A0A3Q0KNW5_SCHMA Loading...

Mini-chromosome maintenance complex-binding protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNW5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 731 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	52.4	Low	75.5	Confident	192 Å²	192	72.1 Å²	72.1	95%	0.946	37%	0.373	S	S	*	.				0	126.3	0	-81.5	-174.4	-171.1	0	0	106.1	L3 T61	M1-L3 PolarHBondContact O-N 3.22Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-T61 HydrophobicContact SD-CG2 4.25Å
2	D	63.7	Low	76.3	Confident	143 Å²	143	77.3 Å²	77.3	77%	0.765	39%	0.391	S	S	*	.			trans	-57.6	114.3	173.2	-123.1	-26.7	0	0	0	108.3	P5	D2-P5 WeakPolarHBondContact O-CD 3.35Å
3	L	71.4	Confident	77	Confident	62 Å²	62	71.5 Å²	71.5	33%	0.325	36%	0.362	S	S	.	.			trans	-77.6	-14.4	176.7	-72.2	167.5	0	0	0	111	M1 P5 L6 Y7 I71	M1-L3 PolarHBondContact O-N 3.22Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-P5 VanDerWaalsContact C-CD 3.45Å; L3-L6 WeakPolarHBondContact O-CA 3.39Å; L3-L6 WeakPolarHBondContact O-CB 3.18Å; L3-L6 PolarHBondContact O-N 3.35Å; L3-Y7 HydrophobicContact CB-CD2 4.01Å; L3-Y7 HydrophobicContact CB-CE2 3.62Å; L3-Y7 HydrophobicContact CD1-CE2 4.48Å; L3-Y7 VanDerWaalsContact O-CD2 3.28Å; L3-Y7 WeakPolarHBondContact O-CD2 3.49Å; L3-Y7 PolarHBondContact O-N 3.26Å; L3-Y7 VanDerWaalsContact O-N 3.15Å; L3-I71 HydrophobicContact CD2-CD1 4.45Å
4	F	76.6	Confident	77.6	Confident	144 Å²	144	66.5 Å²	66.5	63%	0.632	34%	0.336	S	S	*	.	H	α-helix	trans	-50.8	-43.9	-174.8	-172	-102.7	0	0	0	114.6	L6 Y7 C8	F4-L6 VanDerWaalsContact C-N 3.26Å; F4-L6 PolarHBondContact O-N 3.48Å; F4-Y7 PolarHBondContact O-N 3.41Å; F4-C8 PolarHBondContact O-N 2.97Å; F4-C8 VanDerWaalsContact O-N 3.07Å; F4-C8 PolarHBondContact O-SG 3.38Å; F4-C8 VanDerWaalsContact O-SG 3.39Å
5	P	76.2	Confident	78.1	Confident	64 Å²	64	69.9 Å²	69.9	42%	0.416	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-36	176.4	-22.3	34.6	0	0	0	112.9	D2 L3 C8 S9	D2-P5 WeakPolarHBondContact O-CD 3.35Å; L3-P5 VanDerWaalsContact C-CD 3.45Å; P5-C8 PolarHBondContact O-N 3.15Å; P5-S9 PolarHBondContact O-N 3.09Å; P5-S9 PolarHBondContact O-OG 3.48Å
6	L	75.4	Confident	78.6	Confident	8 Å²	8	76.8 Å²	76.8	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-71.1	-40	179.8	-175.2	63.2	0	0	0	111.6	L3 F4 S9 L10 L54 I71	L3-L6 WeakPolarHBondContact O-CA 3.39Å; L3-L6 WeakPolarHBondContact O-CB 3.18Å; L3-L6 PolarHBondContact O-N 3.35Å; F4-L6 VanDerWaalsContact C-N 3.26Å; F4-L6 PolarHBondContact O-N 3.48Å; L6-S9 PolarHBondContact O-N 3.01Å; L6-L10 HydrophobicContact CD1-CD1 4.2Å; L6-L10 HydrophobicContact CD1-CG 4.38Å; L6-L10 HydrophobicContact CG-CD1 3.99Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.22Å; L6-L10 PolarHBondContact O-N 2.83Å; L6-L54 HydrophobicContact CD1-CD2 3.74Å; L6-I71 HydrophobicContact CD2-CD1 3.41Å; L6-I71 VanDerWaalsContact CD2-CD1 3.41Å; L6-I71 HydrophobicContact CG-CD1 3.95Å
7	Y	82.1	Confident	78.8	Confident	52 Å²	52	76.4 Å²	76.4	20%	0.204	37%	0.368	C	S	.	.	H	α-helix	trans	-57.9	-49.5	171.1	-76.4	-89.7	0	0	0	110.5	L3 F4 S9 L10 I11 I71 E74 I75	L3-Y7 HydrophobicContact CB-CD2 4.01Å; L3-Y7 HydrophobicContact CB-CE2 3.62Å; L3-Y7 HydrophobicContact CD1-CE2 4.48Å; L3-Y7 VanDerWaalsContact O-CD2 3.28Å; L3-Y7 WeakPolarHBondContact O-CD2 3.49Å; L3-Y7 PolarHBondContact O-N 3.26Å; L3-Y7 VanDerWaalsContact O-N 3.15Å; F4-Y7 PolarHBondContact O-N 3.41Å; Y7-S9 PolarHBondContact O-N 2.93Å; Y7-L10 PolarHBondContact O-N 3.32Å; Y7-I11 WeakPolarHBondContact O-CB 3.48Å; Y7-I11 VanDerWaalsContact O-CG1 3.22Å; Y7-I11 WeakPolarHBondContact O-CG1 3.21Å; Y7-I11 PolarHBondContact O-N 2.6Å; Y7-I71 HydrophobicContact CD1-CG2 3.63Å; Y7-I71 HydrophobicContact CE1-CB 4.21Å; Y7-I71 HydrophobicContact CE1-CG1 4.09Å; Y7-I71 HydrophobicContact CE1-CG2 3.62Å; Y7-I71 HydrophobicContact CE2-CG1 4.2Å; Y7-I71 HydrophobicContact CG-CG2 4.22Å; Y7-E74 PolarHBondContact OH-OE2 2.96Å; Y7-I75 HydrophobicContact CD1-CD1 4.42Å; Y7-I75 HydrophobicContact CD1-CG1 4.3Å
8	C	82.6	Confident	79	Confident	44 Å²	44	76.1 Å²	76.1	30%	0.297	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-45.1	-178.9	-69.8	0	0	0	0	112.6	F4 P5 K12	F4-C8 PolarHBondContact O-N 2.97Å; F4-C8 VanDerWaalsContact O-N 3.07Å; F4-C8 PolarHBondContact O-SG 3.38Å; F4-C8 VanDerWaalsContact O-SG 3.39Å; P5-C8 PolarHBondContact O-N 3.15Å; C8-K12 WeakPolarHBondContact O-CB 3.35Å; C8-K12 VanDerWaalsContact O-CG 3.26Å; C8-K12 WeakPolarHBondContact O-CG 3.41Å; C8-K12 PolarHBondContact O-N 3.38Å
9	S	81.4	Confident	79	Confident	27 Å²	27	74.1 Å²	74.1	19%	0.189	37%	0.366	C	S	.	.	H	α-helix	trans	-66.2	-42	177.8	-65.1	0	0	0	0	112.3	P5 L6 Y7 K12 Y13	P5-S9 PolarHBondContact O-N 3.09Å; P5-S9 PolarHBondContact O-OG 3.48Å; L6-S9 PolarHBondContact O-N 3.01Å; Y7-S9 PolarHBondContact O-N 2.93Å; S9-K12 PolarHBondContact O-N 3.5Å; S9-Y13 WeakPolarHBondContact O-CB 3.14Å; S9-Y13 PolarHBondContact O-N 3.32Å
10	L	83.8	Confident	79	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-42.3	177.6	-74.2	169.3	0	0	0	112	L6 Y7 Y13 L14 L50 L68 I71 I75	L6-L10 HydrophobicContact CD1-CD1 4.2Å; L6-L10 HydrophobicContact CD1-CG 4.38Å; L6-L10 HydrophobicContact CG-CD1 3.99Å; L6-L10 WeakPolarHBondContact O-CB 3.46Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.22Å; L6-L10 PolarHBondContact O-N 2.83Å; Y7-L10 PolarHBondContact O-N 3.32Å; L10-Y13 WeakPolarHBondContact O-CB 3.5Å; L10-Y13 PolarHBondContact O-N 2.93Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 VanDerWaalsContact O-CG 3.24Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 2.78Å; L10-L50 HydrophobicContact CD2-CD1 3.83Å; L10-L68 HydrophobicContact CD1-CD1 3.67Å; L10-L68 HydrophobicContact CD2-CD1 3.71Å; L10-L68 HydrophobicContact CG-CD1 4.37Å; L10-I71 HydrophobicContact CD1-CB 4.3Å; L10-I71 HydrophobicContact CD1-CD1 4.48Å; L10-I71 HydrophobicContact CD1-CG2 3.6Å; L10-I75 HydrophobicContact CB-CD1 4.44Å
11	I	84.5	Confident	78.9	Confident	55 Å²	55	74.7 Å²	74.7	28%	0.282	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-46.6	176.5	-68.9	165.7	0	0	0	110.1	Y7 Y13 L14 E15 I75	Y7-I11 WeakPolarHBondContact O-CB 3.48Å; Y7-I11 VanDerWaalsContact O-CG1 3.22Å; Y7-I11 WeakPolarHBondContact O-CG1 3.21Å; Y7-I11 PolarHBondContact O-N 2.6Å; I11-Y13 VanDerWaalsContact C-N 3.31Å; I11-Y13 PolarHBondContact O-N 2.99Å; I11-L14 PolarHBondContact O-N 2.85Å; I11-E15 HydrophobicContact CG2-CG 4.38Å; I11-E15 WeakPolarHBondContact O-CB 3.46Å; I11-E15 WeakPolarHBondContact O-CG 3.46Å; I11-E15 PolarHBondContact O-N 2.83Å; I11-I75 HydrophobicContact CG1-CD1 3.91Å; I11-I75 HydrophobicContact CG1-CG1 4.31Å
12	K	85.1	Confident	80.3	Confident	134 Å²	134	66.8 Å²	66.8	58%	0.583	33%	0.333	S	S	*	.	H	α-helix	trans	-56.9	-44.1	175.3	-75.8	175.3	179.9	-175.8	0	112.4	C8 S9 E15 R16	C8-K12 WeakPolarHBondContact O-CB 3.35Å; C8-K12 VanDerWaalsContact O-CG 3.26Å; C8-K12 WeakPolarHBondContact O-CG 3.41Å; C8-K12 PolarHBondContact O-N 3.38Å; S9-K12 PolarHBondContact O-N 3.5Å; K12-E15 PolarHBondContact O-N 3.37Å; K12-R16 VanDerWaalsContact O-CB 3.29Å; K12-R16 WeakPolarHBondContact O-CB 3Å; K12-R16 PolarHBondContact O-N 3.41Å
13	Y	85.7	Confident	81.1	Confident	3 Å²	3	60.1 Å²	60.1	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-49.9	175.4	175.2	-89.8	0	0	0	111.5	S9 L10 I11 E15 R16 H17 L19 L45 A46 D49 L50 E53	S9-Y13 WeakPolarHBondContact O-CB 3.14Å; S9-Y13 PolarHBondContact O-N 3.32Å; L10-Y13 WeakPolarHBondContact O-CB 3.5Å; L10-Y13 PolarHBondContact O-N 2.93Å; I11-Y13 VanDerWaalsContact C-N 3.31Å; I11-Y13 PolarHBondContact O-N 2.99Å; Y13-E15 VanDerWaalsContact C-N 3.3Å; Y13-E15 PolarHBondContact O-N 3.48Å; Y13-R16 PolarHBondContact O-N 3.29Å; Y13-H17 AromaticContact CD2-CD2 3.72Å; Y13-H17 AromaticContact CD2-NE2 3.92Å; Y13-H17 AromaticContact CE2-CD2 3.4Å; Y13-H17 VanDerWaalsContact CE2-CD2 3.4Å; Y13-H17 WeakPolarHBondContact CE2-CD2 3.44Å; Y13-H17 AromaticContact CE2-NE2 3.39Å; Y13-H17 WeakPolarHBondContact CE2-NE2 3.45Å; Y13-H17 AromaticContact CZ-CD2 3.61Å; Y13-H17 AromaticContact CZ-NE2 3.89Å; Y13-H17 PolarHBondContact O-CD2 3.18Å; Y13-H17 PolarHBondContact O-N 2.84Å; Y13-L19 HydrophobicContact CE1-CD1 4.14Å; Y13-L45 HydrophobicContact CD1-CD2 4.39Å; Y13-L45 HydrophobicContact CE1-CD2 3.7Å; Y13-A46 PolarHBondContact OH-N 3.35Å; Y13-A46 PolarHBondContact OH-O 2.86Å; Y13-D49 HydrophobicContact CE2-CB 3.76Å; Y13-L50 HydrophobicContact CD1-CD1 4.27Å; Y13-L50 HydrophobicContact CD2-CD1 4.35Å; Y13-L50 HydrophobicContact CE1-CD1 4.47Å; Y13-L50 HydrophobicContact CE2-CB 4.21Å; Y13-L50 HydrophobicContact CG-CD1 4.22Å; Y13-E53 HydrophobicContact CD2-CB 4.39Å; Y13-E53 HydrophobicContact CD2-CG 4.16Å
14	L	85.7	Confident	81.4	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-36.5	-179.5	-67.8	175.3	0	0	0	112.2	L10 I11 S18 L19 M20 F23 L45 L72 I75	L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 VanDerWaalsContact O-CG 3.24Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 2.78Å; I11-L14 PolarHBondContact O-N 2.85Å; L14-S18 PolarHBondContact O-N 3.37Å; L14-L19 HydrophobicContact CB-CB 4.47Å; L14-L19 HydrophobicContact CD2-CB 3.99Å; L14-L19 HydrophobicContact CD2-CD1 3.66Å; L14-L19 HydrophobicContact CD2-CG 4.48Å; L14-L19 PolarHBondContact O-N 3.19Å; L14-M20 HydrophobicContact CB-CG 3.78Å; L14-M20 HydrophobicContact CB-SD 3.73Å; L14-M20 HydrophobicContact CD1-SD 3.97Å; L14-M20 HydrophobicContact CG-SD 4.5Å; L14-M20 PolarHBondContact O-N 2.85Å; L14-F23 HydrophobicContact CD2-CE2 4.2Å; L14-L45 HydrophobicContact CD2-CD2 4.22Å; L14-L72 HydrophobicContact CD1-CD2 4.11Å; L14-I75 HydrophobicContact CD1-CD1 4.37Å; L14-I75 HydrophobicContact CD1-CG2 4.14Å
15	E	85.7	Confident	81.4	Confident	118 Å²	118	58.9 Å²	58.9	55%	0.551	30%	0.295	S	S	*	.	H	α-helix	trans	-68.4	-47	173.9	-74.6	179.8	173.1	0	0	111.9	I11 K12 Y13 H17 S18 M20	I11-E15 HydrophobicContact CG2-CG 4.38Å; I11-E15 WeakPolarHBondContact O-CB 3.46Å; I11-E15 WeakPolarHBondContact O-CG 3.46Å; I11-E15 PolarHBondContact O-N 2.83Å; K12-E15 PolarHBondContact O-N 3.37Å; Y13-E15 VanDerWaalsContact C-N 3.3Å; Y13-E15 PolarHBondContact O-N 3.48Å; E15-H17 VanDerWaalsContact C-N 3.3Å; E15-H17 PolarHBondContact O-N 2.83Å; E15-S18 PolarHBondContact O-N 3.39Å; E15-M20 HydrophobicContact CG-CG 3.96Å
16	R	85.5	Confident	81.5	Confident	179 Å²	179	61.3 Å²	61.3	68%	0.675	30%	0.296	S	S	*	.	H	α-helix	trans	-57.6	-42.5	-179.9	-177	175.9	176.4	174.5	-4.7	111.9	K12 Y13 S18 E53	K12-R16 VanDerWaalsContact O-CB 3.29Å; K12-R16 WeakPolarHBondContact O-CB 3Å; K12-R16 PolarHBondContact O-N 3.41Å; Y13-R16 PolarHBondContact O-N 3.29Å; R16-S18 VanDerWaalsContact C-N 3.27Å; R16-S18 PolarHBondContact O-N 3.01Å; R16-E53 WeakPolarHBondContact CD-OE1 3.3Å; R16-E53 IonicContact CZ-OE1 3.8Å; R16-E53 IonicContact NE-OE1 3.94Å; R16-E53 IonicContact NH1-OE1 3.12Å; R16-E53 PolarHBondContact NH1-OE1 3.33Å
17	H	82.5	Confident	81.7	Confident	70 Å²	70	61 Å²	61	32%	0.324	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	10	177.7	-70	-85.3	0	0	0	113.9	Y13 E15 L19 D49	Y13-H17 AromaticContact CD2-CD2 3.72Å; Y13-H17 AromaticContact CD2-NE2 3.92Å; Y13-H17 AromaticContact CE2-CD2 3.4Å; Y13-H17 VanDerWaalsContact CE2-CD2 3.4Å; Y13-H17 WeakPolarHBondContact CE2-CD2 3.44Å; Y13-H17 AromaticContact CE2-NE2 3.39Å; Y13-H17 WeakPolarHBondContact CE2-NE2 3.45Å; Y13-H17 AromaticContact CZ-CD2 3.61Å; Y13-H17 AromaticContact CZ-NE2 3.89Å; Y13-H17 PolarHBondContact O-CD2 3.18Å; Y13-H17 PolarHBondContact O-N 2.84Å; E15-H17 VanDerWaalsContact C-N 3.3Å; E15-H17 PolarHBondContact O-N 2.83Å; H17-L19 HydrophobicContact CB-CD1 4.11Å; H17-L19 HydrophobicContact CB-CG 3.96Å; H17-L19 PolarHBondContact O-N 2.88Å; H17-D49 IonicContact CE1-OD2 2.74Å; H17-D49 PolarHBondContact CE1-OD2 2.75Å; H17-D49 IonicContact NE2-OD2 2.7Å
18	S	81.2	Confident	81.3	Confident	72 Å²	72	59.9 Å²	59.9	50%	0.503	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	23.7	-178.5	-61.4	0	0	0	0	114.4	L14 E15 R16 M20 G22	L14-S18 PolarHBondContact O-N 3.37Å; E15-S18 PolarHBondContact O-N 3.39Å; R16-S18 VanDerWaalsContact C-N 3.27Å; R16-S18 PolarHBondContact O-N 3.01Å; S18-M20 VanDerWaalsContact C-N 3.34Å; S18-G22 PolarHBondContact O-N 2.86Å
19	L	80	Confident	80.9	Confident	38 Å²	38	63.7 Å²	63.7	20%	0.199	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-33.2	179.8	-67.3	173.8	0	0	0	111.2	Y13 L14 H17 G22 F23 L45	Y13-L19 HydrophobicContact CE1-CD1 4.14Å; L14-L19 HydrophobicContact CB-CB 4.47Å; L14-L19 HydrophobicContact CD2-CB 3.99Å; L14-L19 HydrophobicContact CD2-CD1 3.66Å; L14-L19 HydrophobicContact CD2-CG 4.48Å; L14-L19 PolarHBondContact O-N 3.19Å; H17-L19 HydrophobicContact CB-CD1 4.11Å; H17-L19 HydrophobicContact CB-CG 3.96Å; H17-L19 PolarHBondContact O-N 2.88Å; L19-G22 CarbonylContact O-C 3.47Å; L19-G22 VanDerWaalsContact O-CA 3.29Å; L19-G22 WeakPolarHBondContact O-CA 3.46Å; L19-G22 PolarHBondContact O-N 2.91Å; L19-F23 HydrophobicContact CB-CE2 3.96Å; L19-F23 HydrophobicContact CB-CZ 4.26Å; L19-F23 WeakPolarHBondContact O-CD2 3.14Å; L19-F23 WeakPolarHBondContact O-CG 3.21Å; L19-F23 PolarHBondContact O-N 3.07Å; L19-L45 HydrophobicContact CD1-CD2 4.23Å
20	M	78.3	Confident	80.3	Confident	24 Å²	24	64 Å²	64	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-56.5	-53.8	176.2	-63.1	-65	-79.9	0	0	112	L14 E15 S18 G22 F23 E24 I75 L79	L14-M20 HydrophobicContact CB-CG 3.78Å; L14-M20 HydrophobicContact CB-SD 3.73Å; L14-M20 HydrophobicContact CD1-SD 3.97Å; L14-M20 HydrophobicContact CG-SD 4.5Å; L14-M20 PolarHBondContact O-N 2.85Å; E15-M20 HydrophobicContact CG-CG 3.96Å; S18-M20 VanDerWaalsContact C-N 3.34Å; M20-G22 PolarHBondContact O-N 3.48Å; M20-F23 WeakPolarHBondContact O-CB 3.48Å; M20-F23 PolarHBondContact O-N 3.5Å; M20-E24 PolarHBondContact O-N 3.3Å; M20-I75 HydrophobicContact CE-CG2 4.33Å; M20-I75 HydrophobicContact SD-CG2 4.27Å; M20-L79 HydrophobicContact CE-CD1 3.56Å; M20-L79 HydrophobicContact CE-CD2 3.58Å; M20-L79 HydrophobicContact CE-CG 3.95Å; M20-L79 HydrophobicContact SD-CD1 3.74Å
21	K	77.8	Confident	79.7	Confident	137 Å²	137	65.3 Å²	65.3	60%	0.596	31%	0.311	S	S	*	.	H	α-helix	trans	-59.8	-33.4	173.4	-64.2	-176.5	-179.6	177.1	0	112	N25	K21-N25 WeakPolarHBondContact O-CB 3.14Å; K21-N25 PolarHBondContact O-N 2.97Å; K21-N25 PolarHBondContact O-ND2 3.12Å
22	G	80.4	Confident	78.8	Confident	25 Å²	25	72.3 Å²	72.3	26%	0.258	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-42.4	172.9	0	0	0	0	0	112.6	S18 L19 M20 R26	S18-G22 PolarHBondContact O-N 2.86Å; L19-G22 CarbonylContact O-C 3.47Å; L19-G22 VanDerWaalsContact O-CA 3.29Å; L19-G22 WeakPolarHBondContact O-CA 3.46Å; L19-G22 PolarHBondContact O-N 2.91Å; M20-G22 PolarHBondContact O-N 3.48Å; G22-R26 WeakPolarHBondContact O-CB 3.25Å; G22-R26 VanDerWaalsContact O-CG 3.22Å; G22-R26 WeakPolarHBondContact O-CG 3.48Å; G22-R26 PolarHBondContact O-N 3.15Å; G22-R26 VanDerWaalsContact O-N 3.11Å
23	F	81.3	Confident	77.5	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-69.5	-46.5	176.9	-59.8	-48.3	0	0	0	112	L14 L19 M20 N25 R26 L27 I41 V43 I76 L79	L14-F23 HydrophobicContact CD2-CE2 4.2Å; L19-F23 HydrophobicContact CB-CE2 3.96Å; L19-F23 HydrophobicContact CB-CZ 4.26Å; L19-F23 WeakPolarHBondContact O-CD2 3.14Å; L19-F23 WeakPolarHBondContact O-CG 3.21Å; L19-F23 PolarHBondContact O-N 3.07Å; M20-F23 WeakPolarHBondContact O-CB 3.48Å; M20-F23 PolarHBondContact O-N 3.5Å; F23-N25 PolarHBondContact O-N 2.7Å; F23-R26 PolarHBondContact O-N 2.9Å; F23-L27 HydrophobicContact CB-CD1 4.41Å; F23-L27 WeakPolarHBondContact O-CB 3.33Å; F23-L27 VanDerWaalsContact O-CG 3.3Å; F23-L27 WeakPolarHBondContact O-CG 3.28Å; F23-L27 PolarHBondContact O-N 3.15Å; F23-I41 HydrophobicContact CD1-CG2 3.98Å; F23-I41 HydrophobicContact CE1-CG2 4.06Å; F23-V43 HydrophobicContact CE1-CG2 3.81Å; F23-V43 HydrophobicContact CZ-CB 4.31Å; F23-V43 HydrophobicContact CZ-CG1 4Å; F23-V43 HydrophobicContact CZ-CG2 3.74Å; F23-I76 HydrophobicContact CD2-CG1 4.36Å; F23-I76 HydrophobicContact CE1-CD1 4.47Å; F23-I76 HydrophobicContact CE2-CD1 4.5Å; F23-I76 HydrophobicContact CE2-CG1 4.48Å; F23-I76 HydrophobicContact CZ-CD1 4.39Å; F23-L79 HydrophobicContact CB-CD1 4.39Å; F23-L79 HydrophobicContact CD2-CD1 4.4Å
24	E	76.9	Confident	76.2	Confident	74 Å²	74	77.9 Å²	77.9	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-53.3	-37.5	175.5	-71.3	168	-168.8	0	0	112.2	M20 P28 V83	M20-E24 PolarHBondContact O-N 3.3Å; E24-P28 WeakPolarHBondContact O-CD 3.09Å; E24-P28 VanDerWaalsContact O-CG 3.28Å; E24-P28 WeakPolarHBondContact O-CG 3.08Å; E24-V83 HydrophobicContact CG-CG2 4.19Å
25	N	77.9	Confident	75.1	Confident	105 Å²	105	87.2 Å²	87.2	56%	0.561	40%	0.401	S	S	*	.	H	α-helix	trans	-79.6	-28.8	177.3	-75.8	-54.8	0	0	0	114	K21 F23 K29	K21-N25 WeakPolarHBondContact O-CB 3.14Å; K21-N25 PolarHBondContact O-N 2.97Å; K21-N25 PolarHBondContact O-ND2 3.12Å; F23-N25 PolarHBondContact O-N 2.7Å; N25-K29 WeakPolarHBondContact O-CG 3.15Å
26	R	78.6	Confident	74.1	Confident	116 Å²	116	87.9 Å²	87.9	44%	0.438	40%	0.398	S	S	.	.	H	α-helix	trans	-86.7	-35.4	-177.4	-76.8	176.4	-174.8	179.3	5.4	112.8	G22 F23 K29 T30	G22-R26 WeakPolarHBondContact O-CB 3.25Å; G22-R26 VanDerWaalsContact O-CG 3.22Å; G22-R26 WeakPolarHBondContact O-CG 3.48Å; G22-R26 PolarHBondContact O-N 3.15Å; G22-R26 VanDerWaalsContact O-N 3.11Å; F23-R26 PolarHBondContact O-N 2.9Å; R26-K29 PolarHBondContact O-N 2.93Å; R26-T30 WeakPolarHBondContact O-CB 3.33Å; R26-T30 PolarHBondContact O-N 3.47Å; R26-T30 PolarHBondContact O-OG1 3.03Å
27	L	78.5	Confident	73.5	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-56.6	-52.2	-178.1	-77.7	165.4	0	0	0	111.5	F23 K29 T30 F31 I41 I76 L79 A80 I85	F23-L27 HydrophobicContact CB-CD1 4.41Å; F23-L27 WeakPolarHBondContact O-CB 3.33Å; F23-L27 VanDerWaalsContact O-CG 3.3Å; F23-L27 WeakPolarHBondContact O-CG 3.28Å; F23-L27 PolarHBondContact O-N 3.15Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.29Å; L27-T30 PolarHBondContact O-N 3.15Å; L27-F31 HydrophobicContact CD2-CD2 4.47Å; L27-F31 HydrophobicContact CD2-CE2 4.09Å; L27-F31 WeakPolarHBondContact O-CD2 3.26Å; L27-F31 PolarHBondContact O-N 3.36Å; L27-F31 VanDerWaalsContact O-N 3.08Å; L27-I41 HydrophobicContact CD2-CD1 3.3Å; L27-I41 HydrophobicContact CG-CD1 4.3Å; L27-I76 HydrophobicContact CD1-CG2 4.41Å; L27-I76 HydrophobicContact CD2-CG2 4.18Å; L27-L79 HydrophobicContact CD1-CB 4.34Å; L27-A80 HydrophobicContact CD1-CB 4.15Å; L27-A80 HydrophobicContact CD2-CB 4.26Å; L27-I85 HydrophobicContact CB-CD1 3.46Å; L27-I85 VanDerWaalsContact CB-CD1 3.46Å
28	P	73.8	Confident	73.3	Confident	29 Å²	29	79.8 Å²	79.8	19%	0.188	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-41.8	179.2	-16.9	24.8	0	0	0	112.2	E24 R32 V83 I85	E24-P28 WeakPolarHBondContact O-CD 3.09Å; E24-P28 VanDerWaalsContact O-CG 3.28Å; E24-P28 WeakPolarHBondContact O-CG 3.08Å; P28-R32 WeakPolarHBondContact O-CB 3.37Å; P28-R32 VanDerWaalsContact O-CG 3.25Å; P28-R32 WeakPolarHBondContact O-CG 3.4Å; P28-R32 PolarHBondContact O-N 2.85Å; P28-V83 HydrophobicContact CG-CG1 4.23Å; P28-I85 HydrophobicContact CB-CD1 4.29Å; P28-I85 HydrophobicContact CG-CD1 3.9Å
29	K	74	Confident	73.2	Confident	123 Å²	123	76.6 Å²	76.6	54%	0.535	35%	0.348	S	S	.	.	H	α-helix	trans	-61.9	-47.2	179.2	-66.7	-177.6	-177.9	-176.3	0	110.9	N25 R26 L27 E33	N25-K29 WeakPolarHBondContact O-CG 3.15Å; R26-K29 PolarHBondContact O-N 2.93Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 3.29Å; K29-E33 WeakPolarHBondContact O-CB 3.47Å; K29-E33 WeakPolarHBondContact O-CG 3.39Å; K29-E33 PolarHBondContact O-N 2.72Å
30	T	69.9	Low	73.4	Confident	33 Å²	33	76.5 Å²	76.5	20%	0.202	35%	0.35	C	S	.	.	H	α-helix	trans	-71.9	-36.8	-173.1	-40.1	0	0	0	0	112.4	R26 L27 K34 C39	R26-T30 WeakPolarHBondContact O-CB 3.33Å; R26-T30 PolarHBondContact O-N 3.47Å; R26-T30 PolarHBondContact O-OG1 3.03Å; L27-T30 PolarHBondContact O-N 3.15Å; T30-K34 HydrophobicContact CG2-CD 4.35Å; T30-K34 WeakPolarHBondContact O-CB 3.35Å; T30-C39 WeakPolarHBondContact CG2-SG 3.43Å
31	F	71.1	Confident	73.7	Confident	30 Å²	30	75.7 Å²	75.7	13%	0.132	35%	0.346	C	S	.	.	H	α-helix	trans	-76.3	-46.2	175.8	-83.7	-85.6	0	0	0	112.5	L27 K35 C39 I85 L86 I95	L27-F31 HydrophobicContact CD2-CD2 4.47Å; L27-F31 HydrophobicContact CD2-CE2 4.09Å; L27-F31 WeakPolarHBondContact O-CD2 3.26Å; L27-F31 PolarHBondContact O-N 3.36Å; L27-F31 VanDerWaalsContact O-N 3.08Å; F31-K35 PolarHBondContact O-N 3.33Å; F31-C39 HydrophobicContact CD2-CB 4.18Å; F31-C39 HydrophobicContact CE1-CB 4.11Å; F31-C39 HydrophobicContact CE2-CB 3.56Å; F31-C39 HydrophobicContact CZ-CB 3.53Å; F31-I85 HydrophobicContact CB-CG2 3.96Å; F31-I85 HydrophobicContact CD1-CG2 4.23Å; F31-I85 HydrophobicContact CD2-CG2 3.63Å; F31-I85 HydrophobicContact CE2-CG2 4.12Å; F31-I85 HydrophobicContact CG-CG2 3.68Å; F31-L86 HydrophobicContact CE1-CD2 4.26Å; F31-L86 HydrophobicContact CZ-CD1 4.44Å; F31-L86 HydrophobicContact CZ-CD2 4.34Å; F31-I95 HydrophobicContact CZ-CG1 4.42Å
32	R	65.6	Low	74.2	Confident	202 Å²	202	70.3 Å²	70.3	76%	0.762	33%	0.325	S	S	*	.	H	α-helix	trans	-72.4	-42.2	-176.6	-66.3	-178.7	-179.4	179.5	2.2	113.1	P28	P28-R32 WeakPolarHBondContact O-CB 3.37Å; P28-R32 VanDerWaalsContact O-CG 3.25Å; P28-R32 WeakPolarHBondContact O-CG 3.4Å; P28-R32 PolarHBondContact O-N 2.85Å
33	E	57.8	Low	74.6	Confident	147 Å²	147	69.1 Å²	69.1	69%	0.687	31%	0.312	S	S	*	.	H	α-helix	trans	-71.9	-33.3	-176.5	-67.3	173.3	178.4	0	0	112.2	K29	K29-E33 WeakPolarHBondContact O-CB 3.47Å; K29-E33 WeakPolarHBondContact O-CG 3.39Å; K29-E33 PolarHBondContact O-N 2.72Å
34	K	58.4	Low	74.9	Confident	108 Å²	108	72.7 Å²	72.7	47%	0.47	33%	0.326	S	S	.	.	H	α-helix	trans	-98.8	-10.1	-171.4	-61.8	-175	176.4	174.3	0	114.4	T30 R36	T30-K34 HydrophobicContact CG2-CD 4.35Å; T30-K34 WeakPolarHBondContact O-CB 3.35Å; K34-R36 HydrophobicContact CB-CB 4.23Å; K34-R36 HydrophobicContact CB-CG 3.75Å; K34-R36 WeakPolarHBondContact O-CG 3.3Å; K34-R36 PolarHBondContact O-N 2.65Å; K34-R36 VanDerWaalsContact O-N 3.07Å
35	K	61.3	Low	75.4	Confident	196 Å²	196	69.2 Å²	69.2	85%	0.852	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	36.9	-170.8	-66.2	-174	177.8	-177.4	0	112.2	F31	F31-K35 PolarHBondContact O-N 3.33Å
36	R	65.3	Low	75.9	Confident	132 Å²	132	64.9 Å²	64.9	50%	0.498	29%	0.289	S	S	.	.			trans	-96	133.1	-175.9	-76.6	178.5	-172.5	-166.6	-0.9	109.7	K34 V38	K34-R36 HydrophobicContact CB-CB 4.23Å; K34-R36 HydrophobicContact CB-CG 3.75Å; K34-R36 WeakPolarHBondContact O-CG 3.3Å; K34-R36 PolarHBondContact O-N 2.65Å; K34-R36 VanDerWaalsContact O-N 3.07Å; R36-V38 WeakPolarHBondContact CB-O 3.45Å; R36-V38 PolarHBondContact O-N 3.39Å
37	L	72.1	Confident	76	Confident	73 Å²	73	59.4 Å²	59.4	38%	0.382	27%	0.268	S	S	.	.	S	Bend	trans	-71.6	-21.2	172.8	-66	164.3	0	0	0	112.3	L144 Y158 K188	L37-L144 HydrophobicContact CB-CD2 3.66Å; L37-L144 HydrophobicContact CD1-CD2 3.54Å; L37-L144 HydrophobicContact CG-CD2 4.26Å; L37-Y158 HydrophobicContact CD1-CD1 4.2Å; L37-Y158 HydrophobicContact CD1-CD2 3.61Å; L37-Y158 HydrophobicContact CD1-CE1 4.07Å; L37-Y158 HydrophobicContact CD1-CE2 3.48Å; L37-Y158 VanDerWaalsContact CD1-CE2 3.48Å; L37-Y158 HydrophobicContact CD1-CG 3.97Å; L37-Y158 HydrophobicContact CD2-CD2 3.83Å; L37-Y158 HydrophobicContact CD2-CE2 3.87Å; L37-Y158 HydrophobicContact CG-CD2 4.3Å; L37-Y158 HydrophobicContact CG-CE2 4.33Å; L37-K188 HydrophobicContact CD1-CD 4.01Å
38	V	79.2	Confident	76.1	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.042	28%	0.283	C	S	.	.	S	Bend	trans	-127.4	128.4	177.9	-171.7	0	0	0	0	109.8	R36 S94 I96 A142 L144 I160 L190	R36-V38 WeakPolarHBondContact CB-O 3.45Å; R36-V38 PolarHBondContact O-N 3.39Å; V38-S94 WeakPolarHBondContact CA-O 3.49Å; V38-I96 HydrophobicContact CG1-CD1 3.51Å; V38-I96 HydrophobicContact CG1-CG1 3.95Å; V38-A142 HydrophobicContact CG1-CB 4.34Å; V38-L144 HydrophobicContact CG2-CD1 3.85Å; V38-L144 HydrophobicContact CG2-CD2 4.19Å; V38-L144 HydrophobicContact CG2-CG 4.16Å; V38-I160 HydrophobicContact CG1-CG2 4.48Å; V38-I160 HydrophobicContact CG2-CD1 3.91Å; V38-I160 HydrophobicContact CG2-CG1 4.07Å; V38-I160 HydrophobicContact CG2-CG2 3.71Å; V38-L190 HydrophobicContact CG1-CD2 4.09Å
39	C	80.1	Confident	76.6	Confident	4 Å²	4	63.3 Å²	63.3	3%	0.027	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.8	-178.7	-174.1	0	0	0	0	110.7	T30 F31 S94 I96	T30-C39 WeakPolarHBondContact CG2-SG 3.43Å; F31-C39 HydrophobicContact CD2-CB 4.18Å; F31-C39 HydrophobicContact CE1-CB 4.11Å; F31-C39 HydrophobicContact CE2-CB 3.56Å; F31-C39 HydrophobicContact CZ-CB 3.53Å; C39-S94 PolarHBondContact N-O 3.27Å; C39-I96 PolarHBondContact O-N 3.03Å
40	T	82.8	Confident	77	Confident	37 Å²	37	57.5 Å²	57.5	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.5	168.1	-56.1	0	0	0	0	109.2	I96 E98 K141	T40-I96 CarbonylContact C-O 3.58Å; T40-I96 WeakPolarHBondContact CA-O 3.47Å; T40-I96 HydrophobicContact CG2-CG2 4.4Å; T40-E98 HydrophobicContact CG2-CB 3.99Å; T40-E98 WeakPolarHBondContact CG2-OE2 3.36Å; T40-K141 VanDerWaalsContact CG2-NZ 3.35Å
41	I	85.8	Confident	77.4	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	110.2	-176.8	-58.7	177.5	0	0	0	108.7	F23 L27 V43 I76 I95 I96 E98	F23-I41 HydrophobicContact CD1-CG2 3.98Å; F23-I41 HydrophobicContact CE1-CG2 4.06Å; L27-I41 HydrophobicContact CD2-CD1 3.3Å; L27-I41 HydrophobicContact CG-CD1 4.3Å; I41-V43 HydrophobicContact CG2-CG2 4.44Å; I41-V43 PolarHBondContact O-N 3.17Å; I41-I76 HydrophobicContact CD1-CG2 3.62Å; I41-I95 HydrophobicContact CD1-CG2 3.71Å; I41-I95 HydrophobicContact CG1-CG2 4.35Å; I41-I96 PolarHBondContact N-O 2.9Å; I41-E98 PolarHBondContact O-N 3.42Å
42	P	86.7	Confident	77.8	Confident	23 Å²	23	62 Å²	62	15%	0.149	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.4	173.8	29.7	-32.6	0	0	0	110.4	Y44 E98 I100	P42-Y44 HydrophobicContact CB-CE2 3.96Å; P42-Y44 HydrophobicContact CG-CE2 4.28Å; P42-E98 CarbonylContact C-O 3.6Å; P42-E98 VanDerWaalsContact CA-O 3.3Å; P42-E98 WeakPolarHBondContact CA-O 3.35Å; P42-I100 HydrophobicContact CB-CD1 4.14Å
43	V	88.8	Confident	78.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	109.2	179	176.2	0	0	0	0	108.1	F23 I41 L45 L72 I76 V97 E98 I100	F23-V43 HydrophobicContact CE1-CG2 3.81Å; F23-V43 HydrophobicContact CZ-CB 4.31Å; F23-V43 HydrophobicContact CZ-CG1 4Å; F23-V43 HydrophobicContact CZ-CG2 3.74Å; I41-V43 HydrophobicContact CG2-CG2 4.44Å; I41-V43 PolarHBondContact O-N 3.17Å; V43-L45 HydrophobicContact CG1-CD1 4.38Å; V43-L45 HydrophobicContact CG1-CD2 3.65Å; V43-L45 HydrophobicContact CG1-CG 3.89Å; V43-L72 HydrophobicContact CG1-CD1 4.46Å; V43-I76 HydrophobicContact CG2-CD1 3.69Å; V43-V97 HydrophobicContact CB-CG1 4.25Å; V43-V97 HydrophobicContact CG2-CG1 3.66Å; V43-E98 PolarHBondContact N-O 3.06Å; V43-I100 PolarHBondContact O-N 2.88Å
44	Y	88.8	Confident	79.1	Confident	80 Å²	80	48.8 Å²	48.8	31%	0.314	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.6	178.8	-62.7	-90.7	0	0	0	109	P42 I100 T102 K223	P42-Y44 HydrophobicContact CB-CE2 3.96Å; P42-Y44 HydrophobicContact CG-CE2 4.28Å; Y44-I100 CarbonylContact C-O 3.59Å; Y44-I100 VanDerWaalsContact CA-O 3.3Å; Y44-I100 WeakPolarHBondContact CA-O 3.2Å; Y44-I100 HydrophobicContact CD1-CB 3.92Å; Y44-I100 HydrophobicContact CD1-CD1 4.42Å; Y44-I100 HydrophobicContact CD1-CG2 3.82Å; Y44-I100 HydrophobicContact CE1-CB 4.09Å; Y44-I100 HydrophobicContact CE1-CD1 3.77Å; Y44-I100 HydrophobicContact CE1-CG2 3.88Å; Y44-T102 HydrophobicContact CD1-CG2 4.27Å; Y44-K223 WeakPolarHBondContact OH-CD 3.31Å; Y44-K223 PolarHBondContact OH-NZ 2.84Å
45	L	87.9	Confident	79.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.5	179.9	-55.8	176.5	0	0	0	109.2	Y13 L14 L19 V43 L47 L50 L72 V99 I100 F101 T102	Y13-L45 HydrophobicContact CD1-CD2 4.39Å; Y13-L45 HydrophobicContact CE1-CD2 3.7Å; L14-L45 HydrophobicContact CD2-CD2 4.22Å; L19-L45 HydrophobicContact CD1-CD2 4.23Å; V43-L45 HydrophobicContact CG1-CD1 4.38Å; V43-L45 HydrophobicContact CG1-CD2 3.65Å; V43-L45 HydrophobicContact CG1-CG 3.89Å; L45-L47 PolarHBondContact O-N 3.41Å; L45-L50 HydrophobicContact CD1-CD2 4.23Å; L45-L72 HydrophobicContact CD1-CD1 4.12Å; L45-V99 HydrophobicContact CD1-CG1 3.8Å; L45-V99 HydrophobicContact CG-CG1 4.45Å; L45-I100 PolarHBondContact N-O 2.87Å; L45-F101 HydrophobicContact CB-CD1 4.02Å; L45-F101 HydrophobicContact CB-CE1 4.16Å; L45-F101 HydrophobicContact CD1-CE1 4.18Å; L45-F101 WeakPolarHBondContact O-CA 3.12Å; L45-T102 PolarHBondContact O-N 3.37Å; L45-T102 PolarHBondContact O-OG1 2.87Å
46	A	86.7	Confident	79.7	Confident	14 Å²	14	40.8 Å²	40.8	12%	0.116	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115	168.7	0	0	0	0	0	108.6	Y13 D49 L50 T102 D103	Y13-A46 PolarHBondContact OH-N 3.35Å; Y13-A46 PolarHBondContact OH-O 2.86Å; A46-D49 HydrophobicContact CB-CB 4.1Å; A46-D49 WeakPolarHBondContact CB-OD2 3.43Å; A46-L50 VanDerWaalsContact O-CB 3.3Å; A46-L50 WeakPolarHBondContact O-CB 3.48Å; A46-L50 PolarHBondContact O-N 3.21Å; A46-T102 CarbonylContact C-O 3.53Å; A46-T102 WeakPolarHBondContact CA-O 3.36Å; A46-D103 HydrophobicContact CB-CB 4.31Å
47	L	82.4	Confident	79.4	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-42.1	-171.5	-179.8	59.5	0	0	0	111.2	L45 L50 L51 F101 T102 I104 I110 L123 V125	L45-L47 PolarHBondContact O-N 3.41Å; L47-L50 PolarHBondContact O-N 3.29Å; L47-L51 HydrophobicContact CD1-CD1 3.89Å; L47-L51 HydrophobicContact CD1-CG 4.16Å; L47-L51 HydrophobicContact CG-CD1 3.9Å; L47-L51 WeakPolarHBondContact O-CD1 3.46Å; L47-L51 WeakPolarHBondContact O-CG 3.38Å; L47-L51 PolarHBondContact O-N 2.97Å; L47-L51 VanDerWaalsContact O-N 3.14Å; L47-F101 HydrophobicContact CB-CB 4.48Å; L47-F101 HydrophobicContact CB-CD1 4.13Å; L47-F101 HydrophobicContact CD1-CD1 3.97Å; L47-F101 HydrophobicContact CD1-CE1 3.93Å; L47-F101 HydrophobicContact CD1-CZ 4.43Å; L47-T102 PolarHBondContact N-O 3.45Å; L47-I104 HydrophobicContact CD2-CG2 4.25Å; L47-I110 HydrophobicContact CD2-CD1 4.09Å; L47-L123 HydrophobicContact CD1-CD2 3.54Å; L47-V125 HydrophobicContact CD2-CG2 3.87Å
48	H	80.5	Confident	78.7	Confident	67 Å²	67	36.8 Å²	36.8	31%	0.31	21%	0.205	S	C	.	.	H	α-helix	trans	-56.4	-55.7	175.6	173.9	47.1	0	0	0	112.2	L50 L51 E52 D103 L105	H48-L50 VanDerWaalsContact C-N 3.32Å; H48-L50 PolarHBondContact O-N 3.06Å; H48-L51 PolarHBondContact O-N 2.96Å; H48-E52 PolarHBondContact O-N 3.23Å; H48-E52 VanDerWaalsContact O-N 3.09Å; H48-D103 PolarHBondContact N-O 3.39Å; H48-L105 HydrophobicContact CB-CD1 3.82Å; H48-L105 HydrophobicContact CB-CG 4.32Å
49	D	82.9	Confident	78	Confident	46 Å²	46	37.4 Å²	37.4	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-39.9	-178.9	-62.9	-23.6	0	0	0	112.2	Y13 H17 A46 L51 E52 E53	Y13-D49 HydrophobicContact CE2-CB 3.76Å; H17-D49 IonicContact CE1-OD2 2.74Å; H17-D49 PolarHBondContact CE1-OD2 2.75Å; H17-D49 IonicContact NE2-OD2 2.7Å; A46-D49 HydrophobicContact CB-CB 4.1Å; A46-D49 WeakPolarHBondContact CB-OD2 3.43Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3.08Å; D49-E52 PolarHBondContact O-N 2.71Å; D49-E53 PolarHBondContact O-N 2.87Å
50	L	82	Confident	77	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-40.3	179.1	-178.6	67	0	0	0	111.4	L10 Y13 L45 A46 L47 H48 L54 M62 F101	L10-L50 HydrophobicContact CD2-CD1 3.83Å; Y13-L50 HydrophobicContact CD1-CD1 4.27Å; Y13-L50 HydrophobicContact CD2-CD1 4.35Å; Y13-L50 HydrophobicContact CE1-CD1 4.47Å; Y13-L50 HydrophobicContact CE2-CB 4.21Å; Y13-L50 HydrophobicContact CG-CD1 4.22Å; L45-L50 HydrophobicContact CD1-CD2 4.23Å; A46-L50 VanDerWaalsContact O-CB 3.3Å; A46-L50 WeakPolarHBondContact O-CB 3.48Å; A46-L50 PolarHBondContact O-N 3.21Å; L47-L50 PolarHBondContact O-N 3.29Å; H48-L50 VanDerWaalsContact C-N 3.32Å; H48-L50 PolarHBondContact O-N 3.06Å; L50-L54 HydrophobicContact CD1-CD1 3.85Å; L50-L54 HydrophobicContact CD1-CG 4.38Å; L50-L54 HydrophobicContact CG-CD1 3.87Å; L50-L54 WeakPolarHBondContact O-CB 3.42Å; L50-L54 WeakPolarHBondContact O-CD1 3.26Å; L50-L54 WeakPolarHBondContact O-CG 2.9Å; L50-L54 PolarHBondContact O-N 2.69Å; L50-M62 HydrophobicContact CD2-CE 4.21Å; L50-F101 HydrophobicContact CD2-CE1 4.02Å
51	L	78.7	Confident	75.6	Confident	20 Å²	20	41 Å²	41	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-71.7	-36.4	179.6	-66	165.9	0	0	0	111.5	L47 H48 D49 G55 M59 I107 I110	L47-L51 HydrophobicContact CD1-CD1 3.89Å; L47-L51 HydrophobicContact CD1-CG 4.16Å; L47-L51 HydrophobicContact CG-CD1 3.9Å; L47-L51 WeakPolarHBondContact O-CD1 3.46Å; L47-L51 WeakPolarHBondContact O-CG 3.38Å; L47-L51 PolarHBondContact O-N 2.97Å; L47-L51 VanDerWaalsContact O-N 3.14Å; H48-L51 PolarHBondContact O-N 2.96Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3.08Å; L51-G55 PolarHBondContact O-N 2.91Å; L51-M59 HydrophobicContact CD2-CE 3.84Å; L51-M59 HydrophobicContact CD2-SD 3.39Å; L51-M59 WeakPolarHBondContact CD2-SD 3.44Å; L51-I107 HydrophobicContact CD1-CD1 3.26Å; L51-I110 HydrophobicContact CD1-CD1 3.72Å
52	E	79.7	Confident	74.2	Confident	138 Å²	138	41.5 Å²	41.5	65%	0.645	23%	0.234	S	C	*	.	H	α-helix	trans	-63.9	-47	175.1	-169.4	178.2	-179.4	0	0	111.7	H48 D49 L54 G55	H48-E52 PolarHBondContact O-N 3.23Å; H48-E52 VanDerWaalsContact O-N 3.09Å; D49-E52 PolarHBondContact O-N 2.71Å; E52-L54 PolarHBondContact O-N 3.28Å; E52-G55 PolarHBondContact O-N 3.36Å
53	E	76.9	Confident	72.9	Confident	64 Å²	64	44.8 Å²	44.8	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-67.9	-33.2	-178.6	-81.1	-75.2	-177.1	0	0	113.9	Y13 R16 D49 G55	Y13-E53 HydrophobicContact CD2-CB 4.39Å; Y13-E53 HydrophobicContact CD2-CG 4.16Å; R16-E53 WeakPolarHBondContact CD-OE1 3.3Å; R16-E53 IonicContact CZ-OE1 3.8Å; R16-E53 IonicContact NE-OE1 3.94Å; R16-E53 IonicContact NH1-OE1 3.12Å; R16-E53 PolarHBondContact NH1-OE1 3.33Å; D49-E53 PolarHBondContact O-N 2.87Å; E53-G55 VanDerWaalsContact C-N 3.33Å
54	L	73.3	Confident	72.2	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-77	-26	178.3	-69.2	171.5	0	0	0	111.9	L6 L50 E52 L58 M62	L6-L54 HydrophobicContact CD1-CD2 3.74Å; L50-L54 HydrophobicContact CD1-CD1 3.85Å; L50-L54 HydrophobicContact CD1-CG 4.38Å; L50-L54 HydrophobicContact CG-CD1 3.87Å; L50-L54 WeakPolarHBondContact O-CB 3.42Å; L50-L54 WeakPolarHBondContact O-CD1 3.26Å; L50-L54 WeakPolarHBondContact O-CG 2.9Å; L50-L54 PolarHBondContact O-N 2.69Å; E52-L54 PolarHBondContact O-N 3.28Å; L54-L58 HydrophobicContact CB-CB 4.13Å; L54-L58 HydrophobicContact CB-CD1 4.42Å; L54-L58 HydrophobicContact CD2-CD1 3.85Å; L54-L58 VanDerWaalsContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CD1 3.33Å; L54-M62 HydrophobicContact CD1-CE 3.98Å; L54-M62 HydrophobicContact CD1-CG 3.74Å; L54-M62 HydrophobicContact CD1-SD 3.03Å; L54-M62 WeakPolarHBondContact CD1-SD 3.21Å; L54-M62 HydrophobicContact CG-SD 4.45Å
55	G	68.4	Low	71.7	Confident	17 Å²	17	48.2 Å²	48.2	18%	0.175	26%	0.256	C	S	.	.	H	α-helix	trans	64.8	167.1	178.9	0	0	0	0	0	113.8	L51 E52 E53 S57 L58 M59	L51-G55 PolarHBondContact O-N 2.91Å; E52-G55 PolarHBondContact O-N 3.36Å; E53-G55 VanDerWaalsContact C-N 3.33Å; G55-S57 PolarHBondContact O-N 3.33Å; G55-L58 PolarHBondContact O-N 2.82Å; G55-M59 WeakPolarHBondContact O-CG 3.43Å; G55-M59 PolarHBondContact O-N 3.24Å
56	P	65.5	Low	71.4	Confident	119 Å²	119	50.8 Å²	50.8	77%	0.773	27%	0.274	S	S	*	.	H	α-helix	trans	-63.4	-19.3	-173.8	22.6	-32.4	0	0	0	114	P60	P56-P60 WeakPolarHBondContact O-CD 3.38Å
57	S	58.4	Low	71.2	Confident	96 Å²	96	53.4 Å²	53.4	67%	0.671	28%	0.283	S	S	*	.	H	α-helix	trans	-77.4	-30.4	179.6	59.3	0	0	0	0	113.6	G55	G55-S57 PolarHBondContact O-N 3.33Å
58	L	58.3	Low	71.2	Confident	26 Å²	26	53.7 Å²	53.7	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-92.3	-15.9	177.4	-68.8	168.6	0	0	0	112.7	L54 G55 P60 T61 M62	L54-L58 HydrophobicContact CB-CB 4.13Å; L54-L58 HydrophobicContact CB-CD1 4.42Å; L54-L58 HydrophobicContact CD2-CD1 3.85Å; L54-L58 VanDerWaalsContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CD1 3.33Å; G55-L58 PolarHBondContact O-N 2.82Å; L58-P60 VanDerWaalsContact C-N 3.34Å; L58-T61 WeakPolarHBondContact O-CA 3.27Å; L58-T61 WeakPolarHBondContact O-CB 3.49Å; L58-T61 PolarHBondContact O-N 2.95Å; L58-M62 PolarHBondContact O-N 3.06Å
59	M	62.6	Low	71.5	Confident	20 Å²	20	52.8 Å²	52.8	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-48.3	-45.2	176.4	-74.8	-67.5	-79.4	0	0	113.6	L51 G55 T61 M62 Y63 I110	L51-M59 HydrophobicContact CD2-CE 3.84Å; L51-M59 HydrophobicContact CD2-SD 3.39Å; L51-M59 WeakPolarHBondContact CD2-SD 3.44Å; G55-M59 WeakPolarHBondContact O-CG 3.43Å; G55-M59 PolarHBondContact O-N 3.24Å; M59-T61 VanDerWaalsContact C-N 3.26Å; M59-T61 PolarHBondContact O-N 3.45Å; M59-M62 PolarHBondContact O-N 3.36Å; M59-Y63 PolarHBondContact O-N 2.98Å; M59-I110 HydrophobicContact CE-CG2 4.25Å
60	P	60.8	Low	71.6	Confident	82 Å²	82	56.4 Å²	56.4	53%	0.532	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-29.5	176.6	-22.6	34.7	0	0	0	114.2	P56 L58 Y63	P56-P60 WeakPolarHBondContact O-CD 3.38Å; L58-P60 VanDerWaalsContact C-N 3.34Å; P60-Y63 VanDerWaalsContact CA-CD2 3.41Å; P60-Y63 HydrophobicContact CB-CD2 4.4Å; P60-Y63 WeakPolarHBondContact O-CD2 3.22Å
61	T	51.9	Low	71.9	Confident	33 Å²	33	56.5 Å²	56.5	20%	0.202	30%	0.295	C	S	.	.	H	α-helix	trans	-80.7	-29.8	-177.1	-43.7	0	0	0	0	111.1	M1 L58 M59 Y63	M1-T61 HydrophobicContact SD-CG2 4.25Å; L58-T61 WeakPolarHBondContact O-CA 3.27Å; L58-T61 WeakPolarHBondContact O-CB 3.49Å; L58-T61 PolarHBondContact O-N 2.95Å; M59-T61 VanDerWaalsContact C-N 3.26Å; M59-T61 PolarHBondContact O-N 3.45Å; T61-Y63 VanDerWaalsContact C-N 3.34Å
62	M	56.2	Low	72.3	Confident	19 Å²	19	55.6 Å²	55.6	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-73.9	-13.1	172.7	-91.1	-137.5	103.2	0	0	115.2	L50 L54 L58 M59 R64 L68	L50-M62 HydrophobicContact CD2-CE 4.21Å; L54-M62 HydrophobicContact CD1-CE 3.98Å; L54-M62 HydrophobicContact CD1-CG 3.74Å; L54-M62 HydrophobicContact CD1-SD 3.03Å; L54-M62 WeakPolarHBondContact CD1-SD 3.21Å; L54-M62 HydrophobicContact CG-SD 4.45Å; L58-M62 PolarHBondContact O-N 3.06Å; M59-M62 PolarHBondContact O-N 3.36Å; M62-R64 PolarHBondContact O-N 3.11Å; M62-L68 HydrophobicContact CE-CB 4.32Å; M62-L68 HydrophobicContact CE-CD1 3.8Å; M62-L68 HydrophobicContact CE-CD2 3.6Å; M62-L68 HydrophobicContact CE-CG 4.1Å
63	Y	60.5	Low	72.8	Confident	92 Å²	92	50.4 Å²	50.4	36%	0.361	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	4.7	172.1	-76.3	-55.4	0	0	0	114.3	M59 P60 T61 D121 C122	M59-Y63 PolarHBondContact O-N 2.98Å; P60-Y63 VanDerWaalsContact CA-CD2 3.41Å; P60-Y63 HydrophobicContact CB-CD2 4.4Å; P60-Y63 WeakPolarHBondContact O-CD2 3.22Å; T61-Y63 VanDerWaalsContact C-N 3.34Å; Y63-D121 CarbonylContact C-O 3.41Å; Y63-D121 CarbonylContact O-C 3.55Å; Y63-D121 VanDerWaalsContact O-C 3.26Å; Y63-C122 HydrophobicContact CD1-CB 3.9Å; Y63-C122 VanDerWaalsContact O-CA 3.3Å; Y63-C122 WeakPolarHBondContact O-CA 3.34Å; Y63-C122 PolarHBondContact O-N 3.49Å; Y63-C122 PolarHBondContact O-SG 2.81Å
64	R	73.2	Confident	73.4	Confident	148 Å²	148	49.7 Å²	49.7	56%	0.558	26%	0.262	S	S	*	.			trans	-119.7	91.5	167.5	-67.5	-165.8	-174.4	172.7	4.1	110.3	M62 S66 K67 D121	M62-R64 PolarHBondContact O-N 3.11Å; R64-S66 PolarHBondContact O-N 3.18Å; R64-K67 HydrophobicContact CB-CD 4.08Å; R64-K67 HydrophobicContact CB-CG 4.08Å; R64-K67 WeakPolarHBondContact O-CB 3.24Å; R64-K67 PolarHBondContact O-N 3.19Å; R64-D121 WeakPolarHBondContact CA-O 3.38Å; R64-D121 WeakPolarHBondContact CA-OD2 3.43Å; R64-D121 WeakPolarHBondContact CB-OD2 3.47Å
65	F	80	Confident	74.1	Confident	4 Å²	4	50 Å²	50	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-35.9	178.7	-174.8	-93.8	0	0	0	112.4	K67 L68 E69 V99 F101 D121 L123 V239 Y256	F65-K67 PolarHBondContact O-N 3.32Å; F65-K67 VanDerWaalsContact O-N 3.11Å; F65-L68 HydrophobicContact CD2-CD2 4.27Å; F65-L68 HydrophobicContact CE2-CD2 4.11Å; F65-L68 WeakPolarHBondContact O-CB 3.29Å; F65-L68 PolarHBondContact O-N 2.93Å; F65-E69 HydrophobicContact CD1-CG 3.99Å; F65-E69 HydrophobicContact CE1-CG 3.45Å; F65-E69 VanDerWaalsContact CE1-CG 3.45Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.49Å; F65-E69 HydrophobicContact CZ-CG 4.04Å; F65-E69 PolarHBondContact O-N 3.03Å; F65-E69 VanDerWaalsContact O-N 3.13Å; F65-V99 HydrophobicContact CE2-CG1 4.38Å; F65-V99 HydrophobicContact CZ-CB 4.04Å; F65-V99 HydrophobicContact CZ-CG1 4.18Å; F65-V99 HydrophobicContact CZ-CG2 4.35Å; F65-F101 HydrophobicContact CD2-CE2 4.38Å; F65-F101 HydrophobicContact CD2-CZ 4.43Å; F65-F101 AromaticContact CE2-CE2 3.56Å; F65-F101 HydrophobicContact CE2-CE2 3.56Å; F65-F101 AromaticContact CE2-CZ 3.7Å; F65-F101 HydrophobicContact CE2-CZ 3.7Å; F65-F101 HydrophobicContact CZ-CE2 4.35Å; F65-D121 PolarHBondContact N-O 3.47Å; F65-L123 HydrophobicContact CD2-CD1 4.42Å; F65-V239 HydrophobicContact CB-CG2 3.48Å; F65-V239 VanDerWaalsContact CB-CG2 3.48Å; F65-V239 HydrophobicContact CD1-CG2 3.79Å; F65-V239 HydrophobicContact CD2-CG2 3.94Å; F65-V239 HydrophobicContact CG-CG2 3.44Å; F65-V239 VanDerWaalsContact CG-CG2 3.44Å; F65-Y256 AromaticContact CD1-CE2 3.75Å; F65-Y256 HydrophobicContact CD1-CE2 3.75Å; F65-Y256 AromaticContact CD1-CZ 3.78Å; F65-Y256 HydrophobicContact CE1-CD1 4.04Å; F65-Y256 AromaticContact CE1-CD2 3.86Å; F65-Y256 HydrophobicContact CE1-CD2 3.86Å; F65-Y256 AromaticContact CE1-CE1 3.47Å; F65-Y256 HydrophobicContact CE1-CE1 3.47Å; F65-Y256 VanDerWaalsContact CE1-CE1 3.47Å; F65-Y256 AromaticContact CE1-CE2 3.27Å; F65-Y256 HydrophobicContact CE1-CE2 3.27Å; F65-Y256 HydrophobicContact CE1-CG 4.22Å; F65-Y256 AromaticContact CE1-CZ 3.03Å; F65-Y256 WeakPolarHBondContact CE1-OH 3.03Å; F65-Y256 HydrophobicContact CE2-CD2 4.14Å; F65-Y256 HydrophobicContact CE2-CE2 4.3Å; F65-Y256 HydrophobicContact CE2-CG 4.38Å; F65-Y256 HydrophobicContact CG-CE2 4.43Å; F65-Y256 AromaticContact CZ-CD1 3.73Å; F65-Y256 HydrophobicContact CZ-CD1 3.73Å; F65-Y256 AromaticContact CZ-CD2 3.64Å; F65-Y256 HydrophobicContact CZ-CD2 3.64Å; F65-Y256 AromaticContact CZ-CE1 3.65Å; F65-Y256 HydrophobicContact CZ-CE1 3.65Å; F65-Y256 AromaticContact CZ-CE2 3.58Å; F65-Y256 HydrophobicContact CZ-CE2 3.58Å; F65-Y256 AromaticContact CZ-CG 3.72Å; F65-Y256 HydrophobicContact CZ-CG 3.72Å; F65-Y256 AromaticContact CZ-CZ 3.57Å
66	S	80.9	Confident	75	Confident	55 Å²	55	49.1 Å²	49.1	39%	0.385	26%	0.255	S	S	.	.	H	α-helix	trans	-54.1	-31	174.6	62.4	0	0	0	0	114.3	R64 K70 D121	R64-S66 PolarHBondContact O-N 3.18Å; S66-K70 PolarHBondContact O-N 3.24Å; S66-D121 WeakPolarHBondContact CB-OD2 3.43Å; S66-D121 PolarHBondContact N-OD1 2.94Å; S66-D121 VanDerWaalsContact N-OD1 3.09Å; S66-D121 PolarHBondContact OG-OD2 3.15Å
67	K	82.4	Confident	76.2	Confident	69 Å²	69	44.5 Å²	44.5	30%	0.3	22%	0.223	S	C	.	.	H	α-helix	trans	-75.2	-37.6	176	-65.9	-177.6	178.2	175.4	0	111.9	R64 F65 K70 I71	R64-K67 HydrophobicContact CB-CD 4.08Å; R64-K67 HydrophobicContact CB-CG 4.08Å; R64-K67 WeakPolarHBondContact O-CB 3.24Å; R64-K67 PolarHBondContact O-N 3.19Å; F65-K67 PolarHBondContact O-N 3.32Å; F65-K67 VanDerWaalsContact O-N 3.11Å; K67-K70 PolarHBondContact O-N 2.89Å; K67-I71 VanDerWaalsContact O-CG1 3.26Å; K67-I71 WeakPolarHBondContact O-CG1 3.5Å; K67-I71 PolarHBondContact O-N 3.31Å
68	L	83.3	Confident	77.6	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-49	177.1	178.5	68.9	0	0	0	110.5	L10 M62 F65 K70 I71 L72 F101	L10-L68 HydrophobicContact CD1-CD1 3.67Å; L10-L68 HydrophobicContact CD2-CD1 3.71Å; L10-L68 HydrophobicContact CG-CD1 4.37Å; M62-L68 HydrophobicContact CE-CB 4.32Å; M62-L68 HydrophobicContact CE-CD1 3.8Å; M62-L68 HydrophobicContact CE-CD2 3.6Å; M62-L68 HydrophobicContact CE-CG 4.1Å; F65-L68 HydrophobicContact CD2-CD2 4.27Å; F65-L68 HydrophobicContact CE2-CD2 4.11Å; F65-L68 WeakPolarHBondContact O-CB 3.29Å; F65-L68 PolarHBondContact O-N 2.93Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.43Å; L68-I71 PolarHBondContact O-N 2.9Å; L68-L72 HydrophobicContact CD1-CD1 4.21Å; L68-L72 HydrophobicContact CD1-CG 4.34Å; L68-L72 HydrophobicContact CG-CD1 3.96Å; L68-L72 HydrophobicContact CG-CG 4.47Å; L68-L72 WeakPolarHBondContact O-CG 3.38Å; L68-L72 PolarHBondContact O-N 3.49Å; L68-F101 HydrophobicContact CD2-CZ 4.45Å
69	E	85.5	Confident	78.9	Confident	48 Å²	48	42.7 Å²	42.7	22%	0.224	21%	0.211	C	C	.	.	H	α-helix	trans	-55.8	-44.5	177.1	-73.5	-176.4	135.7	0	0	111.2	F65 L72 Q73 V99 K254 Y256	F65-E69 HydrophobicContact CD1-CG 3.99Å; F65-E69 HydrophobicContact CE1-CG 3.45Å; F65-E69 VanDerWaalsContact CE1-CG 3.45Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.49Å; F65-E69 HydrophobicContact CZ-CG 4.04Å; F65-E69 PolarHBondContact O-N 3.03Å; F65-E69 VanDerWaalsContact O-N 3.13Å; E69-L72 PolarHBondContact O-N 3.31Å; E69-Q73 WeakPolarHBondContact O-CB 3.35Å; E69-Q73 PolarHBondContact O-N 2.74Å; E69-V99 HydrophobicContact CG-CG2 4.17Å; E69-K254 IonicContact OE1-NZ 2.83Å; E69-Y256 PolarHBondContact OE1-OH 2.75Å
70	K	86.2	Confident	80	Confident	123 Å²	123	41.7 Å²	41.7	54%	0.535	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-44.2	178.8	-172.9	176.3	176.7	-177.1	0	112.7	S66 K67 L68 Q73 E74	S66-K70 PolarHBondContact O-N 3.24Å; K67-K70 PolarHBondContact O-N 2.89Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.43Å; K70-Q73 WeakPolarHBondContact O-CB 3.4Å; K70-Q73 PolarHBondContact O-N 2.74Å; K70-E74 WeakPolarHBondContact CE-OE1 3.31Å; K70-E74 IonicContact NZ-OE1 3.75Å; K70-E74 WeakPolarHBondContact O-CG 3.4Å; K70-E74 PolarHBondContact O-N 3Å
71	I	87.2	Confident	81.3	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-44.3	178.2	-69.5	164.9	0	0	0	110.6	L3 L6 Y7 L10 K67 L68 Q73 E74 I75	L3-I71 HydrophobicContact CD2-CD1 4.45Å; L6-I71 HydrophobicContact CD2-CD1 3.41Å; L6-I71 VanDerWaalsContact CD2-CD1 3.41Å; L6-I71 HydrophobicContact CG-CD1 3.95Å; Y7-I71 HydrophobicContact CD1-CG2 3.63Å; Y7-I71 HydrophobicContact CE1-CB 4.21Å; Y7-I71 HydrophobicContact CE1-CG1 4.09Å; Y7-I71 HydrophobicContact CE1-CG2 3.62Å; Y7-I71 HydrophobicContact CE2-CG1 4.2Å; Y7-I71 HydrophobicContact CG-CG2 4.22Å; L10-I71 HydrophobicContact CD1-CB 4.3Å; L10-I71 HydrophobicContact CD1-CD1 4.48Å; L10-I71 HydrophobicContact CD1-CG2 3.6Å; K67-I71 VanDerWaalsContact O-CG1 3.26Å; K67-I71 WeakPolarHBondContact O-CG1 3.5Å; K67-I71 PolarHBondContact O-N 3.31Å; L68-I71 PolarHBondContact O-N 2.9Å; I71-Q73 VanDerWaalsContact C-N 3.31Å; I71-Q73 PolarHBondContact O-N 3.5Å; I71-E74 PolarHBondContact O-N 2.83Å; I71-I75 HydrophobicContact CG2-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CG1 4.38Å; I71-I75 VanDerWaalsContact O-CG1 3.29Å; I71-I75 WeakPolarHBondContact O-CG1 3.42Å; I71-I75 PolarHBondContact O-N 3Å
72	L	88.2	Confident	82.9	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-39.9	176	-70.1	170.9	0	0	0	111.5	L14 V43 L45 L68 E69 I75 I76 V97 V99	L14-L72 HydrophobicContact CD1-CD2 4.11Å; V43-L72 HydrophobicContact CG1-CD1 4.46Å; L45-L72 HydrophobicContact CD1-CD1 4.12Å; L68-L72 HydrophobicContact CD1-CD1 4.21Å; L68-L72 HydrophobicContact CD1-CG 4.34Å; L68-L72 HydrophobicContact CG-CD1 3.96Å; L68-L72 HydrophobicContact CG-CG 4.47Å; L68-L72 WeakPolarHBondContact O-CG 3.38Å; L68-L72 PolarHBondContact O-N 3.49Å; E69-L72 PolarHBondContact O-N 3.31Å; L72-I75 PolarHBondContact O-N 2.91Å; L72-I76 WeakPolarHBondContact O-CB 3.46Å; L72-I76 WeakPolarHBondContact O-CD1 3.17Å; L72-I76 WeakPolarHBondContact O-CG1 3.32Å; L72-I76 PolarHBondContact O-N 3.34Å; L72-V97 HydrophobicContact CB-CG1 4.1Å; L72-V97 HydrophobicContact CD1-CG1 4.48Å; L72-V99 HydrophobicContact CD1-CG2 3.76Å
73	Q	89.7	Confident	84.2	Confident	28 Å²	28	45.2 Å²	45.2	13%	0.131	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-45.1	176	-171.9	-174.2	11.5	0	0	111.4	E69 K70 I71 I76 F77 I92 I95 V97	E69-Q73 WeakPolarHBondContact O-CB 3.35Å; E69-Q73 PolarHBondContact O-N 2.74Å; K70-Q73 WeakPolarHBondContact O-CB 3.4Å; K70-Q73 PolarHBondContact O-N 2.74Å; I71-Q73 VanDerWaalsContact C-N 3.31Å; I71-Q73 PolarHBondContact O-N 3.5Å; Q73-I76 PolarHBondContact O-N 3.32Å; Q73-F77 VanDerWaalsContact O-CB 3.24Å; Q73-F77 WeakPolarHBondContact O-CB 3.33Å; Q73-F77 PolarHBondContact O-N 3.43Å; Q73-I92 HydrophobicContact CG-CG1 4.17Å; Q73-I92 PolarHBondContact NE2-O 3.04Å; Q73-I95 PolarHBondContact NE2-O 2.47Å; Q73-V97 HydrophobicContact CB-CG2 3.84Å; Q73-V97 HydrophobicContact CG-CG2 4.32Å
74	E	89.1	Confident	85.2	Confident	49 Å²	49	48.1 Å²	48.1	23%	0.229	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-44.2	177.1	-73.1	172.1	-169.6	0	0	112.3	Y7 K70 I71 I76 F77 C78 I92	Y7-E74 PolarHBondContact OH-OE2 2.96Å; K70-E74 WeakPolarHBondContact CE-OE1 3.31Å; K70-E74 IonicContact NZ-OE1 3.75Å; K70-E74 WeakPolarHBondContact O-CG 3.4Å; K70-E74 PolarHBondContact O-N 3Å; I71-E74 PolarHBondContact O-N 2.83Å; E74-I76 PolarHBondContact O-N 2.86Å; E74-F77 PolarHBondContact O-N 3.47Å; E74-C78 PolarHBondContact O-N 2.93Å; E74-C78 PolarHBondContact O-SG 2.81Å; E74-I92 HydrophobicContact CB-CD1 4.37Å; E74-I92 HydrophobicContact CG-CD1 3.53Å
75	I	88.1	Confident	85.6	Confident	12 Å²	12	43 Å²	43	6%	0.062	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-47.9	176.5	-68.3	165.7	0	0	0	110.3	Y7 L10 I11 L14 M20 I71 L72 F77 C78 L79	Y7-I75 HydrophobicContact CD1-CD1 4.42Å; Y7-I75 HydrophobicContact CD1-CG1 4.3Å; L10-I75 HydrophobicContact CB-CD1 4.44Å; I11-I75 HydrophobicContact CG1-CD1 3.91Å; I11-I75 HydrophobicContact CG1-CG1 4.31Å; L14-I75 HydrophobicContact CD1-CD1 4.37Å; L14-I75 HydrophobicContact CD1-CG2 4.14Å; M20-I75 HydrophobicContact CE-CG2 4.33Å; M20-I75 HydrophobicContact SD-CG2 4.27Å; I71-I75 HydrophobicContact CG2-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CG1 4.38Å; I71-I75 VanDerWaalsContact O-CG1 3.29Å; I71-I75 WeakPolarHBondContact O-CG1 3.42Å; I71-I75 PolarHBondContact O-N 3Å; L72-I75 PolarHBondContact O-N 2.91Å; I75-F77 VanDerWaalsContact C-N 3.34Å; I75-F77 PolarHBondContact O-N 3.47Å; I75-C78 PolarHBondContact O-N 3.28Å; I75-L79 HydrophobicContact CG2-CD1 4.37Å; I75-L79 WeakPolarHBondContact O-CG 3.5Å; I75-L79 PolarHBondContact O-N 3.31Å
76	I	88.3	Confident	85.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.7	-33.3	-178.4	-63.3	166.5	0	0	0	111.4	F23 L27 I41 V43 L72 Q73 E74 L79 A80 I95 V97	F23-I76 HydrophobicContact CD2-CG1 4.36Å; F23-I76 HydrophobicContact CE1-CD1 4.47Å; F23-I76 HydrophobicContact CE2-CD1 4.5Å; F23-I76 HydrophobicContact CE2-CG1 4.48Å; F23-I76 HydrophobicContact CZ-CD1 4.39Å; L27-I76 HydrophobicContact CD1-CG2 4.41Å; L27-I76 HydrophobicContact CD2-CG2 4.18Å; I41-I76 HydrophobicContact CD1-CG2 3.62Å; V43-I76 HydrophobicContact CG2-CD1 3.69Å; L72-I76 WeakPolarHBondContact O-CB 3.46Å; L72-I76 WeakPolarHBondContact O-CD1 3.17Å; L72-I76 WeakPolarHBondContact O-CG1 3.32Å; L72-I76 PolarHBondContact O-N 3.34Å; Q73-I76 PolarHBondContact O-N 3.32Å; E74-I76 PolarHBondContact O-N 2.86Å; I76-L79 PolarHBondContact O-N 3.48Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 2.93Å; I76-I95 HydrophobicContact CG2-CD1 4.07Å; I76-I95 HydrophobicContact CG2-CG2 4.1Å; I76-V97 HydrophobicContact CD1-CG2 3.9Å
77	F	88.7	Confident	85.7	Confident	21 Å²	21	43.3 Å²	43.3	9%	0.092	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-46.8	172.6	-178	-94.5	0	0	0	111.5	Q73 E74 I75 L79 A80 V81 L86 D90 I92 I95	Q73-F77 VanDerWaalsContact O-CB 3.24Å; Q73-F77 WeakPolarHBondContact O-CB 3.33Å; Q73-F77 PolarHBondContact O-N 3.43Å; E74-F77 PolarHBondContact O-N 3.47Å; I75-F77 VanDerWaalsContact C-N 3.34Å; I75-F77 PolarHBondContact O-N 3.47Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 2.98Å; F77-A80 WeakPolarHBondContact O-CB 3.37Å; F77-A80 PolarHBondContact O-N 3.45Å; F77-V81 HydrophobicContact CD1-CG2 4.2Å; F77-V81 HydrophobicContact CE1-CG2 3.84Å; F77-V81 HydrophobicContact CZ-CG2 4.15Å; F77-V81 WeakPolarHBondContact O-CG2 3.46Å; F77-V81 PolarHBondContact O-N 2.99Å; F77-L86 HydrophobicContact CD2-CD1 3.7Å; F77-L86 HydrophobicContact CE2-CB 4.43Å; F77-L86 HydrophobicContact CE2-CD1 3.72Å; F77-D90 HydrophobicContact CE2-CB 4.4Å; F77-D90 WeakPolarHBondContact CZ-O 3.13Å; F77-I92 HydrophobicContact CB-CD1 4.38Å; F77-I92 HydrophobicContact CB-CG1 3.98Å; F77-I92 HydrophobicContact CD1-CG1 4.4Å; F77-I92 HydrophobicContact CD2-CB 4.23Å; F77-I92 HydrophobicContact CD2-CG1 4.01Å; F77-I92 HydrophobicContact CE2-CB 4.38Å; F77-I92 HydrophobicContact CG-CB 4.45Å; F77-I92 HydrophobicContact CG-CD1 4.44Å; F77-I92 HydrophobicContact CG-CG1 3.87Å; F77-I95 HydrophobicContact CB-CD1 4.19Å; F77-I95 HydrophobicContact CD2-CD1 4.29Å
78	C	88	Confident	85.6	Confident	76 Å²	76	49.6 Å²	49.6	51%	0.514	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-42	174.7	-69.8	0	0	0	0	112	E74 I75 A80 V81 E82	E74-C78 PolarHBondContact O-N 2.93Å; E74-C78 PolarHBondContact O-SG 2.81Å; I75-C78 PolarHBondContact O-N 3.28Å; C78-A80 VanDerWaalsContact C-N 3.34Å; C78-A80 PolarHBondContact O-N 2.87Å; C78-V81 PolarHBondContact O-N 3.25Å; C78-E82 PolarHBondContact O-N 3.25Å
79	L	86.5	Confident	85.3	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-38.3	173.9	-69.1	170.7	0	0	0	112.7	M20 F23 L27 I75 I76 F77 V81 E82 V83	M20-L79 HydrophobicContact CE-CD1 3.56Å; M20-L79 HydrophobicContact CE-CD2 3.58Å; M20-L79 HydrophobicContact CE-CG 3.95Å; M20-L79 HydrophobicContact SD-CD1 3.74Å; F23-L79 HydrophobicContact CB-CD1 4.39Å; F23-L79 HydrophobicContact CD2-CD1 4.4Å; L27-L79 HydrophobicContact CD1-CB 4.34Å; I75-L79 HydrophobicContact CG2-CD1 4.37Å; I75-L79 WeakPolarHBondContact O-CG 3.5Å; I75-L79 PolarHBondContact O-N 3.31Å; I76-L79 PolarHBondContact O-N 3.48Å; F77-L79 VanDerWaalsContact C-N 3.3Å; F77-L79 PolarHBondContact O-N 2.98Å; L79-V81 VanDerWaalsContact C-N 3.27Å; L79-V81 PolarHBondContact O-N 2.81Å; L79-E82 PolarHBondContact O-N 2.99Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.08Å; L79-V83 PolarHBondContact O-N 3.03Å
80	A	85.9	Confident	84.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-31.9	176.5	0	0	0	0	0	112.2	L27 I76 F77 C78 I85 L86 I95	L27-A80 HydrophobicContact CD1-CB 4.15Å; L27-A80 HydrophobicContact CD2-CB 4.26Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 2.93Å; F77-A80 WeakPolarHBondContact O-CB 3.37Å; F77-A80 PolarHBondContact O-N 3.45Å; C78-A80 VanDerWaalsContact C-N 3.34Å; C78-A80 PolarHBondContact O-N 2.87Å; A80-I85 WeakPolarHBondContact O-CB 3.42Å; A80-I85 PolarHBondContact O-N 2.97Å; A80-L86 HydrophobicContact CB-CB 4.32Å; A80-L86 HydrophobicContact CB-CD1 3.84Å; A80-L86 HydrophobicContact CB-CG 4.08Å; A80-L86 PolarHBondContact O-N 2.74Å; A80-L86 VanDerWaalsContact O-N 3.15Å; A80-I95 HydrophobicContact CB-CD1 3.93Å
81	V	87.4	Confident	84.6	Confident	10 Å²	10	54 Å²	54	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-71	-42.5	172.4	177.5	0	0	0	0	111.3	F77 C78 L79 V83 D84 L86 Y88	F77-V81 HydrophobicContact CD1-CG2 4.2Å; F77-V81 HydrophobicContact CE1-CG2 3.84Å; F77-V81 HydrophobicContact CZ-CG2 4.15Å; F77-V81 WeakPolarHBondContact O-CG2 3.46Å; F77-V81 PolarHBondContact O-N 2.99Å; C78-V81 PolarHBondContact O-N 3.25Å; L79-V81 VanDerWaalsContact C-N 3.27Å; L79-V81 PolarHBondContact O-N 2.81Å; V81-V83 VanDerWaalsContact C-N 3.28Å; V81-V83 PolarHBondContact O-N 3.02Å; V81-D84 PolarHBondContact O-N 2.59Å; V81-D84 VanDerWaalsContact O-N 3.15Å; V81-L86 WeakPolarHBondContact CA-O 3.46Å; V81-L86 HydrophobicContact CG2-CB 4.22Å; V81-Y88 HydrophobicContact CG1-CD1 4.06Å; V81-Y88 HydrophobicContact CG1-CD2 3.75Å; V81-Y88 HydrophobicContact CG1-CE1 3.82Å; V81-Y88 HydrophobicContact CG1-CE2 3.49Å; V81-Y88 VanDerWaalsContact CG1-CE2 3.49Å; V81-Y88 HydrophobicContact CG1-CG 4.03Å
82	E	85.5	Confident	84.4	Confident	146 Å²	146	56.3 Å²	56.3	68%	0.682	29%	0.289	S	S	*	.	H	α-helix	trans	-63.7	-32	177.7	-172.3	175.6	-178	0	0	113.2	C78 L79 D84	C78-E82 PolarHBondContact O-N 3.25Å; L79-E82 PolarHBondContact O-N 2.99Å; E82-D84 VanDerWaalsContact C-N 3.28Å; E82-D84 PolarHBondContact O-N 3.27Å
83	V	83.7	Confident	84.2	Confident	52 Å²	52	58.4 Å²	58.4	32%	0.315	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	10.7	178.3	-175.6	0	0	0	0	112.4	E24 P28 L79 V81 I85	E24-V83 HydrophobicContact CG-CG2 4.19Å; P28-V83 HydrophobicContact CG-CG1 4.23Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.08Å; L79-V83 PolarHBondContact O-N 3.03Å; V81-V83 VanDerWaalsContact C-N 3.28Å; V81-V83 PolarHBondContact O-N 3.02Å; V83-I85 VanDerWaalsContact C-N 3.27Å; V83-I85 HydrophobicContact CB-CD1 4.22Å; V83-I85 HydrophobicContact CB-CG1 4.41Å; V83-I85 HydrophobicContact CG1-CD1 3.89Å; V83-I85 HydrophobicContact CG1-CG1 4.18Å; V83-I85 PolarHBondContact O-N 2.93Å
84	D	81.5	Confident	83.9	Confident	152 Å²	152	57.3 Å²	57.3	81%	0.813	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.2	-178.9	-70.3	-34	0	0	0	113.9	V81 E82	V81-D84 PolarHBondContact O-N 2.59Å; V81-D84 VanDerWaalsContact O-N 3.15Å; E82-D84 VanDerWaalsContact C-N 3.28Å; E82-D84 PolarHBondContact O-N 3.27Å
85	I	81	Confident	83.8	Confident	40 Å²	40	55 Å²	55	21%	0.205	29%	0.285	C	S	.	.	S	Bend	trans	-95.1	-40.7	175.3	-62.9	169	0	0	0	110.8	L27 P28 F31 A80 V83	L27-I85 HydrophobicContact CB-CD1 3.46Å; L27-I85 VanDerWaalsContact CB-CD1 3.46Å; P28-I85 HydrophobicContact CB-CD1 4.29Å; P28-I85 HydrophobicContact CG-CD1 3.9Å; F31-I85 HydrophobicContact CB-CG2 3.96Å; F31-I85 HydrophobicContact CD1-CG2 4.23Å; F31-I85 HydrophobicContact CD2-CG2 3.63Å; F31-I85 HydrophobicContact CE2-CG2 4.12Å; F31-I85 HydrophobicContact CG-CG2 3.68Å; A80-I85 WeakPolarHBondContact O-CB 3.42Å; A80-I85 PolarHBondContact O-N 2.97Å; V83-I85 VanDerWaalsContact C-N 3.27Å; V83-I85 HydrophobicContact CB-CD1 4.22Å; V83-I85 HydrophobicContact CB-CG1 4.41Å; V83-I85 HydrophobicContact CG1-CD1 3.89Å; V83-I85 HydrophobicContact CG1-CG1 4.18Å; V83-I85 PolarHBondContact O-N 2.93Å
86	L	82.6	Confident	83.6	Confident	18 Å²	18	55.1 Å²	55.1	9%	0.094	29%	0.286	C	S	.	.	S	Bend	trans	-119.3	158.4	174.4	-63.4	177.1	0	0	0	109	F31 F77 A80 V81 D90 S94 I95	F31-L86 HydrophobicContact CE1-CD2 4.26Å; F31-L86 HydrophobicContact CZ-CD1 4.44Å; F31-L86 HydrophobicContact CZ-CD2 4.34Å; F77-L86 HydrophobicContact CD2-CD1 3.7Å; F77-L86 HydrophobicContact CE2-CB 4.43Å; F77-L86 HydrophobicContact CE2-CD1 3.72Å; A80-L86 HydrophobicContact CB-CB 4.32Å; A80-L86 HydrophobicContact CB-CD1 3.84Å; A80-L86 HydrophobicContact CB-CG 4.08Å; A80-L86 PolarHBondContact O-N 2.74Å; A80-L86 VanDerWaalsContact O-N 3.15Å; V81-L86 WeakPolarHBondContact CA-O 3.46Å; V81-L86 HydrophobicContact CG2-CB 4.22Å; L86-D90 WeakPolarHBondContact CA-OD2 3.5Å; L86-D90 HydrophobicContact CB-CB 4.33Å; L86-D90 HydrophobicContact CD2-CB 4.23Å; L86-S94 WeakPolarHBondContact CD1-OG 3.4Å; L86-I95 HydrophobicContact CD1-CD1 3.82Å; L86-I95 HydrophobicContact CD1-CG1 4Å
87	S	80.7	Confident	83.6	Confident	49 Å²	49	55.9 Å²	55.9	34%	0.343	29%	0.29	S	S	.	.			trans	-100.7	162.7	170.6	66.2	0	0	0	0	110.1	D89 D90	S87-D89 PolarHBondContact O-N 2.65Å; S87-D89 VanDerWaalsContact O-N 3.15Å; S87-D89 PolarHBondContact OG-N 2.75Å; S87-D90 PolarHBondContact N-OD2 3.32Å; S87-D90 WeakPolarHBondContact O-CB 3.29Å; S87-D90 PolarHBondContact O-N 2.79Å; S87-D90 VanDerWaalsContact O-N 3.12Å; S87-D90 VanDerWaalsContact OG-CG 3.28Å; S87-D90 PolarHBondContact OG-N 2.84Å; S87-D90 PolarHBondContact OG-OD2 3.03Å
88	Y	80	Confident	83.5	Confident	200 Å²	200	56.2 Å²	56.2	78%	0.784	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.9	172.1	-71.4	-76	0	0	0	113.3	V81	V81-Y88 HydrophobicContact CG1-CD1 4.06Å; V81-Y88 HydrophobicContact CG1-CD2 3.75Å; V81-Y88 HydrophobicContact CG1-CE1 3.82Å; V81-Y88 HydrophobicContact CG1-CE2 3.49Å; V81-Y88 VanDerWaalsContact CG1-CE2 3.49Å; V81-Y88 HydrophobicContact CG1-CG 4.03Å
89	D	76.7	Confident	83.5	Confident	157 Å²	157	52.7 Å²	52.7	84%	0.84	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.5	179.4	-65.3	-38.1	0	0	0	113.1	S87	S87-D89 PolarHBondContact O-N 2.65Å; S87-D89 VanDerWaalsContact O-N 3.15Å; S87-D89 PolarHBondContact OG-N 2.75Å
90	D	77.8	Confident	83.7	Confident	71 Å²	71	52.5 Å²	52.5	38%	0.38	27%	0.267	S	S	.	.	S	Bend	trans	-69.6	150.9	178.8	-74.2	-51.8	0	0	0	112	F77 L86 S87 I92	F77-D90 HydrophobicContact CE2-CB 4.4Å; F77-D90 WeakPolarHBondContact CZ-O 3.13Å; L86-D90 WeakPolarHBondContact CA-OD2 3.5Å; L86-D90 HydrophobicContact CB-CB 4.33Å; L86-D90 HydrophobicContact CD2-CB 4.23Å; S87-D90 PolarHBondContact N-OD2 3.32Å; S87-D90 WeakPolarHBondContact O-CB 3.29Å; S87-D90 PolarHBondContact O-N 2.79Å; S87-D90 VanDerWaalsContact O-N 3.12Å; S87-D90 VanDerWaalsContact OG-CG 3.28Å; S87-D90 PolarHBondContact OG-N 2.84Å; S87-D90 PolarHBondContact OG-OD2 3.03Å; D90-I92 PolarHBondContact O-N 3.01Å
91	D	79.8	Confident	83.8	Confident	42 Å²	42	52.5 Å²	52.5	23%	0.225	27%	0.267	C	S	.	.			trans	-68.9	124.5	176.3	-169	-13.2	0	0	0	109.7	N93 S94 I160	D91-N93 PolarHBondContact O-N 3.47Å; D91-N93 WeakPolarHBondContact OD1-CB 3.22Å; D91-N93 PolarHBondContact OD1-N 2.91Å; D91-N93 PolarHBondContact OD1-ND2 2.83Å; D91-S94 WeakPolarHBondContact O-CB 3.28Å; D91-S94 PolarHBondContact O-N 2.93Å; D91-S94 PolarHBondContact O-OG 2.96Å; D91-I160 PolarHBondContact OD2-N 3.17Å
92	I	84.1	Confident	83.8	Confident	51 Å²	51	54 Å²	54	26%	0.262	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-55	-25.5	174	-164.9	167.6	0	0	0	112.4	Q73 E74 F77 D90 S94 I95	Q73-I92 HydrophobicContact CG-CG1 4.17Å; Q73-I92 PolarHBondContact NE2-O 3.04Å; E74-I92 HydrophobicContact CB-CD1 4.37Å; E74-I92 HydrophobicContact CG-CD1 3.53Å; F77-I92 HydrophobicContact CB-CD1 4.38Å; F77-I92 HydrophobicContact CB-CG1 3.98Å; F77-I92 HydrophobicContact CD1-CG1 4.4Å; F77-I92 HydrophobicContact CD2-CB 4.23Å; F77-I92 HydrophobicContact CD2-CG1 4.01Å; F77-I92 HydrophobicContact CE2-CB 4.38Å; F77-I92 HydrophobicContact CG-CB 4.45Å; F77-I92 HydrophobicContact CG-CD1 4.44Å; F77-I92 HydrophobicContact CG-CG1 3.87Å; D90-I92 PolarHBondContact O-N 3.01Å; I92-S94 PolarHBondContact O-N 3.23Å; I92-I95 PolarHBondContact O-N 3.46Å
93	N	83.9	Confident	83.6	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.241	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-70.9	-4.4	175.5	-60.1	-46.3	0	0	0	113.6	D91 I95 I160 H162	D91-N93 PolarHBondContact O-N 3.47Å; D91-N93 WeakPolarHBondContact OD1-CB 3.22Å; D91-N93 PolarHBondContact OD1-N 2.91Å; D91-N93 PolarHBondContact OD1-ND2 2.83Å; N93-I95 PolarHBondContact O-N 2.91Å; N93-I160 HydrophobicContact CB-CB 3.93Å; N93-I160 HydrophobicContact CB-CG2 4.04Å; N93-I160 WeakPolarHBondContact CB-O 3.46Å; N93-I160 PolarHBondContact ND2-O 3.38Å; N93-I160 WeakPolarHBondContact O-CG2 3.43Å; N93-H162 PolarHBondContact O-NE2 3.44Å
94	S	83.2	Confident	83.3	Confident	5 Å²	5	47.9 Å²	47.9	4%	0.035	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.6	-23.5	166.1	59.5	0	0	0	0	112.9	V38 C39 L86 D91 I92	V38-S94 WeakPolarHBondContact CA-O 3.49Å; C39-S94 PolarHBondContact N-O 3.27Å; L86-S94 WeakPolarHBondContact CD1-OG 3.4Å; D91-S94 WeakPolarHBondContact O-CB 3.28Å; D91-S94 PolarHBondContact O-N 2.93Å; D91-S94 PolarHBondContact O-OG 2.96Å; I92-S94 PolarHBondContact O-N 3.23Å
95	I	85.4	Confident	82.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.7	177.8	-57.2	-176.1	0	0	0	110.2	F31 I41 Q73 I76 F77 A80 L86 I92 N93 V97	F31-I95 HydrophobicContact CZ-CG1 4.42Å; I41-I95 HydrophobicContact CD1-CG2 3.71Å; I41-I95 HydrophobicContact CG1-CG2 4.35Å; Q73-I95 PolarHBondContact NE2-O 2.47Å; I76-I95 HydrophobicContact CG2-CD1 4.07Å; I76-I95 HydrophobicContact CG2-CG2 4.1Å; F77-I95 HydrophobicContact CB-CD1 4.19Å; F77-I95 HydrophobicContact CD2-CD1 4.29Å; A80-I95 HydrophobicContact CB-CD1 3.93Å; L86-I95 HydrophobicContact CD1-CD1 3.82Å; L86-I95 HydrophobicContact CD1-CG1 4Å; I92-I95 PolarHBondContact O-N 3.46Å; N93-I95 PolarHBondContact O-N 2.91Å; I95-V97 HydrophobicContact CG2-CG2 4.29Å
96	I	85.5	Confident	82	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.072	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.3	170.1	-61.5	166.5	0	0	0	108.2	V38 C39 T40 I41 K141 A142 H162 L190	V38-I96 HydrophobicContact CG1-CD1 3.51Å; V38-I96 HydrophobicContact CG1-CG1 3.95Å; C39-I96 PolarHBondContact O-N 3.03Å; T40-I96 CarbonylContact C-O 3.58Å; T40-I96 WeakPolarHBondContact CA-O 3.47Å; T40-I96 HydrophobicContact CG2-CG2 4.4Å; I41-I96 PolarHBondContact N-O 2.9Å; I96-K141 HydrophobicContact CD1-CG 4.26Å; I96-A142 HydrophobicContact CD1-CB 3.88Å; I96-H162 VanDerWaalsContact CG1-CE1 3.49Å; I96-H162 WeakPolarHBondContact CG1-CE1 3.3Å; I96-H162 VanDerWaalsContact CG1-NE2 3.27Å; I96-H162 WeakPolarHBondContact CG1-NE2 3.34Å; I96-L190 HydrophobicContact CD1-CD2 3.59Å
97	V	86.6	Confident	81.2	Confident	16 Å²	16	46.1 Å²	46.1	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.8	175.3	-179.3	0	0	0	0	109.6	V43 L72 Q73 I76 I95 V99	V43-V97 HydrophobicContact CB-CG1 4.25Å; V43-V97 HydrophobicContact CG2-CG1 3.66Å; L72-V97 HydrophobicContact CB-CG1 4.1Å; L72-V97 HydrophobicContact CD1-CG1 4.48Å; Q73-V97 HydrophobicContact CB-CG2 3.84Å; Q73-V97 HydrophobicContact CG-CG2 4.32Å; I76-V97 HydrophobicContact CD1-CG2 3.9Å; I95-V97 HydrophobicContact CG2-CG2 4.29Å; V97-V99 HydrophobicContact CG1-CG2 3.89Å
98	E	87	Confident	80.5	Confident	28 Å²	28	48.8 Å²	48.8	13%	0.131	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	94.7	172.7	-175.8	177.9	150.9	0	0	108.7	T40 I41 P42 V43 I100 K141	T40-E98 HydrophobicContact CG2-CB 3.99Å; T40-E98 WeakPolarHBondContact CG2-OE2 3.36Å; I41-E98 PolarHBondContact O-N 3.42Å; P42-E98 CarbonylContact C-O 3.6Å; P42-E98 VanDerWaalsContact CA-O 3.3Å; P42-E98 WeakPolarHBondContact CA-O 3.35Å; V43-E98 PolarHBondContact N-O 3.06Å; E98-I100 HydrophobicContact CG-CG1 4.41Å; E98-I100 PolarHBondContact O-N 3.42Å; E98-K141 IonicContact OE2-NZ 2.85Å; E98-K141 PolarHBondContact OE2-NZ 2.9Å
99	V	88.6	Confident	79.6	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127	178.6	-177.8	0	0	0	0	109.5	L45 F65 E69 L72 V97 F101 Y256	L45-V99 HydrophobicContact CD1-CG1 3.8Å; L45-V99 HydrophobicContact CG-CG1 4.45Å; F65-V99 HydrophobicContact CE2-CG1 4.38Å; F65-V99 HydrophobicContact CZ-CB 4.04Å; F65-V99 HydrophobicContact CZ-CG1 4.18Å; F65-V99 HydrophobicContact CZ-CG2 4.35Å; E69-V99 HydrophobicContact CG-CG2 4.17Å; L72-V99 HydrophobicContact CD1-CG2 3.76Å; V97-V99 HydrophobicContact CG1-CG2 3.89Å; V99-F101 HydrophobicContact CG1-CE1 4.3Å; V99-F101 HydrophobicContact CG1-CE2 4.29Å; V99-F101 HydrophobicContact CG1-CZ 4.1Å; V99-Y256 WeakPolarHBondContact O-CD1 3.4Å
100	I	90.6	Very high	79.1	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.1	175.7	-60.9	174.4	0	0	0	108.1	P42 V43 Y44 L45 E98 K223 L224 Y256	P42-I100 HydrophobicContact CB-CD1 4.14Å; V43-I100 PolarHBondContact O-N 2.88Å; Y44-I100 CarbonylContact C-O 3.59Å; Y44-I100 VanDerWaalsContact CA-O 3.3Å; Y44-I100 WeakPolarHBondContact CA-O 3.2Å; Y44-I100 HydrophobicContact CD1-CB 3.92Å; Y44-I100 HydrophobicContact CD1-CD1 4.42Å; Y44-I100 HydrophobicContact CD1-CG2 3.82Å; Y44-I100 HydrophobicContact CE1-CB 4.09Å; Y44-I100 HydrophobicContact CE1-CD1 3.77Å; Y44-I100 HydrophobicContact CE1-CG2 3.88Å; L45-I100 PolarHBondContact N-O 2.87Å; E98-I100 HydrophobicContact CG-CG1 4.41Å; E98-I100 PolarHBondContact O-N 3.42Å; I100-K223 HydrophobicContact CD1-CD 4.4Å; I100-L224 HydrophobicContact CG2-CD2 4.16Å; I100-Y256 CarbonylContact C-O 3.56Å; I100-Y256 VanDerWaalsContact CA-O 3.28Å; I100-Y256 WeakPolarHBondContact CA-O 3.38Å
101	F	88.9	Confident	78.6	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.6	174.4	-69.1	-63.5	0	0	0	111.6	L45 L47 L50 F65 L68 V99 L123 S237 Y256	L45-F101 HydrophobicContact CB-CD1 4.02Å; L45-F101 HydrophobicContact CB-CE1 4.16Å; L45-F101 HydrophobicContact CD1-CE1 4.18Å; L45-F101 WeakPolarHBondContact O-CA 3.12Å; L47-F101 HydrophobicContact CB-CB 4.48Å; L47-F101 HydrophobicContact CB-CD1 4.13Å; L47-F101 HydrophobicContact CD1-CD1 3.97Å; L47-F101 HydrophobicContact CD1-CE1 3.93Å; L47-F101 HydrophobicContact CD1-CZ 4.43Å; L50-F101 HydrophobicContact CD2-CE1 4.02Å; F65-F101 HydrophobicContact CD2-CE2 4.38Å; F65-F101 HydrophobicContact CD2-CZ 4.43Å; F65-F101 AromaticContact CE2-CE2 3.56Å; F65-F101 HydrophobicContact CE2-CE2 3.56Å; F65-F101 AromaticContact CE2-CZ 3.7Å; F65-F101 HydrophobicContact CE2-CZ 3.7Å; F65-F101 HydrophobicContact CZ-CE2 4.35Å; L68-F101 HydrophobicContact CD2-CZ 4.45Å; V99-F101 HydrophobicContact CG1-CE1 4.3Å; V99-F101 HydrophobicContact CG1-CE2 4.29Å; V99-F101 HydrophobicContact CG1-CZ 4.1Å; F101-L123 HydrophobicContact CD2-CD1 4.15Å; F101-L123 HydrophobicContact CE1-CD2 4.43Å; F101-L123 HydrophobicContact CE2-CD1 3.5Å; F101-L123 VanDerWaalsContact CE2-CD1 3.5Å; F101-L123 HydrophobicContact CE2-CD2 3.91Å; F101-L123 HydrophobicContact CE2-CG 4.39Å; F101-L123 HydrophobicContact CZ-CD1 4.16Å; F101-L123 HydrophobicContact CZ-CD2 3.75Å; F101-S237 WeakPolarHBondContact CB-OG 3.37Å; F101-S237 WeakPolarHBondContact CD2-OG 3.42Å; F101-Y256 PolarHBondContact N-O 3.34Å
102	T	86	Confident	78	Confident	43 Å²	43	37 Å²	37	26%	0.264	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	168	170.3	57.6	0	0	0	0	109.2	Y44 L45 A46 L47 E259	Y44-T102 HydrophobicContact CD1-CG2 4.27Å; L45-T102 PolarHBondContact O-N 3.37Å; L45-T102 PolarHBondContact O-OG1 2.87Å; A46-T102 CarbonylContact C-O 3.53Å; A46-T102 WeakPolarHBondContact CA-O 3.36Å; L47-T102 PolarHBondContact N-O 3.45Å; T102-E259 VanDerWaalsContact C-OE1 3.31Å; T102-E259 VanDerWaalsContact CA-OE1 3.27Å; T102-E259 WeakPolarHBondContact CA-OE1 3.28Å
103	D	81.1	Confident	77	Confident	63 Å²	63	37.3 Å²	37.3	34%	0.337	20%	0.202	S	C	.	.	S	Bend	trans	51.1	59	-177.5	-163.3	26.4	0	0	0	112.7	A46 H48 L105 E259	A46-D103 HydrophobicContact CB-CB 4.31Å; H48-D103 PolarHBondContact N-O 3.39Å; D103-L105 PolarHBondContact O-N 3.5Å; D103-E259 WeakPolarHBondContact CA-OE2 3.06Å; D103-E259 VanDerWaalsContact N-CD 3.35Å; D103-E259 PolarHBondContact N-OE1 3.47Å; D103-E259 PolarHBondContact N-OE2 3.22Å
104	I	77.7	Confident	75.9	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.026	21%	0.205	C	C	.	.			trans	-83.9	91.8	-177.5	-53.5	174.6	0	0	0	108.2	L47 V125 F235 S237 G257 E259	L47-I104 HydrophobicContact CD2-CG2 4.25Å; I104-V125 HydrophobicContact CG2-CG1 3.68Å; I104-V125 HydrophobicContact CG2-CG2 4.04Å; I104-F235 HydrophobicContact CB-CB 4.38Å; I104-F235 HydrophobicContact CG2-CB 3.91Å; I104-S237 WeakPolarHBondContact CD1-OG 3.35Å; I104-G257 VanDerWaalsContact CD1-C 3.49Å; I104-E259 HydrophobicContact CB-CG 4.36Å; I104-E259 HydrophobicContact CD1-CB 4.41Å; I104-E259 HydrophobicContact CD1-CG 3.89Å; I104-E259 HydrophobicContact CG1-CG 4.04Å; I104-E259 PolarHBondContact N-OE2 3.29Å
105	L	69.4	Low	74.4	Confident	75 Å²	75	41.7 Å²	41.7	39%	0.393	23%	0.231	S	C	.	.			trans	-86.4	154.4	174.1	-61.4	179	0	0	0	112.5	H48 D103 I107	H48-L105 HydrophobicContact CB-CD1 3.82Å; H48-L105 HydrophobicContact CB-CG 4.32Å; D103-L105 PolarHBondContact O-N 3.5Å; L105-I107 VanDerWaalsContact C-N 3.33Å; L105-I107 HydrophobicContact CB-CG1 4.43Å; L105-I107 PolarHBondContact O-N 3.02Å
106	C	66.3	Low	72.9	Confident	67 Å²	67	49 Å²	49	45%	0.453	26%	0.26	S	S	.	.			trans	-69.4	85.5	170	-77.3	0	0	0	0	111.1	P108 F235	C106-P108 WeakPolarHBondContact O-CD 3.26Å; C106-F235 WeakPolarHBondContact SG-CE1 3.46Å; C106-F235 WeakPolarHBondContact SG-CZ 3.46Å
107	I	66	Low	71.9	Confident	31 Å²	31	57.6 Å²	57.6	16%	0.159	30%	0.297	C	S	.	.			trans	-94.5	114.6	173.6	-61.4	166.5	0	0	0	108	L51 L105 E109 I110 H111	L51-I107 HydrophobicContact CD1-CD1 3.26Å; L105-I107 VanDerWaalsContact C-N 3.33Å; L105-I107 HydrophobicContact CB-CG1 4.43Å; L105-I107 PolarHBondContact O-N 3.02Å; I107-E109 HydrophobicContact CG2-CB 4.34Å; I107-E109 PolarHBondContact O-N 3.15Å; I107-I110 HydrophobicContact CB-CD1 4.09Å; I107-I110 HydrophobicContact CB-CG1 3.91Å; I107-I110 HydrophobicContact CD1-CD1 4.31Å; I107-I110 HydrophobicContact CG2-CG1 4.31Å; I107-I110 WeakPolarHBondContact O-CG1 3.43Å; I107-I110 PolarHBondContact O-N 3.22Å; I107-H111 WeakPolarHBondContact O-CB 3.3Å; I107-H111 PolarHBondContact O-N 3.4Å
108	P	65.3	Low	71.3	Confident	105 Å²	105	58.2 Å²	58.2	68%	0.682	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.8	-172.3	-28.3	34.5	0	0	0	115.1	C106	C106-P108 WeakPolarHBondContact O-CD 3.26Å
109	E	61.9	Low	70.6	Confident	136 Å²	136	60.5 Å²	60.5	64%	0.636	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-32.6	-175.1	-61.6	169.7	170.9	0	0	113.5	I107	I107-E109 HydrophobicContact CG2-CB 4.34Å; I107-E109 PolarHBondContact O-N 3.15Å
110	I	65.9	Low	70.1	Confident	11 Å²	11	67.7 Å²	67.7	6%	0.056	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-7.8	178	62.1	179.2	0	0	0	111.9	L47 L51 M59 I107 T124 V125	L47-I110 HydrophobicContact CD2-CD1 4.09Å; L51-I110 HydrophobicContact CD1-CD1 3.72Å; M59-I110 HydrophobicContact CE-CG2 4.25Å; I107-I110 HydrophobicContact CB-CD1 4.09Å; I107-I110 HydrophobicContact CB-CG1 3.91Å; I107-I110 HydrophobicContact CD1-CD1 4.31Å; I107-I110 HydrophobicContact CG2-CG1 4.31Å; I107-I110 WeakPolarHBondContact O-CG1 3.43Å; I107-I110 PolarHBondContact O-N 3.22Å; I110-T124 WeakPolarHBondContact O-CA 3.49Å; I110-V125 HydrophobicContact CD1-CG2 3.59Å; I110-V125 HydrophobicContact CG1-CB 4.36Å; I110-V125 HydrophobicContact CG1-CG2 3.93Å; I110-V125 PolarHBondContact O-N 3.47Å
111	H	68.2	Low	69.5	Low	35 Å²	35	69.1 Å²	69.1	16%	0.162	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-73	130.4	-178.1	-168.3	-91.2	0	0	0	110.8	I107 N113 V125	I107-H111 WeakPolarHBondContact O-CB 3.3Å; I107-H111 PolarHBondContact O-N 3.4Å; H111-N113 PolarHBondContact ND1-OD1 2.91Å; H111-N113 VanDerWaalsContact ND1-OD1 3.14Å; H111-N113 PolarHBondContact O-N 2.87Å; H111-V125 WeakPolarHBondContact CA-O 3.29Å
112	Y	66.7	Low	69.2	Low	42 Å²	42	69.7 Å²	69.7	17%	0.165	36%	0.357	C	S	.	.			trans	-69.9	100	173.3	-178.1	-100.5	0	0	0	109.9	N114 Y116 F118 V125 I126 P201 I216	Y112-N114 WeakPolarHBondContact CE1-OD1 3.32Å; Y112-Y116 WeakPolarHBondContact CE2-O 3.46Å; Y112-F118 HydrophobicContact CD2-CD1 4.3Å; Y112-F118 AromaticContact CD2-CE1 3.72Å; Y112-F118 HydrophobicContact CD2-CE1 3.72Å; Y112-F118 HydrophobicContact CD2-CZ 4.15Å; Y112-F118 HydrophobicContact CE2-CD1 4.22Å; Y112-F118 AromaticContact CE2-CE1 3.72Å; Y112-F118 HydrophobicContact CE2-CE1 3.72Å; Y112-F118 HydrophobicContact CE2-CE2 4.33Å; Y112-F118 AromaticContact CE2-CZ 3.77Å; Y112-F118 HydrophobicContact CE2-CZ 3.77Å; Y112-V125 WeakPolarHBondContact CB-O 3.24Å; Y112-V125 PolarHBondContact N-O 2.81Å; Y112-I126 HydrophobicContact CD1-CG2 4.12Å; Y112-I126 HydrophobicContact CG-CD1 4.36Å; Y112-I126 HydrophobicContact CG-CG1 4.28Å; Y112-I126 HydrophobicContact CG-CG2 4.47Å; Y112-P201 HydrophobicContact CD1-CB 4.45Å; Y112-P201 HydrophobicContact CE1-CB 4.35Å; Y112-I216 HydrophobicContact CE1-CD1 4.32Å
113	N	62.9	Low	69.1	Low	56 Å²	56	68.3 Å²	68.3	30%	0.299	35%	0.348	S	S	.	.			trans	-84.8	134	161.5	-58.6	-16.6	0	0	0	106.9	H111 S115 Y116 E204	H111-N113 PolarHBondContact ND1-OD1 2.91Å; H111-N113 VanDerWaalsContact ND1-OD1 3.14Å; H111-N113 PolarHBondContact O-N 2.87Å; N113-S115 PolarHBondContact O-N 2.84Å; N113-Y116 HydrophobicContact CB-CD2 3.76Å; N113-Y116 HydrophobicContact CB-CE2 3.89Å; N113-Y116 PolarHBondContact O-N 2.85Å; N113-E204 WeakPolarHBondContact CB-OE1 3.38Å
114	N	60	Low	69.2	Low	58 Å²	58	66 Å²	66	31%	0.31	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-9.3	-173.2	-73.8	-50	0	0	0	114.1	Y112 K202 E204	Y112-N114 WeakPolarHBondContact CE1-OD1 3.32Å; N114-K202 PolarHBondContact ND2-O 3.21Å; N114-E204 PolarHBondContact N-OE1 3.07Å
115	S	53.1	Low	69.7	Low	84 Å²	84	65.8 Å²	65.8	59%	0.587	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.7	174.5	46.3	0	0	0	0	115.5	N113	N113-S115 PolarHBondContact O-N 2.84Å
116	Y	54.2	Low	70.5	Confident	154 Å²	154	62.3 Å²	62.3	60%	0.604	32%	0.317	S	S	*	.	S	Bend	trans	-99.7	133	-177.7	-67.6	-74.6	0	0	0	114.3	Y112 N113	Y112-Y116 WeakPolarHBondContact CE2-O 3.46Å; N113-Y116 HydrophobicContact CB-CD2 3.76Å; N113-Y116 HydrophobicContact CB-CE2 3.89Å; N113-Y116 PolarHBondContact O-N 2.85Å
117	K	63.5	Low	71.4	Confident	194 Å²	194	59.9 Å²	59.9	84%	0.843	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-69.1	127.4	169.9	-65.9	173.8	-177.8	172.8	0	108.2	T119	K117-T119 PolarHBondContact O-N 2.73Å
118	F	73.1	Confident	72.2	Confident	29 Å²	29	58.4 Å²	58.4	13%	0.127	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-50.3	133.8	170.1	-73.8	-56.8	0	0	0	110.8	Y112 I126 I216 P240 W251 F253	Y112-F118 HydrophobicContact CD2-CD1 4.3Å; Y112-F118 AromaticContact CD2-CE1 3.72Å; Y112-F118 HydrophobicContact CD2-CE1 3.72Å; Y112-F118 HydrophobicContact CD2-CZ 4.15Å; Y112-F118 HydrophobicContact CE2-CD1 4.22Å; Y112-F118 AromaticContact CE2-CE1 3.72Å; Y112-F118 HydrophobicContact CE2-CE1 3.72Å; Y112-F118 HydrophobicContact CE2-CE2 4.33Å; Y112-F118 AromaticContact CE2-CZ 3.77Å; Y112-F118 HydrophobicContact CE2-CZ 3.77Å; F118-I126 HydrophobicContact CE1-CD1 3.97Å; F118-I126 HydrophobicContact CZ-CD1 4.1Å; F118-I216 HydrophobicContact CZ-CD1 3.88Å; F118-I216 HydrophobicContact CZ-CG1 4.26Å; F118-I216 HydrophobicContact CZ-CG2 4.31Å; F118-P240 HydrophobicContact CB-CB 3.81Å; F118-P240 HydrophobicContact CB-CG 3.98Å; F118-P240 HydrophobicContact CD1-CB 3.54Å; F118-P240 HydrophobicContact CD1-CG 3.73Å; F118-P240 HydrophobicContact CD2-CB 4.49Å; F118-P240 HydrophobicContact CE1-CB 4.21Å; F118-P240 HydrophobicContact CG-CB 3.71Å; F118-P240 HydrophobicContact CG-CG 4.14Å; F118-W251 HydrophobicContact CB-CD2 3.71Å; F118-W251 HydrophobicContact CB-CE3 3.58Å; F118-W251 HydrophobicContact CB-CG 4.47Å; F118-W251 HydrophobicContact CB-CH2 3.74Å; F118-W251 HydrophobicContact CB-CZ2 3.88Å; F118-W251 HydrophobicContact CB-CZ3 3.59Å; F118-W251 HydrophobicContact CD2-CB 3.92Å; F118-W251 AromaticContact CD2-CD2 3.9Å; F118-W251 HydrophobicContact CD2-CD2 3.9Å; F118-W251 HydrophobicContact CD2-CE3 4.23Å; F118-W251 AromaticContact CD2-CG 3.77Å; F118-W251 HydrophobicContact CD2-CG 3.77Å; F118-W251 HydrophobicContact CE2-CB 4.29Å; F118-W251 HydrophobicContact CG-CD2 4.21Å; F118-W251 HydrophobicContact CG-CE3 4.18Å; F118-W251 WeakPolarHBondContact O-CH2 3.45Å; F118-W251 VanDerWaalsContact O-CZ2 3.3Å; F118-W251 WeakPolarHBondContact O-CZ2 3.28Å; F118-F253 HydrophobicContact CE1-CD2 4.29Å; F118-F253 HydrophobicContact CE1-CE2 4.43Å
119	T	73.4	Confident	73.1	Confident	76 Å²	76	54.6 Å²	54.6	47%	0.466	27%	0.266	S	S	.	.			trans	-106.4	123.3	174.6	44.5	0	0	0	0	108.1	K117 D121 C122 P240	K117-T119 PolarHBondContact O-N 2.73Å; T119-D121 PolarHBondContact O-N 2.88Å; T119-C122 VanDerWaalsContact CB-SG 3.53Å; T119-C122 PolarHBondContact O-N 3.2Å; T119-C122 VanDerWaalsContact OG1-CB 3.29Å; T119-C122 WeakPolarHBondContact OG1-CB 3.32Å; T119-C122 PolarHBondContact OG1-SG 3.39Å; T119-P240 VanDerWaalsContact O-CG 3.28Å; T119-P240 WeakPolarHBondContact O-CG 3.4Å
120	K	77.4	Confident	74.2	Confident	153 Å²	153	48.2 Å²	48.2	67%	0.665	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	134.8	-175.5	-179.4	-177.7	175.4	-177.3	0	110.3	C122	K120-C122 PolarHBondContact O-N 3.14Å
121	D	79.1	Confident	75	Confident	34 Å²	34	48.5 Å²	48.5	18%	0.182	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	7.8	175.4	-159.4	34.4	0	0	0	115.4	Y63 R64 F65 S66 T119 V239 P240	Y63-D121 CarbonylContact C-O 3.41Å; Y63-D121 CarbonylContact O-C 3.55Å; Y63-D121 VanDerWaalsContact O-C 3.26Å; R64-D121 WeakPolarHBondContact CA-O 3.38Å; R64-D121 WeakPolarHBondContact CA-OD2 3.43Å; R64-D121 WeakPolarHBondContact CB-OD2 3.47Å; F65-D121 PolarHBondContact N-O 3.47Å; S66-D121 WeakPolarHBondContact CB-OD2 3.43Å; S66-D121 PolarHBondContact N-OD1 2.94Å; S66-D121 VanDerWaalsContact N-OD1 3.09Å; S66-D121 PolarHBondContact OG-OD2 3.15Å; T119-D121 PolarHBondContact O-N 2.88Å; D121-V239 VanDerWaalsContact CA-CG1 3.45Å; D121-P240 PolarHBondContact N-O 2.94Å
122	C	81.4	Confident	75.6	Confident	12 Å²	12	46.9 Å²	46.9	8%	0.081	23%	0.231	C	C	.	.			trans	-89.2	136.6	176.4	-63.3	0	0	0	0	111.5	Y63 T119 K120 T124 P240	Y63-C122 HydrophobicContact CD1-CB 3.9Å; Y63-C122 VanDerWaalsContact O-CA 3.3Å; Y63-C122 WeakPolarHBondContact O-CA 3.34Å; Y63-C122 PolarHBondContact O-N 3.49Å; Y63-C122 PolarHBondContact O-SG 2.81Å; T119-C122 VanDerWaalsContact CB-SG 3.53Å; T119-C122 PolarHBondContact O-N 3.2Å; T119-C122 VanDerWaalsContact OG1-CB 3.29Å; T119-C122 WeakPolarHBondContact OG1-CB 3.32Å; T119-C122 PolarHBondContact OG1-SG 3.39Å; K120-C122 PolarHBondContact O-N 3.14Å; C122-T124 PolarHBondContact O-N 3.21Å; C122-T124 PolarHBondContact O-OG1 3.12Å; C122-P240 WeakPolarHBondContact O-CD 3.42Å
123	L	84.8	Confident	76.4	Confident	15 Å²	15	45 Å²	45	8%	0.079	22%	0.223	C	C	.	.			trans	-65.1	131.6	168.5	-173.6	63.2	0	0	0	109.4	L47 F65 F101	L47-L123 HydrophobicContact CD1-CD2 3.54Å; F65-L123 HydrophobicContact CD2-CD1 4.42Å; F101-L123 HydrophobicContact CD2-CD1 4.15Å; F101-L123 HydrophobicContact CE1-CD2 4.43Å; F101-L123 HydrophobicContact CE2-CD1 3.5Å; F101-L123 VanDerWaalsContact CE2-CD1 3.5Å; F101-L123 HydrophobicContact CE2-CD2 3.91Å; F101-L123 HydrophobicContact CE2-CG 4.39Å; F101-L123 HydrophobicContact CZ-CD1 4.16Å; F101-L123 HydrophobicContact CZ-CD2 3.75Å
124	T	84	Confident	77.3	Confident	15 Å²	15	42.6 Å²	42.6	9%	0.092	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.9	-179.4	-54.9	0	0	0	0	108.6	I110 C122 I126 S237 G238 F253	I110-T124 WeakPolarHBondContact O-CA 3.49Å; C122-T124 PolarHBondContact O-N 3.21Å; C122-T124 PolarHBondContact O-OG1 3.12Å; T124-I126 HydrophobicContact CG2-CG1 4.2Å; T124-S237 WeakPolarHBondContact O-CA 3.39Å; T124-G238 PolarHBondContact N-O 2.98Å; T124-G238 PolarHBondContact O-N 3.15Å; T124-F253 HydrophobicContact CG2-CE2 4.41Å; T124-F253 WeakPolarHBondContact O-CZ 3.49Å
125	V	86.8	Confident	78.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.9	173.4	177.2	0	0	0	0	108.8	L47 I104 I110 H111 Y112 I236	L47-V125 HydrophobicContact CD2-CG2 3.87Å; I104-V125 HydrophobicContact CG2-CG1 3.68Å; I104-V125 HydrophobicContact CG2-CG2 4.04Å; I110-V125 HydrophobicContact CD1-CG2 3.59Å; I110-V125 HydrophobicContact CG1-CB 4.36Å; I110-V125 HydrophobicContact CG1-CG2 3.93Å; I110-V125 PolarHBondContact O-N 3.47Å; H111-V125 WeakPolarHBondContact CA-O 3.29Å; Y112-V125 WeakPolarHBondContact CB-O 3.24Å; Y112-V125 PolarHBondContact N-O 2.81Å; V125-I236 CarbonylContact C-O 3.6Å; V125-I236 VanDerWaalsContact CA-O 3.27Å; V125-I236 WeakPolarHBondContact CA-O 3.18Å
126	I	85.5	Confident	79.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.6	179.4	-44.2	-172.3	0	0	0	108.9	Y112 F118 T124 L199 P201 I216 I236 F253	Y112-I126 HydrophobicContact CD1-CG2 4.12Å; Y112-I126 HydrophobicContact CG-CD1 4.36Å; Y112-I126 HydrophobicContact CG-CG1 4.28Å; Y112-I126 HydrophobicContact CG-CG2 4.47Å; F118-I126 HydrophobicContact CE1-CD1 3.97Å; F118-I126 HydrophobicContact CZ-CD1 4.1Å; T124-I126 HydrophobicContact CG2-CG1 4.2Å; I126-L199 HydrophobicContact CB-CD2 4Å; I126-L199 HydrophobicContact CG2-CD2 3.54Å; I126-P201 HydrophobicContact CG2-CB 4.08Å; I126-I216 HydrophobicContact CD1-CD1 3.78Å; I126-I216 HydrophobicContact CG2-CD1 4.34Å; I126-I236 HydrophobicContact CB-CD1 4.29Å; I126-I236 HydrophobicContact CB-CG1 3.8Å; I126-I236 HydrophobicContact CG1-CG1 4.37Å; I126-I236 PolarHBondContact N-O 3.22Å; I126-I236 WeakPolarHBondContact O-CG1 3.03Å; I126-I236 PolarHBondContact O-N 3.14Å; I126-F253 HydrophobicContact CD1-CD2 4.01Å; I126-F253 HydrophobicContact CD1-CE1 4.28Å; I126-F253 HydrophobicContact CD1-CE2 3.77Å; I126-F253 HydrophobicContact CD1-CG 4.37Å; I126-F253 HydrophobicContact CD1-CZ 3.89Å; I126-F253 HydrophobicContact CG1-CE1 4.45Å; I126-F253 HydrophobicContact CG1-CE2 4.24Å; I126-F253 HydrophobicContact CG1-CZ 3.97Å
127	E	85.6	Confident	81	Confident	16 Å²	16	37 Å²	37	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.1	166.2	-170.3	-177.6	168.4	0	0	109.5	P201 K202 R233 F235	E127-P201 WeakPolarHBondContact O-CA 3.5Å; E127-K202 HydrophobicContact CB-CB 4.5Å; E127-K202 HydrophobicContact CG-CB 4.44Å; E127-K202 HydrophobicContact CG-CD 4.14Å; E127-K202 PolarHBondContact O-N 3.37Å; E127-K202 VanDerWaalsContact OE1-CD 3.25Å; E127-K202 WeakPolarHBondContact OE1-CD 3.28Å; E127-K202 IonicContact OE1-NZ 3.14Å; E127-K202 PolarHBondContact OE1-NZ 2.84Å; E127-K202 WeakPolarHBondContact OE2-CD 3.49Å; E127-K202 IonicContact OE2-NZ 3.23Å; E127-K202 PolarHBondContact OE2-NZ 3.33Å; E127-R233 HydrophobicContact CG-CG 4.14Å; E127-R233 WeakPolarHBondContact OE1-CD 3.44Å; E127-R233 IonicContact OE1-CZ 2.61Å; E127-R233 IonicContact OE1-NE 2.64Å; E127-R233 PolarHBondContact OE1-NE 3.39Å; E127-R233 VanDerWaalsContact OE1-NE 3.12Å; E127-F235 HydrophobicContact CB-CD1 3.81Å; E127-F235 HydrophobicContact CB-CE1 3.53Å; E127-F235 HydrophobicContact CG-CD1 3.96Å; E127-F235 HydrophobicContact CG-CE1 3.39Å; E127-F235 HydrophobicContact CG-CZ 3.91Å
128	G	84	Confident	81.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	-177.5	179.8	0	0	0	0	0	114.7	L200 R233 C234	G128-L200 CarbonylContact C-O 3.45Å; G128-L200 WeakPolarHBondContact CA-O 3.24Å; G128-R233 WeakPolarHBondContact O-CA 3.3Å; G128-C234 PolarHBondContact N-O 3.39Å; G128-C234 PolarHBondContact O-N 2.88Å
129	V	84	Confident	82.3	Confident	25 Å²	25	32.8 Å²	32.8	15%	0.152	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.5	179.3	177.4	0	0	0	0	109.6	I131 L200 G231 R233 L433	V129-I131 HydrophobicContact CG1-CG2 4.48Å; V129-I131 PolarHBondContact O-N 3.36Å; V129-L200 PolarHBondContact N-O 3.29Å; V129-L200 PolarHBondContact O-N 3.33Å; V129-G231 VanDerWaalsContact CG1-CA 3.5Å; V129-G231 WeakPolarHBondContact CG1-O 3.47Å; V129-R233 HydrophobicContact CG2-CB 4.33Å; V129-L433 HydrophobicContact CG1-CD2 4.1Å
130	V	85.5	Confident	82.9	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.1	176.3	-179.4	0	0	0	0	110	I133 F197 L199 L228 K229 F230 G231	V130-I133 HydrophobicContact CG1-CD1 3.91Å; V130-I133 HydrophobicContact CG1-CG1 3.73Å; V130-F197 HydrophobicContact CB-CD2 4.44Å; V130-F197 HydrophobicContact CG1-CB 4.34Å; V130-F197 HydrophobicContact CG1-CD2 3.91Å; V130-F197 HydrophobicContact CG1-CG 4.49Å; V130-F197 HydrophobicContact CG2-CD2 3.93Å; V130-F197 HydrophobicContact CG2-CE2 3.94Å; V130-L199 HydrophobicContact CG2-CD1 4.35Å; V130-L228 HydrophobicContact CG2-CD2 4.38Å; V130-K229 WeakPolarHBondContact CB-O 3.09Å; V130-F230 HydrophobicContact CG1-CD1 4.28Å; V130-G231 PolarHBondContact O-N 3.44Å; V130-G231 VanDerWaalsContact O-N 3.11Å
131	I	82.5	Confident	83.2	Confident	17 Å²	17	24.6 Å²	24.6	9%	0.087	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-15	-174.7	68.8	171.1	0	0	0	114.4	V129 L198 L200 M427 C428 L433	V129-I131 HydrophobicContact CG1-CG2 4.48Å; V129-I131 PolarHBondContact O-N 3.36Å; I131-L198 HydrophobicContact CD1-CB 4.21Å; I131-L198 HydrophobicContact CG1-CB 3.63Å; I131-L198 WeakPolarHBondContact CG1-O 3.11Å; I131-L198 PolarHBondContact N-O 3.13Å; I131-L200 HydrophobicContact CD1-CB 4.46Å; I131-L200 HydrophobicContact CG2-CB 3.77Å; I131-L200 HydrophobicContact CG2-CD2 4.49Å; I131-M427 HydrophobicContact CD1-CE 4.5Å; I131-M427 HydrophobicContact CG1-CE 4.49Å; I131-C428 WeakPolarHBondContact CA-SG 3.26Å; I131-C428 PolarHBondContact O-N 3.31Å; I131-C428 PolarHBondContact O-SG 2.94Å; I131-L433 HydrophobicContact CG2-CD2 3.83Å
132	G	80.4	Confident	83.5	Confident	1 Å²	1	23 Å²	23	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	136.3	-177.8	0	0	0	0	0	110.7	F197 L198 V426	G132-F197 CarbonylContact O-C 3.6Å; G132-F197 WeakPolarHBondContact O-CA 3.49Å; G132-F197 WeakPolarHBondContact O-CB 3.29Å; G132-L198 PolarHBondContact O-N 2.84Å; G132-V426 CarbonylContact C-O 3.59Å; G132-V426 VanDerWaalsContact CA-O 3.24Å; G132-V426 WeakPolarHBondContact CA-O 3.45Å
133	I	83.7	Confident	83.7	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134	179.2	-61.5	179.1	0	0	0	108.9	V130 V195 F197 L228 F230 V426 L485	V130-I133 HydrophobicContact CG1-CD1 3.91Å; V130-I133 HydrophobicContact CG1-CG1 3.73Å; I133-V195 HydrophobicContact CG2-CG1 3.54Å; I133-F197 HydrophobicContact CG1-CB 4.05Å; I133-L228 HydrophobicContact CD1-CB 4.19Å; I133-F230 HydrophobicContact CB-CE1 4.23Å; I133-F230 HydrophobicContact CB-CE2 4.05Å; I133-F230 HydrophobicContact CB-CZ 3.55Å; I133-F230 HydrophobicContact CD1-CD1 4.34Å; I133-F230 HydrophobicContact CD1-CD2 3.86Å; I133-F230 HydrophobicContact CD1-CE1 4.06Å; I133-F230 HydrophobicContact CD1-CE2 3.51Å; I133-F230 HydrophobicContact CD1-CG 4.3Å; I133-F230 HydrophobicContact CD1-CZ 3.66Å; I133-F230 HydrophobicContact CG1-CD1 4.39Å; I133-F230 HydrophobicContact CG1-CE1 3.72Å; I133-F230 HydrophobicContact CG1-CE2 3.86Å; I133-F230 HydrophobicContact CG1-CZ 3.44Å; I133-F230 VanDerWaalsContact CG1-CZ 3.44Å; I133-V426 PolarHBondContact N-O 2.92Å; I133-V426 PolarHBondContact O-N 3.35Å; I133-L485 HydrophobicContact CD1-CD2 4.32Å; I133-L485 HydrophobicContact CG2-CD1 4.11Å; I133-L485 HydrophobicContact CG2-CD2 4.21Å
134	T	82.3	Confident	83.8	Confident	5 Å²	5	21.9 Å²	21.9	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	163.2	172.2	53.7	0	0	0	0	111.2	A196 T425	T134-A196 WeakPolarHBondContact CB-O 2.88Å; T134-A196 HydrophobicContact CG2-CB 4.01Å; T134-A196 PolarHBondContact N-O 2.97Å; T134-A196 WeakPolarHBondContact OG1-CA 3.18Å; T134-A196 PolarHBondContact OG1-N 3.44Å; T134-A196 PolarHBondContact OG1-O 3.04Å; T134-T425 HydrophobicContact CG2-CG2 3.52Å
135	H	77.9	Confident	83.9	Confident	85 Å²	85	21.8 Å²	21.8	39%	0.394	11%	0.106	S	C	.	.	P	Polyproline II helix	trans	-59.5	151.4	168.4	-63.3	-78.3	0	0	0	111.5	H137	H135-H137 PolarHBondContact O-CD2 2.95Å; H135-H137 PolarHBondContact O-N 3.11Å
136	V	83.3	Confident	84	Confident	30 Å²	30	22 Å²	22	18%	0.182	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-64	119.6	173.9	-176.6	0	0	0	0	109	K193 V195	V136-K193 HydrophobicContact CG1-CB 3.94Å; V136-K193 HydrophobicContact CG1-CD 4.21Å; V136-K193 HydrophobicContact CG1-CG 4.09Å; V136-V195 HydrophobicContact CB-CG2 4.14Å; V136-V195 HydrophobicContact CG1-CG2 4.36Å; V136-V195 HydrophobicContact CG2-CG2 3.67Å
137	H	82.2	Confident	84.1	Confident	65 Å²	65	22 Å²	22	30%	0.301	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.8	176.5	-69.8	-67.9	0	0	0	110.3	H135 R194	H135-H137 PolarHBondContact O-CD2 2.95Å; H135-H137 PolarHBondContact O-N 3.11Å; H137-R194 HydrophobicContact CB-CG 4.05Å; H137-R194 PolarHBondContact N-O 2.99Å; H137-R194 PolarHBondContact O-N 3.3Å
138	F	83.2	Confident	84.3	Confident	107 Å²	107	23.8 Å²	23.8	47%	0.469	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139	167.7	-70.9	-84.1	0	0	0	110.2	S192 K193 I481	F138-S192 WeakPolarHBondContact CA-O 3.4Å; F138-K193 HydrophobicContact CD1-CG 4.02Å; F138-K193 HydrophobicContact CE1-CD 4.27Å; F138-K193 HydrophobicContact CE1-CG 3.52Å; F138-K193 HydrophobicContact CZ-CD 4.44Å; F138-K193 HydrophobicContact CZ-CG 4.02Å; F138-I481 HydrophobicContact CE2-CD1 4.06Å; F138-I481 HydrophobicContact CZ-CD1 3.51Å
139	F	82	Confident	84.5	Confident	26 Å²	26	28.2 Å²	28.2	11%	0.114	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.2	173.5	75.2	-75.6	0	0	0	110.5	K141 F191 S192 R194 Y221	F139-K141 HydrophobicContact CE2-CB 4.24Å; F139-K141 PolarHBondContact O-N 2.86Å; F139-F191 WeakPolarHBondContact O-CA 2.86Å; F139-S192 WeakPolarHBondContact CD1-O 3.39Å; F139-S192 VanDerWaalsContact CE1-CB 3.45Å; F139-S192 WeakPolarHBondContact CE1-OG 3.33Å; F139-S192 VanDerWaalsContact CZ-OG 3.32Å; F139-S192 WeakPolarHBondContact CZ-OG 3.17Å; F139-S192 PolarHBondContact N-O 3.01Å; F139-S192 PolarHBondContact O-N 3.12Å; F139-R194 HydrophobicContact CD1-CB 3.87Å; F139-R194 HydrophobicContact CD1-CG 3.77Å; F139-R194 HydrophobicContact CE1-CB 3.84Å; F139-R194 HydrophobicContact CE1-CG 4.27Å; F139-Y221 AromaticContact CE1-CD1 3.51Å; F139-Y221 HydrophobicContact CE1-CD1 3.51Å; F139-Y221 AromaticContact CE1-CE1 3.76Å; F139-Y221 HydrophobicContact CE1-CE1 3.76Å; F139-Y221 HydrophobicContact CE2-CD1 4.5Å; F139-Y221 HydrophobicContact CE2-CE1 4.22Å; F139-Y221 AromaticContact CZ-CD1 3.43Å; F139-Y221 HydrophobicContact CZ-CD1 3.43Å; F139-Y221 VanDerWaalsContact CZ-CD1 3.43Å; F139-Y221 AromaticContact CZ-CE1 3.52Å; F139-Y221 HydrophobicContact CZ-CE1 3.52Å
140	T	84.9	Confident	84.5	Confident	29 Å²	29	34.3 Å²	34.3	18%	0.178	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.9	174.5	-48.2	0	0	0	0	108.7	V143 I163 R189 L190	T140-V143 HydrophobicContact CG2-CG2 3.65Å; T140-I163 HydrophobicContact CG2-CD1 3.75Å; T140-I163 VanDerWaalsContact O-CB 3.31Å; T140-I163 WeakPolarHBondContact O-CB 3.21Å; T140-R189 HydrophobicContact CG2-CB 4.14Å; T140-R189 HydrophobicContact CG2-CG 4.06Å; T140-L190 CarbonylContact C-O 3.56Å
141	K	84.8	Confident	84.5	Confident	28 Å²	28	41.8 Å²	41.8	12%	0.122	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-37.6	178.1	-169.5	166.5	-178.6	168.5	0	111.5	T40 I96 E98 F139 I163 L190 D222	T40-K141 VanDerWaalsContact CG2-NZ 3.35Å; I96-K141 HydrophobicContact CD1-CG 4.26Å; E98-K141 IonicContact OE2-NZ 2.85Å; E98-K141 PolarHBondContact OE2-NZ 2.9Å; F139-K141 HydrophobicContact CE2-CB 4.24Å; F139-K141 PolarHBondContact O-N 2.86Å; K141-I163 PolarHBondContact O-N 2.98Å; K141-L190 HydrophobicContact CB-CD2 4.47Å; K141-L190 HydrophobicContact CB-CG 4.48Å; K141-L190 PolarHBondContact N-O 3.28Å; K141-D222 IonicContact NZ-OD2 3.61Å; K141-D222 PolarHBondContact NZ-OD2 3.07Å
142	A	85.2	Confident	84.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.4	173.6	0	0	0	0	0	112.5	V38 I96 I160 Q161 L190	V38-A142 HydrophobicContact CG1-CB 4.34Å; I96-A142 HydrophobicContact CD1-CB 3.88Å; A142-I160 HydrophobicContact CB-CG2 4.47Å; A142-Q161 VanDerWaalsContact CA-O 3.32Å; A142-Q161 WeakPolarHBondContact CA-O 3.16Å; A142-L190 HydrophobicContact CB-CB 4.17Å; A142-L190 HydrophobicContact CB-CD2 4.47Å; A142-L190 PolarHBondContact N-O 2.98Å; A142-L190 PolarHBondContact O-N 3.3Å
143	V	86	Confident	84.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.7	177.3	174.4	0	0	0	0	109	T140 Y145 Q161 I163 L170 E184 R189	T140-V143 HydrophobicContact CG2-CG2 3.65Å; V143-Y145 HydrophobicContact CB-CE2 4.18Å; V143-Y145 HydrophobicContact CG1-CD2 4.08Å; V143-Y145 HydrophobicContact CG1-CE1 4.31Å; V143-Y145 HydrophobicContact CG1-CE2 3.56Å; V143-Q161 PolarHBondContact N-O 3Å; V143-Q161 PolarHBondContact O-N 3.36Å; V143-I163 HydrophobicContact CG2-CD1 3.43Å; V143-I163 VanDerWaalsContact CG2-CD1 3.43Å; V143-I163 HydrophobicContact CG2-CG1 4.16Å; V143-L170 HydrophobicContact CG2-CD2 4.4Å; V143-E184 HydrophobicContact CG1-CG 3.56Å; V143-E184 WeakPolarHBondContact CG1-OE1 3.46Å; V143-R189 HydrophobicContact CG2-CG 4.44Å
144	L	86.7	Confident	84.6	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.5	175.8	-69.2	79.8	0	0	0	109.4	L37 V38 Y158 I160 E185 K188	L37-L144 HydrophobicContact CB-CD2 3.66Å; L37-L144 HydrophobicContact CD1-CD2 3.54Å; L37-L144 HydrophobicContact CG-CD2 4.26Å; V38-L144 HydrophobicContact CG2-CD1 3.85Å; V38-L144 HydrophobicContact CG2-CD2 4.19Å; V38-L144 HydrophobicContact CG2-CG 4.16Å; L144-Y158 HydrophobicContact CB-CD1 4.37Å; L144-Y158 HydrophobicContact CD2-CD1 4.23Å; L144-Y158 HydrophobicContact CD2-CG 4.26Å; L144-I160 HydrophobicContact CG-CG1 4.23Å; L144-E185 HydrophobicContact CB-CB 4.29Å; L144-E185 PolarHBondContact O-N 2.82Å; L144-K188 HydrophobicContact CD1-CB 4.35Å; L144-K188 VanDerWaalsContact CD1-O 3.26Å; L144-K188 WeakPolarHBondContact CD1-O 3.33Å; L144-K188 HydrophobicContact CD2-CB 4.27Å
145	Y	86.5	Confident	84.6	Confident	13 Å²	13	46.9 Å²	46.9	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.1	174.2	-58.3	-97.2	0	0	0	110.4	V143 Y158 F159 Q161 L170 F173 L182 R183 E184	V143-Y145 HydrophobicContact CB-CE2 4.18Å; V143-Y145 HydrophobicContact CG1-CD2 4.08Å; V143-Y145 HydrophobicContact CG1-CE1 4.31Å; V143-Y145 HydrophobicContact CG1-CE2 3.56Å; Y145-Y158 CarbonylContact O-C 3.39Å; Y145-Y158 WeakPolarHBondContact O-CA 3.25Å; Y145-F159 HydrophobicContact CD2-CD1 4.01Å; Y145-F159 PolarHBondContact N-O 3.42Å; Y145-F159 PolarHBondContact O-N 2.9Å; Y145-Q161 HydrophobicContact CE2-CB 3.98Å; Y145-Q161 PolarHBondContact OH-OE1 3.07Å; Y145-L170 WeakPolarHBondContact OH-CD2 3.44Å; Y145-F173 AromaticContact CD2-CD2 3.95Å; Y145-F173 HydrophobicContact CD2-CD2 3.95Å; Y145-F173 HydrophobicContact CD2-CE2 4.27Å; Y145-F173 HydrophobicContact CE1-CD2 4.37Å; Y145-F173 AromaticContact CE2-CD2 3.74Å; Y145-F173 HydrophobicContact CE2-CD2 3.74Å; Y145-F173 AromaticContact CE2-CE2 3.69Å; Y145-F173 HydrophobicContact CE2-CE2 3.69Å; Y145-F173 HydrophobicContact CG-CD2 4.34Å; Y145-F173 AromaticContact CZ-CD2 3.96Å; Y145-F173 AromaticContact CZ-CE2 4Å; Y145-L182 HydrophobicContact CD1-CB 4.44Å; Y145-L182 HydrophobicContact CG-CB 4.45Å; Y145-R183 CarbonylContact C-O 3.56Å; Y145-R183 VanDerWaalsContact CA-O 3.25Å; Y145-R183 WeakPolarHBondContact CA-O 3.4Å; Y145-E184 HydrophobicContact CD1-CB 4.02Å; Y145-E184 HydrophobicContact CE1-CB 3.95Å
146	S	87.6	Confident	84.6	Confident	5 Å²	5	49.4 Å²	49.4	4%	0.035	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.6	176.8	59.5	0	0	0	0	110.2	L182 R183 E185	S146-L182 WeakPolarHBondContact O-CA 2.79Å; S146-R183 PolarHBondContact N-O 2.81Å; S146-R183 PolarHBondContact O-N 3.42Å; S146-E185 WeakPolarHBondContact CB-OE1 3.36Å; S146-E185 PolarHBondContact OG-OE1 3.09Å
147	C	88.5	Confident	84.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.			trans	-74.5	126.6	172.8	-173.2	0	0	0	0	109.9	E149 G154 N155 C175 C178 L182	C147-E149 PolarHBondContact O-N 3.5Å; C147-G154 VanDerWaalsContact CB-O 3.22Å; C147-G154 WeakPolarHBondContact CB-O 3.3Å; C147-G154 PolarHBondContact N-O 3.43Å; C147-N155 HydrophobicContact CB-CB 4.5Å; C147-N155 PolarHBondContact O-OD1 3.07Å; C147-N155 VanDerWaalsContact O-OD1 3.09Å; C147-C175 HydrophobicContact CB-CB 4.3Å; C147-C178 PolarHBondContact SG-SG 3.28Å; C147-L182 HydrophobicContact CB-CD2 4.04Å
148	P	89	Confident	84.1	Confident	55 Å²	55	51.9 Å²	51.9	36%	0.357	27%	0.268	S	S	.	.	S	Bend	trans	-69.7	-16.7	178.6	29.3	-35.7	0	0	0	113.4	H150 T180 E181 R183	P148-H150 PolarHBondContact O-N 3.15Å; P148-T180 HydrophobicContact CG-CG2 3.76Å; P148-E181 WeakPolarHBondContact CD-O 3.45Å; P148-R183 HydrophobicContact CB-CB 4.45Å
149	E	87.8	Confident	84	Confident	92 Å²	92	49.8 Å²	49.8	43%	0.43	26%	0.259	S	S	.	.			trans	-81	107.9	-178.7	-175.6	57.1	-122.7	0	0	110.7	C147 L151 C152	C147-E149 PolarHBondContact O-N 3.5Å; E149-L151 VanDerWaalsContact C-N 3.26Å; E149-L151 PolarHBondContact O-N 3.28Å; E149-C152 HydrophobicContact CB-CB 3.82Å; E149-C152 HydrophobicContact CG-CB 3.92Å; E149-C152 WeakPolarHBondContact O-CB 3.44Å; E149-C152 PolarHBondContact O-N 3.02Å
150	H	84.1	Confident	84	Confident	153 Å²	153	48.9 Å²	48.9	71%	0.708	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.3	-172.4	-67.1	-53.2	0	0	0	114.9	P148 C152 N155	P148-H150 PolarHBondContact O-N 3.15Å; H150-C152 VanDerWaalsContact C-N 3.32Å; H150-N155 PolarHBondContact ND1-ND2 3.34Å
151	L	85.2	Confident	83.8	Confident	160 Å²	160	49 Å²	49	84%	0.838	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.1	178.6	-64	170.7	0	0	0	112.5	E149	E149-L151 VanDerWaalsContact C-N 3.26Å; E149-L151 PolarHBondContact O-N 3.28Å
152	C	86.2	Confident	83.6	Confident	10 Å²	10	50.1 Å²	50.1	7%	0.068	26%	0.26	C	S	.	.	S	Bend	trans	-80.8	133.9	179	-175.8	0	0	0	0	110.1	E149 H150 G154 N155 F177 C178	E149-C152 HydrophobicContact CB-CB 3.82Å; E149-C152 HydrophobicContact CG-CB 3.92Å; E149-C152 WeakPolarHBondContact O-CB 3.44Å; E149-C152 PolarHBondContact O-N 3.02Å; H150-C152 VanDerWaalsContact C-N 3.32Å; C152-G154 PolarHBondContact O-N 3.39Å; C152-G154 PolarHBondContact SG-N 3.3Å; C152-G154 VanDerWaalsContact SG-N 3.35Å; C152-N155 WeakPolarHBondContact O-CB 3.26Å; C152-N155 PolarHBondContact O-N 3.42Å; C152-F177 VanDerWaalsContact SG-CB 3.58Å; C152-C178 HydrophobicContact CB-CB 4.38Å; C152-C178 PolarHBondContact SG-SG 2.94Å
153	P	83.1	Confident	83.1	Confident	84 Å²	84	52.6 Å²	52.6	55%	0.545	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-54.8	-22	170.9	-23.7	32.9	0	0	0	113	N155 F177	P153-N155 VanDerWaalsContact C-N 3.28Å; P153-N155 PolarHBondContact O-N 2.97Å; P153-F177 HydrophobicContact CB-CD1 4.25Å; P153-F177 HydrophobicContact CB-CD2 4.24Å; P153-F177 HydrophobicContact CB-CE1 4.27Å; P153-F177 HydrophobicContact CB-CE2 4.25Å; P153-F177 HydrophobicContact CB-CG 4.23Å; P153-F177 HydrophobicContact CB-CZ 4.27Å; P153-F177 HydrophobicContact CG-CD1 4.42Å; P153-F177 HydrophobicContact CG-CG 4.5Å
154	G	79.8	Confident	82.1	Confident	2 Å²	2	56.2 Å²	56.2	2%	0.021	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-73	-9.2	175.8	0	0	0	0	0	115.7	C147 C152 T157	C147-G154 VanDerWaalsContact CB-O 3.22Å; C147-G154 WeakPolarHBondContact CB-O 3.3Å; C147-G154 PolarHBondContact N-O 3.43Å; C152-G154 PolarHBondContact O-N 3.39Å; C152-G154 PolarHBondContact SG-N 3.3Å; C152-G154 VanDerWaalsContact SG-N 3.35Å; G154-T157 WeakPolarHBondContact CA-OG1 3.39Å; G154-T157 VanDerWaalsContact O-O 3.12Å; G154-T157 PolarHBondContact O-OG1 3.25Å
155	N	83	Confident	80.7	Confident	37 Å²	37	57.6 Å²	57.6	20%	0.198	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-71.2	-36.1	178.4	-177.9	29.7	0	0	0	111.4	C147 H150 C152 P153 T157	C147-N155 HydrophobicContact CB-CB 4.5Å; C147-N155 PolarHBondContact O-OD1 3.07Å; C147-N155 VanDerWaalsContact O-OD1 3.09Å; H150-N155 PolarHBondContact ND1-ND2 3.34Å; C152-N155 WeakPolarHBondContact O-CB 3.26Å; C152-N155 PolarHBondContact O-N 3.42Å; P153-N155 VanDerWaalsContact C-N 3.28Å; P153-N155 PolarHBondContact O-N 2.97Å; N155-T157 VanDerWaalsContact C-N 3.33Å
156	D	77.3	Confident	79.1	Confident	137 Å²	137	61.4 Å²	61.4	73%	0.733	33%	0.326	S	S	*	.	S	Bend	trans	-86	-5.7	-179.5	-64.8	-29.2	0	0	0	113.4
157	T	76.7	Confident	77.4	Confident	78 Å²	78	68 Å²	68	48%	0.479	36%	0.361	S	S	.	.	S	Bend	trans	-107.2	131.1	178.2	53.9	0	0	0	0	110.5	G154 N155	G154-T157 WeakPolarHBondContact CA-OG1 3.39Å; G154-T157 VanDerWaalsContact O-O 3.12Å; G154-T157 PolarHBondContact O-OG1 3.25Å; N155-T157 VanDerWaalsContact C-N 3.33Å
158	Y	79	Confident	75.7	Confident	69 Å²	69	74.7 Å²	74.7	27%	0.271	39%	0.39	S	S	.	.			trans	-97.5	130.1	179.4	-63.1	-83.6	0	0	0	110.2	L37 L144 Y145 E185 K188	L37-Y158 HydrophobicContact CD1-CD1 4.2Å; L37-Y158 HydrophobicContact CD1-CD2 3.61Å; L37-Y158 HydrophobicContact CD1-CE1 4.07Å; L37-Y158 HydrophobicContact CD1-CE2 3.48Å; L37-Y158 VanDerWaalsContact CD1-CE2 3.48Å; L37-Y158 HydrophobicContact CD1-CG 3.97Å; L37-Y158 HydrophobicContact CD2-CD2 3.83Å; L37-Y158 HydrophobicContact CD2-CE2 3.87Å; L37-Y158 HydrophobicContact CG-CD2 4.3Å; L37-Y158 HydrophobicContact CG-CE2 4.33Å; L144-Y158 HydrophobicContact CB-CD1 4.37Å; L144-Y158 HydrophobicContact CD2-CD1 4.23Å; L144-Y158 HydrophobicContact CD2-CG 4.26Å; Y145-Y158 CarbonylContact O-C 3.39Å; Y145-Y158 WeakPolarHBondContact O-CA 3.25Å; Y158-E185 HydrophobicContact CD1-CG 4.41Å; Y158-E185 HydrophobicContact CE1-CG 4.1Å; Y158-K188 HydrophobicContact CE1-CD 4.06Å; Y158-K188 PolarHBondContact OH-NZ 3.01Å
159	F	80.7	Confident	74.1	Confident	63 Å²	63	83 Å²	83	28%	0.276	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.5	165.8	-177.1	-93	0	0	0	109	Y145 Q161 F173 L182	Y145-F159 HydrophobicContact CD2-CD1 4.01Å; Y145-F159 PolarHBondContact N-O 3.42Å; Y145-F159 PolarHBondContact O-N 2.9Å; F159-Q161 HydrophobicContact CE1-CB 4.46Å; F159-F173 HydrophobicContact CD1-CB 4.38Å; F159-F173 HydrophobicContact CD1-CD1 4.16Å; F159-F173 AromaticContact CD1-CD2 3.74Å; F159-F173 HydrophobicContact CD1-CD2 3.74Å; F159-F173 HydrophobicContact CD1-CE1 4.45Å; F159-F173 HydrophobicContact CD1-CE2 4.05Å; F159-F173 AromaticContact CD1-CG 3.81Å; F159-F173 HydrophobicContact CD1-CG 3.81Å; F159-F173 HydrophobicContact CD1-CZ 4.41Å; F159-F173 AromaticContact CE1-CD1 3.48Å; F159-F173 HydrophobicContact CE1-CD1 3.48Å; F159-F173 VanDerWaalsContact CE1-CD1 3.48Å; F159-F173 AromaticContact CE1-CD2 3.56Å; F159-F173 HydrophobicContact CE1-CD2 3.56Å; F159-F173 AromaticContact CE1-CE1 3.42Å; F159-F173 HydrophobicContact CE1-CE1 3.42Å; F159-F173 VanDerWaalsContact CE1-CE1 3.42Å; F159-F173 AromaticContact CE1-CE2 3.51Å; F159-F173 HydrophobicContact CE1-CE2 3.51Å; F159-F173 AromaticContact CE1-CG 3.56Å; F159-F173 HydrophobicContact CE1-CG 3.56Å; F159-F173 AromaticContact CE1-CZ 3.44Å; F159-F173 HydrophobicContact CE1-CZ 3.44Å; F159-F173 VanDerWaalsContact CE1-CZ 3.44Å; F159-F173 AromaticContact CZ-CD1 3.71Å; F159-F173 HydrophobicContact CZ-CD1 3.71Å; F159-F173 AromaticContact CZ-CE1 3.62Å; F159-F173 HydrophobicContact CZ-CE1 3.62Å; F159-F173 HydrophobicContact CZ-CE2 4.49Å; F159-F173 HydrophobicContact CZ-CG 4.22Å; F159-F173 HydrophobicContact CZ-CZ 4.05Å; F159-L182 HydrophobicContact CB-CD1 3.65Å; F159-L182 HydrophobicContact CG-CD1 4.16Å
160	I	82.3	Confident	72.8	Confident	8 Å²	8	82.3 Å²	82.3	4%	0.041	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.6	-172.5	-58.4	159.1	0	0	0	109.4	V38 D91 N93 A142 L144	V38-I160 HydrophobicContact CG1-CG2 4.48Å; V38-I160 HydrophobicContact CG2-CD1 3.91Å; V38-I160 HydrophobicContact CG2-CG1 4.07Å; V38-I160 HydrophobicContact CG2-CG2 3.71Å; D91-I160 PolarHBondContact OD2-N 3.17Å; N93-I160 HydrophobicContact CB-CB 3.93Å; N93-I160 HydrophobicContact CB-CG2 4.04Å; N93-I160 WeakPolarHBondContact CB-O 3.46Å; N93-I160 PolarHBondContact ND2-O 3.38Å; N93-I160 WeakPolarHBondContact O-CG2 3.43Å; A142-I160 HydrophobicContact CB-CG2 4.47Å; L144-I160 HydrophobicContact CG-CG1 4.23Å
161	Q	81.1	Confident	71.8	Confident	32 Å²	32	81 Å²	81	15%	0.15	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.9	175.3	-170.8	-179.7	26	0	0	110.4	A142 V143 Y145 F159 I163 F173	A142-Q161 VanDerWaalsContact CA-O 3.32Å; A142-Q161 WeakPolarHBondContact CA-O 3.16Å; V143-Q161 PolarHBondContact N-O 3Å; V143-Q161 PolarHBondContact O-N 3.36Å; Y145-Q161 HydrophobicContact CE2-CB 3.98Å; Y145-Q161 PolarHBondContact OH-OE1 3.07Å; F159-Q161 HydrophobicContact CE1-CB 4.46Å; Q161-I163 PolarHBondContact O-N 3.42Å; Q161-F173 HydrophobicContact CB-CE2 4.34Å; Q161-F173 HydrophobicContact CG-CE2 4.38Å; Q161-F173 HydrophobicContact CG-CZ 4.32Å
162	H	80.6	Confident	71	Confident	50 Å²	50	83.1 Å²	83.1	23%	0.231	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.9	168	-61.5	175	0	0	0	109.4	N93 I96 T164	N93-H162 PolarHBondContact O-NE2 3.44Å; I96-H162 VanDerWaalsContact CG1-CE1 3.49Å; I96-H162 WeakPolarHBondContact CG1-CE1 3.3Å; I96-H162 VanDerWaalsContact CG1-NE2 3.27Å; I96-H162 WeakPolarHBondContact CG1-NE2 3.34Å; H162-T164 PolarHBondContact O-N 3.05Å
163	I	73.3	Confident	70.5	Confident	53 Å²	53	84.3 Å²	84.3	27%	0.272	41%	0.409	S	S	.	.			trans	-85.8	105.6	171.6	-65.4	176.8	0	0	0	106.8	T140 K141 V143 Q161 L170	T140-I163 HydrophobicContact CG2-CD1 3.75Å; T140-I163 VanDerWaalsContact O-CB 3.31Å; T140-I163 WeakPolarHBondContact O-CB 3.21Å; K141-I163 PolarHBondContact O-N 2.98Å; V143-I163 HydrophobicContact CG2-CD1 3.43Å; V143-I163 VanDerWaalsContact CG2-CD1 3.43Å; V143-I163 HydrophobicContact CG2-CG1 4.16Å; Q161-I163 PolarHBondContact O-N 3.42Å; I163-L170 HydrophobicContact CD1-CD2 4.16Å; I163-L170 HydrophobicContact CG1-CD2 4.44Å
164	T	64.9	Low	70.7	Confident	77 Å²	77	86.6 Å²	86.6	47%	0.472	41%	0.412	S	S	.	.			trans	-81.8	143.7	164.3	47.8	0	0	0	0	108	H162 V166	H162-T164 PolarHBondContact O-N 3.05Å; T164-V166 PolarHBondContact O-N 2.64Å
165	D	57.1	Low	70.9	Confident	32 Å²	32	86.8 Å²	86.8	17%	0.171	41%	0.413	C	S	.	.	S	Bend	trans	-63.7	9.4	-167.1	-128.4	17.5	0	0	0	116.1	R194 Y221	D165-R194 IonicContact OD1-CZ 2.65Å; D165-R194 IonicContact OD1-NH1 2.84Å; D165-R194 PolarHBondContact OD1-NH1 3.3Å; D165-R194 IonicContact OD2-CZ 2.72Å; D165-R194 IonicContact OD2-NH1 2.75Å; D165-R194 PolarHBondContact OD2-NH1 3.02Å; D165-Y221 PolarHBondContact OD2-OH 3.06Å
166	V	53.3	Low	70.9	Confident	92 Å²	92	93.4 Å²	93.4	56%	0.558	44%	0.44	S	S	*	.	S	Bend	trans	-91.1	130.7	173.2	-171.5	0	0	0	0	106.8	T164 K168	T164-V166 PolarHBondContact O-N 2.64Å; V166-K168 PolarHBondContact O-N 2.72Å
167	D	52.1	Low	71.4	Confident	144 Å²	144	92.4 Å²	92.4	77%	0.77	43%	0.429	S	S	*	.			trans	-56.4	57.2	175.9	-61.5	-56.9	0	0	0	113.4	R169	D167-R169 PolarHBondContact O-N 2.61Å
168	K	53.3	Low	71.9	Confident	140 Å²	140	90.9 Å²	90.9	61%	0.609	42%	0.421	S	S	*	.			trans	-73.2	113.3	165.3	-70.6	-172.4	178.9	-177.2	0	104.3	V166 L170	V166-K168 PolarHBondContact O-N 2.72Å; K168-L170 PolarHBondContact O-N 2.73Å
169	R	54.9	Low	72.3	Confident	229 Å²	229	95.4 Å²	95.4	86%	0.864	44%	0.439	S	S	*	.			trans	-46.6	131.2	164.4	-77.1	-179.4	173.6	174	-3.1	107	D167 E171	D167-R169 PolarHBondContact O-N 2.61Å; R169-E171 PolarHBondContact O-N 3.01Å
170	L	60	Low	72.6	Confident	79 Å²	79	95 Å²	95	41%	0.414	44%	0.442	S	S	.	.			trans	-52.2	109.8	169.7	-67.4	166.2	0	0	0	106.4	V143 Y145 I163 K168	V143-L170 HydrophobicContact CG2-CD2 4.4Å; Y145-L170 WeakPolarHBondContact OH-CD2 3.44Å; I163-L170 HydrophobicContact CD1-CD2 4.16Å; I163-L170 HydrophobicContact CG1-CD2 4.44Å; K168-L170 PolarHBondContact O-N 2.73Å
171	E	64.7	Low	72.8	Confident	125 Å²	125	99.1 Å²	99.1	58%	0.584	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-68.9	135.3	178.4	-72.2	177.7	-179.1	0	0	106.9	R169 F173	R169-E171 PolarHBondContact O-N 3.01Å; E171-F173 HydrophobicContact CB-CE1 4.17Å; E171-F173 HydrophobicContact CB-CE2 4.41Å; E171-F173 HydrophobicContact CB-CZ 3.9Å; E171-F173 WeakPolarHBondContact O-CD2 3.45Å; E171-F173 WeakPolarHBondContact O-CE2 3.45Å; E171-F173 PolarHBondContact O-N 2.98Å
172	R	67.7	Low	73.1	Confident	205 Å²	205	98.6 Å²	98.6	77%	0.774	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-75.8	116.7	176.2	-69.4	170.4	170.2	-156.8	5.4	107.5	E181	R172-E181 HydrophobicContact CB-CG 4.42Å; R172-E181 WeakPolarHBondContact CB-OE1 3.37Å; R172-E181 WeakPolarHBondContact CD-OE1 3.33Å; R172-E181 WeakPolarHBondContact CG-OE1 3.31Å; R172-E181 IonicContact CZ-OE1 3.96Å; R172-E181 IonicContact NE-OE1 3.86Å; R172-E181 PolarHBondContact NE-OE1 2.91Å; R172-E181 IonicContact NH1-OE1 3.15Å
173	F	76.7	Confident	73.4	Confident	34 Å²	34	104.6 Å²	104.6	15%	0.149	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-93.2	149.4	-179.5	-61.4	-71.7	0	0	0	111	Y145 F159 Q161 E171 E181 L182	Y145-F173 AromaticContact CD2-CD2 3.95Å; Y145-F173 HydrophobicContact CD2-CD2 3.95Å; Y145-F173 HydrophobicContact CD2-CE2 4.27Å; Y145-F173 HydrophobicContact CE1-CD2 4.37Å; Y145-F173 AromaticContact CE2-CD2 3.74Å; Y145-F173 HydrophobicContact CE2-CD2 3.74Å; Y145-F173 AromaticContact CE2-CE2 3.69Å; Y145-F173 HydrophobicContact CE2-CE2 3.69Å; Y145-F173 HydrophobicContact CG-CD2 4.34Å; Y145-F173 AromaticContact CZ-CD2 3.96Å; Y145-F173 AromaticContact CZ-CE2 4Å; F159-F173 HydrophobicContact CD1-CB 4.38Å; F159-F173 HydrophobicContact CD1-CD1 4.16Å; F159-F173 AromaticContact CD1-CD2 3.74Å; F159-F173 HydrophobicContact CD1-CD2 3.74Å; F159-F173 HydrophobicContact CD1-CE1 4.45Å; F159-F173 HydrophobicContact CD1-CE2 4.05Å; F159-F173 AromaticContact CD1-CG 3.81Å; F159-F173 HydrophobicContact CD1-CG 3.81Å; F159-F173 HydrophobicContact CD1-CZ 4.41Å; F159-F173 AromaticContact CE1-CD1 3.48Å; F159-F173 HydrophobicContact CE1-CD1 3.48Å; F159-F173 VanDerWaalsContact CE1-CD1 3.48Å; F159-F173 AromaticContact CE1-CD2 3.56Å; F159-F173 HydrophobicContact CE1-CD2 3.56Å; F159-F173 AromaticContact CE1-CE1 3.42Å; F159-F173 HydrophobicContact CE1-CE1 3.42Å; F159-F173 VanDerWaalsContact CE1-CE1 3.42Å; F159-F173 AromaticContact CE1-CE2 3.51Å; F159-F173 HydrophobicContact CE1-CE2 3.51Å; F159-F173 AromaticContact CE1-CG 3.56Å; F159-F173 HydrophobicContact CE1-CG 3.56Å; F159-F173 AromaticContact CE1-CZ 3.44Å; F159-F173 HydrophobicContact CE1-CZ 3.44Å; F159-F173 VanDerWaalsContact CE1-CZ 3.44Å; F159-F173 AromaticContact CZ-CD1 3.71Å; F159-F173 HydrophobicContact CZ-CD1 3.71Å; F159-F173 AromaticContact CZ-CE1 3.62Å; F159-F173 HydrophobicContact CZ-CE1 3.62Å; F159-F173 HydrophobicContact CZ-CE2 4.49Å; F159-F173 HydrophobicContact CZ-CG 4.22Å; F159-F173 HydrophobicContact CZ-CZ 4.05Å; Q161-F173 HydrophobicContact CB-CE2 4.34Å; Q161-F173 HydrophobicContact CG-CE2 4.38Å; Q161-F173 HydrophobicContact CG-CZ 4.32Å; E171-F173 HydrophobicContact CB-CE1 4.17Å; E171-F173 HydrophobicContact CB-CE2 4.41Å; E171-F173 HydrophobicContact CB-CZ 3.9Å; E171-F173 WeakPolarHBondContact O-CD2 3.45Å; E171-F173 WeakPolarHBondContact O-CE2 3.45Å; E171-F173 PolarHBondContact O-N 2.98Å; F173-E181 WeakPolarHBondContact O-CA 3.39Å; F173-L182 HydrophobicContact CB-CB 4.37Å; F173-L182 HydrophobicContact CB-CD1 3.72Å; F173-L182 HydrophobicContact CB-CG 4.19Å; F173-L182 PolarHBondContact O-N 3.14Å
174	Q	85.8	Confident	74	Confident	133 Å²	133	104.1 Å²	104.1	62%	0.621	48%	0.476	S	S	*	.	B	Isolated β-bridge	trans	-108.8	142.9	173.2	-69.7	178.4	-14.8	0	0	109.7	K176 T180	Q174-K176 PolarHBondContact O-N 2.86Å; Q174-T180 WeakPolarHBondContact CA-O 3.01Å
175	C	84.8	Confident	74.9	Confident	5 Å²	5	102.8 Å²	102.8	3%	0.034	47%	0.465	C	S	.	.			trans	-61.4	133.9	174.1	-176.4	0	0	0	0	110.7	C147 F177 C178 Y179 T180 L182	C147-C175 HydrophobicContact CB-CB 4.3Å; C175-F177 PolarHBondContact O-N 2.88Å; C175-F177 PolarHBondContact SG-N 2.89Å; C175-C178 VanDerWaalsContact CB-SG 3.56Å; C175-Y179 WeakPolarHBondContact O-CA 3.17Å; C175-Y179 PolarHBondContact O-N 2.69Å; C175-T180 PolarHBondContact N-O 2.71Å; C175-L182 HydrophobicContact CB-CD2 3.69Å
176	K	83.6	Confident	76.2	Confident	177 Å²	177	106.3 Å²	106.3	77%	0.77	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.8	177.4	-66.5	-179.3	-178.7	173.7	0	113.5	Q174	Q174-K176 PolarHBondContact O-N 2.86Å
177	F	86.1	Confident	77.5	Confident	116 Å²	116	111.2 Å²	111.2	51%	0.509	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-51.4	-172.8	-57.4	-79.7	0	0	0	113	C152 P153 C175	C152-F177 VanDerWaalsContact SG-CB 3.58Å; P153-F177 HydrophobicContact CB-CD1 4.25Å; P153-F177 HydrophobicContact CB-CD2 4.24Å; P153-F177 HydrophobicContact CB-CE1 4.27Å; P153-F177 HydrophobicContact CB-CE2 4.25Å; P153-F177 HydrophobicContact CB-CG 4.23Å; P153-F177 HydrophobicContact CB-CZ 4.27Å; P153-F177 HydrophobicContact CG-CD1 4.42Å; P153-F177 HydrophobicContact CG-CG 4.5Å; C175-F177 PolarHBondContact O-N 2.88Å; C175-F177 PolarHBondContact SG-N 2.89Å
178	C	88.9	Confident	78.7	Confident	46 Å²	46	108.2 Å²	108.2	31%	0.311	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-0.4	-176.6	67	0	0	0	0	114.1	C147 C152 C175 T180	C147-C178 PolarHBondContact SG-SG 3.28Å; C152-C178 HydrophobicContact CB-CB 4.38Å; C152-C178 PolarHBondContact SG-SG 2.94Å; C175-C178 VanDerWaalsContact CB-SG 3.56Å; C178-T180 PolarHBondContact O-N 2.97Å; C178-T180 WeakPolarHBondContact SG-CB 3.44Å; C178-T180 PolarHBondContact SG-OG1 3.16Å
179	Y	85.6	Confident	80.1	Confident	163 Å²	163	105 Å²	105	64%	0.639	46%	0.463	S	S	*	.			trans	56.9	10.7	-177.1	-59.8	-83.5	0	0	0	115.5	C175	C175-Y179 WeakPolarHBondContact O-CA 3.17Å; C175-Y179 PolarHBondContact O-N 2.69Å
180	T	87.3	Confident	81.4	Confident	55 Å²	55	95 Å²	95	34%	0.337	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-70	144.3	174.4	-52.9	0	0	0	0	109.6	P148 Q174 C175 C178 L182	P148-T180 HydrophobicContact CG-CG2 3.76Å; Q174-T180 WeakPolarHBondContact CA-O 3.01Å; C175-T180 PolarHBondContact N-O 2.71Å; C178-T180 PolarHBondContact O-N 2.97Å; C178-T180 WeakPolarHBondContact SG-CB 3.44Å; C178-T180 PolarHBondContact SG-OG1 3.16Å; T180-L182 PolarHBondContact O-N 3.08Å
181	E	87.6	Confident	82.6	Confident	94 Å²	94	96.8 Å²	96.8	44%	0.439	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-60.9	126	176.3	-167.1	172.9	175.6	0	0	109.8	P148 R172 F173	P148-E181 WeakPolarHBondContact CD-O 3.45Å; R172-E181 HydrophobicContact CB-CG 4.42Å; R172-E181 WeakPolarHBondContact CB-OE1 3.37Å; R172-E181 WeakPolarHBondContact CD-OE1 3.33Å; R172-E181 WeakPolarHBondContact CG-OE1 3.31Å; R172-E181 IonicContact CZ-OE1 3.96Å; R172-E181 IonicContact NE-OE1 3.86Å; R172-E181 PolarHBondContact NE-OE1 2.91Å; R172-E181 IonicContact NH1-OE1 3.15Å; F173-E181 WeakPolarHBondContact O-CA 3.39Å
182	L	86.8	Confident	83.6	Confident	22 Å²	22	91 Å²	91	12%	0.115	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-70.4	141.5	-178.8	-61	180	0	0	0	110.3	Y145 S146 C147 F159 F173 C175 T180	Y145-L182 HydrophobicContact CD1-CB 4.44Å; Y145-L182 HydrophobicContact CG-CB 4.45Å; S146-L182 WeakPolarHBondContact O-CA 2.79Å; C147-L182 HydrophobicContact CB-CD2 4.04Å; F159-L182 HydrophobicContact CB-CD1 3.65Å; F159-L182 HydrophobicContact CG-CD1 4.16Å; F173-L182 HydrophobicContact CB-CB 4.37Å; F173-L182 HydrophobicContact CB-CD1 3.72Å; F173-L182 HydrophobicContact CB-CG 4.19Å; F173-L182 PolarHBondContact O-N 3.14Å; C175-L182 HydrophobicContact CB-CD2 3.69Å; T180-L182 PolarHBondContact O-N 3.08Å
183	R	86.6	Confident	84.5	Confident	175 Å²	175	83.3 Å²	83.3	66%	0.66	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.6	178.9	-173.4	176.9	179.3	178.8	-0.8	110	Y145 S146 P148	Y145-R183 CarbonylContact C-O 3.56Å; Y145-R183 VanDerWaalsContact CA-O 3.25Å; Y145-R183 WeakPolarHBondContact CA-O 3.4Å; S146-R183 PolarHBondContact N-O 2.81Å; S146-R183 PolarHBondContact O-N 3.42Å; P148-R183 HydrophobicContact CB-CB 4.45Å
184	E	85.6	Confident	85.1	Confident	43 Å²	43	84.5 Å²	84.5	20%	0.201	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.9	175.6	-179.7	173.5	-167.2	0	0	112	V143 Y145 I186 R189	V143-E184 HydrophobicContact CG1-CG 3.56Å; V143-E184 WeakPolarHBondContact CG1-OE1 3.46Å; Y145-E184 HydrophobicContact CD1-CB 4.02Å; Y145-E184 HydrophobicContact CE1-CB 3.95Å; E184-I186 HydrophobicContact CG-CG1 4.26Å; E184-I186 PolarHBondContact O-N 2.6Å; E184-R189 IonicContact OE1-CZ 3.77Å; E184-R189 IonicContact OE1-NE 3.89Å; E184-R189 PolarHBondContact OE1-NE 3.17Å; E184-R189 IonicContact OE1-NH2 3.41Å; E184-R189 PolarHBondContact OE1-NH2 2.86Å; E184-R189 IonicContact OE2-CZ 2.78Å; E184-R189 IonicContact OE2-NH2 3.69Å; E184-R189 PolarHBondContact OE2-NH2 3.21Å
185	E	84.7	Confident	85.1	Confident	50 Å²	50	78.2 Å²	78.2	23%	0.234	35%	0.351	C	S	.	.			trans	-89.2	80.4	174.2	-67.9	-80.1	153.6	0	0	110.1	L144 S146 Y158 E187 K188	L144-E185 HydrophobicContact CB-CB 4.29Å; L144-E185 PolarHBondContact O-N 2.82Å; S146-E185 WeakPolarHBondContact CB-OE1 3.36Å; S146-E185 PolarHBondContact OG-OE1 3.09Å; Y158-E185 HydrophobicContact CD1-CG 4.41Å; Y158-E185 HydrophobicContact CE1-CG 4.1Å; E185-E187 PolarHBondContact O-N 2.8Å; E185-K188 HydrophobicContact CB-CB 4.1Å; E185-K188 HydrophobicContact CB-CD 4Å; E185-K188 HydrophobicContact CB-CG 4.29Å; E185-K188 HydrophobicContact CG-CD 4.29Å; E185-K188 PolarHBondContact O-N 2.96Å; E185-K188 WeakPolarHBondContact OE2-CE 3.27Å; E185-K188 IonicContact OE2-NZ 2.64Å; E185-K188 PolarHBondContact OE2-NZ 3.28Å
186	I	83.2	Confident	85.3	Confident	106 Å²	106	78.5 Å²	78.5	54%	0.544	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-56.4	-37.8	-172.1	-57.5	172.7	0	0	0	112.4	E184 K188 R189	E184-I186 HydrophobicContact CG-CG1 4.26Å; E184-I186 PolarHBondContact O-N 2.6Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 2.8Å; I186-R189 WeakPolarHBondContact O-CB 3.4Å; I186-R189 WeakPolarHBondContact O-CG 3.3Å; I186-R189 PolarHBondContact O-N 2.96Å
187	E	81.2	Confident	85.5	Confident	194 Å²	194	70.2 Å²	70.2	91%	0.907	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-70.3	-21.9	-179.1	-61.6	-176.9	173.7	0	0	113.3	E185	E185-E187 PolarHBondContact O-N 2.8Å
188	K	77.9	Confident	85.6	Confident	81 Å²	81	65.5 Å²	65.5	35%	0.352	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-95.1	2.9	-178.7	-62.5	175	-175.2	148.3	0	112.6	L37 L144 Y158 E185 I186 L190	L37-K188 HydrophobicContact CD1-CD 4.01Å; L144-K188 HydrophobicContact CD1-CB 4.35Å; L144-K188 VanDerWaalsContact CD1-O 3.26Å; L144-K188 WeakPolarHBondContact CD1-O 3.33Å; L144-K188 HydrophobicContact CD2-CB 4.27Å; Y158-K188 HydrophobicContact CE1-CD 4.06Å; Y158-K188 PolarHBondContact OH-NZ 3.01Å; E185-K188 HydrophobicContact CB-CB 4.1Å; E185-K188 HydrophobicContact CB-CD 4Å; E185-K188 HydrophobicContact CB-CG 4.29Å; E185-K188 HydrophobicContact CG-CD 4.29Å; E185-K188 PolarHBondContact O-N 2.96Å; E185-K188 WeakPolarHBondContact OE2-CE 3.27Å; E185-K188 IonicContact OE2-NZ 2.64Å; E185-K188 PolarHBondContact OE2-NZ 3.28Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 2.8Å; K188-L190 PolarHBondContact O-N 2.9Å
189	R	82	Confident	85.5	Confident	72 Å²	72	63.3 Å²	63.3	27%	0.272	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-55.5	133.6	177.3	-78.4	179.7	177.8	172	1.6	111.3	T140 V143 E184 I186 F191	T140-R189 HydrophobicContact CG2-CB 4.14Å; T140-R189 HydrophobicContact CG2-CG 4.06Å; V143-R189 HydrophobicContact CG2-CG 4.44Å; E184-R189 IonicContact OE1-CZ 3.77Å; E184-R189 IonicContact OE1-NE 3.89Å; E184-R189 PolarHBondContact OE1-NE 3.17Å; E184-R189 IonicContact OE1-NH2 3.41Å; E184-R189 PolarHBondContact OE1-NH2 2.86Å; E184-R189 IonicContact OE2-CZ 2.78Å; E184-R189 IonicContact OE2-NH2 3.69Å; E184-R189 PolarHBondContact OE2-NH2 3.21Å; I186-R189 WeakPolarHBondContact O-CB 3.4Å; I186-R189 WeakPolarHBondContact O-CG 3.3Å; I186-R189 PolarHBondContact O-N 2.96Å; R189-F191 HydrophobicContact CB-CE2 3.83Å; R189-F191 HydrophobicContact CB-CZ 3.87Å
190	L	83.1	Confident	85.5	Confident	19 Å²	19	56.4 Å²	56.4	10%	0.099	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.2	172.7	-174.8	69.2	0	0	0	109.1	V38 I96 T140 K141 A142 K188	V38-L190 HydrophobicContact CG1-CD2 4.09Å; I96-L190 HydrophobicContact CD1-CD2 3.59Å; T140-L190 CarbonylContact C-O 3.56Å; K141-L190 HydrophobicContact CB-CD2 4.47Å; K141-L190 HydrophobicContact CB-CG 4.48Å; K141-L190 PolarHBondContact N-O 3.28Å; A142-L190 HydrophobicContact CB-CB 4.17Å; A142-L190 HydrophobicContact CB-CD2 4.47Å; A142-L190 PolarHBondContact N-O 2.98Å; A142-L190 PolarHBondContact O-N 3.3Å; K188-L190 PolarHBondContact O-N 2.9Å
191	F	84.4	Confident	85.2	Confident	118 Å²	118	54.3 Å²	54.3	52%	0.518	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.2	176.6	-63.7	-79.3	0	0	0	112.1	F139 R189	F139-F191 WeakPolarHBondContact O-CA 2.86Å; R189-F191 HydrophobicContact CB-CE2 3.83Å; R189-F191 HydrophobicContact CB-CZ 3.87Å
192	S	85.8	Confident	84.6	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.1	176.6	168.2	0	0	0	0	109.9	F138 F139 D222	F138-S192 WeakPolarHBondContact CA-O 3.4Å; F139-S192 WeakPolarHBondContact CD1-O 3.39Å; F139-S192 VanDerWaalsContact CE1-CB 3.45Å; F139-S192 WeakPolarHBondContact CE1-OG 3.33Å; F139-S192 VanDerWaalsContact CZ-OG 3.32Å; F139-S192 WeakPolarHBondContact CZ-OG 3.17Å; F139-S192 PolarHBondContact N-O 3.01Å; F139-S192 PolarHBondContact O-N 3.12Å; S192-D222 WeakPolarHBondContact CB-OD1 3.22Å; S192-D222 PolarHBondContact OG-OD1 2.87Å; S192-D222 PolarHBondContact OG-OD2 3.43Å
193	K	87.4	Confident	83.6	Confident	42 Å²	42	55.1 Å²	55.1	18%	0.183	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139	178.7	-65.6	175	174.7	-176.3	0	109.2	V136 F138 Y221 D222 I225 E484	V136-K193 HydrophobicContact CG1-CB 3.94Å; V136-K193 HydrophobicContact CG1-CD 4.21Å; V136-K193 HydrophobicContact CG1-CG 4.09Å; F138-K193 HydrophobicContact CD1-CG 4.02Å; F138-K193 HydrophobicContact CE1-CD 4.27Å; F138-K193 HydrophobicContact CE1-CG 3.52Å; F138-K193 HydrophobicContact CZ-CD 4.44Å; F138-K193 HydrophobicContact CZ-CG 4.02Å; K193-Y221 WeakPolarHBondContact O-CA 3.18Å; K193-D222 PolarHBondContact N-OD1 2.93Å; K193-D222 PolarHBondContact O-N 3.4Å; K193-I225 HydrophobicContact CB-CD1 3.62Å; K193-E484 IonicContact NZ-OE1 2.71Å; K193-E484 PolarHBondContact NZ-OE1 2.7Å; K193-E484 IonicContact NZ-OE2 3.06Å; K193-E484 PolarHBondContact NZ-OE2 2.9Å
194	R	87.9	Confident	82.1	Confident	60 Å²	60	52.6 Å²	52.6	23%	0.226	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.6	169.6	69.3	178.4	-177.2	-177.1	-7.5	111.3	H137 F139 D165 T219 V220 Y221	H137-R194 HydrophobicContact CB-CG 4.05Å; H137-R194 PolarHBondContact N-O 2.99Å; H137-R194 PolarHBondContact O-N 3.3Å; F139-R194 HydrophobicContact CD1-CB 3.87Å; F139-R194 HydrophobicContact CD1-CG 3.77Å; F139-R194 HydrophobicContact CE1-CB 3.84Å; F139-R194 HydrophobicContact CE1-CG 4.27Å; D165-R194 IonicContact OD1-CZ 2.65Å; D165-R194 IonicContact OD1-NH1 2.84Å; D165-R194 PolarHBondContact OD1-NH1 3.3Å; D165-R194 IonicContact OD2-CZ 2.72Å; D165-R194 IonicContact OD2-NH1 2.75Å; D165-R194 PolarHBondContact OD2-NH1 3.02Å; R194-T219 HydrophobicContact CB-CG2 4.49Å; R194-V220 CarbonylContact C-O 3.52Å; R194-V220 VanDerWaalsContact CA-O 3.3Å; R194-V220 WeakPolarHBondContact CA-O 3.37Å; R194-Y221 HydrophobicContact CB-CD1 3.78Å; R194-Y221 HydrophobicContact CB-CE1 3.83Å
195	V	87.2	Confident	80.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.7	171.8	171.2	0	0	0	0	108	I133 V136 T219 V220 I225 L228	I133-V195 HydrophobicContact CG2-CG1 3.54Å; V136-V195 HydrophobicContact CB-CG2 4.14Å; V136-V195 HydrophobicContact CG1-CG2 4.36Å; V136-V195 HydrophobicContact CG2-CG2 3.67Å; V195-T219 WeakPolarHBondContact O-CA 3.5Å; V195-V220 PolarHBondContact N-O 3.14Å; V195-V220 PolarHBondContact O-N 2.64Å; V195-I225 HydrophobicContact CB-CG1 4.32Å; V195-I225 HydrophobicContact CG2-CD1 3.97Å; V195-I225 HydrophobicContact CG2-CG1 4.05Å; V195-I225 HydrophobicContact CG2-CG2 3.77Å; V195-L228 HydrophobicContact CB-CD1 4.35Å; V195-L228 HydrophobicContact CG1-CD1 3.94Å
196	A	88.4	Confident	78.6	Confident	12 Å²	12	57.5 Å²	57.5	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.2	165.2	0	0	0	0	0	110	T134 C218	T134-A196 WeakPolarHBondContact CB-O 2.88Å; T134-A196 HydrophobicContact CG2-CB 4.01Å; T134-A196 PolarHBondContact N-O 2.97Å; T134-A196 WeakPolarHBondContact OG1-CA 3.18Å; T134-A196 PolarHBondContact OG1-N 3.44Å; T134-A196 PolarHBondContact OG1-O 3.04Å; A196-C218 CarbonylContact C-O 3.52Å; A196-C218 VanDerWaalsContact CA-O 3.25Å; A196-C218 WeakPolarHBondContact CA-O 3.43Å
197	F	88.7	Confident	76.7	Confident	3 Å²	3	54.8 Å²	54.8	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.2	176.7	73	-81.2	0	0	0	111	V130 G132 I133 L199 C218 V220 L228 I236 V255	V130-F197 HydrophobicContact CB-CD2 4.44Å; V130-F197 HydrophobicContact CG1-CB 4.34Å; V130-F197 HydrophobicContact CG1-CD2 3.91Å; V130-F197 HydrophobicContact CG1-CG 4.49Å; V130-F197 HydrophobicContact CG2-CD2 3.93Å; V130-F197 HydrophobicContact CG2-CE2 3.94Å; G132-F197 CarbonylContact O-C 3.6Å; G132-F197 WeakPolarHBondContact O-CA 3.49Å; G132-F197 WeakPolarHBondContact O-CB 3.29Å; I133-F197 HydrophobicContact CG1-CB 4.05Å; F197-L199 HydrophobicContact CE2-CB 4.04Å; F197-L199 HydrophobicContact CE2-CD1 4Å; F197-C218 HydrophobicContact CD1-CB 3.69Å; F197-C218 HydrophobicContact CD2-CB 4.13Å; F197-C218 HydrophobicContact CE1-CB 3.14Å; F197-C218 HydrophobicContact CE2-CB 3.69Å; F197-C218 HydrophobicContact CG-CB 4.15Å; F197-C218 HydrophobicContact CZ-CB 3.18Å; F197-C218 PolarHBondContact N-O 2.81Å; F197-C218 PolarHBondContact O-N 3.05Å; F197-V220 HydrophobicContact CD1-CG2 4.03Å; F197-V220 HydrophobicContact CE1-CB 4.37Å; F197-V220 HydrophobicContact CE1-CG2 3.37Å; F197-V220 HydrophobicContact CZ-CG2 4.28Å; F197-L228 HydrophobicContact CD1-CD1 4.12Å; F197-L228 HydrophobicContact CD1-CD2 3.86Å; F197-L228 HydrophobicContact CD2-CD2 4.19Å; F197-L228 HydrophobicContact CE1-CD2 3.88Å; F197-L228 HydrophobicContact CE2-CD2 4.16Å; F197-L228 HydrophobicContact CG-CD1 4.5Å; F197-L228 HydrophobicContact CG-CD2 4.02Å; F197-L228 HydrophobicContact CZ-CD2 4Å; F197-I236 HydrophobicContact CZ-CD1 4.37Å; F197-I236 HydrophobicContact CZ-CG2 4.48Å; F197-V255 HydrophobicContact CE1-CG2 3.9Å; F197-V255 HydrophobicContact CZ-CG2 3.97Å
198	L	87.6	Confident	75.1	Confident	16 Å²	16	48 Å²	48	8%	0.084	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.6	176.4	-62	179.2	0	0	0	108.8	I131 G132 I216 K217 M427	I131-L198 HydrophobicContact CD1-CB 4.21Å; I131-L198 HydrophobicContact CG1-CB 3.63Å; I131-L198 WeakPolarHBondContact CG1-O 3.11Å; I131-L198 PolarHBondContact N-O 3.13Å; G132-L198 PolarHBondContact O-N 2.84Å; L198-I216 WeakPolarHBondContact CA-O 3.34Å; L198-K217 HydrophobicContact CD2-CB 4.26Å; L198-M427 HydrophobicContact CD1-CE 4.4Å; L198-M427 HydrophobicContact CD1-SD 4.15Å
199	L	87.2	Confident	73.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.9	173.9	-169.7	88.2	0	0	0	109.9	I126 V130 F197 P201 S215 I216 I236	I126-L199 HydrophobicContact CB-CD2 4Å; I126-L199 HydrophobicContact CG2-CD2 3.54Å; V130-L199 HydrophobicContact CG2-CD1 4.35Å; F197-L199 HydrophobicContact CE2-CB 4.04Å; F197-L199 HydrophobicContact CE2-CD1 4Å; L199-P201 WeakPolarHBondContact O-CD 3.39Å; L199-S215 CarbonylContact O-C 3.57Å; L199-S215 WeakPolarHBondContact O-CA 3.08Å; L199-I216 PolarHBondContact N-O 3.25Å; L199-I216 PolarHBondContact O-N 2.83Å; L199-I236 HydrophobicContact CD1-CD1 4.37Å; L199-I236 HydrophobicContact CD1-CG2 4.44Å; L199-I236 HydrophobicContact CD2-CD1 3.57Å; L199-I236 HydrophobicContact CD2-CG1 4Å; L199-I236 HydrophobicContact CG-CD1 4.39Å
200	L	84.1	Confident	71.9	Confident	19 Å²	19	49.2 Å²	49.2	10%	0.099	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	108.2	167.7	-173.9	71	0	0	0	109.2	G128 V129 I131 I210 N213	G128-L200 CarbonylContact C-O 3.45Å; G128-L200 WeakPolarHBondContact CA-O 3.24Å; V129-L200 PolarHBondContact N-O 3.29Å; V129-L200 PolarHBondContact O-N 3.33Å; I131-L200 HydrophobicContact CD1-CB 4.46Å; I131-L200 HydrophobicContact CG2-CB 3.77Å; I131-L200 HydrophobicContact CG2-CD2 4.49Å; L200-I210 HydrophobicContact CD2-CB 4.35Å; L200-I210 HydrophobicContact CD2-CG1 4.08Å; L200-I210 HydrophobicContact CD2-CG2 3.6Å; L200-N213 HydrophobicContact CD1-CB 3.71Å
201	P	81.3	Confident	69.9	Low	10 Å²	10	51.6 Å²	51.6	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	148.8	179.6	28.2	-34	0	0	0	111.5	Y112 I126 E127 L199 I216	Y112-P201 HydrophobicContact CD1-CB 4.45Å; Y112-P201 HydrophobicContact CE1-CB 4.35Å; I126-P201 HydrophobicContact CG2-CB 4.08Å; E127-P201 WeakPolarHBondContact O-CA 3.5Å; L199-P201 WeakPolarHBondContact O-CD 3.39Å; P201-I216 HydrophobicContact CB-CD1 4.36Å; P201-I216 HydrophobicContact CG-CD1 4.13Å
202	K	74.9	Confident	68.1	Low	82 Å²	82	52.7 Å²	52.7	36%	0.357	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-62.8	143.9	174.8	-179.1	175.8	179.9	-179.3	0	111.4	N114 E127	N114-K202 PolarHBondContact ND2-O 3.21Å; E127-K202 HydrophobicContact CB-CB 4.5Å; E127-K202 HydrophobicContact CG-CB 4.44Å; E127-K202 HydrophobicContact CG-CD 4.14Å; E127-K202 PolarHBondContact O-N 3.37Å; E127-K202 VanDerWaalsContact OE1-CD 3.25Å; E127-K202 WeakPolarHBondContact OE1-CD 3.28Å; E127-K202 IonicContact OE1-NZ 3.14Å; E127-K202 PolarHBondContact OE1-NZ 2.84Å; E127-K202 WeakPolarHBondContact OE2-CD 3.49Å; E127-K202 IonicContact OE2-NZ 3.23Å; E127-K202 PolarHBondContact OE2-NZ 3.33Å
203	R	65.4	Low	66.4	Low	52 Å²	52	55 Å²	55	20%	0.196	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-84.7	146.1	173.6	-73.8	-177.8	169.5	158	-3.8	111.6	D205 I209 T211 N213	R203-D205 PolarHBondContact O-N 3.42Å; R203-I209 PolarHBondContact NH1-O 3.38Å; R203-T211 PolarHBondContact NH1-OG1 2.86Å; R203-T211 PolarHBondContact NH2-O 3.43Å; R203-T211 PolarHBondContact NH2-OG1 3.16Å; R203-N213 VanDerWaalsContact CG-ND2 3.31Å; R203-N213 WeakPolarHBondContact CG-ND2 3.19Å; R203-N213 VanDerWaalsContact NE-CG 3.26Å; R203-N213 PolarHBondContact NE-ND2 3.39Å; R203-N213 PolarHBondContact NE-OD1 2.95Å; R203-N213 PolarHBondContact NH2-OD1 2.85Å
204	E	56.2	Low	65.5	Low	122 Å²	122	64.3 Å²	64.3	57%	0.57	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.4	173.7	-67.8	177.3	-170.7	0	0	111.4	N113 N114 G206	N113-E204 WeakPolarHBondContact CB-OE1 3.38Å; N114-E204 PolarHBondContact N-OE1 3.07Å; E204-G206 PolarHBondContact O-N 3.01Å
205	D	47.6	Very low	65.1	Low	140 Å²	140	63.4 Å²	63.4	75%	0.749	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	2.7	-177.1	-57.8	-22.3	0	0	0	114.6	R203 S207	R203-D205 PolarHBondContact O-N 3.42Å; D205-S207 PolarHBondContact O-N 2.82Å
206	G	48.3	Very low	64.9	Low	56 Å²	56	64 Å²	64	58%	0.577	33%	0.333	S	S	*	.			trans	63.6	-6.3	-178.4	0	0	0	0	0	115.2	E204 E208	E204-G206 PolarHBondContact O-N 3.01Å; G206-E208 PolarHBondContact O-N 2.73Å
207	S	43.6	Very low	64.9	Low	48 Å²	48	64.7 Å²	64.7	34%	0.336	33%	0.334	S	S	.	.			trans	-72.9	108.3	176.7	56.8	0	0	0	0	109.9	D205 I209	D205-S207 PolarHBondContact O-N 2.82Å; S207-I209 PolarHBondContact O-N 2.7Å
208	E	48.5	Very low	65	Low	53 Å²	53	64.5 Å²	64.5	25%	0.248	33%	0.333	C	S	.	.			trans	-77.8	6.2	175.1	-62.6	-166.5	157.9	0	0	112.8	G206 I210 R233	G206-E208 PolarHBondContact O-N 2.73Å; E208-I210 PolarHBondContact O-N 3.28Å; E208-R233 IonicContact OE1-CZ 4Å; E208-R233 IonicContact OE1-NH1 2.7Å; E208-R233 PolarHBondContact OE1-NH1 3.42Å; E208-R233 IonicContact OE1-NH2 3.6Å; E208-R233 PolarHBondContact OE1-NH2 2.72Å
209	I	43.4	Very low	65.2	Low	109 Å²	109	64.1 Å²	64.1	56%	0.559	33%	0.331	S	S	*	.			trans	-62.9	105.7	171.5	-51.3	176.6	0	0	0	107.4	R203 S207 T211	R203-I209 PolarHBondContact NH1-O 3.38Å; S207-I209 PolarHBondContact O-N 2.7Å; I209-T211 HydrophobicContact CG2-CG2 3.89Å; I209-T211 PolarHBondContact O-N 3.01Å
210	I	48	Very low	65.4	Low	68 Å²	68	64.1 Å²	64.1	35%	0.349	33%	0.331	S	S	.	.			trans	-66.7	73.3	172	-54.7	169.4	0	0	0	108	L200 E208 L433	L200-I210 HydrophobicContact CD2-CB 4.35Å; L200-I210 HydrophobicContact CD2-CG1 4.08Å; L200-I210 HydrophobicContact CD2-CG2 3.6Å; E208-I210 PolarHBondContact O-N 3.28Å; I210-L433 HydrophobicContact CD1-CB 4.43Å; I210-L433 HydrophobicContact CD1-CD1 4.03Å; I210-L433 HydrophobicContact CD1-CD2 4.13Å; I210-L433 HydrophobicContact CD1-CG 4.44Å
211	T	42.2	Very low	65.6	Low	69 Å²	69	64.5 Å²	64.5	42%	0.423	33%	0.331	S	S	.	.			trans	-81.7	123.8	155	59.8	0	0	0	0	105.6	R203 I209 N213	R203-T211 PolarHBondContact NH1-OG1 2.86Å; R203-T211 PolarHBondContact NH2-O 3.43Å; R203-T211 PolarHBondContact NH2-OG1 3.16Å; I209-T211 HydrophobicContact CG2-CG2 3.89Å; I209-T211 PolarHBondContact O-N 3.01Å; T211-N213 VanDerWaalsContact C-N 3.33Å; T211-N213 PolarHBondContact O-N 3.26Å
212	L	46.4	Very low	65.8	Low	141 Å²	141	65.9 Å²	65.9	74%	0.738	34%	0.339	S	S	*	.			trans	-43.6	90.2	-171.3	-76	156.6	0	0	0	112.7
213	N	51.1	Low	66.3	Low	54 Å²	54	67.3 Å²	67.3	29%	0.289	35%	0.345	S	S	.	.			trans	-77.8	159	168.2	-105.9	9.7	0	0	0	108.6	L200 R203 T211 S215	L200-N213 HydrophobicContact CD1-CB 3.71Å; R203-N213 VanDerWaalsContact CG-ND2 3.31Å; R203-N213 WeakPolarHBondContact CG-ND2 3.19Å; R203-N213 VanDerWaalsContact NE-CG 3.26Å; R203-N213 PolarHBondContact NE-ND2 3.39Å; R203-N213 PolarHBondContact NE-OD1 2.95Å; R203-N213 PolarHBondContact NH2-OD1 2.85Å; T211-N213 VanDerWaalsContact C-N 3.33Å; T211-N213 PolarHBondContact O-N 3.26Å; N213-S215 PolarHBondContact O-N 2.89Å
214	R	68.3	Low	67.3	Low	237 Å²	237	65.3 Å²	65.3	89%	0.894	34%	0.338	S	S	*	.			trans	-61.1	112.7	177	-71.7	-178.7	173.7	174.4	-2.2	109.2
215	S	78.6	Confident	68.8	Low	40 Å²	40	59.6 Å²	59.6	28%	0.28	31%	0.311	S	S	.	.			trans	-72.6	148.2	171.7	58.9	0	0	0	0	110.7	L199 N213	L199-S215 CarbonylContact O-C 3.57Å; L199-S215 WeakPolarHBondContact O-CA 3.08Å; N213-S215 PolarHBondContact O-N 2.89Å
216	I	83.7	Confident	70.4	Confident	14 Å²	14	56.7 Å²	56.7	7%	0.072	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.2	174.8	-60.5	158.5	0	0	0	108.2	Y112 F118 I126 L198 L199 P201 C218 F253	Y112-I216 HydrophobicContact CE1-CD1 4.32Å; F118-I216 HydrophobicContact CZ-CD1 3.88Å; F118-I216 HydrophobicContact CZ-CG1 4.26Å; F118-I216 HydrophobicContact CZ-CG2 4.31Å; I126-I216 HydrophobicContact CD1-CD1 3.78Å; I126-I216 HydrophobicContact CG2-CD1 4.34Å; L198-I216 WeakPolarHBondContact CA-O 3.34Å; L199-I216 PolarHBondContact N-O 3.25Å; L199-I216 PolarHBondContact O-N 2.83Å; P201-I216 HydrophobicContact CB-CD1 4.36Å; P201-I216 HydrophobicContact CG-CD1 4.13Å; I216-C218 PolarHBondContact O-N 2.81Å; I216-F253 HydrophobicContact CG2-CB 3.93Å
217	K	87.6	Confident	72.1	Confident	25 Å²	25	57.8 Å²	57.8	11%	0.109	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	112.1	172.4	-175.5	170.1	-178.7	168.6	0	108.5	L198 Q252 F253 E423	L198-K217 HydrophobicContact CD2-CB 4.26Å; K217-Q252 WeakPolarHBondContact O-CA 3.35Å; K217-F253 PolarHBondContact O-N 2.78Å; K217-E423 IonicContact NZ-OE2 2.74Å; K217-E423 PolarHBondContact NZ-OE2 3.27Å
218	C	91	Very high	74	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	154.7	-179.9	-60.4	0	0	0	0	110.2	A196 F197 I216 F253 V255	A196-C218 CarbonylContact C-O 3.52Å; A196-C218 VanDerWaalsContact CA-O 3.25Å; A196-C218 WeakPolarHBondContact CA-O 3.43Å; F197-C218 HydrophobicContact CD1-CB 3.69Å; F197-C218 HydrophobicContact CD2-CB 4.13Å; F197-C218 HydrophobicContact CE1-CB 3.14Å; F197-C218 HydrophobicContact CE2-CB 3.69Å; F197-C218 HydrophobicContact CG-CB 4.15Å; F197-C218 HydrophobicContact CZ-CB 3.18Å; F197-C218 PolarHBondContact N-O 2.81Å; F197-C218 PolarHBondContact O-N 3.05Å; I216-C218 PolarHBondContact O-N 2.81Å; C218-F253 CarbonylContact C-O 3.56Å; C218-F253 VanDerWaalsContact CA-O 3.22Å; C218-F253 WeakPolarHBondContact CA-O 3.15Å; C218-F253 HydrophobicContact CB-CB 4.38Å; C218-V255 HydrophobicContact CB-CG2 4.02Å
219	T	91.3	Very high	75.4	Confident	8 Å²	8	56 Å²	56	5%	0.049	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	128.9	178.2	-48.8	0	0	0	0	109.6	R194 V195 Y221 F253 V255	R194-T219 HydrophobicContact CB-CG2 4.49Å; V195-T219 WeakPolarHBondContact O-CA 3.5Å; T219-Y221 HydrophobicContact CG2-CE1 4.47Å; T219-Y221 HydrophobicContact CG2-CE2 3.89Å; T219-F253 PolarHBondContact N-O 2.98Å; T219-V255 PolarHBondContact O-N 2.89Å
220	V	91.3	Very high	77.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148	-177.4	168.3	0	0	0	0	109.4	R194 V195 F197 L224 I225 L228 V255 I258	R194-V220 CarbonylContact C-O 3.52Å; R194-V220 VanDerWaalsContact CA-O 3.3Å; R194-V220 WeakPolarHBondContact CA-O 3.37Å; V195-V220 PolarHBondContact N-O 3.14Å; V195-V220 PolarHBondContact O-N 2.64Å; F197-V220 HydrophobicContact CD1-CG2 4.03Å; F197-V220 HydrophobicContact CE1-CB 4.37Å; F197-V220 HydrophobicContact CE1-CG2 3.37Å; F197-V220 HydrophobicContact CZ-CG2 4.28Å; V220-L224 HydrophobicContact CG1-CB 3.32Å; V220-I225 HydrophobicContact CG1-CG1 4Å; V220-L228 HydrophobicContact CB-CD1 4.22Å; V220-L228 HydrophobicContact CG1-CD1 4.36Å; V220-L228 HydrophobicContact CG2-CD1 4.42Å; V220-L228 HydrophobicContact CG2-CD2 4.41Å; V220-V255 HydrophobicContact CG2-CB 3.52Å; V220-V255 HydrophobicContact CG2-CG1 3.84Å; V220-V255 HydrophobicContact CG2-CG2 3.81Å; V220-I258 HydrophobicContact CG1-CD1 4.44Å; V220-I258 HydrophobicContact CG2-CD1 3.86Å
221	Y	88.9	Confident	78.3	Confident	26 Å²	26	48.1 Å²	48.1	10%	0.102	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	149	-174.6	-60.4	-92.1	0	0	0	111.5	F139 D165 K193 R194 T219 K223 L224 K254	F139-Y221 AromaticContact CE1-CD1 3.51Å; F139-Y221 HydrophobicContact CE1-CD1 3.51Å; F139-Y221 AromaticContact CE1-CE1 3.76Å; F139-Y221 HydrophobicContact CE1-CE1 3.76Å; F139-Y221 HydrophobicContact CE2-CD1 4.5Å; F139-Y221 HydrophobicContact CE2-CE1 4.22Å; F139-Y221 AromaticContact CZ-CD1 3.43Å; F139-Y221 HydrophobicContact CZ-CD1 3.43Å; F139-Y221 VanDerWaalsContact CZ-CD1 3.43Å; F139-Y221 AromaticContact CZ-CE1 3.52Å; F139-Y221 HydrophobicContact CZ-CE1 3.52Å; D165-Y221 PolarHBondContact OD2-OH 3.06Å; K193-Y221 WeakPolarHBondContact O-CA 3.18Å; R194-Y221 HydrophobicContact CB-CD1 3.78Å; R194-Y221 HydrophobicContact CB-CE1 3.83Å; T219-Y221 HydrophobicContact CG2-CE1 4.47Å; T219-Y221 HydrophobicContact CG2-CE2 3.89Å; Y221-K223 PolarHBondContact O-N 2.81Å; Y221-L224 PolarHBondContact O-N 3.39Å; Y221-L224 VanDerWaalsContact O-N 3.14Å; Y221-K254 HydrophobicContact CE2-CD 4.01Å; Y221-K254 HydrophobicContact CE2-CG 3.91Å
222	D	86.1	Confident	79.9	Confident	40 Å²	40	46.2 Å²	46.2	21%	0.214	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	44.3	-116	166.9	-61.6	-39.7	0	0	0	113.8	K141 S192 K193 L224 I225	K141-D222 IonicContact NZ-OD2 3.61Å; K141-D222 PolarHBondContact NZ-OD2 3.07Å; S192-D222 WeakPolarHBondContact CB-OD1 3.22Å; S192-D222 PolarHBondContact OG-OD1 2.87Å; S192-D222 PolarHBondContact OG-OD2 3.43Å; K193-D222 PolarHBondContact N-OD1 2.93Å; K193-D222 PolarHBondContact O-N 3.4Å; D222-L224 PolarHBondContact O-N 3.11Å; D222-I225 WeakPolarHBondContact O-CB 3.28Å; D222-I225 WeakPolarHBondContact O-CG1 3.35Å; D222-I225 PolarHBondContact O-N 2.94Å; D222-I225 VanDerWaalsContact O-N 3.12Å
223	K	85.3	Confident	81.4	Confident	112 Å²	112	42.6 Å²	42.6	49%	0.487	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-65	-23.5	-171.4	-65.8	-173.1	-178.5	-173.8	0	114.2	Y44 I100 Y221 I225 S226	Y44-K223 WeakPolarHBondContact OH-CD 3.31Å; Y44-K223 PolarHBondContact OH-NZ 2.84Å; I100-K223 HydrophobicContact CD1-CD 4.4Å; Y221-K223 PolarHBondContact O-N 2.81Å; K223-I225 VanDerWaalsContact C-N 3.25Å; K223-I225 PolarHBondContact O-N 2.91Å; K223-S226 PolarHBondContact O-OG 2.82Å
224	L	86.9	Confident	83	Confident	9 Å²	9	40.3 Å²	40.3	5%	0.047	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-77.4	-15	-179.8	-71.5	175	0	0	0	111.8	I100 V220 Y221 D222 S226 K227	I100-L224 HydrophobicContact CG2-CD2 4.16Å; V220-L224 HydrophobicContact CG1-CB 3.32Å; Y221-L224 PolarHBondContact O-N 3.39Å; Y221-L224 VanDerWaalsContact O-N 3.14Å; D222-L224 PolarHBondContact O-N 3.11Å; L224-S226 VanDerWaalsContact C-N 3.32Å; L224-S226 PolarHBondContact O-N 3.2Å; L224-K227 HydrophobicContact CD2-CD 4.03Å; L224-K227 WeakPolarHBondContact O-CB 3.42Å; L224-K227 PolarHBondContact O-N 2.93Å; L224-K227 VanDerWaalsContact O-N 3.14Å
225	I	86.3	Confident	83.9	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-61.5	-41.5	179.5	-64.7	169.7	0	0	0	110.8	K193 V195 V220 D222 K223 K227 L228	K193-I225 HydrophobicContact CB-CD1 3.62Å; V195-I225 HydrophobicContact CB-CG1 4.32Å; V195-I225 HydrophobicContact CG2-CD1 3.97Å; V195-I225 HydrophobicContact CG2-CG1 4.05Å; V195-I225 HydrophobicContact CG2-CG2 3.77Å; V220-I225 HydrophobicContact CG1-CG1 4Å; D222-I225 WeakPolarHBondContact O-CB 3.28Å; D222-I225 WeakPolarHBondContact O-CG1 3.35Å; D222-I225 PolarHBondContact O-N 2.94Å; D222-I225 VanDerWaalsContact O-N 3.12Å; K223-I225 VanDerWaalsContact C-N 3.25Å; K223-I225 PolarHBondContact O-N 2.91Å; I225-K227 PolarHBondContact O-N 3.04Å; I225-K227 VanDerWaalsContact O-N 3.16Å; I225-L228 WeakPolarHBondContact O-CB 3.29Å; I225-L228 PolarHBondContact O-N 3.37Å; I225-L228 VanDerWaalsContact O-N 3.08Å
226	S	82.4	Confident	84.5	Confident	79 Å²	79	28.3 Å²	28.3	55%	0.552	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-68.1	-13.3	-180	64.8	0	0	0	0	113.7	K223 L224	K223-S226 PolarHBondContact O-OG 2.82Å; L224-S226 VanDerWaalsContact C-N 3.32Å; L224-S226 PolarHBondContact O-N 3.2Å
227	K	83.2	Confident	84.8	Confident	79 Å²	79	27.6 Å²	27.6	34%	0.343	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-84.8	-12	174.7	-67.3	-168.5	167.4	-169.1	0	113.1	L224 I225 K229 I258	L224-K227 HydrophobicContact CD2-CD 4.03Å; L224-K227 WeakPolarHBondContact O-CB 3.42Å; L224-K227 PolarHBondContact O-N 2.93Å; L224-K227 VanDerWaalsContact O-N 3.14Å; I225-K227 PolarHBondContact O-N 3.04Å; I225-K227 VanDerWaalsContact O-N 3.16Å; K227-K229 PolarHBondContact O-N 3.42Å; K227-I258 HydrophobicContact CB-CB 4.16Å; K227-I258 HydrophobicContact CB-CD1 4.38Å; K227-I258 HydrophobicContact CB-CG2 4.25Å; K227-I258 HydrophobicContact CD-CB 4.17Å; K227-I258 VanDerWaalsContact CD-O 3.31Å; K227-I258 WeakPolarHBondContact CD-O 3.45Å; K227-I258 PolarHBondContact NZ-O 3.47Å
228	L	83	Confident	84.9	Confident	6 Å²	6	26.4 Å²	26.4	3%	0.031	13%	0.126	C	C	.	.			trans	-73.8	121.4	179.2	-69.5	171.9	0	0	0	110.3	V130 I133 V195 F197 V220 I225 I258	V130-L228 HydrophobicContact CG2-CD2 4.38Å; I133-L228 HydrophobicContact CD1-CB 4.19Å; V195-L228 HydrophobicContact CB-CD1 4.35Å; V195-L228 HydrophobicContact CG1-CD1 3.94Å; F197-L228 HydrophobicContact CD1-CD1 4.12Å; F197-L228 HydrophobicContact CD1-CD2 3.86Å; F197-L228 HydrophobicContact CD2-CD2 4.19Å; F197-L228 HydrophobicContact CE1-CD2 3.88Å; F197-L228 HydrophobicContact CE2-CD2 4.16Å; F197-L228 HydrophobicContact CG-CD1 4.5Å; F197-L228 HydrophobicContact CG-CD2 4.02Å; F197-L228 HydrophobicContact CZ-CD2 4Å; V220-L228 HydrophobicContact CB-CD1 4.22Å; V220-L228 HydrophobicContact CG1-CD1 4.36Å; V220-L228 HydrophobicContact CG2-CD1 4.42Å; V220-L228 HydrophobicContact CG2-CD2 4.41Å; I225-L228 WeakPolarHBondContact O-CB 3.29Å; I225-L228 PolarHBondContact O-N 3.37Å; I225-L228 VanDerWaalsContact O-N 3.08Å; L228-I258 HydrophobicContact CD2-CD1 3.65Å; L228-I258 HydrophobicContact CG-CD1 4.1Å
229	K	78.5	Confident	84.7	Confident	58 Å²	58	26.9 Å²	26.9	25%	0.252	13%	0.129	S	C	.	.			trans	-130.2	137.2	174.7	-66	175.2	179.2	174.5	0	108.9	V130 K227 R232 D260 P488	V130-K229 WeakPolarHBondContact CB-O 3.09Å; K227-K229 PolarHBondContact O-N 3.42Å; K229-R232 HydrophobicContact CB-CB 4.41Å; K229-R232 HydrophobicContact CB-CG 4.41Å; K229-D260 IonicContact NZ-OD2 2.86Å; K229-P488 HydrophobicContact CD-CG 4.24Å
230	F	79	Confident	84.6	Confident	9 Å²	9	26.5 Å²	26.5	4%	0.039	13%	0.126	C	C	.	.	S	Bend	trans	-68.2	146.3	175.2	-80.2	-74.5	0	0	0	111.7	V130 I133 R232 V426 C428 E432 Y487	V130-F230 HydrophobicContact CG1-CD1 4.28Å; I133-F230 HydrophobicContact CB-CE1 4.23Å; I133-F230 HydrophobicContact CB-CE2 4.05Å; I133-F230 HydrophobicContact CB-CZ 3.55Å; I133-F230 HydrophobicContact CD1-CD1 4.34Å; I133-F230 HydrophobicContact CD1-CD2 3.86Å; I133-F230 HydrophobicContact CD1-CE1 4.06Å; I133-F230 HydrophobicContact CD1-CE2 3.51Å; I133-F230 HydrophobicContact CD1-CG 4.3Å; I133-F230 HydrophobicContact CD1-CZ 3.66Å; I133-F230 HydrophobicContact CG1-CD1 4.39Å; I133-F230 HydrophobicContact CG1-CE1 3.72Å; I133-F230 HydrophobicContact CG1-CE2 3.86Å; I133-F230 HydrophobicContact CG1-CZ 3.44Å; I133-F230 VanDerWaalsContact CG1-CZ 3.44Å; F230-R232 PolarHBondContact O-N 3.36Å; F230-V426 HydrophobicContact CZ-CB 4.42Å; F230-V426 HydrophobicContact CZ-CG1 4.41Å; F230-C428 HydrophobicContact CD1-CB 3.73Å; F230-C428 HydrophobicContact CE1-CB 4.18Å; F230-C428 HydrophobicContact CG-CB 4.43Å; F230-E432 HydrophobicContact CB-CB 4.1Å; F230-Y487 AromaticContact CD2-CD1 3.65Å; F230-Y487 HydrophobicContact CD2-CD1 3.65Å; F230-Y487 AromaticContact CD2-CE1 3.16Å; F230-Y487 HydrophobicContact CD2-CE1 3.16Å; F230-Y487 AromaticContact CD2-CZ 3.99Å; F230-Y487 HydrophobicContact CE2-CD1 4.18Å; F230-Y487 AromaticContact CE2-CE1 3.22Å; F230-Y487 HydrophobicContact CE2-CE1 3.22Å; F230-Y487 AromaticContact CE2-CZ 3.68Å; F230-Y487 WeakPolarHBondContact CE2-OH 3.44Å; F230-Y487 HydrophobicContact CG-CE1 4.33Å; F230-Y487 HydrophobicContact CZ-CE1 4.4Å
231	G	73.4	Confident	84.3	Confident	2 Å²	2	28.3 Å²	28.3	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	67.6	-20	171.6	0	0	0	0	0	117.4	V129 V130 E432	V129-G231 VanDerWaalsContact CG1-CA 3.5Å; V129-G231 WeakPolarHBondContact CG1-O 3.47Å; V130-G231 PolarHBondContact O-N 3.44Å; V130-G231 VanDerWaalsContact O-N 3.11Å; G231-E432 VanDerWaalsContact CA-O 3.23Å; G231-E432 WeakPolarHBondContact CA-O 3.29Å
232	R	74.6	Confident	84	Confident	30 Å²	30	30.8 Å²	30.8	11%	0.113	15%	0.148	C	C	.	.			trans	-67.8	137.6	171.2	-71.6	-164.9	176.7	-176.6	-1.4	110.5	K229 F230 D260 E490	K229-R232 HydrophobicContact CB-CB 4.41Å; K229-R232 HydrophobicContact CB-CG 4.41Å; F230-R232 PolarHBondContact O-N 3.36Å; R232-D260 IonicContact NH1-OD2 2.81Å; R232-D260 PolarHBondContact NH1-OD2 3.47Å; R232-D260 VanDerWaalsContact NH1-OD2 3.15Å; R232-E490 IonicContact CZ-OE2 2.66Å; R232-E490 IonicContact NE-OE2 3.42Å; R232-E490 IonicContact NH2-OE1 3.63Å; R232-E490 PolarHBondContact NH2-OE1 2.98Å; R232-E490 IonicContact NH2-OE2 2.77Å; R232-E490 PolarHBondContact NH2-OE2 2.97Å
233	R	79.6	Confident	83.7	Confident	65 Å²	65	31.7 Å²	31.7	25%	0.245	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.3	170.8	-174.1	176.3	-112.1	154	5.8	108.6	E127 G128 V129 E208 S261	E127-R233 HydrophobicContact CG-CG 4.14Å; E127-R233 WeakPolarHBondContact OE1-CD 3.44Å; E127-R233 IonicContact OE1-CZ 2.61Å; E127-R233 IonicContact OE1-NE 2.64Å; E127-R233 PolarHBondContact OE1-NE 3.39Å; E127-R233 VanDerWaalsContact OE1-NE 3.12Å; G128-R233 WeakPolarHBondContact O-CA 3.3Å; V129-R233 HydrophobicContact CG2-CB 4.33Å; E208-R233 IonicContact OE1-CZ 4Å; E208-R233 IonicContact OE1-NH1 2.7Å; E208-R233 PolarHBondContact OE1-NH1 3.42Å; E208-R233 IonicContact OE1-NH2 3.6Å; E208-R233 PolarHBondContact OE1-NH2 2.72Å; R233-S261 WeakPolarHBondContact O-CB 3.36Å; R233-S261 PolarHBondContact O-N 3.21Å
234	C	84.5	Confident	83.4	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.4	178.3	61.2	0	0	0	0	111	G128 I258 E259	G128-C234 PolarHBondContact N-O 3.39Å; G128-C234 PolarHBondContact O-N 2.88Å; C234-I258 HydrophobicContact CB-CG2 4.07Å; C234-E259 CarbonylContact C-O 3.55Å; C234-E259 VanDerWaalsContact CA-O 3.23Å; C234-E259 WeakPolarHBondContact CA-O 3.5Å; C234-E259 WeakPolarHBondContact CB-O 3.48Å
235	F	87.6	Confident	82.6	Confident	25 Å²	25	33.4 Å²	33.4	11%	0.11	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.8	163.5	-65	-75.1	0	0	0	107.9	I104 C106 E127 I258 E259	I104-F235 HydrophobicContact CB-CB 4.38Å; I104-F235 HydrophobicContact CG2-CB 3.91Å; C106-F235 WeakPolarHBondContact SG-CE1 3.46Å; C106-F235 WeakPolarHBondContact SG-CZ 3.46Å; E127-F235 HydrophobicContact CB-CD1 3.81Å; E127-F235 HydrophobicContact CB-CE1 3.53Å; E127-F235 HydrophobicContact CG-CD1 3.96Å; E127-F235 HydrophobicContact CG-CE1 3.39Å; E127-F235 HydrophobicContact CG-CZ 3.91Å; F235-I258 WeakPolarHBondContact O-CA 3.07Å; F235-E259 PolarHBondContact N-O 3.37Å; F235-E259 PolarHBondContact O-N 3.43Å
236	I	90	Very high	81.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.7	172.7	66.7	165.5	0	0	0	109.3	V125 I126 F197 L199 F253 V255 G257 I258	V125-I236 CarbonylContact C-O 3.6Å; V125-I236 VanDerWaalsContact CA-O 3.27Å; V125-I236 WeakPolarHBondContact CA-O 3.18Å; I126-I236 HydrophobicContact CB-CD1 4.29Å; I126-I236 HydrophobicContact CB-CG1 3.8Å; I126-I236 HydrophobicContact CG1-CG1 4.37Å; I126-I236 PolarHBondContact N-O 3.22Å; I126-I236 WeakPolarHBondContact O-CG1 3.03Å; I126-I236 PolarHBondContact O-N 3.14Å; F197-I236 HydrophobicContact CZ-CD1 4.37Å; F197-I236 HydrophobicContact CZ-CG2 4.48Å; L199-I236 HydrophobicContact CD1-CD1 4.37Å; L199-I236 HydrophobicContact CD1-CG2 4.44Å; L199-I236 HydrophobicContact CD2-CD1 3.57Å; L199-I236 HydrophobicContact CD2-CG1 4Å; L199-I236 HydrophobicContact CG-CD1 4.39Å; I236-F253 HydrophobicContact CD1-CD1 3.64Å; I236-F253 HydrophobicContact CD1-CE1 3.59Å; I236-F253 HydrophobicContact CG1-CE1 3.96Å; I236-V255 HydrophobicContact CB-CG1 4.37Å; I236-V255 HydrophobicContact CD1-CG2 4.18Å; I236-G257 WeakPolarHBondContact CA-O 3.33Å; I236-I258 HydrophobicContact CG2-CG1 4.24Å
237	S	89.7	Confident	81.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138	167.3	65.1	0	0	0	0	108.9	F101 I104 T124 V255 Y256 G257	F101-S237 WeakPolarHBondContact CB-OG 3.37Å; F101-S237 WeakPolarHBondContact CD2-OG 3.42Å; I104-S237 WeakPolarHBondContact CD1-OG 3.35Å; T124-S237 WeakPolarHBondContact O-CA 3.39Å; S237-V255 WeakPolarHBondContact O-CA 3.17Å; S237-Y256 PolarHBondContact O-N 3.09Å; S237-G257 PolarHBondContact N-O 3.14Å; S237-G257 PolarHBondContact O-N 3.31Å; S237-G257 WeakPolarHBondContact OG-CA 3.31Å; S237-G257 PolarHBondContact OG-N 3.19Å
238	G	89.5	Confident	81.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	-179	-175.3	0	0	0	0	0	114	T124 F253 K254	T124-G238 PolarHBondContact N-O 2.98Å; T124-G238 PolarHBondContact O-N 3.15Å; G238-F253 WeakPolarHBondContact O-CZ 3.16Å; G238-K254 CarbonylContact C-O 3.6Å; G238-K254 WeakPolarHBondContact CA-O 3.5Å
239	V	88.5	Confident	80.7	Confident	9 Å²	9	50 Å²	50	6%	0.055	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.1	-176.5	178.9	0	0	0	0	109.2	F65 D121 K254 Y256	F65-V239 HydrophobicContact CB-CG2 3.48Å; F65-V239 VanDerWaalsContact CB-CG2 3.48Å; F65-V239 HydrophobicContact CD1-CG2 3.79Å; F65-V239 HydrophobicContact CD2-CG2 3.94Å; F65-V239 HydrophobicContact CG-CG2 3.44Å; F65-V239 VanDerWaalsContact CG-CG2 3.44Å; D121-V239 VanDerWaalsContact CA-CG1 3.45Å; V239-K254 PolarHBondContact N-O 3.38Å; V239-K254 PolarHBondContact O-N 3.3Å; V239-Y256 HydrophobicContact CB-CE2 4.03Å; V239-Y256 HydrophobicContact CG2-CD2 4.08Å; V239-Y256 HydrophobicContact CG2-CE2 3.64Å
240	P	88.2	Confident	80.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	138.9	174.9	33.2	-32.5	0	0	0	110.5	F118 T119 D121 C122 W251 Q252 F253	F118-P240 HydrophobicContact CB-CB 3.81Å; F118-P240 HydrophobicContact CB-CG 3.98Å; F118-P240 HydrophobicContact CD1-CB 3.54Å; F118-P240 HydrophobicContact CD1-CG 3.73Å; F118-P240 HydrophobicContact CD2-CB 4.49Å; F118-P240 HydrophobicContact CE1-CB 4.21Å; F118-P240 HydrophobicContact CG-CB 3.71Å; F118-P240 HydrophobicContact CG-CG 4.14Å; T119-P240 VanDerWaalsContact O-CG 3.28Å; T119-P240 WeakPolarHBondContact O-CG 3.4Å; D121-P240 PolarHBondContact N-O 2.94Å; C122-P240 WeakPolarHBondContact O-CD 3.42Å; P240-W251 HydrophobicContact CB-CE3 3.95Å; P240-W251 HydrophobicContact CB-CZ3 4.04Å; P240-Q252 CarbonylContact C-O 3.6Å; P240-Q252 VanDerWaalsContact CA-O 3.31Å; P240-Q252 WeakPolarHBondContact CA-O 3.44Å; P240-F253 HydrophobicContact CB-CD2 4.01Å; P240-F253 HydrophobicContact CB-CE2 4.46Å
241	Y	84.7	Confident	80.7	Confident	39 Å²	39	54.3 Å²	54.3	15%	0.153	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.5	175.5	66.3	-82.8	0	0	0	110.8	K243 Q252 K254	Y241-K243 HydrophobicContact CE2-CB 4.27Å; Y241-Q252 HydrophobicContact CD1-CB 4.33Å; Y241-Q252 WeakPolarHBondContact CD1-O 3.32Å; Y241-Q252 HydrophobicContact CD2-CB 4.38Å; Y241-Q252 HydrophobicContact CE1-CB 3.75Å; Y241-Q252 HydrophobicContact CE2-CB 3.83Å; Y241-Q252 VanDerWaalsContact CZ-CB 3.49Å; Y241-Q252 PolarHBondContact N-O 2.81Å; Y241-Q252 PolarHBondContact O-N 3.47Å; Y241-Q252 PolarHBondContact OH-OE1 3.34Å; Y241-K254 HydrophobicContact CD1-CB 4.08Å; Y241-K254 HydrophobicContact CE1-CB 3.79Å
242	L	82.9	Confident	81.3	Confident	77 Å²	77	54.8 Å²	54.8	40%	0.403	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	118.6	177.3	-73.4	167.1	0	0	0	109.4	Y249 W251	L242-Y249 HydrophobicContact CB-CD1 4.5Å; L242-W251 HydrophobicContact CD1-CH2 4.08Å; L242-W251 HydrophobicContact CD1-CZ2 4.09Å; L242-W251 HydrophobicContact CD2-CD2 3.48Å; L242-W251 VanDerWaalsContact CD2-CD2 3.48Å; L242-W251 VanDerWaalsContact CD2-CE2 3.45Å; L242-W251 HydrophobicContact CD2-CE3 3.87Å; L242-W251 HydrophobicContact CD2-CG 3.9Å; L242-W251 HydrophobicContact CD2-CH2 4.21Å; L242-W251 HydrophobicContact CD2-CZ2 3.84Å; L242-W251 HydrophobicContact CD2-CZ3 4.22Å; L242-W251 HydrophobicContact CG-CD2 4.05Å; L242-W251 HydrophobicContact CG-CE3 3.93Å; L242-W251 HydrophobicContact CG-CH2 3.88Å; L242-W251 HydrophobicContact CG-CZ2 3.98Å; L242-W251 HydrophobicContact CG-CZ3 3.85Å
243	K	79.9	Confident	82	Confident	59 Å²	59	53.4 Å²	53.4	26%	0.257	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.1	169.8	-168.5	168.4	-176.5	165	0	109.3	Y241 A245 Y249 Q250 Q252	Y241-K243 HydrophobicContact CE2-CB 4.27Å; K243-A245 PolarHBondContact O-N 2.82Å; K243-Y249 WeakPolarHBondContact O-CA 3.26Å; K243-Q250 PolarHBondContact N-O 3.22Å; K243-Q250 PolarHBondContact O-N 2.67Å; K243-Q252 HydrophobicContact CB-CG 4.35Å; K243-Q252 VanDerWaalsContact CD-OE1 3.26Å
244	K	78.3	Confident	82.6	Confident	143 Å²	143	53 Å²	53	62%	0.622	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.4	174.3	-171.9	179.1	179.3	-179	0	108.8	G246 Y249	K244-G246 VanDerWaalsContact CE-O 3.3Å; K244-G246 WeakPolarHBondContact CE-O 3.4Å; K244-Y249 HydrophobicContact CB-CD1 4.25Å; K244-Y249 HydrophobicContact CB-CE1 4.06Å; K244-Y249 HydrophobicContact CG-CE1 4.27Å
245	A	70.5	Confident	83	Confident	15 Å²	15	52.8 Å²	52.8	12%	0.124	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	88.2	177.7	0	0	0	0	0	108.6	K243 R247 S248 Q250	K243-A245 PolarHBondContact O-N 2.82Å; A245-R247 PolarHBondContact O-N 3.48Å; A245-S248 PolarHBondContact N-O 2.73Å; A245-S248 PolarHBondContact O-N 3.43Å; A245-S248 VanDerWaalsContact O-N 3.16Å; A245-S248 PolarHBondContact O-OG 3.43Å; A245-Q250 HydrophobicContact CB-CB 4.37Å
246	G	69.9	Low	83.1	Confident	44 Å²	44	52.5 Å²	52.5	45%	0.454	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-109.2	-173.6	0	0	0	0	0	112.5	K244	K244-G246 VanDerWaalsContact CE-O 3.3Å; K244-G246 WeakPolarHBondContact CE-O 3.4Å
247	R	74.4	Confident	83.2	Confident	253 Å²	253	52.5 Å²	52.5	96%	0.955	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-8.9	-180	-67.6	-174.8	-179.6	172.6	0.2	114.1	A245	A245-R247 PolarHBondContact O-N 3.48Å
248	S	75.8	Confident	83.1	Confident	55 Å²	55	52.6 Å²	52.6	39%	0.385	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	171.1	178.9	59.6	0	0	0	0	111.2	A245	A245-S248 PolarHBondContact N-O 2.73Å; A245-S248 PolarHBondContact O-N 3.43Å; A245-S248 VanDerWaalsContact O-N 3.16Å; A245-S248 PolarHBondContact O-OG 3.43Å
249	Y	74.9	Confident	83	Confident	162 Å²	162	54.8 Å²	54.8	64%	0.635	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	137	169.8	-66.6	-87.5	0	0	0	109	L242 K243 K244	L242-Y249 HydrophobicContact CB-CD1 4.5Å; K243-Y249 WeakPolarHBondContact O-CA 3.26Å; K244-Y249 HydrophobicContact CB-CD1 4.25Å; K244-Y249 HydrophobicContact CB-CE1 4.06Å; K244-Y249 HydrophobicContact CG-CE1 4.27Å
250	Q	77.9	Confident	82.4	Confident	70 Å²	70	56.7 Å²	56.7	33%	0.327	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.5	176.5	-172.1	-180	3.6	0	0	109.4	K243 A245	K243-Q250 PolarHBondContact N-O 3.22Å; K243-Q250 PolarHBondContact O-N 2.67Å; A245-Q250 HydrophobicContact CB-CB 4.37Å
251	W	80.4	Confident	81.4	Confident	88 Å²	88	59.1 Å²	59.1	33%	0.333	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.1	168.3	-73.4	105.2	0	0	0	109.9	F118 P240 L242	F118-W251 HydrophobicContact CB-CD2 3.71Å; F118-W251 HydrophobicContact CB-CE3 3.58Å; F118-W251 HydrophobicContact CB-CG 4.47Å; F118-W251 HydrophobicContact CB-CH2 3.74Å; F118-W251 HydrophobicContact CB-CZ2 3.88Å; F118-W251 HydrophobicContact CB-CZ3 3.59Å; F118-W251 HydrophobicContact CD2-CB 3.92Å; F118-W251 AromaticContact CD2-CD2 3.9Å; F118-W251 HydrophobicContact CD2-CD2 3.9Å; F118-W251 HydrophobicContact CD2-CE3 4.23Å; F118-W251 AromaticContact CD2-CG 3.77Å; F118-W251 HydrophobicContact CD2-CG 3.77Å; F118-W251 HydrophobicContact CE2-CB 4.29Å; F118-W251 HydrophobicContact CG-CD2 4.21Å; F118-W251 HydrophobicContact CG-CE3 4.18Å; F118-W251 WeakPolarHBondContact O-CH2 3.45Å; F118-W251 VanDerWaalsContact O-CZ2 3.3Å; F118-W251 WeakPolarHBondContact O-CZ2 3.28Å; P240-W251 HydrophobicContact CB-CE3 3.95Å; P240-W251 HydrophobicContact CB-CZ3 4.04Å; L242-W251 HydrophobicContact CD1-CH2 4.08Å; L242-W251 HydrophobicContact CD1-CZ2 4.09Å; L242-W251 HydrophobicContact CD2-CD2 3.48Å; L242-W251 VanDerWaalsContact CD2-CD2 3.48Å; L242-W251 VanDerWaalsContact CD2-CE2 3.45Å; L242-W251 HydrophobicContact CD2-CE3 3.87Å; L242-W251 HydrophobicContact CD2-CG 3.9Å; L242-W251 HydrophobicContact CD2-CH2 4.21Å; L242-W251 HydrophobicContact CD2-CZ2 3.84Å; L242-W251 HydrophobicContact CD2-CZ3 4.22Å; L242-W251 HydrophobicContact CG-CD2 4.05Å; L242-W251 HydrophobicContact CG-CE3 3.93Å; L242-W251 HydrophobicContact CG-CH2 3.88Å; L242-W251 HydrophobicContact CG-CZ2 3.98Å; L242-W251 HydrophobicContact CG-CZ3 3.85Å
252	Q	85.8	Confident	79.9	Confident	11 Å²	11	62.8 Å²	62.8	5%	0.051	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.9	170.1	-66.8	-172.9	-8.2	0	0	108.7	K217 P240 Y241 K243	K217-Q252 WeakPolarHBondContact O-CA 3.35Å; P240-Q252 CarbonylContact C-O 3.6Å; P240-Q252 VanDerWaalsContact CA-O 3.31Å; P240-Q252 WeakPolarHBondContact CA-O 3.44Å; Y241-Q252 HydrophobicContact CD1-CB 4.33Å; Y241-Q252 WeakPolarHBondContact CD1-O 3.32Å; Y241-Q252 HydrophobicContact CD2-CB 4.38Å; Y241-Q252 HydrophobicContact CE1-CB 3.75Å; Y241-Q252 HydrophobicContact CE2-CB 3.83Å; Y241-Q252 VanDerWaalsContact CZ-CB 3.49Å; Y241-Q252 PolarHBondContact N-O 2.81Å; Y241-Q252 PolarHBondContact O-N 3.47Å; Y241-Q252 PolarHBondContact OH-OE1 3.34Å; K243-Q252 HydrophobicContact CB-CG 4.35Å; K243-Q252 VanDerWaalsContact CD-OE1 3.26Å
253	F	89.1	Confident	78.5	Confident	1 Å²	1	64.2 Å²	64.2	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	110.7	-173.3	-165.2	-99	0	0	0	110.4	F118 T124 I126 I216 K217 C218 T219 I236 G238 P240 V255	F118-F253 HydrophobicContact CE1-CD2 4.29Å; F118-F253 HydrophobicContact CE1-CE2 4.43Å; T124-F253 HydrophobicContact CG2-CE2 4.41Å; T124-F253 WeakPolarHBondContact O-CZ 3.49Å; I126-F253 HydrophobicContact CD1-CD2 4.01Å; I126-F253 HydrophobicContact CD1-CE1 4.28Å; I126-F253 HydrophobicContact CD1-CE2 3.77Å; I126-F253 HydrophobicContact CD1-CG 4.37Å; I126-F253 HydrophobicContact CD1-CZ 3.89Å; I126-F253 HydrophobicContact CG1-CE1 4.45Å; I126-F253 HydrophobicContact CG1-CE2 4.24Å; I126-F253 HydrophobicContact CG1-CZ 3.97Å; I216-F253 HydrophobicContact CG2-CB 3.93Å; K217-F253 PolarHBondContact O-N 2.78Å; C218-F253 CarbonylContact C-O 3.56Å; C218-F253 VanDerWaalsContact CA-O 3.22Å; C218-F253 WeakPolarHBondContact CA-O 3.15Å; C218-F253 HydrophobicContact CB-CB 4.38Å; T219-F253 PolarHBondContact N-O 2.98Å; I236-F253 HydrophobicContact CD1-CD1 3.64Å; I236-F253 HydrophobicContact CD1-CE1 3.59Å; I236-F253 HydrophobicContact CG1-CE1 3.96Å; G238-F253 WeakPolarHBondContact O-CZ 3.16Å; P240-F253 HydrophobicContact CB-CD2 4.01Å; P240-F253 HydrophobicContact CB-CE2 4.46Å; F253-V255 HydrophobicContact CD1-CG2 3.86Å; F253-V255 HydrophobicContact CE1-CG2 4.27Å
254	K	91.6	Very high	76.9	Confident	56 Å²	56	65.8 Å²	65.8	24%	0.243	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115.6	176.7	176.7	164.8	179.3	-149.3	0	108.6	E69 Y221 G238 V239 Y241 Y256	E69-K254 IonicContact OE1-NZ 2.83Å; Y221-K254 HydrophobicContact CE2-CD 4.01Å; Y221-K254 HydrophobicContact CE2-CG 3.91Å; G238-K254 CarbonylContact C-O 3.6Å; G238-K254 WeakPolarHBondContact CA-O 3.5Å; V239-K254 PolarHBondContact N-O 3.38Å; V239-K254 PolarHBondContact O-N 3.3Å; Y241-K254 HydrophobicContact CD1-CB 4.08Å; Y241-K254 HydrophobicContact CE1-CB 3.79Å; K254-Y256 HydrophobicContact CB-CE2 4.37Å; K254-Y256 HydrophobicContact CD-CE1 4.31Å; K254-Y256 HydrophobicContact CD-CE2 4.22Å; K254-Y256 WeakPolarHBondContact CD-OH 3.38Å; K254-Y256 VanDerWaalsContact CE-CZ 3.47Å; K254-Y256 WeakPolarHBondContact CE-OH 3.44Å; K254-Y256 HydrophobicContact CG-CE1 4.36Å; K254-Y256 HydrophobicContact CG-CE2 3.84Å; K254-Y256 PolarHBondContact NZ-OH 2.87Å
255	V	92.7	Very high	75.4	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.9	-175.5	-180	0	0	0	0	110.3	F197 C218 T219 V220 I236 S237 F253 G257 I258	F197-V255 HydrophobicContact CE1-CG2 3.9Å; F197-V255 HydrophobicContact CZ-CG2 3.97Å; C218-V255 HydrophobicContact CB-CG2 4.02Å; T219-V255 PolarHBondContact O-N 2.89Å; V220-V255 HydrophobicContact CG2-CB 3.52Å; V220-V255 HydrophobicContact CG2-CG1 3.84Å; V220-V255 HydrophobicContact CG2-CG2 3.81Å; I236-V255 HydrophobicContact CB-CG1 4.37Å; I236-V255 HydrophobicContact CD1-CG2 4.18Å; S237-V255 WeakPolarHBondContact O-CA 3.17Å; F253-V255 HydrophobicContact CD1-CG2 3.86Å; F253-V255 HydrophobicContact CE1-CG2 4.27Å; V255-G257 VanDerWaalsContact CG1-O 3.29Å; V255-G257 WeakPolarHBondContact CG1-O 3.33Å; V255-I258 HydrophobicContact CG1-CD1 4.18Å; V255-I258 HydrophobicContact CG1-CG1 3.63Å
256	Y	91.1	Very high	74.4	Confident	18 Å²	18	70.7 Å²	70.7	7%	0.071	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-9	175.6	-65.9	-76	0	0	0	112.7	F65 E69 V99 I100 F101 S237 V239 K254	F65-Y256 AromaticContact CD1-CE2 3.75Å; F65-Y256 HydrophobicContact CD1-CE2 3.75Å; F65-Y256 AromaticContact CD1-CZ 3.78Å; F65-Y256 HydrophobicContact CE1-CD1 4.04Å; F65-Y256 AromaticContact CE1-CD2 3.86Å; F65-Y256 HydrophobicContact CE1-CD2 3.86Å; F65-Y256 AromaticContact CE1-CE1 3.47Å; F65-Y256 HydrophobicContact CE1-CE1 3.47Å; F65-Y256 VanDerWaalsContact CE1-CE1 3.47Å; F65-Y256 AromaticContact CE1-CE2 3.27Å; F65-Y256 HydrophobicContact CE1-CE2 3.27Å; F65-Y256 HydrophobicContact CE1-CG 4.22Å; F65-Y256 AromaticContact CE1-CZ 3.03Å; F65-Y256 WeakPolarHBondContact CE1-OH 3.03Å; F65-Y256 HydrophobicContact CE2-CD2 4.14Å; F65-Y256 HydrophobicContact CE2-CE2 4.3Å; F65-Y256 HydrophobicContact CE2-CG 4.38Å; F65-Y256 HydrophobicContact CG-CE2 4.43Å; F65-Y256 AromaticContact CZ-CD1 3.73Å; F65-Y256 HydrophobicContact CZ-CD1 3.73Å; F65-Y256 AromaticContact CZ-CD2 3.64Å; F65-Y256 HydrophobicContact CZ-CD2 3.64Å; F65-Y256 AromaticContact CZ-CE1 3.65Å; F65-Y256 HydrophobicContact CZ-CE1 3.65Å; F65-Y256 AromaticContact CZ-CE2 3.58Å; F65-Y256 HydrophobicContact CZ-CE2 3.58Å; F65-Y256 AromaticContact CZ-CG 3.72Å; F65-Y256 HydrophobicContact CZ-CG 3.72Å; F65-Y256 AromaticContact CZ-CZ 3.57Å; E69-Y256 PolarHBondContact OE1-OH 2.75Å; V99-Y256 WeakPolarHBondContact O-CD1 3.4Å; I100-Y256 CarbonylContact C-O 3.56Å; I100-Y256 VanDerWaalsContact CA-O 3.28Å; I100-Y256 WeakPolarHBondContact CA-O 3.38Å; F101-Y256 PolarHBondContact N-O 3.34Å; S237-Y256 PolarHBondContact O-N 3.09Å; V239-Y256 HydrophobicContact CB-CE2 4.03Å; V239-Y256 HydrophobicContact CG2-CD2 4.08Å; V239-Y256 HydrophobicContact CG2-CE2 3.64Å; K254-Y256 HydrophobicContact CB-CE2 4.37Å; K254-Y256 HydrophobicContact CD-CE1 4.31Å; K254-Y256 HydrophobicContact CD-CE2 4.22Å; K254-Y256 WeakPolarHBondContact CD-OH 3.38Å; K254-Y256 VanDerWaalsContact CE-CZ 3.47Å; K254-Y256 WeakPolarHBondContact CE-OH 3.44Å; K254-Y256 HydrophobicContact CG-CE1 4.36Å; K254-Y256 HydrophobicContact CG-CE2 3.84Å; K254-Y256 PolarHBondContact NZ-OH 2.87Å
257	G	90.5	Very high	73.6	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	145.2	173.8	0	0	0	0	0	111.5	I104 I236 S237 V255	I104-G257 VanDerWaalsContact CD1-C 3.49Å; I236-G257 WeakPolarHBondContact CA-O 3.33Å; S237-G257 PolarHBondContact N-O 3.14Å; S237-G257 PolarHBondContact O-N 3.31Å; S237-G257 WeakPolarHBondContact OG-CA 3.31Å; S237-G257 PolarHBondContact OG-N 3.19Å; V255-G257 VanDerWaalsContact CG1-O 3.29Å; V255-G257 WeakPolarHBondContact CG1-O 3.33Å
258	I	89.3	Confident	72.8	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	127.3	175.2	-55.7	177.5	0	0	0	107	V220 K227 L228 C234 F235 I236 V255	V220-I258 HydrophobicContact CG1-CD1 4.44Å; V220-I258 HydrophobicContact CG2-CD1 3.86Å; K227-I258 HydrophobicContact CB-CB 4.16Å; K227-I258 HydrophobicContact CB-CD1 4.38Å; K227-I258 HydrophobicContact CB-CG2 4.25Å; K227-I258 HydrophobicContact CD-CB 4.17Å; K227-I258 VanDerWaalsContact CD-O 3.31Å; K227-I258 WeakPolarHBondContact CD-O 3.45Å; K227-I258 PolarHBondContact NZ-O 3.47Å; L228-I258 HydrophobicContact CD2-CD1 3.65Å; L228-I258 HydrophobicContact CG-CD1 4.1Å; C234-I258 HydrophobicContact CB-CG2 4.07Å; F235-I258 WeakPolarHBondContact O-CA 3.07Å; I236-I258 HydrophobicContact CG2-CG1 4.24Å; V255-I258 HydrophobicContact CG1-CD1 4.18Å; V255-I258 HydrophobicContact CG1-CG1 3.63Å
259	E	85.6	Confident	72	Confident	46 Å²	46	63.9 Å²	63.9	22%	0.215	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.4	173	-65.9	-165.8	159.9	0	0	110.4	T102 D103 I104 C234 F235	T102-E259 VanDerWaalsContact C-OE1 3.31Å; T102-E259 VanDerWaalsContact CA-OE1 3.27Å; T102-E259 WeakPolarHBondContact CA-OE1 3.28Å; D103-E259 WeakPolarHBondContact CA-OE2 3.06Å; D103-E259 VanDerWaalsContact N-CD 3.35Å; D103-E259 PolarHBondContact N-OE1 3.47Å; D103-E259 PolarHBondContact N-OE2 3.22Å; I104-E259 HydrophobicContact CB-CG 4.36Å; I104-E259 HydrophobicContact CD1-CB 4.41Å; I104-E259 HydrophobicContact CD1-CG 3.89Å; I104-E259 HydrophobicContact CG1-CG 4.04Å; I104-E259 PolarHBondContact N-OE2 3.29Å; C234-E259 CarbonylContact C-O 3.55Å; C234-E259 VanDerWaalsContact CA-O 3.23Å; C234-E259 WeakPolarHBondContact CA-O 3.5Å; C234-E259 WeakPolarHBondContact CB-O 3.48Å; F235-E259 PolarHBondContact N-O 3.37Å; F235-E259 PolarHBondContact O-N 3.43Å
260	D	76.5	Confident	71.3	Confident	49 Å²	49	59.5 Å²	59.5	26%	0.262	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.2	175.1	-75.3	-7.3	0	0	0	108.4	K229 R232 F262	K229-D260 IonicContact NZ-OD2 2.86Å; R232-D260 IonicContact NH1-OD2 2.81Å; R232-D260 PolarHBondContact NH1-OD2 3.47Å; R232-D260 VanDerWaalsContact NH1-OD2 3.15Å; D260-F262 VanDerWaalsContact C-N 3.32Å; D260-F262 HydrophobicContact CB-CD2 3.53Å; D260-F262 HydrophobicContact CB-CE2 3.62Å; D260-F262 PolarHBondContact O-N 3.18Å
261	S	66.6	Low	70.6	Confident	51 Å²	51	60.4 Å²	60.4	36%	0.357	32%	0.322	S	S	.	.			trans	-72.1	89	175.4	-175.6	0	0	0	0	109.3	R233	R233-S261 WeakPolarHBondContact O-CB 3.36Å; R233-S261 PolarHBondContact O-N 3.21Å
262	F	55.3	Low	69.9	Low	117 Å²	117	58.7 Å²	58.7	51%	0.513	32%	0.321	S	S	.	.			trans	-119.6	115.7	169.5	-76.7	-80.4	0	0	0	109.8	D260	D260-F262 VanDerWaalsContact C-N 3.32Å; D260-F262 HydrophobicContact CB-CD2 3.53Å; D260-F262 HydrophobicContact CB-CE2 3.62Å; D260-F262 PolarHBondContact O-N 3.18Å
263	I	52.1	Low	69.2	Low	107 Å²	107	58.9 Å²	58.9	55%	0.549	32%	0.322	S	S	.	.			trans	84.3	103.8	159	-51	158.7	0	0	0	115.3	S265	I263-S265 PolarHBondContact O-N 3.01Å; I263-S265 VanDerWaalsContact O-N 3.15Å
264	S	46.3	Very low	68.6	Low	91 Å²	91	62.4 Å²	62.4	64%	0.636	34%	0.344	S	S	*	.			trans	-63.6	106.1	146.8	174	0	0	0	0	107.2	M266	S264-M266 PolarHBondContact O-N 3.05Å
265	S	47	Very low	68	Low	101 Å²	101	63.8 Å²	63.8	71%	0.706	36%	0.357	S	S	*	.	S	Bend	trans	-69.7	-10.3	-177.3	54.2	0	0	0	0	113.2	I263	I263-S265 PolarHBondContact O-N 3.01Å; I263-S265 VanDerWaalsContact O-N 3.15Å
266	M	49.2	Very low	67.4	Low	160 Å²	160	65.5 Å²	65.5	79%	0.788	37%	0.366	S	S	*	.			trans	-132.4	83.1	-176.2	-72.2	-75	-113.5	0	0	110.2	S264 P268	S264-M266 PolarHBondContact O-N 3.05Å; M266-P268 WeakPolarHBondContact O-CD 3.24Å
267	D	54.5	Low	66.9	Low	34 Å²	34	66.5 Å²	66.5	18%	0.182	37%	0.374	C	S	.	.			trans	-99.8	106.5	166.3	-172.3	4.1	0	0	0	109.8	W269 K270	D267-W269 PolarHBondContact O-N 3.4Å; D267-W269 WeakPolarHBondContact OD1-CB 3.5Å; D267-W269 PolarHBondContact OD1-N 2.91Å; D267-K270 HydrophobicContact CB-CG 4.29Å; D267-K270 WeakPolarHBondContact O-CB 3.3Å; D267-K270 PolarHBondContact O-N 3.3Å
268	P	55.8	Low	66.6	Low	95 Å²	95	73.1 Å²	73.1	62%	0.617	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.7	176.5	23.5	-33.1	0	0	0	112.8	M266 K270 C271	M266-P268 WeakPolarHBondContact O-CD 3.24Å; P268-K270 VanDerWaalsContact C-N 3.28Å; P268-K270 PolarHBondContact O-N 3.11Å; P268-C271 PolarHBondContact O-N 2.77Å
269	W	58.7	Low	66.3	Low	80 Å²	80	77.2 Å²	77.2	30%	0.303	43%	0.434	S	S	.	.	H	α-helix	trans	-72.5	-16.7	177.5	-66.1	96.5	0	0	0	114.2	D267 C271 V272 L273 K598 S602	D267-W269 PolarHBondContact O-N 3.4Å; D267-W269 WeakPolarHBondContact OD1-CB 3.5Å; D267-W269 PolarHBondContact OD1-N 2.91Å; W269-C271 VanDerWaalsContact C-N 3.25Å; W269-C271 PolarHBondContact O-N 3.3Å; W269-V272 HydrophobicContact CD2-CG2 4.43Å; W269-V272 HydrophobicContact CE3-CB 3.82Å; W269-V272 HydrophobicContact CE3-CG1 3.77Å; W269-V272 HydrophobicContact CE3-CG2 3.91Å; W269-V272 HydrophobicContact CZ3-CB 4.41Å; W269-V272 HydrophobicContact CZ3-CG1 3.91Å; W269-V272 HydrophobicContact CZ3-CG2 4.38Å; W269-V272 WeakPolarHBondContact O-CA 3.48Å; W269-V272 WeakPolarHBondContact O-CB 3.46Å; W269-V272 PolarHBondContact O-N 2.99Å; W269-L273 WeakPolarHBondContact O-CG 3.41Å; W269-L273 PolarHBondContact O-N 2.94Å; W269-K598 HydrophobicContact CD2-CB 4.29Å; W269-K598 HydrophobicContact CE3-CB 4.39Å; W269-K598 HydrophobicContact CH2-CB 4.17Å; W269-K598 HydrophobicContact CH2-CD 4.02Å; W269-K598 HydrophobicContact CZ2-CB 4.05Å; W269-K598 HydrophobicContact CZ2-CD 3.4Å; W269-K598 HydrophobicContact CZ2-CG 4.37Å; W269-K598 HydrophobicContact CZ3-CB 4.32Å; W269-S602 WeakPolarHBondContact CB-OG 3.33Å
270	K	62	Low	66.3	Low	70 Å²	70	76.1 Å²	76.1	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-58.9	-39.9	169.8	-73.3	179.2	179	177.5	0	111.5	D267 P268 V272	D267-K270 HydrophobicContact CB-CG 4.29Å; D267-K270 WeakPolarHBondContact O-CB 3.3Å; D267-K270 PolarHBondContact O-N 3.3Å; P268-K270 VanDerWaalsContact C-N 3.28Å; P268-K270 PolarHBondContact O-N 3.11Å; K270-V272 VanDerWaalsContact C-N 3.31Å
271	C	61.5	Low	66.8	Low	89 Å²	89	76.6 Å²	76.6	60%	0.601	44%	0.435	S	S	*	.	H	α-helix	trans	-70.5	-27.8	173.5	-59.1	0	0	0	0	112.5	P268 W269 T274 T275	P268-C271 PolarHBondContact O-N 2.77Å; W269-C271 VanDerWaalsContact C-N 3.25Å; W269-C271 PolarHBondContact O-N 3.3Å; C271-T274 PolarHBondContact O-OG1 2.64Å; C271-T275 PolarHBondContact O-N 2.96Å; C271-T275 PolarHBondContact O-OG1 3.08Å
272	V	65.9	Low	67.7	Low	53 Å²	53	80.3 Å²	80.3	32%	0.321	45%	0.451	S	S	.	.	H	α-helix	trans	-73.2	-38.2	177.6	179.8	0	0	0	0	110.8	W269 K270 T274 T275 I276	W269-V272 HydrophobicContact CD2-CG2 4.43Å; W269-V272 HydrophobicContact CE3-CB 3.82Å; W269-V272 HydrophobicContact CE3-CG1 3.77Å; W269-V272 HydrophobicContact CE3-CG2 3.91Å; W269-V272 HydrophobicContact CZ3-CB 4.41Å; W269-V272 HydrophobicContact CZ3-CG1 3.91Å; W269-V272 HydrophobicContact CZ3-CG2 4.38Å; W269-V272 WeakPolarHBondContact O-CA 3.48Å; W269-V272 WeakPolarHBondContact O-CB 3.46Å; W269-V272 PolarHBondContact O-N 2.99Å; K270-V272 VanDerWaalsContact C-N 3.31Å; V272-T274 PolarHBondContact O-N 2.89Å; V272-T275 WeakPolarHBondContact O-CB 3.23Å; V272-T275 PolarHBondContact O-N 2.92Å; V272-I276 HydrophobicContact CG1-CD1 3.83Å; V272-I276 HydrophobicContact CG1-CG1 4.28Å; V272-I276 VanDerWaalsContact O-CG1 3.32Å; V272-I276 WeakPolarHBondContact O-CG1 3.47Å; V272-I276 PolarHBondContact O-N 3.44Å
273	L	72.1	Confident	69.3	Low	14 Å²	14	77.7 Å²	77.7	7%	0.073	44%	0.438	C	S	.	.	H	α-helix	trans	-59.9	-44.9	176.4	-72.3	169	0	0	0	112.5	W269 T275 I276 V277 I599 S602 L603 A606	W269-L273 WeakPolarHBondContact O-CG 3.41Å; W269-L273 PolarHBondContact O-N 2.94Å; L273-T275 VanDerWaalsContact C-N 3.29Å; L273-T275 PolarHBondContact O-N 2.99Å; L273-I276 PolarHBondContact O-N 3.4Å; L273-V277 WeakPolarHBondContact O-CG2 3.35Å; L273-V277 PolarHBondContact O-N 2.81Å; L273-I599 HydrophobicContact CD2-CG2 3.98Å; L273-S602 VanDerWaalsContact CD1-C 3.45Å; L273-S602 WeakPolarHBondContact CD1-O 3.46Å; L273-L603 HydrophobicContact CD2-CB 3.97Å; L273-L603 HydrophobicContact CD2-CD1 4.43Å; L273-A606 HydrophobicContact CD1-CB 3.9Å
274	T	77.2	Confident	71	Confident	76 Å²	76	72.6 Å²	72.6	47%	0.466	41%	0.412	S	S	.	.	H	α-helix	trans	-59.1	-45.1	176.2	47.4	0	0	0	0	110.4	C271 V272 I276 V277 E278	C271-T274 PolarHBondContact O-OG1 2.64Å; V272-T274 PolarHBondContact O-N 2.89Å; T274-I276 VanDerWaalsContact C-N 3.35Å; T274-I276 PolarHBondContact O-N 3.49Å; T274-V277 PolarHBondContact O-N 2.81Å; T274-E278 WeakPolarHBondContact O-CB 3.23Å; T274-E278 VanDerWaalsContact O-CG 3.24Å; T274-E278 WeakPolarHBondContact O-CG 3.43Å; T274-E278 PolarHBondContact O-N 2.77Å
275	T	78.1	Confident	72.8	Confident	84 Å²	84	73.9 Å²	73.9	52%	0.515	40%	0.403	S	S	.	.	H	α-helix	trans	-61.9	-39	175.8	-53.8	0	0	0	0	112.7	C271 V272 L273 E278 S279	C271-T275 PolarHBondContact O-N 2.96Å; C271-T275 PolarHBondContact O-OG1 3.08Å; V272-T275 WeakPolarHBondContact O-CB 3.23Å; V272-T275 PolarHBondContact O-N 2.92Å; L273-T275 VanDerWaalsContact C-N 3.29Å; L273-T275 PolarHBondContact O-N 2.99Å; T275-E278 PolarHBondContact O-N 3.23Å; T275-S279 WeakPolarHBondContact O-CB 3.27Å; T275-S279 PolarHBondContact O-N 2.71Å; T275-S279 PolarHBondContact O-OG 2.99Å
276	I	79.5	Confident	74.8	Confident	38 Å²	38	72.8 Å²	72.8	20%	0.195	40%	0.4	C	S	.	.	H	α-helix	trans	-64.7	-49.2	177	-70	163	0	0	0	110.2	V272 L273 T274 E278 S279 L280 I599	V272-I276 HydrophobicContact CG1-CD1 3.83Å; V272-I276 HydrophobicContact CG1-CG1 4.28Å; V272-I276 VanDerWaalsContact O-CG1 3.32Å; V272-I276 WeakPolarHBondContact O-CG1 3.47Å; V272-I276 PolarHBondContact O-N 3.44Å; L273-I276 PolarHBondContact O-N 3.4Å; T274-I276 VanDerWaalsContact C-N 3.35Å; T274-I276 PolarHBondContact O-N 3.49Å; I276-E278 PolarHBondContact O-N 2.92Å; I276-S279 WeakPolarHBondContact CA-OG 3.17Å; I276-S279 PolarHBondContact O-N 2.91Å; I276-S279 PolarHBondContact O-OG 2.83Å; I276-L280 PolarHBondContact O-N 3.11Å; I276-L280 VanDerWaalsContact O-N 3.16Å; I276-I599 HydrophobicContact CD1-CB 4.34Å; I276-I599 HydrophobicContact CD1-CD1 3.59Å; I276-I599 HydrophobicContact CD1-CG1 3.61Å; I276-I599 HydrophobicContact CD1-CG2 3.8Å
277	V	81.5	Confident	76.7	Confident	40 Å²	40	66.7 Å²	66.7	24%	0.242	37%	0.368	C	S	.	.	H	α-helix	trans	-62.7	-35.3	178.7	174.9	0	0	0	0	110.9	L273 T274 L280 R285 I291 F295	L273-V277 WeakPolarHBondContact O-CG2 3.35Å; L273-V277 PolarHBondContact O-N 2.81Å; T274-V277 PolarHBondContact O-N 2.81Å; V277-L280 PolarHBondContact O-N 3.32Å; V277-R285 PolarHBondContact O-NH2 3.1Å; V277-I291 HydrophobicContact CG1-CD1 3.89Å; V277-F295 HydrophobicContact CG2-CE2 4.5Å; V277-F295 HydrophobicContact CG2-CZ 4.45Å
278	E	83.1	Confident	78.4	Confident	139 Å²	139	70.1 Å²	70.1	65%	0.65	38%	0.383	S	S	*	.	H	α-helix	trans	-68.7	-30.3	172.6	-75.3	173.2	-171.7	0	0	113.2	T274 T275 I276 R285	T274-E278 WeakPolarHBondContact O-CB 3.23Å; T274-E278 VanDerWaalsContact O-CG 3.24Å; T274-E278 WeakPolarHBondContact O-CG 3.43Å; T274-E278 PolarHBondContact O-N 2.77Å; T275-E278 PolarHBondContact O-N 3.23Å; I276-E278 PolarHBondContact O-N 2.92Å; E278-R285 PolarHBondContact O-NH2 3Å
279	S	84.2	Confident	80.2	Confident	87 Å²	87	65.6 Å²	65.6	61%	0.608	35%	0.354	S	S	*	.	H	α-helix	trans	-79.9	-12.7	176.7	75.2	0	0	0	0	114.5	T275 I276	T275-S279 WeakPolarHBondContact O-CB 3.27Å; T275-S279 PolarHBondContact O-N 2.71Å; T275-S279 PolarHBondContact O-OG 2.99Å; I276-S279 WeakPolarHBondContact CA-OG 3.17Å; I276-S279 PolarHBondContact O-N 2.91Å; I276-S279 PolarHBondContact O-OG 2.83Å
280	L	85.3	Confident	81.7	Confident	23 Å²	23	61.8 Å²	61.8	12%	0.12	34%	0.34	C	S	.	.	S	Bend	trans	-61.4	143.5	179.1	-71.1	176.5	0	0	0	111.5	I276 V277 V284 R285 I291 T294	I276-L280 PolarHBondContact O-N 3.11Å; I276-L280 VanDerWaalsContact O-N 3.16Å; V277-L280 PolarHBondContact O-N 3.32Å; L280-V284 HydrophobicContact CB-CB 4.49Å; L280-V284 HydrophobicContact CD1-CG1 4.25Å; L280-R285 PolarHBondContact O-NH2 2.89Å; L280-I291 HydrophobicContact CD1-CG1 4.45Å; L280-T294 HydrophobicContact CD1-CG2 4.47Å; L280-T294 HydrophobicContact CD2-CG2 3.66Å
281	P	86.7	Confident	83.1	Confident	59 Å²	59	60 Å²	60	38%	0.383	33%	0.333	S	S	.	.			trans	-54.7	143.5	177.7	-25.7	34.4	0	0	0	112.3	Y283 V284	P281-Y283 HydrophobicContact CB-CD1 3.6Å; P281-Y283 HydrophobicContact CB-CE1 3.18Å; P281-Y283 HydrophobicContact CB-CG 4.42Å; P281-Y283 HydrophobicContact CG-CE1 3.82Å; P281-Y283 PolarHBondContact O-N 2.92Å; P281-Y283 VanDerWaalsContact O-N 3.11Å; P281-V284 HydrophobicContact CB-CG2 4.24Å; P281-V284 HydrophobicContact CG-CG2 4.42Å; P281-V284 VanDerWaalsContact O-CB 3.3Å; P281-V284 WeakPolarHBondContact O-CB 3.39Å; P281-V284 WeakPolarHBondContact O-CG2 3.39Å; P281-V284 PolarHBondContact O-N 2.85Å
282	N	86.7	Confident	84.6	Confident	129 Å²	129	55.8 Å²	55.8	69%	0.69	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-58	-31.4	-174.9	-70.8	-21.2	0	0	0	113.8	V284 R285	N282-V284 PolarHBondContact O-N 2.93Å; N282-R285 PolarHBondContact O-N 2.74Å; N282-R285 PolarHBondContact OD1-NH1 3.39Å; N282-R285 VanDerWaalsContact OD1-NH1 3.09Å
283	Y	88.3	Confident	86	Confident	62 Å²	62	53.3 Å²	53.3	24%	0.243	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-64.5	-26.9	177.7	69.1	-102.2	0	0	0	112.5	P281 R285 A286 Y287 M701 Q703 M706	P281-Y283 HydrophobicContact CB-CD1 3.6Å; P281-Y283 HydrophobicContact CB-CE1 3.18Å; P281-Y283 HydrophobicContact CB-CG 4.42Å; P281-Y283 HydrophobicContact CG-CE1 3.82Å; P281-Y283 PolarHBondContact O-N 2.92Å; P281-Y283 VanDerWaalsContact O-N 3.11Å; Y283-R285 PolarHBondContact O-N 3.06Å; Y283-A286 VanDerWaalsContact O-CB 3.24Å; Y283-A286 WeakPolarHBondContact O-CB 3.47Å; Y283-A286 PolarHBondContact O-N 2.82Å; Y283-Y287 WeakPolarHBondContact O-CD2 3.45Å; Y283-M701 PolarHBondContact OH-O 2.88Å; Y283-Q703 HydrophobicContact CD2-CB 4.03Å; Y283-Q703 HydrophobicContact CD2-CG 4.34Å; Y283-Q703 HydrophobicContact CG-CB 4.08Å; Y283-Q703 HydrophobicContact CG-CG 4.31Å; Y283-M706 HydrophobicContact CD2-SD 3.94Å; Y283-M706 HydrophobicContact CE2-CE 4.34Å; Y283-M706 HydrophobicContact CE2-SD 3.86Å
284	V	87.3	Confident	86.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.9	-37.2	177	-179.5	0	0	0	0	110.3	L280 P281 N282 A286 Y287 G290 T294 M706	L280-V284 HydrophobicContact CB-CB 4.49Å; L280-V284 HydrophobicContact CD1-CG1 4.25Å; P281-V284 HydrophobicContact CB-CG2 4.24Å; P281-V284 HydrophobicContact CG-CG2 4.42Å; P281-V284 VanDerWaalsContact O-CB 3.3Å; P281-V284 WeakPolarHBondContact O-CB 3.39Å; P281-V284 WeakPolarHBondContact O-CG2 3.39Å; P281-V284 PolarHBondContact O-N 2.85Å; N282-V284 PolarHBondContact O-N 2.93Å; V284-A286 PolarHBondContact O-N 3.2Å; V284-Y287 PolarHBondContact O-N 3.28Å; V284-G290 VanDerWaalsContact CG1-O 3.29Å; V284-G290 WeakPolarHBondContact CG1-O 3.44Å; V284-T294 WeakPolarHBondContact CG1-OG1 3.18Å; V284-M706 HydrophobicContact CB-CE 4.4Å; V284-M706 HydrophobicContact CG1-CE 4.07Å; V284-M706 HydrophobicContact CG2-CE 3.95Å; V284-M706 HydrophobicContact CG2-SD 4.39Å
285	R	84.8	Confident	87.6	Confident	117 Å²	117	49.8 Å²	49.8	44%	0.442	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-74.7	-12.8	177.5	-58.8	-171.6	-171.4	102.5	11.6	113.4	V277 E278 L280 N282 Y283 Y287	V277-R285 PolarHBondContact O-NH2 3.1Å; E278-R285 PolarHBondContact O-NH2 3Å; L280-R285 PolarHBondContact O-NH2 2.89Å; N282-R285 PolarHBondContact O-N 2.74Å; N282-R285 PolarHBondContact OD1-NH1 3.39Å; N282-R285 VanDerWaalsContact OD1-NH1 3.09Å; Y283-R285 PolarHBondContact O-N 3.06Å; R285-Y287 PolarHBondContact O-N 2.81Å
286	A	88.1	Confident	88.3	Confident	79 Å²	79	45.8 Å²	45.8	65%	0.653	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-72.2	-20	175.5	0	0	0	0	0	112.2	Y283 V284	Y283-A286 VanDerWaalsContact O-CB 3.24Å; Y283-A286 WeakPolarHBondContact O-CB 3.47Å; Y283-A286 PolarHBondContact O-N 2.82Å; V284-A286 PolarHBondContact O-N 3.2Å
287	Y	90.2	Very high	88.8	Confident	31 Å²	31	45 Å²	45	12%	0.122	24%	0.238	C	C	.	.	S	Bend	trans	-110.2	128	177.9	-58.1	-78.7	0	0	0	110.1	Y283 V284 R285 F289 G290 M706 E707 N710	Y283-Y287 WeakPolarHBondContact O-CD2 3.45Å; V284-Y287 PolarHBondContact O-N 3.28Å; R285-Y287 PolarHBondContact O-N 2.81Å; Y287-F289 HydrophobicContact CD1-CE1 4.11Å; Y287-F289 HydrophobicContact CD1-CZ 4.06Å; Y287-F289 HydrophobicContact CG-CE1 4.37Å; Y287-F289 HydrophobicContact CG-CZ 4.16Å; Y287-F289 PolarHBondContact O-N 2.87Å; Y287-G290 PolarHBondContact O-N 2.87Å; Y287-M706 HydrophobicContact CD2-CB 3.86Å; Y287-M706 HydrophobicContact CD2-CG 4.5Å; Y287-M706 HydrophobicContact CD2-SD 3.91Å; Y287-M706 HydrophobicContact CE2-CB 3.67Å; Y287-M706 HydrophobicContact CE2-SD 4.35Å; Y287-E707 WeakPolarHBondContact OH-CB 3.43Å; Y287-N710 HydrophobicContact CD1-CB 3.95Å; Y287-N710 HydrophobicContact CE1-CB 3.7Å
288	E	89.9	Confident	89.2	Confident	106 Å²	106	46.3 Å²	46.3	50%	0.495	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.6	-177.5	-52.6	-179.4	149.2	0	0	113.8	N660 R662 N666 L668	E288-N660 VanDerWaalsContact O-CG 3.29Å; E288-N660 PolarHBondContact O-OD1 3.47Å; E288-R662 PolarHBondContact O-NH2 3.35Å; E288-N666 PolarHBondContact OE2-ND2 3.04Å; E288-L668 HydrophobicContact CB-CD2 3.74Å; E288-L668 HydrophobicContact CG-CD2 4.29Å; E288-L668 WeakPolarHBondContact OE2-CD2 3.43Å
289	F	92.5	Very high	89.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-2.4	174.6	65.9	-99.7	0	0	0	113.8	Y287 I291 A292 F293 W314 L668 I672 L709 N710 L713	Y287-F289 HydrophobicContact CD1-CE1 4.11Å; Y287-F289 HydrophobicContact CD1-CZ 4.06Å; Y287-F289 HydrophobicContact CG-CE1 4.37Å; Y287-F289 HydrophobicContact CG-CZ 4.16Å; Y287-F289 PolarHBondContact O-N 2.87Å; F289-I291 VanDerWaalsContact C-N 3.29Å; F289-I291 PolarHBondContact O-N 3.3Å; F289-A292 PolarHBondContact O-N 2.92Å; F289-F293 HydrophobicContact CD2-CB 3.96Å; F289-F293 HydrophobicContact CD2-CD2 4.41Å; F289-F293 HydrophobicContact CE2-CB 4.34Å; F289-F293 HydrophobicContact CE2-CD2 4.1Å; F289-F293 HydrophobicContact CE2-CG 4.49Å; F289-F293 PolarHBondContact O-N 2.7Å; F289-W314 HydrophobicContact CD2-CH2 4.19Å; F289-L668 HydrophobicContact CD1-CD2 3.78Å; F289-L668 HydrophobicContact CD1-CG 4.48Å; F289-I672 HydrophobicContact CB-CD1 3.37Å; F289-I672 HydrophobicContact CD1-CD1 4.25Å; F289-I672 HydrophobicContact CG-CD1 3.98Å; F289-L709 HydrophobicContact CD2-CD2 4.39Å; F289-L709 HydrophobicContact CE2-CD2 3.86Å; F289-L709 HydrophobicContact CE2-CG 4.5Å; F289-L709 HydrophobicContact CZ-CD2 4.32Å; F289-L709 HydrophobicContact CZ-CG 4.49Å; F289-N710 HydrophobicContact CE1-CB 4.13Å; F289-N710 HydrophobicContact CZ-CB 4.07Å; F289-L713 HydrophobicContact CD1-CD1 3.88Å; F289-L713 HydrophobicContact CE1-CD1 3.75Å; F289-L713 HydrophobicContact CG-CD1 4.5Å; F289-L713 HydrophobicContact CZ-CD1 4.26Å
290	G	91.7	Very high	89.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-33.5	-166.7	0	0	0	0	0	113.9	V284 Y287 T294	V284-G290 VanDerWaalsContact CG1-O 3.29Å; V284-G290 WeakPolarHBondContact CG1-O 3.44Å; Y287-G290 PolarHBondContact O-N 2.87Å; G290-T294 WeakPolarHBondContact O-CB 3.48Å; G290-T294 PolarHBondContact O-N 3.25Å; G290-T294 PolarHBondContact O-OG1 3.34Å
291	I	91.6	Very high	89.8	Confident	34 Å²	34	36.9 Å²	36.9	17%	0.174	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-50.6	177	-63	172.9	0	0	0	109.8	V277 L280 F289 F293 T294 F295 N660	V277-I291 HydrophobicContact CG1-CD1 3.89Å; L280-I291 HydrophobicContact CD1-CG1 4.45Å; F289-I291 VanDerWaalsContact C-N 3.29Å; F289-I291 PolarHBondContact O-N 3.3Å; I291-F293 VanDerWaalsContact C-N 3.33Å; I291-F293 PolarHBondContact O-N 2.69Å; I291-T294 PolarHBondContact O-N 2.91Å; I291-F295 HydrophobicContact CG2-CD2 3.64Å; I291-F295 HydrophobicContact CG2-CE2 3.45Å; I291-F295 VanDerWaalsContact CG2-CE2 3.45Å; I291-F295 VanDerWaalsContact O-CD2 3.24Å; I291-F295 WeakPolarHBondContact O-CD2 3.36Å; I291-F295 PolarHBondContact O-N 3.27Å; I291-N660 WeakPolarHBondContact CB-OD1 3.48Å; I291-N660 PolarHBondContact N-OD1 2.88Å
292	A	92.8	Very high	89.5	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-41.1	176.8	0	0	0	0	0	112.3	F289 T294 F295 A296 W314 I659 N660	F289-A292 PolarHBondContact O-N 2.92Å; A292-T294 PolarHBondContact O-N 2.74Å; A292-F295 PolarHBondContact O-N 3.03Å; A292-A296 VanDerWaalsContact O-CB 3.3Å; A292-A296 WeakPolarHBondContact O-CB 3.43Å; A292-A296 PolarHBondContact O-N 2.96Å; A292-W314 HydrophobicContact CB-CZ2 4.14Å; A292-I659 HydrophobicContact CB-CB 4.25Å; A292-I659 HydrophobicContact CB-CG2 3.73Å; A292-N660 WeakPolarHBondContact CB-ND2 3.47Å; A292-N660 PolarHBondContact N-OD1 3.18Å
293	F	93.6	Very high	89.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.3	-47.9	174.3	178.3	-75.9	0	0	0	111.8	F289 I291 F295 A296 F297 F310 W314 I698 M706 L709	F289-F293 HydrophobicContact CD2-CB 3.96Å; F289-F293 HydrophobicContact CD2-CD2 4.41Å; F289-F293 HydrophobicContact CE2-CB 4.34Å; F289-F293 HydrophobicContact CE2-CD2 4.1Å; F289-F293 HydrophobicContact CE2-CG 4.49Å; F289-F293 PolarHBondContact O-N 2.7Å; I291-F293 VanDerWaalsContact C-N 3.33Å; I291-F293 PolarHBondContact O-N 2.69Å; F293-F295 PolarHBondContact O-N 3.02Å; F293-A296 PolarHBondContact O-N 3.44Å; F293-F297 WeakPolarHBondContact O-CB 3.14Å; F293-F297 PolarHBondContact O-N 3.43Å; F293-F310 HydrophobicContact CD2-CE1 4.21Å; F293-F310 HydrophobicContact CD2-CE2 4.26Å; F293-F310 AromaticContact CD2-CZ 3.45Å; F293-F310 HydrophobicContact CD2-CZ 3.45Å; F293-F310 VanDerWaalsContact CD2-CZ 3.45Å; F293-F310 HydrophobicContact CE2-CE1 4.16Å; F293-F310 HydrophobicContact CE2-CE2 4.29Å; F293-F310 AromaticContact CE2-CZ 3.61Å; F293-F310 HydrophobicContact CE2-CZ 3.61Å; F293-F310 HydrophobicContact CG-CE2 4.46Å; F293-F310 AromaticContact CG-CZ 3.99Å; F293-F310 HydrophobicContact CG-CZ 3.99Å; F293-F310 HydrophobicContact CZ-CZ 4.26Å; F293-W314 HydrophobicContact CB-CH2 4.45Å; F293-W314 HydrophobicContact CD2-CZ3 4.31Å; F293-I698 HydrophobicContact CE1-CD1 4.47Å; F293-I698 HydrophobicContact CE2-CD1 3.44Å; F293-I698 VanDerWaalsContact CE2-CD1 3.44Å; F293-I698 HydrophobicContact CZ-CD1 3.42Å; F293-I698 VanDerWaalsContact CZ-CD1 3.42Å; F293-I698 HydrophobicContact CZ-CG2 4.28Å; F293-M706 HydrophobicContact CB-CE 4.3Å; F293-M706 HydrophobicContact CD1-CE 3.28Å; F293-M706 HydrophobicContact CD1-CG 4.01Å; F293-M706 HydrophobicContact CE1-CE 3.76Å; F293-M706 HydrophobicContact CE1-CG 3.84Å; F293-M706 HydrophobicContact CE2-CG 4.35Å; F293-M706 HydrophobicContact CG-CE 3.97Å; F293-M706 HydrophobicContact CG-CG 4.35Å; F293-M706 HydrophobicContact CZ-CG 4Å; F293-L709 HydrophobicContact CD2-CD2 3.65Å; F293-L709 HydrophobicContact CE2-CD2 3.82Å
294	T	91.6	Very high	89.3	Confident	5 Å²	5	29.4 Å²	29.4	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-46.2	-179.3	-59.5	0	0	0	0	110.8	L280 V284 G290 I291 A292 A296 F297 M298 M701	L280-T294 HydrophobicContact CD1-CG2 4.47Å; L280-T294 HydrophobicContact CD2-CG2 3.66Å; V284-T294 WeakPolarHBondContact CG1-OG1 3.18Å; G290-T294 WeakPolarHBondContact O-CB 3.48Å; G290-T294 PolarHBondContact O-N 3.25Å; G290-T294 PolarHBondContact O-OG1 3.34Å; I291-T294 PolarHBondContact O-N 2.91Å; A292-T294 PolarHBondContact O-N 2.74Å; T294-A296 PolarHBondContact O-N 3.13Å; T294-F297 PolarHBondContact O-N 3.49Å; T294-M298 HydrophobicContact CG2-SD 4.49Å; T294-M298 PolarHBondContact O-N 3.08Å; T294-M701 HydrophobicContact CG2-CE 3.77Å; T294-M701 HydrophobicContact CG2-SD 3.59Å; T294-M701 VanDerWaalsContact CG2-SD 3.59Å
295	F	91.6	Very high	89.3	Confident	12 Å²	12	32.9 Å²	32.9	5%	0.053	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-38.8	176.6	-77.3	-60	0	0	0	112.4	V277 I291 A292 F293 F299 L317 I599 Y600 L603 I659	V277-F295 HydrophobicContact CG2-CE2 4.5Å; V277-F295 HydrophobicContact CG2-CZ 4.45Å; I291-F295 HydrophobicContact CG2-CD2 3.64Å; I291-F295 HydrophobicContact CG2-CE2 3.45Å; I291-F295 VanDerWaalsContact CG2-CE2 3.45Å; I291-F295 VanDerWaalsContact O-CD2 3.24Å; I291-F295 WeakPolarHBondContact O-CD2 3.36Å; I291-F295 PolarHBondContact O-N 3.27Å; A292-F295 PolarHBondContact O-N 3.03Å; F293-F295 PolarHBondContact O-N 3.02Å; F295-F299 VanDerWaalsContact O-CB 3.3Å; F295-F299 WeakPolarHBondContact O-CB 3.43Å; F295-F299 PolarHBondContact O-N 3.44Å; F295-L317 HydrophobicContact CB-CD2 3.78Å; F295-I599 HydrophobicContact CE1-CG2 4.25Å; F295-Y600 HydrophobicContact CB-CE1 4.27Å; F295-Y600 AromaticContact CD1-CE1 3.91Å; F295-Y600 HydrophobicContact CD1-CE1 3.91Å; F295-Y600 PolarHBondContact O-OH 2.88Å; F295-L603 HydrophobicContact CB-CD2 4.47Å; F295-L603 HydrophobicContact CD1-CD2 3.88Å; F295-L603 HydrophobicContact CD2-CD1 4.45Å; F295-L603 HydrophobicContact CD2-CD2 3.99Å; F295-L603 HydrophobicContact CE1-CD2 4.05Å; F295-L603 HydrophobicContact CE2-CD1 3.91Å; F295-L603 HydrophobicContact CE2-CD2 4.15Å; F295-L603 HydrophobicContact CG-CD2 3.86Å; F295-L603 HydrophobicContact CZ-CD1 4Å; F295-L603 HydrophobicContact CZ-CD2 4.18Å; F295-I659 HydrophobicContact CD2-CG2 4.19Å
296	A	92.7	Very high	89.4	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-39.1	176.7	0	0	0	0	0	112.4	A292 F293 T294 M298 F299 F310 W314	A292-A296 VanDerWaalsContact O-CB 3.3Å; A292-A296 WeakPolarHBondContact O-CB 3.43Å; A292-A296 PolarHBondContact O-N 2.96Å; F293-A296 PolarHBondContact O-N 3.44Å; T294-A296 PolarHBondContact O-N 3.13Å; A296-M298 PolarHBondContact O-N 2.66Å; A296-F299 PolarHBondContact O-N 2.88Å; A296-F310 HydrophobicContact CB-CE2 3.9Å; A296-F310 HydrophobicContact CB-CZ 4.32Å; A296-W314 HydrophobicContact CB-CB 3.7Å; A296-W314 HydrophobicContact CB-CD2 4.16Å; A296-W314 HydrophobicContact CB-CG 3.78Å
297	F	91.5	Very high	89.2	Confident	21 Å²	21	25.2 Å²	25.2	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-44.1	177.9	179.8	-87.1	0	0	0	112.1	F293 T294 A306 G307 F310 I698 M701	F293-F297 WeakPolarHBondContact O-CB 3.14Å; F293-F297 PolarHBondContact O-N 3.43Å; T294-F297 PolarHBondContact O-N 3.49Å; F297-A306 HydrophobicContact CD1-CB 3.99Å; F297-A306 HydrophobicContact CE1-CB 3.49Å; F297-A306 VanDerWaalsContact CE1-CB 3.49Å; F297-A306 HydrophobicContact CZ-CB 3.97Å; F297-G307 VanDerWaalsContact CE2-CA 3.44Å; F297-G307 PolarHBondContact O-N 2.93Å; F297-G307 VanDerWaalsContact O-N 3.15Å; F297-F310 HydrophobicContact CB-CD2 4.44Å; F297-F310 HydrophobicContact CB-CE2 4.13Å; F297-I698 HydrophobicContact CD2-CB 4.21Å; F297-I698 HydrophobicContact CD2-CG2 4.11Å; F297-I698 HydrophobicContact CE2-CB 4.22Å; F297-I698 HydrophobicContact CE2-CG2 4.02Å; F297-M701 HydrophobicContact CB-CG 4.06Å; F297-M701 HydrophobicContact CB-SD 3.85Å; F297-M701 HydrophobicContact CD1-CE 4.32Å; F297-M701 HydrophobicContact CD1-CG 3.17Å; F297-M701 HydrophobicContact CD1-SD 3.54Å; F297-M701 VanDerWaalsContact CD1-SD 3.54Å; F297-M701 HydrophobicContact CD2-CG 3.92Å; F297-M701 HydrophobicContact CE1-CG 3.46Å; F297-M701 VanDerWaalsContact CE1-CG 3.46Å; F297-M701 HydrophobicContact CE1-SD 4.31Å; F297-M701 HydrophobicContact CE2-CG 4.16Å; F297-M701 HydrophobicContact CG-CG 3.43Å; F297-M701 VanDerWaalsContact CG-CG 3.43Å; F297-M701 HydrophobicContact CG-SD 3.82Å; F297-M701 HydrophobicContact CZ-CG 3.96Å
298	M	89.3	Confident	89.2	Confident	67 Å²	67	23.8 Å²	23.8	33%	0.33	12%	0.123	S	C	.	.	H	α-helix	trans	-84.1	-9.1	-178.9	-64.7	-176.5	65.6	0	0	113.6	T294 A296 L300 D301 Y600 M701	T294-M298 HydrophobicContact CG2-SD 4.49Å; T294-M298 PolarHBondContact O-N 3.08Å; A296-M298 PolarHBondContact O-N 2.66Å; M298-L300 PolarHBondContact O-N 3.28Å; M298-D301 WeakPolarHBondContact O-CB 3.44Å; M298-D301 PolarHBondContact O-N 3.49Å; M298-Y600 VanDerWaalsContact CB-OH 3.32Å; M298-Y600 WeakPolarHBondContact CB-OH 3.49Å; M298-Y600 PolarHBondContact O-OH 2.93Å; M298-M701 HydrophobicContact CG-CE 3.93Å; M298-M701 HydrophobicContact CG-SD 4.27Å; M298-M701 HydrophobicContact SD-CE 3.69Å
299	F	90.8	Very high	89.2	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	136.7	-173.3	-169.3	-128.7	0	0	0	110.8	F295 A296 D301 K313 L316 L317 L320 A362 F365 Y600	F295-F299 VanDerWaalsContact O-CB 3.3Å; F295-F299 WeakPolarHBondContact O-CB 3.43Å; F295-F299 PolarHBondContact O-N 3.44Å; A296-F299 PolarHBondContact O-N 2.88Å; F299-D301 PolarHBondContact O-N 2.96Å; F299-K313 HydrophobicContact CB-CB 4.39Å; F299-K313 HydrophobicContact CD1-CB 4.14Å; F299-K313 HydrophobicContact CD1-CG 4.46Å; F299-K313 WeakPolarHBondContact O-CD 3.4Å; F299-K313 WeakPolarHBondContact O-CE 3.31Å; F299-K313 PolarHBondContact O-NZ 3.14Å; F299-L316 HydrophobicContact CE1-CB 3.94Å; F299-L317 HydrophobicContact CE2-CD1 4.49Å; F299-L320 HydrophobicContact CE1-CD1 4.11Å; F299-L320 HydrophobicContact CE2-CD1 4.36Å; F299-L320 HydrophobicContact CZ-CD1 3.49Å; F299-L320 VanDerWaalsContact CZ-CD1 3.49Å; F299-A362 HydrophobicContact CE1-CB 4.29Å; F299-A362 HydrophobicContact CZ-CB 4.27Å; F299-F365 HydrophobicContact CD2-CE2 4.44Å; F299-F365 AromaticContact CE2-CD2 3.8Å; F299-F365 HydrophobicContact CE2-CD2 3.8Å; F299-F365 AromaticContact CE2-CE2 3.48Å; F299-F365 HydrophobicContact CE2-CE2 3.48Å; F299-F365 VanDerWaalsContact CE2-CE2 3.48Å; F299-F365 HydrophobicContact CE2-CZ 4.19Å; F299-F365 AromaticContact CZ-CD2 3.94Å; F299-F365 HydrophobicContact CZ-CD2 3.94Å; F299-F365 AromaticContact CZ-CE2 3.93Å; F299-F365 HydrophobicContact CZ-CE2 3.93Å; F299-Y600 VanDerWaalsContact CA-OH 3.29Å; F299-Y600 WeakPolarHBondContact CA-OH 3.47Å; F299-Y600 HydrophobicContact CB-CE1 4.3Å; F299-Y600 AromaticContact CD2-CD1 3.69Å; F299-Y600 HydrophobicContact CD2-CD1 3.69Å; F299-Y600 HydrophobicContact CD2-CD2 4.3Å; F299-Y600 AromaticContact CD2-CE1 3.53Å; F299-Y600 HydrophobicContact CD2-CE1 3.53Å; F299-Y600 HydrophobicContact CD2-CE2 4.18Å; F299-Y600 HydrophobicContact CD2-CG 4.09Å; F299-Y600 AromaticContact CD2-CZ 3.8Å; F299-Y600 HydrophobicContact CE2-CD1 4.04Å; F299-Y600 HydrophobicContact CE2-CE1 4.33Å; F299-Y600 HydrophobicContact CE2-CG 4.26Å; F299-Y600 HydrophobicContact CG-CE1 4.33Å; F299-Y600 PolarHBondContact N-OH 2.83Å
300	L	88.5	Confident	89.2	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	34.5	178.8	-55.6	169.8	0	0	0	113.9	M298 N302 V303 T304 L316 L358 A361 A362 F365	M298-L300 PolarHBondContact O-N 3.28Å; L300-N302 WeakPolarHBondContact CA-OD1 3.47Å; L300-N302 PolarHBondContact O-N 3.03Å; L300-N302 VanDerWaalsContact O-N 3.16Å; L300-V303 HydrophobicContact CB-CB 4.42Å; L300-V303 HydrophobicContact CB-CG2 4.43Å; L300-V303 PolarHBondContact O-N 2.86Å; L300-T304 PolarHBondContact O-N 3.19Å; L300-L316 HydrophobicContact CD1-CD1 4.22Å; L300-L358 HydrophobicContact CB-CD1 4.45Å; L300-L358 HydrophobicContact CD1-CD1 3.6Å; L300-L358 HydrophobicContact CD1-CG 3.94Å; L300-A361 HydrophobicContact CD2-CB 3.75Å; L300-A362 HydrophobicContact CD1-CB 4.01Å; L300-F365 HydrophobicContact CD2-CE2 3.8Å
301	D	85.7	Confident	89.3	Confident	49 Å²	49	19.1 Å²	19.1	26%	0.262	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.3	174.7	66.7	-14.8	0	0	0	113.3	M298 F299 T304 F575 N596	M298-D301 WeakPolarHBondContact O-CB 3.44Å; M298-D301 PolarHBondContact O-N 3.49Å; F299-D301 PolarHBondContact O-N 2.96Å; D301-T304 CarbonylContact C-O 3.49Å; D301-T304 VanDerWaalsContact CA-O 3.3Å; D301-T304 WeakPolarHBondContact CA-O 3.49Å; D301-F575 VanDerWaalsContact O-CE2 3.28Å; D301-F575 WeakPolarHBondContact O-CE2 3.4Å; D301-F575 WeakPolarHBondContact O-CZ 3.31Å; D301-N596 PolarHBondContact OD2-ND2 3.13Å
302	N	81.2	Confident	89.4	Confident	67 Å²	67	17.5 Å²	17.5	36%	0.358	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-16.9	172.6	70.4	-52.5	0	0	0	114.1	L300 M597	L300-N302 WeakPolarHBondContact CA-OD1 3.47Å; L300-N302 PolarHBondContact O-N 3.03Å; L300-N302 VanDerWaalsContact O-N 3.16Å; N302-M597 HydrophobicContact CB-CE 4.24Å; N302-M597 WeakPolarHBondContact ND2-CE 3.4Å; N302-M597 WeakPolarHBondContact OD1-CE 3.44Å
303	V	84.7	Confident	89.5	Confident	26 Å²	26	17.5 Å²	17.5	16%	0.158	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-38.7	179.3	-175	0	0	0	0	111.5	L300 L354 N357 A361 F575	L300-V303 HydrophobicContact CB-CB 4.42Å; L300-V303 HydrophobicContact CB-CG2 4.43Å; L300-V303 PolarHBondContact O-N 2.86Å; V303-L354 HydrophobicContact CG1-CD1 4.41Å; V303-N357 HydrophobicContact CG1-CB 4.18Å; V303-A361 HydrophobicContact CG2-CB 3.43Å; V303-A361 VanDerWaalsContact CG2-CB 3.43Å; V303-F575 WeakPolarHBondContact O-CE1 3.45Å
304	T	85.7	Confident	89.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-142.8	146.6	-179.1	48.2	0	0	0	0	109.4	L300 D301 T308 F309 K313 L354 L572	L300-T304 PolarHBondContact O-N 3.19Å; D301-T304 CarbonylContact C-O 3.49Å; D301-T304 VanDerWaalsContact CA-O 3.3Å; D301-T304 WeakPolarHBondContact CA-O 3.49Å; T304-T308 WeakPolarHBondContact CB-OG1 3.48Å; T304-F309 HydrophobicContact CG2-CD2 3.99Å; T304-F309 HydrophobicContact CG2-CE2 4.06Å; T304-K313 PolarHBondContact O-NZ 3.28Å; T304-K313 WeakPolarHBondContact OG1-CE 3.4Å; T304-K313 PolarHBondContact OG1-NZ 3.3Å; T304-L354 HydrophobicContact CG2-CD1 3.72Å; T304-L354 HydrophobicContact CG2-CD2 4.35Å; T304-L354 HydrophobicContact CG2-CG 4.42Å; T304-L572 HydrophobicContact CG2-CD2 4.38Å
305	K	86.3	Confident	89.8	Confident	75 Å²	75	17.3 Å²	17.3	33%	0.326	9%	0.092	S	C	.	.			trans	-52	141.8	178.8	-165.3	168.1	-176.4	168.5	0	111.4	T308 L571 D574 F575	K305-T308 HydrophobicContact CB-CG2 4.15Å; K305-T308 WeakPolarHBondContact O-CB 3.49Å; K305-T308 PolarHBondContact O-N 3.28Å; K305-T308 VanDerWaalsContact O-N 3.16Å; K305-T308 PolarHBondContact O-OG1 3.31Å; K305-L571 HydrophobicContact CD-CB 4.41Å; K305-L571 HydrophobicContact CD-CD2 3.99Å; K305-D574 IonicContact NZ-OD2 2.92Å; K305-D574 PolarHBondContact NZ-OD2 3.36Å; K305-F575 HydrophobicContact CB-CD2 4.01Å
306	A	86.8	Confident	89.9	Confident	35 Å²	35	16.8 Å²	16.8	29%	0.289	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	141.9	179.5	0	0	0	0	0	111.2	F297 T308	F297-A306 HydrophobicContact CD1-CB 3.99Å; F297-A306 HydrophobicContact CE1-CB 3.49Å; F297-A306 VanDerWaalsContact CE1-CB 3.49Å; F297-A306 HydrophobicContact CZ-CB 3.97Å; A306-T308 VanDerWaalsContact C-N 3.26Å; A306-T308 PolarHBondContact O-N 3.18Å
307	G	85	Confident	90	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-11.9	-176.2	0	0	0	0	0	116.5	F297 Y697 I698	F297-G307 VanDerWaalsContact CE2-CA 3.44Å; F297-G307 PolarHBondContact O-N 2.93Å; F297-G307 VanDerWaalsContact O-N 3.15Å; G307-Y697 WeakPolarHBondContact O-CA 3.38Å; G307-I698 WeakPolarHBondContact CA-O 3.17Å; G307-I698 PolarHBondContact O-N 3.05Å
308	T	89.1	Confident	90.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	150.1	170	66.7	0	0	0	0	111.4	T304 K305 A306 F310 K313 M568 L571 Y697	T304-T308 WeakPolarHBondContact CB-OG1 3.48Å; K305-T308 HydrophobicContact CB-CG2 4.15Å; K305-T308 WeakPolarHBondContact O-CB 3.49Å; K305-T308 PolarHBondContact O-N 3.28Å; K305-T308 VanDerWaalsContact O-N 3.16Å; K305-T308 PolarHBondContact O-OG1 3.31Å; A306-T308 VanDerWaalsContact C-N 3.26Å; A306-T308 PolarHBondContact O-N 3.18Å; T308-F310 PolarHBondContact O-N 3.38Å; T308-K313 VanDerWaalsContact O-CD 3.26Å; T308-K313 WeakPolarHBondContact O-CD 3.34Å; T308-K313 WeakPolarHBondContact O-CE 3.34Å; T308-K313 PolarHBondContact O-NZ 2.91Å; T308-M568 HydrophobicContact CG2-CE 3.73Å; T308-M568 HydrophobicContact CG2-SD 3.53Å; T308-M568 VanDerWaalsContact CG2-SD 3.53Å; T308-L571 HydrophobicContact CG2-CD1 4.04Å; T308-Y697 HydrophobicContact CG2-CD2 3.98Å; T308-Y697 HydrophobicContact CG2-CE2 4Å
309	F	90.5	Very high	90.2	Very high	8 Å²	8	12.8 Å²	12.8	4%	0.035	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	34.3	-174.9	-61.4	-90.4	0	0	0	113	T304 L311 L312 K313 L354 S562 M568 H696	T304-F309 HydrophobicContact CG2-CD2 3.99Å; T304-F309 HydrophobicContact CG2-CE2 4.06Å; F309-L311 PolarHBondContact O-N 3.4Å; F309-L312 HydrophobicContact CB-CB 4.38Å; F309-L312 HydrophobicContact CD1-CD2 4.19Å; F309-L312 PolarHBondContact O-N 3.03Å; F309-L312 VanDerWaalsContact O-N 3.08Å; F309-K313 HydrophobicContact CB-CG 4.37Å; F309-K313 WeakPolarHBondContact O-CG 3.33Å; F309-K313 PolarHBondContact O-N 3.3Å; F309-L354 HydrophobicContact CE1-CD2 4.19Å; F309-L354 HydrophobicContact CE2-CD2 3.55Å; F309-L354 HydrophobicContact CZ-CD2 3.29Å; F309-S562 VanDerWaalsContact CZ-CB 3.48Å; F309-M568 HydrophobicContact CE2-CE 4.14Å; F309-M568 HydrophobicContact CE2-SD 4.5Å; F309-H696 PolarHBondContact N-O 3.14Å
310	F	93.2	Very high	90.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.5	-51.2	-164.7	176.2	-102.5	0	0	0	113.1	F293 A296 F297 T308 L312 K313 W314 F695 H696 I698	F293-F310 HydrophobicContact CD2-CE1 4.21Å; F293-F310 HydrophobicContact CD2-CE2 4.26Å; F293-F310 AromaticContact CD2-CZ 3.45Å; F293-F310 HydrophobicContact CD2-CZ 3.45Å; F293-F310 VanDerWaalsContact CD2-CZ 3.45Å; F293-F310 HydrophobicContact CE2-CE1 4.16Å; F293-F310 HydrophobicContact CE2-CE2 4.29Å; F293-F310 AromaticContact CE2-CZ 3.61Å; F293-F310 HydrophobicContact CE2-CZ 3.61Å; F293-F310 HydrophobicContact CG-CE2 4.46Å; F293-F310 AromaticContact CG-CZ 3.99Å; F293-F310 HydrophobicContact CG-CZ 3.99Å; F293-F310 HydrophobicContact CZ-CZ 4.26Å; A296-F310 HydrophobicContact CB-CE2 3.9Å; A296-F310 HydrophobicContact CB-CZ 4.32Å; F297-F310 HydrophobicContact CB-CD2 4.44Å; F297-F310 HydrophobicContact CB-CE2 4.13Å; T308-F310 PolarHBondContact O-N 3.38Å; F310-L312 VanDerWaalsContact C-N 3.33Å; F310-L312 PolarHBondContact O-N 3.02Å; F310-K313 PolarHBondContact O-N 2.94Å; F310-W314 HydrophobicContact CD1-CE3 4.43Å; F310-W314 AromaticContact CE1-CE3 3.45Å; F310-W314 HydrophobicContact CE1-CE3 3.45Å; F310-W314 VanDerWaalsContact CE1-CE3 3.45Å; F310-W314 AromaticContact CE1-CZ3 3.68Å; F310-W314 HydrophobicContact CE1-CZ3 3.68Å; F310-W314 AromaticContact CZ-CE3 3.55Å; F310-W314 HydrophobicContact CZ-CE3 3.55Å; F310-W314 AromaticContact CZ-CZ3 3.75Å; F310-W314 HydrophobicContact CZ-CZ3 3.75Å; F310-W314 WeakPolarHBondContact O-CB 3.37Å; F310-W314 PolarHBondContact O-N 2.54Å; F310-F695 WeakPolarHBondContact CD1-O 3.39Å; F310-H696 PolarHBondContact N-O 2.93Å; F310-I698 HydrophobicContact CB-CD1 4.5Å; F310-I698 HydrophobicContact CB-CG1 4.25Å; F310-I698 HydrophobicContact CD1-CD1 3.47Å; F310-I698 VanDerWaalsContact CD1-CD1 3.47Å; F310-I698 HydrophobicContact CD1-CG1 4.02Å; F310-I698 HydrophobicContact CD2-CD1 3.72Å; F310-I698 HydrophobicContact CD2-CG1 4.22Å; F310-I698 HydrophobicContact CE1-CD1 3.44Å; F310-I698 VanDerWaalsContact CE1-CD1 3.44Å; F310-I698 HydrophobicContact CE1-CG1 4.46Å; F310-I698 HydrophobicContact CE2-CD1 3.71Å; F310-I698 HydrophobicContact CG-CD1 3.61Å; F310-I698 HydrophobicContact CG-CG1 3.88Å; F310-I698 HydrophobicContact CZ-CD1 3.57Å
311	L	93.7	Very high	90.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.4	-35.2	178.4	-65.1	178	0	0	0	113	F309 W314 L315 Y675 I676 T679 F680 F695	F309-L311 PolarHBondContact O-N 3.4Å; L311-W314 PolarHBondContact O-N 3.09Å; L311-L315 WeakPolarHBondContact O-CB 3.41Å; L311-L315 PolarHBondContact O-N 3.17Å; L311-Y675 HydrophobicContact CD1-CE1 4.43Å; L311-Y675 HydrophobicContact CD2-CD1 4.41Å; L311-Y675 HydrophobicContact CD2-CE1 3.65Å; L311-I676 HydrophobicContact CD2-CG1 4.37Å; L311-T679 HydrophobicContact CD1-CG2 3.9Å; L311-F680 HydrophobicContact CB-CE2 4.23Å; L311-F680 HydrophobicContact CB-CZ 3.88Å; L311-F695 WeakPolarHBondContact CG-O 2.94Å
312	L	94.4	Very high	89.3	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.3	-42.6	177	173	56.9	0	0	0	110.6	F309 F310 W314 L315 L316 L346 L358 V556 A561 F680	F309-L312 HydrophobicContact CB-CB 4.38Å; F309-L312 HydrophobicContact CD1-CD2 4.19Å; F309-L312 PolarHBondContact O-N 3.03Å; F309-L312 VanDerWaalsContact O-N 3.08Å; F310-L312 VanDerWaalsContact C-N 3.33Å; F310-L312 PolarHBondContact O-N 3.02Å; L312-W314 VanDerWaalsContact C-N 3.35Å; L312-W314 PolarHBondContact O-N 2.74Å; L312-L315 WeakPolarHBondContact O-CB 3.21Å; L312-L315 PolarHBondContact O-N 3.42Å; L312-L316 HydrophobicContact CD1-CD1 4.36Å; L312-L316 HydrophobicContact CD1-CG 4.21Å; L312-L316 HydrophobicContact CG-CD1 4.33Å; L312-L316 VanDerWaalsContact O-CG 3.27Å; L312-L316 WeakPolarHBondContact O-CG 3.38Å; L312-L316 PolarHBondContact O-N 3.26Å; L312-L346 HydrophobicContact CD1-CD2 3.81Å; L312-L346 HydrophobicContact CD2-CD1 4.33Å; L312-L346 HydrophobicContact CD2-CD2 4.34Å; L312-L358 HydrophobicContact CD2-CD2 3.37Å; L312-L358 HydrophobicContact CG-CD2 3.77Å; L312-V556 HydrophobicContact CD1-CG1 4.2Å; L312-V556 HydrophobicContact CD1-CG2 4.39Å; L312-V556 HydrophobicContact CD2-CG1 4.46Å; L312-A561 HydrophobicContact CB-CB 4.31Å; L312-A561 HydrophobicContact CD2-CB 4.31Å; L312-F680 HydrophobicContact CB-CZ 4.26Å
313	K	94.4	Very high	88.2	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.4	-41.2	174.2	-73.7	177.6	175	-166.4	0	112.1	F299 T304 T308 F309 F310 L316 L317	F299-K313 HydrophobicContact CB-CB 4.39Å; F299-K313 HydrophobicContact CD1-CB 4.14Å; F299-K313 HydrophobicContact CD1-CG 4.46Å; F299-K313 WeakPolarHBondContact O-CD 3.4Å; F299-K313 WeakPolarHBondContact O-CE 3.31Å; F299-K313 PolarHBondContact O-NZ 3.14Å; T304-K313 PolarHBondContact O-NZ 3.28Å; T304-K313 WeakPolarHBondContact OG1-CE 3.4Å; T304-K313 PolarHBondContact OG1-NZ 3.3Å; T308-K313 VanDerWaalsContact O-CD 3.26Å; T308-K313 WeakPolarHBondContact O-CD 3.34Å; T308-K313 WeakPolarHBondContact O-CE 3.34Å; T308-K313 PolarHBondContact O-NZ 2.91Å; F309-K313 HydrophobicContact CB-CG 4.37Å; F309-K313 WeakPolarHBondContact O-CG 3.33Å; F309-K313 PolarHBondContact O-N 3.3Å; F310-K313 PolarHBondContact O-N 2.94Å; K313-L316 PolarHBondContact O-N 3.48Å; K313-L317 PolarHBondContact O-N 3.34Å
314	W	95.3	Very high	86.8	Confident	1 Å²	1	10.4 Å²	10.4	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-62	-48.8	173.8	-160.6	-17.8	0	0	0	110.4	F289 A292 F293 A296 F310 L311 L312 L316 L317 L318 N656 I672 I676 L709	F289-W314 HydrophobicContact CD2-CH2 4.19Å; A292-W314 HydrophobicContact CB-CZ2 4.14Å; F293-W314 HydrophobicContact CB-CH2 4.45Å; F293-W314 HydrophobicContact CD2-CZ3 4.31Å; A296-W314 HydrophobicContact CB-CB 3.7Å; A296-W314 HydrophobicContact CB-CD2 4.16Å; A296-W314 HydrophobicContact CB-CG 3.78Å; F310-W314 HydrophobicContact CD1-CE3 4.43Å; F310-W314 AromaticContact CE1-CE3 3.45Å; F310-W314 HydrophobicContact CE1-CE3 3.45Å; F310-W314 VanDerWaalsContact CE1-CE3 3.45Å; F310-W314 AromaticContact CE1-CZ3 3.68Å; F310-W314 HydrophobicContact CE1-CZ3 3.68Å; F310-W314 AromaticContact CZ-CE3 3.55Å; F310-W314 HydrophobicContact CZ-CE3 3.55Å; F310-W314 AromaticContact CZ-CZ3 3.75Å; F310-W314 HydrophobicContact CZ-CZ3 3.75Å; F310-W314 WeakPolarHBondContact O-CB 3.37Å; F310-W314 PolarHBondContact O-N 2.54Å; L311-W314 PolarHBondContact O-N 3.09Å; L312-W314 VanDerWaalsContact C-N 3.35Å; L312-W314 PolarHBondContact O-N 2.74Å; W314-L316 VanDerWaalsContact C-N 3.33Å; W314-L316 PolarHBondContact O-N 3.06Å; W314-L317 WeakPolarHBondContact O-CB 3.48Å; W314-L317 PolarHBondContact O-N 3.14Å; W314-L317 VanDerWaalsContact O-N 3.12Å; W314-L318 WeakPolarHBondContact O-CG 3.36Å; W314-L318 PolarHBondContact O-N 3.27Å; W314-N656 PolarHBondContact NE1-OD1 3.44Å; W314-N656 VanDerWaalsContact NE1-OD1 3.17Å; W314-I672 HydrophobicContact CH2-CD1 4.39Å; W314-I672 HydrophobicContact CH2-CG2 4.14Å; W314-I672 HydrophobicContact CZ2-CD1 4.3Å; W314-I672 HydrophobicContact CZ2-CG2 3.74Å; W314-I676 HydrophobicContact CB-CD1 4.3Å; W314-I676 HydrophobicContact CD2-CD1 3.92Å; W314-I676 HydrophobicContact CE3-CD1 4.37Å; W314-I676 HydrophobicContact CG-CD1 3.86Å; W314-L709 HydrophobicContact CH2-CD2 4.1Å; W314-L709 HydrophobicContact CZ3-CD2 3.75Å
315	L	95.4	Very high	85.2	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-55.3	-46.8	175.8	174.7	63.2	0	0	0	112	L311 L312 L317 L318 L319 L344 I554 V556 L652 I676 F680	L311-L315 WeakPolarHBondContact O-CB 3.41Å; L311-L315 PolarHBondContact O-N 3.17Å; L312-L315 WeakPolarHBondContact O-CB 3.21Å; L312-L315 PolarHBondContact O-N 3.42Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-L317 PolarHBondContact O-N 2.93Å; L315-L318 WeakPolarHBondContact O-CB 3.37Å; L315-L318 PolarHBondContact O-N 2.89Å; L315-L319 HydrophobicContact CD1-CD1 4.08Å; L315-L319 HydrophobicContact CD1-CG 4.1Å; L315-L319 HydrophobicContact CG-CD1 3.99Å; L315-L319 HydrophobicContact CG-CG 4.42Å; L315-L319 VanDerWaalsContact O-CG 3.32Å; L315-L319 WeakPolarHBondContact O-CG 3.24Å; L315-L319 PolarHBondContact O-N 2.95Å; L315-L344 HydrophobicContact CD2-CD1 4.05Å; L315-I554 HydrophobicContact CD1-CD1 3.68Å; L315-I554 HydrophobicContact CD2-CD1 4.37Å; L315-I554 HydrophobicContact CD2-CG2 3.9Å; L315-V556 HydrophobicContact CD2-CG2 3.99Å; L315-L652 HydrophobicContact CD1-CD1 4.31Å; L315-L652 HydrophobicContact CD1-CD2 3.85Å; L315-I676 HydrophobicContact CB-CG2 3.99Å; L315-I676 HydrophobicContact CD1-CG2 4.13Å; L315-F680 HydrophobicContact CB-CE2 4.26Å; L315-F680 HydrophobicContact CD2-CD2 3.83Å; L315-F680 HydrophobicContact CD2-CE2 3.84Å
316	L	94.6	Very high	83.1	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.1	-44.2	177.4	-70.6	171.2	0	0	0	111.4	F299 L300 L312 K313 W314 L318 L319 L320 L344 L358 L359 A362 W494	F299-L316 HydrophobicContact CE1-CB 3.94Å; L300-L316 HydrophobicContact CD1-CD1 4.22Å; L312-L316 HydrophobicContact CD1-CD1 4.36Å; L312-L316 HydrophobicContact CD1-CG 4.21Å; L312-L316 HydrophobicContact CG-CD1 4.33Å; L312-L316 VanDerWaalsContact O-CG 3.27Å; L312-L316 WeakPolarHBondContact O-CG 3.38Å; L312-L316 PolarHBondContact O-N 3.26Å; K313-L316 PolarHBondContact O-N 3.48Å; W314-L316 VanDerWaalsContact C-N 3.33Å; W314-L316 PolarHBondContact O-N 3.06Å; L316-L318 VanDerWaalsContact C-N 3.34Å; L316-L318 PolarHBondContact O-N 2.94Å; L316-L319 PolarHBondContact O-N 3.48Å; L316-L320 WeakPolarHBondContact O-CB 3.29Å; L316-L320 WeakPolarHBondContact O-CD1 3.17Å; L316-L320 WeakPolarHBondContact O-CG 3Å; L316-L320 PolarHBondContact O-N 3.39Å; L316-L344 HydrophobicContact CD2-CD2 3.47Å; L316-L344 VanDerWaalsContact CD2-CD2 3.47Å; L316-L358 HydrophobicContact CD1-CD2 3.73Å; L316-L358 HydrophobicContact CD1-CG 3.95Å; L316-L359 HydrophobicContact CD2-CD2 3.51Å; L316-A362 HydrophobicContact CD1-CB 4.09Å; L316-A362 HydrophobicContact CD2-CB 4.44Å; L316-W494 HydrophobicContact CD2-CH2 3.84Å; L316-W494 HydrophobicContact CD2-CZ2 4.06Å; L316-W494 HydrophobicContact CD2-CZ3 4.18Å
317	L	93.3	Very high	80.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-41.6	176.1	-170.4	67.2	0	0	0	111.8	F295 F299 K313 W314 L315 L320 V321 Y600 L603 L604 I659	F295-L317 HydrophobicContact CB-CD2 3.78Å; F299-L317 HydrophobicContact CE2-CD1 4.49Å; K313-L317 PolarHBondContact O-N 3.34Å; W314-L317 WeakPolarHBondContact O-CB 3.48Å; W314-L317 PolarHBondContact O-N 3.14Å; W314-L317 VanDerWaalsContact O-N 3.12Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-L317 PolarHBondContact O-N 2.93Å; L317-L320 PolarHBondContact O-N 2.92Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.32Å; L317-V321 VanDerWaalsContact O-N 3.16Å; L317-Y600 HydrophobicContact CD1-CD1 4.4Å; L317-L603 HydrophobicContact CD1-CD2 4.45Å; L317-L604 HydrophobicContact CD1-CD2 4.38Å; L317-I659 HydrophobicContact CD2-CD1 3.9Å; L317-I659 HydrophobicContact CD2-CG2 4.38Å; L317-I659 HydrophobicContact CG-CD1 3.76Å
318	L	93.8	Very high	78.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-42.8	175.7	-62.2	-175.8	0	0	0	111.9	W314 L315 L316 Q322 L652 S655 N656 I659 I676	W314-L318 WeakPolarHBondContact O-CG 3.36Å; W314-L318 PolarHBondContact O-N 3.27Å; L315-L318 WeakPolarHBondContact O-CB 3.37Å; L315-L318 PolarHBondContact O-N 2.89Å; L316-L318 VanDerWaalsContact C-N 3.34Å; L316-L318 PolarHBondContact O-N 2.94Å; L318-Q322 PolarHBondContact O-N 3.15Å; L318-L652 HydrophobicContact CB-CD2 3.76Å; L318-L652 HydrophobicContact CD1-CB 4.24Å; L318-L652 HydrophobicContact CD1-CD2 4.05Å; L318-S655 WeakPolarHBondContact O-CB 2.86Å; L318-S655 PolarHBondContact O-OG 3.29Å; L318-N656 HydrophobicContact CD2-CB 3.72Å; L318-I659 HydrophobicContact CD2-CD1 3.71Å; L318-I676 HydrophobicContact CD1-CD1 3.82Å
319	L	92.6	Very high	76.5	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-68.6	-35.6	179	-67.5	173.3	0	0	0	112.2	L315 L316 Q322 P342 L344 W494 L652	L315-L319 HydrophobicContact CD1-CD1 4.08Å; L315-L319 HydrophobicContact CD1-CG 4.1Å; L315-L319 HydrophobicContact CG-CD1 3.99Å; L315-L319 HydrophobicContact CG-CG 4.42Å; L315-L319 VanDerWaalsContact O-CG 3.32Å; L315-L319 WeakPolarHBondContact O-CG 3.24Å; L315-L319 PolarHBondContact O-N 2.95Å; L316-L319 PolarHBondContact O-N 3.48Å; L319-Q322 WeakPolarHBondContact O-CB 3.28Å; L319-Q322 PolarHBondContact O-N 2.93Å; L319-P342 HydrophobicContact CD2-CB 3.86Å; L319-P342 HydrophobicContact CD2-CG 4.12Å; L319-L344 HydrophobicContact CD1-CB 4.05Å; L319-L344 HydrophobicContact CD1-CD1 4.46Å; L319-L344 HydrophobicContact CD1-CD2 3.88Å; L319-L344 HydrophobicContact CD1-CG 4.36Å; L319-W494 HydrophobicContact CB-CZ2 4.16Å; L319-L652 HydrophobicContact CD2-CD2 4.09Å; L319-L652 HydrophobicContact CG-CD2 4.5Å
320	L	89.9	Confident	74.2	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-37.4	177.7	-73.4	168.3	0	0	0	112.9	F299 L316 L317 Q322 A362 T366 I438 W494 L604	F299-L320 HydrophobicContact CE1-CD1 4.11Å; F299-L320 HydrophobicContact CE2-CD1 4.36Å; F299-L320 HydrophobicContact CZ-CD1 3.49Å; F299-L320 VanDerWaalsContact CZ-CD1 3.49Å; L316-L320 WeakPolarHBondContact O-CB 3.29Å; L316-L320 WeakPolarHBondContact O-CD1 3.17Å; L316-L320 WeakPolarHBondContact O-CG 3Å; L316-L320 PolarHBondContact O-N 3.39Å; L317-L320 PolarHBondContact O-N 2.92Å; L320-Q322 PolarHBondContact O-N 3.26Å; L320-A362 HydrophobicContact CD1-CB 4.45Å; L320-A362 WeakPolarHBondContact CD2-O 3.16Å; L320-T366 HydrophobicContact CD2-CG2 3.21Å; L320-I438 HydrophobicContact CD2-CD1 3.69Å; L320-W494 HydrophobicContact CD1-CH2 4.45Å; L320-W494 HydrophobicContact CD2-CH2 3.67Å; L320-W494 HydrophobicContact CD2-CZ2 4.17Å; L320-W494 HydrophobicContact CG-CH2 3.9Å; L320-W494 HydrophobicContact CG-CZ2 4.26Å; L320-L604 HydrophobicContact CB-CD1 4.33Å; L320-L604 HydrophobicContact CB-CD2 3.74Å; L320-L604 HydrophobicContact CD1-CD1 4.43Å
321	V	86.2	Confident	71.8	Confident	5 Å²	5	48 Å²	48	3%	0.03	24%	0.237	C	C	.	.	H	α-helix	trans	-70.4	-22.4	177.8	166.5	0	0	0	0	112.4	L317 N323 L604 C607 K658 I659	L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.32Å; L317-V321 VanDerWaalsContact O-N 3.16Å; V321-N323 PolarHBondContact O-N 2.87Å; V321-L604 HydrophobicContact CG2-CD2 3.6Å; V321-C607 HydrophobicContact CG1-CB 4.01Å; V321-C607 HydrophobicContact CG2-CB 4.2Å; V321-K658 HydrophobicContact CG1-CB 4.03Å; V321-K658 HydrophobicContact CG1-CD 3.78Å; V321-K658 HydrophobicContact CG1-CG 4.1Å; V321-I659 HydrophobicContact CB-CG1 4.44Å; V321-I659 HydrophobicContact CG1-CG1 4.42Å; V321-I659 HydrophobicContact CG2-CD1 3.95Å; V321-I659 HydrophobicContact CG2-CG1 3.67Å
322	Q	69.5	Low	69.2	Low	18 Å²	18	52.9 Å²	52.9	8%	0.084	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	9.8	-164.8	-142.2	-173.1	-71.6	0	0	116.2	L318 L319 L320 E324 K651 S655	L318-Q322 PolarHBondContact O-N 3.15Å; L319-Q322 WeakPolarHBondContact O-CB 3.28Å; L319-Q322 PolarHBondContact O-N 2.93Å; L320-Q322 PolarHBondContact O-N 3.26Å; Q322-E324 PolarHBondContact O-N 2.61Å; Q322-K651 HydrophobicContact CG-CB 3.76Å; Q322-S655 WeakPolarHBondContact CG-OG 3.39Å
323	N	57.6	Low	66.5	Low	16 Å²	16	60 Å²	60	9%	0.086	30%	0.301	C	S	.	.			trans	-78.4	35.6	-177.8	-66.2	-25.4	0	0	0	113.2	V321 F325	V321-N323 PolarHBondContact O-N 2.87Å; N323-F325 HydrophobicContact CB-CE2 3.93Å; N323-F325 HydrophobicContact CB-CZ 4.01Å; N323-F325 WeakPolarHBondContact O-CD2 3.45Å; N323-F325 WeakPolarHBondContact O-CE2 3.39Å; N323-F325 PolarHBondContact O-N 2.86Å
324	E	55.3	Low	63.7	Low	49 Å²	49	67.6 Å²	67.6	23%	0.229	33%	0.334	C	S	.	.			trans	-75.5	99.3	169.1	-72.9	-171.3	176.5	0	0	109.5	Q322 T326 K658	Q322-E324 PolarHBondContact O-N 2.61Å; E324-T326 VanDerWaalsContact C-N 3.32Å; E324-T326 PolarHBondContact O-N 2.97Å; E324-K658 VanDerWaalsContact CG-NZ 3.3Å; E324-K658 WeakPolarHBondContact OE1-CD 3.06Å; E324-K658 WeakPolarHBondContact OE1-CE 3.45Å; E324-K658 IonicContact OE1-NZ 2.63Å; E324-K658 PolarHBondContact OE1-NZ 3.18Å
325	F	52.2	Low	60.9	Low	68 Å²	68	69 Å²	69	30%	0.298	34%	0.343	S	S	.	.			trans	-90.5	75.2	168.2	-50.4	-64.1	0	0	0	108.1	N323 E327 E490	N323-F325 HydrophobicContact CB-CE2 3.93Å; N323-F325 HydrophobicContact CB-CZ 4.01Å; N323-F325 WeakPolarHBondContact O-CD2 3.45Å; N323-F325 WeakPolarHBondContact O-CE2 3.39Å; N323-F325 PolarHBondContact O-N 2.86Å; F325-E327 PolarHBondContact O-N 3.13Å; F325-E490 HydrophobicContact CB-CG 4.35Å; F325-E490 HydrophobicContact CD1-CB 3.61Å; F325-E490 HydrophobicContact CD1-CG 3.35Å; F325-E490 HydrophobicContact CD2-CB 4.3Å; F325-E490 HydrophobicContact CD2-CG 4.23Å; F325-E490 HydrophobicContact CE1-CB 3.3Å; F325-E490 HydrophobicContact CE1-CG 3.65Å; F325-E490 WeakPolarHBondContact CE1-O 3.25Å; F325-E490 HydrophobicContact CE2-CB 4.03Å; F325-E490 HydrophobicContact CE2-CG 4.46Å; F325-E490 HydrophobicContact CG-CB 4.11Å; F325-E490 HydrophobicContact CG-CG 3.69Å; F325-E490 HydrophobicContact CZ-CB 3.54Å; F325-E490 HydrophobicContact CZ-CG 4.21Å; F325-E490 WeakPolarHBondContact CZ-O 3.46Å
326	T	42.6	Very low	58.3	Low	80 Å²	80	76.5 Å²	76.5	49%	0.491	38%	0.379	S	S	.	.			trans	-71.5	128.7	170	-23.2	0	0	0	0	107.8	E324 T612	E324-T326 VanDerWaalsContact C-N 3.32Å; E324-T326 PolarHBondContact O-N 2.97Å; T326-T612 HydrophobicContact CG2-CG2 3.72Å
327	E	41.3	Very low	55.9	Low	172 Å²	172	80.9 Å²	80.9	80%	0.804	40%	0.401	S	S	*	.			trans	-53.7	137.2	164.6	-69.4	-167.6	163.2	0	0	108.2	F325 D329	F325-E327 PolarHBondContact O-N 3.13Å; E327-D329 PolarHBondContact O-N 3.12Å
328	P	41.1	Very low	53.9	Low	80 Å²	80	82.7 Å²	82.7	52%	0.519	41%	0.414	S	S	.	.			trans	-60.9	114.9	178.9	24.6	-31.6	0	0	0	108.2	E330	P328-E330 PolarHBondContact O-N 2.95Å
329	D	39.4	Very low	52.3	Low	114 Å²	114	86.7 Å²	86.7	61%	0.61	44%	0.441	S	S	*	.			trans	-57.6	112.2	164.7	-103.1	-28.4	0	0	0	106.9	E327 K331 L332 S335	E327-D329 PolarHBondContact O-N 3.12Å; D329-K331 PolarHBondContact O-N 3.01Å; D329-L332 HydrophobicContact CB-CD1 4.44Å; D329-L332 PolarHBondContact O-N 2.81Å; D329-S335 PolarHBondContact O-OG 3.43Å
330	E	42.2	Very low	51.4	Low	195 Å²	195	87.4 Å²	87.4	91%	0.911	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-15.7	-177.4	-70.1	-175.7	154.2	0	0	113	P328	P328-E330 PolarHBondContact O-N 2.95Å
331	K	42.2	Very low	51	Low	198 Å²	198	87.4 Å²	87.4	86%	0.861	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-9.1	-173.7	-66.3	-177.9	-179.1	175.5	0	114.9	D329	D329-K331 PolarHBondContact O-N 3.01Å
332	L	40.8	Very low	51.1	Low	104 Å²	104	87.2 Å²	87.2	55%	0.545	44%	0.443	S	S	.	.			trans	-111.6	109.8	-178.8	-71.9	162.1	0	0	0	109.6	D329 F334 S335	D329-L332 HydrophobicContact CB-CD1 4.44Å; D329-L332 PolarHBondContact O-N 2.81Å; L332-F334 PolarHBondContact O-N 2.91Å; L332-S335 WeakPolarHBondContact O-CB 3.31Å; L332-S335 PolarHBondContact O-N 3.41Å; L332-S335 PolarHBondContact O-OG 3.29Å
333	L	36.8	Very low	52.1	Low	150 Å²	150	86.4 Å²	86.4	79%	0.785	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-21.5	171.5	-96.7	142.8	0	0	0	113.4
334	F	35.3	Very low	53.9	Low	158 Å²	158	85.7 Å²	85.7	69%	0.693	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.1	172.9	-91.4	-90.5	0	0	0	114.8	L332 Q336 I337	L332-F334 PolarHBondContact O-N 2.91Å; F334-Q336 PolarHBondContact O-N 2.91Å; F334-I337 HydrophobicContact CD1-CD1 3.51Å; F334-I337 HydrophobicContact CE1-CD1 3.67Å; F334-I337 HydrophobicContact CG-CD1 4.07Å; F334-I337 HydrophobicContact CZ-CD1 4.36Å; F334-I337 PolarHBondContact O-N 2.99Å; F334-I337 VanDerWaalsContact O-N 3.11Å
335	S	37.3	Very low	55.7	Low	30 Å²	30	83.4 Å²	83.4	21%	0.21	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.1	176	70	0	0	0	0	112.4	D329 L332 I337	D329-S335 PolarHBondContact O-OG 3.43Å; L332-S335 WeakPolarHBondContact O-CB 3.31Å; L332-S335 PolarHBondContact O-N 3.41Å; L332-S335 PolarHBondContact O-OG 3.29Å; S335-I337 VanDerWaalsContact C-N 3.32Å
336	Q	39.4	Very low	57.7	Low	159 Å²	159	80.1 Å²	80.1	74%	0.743	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.6	173.5	-63.8	-178.6	-13.3	0	0	113.1	F334 S338	F334-Q336 PolarHBondContact O-N 2.91Å; Q336-S338 PolarHBondContact O-N 3.32Å
337	I	44.4	Very low	59.9	Low	92 Å²	92	77.2 Å²	77.2	47%	0.472	39%	0.392	S	S	.	.	S	Bend	trans	-84.8	86.3	-177.2	-61.2	173.4	0	0	0	109.2	F334 S335 P647	F334-I337 HydrophobicContact CD1-CD1 3.51Å; F334-I337 HydrophobicContact CE1-CD1 3.67Å; F334-I337 HydrophobicContact CG-CD1 4.07Å; F334-I337 HydrophobicContact CZ-CD1 4.36Å; F334-I337 PolarHBondContact O-N 2.99Å; F334-I337 VanDerWaalsContact O-N 3.11Å; S335-I337 VanDerWaalsContact C-N 3.32Å; I337-P647 HydrophobicContact CG2-CG 4.21Å
338	S	52.6	Low	62	Low	39 Å²	39	69.2 Å²	69.2	27%	0.273	36%	0.355	S	S	.	.			trans	53.2	83.2	170	-167.8	0	0	0	0	116.2	Q336 R340 K651	Q336-S338 PolarHBondContact O-N 3.32Å; S338-R340 PolarHBondContact O-N 3.06Å; S338-R340 VanDerWaalsContact O-N 3.1Å; S338-K651 PolarHBondContact O-NZ 3.21Å
339	C	59.2	Low	63.9	Low	83 Å²	83	66.9 Å²	66.9	56%	0.561	34%	0.341	S	S	*	.			trans	-60.3	-11.3	164	-64.9	0	0	0	0	113.4
340	R	74	Confident	65.6	Low	20 Å²	20	67 Å²	67	8%	0.075	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-67	127.2	-175.1	-179.5	-162.5	161.8	71	33.1	112.8	S338 A458 L459 M462 T463 K651	S338-R340 PolarHBondContact O-N 3.06Å; S338-R340 VanDerWaalsContact O-N 3.1Å; R340-A458 PolarHBondContact NH1-O 3.31Å; R340-L459 VanDerWaalsContact CZ-O 3.29Å; R340-L459 PolarHBondContact NE-O 2.96Å; R340-L459 VanDerWaalsContact NH1-CA 3.3Å; R340-L459 PolarHBondContact NH1-O 3.35Å; R340-M462 HydrophobicContact CG-CB 4.5Å; R340-M462 PolarHBondContact NH1-SD 3.21Å; R340-T463 HydrophobicContact CB-CG2 3.6Å; R340-K651 PolarHBondContact O-NZ 2.9Å
341	P	81.4	Confident	67.1	Low	5 Å²	5	60.6 Å²	60.6	3%	0.032	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-65.3	145	172.8	27.7	-34.4	0	0	0	112.4	A343 T491 T492	P341-A343 PolarHBondContact O-N 3.34Å; P341-T491 VanDerWaalsContact CG-C 3.45Å; P341-T491 VanDerWaalsContact CG-O 3.29Å; P341-T491 WeakPolarHBondContact CG-O 3.44Å; P341-T492 HydrophobicContact CB-CG2 4.4Å; P341-T492 WeakPolarHBondContact CB-OG1 3.49Å; P341-T492 WeakPolarHBondContact CG-OG1 3.22Å
342	P	88.3	Confident	68.7	Low	2 Å²	2	52.7 Å²	52.7	1%	0.013	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.3	128.3	179.9	-23.4	31.3	0	0	0	111.9	L319 T492 D553 T648 K651	L319-P342 HydrophobicContact CD2-CB 3.86Å; L319-P342 HydrophobicContact CD2-CG 4.12Å; P342-T492 WeakPolarHBondContact O-CG2 3.35Å; P342-D553 VanDerWaalsContact CA-OD2 3.24Å; P342-D553 WeakPolarHBondContact CA-OD2 3.34Å; P342-D553 HydrophobicContact CB-CB 4.02Å; P342-T648 HydrophobicContact CB-CG2 4.01Å; P342-T648 HydrophobicContact CG-CG2 3.95Å; P342-K651 HydrophobicContact CG-CD 4.46Å
343	A	91.5	Very high	70.7	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-80.9	137	171.7	0	0	0	0	0	110.8	P341 L459 I493 F552 D553 I554	P341-A343 PolarHBondContact O-N 3.34Å; A343-L459 HydrophobicContact CB-CD2 3.44Å; A343-L459 VanDerWaalsContact CB-CD2 3.44Å; A343-I493 CarbonylContact C-O 3.6Å; A343-I493 WeakPolarHBondContact CA-O 3.28Å; A343-I493 HydrophobicContact CB-CB 4.2Å; A343-F552 HydrophobicContact CB-CD1 3.45Å; A343-F552 VanDerWaalsContact CB-CD1 3.45Å; A343-F552 HydrophobicContact CB-CE1 3.91Å; A343-F552 HydrophobicContact CB-CG 4.31Å; A343-D553 PolarHBondContact N-OD2 3.05Å; A343-D553 PolarHBondContact O-N 2.81Å; A343-D553 VanDerWaalsContact O-N 3.13Å; A343-I554 PolarHBondContact O-N 3.41Å; A343-I554 VanDerWaalsContact O-N 3.08Å
344	L	94.2	Very high	73	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.3	178.9	177.9	66.2	0	0	0	110.8	L315 L316 L319 L346 L359 I493 W494 A495 F552 I554 V556	L315-L344 HydrophobicContact CD2-CD1 4.05Å; L316-L344 HydrophobicContact CD2-CD2 3.47Å; L316-L344 VanDerWaalsContact CD2-CD2 3.47Å; L319-L344 HydrophobicContact CD1-CB 4.05Å; L319-L344 HydrophobicContact CD1-CD1 4.46Å; L319-L344 HydrophobicContact CD1-CD2 3.88Å; L319-L344 HydrophobicContact CD1-CG 4.36Å; L344-L346 HydrophobicContact CD1-CD2 4.24Å; L344-L346 HydrophobicContact CD2-CD2 4.33Å; L344-L346 HydrophobicContact CG-CD2 4.3Å; L344-L359 HydrophobicContact CD2-CD2 3.75Å; L344-I493 PolarHBondContact N-O 3.14Å; L344-W494 HydrophobicContact CB-CG 4.3Å; L344-W494 CarbonylContact O-C 3.58Å; L344-W494 VanDerWaalsContact O-CA 3.32Å; L344-W494 WeakPolarHBondContact O-CA 3.49Å; L344-A495 PolarHBondContact O-N 3.44Å; L344-F552 VanDerWaalsContact C-CD1 3.47Å; L344-F552 WeakPolarHBondContact O-CE1 3.42Å; L344-I554 HydrophobicContact CD1-CB 4.12Å; L344-I554 HydrophobicContact CD1-CG2 4.11Å; L344-V556 HydrophobicContact CD1-CG2 3.93Å
345	L	93.7	Very high	75.5	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.6	169.2	178.9	68.7	0	0	0	110	V347 L444 A495 V497 I549 F552 I554 V555 V556	L345-V347 HydrophobicContact CD2-CG2 4.32Å; L345-V347 HydrophobicContact CG-CG2 4.4Å; L345-L444 HydrophobicContact CD1-CD1 3.77Å; L345-A495 WeakPolarHBondContact CA-O 2.7Å; L345-A495 HydrophobicContact CD1-CB 3.72Å; L345-V497 HydrophobicContact CD1-CB 4.3Å; L345-V497 HydrophobicContact CD1-CG1 4Å; L345-V497 HydrophobicContact CD2-CG1 4.1Å; L345-V497 HydrophobicContact CG-CG1 4.22Å; L345-I549 HydrophobicContact CD2-CB 4.31Å; L345-I549 HydrophobicContact CD2-CD1 4.41Å; L345-I549 HydrophobicContact CD2-CG1 3.67Å; L345-I549 HydrophobicContact CD2-CG2 4.36Å; L345-F552 HydrophobicContact CB-CB 4.06Å; L345-F552 HydrophobicContact CB-CD1 3.81Å; L345-F552 HydrophobicContact CB-CD2 3.93Å; L345-F552 HydrophobicContact CB-CE1 4.24Å; L345-F552 HydrophobicContact CB-CE2 4.34Å; L345-F552 HydrophobicContact CB-CG 3.67Å; L345-F552 HydrophobicContact CD1-CE2 4.28Å; L345-F552 HydrophobicContact CD1-CZ 4.47Å; L345-F552 HydrophobicContact CD2-CD2 4.12Å; L345-F552 HydrophobicContact CG-CD2 4.44Å; L345-I554 PolarHBondContact N-O 3.27Å; L345-V555 HydrophobicContact CB-CG2 4.09Å; L345-V555 HydrophobicContact CD2-CG1 4.41Å; L345-V555 HydrophobicContact CD2-CG2 4.14Å; L345-V555 CarbonylContact O-C 3.49Å; L345-V555 WeakPolarHBondContact O-CA 3.37Å; L345-V556 PolarHBondContact O-N 3.49Å
346	L	93.2	Very high	77.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.9	165.4	-58.2	-168.1	0	0	0	110.3	L312 L344 L359 A495 T496 V497 V556 T558	L312-L346 HydrophobicContact CD1-CD2 3.81Å; L312-L346 HydrophobicContact CD2-CD1 4.33Å; L312-L346 HydrophobicContact CD2-CD2 4.34Å; L344-L346 HydrophobicContact CD1-CD2 4.24Å; L344-L346 HydrophobicContact CD2-CD2 4.33Å; L344-L346 HydrophobicContact CG-CD2 4.3Å; L346-L359 HydrophobicContact CB-CD1 4.41Å; L346-L359 HydrophobicContact CD1-CD1 3.91Å; L346-L359 HydrophobicContact CD1-CD2 3.8Å; L346-L359 HydrophobicContact CD1-CG 3.53Å; L346-L359 HydrophobicContact CG-CD1 3.79Å; L346-L359 HydrophobicContact CG-CD2 4.09Å; L346-L359 HydrophobicContact CG-CG 3.96Å; L346-A495 PolarHBondContact N-O 3.4Å; L346-T496 HydrophobicContact CB-CG2 4.3Å; L346-T496 CarbonylContact O-C 3.47Å; L346-T496 VanDerWaalsContact O-CA 3.29Å; L346-T496 WeakPolarHBondContact O-CA 3.41Å; L346-V497 PolarHBondContact O-N 2.88Å; L346-V556 CarbonylContact C-O 3.58Å; L346-V556 WeakPolarHBondContact CA-O 3.32Å; L346-V556 HydrophobicContact CD2-CB 3.6Å; L346-V556 HydrophobicContact CD2-CG1 4.15Å; L346-V556 HydrophobicContact CD2-CG2 4.19Å; L346-T558 HydrophobicContact CB-CG2 3.94Å; L346-T558 HydrophobicContact CD1-CG2 4.04Å; L346-T558 HydrophobicContact CG-CG2 4.43Å
347	V	89.3	Confident	80.3	Confident	19 Å²	19	33.4 Å²	33.4	12%	0.115	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.4	173.7	-176.5	0	0	0	0	107	L345 V497 V499 V555 V556 N557 T558	L345-V347 HydrophobicContact CD2-CG2 4.32Å; L345-V347 HydrophobicContact CG-CG2 4.4Å; V347-V497 WeakPolarHBondContact CA-O 3.18Å; V347-V497 HydrophobicContact CB-CG1 4.2Å; V347-V497 HydrophobicContact CG1-CG1 4.2Å; V347-V497 HydrophobicContact CG2-CG1 3.74Å; V347-V499 HydrophobicContact CG1-CB 4.47Å; V347-V499 HydrophobicContact CG1-CG2 3.69Å; V347-V555 HydrophobicContact CG2-CG1 3.67Å; V347-V556 PolarHBondContact N-O 3.41Å; V347-N557 WeakPolarHBondContact O-CA 3.31Å; V347-N557 PolarHBondContact O-OD1 3.25Å; V347-T558 PolarHBondContact O-N 2.92Å; V347-T558 PolarHBondContact O-OG1 2.97Å
348	G	85.3	Confident	82.5	Confident	3 Å²	3	29.2 Å²	29.2	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	159.6	176.5	0	0	0	0	0	111.9	V497 E498 V499 T558	G348-V497 PolarHBondContact N-O 3.39Å; G348-E498 CarbonylContact O-C 3.31Å; G348-E498 WeakPolarHBondContact O-CA 3.34Å; G348-V499 PolarHBondContact O-N 2.7Å; G348-T558 WeakPolarHBondContact CA-OG1 3.44Å
349	S	81.3	Confident	84.4	Confident	31 Å²	31	27.3 Å²	27.3	22%	0.217	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	157.5	167.2	-86.6	0	0	0	0	111.5	G351 D352 E559	S349-G351 PolarHBondContact O-N 2.86Å; S349-D352 WeakPolarHBondContact O-CB 3.19Å; S349-D352 PolarHBondContact O-N 2.77Å; S349-E559 WeakPolarHBondContact CB-OE1 3.34Å; S349-E559 VanDerWaalsContact OG-CD 3.25Å; S349-E559 PolarHBondContact OG-OE1 3.14Å
350	L	76.1	Confident	85.9	Confident	117 Å²	117	26.4 Å²	26.4	61%	0.613	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	122.7	177.8	-171.7	76.7	0	0	0	111.3	V499	L350-V499 PolarHBondContact N-O 3.28Å
351	G	71.9	Confident	86.7	Confident	60 Å²	60	26 Å²	26	62%	0.619	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	4.2	-176.8	0	0	0	0	0	115.6	S349 S353 E498	S349-G351 PolarHBondContact O-N 2.86Å; G351-S353 PolarHBondContact O-N 3.02Å; G351-E498 PolarHBondContact N-OE2 3.17Å
352	D	76.1	Confident	87.2	Confident	32 Å²	32	25.7 Å²	25.7	17%	0.171	16%	0.158	C	C	.	.			trans	-69.7	93.4	173.4	-179	18.7	0	0	0	111.5	S349 L354 S355 T558	S349-D352 WeakPolarHBondContact O-CB 3.19Å; S349-D352 PolarHBondContact O-N 2.77Å; D352-L354 VanDerWaalsContact C-N 3.27Å; D352-L354 WeakPolarHBondContact OD1-CA 3.37Å; D352-L354 WeakPolarHBondContact OD1-CB 3.12Å; D352-L354 PolarHBondContact OD1-N 3.44Å; D352-S355 PolarHBondContact O-OG 2.98Å; D352-S355 VanDerWaalsContact O-OG 3.09Å; D352-S355 PolarHBondContact OD1-N 3.17Å; D352-S355 WeakPolarHBondContact OD2-CB 3.38Å; D352-T558 PolarHBondContact OD2-OG1 3.45Å
353	S	82.9	Confident	87.1	Confident	75 Å²	75	25.6 Å²	25.6	52%	0.524	16%	0.157	S	C	.	.	H	α-helix	trans	-74.8	-15.1	171.6	70.3	0	0	0	0	113.6	G351 N356 N357	G351-S353 PolarHBondContact O-N 3.02Å; S353-N356 PolarHBondContact O-N 3.22Å; S353-N357 WeakPolarHBondContact O-CB 3.48Å; S353-N357 PolarHBondContact O-N 3.27Å; S353-N357 PolarHBondContact O-ND2 3.13Å
354	L	85.9	Confident	86.8	Confident	35 Å²	35	31.2 Å²	31.2	18%	0.183	18%	0.183	C	C	.	.	H	α-helix	trans	-70.3	-43.5	-173.8	-171	65.6	0	0	0	111.3	V303 T304 F309 D352 N356 N357 L358 L572	V303-L354 HydrophobicContact CG1-CD1 4.41Å; T304-L354 HydrophobicContact CG2-CD1 3.72Å; T304-L354 HydrophobicContact CG2-CD2 4.35Å; T304-L354 HydrophobicContact CG2-CG 4.42Å; F309-L354 HydrophobicContact CE1-CD2 4.19Å; F309-L354 HydrophobicContact CE2-CD2 3.55Å; F309-L354 HydrophobicContact CZ-CD2 3.29Å; D352-L354 VanDerWaalsContact C-N 3.27Å; D352-L354 WeakPolarHBondContact OD1-CA 3.37Å; D352-L354 WeakPolarHBondContact OD1-CB 3.12Å; D352-L354 PolarHBondContact OD1-N 3.44Å; L354-N356 VanDerWaalsContact C-N 3.27Å; L354-N356 PolarHBondContact O-N 3.3Å; L354-N357 PolarHBondContact O-N 3.36Å; L354-N357 VanDerWaalsContact O-N 3.16Å; L354-L358 VanDerWaalsContact O-CB 3.31Å; L354-L358 WeakPolarHBondContact O-CB 3.37Å; L354-L358 PolarHBondContact O-N 3.3Å; L354-L572 HydrophobicContact CD2-CD1 4.43Å; L354-L572 HydrophobicContact CD2-CD2 4.31Å
355	S	86.7	Confident	86.3	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-50.2	-49.6	173.2	62.8	0	0	0	0	111.7	D352 L359	D352-S355 PolarHBondContact O-OG 2.98Å; D352-S355 VanDerWaalsContact O-OG 3.09Å; D352-S355 PolarHBondContact OD1-N 3.17Å; D352-S355 WeakPolarHBondContact OD2-CB 3.38Å; S355-L359 PolarHBondContact O-N 3.42Å; S355-L359 VanDerWaalsContact O-N 3.15Å
356	N	89.2	Confident	85.5	Confident	14 Å²	14	33 Å²	33	8%	0.075	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-44.3	178.4	-80.2	-66.1	0	0	0	112.3	S353 L354 R360 Y440 P442 N443 T496	S353-N356 PolarHBondContact O-N 3.22Å; L354-N356 VanDerWaalsContact C-N 3.27Å; L354-N356 PolarHBondContact O-N 3.3Å; N356-R360 WeakPolarHBondContact O-CB 3.36Å; N356-R360 PolarHBondContact O-N 3.12Å; N356-Y440 WeakPolarHBondContact CA-OH 3.33Å; N356-Y440 PolarHBondContact OD1-OH 2.93Å; N356-P442 WeakPolarHBondContact OD1-CB 3.47Å; N356-N443 PolarHBondContact ND2-OD1 2.81Å; N356-N443 PolarHBondContact OD1-OD1 2.93Å; N356-T496 PolarHBondContact OD1-OG1 3.18Å
357	N	89.7	Confident	84.7	Confident	69 Å²	69	39.8 Å²	39.8	37%	0.369	22%	0.221	S	C	.	.	H	α-helix	trans	-68	-39.2	-179.3	-69.4	-21.6	0	0	0	112.1	V303 S353 L354 A361	V303-N357 HydrophobicContact CG1-CB 4.18Å; S353-N357 WeakPolarHBondContact O-CB 3.48Å; S353-N357 PolarHBondContact O-N 3.27Å; S353-N357 PolarHBondContact O-ND2 3.13Å; L354-N357 PolarHBondContact O-N 3.36Å; L354-N357 VanDerWaalsContact O-N 3.16Å; N357-A361 VanDerWaalsContact O-CB 3.24Å; N357-A361 WeakPolarHBondContact O-CB 3.36Å; N357-A361 PolarHBondContact O-N 3.48Å
358	L	90.6	Very high	84.1	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-50.2	178.6	-166.8	83.1	0	0	0	111	L300 L312 L316 L354 A361 A362	L300-L358 HydrophobicContact CB-CD1 4.45Å; L300-L358 HydrophobicContact CD1-CD1 3.6Å; L300-L358 HydrophobicContact CD1-CG 3.94Å; L312-L358 HydrophobicContact CD2-CD2 3.37Å; L312-L358 HydrophobicContact CG-CD2 3.77Å; L316-L358 HydrophobicContact CD1-CD2 3.73Å; L316-L358 HydrophobicContact CD1-CG 3.95Å; L354-L358 VanDerWaalsContact O-CB 3.31Å; L354-L358 WeakPolarHBondContact O-CB 3.37Å; L354-L358 PolarHBondContact O-N 3.3Å; L358-A361 PolarHBondContact O-N 2.98Å; L358-A362 VanDerWaalsContact O-CB 3.26Å; L358-A362 WeakPolarHBondContact O-CB 3.41Å; L358-A362 PolarHBondContact O-N 3.47Å
359	L	92.1	Very high	84	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-38.8	177.4	-72.1	-170.4	0	0	0	112.6	L316 L344 L346 S355 G363 Y440 W494 A495 T496	L316-L359 HydrophobicContact CD2-CD2 3.51Å; L344-L359 HydrophobicContact CD2-CD2 3.75Å; L346-L359 HydrophobicContact CB-CD1 4.41Å; L346-L359 HydrophobicContact CD1-CD1 3.91Å; L346-L359 HydrophobicContact CD1-CD2 3.8Å; L346-L359 HydrophobicContact CD1-CG 3.53Å; L346-L359 HydrophobicContact CG-CD1 3.79Å; L346-L359 HydrophobicContact CG-CD2 4.09Å; L346-L359 HydrophobicContact CG-CG 3.96Å; S355-L359 PolarHBondContact O-N 3.42Å; S355-L359 VanDerWaalsContact O-N 3.15Å; L359-G363 PolarHBondContact O-N 2.97Å; L359-Y440 HydrophobicContact CB-CD2 4.33Å; L359-Y440 HydrophobicContact CB-CE2 3.74Å; L359-Y440 HydrophobicContact CD1-CD2 4.31Å; L359-Y440 HydrophobicContact CD1-CE2 3.63Å; L359-Y440 HydrophobicContact CG-CE2 4.35Å; L359-W494 HydrophobicContact CB-CE3 4.3Å; L359-W494 HydrophobicContact CD1-CB 4.28Å; L359-W494 HydrophobicContact CD2-CD2 4.29Å; L359-W494 HydrophobicContact CD2-CE3 3.87Å; L359-W494 HydrophobicContact CD2-CZ3 4.25Å; L359-A495 WeakPolarHBondContact CD1-O 3.47Å; L359-T496 HydrophobicContact CD1-CG2 3.78Å
360	R	91	Very high	84.1	Confident	64 Å²	64	40.7 Å²	40.7	24%	0.242	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-48.6	177.1	-170.8	177.3	-67.8	108	-2.7	111.1	N356 A362 G363 E364 F369 E371	N356-R360 WeakPolarHBondContact O-CB 3.36Å; N356-R360 PolarHBondContact O-N 3.12Å; R360-A362 PolarHBondContact O-N 3.48Å; R360-G363 PolarHBondContact O-N 3.12Å; R360-E364 WeakPolarHBondContact O-CG 3.35Å; R360-E364 PolarHBondContact O-N 3.38Å; R360-F369 HydrophobicContact CG-CE1 4.11Å; R360-F369 HydrophobicContact CG-CZ 4.29Å; R360-E371 IonicContact CZ-OE1 3.69Å; R360-E371 IonicContact CZ-OE2 3.01Å; R360-E371 IonicContact NE-OE1 3.9Å; R360-E371 IonicContact NE-OE2 2.94Å; R360-E371 PolarHBondContact NE-OE2 2.95Å; R360-E371 IonicContact NH2-OE1 3.63Å; R360-E371 PolarHBondContact NH2-OE1 3.31Å; R360-E371 IonicContact NH2-OE2 3.14Å; R360-E371 PolarHBondContact NH2-OE2 2.99Å
361	A	90.5	Very high	84.6	Confident	10 Å²	10	38.1 Å²	38.1	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-37.4	178.7	0	0	0	0	0	112.8	L300 V303 N357 L358 F365	L300-A361 HydrophobicContact CD2-CB 3.75Å; V303-A361 HydrophobicContact CG2-CB 3.43Å; V303-A361 VanDerWaalsContact CG2-CB 3.43Å; N357-A361 VanDerWaalsContact O-CB 3.24Å; N357-A361 WeakPolarHBondContact O-CB 3.36Å; N357-A361 PolarHBondContact O-N 3.48Å; L358-A361 PolarHBondContact O-N 2.98Å; A361-F365 WeakPolarHBondContact O-CD2 3.25Å
362	A	91.2	Very high	85.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-41.4	172.6	0	0	0	0	0	111.6	F299 L300 L316 L320 L358 R360 E364 F365 W494	F299-A362 HydrophobicContact CE1-CB 4.29Å; F299-A362 HydrophobicContact CZ-CB 4.27Å; L300-A362 HydrophobicContact CD1-CB 4.01Å; L316-A362 HydrophobicContact CD1-CB 4.09Å; L316-A362 HydrophobicContact CD2-CB 4.44Å; L320-A362 HydrophobicContact CD1-CB 4.45Å; L320-A362 WeakPolarHBondContact CD2-O 3.16Å; L358-A362 VanDerWaalsContact O-CB 3.26Å; L358-A362 WeakPolarHBondContact O-CB 3.41Å; L358-A362 PolarHBondContact O-N 3.47Å; R360-A362 PolarHBondContact O-N 3.48Å; A362-E364 PolarHBondContact O-N 3.45Å; A362-F365 WeakPolarHBondContact O-CD2 3.49Å; A362-F365 PolarHBondContact O-N 3.27Å; A362-W494 HydrophobicContact CB-CH2 3.9Å; A362-W494 HydrophobicContact CB-CZ3 3.68Å
363	G	87.4	Confident	85.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.2	-33.3	-177	0	0	0	0	0	113.3	L359 R360 F365 T366 F369	L359-G363 PolarHBondContact O-N 2.97Å; R360-G363 PolarHBondContact O-N 3.12Å; G363-F365 PolarHBondContact O-N 2.66Å; G363-F365 VanDerWaalsContact O-N 3.12Å; G363-T366 PolarHBondContact O-N 2.99Å; G363-T366 PolarHBondContact O-OG1 3.25Å; G363-F369 VanDerWaalsContact C-CD2 3.49Å; G363-F369 VanDerWaalsContact CA-CD2 3.43Å; G363-F369 WeakPolarHBondContact O-CB 3.09Å
364	E	84.5	Confident	84.6	Confident	119 Å²	119	37.8 Å²	37.8	56%	0.556	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.5	176.4	-79.6	176.9	-175.2	0	0	114.1	R360 A362 T366	R360-E364 WeakPolarHBondContact O-CG 3.35Å; R360-E364 PolarHBondContact O-N 3.38Å; A362-E364 PolarHBondContact O-N 3.45Å; E364-T366 VanDerWaalsContact C-N 3.26Å; E364-T366 PolarHBondContact O-N 3.48Å
365	F	83.5	Confident	83.6	Confident	26 Å²	26	38.9 Å²	38.9	11%	0.114	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.6	172.5	-69.6	-69	0	0	0	113.4	F299 L300 A361 A362 G363 M597 Y600 L604	F299-F365 HydrophobicContact CD2-CE2 4.44Å; F299-F365 AromaticContact CE2-CD2 3.8Å; F299-F365 HydrophobicContact CE2-CD2 3.8Å; F299-F365 AromaticContact CE2-CE2 3.48Å; F299-F365 HydrophobicContact CE2-CE2 3.48Å; F299-F365 VanDerWaalsContact CE2-CE2 3.48Å; F299-F365 HydrophobicContact CE2-CZ 4.19Å; F299-F365 AromaticContact CZ-CD2 3.94Å; F299-F365 HydrophobicContact CZ-CD2 3.94Å; F299-F365 AromaticContact CZ-CE2 3.93Å; F299-F365 HydrophobicContact CZ-CE2 3.93Å; L300-F365 HydrophobicContact CD2-CE2 3.8Å; A361-F365 WeakPolarHBondContact O-CD2 3.25Å; A362-F365 WeakPolarHBondContact O-CD2 3.49Å; A362-F365 PolarHBondContact O-N 3.27Å; G363-F365 PolarHBondContact O-N 2.66Å; G363-F365 VanDerWaalsContact O-N 3.12Å; F365-M597 HydrophobicContact CE1-SD 3.52Å; F365-M597 VanDerWaalsContact CE1-SD 3.52Å; F365-M597 HydrophobicContact CE2-CE 4.44Å; F365-M597 HydrophobicContact CE2-SD 4.27Å; F365-M597 HydrophobicContact CZ-CE 3.76Å; F365-M597 HydrophobicContact CZ-SD 3.31Å; F365-M597 WeakPolarHBondContact CZ-SD 3.32Å; F365-Y600 VanDerWaalsContact CE1-CB 3.43Å; F365-Y600 HydrophobicContact CE1-CG 4.33Å; F365-Y600 HydrophobicContact CZ-CD2 4.3Å; F365-Y600 HydrophobicContact CZ-CG 4.31Å; F365-L604 HydrophobicContact CB-CD1 3.51Å; F365-L604 HydrophobicContact CG-CD1 4.18Å
366	T	78	Confident	82.6	Confident	11 Å²	11	42.7 Å²	42.7	7%	0.067	22%	0.224	C	C	.	.	S	Bend	trans	-95.8	143.4	173.7	66.7	0	0	0	0	111.2	L320 G363 E364 I438	L320-T366 HydrophobicContact CD2-CG2 3.21Å; G363-T366 PolarHBondContact O-N 2.99Å; G363-T366 PolarHBondContact O-OG1 3.25Å; E364-T366 VanDerWaalsContact C-N 3.26Å; E364-T366 PolarHBondContact O-N 3.48Å; T366-I438 HydrophobicContact CG2-CD1 3.56Å; T366-I438 HydrophobicContact CG2-CG1 4.07Å; T366-I438 WeakPolarHBondContact OG1-CD1 3.35Å
367	K	74.8	Confident	81.2	Confident	144 Å²	144	46.4 Å²	46.4	63%	0.626	25%	0.251	S	S	*	.	S	Bend	trans	-130.7	116	174.4	-62	-178.1	-176.7	173.3	0	108
368	P	77.7	Confident	80	Confident	31 Å²	31	45.6 Å²	45.6	20%	0.201	25%	0.245	C	C	.	.	S	Bend	cis	-81.9	144.7	7.9	32.9	-35.7	0	0	0	114.5	G437 I438	P368-G437 WeakPolarHBondContact O-CA 3.46Å; P368-I438 PolarHBondContact O-N 3.39Å
369	F	82.8	Confident	79.1	Confident	28 Å²	28	47 Å²	47	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.3	163.6	175.1	-103.2	0	0	0	109.3	R360 G363 I438 Y440	R360-F369 HydrophobicContact CG-CE1 4.11Å; R360-F369 HydrophobicContact CG-CZ 4.29Å; G363-F369 VanDerWaalsContact C-CD2 3.49Å; G363-F369 VanDerWaalsContact CA-CD2 3.43Å; G363-F369 WeakPolarHBondContact O-CB 3.09Å; F369-I438 HydrophobicContact CD2-CB 4.03Å; F369-I438 HydrophobicContact CD2-CG2 3.98Å; F369-I438 HydrophobicContact CE2-CG2 4.08Å; F369-Y440 HydrophobicContact CE2-CD1 4.47Å; F369-Y440 HydrophobicContact CE2-CG 4.05Å; F369-Y440 AromaticContact CZ-CD1 3.77Å; F369-Y440 HydrophobicContact CZ-CD1 3.77Å; F369-Y440 AromaticContact CZ-CG 3.81Å; F369-Y440 HydrophobicContact CZ-CG 3.81Å
370	C	83.4	Confident	78	Confident	12 Å²	12	47 Å²	47	8%	0.081	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.4	-175.5	-65.7	0	0	0	0	111.5	T430 A434 I438 Y440	C370-T430 HydrophobicContact CB-CG2 3.94Å; C370-A434 HydrophobicContact CB-CB 4Å; C370-I438 PolarHBondContact N-O 2.93Å; C370-Y440 PolarHBondContact O-N 2.85Å
371	E	86.2	Confident	77	Confident	64 Å²	64	44.1 Å²	44.1	30%	0.299	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.6	174.9	-178	169.6	164.7	0	0	111.3	R360 Y440 P442	R360-E371 IonicContact CZ-OE1 3.69Å; R360-E371 IonicContact CZ-OE2 3.01Å; R360-E371 IonicContact NE-OE1 3.9Å; R360-E371 IonicContact NE-OE2 2.94Å; R360-E371 PolarHBondContact NE-OE2 2.95Å; R360-E371 IonicContact NH2-OE1 3.63Å; R360-E371 PolarHBondContact NH2-OE1 3.31Å; R360-E371 IonicContact NH2-OE2 3.14Å; R360-E371 PolarHBondContact NH2-OE2 2.99Å; E371-Y440 CarbonylContact C-O 3.55Å; E371-Y440 WeakPolarHBondContact CA-O 3.31Å; E371-Y440 HydrophobicContact CB-CD1 4.2Å; E371-Y440 HydrophobicContact CG-CD1 3.79Å; E371-Y440 HydrophobicContact CG-CE1 4.37Å; E371-P442 HydrophobicContact CG-CG 4.02Å
372	Y	84.3	Confident	75.8	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.008	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-73.9	124.4	169.3	-170.6	-83	0	0	0	109.4	M378 P380 T430 Y440 F441 P442 Y447	Y372-M378 WeakPolarHBondContact CE2-O 3.41Å; Y372-M378 PolarHBondContact OH-O 2.99Å; Y372-P380 HydrophobicContact CE2-CG 4.09Å; Y372-T430 HydrophobicContact CD2-CG2 4.43Å; Y372-T430 WeakPolarHBondContact CD2-OG1 3.19Å; Y372-Y440 PolarHBondContact N-O 2.82Å; Y372-F441 VanDerWaalsContact CB-CD1 3.42Å; Y372-F441 HydrophobicContact CD1-CD1 4.3Å; Y372-F441 HydrophobicContact CD2-CD1 4.19Å; Y372-F441 AromaticContact CD2-CE1 3.66Å; Y372-F441 HydrophobicContact CD2-CE1 3.66Å; Y372-F441 AromaticContact CG-CD1 3.73Å; Y372-F441 HydrophobicContact CG-CD1 3.73Å; Y372-F441 AromaticContact CG-CE1 3.69Å; Y372-F441 HydrophobicContact CG-CE1 3.69Å; Y372-P442 VanDerWaalsContact O-CD 3.31Å; Y372-P442 WeakPolarHBondContact O-CD 3.47Å; Y372-Y447 HydrophobicContact CD1-CD1 4.24Å; Y372-Y447 AromaticContact CD1-CE1 3.19Å; Y372-Y447 HydrophobicContact CD1-CE1 3.19Å; Y372-Y447 AromaticContact CD1-CZ 3.41Å; Y372-Y447 VanDerWaalsContact CD1-CZ 3.41Å; Y372-Y447 WeakPolarHBondContact CD1-OH 3.32Å; Y372-Y447 AromaticContact CE1-CD1 3.96Å; Y372-Y447 HydrophobicContact CE1-CD1 3.96Å; Y372-Y447 AromaticContact CE1-CE1 3.34Å; Y372-Y447 HydrophobicContact CE1-CE1 3.34Å; Y372-Y447 AromaticContact CE1-CZ 3.93Å; Y372-Y447 HydrophobicContact CG-CE1 4.02Å; Y372-Y447 PolarHBondContact O-OH 3.26Å
373	K	77.2	Confident	74.5	Confident	100 Å²	100	45 Å²	45	44%	0.435	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-101	127.4	171.5	-56.1	-176.7	177.9	-174.8	0	109.8	G375 I376	K373-G375 PolarHBondContact O-N 2.83Å; K373-I376 HydrophobicContact CB-CD1 3.54Å; K373-I376 HydrophobicContact CB-CG1 3.93Å; K373-I376 HydrophobicContact CD-CD1 4.08Å; K373-I376 HydrophobicContact CG-CD1 4.13Å; K373-I376 WeakPolarHBondContact O-CG1 3.39Å; K373-I376 PolarHBondContact O-N 2.94Å
374	P	70	Confident	73.3	Confident	58 Å²	58	48.9 Å²	48.9	38%	0.377	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	139.3	180	23.7	-32.6	0	0	0	111.2	I376 Y447	P374-I376 PolarHBondContact O-N 3.42Å; P374-Y447 HydrophobicContact CB-CD2 4.34Å; P374-Y447 HydrophobicContact CB-CE2 4.18Å
375	G	64.3	Low	72.2	Confident	58 Å²	58	45.5 Å²	45.5	60%	0.598	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	0.6	177.8	0	0	0	0	0	116.2	K373	K373-G375 PolarHBondContact O-N 2.83Å
376	I	66.1	Low	71	Confident	83 Å²	83	46.7 Å²	46.7	43%	0.426	26%	0.258	S	S	.	.			trans	-72.2	149.1	169.5	-62.1	-169	0	0	0	109.8	K373 P374 M378	K373-I376 HydrophobicContact CB-CD1 3.54Å; K373-I376 HydrophobicContact CB-CG1 3.93Å; K373-I376 HydrophobicContact CD-CD1 4.08Å; K373-I376 HydrophobicContact CG-CD1 4.13Å; K373-I376 WeakPolarHBondContact O-CG1 3.39Å; K373-I376 PolarHBondContact O-N 2.94Å; P374-I376 PolarHBondContact O-N 3.42Å; I376-M378 HydrophobicContact CG2-CB 4.04Å; I376-M378 PolarHBondContact O-N 2.92Å; I376-M378 VanDerWaalsContact O-N 3.13Å
377	S	60	Low	69.9	Low	91 Å²	91	55.4 Å²	55.4	64%	0.636	30%	0.304	S	S	*	.	S	Bend	trans	-58	-24	176.6	-179.7	0	0	0	0	113.3	K396	S377-K396 PolarHBondContact O-NZ 2.72Å; S377-K396 PolarHBondContact OG-NZ 3.48Å
378	M	65.5	Low	68.8	Low	53 Å²	53	53 Å²	53	26%	0.261	31%	0.305	S	S	.	.			trans	-73	130.4	-178	-162.4	161.5	83.6	0	0	109.8	Y372 I376 T430 L433	Y372-M378 WeakPolarHBondContact CE2-O 3.41Å; Y372-M378 PolarHBondContact OH-O 2.99Å; I376-M378 HydrophobicContact CG2-CB 4.04Å; I376-M378 PolarHBondContact O-N 2.92Å; I376-M378 VanDerWaalsContact O-N 3.13Å; M378-T430 HydrophobicContact CE-CG2 4.44Å; M378-T430 WeakPolarHBondContact CE-OG1 3.48Å; M378-L433 HydrophobicContact CE-CD1 3.46Å; M378-L433 VanDerWaalsContact CE-CD1 3.46Å; M378-L433 HydrophobicContact SD-CD1 3.49Å; M378-L433 WeakPolarHBondContact SD-CD1 3.48Å
379	L	70	Confident	67.8	Low	32 Å²	32	53.8 Å²	53.8	17%	0.168	32%	0.319	C	S	.	.			trans	-85.3	160.9	175.8	-70.3	-176.4	0	0	0	110.1	T381 E384 N394 G429 T430	L379-T381 WeakPolarHBondContact CB-O 3.21Å; L379-T381 PolarHBondContact O-N 3.41Å; L379-E384 HydrophobicContact CD1-CG 3.41Å; L379-E384 VanDerWaalsContact CD1-CG 3.41Å; L379-E384 VanDerWaalsContact CD1-OE1 3.26Å; L379-E384 WeakPolarHBondContact CD1-OE1 3.39Å; L379-N394 VanDerWaalsContact CD1-ND2 3.28Å; L379-N394 WeakPolarHBondContact CD1-ND2 2.76Å; L379-N394 WeakPolarHBondContact CG-ND2 3.4Å; L379-G429 WeakPolarHBondContact O-CA 3.4Å; L379-T430 PolarHBondContact O-N 3.09Å
380	P	69.9	Low	66.4	Low	0 Å²	0	55 Å²	55	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-53.3	-39.6	172.8	-27.7	36.3	0	0	0	112.3	Y372 G429 T430 I431 F441	Y372-P380 HydrophobicContact CE2-CG 4.09Å; P380-G429 CarbonylContact O-C 3.4Å; P380-T430 PolarHBondContact O-N 3.07Å; P380-T430 VanDerWaalsContact O-N 3.09Å; P380-I431 HydrophobicContact CB-CD1 4.17Å; P380-I431 WeakPolarHBondContact O-CB 3.18Å; P380-I431 WeakPolarHBondContact O-CD1 3.43Å; P380-I431 WeakPolarHBondContact O-CG1 3.22Å; P380-I431 PolarHBondContact O-N 2.71Å; P380-F441 HydrophobicContact CB-CE1 3.87Å; P380-F441 HydrophobicContact CB-CZ 4.04Å; P380-F441 HydrophobicContact CG-CE1 4.15Å
381	T	69.7	Low	65.1	Low	4 Å²	4	58.5 Å²	58.5	3%	0.025	34%	0.344	C	S	.	.	S	Bend	trans	-125.4	154.2	-178.1	-46.3	0	0	0	0	110.3	L379 L383 E432 A458	L379-T381 WeakPolarHBondContact CB-O 3.21Å; L379-T381 PolarHBondContact O-N 3.41Å; T381-L383 HydrophobicContact CG2-CB 4.11Å; T381-L383 PolarHBondContact O-N 3.15Å; T381-E432 WeakPolarHBondContact CA-OE2 3.42Å; T381-E432 WeakPolarHBondContact CG2-OE1 3.25Å; T381-A458 WeakPolarHBondContact OG1-CB 3.38Å
382	S	65.4	Low	63.8	Low	3 Å²	3	58.5 Å²	58.5	2%	0.021	34%	0.343	C	S	.	.	S	Bend	trans	-67.7	-10.1	170.1	65.2	0	0	0	0	113.2	N394 M427 E432	S382-N394 WeakPolarHBondContact O-CA 3.38Å; S382-N394 WeakPolarHBondContact O-CB 3.31Å; S382-N394 PolarHBondContact O-N 3.48Å; S382-M427 WeakPolarHBondContact CA-O 3.39Å; S382-M427 WeakPolarHBondContact CB-O 3.31Å; S382-E432 VanDerWaalsContact CB-OE1 3.24Å; S382-E432 WeakPolarHBondContact CB-OE1 3.35Å; S382-E432 VanDerWaalsContact N-CD 3.29Å; S382-E432 PolarHBondContact N-OE1 3.1Å; S382-E432 PolarHBondContact N-OE2 2.79Å; S382-E432 VanDerWaalsContact N-OE2 3.11Å; S382-E432 PolarHBondContact OG-OE1 2.88Å
383	L	64.4	Low	62.4	Low	26 Å²	26	59 Å²	59	14%	0.136	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.5	177.7	-62.8	171.4	0	0	0	110.2	T381 K392 Y457 F468	T381-L383 HydrophobicContact CG2-CB 4.11Å; T381-L383 PolarHBondContact O-N 3.15Å; L383-K392 CarbonylContact C-O 3.49Å; L383-Y457 HydrophobicContact CD1-CE1 4.49Å; L383-F468 HydrophobicContact CD2-CE1 4.06Å; L383-F468 HydrophobicContact CD2-CZ 4.05Å
384	E	61.1	Low	61.5	Low	82 Å²	82	54.5 Å²	54.5	38%	0.383	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.1	165.2	-68.1	-171.6	-175.9	0	0	109.2	L379 K392 N394	L379-E384 HydrophobicContact CD1-CG 3.41Å; L379-E384 VanDerWaalsContact CD1-CG 3.41Å; L379-E384 VanDerWaalsContact CD1-OE1 3.26Å; L379-E384 WeakPolarHBondContact CD1-OE1 3.39Å; E384-K392 PolarHBondContact N-O 2.95Å; E384-K392 PolarHBondContact O-N 3.24Å; E384-N394 HydrophobicContact CG-CB 4.24Å
385	V	61.4	Low	60.7	Low	47 Å²	47	54.7 Å²	54.7	29%	0.285	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.6	172.2	-175.7	0	0	0	0	107.6	Y457	V385-Y457 HydrophobicContact CG2-CD1 3.8Å; V385-Y457 HydrophobicContact CG2-CD2 3.51Å; V385-Y457 HydrophobicContact CG2-CE1 4.24Å; V385-Y457 HydrophobicContact CG2-CE2 3.95Å; V385-Y457 HydrophobicContact CG2-CG 3.42Å; V385-Y457 VanDerWaalsContact CG2-CG 3.42Å
386	D	58.3	Low	60.1	Low	51 Å²	51	54.4 Å²	54.4	27%	0.273	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-69.9	165	173	-93.1	5.8	0	0	0	111.7	S388 G389 S390 K392	D386-S388 PolarHBondContact O-N 3.46Å; D386-G389 PolarHBondContact O-N 2.85Å; D386-S390 WeakPolarHBondContact CB-O 3.19Å; D386-S390 PolarHBondContact N-O 3.5Å; D386-K392 VanDerWaalsContact CG-CD 3.48Å; D386-K392 WeakPolarHBondContact OD1-CD 3.49Å; D386-K392 IonicContact OD1-NZ 3.98Å; D386-K392 WeakPolarHBondContact OD2-CD 3.45Å; D386-K392 WeakPolarHBondContact OD2-CE 3.26Å; D386-K392 IonicContact OD2-NZ 3.01Å; D386-K392 PolarHBondContact OD2-NZ 2.92Å
387	L	55.1	Low	58.7	Low	194 Å²	194	52 Å²	52	100%	1.016	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.2	175.7	-67.4	165.9	0	0	0	113.5	G389	L387-G389 VanDerWaalsContact C-N 3.34Å
388	S	51.3	Low	57.8	Low	94 Å²	94	50.6 Å²	50.6	66%	0.657	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.5	174.2	49.6	0	0	0	0	114	D386 S390	D386-S388 PolarHBondContact O-N 3.46Å; S388-S390 PolarHBondContact O-N 3.4Å; S388-S390 PolarHBondContact OG-N 2.98Å; S388-S390 PolarHBondContact OG-OG 3.5Å
389	G	57.2	Low	56.2	Low	47 Å²	47	54.6 Å²	54.6	49%	0.485	30%	0.295	S	S	.	.	S	Bend	trans	77.5	-0.4	-168.9	0	0	0	0	0	114	D386 L387	D386-G389 PolarHBondContact O-N 2.85Å; L387-G389 VanDerWaalsContact C-N 3.34Å
390	S	53.3	Low	54.5	Low	54 Å²	54	62.1 Å²	62.1	38%	0.378	33%	0.327	S	S	.	.			trans	-74.3	136.4	177.8	60.6	0	0	0	0	111.4	D386 S388	D386-S390 WeakPolarHBondContact CB-O 3.19Å; D386-S390 PolarHBondContact N-O 3.5Å; S388-S390 PolarHBondContact O-N 3.4Å; S388-S390 PolarHBondContact OG-N 2.98Å; S388-S390 PolarHBondContact OG-OG 3.5Å
391	K	57.1	Low	52.5	Low	85 Å²	85	67.2 Å²	67.2	37%	0.37	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	127.1	-178.1	-54.7	173.7	-164.3	-175.3	0	109.1	Y457 D466	K391-Y457 WeakPolarHBondContact CD-OH 3.38Å; K391-Y457 WeakPolarHBondContact CE-OH 3.42Å; K391-D466 IonicContact NZ-OD1 3.78Å; K391-D466 PolarHBondContact NZ-OD1 3.21Å; K391-D466 IonicContact NZ-OD2 3.94Å; K391-D466 PolarHBondContact NZ-OD2 3.02Å
392	K	57.3	Low	50.7	Low	64 Å²	64	74.6 Å²	74.6	28%	0.278	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.2	168.6	-60.2	-169.1	161.6	169.5	0	108.2	L383 E384 D386 N394 Y471	L383-K392 CarbonylContact C-O 3.49Å; E384-K392 PolarHBondContact N-O 2.95Å; E384-K392 PolarHBondContact O-N 3.24Å; D386-K392 VanDerWaalsContact CG-CD 3.48Å; D386-K392 WeakPolarHBondContact OD1-CD 3.49Å; D386-K392 IonicContact OD1-NZ 3.98Å; D386-K392 WeakPolarHBondContact OD2-CD 3.45Å; D386-K392 WeakPolarHBondContact OD2-CE 3.26Å; D386-K392 IonicContact OD2-NZ 3.01Å; D386-K392 PolarHBondContact OD2-NZ 2.92Å; K392-N394 PolarHBondContact O-N 2.8Å; K392-Y471 HydrophobicContact CB-CE2 4.18Å; K392-Y471 HydrophobicContact CD-CE2 4.34Å; K392-Y471 WeakPolarHBondContact CD-OH 3.49Å; K392-Y471 WeakPolarHBondContact CE-OH 3.47Å; K392-Y471 HydrophobicContact CG-CE2 3.75Å; K392-Y471 WeakPolarHBondContact CG-OH 3.38Å
393	P	56.3	Low	49	Very low	12 Å²	12	84.4 Å²	84.4	8%	0.078	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	142.7	168.9	18.9	-21.2	0	0	0	108.7	L395 V426 F468	P393-L395 HydrophobicContact CB-CD2 4.04Å; P393-L395 HydrophobicContact CB-CG 4.11Å; P393-L395 HydrophobicContact CG-CD1 4.19Å; P393-L395 HydrophobicContact CG-CD2 4.01Å; P393-L395 HydrophobicContact CG-CG 3.87Å; P393-L395 PolarHBondContact O-N 3.13Å; P393-V426 HydrophobicContact CB-CG1 4.2Å; P393-V426 HydrophobicContact CB-CG2 3.95Å; P393-F468 HydrophobicContact CB-CE1 3.89Å; P393-F468 HydrophobicContact CB-CZ 4.05Å; P393-F468 HydrophobicContact CG-CE1 3.77Å; P393-F468 HydrophobicContact CG-CZ 4.36Å
394	N	58.3	Low	47.6	Very low	7 Å²	7	91.8 Å²	91.8	4%	0.037	47%	0.467	C	S	.	.			trans	-68.9	76.5	169.8	-172.9	-12.8	0	0	0	107.6	L379 S382 E384 K392 K396	L379-N394 VanDerWaalsContact CD1-ND2 3.28Å; L379-N394 WeakPolarHBondContact CD1-ND2 2.76Å; L379-N394 WeakPolarHBondContact CG-ND2 3.4Å; S382-N394 WeakPolarHBondContact O-CA 3.38Å; S382-N394 WeakPolarHBondContact O-CB 3.31Å; S382-N394 PolarHBondContact O-N 3.48Å; E384-N394 HydrophobicContact CG-CB 4.24Å; K392-N394 PolarHBondContact O-N 2.8Å; N394-K396 VanDerWaalsContact C-N 3.31Å; N394-K396 PolarHBondContact O-N 3.38Å; N394-K396 WeakPolarHBondContact OD1-CG 3.33Å
395	L	52.2	Low	46.2	Very low	62 Å²	62	96.4 Å²	96.4	33%	0.325	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	93.9	176.2	-67.1	-178.9	0	0	0	106.6	P393 C397 H424 V426	P393-L395 HydrophobicContact CB-CD2 4.04Å; P393-L395 HydrophobicContact CB-CG 4.11Å; P393-L395 HydrophobicContact CG-CD1 4.19Å; P393-L395 HydrophobicContact CG-CD2 4.01Å; P393-L395 HydrophobicContact CG-CG 3.87Å; P393-L395 PolarHBondContact O-N 3.13Å; L395-C397 PolarHBondContact O-N 3.13Å; L395-H424 HydrophobicContact CD1-CB 4.47Å; L395-H424 HydrophobicContact CD2-CB 3.99Å; L395-V426 HydrophobicContact CD2-CG2 3.87Å
396	K	52.9	Low	44.7	Very low	51 Å²	51	101.3 Å²	101.3	22%	0.222	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	109.3	159.8	-66.2	-170.8	-173.5	172.7	0	106.9	S377 N394 L398 T425 M427	S377-K396 PolarHBondContact O-NZ 2.72Å; S377-K396 PolarHBondContact OG-NZ 3.48Å; N394-K396 VanDerWaalsContact C-N 3.31Å; N394-K396 PolarHBondContact O-N 3.38Å; N394-K396 WeakPolarHBondContact OD1-CG 3.33Å; K396-L398 PolarHBondContact O-N 3.49Å; K396-T425 PolarHBondContact O-OG1 3.03Å; K396-M427 HydrophobicContact CB-CG 3.98Å; K396-M427 HydrophobicContact CD-CG 4.24Å; K396-M427 HydrophobicContact CG-CG 4.34Å
397	C	36.5	Very low	43.5	Very low	32 Å²	32	105.6 Å²	105.6	22%	0.216	54%	0.542	C	S	.	.			trans	-52.8	125.7	150.8	-74.9	0	0	0	0	107.7	L395 W399	L395-C397 PolarHBondContact O-N 3.13Å; C397-W399 VanDerWaalsContact CB-CD1 3.43Å; C397-W399 HydrophobicContact CB-CD2 4.13Å; C397-W399 HydrophobicContact CB-CG 3.9Å; C397-W399 VanDerWaalsContact CB-NE1 3.32Å; C397-W399 VanDerWaalsContact CB-O 3.29Å; C397-W399 WeakPolarHBondContact CB-O 3.06Å; C397-W399 PolarHBondContact O-N 3.47Å; C397-W399 PolarHBondContact SG-NE1 3.2Å
398	L	40.4	Very low	42.5	Very low	62 Å²	62	103.3 Å²	103.3	33%	0.325	53%	0.53	S	S	.	.	S	Bend	trans	-51.6	-17	166.6	-87.6	155.6	0	0	0	111.9	K396 L415 T425	K396-L398 PolarHBondContact O-N 3.49Å; L398-L415 HydrophobicContact CD2-CB 4.22Å; L398-L415 HydrophobicContact CD2-CD2 3.75Å; L398-L415 HydrophobicContact CD2-CG 4.45Å; L398-T425 HydrophobicContact CD1-CG2 4.29Å
399	W	33.3	Very low	41.4	Very low	137 Å²	137	107.1 Å²	107.1	52%	0.519	54%	0.537	S	S	.	.			trans	-109	111.7	177	62.9	-77.7	0	0	0	111.2	C397	C397-W399 VanDerWaalsContact CB-CD1 3.43Å; C397-W399 HydrophobicContact CB-CD2 4.13Å; C397-W399 HydrophobicContact CB-CG 3.9Å; C397-W399 VanDerWaalsContact CB-NE1 3.32Å; C397-W399 VanDerWaalsContact CB-O 3.29Å; C397-W399 WeakPolarHBondContact CB-O 3.06Å; C397-W399 PolarHBondContact O-N 3.47Å; C397-W399 PolarHBondContact SG-NE1 3.2Å
400	K	32.9	Very low	40.1	Very low	191 Å²	191	111.5 Å²	111.5	83%	0.83	55%	0.554	S	S	*	*			trans	-117.6	97.2	150.2	-86.8	-173.8	178.8	176.3	0	108	M402	K400-M402 PolarHBondContact O-N 3.31Å
401	T	27.7	Very low	38.9	Very low	106 Å²	106	119.2 Å²	119.2	65%	0.65	58%	0.581	S	S	*	*			trans	-77.3	95.8	162.7	29.8	0	0	0	0	108.5
402	M	32.5	Very low	37.6	Very low	160 Å²	160	119.5 Å²	119.5	79%	0.788	59%	0.594	S	S	*	*			trans	-90.3	112.1	157.8	-110	-157.8	-177.3	0	0	108.3	K400 K404	K400-M402 PolarHBondContact O-N 3.31Å; M402-K404 PolarHBondContact O-N 3.26Å
403	K	29.1	Very low	36.3	Very low	209 Å²	209	123.7 Å²	123.7	91%	0.909	62%	0.618	S	S	*	*			trans	-61.9	91.9	155.7	-80.1	179.7	175	176.6	0	107.6
404	K	34.7	Very low	35.1	Very low	180 Å²	180	129 Å²	129	78%	0.783	64%	0.641	S	S	*	*			trans	-95.6	101.1	155.6	-90.3	-173.3	175	-177.3	0	107.7	M402 N406	M402-K404 PolarHBondContact O-N 3.26Å; K404-N406 PolarHBondContact O-N 2.99Å
405	Q	32.4	Very low	34.2	Very low	180 Å²	180	133.6 Å²	133.6	84%	0.841	67%	0.665	S	S	*	*			trans	-57.7	129.9	158.7	-76.8	173.3	-25.4	0	0	108.1
406	N	30.2	Very low	33.5	Very low	149 Å²	149	138 Å²	138	80%	0.797	69%	0.689	S	S	*	*	S	Bend	trans	47.5	98.7	156.3	-62	-9.3	0	0	0	117.3	K404	K404-N406 PolarHBondContact O-N 2.99Å
407	T	34.1	Very low	32.5	Very low	142 Å²	142	141 Å²	141	87%	0.871	70%	0.702	S	S	*	*				-177.1	152.6	115.9	32.7	0	0	0	0	110.2
408	L	32.6	Very low	32.5	Very low	146 Å²	146	144.1 Å²	144.1	76%	0.764	72%	0.716	S	S	*	*			trans	-60.2	147.7	-162.6	-73.6	88.9	0	0	0	115.2
409	Q	28.2	Very low	32.3	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	72%	0.722	S	S	*	*			trans	65	87.6	149.1	-68.5	170.5	10.1	0	0	117.9
410	T	30.1	Very low	32.4	Very low	138 Å²	138	144 Å²	144	85%	0.847	74%	0.736	S	S	*	*			trans	-160.2	115.3	139.8	-1.4	0	0	0	0	109.3	S412	T410-S412 VanDerWaalsContact C-N 3.34Å; T410-S412 PolarHBondContact O-N 3.28Å
411	K	27.5	Very low	32.8	Very low	217 Å²	217	140.6 Å²	140.6	94%	0.943	73%	0.727	S	S	*	*			trans	-70.7	85.4	178.1	-73	177.6	176.3	175.9	0	109.6
412	S	30.2	Very low	33.8	Very low	91 Å²	91	142.7 Å²	142.7	64%	0.636	73%	0.729	S	S	*	*			trans	-78	126.4	163.6	52.7	0	0	0	0	109.1	T410 E414	T410-S412 VanDerWaalsContact C-N 3.34Å; T410-S412 PolarHBondContact O-N 3.28Å; S412-E414 PolarHBondContact O-N 3.35Å
413	I	31.4	Very low	35	Very low	152 Å²	152	137.5 Å²	137.5	78%	0.779	70%	0.703	S	S	*	*			trans	-65.8	99.1	175	-61.4	168.4	0	0	0	107.6
414	E	31	Very low	36.7	Very low	123 Å²	123	130.7 Å²	130.7	58%	0.575	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-75.7	126.5	171.4	-69.9	-171.6	168.8	0	0	108.8	S412 D416 K417	S412-E414 PolarHBondContact O-N 3.35Å; E414-D416 PolarHBondContact O-N 2.87Å; E414-K417 IonicContact OE2-NZ 2.73Å; E414-K417 PolarHBondContact OE2-NZ 3.5Å
415	L	39.3	Very low	38.3	Very low	103 Å²	103	122.4 Å²	122.4	54%	0.539	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-64.1	127.8	165.2	-88.8	132.8	0	0	0	108.5	L398 K417	L398-L415 HydrophobicContact CD2-CB 4.22Å; L398-L415 HydrophobicContact CD2-CD2 3.75Å; L398-L415 HydrophobicContact CD2-CG 4.45Å; L415-K417 PolarHBondContact O-N 3.47Å
416	D	37.3	Very low	40.3	Very low	155 Å²	155	114.2 Å²	114.2	83%	0.829	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-64.6	128.2	-164.2	-130.6	-12.1	0	0	0	111.9	E414	E414-D416 PolarHBondContact O-N 2.87Å
417	K	31.4	Very low	42.6	Very low	113 Å²	113	109 Å²	109	49%	0.491	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-65.2	127.8	176.1	-63.5	155.1	-173.4	150	0	107.2	E414 L415	E414-K417 IonicContact OE2-NZ 2.73Å; E414-K417 PolarHBondContact OE2-NZ 3.5Å; L415-K417 PolarHBondContact O-N 3.47Å
418	L	35.7	Very low	44.6	Very low	98 Å²	98	102.4 Å²	102.4	51%	0.513	53%	0.532	S	S	.	.			trans	149.8	71.4	154.6	-77.1	151.8	0	0	0	111.9
419	C	36.5	Very low	46.8	Very low	67 Å²	67	95.5 Å²	95.5	45%	0.453	50%	0.496	S	S	.	.			trans	-129.9	128.9	152.4	-80.1	0	0	0	0	106.7	N421	C419-N421 VanDerWaalsContact C-N 3.3Å; C419-N421 PolarHBondContact O-N 2.93Å
420	T	35.2	Very low	49.3	Very low	131 Å²	131	87.2 Å²	87.2	80%	0.804	46%	0.457	S	S	*	.	S	Bend	trans	-84.6	6.9	-165.8	41.6	0	0	0	0	114.9
421	N	42	Very low	51.8	Low	118 Å²	118	80.7 Å²	80.7	63%	0.631	42%	0.417	S	S	*	.	S	Bend	trans	-130.4	145.1	176.2	-63.2	-16.7	0	0	0	108.5	C419 E423	C419-N421 VanDerWaalsContact C-N 3.3Å; C419-N421 PolarHBondContact O-N 2.93Å; N421-E423 PolarHBondContact O-N 3.33Å
422	E	48.9	Very low	54.3	Low	151 Å²	151	70.6 Å²	70.6	71%	0.706	37%	0.373	S	S	*	.			trans	-65.9	60.1	179	-61.7	-179.5	158	0	0	112.2	H424	E422-H424 PolarHBondContact O-N 3.39Å
423	E	57	Low	56.7	Low	50 Å²	50	66.4 Å²	66.4	23%	0.234	34%	0.344	C	S	.	.			trans	-74.1	100.3	176.9	-71.9	-179.4	-176.1	0	0	108.8	K217 N421 T425	K217-E423 IonicContact NZ-OE2 2.74Å; K217-E423 PolarHBondContact NZ-OE2 3.27Å; N421-E423 PolarHBondContact O-N 3.33Å; E423-T425 PolarHBondContact O-N 3.11Å
424	H	64	Low	59	Low	66 Å²	66	59.2 Å²	59.2	31%	0.306	31%	0.307	S	S	.	.			trans	-70	121.4	170.8	-70.9	-66.1	0	0	0	110.1	L395 E422	L395-H424 HydrophobicContact CD1-CB 4.47Å; L395-H424 HydrophobicContact CD2-CB 3.99Å; E422-H424 PolarHBondContact O-N 3.39Å
425	T	69.9	Low	61.3	Low	7 Å²	7	53.7 Å²	53.7	4%	0.043	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.6	172.6	48.3	0	0	0	0	109.4	T134 K396 L398 E423	T134-T425 HydrophobicContact CG2-CG2 3.52Å; K396-T425 PolarHBondContact O-OG1 3.03Å; L398-T425 HydrophobicContact CD1-CG2 4.29Å; E423-T425 PolarHBondContact O-N 3.11Å
426	V	74.3	Confident	63	Low	7 Å²	7	49.1 Å²	49.1	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.6	166.2	-175.1	0	0	0	0	107.1	G132 I133 F230 P393 L395	G132-V426 CarbonylContact C-O 3.59Å; G132-V426 VanDerWaalsContact CA-O 3.24Å; G132-V426 WeakPolarHBondContact CA-O 3.45Å; I133-V426 PolarHBondContact N-O 2.92Å; I133-V426 PolarHBondContact O-N 3.35Å; F230-V426 HydrophobicContact CZ-CB 4.42Å; F230-V426 HydrophobicContact CZ-CG1 4.41Å; P393-V426 HydrophobicContact CB-CG1 4.2Å; P393-V426 HydrophobicContact CB-CG2 3.95Å; L395-V426 HydrophobicContact CD2-CG2 3.87Å
427	M	77.4	Confident	65.1	Low	39 Å²	39	41.8 Å²	41.8	19%	0.192	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.7	175.8	-63.7	-62.1	-62.3	0	0	109.8	I131 L198 S382 K396	I131-M427 HydrophobicContact CD1-CE 4.5Å; I131-M427 HydrophobicContact CG1-CE 4.49Å; L198-M427 HydrophobicContact CD1-CE 4.4Å; L198-M427 HydrophobicContact CD1-SD 4.15Å; S382-M427 WeakPolarHBondContact CA-O 3.39Å; S382-M427 WeakPolarHBondContact CB-O 3.31Å; K396-M427 HydrophobicContact CB-CG 3.98Å; K396-M427 HydrophobicContact CD-CG 4.24Å; K396-M427 HydrophobicContact CG-CG 4.34Å
428	C	76.4	Confident	67.8	Low	5 Å²	5	36.5 Å²	36.5	3%	0.034	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-61.5	146	171	59.3	0	0	0	0	111.6	I131 F230 E432 L433	I131-C428 WeakPolarHBondContact CA-SG 3.26Å; I131-C428 PolarHBondContact O-N 3.31Å; I131-C428 PolarHBondContact O-SG 2.94Å; F230-C428 HydrophobicContact CD1-CB 3.73Å; F230-C428 HydrophobicContact CE1-CB 4.18Å; F230-C428 HydrophobicContact CG-CB 4.43Å; C428-E432 HydrophobicContact CB-CB 4.21Å; C428-L433 HydrophobicContact CB-CD2 4.23Å; C428-L433 HydrophobicContact CB-CG 3.97Å; C428-L433 WeakPolarHBondContact SG-CD2 3.23Å; C428-L433 WeakPolarHBondContact SG-CG 3.32Å
429	G	78	Confident	70.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.			trans	-85.4	176.8	161.1	0	0	0	0	0	111.4	L379 P380 I431 E432 L433	L379-G429 WeakPolarHBondContact O-CA 3.4Å; P380-G429 CarbonylContact O-C 3.4Å; G429-I431 PolarHBondContact O-N 3.31Å; G429-E432 WeakPolarHBondContact CA-OE2 3.03Å; G429-E432 PolarHBondContact N-OE2 2.95Å; G429-E432 PolarHBondContact O-N 2.99Å; G429-L433 WeakPolarHBondContact O-CB 3.48Å; G429-L433 VanDerWaalsContact O-CG 3.31Å; G429-L433 WeakPolarHBondContact O-CG 3.32Å; G429-L433 PolarHBondContact O-N 2.7Å
430	T	82.5	Confident	73	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-34.5	176.8	-55.6	0	0	0	0	112.5	C370 Y372 M378 L379 P380 A434	C370-T430 HydrophobicContact CB-CG2 3.94Å; Y372-T430 HydrophobicContact CD2-CG2 4.43Å; Y372-T430 WeakPolarHBondContact CD2-OG1 3.19Å; M378-T430 HydrophobicContact CE-CG2 4.44Å; M378-T430 WeakPolarHBondContact CE-OG1 3.48Å; L379-T430 PolarHBondContact O-N 3.09Å; P380-T430 PolarHBondContact O-N 3.07Å; P380-T430 VanDerWaalsContact O-N 3.09Å; T430-A434 PolarHBondContact O-N 2.84Å; T430-A434 VanDerWaalsContact O-N 3.17Å
431	I	82.1	Confident	75.7	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.7	-53.8	176.4	-73.4	157.4	0	0	0	109.4	P380 G429 L433 A434 A439 F441 L455 A458 M462 T491 I493	P380-I431 HydrophobicContact CB-CD1 4.17Å; P380-I431 WeakPolarHBondContact O-CB 3.18Å; P380-I431 WeakPolarHBondContact O-CD1 3.43Å; P380-I431 WeakPolarHBondContact O-CG1 3.22Å; P380-I431 PolarHBondContact O-N 2.71Å; G429-I431 PolarHBondContact O-N 3.31Å; I431-L433 PolarHBondContact O-N 3.16Å; I431-A434 CarbonylContact O-C 3.54Å; I431-A434 WeakPolarHBondContact O-CA 3.17Å; I431-A434 PolarHBondContact O-N 2.93Å; I431-A439 HydrophobicContact CG1-CB 4.19Å; I431-F441 HydrophobicContact CD1-CE2 4.48Å; I431-F441 HydrophobicContact CD1-CZ 4.09Å; I431-F441 HydrophobicContact CG1-CE2 4.15Å; I431-F441 HydrophobicContact CG1-CZ 3.91Å; I431-L455 HydrophobicContact CD1-CD1 4.34Å; I431-A458 HydrophobicContact CD1-CB 3.45Å; I431-A458 VanDerWaalsContact CD1-CB 3.45Å; I431-M462 HydrophobicContact CB-CE 4.12Å; I431-M462 HydrophobicContact CD1-CE 3.4Å; I431-M462 HydrophobicContact CG1-CE 3.78Å; I431-M462 HydrophobicContact CG2-CE 3.28Å; I431-M462 HydrophobicContact CG2-SD 4.03Å; I431-T491 HydrophobicContact CG2-CG2 4.25Å; I431-T491 WeakPolarHBondContact CG2-OG1 3.41Å; I431-T491 WeakPolarHBondContact O-CG2 3.4Å; I431-I493 HydrophobicContact CD1-CD1 4.35Å
432	E	79.5	Confident	77.9	Confident	5 Å²	5	17.3 Å²	17.3	2%	0.023	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-37.5	-178.4	-64.6	86.4	164.6	0	0	111.2	F230 G231 T381 S382 C428 G429 A434 S435	F230-E432 HydrophobicContact CB-CB 4.1Å; G231-E432 VanDerWaalsContact CA-O 3.23Å; G231-E432 WeakPolarHBondContact CA-O 3.29Å; T381-E432 WeakPolarHBondContact CA-OE2 3.42Å; T381-E432 WeakPolarHBondContact CG2-OE1 3.25Å; S382-E432 VanDerWaalsContact CB-OE1 3.24Å; S382-E432 WeakPolarHBondContact CB-OE1 3.35Å; S382-E432 VanDerWaalsContact N-CD 3.29Å; S382-E432 PolarHBondContact N-OE1 3.1Å; S382-E432 PolarHBondContact N-OE2 2.79Å; S382-E432 VanDerWaalsContact N-OE2 3.11Å; S382-E432 PolarHBondContact OG-OE1 2.88Å; C428-E432 HydrophobicContact CB-CB 4.21Å; G429-E432 WeakPolarHBondContact CA-OE2 3.03Å; G429-E432 PolarHBondContact N-OE2 2.95Å; G429-E432 PolarHBondContact O-N 2.99Å; E432-A434 PolarHBondContact O-N 2.9Å; E432-S435 VanDerWaalsContact O-CB 3.28Å; E432-S435 WeakPolarHBondContact O-CB 3.47Å; E432-S435 PolarHBondContact O-N 3.08Å
433	L	80.7	Confident	79.7	Confident	4 Å²	4	11.5 Å²	11.5	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-58.5	-31	173.5	-78.2	170.5	0	0	0	113.8	V129 I131 I210 M378 C428 G429 I431 S435	V129-L433 HydrophobicContact CG1-CD2 4.1Å; I131-L433 HydrophobicContact CG2-CD2 3.83Å; I210-L433 HydrophobicContact CD1-CB 4.43Å; I210-L433 HydrophobicContact CD1-CD1 4.03Å; I210-L433 HydrophobicContact CD1-CD2 4.13Å; I210-L433 HydrophobicContact CD1-CG 4.44Å; M378-L433 HydrophobicContact CE-CD1 3.46Å; M378-L433 VanDerWaalsContact CE-CD1 3.46Å; M378-L433 HydrophobicContact SD-CD1 3.49Å; M378-L433 WeakPolarHBondContact SD-CD1 3.48Å; C428-L433 HydrophobicContact CB-CD2 4.23Å; C428-L433 HydrophobicContact CB-CG 3.97Å; C428-L433 WeakPolarHBondContact SG-CD2 3.23Å; C428-L433 WeakPolarHBondContact SG-CG 3.32Å; G429-L433 WeakPolarHBondContact O-CB 3.48Å; G429-L433 VanDerWaalsContact O-CG 3.31Å; G429-L433 WeakPolarHBondContact O-CG 3.32Å; G429-L433 PolarHBondContact O-N 2.7Å; I431-L433 PolarHBondContact O-N 3.16Å; L433-S435 VanDerWaalsContact C-N 3.27Å; L433-S435 PolarHBondContact O-N 3.13Å
434	A	80.2	Confident	81.2	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	14	178.2	0	0	0	0	0	113.2	C370 T430 I431 E432 G436 G437 A439 T491	C370-A434 HydrophobicContact CB-CB 4Å; T430-A434 PolarHBondContact O-N 2.84Å; T430-A434 VanDerWaalsContact O-N 3.17Å; I431-A434 CarbonylContact O-C 3.54Å; I431-A434 WeakPolarHBondContact O-CA 3.17Å; I431-A434 PolarHBondContact O-N 2.93Å; E432-A434 PolarHBondContact O-N 2.9Å; A434-G436 PolarHBondContact O-N 2.97Å; A434-G436 VanDerWaalsContact O-N 3.13Å; A434-G437 CarbonylContact O-C 3.56Å; A434-G437 WeakPolarHBondContact O-CA 3.21Å; A434-G437 PolarHBondContact O-N 2.95Å; A434-A439 HydrophobicContact CB-CB 3.81Å; A434-T491 HydrophobicContact CB-CG2 4.11Å; A434-T491 WeakPolarHBondContact O-CG2 3.45Å
435	S	78.9	Confident	82.1	Confident	7 Å²	7	9 Å²	9	5%	0.049	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	119	179.8	-177.6	0	0	0	0	111.7	E432 L433 P488 T491	E432-S435 VanDerWaalsContact O-CB 3.28Å; E432-S435 WeakPolarHBondContact O-CB 3.47Å; E432-S435 PolarHBondContact O-N 3.08Å; L433-S435 VanDerWaalsContact C-N 3.27Å; L433-S435 PolarHBondContact O-N 3.13Å; S435-P488 PolarHBondContact OG-O 3.25Å; S435-T491 VanDerWaalsContact CA-CG2 3.47Å
436	G	74.9	Confident	82.8	Confident	8 Å²	8	13.9 Å²	13.9	8%	0.082	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	6.2	180	0	0	0	0	0	115.5	A434 E490	A434-G436 PolarHBondContact O-N 2.97Å; A434-G436 VanDerWaalsContact O-N 3.13Å; G436-E490 WeakPolarHBondContact CA-O 3.48Å; G436-E490 PolarHBondContact N-O 2.63Å
437	G	81.4	Confident	83.3	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-141.6	-139.9	179	0	0	0	0	0	112.6	P368 A434 T492	P368-G437 WeakPolarHBondContact O-CA 3.46Å; A434-G437 CarbonylContact O-C 3.56Å; A434-G437 WeakPolarHBondContact O-CA 3.21Å; A434-G437 PolarHBondContact O-N 2.95Å; G437-T492 PolarHBondContact O-N 3.2Å
438	I	87.9	Confident	83.6	Confident	2 Å²	2	19 Å²	19	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.8	-172.9	-63.7	172.3	0	0	0	111.7	L320 T366 P368 F369 C370 T492 W494	L320-I438 HydrophobicContact CD2-CD1 3.69Å; T366-I438 HydrophobicContact CG2-CD1 3.56Å; T366-I438 HydrophobicContact CG2-CG1 4.07Å; T366-I438 WeakPolarHBondContact OG1-CD1 3.35Å; P368-I438 PolarHBondContact O-N 3.39Å; F369-I438 HydrophobicContact CD2-CB 4.03Å; F369-I438 HydrophobicContact CD2-CG2 3.98Å; F369-I438 HydrophobicContact CE2-CG2 4.08Å; C370-I438 PolarHBondContact N-O 2.93Å; I438-T492 CarbonylContact C-O 3.53Å; I438-T492 WeakPolarHBondContact CA-O 3.13Å; I438-W494 HydrophobicContact CD1-CD2 3.97Å; I438-W494 HydrophobicContact CD1-CE3 3.91Å; I438-W494 HydrophobicContact CD1-CH2 3.46Å; I438-W494 VanDerWaalsContact CD1-CH2 3.46Å; I438-W494 HydrophobicContact CD1-CZ2 3.49Å; I438-W494 VanDerWaalsContact CD1-CZ2 3.49Å; I438-W494 HydrophobicContact CD1-CZ3 3.66Å; I438-W494 HydrophobicContact CG2-CB 4.11Å; I438-W494 HydrophobicContact CG2-CD2 3.78Å; I438-W494 HydrophobicContact CG2-CE3 3.92Å; I438-W494 HydrophobicContact CG2-CG 3.87Å
439	A	89.1	Confident	83.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116	165.8	0	0	0	0	0	109.4	I431 A434 F441 T492 I493 W494	I431-A439 HydrophobicContact CG1-CB 4.19Å; A434-A439 HydrophobicContact CB-CB 3.81Å; A439-F441 HydrophobicContact CB-CE2 3.82Å; A439-F441 HydrophobicContact CB-CZ 4.49Å; A439-T492 PolarHBondContact N-O 3.25Å; A439-I493 WeakPolarHBondContact O-CA 3.47Å; A439-W494 PolarHBondContact O-N 2.9Å
440	Y	92.5	Very high	83.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.5	-175.8	179.9	-122.7	0	0	0	112.1	N356 L359 F369 C370 E371 Y372 P442 W494 T496	N356-Y440 WeakPolarHBondContact CA-OH 3.33Å; N356-Y440 PolarHBondContact OD1-OH 2.93Å; L359-Y440 HydrophobicContact CB-CD2 4.33Å; L359-Y440 HydrophobicContact CB-CE2 3.74Å; L359-Y440 HydrophobicContact CD1-CD2 4.31Å; L359-Y440 HydrophobicContact CD1-CE2 3.63Å; L359-Y440 HydrophobicContact CG-CE2 4.35Å; F369-Y440 HydrophobicContact CE2-CD1 4.47Å; F369-Y440 HydrophobicContact CE2-CG 4.05Å; F369-Y440 AromaticContact CZ-CD1 3.77Å; F369-Y440 HydrophobicContact CZ-CD1 3.77Å; F369-Y440 AromaticContact CZ-CG 3.81Å; F369-Y440 HydrophobicContact CZ-CG 3.81Å; C370-Y440 PolarHBondContact O-N 2.85Å; E371-Y440 CarbonylContact C-O 3.55Å; E371-Y440 WeakPolarHBondContact CA-O 3.31Å; E371-Y440 HydrophobicContact CB-CD1 4.2Å; E371-Y440 HydrophobicContact CG-CD1 3.79Å; E371-Y440 HydrophobicContact CG-CE1 4.37Å; Y372-Y440 PolarHBondContact N-O 2.82Å; Y440-P442 HydrophobicContact CD1-CG 4.4Å; Y440-P442 HydrophobicContact CE1-CB 3.68Å; Y440-P442 HydrophobicContact CE1-CG 4Å; Y440-P442 WeakPolarHBondContact O-CD 3.1Å; Y440-W494 CarbonylContact C-O 3.52Å; Y440-W494 WeakPolarHBondContact CA-O 3.31Å; Y440-W494 HydrophobicContact CD2-CB 4.01Å; Y440-T496 HydrophobicContact CE2-CG2 4.17Å; Y440-T496 VanDerWaalsContact OH-CG2 3.24Å; Y440-T496 WeakPolarHBondContact OH-CG2 3.46Å
441	F	91.3	Very high	83.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	86.8	-178.7	-65.1	-90.1	0	0	0	110.4	Y372 P380 I431 A439 L444 Y447 L455 I493 W494 A495 T496	Y372-F441 VanDerWaalsContact CB-CD1 3.42Å; Y372-F441 HydrophobicContact CD1-CD1 4.3Å; Y372-F441 HydrophobicContact CD2-CD1 4.19Å; Y372-F441 AromaticContact CD2-CE1 3.66Å; Y372-F441 HydrophobicContact CD2-CE1 3.66Å; Y372-F441 AromaticContact CG-CD1 3.73Å; Y372-F441 HydrophobicContact CG-CD1 3.73Å; Y372-F441 AromaticContact CG-CE1 3.69Å; Y372-F441 HydrophobicContact CG-CE1 3.69Å; P380-F441 HydrophobicContact CB-CE1 3.87Å; P380-F441 HydrophobicContact CB-CZ 4.04Å; P380-F441 HydrophobicContact CG-CE1 4.15Å; I431-F441 HydrophobicContact CD1-CE2 4.48Å; I431-F441 HydrophobicContact CD1-CZ 4.09Å; I431-F441 HydrophobicContact CG1-CE2 4.15Å; I431-F441 HydrophobicContact CG1-CZ 3.91Å; A439-F441 HydrophobicContact CB-CE2 3.82Å; A439-F441 HydrophobicContact CB-CZ 4.49Å; F441-L444 HydrophobicContact CB-CD2 3.8Å; F441-Y447 AromaticContact CD1-CE1 3.88Å; F441-Y447 HydrophobicContact CD1-CE1 3.88Å; F441-L455 HydrophobicContact CD1-CD1 4.37Å; F441-L455 HydrophobicContact CD1-CD2 4.35Å; F441-L455 HydrophobicContact CD2-CD1 4Å; F441-L455 HydrophobicContact CE1-CD1 4.11Å; F441-L455 HydrophobicContact CE2-CD1 3.7Å; F441-L455 HydrophobicContact CG-CD1 4.32Å; F441-L455 HydrophobicContact CG-CD2 4.24Å; F441-L455 HydrophobicContact CZ-CD1 3.76Å; F441-I493 HydrophobicContact CD2-CG2 3.72Å; F441-I493 HydrophobicContact CE2-CG2 3.87Å; F441-W494 PolarHBondContact N-O 3.34Å; F441-A495 HydrophobicContact CB-CB 4.02Å; F441-A495 WeakPolarHBondContact O-CA 3.46Å; F441-A495 WeakPolarHBondContact O-CB 3.25Å; F441-T496 PolarHBondContact O-N 2.93Å; F441-T496 VanDerWaalsContact O-N 3.13Å
442	P	89.8	Confident	84	Confident	11 Å²	11	34.7 Å²	34.7	7%	0.071	16%	0.163	C	C	.	.			trans	-70.1	145.2	178.8	28.2	-34.3	0	0	0	111.1	N356 E371 Y372 Y440 Y447 T496	N356-P442 WeakPolarHBondContact OD1-CB 3.47Å; E371-P442 HydrophobicContact CG-CG 4.02Å; Y372-P442 VanDerWaalsContact O-CD 3.31Å; Y372-P442 WeakPolarHBondContact O-CD 3.47Å; Y440-P442 HydrophobicContact CD1-CG 4.4Å; Y440-P442 HydrophobicContact CE1-CB 3.68Å; Y440-P442 HydrophobicContact CE1-CG 4Å; Y440-P442 WeakPolarHBondContact O-CD 3.1Å; P442-Y447 WeakPolarHBondContact O-CE2 3.38Å; P442-Y447 PolarHBondContact O-OH 3.39Å; P442-T496 VanDerWaalsContact CA-OG1 3.3Å; P442-T496 WeakPolarHBondContact CA-OG1 3.49Å
443	N	86.7	Confident	84.1	Confident	30 Å²	30	37.8 Å²	37.8	16%	0.16	18%	0.182	C	C	.	.			trans	53.1	60.5	165.4	-67.3	18.9	0	0	0	113.3	N356 E445 L446 Y447 T496 E498	N356-N443 PolarHBondContact ND2-OD1 2.81Å; N356-N443 PolarHBondContact OD1-OD1 2.93Å; N443-E445 WeakPolarHBondContact CA-OE1 3.13Å; N443-E445 WeakPolarHBondContact CA-OE2 3.38Å; N443-E445 WeakPolarHBondContact CB-OE1 3.45Å; N443-E445 PolarHBondContact O-N 2.86Å; N443-L446 HydrophobicContact CB-CD1 3.88Å; N443-L446 HydrophobicContact CB-CG 4.21Å; N443-L446 WeakPolarHBondContact O-CB 3.14Å; N443-L446 PolarHBondContact O-N 2.98Å; N443-Y447 WeakPolarHBondContact O-CD2 3.47Å; N443-Y447 WeakPolarHBondContact O-CE2 3.34Å; N443-T496 WeakPolarHBondContact CA-O 3.42Å; N443-T496 PolarHBondContact N-O 3Å; N443-T496 VanDerWaalsContact N-O 3.15Å; N443-T496 PolarHBondContact N-OG1 2.9Å; N443-T496 PolarHBondContact OD1-OG1 3.38Å; N443-E498 PolarHBondContact ND2-OE1 2.7Å
444	L	87.6	Confident	84.1	Confident	2 Å²	2	38 Å²	38	1%	0.01	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-55.1	-24.6	-177.1	-69.6	179.9	0	0	0	114	L345 F441 L446 Y447 L452 L455 A495 T496 V497 I548 F552	L345-L444 HydrophobicContact CD1-CD1 3.77Å; F441-L444 HydrophobicContact CB-CD2 3.8Å; L444-L446 PolarHBondContact O-N 3.27Å; L444-Y447 HydrophobicContact CD2-CE1 4.5Å; L444-Y447 WeakPolarHBondContact O-CB 3.25Å; L444-Y447 PolarHBondContact O-N 2.76Å; L444-L452 HydrophobicContact CD2-CD2 4.46Å; L444-L455 HydrophobicContact CD2-CD2 3.65Å; L444-A495 HydrophobicContact CD1-CB 3.73Å; L444-A495 HydrophobicContact CD2-CB 4.3Å; L444-A495 HydrophobicContact CG-CB 4.03Å; L444-T496 WeakPolarHBondContact CG-O 3.34Å; L444-T496 PolarHBondContact N-O 2.87Å; L444-V497 HydrophobicContact CB-CB 4.43Å; L444-I548 HydrophobicContact CD1-CG2 3.93Å; L444-F552 HydrophobicContact CD1-CE2 4.1Å; L444-F552 HydrophobicContact CD1-CZ 4.39Å
445	E	83.4	Confident	84.3	Confident	60 Å²	60	38 Å²	38	28%	0.28	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-62.3	-20.8	176	69.7	-74	169	0	0	113.7	N443 V497 E498	N443-E445 WeakPolarHBondContact CA-OE1 3.13Å; N443-E445 WeakPolarHBondContact CA-OE2 3.38Å; N443-E445 WeakPolarHBondContact CB-OE1 3.45Å; N443-E445 PolarHBondContact O-N 2.86Å; E445-V497 WeakPolarHBondContact OE2-CA 3.33Å; E445-E498 PolarHBondContact OE2-N 2.79Å
446	L	84.5	Confident	84.5	Confident	110 Å²	110	38.6 Å²	38.6	58%	0.576	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-86.5	-6	179.7	-58.5	179.9	0	0	0	113.8	N443 L444	N443-L446 HydrophobicContact CB-CD1 3.88Å; N443-L446 HydrophobicContact CB-CG 4.21Å; N443-L446 WeakPolarHBondContact O-CB 3.14Å; N443-L446 PolarHBondContact O-N 2.98Å; L444-L446 PolarHBondContact O-N 3.27Å
447	Y	84.6	Confident	84.7	Confident	14 Å²	14	39.7 Å²	39.7	6%	0.055	19%	0.189	C	C	.	.	S	Bend	trans	-85	147.1	-169.8	-75.7	-129.1	0	0	0	111.5	Y372 P374 F441 P442 N443 L444 E451 L452	Y372-Y447 HydrophobicContact CD1-CD1 4.24Å; Y372-Y447 AromaticContact CD1-CE1 3.19Å; Y372-Y447 HydrophobicContact CD1-CE1 3.19Å; Y372-Y447 AromaticContact CD1-CZ 3.41Å; Y372-Y447 VanDerWaalsContact CD1-CZ 3.41Å; Y372-Y447 WeakPolarHBondContact CD1-OH 3.32Å; Y372-Y447 AromaticContact CE1-CD1 3.96Å; Y372-Y447 HydrophobicContact CE1-CD1 3.96Å; Y372-Y447 AromaticContact CE1-CE1 3.34Å; Y372-Y447 HydrophobicContact CE1-CE1 3.34Å; Y372-Y447 AromaticContact CE1-CZ 3.93Å; Y372-Y447 HydrophobicContact CG-CE1 4.02Å; Y372-Y447 PolarHBondContact O-OH 3.26Å; P374-Y447 HydrophobicContact CB-CD2 4.34Å; P374-Y447 HydrophobicContact CB-CE2 4.18Å; F441-Y447 AromaticContact CD1-CE1 3.88Å; F441-Y447 HydrophobicContact CD1-CE1 3.88Å; P442-Y447 WeakPolarHBondContact O-CE2 3.38Å; P442-Y447 PolarHBondContact O-OH 3.39Å; N443-Y447 WeakPolarHBondContact O-CD2 3.47Å; N443-Y447 WeakPolarHBondContact O-CE2 3.34Å; L444-Y447 HydrophobicContact CD2-CE1 4.5Å; L444-Y447 WeakPolarHBondContact O-CB 3.25Å; L444-Y447 PolarHBondContact O-N 2.76Å; Y447-E451 HydrophobicContact CD1-CB 4.01Å; Y447-L452 HydrophobicContact CD1-CD2 4.43Å; Y447-L452 HydrophobicContact CG-CD2 4.14Å
448	K	84	Confident	84.6	Confident	139 Å²	139	39.9 Å²	39.9	60%	0.604	19%	0.19	S	C	*	.			trans	-70.7	150.8	173.8	-66	174.6	-176.3	165.3	0	109.8	K450 E451 L452	K448-K450 PolarHBondContact O-N 2.86Å; K448-E451 HydrophobicContact CB-CG 4.36Å; K448-E451 PolarHBondContact N-OE2 2.73Å; K448-E451 WeakPolarHBondContact O-CB 3.23Å; K448-E451 PolarHBondContact O-N 3.02Å; K448-L452 PolarHBondContact O-N 3.45Å
449	K	80.5	Confident	84.3	Confident	135 Å²	135	40.1 Å²	40.1	59%	0.587	19%	0.192	S	C	*	.	H	α-helix	trans	-49.8	-37	177.3	-175.6	173.1	-176.6	-179.1	0	113.8	T453 N544	K449-T453 WeakPolarHBondContact O-CB 3.37Å; K449-T453 PolarHBondContact O-N 2.94Å; K449-T453 PolarHBondContact O-OG1 3.43Å; K449-N544 WeakPolarHBondContact CE-OD1 3.48Å; K449-N544 WeakPolarHBondContact CG-ND2 3.32Å
450	K	79.3	Confident	83.7	Confident	178 Å²	178	46 Å²	46	77%	0.774	22%	0.219	S	C	*	.	H	α-helix	trans	-66.5	-44.4	177.5	-69.1	-169.6	175.2	-167.1	0	112.6	K448 T453 S454	K448-K450 PolarHBondContact O-N 2.86Å; K450-T453 PolarHBondContact O-N 2.99Å; K450-S454 PolarHBondContact O-N 3.41Å
451	E	82.7	Confident	82.6	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.065	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-45.4	178.7	-63.2	160.3	173.5	0	0	109.8	Y447 K448 T453 S454 L455	Y447-E451 HydrophobicContact CD1-CB 4.01Å; K448-E451 HydrophobicContact CB-CG 4.36Å; K448-E451 PolarHBondContact N-OE2 2.73Å; K448-E451 WeakPolarHBondContact O-CB 3.23Å; K448-E451 PolarHBondContact O-N 3.02Å; E451-T453 PolarHBondContact O-N 2.79Å; E451-S454 WeakPolarHBondContact O-CB 3.44Å; E451-S454 PolarHBondContact O-N 3.34Å; E451-L455 PolarHBondContact O-N 3.46Å
452	L	83.9	Confident	81.3	Confident	10 Å²	10	49.3 Å²	49.3	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-44.1	174.1	-75.6	-169.7	0	0	0	113.2	L444 Y447 K448 S454 L455 V456 L545 I548	L444-L452 HydrophobicContact CD2-CD2 4.46Å; Y447-L452 HydrophobicContact CD1-CD2 4.43Å; Y447-L452 HydrophobicContact CG-CD2 4.14Å; K448-L452 PolarHBondContact O-N 3.45Å; L452-S454 VanDerWaalsContact C-N 3.35Å; L452-L455 PolarHBondContact O-N 3.38Å; L452-V456 WeakPolarHBondContact O-CG2 3.47Å; L452-V456 PolarHBondContact O-N 3.1Å; L452-L545 HydrophobicContact CD1-CD2 4.12Å; L452-I548 HydrophobicContact CB-CD1 3.81Å; L452-I548 HydrophobicContact CD1-CD1 3.78Å; L452-I548 HydrophobicContact CD2-CD1 3.51Å; L452-I548 HydrophobicContact CG-CD1 3.85Å
453	T	82	Confident	79.5	Confident	69 Å²	69	52.3 Å²	52.3	42%	0.423	26%	0.255	S	S	.	.	H	α-helix	trans	-65.7	-39.4	178.2	-53.6	0	0	0	0	111.5	K449 K450 E451 V456 Y457	K449-T453 WeakPolarHBondContact O-CB 3.37Å; K449-T453 PolarHBondContact O-N 2.94Å; K449-T453 PolarHBondContact O-OG1 3.43Å; K450-T453 PolarHBondContact O-N 2.99Å; E451-T453 PolarHBondContact O-N 2.79Å; T453-V456 PolarHBondContact O-N 3.14Å; T453-Y457 PolarHBondContact O-N 3.35Å; T453-Y457 VanDerWaalsContact O-N 3.08Å
454	S	80.5	Confident	77.3	Confident	8 Å²	8	54.5 Å²	54.5	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-40.2	174.4	173.3	0	0	0	0	111.9	K450 E451 L452 Y457 A458	K450-S454 PolarHBondContact O-N 3.41Å; E451-S454 WeakPolarHBondContact O-CB 3.44Å; E451-S454 PolarHBondContact O-N 3.34Å; L452-S454 VanDerWaalsContact C-N 3.35Å; S454-Y457 PolarHBondContact O-N 3.42Å; S454-A458 WeakPolarHBondContact O-CB 3.4Å; S454-A458 PolarHBondContact O-N 3.16Å
455	L	84.3	Confident	75.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.5	-43.6	176.9	-177.7	61.6	0	0	0	112.3	I431 F441 L444 E451 L452 Y457 A458 L459 I493	I431-L455 HydrophobicContact CD1-CD1 4.34Å; F441-L455 HydrophobicContact CD1-CD1 4.37Å; F441-L455 HydrophobicContact CD1-CD2 4.35Å; F441-L455 HydrophobicContact CD2-CD1 4Å; F441-L455 HydrophobicContact CE1-CD1 4.11Å; F441-L455 HydrophobicContact CE2-CD1 3.7Å; F441-L455 HydrophobicContact CG-CD1 4.32Å; F441-L455 HydrophobicContact CG-CD2 4.24Å; F441-L455 HydrophobicContact CZ-CD1 3.76Å; L444-L455 HydrophobicContact CD2-CD2 3.65Å; E451-L455 PolarHBondContact O-N 3.46Å; L452-L455 PolarHBondContact O-N 3.38Å; L455-Y457 VanDerWaalsContact C-N 3.35Å; L455-Y457 PolarHBondContact O-N 3.33Å; L455-A458 PolarHBondContact O-N 3.13Å; L455-L459 HydrophobicContact CG-CD1 4.16Å; L455-L459 WeakPolarHBondContact O-CG 3.32Å; L455-L459 PolarHBondContact O-N 3.29Å; L455-I493 HydrophobicContact CD1-CD1 4.37Å; L455-I493 HydrophobicContact CD1-CG2 4.25Å
456	V	83.5	Confident	73	Confident	20 Å²	20	61.9 Å²	61.9	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-47.1	175	174.8	0	0	0	0	110.9	L452 T453 A458 L459 E460 I548	L452-V456 WeakPolarHBondContact O-CG2 3.47Å; L452-V456 PolarHBondContact O-N 3.1Å; T453-V456 PolarHBondContact O-N 3.14Å; V456-A458 PolarHBondContact O-N 2.99Å; V456-L459 WeakPolarHBondContact O-CB 3.2Å; V456-L459 PolarHBondContact O-N 3.01Å; V456-L459 VanDerWaalsContact O-N 3.14Å; V456-E460 HydrophobicContact CG1-CG 4.31Å; V456-E460 WeakPolarHBondContact O-CG 3.45Å; V456-E460 PolarHBondContact O-N 3.44Å; V456-I548 HydrophobicContact CG2-CB 4.2Å; V456-I548 HydrophobicContact CG2-CD1 4.4Å; V456-I548 HydrophobicContact CG2-CG1 3.25Å
457	Y	78.7	Confident	70.7	Confident	32 Å²	32	59.4 Å²	59.4	13%	0.125	30%	0.297	C	S	.	.	H	α-helix	trans	-55.8	-43	176.8	173.2	-94.3	0	0	0	111.6	L383 V385 K391 T453 S454 L455 E460 N461	L383-Y457 HydrophobicContact CD1-CE1 4.49Å; V385-Y457 HydrophobicContact CG2-CD1 3.8Å; V385-Y457 HydrophobicContact CG2-CD2 3.51Å; V385-Y457 HydrophobicContact CG2-CE1 4.24Å; V385-Y457 HydrophobicContact CG2-CE2 3.95Å; V385-Y457 HydrophobicContact CG2-CG 3.42Å; V385-Y457 VanDerWaalsContact CG2-CG 3.42Å; K391-Y457 WeakPolarHBondContact CD-OH 3.38Å; K391-Y457 WeakPolarHBondContact CE-OH 3.42Å; T453-Y457 PolarHBondContact O-N 3.35Å; T453-Y457 VanDerWaalsContact O-N 3.08Å; S454-Y457 PolarHBondContact O-N 3.42Å; L455-Y457 VanDerWaalsContact C-N 3.35Å; L455-Y457 PolarHBondContact O-N 3.33Å; Y457-E460 PolarHBondContact O-N 3.08Å; Y457-N461 WeakPolarHBondContact CD2-ND2 3.1Å; Y457-N461 HydrophobicContact CE1-CB 4.39Å; Y457-N461 HydrophobicContact CE2-CB 4.13Å; Y457-N461 VanDerWaalsContact CE2-ND2 3.34Å; Y457-N461 WeakPolarHBondContact CE2-ND2 3.48Å; Y457-N461 WeakPolarHBondContact O-CB 3.05Å; Y457-N461 PolarHBondContact O-N 3.38Å; Y457-N461 PolarHBondContact O-ND2 3.27Å
458	A	79.1	Confident	68.4	Low	3 Å²	3	61.8 Å²	61.8	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-69	-39.7	179.4	0	0	0	0	0	112	R340 T381 I431 S454 L455 V456 E460 M462	R340-A458 PolarHBondContact NH1-O 3.31Å; T381-A458 WeakPolarHBondContact OG1-CB 3.38Å; I431-A458 HydrophobicContact CD1-CB 3.45Å; I431-A458 VanDerWaalsContact CD1-CB 3.45Å; S454-A458 WeakPolarHBondContact O-CB 3.4Å; S454-A458 PolarHBondContact O-N 3.16Å; L455-A458 PolarHBondContact O-N 3.13Å; V456-A458 PolarHBondContact O-N 2.99Å; A458-E460 VanDerWaalsContact C-N 3.31Å; A458-E460 PolarHBondContact O-N 3.47Å; A458-M462 HydrophobicContact CB-CE 3.38Å; A458-M462 VanDerWaalsContact O-CB 3.31Å; A458-M462 WeakPolarHBondContact O-CB 3.36Å; A458-M462 WeakPolarHBondContact O-CE 3.41Å; A458-M462 WeakPolarHBondContact O-CG 3.37Å; A458-M462 PolarHBondContact O-N 2.89Å
459	L	81.6	Confident	65.9	Low	7 Å²	7	60.6 Å²	60.6	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-56.8	-46	172.9	-76.7	162.8	0	0	0	111.3	R340 A343 L455 V456 I493 A551 F552	R340-L459 VanDerWaalsContact CZ-O 3.29Å; R340-L459 PolarHBondContact NE-O 2.96Å; R340-L459 VanDerWaalsContact NH1-CA 3.3Å; R340-L459 PolarHBondContact NH1-O 3.35Å; A343-L459 HydrophobicContact CB-CD2 3.44Å; A343-L459 VanDerWaalsContact CB-CD2 3.44Å; L455-L459 HydrophobicContact CG-CD1 4.16Å; L455-L459 WeakPolarHBondContact O-CG 3.32Å; L455-L459 PolarHBondContact O-N 3.29Å; V456-L459 WeakPolarHBondContact O-CB 3.2Å; V456-L459 PolarHBondContact O-N 3.01Å; V456-L459 VanDerWaalsContact O-N 3.14Å; L459-I493 HydrophobicContact CD2-CB 4.24Å; L459-I493 HydrophobicContact CD2-CD1 3.63Å; L459-I493 HydrophobicContact CD2-CG2 4.33Å; L459-I493 HydrophobicContact CG-CD1 3.96Å; L459-A551 HydrophobicContact CB-CB 3.95Å; L459-A551 HydrophobicContact CD1-CB 3.88Å; L459-F552 HydrophobicContact CD1-CD2 4.07Å; L459-F552 HydrophobicContact CD1-CE2 3.74Å; L459-F552 HydrophobicContact CD1-CZ 4Å; L459-F552 HydrophobicContact CD2-CD1 4.33Å; L459-F552 HydrophobicContact CD2-CE1 4.22Å; L459-F552 HydrophobicContact CD2-CZ 4.41Å
460	E	76.8	Confident	63.5	Low	124 Å²	124	57.6 Å²	57.6	58%	0.579	32%	0.324	S	S	*	.	H	α-helix	trans	-79.4	-32.8	-174.5	-67.7	175.4	170.4	0	0	114.4	V456 Y457 A458	V456-E460 HydrophobicContact CG1-CG 4.31Å; V456-E460 WeakPolarHBondContact O-CG 3.45Å; V456-E460 PolarHBondContact O-N 3.44Å; Y457-E460 PolarHBondContact O-N 3.08Å; A458-E460 VanDerWaalsContact C-N 3.31Å; A458-E460 PolarHBondContact O-N 3.47Å
461	N	70.3	Confident	61.4	Low	56 Å²	56	55 Å²	55	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-116.8	3.7	-166.2	-59.6	-75.2	0	0	0	115.8	Y457 T463 V464	Y457-N461 WeakPolarHBondContact CD2-ND2 3.1Å; Y457-N461 HydrophobicContact CE1-CB 4.39Å; Y457-N461 HydrophobicContact CE2-CB 4.13Å; Y457-N461 VanDerWaalsContact CE2-ND2 3.34Å; Y457-N461 WeakPolarHBondContact CE2-ND2 3.48Å; Y457-N461 WeakPolarHBondContact O-CB 3.05Å; Y457-N461 PolarHBondContact O-N 3.38Å; Y457-N461 PolarHBondContact O-ND2 3.27Å; N461-T463 PolarHBondContact O-N 3.25Å; N461-V464 PolarHBondContact O-N 3Å
462	M	62.6	Low	58.8	Low	13 Å²	13	57.6 Å²	57.6	6%	0.064	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-9	-173.5	-100.9	177.9	-146.8	0	0	116.5	R340 I431 A458 N489 T491 I493	R340-M462 HydrophobicContact CG-CB 4.5Å; R340-M462 PolarHBondContact NH1-SD 3.21Å; I431-M462 HydrophobicContact CB-CE 4.12Å; I431-M462 HydrophobicContact CD1-CE 3.4Å; I431-M462 HydrophobicContact CG1-CE 3.78Å; I431-M462 HydrophobicContact CG2-CE 3.28Å; I431-M462 HydrophobicContact CG2-SD 4.03Å; A458-M462 HydrophobicContact CB-CE 3.38Å; A458-M462 VanDerWaalsContact O-CB 3.31Å; A458-M462 WeakPolarHBondContact O-CB 3.36Å; A458-M462 WeakPolarHBondContact O-CE 3.41Å; A458-M462 WeakPolarHBondContact O-CG 3.37Å; A458-M462 PolarHBondContact O-N 2.89Å; M462-N489 HydrophobicContact CB-CB 4.28Å; M462-N489 HydrophobicContact CG-CB 3.88Å; M462-N489 HydrophobicContact SD-CB 4.49Å; M462-T491 PolarHBondContact SD-OG1 3.37Å; M462-I493 HydrophobicContact CE-CD1 3.14Å; M462-I493 HydrophobicContact CE-CG1 3.93Å; M462-I493 HydrophobicContact SD-CD1 3.91Å; M462-I493 HydrophobicContact SD-CG1 4.39Å
463	T	52.3	Low	56.3	Low	74 Å²	74	62 Å²	62	45%	0.454	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-6.8	-176.8	53.9	0	0	0	0	114.9	R340 N461	R340-T463 HydrophobicContact CB-CG2 3.6Å; N461-T463 PolarHBondContact O-N 3.25Å
464	V	41.7	Very low	53.8	Low	77 Å²	77	66.2 Å²	66.2	47%	0.467	39%	0.388	S	S	.	.			trans	-91	119.3	-174.3	-169.4	0	0	0	0	109.1	N461 D466	N461-V464 PolarHBondContact O-N 3Å; V464-D466 VanDerWaalsContact CG1-OD1 3.26Å; V464-D466 WeakPolarHBondContact CG1-OD1 3.33Å; V464-D466 PolarHBondContact O-N 2.8Å
465	E	42.9	Very low	51.4	Low	167 Å²	167	71.1 Å²	71.1	78%	0.78	41%	0.413	S	S	*	.			trans	-57.8	73.8	161.3	-66.1	180	159.1	0	0	109	S467	E465-S467 VanDerWaalsContact C-N 3.32Å; E465-S467 PolarHBondContact O-N 3.4Å
466	D	37.5	Very low	48.6	Very low	49 Å²	49	77.5 Å²	77.5	26%	0.262	45%	0.452	S	S	.	.			trans	-81.2	87.6	-179.1	-80.4	-46.9	0	0	0	108.6	K391 V464	K391-D466 IonicContact NZ-OD1 3.78Å; K391-D466 PolarHBondContact NZ-OD1 3.21Å; K391-D466 IonicContact NZ-OD2 3.94Å; K391-D466 PolarHBondContact NZ-OD2 3.02Å; V464-D466 VanDerWaalsContact CG1-OD1 3.26Å; V464-D466 WeakPolarHBondContact CG1-OD1 3.33Å; V464-D466 PolarHBondContact O-N 2.8Å
467	S	35	Very low	46.1	Very low	58 Å²	58	81.9 Å²	81.9	41%	0.406	48%	0.484	S	S	.	.			trans	-63	138.8	158.9	57.9	0	0	0	0	109.8	E465 S469	E465-S467 VanDerWaalsContact C-N 3.32Å; E465-S467 PolarHBondContact O-N 3.4Å; S467-S469 PolarHBondContact O-N 3.36Å
468	F	36.9	Very low	43.9	Very low	64 Å²	64	84 Å²	84	28%	0.281	50%	0.5	S	S	.	.			trans	-67.8	105.1	179.4	-75.6	-86.4	0	0	0	110.4	L383 P393 Y487	L383-F468 HydrophobicContact CD2-CE1 4.06Å; L383-F468 HydrophobicContact CD2-CZ 4.05Å; P393-F468 HydrophobicContact CB-CE1 3.89Å; P393-F468 HydrophobicContact CB-CZ 4.05Å; P393-F468 HydrophobicContact CG-CE1 3.77Å; P393-F468 HydrophobicContact CG-CZ 4.36Å; F468-Y487 AromaticContact CE2-CE2 3.78Å; F468-Y487 HydrophobicContact CE2-CE2 3.78Å
469	S	31.7	Very low	41.6	Very low	115 Å²	115	89.5 Å²	89.5	80%	0.804	53%	0.525	S	S	*	.			trans	-112.2	132.3	158.7	79.1	0	0	0	0	109.8	S467	S467-S469 PolarHBondContact O-N 3.36Å
470	G	30.9	Very low	39.3	Very low	71 Å²	71	97.3 Å²	97.3	73%	0.732	56%	0.558	S	S	*	*			trans	106.8	31.1	158.1	0	0	0	0	0	119.1	G472	G470-G472 PolarHBondContact O-N 2.96Å
471	Y	33.7	Very low	37.3	Very low	123 Å²	123	93.2 Å²	93.2	48%	0.482	54%	0.54	S	S	.	.			trans	-90.4	97.8	153	-107.7	-83.9	0	0	0	110.7	K392 V473	K392-Y471 HydrophobicContact CB-CE2 4.18Å; K392-Y471 HydrophobicContact CD-CE2 4.34Å; K392-Y471 WeakPolarHBondContact CD-OH 3.49Å; K392-Y471 WeakPolarHBondContact CE-OH 3.47Å; K392-Y471 HydrophobicContact CG-CE2 3.75Å; K392-Y471 WeakPolarHBondContact CG-OH 3.38Å; Y471-V473 PolarHBondContact O-N 3.41Å
472	G	28.3	Very low	35.6	Very low	69 Å²	69	93.1 Å²	93.1	71%	0.711	54%	0.544	S	S	*	.			trans	-65	95.7	170.4	0	0	0	0	0	110.9	G470	G470-G472 PolarHBondContact O-N 2.96Å
473	V	32.9	Very low	34.6	Very low	103 Å²	103	97.4 Å²	97.4	62%	0.624	56%	0.564	S	S	*	*			trans	-123.9	120.7	144.4	178.5	0	0	0	0	104.4	Y471 L475	Y471-V473 PolarHBondContact O-N 3.41Å; V473-L475 VanDerWaalsContact C-N 3.31Å; V473-L475 PolarHBondContact O-N 3.39Å
474	D	28.1	Very low	34.2	Very low	158 Å²	158	97.2 Å²	97.2	85%	0.845	56%	0.558	S	S	*	*			trans	-53.7	88.2	-178.2	-71.7	-38.8	0	0	0	111.6
475	L	30.5	Very low	34.5	Very low	111 Å²	111	94.8 Å²	94.8	58%	0.581	54%	0.542	S	S	*	.			trans	-133.8	79.5	167.2	-74.3	170.3	0	0	0	107	V473 S477 V478	V473-L475 VanDerWaalsContact C-N 3.31Å; V473-L475 PolarHBondContact O-N 3.39Å; L475-S477 PolarHBondContact O-N 2.89Å; L475-V478 HydrophobicContact CB-CG2 4.47Å; L475-V478 PolarHBondContact O-N 2.94Å
476	T	26.4	Very low	34.7	Very low	133 Å²	133	92.7 Å²	92.7	82%	0.816	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	80	172.5	50.8	0	0	0	0	110.7
477	S	31	Very low	35.4	Very low	113 Å²	113	92.5 Å²	92.5	79%	0.79	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	170	-7	157.4	46.8	0	0	0	0	113.1	L475	L475-S477 PolarHBondContact O-N 2.89Å
478	V	32.8	Very low	36.1	Very low	75 Å²	75	91.4 Å²	91.4	46%	0.455	52%	0.518	S	S	.	.			trans	-97.7	-5.7	-172.2	-173	0	0	0	0	113.6	L475 K480	L475-V478 HydrophobicContact CB-CG2 4.47Å; L475-V478 PolarHBondContact O-N 2.94Å; V478-K480 VanDerWaalsContact C-N 3.28Å; V478-K480 PolarHBondContact O-N 3.18Å
479	H	30.6	Very low	37.1	Very low	119 Å²	119	90.2 Å²	90.2	55%	0.551	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	12.6	-168.4	-75.7	-59.2	0	0	0	117.8
480	K	32.6	Very low	39	Very low	171 Å²	171	86.4 Å²	86.4	74%	0.743	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	0.1	-179.9	-96.8	-174.4	175.3	-175.5	0	115.8	V478	V478-K480 VanDerWaalsContact C-N 3.28Å; V478-K480 PolarHBondContact O-N 3.18Å
481	I	34.1	Very low	41.4	Very low	39 Å²	39	83 Å²	83	20%	0.2	45%	0.449	C	S	.	.	S	Bend	trans	-121.3	-10.2	-163.2	-53.1	-178.8	0	0	0	112.2	F138 E483 E484	F138-I481 HydrophobicContact CE2-CD1 4.06Å; F138-I481 HydrophobicContact CZ-CD1 3.51Å; I481-E483 PolarHBondContact O-N 3.19Å; I481-E484 PolarHBondContact O-N 3.45Å
482	S	35.4	Very low	43.9	Very low	54 Å²	54	77.2 Å²	77.2	38%	0.378	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-67.4	-9	167.3	-37.7	0	0	0	0	113.3
483	E	41.5	Very low	46.9	Very low	102 Å²	102	74 Å²	74	48%	0.477	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-78.2	-13.1	177	-65.5	177.8	170.6	0	0	113.4	I481 L485	I481-E483 PolarHBondContact O-N 3.19Å; E483-L485 PolarHBondContact O-N 3.49Å
484	E	43.9	Very low	49.8	Very low	71 Å²	71	69 Å²	69	33%	0.332	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-83.8	-6.6	-171.4	-67	-179.9	176.1	0	0	114.9	K193 I481	K193-E484 IonicContact NZ-OE1 2.71Å; K193-E484 PolarHBondContact NZ-OE1 2.7Å; K193-E484 IonicContact NZ-OE2 3.06Å; K193-E484 PolarHBondContact NZ-OE2 2.9Å; I481-E484 PolarHBondContact O-N 3.45Å
485	L	47.8	Very low	52.9	Low	26 Å²	26	61.5 Å²	61.5	14%	0.136	32%	0.323	C	S	.	.			trans	-98.8	99.5	178.1	-73.5	167.2	0	0	0	110.1	I133 E483 Y487	I133-L485 HydrophobicContact CD1-CD2 4.32Å; I133-L485 HydrophobicContact CG2-CD1 4.11Å; I133-L485 HydrophobicContact CG2-CD2 4.21Å; E483-L485 PolarHBondContact O-N 3.49Å; L485-Y487 HydrophobicContact CB-CE2 4.14Å; L485-Y487 VanDerWaalsContact O-CD2 3.28Å; L485-Y487 WeakPolarHBondContact O-CD2 3.42Å; L485-Y487 WeakPolarHBondContact O-CE2 3.32Å
486	F	47.5	Very low	55.9	Low	122 Å²	122	56.2 Å²	56.2	54%	0.535	30%	0.295	S	S	.	.			trans	-79	129.2	177.1	-66.7	-88.3	0	0	0	110.9	P488	F486-P488 VanDerWaalsContact C-CD 3.5Å; F486-P488 WeakPolarHBondContact O-CD 3.31Å
487	Y	51.6	Low	58.9	Low	45 Å²	45	50 Å²	50	18%	0.176	26%	0.257	C	S	.	.			trans	-109.6	85.4	173.8	-64.4	-100.1	0	0	0	109.6	F230 F468 L485 N489	F230-Y487 AromaticContact CD2-CD1 3.65Å; F230-Y487 HydrophobicContact CD2-CD1 3.65Å; F230-Y487 AromaticContact CD2-CE1 3.16Å; F230-Y487 HydrophobicContact CD2-CE1 3.16Å; F230-Y487 AromaticContact CD2-CZ 3.99Å; F230-Y487 HydrophobicContact CE2-CD1 4.18Å; F230-Y487 AromaticContact CE2-CE1 3.22Å; F230-Y487 HydrophobicContact CE2-CE1 3.22Å; F230-Y487 AromaticContact CE2-CZ 3.68Å; F230-Y487 WeakPolarHBondContact CE2-OH 3.44Å; F230-Y487 HydrophobicContact CG-CE1 4.33Å; F230-Y487 HydrophobicContact CZ-CE1 4.4Å; F468-Y487 AromaticContact CE2-CE2 3.78Å; F468-Y487 HydrophobicContact CE2-CE2 3.78Å; L485-Y487 HydrophobicContact CB-CE2 4.14Å; L485-Y487 VanDerWaalsContact O-CD2 3.28Å; L485-Y487 WeakPolarHBondContact O-CD2 3.42Å; L485-Y487 WeakPolarHBondContact O-CE2 3.32Å; Y487-N489 PolarHBondContact O-N 3.22Å; Y487-N489 VanDerWaalsContact O-N 3.07Å
488	P	49.8	Very low	61.5	Low	36 Å²	36	46.3 Å²	46.3	23%	0.234	23%	0.227	C	C	.	.			trans	-74.1	99.6	176.4	29.1	-32.3	0	0	0	109.7	K229 S435 F486 E490	K229-P488 HydrophobicContact CD-CG 4.24Å; S435-P488 PolarHBondContact OG-O 3.25Å; F486-P488 VanDerWaalsContact C-CD 3.5Å; F486-P488 WeakPolarHBondContact O-CD 3.31Å; P488-E490 VanDerWaalsContact C-N 3.28Å; P488-E490 HydrophobicContact CB-CG 4.36Å; P488-E490 PolarHBondContact O-N 3.14Å
489	N	58	Low	63.6	Low	38 Å²	38	43.6 Å²	43.6	20%	0.203	21%	0.211	C	C	.	.			trans	-83.4	76.1	177.1	-77.1	-18.5	0	0	0	111.3	M462 Y487 T491	M462-N489 HydrophobicContact CB-CB 4.28Å; M462-N489 HydrophobicContact CG-CB 3.88Å; M462-N489 HydrophobicContact SD-CB 4.49Å; Y487-N489 PolarHBondContact O-N 3.22Å; Y487-N489 VanDerWaalsContact O-N 3.07Å; N489-T491 PolarHBondContact O-N 2.95Å
490	E	72.3	Confident	65.4	Low	36 Å²	36	41.2 Å²	41.2	17%	0.168	20%	0.202	C	C	.	.			trans	-83.7	32.4	176.7	-73.5	-179.2	178.8	0	0	112.8	R232 F325 G436 P488	R232-E490 IonicContact CZ-OE2 2.66Å; R232-E490 IonicContact NE-OE2 3.42Å; R232-E490 IonicContact NH2-OE1 3.63Å; R232-E490 PolarHBondContact NH2-OE1 2.98Å; R232-E490 IonicContact NH2-OE2 2.77Å; R232-E490 PolarHBondContact NH2-OE2 2.97Å; F325-E490 HydrophobicContact CB-CG 4.35Å; F325-E490 HydrophobicContact CD1-CB 3.61Å; F325-E490 HydrophobicContact CD1-CG 3.35Å; F325-E490 HydrophobicContact CD2-CB 4.3Å; F325-E490 HydrophobicContact CD2-CG 4.23Å; F325-E490 HydrophobicContact CE1-CB 3.3Å; F325-E490 HydrophobicContact CE1-CG 3.65Å; F325-E490 WeakPolarHBondContact CE1-O 3.25Å; F325-E490 HydrophobicContact CE2-CB 4.03Å; F325-E490 HydrophobicContact CE2-CG 4.46Å; F325-E490 HydrophobicContact CG-CB 4.11Å; F325-E490 HydrophobicContact CG-CG 3.69Å; F325-E490 HydrophobicContact CZ-CB 3.54Å; F325-E490 HydrophobicContact CZ-CG 4.21Å; F325-E490 WeakPolarHBondContact CZ-O 3.46Å; G436-E490 WeakPolarHBondContact CA-O 3.48Å; G436-E490 PolarHBondContact N-O 2.63Å; P488-E490 VanDerWaalsContact C-N 3.28Å; P488-E490 HydrophobicContact CB-CG 4.36Å; P488-E490 PolarHBondContact O-N 3.14Å
491	T	80.2	Confident	66.5	Low	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.			trans	-107.6	127.4	-165.9	52.9	0	0	0	0	113.2	P341 I431 A434 S435 M462 N489	P341-T491 VanDerWaalsContact CG-C 3.45Å; P341-T491 VanDerWaalsContact CG-O 3.29Å; P341-T491 WeakPolarHBondContact CG-O 3.44Å; I431-T491 HydrophobicContact CG2-CG2 4.25Å; I431-T491 WeakPolarHBondContact CG2-OG1 3.41Å; I431-T491 WeakPolarHBondContact O-CG2 3.4Å; A434-T491 HydrophobicContact CB-CG2 4.11Å; A434-T491 WeakPolarHBondContact O-CG2 3.45Å; S435-T491 VanDerWaalsContact CA-CG2 3.47Å; M462-T491 PolarHBondContact SD-OG1 3.37Å; N489-T491 PolarHBondContact O-N 2.95Å
492	T	87.6	Confident	67.3	Low	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.5	170.2	-55.4	0	0	0	0	109.3	P341 P342 G437 I438 A439	P341-T492 HydrophobicContact CB-CG2 4.4Å; P341-T492 WeakPolarHBondContact CB-OG1 3.49Å; P341-T492 WeakPolarHBondContact CG-OG1 3.22Å; P342-T492 WeakPolarHBondContact O-CG2 3.35Å; G437-T492 PolarHBondContact O-N 3.2Å; I438-T492 CarbonylContact C-O 3.53Å; I438-T492 WeakPolarHBondContact CA-O 3.13Å; A439-T492 PolarHBondContact N-O 3.25Å
493	I	90.9	Very high	67.7	Low	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.9	-179.4	-57.8	177.1	0	0	0	109.5	A343 L344 I431 A439 F441 L455 L459 M462 F552	A343-I493 CarbonylContact C-O 3.6Å; A343-I493 WeakPolarHBondContact CA-O 3.28Å; A343-I493 HydrophobicContact CB-CB 4.2Å; L344-I493 PolarHBondContact N-O 3.14Å; I431-I493 HydrophobicContact CD1-CD1 4.35Å; A439-I493 WeakPolarHBondContact O-CA 3.47Å; F441-I493 HydrophobicContact CD2-CG2 3.72Å; F441-I493 HydrophobicContact CE2-CG2 3.87Å; L455-I493 HydrophobicContact CD1-CD1 4.37Å; L455-I493 HydrophobicContact CD1-CG2 4.25Å; L459-I493 HydrophobicContact CD2-CB 4.24Å; L459-I493 HydrophobicContact CD2-CD1 3.63Å; L459-I493 HydrophobicContact CD2-CG2 4.33Å; L459-I493 HydrophobicContact CG-CD1 3.96Å; M462-I493 HydrophobicContact CE-CD1 3.14Å; M462-I493 HydrophobicContact CE-CG1 3.93Å; M462-I493 HydrophobicContact SD-CD1 3.91Å; M462-I493 HydrophobicContact SD-CG1 4.39Å; I493-F552 HydrophobicContact CG2-CE1 4.04Å; I493-F552 HydrophobicContact CG2-CZ 4.27Å
494	W	93.8	Very high	67.3	Low	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.2	172.1	-68.9	-1.9	0	0	0	110.2	L316 L319 L320 L344 L359 A362 I438 A439 Y440 F441	L316-W494 HydrophobicContact CD2-CH2 3.84Å; L316-W494 HydrophobicContact CD2-CZ2 4.06Å; L316-W494 HydrophobicContact CD2-CZ3 4.18Å; L319-W494 HydrophobicContact CB-CZ2 4.16Å; L320-W494 HydrophobicContact CD1-CH2 4.45Å; L320-W494 HydrophobicContact CD2-CH2 3.67Å; L320-W494 HydrophobicContact CD2-CZ2 4.17Å; L320-W494 HydrophobicContact CG-CH2 3.9Å; L320-W494 HydrophobicContact CG-CZ2 4.26Å; L344-W494 HydrophobicContact CB-CG 4.3Å; L344-W494 CarbonylContact O-C 3.58Å; L344-W494 VanDerWaalsContact O-CA 3.32Å; L344-W494 WeakPolarHBondContact O-CA 3.49Å; L359-W494 HydrophobicContact CB-CE3 4.3Å; L359-W494 HydrophobicContact CD1-CB 4.28Å; L359-W494 HydrophobicContact CD2-CD2 4.29Å; L359-W494 HydrophobicContact CD2-CE3 3.87Å; L359-W494 HydrophobicContact CD2-CZ3 4.25Å; A362-W494 HydrophobicContact CB-CH2 3.9Å; A362-W494 HydrophobicContact CB-CZ3 3.68Å; I438-W494 HydrophobicContact CD1-CD2 3.97Å; I438-W494 HydrophobicContact CD1-CE3 3.91Å; I438-W494 HydrophobicContact CD1-CH2 3.46Å; I438-W494 VanDerWaalsContact CD1-CH2 3.46Å; I438-W494 HydrophobicContact CD1-CZ2 3.49Å; I438-W494 VanDerWaalsContact CD1-CZ2 3.49Å; I438-W494 HydrophobicContact CD1-CZ3 3.66Å; I438-W494 HydrophobicContact CG2-CB 4.11Å; I438-W494 HydrophobicContact CG2-CD2 3.78Å; I438-W494 HydrophobicContact CG2-CE3 3.92Å; I438-W494 HydrophobicContact CG2-CG 3.87Å; A439-W494 PolarHBondContact O-N 2.9Å; Y440-W494 CarbonylContact C-O 3.52Å; Y440-W494 WeakPolarHBondContact CA-O 3.31Å; Y440-W494 HydrophobicContact CD2-CB 4.01Å; F441-W494 PolarHBondContact N-O 3.34Å
495	A	93.7	Very high	66.9	Low	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.1	178.7	0	0	0	0	0	112.8	L344 L345 L346 L359 F441 L444 F552	L344-A495 PolarHBondContact O-N 3.44Å; L345-A495 WeakPolarHBondContact CA-O 2.7Å; L345-A495 HydrophobicContact CD1-CB 3.72Å; L346-A495 PolarHBondContact N-O 3.4Å; L359-A495 WeakPolarHBondContact CD1-O 3.47Å; F441-A495 HydrophobicContact CB-CB 4.02Å; F441-A495 WeakPolarHBondContact O-CA 3.46Å; F441-A495 WeakPolarHBondContact O-CB 3.25Å; L444-A495 HydrophobicContact CD1-CB 3.73Å; L444-A495 HydrophobicContact CD2-CB 4.3Å; L444-A495 HydrophobicContact CG-CB 4.03Å; A495-F552 HydrophobicContact CB-CE1 3.92Å; A495-F552 HydrophobicContact CB-CE2 4.34Å; A495-F552 HydrophobicContact CB-CZ 3.48Å; A495-F552 VanDerWaalsContact CB-CZ 3.48Å
496	T	92.4	Very high	66.1	Low	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.7	168.6	57.1	0	0	0	0	110.5	L346 N356 L359 Y440 F441 P442 N443 L444	L346-T496 HydrophobicContact CB-CG2 4.3Å; L346-T496 CarbonylContact O-C 3.47Å; L346-T496 VanDerWaalsContact O-CA 3.29Å; L346-T496 WeakPolarHBondContact O-CA 3.41Å; N356-T496 PolarHBondContact OD1-OG1 3.18Å; L359-T496 HydrophobicContact CD1-CG2 3.78Å; Y440-T496 HydrophobicContact CE2-CG2 4.17Å; Y440-T496 VanDerWaalsContact OH-CG2 3.24Å; Y440-T496 WeakPolarHBondContact OH-CG2 3.46Å; F441-T496 PolarHBondContact O-N 2.93Å; F441-T496 VanDerWaalsContact O-N 3.13Å; P442-T496 VanDerWaalsContact CA-OG1 3.3Å; P442-T496 WeakPolarHBondContact CA-OG1 3.49Å; N443-T496 WeakPolarHBondContact CA-O 3.42Å; N443-T496 PolarHBondContact N-O 3Å; N443-T496 VanDerWaalsContact N-O 3.15Å; N443-T496 PolarHBondContact N-OG1 2.9Å; N443-T496 PolarHBondContact OD1-OG1 3.38Å; L444-T496 WeakPolarHBondContact CG-O 3.34Å; L444-T496 PolarHBondContact N-O 2.87Å
497	V	89.7	Confident	65.5	Low	2 Å²	2	64.7 Å²	64.7	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.4	170.3	63.9	0	0	0	0	109.5	L345 L346 V347 G348 L444 E445 V499	L345-V497 HydrophobicContact CD1-CB 4.3Å; L345-V497 HydrophobicContact CD1-CG1 4Å; L345-V497 HydrophobicContact CD2-CG1 4.1Å; L345-V497 HydrophobicContact CG-CG1 4.22Å; L346-V497 PolarHBondContact O-N 2.88Å; V347-V497 WeakPolarHBondContact CA-O 3.18Å; V347-V497 HydrophobicContact CB-CG1 4.2Å; V347-V497 HydrophobicContact CG1-CG1 4.2Å; V347-V497 HydrophobicContact CG2-CG1 3.74Å; G348-V497 PolarHBondContact N-O 3.39Å; L444-V497 HydrophobicContact CB-CB 4.43Å; E445-V497 WeakPolarHBondContact OE2-CA 3.33Å; V497-V499 HydrophobicContact CG2-CG2 4.48Å
498	E	84.9	Confident	64.5	Low	36 Å²	36	71.7 Å²	71.7	17%	0.168	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.3	172.2	-66.8	-175.6	-158.1	0	0	110	G348 G351 N443 E445	G348-E498 CarbonylContact O-C 3.31Å; G348-E498 WeakPolarHBondContact O-CA 3.34Å; G351-E498 PolarHBondContact N-OE2 3.17Å; N443-E498 PolarHBondContact ND2-OE1 2.7Å; E445-E498 PolarHBondContact OE2-N 2.79Å
499	V	77	Confident	63.6	Low	18 Å²	18	77.1 Å²	77.1	11%	0.109	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.7	175.7	-166.8	0	0	0	0	111	V347 G348 L350 V497 P501 L540 L541	V347-V499 HydrophobicContact CG1-CB 4.47Å; V347-V499 HydrophobicContact CG1-CG2 3.69Å; G348-V499 PolarHBondContact O-N 2.7Å; L350-V499 PolarHBondContact N-O 3.28Å; V497-V499 HydrophobicContact CG2-CG2 4.48Å; V499-P501 WeakPolarHBondContact O-CD 3.42Å; V499-L540 HydrophobicContact CB-CD2 4Å; V499-L540 HydrophobicContact CG1-CD2 3.31Å; V499-L540 HydrophobicContact CG2-CD2 4.28Å; V499-L541 HydrophobicContact CG1-CD2 4.49Å; V499-L541 HydrophobicContact CG2-CD1 4.38Å; V499-L541 HydrophobicContact CG2-CD2 4.34Å
500	N	68.1	Low	62.3	Low	68 Å²	68	80.3 Å²	80.3	36%	0.364	40%	0.401	S	S	.	.			trans	-95.8	114.6	175.1	-171.3	-15.3	0	0	0	109.4	L502	N500-L502 PolarHBondContact O-N 3.45Å; N500-L502 WeakPolarHBondContact OD1-CB 3.46Å; N500-L502 PolarHBondContact OD1-N 3.33Å; N500-L502 VanDerWaalsContact OD1-N 3.09Å
501	P	57.3	Low	60.3	Low	92 Å²	92	85.9 Å²	85.9	60%	0.597	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.8	-179.5	24.3	-32.5	0	0	0	113.9	V499	V499-P501 WeakPolarHBondContact O-CD 3.42Å
502	L	50.3	Low	58	Low	142 Å²	142	92.6 Å²	92.6	74%	0.743	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	8.9	-168.8	-64.7	171.8	0	0	0	116.6	N500 R504	N500-L502 PolarHBondContact O-N 3.45Å; N500-L502 WeakPolarHBondContact OD1-CB 3.46Å; N500-L502 PolarHBondContact OD1-N 3.33Å; N500-L502 VanDerWaalsContact OD1-N 3.09Å; L502-R504 VanDerWaalsContact C-N 3.27Å; L502-R504 PolarHBondContact O-N 2.92Å
503	Q	44.1	Very low	55.3	Low	159 Å²	159	103.2 Å²	103.2	74%	0.743	51%	0.511	S	S	*	.			trans	-74	77.1	177.4	-80.4	-168.3	7.4	0	0	112.8	N505	Q503-N505 PolarHBondContact O-N 3.22Å
504	R	33.2	Very low	52.3	Low	233 Å²	233	112 Å²	112	88%	0.879	56%	0.556	S	S	*	*			trans	-64.2	122.7	162.6	-79.6	-178.2	174.1	159.8	-0	110	L502	L502-R504 VanDerWaalsContact C-N 3.27Å; L502-R504 PolarHBondContact O-N 2.92Å
505	N	35.1	Very low	49.3	Very low	111 Å²	111	116.8 Å²	116.8	59%	0.594	59%	0.59	S	S	*	*			trans	-54.7	140.3	159.5	-83.4	-32.4	0	0	0	109.7	Q503 V507	Q503-N505 PolarHBondContact O-N 3.22Å; N505-V507 VanDerWaalsContact C-N 3.3Å; N505-V507 PolarHBondContact O-N 3.22Å
506	K	30.5	Very low	46.4	Very low	213 Å²	213	125.5 Å²	125.5	93%	0.926	63%	0.631	S	S	*	*			trans	-56.2	88	174.9	-69.9	176.8	177.6	176.4	0	110.8
507	V	35.1	Very low	43.4	Very low	129 Å²	129	132.2 Å²	132.2	78%	0.782	67%	0.667	S	S	*	*			trans	-80	117.7	154.4	177	0	0	0	0	106	N505 D509	N505-V507 VanDerWaalsContact C-N 3.3Å; N505-V507 PolarHBondContact O-N 3.22Å; V507-D509 PolarHBondContact O-N 3.49Å
508	K	30.1	Very low	40.9	Very low	192 Å²	192	142.6 Å²	142.6	84%	0.835	71%	0.707	S	S	*	*	S	Bend	trans	-62.2	102.4	169.2	-68.7	173	177.6	177.5	0	106.9
509	D	32.2	Very low	38.5	Very low	149 Å²	149	148 Å²	148	80%	0.797	74%	0.736	S	S	*	*			trans	-161.7	130.3	132.2	-86.7	-29.2	0	0	0	108.6	V507	V507-D509 PolarHBondContact O-N 3.49Å
510	P	30.6	Very low	36.4	Very low	106 Å²	106	155.5 Å²	155.5	69%	0.688	77%	0.768	S	S	*	*			trans	-84	164.8	-175	36.1	-32.7	0	0	0	110.1
511	I	29.7	Very low	34.8	Very low	152 Å²	152	158.1 Å²	158.1	78%	0.779	78%	0.782	S	S	*	*			trans	93.7	86.6	165	-44.3	151.5	0	0	0	114.1
512	V	32.4	Very low	34	Very low	141 Å²	141	158.8 Å²	158.8	86%	0.855	78%	0.784	S	S	*	*				-141.1	111	121.9	-177	0	0	0	0	107.4
513	R	30.5	Very low	33.6	Very low	225 Å²	225	158 Å²	158	85%	0.849	78%	0.781	S	S	*	*			trans	-68.4	129.2	168.7	-71.5	177.1	172.8	164.1	-2.5	107.8	S515	R513-S515 PolarHBondContact O-N 2.94Å
514	L	28.3	Very low	33.6	Very low	184 Å²	184	156 Å²	156	96%	0.963	77%	0.774	S	S	*	*			trans	-62.3	97.6	165.5	-81.6	122.3	0	0	0	108.8
515	S	31.3	Very low	33.7	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	76%	0.764	S	S	*	*			trans	-104.4	119.2	159.9	58.3	0	0	0	0	108.3	R513 N517	R513-S515 PolarHBondContact O-N 2.94Å; S515-N517 PolarHBondContact O-N 3.26Å
516	Q	31.4	Very low	33.7	Very low	182 Å²	182	153.2 Å²	153.2	85%	0.85	77%	0.767	S	S	*	*	S	Bend	trans	-40	119.1	163.3	-63.7	160.5	-25.9	0	0	109.4
517	N	30	Very low	34	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	76%	0.757	S	S	*	*			trans	157.7	61.9	155.7	-81	-11	0	0	0	112	S515	S515-N517 PolarHBondContact O-N 3.26Å
518	Y	37.9	Very low	33.9	Very low	219 Å²	219	153.1 Å²	153.1	86%	0.859	75%	0.753	S	S	*	*			trans	-149.1	76.1	156.4	-74.7	-72	0	0	0	109
519	L	32.8	Very low	34.1	Very low	149 Å²	149	148.8 Å²	148.8	78%	0.78	74%	0.737	S	S	*	*			trans	-70.3	141.3	141.1	-92.6	91.9	0	0	0	106.2
520	F	33.9	Very low	34.3	Very low	177 Å²	177	148.8 Å²	148.8	78%	0.776	73%	0.733	S	S	*	*	S	Bend	trans	77.9	76.7	179.2	-50.3	-78.7	0	0	0	114.9
521	D	33.9	Very low	34.5	Very low	122 Å²	122	151.7 Å²	151.7	65%	0.652	73%	0.734	S	S	*	*			trans	-172.8	71.1	143.7	-91.4	-21.7	0	0	0	108.5	D523	D521-D523 VanDerWaalsContact C-N 3.34Å
522	T	41.9	Very low	34.8	Very low	107 Å²	107	148 Å²	148	66%	0.656	72%	0.715	S	S	*	*			trans	-76.7	-17.5	-177.8	32.6	0	0	0	0	113.9
523	D	40.8	Very low	35.1	Very low	126 Å²	126	145.9 Å²	145.9	67%	0.674	70%	0.699	S	S	*	*	H	α-helix	trans	-91.6	-22.1	-162.7	-60.4	-9.4	0	0	0	113.1	D521	D521-D523 VanDerWaalsContact C-N 3.34Å
524	I	44.4	Very low	35.4	Very low	115 Å²	115	142.4 Å²	142.4	59%	0.59	69%	0.693	S	S	*	*	H	α-helix	trans	-86.9	-17.4	178.8	-60.2	172.1	0	0	0	112.2
525	F	35.2	Very low	35.9	Very low	155 Å²	155	139.8 Å²	139.8	68%	0.68	68%	0.675	S	S	*	*	H	α-helix	trans	-80.9	-25.7	178.8	-110.1	-90.5	0	0	0	113.2	M529	F525-M529 WeakPolarHBondContact O-CG 3.36Å; F525-M529 PolarHBondContact O-N 2.69Å
526	M	34.7	Very low	36.2	Very low	131 Å²	131	136.7 Å²	136.7	65%	0.645	65%	0.654	S	S	*	*	H	α-helix	trans	-76.2	-42.4	-177.8	-72.5	-176.7	54.9	0	0	113.2	R528 M529 E530	M526-R528 VanDerWaalsContact C-N 3.26Å; M526-R528 PolarHBondContact O-N 3.2Å; M526-M529 WeakPolarHBondContact O-CB 3.38Å; M526-M529 PolarHBondContact O-N 3.47Å; M526-M529 VanDerWaalsContact O-N 3.11Å; M526-E530 PolarHBondContact O-N 2.7Å
527	E	36.6	Very low	36.8	Very low	155 Å²	155	131.4 Å²	131.4	72%	0.724	63%	0.634	S	S	*	*	H	α-helix	trans	-67.1	-25.2	179.1	-76.5	-173.3	157.2	0	0	113.3
528	R	33.9	Very low	37.4	Very low	186 Å²	186	131.1 Å²	131.1	70%	0.702	63%	0.632	S	S	*	*	H	α-helix	trans	-78.4	-29.1	172.7	-95.1	178.8	174.1	150.5	-0.2	112.9	M526 I532	M526-R528 VanDerWaalsContact C-N 3.26Å; M526-R528 PolarHBondContact O-N 3.2Å; R528-I532 VanDerWaalsContact O-CD1 3.29Å; R528-I532 WeakPolarHBondContact O-CD1 3.32Å; R528-I532 VanDerWaalsContact O-CG1 3.22Å; R528-I532 WeakPolarHBondContact O-CG1 3.3Å; R528-I532 PolarHBondContact O-N 3.08Å
529	M	34.5	Very low	37.5	Very low	101 Å²	101	126.1 Å²	126.1	50%	0.498	62%	0.62	S	S	.	*	H	α-helix	trans	-68.1	-36.6	176.7	-81.1	-83	-171.9	0	0	111.9	F525 M526 K531 I532 N533	F525-M529 WeakPolarHBondContact O-CG 3.36Å; F525-M529 PolarHBondContact O-N 2.69Å; M526-M529 WeakPolarHBondContact O-CB 3.38Å; M526-M529 PolarHBondContact O-N 3.47Å; M526-M529 VanDerWaalsContact O-N 3.11Å; M529-K531 VanDerWaalsContact C-N 3.34Å; M529-K531 PolarHBondContact O-N 2.9Å; M529-I532 PolarHBondContact O-N 2.86Å; M529-I532 VanDerWaalsContact O-N 3.13Å; M529-N533 WeakPolarHBondContact O-CB 2.79Å; M529-N533 VanDerWaalsContact O-CG 3.28Å; M529-N533 PolarHBondContact O-N 3Å
530	E	35.5	Very low	38.2	Very low	149 Å²	149	122.7 Å²	122.7	70%	0.696	60%	0.602	S	S	*	*	H	α-helix	trans	-63	-37	178.7	-76.4	-176.9	160.5	0	0	113.1	M526	M526-E530 PolarHBondContact O-N 2.7Å
531	K	34.4	Very low	39	Very low	167 Å²	167	116 Å²	116	73%	0.726	57%	0.574	S	S	*	*	H	α-helix	trans	-77.7	-24.9	173.5	-81.7	-179.7	176.1	173.7	0	114	M529	M529-K531 VanDerWaalsContact C-N 3.34Å; M529-K531 PolarHBondContact O-N 2.9Å
532	I	36.3	Very low	39.8	Very low	74 Å²	74	116.5 Å²	116.5	38%	0.379	58%	0.577	S	S	.	*	H	α-helix	trans	-79.9	-30	177.7	-71.3	165.8	0	0	0	110.9	R528 M529 E534 E535 C536	R528-I532 VanDerWaalsContact O-CD1 3.29Å; R528-I532 WeakPolarHBondContact O-CD1 3.32Å; R528-I532 VanDerWaalsContact O-CG1 3.22Å; R528-I532 WeakPolarHBondContact O-CG1 3.3Å; R528-I532 PolarHBondContact O-N 3.08Å; M529-I532 PolarHBondContact O-N 2.86Å; M529-I532 VanDerWaalsContact O-N 3.13Å; I532-E534 VanDerWaalsContact C-N 3.3Å; I532-E534 PolarHBondContact O-N 3.43Å; I532-E535 PolarHBondContact O-N 2.91Å; I532-E535 VanDerWaalsContact O-N 3.09Å; I532-C536 PolarHBondContact O-N 2.91Å; I532-C536 PolarHBondContact O-SG 2.81Å
533	N	38.8	Very low	40.6	Very low	96 Å²	96	114.1 Å²	114.1	51%	0.513	57%	0.573	S	S	.	*	H	α-helix	trans	-65	-30.1	179.1	-77.8	-10.4	0	0	0	113.5	M529	M529-N533 WeakPolarHBondContact O-CB 2.79Å; M529-N533 VanDerWaalsContact O-CG 3.28Å; M529-N533 PolarHBondContact O-N 3Å
534	E	37.8	Very low	41.7	Very low	153 Å²	153	111.3 Å²	111.3	72%	0.715	56%	0.558	S	S	*	*	H	α-helix	trans	-69.4	-32.7	172	-75.9	-173.5	149.9	0	0	112.8	I532 T537	I532-E534 VanDerWaalsContact C-N 3.3Å; I532-E534 PolarHBondContact O-N 3.43Å; E534-T537 PolarHBondContact O-OG1 2.8Å
535	E	37.9	Very low	43.2	Very low	128 Å²	128	107.3 Å²	107.3	60%	0.598	54%	0.538	S	S	*	.	H	α-helix	trans	-81.7	-26.9	175.5	-72.9	-172.9	156.4	0	0	112.8	I532 T537 N538 L539	I532-E535 PolarHBondContact O-N 2.91Å; I532-E535 VanDerWaalsContact O-N 3.09Å; E535-T537 VanDerWaalsContact C-N 3.29Å; E535-T537 PolarHBondContact O-N 3.13Å; E535-N538 PolarHBondContact O-N 2.74Å; E535-N538 VanDerWaalsContact O-N 3.13Å; E535-L539 PolarHBondContact O-N 2.72Å
536	C	37.5	Very low	45.1	Very low	37 Å²	37	105.9 Å²	105.9	25%	0.25	53%	0.531	C	S	.	.	H	α-helix	trans	-60.8	-35.5	-179.9	-80.8	0	0	0	0	112.5	I532 N538 L539 L540	I532-C536 PolarHBondContact O-N 2.91Å; I532-C536 PolarHBondContact O-SG 2.81Å; C536-N538 VanDerWaalsContact C-N 3.26Å; C536-N538 PolarHBondContact O-N 2.77Å; C536-L539 PolarHBondContact O-N 3Å; C536-L540 WeakPolarHBondContact O-CG 3.37Å; C536-L540 PolarHBondContact O-N 2.99Å
537	T	45	Very low	47.2	Very low	70 Å²	70	108.9 Å²	108.9	43%	0.429	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-28.1	177.2	57.6	0	0	0	0	113.7	E534 E535	E534-T537 PolarHBondContact O-OG1 2.8Å; E535-T537 VanDerWaalsContact C-N 3.29Å; E535-T537 PolarHBondContact O-N 3.13Å
538	N	42.1	Very low	49.5	Very low	136 Å²	136	101.6 Å²	101.6	73%	0.727	50%	0.501	S	S	*	.	H	α-helix	trans	-87.9	-14.5	177.6	-74.7	-44.8	0	0	0	113.7	E535 C536	E535-N538 PolarHBondContact O-N 2.74Å; E535-N538 VanDerWaalsContact O-N 3.13Å; C536-N538 VanDerWaalsContact C-N 3.26Å; C536-N538 PolarHBondContact O-N 2.77Å
539	L	39.3	Very low	51.8	Low	115 Å²	115	94.1 Å²	94.1	60%	0.602	48%	0.475	S	S	*	.	H	α-helix	trans	-94.2	-6.6	179.5	-76.9	161.9	0	0	0	113.5	E535 C536 L541	E535-L539 PolarHBondContact O-N 2.72Å; C536-L539 PolarHBondContact O-N 3Å; L539-L541 VanDerWaalsContact C-N 3.34Å; L539-L541 PolarHBondContact O-N 3.42Å
540	L	47.5	Very low	54	Low	77 Å²	77	94 Å²	94	40%	0.403	47%	0.473	S	S	.	.	S	Bend	trans	-68.8	89.4	176.5	-65.9	163.8	0	0	0	110.4	V499 C536	V499-L540 HydrophobicContact CB-CD2 4Å; V499-L540 HydrophobicContact CG1-CD2 3.31Å; V499-L540 HydrophobicContact CG2-CD2 4.28Å; C536-L540 WeakPolarHBondContact O-CG 3.37Å; C536-L540 PolarHBondContact O-N 2.99Å
541	L	51.6	Low	56.3	Low	35 Å²	35	87.7 Å²	87.7	18%	0.183	45%	0.446	C	S	.	.			trans	98.2	89.4	151.4	-53.2	148.5	0	0	0	116.9	V499 L539 G543 L545 I549	V499-L541 HydrophobicContact CG1-CD2 4.49Å; V499-L541 HydrophobicContact CG2-CD1 4.38Å; V499-L541 HydrophobicContact CG2-CD2 4.34Å; L539-L541 VanDerWaalsContact C-N 3.34Å; L539-L541 PolarHBondContact O-N 3.42Å; L541-G543 PolarHBondContact O-N 2.79Å; L541-L545 HydrophobicContact CB-CB 3.95Å; L541-L545 HydrophobicContact CD1-CB 4.2Å; L541-L545 HydrophobicContact CD2-CB 4.15Å; L541-L545 HydrophobicContact CD2-CD1 3.6Å; L541-L545 HydrophobicContact CD2-CG 4.49Å; L541-L545 HydrophobicContact CG-CB 4.34Å; L541-I549 HydrophobicContact CD1-CD1 3.09Å; L541-I549 HydrophobicContact CD1-CG1 4.36Å
542	N	49.3	Very low	58.9	Low	134 Å²	134	79.8 Å²	79.8	72%	0.717	41%	0.412	S	S	*	.	S	Bend	trans	-55.3	124.3	159.1	-76.2	-32.8	0	0	0	110.8
543	G	60.3	Low	61.5	Low	57 Å²	57	76.9 Å²	76.9	59%	0.588	40%	0.397	S	S	*	.	S	Bend	trans	108.3	-150.2	166.8	0	0	0	0	0	116.5	L541 L545 K546	L541-G543 PolarHBondContact O-N 2.79Å; G543-L545 PolarHBondContact O-N 3.19Å; G543-K546 PolarHBondContact O-N 2.94Å
544	N	63.8	Low	64	Low	66 Å²	66	72.6 Å²	72.6	35%	0.353	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.8	-172.1	-54.4	-52.1	0	0	0	113.7	K449 K546 R547	K449-N544 WeakPolarHBondContact CE-OD1 3.48Å; K449-N544 WeakPolarHBondContact CG-ND2 3.32Å; N544-K546 PolarHBondContact O-N 2.88Å; N544-R547 PolarHBondContact O-N 2.88Å
545	L	74.6	Confident	66.5	Low	31 Å²	31	65.5 Å²	65.5	16%	0.162	34%	0.341	C	S	.	.	H	α-helix	trans	-68	-33.1	-176.7	-69.2	169.9	0	0	0	112.6	L452 L541 G543 R547 I548 I549	L452-L545 HydrophobicContact CD1-CD2 4.12Å; L541-L545 HydrophobicContact CB-CB 3.95Å; L541-L545 HydrophobicContact CD1-CB 4.2Å; L541-L545 HydrophobicContact CD2-CB 4.15Å; L541-L545 HydrophobicContact CD2-CD1 3.6Å; L541-L545 HydrophobicContact CD2-CG 4.49Å; L541-L545 HydrophobicContact CG-CB 4.34Å; G543-L545 PolarHBondContact O-N 3.19Å; L545-R547 VanDerWaalsContact C-N 3.3Å; L545-R547 PolarHBondContact O-N 3.04Å; L545-I548 HydrophobicContact CD2-CD1 4.08Å; L545-I548 PolarHBondContact O-N 2.81Å; L545-I548 VanDerWaalsContact O-N 3.13Å; L545-I549 WeakPolarHBondContact O-CG1 3.34Å; L545-I549 PolarHBondContact O-N 3.13Å
546	K	76.4	Confident	69.1	Low	126 Å²	126	59.4 Å²	59.4	55%	0.548	31%	0.313	S	S	.	.	H	α-helix	trans	-56.4	-43.3	175.5	-178.6	170.7	-177.4	169.7	0	112.5	G543 N544 I548 I549 H550	G543-K546 PolarHBondContact O-N 2.94Å; N544-K546 PolarHBondContact O-N 2.88Å; K546-I548 VanDerWaalsContact C-N 3.33Å; K546-I548 PolarHBondContact O-N 2.77Å; K546-I549 PolarHBondContact O-N 3.36Å; K546-H550 PolarHBondContact O-CD2 3.49Å; K546-H550 PolarHBondContact O-N 3.28Å
547	R	78.9	Confident	71.5	Confident	194 Å²	194	59.3 Å²	59.3	73%	0.732	31%	0.31	S	S	*	.	H	α-helix	trans	-64.5	-39.7	179.2	-68.9	-174.3	-178.4	-176.6	-1.6	111.9	N544 L545 H550 A551	N544-R547 PolarHBondContact O-N 2.88Å; L545-R547 VanDerWaalsContact C-N 3.3Å; L545-R547 PolarHBondContact O-N 3.04Å; R547-H550 PolarHBondContact O-N 2.62Å; R547-A551 PolarHBondContact O-N 3.48Å
548	I	83.3	Confident	73.5	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-47.6	179.5	-67.5	153.6	0	0	0	110.9	L444 L452 V456 L545 K546 H550 A551 F552	L444-I548 HydrophobicContact CD1-CG2 3.93Å; L452-I548 HydrophobicContact CB-CD1 3.81Å; L452-I548 HydrophobicContact CD1-CD1 3.78Å; L452-I548 HydrophobicContact CD2-CD1 3.51Å; L452-I548 HydrophobicContact CG-CD1 3.85Å; V456-I548 HydrophobicContact CG2-CB 4.2Å; V456-I548 HydrophobicContact CG2-CD1 4.4Å; V456-I548 HydrophobicContact CG2-CG1 3.25Å; L545-I548 HydrophobicContact CD2-CD1 4.08Å; L545-I548 PolarHBondContact O-N 2.81Å; L545-I548 VanDerWaalsContact O-N 3.13Å; K546-I548 VanDerWaalsContact C-N 3.33Å; K546-I548 PolarHBondContact O-N 2.77Å; I548-H550 VanDerWaalsContact C-N 3.26Å; I548-H550 PolarHBondContact O-N 2.78Å; I548-A551 WeakPolarHBondContact O-CA 3.45Å; I548-A551 WeakPolarHBondContact O-CB 3.38Å; I548-A551 PolarHBondContact O-N 3.01Å; I548-F552 HydrophobicContact CG2-CD2 4.08Å; I548-F552 HydrophobicContact CG2-CE2 3.59Å; I548-F552 VanDerWaalsContact O-CD2 3.25Å; I548-F552 WeakPolarHBondContact O-CD2 3.42Å; I548-F552 PolarHBondContact O-N 3.12Å
549	I	82.9	Confident	75.5	Confident	30 Å²	30	54 Å²	54	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-41.6	-179.9	-66.1	-177.7	0	0	0	111.2	L345 L541 L545 K546 A551 F552 V555	L345-I549 HydrophobicContact CD2-CB 4.31Å; L345-I549 HydrophobicContact CD2-CD1 4.41Å; L345-I549 HydrophobicContact CD2-CG1 3.67Å; L345-I549 HydrophobicContact CD2-CG2 4.36Å; L541-I549 HydrophobicContact CD1-CD1 3.09Å; L541-I549 HydrophobicContact CD1-CG1 4.36Å; L545-I549 WeakPolarHBondContact O-CG1 3.34Å; L545-I549 PolarHBondContact O-N 3.13Å; K546-I549 PolarHBondContact O-N 3.36Å; I549-A551 PolarHBondContact O-N 2.87Å; I549-F552 PolarHBondContact O-N 3.37Å; I549-V555 HydrophobicContact CG2-CG1 4.44Å; I549-V555 HydrophobicContact CG2-CG2 3.91Å
550	H	81.2	Confident	77.6	Confident	98 Å²	98	52.7 Å²	52.7	45%	0.454	27%	0.27	S	S	.	.	H	α-helix	trans	-69.3	-18.2	175.9	-76.6	-64	0	0	0	114.3	K546 R547 I548	K546-H550 PolarHBondContact O-CD2 3.49Å; K546-H550 PolarHBondContact O-N 3.28Å; R547-H550 PolarHBondContact O-N 2.62Å; I548-H550 VanDerWaalsContact C-N 3.26Å; I548-H550 PolarHBondContact O-N 2.78Å
551	A	84.2	Confident	79.4	Confident	16 Å²	16	49.1 Å²	49.1	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-84.6	-11.1	176.4	0	0	0	0	0	112.9	L459 R547 I548 I549	L459-A551 HydrophobicContact CB-CB 3.95Å; L459-A551 HydrophobicContact CD1-CB 3.88Å; R547-A551 PolarHBondContact O-N 3.48Å; I548-A551 WeakPolarHBondContact O-CA 3.45Å; I548-A551 WeakPolarHBondContact O-CB 3.38Å; I548-A551 PolarHBondContact O-N 3.01Å; I549-A551 PolarHBondContact O-N 2.87Å
552	F	88.8	Confident	80.9	Confident	2 Å²	2	48 Å²	48	1%	0.009	25%	0.246	C	C	.	.	S	Bend	trans	-84.6	142.1	172.8	-79.9	-88.7	0	0	0	111.5	A343 L344 L345 L444 L459 I493 A495 I548 I549 V555 Q684	A343-F552 HydrophobicContact CB-CD1 3.45Å; A343-F552 VanDerWaalsContact CB-CD1 3.45Å; A343-F552 HydrophobicContact CB-CE1 3.91Å; A343-F552 HydrophobicContact CB-CG 4.31Å; L344-F552 VanDerWaalsContact C-CD1 3.47Å; L344-F552 WeakPolarHBondContact O-CE1 3.42Å; L345-F552 HydrophobicContact CB-CB 4.06Å; L345-F552 HydrophobicContact CB-CD1 3.81Å; L345-F552 HydrophobicContact CB-CD2 3.93Å; L345-F552 HydrophobicContact CB-CE1 4.24Å; L345-F552 HydrophobicContact CB-CE2 4.34Å; L345-F552 HydrophobicContact CB-CG 3.67Å; L345-F552 HydrophobicContact CD1-CE2 4.28Å; L345-F552 HydrophobicContact CD1-CZ 4.47Å; L345-F552 HydrophobicContact CD2-CD2 4.12Å; L345-F552 HydrophobicContact CG-CD2 4.44Å; L444-F552 HydrophobicContact CD1-CE2 4.1Å; L444-F552 HydrophobicContact CD1-CZ 4.39Å; L459-F552 HydrophobicContact CD1-CD2 4.07Å; L459-F552 HydrophobicContact CD1-CE2 3.74Å; L459-F552 HydrophobicContact CD1-CZ 4Å; L459-F552 HydrophobicContact CD2-CD1 4.33Å; L459-F552 HydrophobicContact CD2-CE1 4.22Å; L459-F552 HydrophobicContact CD2-CZ 4.41Å; I493-F552 HydrophobicContact CG2-CE1 4.04Å; I493-F552 HydrophobicContact CG2-CZ 4.27Å; A495-F552 HydrophobicContact CB-CE1 3.92Å; A495-F552 HydrophobicContact CB-CE2 4.34Å; A495-F552 HydrophobicContact CB-CZ 3.48Å; A495-F552 VanDerWaalsContact CB-CZ 3.48Å; I548-F552 HydrophobicContact CG2-CD2 4.08Å; I548-F552 HydrophobicContact CG2-CE2 3.59Å; I548-F552 VanDerWaalsContact O-CD2 3.25Å; I548-F552 WeakPolarHBondContact O-CD2 3.42Å; I548-F552 PolarHBondContact O-N 3.12Å; I549-F552 PolarHBondContact O-N 3.37Å; F552-V555 HydrophobicContact CB-CG2 4.13Å; F552-Q684 PolarHBondContact O-NE2 3.21Å
553	D	89.6	Confident	82.4	Confident	13 Å²	13	42.4 Å²	42.4	7%	0.07	22%	0.221	C	C	.	.	S	Bend	trans	-77.5	-33.3	-176.1	-59.8	-56.1	0	0	0	112.3	P342 A343 S644	P342-D553 VanDerWaalsContact CA-OD2 3.24Å; P342-D553 WeakPolarHBondContact CA-OD2 3.34Å; P342-D553 HydrophobicContact CB-CB 4.02Å; A343-D553 PolarHBondContact N-OD2 3.05Å; A343-D553 PolarHBondContact O-N 2.81Å; A343-D553 VanDerWaalsContact O-N 3.13Å; D553-S644 WeakPolarHBondContact OD1-CB 3.37Å; D553-S644 PolarHBondContact OD1-OG 3.06Å
554	I	91.4	Very high	83.4	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.8	176.7	-51.3	176	0	0	0	109.1	L315 A343 L344 L345 V556 T648 L652 Y677 F680	L315-I554 HydrophobicContact CD1-CD1 3.68Å; L315-I554 HydrophobicContact CD2-CD1 4.37Å; L315-I554 HydrophobicContact CD2-CG2 3.9Å; A343-I554 PolarHBondContact O-N 3.41Å; A343-I554 VanDerWaalsContact O-N 3.08Å; L344-I554 HydrophobicContact CD1-CB 4.12Å; L344-I554 HydrophobicContact CD1-CG2 4.11Å; L345-I554 PolarHBondContact N-O 3.27Å; I554-V556 HydrophobicContact CG2-CG2 3.99Å; I554-T648 HydrophobicContact CD1-CG2 3.77Å; I554-T648 HydrophobicContact CG1-CG2 3.95Å; I554-L652 HydrophobicContact CD1-CD1 4.21Å; I554-Y677 HydrophobicContact CD1-CD2 4.49Å; I554-Y677 HydrophobicContact CG1-CD2 4.32Å; I554-Y677 HydrophobicContact CG1-CE2 4.13Å; I554-F680 HydrophobicContact CG2-CB 4.14Å
555	V	91.4	Very high	84.1	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.7	174.9	174.9	0	0	0	0	108.4	L345 V347 I549 F552 F680 N683 Q684	L345-V555 HydrophobicContact CB-CG2 4.09Å; L345-V555 HydrophobicContact CD2-CG1 4.41Å; L345-V555 HydrophobicContact CD2-CG2 4.14Å; L345-V555 CarbonylContact O-C 3.49Å; L345-V555 WeakPolarHBondContact O-CA 3.37Å; V347-V555 HydrophobicContact CG2-CG1 3.67Å; I549-V555 HydrophobicContact CG2-CG1 4.44Å; I549-V555 HydrophobicContact CG2-CG2 3.91Å; F552-V555 HydrophobicContact CB-CG2 4.13Å; V555-F680 VanDerWaalsContact O-O 3.14Å; V555-N683 HydrophobicContact CG1-CB 4.27Å; V555-N683 WeakPolarHBondContact O-CB 3.3Å; V555-N683 PolarHBondContact O-ND2 3.26Å; V555-N683 VanDerWaalsContact O-ND2 3.17Å; V555-Q684 HydrophobicContact CB-CG 3.68Å; V555-Q684 HydrophobicContact CG2-CG 3.78Å
556	V	91.5	Very high	84.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.9	-177.7	-179.5	0	0	0	0	109.4	L312 L315 L344 L345 L346 V347 I554 A561 F680	L312-V556 HydrophobicContact CD1-CG1 4.2Å; L312-V556 HydrophobicContact CD1-CG2 4.39Å; L312-V556 HydrophobicContact CD2-CG1 4.46Å; L315-V556 HydrophobicContact CD2-CG2 3.99Å; L344-V556 HydrophobicContact CD1-CG2 3.93Å; L345-V556 PolarHBondContact O-N 3.49Å; L346-V556 CarbonylContact C-O 3.58Å; L346-V556 WeakPolarHBondContact CA-O 3.32Å; L346-V556 HydrophobicContact CD2-CB 3.6Å; L346-V556 HydrophobicContact CD2-CG1 4.15Å; L346-V556 HydrophobicContact CD2-CG2 4.19Å; V347-V556 PolarHBondContact N-O 3.41Å; I554-V556 HydrophobicContact CG2-CG2 3.99Å; V556-A561 HydrophobicContact CG1-CB 3.66Å; V556-F680 HydrophobicContact CB-CD1 4.1Å; V556-F680 HydrophobicContact CB-CE1 4.37Å; V556-F680 HydrophobicContact CG1-CD1 3.61Å; V556-F680 HydrophobicContact CG1-CE1 3.46Å; V556-F680 VanDerWaalsContact CG1-CE1 3.46Å; V556-F680 HydrophobicContact CG1-CG 4.43Å; V556-F680 HydrophobicContact CG1-CZ 4.18Å; V556-F680 HydrophobicContact CG2-CB 4.06Å; V556-F680 HydrophobicContact CG2-CD1 3.73Å; V556-F680 HydrophobicContact CG2-CD2 4.05Å; V556-F680 HydrophobicContact CG2-CE1 4.13Å; V556-F680 HydrophobicContact CG2-CE2 4.41Å; V556-F680 HydrophobicContact CG2-CG 3.68Å; V556-F680 HydrophobicContact CG2-CZ 4.45Å
557	N	89	Confident	84.5	Confident	36 Å²	36	50.2 Å²	50.2	19%	0.193	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.1	165	-175.4	-3.3	0	0	0	109.4	V347 E559 D560 A561 N683	V347-N557 WeakPolarHBondContact O-CA 3.31Å; V347-N557 PolarHBondContact O-OD1 3.25Å; N557-E559 VanDerWaalsContact C-N 3.34Å; N557-E559 PolarHBondContact O-N 3.44Å; N557-E559 PolarHBondContact OD1-N 2.85Å; N557-D560 HydrophobicContact CB-CB 4.18Å; N557-D560 WeakPolarHBondContact CB-OD2 3.46Å; N557-D560 PolarHBondContact ND2-OD2 2.96Å; N557-A561 VanDerWaalsContact O-CB 3.23Å; N557-A561 WeakPolarHBondContact O-CB 3.41Å; N557-A561 PolarHBondContact O-N 3.17Å; N557-N683 PolarHBondContact N-ND2 2.83Å
558	T	86.9	Confident	84.7	Confident	7 Å²	7	41.2 Å²	41.2	4%	0.043	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-32	-176.7	55.8	0	0	0	0	112.7	L346 V347 G348 D352 A561 S562	L346-T558 HydrophobicContact CB-CG2 3.94Å; L346-T558 HydrophobicContact CD1-CG2 4.04Å; L346-T558 HydrophobicContact CG-CG2 4.43Å; V347-T558 PolarHBondContact O-N 2.92Å; V347-T558 PolarHBondContact O-OG1 2.97Å; G348-T558 WeakPolarHBondContact CA-OG1 3.44Å; D352-T558 PolarHBondContact OD2-OG1 3.45Å; T558-A561 PolarHBondContact O-N 2.93Å; T558-S562 PolarHBondContact O-N 3.44Å; T558-S562 VanDerWaalsContact O-N 3.09Å
559	E	83.1	Confident	84.7	Confident	88 Å²	88	46 Å²	46	41%	0.411	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-48.9	177.2	-64.7	-171.4	160.9	0	0	110.7	S349 N557 A561 S562	S349-E559 WeakPolarHBondContact CB-OE1 3.34Å; S349-E559 VanDerWaalsContact OG-CD 3.25Å; S349-E559 PolarHBondContact OG-OE1 3.14Å; N557-E559 VanDerWaalsContact C-N 3.34Å; N557-E559 PolarHBondContact O-N 3.44Å; N557-E559 PolarHBondContact OD1-N 2.85Å; E559-A561 VanDerWaalsContact C-N 3.33Å; E559-A561 PolarHBondContact O-N 3.45Å; E559-S562 WeakPolarHBondContact O-CB 3.19Å; E559-S562 PolarHBondContact O-N 2.92Å; E559-S562 PolarHBondContact O-OG 3.42Å
560	D	83.6	Confident	84.8	Confident	87 Å²	87	46.7 Å²	46.7	47%	0.465	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-39.6	177.8	-61.3	-31.2	0	0	0	111.2	N557 S562 G563 H696	N557-D560 HydrophobicContact CB-CB 4.18Å; N557-D560 WeakPolarHBondContact CB-OD2 3.46Å; N557-D560 PolarHBondContact ND2-OD2 2.96Å; D560-S562 PolarHBondContact O-N 2.94Å; D560-G563 PolarHBondContact O-N 3.26Å; D560-H696 PolarHBondContact O-CD2 3.4Å
561	A	86.3	Confident	85	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-69.1	-17.8	-179.9	0	0	0	0	0	114.1	L312 V556 N557 T558 E559 G563 F680 H696	L312-A561 HydrophobicContact CB-CB 4.31Å; L312-A561 HydrophobicContact CD2-CB 4.31Å; V556-A561 HydrophobicContact CG1-CB 3.66Å; N557-A561 VanDerWaalsContact O-CB 3.23Å; N557-A561 WeakPolarHBondContact O-CB 3.41Å; N557-A561 PolarHBondContact O-N 3.17Å; T558-A561 PolarHBondContact O-N 2.93Å; E559-A561 VanDerWaalsContact C-N 3.33Å; E559-A561 PolarHBondContact O-N 3.45Å; A561-G563 VanDerWaalsContact C-N 3.32Å; A561-F680 HydrophobicContact CB-CE1 3.98Å; A561-H696 WeakPolarHBondContact O-CB 3.45Å; A561-H696 PolarHBondContact O-ND1 3.09Å
562	S	83.6	Confident	84.9	Confident	11 Å²	11	44.5 Å²	44.5	8%	0.077	24%	0.244	C	C	.	.	H	α-helix	trans	-72.8	-26.9	179.1	80.2	0	0	0	0	112.5	F309 T558 E559 D560	F309-S562 VanDerWaalsContact CZ-CB 3.48Å; T558-S562 PolarHBondContact O-N 3.44Å; T558-S562 VanDerWaalsContact O-N 3.09Å; E559-S562 WeakPolarHBondContact O-CB 3.19Å; E559-S562 PolarHBondContact O-N 2.92Å; E559-S562 PolarHBondContact O-OG 3.42Å; D560-S562 PolarHBondContact O-N 2.94Å
563	G	80.3	Confident	84.8	Confident	18 Å²	18	46.8 Å²	46.8	19%	0.186	26%	0.263	C	S	.	.			trans	89.9	-151.6	-173.6	0	0	0	0	0	112.7	D560 A561 I565 H696	D560-G563 PolarHBondContact O-N 3.26Å; A561-G563 VanDerWaalsContact C-N 3.32Å; G563-I565 PolarHBondContact O-N 3.39Å; G563-H696 VanDerWaalsContact CA-CB 3.49Å
564	P	80.9	Confident	84.7	Confident	74 Å²	74	50.1 Å²	50.1	48%	0.481	28%	0.281	S	S	.	.			trans	-64.2	103.4	-174.8	-21.9	33.3	0	0	0	112.7	K566 I567 M568	P564-K566 PolarHBondContact O-N 3.38Å; P564-I567 HydrophobicContact CB-CD1 4.19Å; P564-I567 HydrophobicContact CB-CG1 4.41Å; P564-I567 PolarHBondContact O-N 2.91Å; P564-M568 PolarHBondContact O-N 3.37Å
565	I	77.7	Confident	84.4	Confident	93 Å²	93	51.5 Å²	51.5	48%	0.477	29%	0.287	S	S	.	.	H	α-helix	trans	-41.9	-46.9	-177	-87.5	164.1	0	0	0	113.4	G563 I567 M568 D569	G563-I565 PolarHBondContact O-N 3.39Å; I565-I567 VanDerWaalsContact C-N 3.31Å; I565-I567 PolarHBondContact O-N 3.48Å; I565-M568 PolarHBondContact O-N 3.39Å; I565-M568 VanDerWaalsContact O-N 3.08Å; I565-D569 PolarHBondContact O-N 2.87Å
566	K	79.2	Confident	84	Confident	191 Å²	191	54.8 Å²	54.8	83%	0.83	31%	0.309	S	S	*	.	H	α-helix	trans	-59.8	-38.6	-177.6	-66.9	-176.5	-180	178.9	0	113.6	P564	P564-K566 PolarHBondContact O-N 3.38Å
567	I	81.5	Confident	83.8	Confident	86 Å²	86	60.3 Å²	60.3	44%	0.441	34%	0.338	S	S	.	.	H	α-helix	trans	-75.9	-41.4	177.5	-60.5	175.8	0	0	0	108.6	P564 I565 G570 L571 Y697	P564-I567 HydrophobicContact CB-CD1 4.19Å; P564-I567 HydrophobicContact CB-CG1 4.41Å; P564-I567 PolarHBondContact O-N 2.91Å; I565-I567 VanDerWaalsContact C-N 3.31Å; I565-I567 PolarHBondContact O-N 3.48Å; I567-G570 PolarHBondContact O-N 2.88Å; I567-L571 HydrophobicContact CG2-CD1 3.83Å; I567-L571 HydrophobicContact CG2-CG 4.3Å; I567-L571 WeakPolarHBondContact O-CG 3.38Å; I567-L571 PolarHBondContact O-N 3.17Å; I567-L571 VanDerWaalsContact O-N 3.11Å; I567-Y697 HydrophobicContact CG2-CE1 4.18Å
568	M	81.4	Confident	83.6	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-66.6	-43.8	-172	-149.2	33.4	-98.8	0	0	112.2	T308 F309 P564 I565 G570 L571 L572	T308-M568 HydrophobicContact CG2-CE 3.73Å; T308-M568 HydrophobicContact CG2-SD 3.53Å; T308-M568 VanDerWaalsContact CG2-SD 3.53Å; F309-M568 HydrophobicContact CE2-CE 4.14Å; F309-M568 HydrophobicContact CE2-SD 4.5Å; P564-M568 PolarHBondContact O-N 3.37Å; I565-M568 PolarHBondContact O-N 3.39Å; I565-M568 VanDerWaalsContact O-N 3.08Å; M568-G570 VanDerWaalsContact C-N 3.3Å; M568-G570 PolarHBondContact O-N 3.15Å; M568-L571 HydrophobicContact CE-CB 4.22Å; M568-L571 PolarHBondContact O-N 2.95Å; M568-L571 VanDerWaalsContact O-N 3.13Å; M568-L572 HydrophobicContact CE-CB 4.41Å; M568-L572 HydrophobicContact CE-CD1 3.61Å; M568-L572 HydrophobicContact CE-CD2 3.66Å; M568-L572 HydrophobicContact CE-CG 3.24Å; M568-L572 PolarHBondContact O-N 3.34Å
569	D	83.2	Confident	83.3	Confident	101 Å²	101	62.2 Å²	62.2	54%	0.54	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-43.2	176.4	-71.4	-15.2	0	0	0	112.1	I565 L572 A573	I565-D569 PolarHBondContact O-N 2.87Å; D569-L572 PolarHBondContact O-N 2.93Å; D569-A573 WeakPolarHBondContact O-CB 3.16Å; D569-A573 PolarHBondContact O-N 3.37Å
570	G	86.3	Confident	83.2	Confident	45 Å²	45	61.9 Å²	61.9	46%	0.464	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-42.8	176.6	0	0	0	0	0	112.5	I567 M568 D574	I567-G570 PolarHBondContact O-N 2.88Å; M568-G570 VanDerWaalsContact C-N 3.3Å; M568-G570 PolarHBondContact O-N 3.15Å; G570-D574 WeakPolarHBondContact O-CB 3.49Å; G570-D574 PolarHBondContact O-N 3.49Å
571	L	85.2	Confident	82.9	Confident	26 Å²	26	61.4 Å²	61.4	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-69.1	-36.7	178.6	-65.8	175.3	0	0	0	112.7	K305 T308 I567 M568 F575 Y697	K305-L571 HydrophobicContact CD-CB 4.41Å; K305-L571 HydrophobicContact CD-CD2 3.99Å; T308-L571 HydrophobicContact CG2-CD1 4.04Å; I567-L571 HydrophobicContact CG2-CD1 3.83Å; I567-L571 HydrophobicContact CG2-CG 4.3Å; I567-L571 WeakPolarHBondContact O-CG 3.38Å; I567-L571 PolarHBondContact O-N 3.17Å; I567-L571 VanDerWaalsContact O-N 3.11Å; M568-L571 HydrophobicContact CE-CB 4.22Å; M568-L571 PolarHBondContact O-N 2.95Å; M568-L571 VanDerWaalsContact O-N 3.13Å; L571-F575 VanDerWaalsContact O-CB 3.22Å; L571-F575 WeakPolarHBondContact O-CB 3.33Å; L571-F575 PolarHBondContact O-N 3.14Å; L571-Y697 HydrophobicContact CD1-CD2 4.28Å; L571-Y697 HydrophobicContact CD1-CE2 3.45Å; L571-Y697 VanDerWaalsContact CD1-CE2 3.45Å
572	L	82.8	Confident	82.1	Confident	41 Å²	41	65.7 Å²	65.7	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-68.9	-43.1	174.9	-72.5	164.4	0	0	0	111.2	T304 L354 M568 D569 D574 F575 C576	T304-L572 HydrophobicContact CG2-CD2 4.38Å; L354-L572 HydrophobicContact CD2-CD1 4.43Å; L354-L572 HydrophobicContact CD2-CD2 4.31Å; M568-L572 HydrophobicContact CE-CB 4.41Å; M568-L572 HydrophobicContact CE-CD1 3.61Å; M568-L572 HydrophobicContact CE-CD2 3.66Å; M568-L572 HydrophobicContact CE-CG 3.24Å; M568-L572 PolarHBondContact O-N 3.34Å; D569-L572 PolarHBondContact O-N 2.93Å; L572-D574 PolarHBondContact O-N 2.94Å; L572-F575 PolarHBondContact O-N 3.17Å; L572-C576 WeakPolarHBondContact O-CB 3.39Å; L572-C576 PolarHBondContact O-N 2.97Å; L572-C576 PolarHBondContact O-SG 2.97Å
573	A	86.1	Confident	81.2	Confident	50 Å²	50	70.6 Å²	70.6	41%	0.413	41%	0.411	S	S	.	.	H	α-helix	trans	-58.9	-48.9	176	0	0	0	0	0	110.9	D569 F575 C576 L577	D569-A573 WeakPolarHBondContact O-CB 3.16Å; D569-A573 PolarHBondContact O-N 3.37Å; A573-F575 VanDerWaalsContact C-N 3.34Å; A573-F575 PolarHBondContact O-N 3.3Å; A573-C576 PolarHBondContact O-N 3.49Å; A573-L577 WeakPolarHBondContact O-CB 3.49Å; A573-L577 WeakPolarHBondContact O-CG 3.29Å; A573-L577 PolarHBondContact O-N 3.49Å
574	D	87.1	Confident	80	Confident	83 Å²	83	75.8 Å²	75.8	44%	0.444	43%	0.43	S	S	.	.	H	α-helix	trans	-58.6	-44	175.3	-178.9	45	0	0	0	111.9	K305 G570 L572 S578	K305-D574 IonicContact NZ-OD2 2.92Å; K305-D574 PolarHBondContact NZ-OD2 3.36Å; G570-D574 WeakPolarHBondContact O-CB 3.49Å; G570-D574 PolarHBondContact O-N 3.49Å; L572-D574 PolarHBondContact O-N 2.94Å; D574-S578 VanDerWaalsContact O-CB 3.26Å; D574-S578 WeakPolarHBondContact O-CB 3.15Å; D574-S578 PolarHBondContact O-N 3.14Å; D574-S578 PolarHBondContact O-OG 3.25Å
575	F	85.2	Confident	78.8	Confident	35 Å²	35	76.2 Å²	76.2	15%	0.154	43%	0.431	C	S	.	.	H	α-helix	trans	-63.8	-47.1	177.4	-175.6	-96	0	0	0	112.6	D301 V303 K305 L571 L572 A573 L577 S578 A579	D301-F575 VanDerWaalsContact O-CE2 3.28Å; D301-F575 WeakPolarHBondContact O-CE2 3.4Å; D301-F575 WeakPolarHBondContact O-CZ 3.31Å; V303-F575 WeakPolarHBondContact O-CE1 3.45Å; K305-F575 HydrophobicContact CB-CD2 4.01Å; L571-F575 VanDerWaalsContact O-CB 3.22Å; L571-F575 WeakPolarHBondContact O-CB 3.33Å; L571-F575 PolarHBondContact O-N 3.14Å; L572-F575 PolarHBondContact O-N 3.17Å; A573-F575 VanDerWaalsContact C-N 3.34Å; A573-F575 PolarHBondContact O-N 3.3Å; F575-L577 PolarHBondContact O-N 2.92Å; F575-S578 WeakPolarHBondContact CA-OG 3.42Å; F575-S578 PolarHBondContact O-N 2.97Å; F575-S578 PolarHBondContact O-OG 3.06Å; F575-A579 VanDerWaalsContact O-CB 3.23Å; F575-A579 WeakPolarHBondContact O-CB 3.48Å; F575-A579 PolarHBondContact O-N 3.45Å
576	C	83.7	Confident	77.4	Confident	72 Å²	72	75.4 Å²	75.4	49%	0.486	43%	0.427	S	S	.	.	H	α-helix	trans	-64.1	-41	178.8	-71.1	0	0	0	0	112.1	L572 A573 T580	L572-C576 WeakPolarHBondContact O-CB 3.39Å; L572-C576 PolarHBondContact O-N 2.97Å; L572-C576 PolarHBondContact O-SG 2.97Å; A573-C576 PolarHBondContact O-N 3.49Å; C576-T580 WeakPolarHBondContact O-CB 3.45Å; C576-T580 PolarHBondContact O-N 2.84Å; C576-T580 VanDerWaalsContact O-N 3.11Å; C576-T580 PolarHBondContact O-OG1 3.43Å
577	L	87.4	Confident	75.9	Confident	117 Å²	117	74.8 Å²	74.8	61%	0.613	42%	0.424	S	S	*	.	H	α-helix	trans	-66.2	-49.2	177	-70.2	171.5	0	0	0	111.1	A573 F575 A579 T580 C581	A573-L577 WeakPolarHBondContact O-CB 3.49Å; A573-L577 WeakPolarHBondContact O-CG 3.29Å; A573-L577 PolarHBondContact O-N 3.49Å; F575-L577 PolarHBondContact O-N 2.92Å; L577-A579 PolarHBondContact O-N 2.78Å; L577-T580 PolarHBondContact O-N 2.93Å; L577-C581 PolarHBondContact O-N 3.26Å; L577-C581 PolarHBondContact O-SG 3.04Å; L577-C581 VanDerWaalsContact O-SG 3.38Å
578	S	84.4	Confident	74.1	Confident	45 Å²	45	81.1 Å²	81.1	32%	0.315	44%	0.444	S	S	.	.	H	α-helix	trans	-62.9	-40.8	179	58.8	0	0	0	0	112.6	D574 F575 T580 C581 N582	D574-S578 VanDerWaalsContact O-CB 3.26Å; D574-S578 WeakPolarHBondContact O-CB 3.15Å; D574-S578 PolarHBondContact O-N 3.14Å; D574-S578 PolarHBondContact O-OG 3.25Å; F575-S578 WeakPolarHBondContact CA-OG 3.42Å; F575-S578 PolarHBondContact O-N 2.97Å; F575-S578 PolarHBondContact O-OG 3.06Å; S578-T580 VanDerWaalsContact C-N 3.32Å; S578-T580 PolarHBondContact O-N 3.49Å; S578-C581 PolarHBondContact O-N 2.86Å; S578-N582 VanDerWaalsContact O-CB 3.3Å; S578-N582 WeakPolarHBondContact O-CB 3.41Å; S578-N582 PolarHBondContact O-N 2.63Å; S578-N582 PolarHBondContact O-ND2 3.02Å
579	A	80	Confident	72.2	Confident	37 Å²	37	83.7 Å²	83.7	31%	0.306	46%	0.462	S	S	.	.	H	α-helix	trans	-60.4	-41.5	173.9	0	0	0	0	0	111.9	F575 L577 N582 L583	F575-A579 VanDerWaalsContact O-CB 3.23Å; F575-A579 WeakPolarHBondContact O-CB 3.48Å; F575-A579 PolarHBondContact O-N 3.45Å; L577-A579 PolarHBondContact O-N 2.78Å; A579-N582 PolarHBondContact O-N 2.7Å; A579-L583 VanDerWaalsContact O-CG 3.29Å; A579-L583 WeakPolarHBondContact O-CG 3.48Å; A579-L583 PolarHBondContact O-N 3.5Å
580	T	80.1	Confident	70	Confident	82 Å²	82	82.9 Å²	82.9	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-45.3	178.5	-54.3	0	0	0	0	111.5	C576 L577 S578 N582 L583 E584	C576-T580 WeakPolarHBondContact O-CB 3.45Å; C576-T580 PolarHBondContact O-N 2.84Å; C576-T580 VanDerWaalsContact O-N 3.11Å; C576-T580 PolarHBondContact O-OG1 3.43Å; L577-T580 PolarHBondContact O-N 2.93Å; S578-T580 VanDerWaalsContact C-N 3.32Å; S578-T580 PolarHBondContact O-N 3.49Å; T580-N582 VanDerWaalsContact C-N 3.33Å; T580-N582 PolarHBondContact O-N 3.45Å; T580-L583 PolarHBondContact O-N 2.83Å; T580-E584 PolarHBondContact O-N 3.23Å
581	C	79.2	Confident	67.6	Low	77 Å²	77	88.8 Å²	88.8	52%	0.52	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-37.1	175.5	-65.4	0	0	0	0	112.6	L577 S578 E584 T585	L577-C581 PolarHBondContact O-N 3.26Å; L577-C581 PolarHBondContact O-SG 3.04Å; L577-C581 VanDerWaalsContact O-SG 3.38Å; S578-C581 PolarHBondContact O-N 2.86Å; C581-E584 PolarHBondContact O-N 3.48Å; C581-T585 PolarHBondContact O-N 3.31Å; C581-T585 PolarHBondContact O-OG1 2.93Å
582	N	69.1	Low	65.4	Low	91 Å²	91	91 Å²	91	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-69.1	-34.5	177.3	-73.9	-19.7	0	0	0	112.2	S578 A579 T580 E584 T585 M586	S578-N582 VanDerWaalsContact O-CB 3.3Å; S578-N582 WeakPolarHBondContact O-CB 3.41Å; S578-N582 PolarHBondContact O-N 2.63Å; S578-N582 PolarHBondContact O-ND2 3.02Å; A579-N582 PolarHBondContact O-N 2.7Å; T580-N582 VanDerWaalsContact C-N 3.33Å; T580-N582 PolarHBondContact O-N 3.45Å; N582-E584 PolarHBondContact O-N 3.38Å; N582-T585 VanDerWaalsContact CA-OG1 3.31Å; N582-T585 WeakPolarHBondContact CA-OG1 3.26Å; N582-T585 PolarHBondContact O-N 3.4Å; N582-T585 PolarHBondContact O-OG1 3Å; N582-M586 VanDerWaalsContact O-CB 3.31Å; N582-M586 WeakPolarHBondContact O-CB 3.44Å; N582-M586 WeakPolarHBondContact O-CG 3.47Å; N582-M586 PolarHBondContact O-N 3.07Å
583	L	63.4	Low	63.8	Low	113 Å²	113	93.1 Å²	93.1	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-62	-33.9	175	-76	166.8	0	0	0	112.3	A579 T580 K587	A579-L583 VanDerWaalsContact O-CG 3.29Å; A579-L583 WeakPolarHBondContact O-CG 3.48Å; A579-L583 PolarHBondContact O-N 3.5Å; T580-L583 PolarHBondContact O-N 2.83Å; L583-K587 WeakPolarHBondContact O-CG 3.44Å; L583-K587 PolarHBondContact O-N 3.45Å
584	E	56.7	Low	62.3	Low	128 Å²	128	95.1 Å²	95.1	60%	0.598	53%	0.53	S	S	*	.	H	α-helix	trans	-68.7	-40.4	175.5	-65.5	-174.4	166	0	0	111.9	T580 C581 N582 Y588	T580-E584 PolarHBondContact O-N 3.23Å; C581-E584 PolarHBondContact O-N 3.48Å; N582-E584 PolarHBondContact O-N 3.38Å; E584-Y588 WeakPolarHBondContact O-CD2 3.37Å
585	T	55.1	Low	61.1	Low	82 Å²	82	94.7 Å²	94.7	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-75.1	-32.8	177.4	34.1	0	0	0	0	113.2	C581 N582 Y588 S589	C581-T585 PolarHBondContact O-N 3.31Å; C581-T585 PolarHBondContact O-OG1 2.93Å; N582-T585 VanDerWaalsContact CA-OG1 3.31Å; N582-T585 WeakPolarHBondContact CA-OG1 3.26Å; N582-T585 PolarHBondContact O-N 3.4Å; N582-T585 PolarHBondContact O-OG1 3Å; T585-Y588 PolarHBondContact O-N 3.18Å; T585-S589 PolarHBondContact O-N 2.85Å; T585-S589 VanDerWaalsContact O-N 3.08Å; T585-S589 PolarHBondContact O-OG 3.05Å
586	M	47.3	Very low	60.3	Low	77 Å²	77	95.2 Å²	95.2	38%	0.379	54%	0.536	S	S	.	.	H	α-helix	trans	-69.8	-28.3	175.5	-70.8	-72.3	-167.4	0	0	113.2	N582 Y588 S589 K591	N582-M586 VanDerWaalsContact O-CB 3.31Å; N582-M586 WeakPolarHBondContact O-CB 3.44Å; N582-M586 WeakPolarHBondContact O-CG 3.47Å; N582-M586 PolarHBondContact O-N 3.07Å; M586-Y588 PolarHBondContact O-N 2.8Å; M586-S589 CarbonylContact C-O 3.54Å; M586-S589 WeakPolarHBondContact CA-O 3.47Å; M586-S589 CarbonylContact O-C 3.54Å; M586-S589 VanDerWaalsContact O-C 3.31Å; M586-S589 PolarHBondContact O-N 3.3Å; M586-K591 WeakPolarHBondContact CE-O 3.39Å; M586-K591 VanDerWaalsContact SD-C 3.54Å; M586-K591 HydrophobicContact SD-CB 4.38Å
587	K	48	Very low	59.9	Low	178 Å²	178	94.3 Å²	94.3	77%	0.774	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.3	171.1	-80.9	175.5	-179.5	174.3	0	112.7	L583	L583-K587 WeakPolarHBondContact O-CG 3.44Å; L583-K587 PolarHBondContact O-N 3.45Å
588	Y	44.5	Very low	59.4	Low	219 Å²	219	92.8 Å²	92.8	86%	0.859	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-18.5	178	-65.7	-74.2	0	0	0	113.9	E584 T585 M586	E584-Y588 WeakPolarHBondContact O-CD2 3.37Å; T585-Y588 PolarHBondContact O-N 3.18Å; M586-Y588 PolarHBondContact O-N 2.8Å
589	S	40.5	Very low	59.3	Low	59 Å²	59	92 Å²	92	41%	0.413	51%	0.506	S	S	.	.	S	Bend	trans	-131.4	107.5	174.6	72.7	0	0	0	0	109.5	T585 M586 K591	T585-S589 PolarHBondContact O-N 2.85Å; T585-S589 VanDerWaalsContact O-N 3.08Å; T585-S589 PolarHBondContact O-OG 3.05Å; M586-S589 CarbonylContact C-O 3.54Å; M586-S589 WeakPolarHBondContact CA-O 3.47Å; M586-S589 CarbonylContact O-C 3.54Å; M586-S589 VanDerWaalsContact O-C 3.31Å; M586-S589 PolarHBondContact O-N 3.3Å; S589-K591 PolarHBondContact O-N 3.41Å
590	G	38.3	Very low	59.5	Low	84 Å²	84	90.6 Å²	90.6	87%	0.866	49%	0.493	S	S	*	.			trans	-69	44.7	-171.4	0	0	0	0	0	116.6
591	K	35.2	Very low	59.6	Low	169 Å²	169	88.8 Å²	88.8	74%	0.735	48%	0.483	S	S	*	.			trans	-102.5	70.8	-179.3	-73.5	-174.4	176	-179.7	0	111.6	M586 S589	M586-K591 WeakPolarHBondContact CE-O 3.39Å; M586-K591 VanDerWaalsContact SD-C 3.54Å; M586-K591 HydrophobicContact SD-CB 4.38Å; S589-K591 PolarHBondContact O-N 3.41Å
592	S	40	Very low	59.7	Low	73 Å²	73	85.2 Å²	85.2	51%	0.51	46%	0.459	S	S	.	.			trans	-58.1	155.1	176.9	52.7	0	0	0	0	113.3	L594	S592-L594 PolarHBondContact O-N 3.01Å
593	S	49.5	Very low	60.4	Low	84 Å²	84	81.5 Å²	81.5	59%	0.587	44%	0.439	S	S	*	.	S	Bend	trans	-61.9	27.6	173.9	57	0	0	0	0	115
594	L	54.2	Low	61.4	Low	92 Å²	92	76.8 Å²	76.8	48%	0.482	42%	0.415	S	S	.	.	H	α-helix	trans	-63.4	-27.3	-174.1	-132.5	75.5	0	0	0	116.9	S592	S592-L594 PolarHBondContact O-N 3.01Å
595	P	61.5	Low	62.4	Low	75 Å²	75	74.4 Å²	74.4	49%	0.487	41%	0.406	S	S	.	.	H	α-helix	trans	-70.6	-44.1	-171.2	23	-30	0	0	0	113.2	M597 K598 I599	P595-M597 VanDerWaalsContact C-N 3.33Å; P595-M597 PolarHBondContact O-N 3.28Å; P595-K598 PolarHBondContact O-N 3.21Å; P595-I599 WeakPolarHBondContact O-CG1 3.39Å; P595-I599 PolarHBondContact O-N 2.94Å
596	N	69	Low	63.6	Low	45 Å²	45	72 Å²	72	24%	0.241	40%	0.395	C	S	.	.	H	α-helix	trans	-64.1	-39.5	-177	-68.1	-3.5	0	0	0	111.8	D301 K598 I599 Y600	D301-N596 PolarHBondContact OD2-ND2 3.13Å; N596-K598 VanDerWaalsContact C-N 3.31Å; N596-K598 PolarHBondContact O-N 3Å; N596-I599 WeakPolarHBondContact O-CB 2.91Å; N596-I599 PolarHBondContact O-N 3.06Å; N596-I599 VanDerWaalsContact O-N 3.14Å; N596-Y600 VanDerWaalsContact O-CD2 3.23Å; N596-Y600 WeakPolarHBondContact O-CD2 3.48Å; N596-Y600 PolarHBondContact O-N 3.15Å
597	M	74.1	Confident	65.2	Low	53 Å²	53	68.7 Å²	68.7	26%	0.261	38%	0.379	S	S	.	.	H	α-helix	trans	-57.6	-41.8	176.5	-73.5	-73.2	151.2	0	0	112.7	N302 F365 P595 Y600 S601	N302-M597 HydrophobicContact CB-CE 4.24Å; N302-M597 WeakPolarHBondContact ND2-CE 3.4Å; N302-M597 WeakPolarHBondContact OD1-CE 3.44Å; F365-M597 HydrophobicContact CE1-SD 3.52Å; F365-M597 VanDerWaalsContact CE1-SD 3.52Å; F365-M597 HydrophobicContact CE2-CE 4.44Å; F365-M597 HydrophobicContact CE2-SD 4.27Å; F365-M597 HydrophobicContact CZ-CE 3.76Å; F365-M597 HydrophobicContact CZ-SD 3.31Å; F365-M597 WeakPolarHBondContact CZ-SD 3.32Å; P595-M597 VanDerWaalsContact C-N 3.33Å; P595-M597 PolarHBondContact O-N 3.28Å; M597-Y600 PolarHBondContact O-N 2.87Å; M597-S601 PolarHBondContact O-N 2.88Å; M597-S601 VanDerWaalsContact O-N 3.1Å
598	K	77.3	Confident	66.6	Low	85 Å²	85	64.3 Å²	64.3	37%	0.37	36%	0.36	S	S	.	.	H	α-helix	trans	-70.6	-32.4	178.5	-67.4	-175.5	-178.1	-178	0	112.6	W269 P595 N596 S601 S602	W269-K598 HydrophobicContact CD2-CB 4.29Å; W269-K598 HydrophobicContact CE3-CB 4.39Å; W269-K598 HydrophobicContact CH2-CB 4.17Å; W269-K598 HydrophobicContact CH2-CD 4.02Å; W269-K598 HydrophobicContact CZ2-CB 4.05Å; W269-K598 HydrophobicContact CZ2-CD 3.4Å; W269-K598 HydrophobicContact CZ2-CG 4.37Å; W269-K598 HydrophobicContact CZ3-CB 4.32Å; P595-K598 PolarHBondContact O-N 3.21Å; N596-K598 VanDerWaalsContact C-N 3.31Å; N596-K598 PolarHBondContact O-N 3Å; K598-S601 WeakPolarHBondContact CA-OG 3.45Å; K598-S601 PolarHBondContact O-OG 2.64Å; K598-S602 WeakPolarHBondContact O-CB 3.49Å; K598-S602 PolarHBondContact O-N 3.4Å; K598-S602 VanDerWaalsContact O-N 3.14Å; K598-S602 PolarHBondContact O-OG 2.94Å
599	I	82.2	Confident	67.9	Low	30 Å²	30	57.4 Å²	57.4	15%	0.154	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-49.1	175.7	-65	167.1	0	0	0	109.7	L273 I276 F295 P595 N596 S602 L603	L273-I599 HydrophobicContact CD2-CG2 3.98Å; I276-I599 HydrophobicContact CD1-CB 4.34Å; I276-I599 HydrophobicContact CD1-CD1 3.59Å; I276-I599 HydrophobicContact CD1-CG1 3.61Å; I276-I599 HydrophobicContact CD1-CG2 3.8Å; F295-I599 HydrophobicContact CE1-CG2 4.25Å; P595-I599 WeakPolarHBondContact O-CG1 3.39Å; P595-I599 PolarHBondContact O-N 2.94Å; N596-I599 WeakPolarHBondContact O-CB 2.91Å; N596-I599 PolarHBondContact O-N 3.06Å; N596-I599 VanDerWaalsContact O-N 3.14Å; I599-S602 PolarHBondContact O-N 2.9Å; I599-L603 WeakPolarHBondContact O-CB 3.48Å; I599-L603 PolarHBondContact O-N 3.17Å
600	Y	85.1	Confident	69.6	Low	7 Å²	7	56.4 Å²	56.4	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-67.7	-39	-179.8	-74.7	-72.6	0	0	0	113.4	F295 M298 F299 L317 F365 N596 M597 S602 L603 L604	F295-Y600 HydrophobicContact CB-CE1 4.27Å; F295-Y600 AromaticContact CD1-CE1 3.91Å; F295-Y600 HydrophobicContact CD1-CE1 3.91Å; F295-Y600 PolarHBondContact O-OH 2.88Å; M298-Y600 VanDerWaalsContact CB-OH 3.32Å; M298-Y600 WeakPolarHBondContact CB-OH 3.49Å; M298-Y600 PolarHBondContact O-OH 2.93Å; F299-Y600 VanDerWaalsContact CA-OH 3.29Å; F299-Y600 WeakPolarHBondContact CA-OH 3.47Å; F299-Y600 HydrophobicContact CB-CE1 4.3Å; F299-Y600 AromaticContact CD2-CD1 3.69Å; F299-Y600 HydrophobicContact CD2-CD1 3.69Å; F299-Y600 HydrophobicContact CD2-CD2 4.3Å; F299-Y600 AromaticContact CD2-CE1 3.53Å; F299-Y600 HydrophobicContact CD2-CE1 3.53Å; F299-Y600 HydrophobicContact CD2-CE2 4.18Å; F299-Y600 HydrophobicContact CD2-CG 4.09Å; F299-Y600 AromaticContact CD2-CZ 3.8Å; F299-Y600 HydrophobicContact CE2-CD1 4.04Å; F299-Y600 HydrophobicContact CE2-CE1 4.33Å; F299-Y600 HydrophobicContact CE2-CG 4.26Å; F299-Y600 HydrophobicContact CG-CE1 4.33Å; F299-Y600 PolarHBondContact N-OH 2.83Å; L317-Y600 HydrophobicContact CD1-CD1 4.4Å; F365-Y600 VanDerWaalsContact CE1-CB 3.43Å; F365-Y600 HydrophobicContact CE1-CG 4.33Å; F365-Y600 HydrophobicContact CZ-CD2 4.3Å; F365-Y600 HydrophobicContact CZ-CG 4.31Å; N596-Y600 VanDerWaalsContact O-CD2 3.23Å; N596-Y600 WeakPolarHBondContact O-CD2 3.48Å; N596-Y600 PolarHBondContact O-N 3.15Å; M597-Y600 PolarHBondContact O-N 2.87Å; Y600-S602 PolarHBondContact O-N 3.31Å; Y600-L603 HydrophobicContact CD1-CD2 4.2Å; Y600-L603 PolarHBondContact O-N 3.36Å; Y600-L604 WeakPolarHBondContact O-CB 3.44Å; Y600-L604 VanDerWaalsContact O-CG 3.29Å; Y600-L604 WeakPolarHBondContact O-CG 3.46Å; Y600-L604 PolarHBondContact O-N 3.26Å
601	S	81.3	Confident	71.5	Confident	44 Å²	44	56.6 Å²	56.6	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-43	174.3	63.8	0	0	0	0	111.2	M597 K598 L604 D605	M597-S601 PolarHBondContact O-N 2.88Å; M597-S601 VanDerWaalsContact O-N 3.1Å; K598-S601 WeakPolarHBondContact CA-OG 3.45Å; K598-S601 PolarHBondContact O-OG 2.64Å; S601-L604 PolarHBondContact O-N 3.22Å; S601-D605 WeakPolarHBondContact O-CB 3.35Å; S601-D605 PolarHBondContact O-N 2.84Å
602	S	80.7	Confident	73.6	Confident	1 Å²	1	52 Å²	52	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-68.9	-41	179.1	-47.9	0	0	0	0	111.4	W269 L273 K598 I599 Y600 L604 D605 A606	W269-S602 WeakPolarHBondContact CB-OG 3.33Å; L273-S602 VanDerWaalsContact CD1-C 3.45Å; L273-S602 WeakPolarHBondContact CD1-O 3.46Å; K598-S602 WeakPolarHBondContact O-CB 3.49Å; K598-S602 PolarHBondContact O-N 3.4Å; K598-S602 VanDerWaalsContact O-N 3.14Å; K598-S602 PolarHBondContact O-OG 2.94Å; I599-S602 PolarHBondContact O-N 2.9Å; Y600-S602 PolarHBondContact O-N 3.31Å; S602-L604 VanDerWaalsContact C-N 3.33Å; S602-L604 PolarHBondContact O-N 3.17Å; S602-D605 PolarHBondContact O-N 3.15Å; S602-A606 VanDerWaalsContact O-CB 3.25Å; S602-A606 WeakPolarHBondContact O-CB 3.2Å; S602-A606 PolarHBondContact O-N 2.99Å
603	L	83.9	Confident	75.8	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-46.8	178	177.8	71.4	0	0	0	110.3	L273 F295 L317 I599 Y600 A606 C607	L273-L603 HydrophobicContact CD2-CB 3.97Å; L273-L603 HydrophobicContact CD2-CD1 4.43Å; F295-L603 HydrophobicContact CB-CD2 4.47Å; F295-L603 HydrophobicContact CD1-CD2 3.88Å; F295-L603 HydrophobicContact CD2-CD1 4.45Å; F295-L603 HydrophobicContact CD2-CD2 3.99Å; F295-L603 HydrophobicContact CE1-CD2 4.05Å; F295-L603 HydrophobicContact CE2-CD1 3.91Å; F295-L603 HydrophobicContact CE2-CD2 4.15Å; F295-L603 HydrophobicContact CG-CD2 3.86Å; F295-L603 HydrophobicContact CZ-CD1 4Å; F295-L603 HydrophobicContact CZ-CD2 4.18Å; L317-L603 HydrophobicContact CD1-CD2 4.45Å; I599-L603 WeakPolarHBondContact O-CB 3.48Å; I599-L603 PolarHBondContact O-N 3.17Å; Y600-L603 HydrophobicContact CD1-CD2 4.2Å; Y600-L603 PolarHBondContact O-N 3.36Å; L603-A606 PolarHBondContact O-N 3.34Å; L603-C607 WeakPolarHBondContact O-CB 3.49Å; L603-C607 PolarHBondContact O-N 3Å; L603-C607 PolarHBondContact O-SG 2.92Å
604	L	84.1	Confident	77.7	Confident	14 Å²	14	52 Å²	52	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-39	179.4	-66.7	170.5	0	0	0	111.7	L317 L320 V321 F365 Y600 S601 S602 C607 K608	L317-L604 HydrophobicContact CD1-CD2 4.38Å; L320-L604 HydrophobicContact CB-CD1 4.33Å; L320-L604 HydrophobicContact CB-CD2 3.74Å; L320-L604 HydrophobicContact CD1-CD1 4.43Å; V321-L604 HydrophobicContact CG2-CD2 3.6Å; F365-L604 HydrophobicContact CB-CD1 3.51Å; F365-L604 HydrophobicContact CG-CD1 4.18Å; Y600-L604 WeakPolarHBondContact O-CB 3.44Å; Y600-L604 VanDerWaalsContact O-CG 3.29Å; Y600-L604 WeakPolarHBondContact O-CG 3.46Å; Y600-L604 PolarHBondContact O-N 3.26Å; S601-L604 PolarHBondContact O-N 3.22Å; S602-L604 VanDerWaalsContact C-N 3.33Å; S602-L604 PolarHBondContact O-N 3.17Å; L604-C607 PolarHBondContact O-N 2.96Å; L604-K608 WeakPolarHBondContact O-CB 2.97Å; L604-K608 PolarHBondContact O-N 3.44Å
605	D	78.4	Confident	79.3	Confident	77 Å²	77	49.3 Å²	49.3	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-66.3	-39.4	173.5	-78.8	-20.7	0	0	0	112.2	S601 S602 K608 N609	S601-D605 WeakPolarHBondContact O-CB 3.35Å; S601-D605 PolarHBondContact O-N 2.84Å; S602-D605 PolarHBondContact O-N 3.15Å; D605-K608 PolarHBondContact O-N 2.91Å; D605-N609 PolarHBondContact O-N 3.42Å; D605-N609 VanDerWaalsContact O-N 3.1Å; D605-N609 PolarHBondContact O-ND2 3.17Å
606	A	79.7	Confident	80.8	Confident	33 Å²	33	49.3 Å²	49.3	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-44.5	174.6	0	0	0	0	0	110.9	L273 S602 L603 N609 A610	L273-A606 HydrophobicContact CD1-CB 3.9Å; S602-A606 VanDerWaalsContact O-CB 3.25Å; S602-A606 WeakPolarHBondContact O-CB 3.2Å; S602-A606 PolarHBondContact O-N 2.99Å; L603-A606 PolarHBondContact O-N 3.34Å; A606-N609 PolarHBondContact O-N 3.46Å; A606-A610 PolarHBondContact O-N 2.91Å; A606-A610 VanDerWaalsContact O-N 3.09Å
607	C	80.8	Confident	81.8	Confident	7 Å²	7	53.4 Å²	53.4	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-52.5	172.2	-69.3	0	0	0	0	110.2	V321 L603 L604 N609 A610 K658	V321-C607 HydrophobicContact CG1-CB 4.01Å; V321-C607 HydrophobicContact CG2-CB 4.2Å; L603-C607 WeakPolarHBondContact O-CB 3.49Å; L603-C607 PolarHBondContact O-N 3Å; L603-C607 PolarHBondContact O-SG 2.92Å; L604-C607 PolarHBondContact O-N 2.96Å; C607-N609 PolarHBondContact O-N 3.47Å; C607-N609 VanDerWaalsContact O-N 3.07Å; C607-A610 WeakPolarHBondContact O-CB 3.29Å; C607-A610 PolarHBondContact O-N 3.48Å; C607-K658 HydrophobicContact CB-CD 4.4Å; C607-K658 HydrophobicContact CB-CG 4.31Å; C607-K658 WeakPolarHBondContact O-CE 3.15Å; C607-K658 PolarHBondContact O-NZ 3.35Å
608	K	77.5	Confident	82.6	Confident	86 Å²	86	54 Å²	54	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-54.4	-35.6	-178.4	-170.9	174.9	-179.6	176.2	0	113.3	L604 D605	L604-K608 WeakPolarHBondContact O-CB 2.97Å; L604-K608 PolarHBondContact O-N 3.44Å; D605-K608 PolarHBondContact O-N 2.91Å
609	N	73.6	Confident	83.4	Confident	73 Å²	73	50 Å²	50	39%	0.39	27%	0.269	S	S	.	.	H	α-helix	trans	-87.2	-7.6	178.7	-65	-51.2	0	0	0	114.7	D605 A606 C607	D605-N609 PolarHBondContact O-N 3.42Å; D605-N609 VanDerWaalsContact O-N 3.1Å; D605-N609 PolarHBondContact O-ND2 3.17Å; A606-N609 PolarHBondContact O-N 3.46Å; C607-N609 PolarHBondContact O-N 3.47Å; C607-N609 VanDerWaalsContact O-N 3.07Å
610	A	75.5	Confident	83.8	Confident	38 Å²	38	50.1 Å²	50.1	31%	0.314	27%	0.273	S	S	.	.	S	Bend	trans	-73.3	151.4	178.8	0	0	0	0	0	111.3	A606 C607	A606-A610 PolarHBondContact O-N 2.91Å; A606-A610 VanDerWaalsContact O-N 3.09Å; C607-A610 WeakPolarHBondContact O-CB 3.29Å; C607-A610 PolarHBondContact O-N 3.48Å
611	P	77.3	Confident	84.2	Confident	89 Å²	89	53.7 Å²	53.7	58%	0.578	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-60	152.6	177.9	26.3	-35.6	0	0	0	111.7	V613 I663	P611-V613 PolarHBondContact O-N 3.22Å; P611-I663 HydrophobicContact CG-CG2 3.84Å
612	T	79.6	Confident	84.7	Confident	72 Å²	72	51.7 Å²	51.7	44%	0.442	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-60	130.3	-179.5	55.3	0	0	0	0	111.8	T326	T326-T612 HydrophobicContact CG2-CG2 3.72Å
613	V	86	Confident	85.2	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-76.4	127.9	-179.3	179.7	0	0	0	0	111.1	P611 K654 A657 K658 I663 A665	P611-V613 PolarHBondContact O-N 3.22Å; V613-K654 HydrophobicContact CB-CB 4.22Å; V613-K654 HydrophobicContact CB-CG 4.21Å; V613-K654 HydrophobicContact CG1-CB 4.37Å; V613-K654 HydrophobicContact CG1-CG 4.19Å; V613-K654 WeakPolarHBondContact O-CE 3.35Å; V613-K654 PolarHBondContact O-NZ 3.45Å; V613-A657 HydrophobicContact CG1-CB 3.97Å; V613-K658 HydrophobicContact CG2-CB 3.98Å; V613-K658 HydrophobicContact CG2-CD 4.3Å; V613-K658 HydrophobicContact CG2-CG 4.21Å; V613-I663 WeakPolarHBondContact CA-O 3.3Å; V613-A665 HydrophobicContact CG1-CB 3.92Å
614	K	89.4	Confident	85.6	Confident	153 Å²	153	55.4 Å²	55.4	67%	0.665	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	148.8	171.9	-64.6	-176.6	-179.5	-179.7	0	110.3	I663 V664 A665	K614-I663 PolarHBondContact N-O 2.82Å; K614-V664 CarbonylContact O-C 3.52Å; K614-V664 VanDerWaalsContact O-CA 3.31Å; K614-V664 WeakPolarHBondContact O-CA 3.24Å; K614-A665 PolarHBondContact O-N 3.35Å
615	M	88.3	Confident	85.9	Confident	37 Å²	37	55.7 Å²	55.7	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.7	174.9	-165.7	66.2	74.1	0	0	109.7	A619 S620 L623 F650 A653 K654 A665	M615-A619 HydrophobicContact CG-CB 4.12Å; M615-A619 HydrophobicContact SD-CB 3.75Å; M615-S620 WeakPolarHBondContact CG-OG 3.25Å; M615-L623 HydrophobicContact CE-CD1 4.15Å; M615-F650 HydrophobicContact CB-CE1 4.4Å; M615-F650 HydrophobicContact CE-CD1 3.6Å; M615-F650 HydrophobicContact CE-CE1 4.24Å; M615-F650 HydrophobicContact CE-CG 4.38Å; M615-F650 WeakPolarHBondContact CE-O 3.46Å; M615-F650 HydrophobicContact CG-CD1 4.23Å; M615-F650 HydrophobicContact CG-CE1 3.95Å; M615-A653 HydrophobicContact CE-CB 3.75Å; M615-A653 HydrophobicContact SD-CB 4.42Å; M615-K654 HydrophobicContact CE-CG 3.89Å; M615-A665 HydrophobicContact CE-CB 4.19Å; M615-A665 HydrophobicContact SD-CB 3.54Å; M615-A665 VanDerWaalsContact SD-CB 3.54Å
616	E	92.5	Very high	86.5	Confident	75 Å²	75	52.2 Å²	52.2	35%	0.35	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-67.4	151.3	170.2	-171.2	175.7	-167.5	0	0	111.1	N618 A619 S620 V664 A665 N666	E616-N618 PolarHBondContact O-N 3.05Å; E616-A619 HydrophobicContact CB-CB 4.05Å; E616-A619 PolarHBondContact O-N 2.89Å; E616-S620 PolarHBondContact O-N 3.5Å; E616-S620 PolarHBondContact O-OG 3.36Å; E616-V664 HydrophobicContact CB-CG1 4.27Å; E616-A665 VanDerWaalsContact CB-O 3.26Å; E616-A665 WeakPolarHBondContact CB-O 3.48Å; E616-A665 PolarHBondContact N-O 3.49Å; E616-N666 VanDerWaalsContact OE2-CA 3.31Å; E616-N666 WeakPolarHBondContact OE2-CA 3.42Å; E616-N666 WeakPolarHBondContact OE2-CB 3.38Å
617	E	90.9	Very high	87	Confident	131 Å²	131	52.8 Å²	52.8	61%	0.612	27%	0.27	S	S	*	.	H	α-helix	trans	-62.7	-43.1	-179.8	-167.3	-174.2	150.5	0	0	111.7	S620 K621	E617-S620 WeakPolarHBondContact O-CB 3.29Å; E617-S620 PolarHBondContact O-N 3.48Å; E617-K621 WeakPolarHBondContact O-CG 3.44Å; E617-K621 PolarHBondContact O-N 3.39Å; E617-K621 WeakPolarHBondContact OE1-CE 3.21Å; E617-K621 IonicContact OE1-NZ 2.84Å; E617-K621 PolarHBondContact OE1-NZ 3.12Å
618	N	91.5	Very high	87.3	Confident	65 Å²	65	56.3 Å²	56.3	35%	0.348	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-39.4	178.6	-65.6	-9.5	0	0	0	112.2	E616 S620 K621 L622 E667	E616-N618 PolarHBondContact O-N 3.05Å; N618-S620 VanDerWaalsContact C-N 3.3Å; N618-S620 PolarHBondContact O-N 2.77Å; N618-K621 PolarHBondContact O-N 2.87Å; N618-L622 WeakPolarHBondContact O-CG 3.46Å; N618-L622 PolarHBondContact O-N 3.5Å; N618-E667 HydrophobicContact CB-CG 3.62Å; N618-E667 WeakPolarHBondContact CB-OE1 3.35Å; N618-E667 PolarHBondContact ND2-OE1 2.95Å
619	A	92.6	Very high	87.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-44.1	173.1	0	0	0	0	0	111.1	M615 E616 K621 L622 L623 N666 A670	M615-A619 HydrophobicContact CG-CB 4.12Å; M615-A619 HydrophobicContact SD-CB 3.75Å; E616-A619 HydrophobicContact CB-CB 4.05Å; E616-A619 PolarHBondContact O-N 2.89Å; A619-K621 PolarHBondContact O-N 3.29Å; A619-L622 PolarHBondContact O-N 2.9Å; A619-L623 WeakPolarHBondContact O-CG 3.19Å; A619-L623 PolarHBondContact O-N 3Å; A619-L623 VanDerWaalsContact O-N 3.12Å; A619-N666 WeakPolarHBondContact CB-O 3.36Å; A619-A670 HydrophobicContact CB-CB 3.97Å
620	S	92	Very high	88.4	Confident	33 Å²	33	50.4 Å²	50.4	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-42.3	177	-55.4	0	0	0	0	112.1	M615 E616 E617 N618 L623 Q624	M615-S620 WeakPolarHBondContact CG-OG 3.25Å; E616-S620 PolarHBondContact O-N 3.5Å; E616-S620 PolarHBondContact O-OG 3.36Å; E617-S620 WeakPolarHBondContact O-CB 3.29Å; E617-S620 PolarHBondContact O-N 3.48Å; N618-S620 VanDerWaalsContact C-N 3.3Å; N618-S620 PolarHBondContact O-N 2.77Å; S620-L623 PolarHBondContact O-N 3.41Å; S620-Q624 WeakPolarHBondContact O-CB 3.26Å; S620-Q624 PolarHBondContact O-N 3.29Å
621	K	91.7	Very high	88.8	Confident	83 Å²	83	54 Å²	54	36%	0.361	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-43	175.5	-73	172.5	-176.5	164.4	0	112	E617 N618 A619 Q624 V625	E617-K621 WeakPolarHBondContact O-CG 3.44Å; E617-K621 PolarHBondContact O-N 3.39Å; E617-K621 WeakPolarHBondContact OE1-CE 3.21Å; E617-K621 IonicContact OE1-NZ 2.84Å; E617-K621 PolarHBondContact OE1-NZ 3.12Å; N618-K621 PolarHBondContact O-N 2.87Å; A619-K621 PolarHBondContact O-N 3.29Å; K621-Q624 PolarHBondContact O-N 3.39Å; K621-V625 WeakPolarHBondContact O-CG2 3.27Å; K621-V625 PolarHBondContact O-N 3.5Å
622	L	92.4	Very high	89.1	Confident	2 Å²	2	56 Å²	56	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-47.3	176.7	-73.5	168.7	0	0	0	111.7	N618 A619 Q624 V625 Y626 E667 A670 L720 K721 I724	N618-L622 WeakPolarHBondContact O-CG 3.46Å; N618-L622 PolarHBondContact O-N 3.5Å; A619-L622 PolarHBondContact O-N 2.9Å; L622-Q624 VanDerWaalsContact C-N 3.34Å; L622-Q624 PolarHBondContact O-N 3.13Å; L622-V625 PolarHBondContact O-N 3.1Å; L622-Y626 WeakPolarHBondContact O-CB 3.39Å; L622-Y626 PolarHBondContact O-N 3.21Å; L622-E667 HydrophobicContact CD1-CB 3.7Å; L622-E667 HydrophobicContact CD1-CG 3.85Å; L622-A670 HydrophobicContact CB-CB 4.37Å; L622-L720 HydrophobicContact CD2-CB 3.6Å; L622-L720 HydrophobicContact CD2-CD1 4.38Å; L622-K721 HydrophobicContact CD2-CG 4.29Å; L622-I724 HydrophobicContact CD2-CD1 3.54Å; L622-I724 HydrophobicContact CG-CD1 4.12Å
623	L	92.3	Very high	89.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-42.3	176.9	-64.4	-175.9	0	0	0	112	M615 A619 S620 Y627 L646 L649 F650 A653 A670 I674	M615-L623 HydrophobicContact CE-CD1 4.15Å; A619-L623 WeakPolarHBondContact O-CG 3.19Å; A619-L623 PolarHBondContact O-N 3Å; A619-L623 VanDerWaalsContact O-N 3.12Å; S620-L623 PolarHBondContact O-N 3.41Å; L623-Y627 WeakPolarHBondContact O-CB 3.31Å; L623-Y627 PolarHBondContact O-N 2.86Å; L623-L646 HydrophobicContact CB-CD1 4.21Å; L623-L649 HydrophobicContact CD1-CB 4.39Å; L623-L649 HydrophobicContact CD2-CB 3.98Å; L623-L649 HydrophobicContact CD2-CD2 4.44Å; L623-F650 HydrophobicContact CB-CE2 4.42Å; L623-F650 HydrophobicContact CD1-CB 4.46Å; L623-F650 HydrophobicContact CD1-CD1 4.08Å; L623-F650 HydrophobicContact CD1-CD2 3.98Å; L623-F650 HydrophobicContact CD1-CE1 4.3Å; L623-F650 HydrophobicContact CD1-CE2 4.21Å; L623-F650 HydrophobicContact CD1-CG 3.92Å; L623-F650 HydrophobicContact CD1-CZ 4.35Å; L623-A653 HydrophobicContact CD1-CB 4.43Å; L623-A670 HydrophobicContact CD2-CB 3.82Å; L623-A670 HydrophobicContact CG-CB 3.96Å; L623-I674 HydrophobicContact CD2-CD1 3.79Å; L623-I674 HydrophobicContact CD2-CG1 3.67Å
624	Q	91.2	Very high	88.5	Confident	93 Å²	93	53.8 Å²	53.8	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-48	178.2	-177.1	-178	13.9	0	0	111.7	S620 K621 L622 Y627 M628	S620-Q624 WeakPolarHBondContact O-CB 3.26Å; S620-Q624 PolarHBondContact O-N 3.29Å; K621-Q624 PolarHBondContact O-N 3.39Å; L622-Q624 VanDerWaalsContact C-N 3.34Å; L622-Q624 PolarHBondContact O-N 3.13Å; Q624-Y627 PolarHBondContact O-N 3.17Å; Q624-M628 HydrophobicContact CG-CE 3.93Å; Q624-M628 HydrophobicContact CG-SD 4.34Å; Q624-M628 WeakPolarHBondContact O-CG 3.34Å; Q624-M628 PolarHBondContact O-N 3.22Å
625	V	90.3	Very high	87.5	Confident	19 Å²	19	52.1 Å²	52.1	12%	0.115	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-43.2	-179.3	168.1	0	0	0	0	111.5	K621 L622 Y627 M628 A629 L723 I724	K621-V625 WeakPolarHBondContact O-CG2 3.27Å; K621-V625 PolarHBondContact O-N 3.5Å; L622-V625 PolarHBondContact O-N 3.1Å; V625-Y627 PolarHBondContact O-N 3.34Å; V625-M628 PolarHBondContact O-N 2.92Å; V625-A629 WeakPolarHBondContact O-CB 3.48Å; V625-A629 PolarHBondContact O-N 2.93Å; V625-L723 HydrophobicContact CG1-CB 3.76Å; V625-I724 HydrophobicContact CB-CG1 3.91Å; V625-I724 HydrophobicContact CG1-CG1 4.05Å; V625-I724 HydrophobicContact CG2-CB 4.4Å; V625-I724 HydrophobicContact CG2-CG1 3.55Å
626	Y	91.6	Very high	86.2	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-48	173.2	171.9	-99.1	0	0	0	111.6	L622 M628 A629 M630 L649 I674 Y677 D678 L690 L720	L622-Y626 WeakPolarHBondContact O-CB 3.39Å; L622-Y626 PolarHBondContact O-N 3.21Å; Y626-M628 PolarHBondContact O-N 3.36Å; Y626-A629 PolarHBondContact O-N 3.18Å; Y626-M630 WeakPolarHBondContact O-CB 3.37Å; Y626-M630 PolarHBondContact O-N 3.42Å; Y626-L649 HydrophobicContact CD1-CD1 3.62Å; Y626-L649 HydrophobicContact CE1-CD1 3.85Å; Y626-L649 HydrophobicContact CE1-CD2 4.42Å; Y626-I674 HydrophobicContact CD1-CG1 3.98Å; Y626-I674 HydrophobicContact CD1-CG2 4.25Å; Y626-I674 HydrophobicContact CD2-CG2 3.55Å; Y626-I674 HydrophobicContact CE1-CG2 4.42Å; Y626-I674 HydrophobicContact CE2-CG2 3.75Å; Y626-I674 HydrophobicContact CG-CD1 4.09Å; Y626-I674 HydrophobicContact CG-CG1 3.93Å; Y626-I674 HydrophobicContact CG-CG2 3.82Å; Y626-Y677 AromaticContact CE1-CD1 3.99Å; Y626-Y677 HydrophobicContact CE1-CD1 3.99Å; Y626-Y677 HydrophobicContact CE1-CE1 4.5Å; Y626-D678 HydrophobicContact CE2-CB 4.17Å; Y626-D678 WeakPolarHBondContact CE2-OD1 3.5Å; Y626-D678 WeakPolarHBondContact OH-CA 3.47Å; Y626-D678 WeakPolarHBondContact OH-CB 3.38Å; Y626-D678 PolarHBondContact OH-OD1 3.09Å; Y626-L690 HydrophobicContact CE2-CG 4.4Å; Y626-L720 HydrophobicContact CD2-CD2 4.25Å
627	Y	90	Very high	84.8	Confident	46 Å²	46	60.6 Å²	60.6	18%	0.18	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-42.9	178.1	175.2	-100.7	0	0	0	112.5	L623 Q624 V625 M630 R631 A645 L646	L623-Y627 WeakPolarHBondContact O-CB 3.31Å; L623-Y627 PolarHBondContact O-N 2.86Å; Q624-Y627 PolarHBondContact O-N 3.17Å; V625-Y627 PolarHBondContact O-N 3.34Å; Y627-M630 HydrophobicContact CD2-CE 3.66Å; Y627-M630 HydrophobicContact CE2-CE 3.98Å; Y627-M630 PolarHBondContact O-N 3.05Å; Y627-R631 HydrophobicContact CD1-CG 4.32Å; Y627-R631 HydrophobicContact CD2-CG 4.44Å; Y627-R631 HydrophobicContact CE1-CG 3.91Å; Y627-R631 HydrophobicContact CE2-CG 4.05Å; Y627-R631 WeakPolarHBondContact O-CB 3.45Å; Y627-R631 VanDerWaalsContact O-CG 3.22Å; Y627-R631 WeakPolarHBondContact O-CG 3.4Å; Y627-R631 PolarHBondContact O-N 2.86Å; Y627-A645 HydrophobicContact CD2-CB 3.94Å; Y627-A645 HydrophobicContact CE2-CB 3.96Å; Y627-L646 HydrophobicContact CD1-CB 4.31Å; Y627-L646 HydrophobicContact CD1-CD2 4.29Å; Y627-L646 HydrophobicContact CD2-CB 3.77Å; Y627-L646 HydrophobicContact CE2-CB 4.08Å; Y627-L646 HydrophobicContact CG-CB 3.89Å; Y627-L646 HydrophobicContact CG-CD1 4.26Å; Y627-L646 HydrophobicContact CG-CG 4.47Å
628	M	87.8	Confident	83.3	Confident	81 Å²	81	65.9 Å²	65.9	40%	0.399	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-43.9	176.4	-73.6	-176	175	0	0	112	Q624 V625 Y626 R631 R632	Q624-M628 HydrophobicContact CG-CE 3.93Å; Q624-M628 HydrophobicContact CG-SD 4.34Å; Q624-M628 WeakPolarHBondContact O-CG 3.34Å; Q624-M628 PolarHBondContact O-N 3.22Å; V625-M628 PolarHBondContact O-N 2.92Å; Y626-M628 PolarHBondContact O-N 3.36Å; M628-R631 PolarHBondContact O-N 3.23Å; M628-R632 VanDerWaalsContact O-CG 3.31Å; M628-R632 WeakPolarHBondContact O-CG 3.31Å; M628-R632 PolarHBondContact O-N 3Å
629	A	85.9	Confident	82.2	Confident	34 Å²	34	66 Å²	66	28%	0.281	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-48.9	176.2	0	0	0	0	0	110.8	V625 Y626 R631 R632 S633	V625-A629 WeakPolarHBondContact O-CB 3.48Å; V625-A629 PolarHBondContact O-N 2.93Å; Y626-A629 PolarHBondContact O-N 3.18Å; A629-R631 VanDerWaalsContact C-N 3.33Å; A629-R631 PolarHBondContact O-N 3.4Å; A629-R632 PolarHBondContact O-N 3.22Å; A629-R632 VanDerWaalsContact O-N 3.15Å; A629-S633 PolarHBondContact O-N 2.92Å; A629-S633 PolarHBondContact O-OG 3.39Å
630	M	87.4	Confident	81.2	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-56.2	-43.6	175.2	-177.3	-171.3	63.9	0	0	112.3	Y626 Y627 S633 S634 A641 A645 Y677 I681 Y689	Y626-M630 WeakPolarHBondContact O-CB 3.37Å; Y626-M630 PolarHBondContact O-N 3.42Å; Y627-M630 HydrophobicContact CD2-CE 3.66Å; Y627-M630 HydrophobicContact CE2-CE 3.98Å; Y627-M630 PolarHBondContact O-N 3.05Å; M630-S633 WeakPolarHBondContact CA-OG 3.4Å; M630-S633 PolarHBondContact O-OG 3.48Å; M630-S634 VanDerWaalsContact O-CB 3.23Å; M630-S634 WeakPolarHBondContact O-CB 3.35Å; M630-S634 PolarHBondContact O-N 3.41Å; M630-S634 PolarHBondContact O-OG 2.92Å; M630-A641 HydrophobicContact CE-CB 3.66Å; M630-A641 HydrophobicContact CG-CB 4.17Å; M630-A641 HydrophobicContact SD-CB 4.26Å; M630-A645 HydrophobicContact CE-CB 3.52Å; M630-Y677 HydrophobicContact SD-CE1 4.16Å; M630-I681 HydrophobicContact SD-CG1 4.19Å; M630-Y689 HydrophobicContact CB-CD2 4.47Å; M630-Y689 HydrophobicContact CB-CE2 4.36Å; M630-Y689 HydrophobicContact CG-CD2 3.96Å; M630-Y689 HydrophobicContact CG-CE1 4.5Å; M630-Y689 HydrophobicContact CG-CE2 3.44Å; M630-Y689 VanDerWaalsContact CG-CE2 3.44Å; M630-Y689 HydrophobicContact SD-CE2 4.24Å
631	R	83.8	Confident	80.4	Confident	113 Å²	113	69.5 Å²	69.5	43%	0.426	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-41.2	177.5	-71.3	-75	-72.2	-175.1	0.6	111.5	Y627 M628 A629 V635 A641	Y627-R631 HydrophobicContact CD1-CG 4.32Å; Y627-R631 HydrophobicContact CD2-CG 4.44Å; Y627-R631 HydrophobicContact CE1-CG 3.91Å; Y627-R631 HydrophobicContact CE2-CG 4.05Å; Y627-R631 WeakPolarHBondContact O-CB 3.45Å; Y627-R631 VanDerWaalsContact O-CG 3.22Å; Y627-R631 WeakPolarHBondContact O-CG 3.4Å; Y627-R631 PolarHBondContact O-N 2.86Å; M628-R631 PolarHBondContact O-N 3.23Å; A629-R631 VanDerWaalsContact C-N 3.33Å; A629-R631 PolarHBondContact O-N 3.4Å; R631-V635 WeakPolarHBondContact O-CG2 3.3Å; R631-V635 PolarHBondContact O-N 3.22Å; R631-A641 VanDerWaalsContact CD-CB 3.42Å; R631-A641 HydrophobicContact CG-CB 4.2Å; R631-A641 PolarHBondContact NH1-O 3.03Å
632	R	83	Confident	79.9	Confident	131 Å²	131	66.4 Å²	66.4	49%	0.494	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-41.5	178.9	-72.7	174.6	-179.1	-164.4	-0.2	111.9	M628 A629 E730	M628-R632 VanDerWaalsContact O-CG 3.31Å; M628-R632 WeakPolarHBondContact O-CG 3.31Å; M628-R632 PolarHBondContact O-N 3Å; A629-R632 PolarHBondContact O-N 3.22Å; A629-R632 VanDerWaalsContact O-N 3.15Å; R632-E730 IonicContact CZ-OE2 3.99Å; R632-E730 IonicContact NH1-OE2 3.26Å; R632-E730 PolarHBondContact NH1-OE2 2.94Å; R632-E730 IonicContact NH2-OE2 2.76Å
633	S	80.4	Confident	79.3	Confident	27 Å²	27	70.4 Å²	70.4	19%	0.189	34%	0.342	C	S	.	.	H	α-helix	trans	-69.6	-43.8	176.2	48.1	0	0	0	0	112.1	A629 M630 V635 R636 D637 Y689	A629-S633 PolarHBondContact O-N 2.92Å; A629-S633 PolarHBondContact O-OG 3.39Å; M630-S633 WeakPolarHBondContact CA-OG 3.4Å; M630-S633 PolarHBondContact O-OG 3.48Å; S633-V635 PolarHBondContact O-N 3.06Å; S633-V635 VanDerWaalsContact O-N 3.16Å; S633-R636 WeakPolarHBondContact O-CA 3.23Å; S633-R636 WeakPolarHBondContact O-CB 3.43Å; S633-R636 PolarHBondContact O-N 3.44Å; S633-D637 PolarHBondContact O-N 3.47Å; S633-Y689 VanDerWaalsContact CB-CE1 3.48Å; S633-Y689 WeakPolarHBondContact OG-CD1 3.46Å; S633-Y689 WeakPolarHBondContact OG-CE1 3.14Å
634	S	74	Confident	79	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.014	35%	0.351	C	S	.	.	H	α-helix	trans	-51.7	-40.3	174.6	-79.3	0	0	0	0	113.1	M630 R636 D637 R638 K639 A641 Y689	M630-S634 VanDerWaalsContact O-CB 3.23Å; M630-S634 WeakPolarHBondContact O-CB 3.35Å; M630-S634 PolarHBondContact O-N 3.41Å; M630-S634 PolarHBondContact O-OG 2.92Å; S634-R636 VanDerWaalsContact C-N 3.33Å; S634-R636 PolarHBondContact O-N 2.87Å; S634-D637 PolarHBondContact O-N 3.4Å; S634-R638 PolarHBondContact O-N 2.86Å; S634-R638 VanDerWaalsContact O-N 3.11Å; S634-K639 CarbonylContact C-O 3.26Å; S634-K639 WeakPolarHBondContact CB-O 3.49Å; S634-K639 PolarHBondContact O-N 2.79Å; S634-A641 WeakPolarHBondContact OG-CB 3.4Å; S634-Y689 PolarHBondContact OG-OH 3.31Å
635	V	67.7	Low	78.9	Confident	118 Å²	118	67.3 Å²	67.3	72%	0.715	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-39.2	175.9	172.6	0	0	0	0	111.7	R631 S633 R638	R631-V635 WeakPolarHBondContact O-CG2 3.3Å; R631-V635 PolarHBondContact O-N 3.22Å; S633-V635 PolarHBondContact O-N 3.06Å; S633-V635 VanDerWaalsContact O-N 3.16Å; V635-R638 PolarHBondContact O-N 3.18Å
636	R	61.6	Low	78.9	Confident	215 Å²	215	68.1 Å²	68.1	81%	0.811	33%	0.334	S	S	*	.	H	α-helix	trans	-66.8	-39.6	176.5	-63.2	180	-179.7	-176.2	0.2	111.2	S633 S634 R638	S633-R636 WeakPolarHBondContact O-CA 3.23Å; S633-R636 WeakPolarHBondContact O-CB 3.43Å; S633-R636 PolarHBondContact O-N 3.44Å; S634-R636 VanDerWaalsContact C-N 3.33Å; S634-R636 PolarHBondContact O-N 2.87Å; R636-R638 VanDerWaalsContact C-N 3.26Å; R636-R638 PolarHBondContact O-N 3.22Å
637	D	61.9	Low	78.7	Confident	75 Å²	75	69 Å²	69	40%	0.401	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1	-176.4	-59.3	-36.9	0	0	0	113.7	S633 S634 K639 T687	S633-D637 PolarHBondContact O-N 3.47Å; S634-D637 PolarHBondContact O-N 3.4Å; D637-K639 HydrophobicContact CB-CD 4.41Å; D637-K639 HydrophobicContact CB-CG 4.43Å; D637-K639 WeakPolarHBondContact O-CG 3.49Å; D637-K639 PolarHBondContact O-N 3.45Å; D637-T687 HydrophobicContact CB-CG2 4.18Å; D637-T687 VanDerWaalsContact OD2-CG2 3.3Å; D637-T687 WeakPolarHBondContact OD2-CG2 3.29Å
638	R	60.5	Low	78.7	Confident	241 Å²	241	67 Å²	67	91%	0.909	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.2	-174.1	-57	-178.8	178.5	179	0	113.2	S634 V635 R636	S634-R638 PolarHBondContact O-N 2.86Å; S634-R638 VanDerWaalsContact O-N 3.11Å; V635-R638 PolarHBondContact O-N 3.18Å; R636-R638 VanDerWaalsContact C-N 3.26Å; R636-R638 PolarHBondContact O-N 3.22Å
639	K	68.2	Low	79	Confident	67 Å²	67	63.1 Å²	63.1	29%	0.291	31%	0.314	S	S	.	.			trans	-115.2	162.1	178.5	-63.8	178.9	-164.8	178.2	0	109.9	S634 D637 T685 G686	S634-K639 CarbonylContact C-O 3.26Å; S634-K639 WeakPolarHBondContact CB-O 3.49Å; S634-K639 PolarHBondContact O-N 2.79Å; D637-K639 HydrophobicContact CB-CD 4.41Å; D637-K639 HydrophobicContact CB-CG 4.43Å; D637-K639 WeakPolarHBondContact O-CG 3.49Å; D637-K639 PolarHBondContact O-N 3.45Å; K639-T685 WeakPolarHBondContact CD-O 3.27Å; K639-T685 VanDerWaalsContact CE-O 3.25Å; K639-T685 WeakPolarHBondContact CE-O 3.38Å; K639-T685 PolarHBondContact NZ-O 3.4Å; K639-G686 VanDerWaalsContact NZ-CA 3.26Å; K639-G686 PolarHBondContact NZ-O 3.38Å
640	T	70.8	Confident	79.2	Confident	103 Å²	103	64.2 Å²	64.2	63%	0.632	31%	0.312	S	S	*	.			trans	-108.5	113.3	-176.5	48.9	0	0	0	0	109.7
641	A	76.4	Confident	79.3	Confident	5 Å²	5	66.1 Å²	66.1	4%	0.041	32%	0.32	C	S	.	.			trans	-69.9	133	170.5	0	0	0	0	0	110.2	M630 R631 S634	M630-A641 HydrophobicContact CE-CB 3.66Å; M630-A641 HydrophobicContact CG-CB 4.17Å; M630-A641 HydrophobicContact SD-CB 4.26Å; R631-A641 VanDerWaalsContact CD-CB 3.42Å; R631-A641 HydrophobicContact CG-CB 4.2Å; R631-A641 PolarHBondContact NH1-O 3.03Å; S634-A641 WeakPolarHBondContact OG-CB 3.4Å
642	P	80.9	Confident	79.8	Confident	18 Å²	18	60.7 Å²	60.7	12%	0.117	30%	0.3	C	S	.	.			trans	-58.6	137.6	-177.2	-24.8	34.2	0	0	0	112.6	S644 A645 I681	P642-S644 PolarHBondContact O-N 3.4Å; P642-A645 HydrophobicContact CB-CB 4.36Å; P642-A645 WeakPolarHBondContact O-CB 3.24Å; P642-A645 PolarHBondContact O-N 2.76Å; P642-I681 HydrophobicContact CG-CD1 3.85Å
643	A	79.9	Confident	80.3	Confident	85 Å²	85	54.5 Å²	54.5	70%	0.702	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-28	175.3	0	0	0	0	0	112
644	S	85.7	Confident	80.9	Confident	28 Å²	28	56.5 Å²	56.5	20%	0.196	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.4	179.5	56.7	0	0	0	0	114.8	D553 P642 L646 P647 T648	D553-S644 WeakPolarHBondContact OD1-CB 3.37Å; D553-S644 PolarHBondContact OD1-OG 3.06Å; P642-S644 PolarHBondContact O-N 3.4Å; S644-L646 PolarHBondContact O-N 2.89Å; S644-P647 WeakPolarHBondContact O-CD 3.36Å; S644-T648 VanDerWaalsContact O-CB 3.31Å; S644-T648 WeakPolarHBondContact O-CB 3.46Å; S644-T648 PolarHBondContact O-N 3.34Å; S644-T648 PolarHBondContact O-OG1 2.79Å
645	A	89	Confident	81.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-46.9	-175.8	0	0	0	0	0	112.5	Y627 M630 P642 T648 L649 Y677	Y627-A645 HydrophobicContact CD2-CB 3.94Å; Y627-A645 HydrophobicContact CE2-CB 3.96Å; M630-A645 HydrophobicContact CE-CB 3.52Å; P642-A645 HydrophobicContact CB-CB 4.36Å; P642-A645 WeakPolarHBondContact O-CB 3.24Å; P642-A645 PolarHBondContact O-N 2.76Å; A645-T648 PolarHBondContact O-N 3.32Å; A645-L649 WeakPolarHBondContact O-CB 3.24Å; A645-L649 VanDerWaalsContact O-CG 3.28Å; A645-L649 WeakPolarHBondContact O-CG 3.33Å; A645-L649 PolarHBondContact O-N 3.26Å; A645-Y677 WeakPolarHBondContact CA-OH 3.32Å; A645-Y677 HydrophobicContact CB-CE1 3.97Å; A645-Y677 WeakPolarHBondContact CB-OH 3.47Å
646	L	89.8	Confident	83	Confident	36 Å²	36	51 Å²	51	19%	0.188	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-52	-179.8	-174.3	66.8	0	0	0	111.9	L623 Y627 S644 T648 L649 F650	L623-L646 HydrophobicContact CB-CD1 4.21Å; Y627-L646 HydrophobicContact CD1-CB 4.31Å; Y627-L646 HydrophobicContact CD1-CD2 4.29Å; Y627-L646 HydrophobicContact CD2-CB 3.77Å; Y627-L646 HydrophobicContact CE2-CB 4.08Å; Y627-L646 HydrophobicContact CG-CB 3.89Å; Y627-L646 HydrophobicContact CG-CD1 4.26Å; Y627-L646 HydrophobicContact CG-CG 4.47Å; S644-L646 PolarHBondContact O-N 2.89Å; L646-T648 VanDerWaalsContact C-N 3.25Å; L646-T648 PolarHBondContact O-N 2.91Å; L646-L649 PolarHBondContact O-N 3.09Å; L646-F650 HydrophobicContact CD1-CD2 3.96Å; L646-F650 HydrophobicContact CD1-CE2 3.65Å; L646-F650 HydrophobicContact CD2-CE2 4.4Å; L646-F650 HydrophobicContact CG-CD2 3.98Å; L646-F650 HydrophobicContact CG-CE2 3.83Å; L646-F650 WeakPolarHBondContact O-CD2 3.43Å; L646-F650 PolarHBondContact O-N 3.35Å
647	P	88.3	Confident	84.4	Confident	23 Å²	23	40.7 Å²	40.7	15%	0.149	21%	0.21	C	C	.	.	H	α-helix	trans	-52.9	-40.9	171.9	-27.7	32.9	0	0	0	113.8	I337 S644 F650 K651	I337-P647 HydrophobicContact CG2-CG 4.21Å; S644-P647 WeakPolarHBondContact O-CD 3.36Å; P647-F650 PolarHBondContact O-N 3.19Å; P647-K651 VanDerWaalsContact O-CG 3.25Å; P647-K651 WeakPolarHBondContact O-CG 3.48Å; P647-K651 PolarHBondContact O-N 2.78Å
648	T	90.2	Very high	85.8	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-48.8	178.1	-63.6	0	0	0	0	111.3	P342 I554 S644 A645 L646 F650 K651 L652 Y677	P342-T648 HydrophobicContact CB-CG2 4.01Å; P342-T648 HydrophobicContact CG-CG2 3.95Å; I554-T648 HydrophobicContact CD1-CG2 3.77Å; I554-T648 HydrophobicContact CG1-CG2 3.95Å; S644-T648 VanDerWaalsContact O-CB 3.31Å; S644-T648 WeakPolarHBondContact O-CB 3.46Å; S644-T648 PolarHBondContact O-N 3.34Å; S644-T648 PolarHBondContact O-OG1 2.79Å; A645-T648 PolarHBondContact O-N 3.32Å; L646-T648 VanDerWaalsContact C-N 3.25Å; L646-T648 PolarHBondContact O-N 2.91Å; T648-F650 PolarHBondContact O-N 2.94Å; T648-K651 PolarHBondContact O-N 3.42Å; T648-K651 VanDerWaalsContact O-N 3.14Å; T648-L652 HydrophobicContact CG2-CD1 4.06Å; T648-L652 HydrophobicContact CG2-CG 4.32Å; T648-L652 WeakPolarHBondContact O-CG 3.45Å; T648-L652 PolarHBondContact O-N 3.28Å; T648-Y677 HydrophobicContact CG2-CD2 4.12Å; T648-Y677 HydrophobicContact CG2-CE2 3.95Å
649	L	92.6	Very high	87.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.7	-45.3	177.5	-75.2	165.3	0	0	0	112.7	L623 Y626 A645 L646 K651 L652 A653 I674 Y677	L623-L649 HydrophobicContact CD1-CB 4.39Å; L623-L649 HydrophobicContact CD2-CB 3.98Å; L623-L649 HydrophobicContact CD2-CD2 4.44Å; Y626-L649 HydrophobicContact CD1-CD1 3.62Å; Y626-L649 HydrophobicContact CE1-CD1 3.85Å; Y626-L649 HydrophobicContact CE1-CD2 4.42Å; A645-L649 WeakPolarHBondContact O-CB 3.24Å; A645-L649 VanDerWaalsContact O-CG 3.28Å; A645-L649 WeakPolarHBondContact O-CG 3.33Å; A645-L649 PolarHBondContact O-N 3.26Å; L646-L649 PolarHBondContact O-N 3.09Å; L649-K651 VanDerWaalsContact C-N 3.26Å; L649-K651 PolarHBondContact O-N 3.2Å; L649-L652 PolarHBondContact O-N 2.86Å; L649-A653 WeakPolarHBondContact O-CB 3.16Å; L649-A653 PolarHBondContact O-N 2.92Å; L649-I674 HydrophobicContact CD2-CG1 4.06Å; L649-Y677 HydrophobicContact CD2-CD1 4.01Å; L649-Y677 HydrophobicContact CD2-CD2 4.49Å; L649-Y677 HydrophobicContact CD2-CG 3.78Å; L649-Y677 HydrophobicContact CG-CD1 4.31Å; L649-Y677 HydrophobicContact CG-CG 4.27Å
650	F	91.3	Very high	88.3	Confident	57 Å²	57	24.1 Å²	24.1	25%	0.25	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-42.5	177.1	-93.3	-86.6	0	0	0	111.7	M615 L623 L646 P647 T648 K654	M615-F650 HydrophobicContact CB-CE1 4.4Å; M615-F650 HydrophobicContact CE-CD1 3.6Å; M615-F650 HydrophobicContact CE-CE1 4.24Å; M615-F650 HydrophobicContact CE-CG 4.38Å; M615-F650 WeakPolarHBondContact CE-O 3.46Å; M615-F650 HydrophobicContact CG-CD1 4.23Å; M615-F650 HydrophobicContact CG-CE1 3.95Å; L623-F650 HydrophobicContact CB-CE2 4.42Å; L623-F650 HydrophobicContact CD1-CB 4.46Å; L623-F650 HydrophobicContact CD1-CD1 4.08Å; L623-F650 HydrophobicContact CD1-CD2 3.98Å; L623-F650 HydrophobicContact CD1-CE1 4.3Å; L623-F650 HydrophobicContact CD1-CE2 4.21Å; L623-F650 HydrophobicContact CD1-CG 3.92Å; L623-F650 HydrophobicContact CD1-CZ 4.35Å; L646-F650 HydrophobicContact CD1-CD2 3.96Å; L646-F650 HydrophobicContact CD1-CE2 3.65Å; L646-F650 HydrophobicContact CD2-CE2 4.4Å; L646-F650 HydrophobicContact CG-CD2 3.98Å; L646-F650 HydrophobicContact CG-CE2 3.83Å; L646-F650 WeakPolarHBondContact O-CD2 3.43Å; L646-F650 PolarHBondContact O-N 3.35Å; P647-F650 PolarHBondContact O-N 3.19Å; T648-F650 PolarHBondContact O-N 2.94Å; F650-K654 WeakPolarHBondContact O-CG 3.45Å; F650-K654 PolarHBondContact O-N 3.37Å; F650-K654 VanDerWaalsContact O-N 3.12Å
651	K	90.2	Very high	89	Confident	40 Å²	40	22.5 Å²	22.5	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-75.5	-38.5	-177.2	-60	173.5	-167.3	-166.1	0	112.4	Q322 S338 R340 P342 P647 T648 L649 A653 K654 S655	Q322-K651 HydrophobicContact CG-CB 3.76Å; S338-K651 PolarHBondContact O-NZ 3.21Å; R340-K651 PolarHBondContact O-NZ 2.9Å; P342-K651 HydrophobicContact CG-CD 4.46Å; P647-K651 VanDerWaalsContact O-CG 3.25Å; P647-K651 WeakPolarHBondContact O-CG 3.48Å; P647-K651 PolarHBondContact O-N 2.78Å; T648-K651 PolarHBondContact O-N 3.42Å; T648-K651 VanDerWaalsContact O-N 3.14Å; L649-K651 VanDerWaalsContact C-N 3.26Å; L649-K651 PolarHBondContact O-N 3.2Å; K651-A653 VanDerWaalsContact C-N 3.35Å; K651-A653 PolarHBondContact O-N 3.21Å; K651-K654 PolarHBondContact O-N 3Å; K651-S655 PolarHBondContact O-N 3.5Å; K651-S655 PolarHBondContact O-OG 3.34Å
652	L	93.7	Very high	89.6	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.1	-43.7	173.1	-68.1	179	0	0	0	111.7	L315 L318 L319 I554 T648 L649 S655 N656 A673 Y677	L315-L652 HydrophobicContact CD1-CD1 4.31Å; L315-L652 HydrophobicContact CD1-CD2 3.85Å; L318-L652 HydrophobicContact CB-CD2 3.76Å; L318-L652 HydrophobicContact CD1-CB 4.24Å; L318-L652 HydrophobicContact CD1-CD2 4.05Å; L319-L652 HydrophobicContact CD2-CD2 4.09Å; L319-L652 HydrophobicContact CG-CD2 4.5Å; I554-L652 HydrophobicContact CD1-CD1 4.21Å; T648-L652 HydrophobicContact CG2-CD1 4.06Å; T648-L652 HydrophobicContact CG2-CG 4.32Å; T648-L652 WeakPolarHBondContact O-CG 3.45Å; T648-L652 PolarHBondContact O-N 3.28Å; L649-L652 PolarHBondContact O-N 2.86Å; L652-S655 PolarHBondContact O-N 3.09Å; L652-N656 PolarHBondContact O-N 3.42Å; L652-A673 HydrophobicContact CB-CB 3.86Å; L652-Y677 HydrophobicContact CD1-CD2 4.46Å
653	A	94.1	Very high	89.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-43.9	177.3	0	0	0	0	0	111.9	M615 L623 L649 K651 N656 A657 D669 A673	M615-A653 HydrophobicContact CE-CB 3.75Å; M615-A653 HydrophobicContact SD-CB 4.42Å; L623-A653 HydrophobicContact CD1-CB 4.43Å; L649-A653 WeakPolarHBondContact O-CB 3.16Å; L649-A653 PolarHBondContact O-N 2.92Å; K651-A653 VanDerWaalsContact C-N 3.35Å; K651-A653 PolarHBondContact O-N 3.21Å; A653-N656 PolarHBondContact O-N 2.96Å; A653-A657 PolarHBondContact O-N 3.44Å; A653-A657 VanDerWaalsContact O-N 3.08Å; A653-D669 HydrophobicContact CB-CB 4.34Å; A653-A673 HydrophobicContact CB-CB 3.82Å
654	K	92	Very high	90.4	Very high	69 Å²	69	28.2 Å²	28.2	30%	0.3	16%	0.16	S	C	.	.	H	α-helix	trans	-61.3	-45.8	173.8	-74.5	-176.7	178.3	-164.9	0	112.4	V613 M615 F650 K651 N656 A657 K658	V613-K654 HydrophobicContact CB-CB 4.22Å; V613-K654 HydrophobicContact CB-CG 4.21Å; V613-K654 HydrophobicContact CG1-CB 4.37Å; V613-K654 HydrophobicContact CG1-CG 4.19Å; V613-K654 WeakPolarHBondContact O-CE 3.35Å; V613-K654 PolarHBondContact O-NZ 3.45Å; M615-K654 HydrophobicContact CE-CG 3.89Å; F650-K654 WeakPolarHBondContact O-CG 3.45Å; F650-K654 PolarHBondContact O-N 3.37Å; F650-K654 VanDerWaalsContact O-N 3.12Å; K651-K654 PolarHBondContact O-N 3Å; K654-N656 VanDerWaalsContact C-N 3.28Å; K654-N656 PolarHBondContact O-N 3.16Å; K654-A657 PolarHBondContact O-N 3.41Å; K654-K658 WeakPolarHBondContact O-CB 3.24Å; K654-K658 PolarHBondContact O-N 2.92Å
655	S	91.9	Very high	90.8	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-40.3	176.5	-71.7	0	0	0	0	112	L318 Q322 K651 L652 K658 I659	L318-S655 WeakPolarHBondContact O-CB 2.86Å; L318-S655 PolarHBondContact O-OG 3.29Å; Q322-S655 WeakPolarHBondContact CG-OG 3.39Å; K651-S655 PolarHBondContact O-N 3.5Å; K651-S655 PolarHBondContact O-OG 3.34Å; L652-S655 PolarHBondContact O-N 3.09Å; S655-K658 WeakPolarHBondContact O-CB 3.23Å; S655-K658 PolarHBondContact O-N 3.09Å; S655-I659 WeakPolarHBondContact O-CG1 3.31Å; S655-I659 PolarHBondContact O-N 2.82Å
656	N	94	Very high	91	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-44.8	179.6	-169	70.5	0	0	0	111.7	W314 L318 L652 A653 K654 K658 I659 N660 D669	W314-N656 PolarHBondContact NE1-OD1 3.44Å; W314-N656 VanDerWaalsContact NE1-OD1 3.17Å; L318-N656 HydrophobicContact CD2-CB 3.72Å; L652-N656 PolarHBondContact O-N 3.42Å; A653-N656 PolarHBondContact O-N 2.96Å; K654-N656 VanDerWaalsContact C-N 3.28Å; K654-N656 PolarHBondContact O-N 3.16Å; N656-K658 PolarHBondContact O-N 3.35Å; N656-I659 PolarHBondContact O-N 3.33Å; N656-N660 PolarHBondContact ND2-ND2 2.93Å; N656-N660 PolarHBondContact O-N 3.22Å; N656-N660 PolarHBondContact O-ND2 2.9Å; N656-D669 PolarHBondContact ND2-OD1 3.14Å
657	A	92.2	Very high	91.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.2	-42.1	173.8	0	0	0	0	0	111.3	V613 A653 K654 N660 G661 R662 A665 D669	V613-A657 HydrophobicContact CG1-CB 3.97Å; A653-A657 PolarHBondContact O-N 3.44Å; A653-A657 VanDerWaalsContact O-N 3.08Å; K654-A657 PolarHBondContact O-N 3.41Å; A657-N660 CarbonylContact O-C 3.53Å; A657-N660 PolarHBondContact O-N 3.27Å; A657-G661 PolarHBondContact O-N 3.35Å; A657-R662 HydrophobicContact CB-CB 4.37Å; A657-R662 PolarHBondContact O-N 3.24Å; A657-A665 HydrophobicContact CB-CB 3.74Å; A657-D669 WeakPolarHBondContact CB-OD2 3.5Å; A657-D669 PolarHBondContact N-OD1 3.35Å
658	K	89.7	Confident	91.6	Very high	13 Å²	13	28.7 Å²	28.7	6%	0.057	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-44.2	-178.3	-161.9	166.3	-169.3	-173.3	0	113.2	V321 E324 C607 V613 K654 S655 N656 N660 G661	V321-K658 HydrophobicContact CG1-CB 4.03Å; V321-K658 HydrophobicContact CG1-CD 3.78Å; V321-K658 HydrophobicContact CG1-CG 4.1Å; E324-K658 VanDerWaalsContact CG-NZ 3.3Å; E324-K658 WeakPolarHBondContact OE1-CD 3.06Å; E324-K658 WeakPolarHBondContact OE1-CE 3.45Å; E324-K658 IonicContact OE1-NZ 2.63Å; E324-K658 PolarHBondContact OE1-NZ 3.18Å; C607-K658 HydrophobicContact CB-CD 4.4Å; C607-K658 HydrophobicContact CB-CG 4.31Å; C607-K658 WeakPolarHBondContact O-CE 3.15Å; C607-K658 PolarHBondContact O-NZ 3.35Å; V613-K658 HydrophobicContact CG2-CB 3.98Å; V613-K658 HydrophobicContact CG2-CD 4.3Å; V613-K658 HydrophobicContact CG2-CG 4.21Å; K654-K658 WeakPolarHBondContact O-CB 3.24Å; K654-K658 PolarHBondContact O-N 2.92Å; S655-K658 WeakPolarHBondContact O-CB 3.23Å; S655-K658 PolarHBondContact O-N 3.09Å; N656-K658 PolarHBondContact O-N 3.35Å; K658-N660 VanDerWaalsContact C-N 3.26Å; K658-N660 PolarHBondContact O-N 3.42Å; K658-G661 PolarHBondContact O-N 3.08Å
659	I	90.6	Very high	91.8	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.036	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-36.9	175.2	-67.2	159.4	0	0	0	111.1	A292 F295 L317 L318 V321 S655 N656 G661	A292-I659 HydrophobicContact CB-CB 4.25Å; A292-I659 HydrophobicContact CB-CG2 3.73Å; F295-I659 HydrophobicContact CD2-CG2 4.19Å; L317-I659 HydrophobicContact CD2-CD1 3.9Å; L317-I659 HydrophobicContact CD2-CG2 4.38Å; L317-I659 HydrophobicContact CG-CD1 3.76Å; L318-I659 HydrophobicContact CD2-CD1 3.71Å; V321-I659 HydrophobicContact CB-CG1 4.44Å; V321-I659 HydrophobicContact CG1-CG1 4.42Å; V321-I659 HydrophobicContact CG2-CD1 3.95Å; V321-I659 HydrophobicContact CG2-CG1 3.67Å; S655-I659 WeakPolarHBondContact O-CG1 3.31Å; S655-I659 PolarHBondContact O-N 2.82Å; N656-I659 PolarHBondContact O-N 3.33Å; I659-G661 PolarHBondContact O-N 2.83Å
660	N	90.3	Very high	91.9	Very high	14 Å²	14	28.5 Å²	28.5	8%	0.075	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	6.9	175.5	-67.2	-60.2	0	0	0	113.3	E288 I291 A292 N656 A657 K658 R662	E288-N660 VanDerWaalsContact O-CG 3.29Å; E288-N660 PolarHBondContact O-OD1 3.47Å; I291-N660 WeakPolarHBondContact CB-OD1 3.48Å; I291-N660 PolarHBondContact N-OD1 2.88Å; A292-N660 WeakPolarHBondContact CB-ND2 3.47Å; A292-N660 PolarHBondContact N-OD1 3.18Å; N656-N660 PolarHBondContact ND2-ND2 2.93Å; N656-N660 PolarHBondContact O-N 3.22Å; N656-N660 PolarHBondContact O-ND2 2.9Å; A657-N660 CarbonylContact O-C 3.53Å; A657-N660 PolarHBondContact O-N 3.27Å; K658-N660 VanDerWaalsContact C-N 3.26Å; K658-N660 PolarHBondContact O-N 3.42Å; N660-R662 VanDerWaalsContact C-N 3.33Å; N660-R662 PolarHBondContact O-N 2.89Å
661	G	86.4	Confident	92.1	Very high	69 Å²	69	25.8 Å²	25.8	71%	0.711	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	17.4	177.3	0	0	0	0	0	114.7	A657 K658 I659	A657-G661 PolarHBondContact O-N 3.35Å; K658-G661 PolarHBondContact O-N 3.08Å; I659-G661 PolarHBondContact O-N 2.83Å
662	R	88.3	Confident	92.4	Very high	54 Å²	54	24 Å²	24	20%	0.204	14%	0.136	C	C	.	.			trans	-99	141.1	-178.8	-68.1	-175.6	-76.5	123.9	-1.5	111.7	E288 A657 N660 N666 D669	E288-R662 PolarHBondContact O-NH2 3.35Å; A657-R662 HydrophobicContact CB-CB 4.37Å; A657-R662 PolarHBondContact O-N 3.24Å; N660-R662 VanDerWaalsContact C-N 3.33Å; N660-R662 PolarHBondContact O-N 2.89Å; R662-N666 PolarHBondContact NH1-ND2 3.38Å; R662-N666 PolarHBondContact NH1-OD1 2.73Å; R662-D669 IonicContact CZ-OD1 3.84Å; R662-D669 IonicContact CZ-OD2 2.7Å; R662-D669 VanDerWaalsContact CZ-OD2 3.23Å; R662-D669 IonicContact NH1-OD1 2.9Å; R662-D669 IonicContact NH1-OD2 3.62Å; R662-D669 PolarHBondContact NH1-OD2 3.13Å; R662-D669 VanDerWaalsContact NH2-CG 3.26Å; R662-D669 IonicContact NH2-OD1 3.4Å; R662-D669 PolarHBondContact NH2-OD1 3.29Å; R662-D669 IonicContact NH2-OD2 3.76Å; R662-D669 PolarHBondContact NH2-OD2 3.44Å; R662-D669 VanDerWaalsContact NH2-OD2 3.14Å
663	I	88	Confident	92.4	Very high	110 Å²	110	24 Å²	24	56%	0.564	14%	0.136	S	C	*	.	S	Bend	trans	-93.4	-6.8	176.2	59.1	166.9	0	0	0	113.4	P611 V613 K614	P611-I663 HydrophobicContact CG-CG2 3.84Å; V613-I663 WeakPolarHBondContact CA-O 3.3Å; K614-I663 PolarHBondContact N-O 2.82Å
664	V	91.2	Very high	92.5	Very high	65 Å²	65	24 Å²	24	39%	0.394	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.9	174.3	-178.2	0	0	0	0	108.3	K614 E616	K614-V664 CarbonylContact O-C 3.52Å; K614-V664 VanDerWaalsContact O-CA 3.31Å; K614-V664 WeakPolarHBondContact O-CA 3.24Å; E616-V664 HydrophobicContact CB-CG1 4.27Å
665	A	92.8	Very high	92.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.4	173.1	0	0	0	0	0	109.7	V613 K614 M615 E616 A657 D669	V613-A665 HydrophobicContact CG1-CB 3.92Å; K614-A665 PolarHBondContact O-N 3.35Å; M615-A665 HydrophobicContact CE-CB 4.19Å; M615-A665 HydrophobicContact SD-CB 3.54Å; M615-A665 VanDerWaalsContact SD-CB 3.54Å; E616-A665 VanDerWaalsContact CB-O 3.26Å; E616-A665 WeakPolarHBondContact CB-O 3.48Å; E616-A665 PolarHBondContact N-O 3.49Å; A657-A665 HydrophobicContact CB-CB 3.74Å; A665-D669 VanDerWaalsContact CA-OD2 3.31Å; A665-D669 WeakPolarHBondContact CA-OD2 3.19Å; A665-D669 HydrophobicContact CB-CB 4.24Å
666	N	94.3	Very high	92.7	Very high	26 Å²	26	20.6 Å²	20.6	14%	0.139	12%	0.121	C	C	.	.			trans	-101.4	-176.9	-173.4	70.7	-0.5	0	0	0	112.1	E288 E616 A619 R662 L668 D669 A670	E288-N666 PolarHBondContact OE2-ND2 3.04Å; E616-N666 VanDerWaalsContact OE2-CA 3.31Å; E616-N666 WeakPolarHBondContact OE2-CA 3.42Å; E616-N666 WeakPolarHBondContact OE2-CB 3.38Å; A619-N666 WeakPolarHBondContact CB-O 3.36Å; R662-N666 PolarHBondContact NH1-ND2 3.38Å; R662-N666 PolarHBondContact NH1-OD1 2.73Å; N666-L668 PolarHBondContact O-N 2.86Å; N666-L668 WeakPolarHBondContact OD1-CB 3.45Å; N666-L668 PolarHBondContact OD1-N 3.2Å; N666-L668 VanDerWaalsContact OD1-N 3.14Å; N666-D669 PolarHBondContact N-OD2 3.24Å; N666-D669 PolarHBondContact O-N 3.47Å; N666-D669 PolarHBondContact OD1-N 3.38Å; N666-D669 PolarHBondContact OD1-OD2 2.91Å; N666-A670 PolarHBondContact O-N 3.38Å
667	E	94.4	Very high	92.7	Very high	43 Å²	43	20.8 Å²	20.8	20%	0.201	12%	0.122	C	C	.	.	H	α-helix	trans	-56.2	-35	177.9	-66.3	-177.1	-171.4	0	0	113.5	N618 L622 A670 T671 K721	N618-E667 HydrophobicContact CB-CG 3.62Å; N618-E667 WeakPolarHBondContact CB-OE1 3.35Å; N618-E667 PolarHBondContact ND2-OE1 2.95Å; L622-E667 HydrophobicContact CD1-CB 3.7Å; L622-E667 HydrophobicContact CD1-CG 3.85Å; E667-A670 PolarHBondContact O-N 3.21Å; E667-T671 WeakPolarHBondContact O-CB 3.38Å; E667-T671 PolarHBondContact O-N 2.87Å; E667-T671 PolarHBondContact O-OG1 3.03Å; E667-K721 WeakPolarHBondContact OE2-CE 3.34Å; E667-K721 IonicContact OE2-NZ 2.73Å; E667-K721 PolarHBondContact OE2-NZ 3.45Å
668	L	94.6	Very high	92.7	Very high	28 Å²	28	21 Å²	21	15%	0.147	12%	0.123	C	C	.	.	H	α-helix	trans	-69.9	-39.4	-179.9	-169.2	66.3	0	0	0	111.7	E288 F289 N666 A670 T671 I672 L713	E288-L668 HydrophobicContact CB-CD2 3.74Å; E288-L668 HydrophobicContact CG-CD2 4.29Å; E288-L668 WeakPolarHBondContact OE2-CD2 3.43Å; F289-L668 HydrophobicContact CD1-CD2 3.78Å; F289-L668 HydrophobicContact CD1-CG 4.48Å; N666-L668 PolarHBondContact O-N 2.86Å; N666-L668 WeakPolarHBondContact OD1-CB 3.45Å; N666-L668 PolarHBondContact OD1-N 3.2Å; N666-L668 VanDerWaalsContact OD1-N 3.14Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-A670 PolarHBondContact O-N 3.2Å; L668-T671 WeakPolarHBondContact O-CB 3.17Å; L668-T671 PolarHBondContact O-N 3.27Å; L668-I672 HydrophobicContact CG-CD1 4.19Å; L668-I672 WeakPolarHBondContact O-CG1 3.26Å; L668-I672 PolarHBondContact O-N 2.97Å; L668-L713 HydrophobicContact CD1-CB 4.28Å; L668-L713 HydrophobicContact CD1-CD1 4.3Å
669	D	95.1	Very high	92.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-42.6	173.9	-63.4	-51.4	0	0	0	112.2	A653 N656 A657 R662 A665 N666 T671 I672 A673	A653-D669 HydrophobicContact CB-CB 4.34Å; N656-D669 PolarHBondContact ND2-OD1 3.14Å; A657-D669 WeakPolarHBondContact CB-OD2 3.5Å; A657-D669 PolarHBondContact N-OD1 3.35Å; R662-D669 IonicContact CZ-OD1 3.84Å; R662-D669 IonicContact CZ-OD2 2.7Å; R662-D669 VanDerWaalsContact CZ-OD2 3.23Å; R662-D669 IonicContact NH1-OD1 2.9Å; R662-D669 IonicContact NH1-OD2 3.62Å; R662-D669 PolarHBondContact NH1-OD2 3.13Å; R662-D669 VanDerWaalsContact NH2-CG 3.26Å; R662-D669 IonicContact NH2-OD1 3.4Å; R662-D669 PolarHBondContact NH2-OD1 3.29Å; R662-D669 IonicContact NH2-OD2 3.76Å; R662-D669 PolarHBondContact NH2-OD2 3.44Å; R662-D669 VanDerWaalsContact NH2-OD2 3.14Å; A665-D669 VanDerWaalsContact CA-OD2 3.31Å; A665-D669 WeakPolarHBondContact CA-OD2 3.19Å; A665-D669 HydrophobicContact CB-CB 4.24Å; N666-D669 PolarHBondContact N-OD2 3.24Å; N666-D669 PolarHBondContact O-N 3.47Å; N666-D669 PolarHBondContact OD1-N 3.38Å; N666-D669 PolarHBondContact OD1-OD2 2.91Å; D669-T671 VanDerWaalsContact C-N 3.3Å; D669-T671 PolarHBondContact O-N 2.79Å; D669-I672 PolarHBondContact O-N 3.48Å; D669-A673 WeakPolarHBondContact O-CB 3.42Å; D669-A673 PolarHBondContact O-N 2.68Å
670	A	95.2	Very high	92.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.9	-42	173.7	0	0	0	0	0	111.1	A619 L622 L623 N666 E667 L668 A673 I674	A619-A670 HydrophobicContact CB-CB 3.97Å; L622-A670 HydrophobicContact CB-CB 4.37Å; L623-A670 HydrophobicContact CD2-CB 3.82Å; L623-A670 HydrophobicContact CG-CB 3.96Å; N666-A670 PolarHBondContact O-N 3.38Å; E667-A670 PolarHBondContact O-N 3.21Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-A670 PolarHBondContact O-N 3.2Å; A670-A673 PolarHBondContact O-N 3.44Å; A670-I674 WeakPolarHBondContact O-CB 3.2Å; A670-I674 WeakPolarHBondContact O-CD1 3.49Å; A670-I674 VanDerWaalsContact O-CG1 3.23Å; A670-I674 WeakPolarHBondContact O-CG1 3.15Å; A670-I674 PolarHBondContact O-N 3.02Å
671	T	95.6	Very high	92.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.4	-42.8	177.9	-53.3	0	0	0	0	111.5	E667 L668 D669 I674 Y675 L713 I716 N717	E667-T671 WeakPolarHBondContact O-CB 3.38Å; E667-T671 PolarHBondContact O-N 2.87Å; E667-T671 PolarHBondContact O-OG1 3.03Å; L668-T671 WeakPolarHBondContact O-CB 3.17Å; L668-T671 PolarHBondContact O-N 3.27Å; D669-T671 VanDerWaalsContact C-N 3.3Å; D669-T671 PolarHBondContact O-N 2.79Å; T671-I674 PolarHBondContact O-N 3.16Å; T671-Y675 VanDerWaalsContact O-CB 3.31Å; T671-Y675 WeakPolarHBondContact O-CB 3.2Å; T671-Y675 PolarHBondContact O-N 3.36Å; T671-L713 HydrophobicContact CG2-CB 4.42Å; T671-L713 HydrophobicContact CG2-CD2 4.11Å; T671-I716 HydrophobicContact CG2-CB 4.15Å; T671-I716 HydrophobicContact CG2-CG2 3.88Å; T671-N717 HydrophobicContact CG2-CB 4.12Å; T671-N717 PolarHBondContact OG1-ND2 3.36Å
672	I	95.3	Very high	92.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-66.3	-44.6	177.4	-70.9	165.4	0	0	0	111.1	F289 W314 L668 D669 I674 Y675 I676 L713	F289-I672 HydrophobicContact CB-CD1 3.37Å; F289-I672 HydrophobicContact CD1-CD1 4.25Å; F289-I672 HydrophobicContact CG-CD1 3.98Å; W314-I672 HydrophobicContact CH2-CD1 4.39Å; W314-I672 HydrophobicContact CH2-CG2 4.14Å; W314-I672 HydrophobicContact CZ2-CD1 4.3Å; W314-I672 HydrophobicContact CZ2-CG2 3.74Å; L668-I672 HydrophobicContact CG-CD1 4.19Å; L668-I672 WeakPolarHBondContact O-CG1 3.26Å; L668-I672 PolarHBondContact O-N 2.97Å; D669-I672 PolarHBondContact O-N 3.48Å; I672-I674 VanDerWaalsContact C-N 3.32Å; I672-I674 PolarHBondContact O-N 3.35Å; I672-Y675 PolarHBondContact O-N 3.18Å; I672-I676 HydrophobicContact CG2-CD1 3.82Å; I672-I676 HydrophobicContact CG2-CG1 4.47Å; I672-I676 WeakPolarHBondContact O-CG1 3.32Å; I672-I676 PolarHBondContact O-N 3.31Å; I672-L713 HydrophobicContact CD1-CD1 4.16Å; I672-L713 HydrophobicContact CG1-CD1 3.78Å; I672-L713 HydrophobicContact CG1-CD2 3.85Å; I672-L713 HydrophobicContact CG1-CG 4.49Å
673	A	95.1	Very high	92	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-44.6	176.3	0	0	0	0	0	111.4	L652 A653 D669 A670 Y677	L652-A673 HydrophobicContact CB-CB 3.86Å; A653-A673 HydrophobicContact CB-CB 3.82Å; D669-A673 WeakPolarHBondContact O-CB 3.42Å; D669-A673 PolarHBondContact O-N 2.68Å; A670-A673 PolarHBondContact O-N 3.44Å; A673-Y677 WeakPolarHBondContact O-CB 3.3Å; A673-Y677 PolarHBondContact O-N 2.95Å
674	I	94.9	Very high	91.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.3	-48.7	174.3	-73.1	166.1	0	0	0	110.6	L623 Y626 L649 A670 T671 I672 I676 Y677 D678 L690 L720	L623-I674 HydrophobicContact CD2-CD1 3.79Å; L623-I674 HydrophobicContact CD2-CG1 3.67Å; Y626-I674 HydrophobicContact CD1-CG1 3.98Å; Y626-I674 HydrophobicContact CD1-CG2 4.25Å; Y626-I674 HydrophobicContact CD2-CG2 3.55Å; Y626-I674 HydrophobicContact CE1-CG2 4.42Å; Y626-I674 HydrophobicContact CE2-CG2 3.75Å; Y626-I674 HydrophobicContact CG-CD1 4.09Å; Y626-I674 HydrophobicContact CG-CG1 3.93Å; Y626-I674 HydrophobicContact CG-CG2 3.82Å; L649-I674 HydrophobicContact CD2-CG1 4.06Å; A670-I674 WeakPolarHBondContact O-CB 3.2Å; A670-I674 WeakPolarHBondContact O-CD1 3.49Å; A670-I674 VanDerWaalsContact O-CG1 3.23Å; A670-I674 WeakPolarHBondContact O-CG1 3.15Å; A670-I674 PolarHBondContact O-N 3.02Å; T671-I674 PolarHBondContact O-N 3.16Å; I672-I674 VanDerWaalsContact C-N 3.32Å; I672-I674 PolarHBondContact O-N 3.35Å; I674-I676 PolarHBondContact O-N 3.07Å; I674-Y677 PolarHBondContact O-N 3.11Å; I674-D678 WeakPolarHBondContact O-CB 3.27Å; I674-D678 PolarHBondContact O-N 3.47Å; I674-L690 HydrophobicContact CG2-CD1 3.69Å; I674-L720 HydrophobicContact CD1-CD1 3.59Å; I674-L720 HydrophobicContact CD1-CD2 4.41Å; I674-L720 HydrophobicContact CG2-CD1 4.25Å
675	Y	94.6	Very high	90.9	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.012	6%	0.059	C	C	.	.	H	α-helix	trans	-58.7	-47.5	-178.6	169.5	-117.4	0	0	0	112.5	L311 T671 I672 T679 K693 F695 L709 I712 L713 I716	L311-Y675 HydrophobicContact CD1-CE1 4.43Å; L311-Y675 HydrophobicContact CD2-CD1 4.41Å; L311-Y675 HydrophobicContact CD2-CE1 3.65Å; T671-Y675 VanDerWaalsContact O-CB 3.31Å; T671-Y675 WeakPolarHBondContact O-CB 3.2Å; T671-Y675 PolarHBondContact O-N 3.36Å; I672-Y675 PolarHBondContact O-N 3.18Å; Y675-T679 PolarHBondContact O-N 3.25Å; Y675-T679 VanDerWaalsContact O-N 3.17Å; Y675-T679 PolarHBondContact O-OG1 3.38Å; Y675-K693 PolarHBondContact OH-O 2.9Å; Y675-F695 WeakPolarHBondContact OH-CB 3.47Å; Y675-F695 PolarHBondContact OH-N 3.1Å; Y675-L709 HydrophobicContact CE1-CD1 3.79Å; Y675-I712 HydrophobicContact CE2-CG2 4.27Å; Y675-L713 HydrophobicContact CD1-CD2 4.24Å; Y675-L713 HydrophobicContact CG-CD2 4.31Å; Y675-I716 HydrophobicContact CD2-CD1 3.5Å; Y675-I716 VanDerWaalsContact CD2-CD1 3.5Å; Y675-I716 HydrophobicContact CE2-CD1 4.28Å; Y675-I716 HydrophobicContact CG-CD1 4.06Å
676	I	94	Very high	90	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.4	-45.3	177.5	-66.1	171.4	0	0	0	110.4	L311 W314 L315 L318 I672 I674 T679 F680	L311-I676 HydrophobicContact CD2-CG1 4.37Å; W314-I676 HydrophobicContact CB-CD1 4.3Å; W314-I676 HydrophobicContact CD2-CD1 3.92Å; W314-I676 HydrophobicContact CE3-CD1 4.37Å; W314-I676 HydrophobicContact CG-CD1 3.86Å; L315-I676 HydrophobicContact CB-CG2 3.99Å; L315-I676 HydrophobicContact CD1-CG2 4.13Å; L318-I676 HydrophobicContact CD1-CD1 3.82Å; I672-I676 HydrophobicContact CG2-CD1 3.82Å; I672-I676 HydrophobicContact CG2-CG1 4.47Å; I672-I676 WeakPolarHBondContact O-CG1 3.32Å; I672-I676 PolarHBondContact O-N 3.31Å; I674-I676 PolarHBondContact O-N 3.07Å; I676-T679 PolarHBondContact O-N 3.13Å; I676-F680 HydrophobicContact CG2-CD2 4.12Å; I676-F680 HydrophobicContact CG2-CE2 3.95Å; I676-F680 WeakPolarHBondContact O-CD2 3.29Å; I676-F680 PolarHBondContact O-N 2.89Å
677	Y	93.7	Very high	89.2	Confident	3 Å²	3	12.7 Å²	12.7	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-65.1	-45.6	-179	-172.3	-97	0	0	0	112.1	I554 Y626 M630 A645 T648 L649 L652 A673 I674 T679 F680 I681	I554-Y677 HydrophobicContact CD1-CD2 4.49Å; I554-Y677 HydrophobicContact CG1-CD2 4.32Å; I554-Y677 HydrophobicContact CG1-CE2 4.13Å; Y626-Y677 AromaticContact CE1-CD1 3.99Å; Y626-Y677 HydrophobicContact CE1-CD1 3.99Å; Y626-Y677 HydrophobicContact CE1-CE1 4.5Å; M630-Y677 HydrophobicContact SD-CE1 4.16Å; A645-Y677 WeakPolarHBondContact CA-OH 3.32Å; A645-Y677 HydrophobicContact CB-CE1 3.97Å; A645-Y677 WeakPolarHBondContact CB-OH 3.47Å; T648-Y677 HydrophobicContact CG2-CD2 4.12Å; T648-Y677 HydrophobicContact CG2-CE2 3.95Å; L649-Y677 HydrophobicContact CD2-CD1 4.01Å; L649-Y677 HydrophobicContact CD2-CD2 4.49Å; L649-Y677 HydrophobicContact CD2-CG 3.78Å; L649-Y677 HydrophobicContact CG-CD1 4.31Å; L649-Y677 HydrophobicContact CG-CG 4.27Å; L652-Y677 HydrophobicContact CD1-CD2 4.46Å; A673-Y677 WeakPolarHBondContact O-CB 3.3Å; A673-Y677 PolarHBondContact O-N 2.95Å; I674-Y677 PolarHBondContact O-N 3.11Å; Y677-T679 VanDerWaalsContact C-N 3.27Å; Y677-T679 PolarHBondContact O-N 3.45Å; Y677-F680 PolarHBondContact O-N 2.71Å; Y677-F680 VanDerWaalsContact O-N 3.13Å; Y677-I681 HydrophobicContact CD1-CB 4.26Å; Y677-I681 HydrophobicContact CE1-CB 4.01Å; Y677-I681 HydrophobicContact CE1-CD1 3.9Å; Y677-I681 HydrophobicContact CE1-CG1 3.83Å; Y677-I681 WeakPolarHBondContact O-CB 3.44Å; Y677-I681 PolarHBondContact O-N 2.52Å; Y677-I681 WeakPolarHBondContact OH-CD1 3.46Å
678	D	91.9	Very high	88.5	Confident	4 Å²	4	14.1 Å²	14.1	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-63.3	-34.4	-179.7	-162.1	62.8	0	0	0	112.3	Y626 I674 F680 I681 N688 Y689 L690	Y626-D678 HydrophobicContact CE2-CB 4.17Å; Y626-D678 WeakPolarHBondContact CE2-OD1 3.5Å; Y626-D678 WeakPolarHBondContact OH-CA 3.47Å; Y626-D678 WeakPolarHBondContact OH-CB 3.38Å; Y626-D678 PolarHBondContact OH-OD1 3.09Å; I674-D678 WeakPolarHBondContact O-CB 3.27Å; I674-D678 PolarHBondContact O-N 3.47Å; D678-F680 VanDerWaalsContact C-N 3.32Å; D678-F680 PolarHBondContact O-N 2.87Å; D678-I681 WeakPolarHBondContact O-CG2 3.38Å; D678-N688 PolarHBondContact OD2-OD1 3.16Å; D678-Y689 WeakPolarHBondContact OD1-CB 3.5Å; D678-Y689 WeakPolarHBondContact OD1-CD2 3.49Å; D678-Y689 PolarHBondContact OD1-N 3.02Å; D678-Y689 PolarHBondContact OD2-N 3.15Å; D678-L690 HydrophobicContact CB-CD1 3.9Å; D678-L690 HydrophobicContact CB-CG 4.35Å; D678-L690 VanDerWaalsContact OD2-CB 3.25Å; D678-L690 WeakPolarHBondContact OD2-CB 3.42Å; D678-L690 VanDerWaalsContact OD2-CG 3.29Å; D678-L690 WeakPolarHBondContact OD2-CG 3.29Å; D678-L690 PolarHBondContact OD2-N 3.09Å
679	T	90.9	Very high	87.9	Confident	12 Å²	12	15.3 Å²	15.3	7%	0.074	9%	0.089	C	C	.	.	H	α-helix	trans	-59.1	-45.2	174.4	-60.4	0	0	0	0	111	L311 Y675 I676 Y677 S682 H696	L311-T679 HydrophobicContact CD1-CG2 3.9Å; Y675-T679 PolarHBondContact O-N 3.25Å; Y675-T679 VanDerWaalsContact O-N 3.17Å; Y675-T679 PolarHBondContact O-OG1 3.38Å; I676-T679 PolarHBondContact O-N 3.13Å; Y677-T679 VanDerWaalsContact C-N 3.27Å; Y677-T679 PolarHBondContact O-N 3.45Å; T679-S682 PolarHBondContact O-OG 3.49Å; T679-H696 VanDerWaalsContact CG2-CE1 3.44Å; T679-H696 WeakPolarHBondContact CG2-CE1 3.45Å
680	F	90.4	Very high	87.4	Confident	4 Å²	4	16.2 Å²	16.2	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-93.2	-23.3	-173.5	-62.5	-53.7	0	0	0	114.4	L311 L312 L315 I554 V555 V556 A561 I676 Y677 D678 S682 N683	L311-F680 HydrophobicContact CB-CE2 4.23Å; L311-F680 HydrophobicContact CB-CZ 3.88Å; L312-F680 HydrophobicContact CB-CZ 4.26Å; L315-F680 HydrophobicContact CB-CE2 4.26Å; L315-F680 HydrophobicContact CD2-CD2 3.83Å; L315-F680 HydrophobicContact CD2-CE2 3.84Å; I554-F680 HydrophobicContact CG2-CB 4.14Å; V555-F680 VanDerWaalsContact O-O 3.14Å; V556-F680 HydrophobicContact CB-CD1 4.1Å; V556-F680 HydrophobicContact CB-CE1 4.37Å; V556-F680 HydrophobicContact CG1-CD1 3.61Å; V556-F680 HydrophobicContact CG1-CE1 3.46Å; V556-F680 VanDerWaalsContact CG1-CE1 3.46Å; V556-F680 HydrophobicContact CG1-CG 4.43Å; V556-F680 HydrophobicContact CG1-CZ 4.18Å; V556-F680 HydrophobicContact CG2-CB 4.06Å; V556-F680 HydrophobicContact CG2-CD1 3.73Å; V556-F680 HydrophobicContact CG2-CD2 4.05Å; V556-F680 HydrophobicContact CG2-CE1 4.13Å; V556-F680 HydrophobicContact CG2-CE2 4.41Å; V556-F680 HydrophobicContact CG2-CG 3.68Å; V556-F680 HydrophobicContact CG2-CZ 4.45Å; A561-F680 HydrophobicContact CB-CE1 3.98Å; I676-F680 HydrophobicContact CG2-CD2 4.12Å; I676-F680 HydrophobicContact CG2-CE2 3.95Å; I676-F680 WeakPolarHBondContact O-CD2 3.29Å; I676-F680 PolarHBondContact O-N 2.89Å; Y677-F680 PolarHBondContact O-N 2.71Å; Y677-F680 VanDerWaalsContact O-N 3.13Å; D678-F680 VanDerWaalsContact C-N 3.32Å; D678-F680 PolarHBondContact O-N 2.87Å; F680-S682 PolarHBondContact O-N 2.85Å; F680-N683 WeakPolarHBondContact O-CB 3.46Å; F680-N683 PolarHBondContact O-N 2.67Å; F680-N683 PolarHBondContact O-ND2 3.04Å
681	I	87.3	Confident	86.7	Confident	4 Å²	4	19.2 Å²	19.2	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-23.8	178.9	-161.3	55.2	0	0	0	112.1	M630 P642 Y677 D678 N683 Q684 T685 Y689	M630-I681 HydrophobicContact SD-CG1 4.19Å; P642-I681 HydrophobicContact CG-CD1 3.85Å; Y677-I681 HydrophobicContact CD1-CB 4.26Å; Y677-I681 HydrophobicContact CE1-CB 4.01Å; Y677-I681 HydrophobicContact CE1-CD1 3.9Å; Y677-I681 HydrophobicContact CE1-CG1 3.83Å; Y677-I681 WeakPolarHBondContact O-CB 3.44Å; Y677-I681 PolarHBondContact O-N 2.52Å; Y677-I681 WeakPolarHBondContact OH-CD1 3.46Å; D678-I681 WeakPolarHBondContact O-CG2 3.38Å; I681-N683 PolarHBondContact O-N 2.97Å; I681-Q684 HydrophobicContact CD1-CB 4.29Å; I681-Q684 VanDerWaalsContact CD1-OE1 3.29Å; I681-Q684 PolarHBondContact O-N 2.95Å; I681-T685 HydrophobicContact CD1-CG2 4.29Å; I681-T685 HydrophobicContact CG1-CG2 3.96Å; I681-T685 PolarHBondContact O-N 3.33Å; I681-T685 PolarHBondContact O-OG1 3.3Å; I681-Y689 HydrophobicContact CG2-CD2 4.13Å; I681-Y689 HydrophobicContact CG2-CE2 4.01Å
682	S	83.3	Confident	86.1	Confident	31 Å²	31	20.3 Å²	20.3	22%	0.217	13%	0.132	C	C	.	.	H	α-helix	trans	-55.1	-27.5	170.8	68.9	0	0	0	0	112.4	T679 F680 Q684 G686	T679-S682 PolarHBondContact O-OG 3.49Å; F680-S682 PolarHBondContact O-N 2.85Å; S682-Q684 VanDerWaalsContact C-N 3.33Å; S682-Q684 PolarHBondContact O-N 3.17Å; S682-G686 WeakPolarHBondContact O-CA 3.36Å; S682-G686 PolarHBondContact O-N 3.16Å
683	N	80.4	Confident	85.5	Confident	43 Å²	43	26.4 Å²	26.4	23%	0.23	16%	0.159	C	C	.	.	H	α-helix	trans	-72	-25.4	176	-63.5	-46.2	0	0	0	113.4	V555 N557 F680 I681	V555-N683 HydrophobicContact CG1-CB 4.27Å; V555-N683 WeakPolarHBondContact O-CB 3.3Å; V555-N683 PolarHBondContact O-ND2 3.26Å; V555-N683 VanDerWaalsContact O-ND2 3.17Å; N557-N683 PolarHBondContact N-ND2 2.83Å; F680-N683 WeakPolarHBondContact O-CB 3.46Å; F680-N683 PolarHBondContact O-N 2.67Å; F680-N683 PolarHBondContact O-ND2 3.04Å; I681-N683 PolarHBondContact O-N 2.97Å
684	Q	76.8	Confident	85	Confident	31 Å²	31	28.1 Å²	28.1	15%	0.145	17%	0.171	C	C	.	.	H	α-helix	trans	-95.7	-39.2	177.5	-61.6	-174.6	-16.9	0	0	112.1	F552 V555 I681 S682	F552-Q684 PolarHBondContact O-NE2 3.21Å; V555-Q684 HydrophobicContact CB-CG 3.68Å; V555-Q684 HydrophobicContact CG2-CG 3.78Å; I681-Q684 HydrophobicContact CD1-CB 4.29Å; I681-Q684 VanDerWaalsContact CD1-OE1 3.29Å; I681-Q684 PolarHBondContact O-N 2.95Å; S682-Q684 VanDerWaalsContact C-N 3.33Å; S682-Q684 PolarHBondContact O-N 3.17Å
685	T	77.5	Confident	84.5	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-104.5	-1.6	-173.2	62.2	0	0	0	0	112.2	K639 I681 T687	K639-T685 WeakPolarHBondContact CD-O 3.27Å; K639-T685 VanDerWaalsContact CE-O 3.25Å; K639-T685 WeakPolarHBondContact CE-O 3.38Å; K639-T685 PolarHBondContact NZ-O 3.4Å; I681-T685 HydrophobicContact CD1-CG2 4.29Å; I681-T685 HydrophobicContact CG1-CG2 3.96Å; I681-T685 PolarHBondContact O-N 3.33Å; I681-T685 PolarHBondContact O-OG1 3.3Å; T685-T687 WeakPolarHBondContact CB-OG1 3.22Å; T685-T687 WeakPolarHBondContact O-CG2 3.24Å; T685-T687 PolarHBondContact O-N 2.64Å; T685-T687 PolarHBondContact O-OG1 3.47Å; T685-T687 VanDerWaalsContact O-OG1 3.08Å; T685-T687 PolarHBondContact OG1-O 2.97Å; T685-T687 PolarHBondContact OG1-OG1 3.36Å
686	G	75.1	Confident	84	Confident	37 Å²	37	29.9 Å²	29.9	38%	0.381	18%	0.179	S	C	.	.	S	Bend	trans	48.4	24.3	-176.8	0	0	0	0	0	114.8	K639 S682	K639-G686 VanDerWaalsContact NZ-CA 3.26Å; K639-G686 PolarHBondContact NZ-O 3.38Å; S682-G686 WeakPolarHBondContact O-CA 3.36Å; S682-G686 PolarHBondContact O-N 3.16Å
687	T	77	Confident	83.7	Confident	22 Å²	22	32.7 Å²	32.7	14%	0.135	19%	0.19	C	C	.	.			trans	-139.9	123.8	-173.8	47.6	0	0	0	0	108	D637 T685 Y689	D637-T687 HydrophobicContact CB-CG2 4.18Å; D637-T687 VanDerWaalsContact OD2-CG2 3.3Å; D637-T687 WeakPolarHBondContact OD2-CG2 3.29Å; T685-T687 WeakPolarHBondContact CB-OG1 3.22Å; T685-T687 WeakPolarHBondContact O-CG2 3.24Å; T685-T687 PolarHBondContact O-N 2.64Å; T685-T687 PolarHBondContact O-OG1 3.47Å; T685-T687 VanDerWaalsContact O-OG1 3.08Å; T685-T687 PolarHBondContact OG1-O 2.97Å; T685-T687 PolarHBondContact OG1-OG1 3.36Å; T687-Y689 WeakPolarHBondContact OG1-CE1 3.1Å; T687-Y689 PolarHBondContact OG1-OH 2.74Å
688	N	80.9	Confident	83.3	Confident	72 Å²	72	32.9 Å²	32.9	39%	0.385	19%	0.191	S	C	.	.			trans	-96.1	111.8	169.9	177.4	-13	0	0	0	107.2	D678 L690 G691	D678-N688 PolarHBondContact OD2-OD1 3.16Å; N688-L690 PolarHBondContact OD1-N 3.45Å; N688-G691 PolarHBondContact OD1-N 2.78Å
689	Y	82.1	Confident	82.8	Confident	53 Å²	53	37.7 Å²	37.7	21%	0.208	22%	0.221	C	C	.	.	S	Bend	trans	-82.6	-29.2	-168.5	-59.8	-73.9	0	0	0	112.9	M630 S633 S634 D678 I681 T687	M630-Y689 HydrophobicContact CB-CD2 4.47Å; M630-Y689 HydrophobicContact CB-CE2 4.36Å; M630-Y689 HydrophobicContact CG-CD2 3.96Å; M630-Y689 HydrophobicContact CG-CE1 4.5Å; M630-Y689 HydrophobicContact CG-CE2 3.44Å; M630-Y689 VanDerWaalsContact CG-CE2 3.44Å; M630-Y689 HydrophobicContact SD-CE2 4.24Å; S633-Y689 VanDerWaalsContact CB-CE1 3.48Å; S633-Y689 WeakPolarHBondContact OG-CD1 3.46Å; S633-Y689 WeakPolarHBondContact OG-CE1 3.14Å; S634-Y689 PolarHBondContact OG-OH 3.31Å; D678-Y689 WeakPolarHBondContact OD1-CB 3.5Å; D678-Y689 WeakPolarHBondContact OD1-CD2 3.49Å; D678-Y689 PolarHBondContact OD1-N 3.02Å; D678-Y689 PolarHBondContact OD2-N 3.15Å; I681-Y689 HydrophobicContact CG2-CD2 4.13Å; I681-Y689 HydrophobicContact CG2-CE2 4.01Å; T687-Y689 WeakPolarHBondContact OG1-CE1 3.1Å; T687-Y689 PolarHBondContact OG1-OH 2.74Å
690	L	84.3	Confident	82.4	Confident	20 Å²	20	37.7 Å²	37.7	11%	0.105	22%	0.223	C	C	.	.	S	Bend	trans	-90.3	-19.5	177.8	-61.8	173	0	0	0	112.8	Y626 I674 D678 N688 S692 I716 L720	Y626-L690 HydrophobicContact CE2-CG 4.4Å; I674-L690 HydrophobicContact CG2-CD1 3.69Å; D678-L690 HydrophobicContact CB-CD1 3.9Å; D678-L690 HydrophobicContact CB-CG 4.35Å; D678-L690 VanDerWaalsContact OD2-CB 3.25Å; D678-L690 WeakPolarHBondContact OD2-CB 3.42Å; D678-L690 VanDerWaalsContact OD2-CG 3.29Å; D678-L690 WeakPolarHBondContact OD2-CG 3.29Å; D678-L690 PolarHBondContact OD2-N 3.09Å; N688-L690 PolarHBondContact OD1-N 3.45Å; L690-S692 PolarHBondContact O-N 2.75Å; L690-I716 HydrophobicContact CD1-CD1 4.41Å; L690-I716 HydrophobicContact CD1-CG1 4.49Å; L690-I716 HydrophobicContact CD1-CG2 3.8Å; L690-I716 HydrophobicContact CD2-CG2 4.39Å; L690-L720 HydrophobicContact CD2-CD2 4.26Å
691	G	80.1	Confident	82	Confident	63 Å²	63	40 Å²	40	65%	0.649	24%	0.235	S	C	*	.			trans	58.9	20.1	-177	0	0	0	0	0	113.4	N688	N688-G691 PolarHBondContact OD1-N 2.78Å
692	S	82	Confident	81.9	Confident	22 Å²	22	45.6 Å²	45.6	15%	0.154	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-79	149.4	-175.8	-68.3	0	0	0	0	111.3	L690 S694 I716	L690-S692 PolarHBondContact O-N 2.75Å; S692-S694 PolarHBondContact O-N 3.34Å; S692-I716 VanDerWaalsContact OG-CG1 3.31Å; S692-I716 WeakPolarHBondContact OG-CG1 3.43Å
693	K	84.2	Confident	82.1	Confident	129 Å²	129	48.5 Å²	48.5	56%	0.561	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-65.8	122.7	174.8	179	-175	170.6	-165.6	0	109.6	Y675 F695 E708 I712	Y675-K693 PolarHBondContact OH-O 2.9Å; K693-F695 HydrophobicContact CD-CE2 4.03Å; K693-F695 HydrophobicContact CG-CE2 4.22Å; K693-E708 IonicContact NZ-OE1 2.78Å; K693-E708 PolarHBondContact NZ-OE1 3.13Å; K693-I712 HydrophobicContact CB-CD1 4.4Å
694	S	83.3	Confident	82.5	Confident	37 Å²	37	51.7 Å²	51.7	26%	0.259	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-84.7	127.8	179.7	-46.2	0	0	0	0	112.2	S692 H696	S692-S694 PolarHBondContact O-N 3.34Å; S694-H696 VanDerWaalsContact CB-CD2 3.47Å; S694-H696 WeakPolarHBondContact CB-CD2 3.43Å; S694-H696 WeakPolarHBondContact CB-NE2 3.06Å; S694-H696 PolarHBondContact O-N 3.46Å
695	F	84.1	Confident	83.1	Confident	13 Å²	13	50.8 Å²	50.8	6%	0.057	29%	0.285	C	S	.	.			trans	-88.7	63.8	179.9	-87.3	-114.9	0	0	0	112.4	F310 L311 Y675 K693 Y697 I698 E708 I712	F310-F695 WeakPolarHBondContact CD1-O 3.39Å; L311-F695 WeakPolarHBondContact CG-O 2.94Å; Y675-F695 WeakPolarHBondContact OH-CB 3.47Å; Y675-F695 PolarHBondContact OH-N 3.1Å; K693-F695 HydrophobicContact CD-CE2 4.03Å; K693-F695 HydrophobicContact CG-CE2 4.22Å; F695-Y697 PolarHBondContact O-N 3.35Å; F695-I698 HydrophobicContact CD1-CG1 4.37Å; F695-E708 HydrophobicContact CE1-CB 4.17Å; F695-E708 HydrophobicContact CE1-CG 4.14Å; F695-E708 HydrophobicContact CZ-CB 4.07Å; F695-E708 HydrophobicContact CZ-CG 3.61Å; F695-E708 VanDerWaalsContact CZ-OE1 3.25Å; F695-E708 WeakPolarHBondContact CZ-OE1 3.28Å; F695-I712 HydrophobicContact CD2-CD1 3.76Å; F695-I712 HydrophobicContact CE2-CD1 3.04Å; F695-I712 HydrophobicContact CZ-CD1 3.74Å
696	H	85.9	Confident	83.7	Confident	26 Å²	26	50.8 Å²	50.8	12%	0.12	29%	0.285	C	S	.	.			trans	-68.8	-22.6	179.6	-67.7	-62.2	0	0	0	114.1	F309 F310 D560 A561 G563 T679 S694	F309-H696 PolarHBondContact N-O 3.14Å; F310-H696 PolarHBondContact N-O 2.93Å; D560-H696 PolarHBondContact O-CD2 3.4Å; A561-H696 WeakPolarHBondContact O-CB 3.45Å; A561-H696 PolarHBondContact O-ND1 3.09Å; G563-H696 VanDerWaalsContact CA-CB 3.49Å; T679-H696 VanDerWaalsContact CG2-CE1 3.44Å; T679-H696 WeakPolarHBondContact CG2-CE1 3.45Å; S694-H696 VanDerWaalsContact CB-CD2 3.47Å; S694-H696 WeakPolarHBondContact CB-CD2 3.43Å; S694-H696 WeakPolarHBondContact CB-NE2 3.06Å; S694-H696 PolarHBondContact O-N 3.46Å
697	Y	86.1	Confident	84.5	Confident	60 Å²	60	53.2 Å²	53.2	24%	0.235	29%	0.286	C	S	.	.			trans	-136.5	136.6	-179	172.7	-112	0	0	0	111.3	G307 T308 I567 L571 F695 T699	G307-Y697 WeakPolarHBondContact O-CA 3.38Å; T308-Y697 HydrophobicContact CG2-CD2 3.98Å; T308-Y697 HydrophobicContact CG2-CE2 4Å; I567-Y697 HydrophobicContact CG2-CE1 4.18Å; L571-Y697 HydrophobicContact CD1-CD2 4.28Å; L571-Y697 HydrophobicContact CD1-CE2 3.45Å; L571-Y697 VanDerWaalsContact CD1-CE2 3.45Å; F695-Y697 PolarHBondContact O-N 3.35Å; Y697-T699 HydrophobicContact CE1-CG2 3.61Å
698	I	85.9	Confident	85.2	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	30%	0.299	C	S	.	.			trans	-127.6	129.7	175.3	-58.1	-169.9	0	0	0	108.7	F293 F297 G307 F310 F695 G700	F293-I698 HydrophobicContact CE1-CD1 4.47Å; F293-I698 HydrophobicContact CE2-CD1 3.44Å; F293-I698 VanDerWaalsContact CE2-CD1 3.44Å; F293-I698 HydrophobicContact CZ-CD1 3.42Å; F293-I698 VanDerWaalsContact CZ-CD1 3.42Å; F293-I698 HydrophobicContact CZ-CG2 4.28Å; F297-I698 HydrophobicContact CD2-CB 4.21Å; F297-I698 HydrophobicContact CD2-CG2 4.11Å; F297-I698 HydrophobicContact CE2-CB 4.22Å; F297-I698 HydrophobicContact CE2-CG2 4.02Å; G307-I698 WeakPolarHBondContact CA-O 3.17Å; G307-I698 PolarHBondContact O-N 3.05Å; F310-I698 HydrophobicContact CB-CD1 4.5Å; F310-I698 HydrophobicContact CB-CG1 4.25Å; F310-I698 HydrophobicContact CD1-CD1 3.47Å; F310-I698 VanDerWaalsContact CD1-CD1 3.47Å; F310-I698 HydrophobicContact CD1-CG1 4.02Å; F310-I698 HydrophobicContact CD2-CD1 3.72Å; F310-I698 HydrophobicContact CD2-CG1 4.22Å; F310-I698 HydrophobicContact CE1-CD1 3.44Å; F310-I698 VanDerWaalsContact CE1-CD1 3.44Å; F310-I698 HydrophobicContact CE1-CG1 4.46Å; F310-I698 HydrophobicContact CE2-CD1 3.71Å; F310-I698 HydrophobicContact CG-CD1 3.61Å; F310-I698 HydrophobicContact CG-CG1 3.88Å; F310-I698 HydrophobicContact CZ-CD1 3.57Å; F695-I698 HydrophobicContact CD1-CG1 4.37Å; I698-G700 WeakPolarHBondContact CG2-O 3.46Å
699	T	81.5	Confident	85.7	Confident	105 Å²	105	52.8 Å²	52.8	64%	0.644	28%	0.28	S	S	*	.	S	Bend	trans	-72.6	-32.6	-175.9	46.7	0	0	0	0	113.3	Y697	Y697-T699 HydrophobicContact CE1-CG2 3.61Å
700	G	81.9	Confident	86.2	Confident	12 Å²	12	52.1 Å²	52.1	12%	0.124	28%	0.281	C	S	.	.			trans	-165.6	168.7	-178.3	0	0	0	0	0	113.1	I698 E702 S705	I698-G700 WeakPolarHBondContact CG2-O 3.46Å; G700-E702 PolarHBondContact O-N 3.22Å; G700-E702 VanDerWaalsContact O-N 3.09Å; G700-S705 PolarHBondContact O-OG 3.42Å
701	M	81.9	Confident	86.6	Confident	54 Å²	54	55.6 Å²	55.6	27%	0.266	30%	0.299	S	S	.	.	S	Bend	trans	-84.1	47.7	172.1	-62.4	-148	-72.1	0	0	111.2	Y283 T294 F297 M298	Y283-M701 PolarHBondContact OH-O 2.88Å; T294-M701 HydrophobicContact CG2-CE 3.77Å; T294-M701 HydrophobicContact CG2-SD 3.59Å; T294-M701 VanDerWaalsContact CG2-SD 3.59Å; F297-M701 HydrophobicContact CB-CG 4.06Å; F297-M701 HydrophobicContact CB-SD 3.85Å; F297-M701 HydrophobicContact CD1-CE 4.32Å; F297-M701 HydrophobicContact CD1-CG 3.17Å; F297-M701 HydrophobicContact CD1-SD 3.54Å; F297-M701 VanDerWaalsContact CD1-SD 3.54Å; F297-M701 HydrophobicContact CD2-CG 3.92Å; F297-M701 HydrophobicContact CE1-CG 3.46Å; F297-M701 VanDerWaalsContact CE1-CG 3.46Å; F297-M701 HydrophobicContact CE1-SD 4.31Å; F297-M701 HydrophobicContact CE2-CG 4.16Å; F297-M701 HydrophobicContact CG-CG 3.43Å; F297-M701 VanDerWaalsContact CG-CG 3.43Å; F297-M701 HydrophobicContact CG-SD 3.82Å; F297-M701 HydrophobicContact CZ-CG 3.96Å; M298-M701 HydrophobicContact CG-CE 3.93Å; M298-M701 HydrophobicContact CG-SD 4.27Å; M298-M701 HydrophobicContact SD-CE 3.69Å
702	E	84.9	Confident	87.1	Confident	120 Å²	120	54 Å²	54	56%	0.561	28%	0.275	S	S	*	.			trans	-87.2	154.1	178.1	-66.7	175.1	179.6	0	0	110	G700 D704 S705 M706	G700-E702 PolarHBondContact O-N 3.22Å; G700-E702 VanDerWaalsContact O-N 3.09Å; E702-D704 PolarHBondContact O-N 2.7Å; E702-S705 PolarHBondContact O-N 3.29Å; E702-S705 VanDerWaalsContact O-N 3.1Å; E702-M706 PolarHBondContact O-N 3.28Å
703	Q	88.1	Confident	87.7	Confident	92 Å²	92	53 Å²	53	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-56.1	-36.7	178.7	-178.3	174.8	-25.1	0	0	111.5	Y283 S705 M706 E707	Y283-Q703 HydrophobicContact CD2-CB 4.03Å; Y283-Q703 HydrophobicContact CD2-CG 4.34Å; Y283-Q703 HydrophobicContact CG-CB 4.08Å; Y283-Q703 HydrophobicContact CG-CG 4.31Å; Q703-S705 VanDerWaalsContact C-N 3.3Å; Q703-S705 PolarHBondContact O-N 3.11Å; Q703-M706 PolarHBondContact O-N 3.08Å; Q703-M706 VanDerWaalsContact O-N 3.14Å; Q703-E707 PolarHBondContact O-N 2.88Å
704	D	89.8	Confident	88.1	Confident	111 Å²	111	50.7 Å²	50.7	59%	0.594	27%	0.265	S	S	*	.	H	α-helix	trans	-58.5	-38.9	178.8	-61.4	0.9	0	0	0	112.4	E702 E707 E708	E702-D704 PolarHBondContact O-N 2.7Å; D704-E707 PolarHBondContact O-N 3.33Å; D704-E708 PolarHBondContact O-N 2.94Å
705	S	88.4	Confident	88.5	Confident	12 Å²	12	51.7 Å²	51.7	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-69.4	-37.1	178.1	-66.3	0	0	0	0	112.1	G700 E702 Q703 L709	G700-S705 PolarHBondContact O-OG 3.42Å; E702-S705 PolarHBondContact O-N 3.29Å; E702-S705 VanDerWaalsContact O-N 3.1Å; Q703-S705 VanDerWaalsContact C-N 3.3Å; Q703-S705 PolarHBondContact O-N 3.11Å; S705-L709 PolarHBondContact O-N 3.33Å
706	M	89.6	Confident	88.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-38	173.7	-70.6	-174.2	171.3	0	0	111.5	Y283 V284 Y287 F293 E702 Q703 N710	Y283-M706 HydrophobicContact CD2-SD 3.94Å; Y283-M706 HydrophobicContact CE2-CE 4.34Å; Y283-M706 HydrophobicContact CE2-SD 3.86Å; V284-M706 HydrophobicContact CB-CE 4.4Å; V284-M706 HydrophobicContact CG1-CE 4.07Å; V284-M706 HydrophobicContact CG2-CE 3.95Å; V284-M706 HydrophobicContact CG2-SD 4.39Å; Y287-M706 HydrophobicContact CD2-CB 3.86Å; Y287-M706 HydrophobicContact CD2-CG 4.5Å; Y287-M706 HydrophobicContact CD2-SD 3.91Å; Y287-M706 HydrophobicContact CE2-CB 3.67Å; Y287-M706 HydrophobicContact CE2-SD 4.35Å; F293-M706 HydrophobicContact CB-CE 4.3Å; F293-M706 HydrophobicContact CD1-CE 3.28Å; F293-M706 HydrophobicContact CD1-CG 4.01Å; F293-M706 HydrophobicContact CE1-CE 3.76Å; F293-M706 HydrophobicContact CE1-CG 3.84Å; F293-M706 HydrophobicContact CE2-CG 4.35Å; F293-M706 HydrophobicContact CG-CE 3.97Å; F293-M706 HydrophobicContact CG-CG 4.35Å; F293-M706 HydrophobicContact CZ-CG 4Å; E702-M706 PolarHBondContact O-N 3.28Å; Q703-M706 PolarHBondContact O-N 3.08Å; Q703-M706 VanDerWaalsContact O-N 3.14Å; M706-N710 VanDerWaalsContact O-CB 3.27Å; M706-N710 WeakPolarHBondContact O-CB 3.3Å; M706-N710 PolarHBondContact O-N 2.86Å
707	E	91.9	Very high	89.2	Confident	88 Å²	88	50.9 Å²	50.9	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-43.4	177.5	-169.1	170.9	169.3	0	0	111.9	Y287 Q703 D704 L709 N710 N711	Y287-E707 WeakPolarHBondContact OH-CB 3.43Å; Q703-E707 PolarHBondContact O-N 2.88Å; D704-E707 PolarHBondContact O-N 3.33Å; E707-L709 VanDerWaalsContact C-N 3.34Å; E707-L709 PolarHBondContact O-N 2.95Å; E707-N710 PolarHBondContact O-N 3.3Å; E707-N711 VanDerWaalsContact O-CG 3.26Å; E707-N711 PolarHBondContact O-N 3.49Å; E707-N711 PolarHBondContact O-ND2 3.06Å
708	E	91.6	Very high	89.5	Confident	85 Å²	85	54.5 Å²	54.5	40%	0.397	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-45.8	176.3	-156.2	-170.2	161.2	0	0	111	K693 F695 D704 N711 I712	K693-E708 IonicContact NZ-OE1 2.78Å; K693-E708 PolarHBondContact NZ-OE1 3.13Å; F695-E708 HydrophobicContact CE1-CB 4.17Å; F695-E708 HydrophobicContact CE1-CG 4.14Å; F695-E708 HydrophobicContact CZ-CB 4.07Å; F695-E708 HydrophobicContact CZ-CG 3.61Å; F695-E708 VanDerWaalsContact CZ-OE1 3.25Å; F695-E708 WeakPolarHBondContact CZ-OE1 3.28Å; D704-E708 PolarHBondContact O-N 2.94Å; E708-N711 PolarHBondContact O-N 2.81Å; E708-I712 PolarHBondContact O-N 3.47Å
709	L	91.3	Very high	89.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-43.1	175.3	-179.7	64.3	0	0	0	111.7	F289 F293 W314 Y675 S705 E707 N711 I712 L713	F289-L709 HydrophobicContact CD2-CD2 4.39Å; F289-L709 HydrophobicContact CE2-CD2 3.86Å; F289-L709 HydrophobicContact CE2-CG 4.5Å; F289-L709 HydrophobicContact CZ-CD2 4.32Å; F289-L709 HydrophobicContact CZ-CG 4.49Å; F293-L709 HydrophobicContact CD2-CD2 3.65Å; F293-L709 HydrophobicContact CE2-CD2 3.82Å; W314-L709 HydrophobicContact CH2-CD2 4.1Å; W314-L709 HydrophobicContact CZ3-CD2 3.75Å; Y675-L709 HydrophobicContact CE1-CD1 3.79Å; S705-L709 PolarHBondContact O-N 3.33Å; E707-L709 VanDerWaalsContact C-N 3.34Å; E707-L709 PolarHBondContact O-N 2.95Å; L709-N711 VanDerWaalsContact C-N 3.3Å; L709-N711 PolarHBondContact O-N 2.89Å; L709-I712 WeakPolarHBondContact O-CB 3.2Å; L709-I712 PolarHBondContact O-N 3.48Å; L709-I712 VanDerWaalsContact O-N 3.13Å; L709-L713 HydrophobicContact CD1-CG 4.35Å; L709-L713 HydrophobicContact CG-CD1 4.07Å; L709-L713 HydrophobicContact CG-CG 4.31Å; L709-L713 WeakPolarHBondContact O-CG 3.46Å; L709-L713 PolarHBondContact O-N 2.99Å
710	N	92.6	Very high	90.1	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.214	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-42.5	178.5	-174.8	66	0	0	0	111.5	Y287 F289 M706 E707 I712 L713 V714	Y287-N710 HydrophobicContact CD1-CB 3.95Å; Y287-N710 HydrophobicContact CE1-CB 3.7Å; F289-N710 HydrophobicContact CE1-CB 4.13Å; F289-N710 HydrophobicContact CZ-CB 4.07Å; M706-N710 VanDerWaalsContact O-CB 3.27Å; M706-N710 WeakPolarHBondContact O-CB 3.3Å; M706-N710 PolarHBondContact O-N 2.86Å; E707-N710 PolarHBondContact O-N 3.3Å; N710-I712 VanDerWaalsContact C-N 3.29Å; N710-I712 PolarHBondContact O-N 3.26Å; N710-L713 PolarHBondContact O-N 3.36Å; N710-V714 WeakPolarHBondContact O-CB 3.4Å; N710-V714 VanDerWaalsContact O-CG2 3.27Å; N710-V714 WeakPolarHBondContact O-CG2 3.25Å; N710-V714 PolarHBondContact O-N 3.26Å
711	N	93.1	Very high	90.5	Very high	93 Å²	93	56 Å²	56	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-60.7	-37.9	176.8	-71.2	-30.5	0	0	0	112.3	E707 E708 L709 S715	E707-N711 VanDerWaalsContact O-CG 3.26Å; E707-N711 PolarHBondContact O-N 3.49Å; E707-N711 PolarHBondContact O-ND2 3.06Å; E708-N711 PolarHBondContact O-N 2.81Å; L709-N711 VanDerWaalsContact C-N 3.3Å; L709-N711 PolarHBondContact O-N 2.89Å; N711-S715 WeakPolarHBondContact O-CB 3.4Å; N711-S715 PolarHBondContact O-N 2.72Å
712	I	91.8	Very high	90.8	Very high	28 Å²	28	57.3 Å²	57.3	14%	0.144	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-46.5	174.8	-69.2	171.5	0	0	0	111.1	Y675 K693 F695 E708 L709 N710 V714 S715 I716	Y675-I712 HydrophobicContact CE2-CG2 4.27Å; K693-I712 HydrophobicContact CB-CD1 4.4Å; F695-I712 HydrophobicContact CD2-CD1 3.76Å; F695-I712 HydrophobicContact CE2-CD1 3.04Å; F695-I712 HydrophobicContact CZ-CD1 3.74Å; E708-I712 PolarHBondContact O-N 3.47Å; L709-I712 WeakPolarHBondContact O-CB 3.2Å; L709-I712 PolarHBondContact O-N 3.48Å; L709-I712 VanDerWaalsContact O-N 3.13Å; N710-I712 VanDerWaalsContact C-N 3.29Å; N710-I712 PolarHBondContact O-N 3.26Å; I712-V714 VanDerWaalsContact C-N 3.3Å; I712-V714 PolarHBondContact O-N 2.97Å; I712-S715 WeakPolarHBondContact O-CB 3.41Å; I712-S715 PolarHBondContact O-N 3.4Å; I712-S715 VanDerWaalsContact O-N 3.13Å; I712-I716 HydrophobicContact CG2-CD1 3.72Å; I712-I716 HydrophobicContact CG2-CG1 4.31Å; I712-I716 WeakPolarHBondContact O-CG1 3.43Å; I712-I716 PolarHBondContact O-N 2.97Å
713	L	93	Very high	90.8	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-40.4	178	-67.1	174.2	0	0	0	111.4	F289 L668 T671 I672 Y675 L709 N710 I716 N717	F289-L713 HydrophobicContact CD1-CD1 3.88Å; F289-L713 HydrophobicContact CE1-CD1 3.75Å; F289-L713 HydrophobicContact CG-CD1 4.5Å; F289-L713 HydrophobicContact CZ-CD1 4.26Å; L668-L713 HydrophobicContact CD1-CB 4.28Å; L668-L713 HydrophobicContact CD1-CD1 4.3Å; T671-L713 HydrophobicContact CG2-CB 4.42Å; T671-L713 HydrophobicContact CG2-CD2 4.11Å; I672-L713 HydrophobicContact CD1-CD1 4.16Å; I672-L713 HydrophobicContact CG1-CD1 3.78Å; I672-L713 HydrophobicContact CG1-CD2 3.85Å; I672-L713 HydrophobicContact CG1-CG 4.49Å; Y675-L713 HydrophobicContact CD1-CD2 4.24Å; Y675-L713 HydrophobicContact CG-CD2 4.31Å; L709-L713 HydrophobicContact CD1-CG 4.35Å; L709-L713 HydrophobicContact CG-CD1 4.07Å; L709-L713 HydrophobicContact CG-CG 4.31Å; L709-L713 WeakPolarHBondContact O-CG 3.46Å; L709-L713 PolarHBondContact O-N 2.99Å; N710-L713 PolarHBondContact O-N 3.36Å; L713-I716 PolarHBondContact O-N 3.5Å; L713-N717 VanDerWaalsContact O-CB 3.26Å; L713-N717 WeakPolarHBondContact O-CB 3.23Å; L713-N717 PolarHBondContact O-N 3.11Å
714	V	93.1	Very high	90.4	Very high	82 Å²	82	52.4 Å²	52.4	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-62.7	-43	174.5	170.5	0	0	0	0	111.2	N710 I712 N717 K718	N710-V714 WeakPolarHBondContact O-CB 3.4Å; N710-V714 VanDerWaalsContact O-CG2 3.27Å; N710-V714 WeakPolarHBondContact O-CG2 3.25Å; N710-V714 PolarHBondContact O-N 3.26Å; I712-V714 VanDerWaalsContact C-N 3.3Å; I712-V714 PolarHBondContact O-N 2.97Å; V714-N717 PolarHBondContact O-N 3.01Å; V714-K718 WeakPolarHBondContact O-CB 3.41Å; V714-K718 PolarHBondContact O-N 2.91Å
715	S	92.8	Very high	89.9	Confident	58 Å²	58	51.7 Å²	51.7	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-47	176	-174.2	0	0	0	0	112	N711 I712 K718 Q719	N711-S715 WeakPolarHBondContact O-CB 3.4Å; N711-S715 PolarHBondContact O-N 2.72Å; I712-S715 WeakPolarHBondContact O-CB 3.41Å; I712-S715 PolarHBondContact O-N 3.4Å; I712-S715 VanDerWaalsContact O-N 3.13Å; S715-K718 WeakPolarHBondContact O-CB 3.22Å; S715-K718 PolarHBondContact O-N 3.04Å; S715-Q719 WeakPolarHBondContact O-CG 3.41Å; S715-Q719 PolarHBondContact O-N 2.96Å
716	I	91.7	Very high	89.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-46.4	177.1	-67.4	169.4	0	0	0	110.5	T671 Y675 L690 S692 I712 L713 K718 Q719 L720	T671-I716 HydrophobicContact CG2-CB 4.15Å; T671-I716 HydrophobicContact CG2-CG2 3.88Å; Y675-I716 HydrophobicContact CD2-CD1 3.5Å; Y675-I716 VanDerWaalsContact CD2-CD1 3.5Å; Y675-I716 HydrophobicContact CE2-CD1 4.28Å; Y675-I716 HydrophobicContact CG-CD1 4.06Å; L690-I716 HydrophobicContact CD1-CD1 4.41Å; L690-I716 HydrophobicContact CD1-CG1 4.49Å; L690-I716 HydrophobicContact CD1-CG2 3.8Å; L690-I716 HydrophobicContact CD2-CG2 4.39Å; S692-I716 VanDerWaalsContact OG-CG1 3.31Å; S692-I716 WeakPolarHBondContact OG-CG1 3.43Å; I712-I716 HydrophobicContact CG2-CD1 3.72Å; I712-I716 HydrophobicContact CG2-CG1 4.31Å; I712-I716 WeakPolarHBondContact O-CG1 3.43Å; I712-I716 PolarHBondContact O-N 2.97Å; L713-I716 PolarHBondContact O-N 3.5Å; I716-K718 VanDerWaalsContact C-N 3.26Å; I716-K718 PolarHBondContact O-N 2.75Å; I716-Q719 WeakPolarHBondContact O-CB 3.29Å; I716-Q719 PolarHBondContact O-N 3.37Å; I716-Q719 VanDerWaalsContact O-N 3.15Å; I716-L720 HydrophobicContact CG2-CD1 3.84Å; I716-L720 HydrophobicContact CG2-CG 4.22Å; I716-L720 WeakPolarHBondContact O-CG 3.1Å; I716-L720 PolarHBondContact O-N 2.89Å
717	N	92	Very high	88.4	Confident	21 Å²	21	55.7 Å²	55.7	11%	0.112	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-41.7	178.9	-170.8	-72.6	0	0	0	110.9	T671 L713 V714 L720 K721	T671-N717 HydrophobicContact CG2-CB 4.12Å; T671-N717 PolarHBondContact OG1-ND2 3.36Å; L713-N717 VanDerWaalsContact O-CB 3.26Å; L713-N717 WeakPolarHBondContact O-CB 3.23Å; L713-N717 PolarHBondContact O-N 3.11Å; V714-N717 PolarHBondContact O-N 3.01Å; N717-L720 PolarHBondContact O-N 3.11Å; N717-K721 WeakPolarHBondContact O-CB 3.31Å; N717-K721 WeakPolarHBondContact O-CG 3.44Å; N717-K721 PolarHBondContact O-N 2.98Å; N717-K721 WeakPolarHBondContact OD1-CD 2.98Å; N717-K721 WeakPolarHBondContact OD1-CE 3.48Å; N717-K721 PolarHBondContact OD1-NZ 3.44Å
718	K	92.3	Very high	86.8	Confident	136 Å²	136	57.2 Å²	57.2	59%	0.591	30%	0.3	S	S	*	.	H	α-helix	trans	-61	-49.1	173.7	-174.3	-178	176.8	-176	0	111.7	V714 S715 I716 L720 K721 D722	V714-K718 WeakPolarHBondContact O-CB 3.41Å; V714-K718 PolarHBondContact O-N 2.91Å; S715-K718 WeakPolarHBondContact O-CB 3.22Å; S715-K718 PolarHBondContact O-N 3.04Å; I716-K718 VanDerWaalsContact C-N 3.26Å; I716-K718 PolarHBondContact O-N 2.75Å; K718-L720 VanDerWaalsContact C-N 3.31Å; K718-L720 PolarHBondContact O-N 2.79Å; K718-K721 PolarHBondContact O-N 3.4Å; K718-D722 VanDerWaalsContact O-CG 3.27Å; K718-D722 PolarHBondContact O-N 3.44Å
719	Q	90.5	Very high	85.2	Confident	75 Å²	75	60 Å²	60	35%	0.35	32%	0.317	S	S	.	.	H	α-helix	trans	-57.1	-43.3	176.6	-71.7	176.9	-7.9	0	0	112.2	S715 I716 D722 L723	S715-Q719 WeakPolarHBondContact O-CG 3.41Å; S715-Q719 PolarHBondContact O-N 2.96Å; I716-Q719 WeakPolarHBondContact O-CB 3.29Å; I716-Q719 PolarHBondContact O-N 3.37Å; I716-Q719 VanDerWaalsContact O-N 3.15Å; Q719-D722 PolarHBondContact O-N 3.46Å; Q719-L723 WeakPolarHBondContact O-CG 3.36Å; Q719-L723 PolarHBondContact O-N 3.31Å
720	L	89.8	Confident	83.5	Confident	1 Å²	1	66 Å²	66	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-37.9	177.9	-68.4	171.5	0	0	0	112.3	L622 Y626 I674 L690 I716 N717 K718 L723 I724	L622-L720 HydrophobicContact CD2-CB 3.6Å; L622-L720 HydrophobicContact CD2-CD1 4.38Å; Y626-L720 HydrophobicContact CD2-CD2 4.25Å; I674-L720 HydrophobicContact CD1-CD1 3.59Å; I674-L720 HydrophobicContact CD1-CD2 4.41Å; I674-L720 HydrophobicContact CG2-CD1 4.25Å; L690-L720 HydrophobicContact CD2-CD2 4.26Å; I716-L720 HydrophobicContact CG2-CD1 3.84Å; I716-L720 HydrophobicContact CG2-CG 4.22Å; I716-L720 WeakPolarHBondContact O-CG 3.1Å; I716-L720 PolarHBondContact O-N 2.89Å; N717-L720 PolarHBondContact O-N 3.11Å; K718-L720 VanDerWaalsContact C-N 3.31Å; K718-L720 PolarHBondContact O-N 2.79Å; L720-L723 WeakPolarHBondContact O-CB 3.35Å; L720-L723 PolarHBondContact O-N 3.17Å; L720-I724 WeakPolarHBondContact O-CG1 3.21Å; L720-I724 PolarHBondContact O-N 3.38Å
721	K	89.9	Confident	81.1	Confident	80 Å²	80	73.3 Å²	73.3	35%	0.348	38%	0.38	S	S	.	.	H	α-helix	trans	-67.1	-40.1	174.4	-76.6	178.7	175.7	167.1	0	112.4	L622 E667 N717 K718 L723 I724 N725	L622-K721 HydrophobicContact CD2-CG 4.29Å; E667-K721 WeakPolarHBondContact OE2-CE 3.34Å; E667-K721 IonicContact OE2-NZ 2.73Å; E667-K721 PolarHBondContact OE2-NZ 3.45Å; N717-K721 WeakPolarHBondContact O-CB 3.31Å; N717-K721 WeakPolarHBondContact O-CG 3.44Å; N717-K721 PolarHBondContact O-N 2.98Å; N717-K721 WeakPolarHBondContact OD1-CD 2.98Å; N717-K721 WeakPolarHBondContact OD1-CE 3.48Å; N717-K721 PolarHBondContact OD1-NZ 3.44Å; K718-K721 PolarHBondContact O-N 3.4Å; K721-L723 VanDerWaalsContact C-N 3.28Å; K721-L723 PolarHBondContact O-N 3.44Å; K721-I724 WeakPolarHBondContact O-CB 3.38Å; K721-I724 PolarHBondContact O-N 3.35Å; K721-I724 VanDerWaalsContact O-N 3.14Å; K721-N725 PolarHBondContact O-N 3.21Å; K721-N725 VanDerWaalsContact O-N 3.1Å; K721-N725 PolarHBondContact O-ND2 2.9Å
722	D	88.8	Confident	80.5	Confident	81 Å²	81	72.3 Å²	72.3	43%	0.433	37%	0.374	S	S	.	.	H	α-helix	trans	-62.2	-39.4	174.4	-66.6	-21.6	0	0	0	110.5	K718 Q719 N725 V726	K718-D722 VanDerWaalsContact O-CG 3.27Å; K718-D722 PolarHBondContact O-N 3.44Å; Q719-D722 PolarHBondContact O-N 3.46Å; D722-N725 PolarHBondContact O-N 2.92Å; D722-V726 WeakPolarHBondContact O-CG2 3.3Å; D722-V726 PolarHBondContact O-N 2.84Å; D722-V726 VanDerWaalsContact O-N 3.13Å
723	L	83.9	Confident	79.9	Confident	75 Å²	75	74.6 Å²	74.6	39%	0.393	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-35.7	172.6	-72.5	172.2	0	0	0	113.4	V625 Q719 L720 K721 N725 V726 A727	V625-L723 HydrophobicContact CG1-CB 3.76Å; Q719-L723 WeakPolarHBondContact O-CG 3.36Å; Q719-L723 PolarHBondContact O-N 3.31Å; L720-L723 WeakPolarHBondContact O-CB 3.35Å; L720-L723 PolarHBondContact O-N 3.17Å; K721-L723 VanDerWaalsContact C-N 3.28Å; K721-L723 PolarHBondContact O-N 3.44Å; L723-N725 VanDerWaalsContact C-N 3.33Å; L723-V726 PolarHBondContact O-N 3.02Å; L723-A727 VanDerWaalsContact O-CB 3.32Å; L723-A727 WeakPolarHBondContact O-CB 3.31Å; L723-A727 PolarHBondContact O-N 3.23Å
724	I	81.2	Confident	79.2	Confident	34 Å²	34	78.7 Å²	78.7	17%	0.174	41%	0.408	C	S	.	.	H	α-helix	trans	-60.5	-45.9	173.8	-71.5	162.6	0	0	0	109.9	L622 V625 L720 K721 V726 A727 M728	L622-I724 HydrophobicContact CD2-CD1 3.54Å; L622-I724 HydrophobicContact CG-CD1 4.12Å; V625-I724 HydrophobicContact CB-CG1 3.91Å; V625-I724 HydrophobicContact CG1-CG1 4.05Å; V625-I724 HydrophobicContact CG2-CB 4.4Å; V625-I724 HydrophobicContact CG2-CG1 3.55Å; L720-I724 WeakPolarHBondContact O-CG1 3.21Å; L720-I724 PolarHBondContact O-N 3.38Å; K721-I724 WeakPolarHBondContact O-CB 3.38Å; K721-I724 PolarHBondContact O-N 3.35Å; K721-I724 VanDerWaalsContact O-N 3.14Å; I724-V726 PolarHBondContact O-N 3.36Å; I724-A727 PolarHBondContact O-N 3.37Å; I724-M728 HydrophobicContact CG2-CG 4.25Å; I724-M728 WeakPolarHBondContact O-CB 3.2Å; I724-M728 WeakPolarHBondContact O-CG 3.26Å; I724-M728 PolarHBondContact O-N 3.08Å
725	N	78.6	Confident	78.4	Confident	95 Å²	95	78.5 Å²	78.5	51%	0.508	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-44.4	-179.4	-64.7	-29.5	0	0	0	111.3	K721 D722 L723 M728 D729	K721-N725 PolarHBondContact O-N 3.21Å; K721-N725 VanDerWaalsContact O-N 3.1Å; K721-N725 PolarHBondContact O-ND2 2.9Å; D722-N725 PolarHBondContact O-N 2.92Å; L723-N725 VanDerWaalsContact C-N 3.33Å; N725-M728 PolarHBondContact O-N 3.3Å; N725-D729 PolarHBondContact O-N 3.2Å; N725-D729 VanDerWaalsContact O-N 3.13Å
726	V	77.6	Confident	77.5	Confident	79 Å²	79	79.8 Å²	79.8	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-41.5	176.7	176.3	0	0	0	0	111.9	D722 L723 I724 M728 D729 E730	D722-V726 WeakPolarHBondContact O-CG2 3.3Å; D722-V726 PolarHBondContact O-N 2.84Å; D722-V726 VanDerWaalsContact O-N 3.13Å; L723-V726 PolarHBondContact O-N 3.02Å; I724-V726 PolarHBondContact O-N 3.36Å; V726-M728 VanDerWaalsContact C-N 3.3Å; V726-M728 PolarHBondContact O-N 3.16Å; V726-D729 PolarHBondContact O-N 3.33Å; V726-E730 PolarHBondContact O-N 3.24Å
727	A	68.3	Low	76.5	Confident	18 Å²	18	85.1 Å²	85.1	15%	0.149	43%	0.429	C	S	.	.	H	α-helix	trans	-68.2	-30.6	179.8	0	0	0	0	0	112.8	L723 I724	L723-A727 VanDerWaalsContact O-CB 3.32Å; L723-A727 WeakPolarHBondContact O-CB 3.31Å; L723-A727 PolarHBondContact O-N 3.23Å; I724-A727 PolarHBondContact O-N 3.37Å
728	M	59.4	Low	75.4	Confident	120 Å²	120	89.7 Å²	89.7	59%	0.591	45%	0.452	S	S	*	.	H	α-helix	trans	-73.7	-30.2	174.4	-69.6	-83.5	-69.4	0	0	112.3	I724 N725 V726 E730 M731	I724-M728 HydrophobicContact CG2-CG 4.25Å; I724-M728 WeakPolarHBondContact O-CB 3.2Å; I724-M728 WeakPolarHBondContact O-CG 3.26Å; I724-M728 PolarHBondContact O-N 3.08Å; N725-M728 PolarHBondContact O-N 3.3Å; V726-M728 VanDerWaalsContact C-N 3.3Å; V726-M728 PolarHBondContact O-N 3.16Å; M728-E730 VanDerWaalsContact C-N 3.33Å; M728-M731 HydrophobicContact SD-CE 3.95Å
729	D	57.9	Low	74.1	Confident	143 Å²	143	86.2 Å²	86.2	77%	0.765	44%	0.441	S	S	*	.	H	α-helix	trans	-75.7	-20.5	174.3	-73	-20.9	0	0	0	112.9	N725 V726	N725-D729 PolarHBondContact O-N 3.2Å; N725-D729 VanDerWaalsContact O-N 3.13Å; V726-D729 PolarHBondContact O-N 3.33Å
730	E	55.4	Low	72.8	Confident	127 Å²	127	87.1 Å²	87.1	59%	0.593	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.4	176.7	-72.7	-175.5	167	0	0	114.3	R632 V726 M728	R632-E730 IonicContact CZ-OE2 3.99Å; R632-E730 IonicContact NH1-OE2 3.26Å; R632-E730 PolarHBondContact NH1-OE2 2.94Å; R632-E730 IonicContact NH2-OE2 2.76Å; V726-E730 PolarHBondContact O-N 3.24Å; M728-E730 VanDerWaalsContact C-N 3.33Å
731	M	42.7	Very low	71.2	Confident	192 Å²	192	94.9 Å²	94.9	95%	0.946	49%	0.489	S	S	*	.			trans	-103	0	175.5	-75.7	-170.4	-67.2	0	0	111.2	M728	M728-M731 HydrophobicContact SD-CE 3.95Å

Retrieved 731 of 731 residues in 1502.5 ms (Link to these results)

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