G4LZ70_SCHMA Loading...

cysteine desulfurase

AlphaFold DB , UniProt , Accession G4LZ70, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 444 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	39.3	Very low	244 Å²	244	138.5 Å²	138.5	100%	1.202	74%	0.736	S	S	*	*				0	49	0	-82.2	-168.4	-91.9	0	0	111.3
2	I	28.5	Very low	40.6	Very low	185 Å²	185	129.8 Å²	129.8	95%	0.949	70%	0.698	S	S	*	*			trans	-112.5	82.4	165.9	-59.8	169.8	0	0	0	103.9
3	G	26.5	Very low	41.8	Very low	68 Å²	68	120.1 Å²	120.1	70%	0.701	65%	0.646	S	S	*	*			trans	-135.4	107.4	-170.9	0	0	0	0	0	109.4
4	R	27.5	Very low	42.8	Very low	236 Å²	236	116.9 Å²	116.9	89%	0.891	62%	0.62	S	S	*	*			trans	65.7	77.7	161.4	-59.1	-178.5	178.4	-166.1	-1.3	116.4
5	L	31.2	Very low	43.4	Very low	168 Å²	168	120.7 Å²	120.7	88%	0.88	62%	0.623	S	S	*	*			trans	-107.4	65.8	145.9	-83.7	161.6	0	0	0	108.5
6	S	40.5	Very low	44.1	Very low	102 Å²	102	115.3 Å²	115.3	71%	0.713	60%	0.601	S	S	*	*			trans	-126	80	168.3	169.5	0	0	0	0	106.4
7	V	39	Very low	45	Very low	121 Å²	121	109.9 Å²	109.9	73%	0.733	57%	0.573	S	S	*	*			trans	-126.4	51.7	179.4	-164.7	0	0	0	0	109
8	F	47.1	Very low	45.6	Very low	123 Å²	123	110.5 Å²	110.5	54%	0.539	57%	0.567	S	S	.	*			trans	-116.1	96.4	164.7	-76.3	-77	0	0	0	108.6	A12 A16	F8-A12 HydrophobicContact CD1-CB 4.27Å; F8-A16 HydrophobicContact CD1-CB 4.34Å; F8-A16 HydrophobicContact CE1-CB 3.87Å
9	S	54.5	Low	45.8	Very low	75 Å²	75	109.6 Å²	109.6	52%	0.524	56%	0.563	S	S	.	*			trans	-64.9	158.5	163.9	73.4	0	0	0	0	109.7	L11 A12 C13	S9-L11 VanDerWaalsContact C-N 3.27Å; S9-L11 PolarHBondContact O-N 3.04Å; S9-A12 CarbonylContact O-C 3.59Å; S9-A12 WeakPolarHBondContact O-CA 3.42Å; S9-A12 WeakPolarHBondContact O-CB 3.34Å; S9-A12 PolarHBondContact O-N 3.28Å; S9-A12 WeakPolarHBondContact OG-CB 3.38Å; S9-A12 PolarHBondContact OG-N 2.8Å; S9-C13 PolarHBondContact O-N 3.28Å
10	R	54.8	Low	46.2	Very low	65 Å²	65	112.2 Å²	112.2	25%	0.245	57%	0.567	C	S	.	*	H	α-helix	trans	-53.7	-42.7	-179.5	-170.3	171.8	179.2	-129.7	-3.4	113.1	C13 R14 E301 D304 D305	R10-C13 PolarHBondContact O-N 3.07Å; R10-R14 PolarHBondContact O-N 3.18Å; R10-E301 WeakPolarHBondContact CD-OE1 3.41Å; R10-E301 IonicContact NE-OE1 3.68Å; R10-D304 IonicContact CZ-OD2 3.76Å; R10-D304 VanDerWaalsContact NH1-CG 3.35Å; R10-D304 IonicContact NH1-OD2 3.64Å; R10-D304 PolarHBondContact NH1-OD2 3.46Å; R10-D305 IonicContact CZ-OD1 2.6Å; R10-D305 IonicContact NE-OD1 2.68Å; R10-D305 IonicContact NH2-OD1 3.63Å; R10-D305 PolarHBondContact NH2-OD1 3.43Å
11	L	53.2	Low	46.5	Very low	137 Å²	137	110.8 Å²	110.8	72%	0.717	56%	0.555	S	S	*	*	H	α-helix	trans	-65.4	-41.4	174.8	-142	89.7	0	0	0	111.3	S9 C13 R15	S9-L11 VanDerWaalsContact C-N 3.27Å; S9-L11 PolarHBondContact O-N 3.04Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 3.38Å; L11-R15 WeakPolarHBondContact O-CB 3.43Å; L11-R15 PolarHBondContact O-N 3.47Å
12	A	54.9	Low	47.5	Very low	34 Å²	34	103.4 Å²	103.4	28%	0.281	52%	0.517	S	S	.	.	H	α-helix	trans	-65.6	-32.7	175.7	0	0	0	0	0	111.9	F8 S9 A16	F8-A12 HydrophobicContact CD1-CB 4.27Å; S9-A12 CarbonylContact O-C 3.59Å; S9-A12 WeakPolarHBondContact O-CA 3.42Å; S9-A12 WeakPolarHBondContact O-CB 3.34Å; S9-A12 PolarHBondContact O-N 3.28Å; S9-A12 WeakPolarHBondContact OG-CB 3.38Å; S9-A12 PolarHBondContact OG-N 2.8Å; A12-A16 WeakPolarHBondContact O-CA 3.44Å; A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.15Å
13	C	56.3	Low	48.1	Very low	3 Å²	3	100.4 Å²	100.4	2%	0.02	50%	0.498	C	S	.	.	H	α-helix	trans	-72.7	-45.5	177.4	-153.1	0	0	0	0	111.5	S9 R10 L11 R15 A16 I17	S9-C13 PolarHBondContact O-N 3.28Å; R10-C13 PolarHBondContact O-N 3.07Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 3.38Å; C13-R15 VanDerWaalsContact C-N 3.33Å; C13-R15 PolarHBondContact O-N 3.31Å; C13-A16 PolarHBondContact O-N 2.92Å; C13-I17 WeakPolarHBondContact O-CB 3.24Å; C13-I17 VanDerWaalsContact O-CG1 3.32Å; C13-I17 WeakPolarHBondContact O-CG1 3.26Å; C13-I17 PolarHBondContact O-N 3.43Å
14	R	56.2	Low	48.8	Very low	75 Å²	75	99.1 Å²	99.1	28%	0.283	48%	0.477	S	S	.	.	H	α-helix	trans	-57.4	-47.4	171.4	-76.5	-173.1	176.4	-169.3	-1.2	111.2	R10 I17 Y18 H308 R399 F400	R10-R14 PolarHBondContact O-N 3.18Å; R14-I17 PolarHBondContact O-N 2.76Å; R14-Y18 WeakPolarHBondContact O-CB 3.45Å; R14-Y18 PolarHBondContact O-N 3.24Å; R14-H308 PolarHBondContact NH1-CE1 3.41Å; R14-H308 PolarHBondContact NH1-ND1 3.38Å; R14-H308 PolarHBondContact NH2-CD2 3.31Å; R14-H308 PolarHBondContact NH2-ND1 3.09Å; R14-R399 PolarHBondContact NE-O 3.32Å; R14-R399 PolarHBondContact NH2-O 3.26Å; R14-F400 HydrophobicContact CG-CD1 4.44Å
15	R	51.5	Low	49.6	Very low	175 Å²	175	89.3 Å²	89.3	66%	0.66	45%	0.447	S	S	*	.	H	α-helix	trans	-70	-36.7	-179.4	-154.8	175.1	-172.9	-171.7	1.6	112.4	L11 C13 Y18 L19	L11-R15 WeakPolarHBondContact O-CB 3.43Å; L11-R15 PolarHBondContact O-N 3.47Å; C13-R15 VanDerWaalsContact C-N 3.33Å; C13-R15 PolarHBondContact O-N 3.31Å; R15-Y18 PolarHBondContact O-N 2.82Å; R15-L19 HydrophobicContact CG-CD1 4.3Å; R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 WeakPolarHBondContact O-CG 3.28Å; R15-L19 PolarHBondContact O-N 3.14Å
16	A	55.2	Low	49.9	Very low	34 Å²	34	86.5 Å²	86.5	28%	0.281	43%	0.429	S	S	.	.	H	α-helix	trans	-69.1	-35.4	176.2	0	0	0	0	0	111.9	F8 A12 C13 Y20	F8-A16 HydrophobicContact CD1-CB 4.34Å; F8-A16 HydrophobicContact CE1-CB 3.87Å; A12-A16 WeakPolarHBondContact O-CA 3.44Å; A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.15Å; C13-A16 PolarHBondContact O-N 2.92Å; A16-Y20 WeakPolarHBondContact O-CB 3.47Å; A16-Y20 PolarHBondContact O-N 3.37Å
17	I	58.7	Low	49.9	Very low	23 Å²	23	83.5 Å²	83.5	12%	0.118	41%	0.41	C	S	.	.	H	α-helix	trans	-72.7	-40.6	174.3	-69.1	166.9	0	0	0	110.6	C13 R14 Y20 R21 P58 F400	C13-I17 WeakPolarHBondContact O-CB 3.24Å; C13-I17 VanDerWaalsContact O-CG1 3.32Å; C13-I17 WeakPolarHBondContact O-CG1 3.26Å; C13-I17 PolarHBondContact O-N 3.43Å; R14-I17 PolarHBondContact O-N 2.76Å; I17-Y20 PolarHBondContact O-N 3.25Å; I17-R21 WeakPolarHBondContact O-CG 3.35Å; I17-R21 PolarHBondContact O-N 2.85Å; I17-P58 HydrophobicContact CD1-CG 3.93Å; I17-P58 HydrophobicContact CG1-CG 4.26Å; I17-F400 HydrophobicContact CD1-CD1 3.6Å; I17-F400 HydrophobicContact CD1-CE1 3.27Å; I17-F400 HydrophobicContact CD1-CE2 4.36Å; I17-F400 HydrophobicContact CD1-CG 4.29Å; I17-F400 HydrophobicContact CD1-CZ 3.68Å
18	Y	55	Low	49.8	Very low	121 Å²	121	81.8 Å²	81.8	48%	0.475	39%	0.394	S	S	.	.	H	α-helix	trans	-59.4	-50.2	171.9	-176.3	-91.7	0	0	0	110.9	R14 R15 Y20 R21 E22	R14-Y18 WeakPolarHBondContact O-CB 3.45Å; R14-Y18 PolarHBondContact O-N 3.24Å; R15-Y18 PolarHBondContact O-N 2.82Å; Y18-Y20 VanDerWaalsContact C-N 3.27Å; Y18-Y20 PolarHBondContact O-N 3.46Å; Y18-R21 WeakPolarHBondContact O-CB 3.37Å; Y18-R21 PolarHBondContact O-N 3.45Å; Y18-R21 VanDerWaalsContact O-N 3.09Å; Y18-E22 HydrophobicContact CD1-CG 4.38Å; Y18-E22 HydrophobicContact CE1-CG 3.92Å; Y18-E22 PolarHBondContact O-N 3.26Å
19	L	50.2	Low	49.3	Very low	93 Å²	93	80.5 Å²	80.5	49%	0.487	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-32.4	174	-75.5	168.1	0	0	0	112	R15 F23	R15-L19 HydrophobicContact CG-CD1 4.3Å; R15-L19 WeakPolarHBondContact O-CB 3.43Å; R15-L19 WeakPolarHBondContact O-CG 3.28Å; R15-L19 PolarHBondContact O-N 3.14Å; L19-F23 WeakPolarHBondContact O-CA 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.29Å; L19-F23 PolarHBondContact O-N 3.43Å
20	Y	53.7	Low	48.4	Very low	162 Å²	162	83.5 Å²	83.5	64%	0.635	40%	0.402	S	S	*	.	H	α-helix	trans	-72.6	-34.7	175	-170.3	-93.1	0	0	0	111.2	A16 I17 Y18 F23 C24	A16-Y20 WeakPolarHBondContact O-CB 3.47Å; A16-Y20 PolarHBondContact O-N 3.37Å; I17-Y20 PolarHBondContact O-N 3.25Å; Y18-Y20 VanDerWaalsContact C-N 3.27Å; Y18-Y20 PolarHBondContact O-N 3.46Å; Y20-F23 PolarHBondContact O-N 3.34Å; Y20-C24 WeakPolarHBondContact CE1-SG 3.36Å; Y20-C24 WeakPolarHBondContact O-CB 3.3Å; Y20-C24 PolarHBondContact O-N 2.89Å; Y20-C24 PolarHBondContact O-SG 3.49Å
21	R	52.6	Low	48	Very low	83 Å²	83	86.4 Å²	86.4	31%	0.313	43%	0.427	S	S	.	.	H	α-helix	trans	-67.2	-43.1	172.1	-73.5	-179.7	178.2	-173.3	1.2	111.2	I17 Y18 A25 E405	I17-R21 WeakPolarHBondContact O-CG 3.35Å; I17-R21 PolarHBondContact O-N 2.85Å; Y18-R21 WeakPolarHBondContact O-CB 3.37Å; Y18-R21 PolarHBondContact O-N 3.45Å; Y18-R21 VanDerWaalsContact O-N 3.09Å; R21-A25 PolarHBondContact O-N 3.36Å; R21-A25 VanDerWaalsContact O-N 3.1Å; R21-E405 IonicContact CZ-OE1 3.7Å; R21-E405 IonicContact NH1-OE1 3.96Å; R21-E405 PolarHBondContact NH1-OE1 2.98Å
22	E	50.1	Low	47.3	Very low	89 Å²	89	84.9 Å²	84.9	42%	0.416	42%	0.416	S	S	.	.	H	α-helix	trans	-66.3	-41.5	171.2	-78.3	-150.1	140.6	0	0	112.1	Y18 C24 A25 E26	Y18-E22 HydrophobicContact CD1-CG 4.38Å; Y18-E22 HydrophobicContact CE1-CG 3.92Å; Y18-E22 PolarHBondContact O-N 3.26Å; E22-C24 VanDerWaalsContact C-N 3.33Å; E22-C24 PolarHBondContact O-N 2.92Å; E22-A25 CarbonylContact O-C 3.41Å; E22-A25 VanDerWaalsContact O-CA 3.31Å; E22-A25 WeakPolarHBondContact O-CA 3.42Å; E22-A25 VanDerWaalsContact O-CB 3.26Å; E22-A25 WeakPolarHBondContact O-CB 3.32Å; E22-A25 PolarHBondContact O-N 2.95Å; E22-E26 PolarHBondContact O-N 3.17Å
23	F	41.2	Very low	46.4	Very low	122 Å²	122	91.5 Å²	91.5	54%	0.535	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-31.9	179.1	-168.7	-93.2	0	0	0	111.4	L19 Y20 A25 A27	L19-F23 WeakPolarHBondContact O-CA 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.29Å; L19-F23 PolarHBondContact O-N 3.43Å; Y20-F23 PolarHBondContact O-N 3.34Å; F23-A25 VanDerWaalsContact C-N 3.3Å; F23-A27 HydrophobicContact CD1-CB 4.33Å; F23-A27 HydrophobicContact CE1-CB 4.25Å; F23-A27 WeakPolarHBondContact O-CA 3.07Å; F23-A27 WeakPolarHBondContact O-CB 3.47Å; F23-A27 PolarHBondContact O-N 2.86Å
24	C	42.1	Very low	45.5	Very low	41 Å²	41	94.5 Å²	94.5	28%	0.277	48%	0.478	S	S	.	.	H	α-helix	trans	-65.3	-36.3	166.8	-76.2	0	0	0	0	111.3	Y20 E22 E28	Y20-C24 WeakPolarHBondContact CE1-SG 3.36Å; Y20-C24 WeakPolarHBondContact O-CB 3.3Å; Y20-C24 PolarHBondContact O-N 2.89Å; Y20-C24 PolarHBondContact O-SG 3.49Å; E22-C24 VanDerWaalsContact C-N 3.33Å; E22-C24 PolarHBondContact O-N 2.92Å; C24-E28 WeakPolarHBondContact O-CG 3.46Å; C24-E28 PolarHBondContact O-N 3.29Å
25	A	43.4	Very low	44.4	Very low	30 Å²	30	98.4 Å²	98.4	25%	0.248	50%	0.504	C	S	.	.	H	α-helix	trans	-69.3	-41.6	174.1	0	0	0	0	0	112.3	R21 E22 F23 L29 L43	R21-A25 PolarHBondContact O-N 3.36Å; R21-A25 VanDerWaalsContact O-N 3.1Å; E22-A25 CarbonylContact O-C 3.41Å; E22-A25 VanDerWaalsContact O-CA 3.31Å; E22-A25 WeakPolarHBondContact O-CA 3.42Å; E22-A25 VanDerWaalsContact O-CB 3.26Å; E22-A25 WeakPolarHBondContact O-CB 3.32Å; E22-A25 PolarHBondContact O-N 2.95Å; F23-A25 VanDerWaalsContact C-N 3.3Å; A25-L29 PolarHBondContact O-N 3.5Å; A25-L43 HydrophobicContact CB-CD2 4.01Å
26	E	38	Very low	43.7	Very low	108 Å²	108	98.5 Å²	98.5	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-74	-37.6	177.2	-76.2	-171.2	154.7	0	0	112.7	E22 E28 L29 L30	E22-E26 PolarHBondContact O-N 3.17Å; E26-E28 VanDerWaalsContact C-N 3.26Å; E26-E28 PolarHBondContact O-N 2.86Å; E26-L29 CarbonylContact O-C 3.52Å; E26-L29 WeakPolarHBondContact O-CA 3.39Å; E26-L29 WeakPolarHBondContact O-CB 3.47Å; E26-L29 PolarHBondContact O-N 3.43Å; E26-L30 WeakPolarHBondContact O-CG 3.38Å; E26-L30 PolarHBondContact O-N 3.1Å
27	A	39.6	Very low	42.8	Very low	39 Å²	39	103 Å²	103	32%	0.322	54%	0.539	S	S	.	.	H	α-helix	trans	-68.4	-27.4	175.3	0	0	0	0	0	111.6	F23 V31	F23-A27 HydrophobicContact CD1-CB 4.33Å; F23-A27 HydrophobicContact CE1-CB 4.25Å; F23-A27 WeakPolarHBondContact O-CA 3.07Å; F23-A27 WeakPolarHBondContact O-CB 3.47Å; F23-A27 PolarHBondContact O-N 2.86Å; A27-V31 WeakPolarHBondContact O-CG2 3.38Å
28	E	37.3	Very low	41.6	Very low	85 Å²	85	112.3 Å²	112.3	40%	0.397	57%	0.573	S	S	.	*	H	α-helix	trans	-72.1	-32.6	167.7	-77.3	-170.6	145.3	0	0	112	C24 E26 K41	C24-E28 WeakPolarHBondContact O-CG 3.46Å; C24-E28 PolarHBondContact O-N 3.29Å; E26-E28 VanDerWaalsContact C-N 3.26Å; E26-E28 PolarHBondContact O-N 2.86Å; E28-K41 IonicContact OE1-NZ 3.69Å
29	L	36.6	Very low	40.8	Very low	96 Å²	96	111.8 Å²	111.8	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-71.6	-35.6	173	-76.8	159.2	0	0	0	113.3	A25 E26 V31 E32	A25-L29 PolarHBondContact O-N 3.5Å; E26-L29 CarbonylContact O-C 3.52Å; E26-L29 WeakPolarHBondContact O-CA 3.39Å; E26-L29 WeakPolarHBondContact O-CB 3.47Å; E26-L29 PolarHBondContact O-N 3.43Å; L29-V31 PolarHBondContact O-N 3.02Å; L29-E32 VanDerWaalsContact O-CB 3.32Å; L29-E32 WeakPolarHBondContact O-CB 3.42Å; L29-E32 PolarHBondContact O-N 2.68Å; L29-E32 VanDerWaalsContact O-N 3.08Å
30	L	36.8	Very low	40.3	Very low	138 Å²	138	111.2 Å²	111.2	72%	0.723	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-10.1	-179.2	-73.9	170.3	0	0	0	114	E26 E32	E26-L30 WeakPolarHBondContact O-CG 3.38Å; E26-L30 PolarHBondContact O-N 3.1Å; L30-E32 VanDerWaalsContact C-N 3.28Å
31	V	45.3	Very low	40.1	Very low	126 Å²	126	110.4 Å²	110.4	76%	0.764	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-2.8	171.3	-178.6	0	0	0	0	111.5	A27 L29	A27-V31 WeakPolarHBondContact O-CG2 3.38Å; L29-V31 PolarHBondContact O-N 3.02Å
32	E	37.8	Very low	40.2	Very low	105 Å²	105	111.8 Å²	111.8	49%	0.491	61%	0.609	S	S	.	*			trans	-88.3	6.7	-174.2	-65.7	-168.5	152.8	0	0	116.3	L29 L30 G34 C40	L29-E32 VanDerWaalsContact O-CB 3.32Å; L29-E32 WeakPolarHBondContact O-CB 3.42Å; L29-E32 PolarHBondContact O-N 2.68Å; L29-E32 VanDerWaalsContact O-N 3.08Å; L30-E32 VanDerWaalsContact C-N 3.28Å; E32-G34 PolarHBondContact O-N 3.29Å; E32-G34 VanDerWaalsContact O-N 3.07Å; E32-C40 PolarHBondContact OE1-SG 3.4Å
33	D	36.2	Very low	41.5	Very low	174 Å²	174	113.7 Å²	113.7	93%	0.93	62%	0.621	S	S	*	*	S	Bend	trans	-84.7	80.1	171.1	-94.2	-17.7	0	0	0	111.4
34	G	37.4	Very low	43.7	Very low	65 Å²	65	118 Å²	118	67%	0.67	63%	0.634	S	S	*	*	S	Bend	trans	153.6	77.3	166.4	0	0	0	0	0	116.3	E32	E32-G34 PolarHBondContact O-N 3.29Å; E32-G34 VanDerWaalsContact O-N 3.07Å
35	N	33.6	Very low	46.1	Very low	158 Å²	158	119.4 Å²	119.4	85%	0.845	64%	0.642	S	S	*	*	S	Bend	trans	76.8	120.2	149.4	-140.4	-4	0	0	0	117
36	K	36.5	Very low	48.6	Very low	176 Å²	176	119.7 Å²	119.7	77%	0.765	64%	0.64	S	S	*	*			trans	88.9	115	175.3	-60.4	-179.4	176.8	177.5	0	116.3	R38	K36-R38 VanDerWaalsContact C-N 3.34Å; K36-R38 PolarHBondContact O-N 2.77Å
37	S	36	Very low	51.4	Low	130 Å²	130	117.8 Å²	117.8	91%	0.909	63%	0.628	S	S	*	*			trans	-46.8	91.7	161.7	62.9	0	0	0	0	111
38	R	33.8	Very low	54.2	Low	218 Å²	218	115.9 Å²	115.9	82%	0.823	61%	0.613	S	S	*	*			trans	-102.2	133.8	159.4	-76.6	-178.3	169.8	177.1	-2.6	105.3	K36 C40	K36-R38 VanDerWaalsContact C-N 3.34Å; K36-R38 PolarHBondContact O-N 2.77Å; R38-C40 PolarHBondContact O-N 2.91Å
39	S	37.6	Very low	57	Low	109 Å²	109	113 Å²	113	76%	0.762	60%	0.6	S	S	*	*			trans	-42.1	117.3	173.2	57.7	0	0	0	0	108.5	K41	S39-K41 PolarHBondContact O-N 2.98Å
40	C	40.2	Very low	59.9	Low	81 Å²	81	108.8 Å²	108.8	55%	0.547	58%	0.578	S	S	.	*			trans	-45.9	122.8	172.2	-152.3	0	0	0	0	106	E32 R38	E32-C40 PolarHBondContact OE1-SG 3.4Å; R38-C40 PolarHBondContact O-N 2.91Å
41	K	48.8	Very low	62.8	Low	146 Å²	146	102.5 Å²	102.5	64%	0.635	55%	0.545	S	S	*	.			trans	-51.2	134.1	-177.3	-88.1	178.7	175.7	175	0	107.3	E28 S39 L43	E28-K41 IonicContact OE1-NZ 3.69Å; S39-K41 PolarHBondContact O-N 2.98Å; K41-L43 PolarHBondContact O-N 3.03Å; K41-L43 VanDerWaalsContact O-N 3.11Å
42	P	55.5	Low	65.2	Low	112 Å²	112	98.3 Å²	98.3	73%	0.727	52%	0.523	S	S	*	.			trans	-58.8	126.5	-178.9	23.6	-30.6	0	0	0	108.1	R44	P42-R44 PolarHBondContact O-N 3.27Å
43	L	77.3	Confident	68	Low	128 Å²	128	94.1 Å²	94.1	67%	0.67	51%	0.506	S	S	*	.			trans	-45.8	139.8	173.8	-71.5	165.1	0	0	0	109.2	A25 K41	A25-L43 HydrophobicContact CB-CD2 4.01Å; K41-L43 PolarHBondContact O-N 3.03Å; K41-L43 VanDerWaalsContact O-N 3.11Å
44	R	87.9	Confident	71	Confident	214 Å²	214	86.3 Å²	86.3	81%	0.808	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-56.6	138.3	-178	-73.2	-177.7	79.9	150.7	3.5	110.1	P42	P42-R44 PolarHBondContact O-N 3.27Å
45	P	93.2	Very high	73.8	Confident	69 Å²	69	85.9 Å²	85.9	45%	0.448	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-63.9	148.8	178.2	27.4	-34.7	0	0	0	110.9	N359	P45-N359 CarbonylContact C-O 3.36Å; P45-N359 VanDerWaalsContact CA-O 3.26Å; P45-N359 WeakPolarHBondContact CA-O 3.32Å; P45-N359 WeakPolarHBondContact CB-O 3.47Å
46	L	96.1	Very high	76.8	Confident	37 Å²	37	81.5 Å²	81.5	19%	0.194	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	143.4	171.1	-56.4	-174.8	0	0	0	109.6	F48 N359 V360 A361 E405 F408	L46-F48 HydrophobicContact CB-CD2 4.26Å; L46-F48 HydrophobicContact CB-CE2 4.25Å; L46-N359 PolarHBondContact N-O 2.89Å; L46-V360 CarbonylContact O-C 3.37Å; L46-A361 PolarHBondContact O-N 3.07Å; L46-E405 HydrophobicContact CD1-CB 3.96Å; L46-E405 HydrophobicContact CD1-CG 4.03Å; L46-E405 HydrophobicContact CD2-CG 3.97Å; L46-F408 HydrophobicContact CD1-CB 4.2Å; L46-F408 HydrophobicContact CD1-CD1 3.49Å; L46-F408 VanDerWaalsContact CD1-CD1 3.49Å; L46-F408 HydrophobicContact CD1-CE1 4.21Å; L46-F408 HydrophobicContact CD1-CG 4.12Å; L46-F408 HydrophobicContact CG-CD1 4.43Å
47	Y	96.8	Very high	79.8	Confident	67 Å²	67	73.1 Å²	73.1	26%	0.263	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.3	-176.2	-166.2	-105.2	0	0	0	111.2	D49 F50 S53 A361	Y47-D49 HydrophobicContact CE1-CB 4.41Å; Y47-D49 HydrophobicContact CE2-CB 3.96Å; Y47-D49 PolarHBondContact OH-O 3.09Å; Y47-D49 VanDerWaalsContact OH-O 3.07Å; Y47-F50 AromaticContact CD1-CD2 3.9Å; Y47-F50 HydrophobicContact CD1-CD2 3.9Å; Y47-F50 HydrophobicContact CD1-CE1 4.5Å; Y47-F50 AromaticContact CD1-CE2 3.8Å; Y47-F50 HydrophobicContact CD1-CE2 3.8Å; Y47-F50 HydrophobicContact CD1-CG 4.34Å; Y47-F50 HydrophobicContact CD1-CZ 4.11Å; Y47-F50 HydrophobicContact CE1-CD2 4.25Å; Y47-F50 HydrophobicContact CE1-CG 4.3Å; Y47-F50 WeakPolarHBondContact O-CE2 3.28Å; Y47-S53 VanDerWaalsContact CE1-O 3.27Å; Y47-S53 WeakPolarHBondContact CE1-O 3.43Å; Y47-S53 PolarHBondContact OH-O 3.35Å; Y47-A361 HydrophobicContact CD2-CB 3.96Å; Y47-A361 HydrophobicContact CE2-CB 4.48Å
48	F	97.2	Very high	82.7	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.357	C	S	.	.			trans	-119.7	37.2	174.9	-82.9	-98.8	0	0	0	111.3	L46 V360 A361 L362 G396 I397 T401 E405 V406 T409	L46-F48 HydrophobicContact CB-CD2 4.26Å; L46-F48 HydrophobicContact CB-CE2 4.25Å; F48-V360 HydrophobicContact CB-CG1 4.09Å; F48-V360 HydrophobicContact CD2-CG1 3.65Å; F48-V360 HydrophobicContact CE2-CG1 4.45Å; F48-V360 HydrophobicContact CG-CG1 4.17Å; F48-A361 CarbonylContact C-O 3.57Å; F48-A361 VanDerWaalsContact C-O 3.31Å; F48-A361 WeakPolarHBondContact CA-O 3.26Å; F48-A361 PolarHBondContact N-O 3.14Å; F48-L362 HydrophobicContact CB-CD2 3.48Å; F48-L362 VanDerWaalsContact CB-CD2 3.48Å; F48-L362 HydrophobicContact CB-CG 4.46Å; F48-L362 HydrophobicContact CG-CD2 4.47Å; F48-G396 CarbonylContact C-O 3.54Å; F48-G396 VanDerWaalsContact C-O 3.3Å; F48-G396 WeakPolarHBondContact CA-O 3.22Å; F48-G396 WeakPolarHBondContact O-CA 3.35Å; F48-G396 PolarHBondContact O-N 3.07Å; F48-I397 HydrophobicContact CD1-CG1 4.23Å; F48-I397 HydrophobicContact CE1-CG1 4.14Å; F48-T401 HydrophobicContact CE1-CG2 3.86Å; F48-T401 HydrophobicContact CE2-CG2 4.41Å; F48-T401 HydrophobicContact CZ-CG2 3.7Å; F48-E405 HydrophobicContact CE2-CB 3.98Å; F48-E405 HydrophobicContact CZ-CB 4.09Å; F48-V406 HydrophobicContact CE1-CG2 4.01Å; F48-V406 HydrophobicContact CZ-CG2 3.93Å; F48-T409 WeakPolarHBondContact CE2-OG1 3.18Å
49	D	96.7	Very high	85.8	Confident	25 Å²	25	61.1 Å²	61.1	13%	0.134	33%	0.325	C	S	.	.			trans	-125.6	36.4	-177.8	-164.2	27.5	0	0	0	113.1	Y47 Q51 A52 S53 S363 R394	Y47-D49 HydrophobicContact CE1-CB 4.41Å; Y47-D49 HydrophobicContact CE2-CB 3.96Å; Y47-D49 PolarHBondContact OH-O 3.09Å; Y47-D49 VanDerWaalsContact OH-O 3.07Å; D49-Q51 PolarHBondContact O-N 2.81Å; D49-Q51 VanDerWaalsContact O-N 3.09Å; D49-A52 VanDerWaalsContact CG-CB 3.46Å; D49-A52 WeakPolarHBondContact O-CB 3.42Å; D49-A52 PolarHBondContact O-N 2.92Å; D49-A52 WeakPolarHBondContact OD2-CB 3.47Å; D49-S53 PolarHBondContact O-N 3.18Å; D49-S363 WeakPolarHBondContact OD1-CB 3.21Å; D49-R394 IonicContact OD1-CZ 2.99Å; D49-R394 IonicContact OD1-NE 2.88Å; D49-R394 IonicContact OD1-NH2 3.66Å; D49-R394 PolarHBondContact OD1-NH2 2.92Å
50	F	97.5	Very high	88.7	Confident	7 Å²	7	56 Å²	56	3%	0.031	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.3	-175.7	-76.9	-96.4	0	0	0	114.4	Y47 S53 T54 Y247 G396 T401	Y47-F50 AromaticContact CD1-CD2 3.9Å; Y47-F50 HydrophobicContact CD1-CD2 3.9Å; Y47-F50 HydrophobicContact CD1-CE1 4.5Å; Y47-F50 AromaticContact CD1-CE2 3.8Å; Y47-F50 HydrophobicContact CD1-CE2 3.8Å; Y47-F50 HydrophobicContact CD1-CG 4.34Å; Y47-F50 HydrophobicContact CD1-CZ 4.11Å; Y47-F50 HydrophobicContact CE1-CD2 4.25Å; Y47-F50 HydrophobicContact CE1-CG 4.3Å; Y47-F50 WeakPolarHBondContact O-CE2 3.28Å; F50-S53 CarbonylContact O-C 3.56Å; F50-T54 HydrophobicContact CB-CG2 4.43Å; F50-T54 HydrophobicContact CD1-CG2 3.91Å; F50-Y247 HydrophobicContact CD1-CE1 4.12Å; F50-Y247 AromaticContact CE1-CE1 3.97Å; F50-Y247 HydrophobicContact CE1-CE1 3.97Å; F50-G396 WeakPolarHBondContact CD2-O 3.49Å; F50-T401 WeakPolarHBondContact CE2-OG1 3.5Å
51	Q	97	Very high	91.4	Very high	5 Å²	5	56 Å²	56	2%	0.023	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.2	173.7	-80.4	68.6	36.2	0	0	113	D49 Q222 K245 G339 C340	D49-Q51 PolarHBondContact O-N 2.81Å; D49-Q51 VanDerWaalsContact O-N 3.09Å; Q51-Q222 PolarHBondContact O-NE2 3.36Å; Q51-K245 WeakPolarHBondContact O-CE 3.46Å; Q51-K245 PolarHBondContact O-NZ 3.09Å; Q51-G339 PolarHBondContact NE2-O 3.37Å; Q51-G339 PolarHBondContact OE1-O 2.74Å; Q51-C340 HydrophobicContact CG-CB 4.1Å
52	A	95.6	Very high	93.8	Very high	38 Å²	38	53.5 Å²	53.5	31%	0.314	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-52.9	171.3	0	0	0	0	0	110.3	D49 H244 K245	D49-A52 VanDerWaalsContact CG-CB 3.46Å; D49-A52 WeakPolarHBondContact O-CB 3.42Å; D49-A52 PolarHBondContact O-N 2.92Å; D49-A52 WeakPolarHBondContact OD2-CB 3.47Å; A52-H244 PolarHBondContact O-CE1 3.12Å; A52-K245 VanDerWaalsContact O-CE 3.24Å; A52-K245 WeakPolarHBondContact O-CE 3.48Å
53	S	97.4	Very high	95.8	Very high	17 Å²	17	49.4 Å²	49.4	12%	0.119	25%	0.253	C	S	.	.			trans	-160.4	152.6	171.7	-162.7	0	0	0	0	110.3	Y47 D49 F50 H244 Q250	Y47-S53 VanDerWaalsContact CE1-O 3.27Å; Y47-S53 WeakPolarHBondContact CE1-O 3.43Å; Y47-S53 PolarHBondContact OH-O 3.35Å; D49-S53 PolarHBondContact O-N 3.18Å; F50-S53 CarbonylContact O-C 3.56Å; S53-H244 PolarHBondContact OG-ND1 3.43Å; S53-Q250 PolarHBondContact OG-NE2 3.45Å; S53-Q250 VanDerWaalsContact OG-NE2 3.11Å
54	T	98.1	Very high	96.8	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.067	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-99.1	150.7	170.6	61.9	0	0	0	0	110.4	F50 H244 Y247	F50-T54 HydrophobicContact CB-CG2 4.43Å; F50-T54 HydrophobicContact CD1-CG2 3.91Å; T54-H244 PolarHBondContact N-O 3.4Å; T54-H244 PolarHBondContact OG1-O 3.36Å; T54-Y247 HydrophobicContact CG2-CD1 4.24Å; T54-Y247 HydrophobicContact CG2-CE1 4.04Å; T54-Y247 WeakPolarHBondContact OG1-CA 3.45Å; T54-Y247 PolarHBondContact OG1-N 2.9Å
55	Q	96.2	Very high	97.3	Very high	56 Å²	56	36.9 Å²	36.9	26%	0.262	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-61.4	146.8	164.1	67.6	-176.2	34.1	0	0	110.4	Y247 F400	Q55-Y247 WeakPolarHBondContact O-CA 3.49Å; Q55-Y247 WeakPolarHBondContact O-CD1 3.4Å; Q55-F400 HydrophobicContact CG-CD2 3.74Å; Q55-F400 HydrophobicContact CG-CE2 3.9Å; Q55-F400 VanDerWaalsContact NE2-CE2 3.34Å
56	M	97.9	Very high	97.6	Very high	66 Å²	66	36 Å²	36	33%	0.325	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-68.3	136.6	176.4	-171.2	179.9	-60.1	0	0	110.1	V60 L61 M64 Y247 P249	M56-V60 HydrophobicContact CG-CB 4.07Å; M56-V60 HydrophobicContact CG-CG1 3.96Å; M56-V60 HydrophobicContact SD-CG1 4.21Å; M56-L61 HydrophobicContact CG-CB 4.47Å; M56-L61 HydrophobicContact SD-CB 3.7Å; M56-L61 HydrophobicContact SD-CD1 3.95Å; M56-L61 HydrophobicContact SD-CG 4.39Å; M56-M64 HydrophobicContact CE-CE 4.41Å; M56-M64 HydrophobicContact CE-SD 4Å; M56-M64 HydrophobicContact SD-SD 3.82Å; M56-Y247 WeakPolarHBondContact CA-O 3.22Å; M56-P249 HydrophobicContact CE-CB 3.68Å
57	D	98.1	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-67.8	131.7	172.1	-167.5	-64	0	0	0	109	R59 V60 L61 Y247 L297 R399	D57-R59 PolarHBondContact O-N 2.79Å; D57-R59 VanDerWaalsContact O-N 3.11Å; D57-R59 VanDerWaalsContact OD1-CB 3.31Å; D57-R59 WeakPolarHBondContact OD1-CB 3.45Å; D57-R59 IonicContact OD1-CZ 2.77Å; D57-R59 PolarHBondContact OD1-N 3.24Å; D57-R59 IonicContact OD1-NE 3.55Å; D57-R59 PolarHBondContact OD1-NE 3.37Å; D57-R59 IonicContact OD1-NH2 3.57Å; D57-R59 IonicContact OD2-CZ 3.38Å; D57-R59 IonicContact OD2-NE 2.82Å; D57-R59 IonicContact OD2-NH2 3.62Å; D57-R59 PolarHBondContact OD2-NH2 2.85Å; D57-V60 HydrophobicContact CB-CB 4.24Å; D57-V60 HydrophobicContact CB-CG2 3.86Å; D57-V60 WeakPolarHBondContact O-CA 3.48Å; D57-V60 VanDerWaalsContact O-CB 3.27Å; D57-V60 WeakPolarHBondContact O-CB 3.35Å; D57-V60 PolarHBondContact O-N 3.26Å; D57-L61 PolarHBondContact O-N 3.12Å; D57-Y247 PolarHBondContact N-O 3.48Å; D57-L297 HydrophobicContact CB-CD1 4.38Å; D57-R399 IonicContact OD2-CZ 2.69Å; D57-R399 IonicContact OD2-NH1 3.09Å; D57-R399 PolarHBondContact OD2-NH1 3.22Å
58	P	97.8	Very high	97.7	Very high	53 Å²	53	38.5 Å²	38.5	34%	0.344	20%	0.204	S	C	.	.	H	α-helix	trans	-54.7	-32.2	179.2	-29.1	36.5	0	0	0	113.9	I17 V60 L61 D62	I17-P58 HydrophobicContact CD1-CG 3.93Å; I17-P58 HydrophobicContact CG1-CG 4.26Å; P58-V60 VanDerWaalsContact C-N 3.31Å; P58-L61 PolarHBondContact O-N 3.1Å; P58-D62 WeakPolarHBondContact O-CB 3.35Å; P58-D62 PolarHBondContact O-N 2.84Å
59	R	98.3	Very high	97.6	Very high	43 Å²	43	44.4 Å²	44.4	16%	0.162	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-32.1	176.1	-63.3	168.1	-69.4	-178.4	1.7	112	D57 A63 L297 E301	D57-R59 PolarHBondContact O-N 2.79Å; D57-R59 VanDerWaalsContact O-N 3.11Å; D57-R59 VanDerWaalsContact OD1-CB 3.31Å; D57-R59 WeakPolarHBondContact OD1-CB 3.45Å; D57-R59 IonicContact OD1-CZ 2.77Å; D57-R59 PolarHBondContact OD1-N 3.24Å; D57-R59 IonicContact OD1-NE 3.55Å; D57-R59 PolarHBondContact OD1-NE 3.37Å; D57-R59 IonicContact OD1-NH2 3.57Å; D57-R59 IonicContact OD2-CZ 3.38Å; D57-R59 IonicContact OD2-NE 2.82Å; D57-R59 IonicContact OD2-NH2 3.62Å; D57-R59 PolarHBondContact OD2-NH2 2.85Å; R59-A63 PolarHBondContact O-N 2.71Å; R59-A63 VanDerWaalsContact O-N 3.13Å; R59-L297 HydrophobicContact CB-CD1 3.87Å; R59-E301 IonicContact CZ-OE1 3.11Å; R59-E301 IonicContact CZ-OE2 3.4Å; R59-E301 IonicContact NH1-OE1 3.73Å; R59-E301 PolarHBondContact NH1-OE1 3.08Å; R59-E301 IonicContact NH1-OE2 3.51Å; R59-E301 VanDerWaalsContact NH2-CD 3.33Å; R59-E301 IonicContact NH2-OE1 3.47Å; R59-E301 PolarHBondContact NH2-OE1 3.25Å; R59-E301 VanDerWaalsContact NH2-OE1 3.1Å; R59-E301 IonicContact NH2-OE2 3.08Å; R59-E301 PolarHBondContact NH2-OE2 2.98Å
60	V	98.6	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-46.5	172.5	173.1	0	0	0	0	110.1	M56 D57 P58 D62 A63 M64 G290 E293 A294 L297	M56-V60 HydrophobicContact CG-CB 4.07Å; M56-V60 HydrophobicContact CG-CG1 3.96Å; M56-V60 HydrophobicContact SD-CG1 4.21Å; D57-V60 HydrophobicContact CB-CB 4.24Å; D57-V60 HydrophobicContact CB-CG2 3.86Å; D57-V60 WeakPolarHBondContact O-CA 3.48Å; D57-V60 VanDerWaalsContact O-CB 3.27Å; D57-V60 WeakPolarHBondContact O-CB 3.35Å; D57-V60 PolarHBondContact O-N 3.26Å; P58-V60 VanDerWaalsContact C-N 3.31Å; V60-D62 VanDerWaalsContact C-N 3.33Å; V60-D62 PolarHBondContact O-N 2.87Å; V60-A63 PolarHBondContact O-N 2.94Å; V60-M64 HydrophobicContact CG1-CG 4.44Å; V60-M64 HydrophobicContact CG1-SD 3.93Å; V60-M64 VanDerWaalsContact O-CG 3.25Å; V60-M64 WeakPolarHBondContact O-CG 3.23Å; V60-M64 PolarHBondContact O-N 2.86Å; V60-M64 VanDerWaalsContact O-N 3.08Å; V60-G290 WeakPolarHBondContact CG1-O 3.42Å; V60-E293 HydrophobicContact CG2-CB 4.32Å; V60-E293 HydrophobicContact CG2-CG 4.13Å; V60-A294 HydrophobicContact CG2-CB 3.84Å; V60-L297 HydrophobicContact CG2-CD1 3.88Å
61	L	98.5	Very high	97.3	Very high	82 Å²	82	48.2 Å²	48.2	43%	0.429	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-46.1	177.1	-179.7	59.8	0	0	0	111.4	M56 D57 P58 A63 M64 L65	M56-L61 HydrophobicContact CG-CB 4.47Å; M56-L61 HydrophobicContact SD-CB 3.7Å; M56-L61 HydrophobicContact SD-CD1 3.95Å; M56-L61 HydrophobicContact SD-CG 4.39Å; D57-L61 PolarHBondContact O-N 3.12Å; P58-L61 PolarHBondContact O-N 3.1Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 2.94Å; L61-M64 WeakPolarHBondContact O-CB 3.36Å; L61-M64 PolarHBondContact O-N 2.82Å; L61-L65 HydrophobicContact CD1-CD2 4.47Å; L61-L65 HydrophobicContact CD1-CG 4.27Å; L61-L65 HydrophobicContact CG-CD1 4.3Å; L61-L65 HydrophobicContact CG-CG 4.36Å; L61-L65 WeakPolarHBondContact O-CG 3.31Å; L61-L65 PolarHBondContact O-N 3.24Å
62	D	98.2	Very high	97.3	Very high	93 Å²	93	54.6 Å²	54.6	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-57.1	-43.4	177	-172.7	66.2	0	0	0	111.9	P58 V60 M64 P66	P58-D62 WeakPolarHBondContact O-CB 3.35Å; P58-D62 PolarHBondContact O-N 2.84Å; V60-D62 VanDerWaalsContact C-N 3.33Å; V60-D62 PolarHBondContact O-N 2.87Å; D62-M64 VanDerWaalsContact C-N 3.28Å; D62-M64 PolarHBondContact O-N 2.93Å; D62-P66 WeakPolarHBondContact O-CD 3.43Å
63	A	98.3	Very high	97.4	Very high	26 Å²	26	53.2 Å²	53.2	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-30.3	175.7	0	0	0	0	0	113.4	R59 V60 L61 F67 V289 E293	R59-A63 PolarHBondContact O-N 2.71Å; R59-A63 VanDerWaalsContact O-N 3.13Å; V60-A63 PolarHBondContact O-N 2.94Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 2.94Å; A63-F67 WeakPolarHBondContact O-CD2 3.47Å; A63-V289 HydrophobicContact CB-CG1 4.15Å; A63-V289 VanDerWaalsContact O-CG1 3.29Å; A63-V289 WeakPolarHBondContact O-CG1 3.42Å; A63-E293 HydrophobicContact CB-CB 3.94Å; A63-E293 HydrophobicContact CB-CG 3.79Å
64	M	98.6	Very high	97.4	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-79.8	-38.3	-178.9	-67.5	176.1	60.5	0	0	113.2	M56 V60 L61 D62 P66 F67 Y68 P249 A286 L287 G290	M56-M64 HydrophobicContact CE-CE 4.41Å; M56-M64 HydrophobicContact CE-SD 4Å; M56-M64 HydrophobicContact SD-SD 3.82Å; V60-M64 HydrophobicContact CG1-CG 4.44Å; V60-M64 HydrophobicContact CG1-SD 3.93Å; V60-M64 VanDerWaalsContact O-CG 3.25Å; V60-M64 WeakPolarHBondContact O-CG 3.23Å; V60-M64 PolarHBondContact O-N 2.86Å; V60-M64 VanDerWaalsContact O-N 3.08Å; L61-M64 WeakPolarHBondContact O-CB 3.36Å; L61-M64 PolarHBondContact O-N 2.82Å; D62-M64 VanDerWaalsContact C-N 3.28Å; D62-M64 PolarHBondContact O-N 2.93Å; M64-P66 VanDerWaalsContact C-CD 3.46Å; M64-F67 PolarHBondContact O-N 3.1Å; M64-Y68 HydrophobicContact CB-CE2 4.45Å; M64-Y68 HydrophobicContact CE-CE2 4.06Å; M64-P249 HydrophobicContact CE-CB 3.83Å; M64-P249 HydrophobicContact CE-CG 3.86Å; M64-P249 HydrophobicContact SD-CB 4.03Å; M64-P249 HydrophobicContact SD-CG 3.76Å; M64-A286 WeakPolarHBondContact CG-O 3.37Å; M64-L287 HydrophobicContact CE-CD2 3.87Å; M64-G290 VanDerWaalsContact CG-CA 3.46Å
65	L	98.4	Very high	97.4	Very high	74 Å²	74	55.1 Å²	55.1	39%	0.387	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-43.4	-169.9	-80.3	169.8	0	0	0	114.8	L61 F67 Y68 I69	L61-L65 HydrophobicContact CD1-CD2 4.47Å; L61-L65 HydrophobicContact CD1-CG 4.27Å; L61-L65 HydrophobicContact CG-CD1 4.3Å; L61-L65 HydrophobicContact CG-CG 4.36Å; L61-L65 WeakPolarHBondContact O-CG 3.31Å; L61-L65 PolarHBondContact O-N 3.24Å; L65-F67 PolarHBondContact O-N 2.9Å; L65-F67 VanDerWaalsContact O-N 3.14Å; L65-Y68 PolarHBondContact O-N 3.16Å; L65-Y68 VanDerWaalsContact O-N 3.09Å; L65-I69 PolarHBondContact O-N 3.17Å
66	P	97.9	Very high	97.4	Very high	49 Å²	49	55.2 Å²	55.2	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-56.8	-32.6	178.9	-27.3	35.7	0	0	0	113.6	D62 M64 Y68 I69 S70 H71	D62-P66 WeakPolarHBondContact O-CD 3.43Å; M64-P66 VanDerWaalsContact C-CD 3.46Å; P66-Y68 VanDerWaalsContact C-N 3.28Å; P66-Y68 PolarHBondContact O-N 3.4Å; P66-I69 PolarHBondContact O-N 2.8Å; P66-S70 PolarHBondContact O-N 2.79Å; P66-S70 PolarHBondContact O-OG 2.94Å; P66-H71 PolarHBondContact O-N 2.95Å
67	F	98.2	Very high	97.4	Very high	24 Å²	24	53.7 Å²	53.7	11%	0.105	28%	0.28	C	S	.	.	H	α-helix	trans	-79.3	-8.6	-177.1	-62.5	-83	0	0	0	114.1	A63 M64 L65 H71 Y85 A89 T285 A286 V289	A63-F67 WeakPolarHBondContact O-CD2 3.47Å; M64-F67 PolarHBondContact O-N 3.1Å; L65-F67 PolarHBondContact O-N 2.9Å; L65-F67 VanDerWaalsContact O-N 3.14Å; F67-H71 WeakPolarHBondContact CA-O 3.45Å; F67-H71 HydrophobicContact CD1-CB 3.73Å; F67-H71 WeakPolarHBondContact CD1-O 3.48Å; F67-H71 HydrophobicContact CE1-CB 4Å; F67-H71 HydrophobicContact CG-CB 4.37Å; F67-Y85 HydrophobicContact CE1-CD1 4.04Å; F67-Y85 AromaticContact CE1-CE1 3.77Å; F67-Y85 HydrophobicContact CE1-CE1 3.77Å; F67-Y85 AromaticContact CZ-CE1 3.97Å; F67-Y85 HydrophobicContact CZ-CE1 3.97Å; F67-A89 HydrophobicContact CD1-CB 4.43Å; F67-A89 HydrophobicContact CE1-CB 3.34Å; F67-A89 HydrophobicContact CE2-CB 4.41Å; F67-A89 HydrophobicContact CZ-CB 3.33Å; F67-T285 HydrophobicContact CB-CG2 4.46Å; F67-T285 HydrophobicContact CD1-CG2 3.41Å; F67-T285 VanDerWaalsContact CD1-CG2 3.41Å; F67-T285 HydrophobicContact CE1-CG2 3.88Å; F67-T285 HydrophobicContact CG-CG2 4.08Å; F67-A286 HydrophobicContact CB-CB 3.75Å; F67-V289 HydrophobicContact CD2-CB 4.19Å; F67-V289 HydrophobicContact CD2-CG1 4.03Å; F67-V289 HydrophobicContact CD2-CG2 3.92Å; F67-V289 HydrophobicContact CE1-CG2 4.34Å; F67-V289 HydrophobicContact CE2-CB 4.19Å; F67-V289 HydrophobicContact CE2-CG1 3.78Å; F67-V289 HydrophobicContact CE2-CG2 3.69Å; F67-V289 HydrophobicContact CG-CG2 4.36Å; F67-V289 HydrophobicContact CZ-CG2 3.91Å
68	Y	96.7	Very high	97.2	Very high	134 Å²	134	61.1 Å²	61.1	53%	0.525	31%	0.308	S	S	.	.	H	α-helix	trans	-94.6	-19.5	168.6	-71.2	-64.3	0	0	0	113.2	M64 L65 P66 A286 L287	M64-Y68 HydrophobicContact CB-CE2 4.45Å; M64-Y68 HydrophobicContact CE-CE2 4.06Å; L65-Y68 PolarHBondContact O-N 3.16Å; L65-Y68 VanDerWaalsContact O-N 3.09Å; P66-Y68 VanDerWaalsContact C-N 3.28Å; P66-Y68 PolarHBondContact O-N 3.4Å; Y68-A286 HydrophobicContact CD1-CB 4.22Å; Y68-A286 HydrophobicContact CD2-CB 3.94Å; Y68-A286 HydrophobicContact CE1-CB 3.79Å; Y68-A286 HydrophobicContact CE2-CB 3.48Å; Y68-A286 VanDerWaalsContact CE2-CB 3.48Å; Y68-A286 HydrophobicContact CG-CB 4.29Å; Y68-L287 WeakPolarHBondContact OH-CD2 3.27Å
69	I	95.9	Very high	97.2	Very high	124 Å²	124	64.6 Å²	64.6	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-112.4	-66.3	-169.5	-57	173.5	0	0	0	111	L65 P66 F72	L65-I69 PolarHBondContact O-N 3.17Å; P66-I69 PolarHBondContact O-N 2.8Å; I69-F72 WeakPolarHBondContact O-CD1 3.49Å
70	S	94.4	Very high	97.1	Very high	59 Å²	59	65.9 Å²	65.9	41%	0.413	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-25.6	-171.3	55.9	0	0	0	0	113.6	P66	P66-S70 PolarHBondContact O-N 2.79Å; P66-S70 PolarHBondContact O-OG 2.94Å
71	H	94.6	Very high	97	Very high	52 Å²	52	73 Å²	73	24%	0.241	37%	0.369	C	S	.	.			trans	-116.3	55.2	-175.7	-57.4	-47.5	0	0	0	111.4	P66 F67 G73 Y85 C86	P66-H71 PolarHBondContact O-N 2.95Å; F67-H71 WeakPolarHBondContact CA-O 3.45Å; F67-H71 HydrophobicContact CD1-CB 3.73Å; F67-H71 WeakPolarHBondContact CD1-O 3.48Å; F67-H71 HydrophobicContact CE1-CB 4Å; F67-H71 HydrophobicContact CG-CB 4.37Å; H71-G73 VanDerWaalsContact C-N 3.33Å; H71-G73 PolarHBondContact O-N 2.98Å; H71-Y85 HydrophobicContact CB-CD1 3.73Å; H71-Y85 HydrophobicContact CB-CE1 3.72Å; H71-Y85 AromaticContact CD2-CE1 3.22Å; H71-Y85 WeakPolarHBondContact CD2-CE1 3.4Å; H71-Y85 AromaticContact CD2-CZ 3.69Å; H71-Y85 AromaticContact CE1-CE1 3.72Å; H71-Y85 AromaticContact CE1-CZ 3.76Å; H71-Y85 AromaticContact CG-CD1 3.51Å; H71-Y85 AromaticContact CG-CE1 3.2Å; H71-Y85 AromaticContact CG-CZ 4Å; H71-Y85 AromaticContact ND1-CD1 3.61Å; H71-Y85 AromaticContact ND1-CE1 3.53Å; H71-Y85 AromaticContact NE2-CE1 3.6Å; H71-Y85 AromaticContact NE2-CZ 3.57Å; H71-Y85 PolarHBondContact NE2-OH 2.99Å; H71-C86 PolarHBondContact O-SG 2.86Å
72	F	95.6	Very high	97	Very high	140 Å²	140	75.3 Å²	75.3	61%	0.614	37%	0.373	S	S	*	.			trans	-88.4	9.6	-172.6	59.2	-95.2	0	0	0	114.6	I69 Y82	I69-F72 WeakPolarHBondContact O-CD1 3.49Å; F72-Y82 HydrophobicContact CE1-CE1 4.45Å; F72-Y82 HydrophobicContact CZ-CD1 4.48Å; F72-Y82 HydrophobicContact CZ-CE1 4.29Å
73	G	97.3	Very high	96.9	Very high	9 Å²	9	70.9 Å²	70.9	9%	0.093	35%	0.35	C	S	.	.			trans	-64	152.4	-175.4	0	0	0	0	0	113.6	H71 C86	H71-G73 VanDerWaalsContact C-N 3.33Å; H71-G73 PolarHBondContact O-N 2.98Å; G73-C86 PolarHBondContact N-SG 2.85Å; G73-C86 WeakPolarHBondContact O-CB 3.21Å; G73-C86 PolarHBondContact O-SG 3.33Å
74	N	97.7	Very high	96.9	Very high	62 Å²	62	76.3 Å²	76.3	33%	0.332	37%	0.365	S	S	.	.			trans	-75.6	123	169.5	-174.9	-22.7	0	0	0	109	H76 S77 G83	N74-H76 PolarHBondContact O-N 2.78Å; N74-H76 VanDerWaalsContact OD1-CB 3.32Å; N74-H76 WeakPolarHBondContact OD1-CB 3.38Å; N74-H76 PolarHBondContact OD1-CD2 3.29Å; N74-H76 PolarHBondContact OD1-N 2.8Å; N74-S77 WeakPolarHBondContact O-CB 3.31Å; N74-S77 PolarHBondContact O-N 2.9Å; N74-G83 VanDerWaalsContact O-CA 3.32Å; N74-G83 WeakPolarHBondContact O-CA 3.47Å
75	P	97.7	Very high	96.8	Very high	6 Å²	6	80.8 Å²	80.8	4%	0.039	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.5	-179.1	28.2	-35.3	0	0	0	112.9	C86 E87 V90 V283 T285	P75-C86 HydrophobicContact CB-CB 4.07Å; P75-E87 HydrophobicContact CB-CB 4.46Å; P75-V90 HydrophobicContact CB-CG2 4.09Å; P75-V90 HydrophobicContact CG-CG2 4.27Å; P75-V283 HydrophobicContact CG-CB 4.06Å; P75-T285 WeakPolarHBondContact CD-OG1 3.48Å
76	H	97	Very high	96.8	Very high	58 Å²	58	77.3 Å²	77.3	27%	0.269	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.1	174.3	-53.9	-56.9	0	0	0	113.3	N74 R78 Q274 V283	N74-H76 PolarHBondContact O-N 2.78Å; N74-H76 VanDerWaalsContact OD1-CB 3.32Å; N74-H76 WeakPolarHBondContact OD1-CB 3.38Å; N74-H76 PolarHBondContact OD1-CD2 3.29Å; N74-H76 PolarHBondContact OD1-N 2.8Å; H76-R78 PolarHBondContact O-N 3.38Å; H76-Q274 WeakPolarHBondContact CE1-CG 3.33Å; H76-Q274 WeakPolarHBondContact NE2-CG 3.31Å; H76-V283 PolarHBondContact NE2-N 2.99Å
77	S	96.9	Very high	96.8	Very high	34 Å²	34	77.5 Å²	77.5	24%	0.238	36%	0.36	C	S	.	.			trans	-75.3	108.7	176.2	-72.6	0	0	0	0	111.1	N74 H80 G83	N74-S77 WeakPolarHBondContact O-CB 3.31Å; N74-S77 PolarHBondContact O-N 2.9Å; S77-H80 VanDerWaalsContact CB-CE1 3.47Å; S77-H80 WeakPolarHBondContact CB-CE1 3.43Å; S77-H80 VanDerWaalsContact CB-NE2 3.27Å; S77-H80 WeakPolarHBondContact CB-NE2 3.46Å; S77-H80 PolarHBondContact OG-NE2 2.89Å; S77-G83 WeakPolarHBondContact O-CA 3.46Å
78	R	95.8	Very high	96.8	Very high	156 Å²	156	83 Å²	83	59%	0.589	39%	0.387	S	S	*	.			trans	-88	-10.1	-173.9	-64.4	-72.4	178.9	-177.3	-13.1	115.1	H76 W84 E87	H76-R78 PolarHBondContact O-N 3.38Å; R78-W84 PolarHBondContact O-NE1 3.01Å; R78-E87 IonicContact CZ-OE1 3.89Å; R78-E87 IonicContact CZ-OE2 2.9Å; R78-E87 IonicContact NH1-OE1 2.69Å; R78-E87 PolarHBondContact NH1-OE1 2.93Å; R78-E87 IonicContact NH1-OE2 3.79Å; R78-E87 PolarHBondContact NH1-OE2 3.12Å; R78-E87 IonicContact NH2-OE1 3.69Å; R78-E87 PolarHBondContact NH2-OE1 2.81Å
79	T	97.1	Very high	96.9	Very high	125 Å²	125	77.3 Å²	77.3	77%	0.767	37%	0.367	S	S	*	.	S	Bend	trans	-107.4	-2.8	-165.1	54.1	0	0	0	0	114.9
80	H	96.8	Very high	97	Very high	71 Å²	71	71.6 Å²	71.6	33%	0.329	34%	0.338	S	S	.	.	S	Bend	trans	-149.3	156.1	-176.6	62.5	67.8	0	0	0	112.4	S77 Y82 G83 W84	S77-H80 VanDerWaalsContact CB-CE1 3.47Å; S77-H80 WeakPolarHBondContact CB-CE1 3.43Å; S77-H80 VanDerWaalsContact CB-NE2 3.27Å; S77-H80 WeakPolarHBondContact CB-NE2 3.46Å; S77-H80 PolarHBondContact OG-NE2 2.89Å; H80-Y82 VanDerWaalsContact C-N 3.32Å; H80-Y82 PolarHBondContact ND1-N 3.35Å; H80-Y82 PolarHBondContact O-N 2.91Å; H80-G83 PolarHBondContact CE1-N 2.83Å; H80-G83 PolarHBondContact ND1-N 3.45Å; H80-G83 PolarHBondContact O-N 3.36Å; H80-W84 PolarHBondContact O-N 2.86Å
81	E	96.1	Very high	97.2	Very high	148 Å²	148	72 Å²	72	69%	0.692	33%	0.333	S	S	*	.	H	α-helix	trans	-58.4	-36.7	-172.3	-165.5	176.1	-168.6	0	0	114	G83 W84 Y85	E81-G83 PolarHBondContact O-N 2.77Å; E81-W84 HydrophobicContact CB-CE3 4.29Å; E81-W84 PolarHBondContact O-N 2.87Å; E81-Y85 WeakPolarHBondContact O-CB 3.34Å; E81-Y85 PolarHBondContact O-N 3.45Å
82	Y	97.2	Very high	97.4	Very high	131 Å²	131	76.6 Å²	76.6	51%	0.514	35%	0.353	S	S	.	.	H	α-helix	trans	-58	-33.8	176	-61	-88.7	0	0	0	113.1	F72 H80 C86	F72-Y82 HydrophobicContact CE1-CE1 4.45Å; F72-Y82 HydrophobicContact CZ-CD1 4.48Å; F72-Y82 HydrophobicContact CZ-CE1 4.29Å; H80-Y82 VanDerWaalsContact C-N 3.32Å; H80-Y82 PolarHBondContact ND1-N 3.35Å; H80-Y82 PolarHBondContact O-N 2.91Å; Y82-C86 PolarHBondContact O-SG 2.92Å; Y82-C86 VanDerWaalsContact O-SG 3.38Å
83	G	97.7	Very high	97.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-77.2	-42.6	177.9	0	0	0	0	0	111.6	N74 S77 H80 E81 Y85 C86 E87	N74-G83 VanDerWaalsContact O-CA 3.32Å; N74-G83 WeakPolarHBondContact O-CA 3.47Å; S77-G83 WeakPolarHBondContact O-CA 3.46Å; H80-G83 PolarHBondContact CE1-N 2.83Å; H80-G83 PolarHBondContact ND1-N 3.45Å; H80-G83 PolarHBondContact O-N 3.36Å; E81-G83 PolarHBondContact O-N 2.77Å; G83-Y85 PolarHBondContact O-N 2.84Å; G83-C86 PolarHBondContact O-N 3.26Å; G83-E87 WeakPolarHBondContact O-CB 3.4Å; G83-E87 PolarHBondContact O-N 3.46Å
84	W	97.8	Very high	97.7	Very high	140 Å²	140	69.9 Å²	69.9	53%	0.53	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-44.1	177.8	-55	-23.1	0	0	0	112.4	R78 H80 E81 C86 E87 E88	R78-W84 PolarHBondContact O-NE1 3.01Å; H80-W84 PolarHBondContact O-N 2.86Å; E81-W84 HydrophobicContact CB-CE3 4.29Å; E81-W84 PolarHBondContact O-N 2.87Å; W84-C86 VanDerWaalsContact C-N 3.34Å; W84-C86 PolarHBondContact O-N 3.31Å; W84-E87 PolarHBondContact O-N 3.21Å; W84-E88 PolarHBondContact O-N 3.1Å
85	Y	96.3	Very high	97.7	Very high	101 Å²	101	67.7 Å²	67.7	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-42.2	178.1	-170.3	-88	0	0	0	111.9	F67 H71 E81 G83 A89	F67-Y85 HydrophobicContact CE1-CD1 4.04Å; F67-Y85 AromaticContact CE1-CE1 3.77Å; F67-Y85 HydrophobicContact CE1-CE1 3.77Å; F67-Y85 AromaticContact CZ-CE1 3.97Å; F67-Y85 HydrophobicContact CZ-CE1 3.97Å; H71-Y85 HydrophobicContact CB-CD1 3.73Å; H71-Y85 HydrophobicContact CB-CE1 3.72Å; H71-Y85 AromaticContact CD2-CE1 3.22Å; H71-Y85 WeakPolarHBondContact CD2-CE1 3.4Å; H71-Y85 AromaticContact CD2-CZ 3.69Å; H71-Y85 AromaticContact CE1-CE1 3.72Å; H71-Y85 AromaticContact CE1-CZ 3.76Å; H71-Y85 AromaticContact CG-CD1 3.51Å; H71-Y85 AromaticContact CG-CE1 3.2Å; H71-Y85 AromaticContact CG-CZ 4Å; H71-Y85 AromaticContact ND1-CD1 3.61Å; H71-Y85 AromaticContact ND1-CE1 3.53Å; H71-Y85 AromaticContact NE2-CE1 3.6Å; H71-Y85 AromaticContact NE2-CZ 3.57Å; H71-Y85 PolarHBondContact NE2-OH 2.99Å; E81-Y85 WeakPolarHBondContact O-CB 3.34Å; E81-Y85 PolarHBondContact O-N 3.45Å; G83-Y85 PolarHBondContact O-N 2.84Å; Y85-A89 PolarHBondContact O-N 3.12Å; Y85-A89 VanDerWaalsContact O-N 3.1Å
86	C	98.2	Very high	97.8	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.007	32%	0.319	C	S	.	.	H	α-helix	trans	-69.1	-37.4	175.9	-71.2	0	0	0	0	112.5	H71 G73 P75 Y82 G83 W84 A89 V90 T285	H71-C86 PolarHBondContact O-SG 2.86Å; G73-C86 PolarHBondContact N-SG 2.85Å; G73-C86 WeakPolarHBondContact O-CB 3.21Å; G73-C86 PolarHBondContact O-SG 3.33Å; P75-C86 HydrophobicContact CB-CB 4.07Å; Y82-C86 PolarHBondContact O-SG 2.92Å; Y82-C86 VanDerWaalsContact O-SG 3.38Å; G83-C86 PolarHBondContact O-N 3.26Å; W84-C86 VanDerWaalsContact C-N 3.34Å; W84-C86 PolarHBondContact O-N 3.31Å; C86-A89 PolarHBondContact O-N 3.35Å; C86-V90 VanDerWaalsContact O-CG2 3.31Å; C86-V90 WeakPolarHBondContact O-CG2 3.29Å; C86-V90 PolarHBondContact O-N 3.44Å; C86-T285 HydrophobicContact CB-CG2 3.84Å
87	E	98.2	Very high	97.8	Very high	52 Å²	52	66 Å²	66	24%	0.243	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-46.2	174	-177.6	173.2	-153.5	0	0	111.1	P75 R78 G83 W84 A89 V90 E91	P75-E87 HydrophobicContact CB-CB 4.46Å; R78-E87 IonicContact CZ-OE1 3.89Å; R78-E87 IonicContact CZ-OE2 2.9Å; R78-E87 IonicContact NH1-OE1 2.69Å; R78-E87 PolarHBondContact NH1-OE1 2.93Å; R78-E87 IonicContact NH1-OE2 3.79Å; R78-E87 PolarHBondContact NH1-OE2 3.12Å; R78-E87 IonicContact NH2-OE1 3.69Å; R78-E87 PolarHBondContact NH2-OE1 2.81Å; G83-E87 WeakPolarHBondContact O-CB 3.4Å; G83-E87 PolarHBondContact O-N 3.46Å; W84-E87 PolarHBondContact O-N 3.21Å; E87-A89 VanDerWaalsContact C-N 3.33Å; E87-A89 PolarHBondContact O-N 3.03Å; E87-V90 PolarHBondContact O-N 3.29Å; E87-E91 PolarHBondContact O-N 2.88Å
88	E	98.3	Very high	97.9	Very high	140 Å²	140	64.3 Å²	64.3	65%	0.654	30%	0.295	S	S	*	.	H	α-helix	trans	-58.8	-44.6	176.4	-174.3	-178.2	178.1	0	0	111.5	W84 V90 E91 K92	W84-E88 PolarHBondContact O-N 3.1Å; E88-V90 PolarHBondContact O-N 2.93Å; E88-E91 PolarHBondContact O-N 3.31Å; E88-K92 WeakPolarHBondContact O-CB 3.38Å; E88-K92 PolarHBondContact O-N 3.46Å
89	A	98.5	Very high	98.1	Very high	14 Å²	14	62.5 Å²	62.5	12%	0.116	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-40.5	177.3	0	0	0	0	0	112.7	F67 Y85 C86 E87 A93 T285 V289	F67-A89 HydrophobicContact CD1-CB 4.43Å; F67-A89 HydrophobicContact CE1-CB 3.34Å; F67-A89 HydrophobicContact CE2-CB 4.41Å; F67-A89 HydrophobicContact CZ-CB 3.33Å; Y85-A89 PolarHBondContact O-N 3.12Å; Y85-A89 VanDerWaalsContact O-N 3.1Å; C86-A89 PolarHBondContact O-N 3.35Å; E87-A89 VanDerWaalsContact C-N 3.33Å; E87-A89 PolarHBondContact O-N 3.03Å; A89-A93 WeakPolarHBondContact O-CB 3.34Å; A89-A93 PolarHBondContact O-N 3.19Å; A89-T285 HydrophobicContact CB-CG2 4.41Å; A89-V289 HydrophobicContact CB-CG2 3.86Å
90	V	98.7	Very high	98.1	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-46.1	174.8	165.2	0	0	0	0	111	P75 C86 E87 E88 A93 R94 F110 V283 T285 V288	P75-V90 HydrophobicContact CB-CG2 4.09Å; P75-V90 HydrophobicContact CG-CG2 4.27Å; C86-V90 VanDerWaalsContact O-CG2 3.31Å; C86-V90 WeakPolarHBondContact O-CG2 3.29Å; C86-V90 PolarHBondContact O-N 3.44Å; E87-V90 PolarHBondContact O-N 3.29Å; E88-V90 PolarHBondContact O-N 2.93Å; V90-A93 PolarHBondContact O-N 2.7Å; V90-R94 WeakPolarHBondContact O-CB 3.06Å; V90-R94 PolarHBondContact O-N 2.77Å; V90-F110 HydrophobicContact CG1-CD2 4.38Å; V90-F110 HydrophobicContact CG1-CE2 3.91Å; V90-V283 HydrophobicContact CG1-CG1 4.05Å; V90-V283 HydrophobicContact CG2-CG1 3.95Å; V90-T285 HydrophobicContact CG2-CG2 4.17Å; V90-V288 HydrophobicContact CB-CG1 4.34Å; V90-V288 HydrophobicContact CG1-CG1 4.27Å; V90-V288 HydrophobicContact CG2-CG1 4.13Å
91	E	98.6	Very high	98.2	Very high	67 Å²	67	54 Å²	54	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-70.6	-34.2	-179.3	-68.3	-55.4	118.9	0	0	112.5	E87 E88 R94 G95	E87-E91 PolarHBondContact O-N 2.88Å; E88-E91 PolarHBondContact O-N 3.31Å; E91-R94 WeakPolarHBondContact O-CB 3.26Å; E91-R94 PolarHBondContact O-N 2.77Å; E91-R94 IonicContact OE1-CZ 3.9Å; E91-R94 IonicContact OE1-NE 2.73Å; E91-R94 PolarHBondContact OE1-NE 3.05Å; E91-R94 IonicContact OE1-NH2 2.77Å; E91-R94 PolarHBondContact OE1-NH2 2.81Å; E91-R94 VanDerWaalsContact OE1-NH2 3.08Å; E91-R94 IonicContact OE2-NE 3.59Å; E91-R94 PolarHBondContact OE2-NE 3.17Å; E91-G95 PolarHBondContact O-N 3.41Å
92	K	98.7	Very high	98.3	Very high	148 Å²	148	48.4 Å²	48.4	64%	0.643	23%	0.23	S	C	*	.	H	α-helix	trans	-60.8	-48.3	170.1	-178	-178.7	177.8	-175.6	0	111.4	E88 R94 G95 N96	E88-K92 WeakPolarHBondContact O-CB 3.38Å; E88-K92 PolarHBondContact O-N 3.46Å; K92-R94 VanDerWaalsContact C-N 3.3Å; K92-R94 PolarHBondContact O-N 3.37Å; K92-G95 PolarHBondContact O-N 2.92Å; K92-N96 PolarHBondContact O-N 3.17Å
93	A	98.8	Very high	98.3	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-40.4	177.1	0	0	0	0	0	111.8	A89 V90 G95 N96 V97 V288	A89-A93 WeakPolarHBondContact O-CB 3.34Å; A89-A93 PolarHBondContact O-N 3.19Å; V90-A93 PolarHBondContact O-N 2.7Å; A93-G95 VanDerWaalsContact C-N 3.31Å; A93-G95 PolarHBondContact O-N 3.11Å; A93-N96 PolarHBondContact O-N 2.96Å; A93-V97 WeakPolarHBondContact O-CG2 3.5Å; A93-V97 PolarHBondContact O-N 3.37Å; A93-V288 HydrophobicContact CB-CG1 3.6Å; A93-V288 WeakPolarHBondContact CB-O 3.34Å
94	R	98.8	Very high	98.4	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-42	174.7	-162.5	-173.4	-57.8	-80.2	1	111.7	V90 E91 K92 V97 A98 H105 I108 F110 E275	V90-R94 WeakPolarHBondContact O-CB 3.06Å; V90-R94 PolarHBondContact O-N 2.77Å; E91-R94 WeakPolarHBondContact O-CB 3.26Å; E91-R94 PolarHBondContact O-N 2.77Å; E91-R94 IonicContact OE1-CZ 3.9Å; E91-R94 IonicContact OE1-NE 2.73Å; E91-R94 PolarHBondContact OE1-NE 3.05Å; E91-R94 IonicContact OE1-NH2 2.77Å; E91-R94 PolarHBondContact OE1-NH2 2.81Å; E91-R94 VanDerWaalsContact OE1-NH2 3.08Å; E91-R94 IonicContact OE2-NE 3.59Å; E91-R94 PolarHBondContact OE2-NE 3.17Å; K92-R94 VanDerWaalsContact C-N 3.3Å; K92-R94 PolarHBondContact O-N 3.37Å; R94-V97 PolarHBondContact O-N 3.2Å; R94-A98 WeakPolarHBondContact O-CB 3.43Å; R94-A98 PolarHBondContact O-N 3.03Å; R94-H105 WeakPolarHBondContact CD-O 3.37Å; R94-H105 HydrophobicContact CG-CB 4.29Å; R94-H105 WeakPolarHBondContact CG-O 3.43Å; R94-I108 HydrophobicContact CG-CB 3.71Å; R94-I108 HydrophobicContact CG-CG1 4.43Å; R94-I108 HydrophobicContact CG-CG2 3.98Å; R94-I108 PolarHBondContact NH1-O 2.6Å; R94-F110 HydrophobicContact CB-CE2 3.96Å; R94-F110 HydrophobicContact CB-CZ 3.85Å; R94-F110 HydrophobicContact CG-CE2 4.14Å; R94-F110 HydrophobicContact CG-CZ 4.17Å; R94-F110 VanDerWaalsContact CZ-CE2 3.48Å; R94-E275 IonicContact CZ-OE1 3.2Å; R94-E275 IonicContact CZ-OE2 2.74Å; R94-E275 IonicContact NH1-OE1 2.77Å; R94-E275 IonicContact NH1-OE2 3.91Å; R94-E275 PolarHBondContact NH1-OE2 3.49Å; R94-E275 IonicContact NH2-OE1 3.76Å; R94-E275 PolarHBondContact NH2-OE1 3.36Å; R94-E275 IonicContact NH2-OE2 3.64Å
95	G	98.8	Very high	98.4	Very high	16 Å²	16	43 Å²	43	17%	0.165	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-46.3	173	0	0	0	0	0	112.7	E91 K92 A93 V97 A98 N99	E91-G95 PolarHBondContact O-N 3.41Å; K92-G95 PolarHBondContact O-N 2.92Å; A93-G95 VanDerWaalsContact C-N 3.31Å; A93-G95 PolarHBondContact O-N 3.11Å; G95-V97 PolarHBondContact O-N 3.34Å; G95-A98 PolarHBondContact O-N 2.87Å; G95-N99 WeakPolarHBondContact O-CB 3.27Å; G95-N99 PolarHBondContact O-N 2.95Å; G95-N99 PolarHBondContact O-ND2 2.83Å; G95-N99 PolarHBondContact O-OD1 3.24Å
96	N	98.7	Very high	98.5	Very high	28 Å²	28	42.7 Å²	42.7	15%	0.15	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-41.5	178.2	-68.7	-11.3	0	0	0	112.7	K92 A93 Q100 G292 R296	K92-N96 PolarHBondContact O-N 3.17Å; A93-N96 PolarHBondContact O-N 2.96Å; N96-Q100 PolarHBondContact O-N 2.84Å; N96-G292 WeakPolarHBondContact CB-O 3.35Å; N96-G292 PolarHBondContact ND2-O 3.44Å; N96-G292 VanDerWaalsContact ND2-O 3.09Å; N96-R296 HydrophobicContact CB-CB 4.38Å
97	V	98.9	Very high	98.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-45.3	175.5	175.9	0	0	0	0	110.5	A93 R94 G95 Q100 I108 F110 F224 I241 A254 L291 S295	A93-V97 WeakPolarHBondContact O-CG2 3.5Å; A93-V97 PolarHBondContact O-N 3.37Å; R94-V97 PolarHBondContact O-N 3.2Å; G95-V97 PolarHBondContact O-N 3.34Å; V97-Q100 PolarHBondContact O-N 2.91Å; V97-I108 HydrophobicContact CB-CG2 4.27Å; V97-I108 HydrophobicContact CG1-CD1 4.14Å; V97-I108 HydrophobicContact CG1-CG1 4.31Å; V97-I108 HydrophobicContact CG1-CG2 3.87Å; V97-F110 HydrophobicContact CG2-CE1 4.45Å; V97-F224 HydrophobicContact CG1-CE2 4.43Å; V97-F224 HydrophobicContact CG1-CZ 4.07Å; V97-I241 HydrophobicContact CG1-CD1 3.89Å; V97-A254 HydrophobicContact CG1-CB 4.31Å; V97-L291 HydrophobicContact CG2-CD2 4.19Å; V97-L291 HydrophobicContact CG2-CG 3.88Å; V97-S295 WeakPolarHBondContact CG2-OG 3.38Å
98	A	98.8	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-44	-178.8	0	0	0	0	0	112.4	R94 G95 Q100 I101 G102 A103 H105 I108	R94-A98 WeakPolarHBondContact O-CB 3.43Å; R94-A98 PolarHBondContact O-N 3.03Å; G95-A98 PolarHBondContact O-N 2.87Å; A98-Q100 VanDerWaalsContact C-N 3.26Å; A98-Q100 PolarHBondContact O-N 2.77Å; A98-I101 WeakPolarHBondContact O-CG1 3.36Å; A98-I101 PolarHBondContact O-N 3.24Å; A98-G102 PolarHBondContact O-N 2.92Å; A98-G102 VanDerWaalsContact O-N 3.17Å; A98-A103 HydrophobicContact CB-CB 4.23Å; A98-A103 WeakPolarHBondContact CB-O 3.3Å; A98-A103 PolarHBondContact O-N 2.82Å; A98-H105 HydrophobicContact CB-CB 4.29Å; A98-I108 HydrophobicContact CB-CD1 4.26Å; A98-I108 HydrophobicContact CB-CG1 3.69Å
99	N	98.5	Very high	98.5	Very high	117 Å²	117	34.3 Å²	34.3	63%	0.626	18%	0.181	S	C	*	.	H	α-helix	trans	-60.7	-34.7	-179.5	-71.4	-15.7	0	0	0	112.5	G95 I101 G102	G95-N99 WeakPolarHBondContact O-CB 3.27Å; G95-N99 PolarHBondContact O-N 2.95Å; G95-N99 PolarHBondContact O-ND2 2.83Å; G95-N99 PolarHBondContact O-OD1 3.24Å; N99-I101 PolarHBondContact O-N 3.15Å; N99-G102 PolarHBondContact O-N 2.98Å
100	Q	98	Very high	98.5	Very high	19 Å²	19	33.9 Å²	33.9	9%	0.089	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-35.6	-180	-160.4	-67.3	-35.9	0	0	111.8	N96 V97 A98 F224 S299	N96-Q100 PolarHBondContact O-N 2.84Å; V97-Q100 PolarHBondContact O-N 2.91Å; A98-Q100 VanDerWaalsContact C-N 3.26Å; A98-Q100 PolarHBondContact O-N 2.77Å; Q100-F224 HydrophobicContact CB-CE2 3.94Å; Q100-F224 HydrophobicContact CB-CZ 3.92Å; Q100-F224 HydrophobicContact CG-CE2 4.17Å; Q100-F224 HydrophobicContact CG-CZ 4.12Å; Q100-S299 WeakPolarHBondContact CG-OG 3.4Å
101	I	98.6	Very high	98.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	10.6	-174.6	56.4	167.7	0	0	0	114.1	A98 N99 A103 I108 F224 I229 D230 V231 M239 I241 Y256	A98-I101 WeakPolarHBondContact O-CG1 3.36Å; A98-I101 PolarHBondContact O-N 3.24Å; N99-I101 PolarHBondContact O-N 3.15Å; I101-A103 VanDerWaalsContact C-N 3.29Å; I101-A103 HydrophobicContact CD1-CB 3.9Å; I101-A103 HydrophobicContact CG1-CB 3.82Å; I101-A103 PolarHBondContact O-N 2.99Å; I101-I108 HydrophobicContact CD1-CD1 4.05Å; I101-F224 HydrophobicContact CG2-CD2 3.58Å; I101-F224 HydrophobicContact CG2-CE2 3.56Å; I101-I229 WeakPolarHBondContact CA-O 3.39Å; I101-I229 HydrophobicContact CG2-CB 4.47Å; I101-I229 HydrophobicContact CG2-CG2 4.1Å; I101-D230 WeakPolarHBondContact O-CA 3.41Å; I101-V231 HydrophobicContact CB-CG1 4.16Å; I101-V231 HydrophobicContact CD1-CG1 3.89Å; I101-V231 HydrophobicContact CG1-CG1 4.36Å; I101-V231 WeakPolarHBondContact O-CG2 3.47Å; I101-V231 PolarHBondContact O-N 2.95Å; I101-M239 HydrophobicContact CD1-SD 4.25Å; I101-M239 HydrophobicContact CG2-CE 4.49Å; I101-M239 HydrophobicContact CG2-SD 3.93Å; I101-I241 HydrophobicContact CD1-CD1 4.26Å; I101-Y256 HydrophobicContact CD1-CD2 4.12Å; I101-Y256 HydrophobicContact CD1-CG 4.18Å
102	G	98.1	Very high	98.6	Very high	29 Å²	29	33.3 Å²	33.3	30%	0.299	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	25.5	-177.3	0	0	0	0	0	114.5	A98 N99 N232	A98-G102 PolarHBondContact O-N 2.92Å; A98-G102 VanDerWaalsContact O-N 3.17Å; N99-G102 PolarHBondContact O-N 2.98Å; G102-N232 PolarHBondContact O-ND2 3.2Å
103	A	98.6	Very high	98.6	Very high	13 Å²	13	26.7 Å²	26.7	11%	0.107	15%	0.154	C	C	.	.			trans	-92.6	163.3	-179.8	0	0	0	0	0	112.8	A98 I101 I108 V231 Y256	A98-A103 HydrophobicContact CB-CB 4.23Å; A98-A103 WeakPolarHBondContact CB-O 3.3Å; A98-A103 PolarHBondContact O-N 2.82Å; I101-A103 VanDerWaalsContact C-N 3.29Å; I101-A103 HydrophobicContact CD1-CB 3.9Å; I101-A103 HydrophobicContact CG1-CB 3.82Å; I101-A103 PolarHBondContact O-N 2.99Å; A103-I108 HydrophobicContact CB-CD1 4.27Å; A103-V231 HydrophobicContact CB-CG2 4.05Å; A103-Y256 HydrophobicContact CB-CD2 3.69Å; A103-Y256 HydrophobicContact CB-CE2 3.6Å
104	D	98.2	Very high	98.5	Very high	73 Å²	73	27 Å²	27	39%	0.39	16%	0.157	S	C	.	.			trans	-80.5	139.8	163.1	-179.2	-70.7	0	0	0	109.6	K106 E107	D104-K106 PolarHBondContact O-N 3.14Å; D104-K106 WeakPolarHBondContact OD1-CA 3.48Å; D104-K106 WeakPolarHBondContact OD1-CB 3.38Å; D104-K106 WeakPolarHBondContact OD1-CG 3.28Å; D104-K106 PolarHBondContact OD1-N 3.26Å; D104-E107 HydrophobicContact CB-CG 4.09Å; D104-E107 PolarHBondContact N-OE2 3.23Å; D104-E107 VanDerWaalsContact O-CB 3.26Å; D104-E107 WeakPolarHBondContact O-CB 3.48Å; D104-E107 PolarHBondContact O-N 3.35Å
105	H	97.9	Very high	98.5	Very high	72 Å²	72	30.7 Å²	30.7	33%	0.333	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-55.9	-27.9	-179.3	63.2	-92.9	0	0	0	113	R94 A98 E107 I108	R94-H105 WeakPolarHBondContact CD-O 3.37Å; R94-H105 HydrophobicContact CG-CB 4.29Å; R94-H105 WeakPolarHBondContact CG-O 3.43Å; A98-H105 HydrophobicContact CB-CB 4.29Å; H105-E107 PolarHBondContact O-N 3.3Å; H105-I108 PolarHBondContact O-N 3.34Å
106	K	97.8	Very high	98.5	Very high	95 Å²	95	31.4 Å²	31.4	41%	0.413	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-71.4	-10.3	177.3	-59.3	175	-178.8	169.9	0	113.6	D104 R259 R276	D104-K106 PolarHBondContact O-N 3.14Å; D104-K106 WeakPolarHBondContact OD1-CA 3.48Å; D104-K106 WeakPolarHBondContact OD1-CB 3.38Å; D104-K106 WeakPolarHBondContact OD1-CG 3.28Å; D104-K106 PolarHBondContact OD1-N 3.26Å; K106-R259 VanDerWaalsContact CB-NH1 3.27Å; K106-R276 PolarHBondContact O-NH1 2.88Å; K106-R276 VanDerWaalsContact O-NH1 3.15Å
107	E	98.6	Very high	98.6	Very high	13 Å²	13	30.1 Å²	30.1	6%	0.061	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-90.5	-10.2	176.4	-55.8	-176.3	117.4	0	0	112.1	D104 H105 Y256 V257 R258 R259	D104-E107 HydrophobicContact CB-CG 4.09Å; D104-E107 PolarHBondContact N-OE2 3.23Å; D104-E107 VanDerWaalsContact O-CB 3.26Å; D104-E107 WeakPolarHBondContact O-CB 3.48Å; D104-E107 PolarHBondContact O-N 3.35Å; H105-E107 PolarHBondContact O-N 3.3Å; E107-Y256 HydrophobicContact CB-CD2 3.7Å; E107-Y256 HydrophobicContact CB-CE2 3.54Å; E107-Y256 HydrophobicContact CG-CE2 4.16Å; E107-Y256 CarbonylContact O-C 2.97Å; E107-Y256 WeakPolarHBondContact O-CA 3.42Å; E107-Y256 WeakPolarHBondContact OE2-CE2 3.43Å; E107-V257 WeakPolarHBondContact CB-O 3.38Å; E107-V257 PolarHBondContact O-N 3.34Å; E107-R258 WeakPolarHBondContact OE1-CA 3.43Å; E107-R259 HydrophobicContact CG-CB 4.13Å; E107-R259 HydrophobicContact CG-CG 3.85Å; E107-R259 PolarHBondContact OE1-N 3Å
108	I	98.8	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.5	178.9	-53.9	-53.9	0	0	0	110.2	R94 V97 A98 I101 A103 H105 F110 A254 Y256 R276	R94-I108 HydrophobicContact CG-CB 3.71Å; R94-I108 HydrophobicContact CG-CG1 4.43Å; R94-I108 HydrophobicContact CG-CG2 3.98Å; R94-I108 PolarHBondContact NH1-O 2.6Å; V97-I108 HydrophobicContact CB-CG2 4.27Å; V97-I108 HydrophobicContact CG1-CD1 4.14Å; V97-I108 HydrophobicContact CG1-CG1 4.31Å; V97-I108 HydrophobicContact CG1-CG2 3.87Å; A98-I108 HydrophobicContact CB-CD1 4.26Å; A98-I108 HydrophobicContact CB-CG1 3.69Å; I101-I108 HydrophobicContact CD1-CD1 4.05Å; A103-I108 HydrophobicContact CB-CD1 4.27Å; H105-I108 PolarHBondContact O-N 3.34Å; I108-F110 HydrophobicContact CG2-CE1 4.43Å; I108-A254 HydrophobicContact CG2-CB 3.88Å; I108-Y256 HydrophobicContact CD1-CD2 4.26Å; I108-R276 PolarHBondContact O-NH1 2.64Å
109	I	98.8	Very high	98.6	Very high	3 Å²	3	32 Å²	32	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.8	176.3	-55.2	-57	0	0	0	108.2	L120 A254 L255 V257 E275 L278 R279	I109-L120 HydrophobicContact CG2-CD2 4.5Å; I109-A254 CarbonylContact O-C 3.31Å; I109-A254 WeakPolarHBondContact O-CA 3.38Å; I109-L255 HydrophobicContact CB-CB 4.47Å; I109-L255 WeakPolarHBondContact CB-O 3.48Å; I109-L255 PolarHBondContact N-O 3.29Å; I109-L255 PolarHBondContact O-N 3.1Å; I109-V257 HydrophobicContact CG1-CG2 4.03Å; I109-E275 WeakPolarHBondContact CA-OE2 3.3Å; I109-E275 HydrophobicContact CG2-CB 3.97Å; I109-L278 HydrophobicContact CD1-CD1 3.93Å; I109-L278 HydrophobicContact CG1-CD1 3.92Å; I109-L278 HydrophobicContact CG2-CB 4.27Å; I109-R279 HydrophobicContact CG2-CB 3.9Å
110	F	98.9	Very high	98.6	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.022	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139	177.5	-68.3	-61.1	0	0	0	111.8	V90 R94 V97 I108 A254 E275 V283 V288 L291	V90-F110 HydrophobicContact CG1-CD2 4.38Å; V90-F110 HydrophobicContact CG1-CE2 3.91Å; R94-F110 HydrophobicContact CB-CE2 3.96Å; R94-F110 HydrophobicContact CB-CZ 3.85Å; R94-F110 HydrophobicContact CG-CE2 4.14Å; R94-F110 HydrophobicContact CG-CZ 4.17Å; R94-F110 VanDerWaalsContact CZ-CE2 3.48Å; V97-F110 HydrophobicContact CG2-CE1 4.45Å; I108-F110 HydrophobicContact CG2-CE1 4.43Å; F110-A254 HydrophobicContact CD1-CB 4.36Å; F110-E275 PolarHBondContact N-OE2 3.32Å; F110-V283 HydrophobicContact CD2-CG1 4.22Å; F110-V288 HydrophobicContact CB-CG2 4.27Å; F110-V288 HydrophobicContact CD1-CG1 4.37Å; F110-V288 HydrophobicContact CD1-CG2 3.85Å; F110-V288 HydrophobicContact CD2-CG1 4.11Å; F110-V288 HydrophobicContact CD2-CG2 3.85Å; F110-V288 HydrophobicContact CE1-CB 4.46Å; F110-V288 HydrophobicContact CE1-CG1 3.8Å; F110-V288 HydrophobicContact CE1-CG2 4.12Å; F110-V288 HydrophobicContact CE2-CB 4.48Å; F110-V288 HydrophobicContact CE2-CG1 3.49Å; F110-V288 VanDerWaalsContact CE2-CG1 3.49Å; F110-V288 HydrophobicContact CE2-CG2 4.12Å; F110-V288 HydrophobicContact CG-CG2 3.72Å; F110-V288 HydrophobicContact CZ-CB 4.38Å; F110-V288 HydrophobicContact CZ-CG1 3.33Å; F110-V288 HydrophobicContact CZ-CG2 4.26Å; F110-L291 HydrophobicContact CD1-CD2 4.1Å; F110-L291 HydrophobicContact CE1-CD2 3.98Å
111	T	98.9	Very high	98.6	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	174.1	178.9	68.7	0	0	0	0	109.4	G113 E116 S117 I252 G253 L255	T111-G113 PolarHBondContact O-N 3.02Å; T111-G113 PolarHBondContact OG1-N 3.45Å; T111-G113 PolarHBondContact OG1-O 2.96Å; T111-G113 VanDerWaalsContact OG1-O 3.13Å; T111-E116 HydrophobicContact CG2-CG 4.42Å; T111-S117 WeakPolarHBondContact CG2-OG 3.46Å; T111-S117 PolarHBondContact OG1-OG 2.76Å; T111-I252 WeakPolarHBondContact O-CD1 3.14Å; T111-G253 PolarHBondContact N-O 2.86Å; T111-G253 PolarHBondContact O-N 3.1Å; T111-L255 HydrophobicContact CG2-CB 4.3Å
112	S	98.8	Very high	98.6	Very high	58 Å²	58	25.7 Å²	25.7	41%	0.406	15%	0.149	S	C	.	.	S	Bend	trans	-76.4	-1.3	174.6	62.1	0	0	0	0	114.2	E116 G251 I252	S112-E116 WeakPolarHBondContact CA-OE2 3.42Å; S112-E116 WeakPolarHBondContact CB-OE2 3.16Å; S112-E116 PolarHBondContact N-OE2 3.43Å; S112-E116 PolarHBondContact OG-OE2 3.42Å; S112-G251 CarbonylContact O-C 3.56Å; S112-G251 WeakPolarHBondContact O-CA 3.43Å; S112-I252 PolarHBondContact O-N 3.19Å
113	G	98.6	Very high	98.7	Very high	10 Å²	10	25.9 Å²	25.9	10%	0.103	14%	0.142	C	C	.	.	S	Bend	trans	150.1	173.4	-178.7	0	0	0	0	0	112.4	T111 T115 E116 S117	T111-G113 PolarHBondContact O-N 3.02Å; T111-G113 PolarHBondContact OG1-N 3.45Å; T111-G113 PolarHBondContact OG1-O 2.96Å; T111-G113 VanDerWaalsContact OG1-O 3.13Å; G113-T115 PolarHBondContact O-N 2.97Å; G113-E116 PolarHBondContact O-N 3.36Å; G113-S117 PolarHBondContact O-N 2.67Å; G113-S117 PolarHBondContact O-OG 2.94Å
114	A	98.5	Very high	98.7	Very high	10 Å²	10	25.3 Å²	25.3	8%	0.083	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-27.9	-179.9	0	0	0	0	0	113.7	S117 N118 A221	A114-S117 PolarHBondContact O-N 2.87Å; A114-N118 WeakPolarHBondContact O-CB 3.24Å; A114-N118 VanDerWaalsContact O-CG 3.3Å; A114-N118 PolarHBondContact O-N 3.15Å; A114-N118 PolarHBondContact O-ND2 2.95Å; A114-A221 HydrophobicContact CB-CB 3.69Å
115	T	98.7	Very high	98.7	Very high	82 Å²	82	21.8 Å²	21.8	50%	0.503	12%	0.118	S	C	.	.	H	α-helix	trans	-59.9	-47.1	172.6	-61.8	0	0	0	0	111.8	G113 N119 C145	G113-T115 PolarHBondContact O-N 2.97Å; T115-N119 PolarHBondContact O-N 3.28Å; T115-N119 VanDerWaalsContact O-N 3.15Å; T115-N119 PolarHBondContact O-ND2 3.22Å; T115-C145 HydrophobicContact CG2-CB 3.83Å
116	E	98.8	Very high	98.7	Very high	31 Å²	31	18.4 Å²	18.4	15%	0.145	10%	0.102	C	C	.	.	H	α-helix	trans	-67.2	-41.8	175.7	-175.8	-177.4	162.7	0	0	110.7	T111 S112 G113 N118 N119 L120 R279	T111-E116 HydrophobicContact CG2-CG 4.42Å; S112-E116 WeakPolarHBondContact CA-OE2 3.42Å; S112-E116 WeakPolarHBondContact CB-OE2 3.16Å; S112-E116 PolarHBondContact N-OE2 3.43Å; S112-E116 PolarHBondContact OG-OE2 3.42Å; G113-E116 PolarHBondContact O-N 3.36Å; E116-N118 PolarHBondContact O-N 2.62Å; E116-N119 PolarHBondContact O-N 3.39Å; E116-L120 WeakPolarHBondContact O-CB 3.37Å; E116-L120 PolarHBondContact O-N 3.45Å; E116-R279 VanDerWaalsContact OE1-CG 3.26Å; E116-R279 WeakPolarHBondContact OE1-CG 3.48Å; E116-R279 IonicContact OE1-CZ 3.3Å; E116-R279 IonicContact OE1-NE 3.13Å; E116-R279 PolarHBondContact OE1-NE 2.73Å; E116-R279 IonicContact OE1-NH2 3.04Å; E116-R279 PolarHBondContact OE1-NH2 2.75Å; E116-R279 IonicContact OE2-CZ 3.38Å; E116-R279 IonicContact OE2-NE 3.92Å; E116-R279 IonicContact OE2-NH2 2.67Å; E116-R279 PolarHBondContact OE2-NH2 2.77Å; E116-R279 VanDerWaalsContact OE2-NH2 3.11Å
117	S	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.5	-47	177.7	-58.9	0	0	0	0	112.6	T111 G113 A114 N119 L120 A121 S240 A254	T111-S117 WeakPolarHBondContact CG2-OG 3.46Å; T111-S117 PolarHBondContact OG1-OG 2.76Å; G113-S117 PolarHBondContact O-N 2.67Å; G113-S117 PolarHBondContact O-OG 2.94Å; A114-S117 PolarHBondContact O-N 2.87Å; S117-N119 VanDerWaalsContact C-N 3.34Å; S117-N119 PolarHBondContact O-N 2.89Å; S117-L120 PolarHBondContact O-N 3.01Å; S117-A121 VanDerWaalsContact O-CB 3.3Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 3.21Å; S117-S240 VanDerWaalsContact C-OG 3.31Å; S117-S240 WeakPolarHBondContact CB-OG 3.24Å; S117-A254 WeakPolarHBondContact CB-O 3.14Å; S117-A254 VanDerWaalsContact OG-C 3.23Å; S117-A254 PolarHBondContact OG-O 3.48Å
118	N	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.1	-42.1	177	-76.1	-20	0	0	0	111.3	A114 E116 A121 V122 C145 V146 H217 D219 S240	A114-N118 WeakPolarHBondContact O-CB 3.24Å; A114-N118 VanDerWaalsContact O-CG 3.3Å; A114-N118 PolarHBondContact O-N 3.15Å; A114-N118 PolarHBondContact O-ND2 2.95Å; E116-N118 PolarHBondContact O-N 2.62Å; N118-A121 PolarHBondContact O-N 2.78Å; N118-V122 WeakPolarHBondContact O-CB 3.49Å; N118-V122 VanDerWaalsContact O-CG2 3.32Å; N118-V122 WeakPolarHBondContact O-CG2 3.48Å; N118-V122 PolarHBondContact O-N 2.75Å; N118-C145 PolarHBondContact ND2-SG 2.81Å; N118-V146 HydrophobicContact CB-CG2 3.91Å; N118-H217 PolarHBondContact OD1-CE1 2.75Å; N118-H217 PolarHBondContact OD1-NE2 2.85Å; N118-D219 PolarHBondContact ND2-OD2 2.87Å; N118-S240 PolarHBondContact N-OG 3.35Å; N118-S240 WeakPolarHBondContact OD1-CB 3.25Å; N118-S240 PolarHBondContact OD1-OG 2.71Å
119	N	98.8	Very high	98.6	Very high	39 Å²	39	23.6 Å²	23.6	21%	0.209	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-47.1	175.6	-87.6	-99.1	0	0	0	111.3	T115 E116 S117 K123 S149	T115-N119 PolarHBondContact O-N 3.28Å; T115-N119 VanDerWaalsContact O-N 3.15Å; T115-N119 PolarHBondContact O-ND2 3.22Å; E116-N119 PolarHBondContact O-N 3.39Å; S117-N119 VanDerWaalsContact C-N 3.34Å; S117-N119 PolarHBondContact O-N 2.89Å; N119-K123 WeakPolarHBondContact O-CB 3.45Å; N119-K123 WeakPolarHBondContact O-CG 3.27Å; N119-K123 PolarHBondContact O-N 3.19Å; N119-K123 VanDerWaalsContact OD1-CE 3.27Å; N119-K123 WeakPolarHBondContact OD1-CE 3.24Å; N119-K123 PolarHBondContact OD1-NZ 2.87Å; N119-S149 PolarHBondContact OD1-OG 2.88Å
120	L	98.8	Very high	98.5	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-64.9	-41	179.3	179.2	58.5	0	0	0	111.7	I109 E116 S117 G124 L255 Q268	I109-L120 HydrophobicContact CG2-CD2 4.5Å; E116-L120 WeakPolarHBondContact O-CB 3.37Å; E116-L120 PolarHBondContact O-N 3.45Å; S117-L120 PolarHBondContact O-N 3.01Å; L120-G124 WeakPolarHBondContact O-CA 3.4Å; L120-G124 PolarHBondContact O-N 3.29Å; L120-L255 HydrophobicContact CB-CD2 4.07Å; L120-L255 HydrophobicContact CD2-CD2 3.74Å; L120-L255 HydrophobicContact CG-CD2 3.72Å; L120-Q268 HydrophobicContact CD1-CB 4.48Å; L120-Q268 HydrophobicContact CD1-CG 4.06Å
121	A	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-58.3	177.6	0	0	0	0	0	111.3	S117 N118 V125 H217 L238 L255	S117-A121 VanDerWaalsContact O-CB 3.3Å; S117-A121 WeakPolarHBondContact O-CB 3.47Å; S117-A121 PolarHBondContact O-N 3.21Å; N118-A121 PolarHBondContact O-N 2.78Å; A121-V125 WeakPolarHBondContact O-CB 3.42Å; A121-V125 VanDerWaalsContact O-CG2 3.27Å; A121-V125 WeakPolarHBondContact O-CG2 3.37Å; A121-V125 PolarHBondContact O-N 2.81Å; A121-H217 VanDerWaalsContact CB-CD2 3.42Å; A121-H217 WeakPolarHBondContact CB-CD2 3.29Å; A121-L238 HydrophobicContact CB-CB 4.37Å; A121-L238 HydrophobicContact CB-CD2 3.78Å; A121-L255 HydrophobicContact CB-CD1 3.87Å; A121-L255 HydrophobicContact CB-CD2 4.27Å
122	V	98.8	Very high	98.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-53.2	-173.1	176.7	0	0	0	0	110.8	N118 A126 V146 L153 L186	N118-V122 WeakPolarHBondContact O-CB 3.49Å; N118-V122 VanDerWaalsContact O-CG2 3.32Å; N118-V122 WeakPolarHBondContact O-CG2 3.48Å; N118-V122 PolarHBondContact O-N 2.75Å; V122-A126 WeakPolarHBondContact O-CB 3.26Å; V122-A126 PolarHBondContact O-N 3.14Å; V122-A126 VanDerWaalsContact O-N 3.14Å; V122-V146 HydrophobicContact CG2-CG1 4.34Å; V122-L153 HydrophobicContact CG1-CD1 3.8Å; V122-L186 HydrophobicContact CB-CD2 4.29Å; V122-L186 HydrophobicContact CG1-CD2 4.35Å; V122-L186 HydrophobicContact CG2-CD2 4.17Å
123	K	98.8	Very high	98.1	Very high	33 Å²	33	41.7 Å²	41.7	14%	0.143	20%	0.202	C	C	.	.	H	α-helix	trans	-72.2	-38.2	-178.3	-56.5	175.9	176.9	171.8	0	111.6	N119 K127 S149 L153 Q268	N119-K123 WeakPolarHBondContact O-CB 3.45Å; N119-K123 WeakPolarHBondContact O-CG 3.27Å; N119-K123 PolarHBondContact O-N 3.19Å; N119-K123 VanDerWaalsContact OD1-CE 3.27Å; N119-K123 WeakPolarHBondContact OD1-CE 3.24Å; N119-K123 PolarHBondContact OD1-NZ 2.87Å; K123-K127 WeakPolarHBondContact O-CB 3.42Å; K123-K127 VanDerWaalsContact O-CG 3.27Å; K123-K127 WeakPolarHBondContact O-CG 3.25Å; K123-K127 PolarHBondContact O-N 3.29Å; K123-S149 WeakPolarHBondContact CE-OG 3.44Å; K123-L153 HydrophobicContact CG-CD1 4.32Å; K123-L153 HydrophobicContact CG-CG 4.42Å; K123-Q268 HydrophobicContact CB-CG 4.39Å
124	G	98.5	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-44	-178.4	0	0	0	0	0	112.9	L120 F128 L265 E266	L120-G124 WeakPolarHBondContact O-CA 3.4Å; L120-G124 PolarHBondContact O-N 3.29Å; G124-F128 VanDerWaalsContact O-CB 3.31Å; G124-F128 WeakPolarHBondContact O-CB 3.34Å; G124-F128 PolarHBondContact O-N 3.42Å; G124-L265 WeakPolarHBondContact O-CA 3.38Å; G124-E266 VanDerWaalsContact CA-O 3.3Å; G124-E266 WeakPolarHBondContact CA-O 3.11Å; G124-E266 PolarHBondContact O-N 2.8Å
125	V	98.6	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-52.9	172.8	172.9	0	0	0	0	109.4	A121 K127 F128 Y129 V185 L186 F215 L238 V263 L265	A121-V125 WeakPolarHBondContact O-CB 3.42Å; A121-V125 VanDerWaalsContact O-CG2 3.27Å; A121-V125 WeakPolarHBondContact O-CG2 3.37Å; A121-V125 PolarHBondContact O-N 2.81Å; V125-K127 PolarHBondContact O-N 3.4Å; V125-F128 PolarHBondContact O-N 2.68Å; V125-Y129 HydrophobicContact CG1-CD2 4.17Å; V125-Y129 HydrophobicContact CG1-CE2 4.46Å; V125-Y129 WeakPolarHBondContact O-CD2 3.5Å; V125-Y129 PolarHBondContact O-N 3.24Å; V125-V185 HydrophobicContact CG1-CG2 3.64Å; V125-L186 HydrophobicContact CB-CD2 4.44Å; V125-L186 HydrophobicContact CG1-CB 4.25Å; V125-L186 HydrophobicContact CG1-CD1 4.34Å; V125-L186 HydrophobicContact CG2-CD1 4.33Å; V125-F215 HydrophobicContact CG1-CD2 3.89Å; V125-L238 HydrophobicContact CG2-CD1 3.67Å; V125-L238 HydrophobicContact CG2-CD2 3.86Å; V125-L238 HydrophobicContact CG2-CG 4.44Å; V125-V263 HydrophobicContact CG2-CG1 4.45Å; V125-L265 HydrophobicContact CB-CD2 3.98Å; V125-L265 HydrophobicContact CG2-CD2 3.11Å
126	A	98.3	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55	-51.5	-173.9	0	0	0	0	0	112	V122 Y130 I136 L153 F158	V122-A126 WeakPolarHBondContact O-CB 3.26Å; V122-A126 PolarHBondContact O-N 3.14Å; V122-A126 VanDerWaalsContact O-N 3.14Å; A126-Y130 PolarHBondContact O-N 3.05Å; A126-I136 HydrophobicContact CB-CD1 3.75Å; A126-L153 HydrophobicContact CB-CD1 3.71Å; A126-L153 HydrophobicContact CB-CD2 4.07Å; A126-F158 HydrophobicContact CB-CD1 4.23Å; A126-F158 HydrophobicContact CB-CE1 3.63Å; A126-F158 HydrophobicContact CB-CZ 3.81Å; A126-F158 WeakPolarHBondContact O-CE1 3.42Å; A126-F158 WeakPolarHBondContact O-CZ 3.33Å
127	K	98	Very high	98	Very high	77 Å²	77	39.7 Å²	39.7	34%	0.335	18%	0.181	S	C	.	.	H	α-helix	trans	-66.8	-38.3	-178.7	-68.3	175.8	177.7	178.6	0	113.2	K123 V125 Y129 Y130 E266	K123-K127 WeakPolarHBondContact O-CB 3.42Å; K123-K127 VanDerWaalsContact O-CG 3.27Å; K123-K127 WeakPolarHBondContact O-CG 3.25Å; K123-K127 PolarHBondContact O-N 3.29Å; V125-K127 PolarHBondContact O-N 3.4Å; K127-Y129 VanDerWaalsContact C-N 3.29Å; K127-Y129 PolarHBondContact O-N 3.33Å; K127-Y130 PolarHBondContact O-N 3.19Å; K127-E266 HydrophobicContact CB-CB 4.22Å; K127-E266 WeakPolarHBondContact CB-OE2 3.43Å; K127-E266 WeakPolarHBondContact CD-OE1 3.27Å
128	F	98.1	Very high	98	Very high	85 Å²	85	39.7 Å²	39.7	37%	0.373	18%	0.181	S	C	.	.	H	α-helix	trans	-62.2	-35.9	-178.3	-171.6	-83.8	0	0	0	113	G124 V125 R264	G124-F128 VanDerWaalsContact O-CB 3.31Å; G124-F128 WeakPolarHBondContact O-CB 3.34Å; G124-F128 PolarHBondContact O-N 3.42Å; V125-F128 PolarHBondContact O-N 2.68Å; F128-R264 HydrophobicContact CD1-CB 3.62Å; F128-R264 HydrophobicContact CD2-CB 4.04Å; F128-R264 HydrophobicContact CE1-CB 3.44Å; F128-R264 VanDerWaalsContact CE1-CB 3.44Å; F128-R264 HydrophobicContact CE1-CG 4.09Å; F128-R264 HydrophobicContact CE2-CB 3.85Å; F128-R264 HydrophobicContact CG-CB 3.95Å; F128-R264 HydrophobicContact CZ-CB 3.58Å; F128-R264 HydrophobicContact CZ-CG 4.06Å
129	Y	97.6	Very high	98	Very high	55 Å²	55	39.7 Å²	39.7	22%	0.216	18%	0.181	C	C	.	.	H	α-helix	trans	-98.6	-1.4	-177.3	-67	-88.3	0	0	0	113.6	V125 K127 K132 K133 V185 F215 R264	V125-Y129 HydrophobicContact CG1-CD2 4.17Å; V125-Y129 HydrophobicContact CG1-CE2 4.46Å; V125-Y129 WeakPolarHBondContact O-CD2 3.5Å; V125-Y129 PolarHBondContact O-N 3.24Å; K127-Y129 VanDerWaalsContact C-N 3.29Å; K127-Y129 PolarHBondContact O-N 3.33Å; Y129-K132 WeakPolarHBondContact O-CB 3.49Å; Y129-K132 PolarHBondContact O-N 2.97Å; Y129-K133 PolarHBondContact O-N 3.45Å; Y129-K133 VanDerWaalsContact O-N 3.1Å; Y129-V185 HydrophobicContact CD2-CG2 4.05Å; Y129-V185 HydrophobicContact CG-CG2 4.05Å; Y129-F215 HydrophobicContact CD1-CE2 4.49Å; Y129-F215 HydrophobicContact CD2-CE2 4.02Å; Y129-F215 AromaticContact CE1-CE2 3.92Å; Y129-F215 HydrophobicContact CE1-CE2 3.92Å; Y129-F215 HydrophobicContact CE1-CZ 4.25Å; Y129-F215 HydrophobicContact CE2-CD2 4.21Å; Y129-F215 AromaticContact CE2-CE2 3.42Å; Y129-F215 HydrophobicContact CE2-CE2 3.42Å; Y129-F215 VanDerWaalsContact CE2-CE2 3.42Å; Y129-F215 HydrophobicContact CE2-CZ 4.07Å; Y129-F215 AromaticContact CZ-CE2 3.36Å; Y129-F215 AromaticContact CZ-CZ 3.63Å; Y129-F215 VanDerWaalsContact OH-CZ 3.29Å; Y129-F215 WeakPolarHBondContact OH-CZ 3.45Å; Y129-R264 WeakPolarHBondContact CE2-O 3.34Å; Y129-R264 PolarHBondContact OH-N 3.12Å
130	Y	96.1	Very high	97.9	Very high	112 Å²	112	41.4 Å²	41.4	44%	0.439	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	145.4	172.7	-171.6	-94.6	0	0	0	111.1	A126 K127 K134 F158	A126-Y130 PolarHBondContact O-N 3.05Å; K127-Y130 PolarHBondContact O-N 3.19Å; Y130-K134 HydrophobicContact CD2-CB 4.33Å; Y130-K134 HydrophobicContact CE2-CB 4.33Å; Y130-F158 AromaticContact CD2-CE1 3.81Å; Y130-F158 HydrophobicContact CD2-CE1 3.81Å; Y130-F158 AromaticContact CD2-CE2 3.83Å; Y130-F158 HydrophobicContact CD2-CE2 3.83Å; Y130-F158 AromaticContact CD2-CZ 3.44Å; Y130-F158 HydrophobicContact CD2-CZ 3.44Å; Y130-F158 VanDerWaalsContact CD2-CZ 3.44Å; Y130-F158 HydrophobicContact CE2-CE2 4.35Å; Y130-F158 HydrophobicContact CE2-CZ 4.35Å; Y130-F158 HydrophobicContact CG-CE1 4.49Å; Y130-F158 HydrophobicContact CG-CE2 4.35Å; Y130-F158 AromaticContact CG-CZ 3.85Å; Y130-F158 HydrophobicContact CG-CZ 3.85Å
131	P	94.9	Very high	97.9	Very high	92 Å²	92	41.1 Å²	41.1	60%	0.597	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.5	3.9	-2.4	34.8	-35.9	0	0	0	114.5	K133	P131-K133 PolarHBondContact O-N 2.97Å
132	K	95.3	Very high	97.9	Very high	195 Å²	195	41.1 Å²	41.1	85%	0.848	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-38.8	-172.6	-65	-177.4	179.7	-179.4	0	113	Y129	Y129-K132 WeakPolarHBondContact O-CB 3.49Å; Y129-K132 PolarHBondContact O-N 2.97Å
133	K	97.2	Very high	97.8	Very high	49 Å²	49	43.3 Å²	43.3	21%	0.213	20%	0.196	C	C	.	.			trans	-124.4	125.1	173.5	-64.6	-165.6	159.9	-154.2	0	108.6	Y129 P131 E183 T184 V185 G213	Y129-K133 PolarHBondContact O-N 3.45Å; Y129-K133 VanDerWaalsContact O-N 3.1Å; P131-K133 PolarHBondContact O-N 2.97Å; K133-E183 CarbonylContact C-O 3.54Å; K133-E183 WeakPolarHBondContact CA-O 3.49Å; K133-E183 WeakPolarHBondContact CB-O 3.19Å; K133-T184 WeakPolarHBondContact CD-O 3.45Å; K133-T184 PolarHBondContact NZ-O 3.17Å; K133-V185 HydrophobicContact CB-CB 3.62Å; K133-V185 HydrophobicContact CB-CG2 3.94Å; K133-V185 HydrophobicContact CD-CB 4.15Å; K133-V185 HydrophobicContact CD-CG2 4.18Å; K133-G213 PolarHBondContact NZ-O 2.82Å; K133-G213 VanDerWaalsContact NZ-O 3.09Å
134	K	97.1	Very high	97.6	Very high	90 Å²	90	44.9 Å²	44.9	39%	0.391	20%	0.203	S	C	.	.			trans	-134	9.3	-170	65.6	170.1	-174.1	162.6	0	114	Y130 F158 D159 E183	Y130-K134 HydrophobicContact CD2-CB 4.33Å; Y130-K134 HydrophobicContact CE2-CB 4.33Å; K134-F158 HydrophobicContact CB-CD1 4.32Å; K134-F158 CarbonylContact O-C 3.55Å; K134-F158 WeakPolarHBondContact O-CA 3.33Å; K134-F158 WeakPolarHBondContact O-CD1 3.15Å; K134-D159 IonicContact NZ-OD2 2.69Å; K134-D159 PolarHBondContact O-N 3Å; K134-E183 HydrophobicContact CG-CG 4.49Å; K134-E183 PolarHBondContact N-O 3.36Å; K134-E183 VanDerWaalsContact N-O 3.1Å
135	H	98.7	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.4	178.5	178.5	-123.4	0	0	0	111.2	I137 D159 T161 S179 E183 T184 V185	H135-I137 VanDerWaalsContact CE1-CG1 3.46Å; H135-I137 WeakPolarHBondContact CE1-CG1 3.45Å; H135-D159 CarbonylContact C-O 3.39Å; H135-D159 VanDerWaalsContact CA-O 3.26Å; H135-D159 WeakPolarHBondContact CA-O 3.19Å; H135-D159 PolarHBondContact CD2-O 3.44Å; H135-T161 PolarHBondContact NE2-OG1 2.77Å; H135-S179 PolarHBondContact CE1-O 3.24Å; H135-E183 HydrophobicContact CB-CG 3.66Å; H135-E183 PolarHBondContact N-O 3.5Å; H135-E183 VanDerWaalsContact N-O 3.12Å; H135-T184 PolarHBondContact ND1-OG1 2.99Å; H135-T184 CarbonylContact O-C 3.53Å; H135-T184 VanDerWaalsContact O-CA 3.32Å; H135-T184 WeakPolarHBondContact O-CA 3.37Å; H135-V185 PolarHBondContact O-N 2.67Å
136	I	98.9	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.4	177.3	-59.4	168.3	0	0	0	108.3	A126 L153 F158 D159 V160 T161 V185 L186	A126-I136 HydrophobicContact CB-CD1 3.75Å; I136-L153 HydrophobicContact CD1-CB 4.47Å; I136-L153 HydrophobicContact CD1-CD1 3.48Å; I136-L153 VanDerWaalsContact CD1-CD1 3.48Å; I136-F158 HydrophobicContact CD1-CD1 4.22Å; I136-D159 PolarHBondContact N-O 3.36Å; I136-V160 HydrophobicContact CB-CG2 4.3Å; I136-V160 CarbonylContact O-C 3.55Å; I136-V160 WeakPolarHBondContact O-CA 3.47Å; I136-T161 PolarHBondContact O-N 2.92Å; I136-V185 HydrophobicContact CG1-CG1 3.83Å; I136-L186 WeakPolarHBondContact CA-O 3.37Å; I136-L186 HydrophobicContact CG2-CB 4.39Å
137	I	98.9	Very high	97.6	Very high	1 Å²	1	46 Å²	46	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133	174.2	-59	172.1	0	0	0	108	H135 T161 L163 L176 S179 I180 T184 L186 V187 S188	H135-I137 VanDerWaalsContact CE1-CG1 3.46Å; H135-I137 WeakPolarHBondContact CE1-CG1 3.45Å; I137-T161 WeakPolarHBondContact CA-O 3.42Å; I137-L163 HydrophobicContact CG2-CD1 3.47Å; I137-L163 VanDerWaalsContact CG2-CD1 3.47Å; I137-L163 HydrophobicContact CG2-CD2 4.25Å; I137-L163 HydrophobicContact CG2-CG 3.69Å; I137-L176 HydrophobicContact CG2-CD1 3.87Å; I137-S179 VanDerWaalsContact CD1-O 3.29Å; I137-S179 WeakPolarHBondContact CD1-O 3.47Å; I137-I180 HydrophobicContact CD1-CB 4.41Å; I137-I180 HydrophobicContact CD1-CG1 3.76Å; I137-T184 HydrophobicContact CD1-CG2 3.84Å; I137-T184 HydrophobicContact CG1-CG2 4.06Å; I137-L186 PolarHBondContact N-O 3.48Å; I137-V187 HydrophobicContact CB-CG2 4.05Å; I137-V187 HydrophobicContact CD1-CG2 4.25Å; I137-V187 CarbonylContact O-C 3.43Å; I137-V187 VanDerWaalsContact O-CA 3.31Å; I137-V187 WeakPolarHBondContact O-CA 3.41Å; I137-S188 PolarHBondContact O-N 2.96Å
138	T	98.9	Very high	97.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	174.4	176.1	-161.3	0	0	0	0	110	E142 V146 L147 V160 T161 Y162 L163 S188	T138-E142 WeakPolarHBondContact OG1-CG 3.47Å; T138-V146 WeakPolarHBondContact OG1-CG1 3.31Å; T138-L147 HydrophobicContact CG2-CD2 4.46Å; T138-V160 HydrophobicContact CG2-CG1 4.15Å; T138-T161 PolarHBondContact N-O 3.29Å; T138-T161 VanDerWaalsContact O-O 3.11Å; T138-Y162 HydrophobicContact CG2-CD1 3.34Å; T138-Y162 HydrophobicContact CG2-CE1 3.6Å; T138-Y162 HydrophobicContact CG2-CG 4.15Å; T138-Y162 CarbonylContact O-C 3.46Å; T138-Y162 WeakPolarHBondContact O-CA 3.02Å; T138-L163 PolarHBondContact O-N 3.27Å; T138-S188 WeakPolarHBondContact CA-O 3.21Å; T138-S188 PolarHBondContact OG1-O 3.46Å
139	T	98.7	Very high	97.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	160.1	176.5	78.8	0	0	0	0	112.2	I141 E142 L147 L171 V189	T139-I141 PolarHBondContact O-N 3.43Å; T139-I141 VanDerWaalsContact OG1-CG1 3.24Å; T139-I141 WeakPolarHBondContact OG1-CG1 3.45Å; T139-I141 PolarHBondContact OG1-N 3.31Å; T139-E142 WeakPolarHBondContact O-CG 3.18Å; T139-E142 WeakPolarHBondContact OG1-CG 3.46Å; T139-E142 PolarHBondContact OG1-N 3.02Å; T139-E142 PolarHBondContact OG1-OE1 3.44Å; T139-L147 WeakPolarHBondContact O-CD2 3.41Å; T139-L171 HydrophobicContact CG2-CD1 4.33Å; T139-L171 HydrophobicContact CG2-CD2 4.24Å; T139-V189 HydrophobicContact CG2-CB 4.38Å; T139-V189 HydrophobicContact CG2-CG1 3.98Å; T139-V189 HydrophobicContact CG2-CG2 3.94Å
140	Q	97.9	Very high	97.6	Very high	74 Å²	74	39 Å²	39	35%	0.346	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.1	173	-69.5	173.8	8.7	0	0	113.5	Y162 L163 Y377 A381	Q140-Y162 PolarHBondContact NE2-O 2.83Å; Q140-L163 WeakPolarHBondContact CG-O 3.49Å; Q140-L163 PolarHBondContact N-O 3.46Å; Q140-Y377 WeakPolarHBondContact O-CD2 3.37Å; Q140-A381 HydrophobicContact CB-CB 3.94Å
141	I	97.4	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	9.8	-176.3	64.4	161.7	0	0	0	113.3	T139 V165 G169 N193 V378 A381	T139-I141 PolarHBondContact O-N 3.43Å; T139-I141 VanDerWaalsContact OG1-CG1 3.24Å; T139-I141 WeakPolarHBondContact OG1-CG1 3.45Å; T139-I141 PolarHBondContact OG1-N 3.31Å; I141-V165 HydrophobicContact CD1-CG1 3.88Å; I141-V165 HydrophobicContact CG1-CG1 3.95Å; I141-V165 HydrophobicContact CG2-CG1 4.33Å; I141-V165 HydrophobicContact CG2-CG2 3.66Å; I141-G169 WeakPolarHBondContact CD1-O 3.48Å; I141-N193 PolarHBondContact O-ND2 3.5Å; I141-V378 HydrophobicContact CB-CG1 4.22Å; I141-V378 HydrophobicContact CB-CG2 4.43Å; I141-V378 HydrophobicContact CG2-CG1 4.03Å; I141-A381 HydrophobicContact CG2-CB 3.73Å
142	E	98.2	Very high	97.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-63.8	157.3	175.3	-65.3	-60.9	110.7	0	0	111.7	T138 T139 V146 L147 V189 I190 Y377	T138-E142 WeakPolarHBondContact OG1-CG 3.47Å; T139-E142 WeakPolarHBondContact O-CG 3.18Å; T139-E142 WeakPolarHBondContact OG1-CG 3.46Å; T139-E142 PolarHBondContact OG1-N 3.02Å; T139-E142 PolarHBondContact OG1-OE1 3.44Å; E142-V146 HydrophobicContact CB-CB 3.93Å; E142-V146 HydrophobicContact CB-CG1 4.06Å; E142-V146 HydrophobicContact CG-CB 4.26Å; E142-V146 HydrophobicContact CG-CG1 3.86Å; E142-L147 HydrophobicContact CB-CD2 3.95Å; E142-L147 HydrophobicContact CB-CG 4.05Å; E142-L147 HydrophobicContact CG-CD2 4.45Å; E142-V189 WeakPolarHBondContact OE1-CA 2.96Å; E142-I190 VanDerWaalsContact CD-N 3.3Å; E142-I190 WeakPolarHBondContact OE1-CG2 3.43Å; E142-I190 PolarHBondContact OE1-N 2.99Å; E142-I190 PolarHBondContact OE2-N 2.9Å; E142-I190 VanDerWaalsContact OE2-N 3.11Å; E142-Y377 WeakPolarHBondContact O-CE2 3.34Å; E142-Y377 PolarHBondContact O-OH 3.37Å
143	H	97.1	Very high	98	Very high	45 Å²	45	29.6 Å²	29.6	21%	0.208	14%	0.138	C	C	.	.			trans	-61.3	145.5	168	-169.7	-94.4	0	0	0	111.1	C145 V146 L147 I190	H143-C145 PolarHBondContact ND1-N 3.3Å; H143-C145 PolarHBondContact ND1-SG 3.35Å; H143-C145 PolarHBondContact O-N 2.91Å; H143-V146 PolarHBondContact O-N 2.82Å; H143-L147 PolarHBondContact O-N 3.5Å; H143-I190 HydrophobicContact CB-CD1 4.41Å
144	K	95.8	Very high	98.1	Very high	66 Å²	66	30.7 Å²	30.7	29%	0.287	14%	0.144	S	C	.	.	H	α-helix	trans	-48.7	-36.8	-175.9	-70.3	-163.9	173.8	-146.2	0	114.7	V146 L147 D148 T369 Y377	K144-V146 PolarHBondContact O-N 3.16Å; K144-L147 PolarHBondContact O-N 2.96Å; K144-D148 VanDerWaalsContact O-CB 3.3Å; K144-D148 WeakPolarHBondContact O-CB 3.34Å; K144-D148 VanDerWaalsContact O-CG 3.32Å; K144-D148 PolarHBondContact O-N 2.8Å; K144-T369 HydrophobicContact CD-CG2 4.33Å; K144-Y377 HydrophobicContact CG-CE1 4.18Å
145	C	97	Very high	98.1	Very high	13 Å²	13	33.5 Å²	33.5	9%	0.088	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-23.6	-179.9	59.4	0	0	0	0	114.3	T115 N118 H143 S149	T115-C145 HydrophobicContact CG2-CB 3.83Å; N118-C145 PolarHBondContact ND2-SG 2.81Å; H143-C145 PolarHBondContact ND1-N 3.3Å; H143-C145 PolarHBondContact ND1-SG 3.35Å; H143-C145 PolarHBondContact O-N 2.91Å; C145-S149 VanDerWaalsContact O-CB 3.24Å; C145-S149 WeakPolarHBondContact O-CB 3.42Å; C145-S149 PolarHBondContact O-N 3.12Å; C145-S149 PolarHBondContact O-OG 3.42Å
146	V	98.7	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-78.5	-49	168.7	175.3	0	0	0	0	110	N118 V122 T138 E142 H143 K144 D148 S149 C150 S188	N118-V146 HydrophobicContact CB-CG2 3.91Å; V122-V146 HydrophobicContact CG2-CG1 4.34Å; T138-V146 WeakPolarHBondContact OG1-CG1 3.31Å; E142-V146 HydrophobicContact CB-CB 3.93Å; E142-V146 HydrophobicContact CB-CG1 4.06Å; E142-V146 HydrophobicContact CG-CB 4.26Å; E142-V146 HydrophobicContact CG-CG1 3.86Å; H143-V146 PolarHBondContact O-N 2.82Å; K144-V146 PolarHBondContact O-N 3.16Å; V146-D148 PolarHBondContact O-N 3.14Å; V146-S149 WeakPolarHBondContact O-CB 3.49Å; V146-S149 PolarHBondContact O-N 2.98Å; V146-C150 PolarHBondContact O-N 3.01Å; V146-C150 PolarHBondContact O-SG 3.3Å; V146-S188 WeakPolarHBondContact CG1-OG 3.07Å
147	L	98.3	Very high	97.8	Very high	11 Å²	11	38.7 Å²	38.7	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-48.5	179.9	-62.1	-180	0	0	0	112	T138 T139 E142 H143 K144 S149 C150 R151 Y162 Y377	T138-L147 HydrophobicContact CG2-CD2 4.46Å; T139-L147 WeakPolarHBondContact O-CD2 3.41Å; E142-L147 HydrophobicContact CB-CD2 3.95Å; E142-L147 HydrophobicContact CB-CG 4.05Å; E142-L147 HydrophobicContact CG-CD2 4.45Å; H143-L147 PolarHBondContact O-N 3.5Å; K144-L147 PolarHBondContact O-N 2.96Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 3.22Å; L147-C150 WeakPolarHBondContact O-CB 3.48Å; L147-C150 PolarHBondContact O-N 3.45Å; L147-R151 WeakPolarHBondContact O-CG 3.27Å; L147-R151 PolarHBondContact O-N 3.06Å; L147-Y162 HydrophobicContact CD2-CD1 3.85Å; L147-Y162 HydrophobicContact CD2-CE1 3.82Å; L147-Y377 HydrophobicContact CD1-CD2 4.04Å; L147-Y377 HydrophobicContact CD1-CE2 3.59Å
148	D	98	Very high	97.8	Very high	69 Å²	69	39.2 Å²	39.2	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-69.6	-31.3	178.9	-65.9	-26.3	0	0	0	111.7	K144 V146 C150 R151 V152	K144-D148 VanDerWaalsContact O-CB 3.3Å; K144-D148 WeakPolarHBondContact O-CB 3.34Å; K144-D148 VanDerWaalsContact O-CG 3.32Å; K144-D148 PolarHBondContact O-N 2.8Å; V146-D148 PolarHBondContact O-N 3.14Å; D148-C150 VanDerWaalsContact C-N 3.32Å; D148-R151 PolarHBondContact O-N 2.76Å; D148-R151 IonicContact OD1-CZ 2.67Å; D148-R151 IonicContact OD1-NH1 2.91Å; D148-R151 PolarHBondContact OD1-NH1 2.9Å; D148-V152 VanDerWaalsContact O-CG2 3.3Å; D148-V152 WeakPolarHBondContact O-CG2 3.48Å; D148-V152 PolarHBondContact O-N 3.34Å
149	S	98.5	Very high	97.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-40.6	170.9	-69.5	0	0	0	0	111.6	N119 K123 C145 V146 L147 L153	N119-S149 PolarHBondContact OD1-OG 2.88Å; K123-S149 WeakPolarHBondContact CE-OG 3.44Å; C145-S149 VanDerWaalsContact O-CB 3.24Å; C145-S149 WeakPolarHBondContact O-CB 3.42Å; C145-S149 PolarHBondContact O-N 3.12Å; C145-S149 PolarHBondContact O-OG 3.42Å; V146-S149 WeakPolarHBondContact O-CB 3.49Å; V146-S149 PolarHBondContact O-N 2.98Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 3.22Å; S149-L153 WeakPolarHBondContact O-CG 3.17Å; S149-L153 PolarHBondContact O-N 3.25Å
150	C	98.7	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-46.7	175.5	-66.1	0	0	0	0	111.6	V146 L147 D148 V152 L153 E154 V160 Y162	V146-C150 PolarHBondContact O-N 3.01Å; V146-C150 PolarHBondContact O-SG 3.3Å; L147-C150 WeakPolarHBondContact O-CB 3.48Å; L147-C150 PolarHBondContact O-N 3.45Å; D148-C150 VanDerWaalsContact C-N 3.32Å; C150-V152 VanDerWaalsContact C-N 3.29Å; C150-V152 PolarHBondContact O-N 3.37Å; C150-L153 CarbonylContact O-C 3.58Å; C150-L153 WeakPolarHBondContact O-CA 3.24Å; C150-L153 WeakPolarHBondContact O-CB 3.45Å; C150-L153 PolarHBondContact O-N 3.01Å; C150-E154 PolarHBondContact O-N 2.9Å; C150-V160 HydrophobicContact CB-CG1 3.89Å; C150-V160 HydrophobicContact CB-CG2 4.11Å; C150-Y162 HydrophobicContact CB-CE1 4.05Å; C150-Y162 VanDerWaalsContact CB-OH 3.23Å; C150-Y162 WeakPolarHBondContact CB-OH 3.35Å
151	R	98.3	Very high	97.8	Very high	128 Å²	128	42 Å²	42	48%	0.483	23%	0.228	S	C	.	.	H	α-helix	trans	-56	-40.6	175.5	-69.9	170.9	-177.4	162.2	-7.3	113.1	L147 D148 L153 E154 N155 Y162	L147-R151 WeakPolarHBondContact O-CG 3.27Å; L147-R151 PolarHBondContact O-N 3.06Å; D148-R151 PolarHBondContact O-N 2.76Å; D148-R151 IonicContact OD1-CZ 2.67Å; D148-R151 IonicContact OD1-NH1 2.91Å; D148-R151 PolarHBondContact OD1-NH1 2.9Å; R151-L153 VanDerWaalsContact C-N 3.31Å; R151-L153 PolarHBondContact O-N 2.7Å; R151-E154 WeakPolarHBondContact CA-OE2 3.31Å; R151-E154 PolarHBondContact O-N 3.21Å; R151-N155 PolarHBondContact O-N 3Å; R151-N155 PolarHBondContact O-ND2 2.87Å; R151-Y162 PolarHBondContact N-OH 2.81Å
152	V	98.2	Very high	97.8	Very high	71 Å²	71	44.6 Å²	44.6	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-64	-37.1	174.5	169	0	0	0	0	111.7	D148 C150 S156	D148-V152 VanDerWaalsContact O-CG2 3.3Å; D148-V152 WeakPolarHBondContact O-CG2 3.48Å; D148-V152 PolarHBondContact O-N 3.34Å; C150-V152 VanDerWaalsContact C-N 3.29Å; C150-V152 PolarHBondContact O-N 3.37Å; V152-S156 PolarHBondContact O-N 3.22Å; V152-S156 PolarHBondContact O-OG 3.08Å
153	L	98.3	Very high	97.9	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-73	-34.5	176.8	-68.5	168.2	0	0	0	112.2	V122 K123 A126 I136 S149 C150 R151 N155 S156 G157 F158	V122-L153 HydrophobicContact CG1-CD1 3.8Å; K123-L153 HydrophobicContact CG-CD1 4.32Å; K123-L153 HydrophobicContact CG-CG 4.42Å; A126-L153 HydrophobicContact CB-CD1 3.71Å; A126-L153 HydrophobicContact CB-CD2 4.07Å; I136-L153 HydrophobicContact CD1-CB 4.47Å; I136-L153 HydrophobicContact CD1-CD1 3.48Å; I136-L153 VanDerWaalsContact CD1-CD1 3.48Å; S149-L153 WeakPolarHBondContact O-CG 3.17Å; S149-L153 PolarHBondContact O-N 3.25Å; C150-L153 CarbonylContact O-C 3.58Å; C150-L153 WeakPolarHBondContact O-CA 3.24Å; C150-L153 WeakPolarHBondContact O-CB 3.45Å; C150-L153 PolarHBondContact O-N 3.01Å; R151-L153 VanDerWaalsContact C-N 3.31Å; R151-L153 PolarHBondContact O-N 2.7Å; L153-N155 VanDerWaalsContact C-N 3.33Å; L153-N155 PolarHBondContact O-N 3.21Å; L153-S156 CarbonylContact O-C 3.54Å; L153-S156 WeakPolarHBondContact O-CA 3.38Å; L153-S156 WeakPolarHBondContact O-CB 3.36Å; L153-S156 PolarHBondContact O-N 3.15Å; L153-G157 PolarHBondContact O-N 3.18Å; L153-F158 HydrophobicContact CB-CB 4.08Å; L153-F158 HydrophobicContact CB-CD2 3.93Å; L153-F158 HydrophobicContact CB-CG 4.11Å; L153-F158 HydrophobicContact CD2-CD2 3.95Å; L153-F158 HydrophobicContact CD2-CE2 3.84Å; L153-F158 HydrophobicContact CD2-CZ 4.43Å; L153-F158 WeakPolarHBondContact O-CB 3.39Å; L153-F158 WeakPolarHBondContact O-CD2 3.4Å; L153-F158 PolarHBondContact O-N 3.38Å; L153-F158 VanDerWaalsContact O-N 3.08Å
154	E	98.2	Very high	97.9	Very high	73 Å²	73	45.9 Å²	45.9	34%	0.341	25%	0.25	S	S	.	.	H	α-helix	trans	-56.9	-48.1	171.7	-69.4	176.1	104.2	0	0	110.9	C150 R151 S156 G157 F158 V160 Y162	C150-E154 PolarHBondContact O-N 2.9Å; R151-E154 WeakPolarHBondContact CA-OE2 3.31Å; R151-E154 PolarHBondContact O-N 3.21Å; E154-S156 PolarHBondContact O-N 2.89Å; E154-G157 PolarHBondContact O-N 3.15Å; E154-F158 WeakPolarHBondContact CA-O 3.22Å; E154-V160 HydrophobicContact CG-CB 3.8Å; E154-V160 HydrophobicContact CG-CG2 3.41Å; E154-V160 VanDerWaalsContact CG-CG2 3.41Å; E154-Y162 WeakPolarHBondContact OE2-CE2 3.26Å; E154-Y162 PolarHBondContact OE2-OH 3.47Å
155	N	97.1	Very high	98	Very high	149 Å²	149	43.6 Å²	43.6	80%	0.797	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.4	174	-67.5	-22.9	0	0	0	113.6	R151 L153	R151-N155 PolarHBondContact O-N 3Å; R151-N155 PolarHBondContact O-ND2 2.87Å; L153-N155 VanDerWaalsContact C-N 3.33Å; L153-N155 PolarHBondContact O-N 3.21Å
156	S	95.2	Very high	98.1	Very high	66 Å²	66	47.1 Å²	47.1	46%	0.462	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	9.4	177.9	-51.8	0	0	0	0	113.1	V152 L153 E154	V152-S156 PolarHBondContact O-N 3.22Å; V152-S156 PolarHBondContact O-OG 3.08Å; L153-S156 CarbonylContact O-C 3.54Å; L153-S156 WeakPolarHBondContact O-CA 3.38Å; L153-S156 WeakPolarHBondContact O-CB 3.36Å; L153-S156 PolarHBondContact O-N 3.15Å; E154-S156 PolarHBondContact O-N 2.89Å
157	G	96.1	Very high	98	Very high	43 Å²	43	55.6 Å²	55.6	44%	0.443	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	15.3	175.2	0	0	0	0	0	115.8	L153 E154	L153-G157 PolarHBondContact O-N 3.18Å; E154-G157 PolarHBondContact O-N 3.15Å
158	F	98.4	Very high	97.9	Very high	12 Å²	12	57.1 Å²	57.1	5%	0.053	30%	0.302	C	S	.	.			trans	-87	146.5	169.6	-70.6	-100.4	0	0	0	111.1	A126 Y130 K134 I136 L153 E154	A126-F158 HydrophobicContact CB-CD1 4.23Å; A126-F158 HydrophobicContact CB-CE1 3.63Å; A126-F158 HydrophobicContact CB-CZ 3.81Å; A126-F158 WeakPolarHBondContact O-CE1 3.42Å; A126-F158 WeakPolarHBondContact O-CZ 3.33Å; Y130-F158 AromaticContact CD2-CE1 3.81Å; Y130-F158 HydrophobicContact CD2-CE1 3.81Å; Y130-F158 AromaticContact CD2-CE2 3.83Å; Y130-F158 HydrophobicContact CD2-CE2 3.83Å; Y130-F158 AromaticContact CD2-CZ 3.44Å; Y130-F158 HydrophobicContact CD2-CZ 3.44Å; Y130-F158 VanDerWaalsContact CD2-CZ 3.44Å; Y130-F158 HydrophobicContact CE2-CE2 4.35Å; Y130-F158 HydrophobicContact CE2-CZ 4.35Å; Y130-F158 HydrophobicContact CG-CE1 4.49Å; Y130-F158 HydrophobicContact CG-CE2 4.35Å; Y130-F158 AromaticContact CG-CZ 3.85Å; Y130-F158 HydrophobicContact CG-CZ 3.85Å; K134-F158 HydrophobicContact CB-CD1 4.32Å; K134-F158 CarbonylContact O-C 3.55Å; K134-F158 WeakPolarHBondContact O-CA 3.33Å; K134-F158 WeakPolarHBondContact O-CD1 3.15Å; I136-F158 HydrophobicContact CD1-CD1 4.22Å; L153-F158 HydrophobicContact CB-CB 4.08Å; L153-F158 HydrophobicContact CB-CD2 3.93Å; L153-F158 HydrophobicContact CB-CG 4.11Å; L153-F158 HydrophobicContact CD2-CD2 3.95Å; L153-F158 HydrophobicContact CD2-CE2 3.84Å; L153-F158 HydrophobicContact CD2-CZ 4.43Å; L153-F158 WeakPolarHBondContact O-CB 3.39Å; L153-F158 WeakPolarHBondContact O-CD2 3.4Å; L153-F158 PolarHBondContact O-N 3.38Å; L153-F158 VanDerWaalsContact O-N 3.08Å; E154-F158 WeakPolarHBondContact CA-O 3.22Å
159	D	98.1	Very high	97.9	Very high	75 Å²	75	53.8 Å²	53.8	40%	0.401	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.8	168	-61.9	-48.5	0	0	0	108.6	K134 H135 I136	K134-D159 IonicContact NZ-OD2 2.69Å; K134-D159 PolarHBondContact O-N 3Å; H135-D159 CarbonylContact C-O 3.39Å; H135-D159 VanDerWaalsContact CA-O 3.26Å; H135-D159 WeakPolarHBondContact CA-O 3.19Å; H135-D159 PolarHBondContact CD2-O 3.44Å; I136-D159 PolarHBondContact N-O 3.36Å
160	V	98.7	Very high	97.9	Very high	21 Å²	21	54.6 Å²	54.6	13%	0.127	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128	176.1	-175.1	0	0	0	0	110.7	I136 T138 C150 E154 Y162	I136-V160 HydrophobicContact CB-CG2 4.3Å; I136-V160 CarbonylContact O-C 3.55Å; I136-V160 WeakPolarHBondContact O-CA 3.47Å; T138-V160 HydrophobicContact CG2-CG1 4.15Å; C150-V160 HydrophobicContact CB-CG1 3.89Å; C150-V160 HydrophobicContact CB-CG2 4.11Å; E154-V160 HydrophobicContact CG-CB 3.8Å; E154-V160 HydrophobicContact CG-CG2 3.41Å; E154-V160 VanDerWaalsContact CG-CG2 3.41Å; V160-Y162 HydrophobicContact CB-CE2 3.88Å; V160-Y162 HydrophobicContact CG1-CD1 4.47Å; V160-Y162 HydrophobicContact CG1-CD2 4.01Å; V160-Y162 HydrophobicContact CG1-CE1 4.08Å; V160-Y162 HydrophobicContact CG1-CE2 3.58Å; V160-Y162 HydrophobicContact CG1-CG 4.44Å
161	T	98.8	Very high	97.9	Very high	38 Å²	38	54.8 Å²	54.8	23%	0.233	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.5	170.4	-60.4	0	0	0	0	109.8	H135 I136 I137 T138 L163	H135-T161 PolarHBondContact NE2-OG1 2.77Å; I136-T161 PolarHBondContact O-N 2.92Å; I137-T161 WeakPolarHBondContact CA-O 3.42Å; T138-T161 PolarHBondContact N-O 3.29Å; T138-T161 VanDerWaalsContact O-O 3.11Å; T161-L163 HydrophobicContact CG2-CD2 3.55Å; T161-L163 HydrophobicContact CG2-CG 4.39Å
162	Y	98.7	Very high	97.9	Very high	53 Å²	53	51 Å²	51	21%	0.208	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	95.5	174	-60.9	-91.4	0	0	0	110.3	T138 Q140 L147 C150 R151 E154 V160	T138-Y162 HydrophobicContact CG2-CD1 3.34Å; T138-Y162 HydrophobicContact CG2-CE1 3.6Å; T138-Y162 HydrophobicContact CG2-CG 4.15Å; T138-Y162 CarbonylContact O-C 3.46Å; T138-Y162 WeakPolarHBondContact O-CA 3.02Å; Q140-Y162 PolarHBondContact NE2-O 2.83Å; L147-Y162 HydrophobicContact CD2-CD1 3.85Å; L147-Y162 HydrophobicContact CD2-CE1 3.82Å; C150-Y162 HydrophobicContact CB-CE1 4.05Å; C150-Y162 VanDerWaalsContact CB-OH 3.23Å; C150-Y162 WeakPolarHBondContact CB-OH 3.35Å; R151-Y162 PolarHBondContact N-OH 2.81Å; E154-Y162 WeakPolarHBondContact OE2-CE2 3.26Å; E154-Y162 PolarHBondContact OE2-OH 3.47Å; V160-Y162 HydrophobicContact CB-CE2 3.88Å; V160-Y162 HydrophobicContact CG1-CD1 4.47Å; V160-Y162 HydrophobicContact CG1-CD2 4.01Å; V160-Y162 HydrophobicContact CG1-CE1 4.08Å; V160-Y162 HydrophobicContact CG1-CE2 3.58Å; V160-Y162 HydrophobicContact CG1-CG 4.44Å
163	L	98.8	Very high	97.9	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	134.5	-176.1	-59.2	-177.8	0	0	0	111.5	I137 T138 Q140 T161 L171 V175 L176 S179	I137-L163 HydrophobicContact CG2-CD1 3.47Å; I137-L163 VanDerWaalsContact CG2-CD1 3.47Å; I137-L163 HydrophobicContact CG2-CD2 4.25Å; I137-L163 HydrophobicContact CG2-CG 3.69Å; T138-L163 PolarHBondContact O-N 3.27Å; Q140-L163 WeakPolarHBondContact CG-O 3.49Å; Q140-L163 PolarHBondContact N-O 3.46Å; T161-L163 HydrophobicContact CG2-CD2 3.55Å; T161-L163 HydrophobicContact CG2-CG 4.39Å; L163-L171 HydrophobicContact CB-CD1 3.85Å; L163-L171 HydrophobicContact CD1-CD1 3.85Å; L163-L171 HydrophobicContact CD1-CD2 4.46Å; L163-V175 HydrophobicContact CD2-CG1 4.14Å; L163-L176 HydrophobicContact CD1-CB 3.97Å; L163-L176 HydrophobicContact CD1-CD1 3.73Å; L163-L176 HydrophobicContact CD1-CG 4.45Å; L163-S179 VanDerWaalsContact CD2-OG 3.28Å; L163-S179 WeakPolarHBondContact CD2-OG 3.48Å
164	P	98.2	Very high	97.9	Very high	68 Å²	68	56.4 Å²	56.4	44%	0.442	30%	0.301	S	S	.	.			trans	-67	162.3	166.9	32.6	-35.2	0	0	0	109.9
165	V	98.2	Very high	97.9	Very high	18 Å²	18	54.7 Å²	54.7	11%	0.109	30%	0.295	C	S	.	.			trans	-114.3	163.5	170.4	-66.7	0	0	0	0	109.7	I141 I382	I141-V165 HydrophobicContact CD1-CG1 3.88Å; I141-V165 HydrophobicContact CG1-CG1 3.95Å; I141-V165 HydrophobicContact CG2-CG1 4.33Å; I141-V165 HydrophobicContact CG2-CG2 3.66Å; V165-I382 HydrophobicContact CG2-CG2 3.86Å
166	Q	98.1	Very high	98	Very high	88 Å²	88	47.6 Å²	47.6	41%	0.411	26%	0.257	S	S	.	.			trans	-67.3	167.9	171.7	-64.5	179.3	-18.7	0	0	110.6	N168 G169 I170 D172	Q166-N168 VanDerWaalsContact CB-OD1 3.26Å; Q166-N168 WeakPolarHBondContact CB-OD1 3.42Å; Q166-N168 PolarHBondContact O-N 2.93Å; Q166-N168 VanDerWaalsContact O-N 3.12Å; Q166-G169 WeakPolarHBondContact O-CA 3.3Å; Q166-G169 PolarHBondContact O-N 3.01Å; Q166-I170 WeakPolarHBondContact CB-O 3.31Å; Q166-I170 PolarHBondContact N-O 3.25Å; Q166-D172 HydrophobicContact CG-CB 4.48Å
167	K	97	Very high	98.2	Very high	178 Å²	178	48.6 Å²	48.6	77%	0.774	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.8	-179.4	-68.6	-169.9	175.4	-172.5	0	114.4	G169 I382	K167-G169 VanDerWaalsContact C-N 3.3Å; K167-I382 WeakPolarHBondContact CA-O 3.49Å
168	N	97.2	Very high	98.3	Very high	42 Å²	42	55.1 Å²	55.1	23%	0.225	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.7	173.3	64	-6.9	0	0	0	112.9	Q166 I170 V198 G331 D332	Q166-N168 VanDerWaalsContact CB-OD1 3.26Å; Q166-N168 WeakPolarHBondContact CB-OD1 3.42Å; Q166-N168 PolarHBondContact O-N 2.93Å; Q166-N168 VanDerWaalsContact O-N 3.12Å; N168-I170 WeakPolarHBondContact ND2-CD1 3.13Å; N168-I170 PolarHBondContact OD1-N 2.96Å; N168-V198 VanDerWaalsContact O-CG2 3.28Å; N168-V198 WeakPolarHBondContact O-CG2 3.39Å; N168-G331 CarbonylContact O-C 3.53Å; N168-G331 VanDerWaalsContact O-CA 3.3Å; N168-G331 WeakPolarHBondContact O-CA 3.2Å; N168-D332 HydrophobicContact CB-CB 3.98Å; N168-D332 PolarHBondContact ND2-OD2 3.45Å; N168-D332 PolarHBondContact O-N 2.88Å
169	G	98	Very high	98.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	84.5	-0.9	178.9	0	0	0	0	0	115.6	I141 Q166 K167 Q200	I141-G169 WeakPolarHBondContact CD1-O 3.48Å; Q166-G169 WeakPolarHBondContact O-CA 3.3Å; Q166-G169 PolarHBondContact O-N 3.01Å; K167-G169 VanDerWaalsContact C-N 3.3Å; G169-Q200 PolarHBondContact O-NE2 2.88Å
170	I	98.5	Very high	98.3	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.092	26%	0.259	C	S	.	.			trans	-82.5	139.7	179.4	-61.6	169.4	0	0	0	110.2	Q166 N168 V198 D332 Q335	Q166-I170 WeakPolarHBondContact CB-O 3.31Å; Q166-I170 PolarHBondContact N-O 3.25Å; N168-I170 WeakPolarHBondContact ND2-CD1 3.13Å; N168-I170 PolarHBondContact OD1-N 2.96Å; I170-V198 HydrophobicContact CG1-CG1 3.82Å; I170-D332 HydrophobicContact CD1-CB 4.03Å; I170-D332 HydrophobicContact CG1-CB 4.42Å; I170-Q335 HydrophobicContact CD1-CB 4.05Å
171	L	98.4	Very high	98.3	Very high	3 Å²	3	57 Å²	57	2%	0.016	27%	0.272	C	S	.	.			trans	-71.4	131.3	174.2	179.9	63.2	0	0	0	111.1	T139 L163 L173 L176 V189 Q200 I205	T139-L171 HydrophobicContact CG2-CD1 4.33Å; T139-L171 HydrophobicContact CG2-CD2 4.24Å; L163-L171 HydrophobicContact CB-CD1 3.85Å; L163-L171 HydrophobicContact CD1-CD1 3.85Å; L163-L171 HydrophobicContact CD1-CD2 4.46Å; L171-L173 PolarHBondContact O-N 3.2Å; L171-L176 HydrophobicContact CD2-CB 4.28Å; L171-L176 HydrophobicContact CD2-CD2 4Å; L171-V189 HydrophobicContact CD2-CG1 4.44Å; L171-V189 HydrophobicContact CD2-CG2 3.95Å; L171-Q200 VanDerWaalsContact CB-OE1 3.32Å; L171-I205 HydrophobicContact CD2-CD1 4.23Å
172	D	98.3	Very high	98.1	Very high	48 Å²	48	63 Å²	63	26%	0.257	30%	0.302	S	S	.	.			trans	-74.9	115.1	170	-175.4	-30.5	0	0	0	110.4	Q166 E174 V175 L176	Q166-D172 HydrophobicContact CG-CB 4.48Å; D172-E174 VanDerWaalsContact C-N 3.32Å; D172-E174 PolarHBondContact O-N 3.36Å; D172-E174 WeakPolarHBondContact OD1-CB 3.43Å; D172-E174 PolarHBondContact OD1-N 2.93Å; D172-V175 HydrophobicContact CB-CB 4.03Å; D172-V175 HydrophobicContact CB-CG2 3.85Å; D172-V175 PolarHBondContact O-N 3.47Å; D172-V175 PolarHBondContact OD1-N 3.17Å; D172-L176 PolarHBondContact O-N 2.93Å
173	L	98.3	Very high	98.1	Very high	57 Å²	57	63.3 Å²	63.3	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-67.8	-28.1	-177.8	-65.5	-180	0	0	0	113.5	L171 L176 E177 P201 E204 I205	L171-L173 PolarHBondContact O-N 3.2Å; L173-L176 HydrophobicContact CD2-CD2 4.34Å; L173-L176 PolarHBondContact O-N 3.17Å; L173-E177 WeakPolarHBondContact O-CB 3.4Å; L173-E177 PolarHBondContact O-N 2.98Å; L173-P201 HydrophobicContact CD1-CG 4.47Å; L173-P201 HydrophobicContact CD2-CG 4.11Å; L173-P201 HydrophobicContact CG-CG 4.42Å; L173-E204 HydrophobicContact CD1-CB 3.64Å; L173-E204 HydrophobicContact CD1-CG 4.28Å; L173-I205 HydrophobicContact CD2-CG1 3.61Å
174	E	98.3	Very high	98.1	Very high	131 Å²	131	63.1 Å²	63.1	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-72.8	-35.7	175.9	-61	-174.9	177.2	0	0	111	D172 R178	D172-E174 VanDerWaalsContact C-N 3.32Å; D172-E174 PolarHBondContact O-N 3.36Å; D172-E174 WeakPolarHBondContact OD1-CB 3.43Å; D172-E174 PolarHBondContact OD1-N 2.93Å; E174-R178 WeakPolarHBondContact O-CB 3.3Å; E174-R178 WeakPolarHBondContact O-CG 3.48Å; E174-R178 PolarHBondContact O-N 2.62Å; E174-R178 VanDerWaalsContact O-N 3.07Å; E174-R178 PolarHBondContact O-NE 2.92Å
175	V	98.4	Very high	98.1	Very high	36 Å²	36	59.9 Å²	59.9	22%	0.218	28%	0.284	C	S	.	.	H	α-helix	trans	-66	-43.1	172.5	177.1	0	0	0	0	109.9	L163 D172 S179	L163-V175 HydrophobicContact CD2-CG1 4.14Å; D172-V175 HydrophobicContact CB-CB 4.03Å; D172-V175 HydrophobicContact CB-CG2 3.85Å; D172-V175 PolarHBondContact O-N 3.47Å; D172-V175 PolarHBondContact OD1-N 3.17Å; V175-S179 WeakPolarHBondContact O-CB 3.27Å; V175-S179 PolarHBondContact O-N 3.29Å; V175-S179 VanDerWaalsContact O-N 3.1Å; V175-S179 PolarHBondContact O-OG 2.86Å
176	L	98.7	Very high	98.1	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-50.4	173.6	173.1	60.1	0	0	0	111.6	I137 L163 L171 D172 L173 R178 S179 I180 V187 I205 L208	I137-L176 HydrophobicContact CG2-CD1 3.87Å; L163-L176 HydrophobicContact CD1-CB 3.97Å; L163-L176 HydrophobicContact CD1-CD1 3.73Å; L163-L176 HydrophobicContact CD1-CG 4.45Å; L171-L176 HydrophobicContact CD2-CB 4.28Å; L171-L176 HydrophobicContact CD2-CD2 4Å; D172-L176 PolarHBondContact O-N 2.93Å; L173-L176 HydrophobicContact CD2-CD2 4.34Å; L173-L176 PolarHBondContact O-N 3.17Å; L176-R178 PolarHBondContact O-N 3.08Å; L176-S179 PolarHBondContact O-N 3.46Å; L176-I180 PolarHBondContact O-N 2.92Å; L176-V187 HydrophobicContact CD1-CG1 4Å; L176-V187 HydrophobicContact CD1-CG2 4.08Å; L176-I205 HydrophobicContact CD2-CB 4.46Å; L176-I205 HydrophobicContact CD2-CG1 4.07Å; L176-I205 HydrophobicContact CD2-CG2 3.97Å; L176-L208 HydrophobicContact CB-CD2 4.39Å; L176-L208 HydrophobicContact CD2-CD2 3.83Å; L176-L208 HydrophobicContact CG-CD2 3.83Å
177	E	98.6	Very high	98.1	Very high	87 Å²	87	54.9 Å²	54.9	41%	0.407	26%	0.259	S	S	.	.	H	α-helix	trans	-58.7	-47	-178	177.7	165.7	-155.9	0	0	112.1	L173 S179 I180 L208 K212	L173-E177 WeakPolarHBondContact O-CB 3.4Å; L173-E177 PolarHBondContact O-N 2.98Å; E177-S179 PolarHBondContact O-N 3.38Å; E177-I180 PolarHBondContact O-N 2.91Å; E177-L208 HydrophobicContact CB-CD1 4.04Å; E177-L208 HydrophobicContact CB-CD2 3.91Å; E177-L208 HydrophobicContact CG-CD1 3.97Å; E177-K212 VanDerWaalsContact OE1-CE 3.24Å; E177-K212 WeakPolarHBondContact OE1-CE 3.49Å; E177-K212 IonicContact OE1-NZ 2.76Å; E177-K212 PolarHBondContact OE1-NZ 2.77Å
178	R	98.3	Very high	98.2	Very high	181 Å²	181	46.4 Å²	46.4	68%	0.683	22%	0.222	S	C	*	.	H	α-helix	trans	-66.6	-23	177.7	-71.2	-178.3	-68.2	-177.2	-3.5	113.4	E174 L176	E174-R178 WeakPolarHBondContact O-CB 3.3Å; E174-R178 WeakPolarHBondContact O-CG 3.48Å; E174-R178 PolarHBondContact O-N 2.62Å; E174-R178 VanDerWaalsContact O-N 3.07Å; E174-R178 PolarHBondContact O-NE 2.92Å; L176-R178 PolarHBondContact O-N 3.08Å
179	S	98.5	Very high	98.3	Very high	23 Å²	23	44.4 Å²	44.4	16%	0.161	21%	0.212	C	C	.	.	H	α-helix	trans	-82.2	-16	178.4	-57.4	0	0	0	0	113	H135 I137 L163 V175 L176 E177 K181	H135-S179 PolarHBondContact CE1-O 3.24Å; I137-S179 VanDerWaalsContact CD1-O 3.29Å; I137-S179 WeakPolarHBondContact CD1-O 3.47Å; L163-S179 VanDerWaalsContact CD2-OG 3.28Å; L163-S179 WeakPolarHBondContact CD2-OG 3.48Å; V175-S179 WeakPolarHBondContact O-CB 3.27Å; V175-S179 PolarHBondContact O-N 3.29Å; V175-S179 VanDerWaalsContact O-N 3.1Å; V175-S179 PolarHBondContact O-OG 2.86Å; L176-S179 PolarHBondContact O-N 3.46Å; E177-S179 PolarHBondContact O-N 3.38Å; S179-K181 PolarHBondContact O-N 3.47Å
180	I	98.6	Very high	98.4	Very high	27 Å²	27	44.5 Å²	44.5	14%	0.138	21%	0.212	C	C	.	.			trans	-72.7	123.1	177.2	-67.4	168.5	0	0	0	110	I137 L176 E177 L208 K212 V214	I137-I180 HydrophobicContact CD1-CB 4.41Å; I137-I180 HydrophobicContact CD1-CG1 3.76Å; L176-I180 PolarHBondContact O-N 2.92Å; E177-I180 PolarHBondContact O-N 2.91Å; I180-L208 HydrophobicContact CD1-CD2 4.36Å; I180-L208 HydrophobicContact CD1-CG 4.13Å; I180-K212 HydrophobicContact CD1-CB 4.4Å; I180-K212 HydrophobicContact CD1-CG 4.08Å; I180-K212 HydrophobicContact CG2-CB 3.93Å; I180-K212 HydrophobicContact CG2-CG 4.19Å; I180-V214 HydrophobicContact CG2-CG2 3.78Å
181	K	97.5	Very high	98.4	Very high	96 Å²	96	43.8 Å²	43.8	42%	0.417	21%	0.209	S	C	.	.			trans	-113.6	170.1	178.4	-52.3	176.3	-170.3	167.9	0	110.2	S179 E183 T184	S179-K181 PolarHBondContact O-N 3.47Å; K181-E183 VanDerWaalsContact C-N 3.26Å; K181-E183 HydrophobicContact CB-CG 4.46Å; K181-E183 WeakPolarHBondContact CB-OE1 3.38Å; K181-E183 WeakPolarHBondContact CB-OE2 3.3Å; K181-E183 WeakPolarHBondContact CD-OE1 3.19Å; K181-E183 PolarHBondContact O-N 3.47Å; K181-T184 PolarHBondContact N-OG1 2.9Å; K181-T184 WeakPolarHBondContact O-CB 3.42Å; K181-T184 PolarHBondContact O-N 2.91Å; K181-T184 VanDerWaalsContact O-N 3.12Å; K181-T184 PolarHBondContact O-OG1 3.42Å
182	L	96.4	Very high	98.4	Very high	164 Å²	164	43.7 Å²	43.7	86%	0.859	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-37.6	179.3	-176.2	63.9	0	0	0	112	T184	L182-T184 VanDerWaalsContact C-N 3.3Å; L182-T184 PolarHBondContact O-N 3.05Å
183	E	97.3	Very high	98.4	Very high	61 Å²	61	41.4 Å²	41.4	29%	0.285	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0.9	179.1	68.7	-81.7	-171.9	0	0	114	K133 K134 H135 K181 V185	K133-E183 CarbonylContact C-O 3.54Å; K133-E183 WeakPolarHBondContact CA-O 3.49Å; K133-E183 WeakPolarHBondContact CB-O 3.19Å; K134-E183 HydrophobicContact CG-CG 4.49Å; K134-E183 PolarHBondContact N-O 3.36Å; K134-E183 VanDerWaalsContact N-O 3.1Å; H135-E183 HydrophobicContact CB-CG 3.66Å; H135-E183 PolarHBondContact N-O 3.5Å; H135-E183 VanDerWaalsContact N-O 3.12Å; K181-E183 VanDerWaalsContact C-N 3.26Å; K181-E183 HydrophobicContact CB-CG 4.46Å; K181-E183 WeakPolarHBondContact CB-OE1 3.38Å; K181-E183 WeakPolarHBondContact CB-OE2 3.3Å; K181-E183 WeakPolarHBondContact CD-OE1 3.19Å; K181-E183 PolarHBondContact O-N 3.47Å; E183-V185 PolarHBondContact O-N 3.21Å
184	T	98.6	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.5	176.9	-57.1	0	0	0	0	110.4	K133 H135 I137 K181 L182 V214	K133-T184 WeakPolarHBondContact CD-O 3.45Å; K133-T184 PolarHBondContact NZ-O 3.17Å; H135-T184 PolarHBondContact ND1-OG1 2.99Å; H135-T184 CarbonylContact O-C 3.53Å; H135-T184 VanDerWaalsContact O-CA 3.32Å; H135-T184 WeakPolarHBondContact O-CA 3.37Å; I137-T184 HydrophobicContact CD1-CG2 3.84Å; I137-T184 HydrophobicContact CG1-CG2 4.06Å; K181-T184 PolarHBondContact N-OG1 2.9Å; K181-T184 WeakPolarHBondContact O-CB 3.42Å; K181-T184 PolarHBondContact O-N 2.91Å; K181-T184 VanDerWaalsContact O-N 3.12Å; K181-T184 PolarHBondContact O-OG1 3.42Å; L182-T184 VanDerWaalsContact C-N 3.3Å; L182-T184 PolarHBondContact O-N 3.05Å; T184-V214 HydrophobicContact CG2-CG1 3.61Å; T184-V214 HydrophobicContact CG2-CG2 4.13Å
185	V	98.5	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-43	177	72.7	0	0	0	0	112.3	V125 Y129 K133 H135 I136 E183 F215	V125-V185 HydrophobicContact CG1-CG2 3.64Å; Y129-V185 HydrophobicContact CD2-CG2 4.05Å; Y129-V185 HydrophobicContact CG-CG2 4.05Å; K133-V185 HydrophobicContact CB-CB 3.62Å; K133-V185 HydrophobicContact CB-CG2 3.94Å; K133-V185 HydrophobicContact CD-CB 4.15Å; K133-V185 HydrophobicContact CD-CG2 4.18Å; H135-V185 PolarHBondContact O-N 2.67Å; I136-V185 HydrophobicContact CG1-CG1 3.83Å; E183-V185 PolarHBondContact O-N 3.21Å; V185-F215 HydrophobicContact CG2-CD2 4.49Å; V185-F215 WeakPolarHBondContact O-CD2 3.4Å; V185-F215 PolarHBondContact O-N 2.93Å; V185-F215 VanDerWaalsContact O-N 3.12Å
186	L	98.8	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	136.5	-167.3	-176	68.3	0	0	0	110.5	V122 V125 I136 I137 F215 H217 L238	V122-L186 HydrophobicContact CB-CD2 4.29Å; V122-L186 HydrophobicContact CG1-CD2 4.35Å; V122-L186 HydrophobicContact CG2-CD2 4.17Å; V125-L186 HydrophobicContact CB-CD2 4.44Å; V125-L186 HydrophobicContact CG1-CB 4.25Å; V125-L186 HydrophobicContact CG1-CD1 4.34Å; V125-L186 HydrophobicContact CG2-CD1 4.33Å; I136-L186 WeakPolarHBondContact CA-O 3.37Å; I136-L186 HydrophobicContact CG2-CB 4.39Å; I137-L186 PolarHBondContact N-O 3.48Å; L186-F215 WeakPolarHBondContact CA-O 3.2Å; L186-F215 HydrophobicContact CD1-CB 3.98Å; L186-H217 HydrophobicContact CD1-CB 3.78Å; L186-H217 HydrophobicContact CG-CB 4.45Å; L186-L238 HydrophobicContact CD1-CD1 4.28Å
187	V	98.9	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127	159.5	170.7	0	0	0	0	107.2	I137 L176 V189 I205 V214 F215 F216 H217	I137-V187 HydrophobicContact CB-CG2 4.05Å; I137-V187 HydrophobicContact CD1-CG2 4.25Å; I137-V187 CarbonylContact O-C 3.43Å; I137-V187 VanDerWaalsContact O-CA 3.31Å; I137-V187 WeakPolarHBondContact O-CA 3.41Å; L176-V187 HydrophobicContact CD1-CG1 4Å; L176-V187 HydrophobicContact CD1-CG2 4.08Å; V187-V189 HydrophobicContact CG1-CG2 3.85Å; V187-I205 HydrophobicContact CG1-CG2 4.24Å; V187-V214 HydrophobicContact CG2-CG1 3.9Å; V187-F215 PolarHBondContact N-O 3.24Å; V187-F216 HydrophobicContact CG1-CD2 4.31Å; V187-H217 PolarHBondContact O-N 3.31Å
188	S	98.9	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.8	174.5	-175.9	0	0	0	0	110.1	I137 T138 V146 H217	I137-S188 PolarHBondContact O-N 2.96Å; T138-S188 WeakPolarHBondContact CA-O 3.21Å; T138-S188 PolarHBondContact OG1-O 3.46Å; V146-S188 WeakPolarHBondContact CG1-OG 3.07Å; S188-H217 WeakPolarHBondContact CA-O 3.5Å; S188-H217 PolarHBondContact OG-ND1 2.88Å
189	V	98.9	Very high	98.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	11%	0.105	C	C	.	.			trans	-135.7	122.5	176.9	-177.1	0	0	0	0	110.1	T139 E142 L171 V187 Q200 I205 F216 H217 T218	T139-V189 HydrophobicContact CG2-CB 4.38Å; T139-V189 HydrophobicContact CG2-CG1 3.98Å; T139-V189 HydrophobicContact CG2-CG2 3.94Å; E142-V189 WeakPolarHBondContact OE1-CA 2.96Å; L171-V189 HydrophobicContact CD2-CG1 4.44Å; L171-V189 HydrophobicContact CD2-CG2 3.95Å; V187-V189 HydrophobicContact CG1-CG2 3.85Å; V189-Q200 HydrophobicContact CG1-CB 3.9Å; V189-Q200 HydrophobicContact CG1-CG 3.68Å; V189-I205 HydrophobicContact CB-CD1 4.17Å; V189-I205 HydrophobicContact CG1-CD1 3.85Å; V189-I205 HydrophobicContact CG2-CD1 4.25Å; V189-I205 HydrophobicContact CG2-CG2 4.44Å; V189-F216 HydrophobicContact CB-CE2 4.16Å; V189-H217 PolarHBondContact N-O 3.46Å; V189-T218 VanDerWaalsContact O-CA 3.24Å; V189-T218 WeakPolarHBondContact O-CA 3.26Å; V189-T218 VanDerWaalsContact O-CB 3.27Å; V189-T218 WeakPolarHBondContact O-CB 3.45Å; V189-T218 PolarHBondContact O-OG1 2.84Å
190	I	98.8	Very high	98.2	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.099	C	C	.	.			trans	-59.6	134.4	176	-169.5	163.6	0	0	0	110.7	E142 H143 V192 Q200 D219	E142-I190 VanDerWaalsContact CD-N 3.3Å; E142-I190 WeakPolarHBondContact OE1-CG2 3.43Å; E142-I190 PolarHBondContact OE1-N 2.99Å; E142-I190 PolarHBondContact OE2-N 2.9Å; E142-I190 VanDerWaalsContact OE2-N 3.11Å; H143-I190 HydrophobicContact CB-CD1 4.41Å; I190-V192 WeakPolarHBondContact CG1-O 3.3Å; I190-Q200 WeakPolarHBondContact O-CB 3.41Å; I190-Q200 WeakPolarHBondContact O-CG 3.46Å; I190-D219 HydrophobicContact CB-CB 4.34Å; I190-D219 HydrophobicContact CG1-CB 4.04Å; I190-D219 WeakPolarHBondContact CG1-O 3.34Å
191	A	98.8	Very high	98.1	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.017	10%	0.096	C	C	.	.	S	Bend	trans	-70.3	-54.7	-178.7	0	0	0	0	0	111.8	L199 Q200 I202 T218 D219 A220 A223	A191-L199 WeakPolarHBondContact O-CA 3.36Å; A191-L199 WeakPolarHBondContact O-CD1 3.4Å; A191-Q200 PolarHBondContact O-N 3.28Å; A191-I202 HydrophobicContact CB-CD1 4.29Å; A191-I202 HydrophobicContact CB-CG1 4.11Å; A191-T218 PolarHBondContact N-OG1 3.21Å; A191-D219 PolarHBondContact N-O 3.33Å; A191-A220 HydrophobicContact CB-CB 4.4Å; A191-A223 HydrophobicContact CB-CB 3.51Å
192	V	98.7	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-124.4	121	175.5	171.4	0	0	0	0	108	I190 N194 V198 L199 Q222 A223 V227	I190-V192 WeakPolarHBondContact CG1-O 3.3Å; V192-N194 PolarHBondContact O-N 2.89Å; V192-V198 WeakPolarHBondContact CA-O 3.23Å; V192-L199 HydrophobicContact CG2-CD1 3.42Å; V192-L199 VanDerWaalsContact CG2-CD1 3.42Å; V192-Q222 HydrophobicContact CB-CB 3.91Å; V192-Q222 HydrophobicContact CG1-CB 3.89Å; V192-Q222 WeakPolarHBondContact O-CB 3.32Å; V192-A223 HydrophobicContact CB-CB 4.1Å; V192-A223 HydrophobicContact CG2-CB 3.64Å; V192-V227 HydrophobicContact CG2-CG2 4.42Å
193	N	98.3	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.			trans	-65.8	132.3	178.2	179.5	-83.7	0	0	0	111.1	I141 E195 I196 G197 V198	I141-N193 PolarHBondContact O-ND2 3.5Å; N193-E195 VanDerWaalsContact C-N 3.3Å; N193-E195 PolarHBondContact O-N 3.14Å; N193-E195 WeakPolarHBondContact OD1-CA 3.37Å; N193-E195 WeakPolarHBondContact OD1-CB 3.27Å; N193-E195 PolarHBondContact OD1-N 2.98Å; N193-I196 HydrophobicContact CB-CG1 4.03Å; N193-I196 WeakPolarHBondContact OD1-CG1 3.36Å; N193-I196 PolarHBondContact OD1-N 3.01Å; N193-G197 VanDerWaalsContact O-CA 3.26Å; N193-G197 WeakPolarHBondContact O-CA 3.42Å; N193-G197 PolarHBondContact O-N 3.27Å; N193-V198 PolarHBondContact N-O 3Å
194	N	97.4	Very high	98.4	Very high	7 Å²	7	12.2 Å²	12.2	4%	0.037	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.1	-176.1	56.5	-82.6	0	0	0	115	V192 Q222 R394	V192-N194 PolarHBondContact O-N 2.89Å; N194-Q222 HydrophobicContact CB-CG 3.76Å; N194-R394 WeakPolarHBondContact O-CD 3.36Å; N194-R394 PolarHBondContact O-NH1 3.28Å
195	E	96	Very high	98.4	Very high	6 Å²	6	12.2 Å²	12.2	3%	0.028	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-47.5	-179	-64.2	-171.8	-139.3	0	0	112.6	N193 N342 S376 V378 R394	N193-E195 VanDerWaalsContact C-N 3.3Å; N193-E195 PolarHBondContact O-N 3.14Å; N193-E195 WeakPolarHBondContact OD1-CA 3.37Å; N193-E195 WeakPolarHBondContact OD1-CB 3.27Å; N193-E195 PolarHBondContact OD1-N 2.98Å; E195-N342 WeakPolarHBondContact O-CB 3.49Å; E195-N342 PolarHBondContact O-ND2 3.37Å; E195-S376 WeakPolarHBondContact OE2-CB 3.38Å; E195-S376 PolarHBondContact OE2-OG 3.23Å; E195-V378 HydrophobicContact CB-CB 4.43Å; E195-V378 HydrophobicContact CB-CG1 4.37Å; E195-V378 HydrophobicContact CB-CG2 4.48Å; E195-V378 HydrophobicContact CG-CG2 4.27Å; E195-V378 VanDerWaalsContact OE1-CG2 3.3Å; E195-V378 WeakPolarHBondContact OE1-CG2 3.18Å; E195-R394 WeakPolarHBondContact O-CD 3.18Å
196	I	97.3	Very high	98.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-5	-174.3	61.9	170.4	0	0	0	113.7	N193 V198 N330 R336 N342 V378 L379 I382	N193-I196 HydrophobicContact CB-CG1 4.03Å; N193-I196 WeakPolarHBondContact OD1-CG1 3.36Å; N193-I196 PolarHBondContact OD1-N 3.01Å; I196-V198 HydrophobicContact CB-CG2 4.5Å; I196-V198 HydrophobicContact CD1-CB 4.2Å; I196-V198 HydrophobicContact CD1-CG2 3.54Å; I196-V198 HydrophobicContact CG1-CB 4.25Å; I196-V198 HydrophobicContact CG1-CG2 3.79Å; I196-V198 PolarHBondContact O-N 3.11Å; I196-V198 VanDerWaalsContact O-N 3.17Å; I196-N330 HydrophobicContact CG2-CB 3.9Å; I196-R336 PolarHBondContact O-NH2 2.74Å; I196-N342 HydrophobicContact CG2-CB 4.24Å; I196-V378 HydrophobicContact CD1-CG1 4.11Å; I196-V378 HydrophobicContact CG1-CG1 4.13Å; I196-V378 HydrophobicContact CG2-CG1 4.21Å; I196-L379 HydrophobicContact CG2-CD2 3.73Å; I196-I382 HydrophobicContact CD1-CG2 4.15Å
197	G	97.8	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.085	C	C	.	.			trans	75	-0.6	173.3	0	0	0	0	0	115.7	N193 L199 R336 Y337 C340	N193-G197 VanDerWaalsContact O-CA 3.26Å; N193-G197 WeakPolarHBondContact O-CA 3.42Å; N193-G197 PolarHBondContact O-N 3.27Å; G197-L199 PolarHBondContact O-N 3.41Å; G197-R336 CarbonylContact O-C 3.3Å; G197-R336 VanDerWaalsContact O-CA 3.27Å; G197-R336 WeakPolarHBondContact O-CA 3.41Å; G197-R336 WeakPolarHBondContact O-CB 3.12Å; G197-Y337 PolarHBondContact O-N 2.74Å; G197-C340 PolarHBondContact N-SG 3.47Å; G197-C340 VanDerWaalsContact N-SG 3.44Å
198	V	98.5	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-59	134	179.6	175	0	0	0	0	110.8	N168 I170 V192 N193 I196 G331	N168-V198 VanDerWaalsContact O-CG2 3.28Å; N168-V198 WeakPolarHBondContact O-CG2 3.39Å; I170-V198 HydrophobicContact CG1-CG1 3.82Å; V192-V198 WeakPolarHBondContact CA-O 3.23Å; N193-V198 PolarHBondContact N-O 3Å; I196-V198 HydrophobicContact CB-CG2 4.5Å; I196-V198 HydrophobicContact CD1-CB 4.2Å; I196-V198 HydrophobicContact CD1-CG2 3.54Å; I196-V198 HydrophobicContact CG1-CB 4.25Å; I196-V198 HydrophobicContact CG1-CG2 3.79Å; I196-V198 PolarHBondContact O-N 3.11Å; I196-V198 VanDerWaalsContact O-N 3.17Å; V198-G331 VanDerWaalsContact CG2-CA 3.49Å
199	L	98.6	Very high	98.3	Very high	47 Å²	47	19.6 Å²	19.6	25%	0.246	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-96.2	120.9	176.4	-178.2	74.6	0	0	0	108.8	A191 V192 G197 V227 Q335	A191-L199 WeakPolarHBondContact O-CA 3.36Å; A191-L199 WeakPolarHBondContact O-CD1 3.4Å; V192-L199 HydrophobicContact CG2-CD1 3.42Å; V192-L199 VanDerWaalsContact CG2-CD1 3.42Å; G197-L199 PolarHBondContact O-N 3.41Å; L199-V227 HydrophobicContact CD1-CG2 4.14Å; L199-Q335 HydrophobicContact CB-CG 4.28Å; L199-Q335 PolarHBondContact N-O 3.25Å; L199-Q335 WeakPolarHBondContact O-CG 3.3Å
200	Q	98.8	Very high	98.3	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.019	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-76.5	154.4	176.2	-65.5	-62.2	-23.2	0	0	111.3	G169 L171 V189 I190 A191 I202 I205	G169-Q200 PolarHBondContact O-NE2 2.88Å; L171-Q200 VanDerWaalsContact CB-OE1 3.32Å; V189-Q200 HydrophobicContact CG1-CB 3.9Å; V189-Q200 HydrophobicContact CG1-CG 3.68Å; I190-Q200 WeakPolarHBondContact O-CB 3.41Å; I190-Q200 WeakPolarHBondContact O-CG 3.46Å; A191-Q200 PolarHBondContact O-N 3.28Å; Q200-I202 HydrophobicContact CB-CD1 3.91Å; Q200-I202 HydrophobicContact CB-CG1 4.45Å; Q200-I202 WeakPolarHBondContact O-CG1 3.4Å; Q200-I202 PolarHBondContact O-N 3.31Å; Q200-I205 HydrophobicContact CB-CD1 4.31Å
201	P	98.3	Very high	98.2	Very high	13 Å²	13	27.2 Å²	27.2	8%	0.084	13%	0.132	C	C	.	.			trans	-75.4	71.3	177	31.6	-36	0	0	0	111.4	L173 E203 E204 I205	L173-P201 HydrophobicContact CD1-CG 4.47Å; L173-P201 HydrophobicContact CD2-CG 4.11Å; L173-P201 HydrophobicContact CG-CG 4.42Å; P201-E203 VanDerWaalsContact C-N 3.34Å; P201-E203 PolarHBondContact O-N 2.88Å; P201-E204 VanDerWaalsContact C-OE2 3.31Å; P201-E204 WeakPolarHBondContact CA-OE2 3.27Å; P201-E204 HydrophobicContact CB-CB 4.27Å; P201-E204 HydrophobicContact CB-CG 4.44Å; P201-E204 VanDerWaalsContact CB-OE2 3.26Å; P201-E204 WeakPolarHBondContact CB-OE2 3.35Å; P201-E204 PolarHBondContact O-N 3.32Å; P201-I205 HydrophobicContact CG-CD1 4.22Å; P201-I205 HydrophobicContact CG-CG1 4.44Å; P201-I205 WeakPolarHBondContact O-CD1 3.3Å; P201-I205 VanDerWaalsContact O-CG1 3.22Å; P201-I205 WeakPolarHBondContact O-CG1 3.11Å; P201-I205 PolarHBondContact O-N 3.47Å
202	I	98.6	Very high	98.2	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.072	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-36	-170.4	-62.7	-57.3	0	0	0	112.7	A191 Q200 I205 G206 F216 M234 I236	A191-I202 HydrophobicContact CB-CD1 4.29Å; A191-I202 HydrophobicContact CB-CG1 4.11Å; Q200-I202 HydrophobicContact CB-CD1 3.91Å; Q200-I202 HydrophobicContact CB-CG1 4.45Å; Q200-I202 WeakPolarHBondContact O-CG1 3.4Å; Q200-I202 PolarHBondContact O-N 3.31Å; I202-I205 HydrophobicContact CD1-CD1 4.4Å; I202-G206 PolarHBondContact O-N 2.93Å; I202-F216 HydrophobicContact CD1-CZ 3.86Å; I202-F216 HydrophobicContact CG2-CE1 3.68Å; I202-F216 HydrophobicContact CG2-CZ 3.91Å; I202-F216 WeakPolarHBondContact O-CE1 3.42Å; I202-M234 HydrophobicContact CG2-CB 4.34Å; I202-M234 HydrophobicContact CG2-SD 4.11Å; I202-I236 HydrophobicContact CG2-CD1 3.7Å; I202-I236 HydrophobicContact CG2-CG1 4Å
203	E	98.5	Very high	98.1	Very high	78 Å²	78	34.1 Å²	34.1	36%	0.364	18%	0.176	S	C	.	.	H	α-helix	trans	-65.7	-45.7	178.1	-169.7	-172	150.1	0	0	111.4	P201 G206 R207 M234	P201-E203 VanDerWaalsContact C-N 3.34Å; P201-E203 PolarHBondContact O-N 2.88Å; E203-G206 PolarHBondContact O-N 2.92Å; E203-R207 WeakPolarHBondContact O-CB 3.4Å; E203-R207 PolarHBondContact O-N 2.8Å; E203-R207 IonicContact OE1-CZ 3.99Å; E203-R207 IonicContact OE1-NH2 2.8Å; E203-R207 PolarHBondContact OE1-NH2 2.92Å; E203-M234 HydrophobicContact CB-CG 4.14Å; E203-M234 HydrophobicContact CG-CG 4.41Å
204	E	98.7	Very high	98.1	Very high	81 Å²	81	34.3 Å²	34.3	38%	0.379	18%	0.177	S	C	.	.	H	α-helix	trans	-65.7	-42.9	179.4	-63.5	82.8	172	0	0	111.2	L173 P201 R207 L208	L173-E204 HydrophobicContact CD1-CB 3.64Å; L173-E204 HydrophobicContact CD1-CG 4.28Å; P201-E204 VanDerWaalsContact C-OE2 3.31Å; P201-E204 WeakPolarHBondContact CA-OE2 3.27Å; P201-E204 HydrophobicContact CB-CB 4.27Å; P201-E204 HydrophobicContact CB-CG 4.44Å; P201-E204 VanDerWaalsContact CB-OE2 3.26Å; P201-E204 WeakPolarHBondContact CB-OE2 3.35Å; P201-E204 PolarHBondContact O-N 3.32Å; E204-R207 PolarHBondContact O-N 2.75Å; E204-L208 WeakPolarHBondContact O-CB 3.43Å; E204-L208 PolarHBondContact O-N 3.41Å
205	I	98.8	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-46.3	174.5	-66.4	163	0	0	0	110.2	L171 L173 L176 V187 V189 Q200 P201 I202 R207 L208 C209 F216	L171-I205 HydrophobicContact CD2-CD1 4.23Å; L173-I205 HydrophobicContact CD2-CG1 3.61Å; L176-I205 HydrophobicContact CD2-CB 4.46Å; L176-I205 HydrophobicContact CD2-CG1 4.07Å; L176-I205 HydrophobicContact CD2-CG2 3.97Å; V187-I205 HydrophobicContact CG1-CG2 4.24Å; V189-I205 HydrophobicContact CB-CD1 4.17Å; V189-I205 HydrophobicContact CG1-CD1 3.85Å; V189-I205 HydrophobicContact CG2-CD1 4.25Å; V189-I205 HydrophobicContact CG2-CG2 4.44Å; Q200-I205 HydrophobicContact CB-CD1 4.31Å; P201-I205 HydrophobicContact CG-CD1 4.22Å; P201-I205 HydrophobicContact CG-CG1 4.44Å; P201-I205 WeakPolarHBondContact O-CD1 3.3Å; P201-I205 VanDerWaalsContact O-CG1 3.22Å; P201-I205 WeakPolarHBondContact O-CG1 3.11Å; P201-I205 PolarHBondContact O-N 3.47Å; I202-I205 HydrophobicContact CD1-CD1 4.4Å; I205-R207 PolarHBondContact O-N 3.26Å; I205-L208 PolarHBondContact O-N 3.17Å; I205-C209 WeakPolarHBondContact O-CB 3.38Å; I205-C209 PolarHBondContact O-N 2.87Å; I205-C209 PolarHBondContact O-SG 3.35Å; I205-F216 HydrophobicContact CB-CE1 4.29Å; I205-F216 HydrophobicContact CB-CE2 4.35Å; I205-F216 HydrophobicContact CB-CZ 3.96Å; I205-F216 HydrophobicContact CG2-CD1 4.42Å; I205-F216 HydrophobicContact CG2-CD2 3.81Å; I205-F216 HydrophobicContact CG2-CE1 4.03Å; I205-F216 HydrophobicContact CG2-CE2 3.4Å; I205-F216 HydrophobicContact CG2-CG 4.32Å; I205-F216 HydrophobicContact CG2-CZ 3.5Å; I205-F216 VanDerWaalsContact CG2-CZ 3.5Å
206	G	98.8	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-41	178.7	0	0	0	0	0	112.8	I202 E203 L208 C209 R210 F216 M234	I202-G206 PolarHBondContact O-N 2.93Å; E203-G206 PolarHBondContact O-N 2.92Å; G206-L208 PolarHBondContact O-N 2.76Å; G206-C209 PolarHBondContact O-N 3.36Å; G206-R210 VanDerWaalsContact O-CB 3.31Å; G206-R210 WeakPolarHBondContact O-CB 3.47Å; G206-R210 PolarHBondContact O-N 3.3Å; G206-F216 VanDerWaalsContact CA-CD1 3.47Å; G206-M234 WeakPolarHBondContact CA-O 3.32Å
207	R	98.6	Very high	98.4	Very high	135 Å²	135	35.2 Å²	35.2	51%	0.509	18%	0.181	S	C	.	.	H	α-helix	trans	-60.9	-43.8	174.5	-168.5	-175.2	-58.9	155.5	3.1	111.5	E203 E204 I205 S211	E203-R207 WeakPolarHBondContact O-CB 3.4Å; E203-R207 PolarHBondContact O-N 2.8Å; E203-R207 IonicContact OE1-CZ 3.99Å; E203-R207 IonicContact OE1-NH2 2.8Å; E203-R207 PolarHBondContact OE1-NH2 2.92Å; E204-R207 PolarHBondContact O-N 2.75Å; I205-R207 PolarHBondContact O-N 3.26Å; R207-S211 PolarHBondContact O-N 2.83Å
208	L	98.6	Very high	98.4	Very high	21 Å²	21	35.2 Å²	35.2	11%	0.11	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-47	176.2	177	60.7	0	0	0	111.9	L176 E177 I180 E204 I205 G206 R210 S211 K212	L176-L208 HydrophobicContact CB-CD2 4.39Å; L176-L208 HydrophobicContact CD2-CD2 3.83Å; L176-L208 HydrophobicContact CG-CD2 3.83Å; E177-L208 HydrophobicContact CB-CD1 4.04Å; E177-L208 HydrophobicContact CB-CD2 3.91Å; E177-L208 HydrophobicContact CG-CD1 3.97Å; I180-L208 HydrophobicContact CD1-CD2 4.36Å; I180-L208 HydrophobicContact CD1-CG 4.13Å; E204-L208 WeakPolarHBondContact O-CB 3.43Å; E204-L208 PolarHBondContact O-N 3.41Å; I205-L208 PolarHBondContact O-N 3.17Å; G206-L208 PolarHBondContact O-N 2.76Å; L208-R210 VanDerWaalsContact C-N 3.34Å; L208-R210 PolarHBondContact O-N 3Å; L208-S211 PolarHBondContact O-N 2.99Å; L208-S211 PolarHBondContact O-OG 3.21Å; L208-K212 HydrophobicContact CD1-CG 4.21Å; L208-K212 WeakPolarHBondContact O-CG 3.5Å; L208-K212 PolarHBondContact O-N 2.86Å; L208-K212 VanDerWaalsContact O-N 3.15Å
209	C	98.6	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-43.8	178.5	-67.5	0	0	0	0	111.5	I205 G206 S211 K212 G213 V214 F216	I205-C209 WeakPolarHBondContact O-CB 3.38Å; I205-C209 PolarHBondContact O-N 2.87Å; I205-C209 PolarHBondContact O-SG 3.35Å; G206-C209 PolarHBondContact O-N 3.36Å; C209-S211 PolarHBondContact O-N 3.08Å; C209-K212 CarbonylContact O-C 3.6Å; C209-K212 PolarHBondContact O-N 3.44Å; C209-G213 PolarHBondContact O-N 2.8Å; C209-V214 CarbonylContact C-O 3.55Å; C209-V214 PolarHBondContact O-N 2.88Å; C209-F216 HydrophobicContact CB-CB 3.87Å
210	R	97.9	Very high	98.5	Very high	74 Å²	74	33.2 Å²	33.2	28%	0.279	17%	0.171	S	C	.	.	H	α-helix	trans	-61	-43.8	176.9	-177.2	65.7	70.5	-145.6	-2.4	111.7	G206 L208 K212 G213 N235 D237	G206-R210 VanDerWaalsContact O-CB 3.31Å; G206-R210 WeakPolarHBondContact O-CB 3.47Å; G206-R210 PolarHBondContact O-N 3.3Å; L208-R210 VanDerWaalsContact C-N 3.34Å; L208-R210 PolarHBondContact O-N 3Å; R210-K212 VanDerWaalsContact C-N 3.27Å; R210-K212 PolarHBondContact O-N 2.74Å; R210-G213 PolarHBondContact O-N 3.05Å; R210-N235 HydrophobicContact CB-CB 4.3Å; R210-D237 IonicContact CZ-OD1 3.4Å; R210-D237 IonicContact NH1-OD1 3.14Å; R210-D237 PolarHBondContact NH1-OD1 3.42Å; R210-D237 VanDerWaalsContact NH1-OD1 3.14Å; R210-D237 IonicContact NH1-OD2 3.79Å; R210-D237 IonicContact NH2-OD1 2.77Å; R210-D237 PolarHBondContact NH2-OD1 3.43Å; R210-D237 IonicContact NH2-OD2 3.98Å
211	S	97.7	Very high	98.5	Very high	89 Å²	89	33.4 Å²	33.4	62%	0.622	17%	0.173	S	C	*	.	H	α-helix	trans	-66.3	-28.7	-179.6	77.4	0	0	0	0	112.9	R207 L208 C209	R207-S211 PolarHBondContact O-N 2.83Å; L208-S211 PolarHBondContact O-N 2.99Å; L208-S211 PolarHBondContact O-OG 3.21Å; C209-S211 PolarHBondContact O-N 3.08Å
212	K	97.8	Very high	98.5	Very high	96 Å²	96	33.1 Å²	33.1	42%	0.417	17%	0.17	S	C	.	.	H	α-helix	trans	-94.2	-1.4	177.4	-56	-69.3	-177.2	175.9	0	114.1	E177 I180 L208 C209 R210 V214	E177-K212 VanDerWaalsContact OE1-CE 3.24Å; E177-K212 WeakPolarHBondContact OE1-CE 3.49Å; E177-K212 IonicContact OE1-NZ 2.76Å; E177-K212 PolarHBondContact OE1-NZ 2.77Å; I180-K212 HydrophobicContact CD1-CB 4.4Å; I180-K212 HydrophobicContact CD1-CG 4.08Å; I180-K212 HydrophobicContact CG2-CB 3.93Å; I180-K212 HydrophobicContact CG2-CG 4.19Å; L208-K212 HydrophobicContact CD1-CG 4.21Å; L208-K212 WeakPolarHBondContact O-CG 3.5Å; L208-K212 PolarHBondContact O-N 2.86Å; L208-K212 VanDerWaalsContact O-N 3.15Å; C209-K212 CarbonylContact O-C 3.6Å; C209-K212 PolarHBondContact O-N 3.44Å; R210-K212 VanDerWaalsContact C-N 3.27Å; R210-K212 PolarHBondContact O-N 2.74Å; K212-V214 HydrophobicContact CB-CG2 4.19Å
213	G	96.8	Very high	98.5	Very high	52 Å²	52	32.5 Å²	32.5	54%	0.536	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	35.1	-178.9	0	0	0	0	0	114	K133 C209 R210	K133-G213 PolarHBondContact NZ-O 2.82Å; K133-G213 VanDerWaalsContact NZ-O 3.09Å; C209-G213 PolarHBondContact O-N 2.8Å; R210-G213 PolarHBondContact O-N 3.05Å
214	V	98.4	Very high	98.5	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	15%	0.15	C	C	.	.			trans	-109.4	141.5	176.9	-178.3	0	0	0	0	109	I180 T184 V187 C209 K212	I180-V214 HydrophobicContact CG2-CG2 3.78Å; T184-V214 HydrophobicContact CG2-CG1 3.61Å; T184-V214 HydrophobicContact CG2-CG2 4.13Å; V187-V214 HydrophobicContact CG2-CG1 3.9Å; C209-V214 CarbonylContact C-O 3.55Å; C209-V214 PolarHBondContact O-N 2.88Å; K212-V214 HydrophobicContact CB-CG2 4.19Å
215	F	98.8	Very high	98.5	Very high	32 Å²	32	25.3 Å²	25.3	14%	0.14	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.3	175.8	-65.1	-61.2	0	0	0	111	V125 Y129 V185 L186 V187 D237 L238 V263	V125-F215 HydrophobicContact CG1-CD2 3.89Å; Y129-F215 HydrophobicContact CD1-CE2 4.49Å; Y129-F215 HydrophobicContact CD2-CE2 4.02Å; Y129-F215 AromaticContact CE1-CE2 3.92Å; Y129-F215 HydrophobicContact CE1-CE2 3.92Å; Y129-F215 HydrophobicContact CE1-CZ 4.25Å; Y129-F215 HydrophobicContact CE2-CD2 4.21Å; Y129-F215 AromaticContact CE2-CE2 3.42Å; Y129-F215 HydrophobicContact CE2-CE2 3.42Å; Y129-F215 VanDerWaalsContact CE2-CE2 3.42Å; Y129-F215 HydrophobicContact CE2-CZ 4.07Å; Y129-F215 AromaticContact CZ-CE2 3.36Å; Y129-F215 AromaticContact CZ-CZ 3.63Å; Y129-F215 VanDerWaalsContact OH-CZ 3.29Å; Y129-F215 WeakPolarHBondContact OH-CZ 3.45Å; V185-F215 HydrophobicContact CG2-CD2 4.49Å; V185-F215 WeakPolarHBondContact O-CD2 3.4Å; V185-F215 PolarHBondContact O-N 2.93Å; V185-F215 VanDerWaalsContact O-N 3.12Å; L186-F215 WeakPolarHBondContact CA-O 3.2Å; L186-F215 HydrophobicContact CD1-CB 3.98Å; V187-F215 PolarHBondContact N-O 3.24Å; F215-D237 VanDerWaalsContact CA-OD2 3.31Å; F215-D237 WeakPolarHBondContact CA-OD2 3.25Å; F215-D237 HydrophobicContact CB-CB 4.38Å; F215-D237 HydrophobicContact CD1-CB 4.14Å; F215-L238 HydrophobicContact CB-CD1 4.46Å; F215-V263 HydrophobicContact CD1-CG1 4.42Å; F215-V263 HydrophobicContact CD1-CG2 3.88Å; F215-V263 HydrophobicContact CE1-CB 4.42Å; F215-V263 HydrophobicContact CE1-CG1 4.47Å; F215-V263 HydrophobicContact CE1-CG2 3.85Å
216	F	98.9	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.5	175.9	-179.8	-145.4	0	0	0	112.2	V187 V189 I202 I205 G206 C209 I236 D237 L238	V187-F216 HydrophobicContact CG1-CD2 4.31Å; V189-F216 HydrophobicContact CB-CE2 4.16Å; I202-F216 HydrophobicContact CD1-CZ 3.86Å; I202-F216 HydrophobicContact CG2-CE1 3.68Å; I202-F216 HydrophobicContact CG2-CZ 3.91Å; I202-F216 WeakPolarHBondContact O-CE1 3.42Å; I205-F216 HydrophobicContact CB-CE1 4.29Å; I205-F216 HydrophobicContact CB-CE2 4.35Å; I205-F216 HydrophobicContact CB-CZ 3.96Å; I205-F216 HydrophobicContact CG2-CD1 4.42Å; I205-F216 HydrophobicContact CG2-CD2 3.81Å; I205-F216 HydrophobicContact CG2-CE1 4.03Å; I205-F216 HydrophobicContact CG2-CE2 3.4Å; I205-F216 HydrophobicContact CG2-CG 4.32Å; I205-F216 HydrophobicContact CG2-CZ 3.5Å; I205-F216 VanDerWaalsContact CG2-CZ 3.5Å; G206-F216 VanDerWaalsContact CA-CD1 3.47Å; C209-F216 HydrophobicContact CB-CB 3.87Å; F216-I236 HydrophobicContact CD1-CG1 4.07Å; F216-I236 HydrophobicContact CE1-CG1 3.95Å; F216-D237 PolarHBondContact N-OD2 2.9Å; F216-D237 WeakPolarHBondContact O-CA 3.38Å; F216-D237 WeakPolarHBondContact O-CB 3.47Å; F216-D237 PolarHBondContact O-N 3.03Å; F216-L238 PolarHBondContact O-N 3.4Å
217	H	98.9	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.8	167.7	167.5	-105.9	0	0	0	110.4	N118 A121 L186 V187 S188 V189 L238 S240	N118-H217 PolarHBondContact OD1-CE1 2.75Å; N118-H217 PolarHBondContact OD1-NE2 2.85Å; A121-H217 VanDerWaalsContact CB-CD2 3.42Å; A121-H217 WeakPolarHBondContact CB-CD2 3.29Å; L186-H217 HydrophobicContact CD1-CB 3.78Å; L186-H217 HydrophobicContact CG-CB 4.45Å; V187-H217 PolarHBondContact O-N 3.31Å; S188-H217 WeakPolarHBondContact CA-O 3.5Å; S188-H217 PolarHBondContact OG-ND1 2.88Å; V189-H217 PolarHBondContact N-O 3.46Å; H217-L238 WeakPolarHBondContact CA-O 3.44Å; H217-L238 HydrophobicContact CB-CB 4.06Å; H217-L238 HydrophobicContact CB-CD1 4.46Å; H217-S240 PolarHBondContact NE2-OG 2.85Å; H217-S240 VanDerWaalsContact NE2-OG 3.08Å
218	T	98.9	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132	167.4	-170.3	0	0	0	0	112.2	V189 A191 A220 I236 L238 M239 S240	V189-T218 VanDerWaalsContact O-CA 3.24Å; V189-T218 WeakPolarHBondContact O-CA 3.26Å; V189-T218 VanDerWaalsContact O-CB 3.27Å; V189-T218 WeakPolarHBondContact O-CB 3.45Å; V189-T218 PolarHBondContact O-OG1 2.84Å; A191-T218 PolarHBondContact N-OG1 3.21Å; T218-A220 PolarHBondContact O-N 3.39Å; T218-I236 HydrophobicContact CG2-CD1 3.92Å; T218-I236 HydrophobicContact CG2-CG1 4.33Å; T218-I236 HydrophobicContact CG2-CG2 3.96Å; T218-L238 PolarHBondContact N-O 2.93Å; T218-M239 HydrophobicContact CG2-CB 4.18Å; T218-M239 HydrophobicContact CG2-CE 4.09Å; T218-M239 HydrophobicContact CG2-CG 3.94Å; T218-M239 VanDerWaalsContact O-CA 3.3Å; T218-M239 WeakPolarHBondContact O-CA 3.38Å; T218-S240 PolarHBondContact O-N 2.97Å
219	D	98.9	Very high	98.3	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.032	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	105.1	166.9	-177.1	-6.7	0	0	0	109	N118 I190 A191 A221	N118-D219 PolarHBondContact ND2-OD2 2.87Å; I190-D219 HydrophobicContact CB-CB 4.34Å; I190-D219 HydrophobicContact CG1-CB 4.04Å; I190-D219 WeakPolarHBondContact CG1-O 3.34Å; A191-D219 PolarHBondContact N-O 3.33Å; D219-A221 WeakPolarHBondContact OD1-CB 3.28Å; D219-A221 PolarHBondContact OD1-N 2.67Å
220	A	98.8	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.			trans	-101.3	17.5	179.4	0	0	0	0	0	112.6	A191 T218 Q222 A223 F224 I229 M239 S240	A191-A220 HydrophobicContact CB-CB 4.4Å; T218-A220 PolarHBondContact O-N 3.39Å; A220-Q222 PolarHBondContact O-N 2.71Å; A220-Q222 VanDerWaalsContact O-N 3.12Å; A220-A223 HydrophobicContact CB-CB 4.21Å; A220-A223 PolarHBondContact O-N 3.49Å; A220-F224 HydrophobicContact CB-CB 4.42Å; A220-F224 VanDerWaalsContact O-CB 3.3Å; A220-F224 WeakPolarHBondContact O-CB 3.31Å; A220-F224 PolarHBondContact O-N 3.22Å; A220-I229 HydrophobicContact CB-CD1 4.19Å; A220-M239 HydrophobicContact CB-CG 3.43Å; A220-M239 VanDerWaalsContact CB-CG 3.43Å; A220-M239 HydrophobicContact CB-SD 3.69Å; A220-S240 CarbonylContact C-O 3.57Å; A220-S240 WeakPolarHBondContact CA-O 3.39Å; A220-S240 WeakPolarHBondContact CB-O 3.4Å; A220-S240 PolarHBondContact N-O 3.34Å
221	A	98.7	Very high	98.3	Very high	8 Å²	8	24 Å²	24	7%	0.066	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.2	-178.6	0	0	0	0	0	113	A114 D219 S240 K245	A114-A221 HydrophobicContact CB-CB 3.69Å; D219-A221 WeakPolarHBondContact OD1-CB 3.28Å; D219-A221 PolarHBondContact OD1-N 2.67Å; A221-S240 PolarHBondContact N-O 3.41Å; A221-K245 WeakPolarHBondContact O-CB 3.46Å
222	Q	98.5	Very high	98.4	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.033	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-5.6	176	-62.6	-67.7	8.4	0	0	114.1	Q51 V192 N194 A220 K226	Q51-Q222 PolarHBondContact O-NE2 3.36Å; V192-Q222 HydrophobicContact CB-CB 3.91Å; V192-Q222 HydrophobicContact CG1-CB 3.89Å; V192-Q222 WeakPolarHBondContact O-CB 3.32Å; N194-Q222 HydrophobicContact CB-CG 3.76Å; A220-Q222 PolarHBondContact O-N 2.71Å; A220-Q222 VanDerWaalsContact O-N 3.12Å; Q222-K226 WeakPolarHBondContact O-CD 3.15Å
223	A	98.7	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-39.6	-174.1	0	0	0	0	0	112.5	A191 V192 A220 G225 K226 V227 I229	A191-A223 HydrophobicContact CB-CB 3.51Å; V192-A223 HydrophobicContact CB-CB 4.1Å; V192-A223 HydrophobicContact CG2-CB 3.64Å; A220-A223 HydrophobicContact CB-CB 4.21Å; A220-A223 PolarHBondContact O-N 3.49Å; A223-G225 PolarHBondContact O-N 3.47Å; A223-K226 PolarHBondContact O-N 3.49Å; A223-V227 HydrophobicContact CB-CG2 3.75Å; A223-V227 WeakPolarHBondContact O-CG2 3.35Å; A223-V227 PolarHBondContact O-N 2.73Å; A223-I229 HydrophobicContact CB-CD1 3.67Å
224	F	98.7	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.4	178	-175.8	-98.2	0	0	0	110.7	V97 Q100 I101 A220 K226 I241 I246 S295	V97-F224 HydrophobicContact CG1-CE2 4.43Å; V97-F224 HydrophobicContact CG1-CZ 4.07Å; Q100-F224 HydrophobicContact CB-CE2 3.94Å; Q100-F224 HydrophobicContact CB-CZ 3.92Å; Q100-F224 HydrophobicContact CG-CE2 4.17Å; Q100-F224 HydrophobicContact CG-CZ 4.12Å; I101-F224 HydrophobicContact CG2-CD2 3.58Å; I101-F224 HydrophobicContact CG2-CE2 3.56Å; A220-F224 HydrophobicContact CB-CB 4.42Å; A220-F224 VanDerWaalsContact O-CB 3.3Å; A220-F224 WeakPolarHBondContact O-CB 3.31Å; A220-F224 PolarHBondContact O-N 3.22Å; F224-K226 PolarHBondContact O-N 3.11Å; F224-K226 PolarHBondContact O-NZ 3.1Å; F224-I241 HydrophobicContact CB-CG2 4.43Å; F224-I241 HydrophobicContact CD1-CG2 3.55Å; F224-I241 HydrophobicContact CD2-CD1 3.8Å; F224-I241 HydrophobicContact CD2-CG1 3.79Å; F224-I241 HydrophobicContact CD2-CG2 4.13Å; F224-I241 HydrophobicContact CE1-CG2 3.71Å; F224-I241 HydrophobicContact CE2-CD1 3.64Å; F224-I241 HydrophobicContact CE2-CG1 4.13Å; F224-I241 HydrophobicContact CE2-CG2 4.25Å; F224-I241 HydrophobicContact CG-CG1 4.1Å; F224-I241 HydrophobicContact CG-CG2 3.78Å; F224-I241 HydrophobicContact CZ-CD1 4.25Å; F224-I241 HydrophobicContact CZ-CG2 4.07Å; F224-I246 HydrophobicContact CD1-CD1 3.73Å; F224-I246 HydrophobicContact CD1-CG1 4.48Å; F224-I246 HydrophobicContact CD1-CG2 4.2Å; F224-I246 HydrophobicContact CE1-CD1 3.53Å; F224-I246 WeakPolarHBondContact O-CG2 3.34Å; F224-S295 WeakPolarHBondContact CE1-OG 3.22Å
225	G	98.2	Very high	98.5	Very high	8 Å²	8	22.9 Å²	22.9	8%	0.082	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	4.5	-178.6	0	0	0	0	0	116.3	A223	A223-G225 PolarHBondContact O-N 3.47Å
226	K	98.5	Very high	98.5	Very high	18 Å²	18	21.4 Å²	21.4	8%	0.078	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-35.3	-178.7	-67.6	178.8	-154.5	62.4	0	113.1	Q222 A223 F224 K245 I246 Y306 Y337	Q222-K226 WeakPolarHBondContact O-CD 3.15Å; A223-K226 PolarHBondContact O-N 3.49Å; F224-K226 PolarHBondContact O-N 3.11Å; F224-K226 PolarHBondContact O-NZ 3.1Å; K226-K245 WeakPolarHBondContact CE-O 3.13Å; K226-K245 PolarHBondContact NZ-O 3.17Å; K226-I246 VanDerWaalsContact NZ-CG2 3.35Å; K226-Y306 WeakPolarHBondContact O-CD2 3.39Å; K226-Y337 HydrophobicContact CB-CD2 4.13Å; K226-Y337 HydrophobicContact CB-CE2 3.71Å; K226-Y337 HydrophobicContact CD-CE1 3.9Å; K226-Y337 HydrophobicContact CD-CE2 4.02Å; K226-Y337 HydrophobicContact CG-CE2 4.18Å
227	V	97.6	Very high	98.5	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.055	13%	0.129	C	C	.	.	S	Bend	trans	-123.9	149.2	173.8	-64.4	0	0	0	0	109.5	V192 L199 A223 I229 M302 Y306 Y337	V192-V227 HydrophobicContact CG2-CG2 4.42Å; L199-V227 HydrophobicContact CD1-CG2 4.14Å; A223-V227 HydrophobicContact CB-CG2 3.75Å; A223-V227 WeakPolarHBondContact O-CG2 3.35Å; A223-V227 PolarHBondContact O-N 2.73Å; V227-I229 HydrophobicContact CG2-CD1 4.22Å; V227-I229 HydrophobicContact CG2-CG1 4.19Å; V227-I229 PolarHBondContact O-N 2.63Å; V227-M302 VanDerWaalsContact C-SD 3.55Å; V227-Y306 HydrophobicContact CG1-CE2 4.08Å; V227-Y337 HydrophobicContact CG1-CD2 4.22Å
228	P	97.4	Very high	98.5	Very high	98 Å²	98	21.4 Å²	21.4	64%	0.636	13%	0.129	S	C	*	.			trans	-59.3	128.7	174.6	-22.3	33.3	0	0	0	110.8	M234 M302	P228-M234 WeakPolarHBondContact O-CE 3.4Å; P228-M302 HydrophobicContact CB-CE 4.43Å; P228-M302 HydrophobicContact CG-CE 4.1Å
229	I	97.9	Very high	98.5	Very high	17 Å²	17	21.4 Å²	21.4	9%	0.087	13%	0.129	C	C	.	.			trans	-139	129.6	177	-70.4	-179.5	0	0	0	107.3	I101 A220 A223 V227 M234 I236 M239	I101-I229 WeakPolarHBondContact CA-O 3.39Å; I101-I229 HydrophobicContact CG2-CB 4.47Å; I101-I229 HydrophobicContact CG2-CG2 4.1Å; A220-I229 HydrophobicContact CB-CD1 4.19Å; A223-I229 HydrophobicContact CB-CD1 3.67Å; V227-I229 HydrophobicContact CG2-CD1 4.22Å; V227-I229 HydrophobicContact CG2-CG1 4.19Å; V227-I229 PolarHBondContact O-N 2.63Å; I229-M234 HydrophobicContact CB-SD 4.47Å; I229-M234 HydrophobicContact CG2-SD 4.21Å; I229-I236 HydrophobicContact CG2-CD1 4.24Å; I229-M239 HydrophobicContact CG2-CE 3.2Å; I229-M239 HydrophobicContact CG2-SD 4.12Å
230	D	98.6	Very high	98.5	Very high	62 Å²	62	21.1 Å²	21.1	33%	0.332	13%	0.128	S	C	.	.			trans	-128.8	114.8	170.6	-178.3	-57.1	0	0	0	108	I101 N232 A233 M234	I101-D230 WeakPolarHBondContact O-CA 3.41Å; D230-N232 PolarHBondContact O-N 2.89Å; D230-N232 WeakPolarHBondContact OD1-CA 3.35Å; D230-N232 WeakPolarHBondContact OD1-CB 3.34Å; D230-N232 PolarHBondContact OD1-N 2.89Å; D230-A233 HydrophobicContact CB-CB 3.93Å; D230-A233 PolarHBondContact O-N 3.35Å; D230-A233 PolarHBondContact OD1-N 3.12Å; D230-M234 VanDerWaalsContact O-CB 3.23Å; D230-M234 WeakPolarHBondContact O-CB 3.2Å; D230-M234 VanDerWaalsContact O-CG 3.28Å; D230-M234 WeakPolarHBondContact O-CG 3.28Å; D230-M234 PolarHBondContact O-N 3.12Å
231	V	98.8	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-33	-175.2	-68	0	0	0	0	112.4	I101 A103 N235 I236 M239 Y256 R258	I101-V231 HydrophobicContact CB-CG1 4.16Å; I101-V231 HydrophobicContact CD1-CG1 3.89Å; I101-V231 HydrophobicContact CG1-CG1 4.36Å; I101-V231 WeakPolarHBondContact O-CG2 3.47Å; I101-V231 PolarHBondContact O-N 2.95Å; A103-V231 HydrophobicContact CB-CG2 4.05Å; V231-N235 PolarHBondContact O-N 2.91Å; V231-N235 VanDerWaalsContact O-N 3.14Å; V231-I236 HydrophobicContact CB-CB 4.28Å; V231-I236 HydrophobicContact CG1-CB 4.3Å; V231-I236 PolarHBondContact O-N 3.44Å; V231-M239 HydrophobicContact CG1-CE 3.59Å; V231-Y256 HydrophobicContact CB-CD1 4.36Å; V231-Y256 HydrophobicContact CB-CE1 3.79Å; V231-Y256 HydrophobicContact CB-CE2 4.28Å; V231-Y256 HydrophobicContact CG1-CD1 3.82Å; V231-Y256 HydrophobicContact CG1-CD2 4.34Å; V231-Y256 HydrophobicContact CG1-CE1 3.78Å; V231-Y256 HydrophobicContact CG1-CE2 4.29Å; V231-Y256 HydrophobicContact CG1-CG 4.12Å; V231-Y256 HydrophobicContact CG2-CD2 4.5Å; V231-Y256 HydrophobicContact CG2-CE1 4.15Å; V231-Y256 HydrophobicContact CG2-CE2 3.76Å; V231-R258 PolarHBondContact O-NH2 2.86Å
232	N	98.3	Very high	98.5	Very high	78 Å²	78	21 Å²	21	42%	0.417	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-48.4	-177.5	-63	-47.6	0	0	0	111.1	G102 D230 M234 N235 R258	G102-N232 PolarHBondContact O-ND2 3.2Å; D230-N232 PolarHBondContact O-N 2.89Å; D230-N232 WeakPolarHBondContact OD1-CA 3.35Å; D230-N232 WeakPolarHBondContact OD1-CB 3.34Å; D230-N232 PolarHBondContact OD1-N 2.89Å; N232-M234 VanDerWaalsContact C-N 3.29Å; N232-M234 PolarHBondContact O-N 2.79Å; N232-N235 PolarHBondContact O-N 3.22Å; N232-R258 PolarHBondContact OD1-NH1 2.99Å; N232-R258 PolarHBondContact OD1-NH2 2.87Å
233	A	98.1	Very high	98.5	Very high	58 Å²	58	20.6 Å²	20.6	48%	0.479	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-40.4	177	0	0	0	0	0	111.1	D230 N235	D230-A233 HydrophobicContact CB-CB 3.93Å; D230-A233 PolarHBondContact O-N 3.35Å; D230-A233 PolarHBondContact OD1-N 3.12Å; A233-N235 VanDerWaalsContact C-N 3.32Å; A233-N235 PolarHBondContact O-N 3.2Å
234	M	98.6	Very high	98.5	Very high	36 Å²	36	22.4 Å²	22.4	18%	0.177	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.6	-179.2	-59.6	178.1	176.3	0	0	114.1	I202 E203 G206 P228 I229 D230 N232 I236	I202-M234 HydrophobicContact CG2-CB 4.34Å; I202-M234 HydrophobicContact CG2-SD 4.11Å; E203-M234 HydrophobicContact CB-CG 4.14Å; E203-M234 HydrophobicContact CG-CG 4.41Å; G206-M234 WeakPolarHBondContact CA-O 3.32Å; P228-M234 WeakPolarHBondContact O-CE 3.4Å; I229-M234 HydrophobicContact CB-SD 4.47Å; I229-M234 HydrophobicContact CG2-SD 4.21Å; D230-M234 VanDerWaalsContact O-CB 3.23Å; D230-M234 WeakPolarHBondContact O-CB 3.2Å; D230-M234 VanDerWaalsContact O-CG 3.28Å; D230-M234 WeakPolarHBondContact O-CG 3.28Å; D230-M234 PolarHBondContact O-N 3.12Å; N232-M234 VanDerWaalsContact C-N 3.29Å; N232-M234 PolarHBondContact O-N 2.79Å; M234-I236 HydrophobicContact CB-CD1 3.81Å; M234-I236 HydrophobicContact CB-CG1 3.85Å; M234-I236 PolarHBondContact O-N 3.14Å; M234-I236 VanDerWaalsContact O-N 3.1Å; M234-I236 HydrophobicContact SD-CD1 4.22Å
235	N	98.6	Very high	98.5	Very high	44 Å²	44	23.7 Å²	23.7	24%	0.235	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	30.1	180	-70.1	-68.9	0	0	0	115.2	R210 V231 N232 A233	R210-N235 HydrophobicContact CB-CB 4.3Å; V231-N235 PolarHBondContact O-N 2.91Å; V231-N235 VanDerWaalsContact O-N 3.14Å; N232-N235 PolarHBondContact O-N 3.22Å; A233-N235 VanDerWaalsContact C-N 3.32Å; A233-N235 PolarHBondContact O-N 3.2Å
236	I	98.9	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.			trans	-73.4	133.4	-179.2	-61.7	167.8	0	0	0	109.1	I202 F216 T218 I229 V231 M234 L238 M239 Y256 R258	I202-I236 HydrophobicContact CG2-CD1 3.7Å; I202-I236 HydrophobicContact CG2-CG1 4Å; F216-I236 HydrophobicContact CD1-CG1 4.07Å; F216-I236 HydrophobicContact CE1-CG1 3.95Å; T218-I236 HydrophobicContact CG2-CD1 3.92Å; T218-I236 HydrophobicContact CG2-CG1 4.33Å; T218-I236 HydrophobicContact CG2-CG2 3.96Å; I229-I236 HydrophobicContact CG2-CD1 4.24Å; V231-I236 HydrophobicContact CB-CB 4.28Å; V231-I236 HydrophobicContact CG1-CB 4.3Å; V231-I236 PolarHBondContact O-N 3.44Å; M234-I236 HydrophobicContact CB-CD1 3.81Å; M234-I236 HydrophobicContact CB-CG1 3.85Å; M234-I236 PolarHBondContact O-N 3.14Å; M234-I236 VanDerWaalsContact O-N 3.1Å; M234-I236 HydrophobicContact SD-CD1 4.22Å; I236-L238 WeakPolarHBondContact CG2-O 3.48Å; I236-M239 HydrophobicContact CD1-CE 3.35Å; I236-M239 HydrophobicContact CG2-CB 4.1Å; I236-M239 HydrophobicContact CG2-CE 4.21Å; I236-Y256 HydrophobicContact CG2-CD1 4.43Å; I236-Y256 WeakPolarHBondContact O-CE1 3.36Å; I236-R258 PolarHBondContact O-NE 3.34Å; I236-R258 PolarHBondContact O-NH2 2.78Å
237	D	98.9	Very high	98.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.134	C	C	.	.	S	Bend	trans	-97.9	-33.2	177.9	-68.4	-53.9	0	0	0	111.8	R210 F215 F216 R258 V263	R210-D237 IonicContact CZ-OD1 3.4Å; R210-D237 IonicContact NH1-OD1 3.14Å; R210-D237 PolarHBondContact NH1-OD1 3.42Å; R210-D237 VanDerWaalsContact NH1-OD1 3.14Å; R210-D237 IonicContact NH1-OD2 3.79Å; R210-D237 IonicContact NH2-OD1 2.77Å; R210-D237 PolarHBondContact NH2-OD1 3.43Å; R210-D237 IonicContact NH2-OD2 3.98Å; F215-D237 VanDerWaalsContact CA-OD2 3.31Å; F215-D237 WeakPolarHBondContact CA-OD2 3.25Å; F215-D237 HydrophobicContact CB-CB 4.38Å; F215-D237 HydrophobicContact CD1-CB 4.14Å; F216-D237 PolarHBondContact N-OD2 2.9Å; F216-D237 WeakPolarHBondContact O-CA 3.38Å; F216-D237 WeakPolarHBondContact O-CB 3.47Å; F216-D237 PolarHBondContact O-N 3.03Å; D237-R258 VanDerWaalsContact O-CB 3.31Å; D237-R258 WeakPolarHBondContact O-CB 3.38Å; D237-R258 PolarHBondContact O-N 2.94Å; D237-R258 WeakPolarHBondContact OD1-CD 3.5Å; D237-R258 IonicContact OD1-NE 3.65Å; D237-V263 HydrophobicContact CB-CG2 3.74Å
238	L	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.6	174.6	-58.5	101	0	0	0	111.8	A121 V125 L186 F215 F216 H217 T218 I236 L255 Y256 V263 L265	A121-L238 HydrophobicContact CB-CB 4.37Å; A121-L238 HydrophobicContact CB-CD2 3.78Å; V125-L238 HydrophobicContact CG2-CD1 3.67Å; V125-L238 HydrophobicContact CG2-CD2 3.86Å; V125-L238 HydrophobicContact CG2-CG 4.44Å; L186-L238 HydrophobicContact CD1-CD1 4.28Å; F215-L238 HydrophobicContact CB-CD1 4.46Å; F216-L238 PolarHBondContact O-N 3.4Å; H217-L238 WeakPolarHBondContact CA-O 3.44Å; H217-L238 HydrophobicContact CB-CB 4.06Å; H217-L238 HydrophobicContact CB-CD1 4.46Å; T218-L238 PolarHBondContact N-O 2.93Å; I236-L238 WeakPolarHBondContact CG2-O 3.48Å; L238-L255 HydrophobicContact CB-CD1 4.31Å; L238-L255 HydrophobicContact CD2-CD1 4.46Å; L238-L255 HydrophobicContact CD2-CD2 4.49Å; L238-Y256 VanDerWaalsContact CA-O 3.25Å; L238-Y256 WeakPolarHBondContact CA-O 3.17Å; L238-V263 HydrophobicContact CD1-CG1 3.95Å; L238-V263 HydrophobicContact CD2-CG1 4.45Å; L238-V263 HydrophobicContact CG-CG1 4.24Å; L238-L265 HydrophobicContact CD2-CD1 3.88Å; L238-L265 HydrophobicContact CD2-CD2 3.66Å; L238-L265 HydrophobicContact CD2-CG 4.36Å
239	M	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	126.8	175.8	-178.6	-168.6	-65	0	0	113	I101 T218 A220 I229 V231 I236 I241 L255 Y256	I101-M239 HydrophobicContact CD1-SD 4.25Å; I101-M239 HydrophobicContact CG2-CE 4.49Å; I101-M239 HydrophobicContact CG2-SD 3.93Å; T218-M239 HydrophobicContact CG2-CB 4.18Å; T218-M239 HydrophobicContact CG2-CE 4.09Å; T218-M239 HydrophobicContact CG2-CG 3.94Å; T218-M239 VanDerWaalsContact O-CA 3.3Å; T218-M239 WeakPolarHBondContact O-CA 3.38Å; A220-M239 HydrophobicContact CB-CG 3.43Å; A220-M239 VanDerWaalsContact CB-CG 3.43Å; A220-M239 HydrophobicContact CB-SD 3.69Å; I229-M239 HydrophobicContact CG2-CE 3.2Å; I229-M239 HydrophobicContact CG2-SD 4.12Å; V231-M239 HydrophobicContact CG1-CE 3.59Å; I236-M239 HydrophobicContact CD1-CE 3.35Å; I236-M239 HydrophobicContact CG2-CB 4.1Å; I236-M239 HydrophobicContact CG2-CE 4.21Å; M239-I241 HydrophobicContact CG-CG1 4.47Å; M239-I241 HydrophobicContact SD-CG1 4.48Å; M239-L255 WeakPolarHBondContact O-CA 3.44Å; M239-Y256 HydrophobicContact CB-CD1 4.24Å; M239-Y256 PolarHBondContact N-O 2.93Å; M239-Y256 VanDerWaalsContact N-O 3.15Å; M239-Y256 PolarHBondContact O-N 2.9Å
240	S	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.1	176.6	-67	0	0	0	0	112.1	S117 N118 H217 T218 A220 A221	S117-S240 VanDerWaalsContact C-OG 3.31Å; S117-S240 WeakPolarHBondContact CB-OG 3.24Å; N118-S240 PolarHBondContact N-OG 3.35Å; N118-S240 WeakPolarHBondContact OD1-CB 3.25Å; N118-S240 PolarHBondContact OD1-OG 2.71Å; H217-S240 PolarHBondContact NE2-OG 2.85Å; H217-S240 VanDerWaalsContact NE2-OG 3.08Å; T218-S240 PolarHBondContact O-N 2.97Å; A220-S240 CarbonylContact C-O 3.57Å; A220-S240 WeakPolarHBondContact CA-O 3.39Å; A220-S240 WeakPolarHBondContact CB-O 3.4Å; A220-S240 PolarHBondContact N-O 3.34Å; A221-S240 PolarHBondContact N-O 3.41Å
241	I	98.9	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.4	-175.7	-62.2	165.6	0	0	0	109.4	V97 I101 F224 M239 G253 A254 L291	V97-I241 HydrophobicContact CG1-CD1 3.89Å; I101-I241 HydrophobicContact CD1-CD1 4.26Å; F224-I241 HydrophobicContact CB-CG2 4.43Å; F224-I241 HydrophobicContact CD1-CG2 3.55Å; F224-I241 HydrophobicContact CD2-CD1 3.8Å; F224-I241 HydrophobicContact CD2-CG1 3.79Å; F224-I241 HydrophobicContact CD2-CG2 4.13Å; F224-I241 HydrophobicContact CE1-CG2 3.71Å; F224-I241 HydrophobicContact CE2-CD1 3.64Å; F224-I241 HydrophobicContact CE2-CG1 4.13Å; F224-I241 HydrophobicContact CE2-CG2 4.25Å; F224-I241 HydrophobicContact CG-CG1 4.1Å; F224-I241 HydrophobicContact CG-CG2 3.78Å; F224-I241 HydrophobicContact CZ-CD1 4.25Å; F224-I241 HydrophobicContact CZ-CG2 4.07Å; M239-I241 HydrophobicContact CG-CG1 4.47Å; M239-I241 HydrophobicContact SD-CG1 4.48Å; I241-G253 WeakPolarHBondContact O-CA 3.03Å; I241-A254 HydrophobicContact CB-CB 4.21Å; I241-A254 HydrophobicContact CD1-CB 4.31Å; I241-A254 PolarHBondContact N-O 2.55Å; I241-A254 PolarHBondContact O-N 3.17Å; I241-A254 VanDerWaalsContact O-N 3.1Å; I241-L291 HydrophobicContact CG2-CD1 4.39Å
242	S	98.8	Very high	98.7	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130	177.7	-167.2	0	0	0	0	111.7	H244	S242-H244 PolarHBondContact OG-CD2 3.19Å; S242-H244 PolarHBondContact OG-NE2 3.05Å
243	G	98.7	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-68.9	-47.2	-179	0	0	0	0	0	113.7	K245 I246 G248 I252	G243-K245 PolarHBondContact O-N 3.3Å; G243-I246 WeakPolarHBondContact O-CG1 3.41Å; G243-I246 PolarHBondContact O-N 3.06Å; G243-G248 VanDerWaalsContact O-CA 3.27Å; G243-G248 WeakPolarHBondContact O-CA 3.18Å; G243-G248 PolarHBondContact O-N 3.44Å; G243-I252 PolarHBondContact N-O 2.71Å
244	H	98.6	Very high	98.7	Very high	38 Å²	38	16.7 Å²	16.7	18%	0.176	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-72.6	2.8	-175.7	80.3	114.4	0	0	0	115.5	A52 S53 T54 S242 G248 P249 Q250	A52-H244 PolarHBondContact O-CE1 3.12Å; S53-H244 PolarHBondContact OG-ND1 3.43Å; T54-H244 PolarHBondContact N-O 3.4Å; T54-H244 PolarHBondContact OG1-O 3.36Å; S242-H244 PolarHBondContact OG-CD2 3.19Å; S242-H244 PolarHBondContact OG-NE2 3.05Å; H244-G248 WeakPolarHBondContact CA-O 3.42Å; H244-P249 PolarHBondContact N-O 3.11Å; H244-Q250 HydrophobicContact CB-CB 4.21Å; H244-Q250 HydrophobicContact CB-CG 3.46Å; H244-Q250 VanDerWaalsContact CB-CG 3.46Å
245	K	98.4	Very high	98.7	Very high	26 Å²	26	15 Å²	15	11%	0.113	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-95.8	-6.7	169.9	-55.6	-53	-179.6	87.9	0	112.1	Q51 A52 A221 K226 G243	Q51-K245 WeakPolarHBondContact O-CE 3.46Å; Q51-K245 PolarHBondContact O-NZ 3.09Å; A52-K245 VanDerWaalsContact O-CE 3.24Å; A52-K245 WeakPolarHBondContact O-CE 3.48Å; A221-K245 WeakPolarHBondContact O-CB 3.46Å; K226-K245 WeakPolarHBondContact CE-O 3.13Å; K226-K245 PolarHBondContact NZ-O 3.17Å; G243-K245 PolarHBondContact O-N 3.3Å
246	I	98.4	Very high	98.8	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	36	-178.1	58.1	154.3	0	0	0	112.4	F224 K226 G243 G248 L291 A294	F224-I246 HydrophobicContact CD1-CD1 3.73Å; F224-I246 HydrophobicContact CD1-CG1 4.48Å; F224-I246 HydrophobicContact CD1-CG2 4.2Å; F224-I246 HydrophobicContact CE1-CD1 3.53Å; F224-I246 WeakPolarHBondContact O-CG2 3.34Å; K226-I246 VanDerWaalsContact NZ-CG2 3.35Å; G243-I246 WeakPolarHBondContact O-CG1 3.41Å; G243-I246 PolarHBondContact O-N 3.06Å; I246-G248 PolarHBondContact O-N 3.2Å; I246-L291 HydrophobicContact CD1-CD1 4.31Å; I246-A294 HydrophobicContact CD1-CB 3.81Å; I246-A294 HydrophobicContact CG1-CB 4.14Å
247	Y	98.7	Very high	98.8	Very high	14 Å²	14	13.4 Å²	13.4	6%	0.055	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	17.2	-178	-40.7	-81.9	0	0	0	114	F50 T54 Q55 M56 D57 G398 R399 F400	F50-Y247 HydrophobicContact CD1-CE1 4.12Å; F50-Y247 AromaticContact CE1-CE1 3.97Å; F50-Y247 HydrophobicContact CE1-CE1 3.97Å; T54-Y247 HydrophobicContact CG2-CD1 4.24Å; T54-Y247 HydrophobicContact CG2-CE1 4.04Å; T54-Y247 WeakPolarHBondContact OG1-CA 3.45Å; T54-Y247 PolarHBondContact OG1-N 2.9Å; Q55-Y247 WeakPolarHBondContact O-CA 3.49Å; Q55-Y247 WeakPolarHBondContact O-CD1 3.4Å; M56-Y247 WeakPolarHBondContact CA-O 3.22Å; D57-Y247 PolarHBondContact N-O 3.48Å; Y247-G398 WeakPolarHBondContact OH-CA 2.98Å; Y247-R399 HydrophobicContact CE1-CB 3.89Å; Y247-R399 HydrophobicContact CE2-CB 3.95Å; Y247-R399 VanDerWaalsContact CZ-CB 3.47Å; Y247-R399 WeakPolarHBondContact OH-CB 3.48Å; Y247-R399 PolarHBondContact OH-N 3.42Å; Y247-F400 HydrophobicContact CD1-CD2 4.17Å; Y247-F400 AromaticContact CD1-CE2 3.7Å; Y247-F400 HydrophobicContact CD1-CE2 3.7Å; Y247-F400 HydrophobicContact CE1-CD2 4.02Å; Y247-F400 AromaticContact CE1-CE2 3.98Å; Y247-F400 HydrophobicContact CE1-CE2 3.98Å; Y247-F400 HydrophobicContact CG-CE2 4.44Å
248	G	98.8	Very high	98.8	Very high	3 Å²	3	13.9 Å²	13.9	3%	0.031	8%	0.077	C	C	.	.			trans	-88.3	-179.2	169	0	0	0	0	0	113.1	G243 H244 I246	G243-G248 VanDerWaalsContact O-CA 3.27Å; G243-G248 WeakPolarHBondContact O-CA 3.18Å; G243-G248 PolarHBondContact O-N 3.44Å; H244-G248 WeakPolarHBondContact CA-O 3.42Å; I246-G248 PolarHBondContact O-N 3.2Å
249	P	98.7	Very high	98.7	Very high	5 Å²	5	20 Å²	20	3%	0.032	10%	0.1	C	C	.	.			trans	-73.8	153.8	177.5	27.9	-31.8	0	0	0	113.3	M56 M64 H244 I252 L287	M56-P249 HydrophobicContact CE-CB 3.68Å; M64-P249 HydrophobicContact CE-CB 3.83Å; M64-P249 HydrophobicContact CE-CG 3.86Å; M64-P249 HydrophobicContact SD-CB 4.03Å; M64-P249 HydrophobicContact SD-CG 3.76Å; H244-P249 PolarHBondContact N-O 3.11Å; P249-I252 HydrophobicContact CG-CG2 3.72Å; P249-L287 HydrophobicContact CB-CD2 4.01Å; P249-L287 HydrophobicContact CG-CB 4.5Å; P249-L287 HydrophobicContact CG-CD2 4.25Å
250	Q	98.7	Very high	98.5	Very high	131 Å²	131	30.2 Å²	30.2	61%	0.612	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	156.5	164.2	-68.8	177.2	-24.1	0	0	110.6	S53 H244	S53-Q250 PolarHBondContact OG-NE2 3.45Å; S53-Q250 VanDerWaalsContact OG-NE2 3.11Å; H244-Q250 HydrophobicContact CB-CB 4.21Å; H244-Q250 HydrophobicContact CB-CG 3.46Å; H244-Q250 VanDerWaalsContact CB-CG 3.46Å
251	G	98.5	Very high	98.3	Very high	43 Å²	43	33.8 Å²	33.8	44%	0.443	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	14	178	0	0	0	0	0	115.1	S112	S112-G251 CarbonylContact O-C 3.56Å; S112-G251 WeakPolarHBondContact O-CA 3.43Å
252	I	98.9	Very high	98.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	19%	0.192	C	C	.	.			trans	-138.5	142.4	171.4	-168.4	73.5	0	0	0	111.6	T111 S112 G243 P249 P284 L287 V288 L291	T111-I252 WeakPolarHBondContact O-CD1 3.14Å; S112-I252 PolarHBondContact O-N 3.19Å; G243-I252 PolarHBondContact N-O 2.71Å; P249-I252 HydrophobicContact CG-CG2 3.72Å; I252-P284 HydrophobicContact CD1-CG 4Å; I252-L287 HydrophobicContact CB-CB 3.9Å; I252-L287 HydrophobicContact CD1-CB 4.3Å; I252-L287 HydrophobicContact CG1-CB 4.25Å; I252-L287 HydrophobicContact CG2-CB 4.22Å; I252-V288 HydrophobicContact CD1-CG2 3.66Å; I252-V288 HydrophobicContact CG1-CG2 4.37Å; I252-L291 HydrophobicContact CG1-CB 4.17Å; I252-L291 HydrophobicContact CG1-CD2 3.92Å; I252-L291 HydrophobicContact CG2-CB 3.98Å
253	G	98.9	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	-172.1	169.6	0	0	0	0	0	110.6	T111 I241	T111-G253 PolarHBondContact N-O 2.86Å; T111-G253 PolarHBondContact O-N 3.1Å; I241-G253 WeakPolarHBondContact O-CA 3.03Å
254	A	98.9	Very high	98.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.7	170.7	0	0	0	0	0	110.5	V97 I108 I109 F110 S117 I241 L291	V97-A254 HydrophobicContact CG1-CB 4.31Å; I108-A254 HydrophobicContact CG2-CB 3.88Å; I109-A254 CarbonylContact O-C 3.31Å; I109-A254 WeakPolarHBondContact O-CA 3.38Å; F110-A254 HydrophobicContact CD1-CB 4.36Å; S117-A254 WeakPolarHBondContact CB-O 3.14Å; S117-A254 VanDerWaalsContact OG-C 3.23Å; S117-A254 PolarHBondContact OG-O 3.48Å; I241-A254 HydrophobicContact CB-CB 4.21Å; I241-A254 HydrophobicContact CD1-CB 4.31Å; I241-A254 PolarHBondContact N-O 2.55Å; I241-A254 PolarHBondContact O-N 3.17Å; I241-A254 VanDerWaalsContact O-N 3.1Å; A254-L291 HydrophobicContact CB-CD2 4.29Å
255	L	98.9	Very high	98.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.9	166.9	177.4	63.1	0	0	0	107.4	I109 T111 L120 A121 L238 M239 V257 L265	I109-L255 HydrophobicContact CB-CB 4.47Å; I109-L255 WeakPolarHBondContact CB-O 3.48Å; I109-L255 PolarHBondContact N-O 3.29Å; I109-L255 PolarHBondContact O-N 3.1Å; T111-L255 HydrophobicContact CG2-CB 4.3Å; L120-L255 HydrophobicContact CB-CD2 4.07Å; L120-L255 HydrophobicContact CD2-CD2 3.74Å; L120-L255 HydrophobicContact CG-CD2 3.72Å; A121-L255 HydrophobicContact CB-CD1 3.87Å; A121-L255 HydrophobicContact CB-CD2 4.27Å; L238-L255 HydrophobicContact CB-CD1 4.31Å; L238-L255 HydrophobicContact CD2-CD1 4.46Å; L238-L255 HydrophobicContact CD2-CD2 4.49Å; M239-L255 WeakPolarHBondContact O-CA 3.44Å; L255-V257 HydrophobicContact CD2-CG2 3.81Å; L255-V257 HydrophobicContact CG-CG2 3.73Å; L255-L265 HydrophobicContact CD2-CD1 4.06Å
256	Y	98.9	Very high	98.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.6	162.8	167.2	-102.1	0	0	0	108.9	I101 A103 E107 I108 V231 I236 L238 M239 R258	I101-Y256 HydrophobicContact CD1-CD2 4.12Å; I101-Y256 HydrophobicContact CD1-CG 4.18Å; A103-Y256 HydrophobicContact CB-CD2 3.69Å; A103-Y256 HydrophobicContact CB-CE2 3.6Å; E107-Y256 HydrophobicContact CB-CD2 3.7Å; E107-Y256 HydrophobicContact CB-CE2 3.54Å; E107-Y256 HydrophobicContact CG-CE2 4.16Å; E107-Y256 CarbonylContact O-C 2.97Å; E107-Y256 WeakPolarHBondContact O-CA 3.42Å; E107-Y256 WeakPolarHBondContact OE2-CE2 3.43Å; I108-Y256 HydrophobicContact CD1-CD2 4.26Å; V231-Y256 HydrophobicContact CB-CD1 4.36Å; V231-Y256 HydrophobicContact CB-CE1 3.79Å; V231-Y256 HydrophobicContact CB-CE2 4.28Å; V231-Y256 HydrophobicContact CG1-CD1 3.82Å; V231-Y256 HydrophobicContact CG1-CD2 4.34Å; V231-Y256 HydrophobicContact CG1-CE1 3.78Å; V231-Y256 HydrophobicContact CG1-CE2 4.29Å; V231-Y256 HydrophobicContact CG1-CG 4.12Å; V231-Y256 HydrophobicContact CG2-CD2 4.5Å; V231-Y256 HydrophobicContact CG2-CE1 4.15Å; V231-Y256 HydrophobicContact CG2-CE2 3.76Å; I236-Y256 HydrophobicContact CG2-CD1 4.43Å; I236-Y256 WeakPolarHBondContact O-CE1 3.36Å; L238-Y256 VanDerWaalsContact CA-O 3.25Å; L238-Y256 WeakPolarHBondContact CA-O 3.17Å; M239-Y256 HydrophobicContact CB-CD1 4.24Å; M239-Y256 PolarHBondContact N-O 2.93Å; M239-Y256 VanDerWaalsContact N-O 3.15Å; M239-Y256 PolarHBondContact O-N 2.9Å; Y256-R258 HydrophobicContact CE1-CB 3.92Å; Y256-R258 WeakPolarHBondContact OH-CB 3.44Å; Y256-R258 PolarHBondContact OH-NH2 3.34Å
257	V	98.8	Very high	98	Very high	10 Å²	10	50 Å²	50	6%	0.061	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	108.1	175.4	-173.3	0	0	0	0	108.8	E107 I109 L255 R259 V263 L265 L278	E107-V257 WeakPolarHBondContact CB-O 3.38Å; E107-V257 PolarHBondContact O-N 3.34Å; I109-V257 HydrophobicContact CG1-CG2 4.03Å; L255-V257 HydrophobicContact CD2-CG2 3.81Å; L255-V257 HydrophobicContact CG-CG2 3.73Å; V257-R259 PolarHBondContact O-N 3.36Å; V257-V263 HydrophobicContact CG1-CB 4.13Å; V257-V263 HydrophobicContact CG1-CG1 4.24Å; V257-L265 HydrophobicContact CB-CD1 4.42Å; V257-L265 HydrophobicContact CG1-CD1 3.83Å; V257-L265 HydrophobicContact CG1-CG 4.3Å; V257-L265 HydrophobicContact CG2-CD1 3.63Å; V257-L278 HydrophobicContact CG2-CD1 4.35Å
258	R	98.7	Very high	98	Very high	11 Å²	11	52.5 Å²	52.5	4%	0.042	24%	0.242	C	C	.	.			trans	-58.1	131.5	-177.4	-179.6	177.6	-72.9	-69.5	-10.9	112.3	E107 V231 N232 I236 D237 Y256 R260 P261 V263	E107-R258 WeakPolarHBondContact OE1-CA 3.43Å; V231-R258 PolarHBondContact O-NH2 2.86Å; N232-R258 PolarHBondContact OD1-NH1 2.99Å; N232-R258 PolarHBondContact OD1-NH2 2.87Å; I236-R258 PolarHBondContact O-NE 3.34Å; I236-R258 PolarHBondContact O-NH2 2.78Å; D237-R258 VanDerWaalsContact O-CB 3.31Å; D237-R258 WeakPolarHBondContact O-CB 3.38Å; D237-R258 PolarHBondContact O-N 2.94Å; D237-R258 WeakPolarHBondContact OD1-CD 3.5Å; D237-R258 IonicContact OD1-NE 3.65Å; Y256-R258 HydrophobicContact CE1-CB 3.92Å; Y256-R258 WeakPolarHBondContact OH-CB 3.44Å; Y256-R258 PolarHBondContact OH-NH2 3.34Å; R258-R260 VanDerWaalsContact CD-O 3.3Å; R258-R260 WeakPolarHBondContact CD-O 3.24Å; R258-R260 WeakPolarHBondContact CG-O 3.34Å; R258-R260 PolarHBondContact NH1-O 2.77Å; R258-R260 VanDerWaalsContact NH1-O 3.16Å; R258-P261 WeakPolarHBondContact CG-O 3.3Å; R258-V263 HydrophobicContact CB-CG2 3.83Å; R258-V263 WeakPolarHBondContact O-CB 3.45Å; R258-V263 PolarHBondContact O-N 2.88Å
259	R	97.6	Very high	97.9	Very high	128 Å²	128	56 Å²	56	48%	0.483	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-23.8	176.4	-73.8	-179.7	75.9	-156	2.3	113.6	K106 E107 V257 P261 R262	K106-R259 VanDerWaalsContact CB-NH1 3.27Å; E107-R259 HydrophobicContact CG-CB 4.13Å; E107-R259 HydrophobicContact CG-CG 3.85Å; E107-R259 PolarHBondContact OE1-N 3Å; V257-R259 PolarHBondContact O-N 3.36Å; R259-P261 CarbonylContact C-O 3.49Å; R259-R262 WeakPolarHBondContact O-CA 3.17Å; R259-R262 WeakPolarHBondContact O-CB 3.46Å; R259-R262 PolarHBondContact O-N 2.77Å
260	R	95.4	Very high	97.8	Very high	216 Å²	216	62.6 Å²	62.6	82%	0.815	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.8	117	178	-67.2	-173	179	-177	0.1	111.7	R258	R258-R260 VanDerWaalsContact CD-O 3.3Å; R258-R260 WeakPolarHBondContact CD-O 3.24Å; R258-R260 WeakPolarHBondContact CG-O 3.34Å; R258-R260 PolarHBondContact NH1-O 2.77Å; R258-R260 VanDerWaalsContact NH1-O 3.16Å
261	P	94.5	Very high	97.7	Very high	75 Å²	75	59.3 Å²	59.3	49%	0.487	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	cis	-55.1	149.8	-16.5	25.2	-36	0	0	0	112	R258 R259 V263	R258-P261 WeakPolarHBondContact CG-O 3.3Å; R259-P261 CarbonylContact C-O 3.49Å; P261-V263 PolarHBondContact O-N 3.13Å
262	R	97	Very high	97.6	Very high	167 Å²	167	60.5 Å²	60.5	63%	0.63	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	117.8	-169.4	-174.6	175.7	-178.4	176.2	2	111.9	R259 R264	R259-R262 WeakPolarHBondContact O-CA 3.17Å; R259-R262 WeakPolarHBondContact O-CB 3.46Å; R259-R262 PolarHBondContact O-N 2.77Å; R262-R264 HydrophobicContact CG-CG 4.32Å
263	V	98.2	Very high	97.4	Very high	8 Å²	8	62.1 Å²	62.1	5%	0.048	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-86.8	142.3	166.5	-176.4	0	0	0	0	108.9	V125 F215 D237 L238 V257 R258 P261 L265	V125-V263 HydrophobicContact CG2-CG1 4.45Å; F215-V263 HydrophobicContact CD1-CG1 4.42Å; F215-V263 HydrophobicContact CD1-CG2 3.88Å; F215-V263 HydrophobicContact CE1-CB 4.42Å; F215-V263 HydrophobicContact CE1-CG1 4.47Å; F215-V263 HydrophobicContact CE1-CG2 3.85Å; D237-V263 HydrophobicContact CB-CG2 3.74Å; L238-V263 HydrophobicContact CD1-CG1 3.95Å; L238-V263 HydrophobicContact CD2-CG1 4.45Å; L238-V263 HydrophobicContact CG-CG1 4.24Å; V257-V263 HydrophobicContact CG1-CB 4.13Å; V257-V263 HydrophobicContact CG1-CG1 4.24Å; R258-V263 HydrophobicContact CB-CG2 3.83Å; R258-V263 WeakPolarHBondContact O-CB 3.45Å; R258-V263 PolarHBondContact O-N 2.88Å; P261-V263 PolarHBondContact O-N 3.13Å; V263-L265 HydrophobicContact CG1-CD2 4.21Å
264	R	97.9	Very high	97.3	Very high	118 Å²	118	64.3 Å²	64.3	45%	0.445	33%	0.333	S	S	.	.			trans	-126.4	147.3	174.6	-62.7	-167.4	-170.7	-161.4	11.3	110.4	F128 Y129 R262	F128-R264 HydrophobicContact CD1-CB 3.62Å; F128-R264 HydrophobicContact CD2-CB 4.04Å; F128-R264 HydrophobicContact CE1-CB 3.44Å; F128-R264 VanDerWaalsContact CE1-CB 3.44Å; F128-R264 HydrophobicContact CE1-CG 4.09Å; F128-R264 HydrophobicContact CE2-CB 3.85Å; F128-R264 HydrophobicContact CG-CB 3.95Å; F128-R264 HydrophobicContact CZ-CB 3.58Å; F128-R264 HydrophobicContact CZ-CG 4.06Å; Y129-R264 WeakPolarHBondContact CE2-O 3.34Å; Y129-R264 PolarHBondContact OH-N 3.12Å; R262-R264 HydrophobicContact CG-CG 4.32Å
265	L	97.1	Very high	97.3	Very high	13 Å²	13	65 Å²	65	7%	0.068	34%	0.337	C	S	.	.			trans	-137.5	145.8	-176.2	-50.3	172.6	0	0	0	109.3	G124 V125 L238 L255 V257 V263 L278	G124-L265 WeakPolarHBondContact O-CA 3.38Å; V125-L265 HydrophobicContact CB-CD2 3.98Å; V125-L265 HydrophobicContact CG2-CD2 3.11Å; L238-L265 HydrophobicContact CD2-CD1 3.88Å; L238-L265 HydrophobicContact CD2-CD2 3.66Å; L238-L265 HydrophobicContact CD2-CG 4.36Å; L255-L265 HydrophobicContact CD2-CD1 4.06Å; V257-L265 HydrophobicContact CB-CD1 4.42Å; V257-L265 HydrophobicContact CG1-CD1 3.83Å; V257-L265 HydrophobicContact CG1-CG 4.3Å; V257-L265 HydrophobicContact CG2-CD1 3.63Å; V263-L265 HydrophobicContact CG1-CD2 4.21Å; L265-L278 HydrophobicContact CB-CD2 4.04Å
266	E	97.8	Very high	97.1	Very high	87 Å²	87	70.4 Å²	70.4	41%	0.407	36%	0.357	S	S	.	.			trans	-81.6	126.4	161.4	-171.6	-175.2	117.7	0	0	109.4	G124 K127 Q268	G124-E266 VanDerWaalsContact CA-O 3.3Å; G124-E266 WeakPolarHBondContact CA-O 3.11Å; G124-E266 PolarHBondContact O-N 2.8Å; K127-E266 HydrophobicContact CB-CB 4.22Å; K127-E266 WeakPolarHBondContact CB-OE2 3.43Å; K127-E266 WeakPolarHBondContact CD-OE1 3.27Å; E266-Q268 PolarHBondContact O-NE2 3.32Å
267	A	98	Very high	97	Very high	20 Å²	20	72.1 Å²	72.1	17%	0.165	37%	0.374	C	S	.	.			trans	-63	137.3	175.9	0	0	0	0	0	110.8	G277 L278	A267-G277 WeakPolarHBondContact CB-O 3.44Å; A267-L278 WeakPolarHBondContact CB-O 3.35Å
268	Q	97.2	Very high	97	Very high	65 Å²	65	73.2 Å²	73.2	30%	0.304	38%	0.38	S	S	.	.	S	Bend	trans	-93	-20.1	175.6	-57.1	-53.1	-72.2	0	0	112.4	L120 K123 E266	L120-Q268 HydrophobicContact CD1-CB 4.48Å; L120-Q268 HydrophobicContact CD1-CG 4.06Å; K123-Q268 HydrophobicContact CB-CG 4.39Å; E266-Q268 PolarHBondContact O-NE2 3.32Å
269	Q	97.6	Very high	97	Very high	78 Å²	78	74.2 Å²	74.2	36%	0.364	38%	0.383	S	S	.	.	S	Bend	trans	-115.1	108.9	178.7	-172.7	161.7	-63.2	0	0	110.7	S280	Q269-S280 PolarHBondContact NE2-O 3.38Å; Q269-S280 WeakPolarHBondContact O-CB 3.37Å; Q269-S280 PolarHBondContact O-N 3.45Å; Q269-S280 PolarHBondContact O-OG 3.08Å
270	N	96.8	Very high	97	Very high	143 Å²	143	68.3 Å²	68.3	77%	0.765	36%	0.362	S	S	*	.			trans	-82.4	153.6	-178.6	-64	-49.2	0	0	0	112.1
271	G	96.1	Very high	97.1	Very high	62 Å²	62	59.2 Å²	59.2	64%	0.639	34%	0.336	S	S	*	.	S	Bend	trans	155.9	-148.8	-178.8	0	0	0	0	0	111.9	G273 S280	G271-G273 PolarHBondContact O-N 3.06Å; G271-S280 VanDerWaalsContact CA-CB 3.48Å; G271-S280 WeakPolarHBondContact CA-OG 3.29Å; G271-S280 PolarHBondContact N-OG 2.81Å
272	G	95.5	Very high	97.3	Very high	67 Å²	67	59.9 Å²	59.9	69%	0.691	34%	0.338	S	S	*	.	S	Bend	trans	-71.7	11.4	-172.2	0	0	0	0	0	116.6	Q274	G272-Q274 PolarHBondContact O-N 3.19Å
273	G	95.6	Very high	97.3	Very high	36 Å²	36	52.1 Å²	52.1	37%	0.371	31%	0.309	S	S	.	.			trans	74.9	23.7	174.6	0	0	0	0	0	114.7	G271 G277 S280	G271-G273 PolarHBondContact O-N 3.06Å; G273-G277 PolarHBondContact O-N 3.35Å; G273-S280 PolarHBondContact N-OG 3.02Å
274	Q	97.3	Very high	97.3	Very high	46 Å²	46	54 Å²	54	22%	0.215	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	164.1	170.4	-66.3	74.6	29.5	0	0	111.5	H76 G272 R276 G277 R279 G281	H76-Q274 WeakPolarHBondContact CE1-CG 3.33Å; H76-Q274 WeakPolarHBondContact NE2-CG 3.31Å; G272-Q274 PolarHBondContact O-N 3.19Å; Q274-R276 PolarHBondContact O-N 3.26Å; Q274-G277 PolarHBondContact O-N 3.11Å; Q274-G277 VanDerWaalsContact O-N 3.1Å; Q274-R279 CarbonylContact C-O 3.56Å; Q274-R279 CarbonylContact O-C 3.37Å; Q274-G281 WeakPolarHBondContact CB-O 3.49Å; Q274-G281 WeakPolarHBondContact CG-O 3.45Å
275	E	97.7	Very high	97.4	Very high	16 Å²	16	49 Å²	49	8%	0.075	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	49.2	48.5	-177.7	-61.8	-65.7	100.7	0	0	112	R94 I109 F110 G277 L278 R279 V283	R94-E275 IonicContact CZ-OE1 3.2Å; R94-E275 IonicContact CZ-OE2 2.74Å; R94-E275 IonicContact NH1-OE1 2.77Å; R94-E275 IonicContact NH1-OE2 3.91Å; R94-E275 PolarHBondContact NH1-OE2 3.49Å; R94-E275 IonicContact NH2-OE1 3.76Å; R94-E275 PolarHBondContact NH2-OE1 3.36Å; R94-E275 IonicContact NH2-OE2 3.64Å; I109-E275 WeakPolarHBondContact CA-OE2 3.3Å; I109-E275 HydrophobicContact CG2-CB 3.97Å; F110-E275 PolarHBondContact N-OE2 3.32Å; E275-G277 PolarHBondContact O-N 3.45Å; E275-L278 PolarHBondContact O-N 2.81Å; E275-L278 VanDerWaalsContact O-N 3.12Å; E275-R279 HydrophobicContact CB-CB 4.01Å; E275-R279 HydrophobicContact CG-CB 4.37Å; E275-V283 HydrophobicContact CG-CG2 4.15Å
276	R	96.1	Very high	97.5	Very high	113 Å²	113	48.7 Å²	48.7	43%	0.426	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	61.7	30.5	175.4	-48.5	175.6	-175.9	95.2	10.7	113	K106 I108 Q274 L278	K106-R276 PolarHBondContact O-NH1 2.88Å; K106-R276 VanDerWaalsContact O-NH1 3.15Å; I108-R276 PolarHBondContact O-NH1 2.64Å; Q274-R276 PolarHBondContact O-N 3.26Å; R276-L278 VanDerWaalsContact C-N 3.27Å; R276-L278 PolarHBondContact O-N 2.99Å
277	G	96.7	Very high	97.5	Very high	35 Å²	35	46.2 Å²	46.2	36%	0.361	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	79.8	1	-179.6	0	0	0	0	0	114.7	A267 G273 Q274 E275	A267-G277 WeakPolarHBondContact CB-O 3.44Å; G273-G277 PolarHBondContact O-N 3.35Å; Q274-G277 PolarHBondContact O-N 3.11Å; Q274-G277 VanDerWaalsContact O-N 3.1Å; E275-G277 PolarHBondContact O-N 3.45Å
278	L	97.8	Very high	97.5	Very high	33 Å²	33	45.3 Å²	45.3	17%	0.173	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-26.9	-177.7	-65.8	179.2	0	0	0	113.1	I109 V257 L265 A267 E275 R276	I109-L278 HydrophobicContact CD1-CD1 3.93Å; I109-L278 HydrophobicContact CG1-CD1 3.92Å; I109-L278 HydrophobicContact CG2-CB 4.27Å; V257-L278 HydrophobicContact CG2-CD1 4.35Å; L265-L278 HydrophobicContact CB-CD2 4.04Å; A267-L278 WeakPolarHBondContact CB-O 3.35Å; E275-L278 PolarHBondContact O-N 2.81Å; E275-L278 VanDerWaalsContact O-N 3.12Å; R276-L278 VanDerWaalsContact C-N 3.27Å; R276-L278 PolarHBondContact O-N 2.99Å
279	R	98.3	Very high	97.6	Very high	32 Å²	32	43 Å²	43	12%	0.121	28%	0.276	C	S	.	.	S	Bend	trans	-148.6	93.2	-177.7	-161.6	-76.5	179.6	172.7	3.6	110.1	I109 E116 Q274 E275	I109-R279 HydrophobicContact CG2-CB 3.9Å; E116-R279 VanDerWaalsContact OE1-CG 3.26Å; E116-R279 WeakPolarHBondContact OE1-CG 3.48Å; E116-R279 IonicContact OE1-CZ 3.3Å; E116-R279 IonicContact OE1-NE 3.13Å; E116-R279 PolarHBondContact OE1-NE 2.73Å; E116-R279 IonicContact OE1-NH2 3.04Å; E116-R279 PolarHBondContact OE1-NH2 2.75Å; E116-R279 IonicContact OE2-CZ 3.38Å; E116-R279 IonicContact OE2-NE 3.92Å; E116-R279 IonicContact OE2-NH2 2.67Å; E116-R279 PolarHBondContact OE2-NH2 2.77Å; E116-R279 VanDerWaalsContact OE2-NH2 3.11Å; Q274-R279 CarbonylContact C-O 3.56Å; Q274-R279 CarbonylContact O-C 3.37Å; E275-R279 HydrophobicContact CB-CB 4.01Å; E275-R279 HydrophobicContact CG-CB 4.37Å
280	S	98.1	Very high	97.7	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	26%	0.258	C	S	.	.			trans	-71.1	158.6	178.8	-62.1	0	0	0	0	112.4	Q269 G271 G273	Q269-S280 PolarHBondContact NE2-O 3.38Å; Q269-S280 WeakPolarHBondContact O-CB 3.37Å; Q269-S280 PolarHBondContact O-N 3.45Å; Q269-S280 PolarHBondContact O-OG 3.08Å; G271-S280 VanDerWaalsContact CA-CB 3.48Å; G271-S280 WeakPolarHBondContact CA-OG 3.29Å; G271-S280 PolarHBondContact N-OG 2.81Å; G273-S280 PolarHBondContact N-OG 3.02Å
281	G	97.7	Very high	97.8	Very high	25 Å²	25	32.4 Å²	32.4	26%	0.258	22%	0.222	S	C	.	.	S	Bend	trans	115.5	159.3	179.3	0	0	0	0	0	113.1	Q274 V283	Q274-G281 WeakPolarHBondContact CB-O 3.49Å; Q274-G281 WeakPolarHBondContact CG-O 3.45Å; G281-V283 PolarHBondContact O-N 2.84Å
282	T	98.2	Very high	97.9	Very high	88 Å²	88	29.5 Å²	29.5	54%	0.54	19%	0.192	S	C	.	.			trans	-59.5	132.2	178.8	-54.6	0	0	0	0	110.3	P284	T282-P284 WeakPolarHBondContact O-CD 3.49Å
283	V	98.4	Very high	98.1	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.024	17%	0.166	C	C	.	.			trans	-79.8	120	175.9	174.2	0	0	0	0	106.8	P75 H76 V90 F110 E275 G281 T285 V288	P75-V283 HydrophobicContact CG-CB 4.06Å; H76-V283 PolarHBondContact NE2-N 2.99Å; V90-V283 HydrophobicContact CG1-CG1 4.05Å; V90-V283 HydrophobicContact CG2-CG1 3.95Å; F110-V283 HydrophobicContact CD2-CG1 4.22Å; E275-V283 HydrophobicContact CG-CG2 4.15Å; G281-V283 PolarHBondContact O-N 2.84Å; V283-T285 PolarHBondContact O-N 2.77Å; V283-V288 HydrophobicContact CG1-CB 4.48Å; V283-V288 HydrophobicContact CG1-CG2 3.62Å
284	P	98.5	Very high	98.2	Very high	48 Å²	48	26.2 Å²	26.2	31%	0.312	15%	0.149	S	C	.	.			trans	-77.6	88.2	-174.3	31.1	-34.6	0	0	0	110.2	I252 T282 A286 L287 V288	I252-P284 HydrophobicContact CD1-CG 4Å; T282-P284 WeakPolarHBondContact O-CD 3.49Å; P284-A286 VanDerWaalsContact C-N 3.33Å; P284-A286 PolarHBondContact O-N 3.27Å; P284-A286 VanDerWaalsContact O-N 3.15Å; P284-L287 HydrophobicContact CB-CB 4.21Å; P284-L287 HydrophobicContact CB-CD1 3.97Å; P284-L287 HydrophobicContact CB-CG 4.14Å; P284-L287 HydrophobicContact CG-CB 4.14Å; P284-L287 HydrophobicContact CG-CD1 4.05Å; P284-L287 HydrophobicContact CG-CG 4.44Å; P284-L287 PolarHBondContact O-N 3.19Å; P284-V288 PolarHBondContact O-N 3.15Å
285	T	98.7	Very high	98.3	Very high	13 Å²	13	24 Å²	24	8%	0.08	14%	0.139	C	C	.	.	H	α-helix	trans	-44.1	-52.5	-171.2	-51.2	0	0	0	0	113.3	F67 P75 C86 A89 V90 V283 L287 V288 V289	F67-T285 HydrophobicContact CB-CG2 4.46Å; F67-T285 HydrophobicContact CD1-CG2 3.41Å; F67-T285 VanDerWaalsContact CD1-CG2 3.41Å; F67-T285 HydrophobicContact CE1-CG2 3.88Å; F67-T285 HydrophobicContact CG-CG2 4.08Å; P75-T285 WeakPolarHBondContact CD-OG1 3.48Å; C86-T285 HydrophobicContact CB-CG2 3.84Å; A89-T285 HydrophobicContact CB-CG2 4.41Å; V90-T285 HydrophobicContact CG2-CG2 4.17Å; V283-T285 PolarHBondContact O-N 2.77Å; T285-L287 PolarHBondContact O-N 2.73Å; T285-V288 PolarHBondContact O-N 2.85Å; T285-V289 HydrophobicContact CG2-CG2 4.36Å; T285-V289 WeakPolarHBondContact O-CB 3.37Å; T285-V289 VanDerWaalsContact O-CG2 3.28Å; T285-V289 WeakPolarHBondContact O-CG2 3.44Å; T285-V289 PolarHBondContact O-N 2.99Å
286	A	98.7	Very high	98.4	Very high	7 Å²	7	26.8 Å²	26.8	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-43.2	-178.6	0	0	0	0	0	112.7	M64 F67 Y68 P284 V289 G290	M64-A286 WeakPolarHBondContact CG-O 3.37Å; F67-A286 HydrophobicContact CB-CB 3.75Å; Y68-A286 HydrophobicContact CD1-CB 4.22Å; Y68-A286 HydrophobicContact CD2-CB 3.94Å; Y68-A286 HydrophobicContact CE1-CB 3.79Å; Y68-A286 HydrophobicContact CE2-CB 3.48Å; Y68-A286 VanDerWaalsContact CE2-CB 3.48Å; Y68-A286 HydrophobicContact CG-CB 4.29Å; P284-A286 VanDerWaalsContact C-N 3.33Å; P284-A286 PolarHBondContact O-N 3.27Å; P284-A286 VanDerWaalsContact O-N 3.15Å; A286-V289 PolarHBondContact O-N 2.73Å; A286-G290 PolarHBondContact O-N 3.12Å
287	L	98.9	Very high	98.5	Very high	35 Å²	35	21.5 Å²	21.5	18%	0.183	13%	0.128	C	C	.	.	H	α-helix	trans	-68.5	-39.3	178.7	-57.1	-178.1	0	0	0	111.7	M64 Y68 P249 I252 P284 T285 G290 L291	M64-L287 HydrophobicContact CE-CD2 3.87Å; Y68-L287 WeakPolarHBondContact OH-CD2 3.27Å; P249-L287 HydrophobicContact CB-CD2 4.01Å; P249-L287 HydrophobicContact CG-CB 4.5Å; P249-L287 HydrophobicContact CG-CD2 4.25Å; I252-L287 HydrophobicContact CB-CB 3.9Å; I252-L287 HydrophobicContact CD1-CB 4.3Å; I252-L287 HydrophobicContact CG1-CB 4.25Å; I252-L287 HydrophobicContact CG2-CB 4.22Å; P284-L287 HydrophobicContact CB-CB 4.21Å; P284-L287 HydrophobicContact CB-CD1 3.97Å; P284-L287 HydrophobicContact CB-CG 4.14Å; P284-L287 HydrophobicContact CG-CB 4.14Å; P284-L287 HydrophobicContact CG-CD1 4.05Å; P284-L287 HydrophobicContact CG-CG 4.44Å; P284-L287 PolarHBondContact O-N 3.19Å; T285-L287 PolarHBondContact O-N 2.73Å; L287-G290 PolarHBondContact O-N 2.81Å; L287-L291 PolarHBondContact O-N 3.1Å
288	V	98.8	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-45.2	175.4	163.2	0	0	0	0	111.2	V90 A93 F110 I252 V283 P284 T285 G290 L291 G292	V90-V288 HydrophobicContact CB-CG1 4.34Å; V90-V288 HydrophobicContact CG1-CG1 4.27Å; V90-V288 HydrophobicContact CG2-CG1 4.13Å; A93-V288 HydrophobicContact CB-CG1 3.6Å; A93-V288 WeakPolarHBondContact CB-O 3.34Å; F110-V288 HydrophobicContact CB-CG2 4.27Å; F110-V288 HydrophobicContact CD1-CG1 4.37Å; F110-V288 HydrophobicContact CD1-CG2 3.85Å; F110-V288 HydrophobicContact CD2-CG1 4.11Å; F110-V288 HydrophobicContact CD2-CG2 3.85Å; F110-V288 HydrophobicContact CE1-CB 4.46Å; F110-V288 HydrophobicContact CE1-CG1 3.8Å; F110-V288 HydrophobicContact CE1-CG2 4.12Å; F110-V288 HydrophobicContact CE2-CB 4.48Å; F110-V288 HydrophobicContact CE2-CG1 3.49Å; F110-V288 VanDerWaalsContact CE2-CG1 3.49Å; F110-V288 HydrophobicContact CE2-CG2 4.12Å; F110-V288 HydrophobicContact CG-CG2 3.72Å; F110-V288 HydrophobicContact CZ-CB 4.38Å; F110-V288 HydrophobicContact CZ-CG1 3.33Å; F110-V288 HydrophobicContact CZ-CG2 4.26Å; I252-V288 HydrophobicContact CD1-CG2 3.66Å; I252-V288 HydrophobicContact CG1-CG2 4.37Å; V283-V288 HydrophobicContact CG1-CB 4.48Å; V283-V288 HydrophobicContact CG1-CG2 3.62Å; P284-V288 PolarHBondContact O-N 3.15Å; T285-V288 PolarHBondContact O-N 2.85Å; V288-G290 VanDerWaalsContact C-N 3.26Å; V288-G290 PolarHBondContact O-N 3.03Å; V288-L291 PolarHBondContact O-N 2.82Å; V288-G292 PolarHBondContact O-N 2.69Å
289	V	98.9	Very high	98.5	Very high	16 Å²	16	20.9 Å²	20.9	10%	0.097	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-43.2	174.1	169.5	0	0	0	0	110.4	A63 F67 A89 T285 A286 L291 G292 E293	A63-V289 HydrophobicContact CB-CG1 4.15Å; A63-V289 VanDerWaalsContact O-CG1 3.29Å; A63-V289 WeakPolarHBondContact O-CG1 3.42Å; F67-V289 HydrophobicContact CD2-CB 4.19Å; F67-V289 HydrophobicContact CD2-CG1 4.03Å; F67-V289 HydrophobicContact CD2-CG2 3.92Å; F67-V289 HydrophobicContact CE1-CG2 4.34Å; F67-V289 HydrophobicContact CE2-CB 4.19Å; F67-V289 HydrophobicContact CE2-CG1 3.78Å; F67-V289 HydrophobicContact CE2-CG2 3.69Å; F67-V289 HydrophobicContact CG-CG2 4.36Å; F67-V289 HydrophobicContact CZ-CG2 3.91Å; A89-V289 HydrophobicContact CB-CG2 3.86Å; T285-V289 HydrophobicContact CG2-CG2 4.36Å; T285-V289 WeakPolarHBondContact O-CB 3.37Å; T285-V289 VanDerWaalsContact O-CG2 3.28Å; T285-V289 WeakPolarHBondContact O-CG2 3.44Å; T285-V289 PolarHBondContact O-N 2.99Å; A286-V289 PolarHBondContact O-N 2.73Å; V289-L291 PolarHBondContact O-N 3.23Å; V289-G292 PolarHBondContact O-N 3.24Å; V289-E293 WeakPolarHBondContact O-CB 3.36Å; V289-E293 PolarHBondContact O-N 3.04Å
290	G	98.9	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-44.7	175.8	0	0	0	0	0	113.5	V60 M64 A286 L287 V288 E293 A294	V60-G290 WeakPolarHBondContact CG1-O 3.42Å; M64-G290 VanDerWaalsContact CG-CA 3.46Å; A286-G290 PolarHBondContact O-N 3.12Å; L287-G290 PolarHBondContact O-N 2.81Å; V288-G290 VanDerWaalsContact C-N 3.26Å; V288-G290 PolarHBondContact O-N 3.03Å; G290-E293 PolarHBondContact O-N 3.49Å; G290-A294 VanDerWaalsContact O-CB 3.28Å; G290-A294 WeakPolarHBondContact O-CB 3.33Å; G290-A294 PolarHBondContact O-N 2.88Å
291	L	98.9	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-42.6	174.2	173.2	61.5	0	0	0	111.8	V97 F110 I241 I246 I252 A254 L287 V288 V289 A294 S295	V97-L291 HydrophobicContact CG2-CD2 4.19Å; V97-L291 HydrophobicContact CG2-CG 3.88Å; F110-L291 HydrophobicContact CD1-CD2 4.1Å; F110-L291 HydrophobicContact CE1-CD2 3.98Å; I241-L291 HydrophobicContact CG2-CD1 4.39Å; I246-L291 HydrophobicContact CD1-CD1 4.31Å; I252-L291 HydrophobicContact CG1-CB 4.17Å; I252-L291 HydrophobicContact CG1-CD2 3.92Å; I252-L291 HydrophobicContact CG2-CB 3.98Å; A254-L291 HydrophobicContact CB-CD2 4.29Å; L287-L291 PolarHBondContact O-N 3.1Å; V288-L291 PolarHBondContact O-N 2.82Å; V289-L291 PolarHBondContact O-N 3.23Å; L291-A294 PolarHBondContact O-N 2.67Å; L291-S295 WeakPolarHBondContact O-CB 3.25Å; L291-S295 PolarHBondContact O-N 3.04Å; L291-S295 PolarHBondContact O-OG 2.71Å
292	G	98.9	Very high	98.4	Very high	1 Å²	1	26 Å²	26	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-41.5	178.3	0	0	0	0	0	112.7	N96 V288 V289 S295 R296	N96-G292 WeakPolarHBondContact CB-O 3.35Å; N96-G292 PolarHBondContact ND2-O 3.44Å; N96-G292 VanDerWaalsContact ND2-O 3.09Å; V288-G292 PolarHBondContact O-N 2.69Å; V289-G292 PolarHBondContact O-N 3.24Å; G292-S295 PolarHBondContact O-N 3.43Å; G292-R296 PolarHBondContact O-N 3.47Å
293	E	98.9	Very high	98.4	Very high	33 Å²	33	28.6 Å²	28.6	15%	0.154	14%	0.144	C	C	.	.	H	α-helix	trans	-70.6	-41	177	-175.9	61.2	-173.4	0	0	111.6	V60 A63 V289 G290 S295 R296 L297	V60-E293 HydrophobicContact CG2-CB 4.32Å; V60-E293 HydrophobicContact CG2-CG 4.13Å; A63-E293 HydrophobicContact CB-CB 3.94Å; A63-E293 HydrophobicContact CB-CG 3.79Å; V289-E293 WeakPolarHBondContact O-CB 3.36Å; V289-E293 PolarHBondContact O-N 3.04Å; G290-E293 PolarHBondContact O-N 3.49Å; E293-S295 VanDerWaalsContact C-N 3.26Å; E293-S295 PolarHBondContact O-N 2.72Å; E293-R296 WeakPolarHBondContact O-CB 3.46Å; E293-R296 PolarHBondContact O-N 2.74Å; E293-R296 IonicContact OE1-CZ 3.78Å; E293-R296 IonicContact OE1-NE 3.95Å; E293-R296 PolarHBondContact OE1-NE 3.47Å; E293-R296 IonicContact OE1-NH2 2.73Å; E293-R296 PolarHBondContact OE1-NH2 2.91Å; E293-R296 IonicContact OE2-CZ 2.76Å; E293-R296 IonicContact OE2-NE 2.8Å; E293-R296 PolarHBondContact OE2-NE 3.19Å; E293-R296 IonicContact OE2-NH2 2.84Å; E293-L297 HydrophobicContact CG-CD1 4.31Å; E293-L297 WeakPolarHBondContact O-CG 3.19Å; E293-L297 PolarHBondContact O-N 3.45Å
294	A	98.9	Very high	98.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-39.8	173.2	0	0	0	0	0	111.5	V60 I246 G290 L291 A298	V60-A294 HydrophobicContact CG2-CB 3.84Å; I246-A294 HydrophobicContact CD1-CB 3.81Å; I246-A294 HydrophobicContact CG1-CB 4.14Å; G290-A294 VanDerWaalsContact O-CB 3.28Å; G290-A294 WeakPolarHBondContact O-CB 3.33Å; G290-A294 PolarHBondContact O-N 2.88Å; L291-A294 PolarHBondContact O-N 2.67Å; A294-A298 VanDerWaalsContact O-CB 3.24Å; A294-A298 WeakPolarHBondContact O-CB 3.4Å; A294-A298 PolarHBondContact O-N 3.2Å
295	S	98.8	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.1	-38.3	177.5	-55.5	0	0	0	0	112.5	V97 F224 L291 G292 E293 S299	V97-S295 WeakPolarHBondContact CG2-OG 3.38Å; F224-S295 WeakPolarHBondContact CE1-OG 3.22Å; L291-S295 WeakPolarHBondContact O-CB 3.25Å; L291-S295 PolarHBondContact O-N 3.04Å; L291-S295 PolarHBondContact O-OG 2.71Å; G292-S295 PolarHBondContact O-N 3.43Å; E293-S295 VanDerWaalsContact C-N 3.26Å; E293-S295 PolarHBondContact O-N 2.72Å; S295-S299 PolarHBondContact O-N 3.42Å; S295-S299 PolarHBondContact O-OG 2.91Å
296	R	98.7	Very high	98.3	Very high	74 Å²	74	33.6 Å²	33.6	28%	0.279	16%	0.161	S	C	.	.	H	α-helix	trans	-62.8	-51.1	174.3	-171.4	-168.4	68.9	73.8	3.6	110.9	N96 G292 E293 A298 S299 E300	N96-R296 HydrophobicContact CB-CB 4.38Å; G292-R296 PolarHBondContact O-N 3.47Å; E293-R296 WeakPolarHBondContact O-CB 3.46Å; E293-R296 PolarHBondContact O-N 2.74Å; E293-R296 IonicContact OE1-CZ 3.78Å; E293-R296 IonicContact OE1-NE 3.95Å; E293-R296 PolarHBondContact OE1-NE 3.47Å; E293-R296 IonicContact OE1-NH2 2.73Å; E293-R296 PolarHBondContact OE1-NH2 2.91Å; E293-R296 IonicContact OE2-CZ 2.76Å; E293-R296 IonicContact OE2-NE 2.8Å; E293-R296 PolarHBondContact OE2-NE 3.19Å; E293-R296 IonicContact OE2-NH2 2.84Å; R296-A298 VanDerWaalsContact C-N 3.33Å; R296-A298 PolarHBondContact O-N 3.36Å; R296-S299 WeakPolarHBondContact O-CB 3.29Å; R296-S299 PolarHBondContact O-N 3.26Å; R296-S299 VanDerWaalsContact O-N 3.12Å; R296-E300 IonicContact CZ-OE1 3.38Å; R296-E300 IonicContact CZ-OE2 3.09Å; R296-E300 IonicContact NH1-OE1 3.88Å; R296-E300 PolarHBondContact NH1-OE1 3.17Å; R296-E300 IonicContact NH1-OE2 3.31Å; R296-E300 PolarHBondContact NH1-OE2 3.4Å; R296-E300 PolarHBondContact O-N 2.87Å; R296-E300 VanDerWaalsContact O-N 3.14Å
297	L	98.3	Very high	98.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-41.5	177.8	-68.9	173.4	0	0	0	111.8	D57 R59 V60 E293 S299 E300 E301	D57-L297 HydrophobicContact CB-CD1 4.38Å; R59-L297 HydrophobicContact CB-CD1 3.87Å; V60-L297 HydrophobicContact CG2-CD1 3.88Å; E293-L297 HydrophobicContact CG-CD1 4.31Å; E293-L297 WeakPolarHBondContact O-CG 3.19Å; E293-L297 PolarHBondContact O-N 3.45Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-S299 PolarHBondContact O-N 3.47Å; L297-E300 PolarHBondContact O-N 3.33Å; L297-E301 WeakPolarHBondContact O-CB 3.33Å; L297-E301 WeakPolarHBondContact O-CG 3.45Å; L297-E301 PolarHBondContact O-N 3.03Å
298	A	97.9	Very high	98.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-41.8	174.6	0	0	0	0	0	111.3	A294 R296 E300 E301 M302	A294-A298 VanDerWaalsContact O-CB 3.24Å; A294-A298 WeakPolarHBondContact O-CB 3.4Å; A294-A298 PolarHBondContact O-N 3.2Å; R296-A298 VanDerWaalsContact C-N 3.33Å; R296-A298 PolarHBondContact O-N 3.36Å; A298-E300 VanDerWaalsContact C-N 3.28Å; A298-E300 PolarHBondContact O-N 3.1Å; A298-E301 PolarHBondContact O-N 3.47Å; A298-M302 WeakPolarHBondContact O-CA 3.49Å; A298-M302 WeakPolarHBondContact O-CB 3.28Å; A298-M302 PolarHBondContact O-N 3.22Å
299	S	96.4	Very high	98.3	Very high	55 Å²	55	38.7 Å²	38.7	39%	0.385	18%	0.183	S	C	.	.	H	α-helix	trans	-61.1	-36.6	177	-55.7	0	0	0	0	112.8	Q100 S295 R296 L297	Q100-S299 WeakPolarHBondContact CG-OG 3.4Å; S295-S299 PolarHBondContact O-N 3.42Å; S295-S299 PolarHBondContact O-OG 2.91Å; R296-S299 WeakPolarHBondContact O-CB 3.29Å; R296-S299 PolarHBondContact O-N 3.26Å; R296-S299 VanDerWaalsContact O-N 3.12Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-S299 PolarHBondContact O-N 3.47Å
300	E	97.6	Very high	98.2	Very high	117 Å²	117	39.8 Å²	39.8	55%	0.547	19%	0.191	S	C	.	.	H	α-helix	trans	-80.1	-36.6	-179.5	-70.6	168.9	-170.1	0	0	113	R296 L297 A298	R296-E300 IonicContact CZ-OE1 3.38Å; R296-E300 IonicContact CZ-OE2 3.09Å; R296-E300 IonicContact NH1-OE1 3.88Å; R296-E300 PolarHBondContact NH1-OE1 3.17Å; R296-E300 IonicContact NH1-OE2 3.31Å; R296-E300 PolarHBondContact NH1-OE2 3.4Å; R296-E300 PolarHBondContact O-N 2.87Å; R296-E300 VanDerWaalsContact O-N 3.14Å; L297-E300 PolarHBondContact O-N 3.33Å; A298-E300 VanDerWaalsContact C-N 3.28Å; A298-E300 PolarHBondContact O-N 3.1Å
301	E	97.7	Very high	98.2	Very high	13 Å²	13	42.7 Å²	42.7	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-106.7	-7	-169.1	-59.8	-174.6	154.5	0	0	113.8	R10 R59 L297 A298 K303 D304 D305 R399	R10-E301 WeakPolarHBondContact CD-OE1 3.41Å; R10-E301 IonicContact NE-OE1 3.68Å; R59-E301 IonicContact CZ-OE1 3.11Å; R59-E301 IonicContact CZ-OE2 3.4Å; R59-E301 IonicContact NH1-OE1 3.73Å; R59-E301 PolarHBondContact NH1-OE1 3.08Å; R59-E301 IonicContact NH1-OE2 3.51Å; R59-E301 VanDerWaalsContact NH2-CD 3.33Å; R59-E301 IonicContact NH2-OE1 3.47Å; R59-E301 PolarHBondContact NH2-OE1 3.25Å; R59-E301 VanDerWaalsContact NH2-OE1 3.1Å; R59-E301 IonicContact NH2-OE2 3.08Å; R59-E301 PolarHBondContact NH2-OE2 2.98Å; L297-E301 WeakPolarHBondContact O-CB 3.33Å; L297-E301 WeakPolarHBondContact O-CG 3.45Å; L297-E301 PolarHBondContact O-N 3.03Å; A298-E301 PolarHBondContact O-N 3.47Å; E301-K303 VanDerWaalsContact C-N 3.3Å; E301-K303 PolarHBondContact O-N 3.24Å; E301-D304 PolarHBondContact O-N 3.15Å; E301-D305 WeakPolarHBondContact O-CB 3.18Å; E301-D305 PolarHBondContact O-N 3.3Å; E301-R399 IonicContact OE2-CZ 2.74Å; E301-R399 IonicContact OE2-NE 2.81Å; E301-R399 PolarHBondContact OE2-NE 3.17Å; E301-R399 IonicContact OE2-NH1 3.66Å; E301-R399 PolarHBondContact OE2-NH1 3.29Å; E301-R399 IonicContact OE2-NH2 2.64Å; E301-R399 PolarHBondContact OE2-NH2 3.03Å
302	M	97.7	Very high	98.2	Very high	38 Å²	38	42.9 Å²	42.9	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-54.2	-43.7	-173.7	174.2	176.5	71.3	0	0	112.7	V227 P228 A298 Y306	V227-M302 VanDerWaalsContact C-SD 3.55Å; P228-M302 HydrophobicContact CB-CE 4.43Å; P228-M302 HydrophobicContact CG-CE 4.1Å; A298-M302 WeakPolarHBondContact O-CA 3.49Å; A298-M302 WeakPolarHBondContact O-CB 3.28Å; A298-M302 PolarHBondContact O-N 3.22Å; M302-Y306 VanDerWaalsContact O-CB 3.22Å; M302-Y306 WeakPolarHBondContact O-CB 3.4Å; M302-Y306 PolarHBondContact O-N 3.1Å
303	K	98	Very high	98.2	Very high	144 Å²	144	43 Å²	43	63%	0.626	22%	0.218	S	C	*	.	H	α-helix	trans	-60.8	-54.5	179.4	-178	-176	171.8	-171.5	0	110.9	E301 D305 Y306 E307	E301-K303 VanDerWaalsContact C-N 3.3Å; E301-K303 PolarHBondContact O-N 3.24Å; K303-D305 VanDerWaalsContact C-N 3.32Å; K303-D305 PolarHBondContact O-N 3.23Å; K303-Y306 WeakPolarHBondContact O-CB 3Å; K303-Y306 PolarHBondContact O-N 2.87Å; K303-E307 WeakPolarHBondContact CE-OE1 3.48Å; K303-E307 IonicContact NZ-OE1 3.71Å; K303-E307 PolarHBondContact O-N 3.44Å
304	D	98	Very high	98.2	Very high	68 Å²	68	47.5 Å²	47.5	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-68.3	-33.6	-176.5	-61	-3.4	0	0	0	112.3	R10 E301 H308	R10-D304 IonicContact CZ-OD2 3.76Å; R10-D304 VanDerWaalsContact NH1-CG 3.35Å; R10-D304 IonicContact NH1-OD2 3.64Å; R10-D304 PolarHBondContact NH1-OD2 3.46Å; E301-D304 PolarHBondContact O-N 3.15Å; D304-H308 VanDerWaalsContact O-CB 3.31Å; D304-H308 WeakPolarHBondContact O-CB 3.37Å; D304-H308 PolarHBondContact O-N 3.05Å
305	D	98	Very high	98.2	Very high	14 Å²	14	52.1 Å²	52.1	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-67.2	-39.7	173.9	-78.1	-6.6	0	0	0	110.6	R10 E301 K303 H308 V309 R399	R10-D305 IonicContact CZ-OD1 2.6Å; R10-D305 IonicContact NE-OD1 2.68Å; R10-D305 IonicContact NH2-OD1 3.63Å; R10-D305 PolarHBondContact NH2-OD1 3.43Å; E301-D305 WeakPolarHBondContact O-CB 3.18Å; E301-D305 PolarHBondContact O-N 3.3Å; K303-D305 VanDerWaalsContact C-N 3.32Å; K303-D305 PolarHBondContact O-N 3.23Å; D305-H308 PolarHBondContact O-N 3.39Å; D305-V309 VanDerWaalsContact O-CB 3.28Å; D305-V309 WeakPolarHBondContact O-CB 3.38Å; D305-V309 WeakPolarHBondContact O-CG2 3.21Å; D305-V309 PolarHBondContact O-N 2.81Å; D305-R399 IonicContact OD1-NE 3.39Å; D305-R399 IonicContact OD2-CZ 2.82Å; D305-R399 IonicContact OD2-NE 2.78Å; D305-R399 PolarHBondContact OD2-NE 2.86Å; D305-R399 IonicContact OD2-NH2 3.82Å; D305-R399 PolarHBondContact OD2-NH2 3.09Å
306	Y	98.3	Very high	98.2	Very high	87 Å²	87	52.1 Å²	52.1	34%	0.341	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-42.2	175.9	-167.5	-83.6	0	0	0	111.7	K226 V227 M302 K303 S310 Y337 P338	K226-Y306 WeakPolarHBondContact O-CD2 3.39Å; V227-Y306 HydrophobicContact CG1-CE2 4.08Å; M302-Y306 VanDerWaalsContact O-CB 3.22Å; M302-Y306 WeakPolarHBondContact O-CB 3.4Å; M302-Y306 PolarHBondContact O-N 3.1Å; K303-Y306 WeakPolarHBondContact O-CB 3Å; K303-Y306 PolarHBondContact O-N 2.87Å; Y306-S310 WeakPolarHBondContact CE1-OG 3.4Å; Y306-S310 WeakPolarHBondContact O-CB 3.13Å; Y306-S310 PolarHBondContact O-N 2.69Å; Y306-S310 PolarHBondContact O-OG 2.78Å; Y306-Y337 HydrophobicContact CD2-CD2 4.46Å; Y306-Y337 HydrophobicContact CD2-CE2 4.37Å; Y306-Y337 HydrophobicContact CE2-CD2 4.23Å; Y306-P338 HydrophobicContact CD2-CG 4.29Å; Y306-P338 HydrophobicContact CE1-CG 4.24Å; Y306-P338 HydrophobicContact CE2-CG 3.88Å
307	E	98.4	Very high	98.1	Very high	109 Å²	109	50.2 Å²	50.2	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-47	174.6	-72.7	176.4	-173.1	0	0	111.5	K303 S310 A311	K303-E307 WeakPolarHBondContact CE-OE1 3.48Å; K303-E307 IonicContact NZ-OE1 3.71Å; K303-E307 PolarHBondContact O-N 3.44Å; E307-S310 WeakPolarHBondContact O-CB 3.41Å; E307-S310 PolarHBondContact O-N 2.82Å; E307-A311 PolarHBondContact O-N 3.29Å
308	H	98.2	Very high	98.1	Very high	40 Å²	40	53.5 Å²	53.5	19%	0.185	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-51.5	177.1	178.8	81.7	0	0	0	112.1	R14 D304 D305 S310 A311 L312 T401	R14-H308 PolarHBondContact NH1-CE1 3.41Å; R14-H308 PolarHBondContact NH1-ND1 3.38Å; R14-H308 PolarHBondContact NH2-CD2 3.31Å; R14-H308 PolarHBondContact NH2-ND1 3.09Å; D304-H308 VanDerWaalsContact O-CB 3.31Å; D304-H308 WeakPolarHBondContact O-CB 3.37Å; D304-H308 PolarHBondContact O-N 3.05Å; D305-H308 PolarHBondContact O-N 3.39Å; H308-S310 VanDerWaalsContact C-N 3.32Å; H308-S310 PolarHBondContact O-N 2.85Å; H308-A311 PolarHBondContact O-N 3.46Å; H308-L312 VanDerWaalsContact NE2-CD1 3.25Å; H308-L312 WeakPolarHBondContact NE2-CD1 3.28Å; H308-L312 WeakPolarHBondContact O-CG 3.34Å; H308-L312 PolarHBondContact O-N 3.41Å; H308-L312 VanDerWaalsContact O-N 3.11Å; H308-T401 PolarHBondContact CE1-O 3.43Å; H308-T401 PolarHBondContact NE2-O 3.08Å
309	V	98.3	Very high	98.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-36.2	-179.5	170.7	0	0	0	0	111.1	D305 L312 S313 P338 I397	D305-V309 VanDerWaalsContact O-CB 3.28Å; D305-V309 WeakPolarHBondContact O-CB 3.38Å; D305-V309 WeakPolarHBondContact O-CG2 3.21Å; D305-V309 PolarHBondContact O-N 2.81Å; V309-L312 PolarHBondContact O-N 2.67Å; V309-S313 WeakPolarHBondContact O-CB 3.27Å; V309-S313 PolarHBondContact O-N 2.74Å; V309-P338 HydrophobicContact CG1-CB 4.26Å; V309-P338 HydrophobicContact CG1-CG 4.12Å; V309-I397 HydrophobicContact CB-CG2 4.48Å; V309-I397 HydrophobicContact CG1-CB 4.24Å; V309-I397 HydrophobicContact CG1-CG2 4.14Å; V309-I397 HydrophobicContact CG2-CG2 4.27Å
310	S	98.5	Very high	98.3	Very high	38 Å²	38	51.5 Å²	51.5	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-46.7	173.4	-66.6	0	0	0	0	112.2	Y306 E307 H308 S313 K314 P338	Y306-S310 WeakPolarHBondContact CE1-OG 3.4Å; Y306-S310 WeakPolarHBondContact O-CB 3.13Å; Y306-S310 PolarHBondContact O-N 2.69Å; Y306-S310 PolarHBondContact O-OG 2.78Å; E307-S310 WeakPolarHBondContact O-CB 3.41Å; E307-S310 PolarHBondContact O-N 2.82Å; H308-S310 VanDerWaalsContact C-N 3.32Å; H308-S310 PolarHBondContact O-N 2.85Å; S310-S313 PolarHBondContact O-N 3.49Å; S310-K314 WeakPolarHBondContact O-CB 3.32Å; S310-K314 PolarHBondContact O-N 2.84Å; S310-P338 WeakPolarHBondContact OG-CG 3.24Å
311	A	98.7	Very high	98.3	Very high	62 Å²	62	49.3 Å²	49.3	51%	0.512	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-46	178.9	0	0	0	0	0	111.8	E307 H308 K314 R315	E307-A311 PolarHBondContact O-N 3.29Å; H308-A311 PolarHBondContact O-N 3.46Å; A311-K314 PolarHBondContact O-N 2.87Å; A311-R315 WeakPolarHBondContact O-CB 3.43Å; A311-R315 PolarHBondContact O-N 3.4Å
312	L	98.7	Very high	98.3	Very high	3 Å²	3	53 Å²	53	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-38.9	177.7	-67.4	-174.1	0	0	0	113	H308 V309 R315 L316 I397 T401 E403 V406	H308-L312 VanDerWaalsContact NE2-CD1 3.25Å; H308-L312 WeakPolarHBondContact NE2-CD1 3.28Å; H308-L312 WeakPolarHBondContact O-CG 3.34Å; H308-L312 PolarHBondContact O-N 3.41Å; H308-L312 VanDerWaalsContact O-N 3.11Å; V309-L312 PolarHBondContact O-N 2.67Å; L312-R315 WeakPolarHBondContact O-CB 3.46Å; L312-R315 PolarHBondContact O-N 3.49Å; L312-L316 WeakPolarHBondContact O-CB 3.31Å; L312-L316 PolarHBondContact O-N 3.46Å; L312-I397 HydrophobicContact CB-CD1 4.24Å; L312-I397 HydrophobicContact CB-CG2 3.82Å; L312-I397 HydrophobicContact CD1-CG2 3.8Å; L312-I397 HydrophobicContact CG-CG2 4.48Å; L312-T401 HydrophobicContact CD1-CG2 3.93Å; L312-T401 WeakPolarHBondContact CD1-O 3.43Å; L312-E403 HydrophobicContact CD2-CB 4.29Å; L312-E403 HydrophobicContact CD2-CG 3.57Å; L312-V406 HydrophobicContact CB-CG2 4.16Å; L312-V406 HydrophobicContact CD2-CG2 4.09Å
313	S	98.4	Very high	98.3	Very high	5 Å²	5	57.2 Å²	57.2	4%	0.035	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-46.1	175.9	-174.7	0	0	0	0	111.2	V309 S310 R315 L316 I317 P338 V341	V309-S313 WeakPolarHBondContact O-CB 3.27Å; V309-S313 PolarHBondContact O-N 2.74Å; S310-S313 PolarHBondContact O-N 3.49Å; S313-R315 PolarHBondContact O-N 2.69Å; S313-L316 PolarHBondContact O-N 2.94Å; S313-I317 WeakPolarHBondContact O-CB 3.15Å; S313-I317 VanDerWaalsContact O-CG1 3.29Å; S313-I317 WeakPolarHBondContact O-CG1 3.36Å; S313-I317 PolarHBondContact O-N 2.91Å; S313-P338 WeakPolarHBondContact CB-O 3.4Å; S313-P338 PolarHBondContact OG-O 2.77Å; S313-V341 VanDerWaalsContact OG-CG2 3.24Å; S313-V341 WeakPolarHBondContact OG-CG2 3.5Å
314	K	98.4	Very high	98.2	Very high	127 Å²	127	50.8 Å²	50.8	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-59.3	-46.8	174	-173.6	-178.4	-173	-56.9	0	111.3	S310 A311 L316 I317 D318	S310-K314 WeakPolarHBondContact O-CB 3.32Å; S310-K314 PolarHBondContact O-N 2.84Å; A311-K314 PolarHBondContact O-N 2.87Å; K314-L316 VanDerWaalsContact C-N 3.33Å; K314-L316 PolarHBondContact O-N 3.18Å; K314-I317 PolarHBondContact O-N 2.92Å; K314-D318 IonicContact NZ-OD2 3.6Å; K314-D318 PolarHBondContact NZ-OD2 3.33Å; K314-D318 WeakPolarHBondContact O-CB 3.26Å; K314-D318 PolarHBondContact O-N 3.09Å
315	R	98.6	Very high	98.1	Very high	97 Å²	97	53.8 Å²	53.8	37%	0.366	28%	0.278	S	S	.	.	H	α-helix	trans	-57.9	-44	177.2	-171.7	177.4	-171.8	103.9	12.2	112.1	A311 L312 S313 G319 E403 V406 D407	A311-R315 WeakPolarHBondContact O-CB 3.43Å; A311-R315 PolarHBondContact O-N 3.4Å; L312-R315 WeakPolarHBondContact O-CB 3.46Å; L312-R315 PolarHBondContact O-N 3.49Å; S313-R315 PolarHBondContact O-N 2.69Å; R315-G319 PolarHBondContact O-N 3.13Å; R315-E403 IonicContact CZ-OE2 3.88Å; R315-E403 IonicContact NH1-OE2 3.56Å; R315-E403 PolarHBondContact NH1-OE2 2.83Å; R315-V406 HydrophobicContact CB-CG1 4.2Å; R315-V406 HydrophobicContact CG-CG1 3.99Å; R315-D407 IonicContact CZ-OD1 3.83Å; R315-D407 VanDerWaalsContact CZ-OD1 3.3Å; R315-D407 IonicContact CZ-OD2 2.63Å; R315-D407 IonicContact NE-OD1 3.76Å; R315-D407 PolarHBondContact NE-OD1 3.09Å; R315-D407 IonicContact NE-OD2 3.22Å; R315-D407 PolarHBondContact NE-OD2 3.08Å; R315-D407 IonicContact NH2-OD1 2.91Å; R315-D407 PolarHBondContact NH2-OD1 3.31Å; R315-D407 IonicContact NH2-OD2 3.35Å; R315-D407 PolarHBondContact NH2-OD2 3.32Å
316	L	98.6	Very high	97.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-51.3	176.4	-178.3	69.3	0	0	0	111.4	L312 S313 K314 G319 I320 V341 F395 I397 V406 V410	L312-L316 WeakPolarHBondContact O-CB 3.31Å; L312-L316 PolarHBondContact O-N 3.46Å; S313-L316 PolarHBondContact O-N 2.94Å; K314-L316 VanDerWaalsContact C-N 3.33Å; K314-L316 PolarHBondContact O-N 3.18Å; L316-G319 PolarHBondContact O-N 3Å; L316-I320 HydrophobicContact CD1-CD1 3.96Å; L316-I320 HydrophobicContact CD1-CG1 4.45Å; L316-I320 HydrophobicContact CG-CD1 3.91Å; L316-I320 VanDerWaalsContact O-CG1 3.26Å; L316-I320 WeakPolarHBondContact O-CG1 3.41Å; L316-I320 PolarHBondContact O-N 3.48Å; L316-V341 HydrophobicContact CD2-CB 4.24Å; L316-V341 HydrophobicContact CD2-CG1 4.35Å; L316-V341 HydrophobicContact CD2-CG2 4.36Å; L316-F395 HydrophobicContact CD2-CB 3.6Å; L316-F395 HydrophobicContact CD2-CD1 4.25Å; L316-F395 HydrophobicContact CD2-CD2 4.42Å; L316-F395 HydrophobicContact CD2-CG 3.85Å; L316-I397 HydrophobicContact CB-CD1 4.44Å; L316-I397 HydrophobicContact CD2-CD1 4.02Å; L316-V406 HydrophobicContact CB-CG1 3.87Å; L316-V406 HydrophobicContact CD1-CG1 4.22Å; L316-V410 HydrophobicContact CD1-CG2 3.78Å
317	I	98.3	Very high	97.8	Very high	34 Å²	34	54.5 Å²	54.5	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-48.9	-178.5	-71.5	166.2	0	0	0	110.9	S313 K314 G319 I320 T321 L329 V341 F343	S313-I317 WeakPolarHBondContact O-CB 3.15Å; S313-I317 VanDerWaalsContact O-CG1 3.29Å; S313-I317 WeakPolarHBondContact O-CG1 3.36Å; S313-I317 PolarHBondContact O-N 2.91Å; K314-I317 PolarHBondContact O-N 2.92Å; I317-G319 VanDerWaalsContact C-N 3.33Å; I317-G319 PolarHBondContact O-N 2.86Å; I317-I320 PolarHBondContact O-N 3.24Å; I317-T321 HydrophobicContact CG2-CG2 4.41Å; I317-T321 WeakPolarHBondContact O-CB 3.5Å; I317-T321 WeakPolarHBondContact O-CG2 3.35Å; I317-T321 PolarHBondContact O-N 3Å; I317-T321 PolarHBondContact O-OG1 3.49Å; I317-L329 HydrophobicContact CD1-CD2 4.47Å; I317-V341 HydrophobicContact CD1-CG1 4.36Å; I317-V341 HydrophobicContact CD1-CG2 4.27Å; I317-V341 HydrophobicContact CG1-CG1 3.91Å; I317-V341 HydrophobicContact CG1-CG2 4.4Å; I317-F343 HydrophobicContact CG1-CE2 3.99Å; I317-F343 HydrophobicContact CG1-CZ 4.34Å; I317-F343 HydrophobicContact CG2-CZ 4.24Å
318	D	98.3	Very high	97.7	Very high	71 Å²	71	52.8 Å²	52.8	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-41.3	178.6	-67.8	-12.3	0	0	0	110.9	K314 I320 T321 S322	K314-D318 IonicContact NZ-OD2 3.6Å; K314-D318 PolarHBondContact NZ-OD2 3.33Å; K314-D318 WeakPolarHBondContact O-CB 3.26Å; K314-D318 PolarHBondContact O-N 3.09Å; D318-I320 PolarHBondContact O-N 2.98Å; D318-T321 PolarHBondContact O-OG1 3.01Å; D318-S322 WeakPolarHBondContact O-CB 3.43Å; D318-S322 PolarHBondContact O-N 2.85Å; D318-S322 PolarHBondContact O-OG 2.86Å
319	G	98.5	Very high	97.6	Very high	14 Å²	14	53 Å²	53	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-40.3	177.4	0	0	0	0	0	113.2	R315 L316 I317 S322 K323 V410	R315-G319 PolarHBondContact O-N 3.13Å; L316-G319 PolarHBondContact O-N 3Å; I317-G319 VanDerWaalsContact C-N 3.33Å; I317-G319 PolarHBondContact O-N 2.86Å; G319-S322 PolarHBondContact O-OG 3.21Å; G319-K323 WeakPolarHBondContact O-CG 3.36Å; G319-V410 WeakPolarHBondContact O-CG1 3.32Å
320	I	98.2	Very high	97.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.5	-55.4	176.4	-70	172.4	0	0	0	110.4	L316 I317 D318 S322 K323 I324 V327 F343 F345 F395 L413	L316-I320 HydrophobicContact CD1-CD1 3.96Å; L316-I320 HydrophobicContact CD1-CG1 4.45Å; L316-I320 HydrophobicContact CG-CD1 3.91Å; L316-I320 VanDerWaalsContact O-CG1 3.26Å; L316-I320 WeakPolarHBondContact O-CG1 3.41Å; L316-I320 PolarHBondContact O-N 3.48Å; I317-I320 PolarHBondContact O-N 3.24Å; D318-I320 PolarHBondContact O-N 2.98Å; I320-S322 VanDerWaalsContact C-N 3.3Å; I320-S322 PolarHBondContact O-N 3.39Å; I320-K323 PolarHBondContact O-N 2.92Å; I320-I324 HydrophobicContact CG2-CD1 4.43Å; I320-I324 WeakPolarHBondContact O-CB 3.49Å; I320-I324 PolarHBondContact O-N 3.24Å; I320-V327 HydrophobicContact CG2-CB 4.46Å; I320-V327 HydrophobicContact CG2-CG1 4.39Å; I320-V327 HydrophobicContact CG2-CG2 4.13Å; I320-F343 HydrophobicContact CD1-CD2 3.88Å; I320-F343 HydrophobicContact CD1-CE2 4.01Å; I320-F343 HydrophobicContact CG2-CD1 4.4Å; I320-F343 HydrophobicContact CG2-CD2 4.4Å; I320-F343 HydrophobicContact CG2-CE1 4.34Å; I320-F343 HydrophobicContact CG2-CE2 4.33Å; I320-F343 HydrophobicContact CG2-CG 4.44Å; I320-F343 HydrophobicContact CG2-CZ 4.31Å; I320-F345 HydrophobicContact CG2-CE1 4.15Å; I320-F395 HydrophobicContact CD1-CE2 4.29Å; I320-F395 HydrophobicContact CD1-CZ 4.4Å; I320-L413 HydrophobicContact CD1-CD2 3.74Å; I320-L413 HydrophobicContact CG1-CD2 3.69Å
321	T	97.8	Very high	97.5	Very high	71 Å²	71	51.9 Å²	51.9	44%	0.436	28%	0.278	S	S	.	.	H	α-helix	trans	-68.8	-26.6	-171.3	53.7	0	0	0	0	113.4	I317 D318 V327 F343	I317-T321 HydrophobicContact CG2-CG2 4.41Å; I317-T321 WeakPolarHBondContact O-CB 3.5Å; I317-T321 WeakPolarHBondContact O-CG2 3.35Å; I317-T321 PolarHBondContact O-N 3Å; I317-T321 PolarHBondContact O-OG1 3.49Å; D318-T321 PolarHBondContact O-OG1 3.01Å; T321-V327 HydrophobicContact CG2-CG2 4.24Å; T321-F343 HydrophobicContact CG2-CE1 4.01Å; T321-F343 HydrophobicContact CG2-CZ 3.92Å
322	S	97.8	Very high	97.4	Very high	91 Å²	91	50 Å²	50	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-78.7	-21.8	175.8	60.5	0	0	0	0	114.4	D318 G319 I320	D318-S322 WeakPolarHBondContact O-CB 3.43Å; D318-S322 PolarHBondContact O-N 2.85Å; D318-S322 PolarHBondContact O-OG 2.86Å; G319-S322 PolarHBondContact O-OG 3.21Å; I320-S322 VanDerWaalsContact C-N 3.3Å; I320-S322 PolarHBondContact O-N 3.39Å
323	K	97.4	Very high	97.3	Very high	126 Å²	126	54.1 Å²	54.1	55%	0.548	29%	0.287	S	S	.	.	H	α-helix	trans	-112.8	-25.3	-172.9	-66.8	179.1	-178.5	176.4	0	114	G319 I320 V410 T414	G319-K323 WeakPolarHBondContact O-CG 3.36Å; I320-K323 PolarHBondContact O-N 2.92Å; K323-V410 HydrophobicContact CD-CG1 4.09Å; K323-T414 HydrophobicContact CB-CG2 3.93Å; K323-T414 HydrophobicContact CD-CG2 4.44Å
324	I	97.3	Very high	97.2	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.041	32%	0.322	C	S	.	.			trans	-119.7	115.6	-172.2	-49.1	179.9	0	0	0	109	I320 V327 F345 L413 T414 V417	I320-I324 HydrophobicContact CG2-CD1 4.43Å; I320-I324 WeakPolarHBondContact O-CB 3.49Å; I320-I324 PolarHBondContact O-N 3.24Å; I324-V327 HydrophobicContact CB-CG1 3.9Å; I324-V327 HydrophobicContact CG2-CG1 3.48Å; I324-V327 VanDerWaalsContact CG2-CG1 3.48Å; I324-V327 WeakPolarHBondContact O-CG2 3.44Å; I324-F345 HydrophobicContact CD1-CE1 4.14Å; I324-F345 HydrophobicContact CG2-CD1 4.32Å; I324-L413 HydrophobicContact CD1-CD2 4.06Å; I324-L413 HydrophobicContact CD1-CG 3.85Å; I324-T414 HydrophobicContact CG1-CG2 4.32Å; I324-V417 HydrophobicContact CD1-CB 4.42Å; I324-V417 HydrophobicContact CD1-CG2 4.32Å; I324-V417 HydrophobicContact CG2-CB 4.33Å; I324-V417 HydrophobicContact CG2-CG1 3.56Å
325	Q	94.9	Very high	97.1	Very high	132 Å²	132	58.3 Å²	58.3	62%	0.617	31%	0.311	S	S	*	.	S	Bend	trans	-74.6	161.8	176	-62.1	-179.6	-3.2	0	0	111.4	V327 R421 W427	Q325-V327 VanDerWaalsContact C-N 3.35Å; Q325-V327 PolarHBondContact O-N 3.03Å; Q325-R421 PolarHBondContact O-NH1 3.02Å; Q325-R421 PolarHBondContact O-NH2 3.18Å; Q325-W427 HydrophobicContact CB-CH2 4.48Å
326	H	94.7	Very high	97	Very high	87 Å²	87	54.3 Å²	54.3	40%	0.403	30%	0.296	S	S	.	.	S	Bend	trans	51.5	50	176.7	-54.6	-93.5	0	0	0	113.6	A346 Y347 R421 W427	H326-A346 HydrophobicContact CB-CB 3.85Å; H326-A346 WeakPolarHBondContact O-CB 3.43Å; H326-A346 PolarHBondContact O-N 3.36Å; H326-A346 VanDerWaalsContact O-N 3.08Å; H326-Y347 HydrophobicContact CB-CD2 4.28Å; H326-Y347 HydrophobicContact CB-CE2 3.75Å; H326-Y347 AromaticContact CG-CE2 3.63Å; H326-Y347 AromaticContact ND1-CE2 3.78Å; H326-R421 PolarHBondContact O-NH2 3.02Å; H326-W427 AromaticContact CD2-CH2 3.75Å; H326-W427 AromaticContact CD2-CZ3 3.52Å
327	V	95.9	Very high	97	Very high	28 Å²	28	54.8 Å²	54.8	17%	0.17	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.8	172.2	-63.3	0	0	0	0	109.6	I320 T321 I324 Q325 F343 S344 F345	I320-V327 HydrophobicContact CG2-CB 4.46Å; I320-V327 HydrophobicContact CG2-CG1 4.39Å; I320-V327 HydrophobicContact CG2-CG2 4.13Å; T321-V327 HydrophobicContact CG2-CG2 4.24Å; I324-V327 HydrophobicContact CB-CG1 3.9Å; I324-V327 HydrophobicContact CG2-CG1 3.48Å; I324-V327 VanDerWaalsContact CG2-CG1 3.48Å; I324-V327 WeakPolarHBondContact O-CG2 3.44Å; Q325-V327 VanDerWaalsContact C-N 3.35Å; Q325-V327 PolarHBondContact O-N 3.03Å; V327-F343 HydrophobicContact CB-CD1 4.04Å; V327-F343 HydrophobicContact CB-CE1 4.41Å; V327-F343 HydrophobicContact CG2-CD1 4.35Å; V327-F343 HydrophobicContact CG2-CE1 4.21Å; V327-S344 WeakPolarHBondContact CA-O 3.48Å; V327-F345 HydrophobicContact CG1-CD1 3.51Å; V327-F345 HydrophobicContact CG1-CE1 3.8Å; V327-F345 HydrophobicContact CG1-CG 4.42Å
328	T	95.8	Very high	97	Very high	74 Å²	74	53.7 Å²	53.7	45%	0.454	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.1	-179.3	-59.2	0	0	0	0	109.5	N330 F343 S344	T328-N330 PolarHBondContact O-N 3.22Å; T328-F343 VanDerWaalsContact C-CD1 3.42Å; T328-F343 CarbonylContact O-C 3.53Å; T328-F343 VanDerWaalsContact O-CA 3.27Å; T328-F343 WeakPolarHBondContact O-CA 3.48Å; T328-F343 VanDerWaalsContact O-CD1 3.31Å; T328-F343 WeakPolarHBondContact O-CD1 3.4Å; T328-S344 PolarHBondContact N-O 3.48Å; T328-S344 PolarHBondContact O-N 2.96Å
329	L	96.8	Very high	97	Very high	43 Å²	43	50.3 Å²	50.3	23%	0.225	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	118.4	170.4	179.7	61.3	0	0	0	108.6	I317 P333 V341 N342 F343	I317-L329 HydrophobicContact CD1-CD2 4.47Å; L329-P333 HydrophobicContact CD2-CB 4.14Å; L329-V341 HydrophobicContact CD1-CG1 4.01Å; L329-N342 WeakPolarHBondContact CD1-O 3.39Å; L329-F343 HydrophobicContact CB-CD1 4.25Å; L329-F343 HydrophobicContact CB-CE1 3.71Å; L329-F343 HydrophobicContact CB-CZ 3.94Å; L329-F343 HydrophobicContact CD1-CD2 4.23Å; L329-F343 HydrophobicContact CD1-CE1 4.41Å; L329-F343 HydrophobicContact CD1-CE2 3.89Å; L329-F343 HydrophobicContact CD1-CZ 3.98Å; L329-F343 HydrophobicContact CG-CZ 4.44Å
330	N	97	Very high	97	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.032	27%	0.268	C	S	.	.			trans	-82.4	134.9	177.8	-64.6	-50.1	0	0	0	110.7	I196 T328 R336 N342 S344 L379 I382	I196-N330 HydrophobicContact CG2-CB 3.9Å; T328-N330 PolarHBondContact O-N 3.22Å; N330-R336 PolarHBondContact O-NH1 3.47Å; N330-N342 HydrophobicContact CB-CB 4.18Å; N330-N342 PolarHBondContact N-O 3.1Å; N330-N342 PolarHBondContact ND2-OD1 3.2Å; N330-S344 PolarHBondContact ND2-N 3.41Å; N330-S344 PolarHBondContact ND2-OG 3.39Å; N330-S344 PolarHBondContact OD1-OG 2.85Å; N330-L379 HydrophobicContact CB-CD2 3.82Å; N330-I382 HydrophobicContact CB-CD1 4.23Å
331	G	96.9	Very high	97	Very high	10 Å²	10	49.7 Å²	49.7	10%	0.103	27%	0.268	C	S	.	.	S	Bend	trans	86.1	176.8	-175.2	0	0	0	0	0	113.9	N168 V198	N168-G331 CarbonylContact O-C 3.53Å; N168-G331 VanDerWaalsContact O-CA 3.3Å; N168-G331 WeakPolarHBondContact O-CA 3.2Å; V198-G331 VanDerWaalsContact CG2-CA 3.49Å
332	D	98	Very high	97	Very high	24 Å²	24	46.3 Å²	46.3	13%	0.128	25%	0.248	C	C	.	.			trans	-65.9	132.8	179.4	-160.3	-82.9	0	0	0	111.6	N168 I170 I334 Q335 R336	N168-D332 HydrophobicContact CB-CB 3.98Å; N168-D332 PolarHBondContact ND2-OD2 3.45Å; N168-D332 PolarHBondContact O-N 2.88Å; I170-D332 HydrophobicContact CD1-CB 4.03Å; I170-D332 HydrophobicContact CG1-CB 4.42Å; D332-I334 VanDerWaalsContact C-N 3.31Å; D332-I334 WeakPolarHBondContact OD1-CA 3.5Å; D332-I334 PolarHBondContact OD1-N 2.91Å; D332-Q335 HydrophobicContact CB-CB 4.31Å; D332-Q335 PolarHBondContact OD1-N 3.21Å; D332-R336 WeakPolarHBondContact O-CD 3.15Å; D332-R336 PolarHBondContact O-NH1 3.34Å
333	P	95.8	Very high	96.9	Very high	89 Å²	89	42.1 Å²	42.1	58%	0.578	22%	0.218	S	C	*	.	S	Bend	trans	-74.2	-20.6	179.1	28	-33.4	0	0	0	113.3	L329	L329-P333 HydrophobicContact CD2-CB 4.14Å
334	I	95.7	Very high	96.8	Very high	153 Å²	153	36.1 Å²	36.1	79%	0.785	19%	0.192	S	C	*	.	S	Bend	trans	-105.2	-53.7	-175.4	-59.1	173.2	0	0	0	109.9	D332 R336	D332-I334 VanDerWaalsContact C-N 3.31Å; D332-I334 WeakPolarHBondContact OD1-CA 3.5Å; D332-I334 PolarHBondContact OD1-N 2.91Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 2.86Å
335	Q	96.7	Very high	96.7	Very high	67 Å²	67	35.7 Å²	35.7	31%	0.313	19%	0.19	S	C	.	.	S	Bend	trans	-86.1	65.9	-175.7	-159.1	172.1	11.6	0	0	111.7	I170 L199 D332	I170-Q335 HydrophobicContact CD1-CB 4.05Å; L199-Q335 HydrophobicContact CB-CG 4.28Å; L199-Q335 PolarHBondContact N-O 3.25Å; L199-Q335 WeakPolarHBondContact O-CG 3.3Å; D332-Q335 HydrophobicContact CB-CB 4.31Å; D332-Q335 PolarHBondContact OD1-N 3.21Å
336	R	97.5	Very high	96.6	Very high	13 Å²	13	29.9 Å²	29.9	5%	0.049	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-140.8	160.5	-179.3	72.9	-176.8	-52	133.9	-0.8	112.9	I196 G197 N330 D332 I334 C340	I196-R336 PolarHBondContact O-NH2 2.74Å; G197-R336 CarbonylContact O-C 3.3Å; G197-R336 VanDerWaalsContact O-CA 3.27Å; G197-R336 WeakPolarHBondContact O-CA 3.41Å; G197-R336 WeakPolarHBondContact O-CB 3.12Å; N330-R336 PolarHBondContact O-NH1 3.47Å; D332-R336 WeakPolarHBondContact O-CD 3.15Å; D332-R336 PolarHBondContact O-NH1 3.34Å; I334-R336 VanDerWaalsContact C-N 3.27Å; I334-R336 PolarHBondContact O-N 2.86Å; R336-C340 PolarHBondContact NE-O 3.11Å; R336-C340 PolarHBondContact NH2-O 2.56Å
337	Y	98.5	Very high	96.5	Very high	10 Å²	10	28.1 Å²	28.1	4%	0.039	15%	0.154	C	C	.	.			trans	-76.6	122.2	159	175.1	-113	0	0	0	109.4	G197 K226 V227 Y306 G339 C340	G197-Y337 PolarHBondContact O-N 2.74Å; K226-Y337 HydrophobicContact CB-CD2 4.13Å; K226-Y337 HydrophobicContact CB-CE2 3.71Å; K226-Y337 HydrophobicContact CD-CE1 3.9Å; K226-Y337 HydrophobicContact CD-CE2 4.02Å; K226-Y337 HydrophobicContact CG-CE2 4.18Å; V227-Y337 HydrophobicContact CG1-CD2 4.22Å; Y306-Y337 HydrophobicContact CD2-CD2 4.46Å; Y306-Y337 HydrophobicContact CD2-CE2 4.37Å; Y306-Y337 HydrophobicContact CE2-CD2 4.23Å; Y337-G339 PolarHBondContact O-N 2.84Å; Y337-C340 HydrophobicContact CD1-CB 4.16Å; Y337-C340 PolarHBondContact O-N 3.2Å
338	P	98.3	Very high	96.3	Very high	11 Å²	11	27.3 Å²	27.3	7%	0.071	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.1	-174.1	23.5	-35.2	0	0	0	113.3	Y306 V309 S310 S313 C340	Y306-P338 HydrophobicContact CD2-CG 4.29Å; Y306-P338 HydrophobicContact CE1-CG 4.24Å; Y306-P338 HydrophobicContact CE2-CG 3.88Å; V309-P338 HydrophobicContact CG1-CB 4.26Å; V309-P338 HydrophobicContact CG1-CG 4.12Å; S310-P338 WeakPolarHBondContact OG-CG 3.24Å; S313-P338 WeakPolarHBondContact CB-O 3.4Å; S313-P338 PolarHBondContact OG-O 2.77Å; P338-C340 PolarHBondContact O-N 3.28Å
339	G	98.2	Very high	95.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.8	-177.4	0	0	0	0	0	115.2	Q51 Y337 G396 I397	Q51-G339 PolarHBondContact NE2-O 3.37Å; Q51-G339 PolarHBondContact OE1-O 2.74Å; Y337-G339 PolarHBondContact O-N 2.84Å; G339-G396 WeakPolarHBondContact O-CA 3.31Å; G339-I397 PolarHBondContact O-N 3.32Å
340	C	98.2	Very high	95.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	102	171.3	-176.2	0	0	0	0	107.7	Q51 G197 R336 Y337 P338	Q51-C340 HydrophobicContact CG-CB 4.1Å; G197-C340 PolarHBondContact N-SG 3.47Å; G197-C340 VanDerWaalsContact N-SG 3.44Å; R336-C340 PolarHBondContact NE-O 3.11Å; R336-C340 PolarHBondContact NH2-O 2.56Å; Y337-C340 HydrophobicContact CD1-CB 4.16Å; Y337-C340 PolarHBondContact O-N 3.2Å; P338-C340 PolarHBondContact O-N 3.28Å
341	V	97.9	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.2	179	-179.5	0	0	0	0	108.2	S313 L316 I317 L329 F343 R394 F395	S313-V341 VanDerWaalsContact OG-CG2 3.24Å; S313-V341 WeakPolarHBondContact OG-CG2 3.5Å; L316-V341 HydrophobicContact CD2-CB 4.24Å; L316-V341 HydrophobicContact CD2-CG1 4.35Å; L316-V341 HydrophobicContact CD2-CG2 4.36Å; I317-V341 HydrophobicContact CD1-CG1 4.36Å; I317-V341 HydrophobicContact CD1-CG2 4.27Å; I317-V341 HydrophobicContact CG1-CG1 3.91Å; I317-V341 HydrophobicContact CG1-CG2 4.4Å; L329-V341 HydrophobicContact CD1-CG1 4.01Å; V341-F343 HydrophobicContact CG1-CD2 3.67Å; V341-F343 HydrophobicContact CG1-CE2 3.61Å; V341-R394 CarbonylContact O-C 3.59Å; V341-R394 WeakPolarHBondContact O-CA 3.4Å; V341-F395 HydrophobicContact CB-CB 4.33Å; V341-F395 PolarHBondContact N-O 2.93Å; V341-F395 PolarHBondContact O-N 2.99Å
342	N	97.3	Very high	94	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.8	-178.8	-171.3	-52.2	0	0	0	109.6	E195 I196 L329 N330 I393	E195-N342 WeakPolarHBondContact O-CB 3.49Å; E195-N342 PolarHBondContact O-ND2 3.37Å; I196-N342 HydrophobicContact CG2-CB 4.24Å; L329-N342 WeakPolarHBondContact CD1-O 3.39Å; N330-N342 HydrophobicContact CB-CB 4.18Å; N330-N342 PolarHBondContact N-O 3.1Å; N330-N342 PolarHBondContact ND2-OD1 3.2Å; N342-I393 WeakPolarHBondContact CA-O 3.43Å
343	F	96.3	Very high	93.7	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137	179.8	-88.9	-81	0	0	0	111.2	I317 I320 T321 V327 T328 L329 V341 F345 S392 I393	I317-F343 HydrophobicContact CG1-CE2 3.99Å; I317-F343 HydrophobicContact CG1-CZ 4.34Å; I317-F343 HydrophobicContact CG2-CZ 4.24Å; I320-F343 HydrophobicContact CD1-CD2 3.88Å; I320-F343 HydrophobicContact CD1-CE2 4.01Å; I320-F343 HydrophobicContact CG2-CD1 4.4Å; I320-F343 HydrophobicContact CG2-CD2 4.4Å; I320-F343 HydrophobicContact CG2-CE1 4.34Å; I320-F343 HydrophobicContact CG2-CE2 4.33Å; I320-F343 HydrophobicContact CG2-CG 4.44Å; I320-F343 HydrophobicContact CG2-CZ 4.31Å; T321-F343 HydrophobicContact CG2-CE1 4.01Å; T321-F343 HydrophobicContact CG2-CZ 3.92Å; V327-F343 HydrophobicContact CB-CD1 4.04Å; V327-F343 HydrophobicContact CB-CE1 4.41Å; V327-F343 HydrophobicContact CG2-CD1 4.35Å; V327-F343 HydrophobicContact CG2-CE1 4.21Å; T328-F343 VanDerWaalsContact C-CD1 3.42Å; T328-F343 CarbonylContact O-C 3.53Å; T328-F343 VanDerWaalsContact O-CA 3.27Å; T328-F343 WeakPolarHBondContact O-CA 3.48Å; T328-F343 VanDerWaalsContact O-CD1 3.31Å; T328-F343 WeakPolarHBondContact O-CD1 3.4Å; L329-F343 HydrophobicContact CB-CD1 4.25Å; L329-F343 HydrophobicContact CB-CE1 3.71Å; L329-F343 HydrophobicContact CB-CZ 3.94Å; L329-F343 HydrophobicContact CD1-CD2 4.23Å; L329-F343 HydrophobicContact CD1-CE1 4.41Å; L329-F343 HydrophobicContact CD1-CE2 3.89Å; L329-F343 HydrophobicContact CD1-CZ 3.98Å; L329-F343 HydrophobicContact CG-CZ 4.44Å; V341-F343 HydrophobicContact CG1-CD2 3.67Å; V341-F343 HydrophobicContact CG1-CE2 3.61Å; F343-F345 HydrophobicContact CB-CD2 4.42Å; F343-F345 HydrophobicContact CB-CE2 3.63Å; F343-F345 HydrophobicContact CB-CZ 3.68Å; F343-F345 HydrophobicContact CG-CZ 4.48Å; F343-F345 WeakPolarHBondContact O-CE2 3.47Å; F343-S392 CarbonylContact O-C 3.5Å; F343-S392 VanDerWaalsContact O-CA 3.25Å; F343-S392 WeakPolarHBondContact O-CA 3.37Å; F343-I393 PolarHBondContact N-O 3.21Å; F343-I393 PolarHBondContact O-N 3.35Å
344	S	95.2	Very high	93.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.5	161.6	-54.4	0	0	0	0	110.1	V327 T328 N330 L388 S392	V327-S344 WeakPolarHBondContact CA-O 3.48Å; T328-S344 PolarHBondContact N-O 3.48Å; T328-S344 PolarHBondContact O-N 2.96Å; N330-S344 PolarHBondContact ND2-N 3.41Å; N330-S344 PolarHBondContact ND2-OG 3.39Å; N330-S344 PolarHBondContact OD1-OG 2.85Å; S344-L388 PolarHBondContact OG-O 3.28Å; S344-S392 WeakPolarHBondContact CB-OG 3.29Å; S344-S392 PolarHBondContact OG-OG 3.32Å
345	F	95	Very high	93.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	99.4	178.8	-61.9	-91.8	0	0	0	109.5	I320 I324 V327 F343 L353 S391 I393 F395 L413 V417	I320-F345 HydrophobicContact CG2-CE1 4.15Å; I324-F345 HydrophobicContact CD1-CE1 4.14Å; I324-F345 HydrophobicContact CG2-CD1 4.32Å; V327-F345 HydrophobicContact CG1-CD1 3.51Å; V327-F345 HydrophobicContact CG1-CE1 3.8Å; V327-F345 HydrophobicContact CG1-CG 4.42Å; F343-F345 HydrophobicContact CB-CD2 4.42Å; F343-F345 HydrophobicContact CB-CE2 3.63Å; F343-F345 HydrophobicContact CB-CZ 3.68Å; F343-F345 HydrophobicContact CG-CZ 4.48Å; F343-F345 WeakPolarHBondContact O-CE2 3.47Å; F345-L353 HydrophobicContact CB-CD2 4.43Å; F345-L353 HydrophobicContact CD2-CD2 3.89Å; F345-L353 HydrophobicContact CE2-CD2 4.39Å; F345-L353 HydrophobicContact CG-CD2 4.1Å; F345-S391 PolarHBondContact N-O 2.96Å; F345-S391 WeakPolarHBondContact O-CB 3.49Å; F345-S391 PolarHBondContact O-OG 3.46Å; F345-S391 VanDerWaalsContact O-OG 3.09Å; F345-I393 HydrophobicContact CD2-CG1 4.1Å; F345-I393 HydrophobicContact CE2-CB 4Å; F345-I393 HydrophobicContact CE2-CG1 3.91Å; F345-F395 HydrophobicContact CE2-CE2 4.29Å; F345-F395 HydrophobicContact CE2-CZ 4.42Å; F345-F395 HydrophobicContact CZ-CE2 4.21Å; F345-F395 HydrophobicContact CZ-CZ 4.2Å; F345-L413 HydrophobicContact CE1-CD1 4.11Å; F345-L413 HydrophobicContact CE1-CD2 3.92Å; F345-L413 HydrophobicContact CE1-CG 4.22Å; F345-L413 HydrophobicContact CE2-CD1 4.5Å; F345-L413 HydrophobicContact CZ-CD1 3.96Å; F345-L413 HydrophobicContact CZ-CD2 3.76Å; F345-L413 HydrophobicContact CZ-CG 4.3Å; F345-V417 HydrophobicContact CD1-CG2 3.9Å; F345-V417 HydrophobicContact CE1-CG2 4.35Å; F345-V417 HydrophobicContact CG-CG2 4.43Å
346	A	93.2	Very high	92.9	Very high	10 Å²	10	28.1 Å²	28.1	8%	0.083	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	146.9	-178.1	0	0	0	0	0	111.5	H326 V348 L388 R421	H326-A346 HydrophobicContact CB-CB 3.85Å; H326-A346 WeakPolarHBondContact O-CB 3.43Å; H326-A346 PolarHBondContact O-N 3.36Å; H326-A346 VanDerWaalsContact O-N 3.08Å; A346-V348 PolarHBondContact O-N 3.39Å; A346-L388 HydrophobicContact CB-CD2 3.77Å; A346-R421 PolarHBondContact O-NE 3.35Å; A346-R421 VanDerWaalsContact O-NE 3.1Å; A346-R421 PolarHBondContact O-NH2 3.04Å
347	Y	92.5	Very high	92.7	Very high	50 Å²	50	27.6 Å²	27.6	20%	0.196	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	18	174.1	-34.1	-61	0	0	0	115	H326 S424 L426 W427 V430 I436	H326-Y347 HydrophobicContact CB-CD2 4.28Å; H326-Y347 HydrophobicContact CB-CE2 3.75Å; H326-Y347 AromaticContact CG-CE2 3.63Å; H326-Y347 AromaticContact ND1-CE2 3.78Å; Y347-S424 VanDerWaalsContact O-CB 3.29Å; Y347-S424 WeakPolarHBondContact O-CB 3.35Å; Y347-S424 PolarHBondContact O-OG 3.21Å; Y347-L426 HydrophobicContact CD1-CB 4.11Å; Y347-W427 AromaticContact CD2-CE3 3.26Å; Y347-W427 HydrophobicContact CD2-CE3 3.26Å; Y347-W427 AromaticContact CD2-CZ3 3.51Å; Y347-W427 HydrophobicContact CD2-CZ3 3.51Å; Y347-W427 AromaticContact CE2-CE3 3.95Å; Y347-W427 HydrophobicContact CE2-CE3 3.95Å; Y347-W427 AromaticContact CE2-CZ3 3.86Å; Y347-W427 HydrophobicContact CE2-CZ3 3.86Å; Y347-W427 AromaticContact CG-CE3 3.91Å; Y347-W427 HydrophobicContact CG-CE3 3.91Å; Y347-V430 HydrophobicContact CD1-CG2 4.39Å; Y347-V430 HydrophobicContact CE1-CG2 3.83Å; Y347-V430 HydrophobicContact CE2-CG1 4.24Å; Y347-V430 HydrophobicContact CE2-CG2 4.38Å; Y347-I436 HydrophobicContact CD1-CD1 3.8Å; Y347-I436 HydrophobicContact CE1-CD1 3.21Å
348	V	90.8	Very high	92.3	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	17%	0.174	C	C	.	.	S	Bend	trans	-127	138.9	174.6	-179	0	0	0	0	108.6	A346 L353 S391 V417 L420 R421	A346-V348 PolarHBondContact O-N 3.39Å; V348-L353 HydrophobicContact CG1-CB 3.94Å; V348-L353 HydrophobicContact CG1-CD2 4.34Å; V348-S391 WeakPolarHBondContact O-CB 3.34Å; V348-V417 HydrophobicContact CG2-CG1 4.11Å; V348-L420 HydrophobicContact CG1-CB 3.89Å; V348-L420 HydrophobicContact CG1-CD1 3.63Å; V348-L420 HydrophobicContact CG1-CG 4.39Å; V348-L420 HydrophobicContact CG2-CB 4.37Å; V348-R421 HydrophobicContact CG2-CG 3.64Å
349	E	84.4	Confident	92.1	Very high	121 Å²	121	36.8 Å²	36.8	57%	0.565	18%	0.184	S	C	*	.			trans	-79.8	127.5	171	-173.2	-166.4	-153.8	0	0	110.3	E351 S352 L353	E349-E351 PolarHBondContact O-N 3.37Å; E349-S352 PolarHBondContact O-N 3.12Å; E349-S352 PolarHBondContact OE2-OG 3.42Å; E349-L353 PolarHBondContact O-N 3.12Å
350	G	83.1	Confident	91.9	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-35.6	-172.5	0	0	0	0	0	114.9	L353 L354 H390	G350-L353 PolarHBondContact O-N 3.03Å; G350-L354 PolarHBondContact O-N 3.5Å; G350-H390 VanDerWaalsContact CA-O 3.28Å; G350-H390 WeakPolarHBondContact CA-O 3.25Å; G350-H390 PolarHBondContact N-O 2.64Å
351	E	82.3	Confident	91.8	Very high	98 Å²	98	38.6 Å²	38.6	46%	0.458	20%	0.199	S	C	.	.	H	α-helix	trans	-64.7	-46.7	175.5	-69.6	-165	166.8	0	0	111.1	E349 L353 L354 M355	E349-E351 PolarHBondContact O-N 3.37Å; E351-L353 VanDerWaalsContact C-N 3.27Å; E351-L353 PolarHBondContact O-N 3.3Å; E351-L354 PolarHBondContact O-N 2.91Å; E351-M355 WeakPolarHBondContact O-CB 3.42Å; E351-M355 VanDerWaalsContact O-CG 3.3Å; E351-M355 WeakPolarHBondContact O-CG 3.36Å; E351-M355 PolarHBondContact O-N 3.06Å
352	S	89.6	Confident	91.5	Very high	41 Å²	41	39.8 Å²	39.8	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-57.2	-40.2	173.7	-74.5	0	0	0	0	112.1	E349 M355 A356	E349-S352 PolarHBondContact O-N 3.12Å; E349-S352 PolarHBondContact OE2-OG 3.42Å; S352-M355 PolarHBondContact O-N 3.43Å; S352-A356 WeakPolarHBondContact O-CB 3.37Å; S352-A356 PolarHBondContact O-N 2.94Å
353	L	91.6	Very high	91	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-44.1	176.2	-176.6	58.1	0	0	0	112.7	F345 V348 E349 G350 E351 M355 A356 L357 I393 L413 H416 V417 L420	F345-L353 HydrophobicContact CB-CD2 4.43Å; F345-L353 HydrophobicContact CD2-CD2 3.89Å; F345-L353 HydrophobicContact CE2-CD2 4.39Å; F345-L353 HydrophobicContact CG-CD2 4.1Å; V348-L353 HydrophobicContact CG1-CB 3.94Å; V348-L353 HydrophobicContact CG1-CD2 4.34Å; E349-L353 PolarHBondContact O-N 3.12Å; G350-L353 PolarHBondContact O-N 3.03Å; E351-L353 VanDerWaalsContact C-N 3.27Å; E351-L353 PolarHBondContact O-N 3.3Å; L353-M355 VanDerWaalsContact C-N 3.35Å; L353-M355 PolarHBondContact O-N 2.7Å; L353-A356 PolarHBondContact O-N 3.44Å; L353-L357 HydrophobicContact CD1-CD1 3.98Å; L353-L357 HydrophobicContact CD1-CG 4.31Å; L353-L357 HydrophobicContact CG-CD1 3.94Å; L353-L357 WeakPolarHBondContact O-CB 2.98Å; L353-L357 WeakPolarHBondContact O-CG 3.41Å; L353-L357 PolarHBondContact O-N 2.95Å; L353-I393 HydrophobicContact CD2-CD1 4.37Å; L353-I393 HydrophobicContact CD2-CG1 3.9Å; L353-L413 HydrophobicContact CD1-CD1 4.21Å; L353-L413 HydrophobicContact CD2-CD1 4.18Å; L353-H416 HydrophobicContact CD1-CB 4.21Å; L353-V417 HydrophobicContact CD1-CG2 3.78Å; L353-V417 HydrophobicContact CD2-CG2 4.06Å; L353-L420 HydrophobicContact CB-CD1 3.99Å; L353-L420 HydrophobicContact CD1-CD1 4.02Å
354	L	89.2	Confident	90.3	Very high	45 Å²	45	40.7 Å²	40.7	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-43.1	175.1	-79.2	173.8	0	0	0	111.9	G350 E351 A356 L357 L362 I393	G350-L354 PolarHBondContact O-N 3.5Å; E351-L354 PolarHBondContact O-N 2.91Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 2.93Å; L354-L357 PolarHBondContact O-N 3.46Å; L354-L362 HydrophobicContact CD2-CB 3.82Å; L354-I393 HydrophobicContact CD1-CD1 4.41Å; L354-I393 HydrophobicContact CD2-CD1 3.77Å; L354-I393 HydrophobicContact CG-CD1 3.69Å
355	M	89.5	Confident	88.7	Confident	150 Å²	150	41.3 Å²	41.3	74%	0.739	22%	0.217	S	C	*	.	H	α-helix	trans	-63.5	-37	176.3	-71.2	179.1	68.6	0	0	112	E351 S352 L353	E351-M355 WeakPolarHBondContact O-CB 3.42Å; E351-M355 VanDerWaalsContact O-CG 3.3Å; E351-M355 WeakPolarHBondContact O-CG 3.36Å; E351-M355 PolarHBondContact O-N 3.06Å; S352-M355 PolarHBondContact O-N 3.43Å; L353-M355 VanDerWaalsContact C-N 3.35Å; L353-M355 PolarHBondContact O-N 2.7Å
356	A	92.4	Very high	86.8	Confident	25 Å²	25	42.7 Å²	42.7	21%	0.207	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-37.5	176	0	0	0	0	0	111.9	S352 L353 L354 K358 H416 L420	S352-A356 WeakPolarHBondContact O-CB 3.37Å; S352-A356 PolarHBondContact O-N 2.94Å; L353-A356 PolarHBondContact O-N 3.44Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 2.93Å; A356-K358 PolarHBondContact O-N 2.9Å; A356-H416 HydrophobicContact CB-CB 3.87Å; A356-H416 PolarHBondContact O-NE2 3.21Å; A356-L420 HydrophobicContact CB-CD1 4.48Å
357	L	92.8	Very high	84.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	35.7	178.6	-69.3	167.9	0	0	0	114.1	L353 L354 N359 V360 L362 E412 L413	L353-L357 HydrophobicContact CD1-CD1 3.98Å; L353-L357 HydrophobicContact CD1-CG 4.31Å; L353-L357 HydrophobicContact CG-CD1 3.94Å; L353-L357 WeakPolarHBondContact O-CB 2.98Å; L353-L357 WeakPolarHBondContact O-CG 3.41Å; L353-L357 PolarHBondContact O-N 2.95Å; L354-L357 PolarHBondContact O-N 3.46Å; L357-N359 PolarHBondContact O-N 3.48Å; L357-V360 CarbonylContact O-C 3.53Å; L357-V360 PolarHBondContact O-N 3.37Å; L357-L362 HydrophobicContact CB-CD1 4.24Å; L357-L362 HydrophobicContact CD1-CD1 3.67Å; L357-L362 HydrophobicContact CG-CD1 4.49Å; L357-E412 HydrophobicContact CD2-CB 4.15Å; L357-L413 HydrophobicContact CD1-CD1 3.79Å; L357-L413 HydrophobicContact CD2-CB 4.37Å
358	K	91.2	Very high	82.4	Confident	161 Å²	161	46 Å²	46	70%	0.7	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-20.9	-176.7	68.1	-177.7	-178.7	-178.9	0	116	A356 V360	A356-K358 PolarHBondContact O-N 2.9Å; K358-V360 VanDerWaalsContact C-N 3.34Å
359	N	93.3	Very high	80.1	Confident	54 Å²	54	47.2 Å²	47.2	29%	0.289	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.2	179	-61.4	-33	0	0	0	112.8	P45 L46 L357 F408	P45-N359 CarbonylContact C-O 3.36Å; P45-N359 VanDerWaalsContact CA-O 3.26Å; P45-N359 WeakPolarHBondContact CA-O 3.32Å; P45-N359 WeakPolarHBondContact CB-O 3.47Å; L46-N359 PolarHBondContact N-O 2.89Å; L357-N359 PolarHBondContact O-N 3.48Å; N359-F408 HydrophobicContact CB-CE1 4.05Å; N359-F408 HydrophobicContact CB-CZ 4.25Å
360	V	94.7	Very high	78.1	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	115.2	180	-167	0	0	0	0	108.6	L46 F48 L357 K358 L362 F408 T409	L46-V360 CarbonylContact O-C 3.37Å; F48-V360 HydrophobicContact CB-CG1 4.09Å; F48-V360 HydrophobicContact CD2-CG1 3.65Å; F48-V360 HydrophobicContact CE2-CG1 4.45Å; F48-V360 HydrophobicContact CG-CG1 4.17Å; L357-V360 CarbonylContact O-C 3.53Å; L357-V360 PolarHBondContact O-N 3.37Å; K358-V360 VanDerWaalsContact C-N 3.34Å; V360-L362 HydrophobicContact CB-CD1 4.1Å; V360-L362 HydrophobicContact CB-CG 4.28Å; V360-L362 HydrophobicContact CG1-CD1 3.93Å; V360-L362 HydrophobicContact CG1-CD2 4.06Å; V360-L362 HydrophobicContact CG1-CG 3.76Å; V360-L362 PolarHBondContact O-N 3.02Å; V360-F408 HydrophobicContact CG2-CE1 4.36Å; V360-T409 HydrophobicContact CG1-CG2 4.08Å; V360-T409 HydrophobicContact CG2-CG2 4.43Å
361	A	94.6	Very high	76	Confident	31 Å²	31	52.1 Å²	52.1	26%	0.256	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	113.7	173.3	0	0	0	0	0	109.6	L46 Y47 F48	L46-A361 PolarHBondContact O-N 3.07Å; Y47-A361 HydrophobicContact CD2-CB 3.96Å; Y47-A361 HydrophobicContact CE2-CB 4.48Å; F48-A361 CarbonylContact C-O 3.57Å; F48-A361 VanDerWaalsContact C-O 3.31Å; F48-A361 WeakPolarHBondContact CA-O 3.26Å; F48-A361 PolarHBondContact N-O 3.14Å
362	L	93	Very high	74.5	Confident	24 Å²	24	49.6 Å²	49.6	13%	0.126	31%	0.313	C	S	.	.			trans	-134.3	172.8	-175.5	-67.6	164.8	0	0	0	109.8	F48 L354 L357 V360 I393 F395	F48-L362 HydrophobicContact CB-CD2 3.48Å; F48-L362 VanDerWaalsContact CB-CD2 3.48Å; F48-L362 HydrophobicContact CB-CG 4.46Å; F48-L362 HydrophobicContact CG-CD2 4.47Å; L354-L362 HydrophobicContact CD2-CB 3.82Å; L357-L362 HydrophobicContact CB-CD1 4.24Å; L357-L362 HydrophobicContact CD1-CD1 3.67Å; L357-L362 HydrophobicContact CG-CD1 4.49Å; V360-L362 HydrophobicContact CB-CD1 4.1Å; V360-L362 HydrophobicContact CB-CG 4.28Å; V360-L362 HydrophobicContact CG1-CD1 3.93Å; V360-L362 HydrophobicContact CG1-CD2 4.06Å; V360-L362 HydrophobicContact CG1-CG 3.76Å; V360-L362 PolarHBondContact O-N 3.02Å; L362-I393 HydrophobicContact CB-CG2 4.18Å; L362-I393 HydrophobicContact CD1-CG2 4.08Å; L362-I393 HydrophobicContact CD2-CG2 4.36Å; L362-I393 HydrophobicContact CG-CG2 4.44Å; L362-F395 HydrophobicContact CD1-CD1 4.42Å; L362-F395 HydrophobicContact CD1-CE1 3.96Å; L362-F395 HydrophobicContact CD2-CB 4.46Å; L362-F395 HydrophobicContact CD2-CD1 3.38Å; L362-F395 HydrophobicContact CD2-CE1 3.78Å; L362-F395 HydrophobicContact CD2-CG 4.09Å
363	S	87	Confident	73.2	Confident	5 Å²	5	53.9 Å²	53.9	4%	0.035	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.9	176.3	177.5	0	0	0	0	110	D49 A367 R394	D49-S363 WeakPolarHBondContact OD1-CB 3.21Å; S363-A367 WeakPolarHBondContact OG-CB 3.34Å; S363-R394 PolarHBondContact O-N 2.88Å; S363-R394 PolarHBondContact OG-NH2 2.88Å
364	S	81.9	Confident	72.3	Confident	17 Å²	17	59.8 Å²	59.8	12%	0.119	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	162.1	157.5	55.5	0	0	0	0	109.7	S366 A367 S392	S364-S366 PolarHBondContact O-N 2.95Å; S364-S366 VanDerWaalsContact O-N 3.08Å; S364-S366 PolarHBondContact OG-OG 3.06Å; S364-A367 WeakPolarHBondContact O-CB 3.47Å; S364-A367 PolarHBondContact O-N 3.42Å; S364-A367 VanDerWaalsContact O-N 3.09Å; S364-S392 WeakPolarHBondContact CA-O 3.47Å
365	G	61.7	Low	71.8	Confident	12 Å²	12	58.4 Å²	58.4	12%	0.124	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.7	178.2	0	0	0	0	0	114.5
366	S	54.2	Low	71.8	Confident	29 Å²	29	51.4 Å²	51.4	20%	0.203	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.6	177.5	38.7	0	0	0	0	114.5	S364 C368 T369	S364-S366 PolarHBondContact O-N 2.95Å; S364-S366 VanDerWaalsContact O-N 3.08Å; S364-S366 PolarHBondContact OG-OG 3.06Å; S366-C368 VanDerWaalsContact C-N 3.32Å; S366-C368 PolarHBondContact O-N 3.2Å; S366-C368 VanDerWaalsContact O-N 3.13Å; S366-T369 PolarHBondContact O-N 2.92Å; S366-T369 PolarHBondContact O-OG1 2.94Å
367	A	43.5	Very low	71.8	Confident	53 Å²	53	52.1 Å²	52.1	44%	0.438	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.3	-163.5	0	0	0	0	0	115.9	S363 S364 T369	S363-A367 WeakPolarHBondContact OG-CB 3.34Å; S364-A367 WeakPolarHBondContact O-CB 3.47Å; S364-A367 PolarHBondContact O-N 3.42Å; S364-A367 VanDerWaalsContact O-N 3.09Å; A367-T369 PolarHBondContact O-N 3.41Å
368	C	49.4	Very low	71.9	Confident	78 Å²	78	52 Å²	52	53%	0.527	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.1	172.5	-68.2	0	0	0	0	112.9	S366	S366-C368 VanDerWaalsContact C-N 3.32Å; S366-C368 PolarHBondContact O-N 3.2Å; S366-C368 VanDerWaalsContact O-N 3.13Å
369	T	43.6	Very low	72.1	Confident	35 Å²	35	44.4 Å²	44.4	22%	0.215	28%	0.283	C	S	.	.			trans	-109.9	92.5	166.8	37.4	0	0	0	0	110.2	K144 S366 A367 A371	K144-T369 HydrophobicContact CD-CG2 4.33Å; S366-T369 PolarHBondContact O-N 2.92Å; S366-T369 PolarHBondContact O-OG1 2.94Å; A367-T369 PolarHBondContact O-N 3.41Å; T369-A371 PolarHBondContact O-N 2.97Å
370	S	40.6	Very low	72.1	Confident	130 Å²	130	48.3 Å²	48.3	91%	0.909	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	11.3	172	59.1	0	0	0	0	114.4
371	A	40.2	Very low	72.1	Confident	97 Å²	97	48.8 Å²	48.8	80%	0.802	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.2	-13.6	-167.9	0	0	0	0	0	116	T369	T369-A371 PolarHBondContact O-N 2.97Å
372	S	51.6	Low	72.1	Confident	44 Å²	44	47.8 Å²	47.8	31%	0.308	29%	0.289	S	S	.	.			trans	-136.1	126.9	-178.1	62.2	0	0	0	0	111.4	E374	S372-E374 PolarHBondContact O-N 3.22Å
373	L	62	Low	72.2	Confident	132 Å²	132	49.3 Å²	49.3	69%	0.691	31%	0.311	S	S	*	.			trans	-66.8	8.9	174.8	-106.5	114.1	0	0	0	114.1	H390	L373-H390 PolarHBondContact O-CE1 3.36Å; L373-H390 VanDerWaalsContact O-CE1 3.31Å
374	E	71.7	Confident	72.4	Confident	124 Å²	124	50.3 Å²	50.3	58%	0.579	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-63.6	140.5	-176.8	-68.9	-172.9	-179.9	0	0	111.6	S372	S372-E374 PolarHBondContact O-N 3.22Å
375	P	79.4	Confident	72.6	Confident	15 Å²	15	53.7 Å²	53.7	10%	0.097	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-60.2	152.9	174.9	24.9	-32.5	0	0	0	110.6	Y377 E386 A389	P375-Y377 PolarHBondContact O-N 3.4Å; P375-Y377 VanDerWaalsContact O-N 3.11Å; P375-E386 HydrophobicContact CG-CG 4.13Å; P375-A389 HydrophobicContact CB-CB 3.91Å
376	S	89	Confident	73.6	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.028	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-53.6	121.9	179.5	165.7	0	0	0	0	110.9	E195 V378 L379 R380	E195-S376 WeakPolarHBondContact OE2-CB 3.38Å; E195-S376 PolarHBondContact OE2-OG 3.23Å; S376-V378 PolarHBondContact O-N 3.23Å; S376-V378 PolarHBondContact OG-N 3.41Å; S376-L379 PolarHBondContact O-N 2.99Å; S376-L379 PolarHBondContact OG-N 3.14Å; S376-L379 VanDerWaalsContact OG-N 3.14Å; S376-R380 PolarHBondContact O-N 2.79Å
377	Y	92.1	Very high	74.9	Confident	40 Å²	40	62.3 Å²	62.3	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-64.2	-25.8	174.7	67.6	-82.6	0	0	0	111.7	Q140 E142 K144 L147 P375 A381	Q140-Y377 WeakPolarHBondContact O-CD2 3.37Å; E142-Y377 WeakPolarHBondContact O-CE2 3.34Å; E142-Y377 PolarHBondContact O-OH 3.37Å; K144-Y377 HydrophobicContact CG-CE1 4.18Å; L147-Y377 HydrophobicContact CD1-CD2 4.04Å; L147-Y377 HydrophobicContact CD1-CE2 3.59Å; P375-Y377 PolarHBondContact O-N 3.4Å; P375-Y377 VanDerWaalsContact O-N 3.11Å; Y377-A381 VanDerWaalsContact O-CB 3.27Å; Y377-A381 WeakPolarHBondContact O-CB 3.39Å; Y377-A381 PolarHBondContact O-N 2.94Å
378	V	95.3	Very high	77	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-70	-46.6	174.2	177.4	0	0	0	0	110.4	I141 E195 I196 S376 R380 A381 I382	I141-V378 HydrophobicContact CB-CG1 4.22Å; I141-V378 HydrophobicContact CB-CG2 4.43Å; I141-V378 HydrophobicContact CG2-CG1 4.03Å; E195-V378 HydrophobicContact CB-CB 4.43Å; E195-V378 HydrophobicContact CB-CG1 4.37Å; E195-V378 HydrophobicContact CB-CG2 4.48Å; E195-V378 HydrophobicContact CG-CG2 4.27Å; E195-V378 VanDerWaalsContact OE1-CG2 3.3Å; E195-V378 WeakPolarHBondContact OE1-CG2 3.18Å; I196-V378 HydrophobicContact CD1-CG1 4.11Å; I196-V378 HydrophobicContact CG1-CG1 4.13Å; I196-V378 HydrophobicContact CG2-CG1 4.21Å; S376-V378 PolarHBondContact O-N 3.23Å; S376-V378 PolarHBondContact OG-N 3.41Å; V378-R380 VanDerWaalsContact C-N 3.34Å; V378-R380 PolarHBondContact O-N 2.73Å; V378-A381 WeakPolarHBondContact O-CB 3.31Å; V378-A381 PolarHBondContact O-N 2.9Å; V378-A381 VanDerWaalsContact O-N 3.16Å; V378-I382 PolarHBondContact O-N 3.45Å
379	L	94.6	Very high	78.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-40	177.8	-64.2	-178.3	0	0	0	111.6	I196 N330 S376 A381 I382 G383 T384 A389 S392	I196-L379 HydrophobicContact CG2-CD2 3.73Å; N330-L379 HydrophobicContact CB-CD2 3.82Å; S376-L379 PolarHBondContact O-N 2.99Å; S376-L379 PolarHBondContact OG-N 3.14Å; S376-L379 VanDerWaalsContact OG-N 3.14Å; L379-A381 VanDerWaalsContact C-N 3.31Å; L379-A381 PolarHBondContact O-N 3.47Å; L379-I382 HydrophobicContact CD2-CD1 4.06Å; L379-I382 WeakPolarHBondContact O-CG1 3.27Å; L379-I382 PolarHBondContact O-N 3.27Å; L379-G383 PolarHBondContact O-N 3.45Å; L379-T384 VanDerWaalsContact O-CB 3.31Å; L379-T384 WeakPolarHBondContact O-CB 3.4Å; L379-T384 PolarHBondContact O-N 3.45Å; L379-T384 PolarHBondContact O-OG1 3.38Å; L379-A389 HydrophobicContact CB-CB 4.01Å; L379-A389 HydrophobicContact CD1-CB 4.25Å; L379-S392 VanDerWaalsContact CD1-OG 3.25Å; L379-S392 WeakPolarHBondContact CD1-OG 3.49Å
380	R	93.5	Very high	80.7	Confident	137 Å²	137	60 Å²	60	52%	0.517	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-39.1	172.3	-173.1	172.1	59.9	-142.4	-3.2	112.1	S376 V378 I382 G383	S376-R380 PolarHBondContact O-N 2.79Å; V378-R380 VanDerWaalsContact C-N 3.34Å; V378-R380 PolarHBondContact O-N 2.73Å; R380-I382 VanDerWaalsContact C-N 3.31Å; R380-I382 PolarHBondContact O-N 2.94Å; R380-G383 PolarHBondContact O-N 2.94Å
381	A	94.7	Very high	82.9	Confident	17 Å²	17	53.9 Å²	53.9	14%	0.14	30%	0.296	C	S	.	.	H	α-helix	trans	-67.4	-26.9	179.4	0	0	0	0	0	113.7	Q140 I141 Y377 V378 L379 G383	Q140-A381 HydrophobicContact CB-CB 3.94Å; I141-A381 HydrophobicContact CG2-CB 3.73Å; Y377-A381 VanDerWaalsContact O-CB 3.27Å; Y377-A381 WeakPolarHBondContact O-CB 3.39Å; Y377-A381 PolarHBondContact O-N 2.94Å; V378-A381 WeakPolarHBondContact O-CB 3.31Å; V378-A381 PolarHBondContact O-N 2.9Å; V378-A381 VanDerWaalsContact O-N 3.16Å; L379-A381 VanDerWaalsContact C-N 3.31Å; L379-A381 PolarHBondContact O-N 3.47Å; A381-G383 VanDerWaalsContact C-N 3.29Å
382	I	96.3	Very high	85.4	Confident	11 Å²	11	49.3 Å²	49.3	6%	0.056	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.1	171.8	66.7	170.7	0	0	0	113	V165 K167 I196 N330 V378 L379 R380 T384	V165-I382 HydrophobicContact CG2-CG2 3.86Å; K167-I382 WeakPolarHBondContact CA-O 3.49Å; I196-I382 HydrophobicContact CD1-CG2 4.15Å; N330-I382 HydrophobicContact CB-CD1 4.23Å; V378-I382 PolarHBondContact O-N 3.45Å; L379-I382 HydrophobicContact CD2-CD1 4.06Å; L379-I382 WeakPolarHBondContact O-CG1 3.27Å; L379-I382 PolarHBondContact O-N 3.27Å; R380-I382 VanDerWaalsContact C-N 3.31Å; R380-I382 PolarHBondContact O-N 2.94Å; I382-T384 WeakPolarHBondContact CG1-OG1 3.41Å
383	G	93.7	Very high	87.4	Confident	56 Å²	56	47.2 Å²	47.2	58%	0.577	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.9	23.9	177.7	0	0	0	0	0	114.6	L379 R380 A381	L379-G383 PolarHBondContact O-N 3.45Å; R380-G383 PolarHBondContact O-N 2.94Å; A381-G383 VanDerWaalsContact C-N 3.29Å
384	T	91	Very high	89	Confident	25 Å²	25	41.3 Å²	41.3	15%	0.153	21%	0.212	C	C	.	.			trans	-65.1	133.7	169.1	-55.7	0	0	0	0	109.3	L379 I382 L388 A389	L379-T384 VanDerWaalsContact O-CB 3.31Å; L379-T384 WeakPolarHBondContact O-CB 3.4Å; L379-T384 PolarHBondContact O-N 3.45Å; L379-T384 PolarHBondContact O-OG1 3.38Å; I382-T384 WeakPolarHBondContact CG1-OG1 3.41Å; T384-L388 HydrophobicContact CG2-CB 3.58Å; T384-A389 HydrophobicContact CG2-CB 4.34Å
385	E	87.6	Confident	90.2	Very high	89 Å²	89	35.4 Å²	35.4	42%	0.416	18%	0.184	S	C	.	.			trans	-59.3	147.9	174.9	-62.3	-176.9	-179.1	0	0	110.1	D387 L388 A389 K437	E385-D387 VanDerWaalsContact C-N 3.33Å; E385-D387 WeakPolarHBondContact CB-OD1 3.27Å; E385-D387 PolarHBondContact O-N 2.98Å; E385-L388 HydrophobicContact CB-CD1 4.46Å; E385-L388 PolarHBondContact O-N 3.5Å; E385-L388 VanDerWaalsContact O-N 3.11Å; E385-A389 PolarHBondContact O-N 3Å; E385-K437 IonicContact OE1-NZ 3.96Å; E385-K437 PolarHBondContact OE1-NZ 3.43Å; E385-K437 IonicContact OE2-NZ 3.97Å
386	E	82	Confident	91.1	Very high	131 Å²	131	34.7 Å²	34.7	61%	0.612	18%	0.18	S	C	*	.	H	α-helix	trans	-61.5	-41.2	-168.5	-171.4	163.6	-155.7	0	0	112.4	P375 L388 A389 H390	P375-E386 HydrophobicContact CG-CG 4.13Å; E386-L388 PolarHBondContact O-N 2.93Å; E386-A389 WeakPolarHBondContact O-CB 3.06Å; E386-A389 PolarHBondContact O-N 3.45Å; E386-H390 PolarHBondContact O-CD2 2.64Å; E386-H390 PolarHBondContact O-N 2.94Å; E386-H390 VanDerWaalsContact O-N 3.12Å
387	D	82	Confident	91.6	Very high	91 Å²	91	34.5 Å²	34.5	49%	0.487	18%	0.179	S	C	.	.	H	α-helix	trans	-60.5	-42.5	174	64	-32.6	0	0	0	112.6	E385 H390 S391	E385-D387 VanDerWaalsContact C-N 3.33Å; E385-D387 WeakPolarHBondContact CB-OD1 3.27Å; E385-D387 PolarHBondContact O-N 2.98Å; D387-H390 PolarHBondContact O-N 3.26Å; D387-S391 PolarHBondContact O-N 2.96Å; D387-S391 PolarHBondContact O-OG 3.11Å
388	L	86.4	Confident	91.8	Very high	32 Å²	32	32.6 Å²	32.6	17%	0.168	17%	0.171	C	C	.	.	H	α-helix	trans	-69.1	-33.5	174.7	-71.2	178.1	0	0	0	112.5	S344 A346 T384 E385 E386 H390 S391 S392	S344-L388 PolarHBondContact OG-O 3.28Å; A346-L388 HydrophobicContact CB-CD2 3.77Å; T384-L388 HydrophobicContact CG2-CB 3.58Å; E385-L388 HydrophobicContact CB-CD1 4.46Å; E385-L388 PolarHBondContact O-N 3.5Å; E385-L388 VanDerWaalsContact O-N 3.11Å; E386-L388 PolarHBondContact O-N 2.93Å; L388-H390 VanDerWaalsContact C-N 3.3Å; L388-H390 PolarHBondContact O-N 2.92Å; L388-S391 WeakPolarHBondContact CA-OG 3.39Å; L388-S391 PolarHBondContact O-N 3.2Å; L388-S391 PolarHBondContact O-OG 3.3Å; L388-S391 VanDerWaalsContact O-OG 3.1Å; L388-S392 PolarHBondContact O-N 3.33Å; L388-S392 PolarHBondContact O-OG 3.06Å
389	A	85.7	Confident	91.9	Very high	6 Å²	6	32.9 Å²	32.9	5%	0.05	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-36.4	176.3	0	0	0	0	0	111.5	P375 L379 T384 E385 E386 S391	P375-A389 HydrophobicContact CB-CB 3.91Å; L379-A389 HydrophobicContact CB-CB 4.01Å; L379-A389 HydrophobicContact CD1-CB 4.25Å; T384-A389 HydrophobicContact CG2-CB 4.34Å; E385-A389 PolarHBondContact O-N 3Å; E386-A389 WeakPolarHBondContact O-CB 3.06Å; E386-A389 PolarHBondContact O-N 3.45Å; A389-S391 VanDerWaalsContact C-N 3.34Å
390	H	84.5	Confident	91.9	Very high	78 Å²	78	33.6 Å²	33.6	36%	0.361	18%	0.175	S	C	.	.	H	α-helix	trans	-70.3	-26.8	174	-77.2	-71.9	0	0	0	113.6	G350 L373 E386 D387 L388 S392	G350-H390 VanDerWaalsContact CA-O 3.28Å; G350-H390 WeakPolarHBondContact CA-O 3.25Å; G350-H390 PolarHBondContact N-O 2.64Å; L373-H390 PolarHBondContact O-CE1 3.36Å; L373-H390 VanDerWaalsContact O-CE1 3.31Å; E386-H390 PolarHBondContact O-CD2 2.64Å; E386-H390 PolarHBondContact O-N 2.94Å; E386-H390 VanDerWaalsContact O-N 3.12Å; D387-H390 PolarHBondContact O-N 3.26Å; L388-H390 VanDerWaalsContact C-N 3.3Å; L388-H390 PolarHBondContact O-N 2.92Å; H390-S392 VanDerWaalsContact C-N 3.32Å; H390-S392 PolarHBondContact O-N 2.95Å
391	S	87.4	Confident	92.1	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	22	-179.5	67.8	0	0	0	0	114	F345 V348 D387 L388 A389	F345-S391 PolarHBondContact N-O 2.96Å; F345-S391 WeakPolarHBondContact O-CB 3.49Å; F345-S391 PolarHBondContact O-OG 3.46Å; F345-S391 VanDerWaalsContact O-OG 3.09Å; V348-S391 WeakPolarHBondContact O-CB 3.34Å; D387-S391 PolarHBondContact O-N 2.96Å; D387-S391 PolarHBondContact O-OG 3.11Å; L388-S391 WeakPolarHBondContact CA-OG 3.39Å; L388-S391 PolarHBondContact O-N 3.2Å; L388-S391 PolarHBondContact O-OG 3.3Å; L388-S391 VanDerWaalsContact O-OG 3.1Å; A389-S391 VanDerWaalsContact C-N 3.34Å
392	S	92.4	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.4	-174.8	-63.2	0	0	0	0	113.7	F343 S344 S364 L379 L388 H390	F343-S392 CarbonylContact O-C 3.5Å; F343-S392 VanDerWaalsContact O-CA 3.25Å; F343-S392 WeakPolarHBondContact O-CA 3.37Å; S344-S392 WeakPolarHBondContact CB-OG 3.29Å; S344-S392 PolarHBondContact OG-OG 3.32Å; S364-S392 WeakPolarHBondContact CA-O 3.47Å; L379-S392 VanDerWaalsContact CD1-OG 3.25Å; L379-S392 WeakPolarHBondContact CD1-OG 3.49Å; L388-S392 PolarHBondContact O-N 3.33Å; L388-S392 PolarHBondContact O-OG 3.06Å; H390-S392 VanDerWaalsContact C-N 3.32Å; H390-S392 PolarHBondContact O-N 2.95Å
393	I	93.8	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.1	-179.9	-52.2	-63.5	0	0	0	110	N342 F343 F345 L353 L354 L362 F395	N342-I393 WeakPolarHBondContact CA-O 3.43Å; F343-I393 PolarHBondContact N-O 3.21Å; F343-I393 PolarHBondContact O-N 3.35Å; F345-I393 HydrophobicContact CD2-CG1 4.1Å; F345-I393 HydrophobicContact CE2-CB 4Å; F345-I393 HydrophobicContact CE2-CG1 3.91Å; L353-I393 HydrophobicContact CD2-CD1 4.37Å; L353-I393 HydrophobicContact CD2-CG1 3.9Å; L354-I393 HydrophobicContact CD1-CD1 4.41Å; L354-I393 HydrophobicContact CD2-CD1 3.77Å; L354-I393 HydrophobicContact CG-CD1 3.69Å; L362-I393 HydrophobicContact CB-CG2 4.18Å; L362-I393 HydrophobicContact CD1-CG2 4.08Å; L362-I393 HydrophobicContact CD2-CG2 4.36Å; L362-I393 HydrophobicContact CG-CG2 4.44Å; I393-F395 HydrophobicContact CB-CE2 3.89Å; I393-F395 HydrophobicContact CB-CZ 4.05Å; I393-F395 HydrophobicContact CG2-CD2 4.27Å; I393-F395 HydrophobicContact CG2-CE1 4.11Å; I393-F395 HydrophobicContact CG2-CE2 3.72Å; I393-F395 HydrophobicContact CG2-CZ 3.61Å
394	R	96.1	Very high	92.5	Very high	8 Å²	8	35.7 Å²	35.7	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.9	170.5	-173.1	-172.8	70.2	-157.1	-7.2	110.2	D49 N194 E195 V341 S363	D49-R394 IonicContact OD1-CZ 2.99Å; D49-R394 IonicContact OD1-NE 2.88Å; D49-R394 IonicContact OD1-NH2 3.66Å; D49-R394 PolarHBondContact OD1-NH2 2.92Å; N194-R394 WeakPolarHBondContact O-CD 3.36Å; N194-R394 PolarHBondContact O-NH1 3.28Å; E195-R394 WeakPolarHBondContact O-CD 3.18Å; V341-R394 CarbonylContact O-C 3.59Å; V341-R394 WeakPolarHBondContact O-CA 3.4Å; S363-R394 PolarHBondContact O-N 2.88Å; S363-R394 PolarHBondContact OG-NH2 2.88Å
395	F	97.4	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.8	171.7	-53.4	-96.4	0	0	0	108.9	L316 I320 V341 F345 L362 I393 T409 L413	L316-F395 HydrophobicContact CD2-CB 3.6Å; L316-F395 HydrophobicContact CD2-CD1 4.25Å; L316-F395 HydrophobicContact CD2-CD2 4.42Å; L316-F395 HydrophobicContact CD2-CG 3.85Å; I320-F395 HydrophobicContact CD1-CE2 4.29Å; I320-F395 HydrophobicContact CD1-CZ 4.4Å; V341-F395 HydrophobicContact CB-CB 4.33Å; V341-F395 PolarHBondContact N-O 2.93Å; V341-F395 PolarHBondContact O-N 2.99Å; F345-F395 HydrophobicContact CE2-CE2 4.29Å; F345-F395 HydrophobicContact CE2-CZ 4.42Å; F345-F395 HydrophobicContact CZ-CE2 4.21Å; F345-F395 HydrophobicContact CZ-CZ 4.2Å; L362-F395 HydrophobicContact CD1-CD1 4.42Å; L362-F395 HydrophobicContact CD1-CE1 3.96Å; L362-F395 HydrophobicContact CD2-CB 4.46Å; L362-F395 HydrophobicContact CD2-CD1 3.38Å; L362-F395 HydrophobicContact CD2-CE1 3.78Å; L362-F395 HydrophobicContact CD2-CG 4.09Å; I393-F395 HydrophobicContact CB-CE2 3.89Å; I393-F395 HydrophobicContact CB-CZ 4.05Å; I393-F395 HydrophobicContact CG2-CD2 4.27Å; I393-F395 HydrophobicContact CG2-CE1 4.11Å; I393-F395 HydrophobicContact CG2-CE2 3.72Å; I393-F395 HydrophobicContact CG2-CZ 3.61Å; F395-T409 HydrophobicContact CD1-CG2 4.17Å; F395-T409 HydrophobicContact CE1-CG2 4.02Å; F395-L413 HydrophobicContact CE1-CD2 4.26Å; F395-L413 HydrophobicContact CZ-CD1 4.3Å; F395-L413 HydrophobicContact CZ-CD2 3.8Å
396	G	97.9	Very high	93.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.6	173.3	0	0	0	0	0	111.3	F48 F50 G339	F48-G396 CarbonylContact C-O 3.54Å; F48-G396 VanDerWaalsContact C-O 3.3Å; F48-G396 WeakPolarHBondContact CA-O 3.22Å; F48-G396 WeakPolarHBondContact O-CA 3.35Å; F48-G396 PolarHBondContact O-N 3.07Å; F50-G396 WeakPolarHBondContact CD2-O 3.49Å; G339-G396 WeakPolarHBondContact O-CA 3.31Å
397	I	98.4	Very high	94.1	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.14	C	C	.	.			trans	-113.3	135	177.5	-57.6	173.1	0	0	0	108.3	F48 V309 L312 L316 G339 T401	F48-I397 HydrophobicContact CD1-CG1 4.23Å; F48-I397 HydrophobicContact CE1-CG1 4.14Å; V309-I397 HydrophobicContact CB-CG2 4.48Å; V309-I397 HydrophobicContact CG1-CB 4.24Å; V309-I397 HydrophobicContact CG1-CG2 4.14Å; V309-I397 HydrophobicContact CG2-CG2 4.27Å; L312-I397 HydrophobicContact CB-CD1 4.24Å; L312-I397 HydrophobicContact CB-CG2 3.82Å; L312-I397 HydrophobicContact CD1-CG2 3.8Å; L312-I397 HydrophobicContact CG-CG2 4.48Å; L316-I397 HydrophobicContact CB-CD1 4.44Å; L316-I397 HydrophobicContact CD2-CD1 4.02Å; G339-I397 PolarHBondContact O-N 3.32Å; I397-T401 HydrophobicContact CG2-CG2 4.1Å
398	G	97.5	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.			trans	-131.1	-175.3	-177.8	0	0	0	0	0	114.1	Y247 F400 T401	Y247-G398 WeakPolarHBondContact OH-CA 2.98Å; G398-F400 PolarHBondContact O-N 3.13Å; G398-F400 VanDerWaalsContact O-N 3.09Å; G398-T401 PolarHBondContact N-OG1 3.11Å; G398-T401 PolarHBondContact O-N 3.39Å; G398-T401 VanDerWaalsContact O-N 3.15Å; G398-T401 PolarHBondContact O-OG1 2.93Å
399	R	97.1	Very high	95.3	Very high	6 Å²	6	26.5 Å²	26.5	2%	0.023	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.2	-178.2	175.6	-179.3	-65.6	170.5	-2.3	113.4	R14 D57 Y247 E301 D305	R14-R399 PolarHBondContact NE-O 3.32Å; R14-R399 PolarHBondContact NH2-O 3.26Å; D57-R399 IonicContact OD2-CZ 2.69Å; D57-R399 IonicContact OD2-NH1 3.09Å; D57-R399 PolarHBondContact OD2-NH1 3.22Å; Y247-R399 HydrophobicContact CE1-CB 3.89Å; Y247-R399 HydrophobicContact CE2-CB 3.95Å; Y247-R399 VanDerWaalsContact CZ-CB 3.47Å; Y247-R399 WeakPolarHBondContact OH-CB 3.48Å; Y247-R399 PolarHBondContact OH-N 3.42Å; E301-R399 IonicContact OE2-CZ 2.74Å; E301-R399 IonicContact OE2-NE 2.81Å; E301-R399 PolarHBondContact OE2-NE 3.17Å; E301-R399 IonicContact OE2-NH1 3.66Å; E301-R399 PolarHBondContact OE2-NH1 3.29Å; E301-R399 IonicContact OE2-NH2 2.64Å; E301-R399 PolarHBondContact OE2-NH2 3.03Å; D305-R399 IonicContact OD1-NE 3.39Å; D305-R399 IonicContact OD2-CZ 2.82Å; D305-R399 IonicContact OD2-NE 2.78Å; D305-R399 PolarHBondContact OD2-NE 2.86Å; D305-R399 IonicContact OD2-NH2 3.82Å; D305-R399 PolarHBondContact OD2-NH2 3.09Å
400	F	95	Very high	95.9	Very high	14 Å²	14	26.4 Å²	26.4	6%	0.061	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-0.5	-172.5	-54.5	-69.8	0	0	0	113.4	R14 I17 Q55 Y247 G398	R14-F400 HydrophobicContact CG-CD1 4.44Å; I17-F400 HydrophobicContact CD1-CD1 3.6Å; I17-F400 HydrophobicContact CD1-CE1 3.27Å; I17-F400 HydrophobicContact CD1-CE2 4.36Å; I17-F400 HydrophobicContact CD1-CG 4.29Å; I17-F400 HydrophobicContact CD1-CZ 3.68Å; Q55-F400 HydrophobicContact CG-CD2 3.74Å; Q55-F400 HydrophobicContact CG-CE2 3.9Å; Q55-F400 VanDerWaalsContact NE2-CE2 3.34Å; Y247-F400 HydrophobicContact CD1-CD2 4.17Å; Y247-F400 AromaticContact CD1-CE2 3.7Å; Y247-F400 HydrophobicContact CD1-CE2 3.7Å; Y247-F400 HydrophobicContact CE1-CD2 4.02Å; Y247-F400 AromaticContact CE1-CE2 3.98Å; Y247-F400 HydrophobicContact CE1-CE2 3.98Å; Y247-F400 HydrophobicContact CG-CE2 4.44Å; G398-F400 PolarHBondContact O-N 3.13Å; G398-F400 VanDerWaalsContact O-N 3.09Å
401	T	97.2	Very high	96.5	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	13%	0.129	C	C	.	.			trans	-68.2	141.6	172.8	-51.7	0	0	0	0	109.5	F48 F50 H308 L312 I397 G398 E405 V406	F48-T401 HydrophobicContact CE1-CG2 3.86Å; F48-T401 HydrophobicContact CE2-CG2 4.41Å; F48-T401 HydrophobicContact CZ-CG2 3.7Å; F50-T401 WeakPolarHBondContact CE2-OG1 3.5Å; H308-T401 PolarHBondContact CE1-O 3.43Å; H308-T401 PolarHBondContact NE2-O 3.08Å; L312-T401 HydrophobicContact CD1-CG2 3.93Å; L312-T401 WeakPolarHBondContact CD1-O 3.43Å; I397-T401 HydrophobicContact CG2-CG2 4.1Å; G398-T401 PolarHBondContact N-OG1 3.11Å; G398-T401 PolarHBondContact O-N 3.39Å; G398-T401 VanDerWaalsContact O-N 3.15Å; G398-T401 PolarHBondContact O-OG1 2.93Å; T401-E405 WeakPolarHBondContact CA-OE2 3.28Å; T401-E405 HydrophobicContact CG2-CB 4.46Å; T401-V406 HydrophobicContact CG2-CG2 4.12Å
402	T	97.5	Very high	96.9	Very high	34 Å²	34	26.2 Å²	26.2	21%	0.209	13%	0.134	C	C	.	.			trans	-111.9	166.7	178.2	84.9	0	0	0	0	112.9	E404 E405 V406	T402-E404 VanDerWaalsContact C-N 3.33Å; T402-E404 WeakPolarHBondContact CB-OE2 3.46Å; T402-E404 PolarHBondContact OG1-N 3.46Å; T402-E404 PolarHBondContact OG1-OE2 3.15Å; T402-E405 PolarHBondContact N-OE2 2.96Å; T402-E405 PolarHBondContact O-N 3.26Å; T402-E405 WeakPolarHBondContact OG1-CG 3.45Å; T402-E405 PolarHBondContact OG1-N 3.25Å; T402-V406 WeakPolarHBondContact O-CG2 3.37Å; T402-V406 PolarHBondContact O-N 2.95Å
403	E	98	Very high	97.2	Very high	100 Å²	100	26.2 Å²	26.2	47%	0.467	13%	0.134	S	C	.	.	H	α-helix	trans	-65.1	-38.8	176.6	-68.9	-172.6	-146.3	0	0	111.7	L312 R315 E405 V406 D407	L312-E403 HydrophobicContact CD2-CB 4.29Å; L312-E403 HydrophobicContact CD2-CG 3.57Å; R315-E403 IonicContact CZ-OE2 3.88Å; R315-E403 IonicContact NH1-OE2 3.56Å; R315-E403 PolarHBondContact NH1-OE2 2.83Å; E403-E405 VanDerWaalsContact C-N 3.33Å; E403-E405 PolarHBondContact O-N 2.77Å; E403-V406 WeakPolarHBondContact O-CB 3.42Å; E403-V406 PolarHBondContact O-N 2.98Å; E403-D407 PolarHBondContact O-N 3.44Å
404	E	97.5	Very high	97.3	Very high	130 Å²	130	27.5 Å²	27.5	61%	0.607	14%	0.142	S	C	*	.	H	α-helix	trans	-64.2	-39.3	178.3	-56.6	77.3	-170.2	0	0	111.3	T402 V406 D407 F408	T402-E404 VanDerWaalsContact C-N 3.33Å; T402-E404 WeakPolarHBondContact CB-OE2 3.46Å; T402-E404 PolarHBondContact OG1-N 3.46Å; T402-E404 PolarHBondContact OG1-OE2 3.15Å; E404-V406 VanDerWaalsContact C-N 3.35Å; E404-D407 PolarHBondContact O-N 3.2Å; E404-F408 VanDerWaalsContact O-CB 3.3Å; E404-F408 WeakPolarHBondContact O-CB 3.27Å; E404-F408 PolarHBondContact O-N 3.11Å
405	E	97.4	Very high	97.4	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-43	174.4	-70	-177.5	140.1	0	0	111.2	R21 L46 F48 T401 T402 E403 F408 T409	R21-E405 IonicContact CZ-OE1 3.7Å; R21-E405 IonicContact NH1-OE1 3.96Å; R21-E405 PolarHBondContact NH1-OE1 2.98Å; L46-E405 HydrophobicContact CD1-CB 3.96Å; L46-E405 HydrophobicContact CD1-CG 4.03Å; L46-E405 HydrophobicContact CD2-CG 3.97Å; F48-E405 HydrophobicContact CE2-CB 3.98Å; F48-E405 HydrophobicContact CZ-CB 4.09Å; T401-E405 WeakPolarHBondContact CA-OE2 3.28Å; T401-E405 HydrophobicContact CG2-CB 4.46Å; T402-E405 PolarHBondContact N-OE2 2.96Å; T402-E405 PolarHBondContact O-N 3.26Å; T402-E405 WeakPolarHBondContact OG1-CG 3.45Å; T402-E405 PolarHBondContact OG1-N 3.25Å; E403-E405 VanDerWaalsContact C-N 3.33Å; E403-E405 PolarHBondContact O-N 2.77Å; E405-F408 PolarHBondContact O-N 3.46Å; E405-T409 WeakPolarHBondContact O-CB 3.32Å; E405-T409 PolarHBondContact O-N 3.3Å; E405-T409 PolarHBondContact O-OG1 3.39Å; E405-T409 VanDerWaalsContact O-OG1 3.06Å
406	V	98.2	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-47.3	176.3	171.4	0	0	0	0	110.9	F48 L312 R315 L316 T401 T402 E403 E404 F408 T409 V410	F48-V406 HydrophobicContact CE1-CG2 4.01Å; F48-V406 HydrophobicContact CZ-CG2 3.93Å; L312-V406 HydrophobicContact CB-CG2 4.16Å; L312-V406 HydrophobicContact CD2-CG2 4.09Å; R315-V406 HydrophobicContact CB-CG1 4.2Å; R315-V406 HydrophobicContact CG-CG1 3.99Å; L316-V406 HydrophobicContact CB-CG1 3.87Å; L316-V406 HydrophobicContact CD1-CG1 4.22Å; T401-V406 HydrophobicContact CG2-CG2 4.12Å; T402-V406 WeakPolarHBondContact O-CG2 3.37Å; T402-V406 PolarHBondContact O-N 2.95Å; E403-V406 WeakPolarHBondContact O-CB 3.42Å; E403-V406 PolarHBondContact O-N 2.98Å; E404-V406 VanDerWaalsContact C-N 3.35Å; V406-F408 PolarHBondContact O-N 2.92Å; V406-T409 PolarHBondContact O-N 3.48Å; V406-V410 HydrophobicContact CG1-CG2 4.48Å; V406-V410 WeakPolarHBondContact O-CG2 3.32Å; V406-V410 PolarHBondContact O-N 3.2Å
407	D	97.9	Very high	97.3	Very high	67 Å²	67	34 Å²	34	36%	0.358	17%	0.171	S	C	.	.	H	α-helix	trans	-62.4	-43	179.9	-73.9	-20.5	0	0	0	112.3	R315 E403 E404 V410 A411	R315-D407 IonicContact CZ-OD1 3.83Å; R315-D407 VanDerWaalsContact CZ-OD1 3.3Å; R315-D407 IonicContact CZ-OD2 2.63Å; R315-D407 IonicContact NE-OD1 3.76Å; R315-D407 PolarHBondContact NE-OD1 3.09Å; R315-D407 IonicContact NE-OD2 3.22Å; R315-D407 PolarHBondContact NE-OD2 3.08Å; R315-D407 IonicContact NH2-OD1 2.91Å; R315-D407 PolarHBondContact NH2-OD1 3.31Å; R315-D407 IonicContact NH2-OD2 3.35Å; R315-D407 PolarHBondContact NH2-OD2 3.32Å; E403-D407 PolarHBondContact O-N 3.44Å; E404-D407 PolarHBondContact O-N 3.2Å; D407-V410 PolarHBondContact O-N 3.38Å; D407-A411 WeakPolarHBondContact O-CB 3.18Å; D407-A411 PolarHBondContact O-N 3.27Å
408	F	97.6	Very high	97.2	Very high	89 Å²	89	39.4 Å²	39.4	39%	0.39	20%	0.196	S	C	.	.	H	α-helix	trans	-60.9	-46.7	175.1	179.5	-89.2	0	0	0	111.1	L46 N359 V360 E404 E405 V406 V410 A411 E412	L46-F408 HydrophobicContact CD1-CB 4.2Å; L46-F408 HydrophobicContact CD1-CD1 3.49Å; L46-F408 VanDerWaalsContact CD1-CD1 3.49Å; L46-F408 HydrophobicContact CD1-CE1 4.21Å; L46-F408 HydrophobicContact CD1-CG 4.12Å; L46-F408 HydrophobicContact CG-CD1 4.43Å; N359-F408 HydrophobicContact CB-CE1 4.05Å; N359-F408 HydrophobicContact CB-CZ 4.25Å; V360-F408 HydrophobicContact CG2-CE1 4.36Å; E404-F408 VanDerWaalsContact O-CB 3.3Å; E404-F408 WeakPolarHBondContact O-CB 3.27Å; E404-F408 PolarHBondContact O-N 3.11Å; E405-F408 PolarHBondContact O-N 3.46Å; V406-F408 PolarHBondContact O-N 2.92Å; F408-V410 PolarHBondContact O-N 3.35Å; F408-A411 PolarHBondContact O-N 3.47Å; F408-E412 HydrophobicContact CD1-CG 4.37Å; F408-E412 HydrophobicContact CE1-CG 3.79Å; F408-E412 HydrophobicContact CE2-CG 4.33Å; F408-E412 HydrophobicContact CZ-CG 3.76Å; F408-E412 PolarHBondContact O-N 3.04Å
409	T	97	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-43.2	177.8	-66.9	0	0	0	0	111.6	F48 V360 F395 E405 V406 A411 L413	F48-T409 WeakPolarHBondContact CE2-OG1 3.18Å; V360-T409 HydrophobicContact CG1-CG2 4.08Å; V360-T409 HydrophobicContact CG2-CG2 4.43Å; F395-T409 HydrophobicContact CD1-CG2 4.17Å; F395-T409 HydrophobicContact CE1-CG2 4.02Å; E405-T409 WeakPolarHBondContact O-CB 3.32Å; E405-T409 PolarHBondContact O-N 3.3Å; E405-T409 PolarHBondContact O-OG1 3.39Å; E405-T409 VanDerWaalsContact O-OG1 3.06Å; V406-T409 PolarHBondContact O-N 3.48Å; T409-A411 VanDerWaalsContact C-N 3.34Å; T409-A411 PolarHBondContact O-N 3.23Å; T409-L413 WeakPolarHBondContact O-CB 3.47Å; T409-L413 PolarHBondContact O-N 2.96Å
410	V	98.2	Very high	97	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-42.6	175.4	170.5	0	0	0	0	111.1	L316 G319 K323 V406 D407 F408 T414	L316-V410 HydrophobicContact CD1-CG2 3.78Å; G319-V410 WeakPolarHBondContact O-CG1 3.32Å; K323-V410 HydrophobicContact CD-CG1 4.09Å; V406-V410 HydrophobicContact CG1-CG2 4.48Å; V406-V410 WeakPolarHBondContact O-CG2 3.32Å; V406-V410 PolarHBondContact O-N 3.2Å; D407-V410 PolarHBondContact O-N 3.38Å; F408-V410 PolarHBondContact O-N 3.35Å; V410-T414 WeakPolarHBondContact O-CB 3.42Å; V410-T414 PolarHBondContact O-N 2.99Å; V410-T414 PolarHBondContact O-OG1 3.45Å
411	A	97.4	Very high	97	Very high	51 Å²	51	48.1 Å²	48.1	42%	0.421	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-48.8	-180	0	0	0	0	0	112.2	D407 F408 T409 T414 K415	D407-A411 WeakPolarHBondContact O-CB 3.18Å; D407-A411 PolarHBondContact O-N 3.27Å; F408-A411 PolarHBondContact O-N 3.47Å; T409-A411 VanDerWaalsContact C-N 3.34Å; T409-A411 PolarHBondContact O-N 3.23Å; A411-T414 PolarHBondContact O-N 2.94Å; A411-K415 WeakPolarHBondContact O-CB 3.2Å; A411-K415 PolarHBondContact O-N 2.74Å; A411-K415 VanDerWaalsContact O-N 3.12Å
412	E	96.3	Very high	96.9	Very high	27 Å²	27	54.3 Å²	54.3	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-42.6	177.1	-81.7	-74.1	105.5	0	0	111.5	L357 F408 T414 K415 H416	L357-E412 HydrophobicContact CD2-CB 4.15Å; F408-E412 HydrophobicContact CD1-CG 4.37Å; F408-E412 HydrophobicContact CE1-CG 3.79Å; F408-E412 HydrophobicContact CE2-CG 4.33Å; F408-E412 HydrophobicContact CZ-CG 3.76Å; F408-E412 PolarHBondContact O-N 3.04Å; E412-T414 PolarHBondContact O-N 3.3Å; E412-K415 PolarHBondContact O-N 2.84Å; E412-K415 IonicContact OE1-NZ 3.43Å; E412-K415 PolarHBondContact OE1-NZ 3.34Å; E412-K415 VanDerWaalsContact OE1-NZ 3.13Å; E412-H416 PolarHBondContact O-CD2 2.93Å; E412-H416 PolarHBondContact O-N 3.14Å; E412-H416 IonicContact OE2-CD2 3.1Å; E412-H416 IonicContact OE2-CE1 3.34Å; E412-H416 IonicContact OE2-NE2 2.72Å; E412-H416 PolarHBondContact OE2-NE2 2.9Å
413	L	97.2	Very high	96.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59	-48.1	176	-179.7	69.4	0	0	0	112	I320 I324 F345 L353 L357 F395 T409 K415 H416 V417	I320-L413 HydrophobicContact CD1-CD2 3.74Å; I320-L413 HydrophobicContact CG1-CD2 3.69Å; I324-L413 HydrophobicContact CD1-CD2 4.06Å; I324-L413 HydrophobicContact CD1-CG 3.85Å; F345-L413 HydrophobicContact CE1-CD1 4.11Å; F345-L413 HydrophobicContact CE1-CD2 3.92Å; F345-L413 HydrophobicContact CE1-CG 4.22Å; F345-L413 HydrophobicContact CE2-CD1 4.5Å; F345-L413 HydrophobicContact CZ-CD1 3.96Å; F345-L413 HydrophobicContact CZ-CD2 3.76Å; F345-L413 HydrophobicContact CZ-CG 4.3Å; L353-L413 HydrophobicContact CD1-CD1 4.21Å; L353-L413 HydrophobicContact CD2-CD1 4.18Å; L357-L413 HydrophobicContact CD1-CD1 3.79Å; L357-L413 HydrophobicContact CD2-CB 4.37Å; F395-L413 HydrophobicContact CE1-CD2 4.26Å; F395-L413 HydrophobicContact CZ-CD1 4.3Å; F395-L413 HydrophobicContact CZ-CD2 3.8Å; T409-L413 WeakPolarHBondContact O-CB 3.47Å; T409-L413 PolarHBondContact O-N 2.96Å; L413-K415 VanDerWaalsContact C-N 3.34Å; L413-K415 PolarHBondContact O-N 3.09Å; L413-H416 PolarHBondContact O-N 3.13Å; L413-V417 HydrophobicContact CD1-CG2 3.94Å; L413-V417 HydrophobicContact CG-CG2 4.3Å; L413-V417 WeakPolarHBondContact O-CB 3.34Å; L413-V417 VanDerWaalsContact O-CG2 3.27Å; L413-V417 WeakPolarHBondContact O-CG2 3.3Å; L413-V417 PolarHBondContact O-N 2.9Å
414	T	97.5	Very high	96.3	Very high	26 Å²	26	55.2 Å²	55.2	16%	0.16	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-48.7	179.1	-56.7	0	0	0	0	110.9	K323 I324 V410 A411 E412 Q418	K323-T414 HydrophobicContact CB-CG2 3.93Å; K323-T414 HydrophobicContact CD-CG2 4.44Å; I324-T414 HydrophobicContact CG1-CG2 4.32Å; V410-T414 WeakPolarHBondContact O-CB 3.42Å; V410-T414 PolarHBondContact O-N 2.99Å; V410-T414 PolarHBondContact O-OG1 3.45Å; A411-T414 PolarHBondContact O-N 2.94Å; E412-T414 PolarHBondContact O-N 3.3Å; T414-Q418 WeakPolarHBondContact O-CB 3.48Å; T414-Q418 PolarHBondContact O-N 2.77Å
415	K	97.1	Very high	96	Very high	119 Å²	119	53.3 Å²	53.3	52%	0.517	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-47.5	179.8	173.1	-175.3	166.8	-166.7	0	112.4	A411 E412 L413 R419	A411-K415 WeakPolarHBondContact O-CB 3.2Å; A411-K415 PolarHBondContact O-N 2.74Å; A411-K415 VanDerWaalsContact O-N 3.12Å; E412-K415 PolarHBondContact O-N 2.84Å; E412-K415 IonicContact OE1-NZ 3.43Å; E412-K415 PolarHBondContact OE1-NZ 3.34Å; E412-K415 VanDerWaalsContact OE1-NZ 3.13Å; L413-K415 VanDerWaalsContact C-N 3.34Å; L413-K415 PolarHBondContact O-N 3.09Å; K415-R419 WeakPolarHBondContact O-CB 3.46Å; K415-R419 PolarHBondContact O-N 2.92Å
416	H	96.8	Very high	95.7	Very high	25 Å²	25	55 Å²	55	12%	0.116	27%	0.274	C	S	.	.	H	α-helix	trans	-75.3	-35.9	-176.5	-68.5	-57.9	0	0	0	112.6	L353 A356 E412 L413 R419 L420	L353-H416 HydrophobicContact CD1-CB 4.21Å; A356-H416 HydrophobicContact CB-CB 3.87Å; A356-H416 PolarHBondContact O-NE2 3.21Å; E412-H416 PolarHBondContact O-CD2 2.93Å; E412-H416 PolarHBondContact O-N 3.14Å; E412-H416 IonicContact OE2-CD2 3.1Å; E412-H416 IonicContact OE2-CE1 3.34Å; E412-H416 IonicContact OE2-NE2 2.72Å; E412-H416 PolarHBondContact OE2-NE2 2.9Å; L413-H416 PolarHBondContact O-N 3.13Å; H416-R419 PolarHBondContact O-N 3.01Å; H416-L420 WeakPolarHBondContact O-CB 3.26Å; H416-L420 VanDerWaalsContact O-CG 3.31Å; H416-L420 WeakPolarHBondContact O-CG 3.47Å; H416-L420 PolarHBondContact O-N 2.85Å
417	V	96.9	Very high	95.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-46	172.8	168.4	0	0	0	0	110.7	I324 F345 V348 L353 L413 L420 R421	I324-V417 HydrophobicContact CD1-CB 4.42Å; I324-V417 HydrophobicContact CD1-CG2 4.32Å; I324-V417 HydrophobicContact CG2-CB 4.33Å; I324-V417 HydrophobicContact CG2-CG1 3.56Å; F345-V417 HydrophobicContact CD1-CG2 3.9Å; F345-V417 HydrophobicContact CE1-CG2 4.35Å; F345-V417 HydrophobicContact CG-CG2 4.43Å; V348-V417 HydrophobicContact CG2-CG1 4.11Å; L353-V417 HydrophobicContact CD1-CG2 3.78Å; L353-V417 HydrophobicContact CD2-CG2 4.06Å; L413-V417 HydrophobicContact CD1-CG2 3.94Å; L413-V417 HydrophobicContact CG-CG2 4.3Å; L413-V417 WeakPolarHBondContact O-CB 3.34Å; L413-V417 VanDerWaalsContact O-CG2 3.27Å; L413-V417 WeakPolarHBondContact O-CG2 3.3Å; L413-V417 PolarHBondContact O-N 2.9Å; V417-L420 PolarHBondContact O-N 3.25Å; V417-R421 WeakPolarHBondContact O-CB 3.48Å; V417-R421 WeakPolarHBondContact O-CG 3.39Å; V417-R421 PolarHBondContact O-N 2.75Å
418	Q	95.7	Very high	95.1	Very high	114 Å²	114	60.1 Å²	60.1	53%	0.533	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-48.8	177.2	-176.9	179.7	-14.8	0	0	111.3	T414 L420 R421 E422	T414-Q418 WeakPolarHBondContact O-CB 3.48Å; T414-Q418 PolarHBondContact O-N 2.77Å; Q418-L420 PolarHBondContact O-N 2.95Å; Q418-R421 WeakPolarHBondContact O-CB 3.41Å; Q418-R421 PolarHBondContact O-N 2.88Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.21Å; Q418-E422 PolarHBondContact NE2-OE1 2.88Å; Q418-E422 VanDerWaalsContact NE2-OE1 3.12Å; Q418-E422 WeakPolarHBondContact O-CG 3.33Å; Q418-E422 PolarHBondContact O-N 3.09Å
419	R	95.9	Very high	94.8	Very high	159 Å²	159	58.6 Å²	58.6	60%	0.6	29%	0.288	S	S	*	.	H	α-helix	trans	-60	-43.1	178.9	179.9	179.7	172.9	147.5	1.1	112.9	K415 H416 R421 E422 M423	K415-R419 WeakPolarHBondContact O-CB 3.46Å; K415-R419 PolarHBondContact O-N 2.92Å; H416-R419 PolarHBondContact O-N 3.01Å; R419-R421 VanDerWaalsContact C-N 3.32Å; R419-E422 PolarHBondContact O-N 3.45Å; R419-M423 PolarHBondContact O-N 3.14Å
420	L	95.6	Very high	94.5	Very high	33 Å²	33	60 Å²	60	17%	0.173	30%	0.297	C	S	.	.	H	α-helix	trans	-68.7	-34.3	179.1	-72.6	169.5	0	0	0	111.5	V348 L353 A356 H416 V417 Q418 M423 S424	V348-L420 HydrophobicContact CG1-CB 3.89Å; V348-L420 HydrophobicContact CG1-CD1 3.63Å; V348-L420 HydrophobicContact CG1-CG 4.39Å; V348-L420 HydrophobicContact CG2-CB 4.37Å; L353-L420 HydrophobicContact CB-CD1 3.99Å; L353-L420 HydrophobicContact CD1-CD1 4.02Å; A356-L420 HydrophobicContact CB-CD1 4.48Å; H416-L420 WeakPolarHBondContact O-CB 3.26Å; H416-L420 VanDerWaalsContact O-CG 3.31Å; H416-L420 WeakPolarHBondContact O-CG 3.47Å; H416-L420 PolarHBondContact O-N 2.85Å; V417-L420 PolarHBondContact O-N 3.25Å; Q418-L420 PolarHBondContact O-N 2.95Å; L420-M423 PolarHBondContact O-N 3.45Å; L420-S424 WeakPolarHBondContact O-CB 3.4Å; L420-S424 PolarHBondContact O-N 3.49Å
421	R	95.3	Very high	94	Very high	11 Å²	11	63.7 Å²	63.7	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-66.9	-38.4	173.1	-80.5	179.7	175.8	169.8	0.8	113.1	Q325 H326 A346 V348 V417 Q418 R419 M423 S424 W427	Q325-R421 PolarHBondContact O-NH1 3.02Å; Q325-R421 PolarHBondContact O-NH2 3.18Å; H326-R421 PolarHBondContact O-NH2 3.02Å; A346-R421 PolarHBondContact O-NE 3.35Å; A346-R421 VanDerWaalsContact O-NE 3.1Å; A346-R421 PolarHBondContact O-NH2 3.04Å; V348-R421 HydrophobicContact CG2-CG 3.64Å; V417-R421 WeakPolarHBondContact O-CB 3.48Å; V417-R421 WeakPolarHBondContact O-CG 3.39Å; V417-R421 PolarHBondContact O-N 2.75Å; Q418-R421 WeakPolarHBondContact O-CB 3.41Å; Q418-R421 PolarHBondContact O-N 2.88Å; R419-R421 VanDerWaalsContact C-N 3.32Å; R421-M423 PolarHBondContact O-N 3.03Å; R421-M423 VanDerWaalsContact O-N 3.14Å; R421-S424 WeakPolarHBondContact O-CB 3Å; R421-S424 PolarHBondContact O-N 3.38Å; R421-W427 HydrophobicContact CB-CB 4.11Å; R421-W427 HydrophobicContact CB-CD2 3.88Å; R421-W427 HydrophobicContact CB-CG 3.6Å; R421-W427 HydrophobicContact CG-CB 4.3Å; R421-W427 HydrophobicContact CG-CD2 3.9Å; R421-W427 HydrophobicContact CG-CE3 4.18Å; R421-W427 HydrophobicContact CG-CG 3.96Å; R421-W427 WeakPolarHBondContact O-CB 3.48Å; R421-W427 VanDerWaalsContact O-CD1 3.29Å
422	E	94.1	Very high	93.7	Very high	132 Å²	132	67.7 Å²	67.7	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-60.1	-21.6	173.1	-72.3	166.4	-172.7	0	0	112.8	Q418 R419	Q418-E422 WeakPolarHBondContact CG-OE1 3.21Å; Q418-E422 PolarHBondContact NE2-OE1 2.88Å; Q418-E422 VanDerWaalsContact NE2-OE1 3.12Å; Q418-E422 WeakPolarHBondContact O-CG 3.33Å; Q418-E422 PolarHBondContact O-N 3.09Å; R419-E422 PolarHBondContact O-N 3.45Å
423	M	91.9	Very high	93.3	Very high	134 Å²	134	69.6 Å²	69.6	66%	0.66	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-1.9	176.3	-64.9	175.4	43.6	0	0	113.7	R419 L420 R421 P425	R419-M423 PolarHBondContact O-N 3.14Å; L420-M423 PolarHBondContact O-N 3.45Å; R421-M423 PolarHBondContact O-N 3.03Å; R421-M423 VanDerWaalsContact O-N 3.14Å; M423-P425 WeakPolarHBondContact O-CD 3.45Å
424	S	92	Very high	92.8	Very high	19 Å²	19	72.7 Å²	72.7	13%	0.133	38%	0.375	C	S	.	.			trans	-97.2	116.8	-171.4	179.4	0	0	0	0	110.9	Y347 L420 R421 L426 W427 E428	Y347-S424 VanDerWaalsContact O-CB 3.29Å; Y347-S424 WeakPolarHBondContact O-CB 3.35Å; Y347-S424 PolarHBondContact O-OG 3.21Å; L420-S424 WeakPolarHBondContact O-CB 3.4Å; L420-S424 PolarHBondContact O-N 3.49Å; R421-S424 WeakPolarHBondContact O-CB 3Å; R421-S424 PolarHBondContact O-N 3.38Å; S424-L426 PolarHBondContact O-N 3.45Å; S424-W427 WeakPolarHBondContact O-CB 3.26Å; S424-W427 PolarHBondContact O-N 3.19Å; S424-E428 PolarHBondContact O-N 2.94Å; S424-E428 VanDerWaalsContact O-N 3.17Å
425	P	90.9	Very high	92.1	Very high	90 Å²	90	76.1 Å²	76.1	58%	0.584	39%	0.393	S	S	*	.	H	α-helix	trans	-59.6	-32.3	176.3	-22.4	32.4	0	0	0	112.7	M423 W427 E428 M429	M423-P425 WeakPolarHBondContact O-CD 3.45Å; P425-W427 VanDerWaalsContact C-N 3.31Å; P425-W427 PolarHBondContact O-N 2.85Å; P425-E428 PolarHBondContact O-N 3.25Å; P425-M429 WeakPolarHBondContact O-CG 3.42Å; P425-M429 PolarHBondContact O-N 3.49Å; P425-M429 VanDerWaalsContact O-N 3.08Å
426	L	90.8	Very high	91.4	Very high	53 Å²	53	72 Å²	72	28%	0.277	38%	0.375	S	S	.	.	H	α-helix	trans	-65.4	-36.1	176.6	-62.6	175.3	0	0	0	111.6	Y347 S424 V430 I436 W441	Y347-L426 HydrophobicContact CD1-CB 4.11Å; S424-L426 PolarHBondContact O-N 3.45Å; L426-V430 WeakPolarHBondContact O-CG2 3Å; L426-V430 PolarHBondContact O-N 3.34Å; L426-V430 VanDerWaalsContact O-N 3.17Å; L426-I436 HydrophobicContact CD2-CG2 3.86Å; L426-W441 HydrophobicContact CD2-CH2 3.48Å; L426-W441 VanDerWaalsContact CD2-CH2 3.48Å; L426-W441 HydrophobicContact CD2-CZ2 3.59Å
427	W	92.1	Very high	90.7	Very high	50 Å²	50	77.9 Å²	77.9	19%	0.189	40%	0.401	C	S	.	.	H	α-helix	trans	-71.6	-39.4	177.4	-178.5	-107.1	0	0	0	112.1	Q325 H326 Y347 R421 S424 P425 V430 S431	Q325-W427 HydrophobicContact CB-CH2 4.48Å; H326-W427 AromaticContact CD2-CH2 3.75Å; H326-W427 AromaticContact CD2-CZ3 3.52Å; Y347-W427 AromaticContact CD2-CE3 3.26Å; Y347-W427 HydrophobicContact CD2-CE3 3.26Å; Y347-W427 AromaticContact CD2-CZ3 3.51Å; Y347-W427 HydrophobicContact CD2-CZ3 3.51Å; Y347-W427 AromaticContact CE2-CE3 3.95Å; Y347-W427 HydrophobicContact CE2-CE3 3.95Å; Y347-W427 AromaticContact CE2-CZ3 3.86Å; Y347-W427 HydrophobicContact CE2-CZ3 3.86Å; Y347-W427 AromaticContact CG-CE3 3.91Å; Y347-W427 HydrophobicContact CG-CE3 3.91Å; R421-W427 HydrophobicContact CB-CB 4.11Å; R421-W427 HydrophobicContact CB-CD2 3.88Å; R421-W427 HydrophobicContact CB-CG 3.6Å; R421-W427 HydrophobicContact CG-CB 4.3Å; R421-W427 HydrophobicContact CG-CD2 3.9Å; R421-W427 HydrophobicContact CG-CE3 4.18Å; R421-W427 HydrophobicContact CG-CG 3.96Å; R421-W427 WeakPolarHBondContact O-CB 3.48Å; R421-W427 VanDerWaalsContact O-CD1 3.29Å; S424-W427 WeakPolarHBondContact O-CB 3.26Å; S424-W427 PolarHBondContact O-N 3.19Å; P425-W427 VanDerWaalsContact C-N 3.31Å; P425-W427 PolarHBondContact O-N 2.85Å; W427-V430 PolarHBondContact O-N 2.67Å; W427-S431 PolarHBondContact NE1-OG 3.47Å; W427-S431 VanDerWaalsContact O-CB 3.29Å; W427-S431 WeakPolarHBondContact O-CB 3.43Å; W427-S431 PolarHBondContact O-N 3.48Å; W427-S431 PolarHBondContact O-OG 3.28Å
428	E	91	Very high	89.8	Confident	124 Å²	124	81.9 Å²	81.9	58%	0.579	43%	0.429	S	S	*	.	H	α-helix	trans	-58.4	-51.1	174.4	-173.7	174.1	-153.9	0	0	110.5	S424 P425 V430 S431 E432	S424-E428 PolarHBondContact O-N 2.94Å; S424-E428 VanDerWaalsContact O-N 3.17Å; P425-E428 PolarHBondContact O-N 3.25Å; E428-V430 PolarHBondContact O-N 3.39Å; E428-S431 WeakPolarHBondContact O-CB 3.42Å; E428-S431 PolarHBondContact O-N 3.1Å; E428-S431 VanDerWaalsContact O-N 3.14Å; E428-E432 WeakPolarHBondContact O-CG 3.38Å; E428-E432 PolarHBondContact O-N 2.72Å
429	M	91.1	Very high	89	Confident	58 Å²	58	78.6 Å²	78.6	29%	0.286	42%	0.415	S	S	.	.	H	α-helix	trans	-55.4	-47.6	176.7	-73.6	176.3	150.5	0	0	113	P425 S431 E432 G433 I434 I439	P425-M429 WeakPolarHBondContact O-CG 3.42Å; P425-M429 PolarHBondContact O-N 3.49Å; P425-M429 VanDerWaalsContact O-N 3.08Å; M429-S431 VanDerWaalsContact C-N 3.34Å; M429-S431 PolarHBondContact O-N 2.79Å; M429-E432 PolarHBondContact O-N 2.7Å; M429-G433 PolarHBondContact O-N 2.95Å; M429-I434 HydrophobicContact CB-CB 4.16Å; M429-I434 HydrophobicContact CB-CD1 4.32Å; M429-I434 HydrophobicContact CG-CD1 4.25Å; M429-I434 VanDerWaalsContact O-CB 3.28Å; M429-I434 WeakPolarHBondContact O-CB 3.31Å; M429-I434 PolarHBondContact O-N 3.45Å; M429-I439 HydrophobicContact CE-CD1 3.63Å; M429-I439 HydrophobicContact SD-CD1 3.41Å; M429-I439 WeakPolarHBondContact SD-CD1 3.32Å
430	V	90.7	Very high	88	Confident	30 Å²	30	80.3 Å²	80.3	18%	0.182	43%	0.43	C	S	.	.	H	α-helix	trans	-67.1	-37.3	179.2	171.9	0	0	0	0	111.7	Y347 L426 W427 E428 E432 G433 I436	Y347-V430 HydrophobicContact CD1-CG2 4.39Å; Y347-V430 HydrophobicContact CE1-CG2 3.83Å; Y347-V430 HydrophobicContact CE2-CG1 4.24Å; Y347-V430 HydrophobicContact CE2-CG2 4.38Å; L426-V430 WeakPolarHBondContact O-CG2 3Å; L426-V430 PolarHBondContact O-N 3.34Å; L426-V430 VanDerWaalsContact O-N 3.17Å; W427-V430 PolarHBondContact O-N 2.67Å; E428-V430 PolarHBondContact O-N 3.39Å; V430-E432 PolarHBondContact O-N 3.2Å; V430-G433 PolarHBondContact O-N 3.19Å; V430-I436 HydrophobicContact CG2-CD1 3.16Å; V430-I436 HydrophobicContact CG2-CG1 3.47Å; V430-I436 VanDerWaalsContact CG2-CG1 3.47Å
431	S	88.1	Confident	86.9	Confident	80 Å²	80	85.9 Å²	85.9	56%	0.559	45%	0.448	S	S	*	.	H	α-helix	trans	-65.4	-28.9	177.1	-59.7	0	0	0	0	112	W427 E428 M429 G433	W427-S431 PolarHBondContact NE1-OG 3.47Å; W427-S431 VanDerWaalsContact O-CB 3.29Å; W427-S431 WeakPolarHBondContact O-CB 3.43Å; W427-S431 PolarHBondContact O-N 3.48Å; W427-S431 PolarHBondContact O-OG 3.28Å; E428-S431 WeakPolarHBondContact O-CB 3.42Å; E428-S431 PolarHBondContact O-N 3.1Å; E428-S431 VanDerWaalsContact O-N 3.14Å; M429-S431 VanDerWaalsContact C-N 3.34Å; M429-S431 PolarHBondContact O-N 2.79Å; S431-G433 VanDerWaalsContact C-N 3.3Å
432	E	91.4	Very high	85.2	Confident	136 Å²	136	91 Å²	91	64%	0.636	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.3	171.9	-66.9	-177.4	166.2	0	0	113.7	E428 M429 V430 I434	E428-E432 WeakPolarHBondContact O-CG 3.38Å; E428-E432 PolarHBondContact O-N 2.72Å; M429-E432 PolarHBondContact O-N 2.7Å; V430-E432 PolarHBondContact O-N 3.2Å; E432-I434 HydrophobicContact CB-CG1 4.42Å
433	G	88.1	Confident	83.1	Confident	67 Å²	67	94 Å²	94	69%	0.691	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	15.8	179.7	0	0	0	0	0	114.8	M429 V430 S431	M429-G433 PolarHBondContact O-N 2.95Å; V430-G433 PolarHBondContact O-N 3.19Å; S431-G433 VanDerWaalsContact C-N 3.3Å
434	I	85.2	Confident	80.4	Confident	65 Å²	65	99.4 Å²	99.4	33%	0.333	52%	0.518	S	S	.	.			trans	-78.4	126.7	176.3	-57.3	174.1	0	0	0	109.4	M429 E432 I436 I439	M429-I434 HydrophobicContact CB-CB 4.16Å; M429-I434 HydrophobicContact CB-CD1 4.32Å; M429-I434 HydrophobicContact CG-CD1 4.25Å; M429-I434 VanDerWaalsContact O-CB 3.28Å; M429-I434 WeakPolarHBondContact O-CB 3.31Å; M429-I434 PolarHBondContact O-N 3.45Å; E432-I434 HydrophobicContact CB-CG1 4.42Å; I434-I436 PolarHBondContact O-N 3.11Å; I434-I439 HydrophobicContact CG2-CD1 4.11Å; I434-I439 HydrophobicContact CG2-CG1 4.43Å
435	D	84	Confident	79.8	Confident	98 Å²	98	103.5 Å²	103.5	52%	0.524	54%	0.538	S	S	.	.			trans	-76	108.5	170.9	-176.3	-0.9	0	0	0	110.1	K437 S438	D435-K437 PolarHBondContact O-N 3.48Å; D435-K437 VanDerWaalsContact O-N 3.15Å; D435-K437 WeakPolarHBondContact OD1-CB 3.45Å; D435-K437 PolarHBondContact OD1-N 3.05Å; D435-S438 WeakPolarHBondContact O-CB 3.44Å; D435-S438 PolarHBondContact O-N 3.07Å; D435-S438 PolarHBondContact O-OG 3.08Å
436	I	82.2	Confident	79.3	Confident	31 Å²	31	104.2 Å²	104.2	16%	0.159	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-59.6	-27.9	-179.1	-45.8	161.9	0	0	0	111.6	Y347 L426 V430 I434 S438 I439 W441	Y347-I436 HydrophobicContact CD1-CD1 3.8Å; Y347-I436 HydrophobicContact CE1-CD1 3.21Å; L426-I436 HydrophobicContact CD2-CG2 3.86Å; V430-I436 HydrophobicContact CG2-CD1 3.16Å; V430-I436 HydrophobicContact CG2-CG1 3.47Å; V430-I436 VanDerWaalsContact CG2-CG1 3.47Å; I434-I436 PolarHBondContact O-N 3.11Å; I436-S438 PolarHBondContact O-N 3Å; I436-I439 HydrophobicContact CG2-CD1 4.4Å; I436-I439 PolarHBondContact O-N 2.82Å; I436-W441 HydrophobicContact CG2-CZ2 3.67Å
437	K	81.1	Confident	78.6	Confident	149 Å²	149	107 Å²	107	65%	0.648	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-70.7	-15.1	177.8	-64	-171	173.6	-169.5	0	112.9	E385 D435	E385-K437 IonicContact OE1-NZ 3.96Å; E385-K437 PolarHBondContact OE1-NZ 3.43Å; E385-K437 IonicContact OE2-NZ 3.97Å; D435-K437 PolarHBondContact O-N 3.48Å; D435-K437 VanDerWaalsContact O-N 3.15Å; D435-K437 WeakPolarHBondContact OD1-CB 3.45Å; D435-K437 PolarHBondContact OD1-N 3.05Å
438	S	79.1	Confident	77.8	Confident	86 Å²	86	110.4 Å²	110.4	60%	0.601	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-86.2	-10.3	175.4	74.7	0	0	0	0	113.6	D435 I436	D435-S438 WeakPolarHBondContact O-CB 3.44Å; D435-S438 PolarHBondContact O-N 3.07Å; D435-S438 PolarHBondContact O-OG 3.08Å; I436-S438 PolarHBondContact O-N 3Å
439	I	78.9	Confident	77	Confident	46 Å²	46	109.5 Å²	109.5	24%	0.236	57%	0.57	C	S	.	*	S	Bend	trans	-82.4	126.5	-177.4	-57.9	178	0	0	0	109.6	M429 I434 I436 W441	M429-I439 HydrophobicContact CE-CD1 3.63Å; M429-I439 HydrophobicContact SD-CD1 3.41Å; M429-I439 WeakPolarHBondContact SD-CD1 3.32Å; I434-I439 HydrophobicContact CG2-CD1 4.11Å; I434-I439 HydrophobicContact CG2-CG1 4.43Å; I436-I439 HydrophobicContact CG2-CD1 4.4Å; I436-I439 PolarHBondContact O-N 2.82Å; I439-W441 HydrophobicContact CB-CZ2 4.34Å; I439-W441 HydrophobicContact CD1-CZ2 4.26Å; I439-W441 HydrophobicContact CG2-CD2 4.29Å; I439-W441 HydrophobicContact CG2-CZ2 4.11Å; I439-W441 PolarHBondContact O-N 3.25Å
440	Q	73.5	Confident	76.1	Confident	195 Å²	195	112.9 Å²	112.9	91%	0.911	59%	0.589	S	S	*	*			trans	-77.5	98.8	170.5	-78.5	-169.2	-15.6	0	0	110.2
441	W	74.4	Confident	75	Confident	149 Å²	149	118.9 Å²	118.9	56%	0.564	62%	0.618	S	S	*	*			trans	-74.4	130.2	172.9	-60.7	94.5	0	0	0	110.4	L426 I436 I439 Q443	L426-W441 HydrophobicContact CD2-CH2 3.48Å; L426-W441 VanDerWaalsContact CD2-CH2 3.48Å; L426-W441 HydrophobicContact CD2-CZ2 3.59Å; I436-W441 HydrophobicContact CG2-CZ2 3.67Å; I439-W441 HydrophobicContact CB-CZ2 4.34Å; I439-W441 HydrophobicContact CD1-CZ2 4.26Å; I439-W441 HydrophobicContact CG2-CD2 4.29Å; I439-W441 HydrophobicContact CG2-CZ2 4.11Å; I439-W441 PolarHBondContact O-N 3.25Å; W441-Q443 PolarHBondContact O-N 2.81Å; W441-Q443 VanDerWaalsContact O-N 3.14Å
442	T	57.9	Low	74	Confident	120 Å²	120	121.8 Å²	121.8	74%	0.736	62%	0.623	S	S	*	*			trans	-68.1	107.7	168.1	27.8	0	0	0	0	109.1	H444	T442-H444 PolarHBondContact O-N 3.07Å
443	Q	50.6	Low	72.6	Confident	195 Å²	195	120.7 Å²	120.7	91%	0.911	62%	0.622	S	S	*	*			trans	-66	119.2	167.5	-76.9	-176.3	-19	0	0	108.5	W441	W441-Q443 PolarHBondContact O-N 2.81Å; W441-Q443 VanDerWaalsContact O-N 3.14Å
444	H	35.7	Very low	71.1	Confident	247 Å²	247	125.5 Å²	125.5	100%	1.144	62%	0.615	S	S	*	*			trans	-87.1	0	172.7	-84.9	-54.2	0	0	0	111.9	T442	T442-H444 PolarHBondContact O-N 3.07Å

Retrieved 444 of 444 residues in 183.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).