A0A077ZF30_TRITR Loading...

Nucleosome-remodeling factor subunit NURF301-like protein

AlphaFold DB , UniProt , Accession A0A077ZF30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59	Low	72.5	Confident	186 Å²	186	70.8 Å²	70.8	92%	0.916	35%	0.352	S	S	*	.				0	-63.6	0	-160.3	179.8	-76.4	0	0	112.6	R3 Q4 S5	M1-R3 PolarHBondContact O-N 3.43Å; M1-Q4 PolarHBondContact O-N 3.28Å; M1-S5 PolarHBondContact O-N 3.13Å; M1-S5 PolarHBondContact O-OG 3.25Å
2	L	68.3	Low	72.7	Confident	39 Å²	39	78.2 Å²	78.2	20%	0.204	37%	0.373	C	S	.	.	H	α-helix	trans	-52.5	-52.1	179.6	176.7	101.3	0	0	0	113.1	Q4 S5 L6 L43 A319	L2-Q4 VanDerWaalsContact C-N 3.32Å; L2-Q4 PolarHBondContact O-N 3.08Å; L2-S5 WeakPolarHBondContact O-CB 3.49Å; L2-S5 PolarHBondContact O-N 2.86Å; L2-S5 VanDerWaalsContact O-N 3.1Å; L2-L6 HydrophobicContact CD1-CD1 4.27Å; L2-L6 HydrophobicContact CD2-CD1 3.79Å; L2-L6 HydrophobicContact CG-CD1 3.78Å; L2-L6 HydrophobicContact CG-CG 4.31Å; L2-L6 WeakPolarHBondContact O-CG 3.46Å; L2-L6 PolarHBondContact O-N 2.96Å; L2-L43 HydrophobicContact CD2-CD1 4.08Å; L2-L43 HydrophobicContact CD2-CD2 3.51Å; L2-L43 HydrophobicContact CD2-CG 4.42Å; L2-A319 HydrophobicContact CB-CB 4.35Å; L2-A319 HydrophobicContact CD1-CB 3.2Å; L2-A319 HydrophobicContact CG-CB 4.33Å
3	R	74.1	Confident	72.7	Confident	104 Å²	104	72.8 Å²	72.8	39%	0.392	35%	0.347	S	S	.	.	H	α-helix	trans	-56.3	-45.4	-177.4	-66.6	-173.8	-175.4	176.9	-3.4	112.2	M1 L6 H7 L34 D35 A37	M1-R3 PolarHBondContact O-N 3.43Å; R3-L6 PolarHBondContact O-N 3.42Å; R3-H7 WeakPolarHBondContact O-CB 3.4Å; R3-H7 PolarHBondContact O-N 3.26Å; R3-L34 PolarHBondContact NE-O 3.46Å; R3-D35 PolarHBondContact NH1-O 2.92Å; R3-A37 PolarHBondContact NH2-O 3.44Å
4	Q	73.5	Confident	72.6	Confident	137 Å²	137	70.5 Å²	70.5	64%	0.64	34%	0.341	S	S	*	.	H	α-helix	trans	-62.7	-44	175.5	-72.1	166.9	-23.4	0	0	111.9	M1 L2 L6 H7 D8	M1-Q4 PolarHBondContact O-N 3.28Å; L2-Q4 VanDerWaalsContact C-N 3.32Å; L2-Q4 PolarHBondContact O-N 3.08Å; Q4-L6 VanDerWaalsContact C-N 3.28Å; Q4-L6 PolarHBondContact O-N 3.34Å; Q4-H7 WeakPolarHBondContact O-CB 3.39Å; Q4-H7 PolarHBondContact O-N 3.28Å; Q4-D8 WeakPolarHBondContact O-CB 3.48Å; Q4-D8 VanDerWaalsContact O-CG 3.31Å; Q4-D8 PolarHBondContact O-N 2.86Å
5	S	72.8	Confident	72.6	Confident	64 Å²	64	74.9 Å²	74.9	45%	0.448	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-35.6	176.4	-56.9	0	0	0	0	112.9	M1 L2 L9	M1-S5 PolarHBondContact O-N 3.13Å; M1-S5 PolarHBondContact O-OG 3.25Å; L2-S5 WeakPolarHBondContact O-CB 3.49Å; L2-S5 PolarHBondContact O-N 2.86Å; L2-S5 VanDerWaalsContact O-N 3.1Å; S5-L9 VanDerWaalsContact O-CB 3.25Å; S5-L9 WeakPolarHBondContact O-CB 3.32Å; S5-L9 PolarHBondContact O-N 3.23Å
6	L	75.1	Confident	72.3	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-71.7	-37.9	175.1	-76.7	174.8	0	0	0	111.9	L2 R3 Q4 L9 C10 W30 L34 L43 L47 L326	L2-L6 HydrophobicContact CD1-CD1 4.27Å; L2-L6 HydrophobicContact CD2-CD1 3.79Å; L2-L6 HydrophobicContact CG-CD1 3.78Å; L2-L6 HydrophobicContact CG-CG 4.31Å; L2-L6 WeakPolarHBondContact O-CG 3.46Å; L2-L6 PolarHBondContact O-N 2.96Å; R3-L6 PolarHBondContact O-N 3.42Å; Q4-L6 VanDerWaalsContact C-N 3.28Å; Q4-L6 PolarHBondContact O-N 3.34Å; L6-L9 HydrophobicContact CD2-CD2 4.46Å; L6-L9 WeakPolarHBondContact O-CB 3.32Å; L6-L9 PolarHBondContact O-N 3.06Å; L6-C10 PolarHBondContact O-N 2.9Å; L6-C10 VanDerWaalsContact O-N 3.16Å; L6-C10 PolarHBondContact O-SG 3.47Å; L6-C10 VanDerWaalsContact O-SG 3.33Å; L6-W30 HydrophobicContact CB-CH2 3.97Å; L6-L34 HydrophobicContact CB-CD1 4.44Å; L6-L34 HydrophobicContact CB-CD2 3.71Å; L6-L34 HydrophobicContact CD1-CD1 3.65Å; L6-L34 HydrophobicContact CD1-CD2 4.46Å; L6-L43 HydrophobicContact CD1-CD1 4.36Å; L6-L47 HydrophobicContact CD1-CD2 3.98Å; L6-L47 HydrophobicContact CD2-CD2 3.74Å; L6-L326 HydrophobicContact CD2-CD1 3.72Å
7	H	77.9	Confident	72.2	Confident	71 Å²	71	68 Å²	68	33%	0.329	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-51.1	173.5	-167.5	-76.6	0	0	0	111.4	R3 Q4 L9 C10 L11	R3-H7 WeakPolarHBondContact O-CB 3.4Å; R3-H7 PolarHBondContact O-N 3.26Å; Q4-H7 WeakPolarHBondContact O-CB 3.39Å; Q4-H7 PolarHBondContact O-N 3.28Å; H7-L9 PolarHBondContact O-N 3.12Å; H7-C10 PolarHBondContact O-N 2.93Å; H7-C10 VanDerWaalsContact O-N 3.17Å; H7-L11 PolarHBondContact O-N 3.01Å
8	D	75.1	Confident	72.3	Confident	74 Å²	74	64.2 Å²	64.2	40%	0.396	31%	0.311	S	S	.	.	H	α-helix	trans	-59.6	-36.5	178.1	-72.1	-15.6	0	0	0	112.2	Q4 R12	Q4-D8 WeakPolarHBondContact O-CB 3.48Å; Q4-D8 VanDerWaalsContact O-CG 3.31Å; Q4-D8 PolarHBondContact O-N 2.86Å; D8-R12 VanDerWaalsContact O-CG 3.31Å; D8-R12 WeakPolarHBondContact O-CG 3.49Å; D8-R12 PolarHBondContact O-NE 3.45Å
9	L	72.7	Confident	72.3	Confident	9 Å²	9	60.9 Å²	60.9	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-51	176.1	173.2	81.9	0	0	0	111	S5 L6 H7 L11 R12 F13 F50 L326	S5-L9 VanDerWaalsContact O-CB 3.25Å; S5-L9 WeakPolarHBondContact O-CB 3.32Å; S5-L9 PolarHBondContact O-N 3.23Å; L6-L9 HydrophobicContact CD2-CD2 4.46Å; L6-L9 WeakPolarHBondContact O-CB 3.32Å; L6-L9 PolarHBondContact O-N 3.06Å; H7-L9 PolarHBondContact O-N 3.12Å; L9-L11 PolarHBondContact O-N 3.42Å; L9-L11 VanDerWaalsContact O-N 3.16Å; L9-R12 PolarHBondContact O-N 3.44Å; L9-F13 HydrophobicContact CD1-CE2 3.72Å; L9-F13 HydrophobicContact CD1-CZ 4.45Å; L9-F13 HydrophobicContact CD2-CE2 3.97Å; L9-F13 HydrophobicContact CG-CD2 4.23Å; L9-F13 HydrophobicContact CG-CE2 3.63Å; L9-F13 WeakPolarHBondContact O-CD2 3.31Å; L9-F50 HydrophobicContact CD2-CE1 3.69Å; L9-F50 HydrophobicContact CD2-CZ 3.62Å; L9-L326 HydrophobicContact CD1-CB 3.92Å; L9-L326 HydrophobicContact CD1-CD1 4.44Å; L9-L326 HydrophobicContact CD1-CD2 3.68Å; L9-L326 HydrophobicContact CD1-CG 4.15Å; L9-L326 HydrophobicContact CD2-CD1 3.67Å; L9-L326 HydrophobicContact CD2-CD2 3.09Å; L9-L326 HydrophobicContact CD2-CG 3.84Å; L9-L326 HydrophobicContact CG-CD1 4.4Å; L9-L326 HydrophobicContact CG-CD2 3.91Å; L9-L326 HydrophobicContact CG-CG 4.49Å
10	C	75.3	Confident	72	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-58.7	-30.4	-176.5	-72.5	0	0	0	0	112.8	L6 H7 R12 W22 W30	L6-C10 PolarHBondContact O-N 2.9Å; L6-C10 VanDerWaalsContact O-N 3.16Å; L6-C10 PolarHBondContact O-SG 3.47Å; L6-C10 VanDerWaalsContact O-SG 3.33Å; H7-C10 PolarHBondContact O-N 2.93Å; H7-C10 VanDerWaalsContact O-N 3.17Å; C10-R12 VanDerWaalsContact C-N 3.3Å; C10-R12 PolarHBondContact O-N 3.47Å; C10-W22 HydrophobicContact CB-CZ2 4.12Å; C10-W30 HydrophobicContact CB-CZ3 4.33Å; C10-W30 WeakPolarHBondContact SG-CH2 3.28Å; C10-W30 WeakPolarHBondContact SG-CZ3 3.07Å
11	L	74.3	Confident	72	Confident	93 Å²	93	58.9 Å²	58.9	49%	0.487	29%	0.289	S	S	.	.	H	α-helix	trans	-71.6	-22	176.3	-63.4	178.8	0	0	0	113.7	H7 L9	H7-L11 PolarHBondContact O-N 3.01Å; L9-L11 PolarHBondContact O-N 3.42Å; L9-L11 VanDerWaalsContact O-N 3.16Å
12	R	74	Confident	72.9	Confident	159 Å²	159	50 Å²	50	60%	0.6	25%	0.245	S	C	*	.	H	α-helix	trans	-89.8	-10	-176.4	-61.4	170.1	-162.8	-165.6	2.3	113.9	D8 L9 C10 P14 L331	D8-R12 VanDerWaalsContact O-CG 3.31Å; D8-R12 WeakPolarHBondContact O-CG 3.49Å; D8-R12 PolarHBondContact O-NE 3.45Å; L9-R12 PolarHBondContact O-N 3.44Å; C10-R12 VanDerWaalsContact C-N 3.3Å; C10-R12 PolarHBondContact O-N 3.47Å; R12-P14 WeakPolarHBondContact O-CD 3.42Å; R12-L331 HydrophobicContact CB-CD1 3.63Å; R12-L331 HydrophobicContact CB-CD2 4.48Å; R12-L331 HydrophobicContact CG-CD1 4.49Å
13	F	72.7	Confident	73.2	Confident	9 Å²	9	51.2 Å²	51.2	4%	0.039	25%	0.247	C	C	.	.			trans	-75.3	122.3	-177.6	-88	-82.8	0	0	0	111.6	L9 L17 M18 W23 F50 V54 M329 L331	L9-F13 HydrophobicContact CD1-CE2 3.72Å; L9-F13 HydrophobicContact CD1-CZ 4.45Å; L9-F13 HydrophobicContact CD2-CE2 3.97Å; L9-F13 HydrophobicContact CG-CD2 4.23Å; L9-F13 HydrophobicContact CG-CE2 3.63Å; L9-F13 WeakPolarHBondContact O-CD2 3.31Å; F13-L17 HydrophobicContact CD1-CB 4.46Å; F13-M18 HydrophobicContact CB-CG 3.79Å; F13-M18 HydrophobicContact CB-SD 4.08Å; F13-M18 HydrophobicContact CD1-CG 4.19Å; F13-M18 HydrophobicContact CD1-SD 3.62Å; F13-M18 HydrophobicContact CD2-SD 4.46Å; F13-M18 HydrophobicContact CE1-SD 4.15Å; F13-M18 HydrophobicContact CG-CG 4.18Å; F13-M18 HydrophobicContact CG-SD 3.79Å; F13-W23 HydrophobicContact CB-CZ2 4.42Å; F13-W23 VanDerWaalsContact O-CZ2 3.31Å; F13-W23 WeakPolarHBondContact O-CZ2 3.46Å; F13-F50 HydrophobicContact CD2-CZ 4.15Å; F13-F50 HydrophobicContact CE2-CE1 4.33Å; F13-F50 AromaticContact CE2-CZ 3.59Å; F13-F50 HydrophobicContact CE2-CZ 3.59Å; F13-F50 HydrophobicContact CZ-CZ 4.14Å; F13-V54 HydrophobicContact CE1-CG1 4.33Å; F13-V54 HydrophobicContact CE1-CG2 4.36Å; F13-V54 HydrophobicContact CZ-CG2 4.25Å; F13-M329 HydrophobicContact CZ-SD 3.74Å; F13-L331 HydrophobicContact CD1-CD2 3.62Å; F13-L331 HydrophobicContact CD2-CD2 3.93Å; F13-L331 HydrophobicContact CE1-CD2 3.62Å; F13-L331 HydrophobicContact CE2-CD2 3.92Å; F13-L331 HydrophobicContact CG-CD2 3.78Å; F13-L331 HydrophobicContact CZ-CD2 3.78Å
14	P	71.9	Confident	73.1	Confident	40 Å²	40	56.1 Å²	56.1	26%	0.26	27%	0.265	S	S	.	.			trans	-61.9	147.9	167.4	-18.1	30.3	0	0	0	111.2	R12 T16 L17 L331	R12-P14 WeakPolarHBondContact O-CD 3.42Å; P14-T16 PolarHBondContact O-N 3.14Å; P14-L17 HydrophobicContact CB-CB 4.49Å; P14-L17 HydrophobicContact CB-CD1 4.45Å; P14-L17 HydrophobicContact CB-CG 4.18Å; P14-L17 HydrophobicContact CG-CD1 3.87Å; P14-L17 HydrophobicContact CG-CG 4.15Å; P14-L17 WeakPolarHBondContact O-CB 3.44Å; P14-L17 PolarHBondContact O-N 3.41Å; P14-L331 VanDerWaalsContact CG-O 3.32Å; P14-L331 WeakPolarHBondContact CG-O 3.39Å
15	E	71.8	Confident	73.2	Confident	137 Å²	137	55.3 Å²	55.3	64%	0.64	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.4	-34	-178.5	-58	-170.6	161.8	0	0	113.3	L17 M18 W23	E15-L17 PolarHBondContact O-N 3.46Å; E15-L17 VanDerWaalsContact O-N 3.15Å; E15-M18 PolarHBondContact O-N 3.03Å; E15-W23 VanDerWaalsContact CA-NE1 3.35Å; E15-W23 HydrophobicContact CG-CD2 4.49Å; E15-W23 HydrophobicContact CG-CG 4.45Å; E15-W23 HydrophobicContact CG-CZ2 4.47Å
16	T	68.2	Low	73.4	Confident	32 Å²	32	53.6 Å²	53.6	20%	0.196	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-61.7	-21.6	177.1	54.3	0	0	0	0	113.5	P14 R55 T333	P14-T16 PolarHBondContact O-N 3.14Å; T16-R55 VanDerWaalsContact O-CD 3.25Å; T16-R55 WeakPolarHBondContact O-CD 3.3Å; T16-R55 PolarHBondContact O-NE 3.44Å; T16-T333 VanDerWaalsContact OG1-CG2 3.28Å; T16-T333 WeakPolarHBondContact OG1-CG2 3.28Å
17	L	71.2	Confident	73.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-98.1	-5.8	-175.7	-65.8	-163.9	0	0	0	113.1	F13 P14 E15 R55 T58 T333 I348	F13-L17 HydrophobicContact CD1-CB 4.46Å; P14-L17 HydrophobicContact CB-CB 4.49Å; P14-L17 HydrophobicContact CB-CD1 4.45Å; P14-L17 HydrophobicContact CB-CG 4.18Å; P14-L17 HydrophobicContact CG-CD1 3.87Å; P14-L17 HydrophobicContact CG-CG 4.15Å; P14-L17 WeakPolarHBondContact O-CB 3.44Å; P14-L17 PolarHBondContact O-N 3.41Å; E15-L17 PolarHBondContact O-N 3.46Å; E15-L17 VanDerWaalsContact O-N 3.15Å; L17-R55 VanDerWaalsContact C-CD 3.46Å; L17-R55 WeakPolarHBondContact O-CB 3.46Å; L17-R55 WeakPolarHBondContact O-CD 3.47Å; L17-R55 PolarHBondContact O-N 2.91Å; L17-T58 HydrophobicContact CB-CG2 3.49Å; L17-T58 VanDerWaalsContact CB-CG2 3.49Å; L17-T58 HydrophobicContact CD1-CG2 4.02Å; L17-T58 HydrophobicContact CD2-CG2 3.92Å; L17-T58 HydrophobicContact CG-CG2 3.97Å; L17-T58 WeakPolarHBondContact O-CG2 3.17Å; L17-T333 HydrophobicContact CD2-CG2 4.28Å; L17-T333 HydrophobicContact CG-CG2 4.39Å; L17-I348 HydrophobicContact CD2-CD1 4.12Å
18	M	74.4	Confident	74	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-114	156.5	177.1	-61.7	-62	-88.5	0	0	112.2	F13 E15 W22 W23 F50 V54 R55	F13-M18 HydrophobicContact CB-CG 3.79Å; F13-M18 HydrophobicContact CB-SD 4.08Å; F13-M18 HydrophobicContact CD1-CG 4.19Å; F13-M18 HydrophobicContact CD1-SD 3.62Å; F13-M18 HydrophobicContact CD2-SD 4.46Å; F13-M18 HydrophobicContact CE1-SD 4.15Å; F13-M18 HydrophobicContact CG-CG 4.18Å; F13-M18 HydrophobicContact CG-SD 3.79Å; E15-M18 PolarHBondContact O-N 3.03Å; M18-W22 HydrophobicContact CB-CB 3.99Å; M18-W22 HydrophobicContact CB-CG 4.03Å; M18-W22 HydrophobicContact CE-CB 4.48Å; M18-W22 HydrophobicContact CE-CD2 3.5Å; M18-W22 VanDerWaalsContact CE-CE2 3.4Å; M18-W22 HydrophobicContact CE-CE3 4.18Å; M18-W22 HydrophobicContact CE-CG 3.62Å; M18-W22 HydrophobicContact CE-CZ2 4Å; M18-W22 HydrophobicContact CG-CG 4.32Å; M18-W23 HydrophobicContact CG-CZ2 4.21Å; M18-F50 HydrophobicContact CE-CD2 4.33Å; M18-F50 HydrophobicContact CE-CE2 3.66Å; M18-F50 HydrophobicContact CE-CZ 4.25Å; M18-V54 HydrophobicContact CE-CG2 4.03Å; M18-V54 HydrophobicContact SD-CB 4.46Å; M18-V54 HydrophobicContact SD-CG2 3.79Å; M18-R55 PolarHBondContact O-NE 2.81Å; M18-R55 PolarHBondContact O-NH2 2.85Å
19	H	70.6	Confident	74.4	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.009	27%	0.274	C	S	.	.			trans	-59.7	144.6	171.5	-171.8	-98.1	0	0	0	111.5	L21 W22 L53 G358 I409	H19-L21 VanDerWaalsContact CE1-CD1 3.49Å; H19-L21 WeakPolarHBondContact CE1-CD1 3.37Å; H19-L21 VanDerWaalsContact CE1-CG 3.41Å; H19-L21 WeakPolarHBondContact CE1-CG 3.45Å; H19-L21 WeakPolarHBondContact ND1-CB 3.41Å; H19-L21 PolarHBondContact ND1-N 3.34Å; H19-L21 VanDerWaalsContact ND1-N 3.16Å; H19-L21 PolarHBondContact O-N 3.45Å; H19-W22 WeakPolarHBondContact O-CB 3.48Å; H19-W22 PolarHBondContact O-N 3.27Å; H19-L53 HydrophobicContact CB-CB 4.37Å; H19-L53 HydrophobicContact CB-CD2 3.89Å; H19-L53 WeakPolarHBondContact CB-O 3.13Å; H19-L53 PolarHBondContact N-O 3.45Å; H19-G358 PolarHBondContact NE2-O 2.82Å; H19-I409 HydrophobicContact CB-CD1 4.44Å; H19-I409 VanDerWaalsContact CD2-CD1 3.45Å; H19-I409 WeakPolarHBondContact CD2-CD1 3.24Å
20	P	67.2	Low	74.8	Confident	26 Å²	26	57.4 Å²	57.4	17%	0.169	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-32.2	-177.4	-23.6	35.1	0	0	0	113.8	W22 D353	P20-W22 PolarHBondContact O-N 2.8Å; P20-D353 VanDerWaalsContact CG-OD2 3.24Å; P20-D353 WeakPolarHBondContact CG-OD2 3.31Å
21	L	71.1	Confident	75.2	Confident	53 Å²	53	58.8 Å²	58.8	28%	0.277	28%	0.28	S	S	.	.	H	α-helix	trans	-69.5	-17	174.7	-60.2	174.5	0	0	0	113.3	H19 E25 Q26	H19-L21 VanDerWaalsContact CE1-CD1 3.49Å; H19-L21 WeakPolarHBondContact CE1-CD1 3.37Å; H19-L21 VanDerWaalsContact CE1-CG 3.41Å; H19-L21 WeakPolarHBondContact CE1-CG 3.45Å; H19-L21 WeakPolarHBondContact ND1-CB 3.41Å; H19-L21 PolarHBondContact ND1-N 3.34Å; H19-L21 VanDerWaalsContact ND1-N 3.16Å; H19-L21 PolarHBondContact O-N 3.45Å; L21-E25 PolarHBondContact O-N 3.01Å; L21-Q26 HydrophobicContact CB-CG 4.23Å; L21-Q26 WeakPolarHBondContact O-CG 3.41Å; L21-Q26 PolarHBondContact O-N 3.44Å
22	W	78.1	Confident	75.6	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.286	C	S	.	.	I	π-helix	trans	-58.4	-54	178.4	176.7	-111	0	0	0	111	C10 M18 H19 P20 Q26 R27 W30 F50 L53	C10-W22 HydrophobicContact CB-CZ2 4.12Å; M18-W22 HydrophobicContact CB-CB 3.99Å; M18-W22 HydrophobicContact CB-CG 4.03Å; M18-W22 HydrophobicContact CE-CB 4.48Å; M18-W22 HydrophobicContact CE-CD2 3.5Å; M18-W22 VanDerWaalsContact CE-CE2 3.4Å; M18-W22 HydrophobicContact CE-CE3 4.18Å; M18-W22 HydrophobicContact CE-CG 3.62Å; M18-W22 HydrophobicContact CE-CZ2 4Å; M18-W22 HydrophobicContact CG-CG 4.32Å; H19-W22 WeakPolarHBondContact O-CB 3.48Å; H19-W22 PolarHBondContact O-N 3.27Å; P20-W22 PolarHBondContact O-N 2.8Å; W22-Q26 HydrophobicContact CE3-CB 4.07Å; W22-Q26 PolarHBondContact O-N 2.88Å; W22-R27 HydrophobicContact CD2-CB 4.33Å; W22-R27 HydrophobicContact CZ2-CB 4.35Å; W22-R27 HydrophobicContact CZ2-CG 4.37Å; W22-R27 WeakPolarHBondContact O-CA 3.43Å; W22-R27 WeakPolarHBondContact O-CB 3.44Å; W22-R27 PolarHBondContact O-N 3.33Å; W22-W30 HydrophobicContact CH2-CB 3.92Å; W22-W30 AromaticContact CH2-CD2 3.71Å; W22-W30 HydrophobicContact CH2-CD2 3.71Å; W22-W30 AromaticContact CH2-CE3 3.86Å; W22-W30 HydrophobicContact CH2-CE3 3.86Å; W22-W30 AromaticContact CH2-CG 3.74Å; W22-W30 HydrophobicContact CH2-CG 3.74Å; W22-W30 HydrophobicContact CZ3-CB 3.8Å; W22-W30 HydrophobicContact CZ3-CD2 4.25Å; W22-W30 AromaticContact CZ3-CG 3.81Å; W22-W30 HydrophobicContact CZ3-CG 3.81Å; W22-F50 AromaticContact CH2-CD2 3.64Å; W22-F50 HydrophobicContact CH2-CD2 3.64Å; W22-F50 AromaticContact CH2-CE2 3.89Å; W22-F50 HydrophobicContact CH2-CE2 3.89Å; W22-F50 HydrophobicContact CZ2-CD2 4.21Å; W22-F50 AromaticContact CZ2-CE2 3.97Å; W22-F50 HydrophobicContact CZ2-CE2 3.97Å; W22-F50 AromaticContact CZ3-CD2 3.99Å; W22-F50 HydrophobicContact CZ3-CD2 3.99Å; W22-L53 HydrophobicContact CE3-CB 4.29Å; W22-L53 HydrophobicContact CE3-CD1 3.54Å; W22-L53 HydrophobicContact CE3-CG 4.49Å; W22-L53 HydrophobicContact CZ3-CD1 3.94Å
23	W	75.9	Confident	75.9	Confident	63 Å²	63	54.8 Å²	54.8	24%	0.239	27%	0.266	C	S	.	.	I	π-helix	trans	-77.1	-27.3	-177.3	-58.5	112.9	0	0	0	113.6	F13 E15 M18 R27	F13-W23 HydrophobicContact CB-CZ2 4.42Å; F13-W23 VanDerWaalsContact O-CZ2 3.31Å; F13-W23 WeakPolarHBondContact O-CZ2 3.46Å; E15-W23 VanDerWaalsContact CA-NE1 3.35Å; E15-W23 HydrophobicContact CG-CD2 4.49Å; E15-W23 HydrophobicContact CG-CG 4.45Å; E15-W23 HydrophobicContact CG-CZ2 4.47Å; M18-W23 HydrophobicContact CG-CZ2 4.21Å; W23-R27 VanDerWaalsContact CE3-CD 3.46Å; W23-R27 VanDerWaalsContact CZ3-CD 3.42Å; W23-R27 HydrophobicContact CZ3-CG 4.47Å; W23-R27 VanDerWaalsContact CZ3-CZ 3.47Å
24	R	72.4	Confident	76.4	Confident	208 Å²	208	54.5 Å²	54.5	79%	0.785	26%	0.264	S	S	*	.	I	π-helix	trans	-78.3	-46.1	-177.9	-67	-175.2	179.7	-162.3	0	113.4
25	E	75	Confident	76.9	Confident	119 Å²	119	56.9 Å²	56.9	56%	0.556	28%	0.275	S	S	*	.	I	π-helix	trans	-131.6	-43.9	-166.9	-67.7	171.7	-167.9	0	0	112.2	L21	L21-E25 PolarHBondContact O-N 3.01Å
26	Q	77.1	Confident	77.5	Confident	28 Å²	28	55.4 Å²	55.4	13%	0.131	27%	0.271	C	S	.	.	I	π-helix	trans	-83	-27.7	-164.7	-58.1	-70.1	-44.9	0	0	113.3	L21 W22 W30 L53	L21-Q26 HydrophobicContact CB-CG 4.23Å; L21-Q26 WeakPolarHBondContact O-CG 3.41Å; L21-Q26 PolarHBondContact O-N 3.44Å; W22-Q26 HydrophobicContact CE3-CB 4.07Å; W22-Q26 PolarHBondContact O-N 2.88Å; Q26-W30 WeakPolarHBondContact O-CB 3.43Å; Q26-W30 PolarHBondContact O-N 2.96Å; Q26-L53 HydrophobicContact CB-CD1 3.87Å; Q26-L53 HydrophobicContact CG-CD1 4.14Å; Q26-L53 HydrophobicContact CG-CD2 4.44Å
27	R	82.5	Confident	78	Confident	82 Å²	82	54.4 Å²	54.4	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-48.1	-177.7	175.3	-172.7	-177.6	179.9	-0.6	111.9	W22 W23 W30 L31	W22-R27 HydrophobicContact CD2-CB 4.33Å; W22-R27 HydrophobicContact CZ2-CB 4.35Å; W22-R27 HydrophobicContact CZ2-CG 4.37Å; W22-R27 WeakPolarHBondContact O-CA 3.43Å; W22-R27 WeakPolarHBondContact O-CB 3.44Å; W22-R27 PolarHBondContact O-N 3.33Å; W23-R27 VanDerWaalsContact CE3-CD 3.46Å; W23-R27 VanDerWaalsContact CZ3-CD 3.42Å; W23-R27 HydrophobicContact CZ3-CG 4.47Å; W23-R27 VanDerWaalsContact CZ3-CZ 3.47Å; R27-W30 PolarHBondContact O-N 3.07Å; R27-L31 HydrophobicContact CG-CD1 3.95Å; R27-L31 HydrophobicContact CG-CG 4.44Å; R27-L31 WeakPolarHBondContact O-CB 3.47Å; R27-L31 VanDerWaalsContact O-CG 3.28Å; R27-L31 WeakPolarHBondContact O-CG 3.32Å; R27-L31 PolarHBondContact O-N 3.37Å
28	A	83.1	Confident	78.4	Confident	74 Å²	74	62.7 Å²	62.7	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-65	-43.9	-177.3	0	0	0	0	0	110.9	K32	A28-K32 WeakPolarHBondContact O-CB 3.44Å; A28-K32 PolarHBondContact O-N 3.18Å
29	D	82.3	Confident	78.7	Confident	72 Å²	72	71.3 Å²	71.3	39%	0.385	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-42.9	175.4	-172.7	46.4	0	0	0	112	L31 K32 T33	D29-L31 PolarHBondContact O-N 3.08Å; D29-K32 PolarHBondContact O-N 2.86Å; D29-T33 WeakPolarHBondContact O-CB 3.3Å; D29-T33 VanDerWaalsContact O-CG2 3.28Å; D29-T33 WeakPolarHBondContact O-CG2 3.43Å; D29-T33 PolarHBondContact O-N 3.43Å; D29-T33 PolarHBondContact O-OG1 3.37Å
30	W	81.5	Confident	79.2	Confident	8 Å²	8	73.2 Å²	73.2	3%	0.03	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-40.9	178.4	-171.2	90.6	0	0	0	112.8	L6 C10 W22 Q26 R27 T33 L34 H46 F50	L6-W30 HydrophobicContact CB-CH2 3.97Å; C10-W30 HydrophobicContact CB-CZ3 4.33Å; C10-W30 WeakPolarHBondContact SG-CH2 3.28Å; C10-W30 WeakPolarHBondContact SG-CZ3 3.07Å; W22-W30 HydrophobicContact CH2-CB 3.92Å; W22-W30 AromaticContact CH2-CD2 3.71Å; W22-W30 HydrophobicContact CH2-CD2 3.71Å; W22-W30 AromaticContact CH2-CE3 3.86Å; W22-W30 HydrophobicContact CH2-CE3 3.86Å; W22-W30 AromaticContact CH2-CG 3.74Å; W22-W30 HydrophobicContact CH2-CG 3.74Å; W22-W30 HydrophobicContact CZ3-CB 3.8Å; W22-W30 HydrophobicContact CZ3-CD2 4.25Å; W22-W30 AromaticContact CZ3-CG 3.81Å; W22-W30 HydrophobicContact CZ3-CG 3.81Å; Q26-W30 WeakPolarHBondContact O-CB 3.43Å; Q26-W30 PolarHBondContact O-N 2.96Å; R27-W30 PolarHBondContact O-N 3.07Å; W30-T33 VanDerWaalsContact CA-OG1 3.27Å; W30-T33 WeakPolarHBondContact CA-OG1 3.31Å; W30-T33 PolarHBondContact O-OG1 3.19Å; W30-L34 HydrophobicContact CE3-CD2 4.41Å; W30-L34 HydrophobicContact CH2-CD2 3.81Å; W30-L34 HydrophobicContact CZ3-CD2 3.66Å; W30-L34 VanDerWaalsContact O-CB 3.24Å; W30-L34 WeakPolarHBondContact O-CB 3.45Å; W30-L34 PolarHBondContact O-N 3.41Å; W30-H46 PolarHBondContact NE1-O 2.6Å; W30-F50 HydrophobicContact CZ2-CB 4.19Å; W30-F50 HydrophobicContact CZ2-CD2 4.05Å; W30-F50 HydrophobicContact CZ2-CG 4.13Å
31	L	83.7	Confident	79.7	Confident	30 Å²	30	78.8 Å²	78.8	16%	0.157	37%	0.372	C	S	.	.	H	α-helix	trans	-65.8	-46.8	175.8	-71.1	173.1	0	0	0	111.2	R27 D29 T33 L34 D35	R27-L31 HydrophobicContact CG-CD1 3.95Å; R27-L31 HydrophobicContact CG-CG 4.44Å; R27-L31 WeakPolarHBondContact O-CB 3.47Å; R27-L31 VanDerWaalsContact O-CG 3.28Å; R27-L31 WeakPolarHBondContact O-CG 3.32Å; R27-L31 PolarHBondContact O-N 3.37Å; D29-L31 PolarHBondContact O-N 3.08Å; L31-T33 VanDerWaalsContact C-N 3.3Å; L31-T33 PolarHBondContact O-N 3.28Å; L31-L34 PolarHBondContact O-N 3.35Å; L31-D35 PolarHBondContact O-N 3.4Å
32	K	84.1	Confident	80.1	Confident	139 Å²	139	78.6 Å²	78.6	60%	0.604	37%	0.373	S	S	*	.	H	α-helix	trans	-59.3	-42.1	177.1	-175.7	-178.9	180	-176	0	111.9	A28 D29 N36	A28-K32 WeakPolarHBondContact O-CB 3.44Å; A28-K32 PolarHBondContact O-N 3.18Å; D29-K32 PolarHBondContact O-N 2.86Å; K32-N36 VanDerWaalsContact O-CG 3.32Å; K32-N36 PolarHBondContact O-N 2.88Å; K32-N36 PolarHBondContact O-ND2 3.28Å
33	T	79.9	Confident	80.2	Confident	29 Å²	29	78.8 Å²	78.8	18%	0.178	37%	0.374	C	S	.	.	H	α-helix	trans	-73.3	-34.8	179.2	49.7	0	0	0	0	112.7	D29 W30 L31 D35 N36 A37 H46	D29-T33 WeakPolarHBondContact O-CB 3.3Å; D29-T33 VanDerWaalsContact O-CG2 3.28Å; D29-T33 WeakPolarHBondContact O-CG2 3.43Å; D29-T33 PolarHBondContact O-N 3.43Å; D29-T33 PolarHBondContact O-OG1 3.37Å; W30-T33 VanDerWaalsContact CA-OG1 3.27Å; W30-T33 WeakPolarHBondContact CA-OG1 3.31Å; W30-T33 PolarHBondContact O-OG1 3.19Å; L31-T33 VanDerWaalsContact C-N 3.3Å; L31-T33 PolarHBondContact O-N 3.28Å; T33-D35 VanDerWaalsContact C-N 3.31Å; T33-D35 PolarHBondContact O-N 3.2Å; T33-N36 CarbonylContact O-C 3.52Å; T33-N36 PolarHBondContact O-N 2.86Å; T33-A37 WeakPolarHBondContact O-CB 3.42Å; T33-A37 PolarHBondContact O-N 3.04Å; T33-H46 VanDerWaalsContact CB-CD2 3.45Å; T33-H46 WeakPolarHBondContact CB-CD2 3.08Å; T33-H46 WeakPolarHBondContact CB-NE2 3.43Å; T33-H46 WeakPolarHBondContact CG2-NE2 3.23Å; T33-H46 PolarHBondContact OG1-CD2 3.44Å; T33-H46 PolarHBondContact OG1-NE2 3.19Å
34	L	82.7	Confident	80.2	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-62.5	-39	173.8	-175.8	70	0	0	0	111.9	R3 L6 W30 L31 N36 A37 L43	R3-L34 PolarHBondContact NE-O 3.46Å; L6-L34 HydrophobicContact CB-CD1 4.44Å; L6-L34 HydrophobicContact CB-CD2 3.71Å; L6-L34 HydrophobicContact CD1-CD1 3.65Å; L6-L34 HydrophobicContact CD1-CD2 4.46Å; W30-L34 HydrophobicContact CE3-CD2 4.41Å; W30-L34 HydrophobicContact CH2-CD2 3.81Å; W30-L34 HydrophobicContact CZ3-CD2 3.66Å; W30-L34 VanDerWaalsContact O-CB 3.24Å; W30-L34 WeakPolarHBondContact O-CB 3.45Å; W30-L34 PolarHBondContact O-N 3.41Å; L31-L34 PolarHBondContact O-N 3.35Å; L34-N36 VanDerWaalsContact C-N 3.34Å; L34-A37 PolarHBondContact O-N 2.81Å; L34-L43 HydrophobicContact CD1-CD1 3.81Å
35	D	82.8	Confident	80.2	Confident	90 Å²	90	71 Å²	71	48%	0.481	35%	0.352	S	S	.	.	H	α-helix	trans	-67.4	-35.3	176.2	-71.8	-26.4	0	0	0	112.1	R3 L31 T33	R3-D35 PolarHBondContact NH1-O 2.92Å; L31-D35 PolarHBondContact O-N 3.4Å; T33-D35 VanDerWaalsContact C-N 3.31Å; T33-D35 PolarHBondContact O-N 3.2Å
36	N	83.1	Confident	80.2	Confident	106 Å²	106	66.4 Å²	66.4	57%	0.567	33%	0.331	S	S	*	.	H	α-helix	trans	-90	-1	179.7	-64.7	-32.1	0	0	0	114.4	K32 T33 L34 E38	K32-N36 VanDerWaalsContact O-CG 3.32Å; K32-N36 PolarHBondContact O-N 2.88Å; K32-N36 PolarHBondContact O-ND2 3.28Å; T33-N36 CarbonylContact O-C 3.52Å; T33-N36 PolarHBondContact O-N 2.86Å; L34-N36 VanDerWaalsContact C-N 3.34Å; N36-E38 PolarHBondContact O-N 3.29Å
37	A	79.4	Confident	80.2	Confident	12 Å²	12	65.1 Å²	65.1	10%	0.099	33%	0.325	C	S	.	.			trans	-72.8	93.2	-174.3	0	0	0	0	0	112.1	R3 T33 L34	R3-A37 PolarHBondContact NH2-O 3.44Å; T33-A37 WeakPolarHBondContact O-CB 3.42Å; T33-A37 PolarHBondContact O-N 3.04Å; L34-A37 PolarHBondContact O-N 2.81Å
38	E	79.4	Confident	79.8	Confident	173 Å²	173	62.8 Å²	62.8	81%	0.808	32%	0.323	S	S	*	.			trans	-87.4	-28	176.9	-66.3	-180	179.5	0	0	113.1	N36	N36-E38 PolarHBondContact O-N 3.29Å
39	R	81.9	Confident	79.3	Confident	181 Å²	181	63.1 Å²	63.1	68%	0.683	31%	0.309	S	S	*	.	S	Bend	trans	-104.1	141.3	-175.1	-62.9	-177.9	-176.7	159.7	2.3	111.8	E41 T42 L43	R39-E41 VanDerWaalsContact C-N 3.3Å; R39-E41 PolarHBondContact O-N 2.87Å; R39-T42 HydrophobicContact CB-CG2 4.11Å; R39-T42 PolarHBondContact O-N 3.46Å; R39-T42 PolarHBondContact O-OG1 2.91Å; R39-L43 PolarHBondContact O-N 3.18Å; R39-L43 VanDerWaalsContact O-N 3.13Å
40	L	80.5	Confident	79	Confident	42 Å²	42	59.7 Å²	59.7	22%	0.22	29%	0.29	C	S	.	.	H	α-helix	trans	-55.2	-44.5	176.4	177.3	62.6	0	0	0	112.4	T42 L43 I44 T312 L315 V318	L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.01Å; L40-L43 WeakPolarHBondContact O-CB 3.35Å; L40-L43 PolarHBondContact O-N 3.39Å; L40-L43 VanDerWaalsContact O-N 3.15Å; L40-I44 HydrophobicContact CD1-CD1 4.07Å; L40-I44 HydrophobicContact CD1-CG1 4.23Å; L40-I44 HydrophobicContact CD2-CD1 4.45Å; L40-I44 HydrophobicContact CG-CD1 3.81Å; L40-I44 HydrophobicContact CG-CG1 4.4Å; L40-I44 WeakPolarHBondContact O-CG1 3.49Å; L40-I44 PolarHBondContact O-N 3Å; L40-T312 WeakPolarHBondContact CD2-O 2.85Å; L40-L315 HydrophobicContact CB-CD2 4.4Å; L40-L315 HydrophobicContact CD1-CD2 3.8Å; L40-L315 HydrophobicContact CD1-CG 4.25Å; L40-V318 HydrophobicContact CD1-CG2 3.67Å
41	E	78.4	Confident	78.7	Confident	144 Å²	144	59.7 Å²	59.7	67%	0.673	29%	0.29	S	S	*	.	H	α-helix	trans	-59.4	-43	179.5	-64.9	172.7	179.5	0	0	111.8	R39 I44 N45	R39-E41 VanDerWaalsContact C-N 3.3Å; R39-E41 PolarHBondContact O-N 2.87Å; E41-I44 PolarHBondContact O-N 3.18Å; E41-N45 PolarHBondContact O-N 3.2Å; E41-N45 PolarHBondContact O-ND2 2.92Å
42	T	78.7	Confident	78.1	Confident	48 Å²	48	60.6 Å²	60.6	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-48.3	175.7	63.3	0	0	0	0	109.8	R39 L40 I44 N45 H46	R39-T42 HydrophobicContact CB-CG2 4.11Å; R39-T42 PolarHBondContact O-N 3.46Å; R39-T42 PolarHBondContact O-OG1 2.91Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.01Å; T42-I44 PolarHBondContact O-N 3.27Å; T42-N45 PolarHBondContact O-N 3.01Å; T42-H46 VanDerWaalsContact C-ND1 3.35Å; T42-H46 PolarHBondContact O-N 2.97Å; T42-H46 PolarHBondContact O-ND1 2.88Å
43	L	79.3	Confident	77.4	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-43.9	178.9	-178.2	70	0	0	0	112.4	L2 L6 L34 R39 L40 N45 H46 L47 L315 V318	L2-L43 HydrophobicContact CD2-CD1 4.08Å; L2-L43 HydrophobicContact CD2-CD2 3.51Å; L2-L43 HydrophobicContact CD2-CG 4.42Å; L6-L43 HydrophobicContact CD1-CD1 4.36Å; L34-L43 HydrophobicContact CD1-CD1 3.81Å; R39-L43 PolarHBondContact O-N 3.18Å; R39-L43 VanDerWaalsContact O-N 3.13Å; L40-L43 WeakPolarHBondContact O-CB 3.35Å; L40-L43 PolarHBondContact O-N 3.39Å; L40-L43 VanDerWaalsContact O-N 3.15Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 3.26Å; L43-H46 PolarHBondContact O-N 3.46Å; L43-L47 HydrophobicContact CD1-CD1 4.26Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CD2-CD1 4.39Å; L43-L47 HydrophobicContact CG-CD1 3.89Å; L43-L47 HydrophobicContact CG-CG 4.43Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 VanDerWaalsContact O-CG 3.32Å; L43-L47 WeakPolarHBondContact O-CG 3.3Å; L43-L47 PolarHBondContact O-N 2.69Å; L43-L315 HydrophobicContact CB-CD2 4.41Å; L43-L315 HydrophobicContact CD2-CD2 3.43Å; L43-L315 VanDerWaalsContact CD2-CD2 3.43Å; L43-V318 HydrophobicContact CD2-CG1 4.06Å
44	I	76.7	Confident	77.2	Confident	12 Å²	12	53.1 Å²	53.1	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-45.5	176.6	-72	168.1	0	0	0	110.5	L40 E41 T42 L47 A48 T309 Q310 T312 V318	L40-I44 HydrophobicContact CD1-CD1 4.07Å; L40-I44 HydrophobicContact CD1-CG1 4.23Å; L40-I44 HydrophobicContact CD2-CD1 4.45Å; L40-I44 HydrophobicContact CG-CD1 3.81Å; L40-I44 HydrophobicContact CG-CG1 4.4Å; L40-I44 WeakPolarHBondContact O-CG1 3.49Å; L40-I44 PolarHBondContact O-N 3Å; E41-I44 PolarHBondContact O-N 3.18Å; T42-I44 PolarHBondContact O-N 3.27Å; I44-L47 PolarHBondContact O-N 2.96Å; I44-A48 WeakPolarHBondContact O-CB 3.36Å; I44-A48 PolarHBondContact O-N 2.88Å; I44-T309 WeakPolarHBondContact CD1-O 3.43Å; I44-T309 HydrophobicContact CG2-CG2 4.35Å; I44-Q310 HydrophobicContact CG2-CG 4.35Å; I44-T312 WeakPolarHBondContact CD1-OG1 3.48Å; I44-V318 HydrophobicContact CG1-CG2 4.18Å
45	N	72.5	Confident	76.5	Confident	96 Å²	96	53 Å²	53	51%	0.513	26%	0.26	S	S	.	.	H	α-helix	trans	-64.3	-41	178.4	-72.4	-23	0	0	0	112	E41 T42 L43 A48 R49	E41-N45 PolarHBondContact O-N 3.2Å; E41-N45 PolarHBondContact O-ND2 2.92Å; T42-N45 PolarHBondContact O-N 3.01Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 3.26Å; N45-A48 PolarHBondContact O-N 3.36Å; N45-R49 WeakPolarHBondContact O-CG 3.44Å; N45-R49 PolarHBondContact O-N 3.19Å
46	H	74.7	Confident	75.6	Confident	21 Å²	21	50.8 Å²	50.8	10%	0.097	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-37	176.4	-68.7	96.4	0	0	0	112.5	W30 T33 T42 L43 R49 F50	W30-H46 PolarHBondContact NE1-O 2.6Å; T33-H46 VanDerWaalsContact CB-CD2 3.45Å; T33-H46 WeakPolarHBondContact CB-CD2 3.08Å; T33-H46 WeakPolarHBondContact CB-NE2 3.43Å; T33-H46 WeakPolarHBondContact CG2-NE2 3.23Å; T33-H46 PolarHBondContact OG1-CD2 3.44Å; T33-H46 PolarHBondContact OG1-NE2 3.19Å; T42-H46 VanDerWaalsContact C-ND1 3.35Å; T42-H46 PolarHBondContact O-N 2.97Å; T42-H46 PolarHBondContact O-ND1 2.88Å; L43-H46 PolarHBondContact O-N 3.46Å; H46-R49 PolarHBondContact O-N 3.3Å; H46-F50 WeakPolarHBondContact O-CB 3.2Å; H46-F50 PolarHBondContact O-N 3.13Å
47	L	76.9	Confident	74.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-70.6	-38.5	175	-73.4	171	0	0	0	112	L6 L43 I44 F50 E51 V318 W322	L6-L47 HydrophobicContact CD1-CD2 3.98Å; L6-L47 HydrophobicContact CD2-CD2 3.74Å; L43-L47 HydrophobicContact CD1-CD1 4.26Å; L43-L47 HydrophobicContact CD1-CG 4.4Å; L43-L47 HydrophobicContact CD2-CD1 4.39Å; L43-L47 HydrophobicContact CG-CD1 3.89Å; L43-L47 HydrophobicContact CG-CG 4.43Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 VanDerWaalsContact O-CG 3.32Å; L43-L47 WeakPolarHBondContact O-CG 3.3Å; L43-L47 PolarHBondContact O-N 2.69Å; I44-L47 PolarHBondContact O-N 2.96Å; L47-F50 WeakPolarHBondContact O-CB 3.32Å; L47-F50 PolarHBondContact O-N 3.11Å; L47-E51 PolarHBondContact O-N 3.28Å; L47-V318 HydrophobicContact CD1-CG1 3.12Å; L47-W322 HydrophobicContact CB-CD2 4.44Å; L47-W322 HydrophobicContact CB-CH2 4.41Å; L47-W322 HydrophobicContact CB-CZ2 3.69Å; L47-W322 HydrophobicContact CD1-CD2 4.45Å; L47-W322 HydrophobicContact CD1-CG 4.15Å; L47-W322 HydrophobicContact CD2-CD2 3.88Å; L47-W322 HydrophobicContact CD2-CE3 4.21Å; L47-W322 HydrophobicContact CD2-CG 4.17Å; L47-W322 HydrophobicContact CD2-CZ2 4.42Å; L47-W322 HydrophobicContact CG-CD2 4.49Å; L47-W322 VanDerWaalsContact O-CH2 3.25Å; L47-W322 WeakPolarHBondContact O-CH2 3.4Å; L47-W322 WeakPolarHBondContact O-CZ2 3.24Å
48	A	74.8	Confident	73.9	Confident	34 Å²	34	46.9 Å²	46.9	28%	0.281	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-43.5	172.5	0	0	0	0	0	111.3	I44 N45 F50 E51 L52	I44-A48 WeakPolarHBondContact O-CB 3.36Å; I44-A48 PolarHBondContact O-N 2.88Å; N45-A48 PolarHBondContact O-N 3.36Å; A48-F50 VanDerWaalsContact C-N 3.35Å; A48-F50 PolarHBondContact O-N 3.46Å; A48-E51 WeakPolarHBondContact O-CB 3.37Å; A48-E51 PolarHBondContact O-N 3.01Å; A48-L52 WeakPolarHBondContact O-CG 3.48Å; A48-L52 PolarHBondContact O-N 3.26Å; A48-L52 VanDerWaalsContact O-N 3.16Å
49	R	71.3	Confident	73.2	Confident	81 Å²	81	39.1 Å²	39.1	31%	0.306	20%	0.195	S	C	.	.	H	α-helix	trans	-59.6	-44.9	172.9	-74.2	176.8	-177.9	179	0.2	111.6	N45 H46 E51 L52 L53 M416	N45-R49 WeakPolarHBondContact O-CG 3.44Å; N45-R49 PolarHBondContact O-N 3.19Å; H46-R49 PolarHBondContact O-N 3.3Å; R49-E51 PolarHBondContact O-N 3.36Å; R49-L52 PolarHBondContact O-N 3.04Å; R49-L53 WeakPolarHBondContact O-CG 3.48Å; R49-L53 PolarHBondContact O-N 3.25Å; R49-M416 PolarHBondContact NH2-SD 3.01Å; R49-M416 VanDerWaalsContact NH2-SD 3.37Å
50	F	76.6	Confident	72.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-45.2	175.7	-178.7	-102.5	0	0	0	111.9	L9 F13 M18 W22 W30 H46 L47 A48 L52 L53 V54 W322 L326	L9-F50 HydrophobicContact CD2-CE1 3.69Å; L9-F50 HydrophobicContact CD2-CZ 3.62Å; F13-F50 HydrophobicContact CD2-CZ 4.15Å; F13-F50 HydrophobicContact CE2-CE1 4.33Å; F13-F50 AromaticContact CE2-CZ 3.59Å; F13-F50 HydrophobicContact CE2-CZ 3.59Å; F13-F50 HydrophobicContact CZ-CZ 4.14Å; M18-F50 HydrophobicContact CE-CD2 4.33Å; M18-F50 HydrophobicContact CE-CE2 3.66Å; M18-F50 HydrophobicContact CE-CZ 4.25Å; W22-F50 AromaticContact CH2-CD2 3.64Å; W22-F50 HydrophobicContact CH2-CD2 3.64Å; W22-F50 AromaticContact CH2-CE2 3.89Å; W22-F50 HydrophobicContact CH2-CE2 3.89Å; W22-F50 HydrophobicContact CZ2-CD2 4.21Å; W22-F50 AromaticContact CZ2-CE2 3.97Å; W22-F50 HydrophobicContact CZ2-CE2 3.97Å; W22-F50 AromaticContact CZ3-CD2 3.99Å; W22-F50 HydrophobicContact CZ3-CD2 3.99Å; W30-F50 HydrophobicContact CZ2-CB 4.19Å; W30-F50 HydrophobicContact CZ2-CD2 4.05Å; W30-F50 HydrophobicContact CZ2-CG 4.13Å; H46-F50 WeakPolarHBondContact O-CB 3.2Å; H46-F50 PolarHBondContact O-N 3.13Å; L47-F50 WeakPolarHBondContact O-CB 3.32Å; L47-F50 PolarHBondContact O-N 3.11Å; A48-F50 VanDerWaalsContact C-N 3.35Å; A48-F50 PolarHBondContact O-N 3.46Å; F50-L52 PolarHBondContact O-N 3.37Å; F50-L53 PolarHBondContact O-N 3.33Å; F50-L53 VanDerWaalsContact O-N 3.09Å; F50-V54 HydrophobicContact CD1-CG2 4.08Å; F50-V54 HydrophobicContact CE1-CG2 3.65Å; F50-V54 HydrophobicContact CE2-CG2 4.18Å; F50-V54 HydrophobicContact CZ-CG2 3.7Å; F50-V54 WeakPolarHBondContact O-CG2 3.47Å; F50-V54 PolarHBondContact O-N 2.9Å; F50-W322 HydrophobicContact CD1-CH2 4.16Å; F50-W322 AromaticContact CD1-CZ3 3.72Å; F50-W322 HydrophobicContact CD1-CZ3 3.72Å; F50-W322 HydrophobicContact CE1-CZ3 4.18Å; F50-L326 HydrophobicContact CE1-CD2 4.31Å
51	E	74.8	Confident	71.3	Confident	7 Å²	7	36 Å²	36	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-55.9	-38.2	176.1	-153.6	-158.3	121.9	0	0	112.7	L47 A48 R49 W63 Q302 R306 W322	L47-E51 PolarHBondContact O-N 3.28Å; A48-E51 WeakPolarHBondContact O-CB 3.37Å; A48-E51 PolarHBondContact O-N 3.01Å; R49-E51 PolarHBondContact O-N 3.36Å; E51-W63 HydrophobicContact CG-CH2 4.07Å; E51-Q302 WeakPolarHBondContact OE1-CG 3.48Å; E51-Q302 PolarHBondContact OE1-NE2 3.11Å; E51-R306 IonicContact OE1-CZ 3.64Å; E51-R306 VanDerWaalsContact OE1-CZ 3.26Å; E51-R306 IonicContact OE1-NE 3.46Å; E51-R306 PolarHBondContact OE1-NE 2.91Å; E51-R306 IonicContact OE1-NH2 2.76Å; E51-R306 PolarHBondContact OE1-NH2 3.37Å; E51-R306 VanDerWaalsContact OE2-CG 3.25Å; E51-R306 WeakPolarHBondContact OE2-CG 3.42Å; E51-R306 IonicContact OE2-NE 3.26Å; E51-R306 PolarHBondContact OE2-NE 3.48Å; E51-W322 HydrophobicContact CB-CH2 3.76Å; E51-W322 HydrophobicContact CB-CZ2 4.33Å; E51-W322 HydrophobicContact CG-CH2 4.02Å
52	L	70.7	Confident	70.4	Confident	50 Å²	50	30.8 Å²	30.8	26%	0.262	17%	0.169	S	C	.	.	H	α-helix	trans	-72.3	-30	-179.8	-66.6	171.1	0	0	0	112.5	A48 R49 F50 I409	A48-L52 WeakPolarHBondContact O-CG 3.48Å; A48-L52 PolarHBondContact O-N 3.26Å; A48-L52 VanDerWaalsContact O-N 3.16Å; R49-L52 PolarHBondContact O-N 3.04Å; F50-L52 PolarHBondContact O-N 3.37Å; L52-I409 WeakPolarHBondContact O-CD1 3.39Å
53	L	71.5	Confident	69.6	Low	6 Å²	6	30 Å²	30	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-83	-22.4	179.5	-64.9	167.5	0	0	0	112.2	H19 W22 Q26 R49 F50 R55 I409	H19-L53 HydrophobicContact CB-CB 4.37Å; H19-L53 HydrophobicContact CB-CD2 3.89Å; H19-L53 WeakPolarHBondContact CB-O 3.13Å; H19-L53 PolarHBondContact N-O 3.45Å; W22-L53 HydrophobicContact CE3-CB 4.29Å; W22-L53 HydrophobicContact CE3-CD1 3.54Å; W22-L53 HydrophobicContact CE3-CG 4.49Å; W22-L53 HydrophobicContact CZ3-CD1 3.94Å; Q26-L53 HydrophobicContact CB-CD1 3.87Å; Q26-L53 HydrophobicContact CG-CD1 4.14Å; Q26-L53 HydrophobicContact CG-CD2 4.44Å; R49-L53 WeakPolarHBondContact O-CG 3.48Å; R49-L53 PolarHBondContact O-N 3.25Å; F50-L53 PolarHBondContact O-N 3.33Å; F50-L53 VanDerWaalsContact O-N 3.09Å; L53-R55 PolarHBondContact O-N 3.27Å; L53-I409 HydrophobicContact CD2-CD1 4.41Å
54	V	73.7	Confident	68.7	Low	4 Å²	4	32.4 Å²	32.4	2%	0.024	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-74.1	122	171.7	173.9	0	0	0	0	109.2	F13 M18 F50 T58 L59 M329	F13-V54 HydrophobicContact CE1-CG1 4.33Å; F13-V54 HydrophobicContact CE1-CG2 4.36Å; F13-V54 HydrophobicContact CZ-CG2 4.25Å; M18-V54 HydrophobicContact CE-CG2 4.03Å; M18-V54 HydrophobicContact SD-CB 4.46Å; M18-V54 HydrophobicContact SD-CG2 3.79Å; F50-V54 HydrophobicContact CD1-CG2 4.08Å; F50-V54 HydrophobicContact CE1-CG2 3.65Å; F50-V54 HydrophobicContact CE2-CG2 4.18Å; F50-V54 HydrophobicContact CZ-CG2 3.7Å; F50-V54 WeakPolarHBondContact O-CG2 3.47Å; F50-V54 PolarHBondContact O-N 2.9Å; V54-T58 HydrophobicContact CG1-CG2 4.28Å; V54-T58 WeakPolarHBondContact CG1-OG1 3.25Å; V54-L59 HydrophobicContact CG1-CD2 4.47Å; V54-M329 HydrophobicContact CG1-CE 3.96Å
55	R	68	Low	67.9	Low	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.19	C	C	.	.			trans	-66.6	137.2	-177.5	-71.8	160.4	171.2	-48.5	3.7	110.1	T16 L17 M18 L53 S57 T58 D353 C361 Y363 L407	T16-R55 VanDerWaalsContact O-CD 3.25Å; T16-R55 WeakPolarHBondContact O-CD 3.3Å; T16-R55 PolarHBondContact O-NE 3.44Å; L17-R55 VanDerWaalsContact C-CD 3.46Å; L17-R55 WeakPolarHBondContact O-CB 3.46Å; L17-R55 WeakPolarHBondContact O-CD 3.47Å; L17-R55 PolarHBondContact O-N 2.91Å; M18-R55 PolarHBondContact O-NE 2.81Å; M18-R55 PolarHBondContact O-NH2 2.85Å; L53-R55 PolarHBondContact O-N 3.27Å; R55-S57 PolarHBondContact O-N 3.43Å; R55-T58 HydrophobicContact CB-CG2 4.33Å; R55-T58 WeakPolarHBondContact O-CB 3.45Å; R55-T58 WeakPolarHBondContact O-CG2 3.19Å; R55-T58 PolarHBondContact O-N 2.72Å; R55-T58 PolarHBondContact O-OG1 3.39Å; R55-D353 IonicContact NH2-OD1 3.27Å; R55-C361 PolarHBondContact NH1-SG 3.11Å; R55-Y363 WeakPolarHBondContact CD-OH 3.47Å; R55-Y363 VanDerWaalsContact CG-OH 3.28Å; R55-Y363 WeakPolarHBondContact CG-OH 3.47Å; R55-Y363 PolarHBondContact NE-OH 3.09Å; R55-Y363 VanDerWaalsContact NE-OH 3.14Å; R55-Y363 PolarHBondContact NH1-OH 2.91Å; R55-L407 HydrophobicContact CG-CD1 4.31Å
56	P	65.2	Low	67.5	Low	43 Å²	43	33.3 Å²	33.3	28%	0.279	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-58.2	-23.7	-178.2	-28.1	34.6	0	0	0	115.6	T58 L59	P56-T58 PolarHBondContact O-N 2.75Å; P56-L59 HydrophobicContact CB-CD1 4.41Å; P56-L59 VanDerWaalsContact O-CB 3.28Å; P56-L59 WeakPolarHBondContact O-CB 3.14Å; P56-L59 PolarHBondContact O-N 2.93Å
57	S	63.2	Low	66.9	Low	35 Å²	35	34.3 Å²	34.3	25%	0.245	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-63.2	-22.9	174.3	50.3	0	0	0	0	114	R55 L59	R55-S57 PolarHBondContact O-N 3.43Å; S57-L59 PolarHBondContact O-N 2.87Å
58	T	64	Low	65.9	Low	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-75.3	-11.4	173.6	67	0	0	0	0	112.7	L17 V54 R55 P56 P330	L17-T58 HydrophobicContact CB-CG2 3.49Å; L17-T58 VanDerWaalsContact CB-CG2 3.49Å; L17-T58 HydrophobicContact CD1-CG2 4.02Å; L17-T58 HydrophobicContact CD2-CG2 3.92Å; L17-T58 HydrophobicContact CG-CG2 3.97Å; L17-T58 WeakPolarHBondContact O-CG2 3.17Å; V54-T58 HydrophobicContact CG1-CG2 4.28Å; V54-T58 WeakPolarHBondContact CG1-OG1 3.25Å; R55-T58 HydrophobicContact CB-CG2 4.33Å; R55-T58 WeakPolarHBondContact O-CB 3.45Å; R55-T58 WeakPolarHBondContact O-CG2 3.19Å; R55-T58 PolarHBondContact O-N 2.72Å; R55-T58 PolarHBondContact O-OG1 3.39Å; P56-T58 PolarHBondContact O-N 2.75Å; T58-P330 WeakPolarHBondContact O-CD 3.38Å; T58-P330 VanDerWaalsContact O-CG 3.31Å; T58-P330 WeakPolarHBondContact O-CG 3.42Å
59	L	64.2	Low	65	Low	10 Å²	10	37.1 Å²	37.1	5%	0.052	19%	0.191	C	C	.	.	S	Bend	trans	-97.6	138.5	-177.3	-53.3	165.1	0	0	0	107.8	V54 P56 S57 E61 W63 Y64 M329	V54-L59 HydrophobicContact CG1-CD2 4.47Å; P56-L59 HydrophobicContact CB-CD1 4.41Å; P56-L59 VanDerWaalsContact O-CB 3.28Å; P56-L59 WeakPolarHBondContact O-CB 3.14Å; P56-L59 PolarHBondContact O-N 2.93Å; S57-L59 PolarHBondContact O-N 2.87Å; L59-E61 PolarHBondContact O-N 3.47Å; L59-W63 HydrophobicContact CB-CE3 3.75Å; L59-W63 HydrophobicContact CB-CZ3 4.36Å; L59-W63 HydrophobicContact CD1-CE3 3.41Å; L59-W63 VanDerWaalsContact CD1-CE3 3.41Å; L59-W63 HydrophobicContact CD1-CZ3 3.26Å; L59-W63 HydrophobicContact CD2-CD2 4.29Å; L59-W63 HydrophobicContact CD2-CE3 3.34Å; L59-W63 HydrophobicContact CD2-CH2 4.11Å; L59-W63 HydrophobicContact CD2-CZ3 3.22Å; L59-W63 HydrophobicContact CG-CE3 3.62Å; L59-W63 HydrophobicContact CG-CZ3 3.7Å; L59-Y64 HydrophobicContact CB-CD1 4.02Å; L59-Y64 VanDerWaalsContact O-CD1 3.26Å; L59-Y64 WeakPolarHBondContact O-CD1 3.31Å; L59-Y64 VanDerWaalsContact O-CE1 3.29Å; L59-Y64 WeakPolarHBondContact O-CE1 3.36Å; L59-M329 HydrophobicContact CD2-CE 3.56Å; L59-M329 HydrophobicContact CD2-CG 4.2Å
60	V	61.3	Low	64	Low	62 Å²	62	36.6 Å²	36.6	38%	0.376	20%	0.2	S	C	.	.			trans	-59.3	140.2	172.8	-176.6	0	0	0	0	108.9	V62 W63 Y64	V60-V62 HydrophobicContact CG1-CB 4.02Å; V60-V62 HydrophobicContact CG1-CG2 3.86Å; V60-V62 PolarHBondContact O-N 3.03Å; V60-W63 WeakPolarHBondContact O-CA 3.26Å; V60-W63 WeakPolarHBondContact O-CB 3.32Å; V60-W63 PolarHBondContact O-N 3.41Å; V60-Y64 VanDerWaalsContact O-CD1 3.23Å; V60-Y64 WeakPolarHBondContact O-CD1 3.35Å; V60-Y64 PolarHBondContact O-N 3.42Å
61	E	59.9	Low	62.6	Low	97 Å²	97	40.2 Å²	40.2	45%	0.453	21%	0.214	S	C	.	.	H	α-helix	trans	-48.6	-35.9	177.6	-55	-161.3	143	0	0	113.8	L59 W63 Y64 Q65 G66	L59-E61 PolarHBondContact O-N 3.47Å; E61-W63 PolarHBondContact O-N 3.46Å; E61-Y64 VanDerWaalsContact CA-CD1 3.47Å; E61-Y64 HydrophobicContact CB-CE1 3.92Å; E61-Y64 HydrophobicContact CG-CE1 3.77Å; E61-Y64 WeakPolarHBondContact CG-OH 3.5Å; E61-Y64 PolarHBondContact O-N 2.94Å; E61-Y64 PolarHBondContact OE1-OH 3.46Å; E61-Q65 WeakPolarHBondContact O-CA 3.17Å; E61-Q65 WeakPolarHBondContact O-CB 3.17Å; E61-Q65 PolarHBondContact O-N 2.88Å; E61-G66 PolarHBondContact O-N 2.93Å; E61-G66 VanDerWaalsContact O-N 3.16Å
62	V	60.1	Low	61.3	Low	33 Å²	33	42.3 Å²	42.3	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-39.2	173.8	-175.3	0	0	0	0	112.3	V60 G66 V301	V60-V62 HydrophobicContact CG1-CB 4.02Å; V60-V62 HydrophobicContact CG1-CG2 3.86Å; V60-V62 PolarHBondContact O-N 3.03Å; V62-G66 WeakPolarHBondContact O-CA 3.45Å; V62-G66 PolarHBondContact O-N 3.28Å; V62-G66 VanDerWaalsContact O-N 3.14Å; V62-V301 VanDerWaalsContact O-CG2 3.31Å; V62-V301 WeakPolarHBondContact O-CG2 3.45Å
63	W	61.4	Low	60.3	Low	32 Å²	32	43 Å²	43	12%	0.121	22%	0.224	C	C	.	.	H	α-helix	trans	-81.3	-37.2	-175.6	-160.9	75.9	0	0	0	112.3	E51 L59 V60 E61 V301 Q302 W305 V325	E51-W63 HydrophobicContact CG-CH2 4.07Å; L59-W63 HydrophobicContact CB-CE3 3.75Å; L59-W63 HydrophobicContact CB-CZ3 4.36Å; L59-W63 HydrophobicContact CD1-CE3 3.41Å; L59-W63 VanDerWaalsContact CD1-CE3 3.41Å; L59-W63 HydrophobicContact CD1-CZ3 3.26Å; L59-W63 HydrophobicContact CD2-CD2 4.29Å; L59-W63 HydrophobicContact CD2-CE3 3.34Å; L59-W63 HydrophobicContact CD2-CH2 4.11Å; L59-W63 HydrophobicContact CD2-CZ3 3.22Å; L59-W63 HydrophobicContact CG-CE3 3.62Å; L59-W63 HydrophobicContact CG-CZ3 3.7Å; V60-W63 WeakPolarHBondContact O-CA 3.26Å; V60-W63 WeakPolarHBondContact O-CB 3.32Å; V60-W63 PolarHBondContact O-N 3.41Å; E61-W63 PolarHBondContact O-N 3.46Å; W63-V301 VanDerWaalsContact CD1-CG1 3.49Å; W63-V301 HydrophobicContact CG-CG1 4.09Å; W63-V301 VanDerWaalsContact O-CB 3.31Å; W63-V301 WeakPolarHBondContact O-CB 3.42Å; W63-Q302 HydrophobicContact CZ3-CG 4.39Å; W63-Q302 WeakPolarHBondContact O-CB 3.45Å; W63-Q302 PolarHBondContact O-N 3.02Å; W63-W305 HydrophobicContact CZ2-CB 4.27Å; W63-W305 AromaticContact CZ2-CD1 3.47Å; W63-W305 VanDerWaalsContact CZ2-CD1 3.47Å; W63-W305 HydrophobicContact CZ2-CD2 4.05Å; W63-W305 AromaticContact CZ2-CG 3.65Å; W63-W305 HydrophobicContact CZ2-CG 3.65Å; W63-W305 AromaticContact CZ2-NE1 3.74Å; W63-V325 HydrophobicContact CH2-CG1 3.99Å; W63-V325 HydrophobicContact CZ2-CB 4.26Å; W63-V325 HydrophobicContact CZ2-CG1 3.62Å; W63-V325 HydrophobicContact CZ2-CG2 3.59Å
64	Y	61.9	Low	59.6	Low	55 Å²	55	50.3 Å²	50.3	22%	0.216	25%	0.251	C	S	.	.	H	α-helix	trans	-95	-32.2	-178	76	-94.9	0	0	0	114.3	L59 V60 E61	L59-Y64 HydrophobicContact CB-CD1 4.02Å; L59-Y64 VanDerWaalsContact O-CD1 3.26Å; L59-Y64 WeakPolarHBondContact O-CD1 3.31Å; L59-Y64 VanDerWaalsContact O-CE1 3.29Å; L59-Y64 WeakPolarHBondContact O-CE1 3.36Å; V60-Y64 VanDerWaalsContact O-CD1 3.23Å; V60-Y64 WeakPolarHBondContact O-CD1 3.35Å; V60-Y64 PolarHBondContact O-N 3.42Å; E61-Y64 VanDerWaalsContact CA-CD1 3.47Å; E61-Y64 HydrophobicContact CB-CE1 3.92Å; E61-Y64 HydrophobicContact CG-CE1 3.77Å; E61-Y64 WeakPolarHBondContact CG-OH 3.5Å; E61-Y64 PolarHBondContact O-N 2.94Å; E61-Y64 PolarHBondContact OE1-OH 3.46Å
65	Q	59.2	Low	59	Low	107 Å²	107	50.3 Å²	50.3	50%	0.5	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-19	177.7	-50.9	-164.4	-12.2	0	0	114.5	E61	E61-Q65 WeakPolarHBondContact O-CA 3.17Å; E61-Q65 WeakPolarHBondContact O-CB 3.17Å; E61-Q65 PolarHBondContact O-N 2.88Å
66	G	63.3	Low	58.8	Low	20 Å²	20	53.6 Å²	53.6	21%	0.206	27%	0.271	C	S	.	.	S	Bend	trans	-65.1	152.1	-177.4	0	0	0	0	0	112.5	E61 V62 T300 V301	E61-G66 PolarHBondContact O-N 2.93Å; E61-G66 VanDerWaalsContact O-N 3.16Å; V62-G66 WeakPolarHBondContact O-CA 3.45Å; V62-G66 PolarHBondContact O-N 3.28Å; V62-G66 VanDerWaalsContact O-N 3.14Å; G66-T300 CarbonylContact O-C 3.57Å; G66-T300 WeakPolarHBondContact O-CA 3.25Å; G66-V301 PolarHBondContact O-N 2.97Å
67	L	63.1	Low	58.7	Low	43 Å²	43	55.1 Å²	55.1	23%	0.225	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-67.5	130.1	170.9	-68.2	175.7	0	0	0	110.2	A286 R298 V301	L67-A286 HydrophobicContact CD1-CB 4.28Å; L67-A286 HydrophobicContact CD2-CB 3.85Å; L67-R298 HydrophobicContact CD2-CB 3.53Å; L67-R298 HydrophobicContact CD2-CG 4.36Å; L67-V301 WeakPolarHBondContact O-CG2 3.27Å
68	G	56.6	Low	58.8	Low	18 Å²	18	56.4 Å²	56.4	19%	0.186	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.8	133.6	-178.4	0	0	0	0	0	114	P299	G68-P299 PolarHBondContact N-O 2.86Å; G68-P299 VanDerWaalsContact N-O 3.13Å
69	Y	54.6	Low	58.7	Low	76 Å²	76	59.1 Å²	59.1	30%	0.298	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-77.8	133.7	163.2	-61.1	-85.7	0	0	0	108.7	W140 R142	Y69-W140 HydrophobicContact CD1-CB 3.92Å; Y69-W140 WeakPolarHBondContact CD1-O 3.23Å; Y69-W140 HydrophobicContact CD2-CB 4.03Å; Y69-W140 HydrophobicContact CG-CB 3.62Å; Y69-W140 HydrophobicContact CG-CG 4.43Å; Y69-R142 HydrophobicContact CD1-CB 4.42Å; Y69-R142 HydrophobicContact CD1-CG 3.43Å; Y69-R142 VanDerWaalsContact CD1-CG 3.43Å; Y69-R142 HydrophobicContact CE1-CG 3.55Å; Y69-R142 HydrophobicContact CG-CG 4.43Å
70	S	50	Low	58.5	Low	70 Å²	70	62.1 Å²	62.1	49%	0.49	33%	0.325	S	S	.	.			trans	-92.2	-21.4	-168.8	54.5	0	0	0	0	114.1	I141 H143	S70-I141 PolarHBondContact N-O 2.62Å; S70-I141 PolarHBondContact OG-O 3.31Å; S70-H143 WeakPolarHBondContact OG-CB 3.39Å; S70-H143 PolarHBondContact OG-N 3.47Å
71	R	48.5	Very low	58.9	Low	75 Å²	75	65 Å²	65	28%	0.283	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143.7	179.5	69.9	-177.3	-174	176.9	3.2	111.9	I141	R71-I141 HydrophobicContact CG-CB 3.97Å; R71-I141 PolarHBondContact N-O 2.76Å; R71-I141 PolarHBondContact O-N 2.72Å
72	L	46.5	Very low	59.2	Low	52 Å²	52	64.3 Å²	64.3	27%	0.272	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.7	165.9	-165.5	79	0	0	0	107.9	W138 W140 F320	L72-W138 HydrophobicContact CB-CE3 4.47Å; L72-W138 HydrophobicContact CD1-CB 4.18Å; L72-W138 HydrophobicContact CD2-CB 4.06Å; L72-W138 HydrophobicContact CD2-CD2 3.89Å; L72-W138 HydrophobicContact CD2-CE3 3.59Å; L72-W138 HydrophobicContact CD2-CG 4.12Å; L72-W138 HydrophobicContact CD2-CZ3 4.23Å; L72-W138 HydrophobicContact CG-CB 4.09Å; L72-W138 HydrophobicContact CG-CD2 4.31Å; L72-W138 HydrophobicContact CG-CE3 3.7Å; L72-W138 HydrophobicContact CG-CZ3 4.45Å; L72-W140 HydrophobicContact CB-CD2 4.43Å; L72-W140 HydrophobicContact CB-CE3 4.21Å; L72-W140 HydrophobicContact CB-CH2 4.27Å; L72-W140 HydrophobicContact CB-CZ2 4.48Å; L72-W140 HydrophobicContact CB-CZ3 4.13Å; L72-W140 HydrophobicContact CD1-CD2 3.58Å; L72-W140 HydrophobicContact CD1-CE3 4.22Å; L72-W140 HydrophobicContact CD1-CG 3.82Å; L72-W140 HydrophobicContact CD1-CH2 4.43Å; L72-W140 HydrophobicContact CD1-CZ2 3.83Å; L72-F320 HydrophobicContact CD2-CE1 4.28Å
73	W	49.8	Very low	59.3	Low	65 Å²	65	66.9 Å²	66.9	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.4	-178.3	177.8	84	0	0	0	110.3	Q75 D79 W138 I139 I141	W73-Q75 HydrophobicContact CE3-CB 3.97Å; W73-Q75 HydrophobicContact CH2-CB 4.17Å; W73-Q75 HydrophobicContact CH2-CG 4.06Å; W73-Q75 HydrophobicContact CZ3-CB 3.43Å; W73-Q75 VanDerWaalsContact CZ3-CB 3.43Å; W73-Q75 HydrophobicContact CZ3-CG 3.58Å; W73-Q75 PolarHBondContact O-N 3.34Å; W73-D79 HydrophobicContact CH2-CB 3.73Å; W73-D79 WeakPolarHBondContact CH2-OD2 3.31Å; W73-D79 VanDerWaalsContact CZ2-OD2 3.28Å; W73-D79 WeakPolarHBondContact CZ2-OD2 3.31Å; W73-D79 HydrophobicContact CZ3-CB 4.47Å; W73-W138 CarbonylContact O-C 3.58Å; W73-W138 WeakPolarHBondContact O-CA 3.35Å; W73-I139 HydrophobicContact CE3-CD1 3.6Å; W73-I139 HydrophobicContact CE3-CG1 3.55Å; W73-I139 HydrophobicContact CZ3-CD1 3.81Å; W73-I139 HydrophobicContact CZ3-CG1 4.15Å; W73-I139 PolarHBondContact N-O 3.32Å; W73-I139 PolarHBondContact O-N 3.47Å; W73-I141 HydrophobicContact CB-CD1 3.34Å; W73-I141 HydrophobicContact CB-CG1 3.91Å; W73-I141 HydrophobicContact CD2-CD1 3.82Å; W73-I141 HydrophobicContact CE3-CD1 4.01Å; W73-I141 HydrophobicContact CG-CD1 3.55Å
74	R	57	Low	59.6	Low	158 Å²	158	69.7 Å²	69.7	60%	0.596	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.4	177.8	-172.5	174.7	-176.9	177.1	-2.1	109.2	T76 W138	R74-T76 PolarHBondContact O-N 2.81Å; R74-W138 HydrophobicContact CB-CD2 3.88Å; R74-W138 HydrophobicContact CB-CE3 3.71Å; R74-W138 HydrophobicContact CB-CH2 3.91Å; R74-W138 HydrophobicContact CB-CZ2 4.02Å; R74-W138 HydrophobicContact CB-CZ3 3.75Å; R74-W138 HydrophobicContact CG-CD2 4.32Å; R74-W138 HydrophobicContact CG-CZ2 4.38Å
75	Q	60.3	Low	60.3	Low	5 Å²	5	70.1 Å²	70.1	2%	0.023	36%	0.361	C	S	.	.			trans	-69.9	121	169.8	-165.7	171.2	-0.1	0	0	109.8	W73 D79 R80 R83 G137	W73-Q75 HydrophobicContact CE3-CB 3.97Å; W73-Q75 HydrophobicContact CH2-CB 4.17Å; W73-Q75 HydrophobicContact CH2-CG 4.06Å; W73-Q75 HydrophobicContact CZ3-CB 3.43Å; W73-Q75 VanDerWaalsContact CZ3-CB 3.43Å; W73-Q75 HydrophobicContact CZ3-CG 3.58Å; W73-Q75 PolarHBondContact O-N 3.34Å; Q75-D79 HydrophobicContact CG-CB 3.57Å; Q75-D79 PolarHBondContact NE2-O 3.05Å; Q75-R80 HydrophobicContact CG-CG 3.91Å; Q75-R83 VanDerWaalsContact OE1-NH2 3.16Å; Q75-G137 WeakPolarHBondContact CA-O 3.35Å; Q75-G137 WeakPolarHBondContact CB-O 3.4Å; Q75-G137 PolarHBondContact N-O 3.49Å
76	T	64	Low	60.6	Low	69 Å²	69	70.3 Å²	70.3	42%	0.423	36%	0.362	S	S	.	.			trans	-75.9	166.3	173.2	69.9	0	0	0	0	110.7	R74 A78 D79 R80	R74-T76 PolarHBondContact O-N 2.81Å; T76-A78 VanDerWaalsContact C-N 3.27Å; T76-A78 PolarHBondContact O-N 2.81Å; T76-D79 VanDerWaalsContact CB-OD2 3.3Å; T76-D79 WeakPolarHBondContact CB-OD2 3.5Å; T76-D79 WeakPolarHBondContact CG2-OD2 3.41Å; T76-D79 PolarHBondContact N-OD2 2.78Å; T76-D79 PolarHBondContact O-N 3.25Å; T76-D79 PolarHBondContact OG1-N 2.79Å; T76-D79 VanDerWaalsContact OG1-N 3.13Å; T76-D79 PolarHBondContact OG1-OD2 2.88Å; T76-R80 PolarHBondContact O-N 3.42Å
77	A	64.3	Low	60.7	Low	75 Å²	75	74.6 Å²	74.6	62%	0.62	38%	0.375	S	S	*	.	H	α-helix	trans	-60.8	-39.4	173.6	0	0	0	0	0	111.6	D79 R80 E81	A77-D79 VanDerWaalsContact C-N 3.35Å; A77-D79 PolarHBondContact O-N 2.86Å; A77-R80 WeakPolarHBondContact O-CB 3.27Å; A77-R80 PolarHBondContact O-N 2.74Å; A77-R80 VanDerWaalsContact O-N 3.11Å; A77-E81 PolarHBondContact O-N 3.23Å
78	A	65.2	Low	61.3	Low	63 Å²	63	75 Å²	75	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-60.3	-42.9	174.7	0	0	0	0	0	111.8	T76 R80 E81 E82	T76-A78 VanDerWaalsContact C-N 3.27Å; T76-A78 PolarHBondContact O-N 2.81Å; A78-R80 PolarHBondContact O-N 2.86Å; A78-E81 PolarHBondContact O-N 3.47Å; A78-E82 WeakPolarHBondContact O-CB 3.41Å; A78-E82 PolarHBondContact O-N 2.8Å
79	D	61.8	Low	62.3	Low	56 Å²	56	82 Å²	82	30%	0.299	41%	0.406	S	S	.	.	H	α-helix	trans	-65.5	-26.3	176.8	-61	-50.3	0	0	0	113.2	W73 Q75 T76 A77 R83	W73-D79 HydrophobicContact CH2-CB 3.73Å; W73-D79 WeakPolarHBondContact CH2-OD2 3.31Å; W73-D79 VanDerWaalsContact CZ2-OD2 3.28Å; W73-D79 WeakPolarHBondContact CZ2-OD2 3.31Å; W73-D79 HydrophobicContact CZ3-CB 4.47Å; Q75-D79 HydrophobicContact CG-CB 3.57Å; Q75-D79 PolarHBondContact NE2-O 3.05Å; T76-D79 VanDerWaalsContact CB-OD2 3.3Å; T76-D79 WeakPolarHBondContact CB-OD2 3.5Å; T76-D79 WeakPolarHBondContact CG2-OD2 3.41Å; T76-D79 PolarHBondContact N-OD2 2.78Å; T76-D79 PolarHBondContact O-N 3.25Å; T76-D79 PolarHBondContact OG1-N 2.79Å; T76-D79 VanDerWaalsContact OG1-N 3.13Å; T76-D79 PolarHBondContact OG1-OD2 2.88Å; A77-D79 VanDerWaalsContact C-N 3.35Å; A77-D79 PolarHBondContact O-N 2.86Å; D79-R83 WeakPolarHBondContact O-CB 3.15Å; D79-R83 PolarHBondContact O-N 3.36Å
80	R	60.2	Low	63	Low	74 Å²	74	81 Å²	81	28%	0.279	41%	0.413	S	S	.	.	H	α-helix	trans	-74.9	-43.9	173.5	-68.3	-177.8	-175.8	146	-0.6	110.9	Q75 T76 A77 A78 R83 N84 G131 D132	Q75-R80 HydrophobicContact CG-CG 3.91Å; T76-R80 PolarHBondContact O-N 3.42Å; A77-R80 WeakPolarHBondContact O-CB 3.27Å; A77-R80 PolarHBondContact O-N 2.74Å; A77-R80 VanDerWaalsContact O-N 3.11Å; A78-R80 PolarHBondContact O-N 2.86Å; R80-R83 PolarHBondContact O-N 2.71Å; R80-N84 PolarHBondContact O-N 2.93Å; R80-G131 PolarHBondContact NE-O 3.27Å; R80-G131 PolarHBondContact NH2-O 3.35Å; R80-D132 WeakPolarHBondContact CD-OD1 2.93Å; R80-D132 IonicContact NE-OD1 3.41Å; R80-D132 PolarHBondContact NE-OD1 3.5Å
81	E	69.1	Low	64	Low	123 Å²	123	86.6 Å²	86.6	58%	0.575	42%	0.423	S	S	*	.	H	α-helix	trans	-62.2	-46.8	177.6	-168.1	175.2	177.6	0	0	111.1	A77 A78 R83 N84 N85	A77-E81 PolarHBondContact O-N 3.23Å; A78-E81 PolarHBondContact O-N 3.47Å; E81-R83 VanDerWaalsContact C-N 3.35Å; E81-R83 PolarHBondContact O-N 3.45Å; E81-N84 CarbonylContact O-C 3.57Å; E81-N84 WeakPolarHBondContact O-CA 3.1Å; E81-N84 WeakPolarHBondContact O-CB 3.46Å; E81-N84 PolarHBondContact O-N 3.45Å; E81-N85 VanDerWaalsContact O-CG 3.23Å; E81-N85 PolarHBondContact O-N 3.21Å
82	E	66.6	Low	65.2	Low	81 Å²	81	89.4 Å²	89.4	38%	0.379	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-42.2	177.5	-178.1	53.5	-147.5	0	0	112.1	A78 N84 N85 Q86	A78-E82 WeakPolarHBondContact O-CB 3.41Å; A78-E82 PolarHBondContact O-N 2.8Å; E82-N84 VanDerWaalsContact C-N 3.3Å; E82-N84 PolarHBondContact O-N 2.9Å; E82-N85 PolarHBondContact O-N 3.1Å; E82-Q86 WeakPolarHBondContact O-CG 3.49Å; E82-Q86 PolarHBondContact O-N 2.68Å; E82-Q86 WeakPolarHBondContact OE1-CG 3.25Å; E82-Q86 PolarHBondContact OE1-NE2 3.09Å
83	R	62.4	Low	66.4	Low	87 Å²	87	92.5 Å²	92.5	33%	0.328	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-37.7	174.4	-172.9	-175	-62.1	173	2.5	112.1	Q75 D79 R80 E81 K87	Q75-R83 VanDerWaalsContact OE1-NH2 3.16Å; D79-R83 WeakPolarHBondContact O-CB 3.15Å; D79-R83 PolarHBondContact O-N 3.36Å; R80-R83 PolarHBondContact O-N 2.71Å; E81-R83 VanDerWaalsContact C-N 3.35Å; E81-R83 PolarHBondContact O-N 3.45Å; R83-K87 VanDerWaalsContact O-CG 3.31Å; R83-K87 WeakPolarHBondContact O-CG 3.4Å; R83-K87 PolarHBondContact O-N 2.7Å
84	N	68.2	Low	67	Low	91 Å²	91	96.4 Å²	96.4	49%	0.487	47%	0.473	S	S	.	.	H	α-helix	trans	-70.6	-39.5	176.9	-73.5	-16.1	0	0	0	111.2	R80 E81 E82 K87 A88	R80-N84 PolarHBondContact O-N 2.93Å; E81-N84 CarbonylContact O-C 3.57Å; E81-N84 WeakPolarHBondContact O-CA 3.1Å; E81-N84 WeakPolarHBondContact O-CB 3.46Å; E81-N84 PolarHBondContact O-N 3.45Å; E82-N84 VanDerWaalsContact C-N 3.3Å; E82-N84 PolarHBondContact O-N 2.9Å; N84-K87 PolarHBondContact O-N 3.47Å; N84-A88 PolarHBondContact O-N 3.18Å
85	N	76	Confident	67.4	Low	65 Å²	65	92.9 Å²	92.9	35%	0.348	48%	0.478	S	S	.	.	H	α-helix	trans	-63.1	-44	175	-68.7	-15.4	0	0	0	111.8	E81 E82 K87 A88 R89	E81-N85 VanDerWaalsContact O-CG 3.23Å; E81-N85 PolarHBondContact O-N 3.21Å; E82-N85 PolarHBondContact O-N 3.1Å; N85-K87 VanDerWaalsContact C-N 3.33Å; N85-K87 PolarHBondContact O-N 2.86Å; N85-A88 PolarHBondContact O-N 3.28Å; N85-R89 WeakPolarHBondContact O-CG 3.31Å; N85-R89 PolarHBondContact O-N 3.45Å
86	Q	65.7	Low	67.7	Low	111 Å²	111	98.5 Å²	98.5	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-39.9	175.1	-72.4	174.3	15.4	0	0	112.2	E82 A90	E82-Q86 WeakPolarHBondContact O-CG 3.49Å; E82-Q86 PolarHBondContact O-N 2.68Å; E82-Q86 WeakPolarHBondContact OE1-CG 3.25Å; E82-Q86 PolarHBondContact OE1-NE2 3.09Å; Q86-A90 WeakPolarHBondContact O-CB 3.45Å; Q86-A90 PolarHBondContact O-N 3.04Å
87	K	65.9	Low	67.4	Low	109 Å²	109	100.4 Å²	100.4	47%	0.474	52%	0.515	S	S	.	.	H	α-helix	trans	-66.3	-36.8	174.2	-73.7	172.3	-178.8	175.4	0	112.3	R83 N84 N85 R91	R83-K87 VanDerWaalsContact O-CG 3.31Å; R83-K87 WeakPolarHBondContact O-CG 3.4Å; R83-K87 PolarHBondContact O-N 2.7Å; N84-K87 PolarHBondContact O-N 3.47Å; N85-K87 VanDerWaalsContact C-N 3.33Å; N85-K87 PolarHBondContact O-N 2.86Å; K87-R91 VanDerWaalsContact O-CG 3.31Å; K87-R91 WeakPolarHBondContact O-CG 3.08Å; K87-R91 PolarHBondContact O-N 3.44Å
88	A	74.5	Confident	67	Low	52 Å²	52	105.4 Å²	105.4	43%	0.43	53%	0.525	S	S	.	.	H	α-helix	trans	-67.1	-49.1	176.2	0	0	0	0	0	111	N84 N85 A90 R91 E92	N84-A88 PolarHBondContact O-N 3.18Å; N85-A88 PolarHBondContact O-N 3.28Å; A88-A90 VanDerWaalsContact C-N 3.33Å; A88-A90 PolarHBondContact O-N 2.71Å; A88-R91 WeakPolarHBondContact O-CB 3.13Å; A88-R91 PolarHBondContact O-N 3.14Å; A88-R91 VanDerWaalsContact O-N 3.07Å; A88-E92 PolarHBondContact O-N 3.11Å
89	R	76.9	Confident	66.5	Low	166 Å²	166	107.6 Å²	107.6	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-58.3	-41.9	175.3	-71.1	178.6	-177.8	173.8	2.9	112.6	N85 R91 E92 Q93	N85-R89 WeakPolarHBondContact O-CG 3.31Å; N85-R89 PolarHBondContact O-N 3.45Å; R89-R91 VanDerWaalsContact C-N 3.3Å; R89-R91 PolarHBondContact O-N 3.4Å; R89-E92 PolarHBondContact O-N 2.94Å; R89-Q93 WeakPolarHBondContact O-CB 3.07Å; R89-Q93 PolarHBondContact O-N 2.96Å
90	A	69.8	Low	66.1	Low	54 Å²	54	109.7 Å²	109.7	45%	0.446	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-33.1	176.7	0	0	0	0	0	112.9	Q86 A88 Q94	Q86-A90 WeakPolarHBondContact O-CB 3.45Å; Q86-A90 PolarHBondContact O-N 3.04Å; A88-A90 VanDerWaalsContact C-N 3.33Å; A88-A90 PolarHBondContact O-N 2.71Å; A90-Q94 WeakPolarHBondContact O-CB 3.27Å; A90-Q94 VanDerWaalsContact O-CG 3.31Å; A90-Q94 WeakPolarHBondContact O-CG 3.39Å; A90-Q94 PolarHBondContact O-N 3.04Å
91	R	71.7	Confident	65.9	Low	187 Å²	187	115.1 Å²	115.1	71%	0.706	57%	0.574	S	S	*	*	H	α-helix	trans	-73.8	-38.8	174.7	-74.3	173.3	179	-174.1	-0.9	112.2	K87 A88 R89 Q94 A95	K87-R91 VanDerWaalsContact O-CG 3.31Å; K87-R91 WeakPolarHBondContact O-CG 3.08Å; K87-R91 PolarHBondContact O-N 3.44Å; A88-R91 WeakPolarHBondContact O-CB 3.13Å; A88-R91 PolarHBondContact O-N 3.14Å; A88-R91 VanDerWaalsContact O-N 3.07Å; R89-R91 VanDerWaalsContact C-N 3.3Å; R89-R91 PolarHBondContact O-N 3.4Å; R91-Q94 PolarHBondContact O-N 2.85Å; R91-A95 PolarHBondContact O-N 3.27Å; R91-A95 VanDerWaalsContact O-N 3.12Å
92	E	73.7	Confident	64.7	Low	134 Å²	134	116.4 Å²	116.4	63%	0.626	59%	0.585	S	S	*	*	H	α-helix	trans	-67.5	-42.6	177.2	-168.8	173.6	-167.9	0	0	111.3	A88 R89 Q94 A95 L96	A88-E92 PolarHBondContact O-N 3.11Å; R89-E92 PolarHBondContact O-N 2.94Å; E92-Q94 VanDerWaalsContact C-N 3.34Å; E92-Q94 PolarHBondContact O-N 3.39Å; E92-A95 WeakPolarHBondContact O-CB 3.11Å; E92-A95 PolarHBondContact O-N 2.93Å; E92-L96 PolarHBondContact O-N 3.12Å
93	Q	70.4	Confident	63.2	Low	117 Å²	117	114.3 Å²	114.3	55%	0.547	58%	0.582	S	S	.	*	H	α-helix	trans	-61.1	-42.6	173.2	-165	69.2	43.2	0	0	111.8	R89 A95 L96 D97	R89-Q93 WeakPolarHBondContact O-CB 3.07Å; R89-Q93 PolarHBondContact O-N 2.96Å; Q93-A95 PolarHBondContact O-N 3.45Å; Q93-L96 PolarHBondContact O-N 3.43Å; Q93-D97 PolarHBondContact O-N 3.1Å
94	Q	63	Low	61.8	Low	148 Å²	148	116.8 Å²	116.8	69%	0.692	61%	0.606	S	S	*	*	H	α-helix	trans	-64.7	-21.2	174.5	-82.4	-179.7	-9.7	0	0	113.9	A90 R91 E92	A90-Q94 WeakPolarHBondContact O-CB 3.27Å; A90-Q94 VanDerWaalsContact O-CG 3.31Å; A90-Q94 WeakPolarHBondContact O-CG 3.39Å; A90-Q94 PolarHBondContact O-N 3.04Å; R91-Q94 PolarHBondContact O-N 2.85Å; E92-Q94 VanDerWaalsContact C-N 3.34Å; E92-Q94 PolarHBondContact O-N 3.39Å
95	A	66.2	Low	60.2	Low	83 Å²	83	120.6 Å²	120.6	69%	0.686	62%	0.619	S	S	*	*	H	α-helix	trans	-87.1	-19.6	178.2	0	0	0	0	0	113.1	R91 E92 Q93	R91-A95 PolarHBondContact O-N 3.27Å; R91-A95 VanDerWaalsContact O-N 3.12Å; E92-A95 WeakPolarHBondContact O-CB 3.11Å; E92-A95 PolarHBondContact O-N 2.93Å; Q93-A95 PolarHBondContact O-N 3.45Å
96	L	65.4	Low	57.9	Low	124 Å²	124	120.9 Å²	120.9	65%	0.649	63%	0.63	S	S	*	*	H	α-helix	trans	-86.7	-20.6	177.9	-74.8	163.3	0	0	0	113.2	E92 Q93 E98	E92-L96 PolarHBondContact O-N 3.12Å; Q93-L96 PolarHBondContact O-N 3.43Å; L96-E98 PolarHBondContact O-N 2.98Å
97	D	57.7	Low	56.3	Low	109 Å²	109	125.3 Å²	125.3	58%	0.583	65%	0.648	S	S	*	*	S	Bend	trans	-71.2	112.4	174.1	-69.1	-24.8	0	0	0	109	Q93	Q93-D97 PolarHBondContact O-N 3.1Å
98	E	57.1	Low	54.6	Low	179 Å²	179	129.1 Å²	129.1	84%	0.836	66%	0.66	S	S	*	*			trans	-52.9	139.1	175.9	-83.2	-170.5	157.1	0	0	110.7	L96 N100	L96-E98 PolarHBondContact O-N 2.98Å; E98-N100 PolarHBondContact O-N 2.92Å
99	P	53.5	Low	52.8	Low	110 Å²	110	130.6 Å²	130.6	71%	0.714	66%	0.664	S	S	*	*			trans	-64.7	102.1	179.6	27.6	-33	0	0	0	108.9	E101	P99-E101 PolarHBondContact O-N 3.33Å
100	N	53.5	Low	50.9	Low	99 Å²	99	127 Å²	127	53%	0.529	66%	0.661	S	S	.	*			trans	-67.8	101.3	173	-173.6	-4.3	0	0	0	108.1	E98 N102 A103	E98-N100 PolarHBondContact O-N 2.92Å; N100-N102 PolarHBondContact O-N 3Å; N100-N102 VanDerWaalsContact O-N 3.08Å; N100-N102 PolarHBondContact OD1-N 3.24Å; N100-A103 HydrophobicContact CB-CB 3.79Å; N100-A103 WeakPolarHBondContact O-CB 3.16Å; N100-A103 PolarHBondContact O-N 3.4Å
101	E	55.8	Low	49.3	Very low	188 Å²	188	131.9 Å²	131.9	88%	0.879	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-18.4	-178.2	-63.7	-173.5	156.2	0	0	112.8	P99	P99-E101 PolarHBondContact O-N 3.33Å
102	N	44.5	Very low	47.8	Very low	151 Å²	151	130 Å²	130	81%	0.807	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-0.1	175.1	-65.7	-30.6	0	0	0	113.7	N100 V104	N100-N102 PolarHBondContact O-N 3Å; N100-N102 VanDerWaalsContact O-N 3.08Å; N100-N102 PolarHBondContact OD1-N 3.24Å; N102-V104 PolarHBondContact O-N 3.13Å
103	A	34.8	Very low	46.3	Very low	37 Å²	37	125.3 Å²	125.3	31%	0.306	67%	0.67	S	S	.	*			trans	-85.6	103.9	177	0	0	0	0	0	110.7	N100 F105	N100-A103 HydrophobicContact CB-CB 3.79Å; N100-A103 WeakPolarHBondContact O-CB 3.16Å; N100-A103 PolarHBondContact O-N 3.4Å; A103-F105 HydrophobicContact CB-CE2 4.28Å; A103-F105 WeakPolarHBondContact O-CD2 3.22Å; A103-F105 PolarHBondContact O-N 3.22Å
104	V	34.2	Very low	45.2	Very low	139 Å²	139	123.9 Å²	123.9	84%	0.842	68%	0.678	S	S	*	*			trans	-66.7	100.6	163.1	180	0	0	0	0	107.9	N102 A106	N102-V104 PolarHBondContact O-N 3.13Å; V104-A106 PolarHBondContact O-N 3.43Å
105	F	34.6	Very low	44.6	Very low	170 Å²	170	118.6 Å²	118.6	75%	0.746	66%	0.657	S	S	*	*			trans	-69	86.4	168.2	-69.1	-83.6	0	0	0	109	A103 K107	A103-F105 HydrophobicContact CB-CE2 4.28Å; A103-F105 WeakPolarHBondContact O-CD2 3.22Å; A103-F105 PolarHBondContact O-N 3.22Å; F105-K107 VanDerWaalsContact C-N 3.34Å; F105-K107 PolarHBondContact O-N 3.49Å
106	A	27.6	Very low	44.1	Very low	71 Å²	71	122.2 Å²	122.2	59%	0.587	66%	0.657	S	S	*	*			trans	-62.4	102.1	159.7	0	0	0	0	0	107	V104 Y108	V104-A106 PolarHBondContact O-N 3.43Å; A106-Y108 WeakPolarHBondContact O-CD1 3.46Å; A106-Y108 PolarHBondContact O-N 2.88Å
107	K	31.6	Very low	43.6	Very low	205 Å²	205	121.3 Å²	121.3	89%	0.891	65%	0.649	S	S	*	*			trans	-65	80.3	165.1	-78.3	177	-178.5	163.2	0	107.5	F105 T109	F105-K107 VanDerWaalsContact C-N 3.34Å; F105-K107 PolarHBondContact O-N 3.49Å; K107-T109 PolarHBondContact O-N 3.38Å
108	Y	29.9	Very low	43.4	Very low	188 Å²	188	121 Å²	121	74%	0.737	64%	0.644	S	S	*	*			trans	-63.6	122.4	162.2	50.3	-88.6	0	0	0	106.3	A106 V110	A106-Y108 WeakPolarHBondContact O-CD1 3.46Å; A106-Y108 PolarHBondContact O-N 2.88Å; Y108-V110 VanDerWaalsContact C-N 3.35Å; Y108-V110 HydrophobicContact CD2-CG2 4.17Å; Y108-V110 HydrophobicContact CE2-CG2 4.05Å; Y108-V110 PolarHBondContact O-N 2.76Å
109	T	36.8	Very low	43.1	Very low	84 Å²	84	115.7 Å²	115.7	52%	0.515	62%	0.621	S	S	.	*			trans	-55.1	108	162.9	28.2	0	0	0	0	105.8	K107 L111	K107-T109 PolarHBondContact O-N 3.38Å; T109-L111 VanDerWaalsContact C-N 3.33Å; T109-L111 PolarHBondContact O-N 3.49Å
110	V	36.5	Very low	43	Very low	90 Å²	90	112.2 Å²	112.2	55%	0.545	59%	0.594	S	S	.	*			trans	-56.7	106.6	174.7	-176.3	0	0	0	0	104.9	Y108 N112 G113	Y108-V110 VanDerWaalsContact C-N 3.35Å; Y108-V110 HydrophobicContact CD2-CG2 4.17Å; Y108-V110 HydrophobicContact CE2-CG2 4.05Å; Y108-V110 PolarHBondContact O-N 2.76Å; V110-N112 PolarHBondContact O-N 3.37Å; V110-G113 PolarHBondContact O-N 3.06Å
111	L	36.5	Very low	43	Very low	157 Å²	157	112.9 Å²	112.9	82%	0.822	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	4.3	-173.5	-103.9	133.6	0	0	0	113.3	T109	T109-L111 VanDerWaalsContact C-N 3.33Å; T109-L111 PolarHBondContact O-N 3.49Å
112	N	39.7	Very low	42.7	Very low	146 Å²	146	108.3 Å²	108.3	78%	0.781	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.3	22.2	170.4	-68.4	-58.2	0	0	0	112.7	V110	V110-N112 PolarHBondContact O-N 3.37Å
113	G	42.3	Very low	42.9	Very low	36 Å²	36	104 Å²	104	37%	0.371	55%	0.547	S	S	.	.	S	Bend	trans	-74.8	157.1	178.4	0	0	0	0	0	111.8	V110	V110-G113 PolarHBondContact O-N 3.06Å
114	A	47.1	Very low	43.5	Very low	88 Å²	88	109.8 Å²	109.8	73%	0.727	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-55.5	130.7	172.5	0	0	0	0	0	109.3	K116	A114-K116 PolarHBondContact O-N 3.46Å
115	P	51.4	Low	44	Very low	36 Å²	36	104.4 Å²	104.4	23%	0.234	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-53.4	142.3	178.2	-16.1	19.7	0	0	0	110.4	H117 I119 W120 I129	P115-H117 PolarHBondContact O-N 3.36Å; P115-I119 HydrophobicContact CB-CB 4.43Å; P115-I119 HydrophobicContact CB-CG2 4.38Å; P115-W120 PolarHBondContact O-NE1 3.19Å; P115-I129 HydrophobicContact CB-CD1 4.44Å; P115-I129 HydrophobicContact CG-CD1 4.19Å
116	K	55.3	Low	44.6	Very low	159 Å²	159	100.6 Å²	100.6	69%	0.691	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-51.9	139.7	178	-71.4	-177.7	175.9	175.3	0	110.1	A114 Q118 I119 W120	A114-K116 PolarHBondContact O-N 3.46Å; K116-Q118 CarbonylContact O-C 3.55Å; K116-Q118 PolarHBondContact O-N 2.65Å; K116-I119 HydrophobicContact CB-CD1 3.76Å; K116-I119 HydrophobicContact CB-CG1 3.98Å; K116-I119 HydrophobicContact CD-CD1 4.34Å; K116-I119 HydrophobicContact CG-CD1 4.17Å; K116-I119 WeakPolarHBondContact O-CA 3.34Å; K116-I119 WeakPolarHBondContact O-CB 3.38Å; K116-I119 PolarHBondContact O-N 3.45Å; K116-W120 VanDerWaalsContact C-CD1 3.46Å; K116-W120 PolarHBondContact O-N 3.11Å; K116-W120 PolarHBondContact O-NE1 3.06Å
117	H	55.9	Low	45.4	Very low	106 Å²	106	102.2 Å²	102.2	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-39.1	-41.3	-179.6	-173.9	-96.8	0	0	0	114.7	P115 W120 K121	P115-H117 PolarHBondContact O-N 3.36Å; H117-W120 HydrophobicContact CB-CZ2 4.36Å; H117-W120 AromaticContact CD2-CE2 3.98Å; H117-W120 AromaticContact CD2-CH2 3.62Å; H117-W120 AromaticContact CD2-CZ2 3.23Å; H117-W120 WeakPolarHBondContact CD2-CZ2 3.49Å; H117-W120 AromaticContact CG-CZ2 4Å; H117-W120 AromaticContact NE2-CH2 3.96Å; H117-K121 VanDerWaalsContact CE1-CD 3.47Å; H117-K121 WeakPolarHBondContact CE1-CD 3.4Å; H117-K121 WeakPolarHBondContact CE1-CE 3.45Å; H117-K121 PolarHBondContact CE1-NZ 3.47Å; H117-K121 VanDerWaalsContact NE2-CE 3.32Å; H117-K121 WeakPolarHBondContact NE2-CE 3.48Å; H117-K121 WeakPolarHBondContact O-CB 3.35Å; H117-K121 PolarHBondContact O-N 3.23Å
118	Q	53	Low	46	Very low	102 Å²	102	97.7 Å²	97.7	48%	0.477	49%	0.487	S	S	.	.	H	α-helix	trans	-71.8	-38.2	177.8	-83	152.1	3.6	0	0	113.7	K116 W120 L122 R375	K116-Q118 CarbonylContact O-C 3.55Å; K116-Q118 PolarHBondContact O-N 2.65Å; Q118-W120 PolarHBondContact O-N 3.41Å; Q118-L122 HydrophobicContact CB-CD1 4.33Å; Q118-L122 VanDerWaalsContact O-CB 3.25Å; Q118-L122 WeakPolarHBondContact O-CB 3.38Å; Q118-L122 WeakPolarHBondContact O-CD1 3.34Å; Q118-L122 PolarHBondContact O-N 3.21Å; Q118-R375 VanDerWaalsContact OE1-NH1 3.11Å
119	I	50.1	Low	46.6	Very low	68 Å²	68	90.8 Å²	90.8	35%	0.349	46%	0.462	S	S	.	.	H	α-helix	trans	-63.3	-43.4	-175.9	-61.4	173	0	0	0	110.9	P115 K116 K123	P115-I119 HydrophobicContact CB-CB 4.43Å; P115-I119 HydrophobicContact CB-CG2 4.38Å; K116-I119 HydrophobicContact CB-CD1 3.76Å; K116-I119 HydrophobicContact CB-CG1 3.98Å; K116-I119 HydrophobicContact CD-CD1 4.34Å; K116-I119 HydrophobicContact CG-CD1 4.17Å; K116-I119 WeakPolarHBondContact O-CA 3.34Å; K116-I119 WeakPolarHBondContact O-CB 3.38Å; K116-I119 PolarHBondContact O-N 3.45Å; I119-K123 HydrophobicContact CG2-CD 3.96Å; I119-K123 WeakPolarHBondContact O-CB 3.3Å; I119-K123 WeakPolarHBondContact O-CG 3.47Å; I119-K123 PolarHBondContact O-N 2.97Å; I119-K123 VanDerWaalsContact O-N 3.1Å
120	W	52.6	Low	46.9	Very low	36 Å²	36	88.3 Å²	88.3	14%	0.136	45%	0.448	C	S	.	.	H	α-helix	trans	-85.5	-28.9	-177.5	53.7	-92.8	0	0	0	114.6	P115 K116 H117 Q118 H124 E125 Q126 I129	P115-W120 PolarHBondContact O-NE1 3.19Å; K116-W120 VanDerWaalsContact C-CD1 3.46Å; K116-W120 PolarHBondContact O-N 3.11Å; K116-W120 PolarHBondContact O-NE1 3.06Å; H117-W120 HydrophobicContact CB-CZ2 4.36Å; H117-W120 AromaticContact CD2-CE2 3.98Å; H117-W120 AromaticContact CD2-CH2 3.62Å; H117-W120 AromaticContact CD2-CZ2 3.23Å; H117-W120 WeakPolarHBondContact CD2-CZ2 3.49Å; H117-W120 AromaticContact CG-CZ2 4Å; H117-W120 AromaticContact NE2-CH2 3.96Å; Q118-W120 PolarHBondContact O-N 3.41Å; W120-H124 PolarHBondContact O-N 3.44Å; W120-E125 HydrophobicContact CB-CB 4.1Å; W120-E125 PolarHBondContact O-N 2.99Å; W120-E125 VanDerWaalsContact O-N 3.12Å; W120-Q126 HydrophobicContact CE3-CB 4.49Å; W120-Q126 HydrophobicContact CE3-CG 3.96Å; W120-Q126 HydrophobicContact CZ3-CG 4.31Å; W120-Q126 PolarHBondContact O-N 2.77Å; W120-I129 HydrophobicContact CB-CD1 3.8Å; W120-I129 HydrophobicContact CD2-CB 4.43Å; W120-I129 HydrophobicContact CD2-CD1 3.43Å; W120-I129 VanDerWaalsContact CD2-CD1 3.43Å; W120-I129 HydrophobicContact CD2-CG1 4.46Å; W120-I129 HydrophobicContact CE3-CD1 4.3Å; W120-I129 HydrophobicContact CG-CD1 3.2Å; W120-I129 HydrophobicContact CG-CG1 4.39Å; W120-I129 HydrophobicContact CH2-CG2 4.17Å; W120-I129 HydrophobicContact CZ2-CD1 4.12Å; W120-I129 HydrophobicContact CZ2-CG2 3.94Å
121	K	53	Low	47.1	Very low	113 Å²	113	84.2 Å²	84.2	49%	0.491	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-42.5	169.6	-88.7	-163.3	174.9	-174.6	0	111.7	H117	H117-K121 VanDerWaalsContact CE1-CD 3.47Å; H117-K121 WeakPolarHBondContact CE1-CD 3.4Å; H117-K121 WeakPolarHBondContact CE1-CE 3.45Å; H117-K121 PolarHBondContact CE1-NZ 3.47Å; H117-K121 VanDerWaalsContact NE2-CE 3.32Å; H117-K121 WeakPolarHBondContact NE2-CE 3.48Å; H117-K121 WeakPolarHBondContact O-CB 3.35Å; H117-K121 PolarHBondContact O-N 3.23Å
122	L	48.9	Very low	47.4	Very low	92 Å²	92	81.5 Å²	81.5	48%	0.482	41%	0.41	S	S	.	.	H	α-helix	trans	-77	-30.9	-179.1	-89.7	140.7	0	0	0	113.1	Q118 R338	Q118-L122 HydrophobicContact CB-CD1 4.33Å; Q118-L122 VanDerWaalsContact O-CB 3.25Å; Q118-L122 WeakPolarHBondContact O-CB 3.38Å; Q118-L122 WeakPolarHBondContact O-CD1 3.34Å; Q118-L122 PolarHBondContact O-N 3.21Å; L122-R338 PolarHBondContact O-NH1 3.31Å; L122-R338 PolarHBondContact O-NH2 3.34Å
123	K	49.1	Very low	47.6	Very low	61 Å²	61	76.6 Å²	76.6	27%	0.265	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.5	-178.2	-71.8	-174.1	179.4	-174.4	0	114.3	I119 E125 R338	I119-K123 HydrophobicContact CG2-CD 3.96Å; I119-K123 WeakPolarHBondContact O-CB 3.3Å; I119-K123 WeakPolarHBondContact O-CG 3.47Å; I119-K123 PolarHBondContact O-N 2.97Å; I119-K123 VanDerWaalsContact O-N 3.1Å; K123-E125 HydrophobicContact CB-CB 4.04Å; K123-E125 HydrophobicContact CB-CG 3.71Å; K123-E125 HydrophobicContact CD-CG 4.39Å; K123-E125 VanDerWaalsContact CD-OE1 3.25Å; K123-E125 WeakPolarHBondContact CD-OE1 3.03Å; K123-E125 PolarHBondContact O-N 3.47Å; K123-R338 HydrophobicContact CG-CG 4.34Å; K123-R338 VanDerWaalsContact N-NH1 3.19Å; K123-R338 PolarHBondContact NZ-O 3.21Å
124	H	46.6	Very low	47.6	Very low	158 Å²	158	84.8 Å²	84.8	73%	0.731	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	21.1	-165.9	-57.5	89.2	0	0	0	112.5	W120 Q126	W120-H124 PolarHBondContact O-N 3.44Å; H124-Q126 PolarHBondContact O-N 2.92Å; H124-Q126 VanDerWaalsContact O-N 3.11Å
125	E	46.6	Very low	47.4	Very low	27 Å²	27	83.6 Å²	83.6	13%	0.126	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-80.4	21	173.7	-77.6	-178.2	-164.8	0	0	111	W120 K123 Y127 R128	W120-E125 HydrophobicContact CB-CB 4.1Å; W120-E125 PolarHBondContact O-N 2.99Å; W120-E125 VanDerWaalsContact O-N 3.12Å; K123-E125 HydrophobicContact CB-CB 4.04Å; K123-E125 HydrophobicContact CB-CG 3.71Å; K123-E125 HydrophobicContact CD-CG 4.39Å; K123-E125 VanDerWaalsContact CD-OE1 3.25Å; K123-E125 WeakPolarHBondContact CD-OE1 3.03Å; K123-E125 PolarHBondContact O-N 3.47Å; E125-Y127 HydrophobicContact CB-CE1 4.28Å; E125-Y127 HydrophobicContact CG-CE1 4.12Å; E125-Y127 PolarHBondContact O-N 2.94Å; E125-Y127 VanDerWaalsContact O-N 3.14Å; E125-R128 HydrophobicContact CB-CG 4.43Å; E125-R128 VanDerWaalsContact CD-NH1 3.28Å; E125-R128 WeakPolarHBondContact O-CB 3.41Å; E125-R128 PolarHBondContact O-N 2.94Å; E125-R128 IonicContact OE1-CZ 3.92Å; E125-R128 IonicContact OE1-NH1 3.44Å; E125-R128 PolarHBondContact OE1-NH1 3.29Å; E125-R128 WeakPolarHBondContact OE2-CD 3.37Å; E125-R128 IonicContact OE2-CZ 3.44Å; E125-R128 IonicContact OE2-NE 3.64Å; E125-R128 IonicContact OE2-NH1 2.71Å; E125-R128 PolarHBondContact OE2-NH1 3.26Å
126	Q	46.6	Very low	47.4	Very low	90 Å²	90	84.2 Å²	84.2	42%	0.421	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-50.4	-38.3	173.4	-68.5	-175.8	3.3	0	0	110.1	W120 H124 R128 I129 S130	W120-Q126 HydrophobicContact CE3-CB 4.49Å; W120-Q126 HydrophobicContact CE3-CG 3.96Å; W120-Q126 HydrophobicContact CZ3-CG 4.31Å; W120-Q126 PolarHBondContact O-N 2.77Å; H124-Q126 PolarHBondContact O-N 2.92Å; H124-Q126 VanDerWaalsContact O-N 3.11Å; Q126-R128 PolarHBondContact O-N 2.84Å; Q126-I129 CarbonylContact O-C 3.59Å; Q126-I129 PolarHBondContact O-N 3.15Å; Q126-S130 WeakPolarHBondContact O-CA 3.48Å; Q126-S130 WeakPolarHBondContact O-CB 3.22Å; Q126-S130 PolarHBondContact O-N 3.47Å; Q126-S130 PolarHBondContact O-OG 2.74Å; Q126-S130 VanDerWaalsContact O-OG 3.1Å
127	Y	43.3	Very low	47.1	Very low	104 Å²	104	76.7 Å²	76.7	41%	0.408	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-55.8	-20.5	177.2	75.9	-90.8	0	0	0	115.4	E125 I129	E125-Y127 HydrophobicContact CB-CE1 4.28Å; E125-Y127 HydrophobicContact CG-CE1 4.12Å; E125-Y127 PolarHBondContact O-N 2.94Å; E125-Y127 VanDerWaalsContact O-N 3.14Å; Y127-I129 VanDerWaalsContact C-N 3.26Å
128	R	44.2	Very low	46.6	Very low	111 Å²	111	76.6 Å²	76.6	42%	0.419	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-75.9	-15.4	175.4	-67.5	-177.4	165.5	-176.3	-16	113	E125 Q126	E125-R128 HydrophobicContact CB-CG 4.43Å; E125-R128 VanDerWaalsContact CD-NH1 3.28Å; E125-R128 WeakPolarHBondContact O-CB 3.41Å; E125-R128 PolarHBondContact O-N 2.94Å; E125-R128 IonicContact OE1-CZ 3.92Å; E125-R128 IonicContact OE1-NH1 3.44Å; E125-R128 PolarHBondContact OE1-NH1 3.29Å; E125-R128 WeakPolarHBondContact OE2-CD 3.37Å; E125-R128 IonicContact OE2-CZ 3.44Å; E125-R128 IonicContact OE2-NE 3.64Å; E125-R128 IonicContact OE2-NH1 2.71Å; E125-R128 PolarHBondContact OE2-NH1 3.26Å; Q126-R128 PolarHBondContact O-N 2.84Å
129	I	43.8	Very low	46.3	Very low	43 Å²	43	73.3 Å²	73.3	22%	0.221	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-27.7	-170.9	-60.5	176.4	0	0	0	110.8	P115 W120 Q126 Y127 G131	P115-I129 HydrophobicContact CB-CD1 4.44Å; P115-I129 HydrophobicContact CG-CD1 4.19Å; W120-I129 HydrophobicContact CB-CD1 3.8Å; W120-I129 HydrophobicContact CD2-CB 4.43Å; W120-I129 HydrophobicContact CD2-CD1 3.43Å; W120-I129 VanDerWaalsContact CD2-CD1 3.43Å; W120-I129 HydrophobicContact CD2-CG1 4.46Å; W120-I129 HydrophobicContact CE3-CD1 4.3Å; W120-I129 HydrophobicContact CG-CD1 3.2Å; W120-I129 HydrophobicContact CG-CG1 4.39Å; W120-I129 HydrophobicContact CH2-CG2 4.17Å; W120-I129 HydrophobicContact CZ2-CD1 4.12Å; W120-I129 HydrophobicContact CZ2-CG2 3.94Å; Q126-I129 CarbonylContact O-C 3.59Å; Q126-I129 PolarHBondContact O-N 3.15Å; Y127-I129 VanDerWaalsContact C-N 3.26Å; I129-G131 PolarHBondContact O-N 3Å
130	S	43.1	Very low	46.1	Very low	32 Å²	32	74.4 Å²	74.4	22%	0.224	37%	0.365	C	S	.	.			trans	-86.9	82.7	176.5	-60.8	0	0	0	0	110.4	Q126 D132	Q126-S130 WeakPolarHBondContact O-CA 3.48Å; Q126-S130 WeakPolarHBondContact O-CB 3.22Å; Q126-S130 PolarHBondContact O-N 3.47Å; Q126-S130 PolarHBondContact O-OG 2.74Å; Q126-S130 VanDerWaalsContact O-OG 3.1Å; S130-D132 VanDerWaalsContact CA-N 3.32Å; S130-D132 PolarHBondContact O-N 2.78Å
131	G	40.1	Very low	45.8	Very low	4 Å²	4	74.1 Å²	74.1	4%	0.041	37%	0.365	C	S	.	.	S	Bend	trans	-69.2	3.2	136.3	0	0	0	0	0	112.2	R80 I129	R80-G131 PolarHBondContact NE-O 3.27Å; R80-G131 PolarHBondContact NH2-O 3.35Å; I129-G131 PolarHBondContact O-N 3Å
132	D	42.8	Very low	45.3	Very low	99 Å²	99	74.6 Å²	74.6	53%	0.529	36%	0.364	S	S	.	.	S	Bend	trans	-112.3	75.9	-177.8	-58	-29.7	0	0	0	109.3	R80 S130	R80-D132 WeakPolarHBondContact CD-OD1 2.93Å; R80-D132 IonicContact NE-OD1 3.41Å; R80-D132 PolarHBondContact NE-OD1 3.5Å; S130-D132 VanDerWaalsContact CA-N 3.32Å; S130-D132 PolarHBondContact O-N 2.78Å
133	G	44.5	Very low	44.9	Very low	43 Å²	43	75.4 Å²	75.4	44%	0.443	37%	0.365	S	S	.	.	S	Bend	trans	147	142.1	172.2	0	0	0	0	0	116	L135	G133-L135 PolarHBondContact O-N 2.87Å
134	H	41	Very low	44.1	Very low	209 Å²	209	75.2 Å²	75.2	97%	0.968	38%	0.375	S	S	*	.	S	Bend	trans	46.4	-25.3	178.6	-55.4	-59	0	0	0	120.3
135	L	43.7	Very low	43.3	Very low	63 Å²	63	73.2 Å²	73.2	33%	0.33	37%	0.373	S	S	.	.	S	Bend	trans	-109.7	26.3	178.7	-76.8	164.5	0	0	0	112.4	G133 G137 W138 F320	G133-L135 PolarHBondContact O-N 2.87Å; L135-G137 PolarHBondContact O-N 3.34Å; L135-W138 PolarHBondContact O-N 2.92Å; L135-F320 HydrophobicContact CD2-CE2 4.3Å; L135-F320 HydrophobicContact CD2-CZ 3.83Å
136	G	51.7	Low	42.4	Very low	49 Å²	49	77.9 Å²	77.9	51%	0.505	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	22.9	163.1	0	0	0	0	0	117.7
137	G	48.4	Very low	41.4	Very low	1 Å²	1	78.2 Å²	78.2	1%	0.01	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	1.2	-176.9	0	0	0	0	0	115.5	Q75 L135 I139	Q75-G137 WeakPolarHBondContact CA-O 3.35Å; Q75-G137 WeakPolarHBondContact CB-O 3.4Å; Q75-G137 PolarHBondContact N-O 3.49Å; L135-G137 PolarHBondContact O-N 3.34Å; G137-I139 PolarHBondContact O-N 2.92Å
138	W	45.1	Very low	40.7	Very low	103 Å²	103	81 Å²	81	39%	0.39	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.1	175.6	-64.8	103.1	0	0	0	111.5	L72 W73 R74 L135	L72-W138 HydrophobicContact CB-CE3 4.47Å; L72-W138 HydrophobicContact CD1-CB 4.18Å; L72-W138 HydrophobicContact CD2-CB 4.06Å; L72-W138 HydrophobicContact CD2-CD2 3.89Å; L72-W138 HydrophobicContact CD2-CE3 3.59Å; L72-W138 HydrophobicContact CD2-CG 4.12Å; L72-W138 HydrophobicContact CD2-CZ3 4.23Å; L72-W138 HydrophobicContact CG-CB 4.09Å; L72-W138 HydrophobicContact CG-CD2 4.31Å; L72-W138 HydrophobicContact CG-CE3 3.7Å; L72-W138 HydrophobicContact CG-CZ3 4.45Å; W73-W138 CarbonylContact O-C 3.58Å; W73-W138 WeakPolarHBondContact O-CA 3.35Å; R74-W138 HydrophobicContact CB-CD2 3.88Å; R74-W138 HydrophobicContact CB-CE3 3.71Å; R74-W138 HydrophobicContact CB-CH2 3.91Å; R74-W138 HydrophobicContact CB-CZ2 4.02Å; R74-W138 HydrophobicContact CB-CZ3 3.75Å; R74-W138 HydrophobicContact CG-CD2 4.32Å; R74-W138 HydrophobicContact CG-CZ2 4.38Å; L135-W138 PolarHBondContact O-N 2.92Å
139	I	46.5	Very low	39.9	Very low	33 Å²	33	83.5 Å²	83.5	17%	0.169	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.1	174	57.7	160.8	0	0	0	110.4	W73 G137 I141	W73-I139 HydrophobicContact CE3-CD1 3.6Å; W73-I139 HydrophobicContact CE3-CG1 3.55Å; W73-I139 HydrophobicContact CZ3-CD1 3.81Å; W73-I139 HydrophobicContact CZ3-CG1 4.15Å; W73-I139 PolarHBondContact N-O 3.32Å; W73-I139 PolarHBondContact O-N 3.47Å; G137-I139 PolarHBondContact O-N 2.92Å; I139-I141 HydrophobicContact CD1-CD1 4.38Å; I139-I141 HydrophobicContact CD1-CG1 4.11Å; I139-I141 HydrophobicContact CG1-CG1 4.3Å
140	W	46	Very low	39.1	Very low	91 Å²	91	87.1 Å²	87.1	35%	0.345	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.4	173.9	-76.6	101.2	0	0	0	110	Y69 L72 E324	Y69-W140 HydrophobicContact CD1-CB 3.92Å; Y69-W140 WeakPolarHBondContact CD1-O 3.23Å; Y69-W140 HydrophobicContact CD2-CB 4.03Å; Y69-W140 HydrophobicContact CG-CB 3.62Å; Y69-W140 HydrophobicContact CG-CG 4.43Å; L72-W140 HydrophobicContact CB-CD2 4.43Å; L72-W140 HydrophobicContact CB-CE3 4.21Å; L72-W140 HydrophobicContact CB-CH2 4.27Å; L72-W140 HydrophobicContact CB-CZ2 4.48Å; L72-W140 HydrophobicContact CB-CZ3 4.13Å; L72-W140 HydrophobicContact CD1-CD2 3.58Å; L72-W140 HydrophobicContact CD1-CE3 4.22Å; L72-W140 HydrophobicContact CD1-CG 3.82Å; L72-W140 HydrophobicContact CD1-CH2 4.43Å; L72-W140 HydrophobicContact CD1-CZ2 3.83Å; W140-E324 PolarHBondContact NE1-OE2 2.81Å
141	I	46.5	Very low	38.3	Very low	30 Å²	30	90 Å²	90	15%	0.154	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.8	-179.8	-61.6	-177.9	0	0	0	109	S70 R71 W73 I139	S70-I141 PolarHBondContact N-O 2.62Å; S70-I141 PolarHBondContact OG-O 3.31Å; R71-I141 HydrophobicContact CG-CB 3.97Å; R71-I141 PolarHBondContact N-O 2.76Å; R71-I141 PolarHBondContact O-N 2.72Å; W73-I141 HydrophobicContact CB-CD1 3.34Å; W73-I141 HydrophobicContact CB-CG1 3.91Å; W73-I141 HydrophobicContact CD2-CD1 3.82Å; W73-I141 HydrophobicContact CE3-CD1 4.01Å; W73-I141 HydrophobicContact CG-CD1 3.55Å; I139-I141 HydrophobicContact CD1-CD1 4.38Å; I139-I141 HydrophobicContact CD1-CG1 4.11Å; I139-I141 HydrophobicContact CG1-CG1 4.3Å
142	R	43.3	Very low	37.8	Very low	124 Å²	124	97.3 Å²	97.3	47%	0.468	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-69.5	127.1	158.9	-66	-175.9	179.5	162.5	-0.3	105.9	Y69 A144	Y69-R142 HydrophobicContact CD1-CB 4.42Å; Y69-R142 HydrophobicContact CD1-CG 3.43Å; Y69-R142 VanDerWaalsContact CD1-CG 3.43Å; Y69-R142 HydrophobicContact CE1-CG 3.55Å; Y69-R142 HydrophobicContact CG-CG 4.43Å; R142-A144 VanDerWaalsContact C-N 3.33Å; R142-A144 PolarHBondContact O-N 2.99Å
143	H	39.7	Very low	37	Very low	109 Å²	109	103.1 Å²	103.1	51%	0.505	55%	0.549	S	S	.	.	S	Bend	trans	-55.4	97.4	-178.8	-139.3	-75.5	0	0	0	110.8	S70 N291	S70-H143 WeakPolarHBondContact OG-CB 3.39Å; S70-H143 PolarHBondContact OG-N 3.47Å; H143-N291 PolarHBondContact ND1-ND2 3.23Å
144	A	32.5	Very low	36.3	Very low	57 Å²	57	105.9 Å²	105.9	47%	0.471	56%	0.557	S	S	.	*			trans	-156.7	109.7	175.4	0	0	0	0	0	106.1	R142	R142-A144 VanDerWaalsContact C-N 3.33Å; R142-A144 PolarHBondContact O-N 2.99Å
145	V	30.1	Very low	35.6	Very low	115 Å²	115	102.8 Å²	102.8	70%	0.697	55%	0.548	S	S	*	.			trans	61.3	98.9	160	-164.3	0	0	0	0	116.2
146	Q	27	Very low	35	Very low	126 Å²	126	108.4 Å²	108.4	59%	0.589	58%	0.577	S	S	*	*				-88.1	132.3	129.2	-84.5	-171.4	-29.6	0	0	105.9	I148	Q146-I148 PolarHBondContact O-N 3.48Å
147	P	25.8	Very low	33.7	Very low	96 Å²	96	109.8 Å²	109.8	62%	0.623	59%	0.591	S	S	*	*			trans	-60.9	122.3	150.6	9.9	3.9	0	0	0	104.8	E149	P147-E149 PolarHBondContact O-N 2.92Å
148	I	28.1	Very low	32.9	Very low	163 Å²	163	118 Å²	118	84%	0.836	63%	0.633	S	S	*	*			trans	-64	91.3	163.8	-64	169.7	0	0	0	104.1	Q146 S150	Q146-I148 PolarHBondContact O-N 3.48Å; I148-S150 PolarHBondContact O-N 3.26Å
149	E	28.8	Very low	32.3	Very low	163 Å²	163	122 Å²	122	76%	0.762	66%	0.656	S	S	*	*			trans	-65.4	120.2	161.9	-80	-174.6	168.3	0	0	106.4	P147 S151	P147-E149 PolarHBondContact O-N 2.92Å; E149-S151 VanDerWaalsContact C-N 3.34Å; E149-S151 PolarHBondContact O-N 3.02Å
150	S	25.9	Very low	31.3	Very low	120 Å²	120	125.1 Å²	125.1	84%	0.839	68%	0.681	S	S	*	*	S	Bend	trans	-55.9	87.9	177.5	47.1	0	0	0	0	111.4	I148	I148-S150 PolarHBondContact O-N 3.26Å
151	S	27.3	Very low	30.6	Very low	93 Å²	93	125.4 Å²	125.4	65%	0.65	70%	0.695	S	S	*	*			trans	-164.3	85.5	162.3	59.2	0	0	0	0	109.2	E149	E149-S151 VanDerWaalsContact C-N 3.34Å; E149-S151 PolarHBondContact O-N 3.02Å
152	I	28.7	Very low	29.7	Very low	157 Å²	157	131.6 Å²	131.6	81%	0.805	73%	0.727	S	S	*	*			trans	-172.3	71.6	138.5	-78.4	138.8	0	0	0	103.9
153	F	26.1	Very low	29.1	Very low	220 Å²	220	131.8 Å²	131.8	97%	0.965	74%	0.742	S	S	*	*			trans	-91.1	63.6	152.8	-115	-79.3	0	0	0	106
154	V	29.4	Very low	28.5	Very low	101 Å²	101	134.1 Å²	134.1	61%	0.612	76%	0.758	S	S	*	*			trans	-149	110.2	178.2	-173	0	0	0	0	109.5
155	N	27.2	Very low	28.5	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	78%	0.777	S	S	*	*			trans	68.9	73.8	150.7	-60.1	-19.8	0	0	0	119.2
156	L	30.7	Very low	28.6	Very low	181 Å²	181	136.8 Å²	136.8	95%	0.948	77%	0.772	S	S	*	*			trans	-135.1	92.9	134.5	-80	172.4	0	0	0	107.7	L158	L156-L158 PolarHBondContact O-N 3.47Å
157	G	25.2	Very low	28.8	Very low	77 Å²	77	138 Å²	138	79%	0.794	78%	0.783	S	S	*	*			trans	-62.4	128.3	178.1	0	0	0	0	0	110.9
158	L	30.8	Very low	29	Very low	173 Å²	173	137.1 Å²	137.1	91%	0.906	79%	0.791	S	S	*	*			trans	-148.4	113.4	155.8	-103.4	149.5	0	0	0	106.6	L156	L156-L158 PolarHBondContact O-N 3.47Å
159	H	32.4	Very low	29.3	Very low	188 Å²	188	136.6 Å²	136.6	87%	0.87	79%	0.788	S	S	*	*			trans	-43	135.2	-177.1	-85.1	-104.7	0	0	0	114.2
160	S	25.2	Very low	29.6	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	79%	0.792	S	S	*	*			trans	-51.3	169.8	149.5	65.4	0	0	0	0	111.1
161	P	32.6	Very low	30.1	Very low	98 Å²	98	138.6 Å²	138.6	64%	0.636	78%	0.782	S	S	*	*			cis	-155.4	-175	32.9	33.4	-6.1	0	0	0	117.1
162	L	27.5	Very low	30.7	Very low	159 Å²	159	141.4 Å²	141.4	83%	0.832	78%	0.784	S	S	*	*			trans	76.7	141.8	159.6	-38.7	174.2	0	0	0	114.5
163	V	30.2	Very low	31	Very low	129 Å²	129	138.2 Å²	138.2	78%	0.782	78%	0.776	S	S	*	*			cis	-156.1	147.5	33	174.3	0	0	0	0	108.7
164	N	27.2	Very low	31.6	Very low	158 Å²	158	131.7 Å²	131.7	85%	0.845	75%	0.754	S	S	*	*			trans	-52.3	132.8	170.1	-76	-42.5	0	0	0	113.3
165	V	33.1	Very low	32.2	Very low	143 Å²	143	137.1 Å²	137.1	87%	0.867	77%	0.765	S	S	*	*			trans	-116.2	121.1	151.9	-177.4	0	0	0	0	107.9
166	S	30.5	Very low	32.7	Very low	85 Å²	85	137.8 Å²	137.8	59%	0.594	76%	0.761	S	S	*	*			trans	-64.8	162.5	-176.3	46.6	0	0	0	0	113.6
167	D	32.9	Very low	33.6	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	75%	0.752	S	S	*	*			trans	81.6	97.8	153.3	-51	-35.9	0	0	0	119.1
168	G	29.1	Very low	34.7	Very low	77 Å²	77	141.5 Å²	141.5	79%	0.794	75%	0.748	S	S	*	*				99	45.7	111.5	0	0	0	0	0	118.8
169	I	35.4	Very low	35.5	Very low	152 Å²	152	135.2 Å²	135.2	78%	0.779	72%	0.721	S	S	*	*			trans	-133.5	99.5	156.8	-52.1	179.7	0	0	0	110.2	V171	I169-V171 HydrophobicContact CG2-CG2 3.66Å; I169-V171 PolarHBondContact O-N 2.97Å
170	R	33.8	Very low	36.5	Very low	223 Å²	223	133.3 Å²	133.3	84%	0.842	71%	0.71	S	S	*	*			trans	-74.2	101	162.7	-71.5	-175.7	-169	-157	3.6	108.1	H172	R170-H172 PolarHBondContact O-N 3.25Å
171	V	37.5	Very low	38	Very low	103 Å²	103	133.5 Å²	133.5	62%	0.624	70%	0.7	S	S	*	*			trans	-94.4	84.6	159.1	-167.7	0	0	0	0	107.7	I169 V174	I169-V171 HydrophobicContact CG2-CG2 3.66Å; I169-V171 PolarHBondContact O-N 2.97Å; V171-V174 HydrophobicContact CG1-CG2 3.72Å
172	H	38.7	Very low	38.9	Very low	151 Å²	151	132.8 Å²	132.8	70%	0.699	70%	0.697	S	S	*	*			trans	-58.6	143.4	156.3	-97.8	-104	0	0	0	108.9	R170	R170-H172 PolarHBondContact O-N 3.25Å
173	S	35.9	Very low	40.8	Very low	91 Å²	91	133.8 Å²	133.8	64%	0.636	69%	0.689	S	S	*	*			trans	57.1	77.4	169.4	68.3	0	0	0	0	116.9
174	V	37.4	Very low	42.6	Very low	82 Å²	82	131.7 Å²	131.7	50%	0.497	67%	0.673	S	S	.	*			trans	-113.7	88.3	150.7	-175.6	0	0	0	0	107.6	V171 F176 A179	V171-V174 HydrophobicContact CG1-CG2 3.72Å; V174-F176 PolarHBondContact O-N 3.37Å; V174-F176 VanDerWaalsContact O-N 3.13Å; V174-A179 HydrophobicContact CG1-CB 3.28Å
175	Y	42.1	Very low	44.3	Very low	216 Å²	216	129.7 Å²	129.7	85%	0.847	66%	0.662	S	S	*	*			trans	-74.7	14.5	-178.8	-83.6	-86.7	0	0	0	114.3
176	F	39.7	Very low	45.7	Very low	159 Å²	159	127.7 Å²	127.7	70%	0.697	65%	0.647	S	S	*	*			trans	-119.4	116	178.1	-80.9	-86.3	0	0	0	111.1	V174 K178 A179 K180	V174-F176 PolarHBondContact O-N 3.37Å; V174-F176 VanDerWaalsContact O-N 3.13Å; F176-K178 PolarHBondContact O-N 3.38Å; F176-K178 VanDerWaalsContact O-N 3.08Å; F176-A179 HydrophobicContact CB-CB 4.45Å; F176-A179 PolarHBondContact O-N 3.14Å; F176-K180 PolarHBondContact O-N 3.33Å
177	K	48.9	Very low	47.5	Very low	172 Å²	172	126.1 Å²	126.1	75%	0.748	64%	0.635	S	S	*	*	H	α-helix	trans	-47.2	-37.9	174.7	-162.2	177	-177.6	-177.5	0	112.4	A179 K180 E181	K177-A179 PolarHBondContact O-N 2.91Å; K177-K180 PolarHBondContact O-N 2.88Å; K177-E181 WeakPolarHBondContact O-CG 3.42Å; K177-E181 PolarHBondContact O-N 3.16Å; K177-E181 VanDerWaalsContact O-N 3.14Å
178	K	47.3	Very low	48.9	Very low	163 Å²	163	123.9 Å²	123.9	71%	0.709	62%	0.623	S	S	*	*	H	α-helix	trans	-62.5	-36.1	177	-116.6	171.2	-179.5	173.4	0	114.5	F176 E181 C182	F176-K178 PolarHBondContact O-N 3.38Å; F176-K178 VanDerWaalsContact O-N 3.08Å; K178-E181 PolarHBondContact O-N 2.79Å; K178-C182 PolarHBondContact O-N 3.11Å; K178-C182 PolarHBondContact O-SG 3.37Å; K178-C182 VanDerWaalsContact O-SG 3.34Å
179	A	47.3	Very low	50.3	Low	42 Å²	42	124.2 Å²	124.2	35%	0.347	61%	0.606	S	S	.	*	H	α-helix	trans	-78.6	-30.9	-178.7	0	0	0	0	0	111.9	V174 F176 K177 C182 W183	V174-A179 HydrophobicContact CG1-CB 3.28Å; F176-A179 HydrophobicContact CB-CB 4.45Å; F176-A179 PolarHBondContact O-N 3.14Å; K177-A179 PolarHBondContact O-N 2.91Å; A179-C182 PolarHBondContact O-N 3.31Å; A179-W183 PolarHBondContact O-N 3.39Å
180	K	54.5	Low	51.5	Low	148 Å²	148	121.4 Å²	121.4	64%	0.643	59%	0.592	S	S	*	*	H	α-helix	trans	-64.3	-41.1	168.3	-172	178.4	179.9	178.6	0	111.6	F176 K177 W183 L184	F176-K180 PolarHBondContact O-N 3.33Å; K177-K180 PolarHBondContact O-N 2.88Å; K180-W183 PolarHBondContact O-N 3.14Å; K180-L184 HydrophobicContact CG-CD1 4.25Å; K180-L184 WeakPolarHBondContact O-CB 3.49Å; K180-L184 PolarHBondContact O-N 2.83Å
181	E	56.3	Low	52.8	Low	102 Å²	102	114 Å²	114	48%	0.477	57%	0.572	S	S	.	*	H	α-helix	trans	-63.9	-42.9	174.9	-73.2	169	-176	0	0	112.1	K177 K178 L184 L185	K177-E181 WeakPolarHBondContact O-CG 3.42Å; K177-E181 PolarHBondContact O-N 3.16Å; K177-E181 VanDerWaalsContact O-N 3.14Å; K178-E181 PolarHBondContact O-N 2.79Å; E181-L184 PolarHBondContact O-N 2.77Å; E181-L185 PolarHBondContact O-N 3.26Å
182	C	51.1	Low	53.2	Low	83 Å²	83	114.5 Å²	114.5	56%	0.561	57%	0.571	S	S	*	*	H	α-helix	trans	-62	-43.4	174.5	-71	0	0	0	0	112.6	K178 A179 L185 D186	K178-C182 PolarHBondContact O-N 3.11Å; K178-C182 PolarHBondContact O-SG 3.37Å; K178-C182 VanDerWaalsContact O-SG 3.34Å; A179-C182 PolarHBondContact O-N 3.31Å; C182-L185 WeakPolarHBondContact O-CB 3.09Å; C182-L185 PolarHBondContact O-N 3.45Å; C182-D186 PolarHBondContact O-N 3.31Å
183	W	68.7	Low	53.7	Low	179 Å²	179	113.2 Å²	113.2	68%	0.678	57%	0.565	S	S	*	*	H	α-helix	trans	-65.2	-39.9	178.5	-176.2	81.4	0	0	0	112.4	A179 K180 L185 D186 S187	A179-W183 PolarHBondContact O-N 3.39Å; K180-W183 PolarHBondContact O-N 3.14Å; W183-L185 VanDerWaalsContact C-N 3.3Å; W183-L185 PolarHBondContact O-N 2.65Å; W183-D186 PolarHBondContact O-N 2.88Å; W183-S187 WeakPolarHBondContact O-CB 3.33Å; W183-S187 PolarHBondContact O-N 3.45Å
184	L	66.4	Low	54.1	Low	86 Å²	86	113.5 Å²	113.5	45%	0.45	57%	0.566	S	S	.	*	H	α-helix	trans	-62.1	-38.1	172.8	-83.4	159.9	0	0	0	111.9	K180 E181 L188	K180-L184 HydrophobicContact CG-CD1 4.25Å; K180-L184 WeakPolarHBondContact O-CB 3.49Å; K180-L184 PolarHBondContact O-N 2.83Å; E181-L184 PolarHBondContact O-N 2.77Å; L184-L188 WeakPolarHBondContact O-CB 3.49Å; L184-L188 WeakPolarHBondContact O-CG 3.07Å; L184-L188 PolarHBondContact O-N 2.88Å
185	L	64.5	Low	54.7	Low	115 Å²	115	117.7 Å²	117.7	60%	0.602	58%	0.578	S	S	*	*	H	α-helix	trans	-66.5	-45.1	176.5	-131.3	92.8	0	0	0	112	E181 C182 W183 S187 L188 L189	E181-L185 PolarHBondContact O-N 3.26Å; C182-L185 WeakPolarHBondContact O-CB 3.09Å; C182-L185 PolarHBondContact O-N 3.45Å; W183-L185 VanDerWaalsContact C-N 3.3Å; W183-L185 PolarHBondContact O-N 2.65Å; L185-S187 VanDerWaalsContact C-N 3.35Å; L185-L188 PolarHBondContact O-N 2.83Å; L185-L189 WeakPolarHBondContact O-CG 3.26Å; L185-L189 PolarHBondContact O-N 2.72Å
186	D	61.8	Low	54.6	Low	102 Å²	102	115 Å²	115	55%	0.545	57%	0.566	S	S	.	*	H	α-helix	trans	-63.4	-41.6	176.9	-111.5	11.1	0	0	0	111.3	C182 W183 L188 L189 N190	C182-D186 PolarHBondContact O-N 3.31Å; W183-D186 PolarHBondContact O-N 2.88Å; D186-L188 VanDerWaalsContact C-N 3.32Å; D186-L188 PolarHBondContact O-N 3.02Å; D186-L189 PolarHBondContact O-N 3.46Å; D186-N190 PolarHBondContact O-N 2.76Å
187	S	67.6	Low	54.5	Low	51 Å²	51	114.9 Å²	114.9	36%	0.357	57%	0.568	S	S	.	*	H	α-helix	trans	-65.4	-36.3	176.8	-158.6	0	0	0	0	111.8	W183 L185 T191	W183-S187 WeakPolarHBondContact O-CB 3.33Å; W183-S187 PolarHBondContact O-N 3.45Å; L185-S187 VanDerWaalsContact C-N 3.35Å; S187-T191 WeakPolarHBondContact O-CB 3.49Å; S187-T191 PolarHBondContact O-N 2.95Å; S187-T191 PolarHBondContact O-OG1 3.46Å
188	L	62.7	Low	53.9	Low	105 Å²	105	113 Å²	113	55%	0.55	57%	0.57	S	S	.	*	H	α-helix	trans	-68.8	-41.3	173.3	-82.4	168.2	0	0	0	112.1	L184 L185 D186 T191 L192	L184-L188 WeakPolarHBondContact O-CB 3.49Å; L184-L188 WeakPolarHBondContact O-CG 3.07Å; L184-L188 PolarHBondContact O-N 2.88Å; L185-L188 PolarHBondContact O-N 2.83Å; D186-L188 VanDerWaalsContact C-N 3.32Å; D186-L188 PolarHBondContact O-N 3.02Å; L188-T191 PolarHBondContact O-N 3.01Å; L188-L192 WeakPolarHBondContact O-CB 3.5Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.78Å
189	L	58.9	Low	53.1	Low	83 Å²	83	110.6 Å²	110.6	44%	0.435	57%	0.574	S	S	.	*	H	α-helix	trans	-62	-46.9	175.9	-77.1	169.4	0	0	0	111.2	L185 D186 T191 L192 E193	L185-L189 WeakPolarHBondContact O-CG 3.26Å; L185-L189 PolarHBondContact O-N 2.72Å; D186-L189 PolarHBondContact O-N 3.46Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 3.42Å; L189-L192 CarbonylContact O-C 3.52Å; L189-L192 PolarHBondContact O-N 2.85Å; L189-L192 VanDerWaalsContact O-N 3.09Å; L189-E193 WeakPolarHBondContact O-CB 3.49Å; L189-E193 WeakPolarHBondContact O-CG 3.31Å; L189-E193 PolarHBondContact O-N 3.35Å
190	N	59.5	Low	52.7	Low	93 Å²	93	113.9 Å²	113.9	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-60.3	-39.4	174.6	-77.6	-22.7	0	0	0	112	D186 L192 E193 C194	D186-N190 PolarHBondContact O-N 2.76Å; N190-L192 VanDerWaalsContact C-N 3.32Å; N190-L192 PolarHBondContact O-N 3.33Å; N190-E193 PolarHBondContact O-N 2.78Å; N190-C194 WeakPolarHBondContact O-CB 3.25Å; N190-C194 PolarHBondContact O-N 3.16Å; N190-C194 PolarHBondContact O-SG 3.3Å; N190-C194 VanDerWaalsContact O-SG 3.33Å
191	T	62.2	Low	51.6	Low	68 Å²	68	115.4 Å²	115.4	42%	0.417	60%	0.598	S	S	.	*	H	α-helix	trans	-66.2	-35.6	176.5	-52	0	0	0	0	111.8	S187 L188 L189 K195	S187-T191 WeakPolarHBondContact O-CB 3.49Å; S187-T191 PolarHBondContact O-N 2.95Å; S187-T191 PolarHBondContact O-OG1 3.46Å; L188-T191 PolarHBondContact O-N 3.01Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 3.42Å; T191-K195 WeakPolarHBondContact O-CB 3.37Å; T191-K195 WeakPolarHBondContact O-CG 3.4Å; T191-K195 PolarHBondContact O-N 3.36Å
192	L	46.6	Very low	50.5	Low	114 Å²	114	116.3 Å²	116.3	60%	0.597	61%	0.611	S	S	*	*	H	α-helix	trans	-76.3	-31.9	177.1	-70.6	173.4	0	0	0	112.5	L188 L189 N190 R196	L188-L192 WeakPolarHBondContact O-CB 3.5Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.78Å; L189-L192 CarbonylContact O-C 3.52Å; L189-L192 PolarHBondContact O-N 2.85Å; L189-L192 VanDerWaalsContact O-N 3.09Å; N190-L192 VanDerWaalsContact C-N 3.32Å; N190-L192 PolarHBondContact O-N 3.33Å; L192-R196 PolarHBondContact O-N 3.4Å
193	E	47.2	Very low	49.5	Very low	123 Å²	123	115.9 Å²	115.9	58%	0.575	61%	0.613	S	S	*	*	H	α-helix	trans	-72.7	-44.6	174.8	-74.4	-177.5	170.3	0	0	111.5	L189 N190 K195 R196	L189-E193 WeakPolarHBondContact O-CB 3.49Å; L189-E193 WeakPolarHBondContact O-CG 3.31Å; L189-E193 PolarHBondContact O-N 3.35Å; N190-E193 PolarHBondContact O-N 2.78Å; E193-K195 VanDerWaalsContact C-N 3.26Å; E193-K195 PolarHBondContact O-N 3.28Å; E193-R196 WeakPolarHBondContact O-CB 2.99Å; E193-R196 PolarHBondContact O-N 3.31Å
194	C	46.2	Very low	48	Very low	97 Å²	97	113.3 Å²	113.3	66%	0.655	62%	0.617	S	S	*	*	H	α-helix	trans	-63.8	-29.5	174.7	-69.3	0	0	0	0	113	N190 R196	N190-C194 WeakPolarHBondContact O-CB 3.25Å; N190-C194 PolarHBondContact O-N 3.16Å; N190-C194 PolarHBondContact O-SG 3.3Å; N190-C194 VanDerWaalsContact O-SG 3.33Å; C194-R196 PolarHBondContact O-N 3.03Å
195	K	49.2	Very low	46.4	Very low	171 Å²	171	118 Å²	118	74%	0.743	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-6.2	173	-75.7	-174.2	179.4	-173.8	0	113.7	T191 E193	T191-K195 WeakPolarHBondContact O-CB 3.37Å; T191-K195 WeakPolarHBondContact O-CG 3.4Å; T191-K195 PolarHBondContact O-N 3.36Å; E193-K195 VanDerWaalsContact C-N 3.26Å; E193-K195 PolarHBondContact O-N 3.28Å
196	R	39.9	Very low	44.9	Very low	160 Å²	160	123.7 Å²	123.7	60%	0.604	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-3.7	-178.1	-140.4	173.1	-179.6	-178.6	-3.6	113.4	L192 E193 C194 H243	L192-R196 PolarHBondContact O-N 3.4Å; E193-R196 WeakPolarHBondContact O-CB 2.99Å; E193-R196 PolarHBondContact O-N 3.31Å; C194-R196 PolarHBondContact O-N 3.03Å; R196-H243 PolarHBondContact NH2-ND1 2.73Å; R196-H243 VanDerWaalsContact NH2-ND1 3.18Å
197	E	38.2	Very low	43.5	Very low	156 Å²	156	122 Å²	122	73%	0.729	66%	0.656	S	S	*	*	S	Bend	trans	-89.4	132.8	172	-66.4	-172.1	161.8	0	0	111.1
198	V	35.5	Very low	42.1	Very low	133 Å²	133	126.4 Å²	126.4	81%	0.806	67%	0.674	S	S	*	*			trans	80.9	87.5	169.8	-158.2	0	0	0	0	116.9
199	S	31.2	Very low	40.9	Very low	111 Å²	111	123.7 Å²	123.7	78%	0.776	66%	0.664	S	S	*	*				-116.5	130.6	125.5	66	0	0	0	0	108.1
200	P	38	Very low	40.1	Very low	112 Å²	112	126.7 Å²	126.7	73%	0.727	68%	0.68	S	S	*	*			trans	-68.9	139.6	-174.6	-1.4	14.7	0	0	0	111.5	V202	P200-V202 PolarHBondContact O-N 3.18Å
201	F	31.8	Very low	39.7	Very low	179 Å²	179	124.1 Å²	124.1	79%	0.785	67%	0.669	S	S	*	*			trans	-22.8	107.4	162.8	-163.9	-98.3	0	0	0	115.2	A203	F201-A203 HydrophobicContact CD1-CB 4.25Å; F201-A203 HydrophobicContact CE1-CB 3.8Å
202	V	33.8	Very low	39	Very low	122 Å²	122	132.1 Å²	132.1	74%	0.739	69%	0.692	S	S	*	*			trans	-91.1	116.2	154.4	176.5	0	0	0	0	106.5	P200 V204	P200-V202 PolarHBondContact O-N 3.18Å; V202-V204 PolarHBondContact O-N 2.97Å
203	A	30.4	Very low	39.2	Very low	73 Å²	73	131.2 Å²	131.2	60%	0.603	70%	0.701	S	S	*	*			trans	-64.4	90.4	178.3	0	0	0	0	0	110.5	F201	F201-A203 HydrophobicContact CD1-CB 4.25Å; F201-A203 HydrophobicContact CE1-CB 3.8Å
204	V	36.4	Very low	39.5	Very low	125 Å²	125	128.9 Å²	128.9	76%	0.758	70%	0.698	S	S	*	*			trans	-79	124.7	167.3	178.8	0	0	0	0	107.8	V202 R206	V202-V204 PolarHBondContact O-N 2.97Å; V204-R206 PolarHBondContact O-N 2.95Å
205	Q	32.9	Very low	39.7	Very low	185 Å²	185	124.6 Å²	124.6	86%	0.864	67%	0.669	S	S	*	*			trans	-46.7	124.1	-176.8	-70.9	179.4	-21.2	0	0	111.6	G207	Q205-G207 VanDerWaalsContact C-N 3.26Å; Q205-G207 PolarHBondContact O-N 3.09Å
206	R	32.3	Very low	39.5	Very low	234 Å²	234	119.1 Å²	119.1	88%	0.883	64%	0.644	S	S	*	*			trans	-68.7	83.2	173.1	-70.2	178.7	177.7	173.8	-0.7	109.3	V204 I208	V204-R206 PolarHBondContact O-N 2.95Å; R206-I208 PolarHBondContact O-N 3.15Å; R206-I208 VanDerWaalsContact O-N 3.16Å
207	G	33.2	Very low	40	Very low	66 Å²	66	112.7 Å²	112.7	68%	0.68	62%	0.623	S	S	*	*			trans	-69.3	102.3	162.3	0	0	0	0	0	109.1	Q205 C209	Q205-G207 VanDerWaalsContact C-N 3.26Å; Q205-G207 PolarHBondContact O-N 3.09Å; G207-C209 PolarHBondContact O-N 2.92Å
208	I	37.2	Very low	40.6	Very low	144 Å²	144	111.5 Å²	111.5	74%	0.738	62%	0.62	S	S	*	*			trans	-62.3	100.5	165.9	-60.9	168.1	0	0	0	105.9	R206 D210	R206-I208 PolarHBondContact O-N 3.15Å; R206-I208 VanDerWaalsContact O-N 3.16Å; I208-D210 PolarHBondContact O-N 2.99Å
209	C	37.9	Very low	41.3	Very low	48 Å²	48	106.4 Å²	106.4	32%	0.324	59%	0.59	S	S	.	*			trans	-76.5	106.1	169.1	84.2	0	0	0	0	108.1	G207 S211 K225	G207-C209 PolarHBondContact O-N 2.92Å; C209-S211 PolarHBondContact O-N 3.04Å; C209-S211 PolarHBondContact SG-OG 2.95Å; C209-K225 WeakPolarHBondContact SG-CE 3.25Å; C209-K225 PolarHBondContact SG-NZ 3.02Å
210	D	43.2	Very low	42.2	Very low	147 Å²	147	102.6 Å²	102.6	79%	0.786	56%	0.563	S	S	*	*			trans	-68.3	20.6	169.9	-93.4	-27.8	0	0	0	113.2	I208 R212	I208-D210 PolarHBondContact O-N 2.99Å; D210-R212 PolarHBondContact O-N 3.17Å
211	S	49.7	Very low	42.9	Very low	38 Å²	38	106.3 Å²	106.3	27%	0.266	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	18.4	-173.8	62	0	0	0	0	114.9	C209 A213 S214 C215	C209-S211 PolarHBondContact O-N 3.04Å; C209-S211 PolarHBondContact SG-OG 2.95Å; S211-A213 PolarHBondContact O-N 3.46Å; S211-S214 VanDerWaalsContact CB-OG 3.32Å; S211-S214 WeakPolarHBondContact CB-OG 3.42Å; S211-S214 PolarHBondContact O-N 2.76Å; S211-C215 PolarHBondContact O-N 3.01Å
212	R	48.5	Very low	43.7	Very low	237 Å²	237	102.2 Å²	102.2	89%	0.894	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-23.4	166.5	-83.7	-176.3	169.4	167.9	-2.6	111.8	D210	D210-R212 PolarHBondContact O-N 3.17Å
213	A	50.5	Low	44.6	Very low	94 Å²	94	102.8 Å²	102.8	78%	0.777	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-26.4	177.6	0	0	0	0	0	114.5	S211	S211-A213 PolarHBondContact O-N 3.46Å
214	S	53.4	Low	45.4	Very low	74 Å²	74	100.9 Å²	100.9	52%	0.517	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-12.8	-172.2	60.3	0	0	0	0	115	S211 Y216	S211-S214 VanDerWaalsContact CB-OG 3.32Å; S211-S214 WeakPolarHBondContact CB-OG 3.42Å; S211-S214 PolarHBondContact O-N 2.76Å; S214-Y216 WeakPolarHBondContact O-CD1 3.26Å
215	C	50.7	Low	45.9	Very low	7 Å²	7	101 Å²	101	5%	0.047	52%	0.523	C	S	.	.			trans	-88.6	114.3	175.5	-167.8	0	0	0	0	111.8	S211 C220 C228	S211-C215 PolarHBondContact O-N 3.01Å; C215-C220 HydrophobicContact CB-CB 4.14Å; C215-C220 WeakPolarHBondContact SG-CB 3.32Å; C215-C228 PolarHBondContact SG-SG 2.73Å
216	Y	45.7	Very low	46.5	Very low	57 Å²	57	103 Å²	103	22%	0.224	52%	0.524	C	S	.	.			trans	-87.6	-6.1	-174.1	44.3	-84.4	0	0	0	113.5	S214 S230 S232 Q411 L415	S214-Y216 WeakPolarHBondContact O-CD1 3.26Å; Y216-S230 PolarHBondContact OH-OG 2.63Å; Y216-S232 PolarHBondContact OH-OG 3.33Å; Y216-Q411 HydrophobicContact CD2-CB 3.89Å; Y216-Q411 VanDerWaalsContact CD2-CD 3.46Å; Y216-Q411 HydrophobicContact CD2-CG 3.39Å; Y216-Q411 HydrophobicContact CE2-CB 3.77Å; Y216-Q411 HydrophobicContact CE2-CG 3.83Å; Y216-Q411 WeakPolarHBondContact CE2-O 3.28Å; Y216-Q411 HydrophobicContact CG-CG 4.37Å; Y216-Q411 PolarHBondContact O-NE2 3.42Å; Y216-L415 HydrophobicContact CD1-CD1 3.4Å; Y216-L415 VanDerWaalsContact CD1-CD1 3.4Å; Y216-L415 HydrophobicContact CD1-CD2 3.87Å; Y216-L415 HydrophobicContact CD1-CG 4.22Å; Y216-L415 HydrophobicContact CD2-CD1 4.18Å; Y216-L415 HydrophobicContact CE1-CD1 3.07Å; Y216-L415 HydrophobicContact CE1-CD2 3.35Å; Y216-L415 HydrophobicContact CE1-CG 3.72Å; Y216-L415 HydrophobicContact CE2-CD1 3.82Å; Y216-L415 HydrophobicContact CG-CD1 3.96Å
217	T	50.3	Low	47.3	Very low	25 Å²	25	93.3 Å²	93.3	15%	0.153	49%	0.494	C	S	.	.			trans	-83.7	126.7	-178.3	-35.4	0	0	0	0	111.4	S219 C220 S230	T217-S219 PolarHBondContact O-N 3.36Å; T217-S219 VanDerWaalsContact O-N 3.11Å; T217-C220 WeakPolarHBondContact O-CB 3.43Å; T217-C220 PolarHBondContact O-N 3.38Å; T217-S230 WeakPolarHBondContact OG1-CB 3.47Å
218	I	49.8	Very low	47.9	Very low	130 Å²	130	91 Å²	91	67%	0.667	47%	0.467	S	S	*	.	H	α-helix	trans	-56.2	-30.8	177	-156.3	159	0	0	0	112	C220 R221 V222	I218-C220 VanDerWaalsContact C-N 3.26Å; I218-C220 PolarHBondContact O-N 2.85Å; I218-R221 PolarHBondContact O-N 3.33Å; I218-R221 VanDerWaalsContact O-N 3.13Å; I218-V222 HydrophobicContact CG1-CG2 4.02Å; I218-V222 WeakPolarHBondContact O-CB 3.5Å; I218-V222 VanDerWaalsContact O-CG2 3.28Å; I218-V222 WeakPolarHBondContact O-CG2 3.29Å; I218-V222 PolarHBondContact O-N 2.9Å
219	S	49.6	Very low	48.4	Very low	27 Å²	27	93 Å²	93	19%	0.189	47%	0.467	C	S	.	.	H	α-helix	trans	-61.3	-31	175.5	-44.2	0	0	0	0	113.6	T217 F223	T217-S219 PolarHBondContact O-N 3.36Å; T217-S219 VanDerWaalsContact O-N 3.11Å; S219-F223 WeakPolarHBondContact O-CB 3.33Å; S219-F223 PolarHBondContact O-N 2.87Å
220	C	51	Low	48.7	Very low	31 Å²	31	90.9 Å²	90.9	21%	0.209	45%	0.452	C	S	.	.	H	α-helix	trans	-75.1	-32.7	177.3	-149.3	0	0	0	0	111.7	C215 T217 I218 C228	C215-C220 HydrophobicContact CB-CB 4.14Å; C215-C220 WeakPolarHBondContact SG-CB 3.32Å; T217-C220 WeakPolarHBondContact O-CB 3.43Å; T217-C220 PolarHBondContact O-N 3.38Å; I218-C220 VanDerWaalsContact C-N 3.26Å; I218-C220 PolarHBondContact O-N 2.85Å; C220-C228 HydrophobicContact CB-CB 4.04Å
221	R	53	Low	48.7	Very low	190 Å²	190	86.2 Å²	86.2	72%	0.717	43%	0.43	S	S	*	.	H	α-helix	trans	-77.5	-30.5	175.5	-66.3	-173.9	-178.3	-173.1	-0.6	112.9	I218	I218-R221 PolarHBondContact O-N 3.33Å; I218-R221 VanDerWaalsContact O-N 3.13Å
222	V	49.1	Very low	48.7	Very low	92 Å²	92	86.7 Å²	86.7	56%	0.558	43%	0.433	S	S	*	.	H	α-helix	trans	-97.6	-38.2	-173.7	178.1	0	0	0	0	113.2	I218	I218-V222 HydrophobicContact CG1-CG2 4.02Å; I218-V222 WeakPolarHBondContact O-CB 3.5Å; I218-V222 VanDerWaalsContact O-CG2 3.28Å; I218-V222 WeakPolarHBondContact O-CG2 3.29Å; I218-V222 PolarHBondContact O-N 2.9Å
223	F	51.3	Low	48.7	Very low	135 Å²	135	76.8 Å²	76.8	59%	0.592	40%	0.4	S	S	*	.	H	α-helix	trans	-117.9	1.2	-170.2	-60.2	-69.7	0	0	0	114.4	S219 A227	S219-F223 WeakPolarHBondContact O-CB 3.33Å; S219-F223 PolarHBondContact O-N 2.87Å; F223-A227 HydrophobicContact CB-CB 3.49Å; F223-A227 VanDerWaalsContact CB-CB 3.49Å; F223-A227 HydrophobicContact CG-CB 4.36Å
224	G	48.1	Very low	48.7	Very low	32 Å²	32	77.1 Å²	77.1	33%	0.33	39%	0.387	S	S	.	.			trans	71.4	179.7	-179	0	0	0	0	0	114.1	Y226 A227	G224-Y226 PolarHBondContact O-N 3.3Å; G224-A227 PolarHBondContact O-N 3.39Å
225	K	46.1	Very low	48.2	Very low	129 Å²	129	81.1 Å²	81.1	56%	0.561	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-55.8	-23.2	-169.1	-67.6	-176.1	-179	-177.7	0	114.7	C209 A227	C209-K225 WeakPolarHBondContact SG-CE 3.25Å; C209-K225 PolarHBondContact SG-NZ 3.02Å; K225-A227 VanDerWaalsContact C-N 3.29Å; K225-A227 PolarHBondContact O-N 3.18Å
226	Y	46.1	Very low	47.7	Very low	227 Å²	227	87.3 Å²	87.3	89%	0.89	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-79.7	-7.2	-175.3	-57.6	-71.1	0	0	0	114.5	G224	G224-Y226 PolarHBondContact O-N 3.3Å
227	A	48.9	Very low	47.5	Very low	30 Å²	30	90.6 Å²	90.6	25%	0.248	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-125.2	9.6	-177.2	0	0	0	0	0	113.5	F223 G224 K225	F223-A227 HydrophobicContact CB-CB 3.49Å; F223-A227 VanDerWaalsContact CB-CB 3.49Å; F223-A227 HydrophobicContact CG-CB 4.36Å; G224-A227 PolarHBondContact O-N 3.39Å; K225-A227 VanDerWaalsContact C-N 3.29Å; K225-A227 PolarHBondContact O-N 3.18Å
228	C	46.2	Very low	46.7	Very low	18 Å²	18	94.2 Å²	94.2	12%	0.122	48%	0.479	C	S	.	.			trans	-88.1	117.6	178.4	-170	0	0	0	0	111.1	C215 C220 S230 C233	C215-C228 PolarHBondContact SG-SG 2.73Å; C220-C228 HydrophobicContact CB-CB 4.04Å; C228-S230 VanDerWaalsContact SG-CB 3.54Å; C228-C233 HydrophobicContact CB-CB 4.27Å; C228-C233 PolarHBondContact SG-SG 3.24Å
229	Y	46.5	Very low	45.9	Very low	186 Å²	186	91.7 Å²	91.7	73%	0.729	49%	0.485	S	S	*	.			trans	-97.8	13	175	-68.2	-90.5	0	0	0	112.9
230	S	45	Very low	45	Very low	3 Å²	3	94.3 Å²	94.3	2%	0.021	50%	0.503	C	S	.	.			trans	-65.2	133.9	176.6	169.3	0	0	0	0	110.1	Y216 T217 C228 S232 C233 I234	Y216-S230 PolarHBondContact OH-OG 2.63Å; T217-S230 WeakPolarHBondContact OG1-CB 3.47Å; C228-S230 VanDerWaalsContact SG-CB 3.54Å; S230-S232 PolarHBondContact O-N 3.18Å; S230-S232 VanDerWaalsContact O-N 3.17Å; S230-S232 WeakPolarHBondContact OG-CB 2.93Å; S230-S232 PolarHBondContact OG-N 3.4Å; S230-S232 VanDerWaalsContact OG-N 3.16Å; S230-S232 PolarHBondContact OG-OG 3.13Å; S230-C233 PolarHBondContact O-N 2.89Å; S230-I234 PolarHBondContact O-N 2.91Å
231	P	43.7	Very low	44	Very low	49 Å²	49	104.1 Å²	104.1	32%	0.318	54%	0.536	S	S	.	.	H	α-helix	trans	-51.1	-34.7	169.8	-24.4	32	0	0	0	112.9	C233 I234 E235 F412	P231-C233 PolarHBondContact O-N 3.38Å; P231-I234 WeakPolarHBondContact O-CB 3.08Å; P231-I234 PolarHBondContact O-N 3.15Å; P231-E235 PolarHBondContact O-N 2.88Å; P231-F412 HydrophobicContact CG-CD1 4.41Å; P231-F412 HydrophobicContact CG-CE1 3.39Å; P231-F412 HydrophobicContact CG-CZ 3.49Å; P231-F412 VanDerWaalsContact CG-CZ 3.49Å
232	S	48.4	Very low	42.8	Very low	48 Å²	48	103.8 Å²	103.8	34%	0.336	54%	0.54	S	S	.	.	H	α-helix	trans	-66.6	-16.5	176.9	-43.9	0	0	0	0	114	Y216 S230	Y216-S232 PolarHBondContact OH-OG 3.33Å; S230-S232 PolarHBondContact O-N 3.18Å; S230-S232 VanDerWaalsContact O-N 3.17Å; S230-S232 WeakPolarHBondContact OG-CB 2.93Å; S230-S232 PolarHBondContact OG-N 3.4Å; S230-S232 VanDerWaalsContact OG-N 3.16Å; S230-S232 PolarHBondContact OG-OG 3.13Å
233	C	48.4	Very low	41.8	Very low	29 Å²	29	106 Å²	106	20%	0.196	54%	0.544	C	S	.	.	H	α-helix	trans	-98.9	-14.8	172	-66.9	0	0	0	0	112.5	C228 S230 P231 F237	C228-C233 HydrophobicContact CB-CB 4.27Å; C228-C233 PolarHBondContact SG-SG 3.24Å; S230-C233 PolarHBondContact O-N 2.89Å; P231-C233 PolarHBondContact O-N 3.38Å; C233-F237 WeakPolarHBondContact O-CD2 3.35Å
234	I	50.3	Low	40.7	Very low	100 Å²	100	107.3 Å²	107.3	51%	0.513	56%	0.556	S	S	.	*	H	α-helix	trans	-81.6	-29.4	-179.2	-81.5	169.4	0	0	0	112.2	S230 P231 N236 F237	S230-I234 PolarHBondContact O-N 2.91Å; P231-I234 WeakPolarHBondContact O-CB 3.08Å; P231-I234 PolarHBondContact O-N 3.15Å; I234-N236 PolarHBondContact O-N 3.29Å; I234-F237 WeakPolarHBondContact O-CB 3.31Å; I234-F237 PolarHBondContact O-N 3.43Å
235	E	43.9	Very low	39.8	Very low	159 Å²	159	112.3 Å²	112.3	74%	0.743	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-65.1	-21.6	-179.4	-70.7	-174.1	165.1	0	0	113.9	P231 F237	P231-E235 PolarHBondContact O-N 2.88Å; E235-F237 VanDerWaalsContact C-N 3.34Å
236	N	40.8	Very low	38.9	Very low	136 Å²	136	109.9 Å²	109.9	73%	0.727	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-84.2	-4	172.5	-76	-35.1	0	0	0	114.1	I234	I234-N236 PolarHBondContact O-N 3.29Å
237	F	40.6	Very low	38.1	Very low	127 Å²	127	109.4 Å²	109.4	56%	0.557	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-102.2	1.8	-175	-95.1	-87.3	0	0	0	114.6	C233 I234 E235 G239 S240	C233-F237 WeakPolarHBondContact O-CD2 3.35Å; I234-F237 WeakPolarHBondContact O-CB 3.31Å; I234-F237 PolarHBondContact O-N 3.43Å; E235-F237 VanDerWaalsContact C-N 3.34Å; F237-G239 PolarHBondContact O-N 2.64Å; F237-S240 PolarHBondContact O-N 2.93Å
238	A	34.8	Very low	37.1	Very low	101 Å²	101	111.8 Å²	111.8	84%	0.835	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-6.3	-174.8	0	0	0	0	0	115.7
239	G	32.3	Very low	36.3	Very low	77 Å²	77	114.4 Å²	114.4	79%	0.794	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-5.8	-179.1	0	0	0	0	0	117	F237	F237-G239 PolarHBondContact O-N 2.64Å
240	S	30.3	Very low	35.4	Very low	82 Å²	82	116.4 Å²	116.4	57%	0.573	65%	0.653	S	S	*	*	S	Bend	trans	-121.9	116.6	-166.6	-53.4	0	0	0	0	112.8	F237 F242	F237-S240 PolarHBondContact O-N 2.93Å; S240-F242 PolarHBondContact O-N 3.27Å
241	R	29.8	Very low	34.5	Very low	237 Å²	237	124.8 Å²	124.8	89%	0.894	69%	0.689	S	S	*	*			trans	-50.7	130.2	170.7	-67.4	177.9	-158	170.3	6.5	109.9	H243	R241-H243 PolarHBondContact O-N 2.92Å
242	F	28.4	Very low	33.7	Very low	183 Å²	183	132.9 Å²	132.9	80%	0.803	71%	0.713	S	S	*	*			trans	-57.8	101	174.4	-77.1	-93	0	0	0	111	S240	S240-F242 PolarHBondContact O-N 3.27Å
243	H	27	Very low	32.6	Very low	138 Å²	138	136.3 Å²	136.3	64%	0.639	73%	0.731	S	S	*	*			trans	-89	104.5	153.8	-81.8	-69	0	0	0	107.9	R196 R241 L245	R196-H243 PolarHBondContact NH2-ND1 2.73Å; R196-H243 VanDerWaalsContact NH2-ND1 3.18Å; R241-H243 PolarHBondContact O-N 2.92Å; H243-L245 VanDerWaalsContact C-N 3.3Å; H243-L245 PolarHBondContact O-N 2.95Å
244	L	29.7	Very low	31.5	Very low	162 Å²	162	142.9 Å²	142.9	85%	0.848	76%	0.759	S	S	*	*			trans	-64.1	96.1	158.9	-85.4	155.2	0	0	0	107.1	G246	L244-G246 PolarHBondContact O-N 3.02Å
245	L	28.6	Very low	30.4	Very low	138 Å²	138	143.8 Å²	143.8	72%	0.723	77%	0.769	S	S	*	*			trans	-69.7	111	164.3	-75.8	168.4	0	0	0	107.4	H243	H243-L245 VanDerWaalsContact C-N 3.3Å; H243-L245 PolarHBondContact O-N 2.95Å
246	G	26.8	Very low	29.6	Very low	77 Å²	77	145.8 Å²	145.8	79%	0.794	78%	0.778	S	S	*	*			trans	-66.6	136.8	171.2	0	0	0	0	0	110.4	L244	L244-G246 PolarHBondContact O-N 3.02Å
247	F	30.4	Very low	29.1	Very low	217 Å²	217	147.6 Å²	147.6	95%	0.952	78%	0.783	S	S	*	*			trans	-91.3	116.3	168.1	-84.3	-86.9	0	0	0	109.3
248	G	27.9	Very low	28.8	Very low	80 Å²	80	146.1 Å²	146.1	83%	0.825	79%	0.786	S	S	*	*			trans	-158.9	128.7	169.7	0	0	0	0	0	111.2
249	G	29.2	Very low	28.6	Very low	73 Å²	73	149.8 Å²	149.8	75%	0.753	79%	0.786	S	S	*	*			trans	118.5	91.4	172.3	0	0	0	0	0	113.1
250	R	28	Very low	28.7	Very low	228 Å²	228	151.1 Å²	151.1	86%	0.86	78%	0.783	S	S	*	*				49.1	137.8	86.6	-74.4	-172.4	-179.2	176.4	3	113
251	K	25.9	Very low	28.7	Very low	180 Å²	180	154.5 Å²	154.5	78%	0.783	80%	0.795	S	S	*	*			cis	-165.7	157.7	8.4	-106.5	174	177.6	-173.6	0	104.4
252	R	26.1	Very low	28.9	Very low	218 Å²	218	150.3 Å²	150.3	82%	0.823	80%	0.795	S	S	*	*				-175.4	138.6	88.3	-170.6	-177.2	-84.9	-151.5	-0.3	109.1
253	V	24.6	Very low	28.9	Very low	120 Å²	120	146.9 Å²	146.9	73%	0.727	79%	0.794	S	S	*	*			trans	-93.9	135.4	171.3	169.5	0	0	0	0	107.5	V255	V253-V255 HydrophobicContact CG1-CG2 3.92Å
254	E	26.4	Very low	29.1	Very low	168 Å²	168	145.6 Å²	145.6	79%	0.785	80%	0.8	S	S	*	*			trans	-132.1	128.6	151.4	-82.4	174.9	-168	0	0	107.5
255	V	26.5	Very low	29.2	Very low	118 Å²	118	143.6 Å²	143.6	72%	0.715	80%	0.795	S	S	*	*			trans	-114.6	124.6	176.7	169.4	0	0	0	0	106.2	V253	V253-V255 HydrophobicContact CG1-CG2 3.92Å
256	E	28.6	Very low	29.2	Very low	201 Å²	201	146.5 Å²	146.5	94%	0.939	80%	0.802	S	S	*	*			trans	-135.3	132.4	149.3	-76.8	-169.9	158.4	0	0	108.7
257	Q	29.2	Very low	29.5	Very low	174 Å²	174	148 Å²	148	81%	0.813	80%	0.798	S	S	*	*			trans	-124.4	177.1	172.4	-111.9	-167.9	16.4	0	0	105.6
258	P	34.6	Very low	29.4	Very low	96 Å²	96	143.9 Å²	143.9	62%	0.623	79%	0.793	S	S	*	*			cis	-139.2	-171.1	-14	27.7	-3.6	0	0	0	112.5
259	Q	29.8	Very low	29.4	Very low	178 Å²	178	149 Å²	149	83%	0.832	80%	0.795	S	S	*	*			trans	134.8	110.3	136.7	-70.3	-174	8.2	0	0	113.6
260	S	34.4	Very low	29.2	Very low	106 Å²	106	150.7 Å²	150.7	74%	0.741	79%	0.793	S	S	*	*				161.9	120.8	107.9	65.4	0	0	0	0	112.6
261	N	30.8	Very low	29	Very low	153 Å²	153	149 Å²	149	82%	0.818	80%	0.795	S	S	*	*			trans	45.7	119.1	139.4	-55.3	-15.8	0	0	0	120.9
262	V	34.3	Very low	28.9	Very low	149 Å²	149	148.7 Å²	148.7	90%	0.903	80%	0.801	S	S	*	*				-163.6	136.5	110.7	170.6	0	0	0	0	109.1
263	S	28.2	Very low	28.7	Very low	111 Å²	111	149.4 Å²	149.4	78%	0.776	80%	0.803	S	S	*	*			trans	-94.7	137.8	-174.1	-34.4	0	0	0	0	112.5
264	S	32.3	Very low	28.6	Very low	111 Å²	111	151.9 Å²	151.9	78%	0.776	81%	0.812	S	S	*	*			trans	-169	106.3	141.6	61.1	0	0	0	0	113.3
265	V	29.8	Very low	28.5	Very low	120 Å²	120	154.7 Å²	154.7	73%	0.727	82%	0.815	S	S	*	*			trans	42.1	110.8	130.2	-168.2	0	0	0	0	119.5
266	F	30.6	Very low	28.4	Very low	198 Å²	198	152.4 Å²	152.4	87%	0.868	81%	0.809	S	S	*	*				174.4	146.4	123.4	-91.3	-72.2	0	0	0	110.6
267	P	31.2	Very low	28.2	Very low	110 Å²	110	151.8 Å²	151.8	71%	0.714	80%	0.803	S	S	*	*			trans	-92	177.6	-163.3	41.1	-36.3	0	0	0	113.7
268	P	29.5	Very low	28.3	Very low	130 Å²	130	148 Å²	148	84%	0.844	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-85.3	134.2	-140.2	34.8	-34.4	0	0	0	114.5
269	E	27.5	Very low	28.3	Very low	186 Å²	186	148 Å²	148	87%	0.869	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-103.7	152	169.8	-108	-167.8	152.3	0	0	111.9
270	P	25.2	Very low	29.5	Very low	110 Å²	110	144.7 Å²	144.7	71%	0.714	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-74.3	144.6	-153.5	30.6	-34.3	0	0	0	112.4	L272	P270-L272 PolarHBondContact O-N 2.88Å
271	Q	23.6	Very low	30.5	Very low	193 Å²	193	140.4 Å²	140.4	90%	0.902	76%	0.755	S	S	*	*			trans	-50	103.3	174.5	-65.2	-169	-9.9	0	0	111.3	R273	Q271-R273 VanDerWaalsContact C-N 3.35Å; Q271-R273 PolarHBondContact O-N 3.41Å
272	L	24.1	Very low	31.7	Very low	172 Å²	172	135.1 Å²	135.1	90%	0.901	73%	0.726	S	S	*	*			trans	-62.5	98	166.2	-82.5	161.6	0	0	0	108	P270 L274	P270-L272 PolarHBondContact O-N 2.88Å; L272-L274 PolarHBondContact O-N 3.33Å; L272-L274 VanDerWaalsContact O-N 3.09Å
273	R	22.5	Very low	32.9	Very low	234 Å²	234	132.3 Å²	132.3	88%	0.883	70%	0.7	S	S	*	*			trans	-46.1	117.2	165.4	-75.6	-178.7	-178.9	177.1	1.1	108.3	Q271 R275	Q271-R273 VanDerWaalsContact C-N 3.35Å; Q271-R273 PolarHBondContact O-N 3.41Å; R273-R275 VanDerWaalsContact C-N 3.27Å; R273-R275 PolarHBondContact O-N 3.2Å
274	L	22.6	Very low	34.1	Very low	172 Å²	172	130.4 Å²	130.4	90%	0.901	68%	0.681	S	S	*	*			trans	-51.3	92.8	163.8	-86.2	146.4	0	0	0	108.5	L272 A276	L272-L274 PolarHBondContact O-N 3.33Å; L272-L274 VanDerWaalsContact O-N 3.09Å; L274-A276 PolarHBondContact O-N 2.75Å
275	R	22.8	Very low	35.1	Very low	227 Å²	227	130 Å²	130	86%	0.857	67%	0.669	S	S	*	*			trans	-61.3	109.3	162.5	-87.5	-176.2	171.7	175.2	-1.4	105.5	R273 F277	R273-R275 VanDerWaalsContact C-N 3.27Å; R273-R275 PolarHBondContact O-N 3.2Å; R275-F277 WeakPolarHBondContact O-CD2 3.31Å; R275-F277 PolarHBondContact O-N 2.74Å
276	A	25	Very low	36.2	Very low	70 Å²	70	124.5 Å²	124.5	58%	0.579	64%	0.636	S	S	*	*			trans	-53.6	105.5	178.5	0	0	0	0	0	109.4	L274 T278 L285	L274-A276 PolarHBondContact O-N 2.75Å; A276-T278 PolarHBondContact O-N 2.85Å; A276-T278 VanDerWaalsContact O-N 3.09Å; A276-L285 HydrophobicContact CB-CD1 4.26Å
277	F	24.3	Very low	37	Very low	187 Å²	187	123.6 Å²	123.6	82%	0.82	63%	0.632	S	S	*	*			trans	-66.9	104.6	164.8	-75.7	-88.5	0	0	0	107.2	R275 L279	R275-F277 WeakPolarHBondContact O-CD2 3.31Å; R275-F277 PolarHBondContact O-N 2.74Å; F277-L279 PolarHBondContact O-N 2.76Å; F277-L279 VanDerWaalsContact O-N 3.15Å
278	T	31.6	Very low	37.5	Very low	94 Å²	94	121.7 Å²	121.7	58%	0.577	63%	0.626	S	S	*	*			trans	-66.7	107.2	161.6	40.3	0	0	0	0	106.9	A276 S280	A276-T278 PolarHBondContact O-N 2.85Å; A276-T278 VanDerWaalsContact O-N 3.09Å; T278-S280 PolarHBondContact O-N 3.31Å
279	L	35.3	Very low	38.3	Very low	97 Å²	97	117.1 Å²	117.1	51%	0.508	60%	0.602	S	S	.	*			trans	-52.8	114.2	160.5	-83.1	162.5	0	0	0	105.7	F277 G281 I282 I284	F277-L279 PolarHBondContact O-N 2.76Å; F277-L279 VanDerWaalsContact O-N 3.15Å; L279-G281 PolarHBondContact O-N 2.79Å; L279-I282 PolarHBondContact O-N 3.19Å; L279-I284 HydrophobicContact CB-CD1 4.48Å; L279-I284 HydrophobicContact CD1-CD1 3.96Å; L279-I284 HydrophobicContact CG-CD1 4.28Å
280	S	53	Low	38.9	Very low	108 Å²	108	120 Å²	120	76%	0.755	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50	110.3	-166.4	53	0	0	0	0	111.1	T278	T278-S280 PolarHBondContact O-N 3.31Å
281	G	55.6	Low	39.7	Very low	16 Å²	16	119.3 Å²	119.3	17%	0.165	60%	0.595	C	S	.	*	T	Hydrogen-bonded Turn	trans	100	-1	-178.6	0	0	0	0	0	116.4	L279 P299 T300 T303	L279-G281 PolarHBondContact O-N 2.79Å; G281-P299 WeakPolarHBondContact O-CA 3.27Å; G281-T300 PolarHBondContact O-N 3.16Å; G281-T300 PolarHBondContact O-OG1 3.41Å; G281-T303 WeakPolarHBondContact CA-OG1 3.34Å; G281-T303 WeakPolarHBondContact O-CB 3.39Å; G281-T303 PolarHBondContact O-OG1 2.87Å
282	I	57.3	Low	40.6	Very low	42 Å²	42	115.7 Å²	115.7	22%	0.215	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.9	128.8	178.4	-43	-178.2	0	0	0	111.2	L279 P297 R298	L279-I282 PolarHBondContact O-N 3.19Å; I282-P297 HydrophobicContact CB-CB 4.43Å; I282-P297 HydrophobicContact CG2-CB 3.35Å; I282-P297 HydrophobicContact CG2-CG 3.96Å; I282-P297 WeakPolarHBondContact CG2-O 3.37Å; I282-R298 CarbonylContact C-O 3.55Å; I282-R298 WeakPolarHBondContact CA-O 3.49Å; I282-R298 VanDerWaalsContact CG2-C 3.43Å; I282-R298 VanDerWaalsContact CG2-N 3.31Å; I282-R298 VanDerWaalsContact CG2-O 3.22Å; I282-R298 WeakPolarHBondContact CG2-O 3.43Å
283	Y	58.9	Low	41.5	Very low	91 Å²	91	115 Å²	115	36%	0.357	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.1	104	175.1	-160.3	-103.5	0	0	0	110.1	L285 A286 R298	Y283-L285 VanDerWaalsContact C-N 3.33Å; Y283-L285 HydrophobicContact CD1-CB 4.36Å; Y283-L285 HydrophobicContact CE1-CB 3.77Å; Y283-A286 HydrophobicContact CD1-CB 3.87Å; Y283-R298 PolarHBondContact N-O 2.85Å; Y283-R298 PolarHBondContact O-N 3.16Å
284	I	53	Low	42.3	Very low	70 Å²	70	110.7 Å²	110.7	36%	0.359	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-27.4	-174.8	-53.6	171	0	0	0	111.4	L279 A286 P297	L279-I284 HydrophobicContact CB-CD1 4.48Å; L279-I284 HydrophobicContact CD1-CD1 3.96Å; L279-I284 HydrophobicContact CG-CD1 4.28Å; I284-A286 VanDerWaalsContact C-N 3.29Å; I284-A286 PolarHBondContact O-N 3.26Å; I284-P297 HydrophobicContact CB-CB 4.37Å; I284-P297 HydrophobicContact CG1-CB 3.99Å
285	L	53	Low	43.4	Very low	103 Å²	103	107.5 Å²	107.5	54%	0.539	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	12.5	-177.5	-60.4	176.2	0	0	0	113.5	A276 Y283 K287	A276-L285 HydrophobicContact CB-CD1 4.26Å; Y283-L285 VanDerWaalsContact C-N 3.33Å; Y283-L285 HydrophobicContact CD1-CB 4.36Å; Y283-L285 HydrophobicContact CE1-CB 3.77Å; L285-K287 PolarHBondContact O-N 2.9Å
286	A	54	Low	44.7	Very low	4 Å²	4	97.8 Å²	97.8	3%	0.033	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-67.2	120.5	-177.8	0	0	0	0	0	110.8	L67 Y283 I284 A288 R298	L67-A286 HydrophobicContact CD1-CB 4.28Å; L67-A286 HydrophobicContact CD2-CB 3.85Å; Y283-A286 HydrophobicContact CD1-CB 3.87Å; I284-A286 VanDerWaalsContact C-N 3.29Å; I284-A286 PolarHBondContact O-N 3.26Å; A286-A288 PolarHBondContact O-N 3.1Å; A286-R298 HydrophobicContact CB-CB 3.91Å; A286-R298 HydrophobicContact CB-CG 3.73Å
287	K	46.7	Very low	46.1	Very low	180 Å²	180	97 Å²	97	78%	0.783	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-55.1	137.9	176.5	-70	-174.1	178.2	-178.6	0	111.3	L285 R298	L285-K287 PolarHBondContact O-N 2.9Å; K287-R298 PolarHBondContact O-NH1 3.35Å; K287-R298 PolarHBondContact O-NH2 3.42Å
288	A	41	Very low	47.7	Very low	70 Å²	70	89.6 Å²	89.6	58%	0.579	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-48	150.6	179.2	0	0	0	0	0	113.4	A286	A286-A288 PolarHBondContact O-N 3.1Å
289	G	47.8	Very low	49.3	Very low	33 Å²	33	86.8 Å²	86.8	34%	0.34	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-151.7	159	-179.6	0	0	0	0	0	107.4	N291 W292	G289-N291 PolarHBondContact O-N 3.46Å; G289-W292 CarbonylContact O-C 3.5Å; G289-W292 PolarHBondContact O-N 3.35Å
290	W	39.8	Very low	50.8	Low	247 Å²	247	82.6 Å²	82.6	94%	0.936	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-26.8	-168.2	-65.5	74.4	0	0	0	114.8
291	N	42.5	Very low	51.4	Low	95 Å²	95	78.4 Å²	78.4	51%	0.508	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-3.9	-178.2	-63.9	-3.3	0	0	0	114.8	H143 G289	H143-N291 PolarHBondContact ND1-ND2 3.23Å; G289-N291 PolarHBondContact O-N 3.46Å
292	W	40.9	Very low	52.1	Low	118 Å²	118	79 Å²	79	45%	0.447	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-132.3	91.5	-176.7	-72.7	94.6	0	0	0	108.8	G289 Y294 S296 R298	G289-W292 CarbonylContact O-C 3.5Å; G289-W292 PolarHBondContact O-N 3.35Å; W292-Y294 PolarHBondContact O-N 3.33Å; W292-S296 WeakPolarHBondContact CB-OG 3.5Å; W292-R298 HydrophobicContact CD2-CG 4.27Å; W292-R298 HydrophobicContact CE3-CG 4.48Å; W292-R298 HydrophobicContact CG-CG 4.3Å
293	L	43.2	Very low	52.6	Low	157 Å²	157	79 Å²	79	82%	0.822	40%	0.399	S	S	*	.			trans	-65.6	123.3	178.6	-71.6	157.1	0	0	0	109.7	S296	L293-S296 WeakPolarHBondContact O-CB 3.37Å; L293-S296 PolarHBondContact O-N 3.07Å; L293-S296 PolarHBondContact O-OG 3.29Å; L293-S296 VanDerWaalsContact O-OG 3.09Å
294	Y	39.3	Very low	53.1	Low	143 Å²	143	76.4 Å²	76.4	56%	0.561	39%	0.393	S	S	*	.	S	Bend	trans	-68.2	142.4	177.9	-168.2	-96.8	0	0	0	111	W292	W292-Y294 PolarHBondContact O-N 3.33Å
295	P	47.4	Very low	53.9	Low	105 Å²	105	73.7 Å²	73.7	68%	0.682	38%	0.378	S	S	*	.	S	Bend	cis	-91.4	88.7	-2	34.3	-29.4	0	0	0	111.7
296	S	48.2	Very low	54.7	Low	23 Å²	23	73.1 Å²	73.1	16%	0.161	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-99.4	120.6	168.6	65.2	0	0	0	0	109.7	W292 L293	W292-S296 WeakPolarHBondContact CB-OG 3.5Å; L293-S296 WeakPolarHBondContact O-CB 3.37Å; L293-S296 PolarHBondContact O-N 3.07Å; L293-S296 PolarHBondContact O-OG 3.29Å; L293-S296 VanDerWaalsContact O-OG 3.09Å
297	P	55.9	Low	55.4	Low	53 Å²	53	76.5 Å²	76.5	34%	0.344	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-71.7	135.5	178	38.8	-40.8	0	0	0	108.1	I282 I284	I282-P297 HydrophobicContact CB-CB 4.43Å; I282-P297 HydrophobicContact CG2-CB 3.35Å; I282-P297 HydrophobicContact CG2-CG 3.96Å; I282-P297 WeakPolarHBondContact CG2-O 3.37Å; I284-P297 HydrophobicContact CB-CB 4.37Å; I284-P297 HydrophobicContact CG1-CB 3.99Å
298	R	57.4	Low	56.4	Low	33 Å²	33	69.7 Å²	69.7	13%	0.125	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.4	-172.7	-69.3	-166.2	-174.8	154.5	5.6	113.5	L67 I282 Y283 A286 K287 W292	L67-R298 HydrophobicContact CD2-CB 3.53Å; L67-R298 HydrophobicContact CD2-CG 4.36Å; I282-R298 CarbonylContact C-O 3.55Å; I282-R298 WeakPolarHBondContact CA-O 3.49Å; I282-R298 VanDerWaalsContact CG2-C 3.43Å; I282-R298 VanDerWaalsContact CG2-N 3.31Å; I282-R298 VanDerWaalsContact CG2-O 3.22Å; I282-R298 WeakPolarHBondContact CG2-O 3.43Å; Y283-R298 PolarHBondContact N-O 2.85Å; Y283-R298 PolarHBondContact O-N 3.16Å; A286-R298 HydrophobicContact CB-CB 3.91Å; A286-R298 HydrophobicContact CB-CG 3.73Å; K287-R298 PolarHBondContact O-NH1 3.35Å; K287-R298 PolarHBondContact O-NH2 3.42Å; W292-R298 HydrophobicContact CD2-CG 4.27Å; W292-R298 HydrophobicContact CE3-CG 4.48Å; W292-R298 HydrophobicContact CG-CG 4.3Å
299	P	64.2	Low	57.8	Low	34 Å²	34	66.6 Å²	66.6	22%	0.221	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.2	179.2	28.4	-34.9	0	0	0	111.3	G68 G281 T303	G68-P299 PolarHBondContact N-O 2.86Å; G68-P299 VanDerWaalsContact N-O 3.13Å; G281-P299 WeakPolarHBondContact O-CA 3.27Å; P299-T303 HydrophobicContact CB-CG2 3.85Å
300	T	67.3	Low	58.9	Low	10 Å²	10	71 Å²	71	6%	0.061	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-69.4	165.3	170.2	62.1	0	0	0	0	110.9	G66 G281 Q302 T303 C304	G66-T300 CarbonylContact O-C 3.57Å; G66-T300 WeakPolarHBondContact O-CA 3.25Å; G281-T300 PolarHBondContact O-N 3.16Å; G281-T300 PolarHBondContact O-OG1 3.41Å; T300-Q302 PolarHBondContact O-N 2.9Å; T300-T303 PolarHBondContact O-N 3.09Å; T300-T303 VanDerWaalsContact O-N 3.11Å; T300-T303 PolarHBondContact OG1-N 2.76Å; T300-T303 PolarHBondContact OG1-OG1 3.25Å; T300-C304 PolarHBondContact O-N 3.47Å; T300-C304 PolarHBondContact O-SG 3.47Å; T300-C304 VanDerWaalsContact O-SG 3.38Å
301	V	66.7	Low	60.3	Low	20 Å²	20	66.4 Å²	66.4	12%	0.121	33%	0.331	C	S	.	.	H	α-helix	trans	-54.7	-44.7	172.6	170	0	0	0	0	110	V62 W63 G66 L67 T303 C304 W305	V62-V301 VanDerWaalsContact O-CG2 3.31Å; V62-V301 WeakPolarHBondContact O-CG2 3.45Å; W63-V301 VanDerWaalsContact CD1-CG1 3.49Å; W63-V301 HydrophobicContact CG-CG1 4.09Å; W63-V301 VanDerWaalsContact O-CB 3.31Å; W63-V301 WeakPolarHBondContact O-CB 3.42Å; G66-V301 PolarHBondContact O-N 2.97Å; L67-V301 WeakPolarHBondContact O-CG2 3.27Å; V301-T303 VanDerWaalsContact C-N 3.32Å; V301-T303 PolarHBondContact O-N 2.91Å; V301-C304 PolarHBondContact O-N 3.2Å; V301-W305 VanDerWaalsContact O-CB 3.22Å; V301-W305 WeakPolarHBondContact O-CB 3.33Å; V301-W305 PolarHBondContact O-N 3.35Å
302	Q	69	Low	61.7	Low	28 Å²	28	62.6 Å²	62.6	13%	0.131	31%	0.312	C	S	.	.	H	α-helix	trans	-56.6	-42.8	175	-175.8	175.9	26.3	0	0	112.7	E51 W63 T300 W305 R306	E51-Q302 WeakPolarHBondContact OE1-CG 3.48Å; E51-Q302 PolarHBondContact OE1-NE2 3.11Å; W63-Q302 HydrophobicContact CZ3-CG 4.39Å; W63-Q302 WeakPolarHBondContact O-CB 3.45Å; W63-Q302 PolarHBondContact O-N 3.02Å; T300-Q302 PolarHBondContact O-N 2.9Å; Q302-W305 VanDerWaalsContact O-CB 3.3Å; Q302-W305 WeakPolarHBondContact O-CB 3.25Å; Q302-W305 PolarHBondContact O-N 3.29Å; Q302-R306 WeakPolarHBondContact O-CG 3.45Å; Q302-R306 PolarHBondContact O-N 2.93Å
303	T	69.2	Low	63.3	Low	43 Å²	43	64.9 Å²	64.9	26%	0.264	33%	0.332	S	S	.	.	H	α-helix	trans	-67.5	-44.4	178.1	-58.5	0	0	0	0	111.9	G281 P299 T300 V301 W305 R306 L307	G281-T303 WeakPolarHBondContact CA-OG1 3.34Å; G281-T303 WeakPolarHBondContact O-CB 3.39Å; G281-T303 PolarHBondContact O-OG1 2.87Å; P299-T303 HydrophobicContact CB-CG2 3.85Å; T300-T303 PolarHBondContact O-N 3.09Å; T300-T303 VanDerWaalsContact O-N 3.11Å; T300-T303 PolarHBondContact OG1-N 2.76Å; T300-T303 PolarHBondContact OG1-OG1 3.25Å; V301-T303 VanDerWaalsContact C-N 3.32Å; V301-T303 PolarHBondContact O-N 2.91Å; T303-W305 PolarHBondContact O-N 3.2Å; T303-R306 PolarHBondContact O-N 3Å; T303-L307 WeakPolarHBondContact O-CB 3.42Å; T303-L307 PolarHBondContact O-N 3.16Å
304	C	67.8	Low	64.8	Low	35 Å²	35	59.8 Å²	59.8	24%	0.236	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-36.3	175	-64.5	0	0	0	0	111.2	T300 V301 L307 A308	T300-C304 PolarHBondContact O-N 3.47Å; T300-C304 PolarHBondContact O-SG 3.47Å; T300-C304 VanDerWaalsContact O-SG 3.38Å; V301-C304 PolarHBondContact O-N 3.2Å; C304-L307 PolarHBondContact O-N 2.9Å; C304-A308 VanDerWaalsContact O-CB 3.31Å; C304-A308 WeakPolarHBondContact O-CB 3.31Å; C304-A308 PolarHBondContact O-N 3.28Å
305	W	71.4	Confident	66.4	Low	14 Å²	14	57 Å²	57	5%	0.053	30%	0.304	C	S	.	.	H	α-helix	trans	-63.6	-48.9	176.3	-174.4	-98.8	0	0	0	112.9	W63 V301 Q302 T303 L307 A308 T309 L321 V325	W63-W305 HydrophobicContact CZ2-CB 4.27Å; W63-W305 AromaticContact CZ2-CD1 3.47Å; W63-W305 VanDerWaalsContact CZ2-CD1 3.47Å; W63-W305 HydrophobicContact CZ2-CD2 4.05Å; W63-W305 AromaticContact CZ2-CG 3.65Å; W63-W305 HydrophobicContact CZ2-CG 3.65Å; W63-W305 AromaticContact CZ2-NE1 3.74Å; V301-W305 VanDerWaalsContact O-CB 3.22Å; V301-W305 WeakPolarHBondContact O-CB 3.33Å; V301-W305 PolarHBondContact O-N 3.35Å; Q302-W305 VanDerWaalsContact O-CB 3.3Å; Q302-W305 WeakPolarHBondContact O-CB 3.25Å; Q302-W305 PolarHBondContact O-N 3.29Å; T303-W305 PolarHBondContact O-N 3.2Å; W305-L307 VanDerWaalsContact C-N 3.32Å; W305-L307 PolarHBondContact O-N 3.25Å; W305-A308 PolarHBondContact O-N 3.49Å; W305-T309 WeakPolarHBondContact O-CB 3.5Å; W305-T309 PolarHBondContact O-N 2.64Å; W305-T309 PolarHBondContact O-OG1 3.09Å; W305-L321 HydrophobicContact CE3-CD2 4.31Å; W305-L321 HydrophobicContact CH2-CB 3.47Å; W305-L321 VanDerWaalsContact CH2-CB 3.47Å; W305-L321 HydrophobicContact CH2-CD2 3.59Å; W305-L321 HydrophobicContact CH2-CG 4.12Å; W305-L321 WeakPolarHBondContact CH2-O 3.46Å; W305-L321 HydrophobicContact CZ2-CB 3.51Å; W305-L321 HydrophobicContact CZ2-CD2 4.32Å; W305-L321 HydrophobicContact CZ2-CG 4.46Å; W305-L321 WeakPolarHBondContact CZ2-O 3.29Å; W305-L321 HydrophobicContact CZ3-CB 4.32Å; W305-L321 HydrophobicContact CZ3-CD2 3.58Å; W305-V325 HydrophobicContact CD2-CG2 4.12Å; W305-V325 HydrophobicContact CE3-CG2 4.39Å; W305-V325 HydrophobicContact CH2-CG2 3.51Å; W305-V325 HydrophobicContact CZ2-CB 4.21Å; W305-V325 HydrophobicContact CZ2-CG2 3.21Å; W305-V325 HydrophobicContact CZ3-CG2 4.12Å
306	R	69.7	Low	67.4	Low	90 Å²	90	59.4 Å²	59.4	34%	0.34	31%	0.306	S	S	.	.	H	α-helix	trans	-58.8	-46.9	176	-74.7	174	-179.7	-170.8	-3.8	110.9	E51 Q302 T303 A308 T309 Q310	E51-R306 IonicContact OE1-CZ 3.64Å; E51-R306 VanDerWaalsContact OE1-CZ 3.26Å; E51-R306 IonicContact OE1-NE 3.46Å; E51-R306 PolarHBondContact OE1-NE 2.91Å; E51-R306 IonicContact OE1-NH2 2.76Å; E51-R306 PolarHBondContact OE1-NH2 3.37Å; E51-R306 VanDerWaalsContact OE2-CG 3.25Å; E51-R306 WeakPolarHBondContact OE2-CG 3.42Å; E51-R306 IonicContact OE2-NE 3.26Å; E51-R306 PolarHBondContact OE2-NE 3.48Å; Q302-R306 WeakPolarHBondContact O-CG 3.45Å; Q302-R306 PolarHBondContact O-N 2.93Å; T303-R306 PolarHBondContact O-N 3Å; R306-A308 VanDerWaalsContact C-N 3.32Å; R306-A308 PolarHBondContact O-N 3.05Å; R306-T309 PolarHBondContact O-N 3.16Å; R306-Q310 WeakPolarHBondContact O-CB 3.48Å; R306-Q310 WeakPolarHBondContact O-CG 3.35Å; R306-Q310 PolarHBondContact O-N 3.17Å
307	L	67.5	Low	68.5	Low	75 Å²	75	60.1 Å²	60.1	39%	0.393	31%	0.31	S	S	.	.	H	α-helix	trans	-61.6	-41.4	177.3	-171.4	69.9	0	0	0	111.6	T303 C304 W305 Q310 R311	T303-L307 WeakPolarHBondContact O-CB 3.42Å; T303-L307 PolarHBondContact O-N 3.16Å; C304-L307 PolarHBondContact O-N 2.9Å; W305-L307 VanDerWaalsContact C-N 3.32Å; W305-L307 PolarHBondContact O-N 3.25Å; L307-Q310 PolarHBondContact O-N 3.19Å; L307-R311 VanDerWaalsContact O-CB 3.32Å; L307-R311 WeakPolarHBondContact O-CB 3.35Å; L307-R311 VanDerWaalsContact O-CG 3.26Å; L307-R311 WeakPolarHBondContact O-CG 3.43Å; L307-R311 PolarHBondContact O-N 2.96Å
308	A	67.4	Low	69.2	Low	37 Å²	37	57.6 Å²	57.6	31%	0.306	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-44.7	176.3	0	0	0	0	0	111.4	C304 W305 R306 Q310 R311 T312 L321	C304-A308 VanDerWaalsContact O-CB 3.31Å; C304-A308 WeakPolarHBondContact O-CB 3.31Å; C304-A308 PolarHBondContact O-N 3.28Å; W305-A308 PolarHBondContact O-N 3.49Å; R306-A308 VanDerWaalsContact C-N 3.32Å; R306-A308 PolarHBondContact O-N 3.05Å; A308-Q310 VanDerWaalsContact C-N 3.34Å; A308-Q310 PolarHBondContact O-N 3.34Å; A308-R311 CarbonylContact O-C 3.51Å; A308-R311 PolarHBondContact O-N 3.01Å; A308-T312 VanDerWaalsContact O-CG2 3.27Å; A308-T312 WeakPolarHBondContact O-CG2 3.37Å; A308-T312 PolarHBondContact O-N 3.47Å; A308-L321 HydrophobicContact CB-CD1 4.36Å
309	T	71.3	Confident	69.7	Low	5 Å²	5	57.2 Å²	57.2	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-44.8	177.3	-55.2	0	0	0	0	110.8	I44 W305 R306 R311 T312	I44-T309 WeakPolarHBondContact CD1-O 3.43Å; I44-T309 HydrophobicContact CG2-CG2 4.35Å; W305-T309 WeakPolarHBondContact O-CB 3.5Å; W305-T309 PolarHBondContact O-N 2.64Å; W305-T309 PolarHBondContact O-OG1 3.09Å; R306-T309 PolarHBondContact O-N 3.16Å; T309-R311 PolarHBondContact O-N 2.93Å; T309-T312 PolarHBondContact O-N 3.05Å; T309-T312 PolarHBondContact O-OG1 3.09Å
310	Q	70.3	Confident	69.8	Low	127 Å²	127	59.8 Å²	59.8	59%	0.593	31%	0.306	S	S	*	.	H	α-helix	trans	-67.8	-31.8	177.6	-72.6	175.6	-15.4	0	0	113.7	I44 R306 L307 A308 T312	I44-Q310 HydrophobicContact CG2-CG 4.35Å; R306-Q310 WeakPolarHBondContact O-CB 3.48Å; R306-Q310 WeakPolarHBondContact O-CG 3.35Å; R306-Q310 PolarHBondContact O-N 3.17Å; L307-Q310 PolarHBondContact O-N 3.19Å; A308-Q310 VanDerWaalsContact C-N 3.34Å; A308-Q310 PolarHBondContact O-N 3.34Å; Q310-T312 VanDerWaalsContact C-N 3.34Å
311	R	70.6	Confident	69.9	Low	149 Å²	149	60.3 Å²	60.3	56%	0.562	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	1.2	179.2	-70.6	-179.6	175.3	-177.3	-2.2	113.7	L307 A308 T309 L313	L307-R311 VanDerWaalsContact O-CB 3.32Å; L307-R311 WeakPolarHBondContact O-CB 3.35Å; L307-R311 VanDerWaalsContact O-CG 3.26Å; L307-R311 WeakPolarHBondContact O-CG 3.43Å; L307-R311 PolarHBondContact O-N 2.96Å; A308-R311 CarbonylContact O-C 3.51Å; A308-R311 PolarHBondContact O-N 3.01Å; T309-R311 PolarHBondContact O-N 2.93Å; R311-L313 PolarHBondContact O-N 3.19Å
312	T	71.4	Confident	70.1	Confident	15 Å²	15	59.4 Å²	59.4	9%	0.092	30%	0.303	C	S	.	.			trans	-62.2	138.4	176.2	52.7	0	0	0	0	110.6	L40 I44 A308 T309 Q310 S317 V318 L321	L40-T312 WeakPolarHBondContact CD2-O 2.85Å; I44-T312 WeakPolarHBondContact CD1-OG1 3.48Å; A308-T312 VanDerWaalsContact O-CG2 3.27Å; A308-T312 WeakPolarHBondContact O-CG2 3.37Å; A308-T312 PolarHBondContact O-N 3.47Å; T309-T312 PolarHBondContact O-N 3.05Å; T309-T312 PolarHBondContact O-OG1 3.09Å; Q310-T312 VanDerWaalsContact C-N 3.34Å; T312-S317 VanDerWaalsContact CB-OG 3.25Å; T312-S317 WeakPolarHBondContact CB-OG 3.03Å; T312-S317 WeakPolarHBondContact CG2-OG 3.39Å; T312-V318 HydrophobicContact CG2-CG2 3.84Å; T312-V318 WeakPolarHBondContact OG1-CG2 3.16Å; T312-L321 HydrophobicContact CG2-CD1 3.41Å; T312-L321 VanDerWaalsContact CG2-CD1 3.41Å
313	L	74.1	Confident	69.9	Low	166 Å²	166	64.8 Å²	64.8	87%	0.869	33%	0.326	S	S	*	.			trans	-105.9	-4.2	179.9	-58.8	178.4	0	0	0	112.3	R311	R311-L313 PolarHBondContact O-N 3.19Å
314	S	75.8	Confident	69.6	Low	51 Å²	51	63.7 Å²	63.7	36%	0.357	32%	0.318	S	S	.	.	S	Bend	trans	-144.4	146.2	-178.4	74.9	0	0	0	0	112.6	H316 S317 V318	S314-H316 PolarHBondContact O-N 3.02Å; S314-S317 PolarHBondContact N-OG 2.9Å; S314-S317 PolarHBondContact O-N 2.96Å; S314-S317 PolarHBondContact O-OG 3.47Å; S314-S317 WeakPolarHBondContact OG-CB 3.43Å; S314-S317 PolarHBondContact OG-N 3.49Å; S314-S317 VanDerWaalsContact OG-N 3.11Å; S314-S317 PolarHBondContact OG-OG 3.25Å; S314-V318 PolarHBondContact O-N 3.21Å
315	L	71.9	Confident	69.4	Low	83 Å²	83	62.5 Å²	62.5	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-57.3	-34	174	-67.9	169.2	0	0	0	112	L40 L43 V318 A319	L40-L315 HydrophobicContact CB-CD2 4.4Å; L40-L315 HydrophobicContact CD1-CD2 3.8Å; L40-L315 HydrophobicContact CD1-CG 4.25Å; L43-L315 HydrophobicContact CB-CD2 4.41Å; L43-L315 HydrophobicContact CD2-CD2 3.43Å; L43-L315 VanDerWaalsContact CD2-CD2 3.43Å; L315-V318 PolarHBondContact O-N 2.95Å; L315-A319 WeakPolarHBondContact O-CB 3.45Å; L315-A319 PolarHBondContact O-N 3.5Å
316	H	69.3	Low	68.9	Low	157 Å²	157	63 Å²	63	73%	0.727	31%	0.312	S	S	*	.	H	α-helix	trans	-65.6	-39.4	176.2	-67.3	-69.3	0	0	0	112.6	S314 A319 F320	S314-H316 PolarHBondContact O-N 3.02Å; H316-A319 WeakPolarHBondContact O-CB 3.34Å; H316-A319 PolarHBondContact O-N 3.16Å; H316-F320 WeakPolarHBondContact O-CB 3.43Å; H316-F320 PolarHBondContact O-N 2.87Å
317	S	70.6	Confident	68.5	Low	37 Å²	37	64 Å²	64	26%	0.259	33%	0.328	S	S	.	.	H	α-helix	trans	-66.9	-40.2	177	64.8	0	0	0	0	111.8	T312 S314 A319 F320 L321	T312-S317 VanDerWaalsContact CB-OG 3.25Å; T312-S317 WeakPolarHBondContact CB-OG 3.03Å; T312-S317 WeakPolarHBondContact CG2-OG 3.39Å; S314-S317 PolarHBondContact N-OG 2.9Å; S314-S317 PolarHBondContact O-N 2.96Å; S314-S317 PolarHBondContact O-OG 3.47Å; S314-S317 WeakPolarHBondContact OG-CB 3.43Å; S314-S317 PolarHBondContact OG-N 3.49Å; S314-S317 VanDerWaalsContact OG-N 3.11Å; S314-S317 PolarHBondContact OG-OG 3.25Å; S317-A319 VanDerWaalsContact C-N 3.33Å; S317-A319 PolarHBondContact O-N 2.93Å; S317-F320 PolarHBondContact O-N 3.25Å; S317-L321 WeakPolarHBondContact O-CB 3.33Å; S317-L321 VanDerWaalsContact O-CG 3.27Å; S317-L321 WeakPolarHBondContact O-CG 3.4Å; S317-L321 PolarHBondContact O-N 2.92Å
318	V	70.3	Confident	68	Low	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-44.7	171.8	177.2	0	0	0	0	110.9	L40 L43 I44 L47 T312 S314 L315 F320 L321 W322	L40-V318 HydrophobicContact CD1-CG2 3.67Å; L43-V318 HydrophobicContact CD2-CG1 4.06Å; I44-V318 HydrophobicContact CG1-CG2 4.18Å; L47-V318 HydrophobicContact CD1-CG1 3.12Å; T312-V318 HydrophobicContact CG2-CG2 3.84Å; T312-V318 WeakPolarHBondContact OG1-CG2 3.16Å; S314-V318 PolarHBondContact O-N 3.21Å; L315-V318 PolarHBondContact O-N 2.95Å; V318-F320 VanDerWaalsContact C-N 3.35Å; V318-F320 PolarHBondContact O-N 2.82Å; V318-L321 PolarHBondContact O-N 3.23Å; V318-W322 WeakPolarHBondContact O-CB 3.38Å; V318-W322 PolarHBondContact O-N 3.17Å
319	A	68.7	Low	67.7	Low	25 Å²	25	63.3 Å²	63.3	21%	0.207	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-46.3	177.7	0	0	0	0	0	112.7	L2 L315 H316 S317 K323	L2-A319 HydrophobicContact CB-CB 4.35Å; L2-A319 HydrophobicContact CD1-CB 3.2Å; L2-A319 HydrophobicContact CG-CB 4.33Å; L315-A319 WeakPolarHBondContact O-CB 3.45Å; L315-A319 PolarHBondContact O-N 3.5Å; H316-A319 WeakPolarHBondContact O-CB 3.34Å; H316-A319 PolarHBondContact O-N 3.16Å; S317-A319 VanDerWaalsContact C-N 3.33Å; S317-A319 PolarHBondContact O-N 2.93Å; A319-K323 WeakPolarHBondContact O-CB 3.35Å; A319-K323 PolarHBondContact O-N 2.76Å
320	F	66.5	Low	67	Low	88 Å²	88	64.6 Å²	64.6	39%	0.386	32%	0.324	S	S	.	.	H	α-helix	trans	-65.9	-45.5	-178.8	-173.5	-93.7	0	0	0	111.3	L72 L135 H316 S317 V318 E324	L72-F320 HydrophobicContact CD2-CE1 4.28Å; L135-F320 HydrophobicContact CD2-CE2 4.3Å; L135-F320 HydrophobicContact CD2-CZ 3.83Å; H316-F320 WeakPolarHBondContact O-CB 3.43Å; H316-F320 PolarHBondContact O-N 2.87Å; S317-F320 PolarHBondContact O-N 3.25Å; V318-F320 VanDerWaalsContact C-N 3.35Å; V318-F320 PolarHBondContact O-N 2.82Å; F320-E324 PolarHBondContact O-N 3.2Å
321	L	69	Low	66.5	Low	21 Å²	21	60.9 Å²	60.9	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-55.6	-63.9	174.2	-74.3	173.3	0	0	0	109.3	W305 A308 T312 S317 V318 K323 E324 V325	W305-L321 HydrophobicContact CE3-CD2 4.31Å; W305-L321 HydrophobicContact CH2-CB 3.47Å; W305-L321 VanDerWaalsContact CH2-CB 3.47Å; W305-L321 HydrophobicContact CH2-CD2 3.59Å; W305-L321 HydrophobicContact CH2-CG 4.12Å; W305-L321 WeakPolarHBondContact CH2-O 3.46Å; W305-L321 HydrophobicContact CZ2-CB 3.51Å; W305-L321 HydrophobicContact CZ2-CD2 4.32Å; W305-L321 HydrophobicContact CZ2-CG 4.46Å; W305-L321 WeakPolarHBondContact CZ2-O 3.29Å; W305-L321 HydrophobicContact CZ3-CB 4.32Å; W305-L321 HydrophobicContact CZ3-CD2 3.58Å; A308-L321 HydrophobicContact CB-CD1 4.36Å; T312-L321 HydrophobicContact CG2-CD1 3.41Å; T312-L321 VanDerWaalsContact CG2-CD1 3.41Å; S317-L321 WeakPolarHBondContact O-CB 3.33Å; S317-L321 VanDerWaalsContact O-CG 3.27Å; S317-L321 WeakPolarHBondContact O-CG 3.4Å; S317-L321 PolarHBondContact O-N 2.92Å; V318-L321 PolarHBondContact O-N 3.23Å; L321-K323 VanDerWaalsContact C-N 3.29Å; L321-K323 PolarHBondContact O-N 3.06Å; L321-E324 WeakPolarHBondContact O-CB 3.29Å; L321-E324 PolarHBondContact O-N 3.36Å; L321-V325 PolarHBondContact O-N 3.16Å
322	W	70.4	Confident	66.1	Low	2 Å²	2	60.4 Å²	60.4	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-38.9	-175.1	-81.1	82.2	0	0	0	112.4	L47 F50 E51 V318 E324 V325 L326	L47-W322 HydrophobicContact CB-CD2 4.44Å; L47-W322 HydrophobicContact CB-CH2 4.41Å; L47-W322 HydrophobicContact CB-CZ2 3.69Å; L47-W322 HydrophobicContact CD1-CD2 4.45Å; L47-W322 HydrophobicContact CD1-CG 4.15Å; L47-W322 HydrophobicContact CD2-CD2 3.88Å; L47-W322 HydrophobicContact CD2-CE3 4.21Å; L47-W322 HydrophobicContact CD2-CG 4.17Å; L47-W322 HydrophobicContact CD2-CZ2 4.42Å; L47-W322 HydrophobicContact CG-CD2 4.49Å; L47-W322 VanDerWaalsContact O-CH2 3.25Å; L47-W322 WeakPolarHBondContact O-CH2 3.4Å; L47-W322 WeakPolarHBondContact O-CZ2 3.24Å; F50-W322 HydrophobicContact CD1-CH2 4.16Å; F50-W322 AromaticContact CD1-CZ3 3.72Å; F50-W322 HydrophobicContact CD1-CZ3 3.72Å; F50-W322 HydrophobicContact CE1-CZ3 4.18Å; E51-W322 HydrophobicContact CB-CH2 3.76Å; E51-W322 HydrophobicContact CB-CZ2 4.33Å; E51-W322 HydrophobicContact CG-CH2 4.02Å; V318-W322 WeakPolarHBondContact O-CB 3.38Å; V318-W322 PolarHBondContact O-N 3.17Å; W322-E324 PolarHBondContact O-N 2.97Å; W322-E324 VanDerWaalsContact O-N 3.15Å; W322-V325 PolarHBondContact O-N 3.17Å; W322-L326 HydrophobicContact CB-CD1 4.13Å; W322-L326 HydrophobicContact CB-CG 4.38Å; W322-L326 HydrophobicContact CE3-CD2 3.85Å; W322-L326 HydrophobicContact CE3-CG 4.16Å; W322-L326 HydrophobicContact CZ3-CD2 4.28Å; W322-L326 VanDerWaalsContact O-CB 3.26Å; W322-L326 WeakPolarHBondContact O-CB 3.32Å; W322-L326 WeakPolarHBondContact O-CG 3.33Å; W322-L326 PolarHBondContact O-N 3.49Å
323	K	65.8	Low	65.6	Low	141 Å²	141	61.4 Å²	61.4	61%	0.613	32%	0.318	S	S	*	.	H	α-helix	trans	-52.6	-40.1	174.3	-174.6	178	-179	-179.2	0	112.9	A319 L321 V325 V327	A319-K323 WeakPolarHBondContact O-CB 3.35Å; A319-K323 PolarHBondContact O-N 2.76Å; L321-K323 VanDerWaalsContact C-N 3.29Å; L321-K323 PolarHBondContact O-N 3.06Å; K323-V325 VanDerWaalsContact C-N 3.34Å; K323-V325 PolarHBondContact O-N 2.93Å; K323-V327 HydrophobicContact CG-CG2 4.09Å; K323-V327 VanDerWaalsContact O-CB 3.27Å; K323-V327 WeakPolarHBondContact O-CB 3.09Å; K323-V327 WeakPolarHBondContact O-CG2 3.34Å; K323-V327 PolarHBondContact O-N 2.89Å
324	E	61.9	Low	65.1	Low	20 Å²	20	57.9 Å²	57.9	9%	0.093	30%	0.296	C	S	.	.	H	α-helix	trans	-62.8	-40.9	176.3	-73.4	-155.7	164.5	0	0	112.9	W140 F320 L321 W322 K328	W140-E324 PolarHBondContact NE1-OE2 2.81Å; F320-E324 PolarHBondContact O-N 3.2Å; L321-E324 WeakPolarHBondContact O-CB 3.29Å; L321-E324 PolarHBondContact O-N 3.36Å; W322-E324 PolarHBondContact O-N 2.97Å; W322-E324 VanDerWaalsContact O-N 3.15Å; E324-K328 VanDerWaalsContact O-CB 3.31Å; E324-K328 WeakPolarHBondContact O-CB 3.38Å; E324-K328 WeakPolarHBondContact O-CD 3.28Å; E324-K328 WeakPolarHBondContact O-CG 3.48Å; E324-K328 IonicContact OE2-NZ 3.85Å
325	V	62.8	Low	64.4	Low	9 Å²	9	57.8 Å²	57.8	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-75.3	-44.6	-178.4	175.8	0	0	0	0	110.3	W63 W305 L321 W322 K323 V327 K328 M329	W63-V325 HydrophobicContact CH2-CG1 3.99Å; W63-V325 HydrophobicContact CZ2-CB 4.26Å; W63-V325 HydrophobicContact CZ2-CG1 3.62Å; W63-V325 HydrophobicContact CZ2-CG2 3.59Å; W305-V325 HydrophobicContact CD2-CG2 4.12Å; W305-V325 HydrophobicContact CE3-CG2 4.39Å; W305-V325 HydrophobicContact CH2-CG2 3.51Å; W305-V325 HydrophobicContact CZ2-CB 4.21Å; W305-V325 HydrophobicContact CZ2-CG2 3.21Å; W305-V325 HydrophobicContact CZ3-CG2 4.12Å; L321-V325 PolarHBondContact O-N 3.16Å; W322-V325 PolarHBondContact O-N 3.17Å; K323-V325 VanDerWaalsContact C-N 3.34Å; K323-V325 PolarHBondContact O-N 2.93Å; V325-V327 PolarHBondContact O-N 2.88Å; V325-K328 CarbonylContact O-C 3.53Å; V325-K328 WeakPolarHBondContact O-CA 3.45Å; V325-K328 PolarHBondContact O-N 3.1Å; V325-M329 HydrophobicContact CG1-CE 3.55Å; V325-M329 HydrophobicContact CG1-CG 4.06Å; V325-M329 HydrophobicContact CG1-SD 4.01Å; V325-M329 WeakPolarHBondContact O-CG 3.35Å; V325-M329 PolarHBondContact O-N 2.92Å
326	L	62.3	Low	64	Low	24 Å²	24	56.8 Å²	56.8	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-37.8	-177.9	-66.7	-176.9	0	0	0	113	L6 L9 F50 W322 K328 M329	L6-L326 HydrophobicContact CD2-CD1 3.72Å; L9-L326 HydrophobicContact CD1-CB 3.92Å; L9-L326 HydrophobicContact CD1-CD1 4.44Å; L9-L326 HydrophobicContact CD1-CD2 3.68Å; L9-L326 HydrophobicContact CD1-CG 4.15Å; L9-L326 HydrophobicContact CD2-CD1 3.67Å; L9-L326 HydrophobicContact CD2-CD2 3.09Å; L9-L326 HydrophobicContact CD2-CG 3.84Å; L9-L326 HydrophobicContact CG-CD1 4.4Å; L9-L326 HydrophobicContact CG-CD2 3.91Å; L9-L326 HydrophobicContact CG-CG 4.49Å; F50-L326 HydrophobicContact CE1-CD2 4.31Å; W322-L326 HydrophobicContact CB-CD1 4.13Å; W322-L326 HydrophobicContact CB-CG 4.38Å; W322-L326 HydrophobicContact CE3-CD2 3.85Å; W322-L326 HydrophobicContact CE3-CG 4.16Å; W322-L326 HydrophobicContact CZ3-CD2 4.28Å; W322-L326 VanDerWaalsContact O-CB 3.26Å; W322-L326 WeakPolarHBondContact O-CB 3.32Å; W322-L326 WeakPolarHBondContact O-CG 3.33Å; W322-L326 PolarHBondContact O-N 3.49Å; L326-K328 PolarHBondContact O-N 3.01Å; L326-M329 HydrophobicContact CD2-SD 3.72Å
327	V	60.5	Low	63.5	Low	112 Å²	112	51.6 Å²	51.6	68%	0.679	26%	0.264	S	S	*	.	H	α-helix	trans	-69.5	-23.7	173.9	172.1	0	0	0	0	111.4	K323 V325	K323-V327 HydrophobicContact CG-CG2 4.09Å; K323-V327 VanDerWaalsContact O-CB 3.27Å; K323-V327 WeakPolarHBondContact O-CB 3.09Å; K323-V327 WeakPolarHBondContact O-CG2 3.34Å; K323-V327 PolarHBondContact O-N 2.89Å; V325-V327 PolarHBondContact O-N 2.88Å
328	K	57.2	Low	62.9	Low	88 Å²	88	53.3 Å²	53.3	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-106.9	-8.5	-172.8	-65.7	175.3	-165.6	166.1	0	114.3	E324 V325 L326 P330	E324-K328 VanDerWaalsContact O-CB 3.31Å; E324-K328 WeakPolarHBondContact O-CB 3.38Å; E324-K328 WeakPolarHBondContact O-CD 3.28Å; E324-K328 WeakPolarHBondContact O-CG 3.48Å; E324-K328 IonicContact OE2-NZ 3.85Å; V325-K328 CarbonylContact O-C 3.53Å; V325-K328 WeakPolarHBondContact O-CA 3.45Å; V325-K328 PolarHBondContact O-N 3.1Å; L326-K328 PolarHBondContact O-N 3.01Å; K328-P330 WeakPolarHBondContact O-CD 3.32Å
329	M	61.6	Low	62.2	Low	10 Å²	10	56 Å²	56	5%	0.049	28%	0.284	C	S	.	.	S	Bend	trans	-65.7	111.9	174.3	-85.1	166.9	162.5	0	0	107.6	F13 V54 L59 V325 L326 L331	F13-M329 HydrophobicContact CZ-SD 3.74Å; V54-M329 HydrophobicContact CG1-CE 3.96Å; L59-M329 HydrophobicContact CD2-CE 3.56Å; L59-M329 HydrophobicContact CD2-CG 4.2Å; V325-M329 HydrophobicContact CG1-CE 3.55Å; V325-M329 HydrophobicContact CG1-CG 4.06Å; V325-M329 HydrophobicContact CG1-SD 4.01Å; V325-M329 WeakPolarHBondContact O-CG 3.35Å; V325-M329 PolarHBondContact O-N 2.92Å; L326-M329 HydrophobicContact CD2-SD 3.72Å; M329-L331 PolarHBondContact O-N 3.24Å
330	P	56.3	Low	61.4	Low	31 Å²	31	62.9 Å²	62.9	20%	0.201	31%	0.312	C	S	.	.			trans	-64	102	173.5	28.4	-39.6	0	0	0	109.2	T58 K328 Q332 H335	T58-P330 WeakPolarHBondContact O-CD 3.38Å; T58-P330 VanDerWaalsContact O-CG 3.31Å; T58-P330 WeakPolarHBondContact O-CG 3.42Å; K328-P330 WeakPolarHBondContact O-CD 3.32Å; P330-Q332 PolarHBondContact O-N 3.19Å; P330-H335 VanDerWaalsContact CB-CE1 3.5Å; P330-H335 WeakPolarHBondContact CB-CE1 3.34Å; P330-H335 VanDerWaalsContact CG-CE1 3.43Å; P330-H335 WeakPolarHBondContact CG-CE1 3.45Å
331	L	60.6	Low	60.7	Low	49 Å²	49	63.4 Å²	63.4	26%	0.257	32%	0.322	S	S	.	.			trans	-72.2	14.2	171.4	-63.1	165.3	0	0	0	112	R12 F13 P14 M329	R12-L331 HydrophobicContact CB-CD1 3.63Å; R12-L331 HydrophobicContact CB-CD2 4.48Å; R12-L331 HydrophobicContact CG-CD1 4.49Å; F13-L331 HydrophobicContact CD1-CD2 3.62Å; F13-L331 HydrophobicContact CD2-CD2 3.93Å; F13-L331 HydrophobicContact CE1-CD2 3.62Å; F13-L331 HydrophobicContact CE2-CD2 3.92Å; F13-L331 HydrophobicContact CG-CD2 3.78Å; F13-L331 HydrophobicContact CZ-CD2 3.78Å; P14-L331 VanDerWaalsContact CG-O 3.32Å; P14-L331 WeakPolarHBondContact CG-O 3.39Å; M329-L331 PolarHBondContact O-N 3.24Å
332	Q	62	Low	60.1	Low	139 Å²	139	65.8 Å²	65.8	65%	0.65	33%	0.33	S	S	*	.			trans	-106.3	131.1	-179.3	-65.8	-174.3	-25	0	0	108.8	P330 K334 H335	P330-Q332 PolarHBondContact O-N 3.19Å; Q332-K334 PolarHBondContact O-N 3.26Å; Q332-H335 PolarHBondContact O-CE1 2.84Å; Q332-H335 PolarHBondContact O-NE2 3.43Å
333	T	59.7	Low	59.7	Low	36 Å²	36	67.4 Å²	67.4	22%	0.221	34%	0.339	C	S	.	.	S	Bend	trans	-68.3	-16.7	172.7	48.7	0	0	0	0	112.7	T16 L17 E347 I348	T16-T333 VanDerWaalsContact OG1-CG2 3.28Å; T16-T333 WeakPolarHBondContact OG1-CG2 3.28Å; L17-T333 HydrophobicContact CD2-CG2 4.28Å; L17-T333 HydrophobicContact CG-CG2 4.39Å; T333-E347 CarbonylContact O-C 3.48Å; T333-E347 WeakPolarHBondContact O-CA 3.37Å; T333-I348 WeakPolarHBondContact CB-O 3.39Å; T333-I348 PolarHBondContact O-N 3.38Å
334	K	63.2	Low	59.7	Low	93 Å²	93	61.4 Å²	61.4	40%	0.404	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.3	179.7	-173	172.3	-178.4	175.1	0	111.1	Q332 R346 E347	Q332-K334 PolarHBondContact O-N 3.26Å; K334-R346 CarbonylContact C-O 3.58Å; K334-R346 WeakPolarHBondContact CA-O 3.28Å; K334-E347 HydrophobicContact CB-CB 4.13Å; K334-E347 HydrophobicContact CB-CG 4.14Å; K334-E347 HydrophobicContact CG-CB 4.11Å
335	H	62.3	Low	59.9	Low	49 Å²	49	60.5 Å²	60.5	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.9	173.5	-53.8	-69.2	0	0	0	109.9	P330 Q332 S345 R346	P330-H335 VanDerWaalsContact CB-CE1 3.5Å; P330-H335 WeakPolarHBondContact CB-CE1 3.34Å; P330-H335 VanDerWaalsContact CG-CE1 3.43Å; P330-H335 WeakPolarHBondContact CG-CE1 3.45Å; Q332-H335 PolarHBondContact O-CE1 2.84Å; Q332-H335 PolarHBondContact O-NE2 3.43Å; H335-S345 CarbonylContact O-C 3.51Å; H335-S345 WeakPolarHBondContact O-CA 3.41Å; H335-R346 PolarHBondContact N-O 3.28Å; H335-R346 PolarHBondContact O-N 3.13Å
336	V	63.1	Low	60	Low	62 Å²	62	63 Å²	63	38%	0.376	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	106.2	170.4	-178	0	0	0	0	108.1	R338 E344 L370	V336-R338 HydrophobicContact CG1-CG 4.27Å; V336-E344 CarbonylContact C-O 3.38Å; V336-E344 VanDerWaalsContact CA-O 3.31Å; V336-E344 WeakPolarHBondContact CA-O 3.28Å; V336-L370 HydrophobicContact CG1-CD1 3.76Å; V336-L370 HydrophobicContact CG2-CD1 4.43Å
337	L	59.7	Low	60.2	Low	48 Å²	48	64 Å²	64	25%	0.251	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.4	169.7	-56	172.8	0	0	0	107.7	E344 R346	L337-E344 HydrophobicContact CB-CG 3.63Å; L337-E344 HydrophobicContact CD1-CG 4.26Å; L337-E344 VanDerWaalsContact CD1-OE1 3.31Å; L337-E344 WeakPolarHBondContact CD1-OE1 3.49Å; L337-E344 HydrophobicContact CG-CG 4.37Å; L337-E344 PolarHBondContact N-O 3.48Å; L337-E344 PolarHBondContact O-N 3.25Å; L337-E344 VanDerWaalsContact O-O 3.06Å; L337-R346 HydrophobicContact CD1-CG 4.14Å; L337-R346 VanDerWaalsContact CD1-NE 3.27Å
338	R	56.8	Low	60.3	Low	73 Å²	73	59.3 Å²	59.3	28%	0.275	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.5	171.5	-41.9	-171.8	165	101.9	-7.8	108.5	L122 K123 V336 N343	L122-R338 PolarHBondContact O-NH1 3.31Å; L122-R338 PolarHBondContact O-NH2 3.34Å; K123-R338 HydrophobicContact CG-CG 4.34Å; K123-R338 VanDerWaalsContact N-NH1 3.19Å; K123-R338 PolarHBondContact NZ-O 3.21Å; V336-R338 HydrophobicContact CG1-CG 4.27Å; R338-N343 WeakPolarHBondContact CB-OD1 3.48Å; R338-N343 WeakPolarHBondContact CD-OD1 3.35Å; R338-N343 WeakPolarHBondContact CG-OD1 3.26Å
339	S	55.6	Low	60.8	Low	55 Å²	55	57.4 Å²	57.4	39%	0.385	29%	0.286	S	S	.	.			trans	-97.7	172.7	173.3	-65.2	0	0	0	0	109.4	T341 Y342	S339-T341 PolarHBondContact O-N 2.96Å; S339-Y342 WeakPolarHBondContact CA-O 3.43Å; S339-Y342 WeakPolarHBondContact CB-O 3.25Å; S339-Y342 PolarHBondContact N-O 3.21Å
340	E	52.8	Low	60.7	Low	171 Å²	171	62.5 Å²	62.5	80%	0.799	31%	0.31	S	S	*	.	S	Bend	trans	-67.7	-23.2	178.6	-62.8	-174.8	164.4	0	0	112.8
341	T	51.5	Low	60.9	Low	98 Å²	98	64.2 Å²	64.2	60%	0.601	32%	0.315	S	S	*	.	S	Bend	trans	-113.5	-13.1	-170.4	49.5	0	0	0	0	114.2	S339	S339-T341 PolarHBondContact O-N 2.96Å
342	Y	57.2	Low	60.8	Low	72 Å²	72	69 Å²	69	28%	0.282	33%	0.333	S	S	.	.			trans	-168.4	154.7	176.3	58.3	-84.2	0	0	0	111.5	S339 E344 R369	S339-Y342 WeakPolarHBondContact CA-O 3.43Å; S339-Y342 WeakPolarHBondContact CB-O 3.25Å; S339-Y342 PolarHBondContact N-O 3.21Å; Y342-E344 HydrophobicContact CD2-CB 3.88Å; Y342-E344 HydrophobicContact CD2-CG 4.28Å; Y342-E344 HydrophobicContact CE2-CB 3.78Å; Y342-E344 HydrophobicContact CE2-CG 3.83Å; Y342-R369 VanDerWaalsContact CB-NE 3.33Å; Y342-R369 HydrophobicContact CD2-CG 4.49Å
343	N	61.9	Low	60.4	Low	36 Å²	36	64.4 Å²	64.4	19%	0.193	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.6	163.3	-62.8	-66.7	0	0	0	108.8	R338 L370 D372	R338-N343 WeakPolarHBondContact CB-OD1 3.48Å; R338-N343 WeakPolarHBondContact CD-OD1 3.35Å; R338-N343 WeakPolarHBondContact CG-OD1 3.26Å; N343-L370 HydrophobicContact CB-CB 3.94Å; N343-L370 HydrophobicContact CB-CD1 4.26Å; N343-L370 PolarHBondContact O-N 2.9Å; N343-D372 PolarHBondContact ND2-OD1 3.37Å
344	E	65.4	Low	59.7	Low	14 Å²	14	65.4 Å²	65.4	7%	0.065	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.9	172.4	63.4	-178.8	155.2	0	0	110	V336 L337 Y342 R346 H368	V336-E344 CarbonylContact C-O 3.38Å; V336-E344 VanDerWaalsContact CA-O 3.31Å; V336-E344 WeakPolarHBondContact CA-O 3.28Å; L337-E344 HydrophobicContact CB-CG 3.63Å; L337-E344 HydrophobicContact CD1-CG 4.26Å; L337-E344 VanDerWaalsContact CD1-OE1 3.31Å; L337-E344 WeakPolarHBondContact CD1-OE1 3.49Å; L337-E344 HydrophobicContact CG-CG 4.37Å; L337-E344 PolarHBondContact N-O 3.48Å; L337-E344 PolarHBondContact O-N 3.25Å; L337-E344 VanDerWaalsContact O-O 3.06Å; Y342-E344 HydrophobicContact CD2-CB 3.88Å; Y342-E344 HydrophobicContact CD2-CG 4.28Å; Y342-E344 HydrophobicContact CE2-CB 3.78Å; Y342-E344 HydrophobicContact CE2-CG 3.83Å; E344-R346 VanDerWaalsContact CD-NH2 3.33Å; E344-R346 HydrophobicContact CG-CG 4.34Å; E344-R346 IonicContact OE1-CZ 3.49Å; E344-R346 IonicContact OE1-NE 2.92Å; E344-R346 PolarHBondContact OE1-NE 2.97Å; E344-R346 IonicContact OE1-NH2 3.18Å; E344-R346 PolarHBondContact OE1-NH2 3.2Å; E344-R346 IonicContact OE2-CZ 2.9Å; E344-R346 IonicContact OE2-NE 2.73Å; E344-R346 PolarHBondContact OE2-NE 3Å; E344-R346 IonicContact OE2-NH2 3.33Å; E344-R346 PolarHBondContact OE2-NH2 2.91Å; E344-H368 CarbonylContact C-O 3.55Å; E344-H368 WeakPolarHBondContact CA-O 2.86Å
345	S	65.6	Low	58.6	Low	1 Å²	1	65.5 Å²	65.5	1%	0.007	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.3	162	81.7	0	0	0	0	108.8	H335 Y367 H368	H335-S345 CarbonylContact O-C 3.51Å; H335-S345 WeakPolarHBondContact O-CA 3.41Å; S345-Y367 CarbonylContact O-C 3.4Å; S345-Y367 WeakPolarHBondContact O-CA 3.31Å; S345-H368 PolarHBondContact N-O 3.21Å; S345-H368 PolarHBondContact O-N 2.95Å; S345-H368 WeakPolarHBondContact OG-CB 3.27Å
346	R	65.8	Low	57.7	Low	63 Å²	63	67 Å²	67	24%	0.238	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.3	172.7	-63.6	-165	-175.3	171.7	5.8	108.7	K334 H335 L337 E344 T365 R366 Y367	K334-R346 CarbonylContact C-O 3.58Å; K334-R346 WeakPolarHBondContact CA-O 3.28Å; H335-R346 PolarHBondContact N-O 3.28Å; H335-R346 PolarHBondContact O-N 3.13Å; L337-R346 HydrophobicContact CD1-CG 4.14Å; L337-R346 VanDerWaalsContact CD1-NE 3.27Å; E344-R346 VanDerWaalsContact CD-NH2 3.33Å; E344-R346 HydrophobicContact CG-CG 4.34Å; E344-R346 IonicContact OE1-CZ 3.49Å; E344-R346 IonicContact OE1-NE 2.92Å; E344-R346 PolarHBondContact OE1-NE 2.97Å; E344-R346 IonicContact OE1-NH2 3.18Å; E344-R346 PolarHBondContact OE1-NH2 3.2Å; E344-R346 IonicContact OE2-CZ 2.9Å; E344-R346 IonicContact OE2-NE 2.73Å; E344-R346 PolarHBondContact OE2-NE 3Å; E344-R346 IonicContact OE2-NH2 3.33Å; E344-R346 PolarHBondContact OE2-NH2 2.91Å; R346-T365 HydrophobicContact CB-CG2 3.82Å; R346-T365 HydrophobicContact CG-CG2 4.38Å; R346-R366 CarbonylContact C-O 3.42Å; R346-R366 VanDerWaalsContact CA-O 3.27Å; R346-R366 WeakPolarHBondContact CA-O 3.27Å; R346-Y367 VanDerWaalsContact CD-CE1 3.47Å; R346-Y367 HydrophobicContact CG-CD1 3.68Å; R346-Y367 HydrophobicContact CG-CE1 3.76Å
347	E	64.5	Low	56.6	Low	44 Å²	44	72.2 Å²	72.2	21%	0.206	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.4	178.8	178.1	179.1	-143.9	0	0	110.4	T333 K334 I349 T365 R366	T333-E347 CarbonylContact O-C 3.48Å; T333-E347 WeakPolarHBondContact O-CA 3.37Å; K334-E347 HydrophobicContact CB-CB 4.13Å; K334-E347 HydrophobicContact CB-CG 4.14Å; K334-E347 HydrophobicContact CG-CB 4.11Å; E347-I349 PolarHBondContact O-N 3.37Å; E347-I349 VanDerWaalsContact O-N 3.17Å; E347-T365 CarbonylContact O-C 3.47Å; E347-T365 VanDerWaalsContact O-CA 3.27Å; E347-T365 WeakPolarHBondContact O-CA 2.97Å; E347-R366 HydrophobicContact CB-CB 4.16Å; E347-R366 PolarHBondContact N-O 3.47Å; E347-R366 PolarHBondContact O-N 2.78Å; E347-R366 IonicContact OE2-CZ 2.89Å; E347-R366 IonicContact OE2-NH1 3.89Å; E347-R366 PolarHBondContact OE2-NH1 2.76Å
348	I	64.4	Low	55.7	Low	14 Å²	14	70.5 Å²	70.5	7%	0.072	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	104.5	170.9	-61.1	171.1	0	0	0	107.6	L17 T333 Y363	L17-I348 HydrophobicContact CD2-CD1 4.12Å; T333-I348 WeakPolarHBondContact CB-O 3.39Å; T333-I348 PolarHBondContact O-N 3.38Å; I348-Y363 HydrophobicContact CG2-CD1 3.63Å; I348-Y363 HydrophobicContact CG2-CE1 4.43Å; I348-Y363 HydrophobicContact CG2-CG 4.41Å
349	I	66.3	Low	54.9	Low	47 Å²	47	69.1 Å²	69.1	24%	0.241	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-49.5	-177.3	-40.5	173.7	0	0	0	110.2	E347 M364 R366 Y400	E347-I349 PolarHBondContact O-N 3.37Å; E347-I349 VanDerWaalsContact O-N 3.17Å; I349-M364 HydrophobicContact CD1-CG 4.06Å; I349-M364 HydrophobicContact CD1-SD 4.12Å; I349-M364 PolarHBondContact N-O 3.37Å; I349-R366 HydrophobicContact CD1-CB 3.58Å; I349-R366 HydrophobicContact CD1-CG 4.13Å; I349-R366 HydrophobicContact CG1-CB 3.73Å; I349-Y400 HydrophobicContact CD1-CD1 3.84Å; I349-Y400 HydrophobicContact CD1-CE1 3.51Å
350	Q	59.1	Low	54.2	Low	118 Å²	118	67.6 Å²	67.6	55%	0.551	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.5	-171.9	-66.7	-176.9	-7.8	0	0	109.1	Y363 M364	Q350-Y363 WeakPolarHBondContact O-CA 3.49Å; Q350-M364 HydrophobicContact CB-CB 4.13Å; Q350-M364 PolarHBondContact O-N 3.37Å
351	H	62	Low	53.9	Low	67 Å²	67	59.5 Å²	59.5	31%	0.31	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.8	166.8	67.8	-75.8	0	0	0	108.9	D353 V362 Y363	H351-D353 IonicContact CD2-OD1 3.86Å; H351-V362 CarbonylContact C-O 3.53Å; H351-V362 WeakPolarHBondContact CA-O 3.12Å; H351-Y363 HydrophobicContact CB-CD1 3.83Å; H351-Y363 HydrophobicContact CB-CE1 3.99Å
352	K	58.8	Low	53.8	Low	148 Å²	148	55.7 Å²	55.7	64%	0.643	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.8	171.6	-176.8	177.2	-179.4	179.1	0	107.8	C361 V362	K352-C361 WeakPolarHBondContact O-CA 3.28Å; K352-V362 PolarHBondContact N-O 2.75Å; K352-V362 PolarHBondContact O-N 3.3Å
353	D	53.7	Low	53.7	Low	43 Å²	43	52.5 Å²	52.5	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.8	171.3	-62.4	-39.5	0	0	0	108.9	P20 R55 H351 F357	P20-D353 VanDerWaalsContact CG-OD2 3.24Å; P20-D353 WeakPolarHBondContact CG-OD2 3.31Å; R55-D353 IonicContact NH2-OD1 3.27Å; H351-D353 IonicContact CD2-OD1 3.86Å; D353-F357 HydrophobicContact CB-CD1 4.43Å
354	L	44.8	Very low	53.5	Low	57 Å²	57	53 Å²	53	30%	0.298	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.8	173.2	-68.4	179.6	0	0	0	109.3	P356 C360 V362	L354-P356 CarbonylContact O-C 3.34Å; L354-P356 VanDerWaalsContact O-O 3.06Å; L354-C360 HydrophobicContact CB-CB 3.91Å; L354-C360 PolarHBondContact N-O 3.48Å; L354-V362 HydrophobicContact CD1-CG2 3.35Å; L354-V362 HydrophobicContact CD2-CG2 4.4Å; L354-V362 HydrophobicContact CG-CG2 3.74Å
355	P	39.6	Very low	53.1	Low	96 Å²	96	52.6 Å²	52.6	62%	0.623	27%	0.267	S	S	*	.	S	Bend	trans	-58	139.6	169.3	-23.2	33.7	0	0	0	111.4
356	P	42.4	Very low	52.7	Low	81 Å²	81	56.1 Å²	56.1	53%	0.526	28%	0.28	S	S	.	.	S	Bend	cis	-73.3	132.9	-1.6	-11.2	28.6	0	0	0	111.2	L354 G358 L359	L354-P356 CarbonylContact O-C 3.34Å; L354-P356 VanDerWaalsContact O-O 3.06Å; P356-G358 PolarHBondContact O-N 3.14Å; P356-L359 HydrophobicContact CB-CD1 3.84Å; P356-L359 HydrophobicContact CB-CG 4.49Å; P356-L359 HydrophobicContact CG-CD1 3.76Å; P356-L359 WeakPolarHBondContact O-CB 3.08Å; P356-L359 PolarHBondContact O-N 2.92Å
357	F	39.9	Very low	52.5	Low	171 Å²	171	54.4 Å²	54.4	75%	0.75	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	128.9	-172.4	-73.3	-78.6	0	0	0	112.1	D353	D353-F357 HydrophobicContact CB-CD1 4.43Å
358	G	41.4	Very low	52.6	Low	12 Å²	12	56.1 Å²	56.1	12%	0.124	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	-14.5	-179	0	0	0	0	0	115.8	H19 P356	H19-G358 PolarHBondContact NE2-O 2.82Å; P356-G358 PolarHBondContact O-N 3.14Å
359	L	39.7	Very low	52.6	Low	43 Å²	43	64 Å²	64	23%	0.225	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-36	179	-74	179.8	0	0	0	113.9	P356 L407 L410	P356-L359 HydrophobicContact CB-CD1 3.84Å; P356-L359 HydrophobicContact CB-CG 4.49Å; P356-L359 HydrophobicContact CG-CD1 3.76Å; P356-L359 WeakPolarHBondContact O-CB 3.08Å; P356-L359 PolarHBondContact O-N 2.92Å; L359-L407 PolarHBondContact O-N 3.19Å; L359-L410 HydrophobicContact CD1-CD1 3.77Å; L359-L410 HydrophobicContact CD2-CB 4.03Å; L359-L410 HydrophobicContact CD2-CD1 3.53Å; L359-L410 HydrophobicContact CD2-CG 4.22Å; L359-L410 HydrophobicContact CG-CD1 3.64Å
360	C	40.6	Very low	52.5	Low	23 Å²	23	65.2 Å²	65.2	16%	0.155	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.2	-176	-70.9	0	0	0	0	108	L354	L354-C360 HydrophobicContact CB-CB 3.91Å; L354-C360 PolarHBondContact N-O 3.48Å
361	C	46.5	Very low	52.3	Low	2 Å²	2	64.1 Å²	64.1	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.4	172.2	54.1	0	0	0	0	108.6	R55 K352 Y363 V405	R55-C361 PolarHBondContact NH1-SG 3.11Å; K352-C361 WeakPolarHBondContact O-CA 3.28Å; C361-Y363 HydrophobicContact CB-CE2 4.43Å; C361-Y363 WeakPolarHBondContact SG-CE2 3.47Å; C361-Y363 PolarHBondContact SG-OH 3.39Å; C361-V405 PolarHBondContact N-O 3.16Å; C361-V405 PolarHBondContact O-N 3.34Å
362	V	50.6	Low	51.9	Low	18 Å²	18	65.6 Å²	65.6	11%	0.109	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.5	171.4	-175.7	0	0	0	0	108.2	H351 K352 L354 F402 F403 I404	H351-V362 CarbonylContact C-O 3.53Å; H351-V362 WeakPolarHBondContact CA-O 3.12Å; K352-V362 PolarHBondContact N-O 2.75Å; K352-V362 PolarHBondContact O-N 3.3Å; L354-V362 HydrophobicContact CD1-CG2 3.35Å; L354-V362 HydrophobicContact CD2-CG2 4.4Å; L354-V362 HydrophobicContact CG-CG2 3.74Å; V362-F402 HydrophobicContact CG1-CB 3.54Å; V362-F402 HydrophobicContact CG1-CD1 3.48Å; V362-F402 VanDerWaalsContact CG1-CD1 3.48Å; V362-F402 HydrophobicContact CG1-CG 3.91Å; V362-F403 VanDerWaalsContact CA-O 3.26Å; V362-F403 WeakPolarHBondContact CA-O 3.49Å; V362-I404 HydrophobicContact CG2-CG1 4Å
363	Y	54.6	Low	51.1	Low	4 Å²	4	65.5 Å²	65.5	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.2	172.8	-58.9	-87.5	0	0	0	110.1	R55 I348 Q350 H351 C361 T365 F402 F403 V405	R55-Y363 WeakPolarHBondContact CD-OH 3.47Å; R55-Y363 VanDerWaalsContact CG-OH 3.28Å; R55-Y363 WeakPolarHBondContact CG-OH 3.47Å; R55-Y363 PolarHBondContact NE-OH 3.09Å; R55-Y363 VanDerWaalsContact NE-OH 3.14Å; R55-Y363 PolarHBondContact NH1-OH 2.91Å; I348-Y363 HydrophobicContact CG2-CD1 3.63Å; I348-Y363 HydrophobicContact CG2-CE1 4.43Å; I348-Y363 HydrophobicContact CG2-CG 4.41Å; Q350-Y363 WeakPolarHBondContact O-CA 3.49Å; H351-Y363 HydrophobicContact CB-CD1 3.83Å; H351-Y363 HydrophobicContact CB-CE1 3.99Å; C361-Y363 HydrophobicContact CB-CE2 4.43Å; C361-Y363 WeakPolarHBondContact SG-CE2 3.47Å; C361-Y363 PolarHBondContact SG-OH 3.39Å; Y363-T365 PolarHBondContact O-N 2.86Å; Y363-F402 WeakPolarHBondContact O-CA 3.45Å; Y363-F403 PolarHBondContact N-O 2.87Å; Y363-F403 PolarHBondContact O-N 3.02Å; Y363-V405 HydrophobicContact CD2-CG2 3.95Å; Y363-V405 HydrophobicContact CE2-CB 3.82Å; Y363-V405 HydrophobicContact CE2-CG2 3.47Å; Y363-V405 VanDerWaalsContact CE2-CG2 3.47Å
364	M	57	Low	50.5	Low	47 Å²	47	70.7 Å²	70.7	23%	0.232	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.9	161.4	-177.1	177.3	-79.8	0	0	107.5	I349 Q350 Y400 F402	I349-M364 HydrophobicContact CD1-CG 4.06Å; I349-M364 HydrophobicContact CD1-SD 4.12Å; I349-M364 PolarHBondContact N-O 3.37Å; Q350-M364 HydrophobicContact CB-CB 4.13Å; Q350-M364 PolarHBondContact O-N 3.37Å; M364-Y400 HydrophobicContact CG-CD1 4.02Å; M364-Y400 HydrophobicContact SD-CD1 4.13Å; M364-Y400 HydrophobicContact SD-CE1 4.5Å; M364-F402 HydrophobicContact CB-CE1 4.32Å; M364-F402 HydrophobicContact CE-CE1 3.92Å; M364-F402 HydrophobicContact CE-CZ 3.87Å
365	T	57.5	Low	50.1	Low	6 Å²	6	77 Å²	77	4%	0.037	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.8	175.1	-57.4	0	0	0	0	109.5	R346 E347 Y363 Y367 D401	R346-T365 HydrophobicContact CB-CG2 3.82Å; R346-T365 HydrophobicContact CG-CG2 4.38Å; E347-T365 CarbonylContact O-C 3.47Å; E347-T365 VanDerWaalsContact O-CA 3.27Å; E347-T365 WeakPolarHBondContact O-CA 2.97Å; Y363-T365 PolarHBondContact O-N 2.86Å; T365-Y367 HydrophobicContact CG2-CD2 4.28Å; T365-Y367 HydrophobicContact CG2-CE1 4.35Å; T365-Y367 HydrophobicContact CG2-CE2 3.8Å; T365-Y367 VanDerWaalsContact O-CD2 3.29Å; T365-Y367 WeakPolarHBondContact O-CD2 3.48Å; T365-Y367 VanDerWaalsContact O-CE2 3.29Å; T365-Y367 WeakPolarHBondContact O-CE2 3.41Å; T365-D401 PolarHBondContact N-O 2.82Å; T365-D401 VanDerWaalsContact N-O 3.11Å; T365-D401 PolarHBondContact O-N 2.81Å
366	R	58.6	Low	49.8	Very low	74 Å²	74	78.1 Å²	78.1	28%	0.279	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.8	167.6	-157.4	174.8	-76.4	154.1	-17.2	109	R346 E347 I349 H368 Y400	R346-R366 CarbonylContact C-O 3.42Å; R346-R366 VanDerWaalsContact CA-O 3.27Å; R346-R366 WeakPolarHBondContact CA-O 3.27Å; E347-R366 HydrophobicContact CB-CB 4.16Å; E347-R366 PolarHBondContact N-O 3.47Å; E347-R366 PolarHBondContact O-N 2.78Å; E347-R366 IonicContact OE2-CZ 2.89Å; E347-R366 IonicContact OE2-NH1 3.89Å; E347-R366 PolarHBondContact OE2-NH1 2.76Å; I349-R366 HydrophobicContact CD1-CB 3.58Å; I349-R366 HydrophobicContact CD1-CG 4.13Å; I349-R366 HydrophobicContact CG1-CB 3.73Å; R366-H368 WeakPolarHBondContact CD-NE2 3.38Å; R366-Y400 HydrophobicContact CG-CE1 4.25Å
367	Y	61.3	Low	49.4	Very low	28 Å²	28	79 Å²	79	11%	0.11	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.3	172.3	-60.7	-103.6	0	0	0	109.1	S345 R346 T365 K399 D401 F403	S345-Y367 CarbonylContact O-C 3.4Å; S345-Y367 WeakPolarHBondContact O-CA 3.31Å; R346-Y367 VanDerWaalsContact CD-CE1 3.47Å; R346-Y367 HydrophobicContact CG-CD1 3.68Å; R346-Y367 HydrophobicContact CG-CE1 3.76Å; T365-Y367 HydrophobicContact CG2-CD2 4.28Å; T365-Y367 HydrophobicContact CG2-CE1 4.35Å; T365-Y367 HydrophobicContact CG2-CE2 3.8Å; T365-Y367 VanDerWaalsContact O-CD2 3.29Å; T365-Y367 WeakPolarHBondContact O-CD2 3.48Å; T365-Y367 VanDerWaalsContact O-CE2 3.29Å; T365-Y367 WeakPolarHBondContact O-CE2 3.41Å; Y367-K399 WeakPolarHBondContact CD2-O 3.47Å; Y367-D401 HydrophobicContact CE2-CB 3.51Å; Y367-D401 WeakPolarHBondContact CE2-OD2 3.41Å; Y367-D401 VanDerWaalsContact CZ-OD2 3.24Å; Y367-D401 WeakPolarHBondContact OH-CB 3.49Å; Y367-D401 PolarHBondContact OH-OD2 2.97Å; Y367-D401 VanDerWaalsContact OH-OD2 3.05Å; Y367-F403 AromaticContact CZ-CE2 3.94Å; Y367-F403 WeakPolarHBondContact OH-CE2 3.35Å; Y367-F403 WeakPolarHBondContact OH-CZ 3.1Å
368	H	66.3	Low	48.9	Very low	79 Å²	79	77.9 Å²	77.9	37%	0.366	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.7	163.4	-60.3	-85.8	0	0	0	108.7	E344 S345 R366 L370	E344-H368 CarbonylContact C-O 3.55Å; E344-H368 WeakPolarHBondContact CA-O 2.86Å; S345-H368 PolarHBondContact N-O 3.21Å; S345-H368 PolarHBondContact O-N 2.95Å; S345-H368 WeakPolarHBondContact OG-CB 3.27Å; R366-H368 WeakPolarHBondContact CD-NE2 3.38Å; H368-L370 PolarHBondContact O-N 2.93Å
369	R	63.2	Low	48.4	Very low	180 Å²	180	87 Å²	87	68%	0.679	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	117.2	163.7	-161.7	172.2	-174	170.5	1	106.7	Y342	Y342-R369 VanDerWaalsContact CB-NE 3.33Å; Y342-R369 HydrophobicContact CD2-CG 4.49Å
370	L	65.3	Low	48.1	Very low	72 Å²	72	93.2 Å²	93.2	38%	0.377	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.6	173.3	-60.6	172.9	0	0	0	106.2	V336 N343 H368 D372	V336-L370 HydrophobicContact CG1-CD1 3.76Å; V336-L370 HydrophobicContact CG2-CD1 4.43Å; N343-L370 HydrophobicContact CB-CB 3.94Å; N343-L370 HydrophobicContact CB-CD1 4.26Å; N343-L370 PolarHBondContact O-N 2.9Å; H368-L370 PolarHBondContact O-N 2.93Å; L370-D372 PolarHBondContact O-N 2.8Å
371	A	55.3	Low	47.6	Very low	95 Å²	95	97.3 Å²	97.3	79%	0.785	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-55.6	131.7	169.8	0	0	0	0	0	107.8	D373	A371-D373 PolarHBondContact O-N 3.39Å
372	D	53.2	Low	46.8	Very low	99 Å²	99	102.9 Å²	102.9	53%	0.529	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-57.3	132.1	-179.5	-74.3	-38.1	0	0	0	109.3	N343 L370 L374	N343-D372 PolarHBondContact ND2-OD1 3.37Å; L370-D372 PolarHBondContact O-N 2.8Å; D372-L374 PolarHBondContact O-N 2.78Å
373	D	41.7	Very low	45.9	Very low	145 Å²	145	106.7 Å²	106.7	78%	0.775	57%	0.572	S	S	*	*			trans	-55.7	97.2	160.5	-81	-32.5	0	0	0	106.9	A371 R375	A371-D373 PolarHBondContact O-N 3.39Å; D373-R375 PolarHBondContact O-N 3.2Å
374	L	40.7	Very low	45.1	Very low	153 Å²	153	115.2 Å²	115.2	80%	0.801	61%	0.612	S	S	*	*	S	Bend	trans	-0.6	81.2	161.8	-73.4	153.9	0	0	0	114	D372	D372-L374 PolarHBondContact O-N 2.78Å
375	R	36.9	Very low	44	Very low	188 Å²	188	120.7 Å²	120.7	71%	0.709	64%	0.641	S	S	*	*			trans	-139	19.1	168.8	-71.8	-165.3	-178.5	-179.5	0.6	114.2	Q118 D373	Q118-R375 VanDerWaalsContact OE1-NH1 3.11Å; D373-R375 PolarHBondContact O-N 3.2Å
376	S	33.4	Very low	43	Very low	120 Å²	120	127.8 Å²	127.8	84%	0.839	68%	0.679	S	S	*	*			trans	-104.4	57.5	157.6	61.9	0	0	0	0	109.6
377	V	33.4	Very low	41.9	Very low	100 Å²	100	131 Å²	131	61%	0.606	70%	0.701	S	S	*	*			trans	-119.5	125.4	158.1	-167.5	0	0	0	0	103.5
378	N	30	Very low	40.6	Very low	147 Å²	147	136.8 Å²	136.8	79%	0.786	74%	0.735	S	S	*	*	S	Bend	trans	95.2	60.1	-174.3	-45	-18.5	0	0	0	115
379	F	31.5	Very low	39.2	Very low	205 Å²	205	140.5 Å²	140.5	90%	0.899	76%	0.757	S	S	*	*			trans	-164.1	49.5	144.6	-120.2	-78.8	0	0	0	111.7
380	L	32.1	Very low	37.5	Very low	172 Å²	172	141.4 Å²	141.4	90%	0.901	77%	0.766	S	S	*	*			trans	-132.8	99.9	154.8	-73.2	177.3	0	0	0	107.1
381	S	31	Very low	36	Very low	110 Å²	110	145.2 Å²	145.2	77%	0.769	79%	0.786	S	S	*	*			trans	-47.3	133.7	160.3	170.2	0	0	0	0	109.3	S383	S381-S383 PolarHBondContact O-N 3.15Å
382	S	28.6	Very low	34.7	Very low	119 Å²	119	144.6 Å²	144.6	83%	0.832	78%	0.775	S	S	*	*	S	Bend	trans	-53	110.2	174.7	-48.2	0	0	0	0	112.1
383	S	33.1	Very low	33.5	Very low	97 Å²	97	146 Å²	146	68%	0.678	79%	0.79	S	S	*	*			trans	-177.5	134.6	150.6	49.7	0	0	0	0	108.7	S381	S381-S383 PolarHBondContact O-N 3.15Å
384	E	37	Very low	32.9	Very low	184 Å²	184	148.3 Å²	148.3	86%	0.86	80%	0.796	S	S	*	*			trans	85.6	73.3	171	-55.7	174.9	-177	0	0	114.5
385	L	33.3	Very low	32.2	Very low	162 Å²	162	151.4 Å²	151.4	85%	0.848	80%	0.798	S	S	*	*			trans	-71	114.8	142.5	-70.3	165.1	0	0	0	106.6
386	D	38.1	Very low	31.8	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	80%	0.799	S	S	*	*			trans	-126.2	123.3	147.9	-81.7	-38.1	0	0	0	106.4
387	D	34.3	Very low	31.6	Very low	140 Å²	140	146 Å²	146	75%	0.749	79%	0.792	S	S	*	*			trans	-62.6	161.8	175.7	-67.7	-64	0	0	0	110.8
388	D	34.6	Very low	31.5	Very low	151 Å²	151	143 Å²	143	81%	0.807	78%	0.782	S	S	*	*			trans	89.6	82.4	172.8	-49.7	-38.5	0	0	0	116.8
389	D	36.6	Very low	31.7	Very low	157 Å²	157	143.9 Å²	143.9	84%	0.84	78%	0.779	S	S	*	*				-162.9	107.2	128.1	-100.5	-24.7	0	0	0	112.7	I391	D389-I391 PolarHBondContact O-N 3.05Å
390	F	28.5	Very low	32	Very low	198 Å²	198	139.9 Å²	139.9	87%	0.868	76%	0.758	S	S	*	*			trans	-75.9	100.8	173.4	-162.7	-89.8	0	0	0	108.9
391	I	32.9	Very low	32.1	Very low	153 Å²	153	135.4 Å²	135.4	79%	0.785	74%	0.735	S	S	*	*			trans	-126.8	108.4	164.5	-59.2	-179.3	0	0	0	109.6	D389	D389-I391 PolarHBondContact O-N 3.05Å
392	S	28.1	Very low	32.3	Very low	81 Å²	81	136.7 Å²	136.7	57%	0.566	73%	0.728	S	S	*	*			trans	-44.2	145.5	177.4	-68.3	0	0	0	0	114.7	E394	S392-E394 PolarHBondContact O-N 3.26Å
393	P	28.5	Very low	32.8	Very low	128 Å²	128	135.3 Å²	135.3	83%	0.831	71%	0.706	S	S	*	*			trans	-76.1	88	169.8	32.1	-30	0	0	0	109	Y395	P393-Y395 VanDerWaalsContact C-N 3.27Å; P393-Y395 PolarHBondContact O-N 3.02Å
394	E	28.3	Very low	32.9	Very low	195 Å²	195	136.3 Å²	136.3	91%	0.911	70%	0.703	S	S	*	*			trans	-72.4	90.2	166.8	-116.6	-178.5	-174.7	0	0	109.6	S392 A396	S392-E394 PolarHBondContact O-N 3.26Å; E394-A396 PolarHBondContact O-N 3.06Å; E394-A396 VanDerWaalsContact O-N 3.16Å
395	Y	26.7	Very low	33.2	Very low	217 Å²	217	129.1 Å²	129.1	85%	0.851	67%	0.672	S	S	*	*			trans	-64.3	97.2	172.2	-167.1	-92.9	0	0	0	109.9	P393	P393-Y395 VanDerWaalsContact C-N 3.27Å; P393-Y395 PolarHBondContact O-N 3.02Å
396	A	28.3	Very low	33.5	Very low	87 Å²	87	128.7 Å²	128.7	72%	0.719	67%	0.665	S	S	*	*			trans	-85.6	123.9	172.4	0	0	0	0	0	110.7	E394	E394-A396 PolarHBondContact O-N 3.06Å; E394-A396 VanDerWaalsContact O-N 3.16Å
397	P	29.2	Very low	33.7	Very low	108 Å²	108	121.9 Å²	121.9	70%	0.701	63%	0.629	S	S	*	*			trans	-71.1	155.2	-176.1	31.1	-33.3	0	0	0	111.3	K399	P397-K399 PolarHBondContact O-N 2.83Å
398	G	30.8	Very low	34.3	Very low	38 Å²	38	120.5 Å²	120.5	39%	0.392	62%	0.62	S	S	.	*			trans	-38.5	120.1	-168.7	0	0	0	0	0	115.6
399	K	34.9	Very low	34.6	Very low	164 Å²	164	114 Å²	114	71%	0.713	59%	0.586	S	S	*	*			trans	-67.3	136.4	170.3	-70.8	-174.5	176.1	-179.6	0	109.5	Y367 P397	Y367-K399 WeakPolarHBondContact CD2-O 3.47Å; P397-K399 PolarHBondContact O-N 2.83Å
400	Y	36.5	Very low	34.5	Very low	121 Å²	121	110.9 Å²	110.9	48%	0.475	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.8	128.4	169.4	-59.5	-82.9	0	0	0	107.9	I349 M364 R366	I349-Y400 HydrophobicContact CD1-CD1 3.84Å; I349-Y400 HydrophobicContact CD1-CE1 3.51Å; M364-Y400 HydrophobicContact CG-CD1 4.02Å; M364-Y400 HydrophobicContact SD-CD1 4.13Å; M364-Y400 HydrophobicContact SD-CE1 4.5Å; R366-Y400 HydrophobicContact CG-CE1 4.25Å
401	D	34.8	Very low	34.9	Very low	78 Å²	78	104.6 Å²	104.6	42%	0.417	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.4	168.9	-59.1	-34.9	0	0	0	110.6	T365 Y367	T365-D401 PolarHBondContact N-O 2.82Å; T365-D401 VanDerWaalsContact N-O 3.11Å; T365-D401 PolarHBondContact O-N 2.81Å; Y367-D401 HydrophobicContact CE2-CB 3.51Å; Y367-D401 WeakPolarHBondContact CE2-OD2 3.41Å; Y367-D401 VanDerWaalsContact CZ-OD2 3.24Å; Y367-D401 WeakPolarHBondContact OH-CB 3.49Å; Y367-D401 PolarHBondContact OH-OD2 2.97Å; Y367-D401 VanDerWaalsContact OH-OD2 3.05Å
402	F	35.1	Very low	35.1	Very low	138 Å²	138	102.3 Å²	102.3	61%	0.605	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.3	177.2	-70.2	-71.9	0	0	0	110.2	V362 Y363 M364	V362-F402 HydrophobicContact CG1-CB 3.54Å; V362-F402 HydrophobicContact CG1-CD1 3.48Å; V362-F402 VanDerWaalsContact CG1-CD1 3.48Å; V362-F402 HydrophobicContact CG1-CG 3.91Å; Y363-F402 WeakPolarHBondContact O-CA 3.45Å; M364-F402 HydrophobicContact CB-CE1 4.32Å; M364-F402 HydrophobicContact CE-CE1 3.92Å; M364-F402 HydrophobicContact CE-CZ 3.87Å
403	F	39.3	Very low	35.4	Very low	89 Å²	89	101.9 Å²	101.9	39%	0.39	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.1	172	-71.3	-74.2	0	0	0	111.1	V362 Y363 Y367	V362-F403 VanDerWaalsContact CA-O 3.26Å; V362-F403 WeakPolarHBondContact CA-O 3.49Å; Y363-F403 PolarHBondContact N-O 2.87Å; Y363-F403 PolarHBondContact O-N 3.02Å; Y367-F403 AromaticContact CZ-CE2 3.94Å; Y367-F403 WeakPolarHBondContact OH-CE2 3.35Å; Y367-F403 WeakPolarHBondContact OH-CZ 3.1Å
404	I	35.9	Very low	35.6	Very low	119 Å²	119	102 Å²	102	61%	0.61	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.7	170	-61.5	169.1	0	0	0	108.5	V362	V362-I404 HydrophobicContact CG2-CG1 4Å
405	V	41.6	Very low	35.8	Very low	33 Å²	33	96.1 Å²	96.1	20%	0.2	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123	167.5	178.1	0	0	0	0	108.3	C361 Y363 L407	C361-V405 PolarHBondContact N-O 3.16Å; C361-V405 PolarHBondContact O-N 3.34Å; Y363-V405 HydrophobicContact CD2-CG2 3.95Å; Y363-V405 HydrophobicContact CE2-CB 3.82Å; Y363-V405 HydrophobicContact CE2-CG2 3.47Å; Y363-V405 VanDerWaalsContact CE2-CG2 3.47Å; V405-L407 HydrophobicContact CG1-CD1 4.22Å; V405-L407 HydrophobicContact CG1-CG 4.26Å
406	Q	41.4	Very low	36	Very low	152 Å²	152	94.6 Å²	94.6	71%	0.71	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	109	177.8	-161.6	162.7	-3.7	0	0	108.3
407	L	42.3	Very low	36.4	Very low	13 Å²	13	95 Å²	95	7%	0.068	48%	0.476	C	S	.	.			trans	-96.8	106.9	179.8	-85.6	140	0	0	0	108.8	R55 L359 V405 I409	R55-L407 HydrophobicContact CG-CD1 4.31Å; L359-L407 PolarHBondContact O-N 3.19Å; V405-L407 HydrophobicContact CG1-CD1 4.22Å; V405-L407 HydrophobicContact CG1-CG 4.26Å; L407-I409 HydrophobicContact CB-CD1 4.03Å; L407-I409 HydrophobicContact CB-CG1 4.26Å; L407-I409 HydrophobicContact CD2-CD1 3.75Å; L407-I409 HydrophobicContact CD2-CG1 4.37Å; L407-I409 HydrophobicContact CG-CD1 4.44Å; L407-I409 PolarHBondContact O-N 2.81Å
408	I	46.1	Very low	36.8	Very low	110 Å²	110	94.3 Å²	94.3	56%	0.564	46%	0.464	S	S	*	.			trans	-80	73.7	177.6	-52.9	174.1	0	0	0	108.5
409	I	41.7	Very low	37.1	Very low	16 Å²	16	97.4 Å²	97.4	8%	0.082	47%	0.468	C	S	.	.			trans	-101.8	-21.5	-178.4	-68.8	173.7	0	0	0	112.4	H19 L52 L53 L407 Q411 F412 L413	H19-I409 HydrophobicContact CB-CD1 4.44Å; H19-I409 VanDerWaalsContact CD2-CD1 3.45Å; H19-I409 WeakPolarHBondContact CD2-CD1 3.24Å; L52-I409 WeakPolarHBondContact O-CD1 3.39Å; L53-I409 HydrophobicContact CD2-CD1 4.41Å; L407-I409 HydrophobicContact CB-CD1 4.03Å; L407-I409 HydrophobicContact CB-CG1 4.26Å; L407-I409 HydrophobicContact CD2-CD1 3.75Å; L407-I409 HydrophobicContact CD2-CG1 4.37Å; L407-I409 HydrophobicContact CG-CD1 4.44Å; L407-I409 PolarHBondContact O-N 2.81Å; I409-Q411 VanDerWaalsContact C-N 3.29Å; I409-Q411 PolarHBondContact O-N 3.47Å; I409-F412 PolarHBondContact O-N 3.3Å; I409-L413 HydrophobicContact CG2-CD1 4.05Å
410	L	34.7	Very low	37.3	Very low	90 Å²	90	93.5 Å²	93.5	47%	0.471	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.5	-176.3	-96.8	149.6	0	0	0	116.2	L359 L414	L359-L410 HydrophobicContact CD1-CD1 3.77Å; L359-L410 HydrophobicContact CD2-CB 4.03Å; L359-L410 HydrophobicContact CD2-CD1 3.53Å; L359-L410 HydrophobicContact CD2-CG 4.22Å; L359-L410 HydrophobicContact CG-CD1 3.64Å; L410-L414 HydrophobicContact CD2-CD1 3.56Å; L410-L414 HydrophobicContact CD2-CG 4.44Å
411	Q	36.1	Very low	37.3	Very low	67 Å²	67	91.8 Å²	91.8	31%	0.313	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.9	170.5	-91.3	-177.5	-20.9	0	0	114.2	Y216 I409 L415	Y216-Q411 HydrophobicContact CD2-CB 3.89Å; Y216-Q411 VanDerWaalsContact CD2-CD 3.46Å; Y216-Q411 HydrophobicContact CD2-CG 3.39Å; Y216-Q411 HydrophobicContact CE2-CB 3.77Å; Y216-Q411 HydrophobicContact CE2-CG 3.83Å; Y216-Q411 WeakPolarHBondContact CE2-O 3.28Å; Y216-Q411 HydrophobicContact CG-CG 4.37Å; Y216-Q411 PolarHBondContact O-NE2 3.42Å; I409-Q411 VanDerWaalsContact C-N 3.29Å; I409-Q411 PolarHBondContact O-N 3.47Å; Q411-L415 WeakPolarHBondContact O-CD1 3.19Å
412	F	37.3	Very low	37.5	Very low	105 Å²	105	92.7 Å²	92.7	46%	0.461	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-18.6	-175.1	-94.8	-92.3	0	0	0	114.6	P231 I409	P231-F412 HydrophobicContact CG-CD1 4.41Å; P231-F412 HydrophobicContact CG-CE1 3.39Å; P231-F412 HydrophobicContact CG-CZ 3.49Å; P231-F412 VanDerWaalsContact CG-CZ 3.49Å; I409-F412 PolarHBondContact O-N 3.3Å
413	L	33.9	Very low	37.6	Very low	72 Å²	72	89.4 Å²	89.4	38%	0.377	44%	0.444	S	S	.	.	S	Bend	trans	-100.9	-7	178.5	-83.2	161.5	0	0	0	114.3	I409	I409-L413 HydrophobicContact CG2-CD1 4.05Å
414	L	33.1	Very low	37.5	Very low	130 Å²	130	89.5 Å²	89.5	68%	0.681	45%	0.448	S	S	*	.	S	Bend	trans	-100	7	173.8	-87.7	162	0	0	0	113.3	L410	L410-L414 HydrophobicContact CD2-CD1 3.56Å; L410-L414 HydrophobicContact CD2-CG 4.44Å
415	L	32.4	Very low	37.6	Very low	72 Å²	72	87 Å²	87	38%	0.377	43%	0.434	S	S	.	.			trans	-131.5	23.3	179.5	-75.3	119.3	0	0	0	113.5	Y216 Q411	Y216-L415 HydrophobicContact CD1-CD1 3.4Å; Y216-L415 VanDerWaalsContact CD1-CD1 3.4Å; Y216-L415 HydrophobicContact CD1-CD2 3.87Å; Y216-L415 HydrophobicContact CD1-CG 4.22Å; Y216-L415 HydrophobicContact CD2-CD1 4.18Å; Y216-L415 HydrophobicContact CE1-CD1 3.07Å; Y216-L415 HydrophobicContact CE1-CD2 3.35Å; Y216-L415 HydrophobicContact CE1-CG 3.72Å; Y216-L415 HydrophobicContact CE2-CD1 3.82Å; Y216-L415 HydrophobicContact CG-CD1 3.96Å; Q411-L415 WeakPolarHBondContact O-CD1 3.19Å
416	M	31.2	Very low	37.3	Very low	184 Å²	184	91.9 Å²	91.9	91%	0.906	46%	0.455	S	S	*	.			trans	-115.1	0	154.9	-63.7	-89.8	88.1	0	0	106.1	R49	R49-M416 PolarHBondContact NH2-SD 3.01Å; R49-M416 VanDerWaalsContact NH2-SD 3.37Å

Retrieved 416 of 416 residues in 288.4 ms (Link to these results)

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