562 HydrophobicContact CZ-CD1 3.82Å; F332-Y562 HydrophobicContact CZ-CD2 4.31Å; F332-Y562 AromaticContact CZ-CE1 3.46Å; F332-Y562 HydrophobicContact CZ-CE1 3.46Å; F332-Y562 VanDerWaalsContact CZ-CE1 3.46Å; F332-Y562 AromaticContact CZ-CE2 3.98Å; F332-Y562 HydrophobicContact CZ-CE2 3.98Å; F332-Y562 HydrophobicContact CZ-CG 4.23Å; F332-Y562 AromaticContact CZ-CZ 3.53Å; L336-Y562 HydrophobicContact CD1-CD1 4.09Å; L336-Y562 HydrophobicContact CD1-CE1 3.9Å; L558-Y562 WeakPolarHBondContact O-CB 3.46Å; L558-Y562 PolarHBondContact O-N 2.88Å; M559-Y562 PolarHBondContact O-N 2.59Å; Y562-A564 VanDerWaalsContact C-N 3.3Å; Y562-A564 PolarHBondContact O-N 2.93Å; Y562-M565 WeakPolarHBondContact O-CB 2.95Å; Y562-M565 PolarHBondContact O-N 3.26Å; Y562-C566 WeakPolarHBondContact CE1-SG 3.32Å; Y562-C566 PolarHBondContact O-N 3.39Å; Y562-C566 PolarHBondContact O-SG 3.41Å; Y562-L619 HydrophobicContact CE1-CD2 4.43Å; Y562-L619 PolarHBondContact OH-O 3.45Å
563	I	86	Confident	84.1	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-39.1	177.2	-67.6	162.3	0	0	0	110.9	L358 L397 M559 R560 C566 R567	L358-I563 HydrophobicContact CB-CD1 4.19Å; L358-I563 HydrophobicContact CB-CG2 4.32Å; L358-I563 HydrophobicContact CD1-CD1 4.11Å; L358-I563 WeakPolarHBondContact O-CG2 2.94Å; L397-I563 HydrophobicContact CD2-CD1 4.48Å; M559-I563 WeakPolarHBondContact O-CB 3.49Å; M559-I563 WeakPolarHBondContact O-CD1 3.46Å; M559-I563 WeakPolarHBondContact O-CG1 3.43Å; M559-I563 PolarHBondContact O-N 3.27Å; R560-I563 PolarHBondContact O-N 3.21Å; I563-C566 PolarHBondContact O-N 3.34Å; I563-R567 WeakPolarHBondContact O-CG 3.35Å; I563-R567 PolarHBondContact O-N 3.2Å
564	A	84.1	Confident	84.8	Confident	51 Å²	51	58.6 Å²	58.6	42%	0.421	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-44	175.6	0	0	0	0	0	111.6	R560 R561 Y562 C566 R567	R560-A564 WeakPolarHBondContact O-CB 3.44Å; R560-A564 PolarHBondContact O-N 2.92Å; R561-A564 WeakPolarHBondContact O-CB 3.28Å; R561-A564 PolarHBondContact O-N 3.19Å; Y562-A564 VanDerWaalsContact C-N 3.3Å; Y562-A564 PolarHBondContact O-N 2.93Å; A564-C566 PolarHBondContact O-N 3.47Å; A564-R567 WeakPolarHBondContact O-CB 3.48Å; A564-R567 PolarHBondContact O-N 3.17Å
565	M	83.4	Confident	85.2	Confident	75 Å²	75	65 Å²	65	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-41.9	175.7	-155.3	-165.5	170.1	0	0	111.8	L319 R561 Y562 R567 E568 M621	L319-M565 HydrophobicContact CD1-SD 4.04Å; L319-M565 HydrophobicContact CG-SD 4.43Å; R561-M565 PolarHBondContact O-N 3.28Å; Y562-M565 WeakPolarHBondContact O-CB 2.95Å; Y562-M565 PolarHBondContact O-N 3.26Å; M565-R567 VanDerWaalsContact C-N 3.29Å; M565-R567 PolarHBondContact O-N 3.15Å; M565-E568 PolarHBondContact O-N 3.42Å; M565-M621 HydrophobicContact CB-CE 3.73Å; M565-M621 HydrophobicContact CE-CE 3.79Å; M565-M621 HydrophobicContact CG-CE 3.38Å; M565-M621 HydrophobicContact SD-CE 3.35Å; M565-M621 WeakPolarHBondContact SD-CE 3.4Å
566	C	84.4	Confident	85.4	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-33.7	177.5	-65.6	0	0	0	0	112.9	V359 Y562 I563 A564 E568 K569 M621	V359-C566 HydrophobicContact CG1-CB 4.14Å; Y562-C566 WeakPolarHBondContact CE1-SG 3.32Å; Y562-C566 PolarHBondContact O-N 3.39Å; Y562-C566 PolarHBondContact O-SG 3.41Å; I563-C566 PolarHBondContact O-N 3.34Å; A564-C566 PolarHBondContact O-N 3.47Å; C566-E568 VanDerWaalsContact C-N 3.29Å; C566-E568 PolarHBondContact O-N 2.83Å; C566-K569 PolarHBondContact O-N 3.07Å; C566-M621 HydrophobicContact CB-SD 4.37Å
567	R	84.6	Confident	85.8	Confident	69 Å²	69	63 Å²	63	26%	0.26	32%	0.317	S	S	.	.	H	α-helix	trans	-67.6	-26.3	179.9	-78.9	172.1	173.2	-148.1	-0.6	113.1	L358 V359 Q439 I563 A564 M565 K569	L358-R567 PolarHBondContact O-NE 3.31Å; L358-R567 PolarHBondContact O-NH2 3.19Å; V359-R567 VanDerWaalsContact O-CG 3.3Å; V359-R567 WeakPolarHBondContact O-CG 3.19Å; Q439-R567 PolarHBondContact O-NH1 2.85Å; I563-R567 WeakPolarHBondContact O-CG 3.35Å; I563-R567 PolarHBondContact O-N 3.2Å; A564-R567 WeakPolarHBondContact O-CB 3.48Å; A564-R567 PolarHBondContact O-N 3.17Å; M565-R567 VanDerWaalsContact C-N 3.29Å; M565-R567 PolarHBondContact O-N 3.15Å; R567-K569 VanDerWaalsContact C-N 3.3Å
568	E	84.8	Confident	86.1	Confident	156 Å²	156	60.6 Å²	60.6	73%	0.729	32%	0.315	S	S	*	.	H	α-helix	trans	-70.9	-27.2	179.1	-66.4	-177.7	171.6	0	0	112.5	M565 C566	M565-E568 PolarHBondContact O-N 3.42Å; C566-E568 VanDerWaalsContact C-N 3.29Å; C566-E568 PolarHBondContact O-N 2.83Å
569	K	85.3	Confident	86.5	Confident	74 Å²	74	65.4 Å²	65.4	32%	0.322	34%	0.341	S	S	.	.			trans	-72.4	142.8	179.5	-70.6	-63.8	-163.1	160.2	0	112.2	C566 R567 R618 M621 D623	C566-K569 PolarHBondContact O-N 3.07Å; R567-K569 VanDerWaalsContact C-N 3.3Å; K569-R618 HydrophobicContact CB-CG 4.48Å; K569-R618 PolarHBondContact O-NE 2.97Å; K569-R618 PolarHBondContact O-NH2 3.2Å; K569-M621 HydrophobicContact CG-SD 3.79Å; K569-D623 IonicContact NZ-OD1 3.23Å; K569-D623 PolarHBondContact NZ-OD1 2.91Å
570	Q	88.1	Confident	86.9	Confident	139 Å²	139	69.1 Å²	69.1	65%	0.65	36%	0.355	S	S	*	.			trans	-128.7	81.4	-179.5	-65.2	-177.9	7.2	0	0	110	V362	V362-Q570 HydrophobicContact CG1-CB 4.35Å; V362-Q570 HydrophobicContact CG1-CG 4.45Å
571	P	90.8	Very high	87.1	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.013	35%	0.349	C	S	.	.			trans	-67.3	149.8	179.9	25.5	-34.1	0	0	0	112.5	V362 T614 A617 R618 D623 V625	V362-P571 HydrophobicContact CG2-CG 3.97Å; P571-T614 WeakPolarHBondContact CG-O 3.31Å; P571-A617 HydrophobicContact CB-CB 3.86Å; P571-A617 HydrophobicContact CG-CB 3.93Å; P571-R618 HydrophobicContact CG-CG 3.85Å; P571-D623 CarbonylContact C-O 3.53Å; P571-D623 VanDerWaalsContact CA-O 3.26Å; P571-D623 WeakPolarHBondContact CA-O 3.46Å; P571-V625 HydrophobicContact CB-CG2 4.4Å
572	T	88.4	Confident	87.5	Confident	87 Å²	87	65.9 Å²	65.9	53%	0.534	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-106.7	145	176.2	58	0	0	0	0	111	D623 V625	T572-D623 PolarHBondContact N-O 3.13Å; T572-D623 PolarHBondContact OG1-O 3.43Å; T572-V625 PolarHBondContact O-N 3.39Å; T572-V625 VanDerWaalsContact O-N 3.11Å
573	V	87.1	Confident	87.9	Confident	52 Å²	52	68.4 Å²	68.4	32%	0.315	37%	0.374	S	S	.	.			trans	-89.5	120.6	176.7	-177.7	0	0	0	0	108.3	I581 L610 T614 V625	V573-I581 HydrophobicContact CG1-CD1 4.32Å; V573-L610 HydrophobicContact CG1-CD2 4.32Å; V573-L610 HydrophobicContact CG2-CD2 4.33Å; V573-T614 HydrophobicContact CG2-CG2 3.89Å; V573-V625 HydrophobicContact CG2-CG2 4.12Å
574	P	90.9	Very high	87.9	Confident	34 Å²	34	68.9 Å²	68.9	22%	0.221	38%	0.379	C	S	.	.			trans	-73.2	146.4	178.9	29.8	-34.6	0	0	0	111.8	S576 L577 V624 V625	P574-S576 PolarHBondContact O-N 3.34Å; P574-L577 HydrophobicContact CG-CB 4.39Å; P574-L577 HydrophobicContact CG-CD1 3.64Å; P574-L577 HydrophobicContact CG-CG 3.85Å; P574-L577 PolarHBondContact O-N 2.94Å; P574-V624 HydrophobicContact CB-CG1 4.24Å; P574-V624 HydrophobicContact CG-CG1 3.94Å; P574-V625 WeakPolarHBondContact CD-O 3.34Å; P574-V625 WeakPolarHBondContact CG-O 3.44Å
575	E	87.8	Confident	88	Confident	182 Å²	182	67.8 Å²	67.8	85%	0.85	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-62.6	-29.4	-178.4	-64.6	-175.5	170.9	0	0	112.9	L577 A578	E575-L577 PolarHBondContact O-N 2.99Å; E575-L577 VanDerWaalsContact O-N 3.17Å; E575-A578 VanDerWaalsContact O-CB 3.27Å; E575-A578 WeakPolarHBondContact O-CB 3.5Å; E575-A578 PolarHBondContact O-N 2.86Å
576	S	89.8	Confident	88.3	Confident	98 Å²	98	68.5 Å²	68.5	69%	0.685	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-61.7	-23.4	178	56.8	0	0	0	0	114	P574	P574-S576 PolarHBondContact O-N 3.34Å
577	L	89.4	Confident	88.4	Confident	18 Å²	18	73.6 Å²	73.6	9%	0.094	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-89.7	-10.5	178.6	-65.3	-180	0	0	0	112.9	P574 E575 D579 Y580 I581 V625 K627 V630	P574-L577 HydrophobicContact CG-CB 4.39Å; P574-L577 HydrophobicContact CG-CD1 3.64Å; P574-L577 HydrophobicContact CG-CG 3.85Å; P574-L577 PolarHBondContact O-N 2.94Å; E575-L577 PolarHBondContact O-N 2.99Å; E575-L577 VanDerWaalsContact O-N 3.17Å; L577-D579 PolarHBondContact O-N 3.3Å; L577-Y580 PolarHBondContact O-N 2.71Å; L577-I581 HydrophobicContact CB-CD1 4.21Å; L577-I581 VanDerWaalsContact O-CG1 3.27Å; L577-I581 WeakPolarHBondContact O-CG1 3.46Å; L577-I581 PolarHBondContact O-N 2.84Å; L577-V625 HydrophobicContact CD1-CG1 4.46Å; L577-V625 VanDerWaalsContact CD1-O 3.29Å; L577-V625 WeakPolarHBondContact CD1-O 3.37Å; L577-K627 HydrophobicContact CD2-CB 3.93Å; L577-K627 HydrophobicContact CD2-CG 4.29Å; L577-V630 HydrophobicContact CD1-CG2 4.36Å
578	A	88.9	Confident	88.3	Confident	46 Å²	46	71.2 Å²	71.2	38%	0.38	39%	0.388	S	S	.	.	H	α-helix	trans	-60.6	-44.3	-177.6	0	0	0	0	0	112.1	E575 Y580 I581 T582	E575-A578 VanDerWaalsContact O-CB 3.27Å; E575-A578 WeakPolarHBondContact O-CB 3.5Å; E575-A578 PolarHBondContact O-N 2.86Å; A578-Y580 VanDerWaalsContact C-N 3.29Å; A578-Y580 PolarHBondContact O-N 3.34Å; A578-I581 PolarHBondContact O-N 3.41Å; A578-T582 WeakPolarHBondContact O-CB 2.86Å; A578-T582 VanDerWaalsContact O-CG2 3.25Å; A578-T582 WeakPolarHBondContact O-CG2 3.26Å; A578-T582 PolarHBondContact O-N 2.67Å; A578-T582 PolarHBondContact O-OG1 3.19Å
579	D	90.2	Very high	88.2	Confident	128 Å²	128	68.5 Å²	68.5	68%	0.684	37%	0.372	S	S	*	.	H	α-helix	trans	-64.3	-36.5	177.8	-68.2	-18.6	0	0	0	111.8	L577 T582 A583	L577-D579 PolarHBondContact O-N 3.3Å; D579-T582 WeakPolarHBondContact CA-OG1 2.88Å; D579-T582 PolarHBondContact O-OG1 3.43Å; D579-A583 VanDerWaalsContact O-CB 3.32Å; D579-A583 WeakPolarHBondContact O-CB 3.3Å; D579-A583 PolarHBondContact O-N 2.64Å
580	Y	91.1	Very high	88.1	Confident	79 Å²	79	73.3 Å²	73.3	31%	0.31	39%	0.388	S	S	.	.	H	α-helix	trans	-68.9	-46.9	177.8	-174.8	-109.8	0	0	0	112.1	L577 A578 T582 A583 A584 K627 V630 N631	L577-Y580 PolarHBondContact O-N 2.71Å; A578-Y580 VanDerWaalsContact C-N 3.29Å; A578-Y580 PolarHBondContact O-N 3.34Å; Y580-T582 VanDerWaalsContact C-N 3.33Å; Y580-T582 PolarHBondContact O-N 2.93Å; Y580-A583 PolarHBondContact O-N 2.94Å; Y580-A584 WeakPolarHBondContact O-CB 3.27Å; Y580-A584 PolarHBondContact O-N 2.86Å; Y580-K627 HydrophobicContact CD1-CG 4.25Å; Y580-K627 HydrophobicContact CE1-CG 4.03Å; Y580-K627 VanDerWaalsContact CZ-CE 3.48Å; Y580-V630 HydrophobicContact CD1-CG1 4.1Å; Y580-V630 HydrophobicContact CE1-CG1 4.08Å; Y580-N631 VanDerWaalsContact CE1-OD1 3.3Å; Y580-N631 WeakPolarHBondContact CE1-OD1 3.48Å; Y580-N631 PolarHBondContact OH-OD1 2.79Å
581	I	89.8	Confident	87.7	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.036	38%	0.381	C	S	.	.	H	α-helix	trans	-64.3	-40.6	179.3	-64.7	164.9	0	0	0	110.5	V573 L577 A578 A584 Y585 L606 I609 L610 V630	V573-I581 HydrophobicContact CG1-CD1 4.32Å; L577-I581 HydrophobicContact CB-CD1 4.21Å; L577-I581 VanDerWaalsContact O-CG1 3.27Å; L577-I581 WeakPolarHBondContact O-CG1 3.46Å; L577-I581 PolarHBondContact O-N 2.84Å; A578-I581 PolarHBondContact O-N 3.41Å; I581-A584 PolarHBondContact O-N 3.43Å; I581-Y585 WeakPolarHBondContact O-CB 3.4Å; I581-Y585 PolarHBondContact O-N 3Å; I581-L606 HydrophobicContact CG2-CD1 3.57Å; I581-I609 HydrophobicContact CG2-CG2 4.43Å; I581-L610 HydrophobicContact CD1-CD2 3.82Å; I581-L610 HydrophobicContact CG2-CD2 4.49Å; I581-V630 HydrophobicContact CD1-CG2 4.23Å; I581-V630 HydrophobicContact CG1-CG1 3.81Å; I581-V630 HydrophobicContact CG1-CG2 4.25Å
582	T	90.2	Very high	86.9	Confident	71 Å²	71	72.4 Å²	72.4	44%	0.436	39%	0.386	S	S	.	.	H	α-helix	trans	-66.5	-43.4	177.4	52.8	0	0	0	0	111.9	A578 D579 Y580 A584 Y585 V586	A578-T582 WeakPolarHBondContact O-CB 2.86Å; A578-T582 VanDerWaalsContact O-CG2 3.25Å; A578-T582 WeakPolarHBondContact O-CG2 3.26Å; A578-T582 PolarHBondContact O-N 2.67Å; A578-T582 PolarHBondContact O-OG1 3.19Å; D579-T582 WeakPolarHBondContact CA-OG1 2.88Å; D579-T582 PolarHBondContact O-OG1 3.43Å; Y580-T582 VanDerWaalsContact C-N 3.33Å; Y580-T582 PolarHBondContact O-N 2.93Å; T582-A584 PolarHBondContact O-N 3.29Å; T582-Y585 PolarHBondContact O-N 2.99Å; T582-V586 WeakPolarHBondContact O-CG2 3.4Å; T582-V586 PolarHBondContact O-N 3.13Å
583	A	90.4	Very high	86.2	Confident	60 Å²	60	77.6 Å²	77.6	50%	0.496	40%	0.396	S	S	.	.	H	α-helix	trans	-59.5	-46.2	174.3	0	0	0	0	0	111.9	D579 Y580 Y585 V586 E587	D579-A583 VanDerWaalsContact O-CB 3.32Å; D579-A583 WeakPolarHBondContact O-CB 3.3Å; D579-A583 PolarHBondContact O-N 2.64Å; Y580-A583 PolarHBondContact O-N 2.94Å; A583-Y585 VanDerWaalsContact C-N 3.35Å; A583-Y585 PolarHBondContact O-N 3.26Å; A583-V586 PolarHBondContact O-N 2.9Å; A583-E587 PolarHBondContact O-N 3.19Å
584	A	86.1	Confident	85.5	Confident	19 Å²	19	79.4 Å²	79.4	16%	0.157	42%	0.416	C	S	.	.	H	α-helix	trans	-60.7	-42.2	177.3	0	0	0	0	0	112.4	Y580 I581 T582 E587 M588 I634	Y580-A584 WeakPolarHBondContact O-CB 3.27Å; Y580-A584 PolarHBondContact O-N 2.86Å; I581-A584 PolarHBondContact O-N 3.43Å; T582-A584 PolarHBondContact O-N 3.29Å; A584-E587 PolarHBondContact O-N 3.19Å; A584-M588 WeakPolarHBondContact O-CG 3.27Å; A584-M588 PolarHBondContact O-N 2.79Å; A584-I634 HydrophobicContact CB-CD1 3.64Å
585	Y	87.5	Confident	84.4	Confident	27 Å²	27	79.6 Å²	79.6	11%	0.106	42%	0.418	C	S	.	.	H	α-helix	trans	-64.6	-40.2	175.9	169.1	-103.3	0	0	0	112.7	I581 T582 A583 E587 M588 R589 A603 T605 L606	I581-Y585 WeakPolarHBondContact O-CB 3.4Å; I581-Y585 PolarHBondContact O-N 3Å; T582-Y585 PolarHBondContact O-N 2.99Å; A583-Y585 VanDerWaalsContact C-N 3.35Å; A583-Y585 PolarHBondContact O-N 3.26Å; Y585-E587 VanDerWaalsContact C-N 3.31Å; Y585-E587 PolarHBondContact O-N 3.26Å; Y585-M588 PolarHBondContact O-N 3.1Å; Y585-R589 WeakPolarHBondContact O-CB 3.38Å; Y585-R589 PolarHBondContact O-N 3.37Å; Y585-A603 WeakPolarHBondContact OH-CA 3.3Å; Y585-T605 WeakPolarHBondContact CE2-OG1 3.25Å; Y585-L606 HydrophobicContact CD2-CB 3.92Å; Y585-L606 HydrophobicContact CE2-CB 4.18Å; Y585-L606 HydrophobicContact CG-CB 4.23Å; Y585-L606 HydrophobicContact CG-CD1 4.13Å
586	V	89	Confident	83	Confident	91 Å²	91	81 Å²	81	55%	0.552	42%	0.422	S	S	*	.	H	α-helix	trans	-62.3	-42	176.5	171.1	0	0	0	0	110.6	T582 A583 R589 R590	T582-V586 WeakPolarHBondContact O-CG2 3.4Å; T582-V586 PolarHBondContact O-N 3.13Å; A583-V586 PolarHBondContact O-N 2.9Å; V586-R589 PolarHBondContact O-N 2.87Å; V586-R590 WeakPolarHBondContact O-CB 3.36Å; V586-R590 PolarHBondContact O-N 3.43Å
587	E	86.5	Confident	81.5	Confident	107 Å²	107	81.7 Å²	81.7	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-64.7	-48.6	178.3	-166.7	59.5	-159.6	0	0	111.7	A583 A584 Y585 R589 R590 E591	A583-E587 PolarHBondContact O-N 3.19Å; A584-E587 PolarHBondContact O-N 3.19Å; Y585-E587 VanDerWaalsContact C-N 3.31Å; Y585-E587 PolarHBondContact O-N 3.26Å; E587-R589 PolarHBondContact O-N 3.14Å; E587-R589 VanDerWaalsContact O-N 3.16Å; E587-R590 WeakPolarHBondContact O-CB 3.43Å; E587-R590 PolarHBondContact O-N 2.88Å; E587-E591 PolarHBondContact O-N 3.39Å
588	M	81.3	Confident	80	Confident	18 Å²	18	82.6 Å²	82.6	9%	0.089	43%	0.427	C	S	.	.	H	α-helix	trans	-56.8	-34.8	174.9	-74.3	-169	-132.6	0	0	113	A584 Y585 A592 I609 I634 M637	A584-M588 WeakPolarHBondContact O-CG 3.27Å; A584-M588 PolarHBondContact O-N 2.79Å; Y585-M588 PolarHBondContact O-N 3.1Å; M588-A592 WeakPolarHBondContact O-CB 3.36Å; M588-A592 PolarHBondContact O-N 3.18Å; M588-A592 VanDerWaalsContact O-N 3.16Å; M588-I609 HydrophobicContact CE-CD1 3.47Å; M588-I609 VanDerWaalsContact CE-CD1 3.47Å; M588-I609 HydrophobicContact CE-CG1 4.41Å; M588-I609 HydrophobicContact SD-CD1 4.18Å; M588-I634 HydrophobicContact CE-CB 4.2Å; M588-I634 HydrophobicContact CE-CG1 3.75Å; M588-I634 HydrophobicContact CE-CG2 3.75Å; M588-M637 HydrophobicContact SD-CG 4.17Å
589	R	82.8	Confident	78.8	Confident	100 Å²	100	82.2 Å²	82.2	38%	0.377	42%	0.42	S	S	.	.	H	α-helix	trans	-74.7	-37.3	178.1	-171.6	174.9	-176.1	176.1	4.1	111.8	Y585 V586 E587 A592 W593	Y585-R589 WeakPolarHBondContact O-CB 3.38Å; Y585-R589 PolarHBondContact O-N 3.37Å; V586-R589 PolarHBondContact O-N 2.87Å; E587-R589 PolarHBondContact O-N 3.14Å; E587-R589 VanDerWaalsContact O-N 3.16Å; R589-A592 PolarHBondContact O-N 3.46Å; R589-W593 PolarHBondContact O-N 3.22Å; R589-W593 VanDerWaalsContact O-N 3.13Å
590	R	84.8	Confident	77.6	Confident	174 Å²	174	85.1 Å²	85.1	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-62.9	-45.6	176.2	-171.7	-177.3	-163.1	170.1	4.3	110.9	V586 E587 W593 A594	V586-R590 WeakPolarHBondContact O-CB 3.36Å; V586-R590 PolarHBondContact O-N 3.43Å; E587-R590 WeakPolarHBondContact O-CB 3.43Å; E587-R590 PolarHBondContact O-N 2.88Å; R590-W593 PolarHBondContact O-N 2.6Å; R590-A594 PolarHBondContact O-N 3.42Å
591	E	78.6	Confident	76.7	Confident	108 Å²	108	82.2 Å²	82.2	51%	0.505	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-42.8	177.3	-174.2	172.8	-156	0	0	112.1	E587 W593 A594 S595	E587-E591 PolarHBondContact O-N 3.39Å; E591-W593 PolarHBondContact O-N 3.03Å; E591-A594 PolarHBondContact O-N 3.44Å; E591-A594 VanDerWaalsContact O-N 3.09Å; E591-S595 PolarHBondContact O-N 3.14Å; E591-S595 VanDerWaalsContact O-N 3.14Å
592	A	73.7	Confident	76.1	Confident	14 Å²	14	82.8 Å²	82.8	12%	0.116	42%	0.418	C	S	.	.	H	α-helix	trans	-63.7	-25.4	175.8	0	0	0	0	0	113.5	M588 R589 S595 A598 T601	M588-A592 WeakPolarHBondContact O-CB 3.36Å; M588-A592 PolarHBondContact O-N 3.18Å; M588-A592 VanDerWaalsContact O-N 3.16Å; R589-A592 PolarHBondContact O-N 3.46Å; A592-S595 VanDerWaalsContact O-O 3.14Å; A592-A598 HydrophobicContact CB-CB 4.18Å; A592-T601 VanDerWaalsContact CB-OG1 3.26Å; A592-T601 WeakPolarHBondContact CB-OG1 3.47Å
593	W	73.8	Confident	75.8	Confident	197 Å²	197	82.7 Å²	82.7	75%	0.746	43%	0.425	S	S	*	.	H	α-helix	trans	-82.1	-29.9	172.6	-78.3	0.1	0	0	0	113.3	R589 R590 E591	R589-W593 PolarHBondContact O-N 3.22Å; R589-W593 VanDerWaalsContact O-N 3.13Å; R590-W593 PolarHBondContact O-N 2.6Å; E591-W593 PolarHBondContact O-N 3.03Å
594	A	73.6	Confident	75.5	Confident	89 Å²	89	83.7 Å²	83.7	74%	0.736	42%	0.416	S	S	*	.	H	α-helix	trans	-69.7	-34.8	177.6	0	0	0	0	0	111.9	R590 E591	R590-A594 PolarHBondContact O-N 3.42Å; E591-A594 PolarHBondContact O-N 3.44Å; E591-A594 VanDerWaalsContact O-N 3.09Å
595	S	66.8	Low	75.5	Confident	39 Å²	39	84.1 Å²	84.1	27%	0.273	42%	0.416	S	S	.	.			trans	-95.5	118	177.8	-174.5	0	0	0	0	111.8	E591 A592 D597 A598	E591-S595 PolarHBondContact O-N 3.14Å; E591-S595 VanDerWaalsContact O-N 3.14Å; A592-S595 VanDerWaalsContact O-O 3.14Å; S595-D597 PolarHBondContact O-N 3.31Å; S595-A598 PolarHBondContact O-N 2.63Å
596	K	58.7	Low	75.5	Confident	212 Å²	212	85 Å²	85	92%	0.922	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.9	175.5	-75.9	-176.5	178.6	178.9	0	113.8
597	D	57.9	Low	75.5	Confident	112 Å²	112	83.8 Å²	83.8	60%	0.599	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-2.3	-179.4	-63.2	-31.2	0	0	0	112.6	S595	S595-D597 PolarHBondContact O-N 3.31Å
598	A	59.2	Low	75.6	Confident	36 Å²	36	78.7 Å²	78.7	30%	0.298	39%	0.389	S	S	.	.	S	Bend	trans	-76.3	142.6	-178.1	0	0	0	0	0	112.5	A592 S595	A592-A598 HydrophobicContact CB-CB 4.18Å; S595-A598 PolarHBondContact O-N 2.63Å
599	T	62.7	Low	76.1	Confident	38 Å²	38	77.9 Å²	77.9	23%	0.233	39%	0.385	C	S	.	.			trans	-58.2	146.4	177.1	-41.2	0	0	0	0	111.7	L501 T601 L644	L501-T599 HydrophobicContact CD2-CG2 4.24Å; T599-T601 PolarHBondContact O-N 2.76Å; T599-T601 PolarHBondContact O-OG1 2.89Å; T599-L644 WeakPolarHBondContact OG1-CD1 3.32Å
600	Y	65.9	Low	76.5	Confident	189 Å²	189	75.5 Å²	75.5	74%	0.741	38%	0.38	S	S	*	.			trans	-59	100.2	177.9	-161.5	-91.2	0	0	0	111.4	S602	Y600-S602 PolarHBondContact O-N 3.04Å
601	T	71.9	Confident	76.8	Confident	18 Å²	18	68.2 Å²	68.2	11%	0.11	35%	0.352	C	S	.	.			trans	-83.1	108.1	178.8	-55.5	0	0	0	0	108.8	A592 T599 T605	A592-T601 VanDerWaalsContact CB-OG1 3.26Å; A592-T601 WeakPolarHBondContact CB-OG1 3.47Å; T599-T601 PolarHBondContact O-N 2.76Å; T599-T601 PolarHBondContact O-OG1 2.89Å; T601-T605 HydrophobicContact CG2-CG2 4.08Å
602	S	77.1	Confident	77.5	Confident	20 Å²	20	63 Å²	63	14%	0.14	33%	0.328	C	S	.	.			trans	-103.5	167.6	-177.8	73.8	0	0	0	0	111.8	Y600 R604 T605	Y600-S602 PolarHBondContact O-N 3.04Å; S602-R604 PolarHBondContact O-N 3.48Å; S602-R604 WeakPolarHBondContact OG-CB 3.3Å; S602-R604 PolarHBondContact OG-N 2.93Å; S602-T605 PolarHBondContact O-N 3.49Å; S602-T605 PolarHBondContact O-OG1 3.5Å
603	A	82.5	Confident	78.4	Confident	69 Å²	69	62.5 Å²	62.5	57%	0.57	32%	0.323	S	S	*	.	H	α-helix	trans	-57.9	-17.1	173.4	0	0	0	0	0	113.8	Y585 T605 L606	Y585-A603 WeakPolarHBondContact OH-CA 3.3Å; A603-T605 VanDerWaalsContact C-N 3.27Å; A603-T605 PolarHBondContact O-N 3.3Å; A603-L606 WeakPolarHBondContact O-CB 3.12Å; A603-L606 PolarHBondContact O-N 3.28Å
604	R	85	Confident	79.2	Confident	81 Å²	81	53.5 Å²	53.5	31%	0.306	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-24.9	173.7	-66.2	-176.8	175.2	112.9	1.7	112.9	E463 S513 S602 L606 L607 A608	E463-R604 IonicContact OE1-NH2 2.59Å; E463-R604 IonicContact OE2-CZ 3.84Å; E463-R604 IonicContact OE2-NE 3.09Å; E463-R604 IonicContact OE2-NH2 2.96Å; E463-R604 PolarHBondContact OE2-NH2 3.29Å; S513-R604 WeakPolarHBondContact O-CD 3.42Å; S513-R604 PolarHBondContact OG-NH1 3.3Å; S602-R604 PolarHBondContact O-N 3.48Å; S602-R604 WeakPolarHBondContact OG-CB 3.3Å; S602-R604 PolarHBondContact OG-N 2.93Å; R604-L606 VanDerWaalsContact C-N 3.28Å; R604-L606 PolarHBondContact O-N 3.07Å; R604-L607 WeakPolarHBondContact O-CB 3.44Å; R604-L607 PolarHBondContact O-N 3.12Å; R604-L607 VanDerWaalsContact O-N 3.13Å; R604-A608 PolarHBondContact O-N 3.16Å
605	T	85.8	Confident	80.1	Confident	28 Å²	28	49.2 Å²	49.2	17%	0.172	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-31.7	177.7	64	0	0	0	0	111.6	Y585 T601 S602 A603 L607 A608 I609	Y585-T605 WeakPolarHBondContact CE2-OG1 3.25Å; T601-T605 HydrophobicContact CG2-CG2 4.08Å; S602-T605 PolarHBondContact O-N 3.49Å; S602-T605 PolarHBondContact O-OG1 3.5Å; A603-T605 VanDerWaalsContact C-N 3.27Å; A603-T605 PolarHBondContact O-N 3.3Å; T605-L607 VanDerWaalsContact C-N 3.34Å; T605-A608 WeakPolarHBondContact O-CB 3.46Å; T605-A608 PolarHBondContact O-N 3.39Å; T605-I609 WeakPolarHBondContact O-CG1 3.28Å; T605-I609 PolarHBondContact O-N 3.47Å
606	L	88.9	Confident	81.3	Confident	46 Å²	46	47.8 Å²	47.8	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-44.4	170.4	-179.6	67.7	0	0	0	111.2	I581 Y585 A603 R604 A608 I609 L610	I581-L606 HydrophobicContact CG2-CD1 3.57Å; Y585-L606 HydrophobicContact CD2-CB 3.92Å; Y585-L606 HydrophobicContact CE2-CB 4.18Å; Y585-L606 HydrophobicContact CG-CB 4.23Å; Y585-L606 HydrophobicContact CG-CD1 4.13Å; A603-L606 WeakPolarHBondContact O-CB 3.12Å; A603-L606 PolarHBondContact O-N 3.28Å; R604-L606 VanDerWaalsContact C-N 3.28Å; R604-L606 PolarHBondContact O-N 3.07Å; L606-A608 VanDerWaalsContact C-N 3.3Å; L606-A608 PolarHBondContact O-N 3.15Å; L606-I609 PolarHBondContact O-N 2.96Å; L606-L610 PolarHBondContact O-N 3.36Å; L606-L610 VanDerWaalsContact O-N 3.15Å
607	L	88.4	Confident	82.8	Confident	64 Å²	64	37.7 Å²	37.7	34%	0.335	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-35.6	175.5	-61.2	177.5	0	0	0	111.6	R604 T605 L610 R611	R604-L607 WeakPolarHBondContact O-CB 3.44Å; R604-L607 PolarHBondContact O-N 3.12Å; R604-L607 VanDerWaalsContact O-N 3.13Å; T605-L607 VanDerWaalsContact C-N 3.34Å; L607-L610 PolarHBondContact O-N 3.24Å; L607-R611 WeakPolarHBondContact O-CG 3.14Å; L607-R611 PolarHBondContact O-N 3.35Å
608	A	89.1	Confident	84.3	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-44.6	175	0	0	0	0	0	111.7	D516 R604 T605 L606 L610 R611 L612 M637	D516-A608 HydrophobicContact CB-CB 3.74Å; R604-A608 PolarHBondContact O-N 3.16Å; T605-A608 WeakPolarHBondContact O-CB 3.46Å; T605-A608 PolarHBondContact O-N 3.39Å; L606-A608 VanDerWaalsContact C-N 3.3Å; L606-A608 PolarHBondContact O-N 3.15Å; A608-L610 VanDerWaalsContact C-N 3.33Å; A608-L610 PolarHBondContact O-N 3.17Å; A608-R611 PolarHBondContact O-N 3.42Å; A608-L612 WeakPolarHBondContact O-CB 3.43Å; A608-L612 WeakPolarHBondContact O-CG 3.48Å; A608-L612 PolarHBondContact O-N 2.95Å; A608-M637 HydrophobicContact CB-CE 3.92Å
609	I	90.9	Very high	85.6	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-44.7	176.2	-65.1	162.1	0	0	0	110.5	I581 M588 T605 L606 R611 L612 S613 V630 I634 M637	I581-I609 HydrophobicContact CG2-CG2 4.43Å; M588-I609 HydrophobicContact CE-CD1 3.47Å; M588-I609 VanDerWaalsContact CE-CD1 3.47Å; M588-I609 HydrophobicContact CE-CG1 4.41Å; M588-I609 HydrophobicContact SD-CD1 4.18Å; T605-I609 WeakPolarHBondContact O-CG1 3.28Å; T605-I609 PolarHBondContact O-N 3.47Å; L606-I609 PolarHBondContact O-N 2.96Å; I609-R611 PolarHBondContact O-N 2.95Å; I609-L612 PolarHBondContact O-N 3.42Å; I609-S613 WeakPolarHBondContact O-CB 3.39Å; I609-S613 PolarHBondContact O-N 3.41Å; I609-S613 PolarHBondContact O-OG 3.47Å; I609-V630 HydrophobicContact CG2-CG1 4.49Å; I609-I634 HydrophobicContact CG2-CG1 4.48Å; I609-M637 HydrophobicContact CG1-CE 4.42Å
610	L	90.9	Very high	86.7	Confident	50 Å²	50	35.3 Å²	35.3	26%	0.262	17%	0.171	S	C	.	.	H	α-helix	trans	-62.2	-42	177	-71.4	169.1	0	0	0	112.4	V573 I581 L606 L607 A608 T614	V573-L610 HydrophobicContact CG1-CD2 4.32Å; V573-L610 HydrophobicContact CG2-CD2 4.33Å; I581-L610 HydrophobicContact CD1-CD2 3.82Å; I581-L610 HydrophobicContact CG2-CD2 4.49Å; L606-L610 PolarHBondContact O-N 3.36Å; L606-L610 VanDerWaalsContact O-N 3.15Å; L607-L610 PolarHBondContact O-N 3.24Å; A608-L610 VanDerWaalsContact C-N 3.33Å; A608-L610 PolarHBondContact O-N 3.17Å; L610-T614 WeakPolarHBondContact O-CG2 3.38Å; L610-T614 PolarHBondContact O-N 2.95Å; L610-T614 PolarHBondContact O-OG1 3.38Å
611	R	91.5	Very high	87.6	Confident	20 Å²	20	28.6 Å²	28.6	8%	0.075	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-43.9	176.4	-72.6	179.2	-163	134	11.1	112.6	R372 I375 D516 L607 A608 I609 T614 A615	R372-R611 VanDerWaalsContact CG-CZ 3.48Å; R372-R611 VanDerWaalsContact NE-CZ 3.31Å; R372-R611 VanDerWaalsContact NH2-NH1 3.11Å; R372-R611 PolarHBondContact O-NE 3.03Å; R372-R611 PolarHBondContact O-NH2 3.24Å; I375-R611 HydrophobicContact CG1-CB 4.24Å; D516-R611 IonicContact OD1-NH1 3.35Å; D516-R611 PolarHBondContact OD1-NH1 3.13Å; D516-R611 IonicContact OD2-CZ 2.7Å; D516-R611 IonicContact OD2-NH1 3.22Å; D516-R611 PolarHBondContact OD2-NH1 3.48Å; L607-R611 WeakPolarHBondContact O-CG 3.14Å; L607-R611 PolarHBondContact O-N 3.35Å; A608-R611 PolarHBondContact O-N 3.42Å; I609-R611 PolarHBondContact O-N 2.95Å; R611-T614 WeakPolarHBondContact CA-OG1 3.42Å; R611-T614 PolarHBondContact O-N 3.42Å; R611-T614 PolarHBondContact O-OG1 2.89Å; R611-A615 WeakPolarHBondContact O-CB 3.33Å; R611-A615 PolarHBondContact O-N 2.96Å
612	L	92.4	Very high	88.4	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-42.9	177.9	-70.6	167.4	0	0	0	111	L356 I375 L517 A608 I609 T614 A615 L616 A633 M637	L356-L612 HydrophobicContact CB-CD2 4.36Å; L356-L612 HydrophobicContact CD1-CD2 3.78Å; I375-L612 HydrophobicContact CD1-CD2 3.99Å; I375-L612 HydrophobicContact CG2-CD2 4.37Å; L517-L612 HydrophobicContact CD1-CD1 4.25Å; L517-L612 HydrophobicContact CD1-CD2 3.89Å; L517-L612 HydrophobicContact CD2-CD1 3.95Å; L517-L612 HydrophobicContact CG-CD1 4.17Å; L517-L612 HydrophobicContact CG-CD2 4.49Å; A608-L612 WeakPolarHBondContact O-CB 3.43Å; A608-L612 WeakPolarHBondContact O-CG 3.48Å; A608-L612 PolarHBondContact O-N 2.95Å; I609-L612 PolarHBondContact O-N 3.42Å; L612-T614 PolarHBondContact O-N 3.37Å; L612-A615 PolarHBondContact O-N 3.41Å; L612-L616 WeakPolarHBondContact O-CG 3.35Å; L612-L616 PolarHBondContact O-N 3.01Å; L612-A633 HydrophobicContact CB-CB 3.77Å; L612-M637 HydrophobicContact CD1-CE 4.14Å
613	S	92.6	Very high	88.9	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-41.9	177.9	-50.7	0	0	0	0	111.7	I609 L616 A617	I609-S613 WeakPolarHBondContact O-CB 3.39Å; I609-S613 PolarHBondContact O-N 3.41Å; I609-S613 PolarHBondContact O-OG 3.47Å; S613-L616 PolarHBondContact O-N 2.93Å; S613-A617 PolarHBondContact O-N 2.92Å
614	T	92.1	Very high	89.4	Confident	8 Å²	8	33 Å²	33	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-69.4	-32.4	175.8	52.6	0	0	0	0	112.8	P571 V573 L610 R611 L612 R618 V625	P571-T614 WeakPolarHBondContact CG-O 3.31Å; V573-T614 HydrophobicContact CG2-CG2 3.89Å; L610-T614 WeakPolarHBondContact O-CG2 3.38Å; L610-T614 PolarHBondContact O-N 2.95Å; L610-T614 PolarHBondContact O-OG1 3.38Å; R611-T614 WeakPolarHBondContact CA-OG1 3.42Å; R611-T614 PolarHBondContact O-N 3.42Å; R611-T614 PolarHBondContact O-OG1 2.89Å; L612-T614 PolarHBondContact O-N 3.37Å; T614-R618 WeakPolarHBondContact O-CG 3.32Å; T614-R618 PolarHBondContact O-N 3.45Å; T614-V625 HydrophobicContact CG2-CG2 4.03Å
615	A	91.7	Very high	89.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.6	-37.7	173	0	0	0	0	0	112.3	L356 I375 R611 L612 R618 L619	L356-A615 HydrophobicContact CB-CB 4.49Å; L356-A615 HydrophobicContact CD2-CB 3.94Å; I375-A615 HydrophobicContact CD1-CB 3.85Å; R611-A615 WeakPolarHBondContact O-CB 3.33Å; R611-A615 PolarHBondContact O-N 2.96Å; L612-A615 PolarHBondContact O-N 3.41Å; A615-R618 WeakPolarHBondContact O-CB 3.45Å; A615-R618 PolarHBondContact O-N 3.25Å; A615-L619 PolarHBondContact O-N 3.03Å
616	L	91.3	Very high	90	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.047	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-44.4	173.1	-76.5	165.4	0	0	0	111.7	Y333 L356 L612 S613 R618 L619 R620 D629 E632 A633	Y333-L616 HydrophobicContact CD2-CD2 4.43Å; Y333-L616 HydrophobicContact CE2-CD2 3.78Å; L356-L616 HydrophobicContact CD1-CD2 4.35Å; L356-L616 HydrophobicContact CD1-CG 4.3Å; L356-L616 HydrophobicContact CD2-CB 4.49Å; L356-L616 HydrophobicContact CD2-CD2 3.66Å; L356-L616 HydrophobicContact CD2-CG 3.67Å; L612-L616 WeakPolarHBondContact O-CG 3.35Å; L612-L616 PolarHBondContact O-N 3.01Å; S613-L616 PolarHBondContact O-N 2.93Å; L616-R618 VanDerWaalsContact C-N 3.29Å; L616-R618 PolarHBondContact O-N 2.94Å; L616-L619 WeakPolarHBondContact O-CB 3.25Å; L616-L619 PolarHBondContact O-N 3.5Å; L616-L619 VanDerWaalsContact O-N 3.12Å; L616-R620 PolarHBondContact O-N 2.97Å; L616-R620 VanDerWaalsContact O-N 3.16Å; L616-D629 HydrophobicContact CB-CB 4.04Å; L616-D629 HydrophobicContact CD1-CB 4.46Å; L616-D629 WeakPolarHBondContact CD1-O 3.27Å; L616-E632 HydrophobicContact CD1-CB 4.02Å; L616-E632 HydrophobicContact CD1-CG 4.13Å; L616-E632 HydrophobicContact CD2-CG 4.45Å; L616-A633 HydrophobicContact CD1-CB 4.21Å
617	A	90.6	Very high	90.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-37.4	175.3	0	0	0	0	0	112.4	P571 S613 R620 M621 V622 V625	P571-A617 HydrophobicContact CB-CB 3.86Å; P571-A617 HydrophobicContact CG-CB 3.93Å; S613-A617 PolarHBondContact O-N 2.92Å; A617-R620 PolarHBondContact O-N 3.42Å; A617-M621 PolarHBondContact O-N 3.43Å; A617-V622 PolarHBondContact O-N 3.15Å; A617-V622 VanDerWaalsContact O-N 3.14Å; A617-V625 HydrophobicContact CB-CG2 3.89Å
618	R	89.1	Confident	90.2	Very high	20 Å²	20	38.1 Å²	38.1	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-42.8	172	-80.1	177.8	165.9	178.8	-3.7	112.8	V359 G360 G361 K569 P571 T614 A615 L616 R620 M621	V359-R618 HydrophobicContact CG1-CB 3.6Å; G360-R618 VanDerWaalsContact O-CD 3.32Å; G360-R618 WeakPolarHBondContact O-CD 3.44Å; G360-R618 PolarHBondContact O-NH1 3.37Å; G361-R618 PolarHBondContact O-NH1 3.36Å; K569-R618 HydrophobicContact CB-CG 4.48Å; K569-R618 PolarHBondContact O-NE 2.97Å; K569-R618 PolarHBondContact O-NH2 3.2Å; P571-R618 HydrophobicContact CG-CG 3.85Å; T614-R618 WeakPolarHBondContact O-CG 3.32Å; T614-R618 PolarHBondContact O-N 3.45Å; A615-R618 WeakPolarHBondContact O-CB 3.45Å; A615-R618 PolarHBondContact O-N 3.25Å; L616-R618 VanDerWaalsContact C-N 3.29Å; L616-R618 PolarHBondContact O-N 2.94Å; R618-R620 PolarHBondContact O-N 3.32Å; R618-M621 PolarHBondContact O-N 3.19Å
619	L	88.2	Confident	90.3	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-34.2	177.2	-84.5	172.6	0	0	0	112.8	Y333 L336 L355 L356 V359 Y562 A615 L616 M621	Y333-L619 HydrophobicContact CD2-CD1 4.04Å; Y333-L619 HydrophobicContact CE2-CD1 3.98Å; L336-L619 HydrophobicContact CD1-CD2 4.29Å; L355-L619 HydrophobicContact CD1-CD2 4.41Å; L355-L619 HydrophobicContact CD2-CD1 3.81Å; L355-L619 HydrophobicContact CD2-CD2 4.16Å; L355-L619 HydrophobicContact CG-CD1 3.99Å; L355-L619 HydrophobicContact CG-CD2 4.15Å; L356-L619 HydrophobicContact CD2-CD1 3.62Å; V359-L619 HydrophobicContact CB-CG 4.4Å; V359-L619 HydrophobicContact CG1-CG 4.36Å; V359-L619 HydrophobicContact CG2-CD1 4.28Å; V359-L619 HydrophobicContact CG2-CD2 3.33Å; V359-L619 HydrophobicContact CG2-CG 3.64Å; Y562-L619 HydrophobicContact CE1-CD2 4.43Å; Y562-L619 PolarHBondContact OH-O 3.45Å; A615-L619 PolarHBondContact O-N 3.03Å; L616-L619 WeakPolarHBondContact O-CB 3.25Å; L616-L619 PolarHBondContact O-N 3.5Å; L616-L619 VanDerWaalsContact O-N 3.12Å; L619-M621 VanDerWaalsContact C-N 3.31Å
620	R	85.6	Confident	90.3	Very high	108 Å²	108	38.4 Å²	38.4	41%	0.408	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.6	176.1	-66.5	176.3	60.3	-167.5	-2.5	113.7	L616 A617 R618 V622 E626 D629	L616-R620 PolarHBondContact O-N 2.97Å; L616-R620 VanDerWaalsContact O-N 3.16Å; A617-R620 PolarHBondContact O-N 3.42Å; R618-R620 PolarHBondContact O-N 3.32Å; R620-V622 HydrophobicContact CB-CG2 3.84Å; R620-V622 PolarHBondContact O-N 3.11Å; R620-E626 IonicContact CZ-OE2 2.86Å; R620-E626 VanDerWaalsContact CZ-OE2 3.23Å; R620-E626 IonicContact NH1-OE2 3.71Å; R620-E626 PolarHBondContact NH1-OE2 2.96Å; R620-E626 IonicContact NH2-OE1 3.19Å; R620-E626 IonicContact NH2-OE2 3.83Å; R620-E626 PolarHBondContact NH2-OE2 3.43Å; R620-D629 WeakPolarHBondContact CD-OD1 3.31Å; R620-D629 IonicContact CZ-OD1 3.54Å; R620-D629 IonicContact NH1-OD1 3.81Å; R620-D629 PolarHBondContact NH1-OD1 3.02Å; R620-D629 IonicContact NH1-OD2 3.54Å
621	M	84.9	Confident	90.4	Very high	47 Å²	47	39.1 Å²	39.1	23%	0.232	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	30.5	-175.4	-60.6	-66.8	-127	0	0	114.2	M565 C566 K569 A617 R618 L619	M565-M621 HydrophobicContact CB-CE 3.73Å; M565-M621 HydrophobicContact CE-CE 3.79Å; M565-M621 HydrophobicContact CG-CE 3.38Å; M565-M621 HydrophobicContact SD-CE 3.35Å; M565-M621 WeakPolarHBondContact SD-CE 3.4Å; C566-M621 HydrophobicContact CB-SD 4.37Å; K569-M621 HydrophobicContact CG-SD 3.79Å; A617-M621 PolarHBondContact O-N 3.43Å; R618-M621 PolarHBondContact O-N 3.19Å; L619-M621 VanDerWaalsContact C-N 3.31Å
622	V	87.3	Confident	90.3	Very high	45 Å²	45	40.1 Å²	40.1	27%	0.273	20%	0.195	S	C	.	.			trans	-99.8	141.9	178.9	-171	0	0	0	0	109.8	A617 R620 V624	A617-V622 PolarHBondContact O-N 3.15Å; A617-V622 VanDerWaalsContact O-N 3.14Å; R620-V622 HydrophobicContact CB-CG2 3.84Å; R620-V622 PolarHBondContact O-N 3.11Å; V622-V624 WeakPolarHBondContact CG1-O 3.45Å
623	D	89.1	Confident	90.2	Very high	88 Å²	88	40.1 Å²	40.1	47%	0.471	20%	0.195	S	C	.	.	S	Bend	trans	-85.4	-8.5	-178	-61	-38.3	0	0	0	113.3	K569 P571 T572	K569-D623 IonicContact NZ-OD1 3.23Å; K569-D623 PolarHBondContact NZ-OD1 2.91Å; P571-D623 CarbonylContact C-O 3.53Å; P571-D623 VanDerWaalsContact CA-O 3.26Å; P571-D623 WeakPolarHBondContact CA-O 3.46Å; T572-D623 PolarHBondContact N-O 3.13Å; T572-D623 PolarHBondContact OG1-O 3.43Å
624	V	91.7	Very high	90.1	Very high	68 Å²	68	41.3 Å²	41.3	41%	0.412	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-129.2	133.7	-179.7	-176.4	0	0	0	0	109.4	P574 V622	P574-V624 HydrophobicContact CB-CG1 4.24Å; P574-V624 HydrophobicContact CG-CG1 3.94Å; V622-V624 WeakPolarHBondContact CG1-O 3.45Å
625	V	92.2	Very high	90.1	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	21%	0.213	C	C	.	.			trans	-73.4	132	176	179.9	0	0	0	0	110.3	P571 T572 V573 P574 L577 T614 A617 D629 V630	P571-V625 HydrophobicContact CB-CG2 4.4Å; T572-V625 PolarHBondContact O-N 3.39Å; T572-V625 VanDerWaalsContact O-N 3.11Å; V573-V625 HydrophobicContact CG2-CG2 4.12Å; P574-V625 WeakPolarHBondContact CD-O 3.34Å; P574-V625 WeakPolarHBondContact CG-O 3.44Å; L577-V625 HydrophobicContact CD1-CG1 4.46Å; L577-V625 VanDerWaalsContact CD1-O 3.29Å; L577-V625 WeakPolarHBondContact CD1-O 3.37Å; T614-V625 HydrophobicContact CG2-CG2 4.03Å; A617-V625 HydrophobicContact CB-CG2 3.89Å; V625-D629 HydrophobicContact CG1-CB 4.17Å; V625-V630 HydrophobicContact CG1-CG2 4.1Å
626	E	91.8	Very high	89.9	Confident	79 Å²	79	44.8 Å²	44.8	37%	0.369	21%	0.213	S	C	.	.			trans	-97.4	165.7	176.7	-68.5	-177.9	164.4	0	0	112.3	R620 E628 D629 V630	R620-E626 IonicContact CZ-OE2 2.86Å; R620-E626 VanDerWaalsContact CZ-OE2 3.23Å; R620-E626 IonicContact NH1-OE2 3.71Å; R620-E626 PolarHBondContact NH1-OE2 2.96Å; R620-E626 IonicContact NH2-OE1 3.19Å; R620-E626 IonicContact NH2-OE2 3.83Å; R620-E626 PolarHBondContact NH2-OE2 3.43Å; E626-E628 PolarHBondContact O-N 3.32Å; E626-D629 PolarHBondContact N-OD2 3.06Å; E626-D629 PolarHBondContact O-N 3.46Å; E626-V630 PolarHBondContact O-N 2.87Å
627	K	91.4	Very high	89.7	Confident	109 Å²	109	44.9 Å²	44.9	47%	0.474	21%	0.213	S	C	.	.	H	α-helix	trans	-62.8	-32.4	177.4	-171.2	179.9	178.1	-175.4	0	112.2	L577 Y580 V630 N631	L577-K627 HydrophobicContact CD2-CB 3.93Å; L577-K627 HydrophobicContact CD2-CG 4.29Å; Y580-K627 HydrophobicContact CD1-CG 4.25Å; Y580-K627 HydrophobicContact CE1-CG 4.03Å; Y580-K627 VanDerWaalsContact CZ-CE 3.48Å; K627-V630 PolarHBondContact O-N 3.33Å; K627-N631 PolarHBondContact O-N 2.99Å
628	E	90	Very high	89.4	Confident	134 Å²	134	49.4 Å²	49.4	63%	0.626	23%	0.234	S	C	*	.	H	α-helix	trans	-65.2	-40.3	179.9	-62.6	-179	180	0	0	111.6	E626 V630 N631 E632	E626-E628 PolarHBondContact O-N 3.32Å; E628-V630 VanDerWaalsContact C-N 3.3Å; E628-V630 PolarHBondContact O-N 3.08Å; E628-N631 WeakPolarHBondContact O-CB 3.42Å; E628-N631 PolarHBondContact O-N 3.41Å; E628-N631 VanDerWaalsContact O-N 3.17Å; E628-E632 PolarHBondContact O-N 2.66Å
629	D	91	Very high	89.2	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.043	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-39.9	176.8	-53.1	-38.5	0	0	0	111	L616 R620 V625 E626 E632 A633	L616-D629 HydrophobicContact CB-CB 4.04Å; L616-D629 HydrophobicContact CD1-CB 4.46Å; L616-D629 WeakPolarHBondContact CD1-O 3.27Å; R620-D629 WeakPolarHBondContact CD-OD1 3.31Å; R620-D629 IonicContact CZ-OD1 3.54Å; R620-D629 IonicContact NH1-OD1 3.81Å; R620-D629 PolarHBondContact NH1-OD1 3.02Å; R620-D629 IonicContact NH1-OD2 3.54Å; V625-D629 HydrophobicContact CG1-CB 4.17Å; E626-D629 PolarHBondContact N-OD2 3.06Å; E626-D629 PolarHBondContact O-N 3.46Å; D629-E632 PolarHBondContact O-N 3.19Å; D629-A633 WeakPolarHBondContact O-CB 3.35Å; D629-A633 PolarHBondContact O-N 3.48Å
630	V	91	Very high	88.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-41.3	176.1	178.9	0	0	0	0	110.8	L577 Y580 I581 I609 V625 E626 K627 E628 A633 I634	L577-V630 HydrophobicContact CD1-CG2 4.36Å; Y580-V630 HydrophobicContact CD1-CG1 4.1Å; Y580-V630 HydrophobicContact CE1-CG1 4.08Å; I581-V630 HydrophobicContact CD1-CG2 4.23Å; I581-V630 HydrophobicContact CG1-CG1 3.81Å; I581-V630 HydrophobicContact CG1-CG2 4.25Å; I609-V630 HydrophobicContact CG2-CG1 4.49Å; V625-V630 HydrophobicContact CG1-CG2 4.1Å; E626-V630 PolarHBondContact O-N 2.87Å; K627-V630 PolarHBondContact O-N 3.33Å; E628-V630 VanDerWaalsContact C-N 3.3Å; E628-V630 PolarHBondContact O-N 3.08Å; V630-A633 PolarHBondContact O-N 2.94Å; V630-I634 HydrophobicContact CG1-CD1 3.84Å; V630-I634 HydrophobicContact CG1-CG1 4.46Å; V630-I634 WeakPolarHBondContact O-CD1 3.21Å; V630-I634 VanDerWaalsContact O-CG1 3.22Å; V630-I634 WeakPolarHBondContact O-CG1 3.37Å; V630-I634 PolarHBondContact O-N 2.95Å
631	N	92	Very high	88.5	Confident	66 Å²	66	48.5 Å²	48.5	35%	0.353	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-43.2	177.3	-73.3	-14.8	0	0	0	112	Y580 K627 E628 I634 R635	Y580-N631 VanDerWaalsContact CE1-OD1 3.3Å; Y580-N631 WeakPolarHBondContact CE1-OD1 3.48Å; Y580-N631 PolarHBondContact OH-OD1 2.79Å; K627-N631 PolarHBondContact O-N 2.99Å; E628-N631 WeakPolarHBondContact O-CB 3.42Å; E628-N631 PolarHBondContact O-N 3.41Å; E628-N631 VanDerWaalsContact O-N 3.17Å; N631-I634 PolarHBondContact O-N 3.25Å; N631-R635 WeakPolarHBondContact O-CB 3.38Å; N631-R635 PolarHBondContact O-N 2.77Å
632	E	90.3	Very high	88	Confident	40 Å²	40	49.9 Å²	49.9	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-39	177	-177.1	62.4	-171.5	0	0	111.4	Y333 L616 E628 D629 I634 R635 L636	Y333-E632 HydrophobicContact CE1-CG 4.31Å; L616-E632 HydrophobicContact CD1-CB 4.02Å; L616-E632 HydrophobicContact CD1-CG 4.13Å; L616-E632 HydrophobicContact CD2-CG 4.45Å; E628-E632 PolarHBondContact O-N 2.66Å; D629-E632 PolarHBondContact O-N 3.19Å; E632-I634 VanDerWaalsContact C-N 3.31Å; E632-I634 PolarHBondContact O-N 3.35Å; E632-R635 WeakPolarHBondContact O-CB 3.39Å; E632-R635 PolarHBondContact O-N 3.1Å; E632-R635 IonicContact OE1-CZ 2.69Å; E632-R635 IonicContact OE1-NE 2.93Å; E632-R635 PolarHBondContact OE1-NE 2.91Å; E632-R635 IonicContact OE1-NH2 3.02Å; E632-R635 PolarHBondContact OE1-NH2 3.01Å; E632-R635 IonicContact OE2-CZ 2.87Å; E632-R635 IonicContact OE2-NE 3.13Å; E632-R635 PolarHBondContact OE2-NE 3.11Å; E632-R635 IonicContact OE2-NH2 3.67Å; E632-L636 WeakPolarHBondContact O-CG 3.13Å; E632-L636 PolarHBondContact O-N 3.25Å
633	A	91.1	Very high	87.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-39.7	173.6	0	0	0	0	0	112.4	L612 L616 D629 V630 M637	L612-A633 HydrophobicContact CB-CB 3.77Å; L616-A633 HydrophobicContact CD1-CB 4.21Å; D629-A633 WeakPolarHBondContact O-CB 3.35Å; D629-A633 PolarHBondContact O-N 3.48Å; V630-A633 PolarHBondContact O-N 2.94Å; A633-M637 PolarHBondContact O-N 3.49Å; A633-M637 VanDerWaalsContact O-N 3.16Å
634	I	90.1	Very high	85.9	Confident	27 Å²	27	46.6 Å²	46.6	14%	0.138	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-45.1	174.4	-67.8	163.5	0	0	0	110.4	A584 M588 I609 V630 N631 E632 L636 M637 E638	A584-I634 HydrophobicContact CB-CD1 3.64Å; M588-I634 HydrophobicContact CE-CB 4.2Å; M588-I634 HydrophobicContact CE-CG1 3.75Å; M588-I634 HydrophobicContact CE-CG2 3.75Å; I609-I634 HydrophobicContact CG2-CG1 4.48Å; V630-I634 HydrophobicContact CG1-CD1 3.84Å; V630-I634 HydrophobicContact CG1-CG1 4.46Å; V630-I634 WeakPolarHBondContact O-CD1 3.21Å; V630-I634 VanDerWaalsContact O-CG1 3.22Å; V630-I634 WeakPolarHBondContact O-CG1 3.37Å; V630-I634 PolarHBondContact O-N 2.95Å; N631-I634 PolarHBondContact O-N 3.25Å; E632-I634 VanDerWaalsContact C-N 3.31Å; E632-I634 PolarHBondContact O-N 3.35Å; I634-L636 VanDerWaalsContact C-N 3.33Å; I634-L636 PolarHBondContact O-N 2.98Å; I634-M637 WeakPolarHBondContact O-CB 3.47Å; I634-M637 PolarHBondContact O-N 2.98Å; I634-E638 PolarHBondContact O-N 2.95Å
635	R	90.9	Very high	84.6	Confident	81 Å²	81	46.7 Å²	46.7	31%	0.306	23%	0.226	S	C	.	.	H	α-helix	trans	-55.6	-47	177.1	-171	-179.6	82.5	104.3	14.5	111.2	D349 N631 E632 M637 E638 M639	D349-R635 IonicContact OD1-NH2 3.22Å; D349-R635 PolarHBondContact OD1-NH2 2.93Å; N631-R635 WeakPolarHBondContact O-CB 3.38Å; N631-R635 PolarHBondContact O-N 2.77Å; E632-R635 WeakPolarHBondContact O-CB 3.39Å; E632-R635 PolarHBondContact O-N 3.1Å; E632-R635 IonicContact OE1-CZ 2.69Å; E632-R635 IonicContact OE1-NE 2.93Å; E632-R635 PolarHBondContact OE1-NE 2.91Å; E632-R635 IonicContact OE1-NH2 3.02Å; E632-R635 PolarHBondContact OE1-NH2 3.01Å; E632-R635 IonicContact OE2-CZ 2.87Å; E632-R635 IonicContact OE2-NE 3.13Å; E632-R635 PolarHBondContact OE2-NE 3.11Å; E632-R635 IonicContact OE2-NH2 3.67Å; R635-M637 VanDerWaalsContact C-N 3.32Å; R635-M637 PolarHBondContact O-N 3.31Å; R635-E638 PolarHBondContact O-N 2.89Å; R635-M639 HydrophobicContact CG-CE 4.49Å; R635-M639 HydrophobicContact CG-CG 4.44Å; R635-M639 WeakPolarHBondContact O-CB 3.39Å; R635-M639 WeakPolarHBondContact O-CG 3.49Å; R635-M639 PolarHBondContact O-N 3.19Å
636	L	89.1	Confident	82.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-38.5	176.9	-70.2	175.1	0	0	0	112.3	D349 K352 L356 E632 I634 S640	D349-L636 HydrophobicContact CB-CD2 4.41Å; K352-L636 HydrophobicContact CB-CD2 4.4Å; L356-L636 HydrophobicContact CD1-CD1 3.57Å; E632-L636 WeakPolarHBondContact O-CG 3.13Å; E632-L636 PolarHBondContact O-N 3.25Å; I634-L636 VanDerWaalsContact C-N 3.33Å; I634-L636 PolarHBondContact O-N 2.98Å; L636-S640 WeakPolarHBondContact O-CB 3.45Å; L636-S640 PolarHBondContact O-N 3.29Å; L636-S640 VanDerWaalsContact O-N 3.11Å
637	M	86.1	Confident	80.7	Confident	11 Å²	11	47.6 Å²	47.6	5%	0.054	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-41.5	176.9	-170.5	69.1	66.1	0	0	111.7	D516 L517 M588 A608 I609 L612 A633 I634 R635 S640 K641	D516-M637 WeakPolarHBondContact O-CE 3.22Å; L517-M637 HydrophobicContact CD2-CE 4Å; L517-M637 HydrophobicContact CD2-SD 4.13Å; M588-M637 HydrophobicContact SD-CG 4.17Å; A608-M637 HydrophobicContact CB-CE 3.92Å; I609-M637 HydrophobicContact CG1-CE 4.42Å; L612-M637 HydrophobicContact CD1-CE 4.14Å; A633-M637 PolarHBondContact O-N 3.49Å; A633-M637 VanDerWaalsContact O-N 3.16Å; I634-M637 WeakPolarHBondContact O-CB 3.47Å; I634-M637 PolarHBondContact O-N 2.98Å; R635-M637 VanDerWaalsContact C-N 3.32Å; R635-M637 PolarHBondContact O-N 3.31Å; M637-S640 PolarHBondContact O-N 2.59Å; M637-S640 PolarHBondContact O-OG 3.3Å; M637-K641 PolarHBondContact O-N 3.41Å
638	E	84.6	Confident	78.6	Confident	95 Å²	95	50.1 Å²	50.1	44%	0.444	25%	0.248	S	C	.	.	H	α-helix	trans	-66.4	-47.7	177.4	-170.7	173.9	-165.5	0	0	111.3	I634 R635 S640 K641 D642	I634-E638 PolarHBondContact O-N 2.95Å; R635-E638 PolarHBondContact O-N 2.89Å; E638-S640 PolarHBondContact O-N 2.94Å; E638-K641 CarbonylContact O-C 3.56Å; E638-K641 WeakPolarHBondContact O-CA 3.43Å; E638-K641 WeakPolarHBondContact O-CB 3.39Å; E638-K641 PolarHBondContact O-N 3.06Å; E638-D642 PolarHBondContact O-N 3.36Å
639	M	83.9	Confident	76.4	Confident	70 Å²	70	46.1 Å²	46.1	35%	0.345	24%	0.242	S	C	.	.	H	α-helix	trans	-58.2	-34.7	175.5	-70.2	-66.6	174.2	0	0	112.6	W519 R635 K641 S643	W519-M639 HydrophobicContact CH2-CB 3.76Å; W519-M639 HydrophobicContact CZ3-CB 4.21Å; R635-M639 HydrophobicContact CG-CE 4.49Å; R635-M639 HydrophobicContact CG-CG 4.44Å; R635-M639 WeakPolarHBondContact O-CB 3.39Å; R635-M639 WeakPolarHBondContact O-CG 3.49Å; R635-M639 PolarHBondContact O-N 3.19Å; M639-K641 VanDerWaalsContact C-N 3.29Å; M639-K641 PolarHBondContact O-N 3.23Å; M639-S643 WeakPolarHBondContact O-CB 3.02Å; M639-S643 PolarHBondContact O-N 3.24Å; M639-S643 VanDerWaalsContact O-N 3.1Å; M639-S643 PolarHBondContact O-OG 3.42Å
640	S	81.7	Confident	74.2	Confident	6 Å²	6	53.3 Å²	53.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-34.3	174	83	0	0	0	0	112.4	L636 M637 E638	L636-S640 WeakPolarHBondContact O-CB 3.45Å; L636-S640 PolarHBondContact O-N 3.29Å; L636-S640 VanDerWaalsContact O-N 3.11Å; M637-S640 PolarHBondContact O-N 2.59Å; M637-S640 PolarHBondContact O-OG 3.3Å; E638-S640 PolarHBondContact O-N 2.94Å
641	K	77.9	Confident	71.8	Confident	42 Å²	42	59 Å²	59	18%	0.183	31%	0.31	C	S	.	.	H	α-helix	trans	-78.8	-40.7	176.7	-68.8	175.7	175.3	-178.8	0	112.3	M637 E638 M639 S643 L644 L645	M637-K641 PolarHBondContact O-N 3.41Å; E638-K641 CarbonylContact O-C 3.56Å; E638-K641 WeakPolarHBondContact O-CA 3.43Å; E638-K641 WeakPolarHBondContact O-CB 3.39Å; E638-K641 PolarHBondContact O-N 3.06Å; M639-K641 VanDerWaalsContact C-N 3.29Å; M639-K641 PolarHBondContact O-N 3.23Å; K641-S643 PolarHBondContact O-N 2.94Å; K641-L644 WeakPolarHBondContact O-CA 3.38Å; K641-L644 VanDerWaalsContact O-CB 3.22Å; K641-L644 WeakPolarHBondContact O-CB 3.48Å; K641-L644 PolarHBondContact O-N 2.64Å; K641-L645 PolarHBondContact O-N 3.39Å
642	D	74.6	Confident	69.6	Low	75 Å²	75	59.9 Å²	59.9	40%	0.401	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-36.2	179	-78.5	-3.9	0	0	0	111.7	E638 L644 L645 G646	E638-D642 PolarHBondContact O-N 3.36Å; D642-L644 PolarHBondContact O-N 2.9Å; D642-L644 VanDerWaalsContact O-N 3.14Å; D642-L645 PolarHBondContact O-N 3.28Å; D642-G646 PolarHBondContact O-N 3.16Å
643	S	68.8	Low	67.5	Low	39 Å²	39	66.5 Å²	66.5	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-55.9	-28.9	171	-61.4	0	0	0	0	112.7	M639 K641	M639-S643 WeakPolarHBondContact O-CB 3.02Å; M639-S643 PolarHBondContact O-N 3.24Å; M639-S643 VanDerWaalsContact O-N 3.1Å; M639-S643 PolarHBondContact O-OG 3.42Å; K641-S643 PolarHBondContact O-N 2.94Å
644	L	64.1	Low	65.5	Low	25 Å²	25	72.9 Å²	72.9	13%	0.131	39%	0.39	C	S	.	.	H	α-helix	trans	-83.2	-41.6	179.2	-58.6	169.4	0	0	0	112.9	L501 L520 T599 K641 D642 G646	L501-L644 HydrophobicContact CD1-CD2 3.78Å; L501-L644 HydrophobicContact CD2-CD1 4.15Å; L501-L644 HydrophobicContact CD2-CD2 4.35Å; L520-L644 HydrophobicContact CB-CD2 3.46Å; L520-L644 VanDerWaalsContact CB-CD2 3.46Å; L520-L644 HydrophobicContact CB-CG 4.48Å; L520-L644 HydrophobicContact CD1-CD2 4.06Å; L520-L644 HydrophobicContact CD2-CD2 4.2Å; L520-L644 HydrophobicContact CG-CD2 4.11Å; T599-L644 WeakPolarHBondContact OG1-CD1 3.32Å; K641-L644 WeakPolarHBondContact O-CA 3.38Å; K641-L644 VanDerWaalsContact O-CB 3.22Å; K641-L644 WeakPolarHBondContact O-CB 3.48Å; K641-L644 PolarHBondContact O-N 2.64Å; D642-L644 PolarHBondContact O-N 2.9Å; D642-L644 VanDerWaalsContact O-N 3.14Å; L644-G646 PolarHBondContact O-N 3.28Å
645	L	63.8	Low	63.8	Low	70 Å²	70	78.2 Å²	78.2	37%	0.366	41%	0.414	S	S	.	.	H	α-helix	trans	-70	-20.5	-177.1	-76.4	156.8	0	0	0	111.6	K641 D642	K641-L645 PolarHBondContact O-N 3.39Å; D642-L645 PolarHBondContact O-N 3.28Å
646	G	55	Low	62.7	Low	13 Å²	13	81.8 Å²	81.8	13%	0.134	43%	0.427	C	S	.	.			trans	63.5	141.8	-168.5	0	0	0	0	0	109.2	D642 L644 K648	D642-G646 PolarHBondContact O-N 3.16Å; L644-G646 PolarHBondContact O-N 3.28Å; G646-K648 VanDerWaalsContact C-N 3.25Å; G646-K648 PolarHBondContact O-N 3.12Å
647	D	48.1	Very low	61.6	Low	88 Å²	88	84.7 Å²	84.7	47%	0.471	45%	0.446	S	S	.	.			trans	-52.1	86.9	-178.9	-165.9	8.3	0	0	0	113.2	G649 Q650	D647-G649 WeakPolarHBondContact OD1-CA 3.21Å; D647-G649 PolarHBondContact OD1-N 3.24Å; D647-Q650 PolarHBondContact OD1-N 3.24Å; D647-Q650 VanDerWaalsContact OD2-CG 3.25Å; D647-Q650 WeakPolarHBondContact OD2-CG 3.34Å
648	K	46	Very low	61	Low	163 Å²	163	84.5 Å²	84.5	71%	0.709	45%	0.447	S	S	*	.			trans	-86.1	7.6	159	-70.7	-176.1	-179.1	171.9	0	109.1	G646	G646-K648 VanDerWaalsContact C-N 3.25Å; G646-K648 PolarHBondContact O-N 3.12Å
649	G	44.3	Very low	60.5	Low	49 Å²	49	82.1 Å²	82.1	51%	0.505	44%	0.437	S	S	.	.	S	Bend	trans	-82.5	-31.2	175.8	0	0	0	0	0	112.8	D647 T651 A652	D647-G649 WeakPolarHBondContact OD1-CA 3.21Å; D647-G649 PolarHBondContact OD1-N 3.24Å; G649-T651 VanDerWaalsContact C-N 3.28Å; G649-T651 PolarHBondContact O-N 3.13Å; G649-T651 VanDerWaalsContact O-N 3.13Å; G649-A652 PolarHBondContact O-N 3.34Å
650	Q	44	Very low	60.1	Low	160 Å²	160	80 Å²	80	75%	0.748	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	52.9	174.6	-69.3	-169.3	25.3	0	0	114	D647	D647-Q650 PolarHBondContact OD1-N 3.24Å; D647-Q650 VanDerWaalsContact OD2-CG 3.25Å; D647-Q650 WeakPolarHBondContact OD2-CG 3.34Å
651	T	41.6	Very low	59.9	Low	118 Å²	118	79.8 Å²	79.8	72%	0.724	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.5	40.7	137.8	32.2	0	0	0	0	110.8	G649 R653	G649-T651 VanDerWaalsContact C-N 3.28Å; G649-T651 PolarHBondContact O-N 3.13Å; G649-T651 VanDerWaalsContact O-N 3.13Å; T651-R653 PolarHBondContact O-N 2.99Å
652	A	45.1	Very low	60	Low	86 Å²	86	79.9 Å²	79.9	71%	0.711	43%	0.427	S	S	*	.	S	Bend		-63.6	82.2	126.6	0	0	0	0	0	105.3	G649 T654	G649-A652 PolarHBondContact O-N 3.34Å; A652-T654 PolarHBondContact O-N 2.64Å
653	R	47.1	Very low	60.2	Low	178 Å²	178	77.8 Å²	77.8	67%	0.672	42%	0.419	S	S	*	.			trans	-38.7	122.8	160	-95.8	-179.1	171.1	-177.7	-0.5	103.8	T651 Q655 D659	T651-R653 PolarHBondContact O-N 2.99Å; R653-Q655 WeakPolarHBondContact O-CA 3.4Å; R653-Q655 PolarHBondContact O-N 3.31Å; R653-D659 IonicContact NH1-OD2 2.88Å
654	T	47.7	Very low	60.6	Low	135 Å²	135	76 Å²	76	83%	0.828	41%	0.407	S	S	*	.			trans	-46.8	101.9	161.9	-29.6	0	0	0	0	103.6	A652 R656	A652-T654 PolarHBondContact O-N 2.64Å; T654-R656 PolarHBondContact O-N 3.5Å
655	Q	56.3	Low	61.3	Low	138 Å²	138	74.8 Å²	74.8	65%	0.645	40%	0.401	S	S	*	.			trans	-61.7	112.7	-165.6	-78.1	-179.2	-9.2	0	0	103.2	R653 V660	R653-Q655 WeakPolarHBondContact O-CA 3.4Å; R653-Q655 PolarHBondContact O-N 3.31Å; Q655-V660 HydrophobicContact CB-CG2 3.56Å; Q655-V660 HydrophobicContact CG-CG2 4.47Å
656	R	66.2	Low	61.9	Low	157 Å²	157	78.9 Å²	78.9	59%	0.592	41%	0.411	S	S	*	.			trans	-55.1	140.2	179.1	-73.4	-175.3	176.3	-173.8	-0.1	105	T654 A658 D659 V660 E700	T654-R656 PolarHBondContact O-N 3.5Å; R656-A658 HydrophobicContact CB-CB 4.33Å; R656-A658 CarbonylContact O-C 3.49Å; R656-A658 PolarHBondContact O-N 3.21Å; R656-D659 PolarHBondContact O-N 2.97Å; R656-V660 PolarHBondContact O-N 3.45Å; R656-E700 IonicContact NH1-OE1 3.98Å
657	P	67.6	Low	63	Low	60 Å²	60	82.8 Å²	82.8	39%	0.39	43%	0.426	S	S	.	.	H	α-helix	trans	-46.5	-34.8	174.8	-29	34.8	0	0	0	111.5	V660 V661 F689	P657-V660 PolarHBondContact O-N 3.13Å; P657-V661 WeakPolarHBondContact O-CB 3.38Å; P657-V661 WeakPolarHBondContact O-CG2 3.48Å; P657-V661 PolarHBondContact O-N 3.24Å; P657-F689 HydrophobicContact CB-CD1 4.19Å; P657-F689 HydrophobicContact CB-CE1 3.9Å
658	A	72	Confident	64.3	Low	8 Å²	8	80.3 Å²	80.3	7%	0.066	41%	0.412	C	S	.	.	H	α-helix	trans	-56.5	-48.9	170.3	0	0	0	0	0	114.6	R656 V660 V661 F662 A697 Y701	R656-A658 HydrophobicContact CB-CB 4.33Å; R656-A658 CarbonylContact O-C 3.49Å; R656-A658 PolarHBondContact O-N 3.21Å; A658-V660 VanDerWaalsContact C-N 3.31Å; A658-V660 PolarHBondContact O-N 3.23Å; A658-V661 PolarHBondContact O-N 3.06Å; A658-F662 WeakPolarHBondContact O-CB 3.41Å; A658-F662 PolarHBondContact O-N 3.04Å; A658-A697 HydrophobicContact CB-CB 3.9Å; A658-Y701 HydrophobicContact CB-CE2 3.84Å; A658-Y701 WeakPolarHBondContact O-CE2 3.27Å; A658-Y701 PolarHBondContact O-OH 3.27Å
659	D	75.1	Confident	65.4	Low	44 Å²	44	74 Å²	74	24%	0.235	39%	0.387	C	S	.	.	H	α-helix	trans	-64.5	-35.1	179.8	-72.5	-31.9	0	0	0	111.9	R653 R656 A663 Y701	R653-D659 IonicContact NH1-OD2 2.88Å; R656-D659 PolarHBondContact O-N 2.97Å; D659-A663 WeakPolarHBondContact O-CB 3.32Å; D659-A663 PolarHBondContact O-N 3.49Å; D659-Y701 VanDerWaalsContact CA-OH 3.3Å; D659-Y701 WeakPolarHBondContact CA-OH 3.27Å; D659-Y701 PolarHBondContact N-OH 3.03Å; D659-Y701 PolarHBondContact OD1-OH 3.49Å
660	V	75.8	Confident	66.2	Low	26 Å²	26	77.1 Å²	77.1	16%	0.158	40%	0.402	C	S	.	.	H	α-helix	trans	-72.1	-42.1	176.3	-172.2	0	0	0	0	111.2	Q655 R656 P657 A658 F662 A663 T664 F689	Q655-V660 HydrophobicContact CB-CG2 3.56Å; Q655-V660 HydrophobicContact CG-CG2 4.47Å; R656-V660 PolarHBondContact O-N 3.45Å; P657-V660 PolarHBondContact O-N 3.13Å; A658-V660 VanDerWaalsContact C-N 3.31Å; A658-V660 PolarHBondContact O-N 3.23Å; V660-F662 VanDerWaalsContact C-N 3.33Å; V660-A663 PolarHBondContact O-N 2.98Å; V660-T664 WeakPolarHBondContact O-CB 3.4Å; V660-T664 PolarHBondContact O-N 3.17Å; V660-T664 PolarHBondContact O-OG1 3.02Å; V660-F689 HydrophobicContact CB-CE2 4.21Å; V660-F689 HydrophobicContact CB-CZ 3.84Å; V660-F689 HydrophobicContact CG1-CE2 3.73Å; V660-F689 HydrophobicContact CG1-CZ 3.73Å; V660-F689 HydrophobicContact CG2-CZ 4.36Å
661	V	77.3	Confident	67.1	Low	1 Å²	1	73.2 Å²	73.2	1%	0.006	41%	0.405	C	S	.	.	H	α-helix	trans	-61	-45.3	174	167.6	0	0	0	0	109.8	P657 A658 A663 T664 I665 F689 F694 A697	P657-V661 WeakPolarHBondContact O-CB 3.38Å; P657-V661 WeakPolarHBondContact O-CG2 3.48Å; P657-V661 PolarHBondContact O-N 3.24Å; A658-V661 PolarHBondContact O-N 3.06Å; V661-A663 PolarHBondContact O-N 3.1Å; V661-T664 PolarHBondContact O-N 2.73Å; V661-I665 HydrophobicContact CG1-CD1 3.72Å; V661-I665 HydrophobicContact CG1-CG1 4.41Å; V661-I665 VanDerWaalsContact O-CG1 3.29Å; V661-I665 WeakPolarHBondContact O-CG1 3.45Å; V661-I665 PolarHBondContact O-N 2.97Å; V661-F689 HydrophobicContact CG2-CD2 4.38Å; V661-F689 HydrophobicContact CG2-CG 4.37Å; V661-F694 HydrophobicContact CG1-CD2 3.63Å; V661-F694 HydrophobicContact CG1-CE2 4.02Å; V661-A697 HydrophobicContact CB-CB 4.19Å; V661-A697 HydrophobicContact CG1-CB 4.01Å
662	F	79.8	Confident	68.3	Low	45 Å²	45	69.4 Å²	69.4	20%	0.197	39%	0.389	C	S	.	.	H	α-helix	trans	-58.9	-47.4	174.8	179.4	-100	0	0	0	112.4	A658 V660 T664 I665 R666 Y701 V706 W707 F718	A658-F662 WeakPolarHBondContact O-CB 3.41Å; A658-F662 PolarHBondContact O-N 3.04Å; V660-F662 VanDerWaalsContact C-N 3.33Å; F662-T664 VanDerWaalsContact C-N 3.29Å; F662-T664 PolarHBondContact O-N 3.48Å; F662-I665 PolarHBondContact O-N 2.97Å; F662-R666 VanDerWaalsContact O-CB 3.27Å; F662-R666 WeakPolarHBondContact O-CB 3.45Å; F662-R666 PolarHBondContact O-N 2.9Å; F662-Y701 HydrophobicContact CB-CD2 4.34Å; F662-Y701 HydrophobicContact CB-CE1 4.5Å; F662-Y701 HydrophobicContact CB-CE2 3.68Å; F662-Y701 HydrophobicContact CD2-CD1 4.33Å; F662-Y701 HydrophobicContact CD2-CD2 4.38Å; F662-Y701 HydrophobicContact CD2-CE1 4.31Å; F662-Y701 HydrophobicContact CD2-CE2 4.39Å; F662-Y701 HydrophobicContact CD2-CG 4.38Å; F662-Y701 HydrophobicContact CG-CE1 4.38Å; F662-Y701 HydrophobicContact CG-CE2 4.33Å; F662-V706 HydrophobicContact CD2-CG1 4.5Å; F662-V706 HydrophobicContact CE2-CG1 3.49Å; F662-V706 VanDerWaalsContact CE2-CG1 3.49Å; F662-V706 HydrophobicContact CZ-CG1 3.99Å; F662-W707 HydrophobicContact CB-CH2 4.45Å; F662-W707 HydrophobicContact CD2-CE3 4.26Å; F662-W707 AromaticContact CD2-CH2 3.84Å; F662-W707 HydrophobicContact CD2-CH2 3.84Å; F662-W707 AromaticContact CD2-CZ3 3.49Å; F662-W707 HydrophobicContact CD2-CZ3 3.49Å; F662-W707 VanDerWaalsContact CD2-CZ3 3.49Å; F662-W707 HydrophobicContact CE2-CE3 4.4Å; F662-W707 HydrophobicContact CE2-CZ3 4.03Å; F662-F718 AromaticContact CE2-CE1 3.84Å; F662-F718 HydrophobicContact CE2-CE1 3.84Å; F662-F718 HydrophobicContact CZ-CE1 4.39Å
663	A	79.2	Confident	69.5	Low	30 Å²	30	74 Å²	74	25%	0.248	39%	0.388	C	S	.	.	H	α-helix	trans	-60.8	-38.9	176.6	0	0	0	0	0	112.2	D659 V660 V661 R666 E667	D659-A663 WeakPolarHBondContact O-CB 3.32Å; D659-A663 PolarHBondContact O-N 3.49Å; V660-A663 PolarHBondContact O-N 2.98Å; V661-A663 PolarHBondContact O-N 3.1Å; A663-R666 PolarHBondContact O-N 3.2Å; A663-E667 WeakPolarHBondContact O-CG 3.47Å; A663-E667 PolarHBondContact O-N 2.91Å
664	T	77.3	Confident	70.8	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-68.4	-41.2	178.7	-52.5	0	0	0	0	111.7	V660 V661 F662 E667 L668 R683 R687	V660-T664 WeakPolarHBondContact O-CB 3.4Å; V660-T664 PolarHBondContact O-N 3.17Å; V660-T664 PolarHBondContact O-OG1 3.02Å; V661-T664 PolarHBondContact O-N 2.73Å; F662-T664 VanDerWaalsContact C-N 3.29Å; F662-T664 PolarHBondContact O-N 3.48Å; T664-E667 PolarHBondContact O-N 3.16Å; T664-L668 PolarHBondContact O-N 3.28Å; T664-R683 HydrophobicContact CG2-CG 4.14Å; T664-R687 PolarHBondContact OG1-NH1 2.96Å; T664-R687 VanDerWaalsContact OG1-NH1 3.1Å
665	I	77.6	Confident	72.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.4	-38.8	174.3	-61.1	165.1	0	0	0	109.8	V661 F662 E667 L668 V669 A680 F694 L698 W707 F718	V661-I665 HydrophobicContact CG1-CD1 3.72Å; V661-I665 HydrophobicContact CG1-CG1 4.41Å; V661-I665 VanDerWaalsContact O-CG1 3.29Å; V661-I665 WeakPolarHBondContact O-CG1 3.45Å; V661-I665 PolarHBondContact O-N 2.97Å; F662-I665 PolarHBondContact O-N 2.97Å; I665-E667 VanDerWaalsContact C-N 3.33Å; I665-E667 PolarHBondContact O-N 3.43Å; I665-L668 WeakPolarHBondContact O-CB 3.38Å; I665-L668 PolarHBondContact O-N 2.81Å; I665-L668 VanDerWaalsContact O-N 3.07Å; I665-V669 HydrophobicContact CG2-CG2 4.44Å; I665-V669 WeakPolarHBondContact O-CG2 3.44Å; I665-V669 PolarHBondContact O-N 3.36Å; I665-A680 HydrophobicContact CG1-CB 4.41Å; I665-F694 HydrophobicContact CD1-CE2 3.88Å; I665-F694 HydrophobicContact CG1-CE2 4.39Å; I665-L698 HydrophobicContact CD1-CD2 4.43Å; I665-W707 HydrophobicContact CB-CZ3 4.09Å; I665-W707 HydrophobicContact CD1-CH2 3.46Å; I665-W707 VanDerWaalsContact CD1-CH2 3.46Å; I665-W707 HydrophobicContact CD1-CZ2 4.28Å; I665-W707 HydrophobicContact CD1-CZ3 3.62Å; I665-W707 HydrophobicContact CG1-CZ3 4.49Å; I665-W707 HydrophobicContact CG2-CE3 4.37Å; I665-W707 HydrophobicContact CG2-CZ3 3.99Å; I665-F718 HydrophobicContact CB-CZ 4.43Å; I665-F718 HydrophobicContact CG2-CE2 3.61Å; I665-F718 HydrophobicContact CG2-CZ 3.61Å
666	R	77.6	Confident	73.4	Confident	156 Å²	156	62.7 Å²	62.7	59%	0.589	33%	0.331	S	S	*	.	H	α-helix	trans	-62.8	-36.7	175.8	-169.9	-179.9	70.1	170	0.9	112.6	F662 A663 L668 V669	F662-R666 VanDerWaalsContact O-CB 3.27Å; F662-R666 WeakPolarHBondContact O-CB 3.45Å; F662-R666 PolarHBondContact O-N 2.9Å; A663-R666 PolarHBondContact O-N 3.2Å; R666-L668 VanDerWaalsContact C-N 3.29Å; R666-L668 PolarHBondContact O-N 3.28Å; R666-V669 PolarHBondContact O-N 3.38Å
667	E	78.4	Confident	74.1	Confident	96 Å²	96	56.7 Å²	56.7	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-34.1	172	-79.1	176.2	-176	0	0	112.3	A663 T664 I665 V669 S670 R687	A663-E667 WeakPolarHBondContact O-CG 3.47Å; A663-E667 PolarHBondContact O-N 2.91Å; T664-E667 PolarHBondContact O-N 3.16Å; I665-E667 VanDerWaalsContact C-N 3.33Å; I665-E667 PolarHBondContact O-N 3.43Å; E667-V669 VanDerWaalsContact C-N 3.3Å; E667-S670 PolarHBondContact O-OG 3.48Å; E667-R687 IonicContact OE1-NH2 3.08Å; E667-R687 IonicContact OE2-CZ 3.83Å; E667-R687 IonicContact OE2-NH1 3.54Å; E667-R687 IonicContact OE2-NH2 3.71Å; E667-R687 PolarHBondContact OE2-NH2 3.17Å
668	L	73.5	Confident	74.7	Confident	35 Å²	35	56.9 Å²	56.9	18%	0.183	31%	0.312	C	S	.	.	H	α-helix	trans	-70.9	-26	175.3	-76.8	164	0	0	0	113	T664 I665 R666 S670 V675 A680 R683	T664-L668 PolarHBondContact O-N 3.28Å; I665-L668 WeakPolarHBondContact O-CB 3.38Å; I665-L668 PolarHBondContact O-N 2.81Å; I665-L668 VanDerWaalsContact O-N 3.07Å; R666-L668 VanDerWaalsContact C-N 3.29Å; R666-L668 PolarHBondContact O-N 3.28Å; L668-S670 VanDerWaalsContact C-N 3.31Å; L668-S670 PolarHBondContact O-N 2.94Å; L668-V675 HydrophobicContact CB-CG1 4.34Å; L668-V675 HydrophobicContact CB-CG2 4.14Å; L668-V675 HydrophobicContact CD1-CG1 4.29Å; L668-A680 HydrophobicContact CD1-CB 4.46Å; L668-R683 HydrophobicContact CD1-CB 4.35Å
669	V	70.8	Confident	75	Confident	30 Å²	30	61.3 Å²	61.3	18%	0.182	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-82.5	-7.7	-175.8	173.1	0	0	0	0	112.3	I665 R666 E667 G671 G672 V675 F718	I665-V669 HydrophobicContact CG2-CG2 4.44Å; I665-V669 WeakPolarHBondContact O-CG2 3.44Å; I665-V669 PolarHBondContact O-N 3.36Å; R666-V669 PolarHBondContact O-N 3.38Å; E667-V669 VanDerWaalsContact C-N 3.3Å; V669-G671 PolarHBondContact O-N 2.95Å; V669-G672 VanDerWaalsContact CG1-O 3.31Å; V669-G672 WeakPolarHBondContact CG1-O 3.43Å; V669-G672 PolarHBondContact O-N 3.16Å; V669-V675 HydrophobicContact CG2-CG2 3.51Å; V669-F718 HydrophobicContact CB-CE2 4.32Å; V669-F718 HydrophobicContact CG1-CD2 4.13Å; V669-F718 HydrophobicContact CG1-CE2 4.41Å; V669-F718 HydrophobicContact CG1-CG 4.48Å; V669-F718 HydrophobicContact CG2-CD2 3.53Å; V669-F718 HydrophobicContact CG2-CE2 3.11Å; V669-F718 HydrophobicContact CG2-CG 4.5Å; V669-F718 HydrophobicContact CG2-CZ 3.76Å
670	S	61.2	Low	75.1	Confident	115 Å²	115	59.2 Å²	59.2	80%	0.804	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-58.8	-9.1	-175.8	77.6	0	0	0	0	114.5	E667 L668	E667-S670 PolarHBondContact O-OG 3.48Å; L668-S670 VanDerWaalsContact C-N 3.31Å; L668-S670 PolarHBondContact O-N 2.94Å
671	G	63.3	Low	75.4	Confident	79 Å²	79	60.5 Å²	60.5	81%	0.814	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-119.9	3.5	173	0	0	0	0	0	116.9	V669	V669-G671 PolarHBondContact O-N 2.95Å
672	G	66.1	Low	75.6	Confident	38 Å²	38	66.9 Å²	66.9	39%	0.392	35%	0.354	S	S	.	.			trans	178.9	157.6	179.7	0	0	0	0	0	115.9	V669 S674	V669-G672 VanDerWaalsContact CG1-O 3.31Å; V669-G672 WeakPolarHBondContact CG1-O 3.43Å; V669-G672 PolarHBondContact O-N 3.16Å; G672-S674 VanDerWaalsContact C-N 3.26Å; G672-S674 PolarHBondContact O-N 3.09Å
673	R	69.9	Low	75.5	Confident	181 Å²	181	69.5 Å²	69.5	68%	0.683	36%	0.363	S	S	*	.	S	Bend	trans	-75.9	-3.2	-173.2	-147.6	172	-177.9	164.1	-0	115.1	F718 V719	R673-F718 PolarHBondContact O-N 2.95Å; R673-F718 VanDerWaalsContact O-N 3.08Å; R673-V719 PolarHBondContact NH2-OXT 2.91Å
674	S	74.6	Confident	75.4	Confident	39 Å²	39	68.2 Å²	68.2	27%	0.273	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.2	-177.7	74.7	0	0	0	0	111.8	G672 R715 I716	G672-S674 VanDerWaalsContact C-N 3.26Å; G672-S674 PolarHBondContact O-N 3.09Å; S674-R715 PolarHBondContact OG-NH2 3.08Å; S674-I716 CarbonylContact C-O 3.58Å; S674-I716 VanDerWaalsContact CA-O 3.28Å; S674-I716 WeakPolarHBondContact CA-O 3.31Å
675	V	79	Confident	75.6	Confident	9 Å²	9	72.6 Å²	72.6	6%	0.055	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.8	174.9	-178.4	0	0	0	0	109.7	L668 V669 A680 R715 I716	L668-V675 HydrophobicContact CB-CG1 4.34Å; L668-V675 HydrophobicContact CB-CG2 4.14Å; L668-V675 HydrophobicContact CD1-CG1 4.29Å; V669-V675 HydrophobicContact CG2-CG2 3.51Å; V675-A680 HydrophobicContact CG1-CB 4.1Å; V675-R715 WeakPolarHBondContact O-CA 3.11Å; V675-I716 PolarHBondContact N-O 3.3Å; V675-I716 PolarHBondContact O-N 2.77Å
676	R	79.5	Confident	75.7	Confident	166 Å²	166	76.9 Å²	76.9	63%	0.626	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.8	173.1	-70.4	-178.6	178.4	177.2	0.5	109.6	S678 E679 A680	R676-S678 VanDerWaalsContact C-N 3.3Å; R676-S678 PolarHBondContact O-N 3.14Å; R676-E679 HydrophobicContact CB-CB 4.27Å; R676-E679 PolarHBondContact O-N 3.31Å; R676-E679 VanDerWaalsContact O-N 3.12Å; R676-A680 PolarHBondContact O-N 3.01Å
677	F	81.5	Confident	75.6	Confident	31 Å²	31	74.9 Å²	74.9	14%	0.136	40%	0.397	C	S	.	.	H	α-helix	trans	-56.1	-43.7	-177.1	-177.6	-87.5	0	0	0	112.4	E679 A680 E681 F694 L698 R713 T714 I716	F677-E679 VanDerWaalsContact C-N 3.29Å; F677-E679 PolarHBondContact O-N 2.89Å; F677-A680 PolarHBondContact O-N 3.02Å; F677-E681 WeakPolarHBondContact CE1-OE2 3.26Å; F677-E681 WeakPolarHBondContact O-CB 3.38Å; F677-E681 PolarHBondContact O-N 2.9Å; F677-F694 AromaticContact CE2-CE1 3.95Å; F677-F694 HydrophobicContact CE2-CE1 3.95Å; F677-F694 AromaticContact CZ-CE1 3.97Å; F677-F694 HydrophobicContact CZ-CE1 3.97Å; F677-L698 HydrophobicContact CD2-CD1 4.3Å; F677-L698 HydrophobicContact CE2-CD1 3.58Å; F677-L698 HydrophobicContact CZ-CD1 4.41Å; F677-R713 WeakPolarHBondContact CB-O 3.29Å; F677-R713 VanDerWaalsContact CG-O 3.27Å; F677-R713 WeakPolarHBondContact CG-O 3.28Å; F677-T714 PolarHBondContact N-O 3.25Å; F677-T714 VanDerWaalsContact N-O 3.15Å; F677-I716 HydrophobicContact CD2-CD1 4.2Å; F677-I716 HydrophobicContact CD2-CG1 4.33Å
678	S	78.8	Confident	75.5	Confident	65 Å²	65	73.5 Å²	73.5	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-62.4	-32.2	179.8	59.1	0	0	0	0	113.9	R676 Q682	R676-S678 VanDerWaalsContact C-N 3.3Å; R676-S678 PolarHBondContact O-N 3.14Å; S678-Q682 WeakPolarHBondContact O-CB 3.28Å; S678-Q682 WeakPolarHBondContact O-CG 3.35Å; S678-Q682 PolarHBondContact O-N 2.75Å; S678-Q682 VanDerWaalsContact O-N 3.13Å
679	E	79.8	Confident	75.9	Confident	100 Å²	100	73.9 Å²	73.9	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-79.8	-37.7	-178.6	-170	174.7	179.3	0	0	111.2	R676 F677 R683	R676-E679 HydrophobicContact CB-CB 4.27Å; R676-E679 PolarHBondContact O-N 3.31Å; R676-E679 VanDerWaalsContact O-N 3.12Å; F677-E679 VanDerWaalsContact C-N 3.29Å; F677-E679 PolarHBondContact O-N 2.89Å; E679-R683 WeakPolarHBondContact O-CB 3.43Å; E679-R683 PolarHBondContact O-N 3.35Å
680	A	77.3	Confident	76.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-64.6	-43	172.1	0	0	0	0	0	111.6	I665 L668 V675 R676 F677 R683 C684 F694 I716	I665-A680 HydrophobicContact CG1-CB 4.41Å; L668-A680 HydrophobicContact CD1-CB 4.46Å; V675-A680 HydrophobicContact CG1-CB 4.1Å; R676-A680 PolarHBondContact O-N 3.01Å; F677-A680 PolarHBondContact O-N 3.02Å; A680-R683 PolarHBondContact O-N 3.43Å; A680-C684 PolarHBondContact O-N 3.29Å; A680-C684 PolarHBondContact O-SG 3.22Å; A680-F694 HydrophobicContact CB-CE2 4.22Å; A680-F694 HydrophobicContact CB-CZ 3.83Å; A680-I716 HydrophobicContact CB-CD1 4.12Å
681	E	81.4	Confident	77.2	Confident	53 Å²	53	73.3 Å²	73.3	25%	0.248	40%	0.402	C	S	.	.	H	α-helix	trans	-63.7	-48	178.4	-173.8	175	-157.2	0	0	111.7	F677 R683 C684 I685 F694	F677-E681 WeakPolarHBondContact CE1-OE2 3.26Å; F677-E681 WeakPolarHBondContact O-CB 3.38Å; F677-E681 PolarHBondContact O-N 2.9Å; E681-R683 VanDerWaalsContact C-N 3.31Å; E681-R683 PolarHBondContact O-N 3.45Å; E681-C684 PolarHBondContact O-N 3.1Å; E681-I685 HydrophobicContact CG-CD1 4.07Å; E681-I685 VanDerWaalsContact O-CG1 3.31Å; E681-I685 WeakPolarHBondContact O-CG1 3.3Å; E681-I685 PolarHBondContact O-N 3.46Å; E681-F694 HydrophobicContact CB-CD1 4.48Å; E681-F694 HydrophobicContact CB-CE1 4.06Å; E681-F694 HydrophobicContact CB-CZ 4.48Å; E681-F694 HydrophobicContact CG-CD1 4.46Å; E681-F694 HydrophobicContact CG-CE1 4.49Å
682	Q	81.4	Confident	78	Confident	136 Å²	136	72.4 Å²	72.4	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-59.9	-39.2	177.5	-76.5	175.1	1.4	0	0	112.7	S678 I685 S686	S678-Q682 WeakPolarHBondContact O-CB 3.28Å; S678-Q682 WeakPolarHBondContact O-CG 3.35Å; S678-Q682 PolarHBondContact O-N 2.75Å; S678-Q682 VanDerWaalsContact O-N 3.13Å; Q682-I685 PolarHBondContact O-N 3.37Å; Q682-S686 PolarHBondContact O-N 3.16Å
683	R	77.9	Confident	78.7	Confident	100 Å²	100	74.7 Å²	74.7	38%	0.377	39%	0.387	S	S	.	.	H	α-helix	trans	-72.7	-33.7	179.8	-157.2	166.7	-169.7	-177.2	-1.8	112.2	T664 L668 E679 A680 E681 S686 R687	T664-R683 HydrophobicContact CG2-CG 4.14Å; L668-R683 HydrophobicContact CD1-CB 4.35Å; E679-R683 WeakPolarHBondContact O-CB 3.43Å; E679-R683 PolarHBondContact O-N 3.35Å; A680-R683 PolarHBondContact O-N 3.43Å; E681-R683 VanDerWaalsContact C-N 3.31Å; E681-R683 PolarHBondContact O-N 3.45Å; R683-S686 WeakPolarHBondContact CA-OG 3.36Å; R683-S686 PolarHBondContact O-N 3.23Å; R683-S686 PolarHBondContact O-OG 3.48Å; R683-R687 PolarHBondContact O-N 3.25Å
684	C	77.3	Confident	79.3	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.02	36%	0.355	C	S	.	.	H	α-helix	trans	-69	-38	174	-65.9	0	0	0	0	111.9	A680 E681 S686 R687 G688 F689 F694	A680-C684 PolarHBondContact O-N 3.29Å; A680-C684 PolarHBondContact O-SG 3.22Å; E681-C684 PolarHBondContact O-N 3.1Å; C684-S686 VanDerWaalsContact C-N 3.33Å; C684-S686 PolarHBondContact O-N 3.13Å; C684-R687 PolarHBondContact O-N 3.37Å; C684-G688 PolarHBondContact O-N 3.42Å; C684-F689 PolarHBondContact O-N 2.93Å; C684-F689 VanDerWaalsContact O-N 3.13Å; C684-F694 HydrophobicContact CB-CD2 3.8Å; C684-F694 HydrophobicContact CB-CE2 4.28Å; C684-F694 HydrophobicContact CB-CG 4.46Å; C684-F694 WeakPolarHBondContact SG-CD2 3.1Å; C684-F694 VanDerWaalsContact SG-CE2 3.51Å
685	I	80.3	Confident	79.6	Confident	92 Å²	92	68.1 Å²	68.1	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-40.8	171.7	-65.6	165.3	0	0	0	110.4	E681 Q682 R687 G688	E681-I685 HydrophobicContact CG-CD1 4.07Å; E681-I685 VanDerWaalsContact O-CG1 3.31Å; E681-I685 WeakPolarHBondContact O-CG1 3.3Å; E681-I685 PolarHBondContact O-N 3.46Å; Q682-I685 PolarHBondContact O-N 3.37Å; I685-R687 PolarHBondContact O-N 3.3Å; I685-G688 PolarHBondContact O-N 3.43Å
686	S	79.8	Confident	79.7	Confident	91 Å²	91	72.2 Å²	72.2	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-62.2	-27.5	177.4	79.6	0	0	0	0	113.8	Q682 R683 C684 G688	Q682-S686 PolarHBondContact O-N 3.16Å; R683-S686 WeakPolarHBondContact CA-OG 3.36Å; R683-S686 PolarHBondContact O-N 3.23Å; R683-S686 PolarHBondContact O-OG 3.48Å; C684-S686 VanDerWaalsContact C-N 3.33Å; C684-S686 PolarHBondContact O-N 3.13Å; S686-G688 VanDerWaalsContact C-N 3.32Å
687	R	76.6	Confident	79.7	Confident	114 Å²	114	64.4 Å²	64.4	43%	0.43	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.5	174	-72.1	-161.2	173.7	177.7	3.2	113.4	T664 E667 R683 C684 I685 F689	T664-R687 PolarHBondContact OG1-NH1 2.96Å; T664-R687 VanDerWaalsContact OG1-NH1 3.1Å; E667-R687 IonicContact OE1-NH2 3.08Å; E667-R687 IonicContact OE2-CZ 3.83Å; E667-R687 IonicContact OE2-NH1 3.54Å; E667-R687 IonicContact OE2-NH2 3.71Å; E667-R687 PolarHBondContact OE2-NH2 3.17Å; R683-R687 PolarHBondContact O-N 3.25Å; C684-R687 PolarHBondContact O-N 3.37Å; I685-R687 PolarHBondContact O-N 3.3Å; R687-F689 HydrophobicContact CB-CD2 4.15Å; R687-F689 HydrophobicContact CB-CE2 4.2Å
688	G	76.6	Confident	79.7	Confident	66 Å²	66	63.2 Å²	63.2	68%	0.68	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	12.2	172.1	0	0	0	0	0	115.8	C684 I685 S686	C684-G688 PolarHBondContact O-N 3.42Å; I685-G688 PolarHBondContact O-N 3.43Å; S686-G688 VanDerWaalsContact C-N 3.32Å
689	F	80.3	Confident	79.8	Confident	43 Å²	43	63.6 Å²	63.6	19%	0.189	35%	0.347	C	S	.	.			trans	-88.7	145.7	177.6	-64.7	-76.8	0	0	0	112.3	P657 V660 V661 C684 R687	P657-F689 HydrophobicContact CB-CD1 4.19Å; P657-F689 HydrophobicContact CB-CE1 3.9Å; V660-F689 HydrophobicContact CB-CE2 4.21Å; V660-F689 HydrophobicContact CB-CZ 3.84Å; V660-F689 HydrophobicContact CG1-CE2 3.73Å; V660-F689 HydrophobicContact CG1-CZ 3.73Å; V660-F689 HydrophobicContact CG2-CZ 4.36Å; V661-F689 HydrophobicContact CG2-CD2 4.38Å; V661-F689 HydrophobicContact CG2-CG 4.37Å; C684-F689 PolarHBondContact O-N 2.93Å; C684-F689 VanDerWaalsContact O-N 3.13Å; R687-F689 HydrophobicContact CB-CD2 4.15Å; R687-F689 HydrophobicContact CB-CE2 4.2Å
690	T	82	Confident	79.9	Confident	69 Å²	69	62 Å²	62	42%	0.423	34%	0.34	S	S	.	.			trans	-76.5	150.9	176.1	60.3	0	0	0	0	111.4	A692 Q693 F694	T690-A692 PolarHBondContact O-N 3.19Å; T690-Q693 PolarHBondContact O-N 3.29Å; T690-Q693 VanDerWaalsContact O-N 3.11Å; T690-Q693 VanDerWaalsContact OG1-CD 3.3Å; T690-Q693 VanDerWaalsContact OG1-CG 3.27Å; T690-Q693 WeakPolarHBondContact OG1-CG 3.47Å; T690-Q693 PolarHBondContact OG1-N 2.96Å; T690-Q693 PolarHBondContact OG1-OE1 3.33Å; T690-F694 PolarHBondContact O-N 3.15Å; T690-F694 VanDerWaalsContact O-N 3.15Å
691	P	78.1	Confident	80.1	Confident	65 Å²	65	63 Å²	63	42%	0.422	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-28.1	177.7	23	-33	0	0	0	112.7	F694 Q695	P691-F694 PolarHBondContact O-N 3.32Å; P691-Q695 WeakPolarHBondContact O-CG 3.21Å; P691-Q695 PolarHBondContact O-N 3.45Å; P691-Q695 VanDerWaalsContact O-N 3.08Å
692	A	79.7	Confident	80	Confident	60 Å²	60	63.9 Å²	63.9	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-67.4	-42.9	174.7	0	0	0	0	0	112.5	T690 F694 Q695 V696	T690-A692 PolarHBondContact O-N 3.19Å; A692-F694 VanDerWaalsContact C-N 3.3Å; A692-F694 PolarHBondContact O-N 3.45Å; A692-Q695 PolarHBondContact O-N 3.06Å; A692-V696 WeakPolarHBondContact O-CG2 3.47Å; A692-V696 PolarHBondContact O-N 3.3Å
693	Q	81	Confident	79.9	Confident	85 Å²	85	65.2 Å²	65.2	40%	0.397	35%	0.354	S	S	.	.	H	α-helix	trans	-66.3	-34.2	176.4	-73.9	167.7	-21.3	0	0	112.1	T690 A697	T690-Q693 PolarHBondContact O-N 3.29Å; T690-Q693 VanDerWaalsContact O-N 3.11Å; T690-Q693 VanDerWaalsContact OG1-CD 3.3Å; T690-Q693 VanDerWaalsContact OG1-CG 3.27Å; T690-Q693 WeakPolarHBondContact OG1-CG 3.47Å; T690-Q693 PolarHBondContact OG1-N 2.96Å; T690-Q693 PolarHBondContact OG1-OE1 3.33Å; Q693-A697 WeakPolarHBondContact O-CB 3.28Å; Q693-A697 PolarHBondContact O-N 3.12Å
694	F	81.9	Confident	80.1	Confident	3 Å²	3	65.7 Å²	65.7	1%	0.013	36%	0.364	C	S	.	.	H	α-helix	trans	-65.2	-42.7	174	177.5	-105.8	0	0	0	112.3	V661 I665 F677 A680 E681 C684 T690 P691 A692 A697 L698 I716	V661-F694 HydrophobicContact CG1-CD2 3.63Å; V661-F694 HydrophobicContact CG1-CE2 4.02Å; I665-F694 HydrophobicContact CD1-CE2 3.88Å; I665-F694 HydrophobicContact CG1-CE2 4.39Å; F677-F694 AromaticContact CE2-CE1 3.95Å; F677-F694 HydrophobicContact CE2-CE1 3.95Å; F677-F694 AromaticContact CZ-CE1 3.97Å; F677-F694 HydrophobicContact CZ-CE1 3.97Å; A680-F694 HydrophobicContact CB-CE2 4.22Å; A680-F694 HydrophobicContact CB-CZ 3.83Å; E681-F694 HydrophobicContact CB-CD1 4.48Å; E681-F694 HydrophobicContact CB-CE1 4.06Å; E681-F694 HydrophobicContact CB-CZ 4.48Å; E681-F694 HydrophobicContact CG-CD1 4.46Å; E681-F694 HydrophobicContact CG-CE1 4.49Å; C684-F694 HydrophobicContact CB-CD2 3.8Å; C684-F694 HydrophobicContact CB-CE2 4.28Å; C684-F694 HydrophobicContact CB-CG 4.46Å; C684-F694 WeakPolarHBondContact SG-CD2 3.1Å; C684-F694 VanDerWaalsContact SG-CE2 3.51Å; T690-F694 PolarHBondContact O-N 3.15Å; T690-F694 VanDerWaalsContact O-N 3.15Å; P691-F694 PolarHBondContact O-N 3.32Å; A692-F694 VanDerWaalsContact C-N 3.3Å; A692-F694 PolarHBondContact O-N 3.45Å; F694-A697 PolarHBondContact O-N 2.88Å; F694-L698 HydrophobicContact CD1-CD1 3.82Å; F694-L698 HydrophobicContact CE1-CD1 3.34Å; F694-L698 HydrophobicContact CE1-CG 4.27Å; F694-L698 HydrophobicContact CE2-CD1 4.42Å; F694-L698 HydrophobicContact CZ-CD1 3.68Å; F694-L698 HydrophobicContact CZ-CG 4.24Å; F694-L698 WeakPolarHBondContact O-CG 3.13Å; F694-L698 PolarHBondContact O-N 3.13Å; F694-I716 HydrophobicContact CZ-CD1 4.41Å
695	Q	80.6	Confident	80	Confident	80 Å²	80	71 Å²	71	37%	0.374	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-45.2	176.9	-73	175.8	8.2	0	0	112.3	P691 A692 A697 L698 D699	P691-Q695 WeakPolarHBondContact O-CG 3.21Å; P691-Q695 PolarHBondContact O-N 3.45Å; P691-Q695 VanDerWaalsContact O-N 3.08Å; A692-Q695 PolarHBondContact O-N 3.06Å; Q695-A697 VanDerWaalsContact C-N 3.28Å; Q695-A697 PolarHBondContact O-N 3.38Å; Q695-L698 WeakPolarHBondContact O-CB 3.46Å; Q695-L698 PolarHBondContact O-N 2.76Å; Q695-L698 VanDerWaalsContact O-N 3.1Å; Q695-D699 PolarHBondContact O-N 3.35Å
696	V	82.5	Confident	79.8	Confident	94 Å²	94	68.9 Å²	68.9	57%	0.57	38%	0.383	S	S	*	.	H	α-helix	trans	-60	-40.2	176.2	172.3	0	0	0	0	111.3	A692 D699 E700	A692-V696 WeakPolarHBondContact O-CG2 3.47Å; A692-V696 PolarHBondContact O-N 3.3Å; V696-D699 PolarHBondContact O-N 2.82Å; V696-E700 WeakPolarHBondContact O-CB 3.44Å; V696-E700 PolarHBondContact O-N 3.33Å
697	A	79.8	Confident	79.8	Confident	2 Å²	2	64.5 Å²	64.5	2%	0.017	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-41.6	174.9	0	0	0	0	0	112.1	A658 V661 Q693 F694 Q695 E700 Y701	A658-A697 HydrophobicContact CB-CB 3.9Å; V661-A697 HydrophobicContact CB-CB 4.19Å; V661-A697 HydrophobicContact CG1-CB 4.01Å; Q693-A697 WeakPolarHBondContact O-CB 3.28Å; Q693-A697 PolarHBondContact O-N 3.12Å; F694-A697 PolarHBondContact O-N 2.88Å; Q695-A697 VanDerWaalsContact C-N 3.28Å; Q695-A697 PolarHBondContact O-N 3.38Å; A697-E700 PolarHBondContact O-N 2.94Å; A697-Y701 WeakPolarHBondContact O-CD2 3.29Å; A697-Y701 PolarHBondContact O-N 3.06Å; A697-Y701 VanDerWaalsContact O-N 3.1Å
698	L	80.8	Confident	79.9	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-46.9	175.6	-79.8	170.9	0	0	0	112.1	I665 F677 F694 Q695 Y701 E702 W707 I716	I665-L698 HydrophobicContact CD1-CD2 4.43Å; F677-L698 HydrophobicContact CD2-CD1 4.3Å; F677-L698 HydrophobicContact CE2-CD1 3.58Å; F677-L698 HydrophobicContact CZ-CD1 4.41Å; F694-L698 HydrophobicContact CD1-CD1 3.82Å; F694-L698 HydrophobicContact CE1-CD1 3.34Å; F694-L698 HydrophobicContact CE1-CG 4.27Å; F694-L698 HydrophobicContact CE2-CD1 4.42Å; F694-L698 HydrophobicContact CZ-CD1 3.68Å; F694-L698 HydrophobicContact CZ-CG 4.24Å; F694-L698 WeakPolarHBondContact O-CG 3.13Å; F694-L698 PolarHBondContact O-N 3.13Å; Q695-L698 WeakPolarHBondContact O-CB 3.46Å; Q695-L698 PolarHBondContact O-N 2.76Å; Q695-L698 VanDerWaalsContact O-N 3.1Å; L698-Y701 PolarHBondContact O-N 3.21Å; L698-E702 VanDerWaalsContact O-CB 3.28Å; L698-E702 WeakPolarHBondContact O-CB 3.49Å; L698-E702 PolarHBondContact O-N 2.91Å; L698-W707 HydrophobicContact CD2-CD2 4.38Å; L698-W707 HydrophobicContact CD2-CH2 4.36Å; L698-W707 HydrophobicContact CD2-CZ2 3.62Å; L698-W707 HydrophobicContact CG-CZ2 4.37Å; L698-W707 PolarHBondContact O-NE1 3.24Å; L698-I716 HydrophobicContact CD1-CD1 4.46Å; L698-I716 HydrophobicContact CD2-CD1 3.73Å; L698-I716 HydrophobicContact CD2-CG1 4.22Å
699	D	81.2	Confident	79.8	Confident	74 Å²	74	62.3 Å²	62.3	40%	0.396	33%	0.331	S	S	.	.	H	α-helix	trans	-64.9	-44.3	179.7	-64.1	-20.3	0	0	0	110.8	Q695 V696 Y701 E702 E703	Q695-D699 PolarHBondContact O-N 3.35Å; V696-D699 PolarHBondContact O-N 2.82Å; D699-Y701 VanDerWaalsContact C-N 3.34Å; D699-Y701 PolarHBondContact O-N 2.96Å; D699-E702 PolarHBondContact O-N 3.49Å; D699-E703 WeakPolarHBondContact O-CG 3.43Å; D699-E703 PolarHBondContact O-N 3.44Å
700	E	82.4	Confident	79.7	Confident	66 Å²	66	64 Å²	64	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-41	178.1	-171.2	177.4	-176.4	0	0	112	R656 V696 A697 L704	R656-E700 IonicContact NH1-OE1 3.98Å; V696-E700 WeakPolarHBondContact O-CB 3.44Å; V696-E700 PolarHBondContact O-N 3.33Å; A697-E700 PolarHBondContact O-N 2.94Å; E700-L704 VanDerWaalsContact O-CG 3.28Å; E700-L704 WeakPolarHBondContact O-CG 3.45Å; E700-L704 PolarHBondContact O-N 3.31Å; E700-L704 WeakPolarHBondContact O-CD1 3.35Å
701	Y	80.8	Confident	79	Confident	21 Å²	21	66.3 Å²	66.3	8%	0.082	37%	0.368	C	S	.	.	H	α-helix	trans	-83.7	-19.5	178	-71.6	-66.3	0	0	0	114.3	A658 D659 F662 A697 L698 D699 L704 N705 V706 W707	A658-Y701 HydrophobicContact CB-CE2 3.84Å; A658-Y701 WeakPolarHBondContact O-CE2 3.27Å; A658-Y701 PolarHBondContact O-OH 3.27Å; D659-Y701 VanDerWaalsContact CA-OH 3.3Å; D659-Y701 WeakPolarHBondContact CA-OH 3.27Å; D659-Y701 PolarHBondContact N-OH 3.03Å; D659-Y701 PolarHBondContact OD1-OH 3.49Å; F662-Y701 HydrophobicContact CB-CD2 4.34Å; F662-Y701 HydrophobicContact CB-CE1 4.5Å; F662-Y701 HydrophobicContact CB-CE2 3.68Å; F662-Y701 HydrophobicContact CD2-CD1 4.33Å; F662-Y701 HydrophobicContact CD2-CD2 4.38Å; F662-Y701 HydrophobicContact CD2-CE1 4.31Å; F662-Y701 HydrophobicContact CD2-CE2 4.39Å; F662-Y701 HydrophobicContact CD2-CG 4.38Å; F662-Y701 HydrophobicContact CG-CE1 4.38Å; F662-Y701 HydrophobicContact CG-CE2 4.33Å; A697-Y701 WeakPolarHBondContact O-CD2 3.29Å; A697-Y701 PolarHBondContact O-N 3.06Å; A697-Y701 VanDerWaalsContact O-N 3.1Å; L698-Y701 PolarHBondContact O-N 3.21Å; D699-Y701 VanDerWaalsContact C-N 3.34Å; D699-Y701 PolarHBondContact O-N 2.96Å; Y701-L704 HydrophobicContact CD1-CD1 4.1Å; Y701-L704 HydrophobicContact CE1-CD1 4.46Å; Y701-L704 CarbonylContact O-C 3.53Å; Y701-L704 PolarHBondContact O-N 2.99Å; Y701-N705 PolarHBondContact O-N 3.29Å; Y701-V706 HydrophobicContact CD1-CG2 4.25Å; Y701-V706 PolarHBondContact O-N 2.89Å; Y701-W707 HydrophobicContact CG-CH2 4.18Å; Y701-W707 HydrophobicContact CG-CZ2 3.86Å; Y701-W707 AromaticContact CG-CZ2 3.86Å; Y701-W707 HydrophobicContact CD2-CZ2 3.58Å; Y701-W707 AromaticContact CD2-CZ2 3.58Å; Y701-W707 VanDerWaalsContact CB-CE2 3.48Å; Y701-W707 AromaticContact CD2-CH2 3.74Å; Y701-W707 HydrophobicContact CD2-CH2 3.74Å
702	E	79.5	Confident	78.6	Confident	71 Å²	71	67.1 Å²	67.1	33%	0.332	38%	0.375	S	S	.	.	H	α-helix	trans	-71.6	-41.3	169.1	-176.1	164.2	-154.7	0	0	110.4	L698 D699 L704 N705	L698-E702 VanDerWaalsContact O-CB 3.28Å; L698-E702 WeakPolarHBondContact O-CB 3.49Å; L698-E702 PolarHBondContact O-N 2.91Å; D699-E702 PolarHBondContact O-N 3.49Å; E702-L704 PolarHBondContact O-N 3.47Å; E702-N705 PolarHBondContact O-N 3.07Å
703	E	79.6	Confident	78.1	Confident	165 Å²	165	71.2 Å²	71.2	77%	0.771	38%	0.378	S	S	*	.	H	α-helix	trans	-59.1	-34.9	170.5	-73.9	-175.5	175.9	0	0	112.2	D699 N705	D699-E703 WeakPolarHBondContact O-CG 3.43Å; D699-E703 PolarHBondContact O-N 3.44Å; E703-N705 VanDerWaalsContact C-N 3.26Å; E703-N705 PolarHBondContact O-N 3.14Å
704	L	80.5	Confident	77.6	Confident	110 Å²	110	70.9 Å²	70.9	58%	0.576	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	2.7	175.8	-65.8	168.8	0	0	0	113.8	E700 Y701 E702 V706	E700-L704 VanDerWaalsContact O-CG 3.28Å; E700-L704 WeakPolarHBondContact O-CG 3.45Å; E700-L704 PolarHBondContact O-N 3.31Å; E700-L704 WeakPolarHBondContact O-CD1 3.35Å; Y701-L704 HydrophobicContact CD1-CD1 4.1Å; Y701-L704 HydrophobicContact CE1-CD1 4.46Å; Y701-L704 CarbonylContact O-C 3.53Å; Y701-L704 PolarHBondContact O-N 2.99Å; E702-L704 PolarHBondContact O-N 3.47Å; L704-V706 VanDerWaalsContact C-N 3.26Å; L704-V706 HydrophobicContact CB-CG2 4.01Å; L704-V706 PolarHBondContact O-N 3.26Å
705	N	76.4	Confident	77.3	Confident	113 Å²	113	76.5 Å²	76.5	60%	0.604	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	29.1	-179.3	-65.8	-67.5	0	0	0	115.2	Y701 E702 E703	Y701-N705 PolarHBondContact O-N 3.29Å; E702-N705 PolarHBondContact O-N 3.07Å; E703-N705 VanDerWaalsContact C-N 3.26Å; E703-N705 PolarHBondContact O-N 3.14Å
706	V	76.6	Confident	77.2	Confident	48 Å²	48	72.7 Å²	72.7	29%	0.291	39%	0.385	S	S	.	.	S	Bend	trans	-82.7	-32.8	-179.4	-174.8	0	0	0	0	111.7	F662 Y701 L704 V719	F662-V706 HydrophobicContact CD2-CG1 4.5Å; F662-V706 HydrophobicContact CE2-CG1 3.49Å; F662-V706 VanDerWaalsContact CE2-CG1 3.49Å; F662-V706 HydrophobicContact CZ-CG1 3.99Å; Y701-V706 HydrophobicContact CD1-CG2 4.25Å; Y701-V706 PolarHBondContact O-N 2.89Å; L704-V706 VanDerWaalsContact C-N 3.26Å; L704-V706 HydrophobicContact CB-CG2 4.01Å; L704-V706 PolarHBondContact O-N 3.26Å; V706-V719 PolarHBondContact O-N 2.8Å
707	W	79.9	Confident	76.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.2	168.8	52.3	47.3	0	0	0	110.3	F662 I665 L698 Y701 I716 T717 F718	F662-W707 HydrophobicContact CB-CH2 4.45Å; F662-W707 HydrophobicContact CD2-CE3 4.26Å; F662-W707 AromaticContact CD2-CH2 3.84Å; F662-W707 HydrophobicContact CD2-CH2 3.84Å; F662-W707 AromaticContact CD2-CZ3 3.49Å; F662-W707 HydrophobicContact CD2-CZ3 3.49Å; F662-W707 VanDerWaalsContact CD2-CZ3 3.49Å; F662-W707 HydrophobicContact CE2-CE3 4.4Å; F662-W707 HydrophobicContact CE2-CZ3 4.03Å; I665-W707 HydrophobicContact CB-CZ3 4.09Å; I665-W707 HydrophobicContact CD1-CH2 3.46Å; I665-W707 VanDerWaalsContact CD1-CH2 3.46Å; I665-W707 HydrophobicContact CD1-CZ2 4.28Å; I665-W707 HydrophobicContact CD1-CZ3 3.62Å; I665-W707 HydrophobicContact CG1-CZ3 4.49Å; I665-W707 HydrophobicContact CG2-CE3 4.37Å; I665-W707 HydrophobicContact CG2-CZ3 3.99Å; L698-W707 HydrophobicContact CD2-CD2 4.38Å; L698-W707 HydrophobicContact CD2-CH2 4.36Å; L698-W707 HydrophobicContact CD2-CZ2 3.62Å; L698-W707 HydrophobicContact CG-CZ2 4.37Å; L698-W707 PolarHBondContact O-NE1 3.24Å; Y701-W707 HydrophobicContact CG-CH2 4.18Å; Y701-W707 HydrophobicContact CG-CZ2 3.86Å; Y701-W707 AromaticContact CG-CZ2 3.86Å; Y701-W707 HydrophobicContact CD2-CZ2 3.58Å; Y701-W707 AromaticContact CD2-CZ2 3.58Å; Y701-W707 VanDerWaalsContact CB-CE2 3.48Å; Y701-W707 AromaticContact CD2-CH2 3.74Å; Y701-W707 HydrophobicContact CD2-CH2 3.74Å; W707-I716 HydrophobicContact CB-CG2 3.79Å; W707-I716 HydrophobicContact CD2-CG2 3.99Å; W707-I716 HydrophobicContact CE3-CG2 4.27Å; W707-I716 HydrophobicContact CG-CG2 3.77Å; W707-T717 WeakPolarHBondContact CB-O 3.35Å; W707-T717 CarbonylContact C-O 3.57Å; W707-T717 VanDerWaalsContact CA-O 3.24Å; W707-T717 WeakPolarHBondContact CA-O 3.24Å; W707-F718 HydrophobicContact CE3-CD1 4.45Å; W707-F718 AromaticContact CE3-CE1 3.69Å; W707-F718 HydrophobicContact CE3-CE1 3.69Å; W707-F718 AromaticContact CE3-CE2 4Å; W707-F718 HydrophobicContact CE3-CE2 4Å; W707-F718 AromaticContact CE3-CZ 3.43Å; W707-F718 HydrophobicContact CE3-CZ 3.43Å; W707-F718 VanDerWaalsContact CE3-CZ 3.43Å; W707-F718 HydrophobicContact CZ3-CE1 4.19Å; W707-F718 AromaticContact CZ3-CZ 3.8Å; W707-F718 HydrophobicContact CZ3-CZ 3.8Å
708	Q	76.9	Confident	76.5	Confident	106 Å²	106	71.8 Å²	71.8	50%	0.495	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.1	170	-80	175.6	-0.2	0	0	109.3	T717 V719	Q708-T717 PolarHBondContact O-N 2.86Å; Q708-T717 PolarHBondContact O-OG1 3.24Å; Q708-T717 PolarHBondContact N-O 2.87Å; Q708-V719 HydrophobicContact CB-CG2 4.18Å; Q708-V719 HydrophobicContact CG-CG2 3.62Å
709	V	74.6	Confident	75.7	Confident	27 Å²	27	76.6 Å²	76.6	16%	0.164	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130	173.5	-174.4	0	0	0	0	108.4	R713 I716	V709-R713 HydrophobicContact CG1-CG 4.22Å; V709-I716 HydrophobicContact CG2-CG1 4.31Å
710	N	78.3	Confident	75.5	Confident	80 Å²	80	76.7 Å²	76.7	43%	0.428	41%	0.407	S	S	.	.			trans	-61.3	148.2	174.8	-90.4	-37.9	0	0	0	111	S712 R713 R715	N710-S712 PolarHBondContact O-N 3.17Å; N710-R713 WeakPolarHBondContact O-CA 3.37Å; N710-R713 PolarHBondContact O-N 3.23Å; N710-R715 PolarHBondContact N-O 2.89Å
711	A	67.3	Low	75.1	Confident	116 Å²	116	77.3 Å²	77.3	96%	0.959	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.6	-179.7	0	0	0	0	0	114.7
712	S	70.6	Confident	74.8	Confident	82 Å²	82	80.4 Å²	80.4	57%	0.573	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	6.7	174	58.1	0	0	0	0	114.7	N710 T714	N710-S712 PolarHBondContact O-N 3.17Å; S712-T714 VanDerWaalsContact O-CG2 3.29Å; S712-T714 WeakPolarHBondContact O-CG2 3.49Å; S712-T714 PolarHBondContact O-N 3.42Å; S712-T714 PolarHBondContact OG-OG1 2.94Å; S712-T714 VanDerWaalsContact OG-OG1 3.14Å
713	R	68.5	Low	74.5	Confident	147 Å²	147	80.9 Å²	80.9	56%	0.555	44%	0.436	S	S	*	.	S	Bend	trans	49.1	29.1	-177.7	-67.5	-174.8	171.9	-173.4	-5.9	115.1	F677 V709 N710	F677-R713 WeakPolarHBondContact CB-O 3.29Å; F677-R713 VanDerWaalsContact CG-O 3.27Å; F677-R713 WeakPolarHBondContact CG-O 3.28Å; V709-R713 HydrophobicContact CG1-CG 4.22Å; N710-R713 WeakPolarHBondContact O-CA 3.37Å; N710-R713 PolarHBondContact O-N 3.23Å
714	T	70.6	Confident	74.2	Confident	77 Å²	77	75.7 Å²	75.7	47%	0.472	42%	0.415	S	S	.	.	S	Bend	trans	-93.8	-26.6	-175.5	53.5	0	0	0	0	113.9	F677 S712	F677-T714 PolarHBondContact N-O 3.25Å; F677-T714 VanDerWaalsContact N-O 3.15Å; S712-T714 VanDerWaalsContact O-CG2 3.29Å; S712-T714 WeakPolarHBondContact O-CG2 3.49Å; S712-T714 PolarHBondContact O-N 3.42Å; S712-T714 PolarHBondContact OG-OG1 2.94Å; S712-T714 VanDerWaalsContact OG-OG1 3.14Å
715	R	75.6	Confident	73.8	Confident	122 Å²	122	73.4 Å²	73.4	46%	0.46	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.8	-177.3	-60.1	179.5	83.4	165.1	1.8	110.5	S674 V675 N710	S674-R715 PolarHBondContact OG-NH2 3.08Å; V675-R715 WeakPolarHBondContact O-CA 3.11Å; N710-R715 PolarHBondContact N-O 2.89Å
716	I	77.9	Confident	73.6	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.2	170.8	-57.6	159.5	0	0	0	106.3	S674 V675 F677 A680 F694 L698 W707 V709	S674-I716 CarbonylContact C-O 3.58Å; S674-I716 VanDerWaalsContact CA-O 3.28Å; S674-I716 WeakPolarHBondContact CA-O 3.31Å; V675-I716 PolarHBondContact N-O 3.3Å; V675-I716 PolarHBondContact O-N 2.77Å; F677-I716 HydrophobicContact CD2-CD1 4.2Å; F677-I716 HydrophobicContact CD2-CG1 4.33Å; A680-I716 HydrophobicContact CB-CD1 4.12Å; F694-I716 HydrophobicContact CZ-CD1 4.41Å; L698-I716 HydrophobicContact CD1-CD1 4.46Å; L698-I716 HydrophobicContact CD2-CD1 3.73Å; L698-I716 HydrophobicContact CD2-CG1 4.22Å; W707-I716 HydrophobicContact CB-CG2 3.79Å; W707-I716 HydrophobicContact CD2-CG2 3.99Å; W707-I716 HydrophobicContact CE3-CG2 4.27Å; W707-I716 HydrophobicContact CG-CG2 3.77Å; V709-I716 HydrophobicContact CG2-CG1 4.31Å
717	T	75.6	Confident	73.3	Confident	47 Å²	47	72.3 Å²	72.3	29%	0.288	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.8	178.1	33.1	0	0	0	0	109.6	W707 Q708	W707-T717 WeakPolarHBondContact CB-O 3.35Å; W707-T717 CarbonylContact C-O 3.57Å; W707-T717 VanDerWaalsContact CA-O 3.24Å; W707-T717 WeakPolarHBondContact CA-O 3.24Å; Q708-T717 PolarHBondContact O-N 2.86Å; Q708-T717 PolarHBondContact O-OG1 3.24Å; Q708-T717 PolarHBondContact N-O 2.87Å
718	F	73.6	Confident	72.8	Confident	30 Å²	30	78.3 Å²	78.3	13%	0.132	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131	172.4	-78.6	-102	0	0	0	109.1	F662 I665 V669 R673 W707	F662-F718 AromaticContact CE2-CE1 3.84Å; F662-F718 HydrophobicContact CE2-CE1 3.84Å; F662-F718 HydrophobicContact CZ-CE1 4.39Å; I665-F718 HydrophobicContact CB-CZ 4.43Å; I665-F718 HydrophobicContact CG2-CE2 3.61Å; I665-F718 HydrophobicContact CG2-CZ 3.61Å; V669-F718 HydrophobicContact CB-CE2 4.32Å; V669-F718 HydrophobicContact CG1-CD2 4.13Å; V669-F718 HydrophobicContact CG1-CE2 4.41Å; V669-F718 HydrophobicContact CG1-CG 4.48Å; V669-F718 HydrophobicContact CG2-CD2 3.53Å; V669-F718 HydrophobicContact CG2-CE2 3.11Å; V669-F718 HydrophobicContact CG2-CG 4.5Å; V669-F718 HydrophobicContact CG2-CZ 3.76Å; R673-F718 PolarHBondContact O-N 2.95Å; R673-F718 VanDerWaalsContact O-N 3.08Å; W707-F718 HydrophobicContact CE3-CD1 4.45Å; W707-F718 AromaticContact CE3-CE1 3.69Å; W707-F718 HydrophobicContact CE3-CE1 3.69Å; W707-F718 AromaticContact CE3-CE2 4Å; W707-F718 HydrophobicContact CE3-CE2 4Å; W707-F718 AromaticContact CE3-CZ 3.43Å; W707-F718 HydrophobicContact CE3-CZ 3.43Å; W707-F718 VanDerWaalsContact CE3-CZ 3.43Å; W707-F718 HydrophobicContact CZ3-CE1 4.19Å; W707-F718 AromaticContact CZ3-CZ 3.8Å; W707-F718 HydrophobicContact CZ3-CZ 3.8Å
719	V	63.9	Low	72.4	Confident	106 Å²	106	75.8 Å²	75.8	64%	0.642	43%	0.425	S	S	*	.			trans	-74.2	0	-179.1	178.4	0	0	0	0	109.6	R673 V706 Q708	R673-V719 PolarHBondContact NH2-OXT 2.91Å; V706-V719 PolarHBondContact O-N 2.8Å; Q708-V719 HydrophobicContact CB-CG2 4.18Å; Q708-V719 HydrophobicContact CG-CG2 3.62Å

Retrieved 719 of 719 residues in 1877.1 ms (Link to these results)

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