A0A077Z6K5_TRITR Loading...

P proprotein and Peptidase S8 domain containing p rotein

AlphaFold DB , UniProt , Accession A0A077Z6K5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 649 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	81.2	Confident	93.8	Very high	128 Å²	128	60.5 Å²	60.5	63%	0.631	32%	0.324	S	S	*	.				0	155.7	0	-68	-170.5	-72.7	0	0	108.4	S3 D11 N72 H75	M1-S3 VanDerWaalsContact C-N 3.26Å; M1-D11 HydrophobicContact CE-CB 3.81Å; M1-D11 VanDerWaalsContact CE-CG 3.47Å; M1-N72 PolarHBondContact N-ND2 2.83Å; M1-N72 WeakPolarHBondContact O-CB 3.31Å; M1-N72 PolarHBondContact O-ND2 3.21Å; M1-H75 VanDerWaalsContact C-CD2 3.49Å
2	A	92.6	Very high	94	Very high	27 Å²	27	63.4 Å²	63.4	22%	0.223	34%	0.34	C	S	.	.			trans	-90.7	12.6	178.2	0	0	0	0	0	112.8	I76	A2-I76 HydrophobicContact CB-CD1 4.28Å; A2-I76 HydrophobicContact CB-CG1 3.99Å
3	S	97.5	Very high	94.1	Very high	28 Å²	28	61.1 Å²	61.1	20%	0.196	33%	0.33	C	S	.	.			trans	-139.5	146.8	-169.9	-61.9	0	0	0	0	110.9	M1 G51 G52	M1-S3 VanDerWaalsContact C-N 3.26Å; S3-G51 WeakPolarHBondContact OG-CA 3.43Å; S3-G52 WeakPolarHBondContact CA-O 3.45Å; S3-G52 WeakPolarHBondContact CB-O 3.43Å; S3-G52 PolarHBondContact OG-N 3.45Å
4	Y	97.8	Very high	94.1	Very high	57 Å²	57	66.3 Å²	66.3	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	148.6	177.4	-164.6	-103.2	0	0	0	109.9	V6 N9 D10 D11 G52 V53 R54 L71	Y4-V6 HydrophobicContact CD1-CG2 3.8Å; Y4-V6 HydrophobicContact CE1-CG2 4.41Å; Y4-N9 PolarHBondContact OH-OD1 2.81Å; Y4-D10 VanDerWaalsContact CD2-O 3.26Å; Y4-D10 WeakPolarHBondContact CD2-O 2.99Å; Y4-D10 WeakPolarHBondContact CE2-O 3.49Å; Y4-D11 WeakPolarHBondContact CD2-OD1 3.31Å; Y4-D11 WeakPolarHBondContact CE2-OD1 3.49Å; Y4-G52 PolarHBondContact N-O 2.96Å; Y4-V53 VanDerWaalsContact O-CA 3.27Å; Y4-V53 WeakPolarHBondContact O-CA 3.28Å; Y4-R54 PolarHBondContact O-N 2.96Å; Y4-L71 HydrophobicContact CG-CD1 4.22Å
5	D	96.5	Very high	94	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	104.1	169.3	-163.6	-41.1	0	0	0	109.9	N7 D8 N9 D10 R54	D5-N7 WeakPolarHBondContact OD1-CA 3.29Å; D5-N7 WeakPolarHBondContact OD1-CB 3.16Å; D5-N7 PolarHBondContact OD1-N 3.19Å; D5-D8 PolarHBondContact OD1-N 3.29Å; D5-N9 WeakPolarHBondContact O-CA 3.04Å; D5-N9 PolarHBondContact O-N 3.38Å; D5-D10 WeakPolarHBondContact CA-O 3.34Å; D5-D10 WeakPolarHBondContact CB-O 3.5Å; D5-D10 PolarHBondContact N-O 3.14Å; D5-D10 PolarHBondContact O-N 3.4Å; D5-R54 HydrophobicContact CB-CB 4.41Å; D5-R54 VanDerWaalsContact CG-NH1 3.31Å; D5-R54 IonicContact OD1-NH1 2.89Å; D5-R54 PolarHBondContact OD1-NH1 2.91Å; D5-R54 VanDerWaalsContact OD2-CD 3.22Å; D5-R54 WeakPolarHBondContact OD2-CD 3.46Å; D5-R54 IonicContact OD2-CZ 2.84Å; D5-R54 IonicContact OD2-NE 3.28Å; D5-R54 IonicContact OD2-NH1 2.79Å; D5-R54 PolarHBondContact OD2-NH1 3.38Å
6	V	95.2	Very high	93.6	Very high	25 Å²	25	66.5 Å²	66.5	15%	0.152	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-25.2	178.1	-174	0	0	0	0	110.9	Y4 V53 R54 M55 V64 A67	Y4-V6 HydrophobicContact CD1-CG2 3.8Å; Y4-V6 HydrophobicContact CE1-CG2 4.41Å; V6-V53 HydrophobicContact CG2-CG1 3.73Å; V6-R54 PolarHBondContact N-O 2.89Å; V6-M55 HydrophobicContact CB-CB 4.18Å; V6-M55 HydrophobicContact CG2-CB 4.45Å; V6-V64 HydrophobicContact CG1-CB 4.27Å; V6-V64 HydrophobicContact CG1-CG1 3.84Å; V6-V64 HydrophobicContact CG1-CG2 4.3Å; V6-A67 HydrophobicContact CG1-CB 4.23Å
7	N	91.5	Very high	92.8	Very high	37 Å²	37	68.8 Å²	68.8	20%	0.198	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-45.6	-179.1	-68	122.1	0	0	0	111.6	D5 R54 M55 L56 D57	D5-N7 WeakPolarHBondContact OD1-CA 3.29Å; D5-N7 WeakPolarHBondContact OD1-CB 3.16Å; D5-N7 PolarHBondContact OD1-N 3.19Å; N7-R54 PolarHBondContact N-O 3.4Å; N7-R54 PolarHBondContact OD1-O 3.17Å; N7-M55 PolarHBondContact ND2-O 2.02Å; N7-M55 VanDerWaalsContact ND2-O 3.07Å; N7-M55 WeakPolarHBondContact OD1-CA 3.28Å; N7-M55 PolarHBondContact OD1-N 2.87Å; N7-M55 VanDerWaalsContact OD1-N 3.12Å; N7-M55 PolarHBondContact OD1-O 3.28Å; N7-L56 PolarHBondContact OD1-N 3.37Å; N7-D57 PolarHBondContact OD1-N 2.65Å
8	D	94	Very high	92.1	Very high	79 Å²	79	68.9 Å²	68.9	42%	0.422	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-3.8	-178.3	-68.6	-28.4	0	0	0	113	D5 R16 R54	D5-D8 PolarHBondContact OD1-N 3.29Å; D8-R16 VanDerWaalsContact CG-NH2 3.25Å; D8-R16 IonicContact OD1-NH2 3.81Å; D8-R16 PolarHBondContact OD1-NH2 3.28Å; D8-R16 IonicContact OD2-CZ 3.16Å; D8-R16 IonicContact OD2-NE 2.65Å; D8-R16 IonicContact OD2-NH2 3.71Å; D8-R16 PolarHBondContact OD2-NH2 2.97Å; D8-R54 IonicContact OD2-CZ 3.1Å; D8-R54 IonicContact OD2-NH1 3.88Å; D8-R54 PolarHBondContact OD2-NH1 2.78Å; D8-R54 IonicContact OD2-NH2 3.63Å; D8-R54 PolarHBondContact OD2-NH2 3.02Å
9	N	94	Very high	91.2	Very high	118 Å²	118	71.4 Å²	71.4	63%	0.631	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	54	175.9	-171.1	69.8	0	0	0	113.1	Y4 D5	Y4-N9 PolarHBondContact OH-OD1 2.81Å; D5-N9 WeakPolarHBondContact O-CA 3.04Å; D5-N9 PolarHBondContact O-N 3.38Å
10	D	96	Very high	90.8	Very high	64 Å²	64	74.2 Å²	74.2	34%	0.342	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-142.8	176.9	175.9	69.2	72.3	0	0	0	111.8	Y4 D5 D12	Y4-D10 VanDerWaalsContact CD2-O 3.26Å; Y4-D10 WeakPolarHBondContact CD2-O 2.99Å; Y4-D10 WeakPolarHBondContact CE2-O 3.49Å; D5-D10 WeakPolarHBondContact CA-O 3.34Å; D5-D10 WeakPolarHBondContact CB-O 3.5Å; D5-D10 PolarHBondContact N-O 3.14Å; D5-D10 PolarHBondContact O-N 3.4Å; D10-D12 WeakPolarHBondContact OD1-CA 3.49Å; D10-D12 PolarHBondContact OD1-N 3.17Å
11	D	95.6	Very high	90.7	Very high	99 Å²	99	72.4 Å²	72.4	53%	0.529	37%	0.373	S	S	.	.	S	Bend	trans	-87.3	-2.7	-173.9	-72.4	-40.2	0	0	0	114.1	M1 Y4 P13	M1-D11 HydrophobicContact CE-CB 3.81Å; M1-D11 VanDerWaalsContact CE-CG 3.47Å; Y4-D11 WeakPolarHBondContact CD2-OD1 3.31Å; Y4-D11 WeakPolarHBondContact CE2-OD1 3.49Å; D11-P13 WeakPolarHBondContact O-CD 2.88Å
12	D	96	Very high	91.2	Very high	96 Å²	96	70.1 Å²	70.1	51%	0.513	36%	0.36	S	S	.	.			trans	-107.2	100.1	-174.5	-174.4	11.5	0	0	0	112.1	D10 Y14	D10-D12 WeakPolarHBondContact OD1-CA 3.49Å; D10-D12 PolarHBondContact OD1-N 3.17Å; D12-Y14 PolarHBondContact O-N 2.8Å; D12-Y14 WeakPolarHBondContact OD1-CB 3.43Å; D12-Y14 PolarHBondContact OD1-N 2.79Å
13	P	95.5	Very high	91.3	Very high	33 Å²	33	72 Å²	72	21%	0.214	36%	0.364	C	S	.	.			trans	-76.5	21.6	-179.9	39.4	-43.3	0	0	0	113.2	D11 P15 G52 R54	D11-P13 WeakPolarHBondContact O-CD 2.88Å; P13-P15 WeakPolarHBondContact O-CD 3.24Å; P13-G52 VanDerWaalsContact CB-O 3.25Å; P13-G52 WeakPolarHBondContact CB-O 3.49Å; P13-G52 WeakPolarHBondContact CG-O 3.46Å; P13-R54 HydrophobicContact CB-CB 4.17Å
14	Y	94.2	Very high	91.2	Very high	134 Å²	134	73 Å²	73	53%	0.525	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-57.1	123.8	-176	-166.1	-88.5	0	0	0	110.5	D12 R16 M185	D12-Y14 PolarHBondContact O-N 2.8Å; D12-Y14 WeakPolarHBondContact OD1-CB 3.43Å; D12-Y14 PolarHBondContact OD1-N 2.79Å; Y14-R16 PolarHBondContact O-N 2.91Å; Y14-M185 HydrophobicContact CE1-CE 4.27Å
15	P	92.3	Very high	91.1	Very high	24 Å²	24	72 Å²	72	16%	0.156	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-64.9	137.7	-177.7	-19.7	30.4	0	0	0	111.9	P13 N17 N21 M185	P13-P15 WeakPolarHBondContact O-CD 3.24Å; P15-N17 PolarHBondContact O-N 2.87Å; P15-N21 HydrophobicContact CB-CB 3.92Å; P15-N21 WeakPolarHBondContact CB-O 3.47Å; P15-M185 HydrophobicContact CB-CE 4.11Å; P15-M185 HydrophobicContact CG-CE 3.95Å; P15-M185 HydrophobicContact CG-CG 4.44Å
16	R	87.6	Confident	91.1	Very high	112 Å²	112	73.1 Å²	73.1	42%	0.423	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-60.9	126.3	167.6	-68.1	-174.3	-176.9	152.6	5.1	109.1	D8 Y14 N18 D57	D8-R16 VanDerWaalsContact CG-NH2 3.25Å; D8-R16 IonicContact OD1-NH2 3.81Å; D8-R16 PolarHBondContact OD1-NH2 3.28Å; D8-R16 IonicContact OD2-CZ 3.16Å; D8-R16 IonicContact OD2-NE 2.65Å; D8-R16 IonicContact OD2-NH2 3.71Å; D8-R16 PolarHBondContact OD2-NH2 2.97Å; Y14-R16 PolarHBondContact O-N 2.91Å; R16-N18 VanDerWaalsContact C-N 3.29Å; R16-N18 PolarHBondContact O-N 2.92Å; R16-N18 PolarHBondContact O-OD1 3.08Å; R16-N18 VanDerWaalsContact O-OD1 3.08Å; R16-D57 VanDerWaalsContact CD-OD2 3.31Å; R16-D57 WeakPolarHBondContact CD-OD2 3.37Å; R16-D57 WeakPolarHBondContact CG-OD2 3.27Å; R16-D57 IonicContact NE-OD2 3.49Å
17	N	80.3	Confident	91.2	Very high	106 Å²	106	72.8 Å²	72.8	57%	0.567	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	73.2	-174.9	-169.5	13	0	0	0	112	P15	P15-N17 PolarHBondContact O-N 2.87Å
18	N	80.2	Confident	91.4	Very high	70 Å²	70	72.4 Å²	72.4	37%	0.374	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	16.3	-176.9	65.6	-4.9	0	0	0	113.5	R16 D20 N21	R16-N18 VanDerWaalsContact C-N 3.29Å; R16-N18 PolarHBondContact O-N 2.92Å; R16-N18 PolarHBondContact O-OD1 3.08Å; R16-N18 VanDerWaalsContact O-OD1 3.08Å; N18-D20 PolarHBondContact O-N 2.77Å; N18-D20 VanDerWaalsContact O-N 3.08Å; N18-D20 PolarHBondContact OD1-N 3.03Å; N18-N21 PolarHBondContact ND2-ND2 2.98Å; N18-N21 PolarHBondContact OD1-N 2.99Å; N18-N21 PolarHBondContact OD1-ND2 2.8Å
19	N	75.6	Confident	91.5	Very high	116 Å²	116	68.9 Å²	68.9	62%	0.62	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	-13.6	-173.4	-70	-25.5	0	0	0	117.4
20	D	83	Confident	91.6	Very high	127 Å²	127	63.7 Å²	63.7	68%	0.679	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-37.1	179.6	-63.1	-30.7	0	0	0	111.4	N18 K22	N18-D20 PolarHBondContact O-N 2.77Å; N18-D20 VanDerWaalsContact O-N 3.08Å; N18-D20 PolarHBondContact OD1-N 3.03Å; D20-K22 PolarHBondContact O-N 2.67Å
21	N	88.9	Confident	91.6	Very high	38 Å²	38	61 Å²	61	20%	0.203	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	32.1	-173.3	-65.8	-53.8	0	0	0	115.4	P15 N18 D57	P15-N21 HydrophobicContact CB-CB 3.92Å; P15-N21 WeakPolarHBondContact CB-O 3.47Å; N18-N21 PolarHBondContact ND2-ND2 2.98Å; N18-N21 PolarHBondContact OD1-N 2.99Å; N18-N21 PolarHBondContact OD1-ND2 2.8Å; N21-D57 PolarHBondContact ND2-OD1 2.91Å; N21-D57 VanDerWaalsContact ND2-OD1 3.08Å; N21-D57 PolarHBondContact ND2-OD2 3.16Å; N21-D57 PolarHBondContact OD1-OD1 2.9Å
22	K	91.3	Very high	91.6	Very high	80 Å²	80	56.7 Å²	56.7	35%	0.348	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-17.9	178.1	66	-165.3	176.6	-160.1	0	114.3	D20 G24 T25 R26 M185	D20-K22 PolarHBondContact O-N 2.67Å; K22-G24 PolarHBondContact O-N 3.07Å; K22-T25 PolarHBondContact O-N 2.88Å; K22-R26 WeakPolarHBondContact O-CG 3.38Å; K22-R26 PolarHBondContact O-N 2.98Å; K22-M185 HydrophobicContact CB-CB 4.17Å
23	H	94.5	Very high	91.6	Very high	66 Å²	66	52.9 Å²	52.9	31%	0.306	28%	0.283	S	S	.	.	H	α-helix	trans	-56.5	-54.5	-169.4	-175.4	-73.8	0	0	0	112.9	T25 R26 C27 S82 S197	H23-T25 VanDerWaalsContact C-N 3.29Å; H23-T25 PolarHBondContact O-N 3.47Å; H23-R26 WeakPolarHBondContact O-CB 3.43Å; H23-R26 PolarHBondContact O-N 2.8Å; H23-R26 VanDerWaalsContact O-N 3.07Å; H23-C27 PolarHBondContact CE1-SG 2.89Å; H23-C27 PolarHBondContact O-N 2.85Å; H23-S82 PolarHBondContact CE1-OG 2.91Å; H23-S197 WeakPolarHBondContact NE2-CB 3.45Å; H23-S197 PolarHBondContact NE2-OG 3.26Å
24	G	95.1	Very high	91.7	Very high	50 Å²	50	55.4 Å²	55.4	52%	0.515	30%	0.298	S	S	.	.	H	α-helix	trans	-60.6	-34.8	-178.8	0	0	0	0	0	114	K22 C27 A28	K22-G24 PolarHBondContact O-N 3.07Å; G24-C27 PolarHBondContact O-N 2.94Å; G24-A28 WeakPolarHBondContact O-CB 3.35Å; G24-A28 PolarHBondContact O-N 2.86Å
25	T	95.9	Very high	91.8	Very high	35 Å²	35	51 Å²	51	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-35.5	176.6	-58.5	0	0	0	0	112.3	K22 H23 G29 T183 M185	K22-T25 PolarHBondContact O-N 2.88Å; H23-T25 VanDerWaalsContact C-N 3.29Å; H23-T25 PolarHBondContact O-N 3.47Å; T25-G29 PolarHBondContact O-N 3.48Å; T25-T183 PolarHBondContact O-OG1 3.34Å; T25-M185 HydrophobicContact CG2-CG 3.78Å; T25-M185 HydrophobicContact CG2-SD 4.21Å; T25-M185 VanDerWaalsContact OG1-CG 3.24Å; T25-M185 WeakPolarHBondContact OG1-CG 3.43Å
26	R	96.5	Very high	92	Very high	26 Å²	26	53.8 Å²	53.8	10%	0.098	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-48.7	173.9	-68.3	173.6	176.7	-150.4	-6.2	111.1	K22 H23 A28 G29 E30 T182 T183 D184 T190 H192	K22-R26 WeakPolarHBondContact O-CG 3.38Å; K22-R26 PolarHBondContact O-N 2.98Å; H23-R26 WeakPolarHBondContact O-CB 3.43Å; H23-R26 PolarHBondContact O-N 2.8Å; H23-R26 VanDerWaalsContact O-N 3.07Å; R26-A28 VanDerWaalsContact C-N 3.34Å; R26-A28 PolarHBondContact O-N 3.44Å; R26-G29 PolarHBondContact O-N 3.28Å; R26-E30 PolarHBondContact O-N 2.74Å; R26-T182 HydrophobicContact CB-CG2 3.69Å; R26-T182 HydrophobicContact CG-CG2 4.08Å; R26-T182 WeakPolarHBondContact O-CG2 3.38Å; R26-T182 PolarHBondContact O-OG1 3.11Å; R26-T183 VanDerWaalsContact CA-O 3.26Å; R26-T183 WeakPolarHBondContact CA-O 3.37Å; R26-T183 VanDerWaalsContact CG-O 3.29Å; R26-T183 WeakPolarHBondContact CG-O 3.24Å; R26-D184 IonicContact CZ-OD1 3.67Å; R26-D184 IonicContact CZ-OD2 2.81Å; R26-D184 VanDerWaalsContact NE-CG 3.31Å; R26-D184 IonicContact NE-OD1 3.74Å; R26-D184 PolarHBondContact NE-OD1 3.35Å; R26-D184 IonicContact NE-OD2 2.58Å; R26-D184 PolarHBondContact NE-OD2 2.71Å; R26-D184 IonicContact NH2-OD1 2.75Å; R26-D184 PolarHBondContact NH2-OD1 2.68Å; R26-D184 IonicContact NH2-OD2 2.74Å; R26-D184 PolarHBondContact NH2-OD2 3.31Å; R26-T190 HydrophobicContact CG-CG2 4.1Å; R26-H192 PolarHBondContact NH1-O 2.97Å
27	C	96.6	Very high	92.4	Very high	18 Å²	18	52 Å²	52	12%	0.122	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-40.6	176.4	-64.3	0	0	0	0	112.5	H23 G24 G29 E30 V31 P201	H23-C27 PolarHBondContact CE1-SG 2.89Å; H23-C27 PolarHBondContact O-N 2.85Å; G24-C27 PolarHBondContact O-N 2.94Å; C27-G29 VanDerWaalsContact C-N 3.32Å; C27-G29 PolarHBondContact O-N 2.87Å; C27-E30 WeakPolarHBondContact CA-OE1 3.46Å; C27-E30 PolarHBondContact O-N 3.19Å; C27-V31 PolarHBondContact O-N 3.03Å; C27-P201 HydrophobicContact CB-CB 4.26Å; C27-P201 HydrophobicContact CB-CG 3.53Å
28	A	96.1	Very high	93.2	Very high	30 Å²	30	55.2 Å²	55.2	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-39.4	178	0	0	0	0	0	112.7	G24 R26 V31 A32 I50	G24-A28 WeakPolarHBondContact O-CB 3.35Å; G24-A28 PolarHBondContact O-N 2.86Å; R26-A28 VanDerWaalsContact C-N 3.34Å; R26-A28 PolarHBondContact O-N 3.44Å; A28-V31 PolarHBondContact O-N 3.32Å; A28-A32 PolarHBondContact O-N 2.85Å; A28-I50 HydrophobicContact CB-CG1 3.93Å
29	G	96.6	Very high	93.9	Very high	4 Å²	4	58.7 Å²	58.7	4%	0.041	35%	0.346	C	S	.	.	H	α-helix	trans	-65.5	-37	177.7	0	0	0	0	0	113.6	T25 R26 C27 V31 A32 A33 G43 T182 T183	T25-G29 PolarHBondContact O-N 3.48Å; R26-G29 PolarHBondContact O-N 3.28Å; C27-G29 VanDerWaalsContact C-N 3.32Å; C27-G29 PolarHBondContact O-N 2.87Å; G29-V31 PolarHBondContact O-N 2.77Å; G29-A32 PolarHBondContact O-N 3.37Å; G29-A33 WeakPolarHBondContact O-CB 3.49Å; G29-A33 PolarHBondContact O-N 3.22Å; G29-G43 WeakPolarHBondContact O-CA 3.48Å; G29-T182 VanDerWaalsContact C-OG1 3.31Å; G29-T182 WeakPolarHBondContact CA-OG1 3.4Å; G29-T183 WeakPolarHBondContact CA-OG1 3.49Å; G29-T183 PolarHBondContact N-OG1 2.77Å
30	E	96.7	Very high	94.9	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-35.5	176.6	-65.2	177	-91.7	0	0	111.6	R26 C27 G43 V44 I180 T182 H193 P201 I202	R26-E30 PolarHBondContact O-N 2.74Å; C27-E30 WeakPolarHBondContact CA-OE1 3.46Å; C27-E30 PolarHBondContact O-N 3.19Å; E30-G43 CarbonylContact O-C 3.53Å; E30-G43 WeakPolarHBondContact O-CA 3.32Å; E30-V44 WeakPolarHBondContact O-CG2 3.32Å; E30-V44 PolarHBondContact O-N 3.03Å; E30-I180 HydrophobicContact CG-CG2 3.74Å; E30-I180 WeakPolarHBondContact OE2-CG2 3.41Å; E30-T182 HydrophobicContact CG-CG2 4.29Å; E30-T182 PolarHBondContact N-OG1 3.11Å; E30-T182 VanDerWaalsContact N-OG1 3.15Å; E30-H193 IonicContact OE1-CD2 3.71Å; E30-H193 PolarHBondContact OE1-CD2 2.88Å; E30-H193 IonicContact OE1-NE2 2.65Å; E30-H193 PolarHBondContact OE1-NE2 3.23Å; E30-P201 HydrophobicContact CB-CB 3.79Å; E30-P201 HydrophobicContact CG-CB 4.47Å; E30-I202 HydrophobicContact CB-CG1 4.47Å
31	V	95.5	Very high	95.6	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-76.7	-53.5	178.1	-177.7	0	0	0	0	111.1	C27 A28 G29 G43 V44 A45 I50 P201 A204	C27-V31 PolarHBondContact O-N 3.03Å; A28-V31 PolarHBondContact O-N 3.32Å; G29-V31 PolarHBondContact O-N 2.77Å; V31-G43 CarbonylContact O-C 3.54Å; V31-V44 PolarHBondContact O-N 3.41Å; V31-A45 CarbonylContact O-C 3.37Å; V31-A45 WeakPolarHBondContact O-CA 3.19Å; V31-A45 PolarHBondContact O-N 3.33Å; V31-I50 HydrophobicContact CB-CD1 4.13Å; V31-I50 HydrophobicContact CG1-CD1 4.08Å; V31-P201 HydrophobicContact CG2-CB 3.96Å; V31-A204 HydrophobicContact CB-CB 4.47Å; V31-A204 HydrophobicContact CG1-CB 3.94Å; V31-A204 HydrophobicContact CG2-CB 3.85Å
32	A	94.9	Very high	95.9	Very high	10 Å²	10	54 Å²	54	8%	0.083	34%	0.336	C	S	.	.	H	α-helix	trans	-143.1	27.4	-161.7	0	0	0	0	0	115	A28 G29 V34 A48 I50	A28-A32 PolarHBondContact O-N 2.85Å; G29-A32 PolarHBondContact O-N 3.37Å; A32-V34 PolarHBondContact O-N 2.88Å; A32-A48 HydrophobicContact CB-CB 4.47Å; A32-I50 HydrophobicContact CB-CB 3.84Å; A32-I50 HydrophobicContact CB-CG1 4.42Å; A32-I50 HydrophobicContact CB-CG2 4.14Å
33	A	96.4	Very high	96.1	Very high	15 Å²	15	50.3 Å²	50.3	12%	0.124	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-56.4	133.6	168	0	0	0	0	0	110.6	G29 A35 G43 Y46 T183	G29-A33 WeakPolarHBondContact O-CB 3.49Å; G29-A33 PolarHBondContact O-N 3.22Å; A33-A35 PolarHBondContact O-N 2.87Å; A33-G43 PolarHBondContact O-N 3.39Å; A33-Y46 VanDerWaalsContact O-CB 3.26Å; A33-Y46 WeakPolarHBondContact O-CB 3.2Å; A33-T183 HydrophobicContact CB-CG2 4.27Å
34	V	97	Very high	96	Very high	87 Å²	87	50.1 Å²	50.1	53%	0.527	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-64.6	130.7	-174.5	177	0	0	0	0	110.5	A32 N37	A32-V34 PolarHBondContact O-N 2.88Å; V34-N37 HydrophobicContact CG1-CB 4.2Å; V34-N37 PolarHBondContact O-OD1 3.44Å
35	A	96.7	Very high	95.9	Very high	41 Å²	41	48.3 Å²	48.3	34%	0.339	31%	0.305	S	S	.	.	S	Bend	trans	-80.4	149.7	175.5	0	0	0	0	0	112.1	A33 N37 V42 Y46	A33-A35 PolarHBondContact O-N 2.87Å; A35-N37 VanDerWaalsContact C-N 3.32Å; A35-N37 PolarHBondContact O-N 2.88Å; A35-V42 HydrophobicContact CB-CG2 3.57Å; A35-Y46 HydrophobicContact CB-CD1 4.31Å; A35-Y46 HydrophobicContact CB-CD2 3.68Å; A35-Y46 HydrophobicContact CB-CE2 4.21Å; A35-Y46 HydrophobicContact CB-CG 3.74Å
36	G	96.2	Very high	95.7	Very high	83 Å²	83	52.1 Å²	52.1	86%	0.856	32%	0.317	S	S	*	.	S	Bend	trans	68.5	25.1	166.5	0	0	0	0	0	115.3
37	N	97.2	Very high	95.4	Very high	75 Å²	75	57.6 Å²	57.6	40%	0.401	35%	0.348	S	S	.	.	S	Bend	trans	-109.6	12.5	177.7	70.4	-14.3	0	0	0	113.4	V34 A35 W39	V34-N37 HydrophobicContact CG1-CB 4.2Å; V34-N37 PolarHBondContact O-OD1 3.44Å; A35-N37 VanDerWaalsContact C-N 3.32Å; A35-N37 PolarHBondContact O-N 2.88Å; N37-W39 PolarHBondContact O-N 2.83Å; N37-W39 VanDerWaalsContact O-N 3.14Å; N37-W39 PolarHBondContact OD1-N 3.1Å; N37-W39 VanDerWaalsContact OD1-N 3.13Å; N37-W39 PolarHBondContact OD1-O 3.28Å
38	D	96	Very high	95.2	Very high	172 Å²	172	58.3 Å²	58.3	92%	0.92	36%	0.355	S	S	*	.	S	Bend	trans	55.1	25	-177.4	-59.6	-39.2	0	0	0	115.1
39	W	96	Very high	95.1	Very high	144 Å²	144	66.1 Å²	66.1	55%	0.545	38%	0.384	S	S	.	.	S	Bend	trans	-126.7	123.4	-177	-171.2	-90.9	0	0	0	112.9	N37 G41 N187	N37-W39 PolarHBondContact O-N 2.83Å; N37-W39 VanDerWaalsContact O-N 3.14Å; N37-W39 PolarHBondContact OD1-N 3.1Å; N37-W39 VanDerWaalsContact OD1-N 3.13Å; N37-W39 PolarHBondContact OD1-O 3.28Å; W39-G41 PolarHBondContact O-N 2.76Å; W39-N187 WeakPolarHBondContact CZ2-O 3.47Å
40	C	96.7	Very high	94.9	Very high	56 Å²	56	70.1 Å²	70.1	38%	0.378	40%	0.403	S	S	.	.	S	Bend	trans	56.1	-77.6	-178.5	-58.9	0	0	0	0	116.4	S188 C189	C40-S188 PolarHBondContact SG-O 2.99Å; C40-C189 WeakPolarHBondContact CA-SG 3.31Å; C40-C189 HydrophobicContact CB-CB 3.75Å; C40-C189 WeakPolarHBondContact CB-SG 3.3Å; C40-C189 VanDerWaalsContact SG-CA 3.51Å; C40-C189 WeakPolarHBondContact SG-CB 3.36Å; C40-C189 CovalentContact SG-SG 2.02Å; C40-C189 PolarHBondContact SG-SG 2.96Å
41	G	96.2	Very high	94.9	Very high	37 Å²	37	71.2 Å²	71.2	38%	0.381	42%	0.416	S	S	.	.			trans	-175.9	-151.8	-162.8	0	0	0	0	0	110.9	W39	W39-G41 PolarHBondContact O-N 2.76Å
42	V	96.2	Very high	94.9	Very high	88 Å²	88	72.3 Å²	72.3	53%	0.533	43%	0.43	S	S	.	.			trans	-144	140.9	-175.9	64.4	0	0	0	0	110.9	A35 Y46	A35-V42 HydrophobicContact CB-CG2 3.57Å; V42-Y46 HydrophobicContact CG2-CD1 3.68Å; V42-Y46 HydrophobicContact CG2-CG 3.85Å
43	G	94.8	Very high	95.1	Very high	4 Å²	4	74.1 Å²	74.1	4%	0.041	44%	0.44	C	S	.	.			trans	-78.7	152.2	173.8	0	0	0	0	0	111.9	G29 E30 V31 A33 A45 Y46	G29-G43 WeakPolarHBondContact O-CA 3.48Å; E30-G43 CarbonylContact O-C 3.53Å; E30-G43 WeakPolarHBondContact O-CA 3.32Å; V31-G43 CarbonylContact O-C 3.54Å; A33-G43 PolarHBondContact O-N 3.39Å; G43-A45 PolarHBondContact O-N 3.18Å; G43-Y46 PolarHBondContact O-N 3.11Å
44	V	92.7	Very high	95.1	Very high	61 Å²	61	74.3 Å²	74.3	37%	0.37	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.4	176.1	174.2	0	0	0	0	111.5	E30 V31 I202 V205	E30-V44 WeakPolarHBondContact O-CG2 3.32Å; E30-V44 PolarHBondContact O-N 3.03Å; V31-V44 PolarHBondContact O-N 3.41Å; V44-I202 HydrophobicContact CG2-CG2 4.28Å; V44-V205 HydrophobicContact CG1-CB 3.72Å; V44-V205 HydrophobicContact CG1-CG2 3.87Å
45	A	92.2	Very high	95	Very high	13 Å²	13	70.6 Å²	70.6	11%	0.107	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	61.3	174.4	0	0	0	0	0	110.1	V31 G43 N47 A48	V31-A45 CarbonylContact O-C 3.37Å; V31-A45 WeakPolarHBondContact O-CA 3.19Å; V31-A45 PolarHBondContact O-N 3.33Å; G43-A45 PolarHBondContact O-N 3.18Å; A45-N47 PolarHBondContact O-N 3.12Å; A45-A48 HydrophobicContact CB-CB 3.87Å; A45-A48 WeakPolarHBondContact O-CB 3.45Å; A45-A48 PolarHBondContact O-N 3.48Å
46	Y	92.7	Very high	94.9	Very high	114 Å²	114	73 Å²	73	45%	0.447	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-12.7	-175.7	60.9	-99.2	0	0	0	116.8	A33 A35 V42 G43	A33-Y46 VanDerWaalsContact O-CB 3.26Å; A33-Y46 WeakPolarHBondContact O-CB 3.2Å; A35-Y46 HydrophobicContact CB-CD1 4.31Å; A35-Y46 HydrophobicContact CB-CD2 3.68Å; A35-Y46 HydrophobicContact CB-CE2 4.21Å; A35-Y46 HydrophobicContact CB-CG 3.74Å; V42-Y46 HydrophobicContact CG2-CD1 3.68Å; V42-Y46 HydrophobicContact CG2-CG 3.85Å; G43-Y46 PolarHBondContact O-N 3.11Å
47	N	91	Very high	94.6	Very high	141 Å²	141	70.5 Å²	70.5	75%	0.754	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-1	173.4	-80.2	-24.6	0	0	0	113.4	A45	A45-N47 PolarHBondContact O-N 3.12Å
48	A	91.1	Very high	94.3	Very high	33 Å²	33	68.9 Å²	68.9	27%	0.273	39%	0.389	S	S	.	.	S	Bend	trans	-73.5	157.3	176.7	0	0	0	0	0	111.2	A32 A45	A32-A48 HydrophobicContact CB-CB 4.47Å; A45-A48 HydrophobicContact CB-CB 3.87Å; A45-A48 WeakPolarHBondContact O-CB 3.45Å; A45-A48 PolarHBondContact O-N 3.48Å
49	K	93.3	Very high	93.9	Very high	195 Å²	195	66.1 Å²	66.1	85%	0.848	38%	0.383	S	S	*	.			trans	-85.1	137.3	166.3	-64.3	-175.3	179.5	-177.6	0	108.5
50	I	93.9	Very high	93.5	Very high	87 Å²	87	62.1 Å²	62.1	45%	0.446	38%	0.375	S	S	.	.			trans	-121.6	146.3	178.2	-166.2	63	0	0	0	109.9	A28 V31 A32	A28-I50 HydrophobicContact CB-CG1 3.93Å; V31-I50 HydrophobicContact CB-CD1 4.13Å; V31-I50 HydrophobicContact CG1-CD1 4.08Å; A32-I50 HydrophobicContact CB-CB 3.84Å; A32-I50 HydrophobicContact CB-CG1 4.42Å; A32-I50 HydrophobicContact CB-CG2 4.14Å
51	G	95.6	Very high	93.1	Very high	32 Å²	32	62.2 Å²	62.2	33%	0.33	38%	0.376	S	S	.	.			trans	-141.2	164	173.4	0	0	0	0	0	110.2	S3	S3-G51 WeakPolarHBondContact OG-CA 3.43Å
52	G	96.7	Very high	92.8	Very high	31 Å²	31	63 Å²	63	32%	0.32	37%	0.371	S	S	.	.			trans	-121.7	141.9	177.6	0	0	0	0	0	112.1	S3 Y4 P13	S3-G52 WeakPolarHBondContact CA-O 3.45Å; S3-G52 WeakPolarHBondContact CB-O 3.43Å; S3-G52 PolarHBondContact OG-N 3.45Å; Y4-G52 PolarHBondContact N-O 2.96Å; P13-G52 VanDerWaalsContact CB-O 3.25Å; P13-G52 WeakPolarHBondContact CB-O 3.49Å; P13-G52 WeakPolarHBondContact CG-O 3.46Å
53	V	97.8	Very high	92.4	Very high	48 Å²	48	68.7 Å²	68.7	29%	0.291	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.7	167.8	-173.8	0	0	0	0	108.4	Y4 V6 M55 L71	Y4-V53 VanDerWaalsContact O-CA 3.27Å; Y4-V53 WeakPolarHBondContact O-CA 3.28Å; V6-V53 HydrophobicContact CG2-CG1 3.73Å; V53-M55 HydrophobicContact CG1-CB 4.36Å; V53-M55 HydrophobicContact CG1-CG 4.28Å; V53-M55 PolarHBondContact O-N 3.23Å; V53-L71 HydrophobicContact CG2-CD2 3.43Å; V53-L71 VanDerWaalsContact CG2-CD2 3.43Å
54	R	96.8	Very high	92.3	Very high	19 Å²	19	69.6 Å²	69.6	7%	0.072	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.3	176.5	176.5	160.7	169.9	-85.9	-7.8	108.5	Y4 D5 V6 N7 D8 P13 D57	Y4-R54 PolarHBondContact O-N 2.96Å; D5-R54 HydrophobicContact CB-CB 4.41Å; D5-R54 VanDerWaalsContact CG-NH1 3.31Å; D5-R54 IonicContact OD1-NH1 2.89Å; D5-R54 PolarHBondContact OD1-NH1 2.91Å; D5-R54 VanDerWaalsContact OD2-CD 3.22Å; D5-R54 WeakPolarHBondContact OD2-CD 3.46Å; D5-R54 IonicContact OD2-CZ 2.84Å; D5-R54 IonicContact OD2-NE 3.28Å; D5-R54 IonicContact OD2-NH1 2.79Å; D5-R54 PolarHBondContact OD2-NH1 3.38Å; V6-R54 PolarHBondContact N-O 2.89Å; N7-R54 PolarHBondContact N-O 3.4Å; N7-R54 PolarHBondContact OD1-O 3.17Å; D8-R54 IonicContact OD2-CZ 3.1Å; D8-R54 IonicContact OD2-NH1 3.88Å; D8-R54 PolarHBondContact OD2-NH1 2.78Å; D8-R54 IonicContact OD2-NH2 3.63Å; D8-R54 PolarHBondContact OD2-NH2 3.02Å; P13-R54 HydrophobicContact CB-CB 4.17Å; R54-D57 HydrophobicContact CG-CB 4.4Å; R54-D57 IonicContact CZ-OD2 2.83Å; R54-D57 VanDerWaalsContact CZ-OD2 3.27Å; R54-D57 IonicContact NE-OD2 2.79Å; R54-D57 PolarHBondContact NE-OD2 2.97Å; R54-D57 VanDerWaalsContact NE-OD2 3.1Å; R54-D57 VanDerWaalsContact NH2-CG 3.34Å; R54-D57 IonicContact NH2-OD2 3.58Å; R54-D57 PolarHBondContact NH2-OD2 3.43Å
55	M	95.9	Very high	92.4	Very high	8 Å²	8	67.6 Å²	67.6	4%	0.039	38%	0.375	C	S	.	.			trans	-136.3	-15.5	-177.1	59.8	82.5	68.6	0	0	114.5	V6 N7 V53 V60 V64 E65 S68 W83	V6-M55 HydrophobicContact CB-CB 4.18Å; V6-M55 HydrophobicContact CG2-CB 4.45Å; N7-M55 PolarHBondContact ND2-O 2.02Å; N7-M55 VanDerWaalsContact ND2-O 3.07Å; N7-M55 WeakPolarHBondContact OD1-CA 3.28Å; N7-M55 PolarHBondContact OD1-N 2.87Å; N7-M55 VanDerWaalsContact OD1-N 3.12Å; N7-M55 PolarHBondContact OD1-O 3.28Å; V53-M55 HydrophobicContact CG1-CB 4.36Å; V53-M55 HydrophobicContact CG1-CG 4.28Å; V53-M55 PolarHBondContact O-N 3.23Å; M55-V60 HydrophobicContact CE-CG1 4.06Å; M55-V64 HydrophobicContact CB-CG1 3.96Å; M55-V64 HydrophobicContact CE-CG1 4.3Å; M55-E65 HydrophobicContact CE-CG 4.09Å; M55-S68 VanDerWaalsContact CB-OG 3.24Å; M55-S68 WeakPolarHBondContact CB-OG 3.3Å; M55-S68 WeakPolarHBondContact CG-OG 3.37Å; M55-W83 HydrophobicContact CE-CD2 4.41Å; M55-W83 HydrophobicContact CE-CH2 4.39Å; M55-W83 HydrophobicContact CE-CZ2 3.93Å
56	L	93.3	Very high	92.5	Very high	91 Å²	91	67.6 Å²	67.6	48%	0.476	37%	0.374	S	S	.	.	S	Bend	trans	-92.3	-9.2	-178.4	-62.4	178.3	0	0	0	114.4	N7 G58 V60 W83	N7-L56 PolarHBondContact OD1-N 3.37Å; L56-G58 PolarHBondContact O-N 2.84Å; L56-G58 VanDerWaalsContact O-N 3.12Å; L56-V60 HydrophobicContact CD2-CG2 4.08Å; L56-W83 HydrophobicContact CD1-CB 4.21Å; L56-W83 HydrophobicContact CD2-CB 3.84Å; L56-W83 HydrophobicContact CD2-CG 3.99Å
57	D	91.4	Very high	92.6	Very high	31 Å²	31	64 Å²	64	17%	0.166	37%	0.369	C	S	.	.	S	Bend	trans	-91.3	46.1	-176.3	-169.4	23.4	0	0	0	111.4	N7 R16 N21 R54	N7-D57 PolarHBondContact OD1-N 2.65Å; R16-D57 VanDerWaalsContact CD-OD2 3.31Å; R16-D57 WeakPolarHBondContact CD-OD2 3.37Å; R16-D57 WeakPolarHBondContact CG-OD2 3.27Å; R16-D57 IonicContact NE-OD2 3.49Å; N21-D57 PolarHBondContact ND2-OD1 2.91Å; N21-D57 VanDerWaalsContact ND2-OD1 3.08Å; N21-D57 PolarHBondContact ND2-OD2 3.16Å; N21-D57 PolarHBondContact OD1-OD1 2.9Å; R54-D57 HydrophobicContact CG-CB 4.4Å; R54-D57 IonicContact CZ-OD2 2.83Å; R54-D57 VanDerWaalsContact CZ-OD2 3.27Å; R54-D57 IonicContact NE-OD2 2.79Å; R54-D57 PolarHBondContact NE-OD2 2.97Å; R54-D57 VanDerWaalsContact NE-OD2 3.1Å; R54-D57 VanDerWaalsContact NH2-CG 3.34Å; R54-D57 IonicContact NH2-OD2 3.58Å; R54-D57 PolarHBondContact NH2-OD2 3.43Å
58	G	89.2	Confident	93	Very high	42 Å²	42	57.7 Å²	57.7	43%	0.433	34%	0.335	S	S	.	.	S	Bend	trans	174	-175.5	-174.7	0	0	0	0	0	112.1	L56 V60	L56-G58 PolarHBondContact O-N 2.84Å; L56-G58 VanDerWaalsContact O-N 3.12Å; G58-V60 PolarHBondContact O-N 3.44Å
59	S	87.3	Confident	93.2	Very high	114 Å²	114	56.4 Å²	56.4	80%	0.797	32%	0.324	S	S	*	.			trans	-65.1	119.6	176.1	-60.1	0	0	0	0	111
60	V	89.4	Confident	93.3	Very high	60 Å²	60	49.4 Å²	49.4	36%	0.364	30%	0.299	S	S	.	.			trans	-90.9	121.5	177.3	-172.5	0	0	0	0	108.7	M55 L56 G58 E65	M55-V60 HydrophobicContact CE-CG1 4.06Å; L56-V60 HydrophobicContact CD2-CG2 4.08Å; G58-V60 PolarHBondContact O-N 3.44Å; V60-E65 HydrophobicContact CG1-CG 3.62Å
61	S	88.2	Confident	93.5	Very high	58 Å²	58	46.2 Å²	46.2	41%	0.406	28%	0.283	S	S	.	.			trans	-123.2	162.9	175.3	62.8	0	0	0	0	109.7	R63 V64 E65	S61-R63 PolarHBondContact O-N 3.21Å; S61-V64 WeakPolarHBondContact O-CA 3.15Å; S61-V64 WeakPolarHBondContact O-CB 3.28Å; S61-V64 PolarHBondContact O-N 3.29Å; S61-E65 PolarHBondContact O-N 2.92Å
62	D	88.4	Confident	93.5	Very high	54 Å²	54	48.2 Å²	48.2	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-48.8	-34.7	174.4	-176.4	40.1	0	0	0	112.2	A66 G96 R97 A98 T99	D62-A66 WeakPolarHBondContact O-CB 3.37Å; D62-A66 PolarHBondContact O-N 2.86Å; D62-G96 VanDerWaalsContact CG-CA 3.5Å; D62-G96 WeakPolarHBondContact OD1-CA 3.45Å; D62-G96 PolarHBondContact OD1-N 2.98Å; D62-R97 PolarHBondContact OD2-N 3.5Å; D62-R97 VanDerWaalsContact OD2-N 3.16Å; D62-A98 PolarHBondContact OD1-N 2.95Å; D62-A98 WeakPolarHBondContact OD2-CB 3.37Å; D62-A98 PolarHBondContact OD2-N 3.49Å; D62-T99 PolarHBondContact O-OG1 2.81Å; D62-T99 WeakPolarHBondContact OD1-CB 3.04Å; D62-T99 PolarHBondContact OD1-N 2.94Å; D62-T99 PolarHBondContact OD1-OG1 3.25Å
63	R	88.5	Confident	93.5	Very high	206 Å²	206	47.4 Å²	47.4	78%	0.777	27%	0.274	S	S	*	.	H	α-helix	trans	-69.9	-40.8	175.6	-178.1	177	174.3	165.7	-1.3	113.2	S61 A67	S61-R63 PolarHBondContact O-N 3.21Å; R63-A67 VanDerWaalsContact O-CB 3.27Å; R63-A67 WeakPolarHBondContact O-CB 3.49Å; R63-A67 PolarHBondContact O-N 2.66Å
64	V	92.8	Very high	93.3	Very high	23 Å²	23	49.6 Å²	49.6	14%	0.139	28%	0.284	C	S	.	.	H	α-helix	trans	-66.6	-44.8	179.6	167.2	0	0	0	0	110	V6 M55 S61 A67 S68	V6-V64 HydrophobicContact CG1-CB 4.27Å; V6-V64 HydrophobicContact CG1-CG1 3.84Å; V6-V64 HydrophobicContact CG1-CG2 4.3Å; M55-V64 HydrophobicContact CB-CG1 3.96Å; M55-V64 HydrophobicContact CE-CG1 4.3Å; S61-V64 WeakPolarHBondContact O-CA 3.15Å; S61-V64 WeakPolarHBondContact O-CB 3.28Å; S61-V64 PolarHBondContact O-N 3.29Å; V64-A67 PolarHBondContact O-N 2.91Å; V64-S68 WeakPolarHBondContact O-CB 3.47Å; V64-S68 PolarHBondContact O-N 3.19Å; V64-S68 PolarHBondContact O-OG 2.97Å
65	E	95.5	Very high	93.3	Very high	20 Å²	20	53.6 Å²	53.6	9%	0.093	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-51.4	174.1	-67.2	172.4	-177.2	0	0	111.8	M55 V60 S61 A67 S68 L69 W83 T99 Y137	M55-E65 HydrophobicContact CE-CG 4.09Å; V60-E65 HydrophobicContact CG1-CG 3.62Å; S61-E65 PolarHBondContact O-N 2.92Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.17Å; E65-S68 WeakPolarHBondContact O-CB 3.27Å; E65-S68 PolarHBondContact O-N 3.15Å; E65-S68 VanDerWaalsContact O-N 3.09Å; E65-L69 WeakPolarHBondContact O-CG 3.26Å; E65-L69 PolarHBondContact O-N 2.82Å; E65-W83 HydrophobicContact CB-CH2 3.84Å; E65-W83 HydrophobicContact CB-CZ3 4.33Å; E65-W83 HydrophobicContact CG-CH2 3.63Å; E65-W83 HydrophobicContact CG-CZ3 3.64Å; E65-T99 HydrophobicContact CB-CG2 4.04Å; E65-T99 WeakPolarHBondContact CB-OG1 3.48Å; E65-T99 PolarHBondContact OE2-OG1 3.24Å; E65-Y137 PolarHBondContact OE1-OH 3.06Å; E65-Y137 PolarHBondContact OE2-OH 2.85Å
66	A	94	Very high	93.2	Very high	12 Å²	12	54 Å²	54	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-43.3	178.7	0	0	0	0	0	112.3	D62 S68 L69 S70 A98 T99 A102	D62-A66 WeakPolarHBondContact O-CB 3.37Å; D62-A66 PolarHBondContact O-N 2.86Å; A66-S68 VanDerWaalsContact C-N 3.3Å; A66-S68 PolarHBondContact O-N 3.39Å; A66-L69 PolarHBondContact O-N 2.82Å; A66-S70 VanDerWaalsContact O-CB 3.26Å; A66-S70 WeakPolarHBondContact O-CB 3.26Å; A66-S70 PolarHBondContact O-N 2.88Å; A66-S70 PolarHBondContact O-OG 2.88Å; A66-A98 VanDerWaalsContact CB-C 3.49Å; A66-A98 HydrophobicContact CB-CB 3.61Å; A66-T99 PolarHBondContact N-OG1 3.35Å; A66-A102 HydrophobicContact CB-CB 4.2Å
67	A	95.5	Very high	93.1	Very high	40 Å²	40	52.7 Å²	52.7	33%	0.331	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-38.7	175.9	0	0	0	0	0	111.9	V6 R63 V64 E65 S70 L71	V6-A67 HydrophobicContact CG1-CB 4.23Å; R63-A67 VanDerWaalsContact O-CB 3.27Å; R63-A67 WeakPolarHBondContact O-CB 3.49Å; R63-A67 PolarHBondContact O-N 2.66Å; V64-A67 PolarHBondContact O-N 2.91Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.17Å; A67-S70 WeakPolarHBondContact CA-OG 3.43Å; A67-S70 PolarHBondContact O-OG 2.89Å; A67-L71 PolarHBondContact O-N 2.94Å
68	S	97.5	Very high	93.2	Very high	7 Å²	7	52.3 Å²	52.3	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-46	178.5	-56	0	0	0	0	112	M55 V64 E65 A66 S70 L71	M55-S68 VanDerWaalsContact CB-OG 3.24Å; M55-S68 WeakPolarHBondContact CB-OG 3.3Å; M55-S68 WeakPolarHBondContact CG-OG 3.37Å; V64-S68 WeakPolarHBondContact O-CB 3.47Å; V64-S68 PolarHBondContact O-N 3.19Å; V64-S68 PolarHBondContact O-OG 2.97Å; E65-S68 WeakPolarHBondContact O-CB 3.27Å; E65-S68 PolarHBondContact O-N 3.15Å; E65-S68 VanDerWaalsContact O-N 3.09Å; A66-S68 VanDerWaalsContact C-N 3.3Å; A66-S68 PolarHBondContact O-N 3.39Å; S68-S70 VanDerWaalsContact C-N 3.34Å; S68-L71 WeakPolarHBondContact O-CB 3.28Å; S68-L71 PolarHBondContact O-N 3.32Å
69	L	95.5	Very high	93.5	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-76.5	-20.1	-179.3	-63.6	178	0	0	0	113.6	E65 A66 Q73 W83 T99 A102 F103 F118 W120	E65-L69 WeakPolarHBondContact O-CG 3.26Å; E65-L69 PolarHBondContact O-N 2.82Å; A66-L69 PolarHBondContact O-N 2.82Å; L69-Q73 PolarHBondContact O-NE2 3.31Å; L69-W83 HydrophobicContact CD1-CH2 4.39Å; L69-W83 HydrophobicContact CD2-CZ2 4.33Å; L69-W83 HydrophobicContact CG-CZ2 4.44Å; L69-T99 HydrophobicContact CD1-CG2 3.67Å; L69-A102 HydrophobicContact CB-CB 4.09Å; L69-F103 HydrophobicContact CD1-CD1 4.13Å; L69-F103 HydrophobicContact CD1-CD2 4.23Å; L69-F103 HydrophobicContact CD1-CE1 3.71Å; L69-F103 HydrophobicContact CD1-CE2 3.83Å; L69-F103 HydrophobicContact CD1-CG 4.37Å; L69-F103 HydrophobicContact CD1-CZ 3.56Å; L69-F103 HydrophobicContact CD2-CE1 4.49Å; L69-F118 HydrophobicContact CB-CE1 4.28Å; L69-F118 HydrophobicContact CD2-CD1 4.01Å; L69-F118 HydrophobicContact CD2-CE1 3.97Å; L69-W120 HydrophobicContact CD2-CH2 4.32Å; L69-W120 HydrophobicContact CD2-CZ3 4.18Å
70	S	96.5	Very high	93.9	Very high	48 Å²	48	48.4 Å²	48.4	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-92.4	-2.6	175.4	60.1	0	0	0	0	114	A66 A67 S68 N72	A66-S70 VanDerWaalsContact O-CB 3.26Å; A66-S70 WeakPolarHBondContact O-CB 3.26Å; A66-S70 PolarHBondContact O-N 2.88Å; A66-S70 PolarHBondContact O-OG 2.88Å; A67-S70 WeakPolarHBondContact CA-OG 3.43Å; A67-S70 PolarHBondContact O-OG 2.89Å; S68-S70 VanDerWaalsContact C-N 3.34Å; S70-N72 PolarHBondContact O-N 3.16Å
71	L	97.6	Very high	94.2	Very high	21 Å²	21	46 Å²	46	11%	0.11	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	112.2	-178.8	179.6	68.2	0	0	0	111.3	Y4 V53 A67 S68 Q73 I76 Y79	Y4-L71 HydrophobicContact CG-CD1 4.22Å; V53-L71 HydrophobicContact CG2-CD2 3.43Å; V53-L71 VanDerWaalsContact CG2-CD2 3.43Å; A67-L71 PolarHBondContact O-N 2.94Å; S68-L71 WeakPolarHBondContact O-CB 3.28Å; S68-L71 PolarHBondContact O-N 3.32Å; L71-Q73 VanDerWaalsContact C-N 3.32Å; L71-Q73 PolarHBondContact O-N 2.92Å; L71-I76 HydrophobicContact CD2-CD1 4.14Å; L71-I76 HydrophobicContact CG-CD1 4.22Å; L71-I76 VanDerWaalsContact O-CD1 3.29Å; L71-I76 WeakPolarHBondContact O-CD1 3.19Å; L71-Y79 PolarHBondContact O-OH 3.15Å
72	N	96.5	Very high	94.4	Very high	73 Å²	73	44.6 Å²	44.6	39%	0.39	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	47	168	-63.4	-36.4	0	0	0	114.3	M1 S70 N74 H75 I76	M1-N72 PolarHBondContact N-ND2 2.83Å; M1-N72 WeakPolarHBondContact O-CB 3.31Å; M1-N72 PolarHBondContact O-ND2 3.21Å; S70-N72 PolarHBondContact O-N 3.16Å; N72-N74 PolarHBondContact O-N 3.21Å; N72-H75 HydrophobicContact CB-CB 4.18Å; N72-H75 WeakPolarHBondContact O-CA 3.38Å; N72-H75 WeakPolarHBondContact O-CB 3.26Å; N72-H75 PolarHBondContact O-N 3.41Å; N72-I76 PolarHBondContact O-N 2.8Å
73	Q	95.3	Very high	94.7	Very high	15 Å²	15	44 Å²	44	7%	0.07	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.6	-173.6	-76.9	-176.8	-21.1	0	0	116.2	L69 L71 Y79 A102 G106 R111 N116	L69-Q73 PolarHBondContact O-NE2 3.31Å; L71-Q73 VanDerWaalsContact C-N 3.32Å; L71-Q73 PolarHBondContact O-N 2.92Å; Q73-Y79 WeakPolarHBondContact CA-OH 3.44Å; Q73-Y79 WeakPolarHBondContact CG-OH 3.42Å; Q73-A102 PolarHBondContact NE2-O 3.07Å; Q73-G106 VanDerWaalsContact NE2-CA 3.26Å; Q73-R111 PolarHBondContact O-N 3.39Å; Q73-N116 VanDerWaalsContact CB-OD1 3.26Å; Q73-N116 WeakPolarHBondContact CB-OD1 3.34Å; Q73-N116 VanDerWaalsContact CG-OD1 3.26Å; Q73-N116 WeakPolarHBondContact CG-OD1 2.94Å; Q73-N116 PolarHBondContact O-ND2 3.01Å
74	N	95.4	Very high	95	Very high	94 Å²	94	35.8 Å²	35.8	50%	0.503	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.1	173.2	-74.2	-35.8	0	0	0	114	N72 E109 R111 N112	N72-N74 PolarHBondContact O-N 3.21Å; N74-E109 PolarHBondContact OD1-O 2.86Å; N74-R111 PolarHBondContact OD1-N 3.41Å; N74-N112 PolarHBondContact OD1-N 2.8Å
75	H	94.9	Very high	95.1	Very high	103 Å²	103	35.6 Å²	35.6	48%	0.477	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-40.1	176.7	179.9	66.1	0	0	0	112.2	M1 N72	M1-H75 VanDerWaalsContact C-CD2 3.49Å; N72-H75 HydrophobicContact CB-CB 4.18Å; N72-H75 WeakPolarHBondContact O-CA 3.38Å; N72-H75 WeakPolarHBondContact O-CB 3.26Å; N72-H75 PolarHBondContact O-N 3.41Å
76	I	93.7	Very high	95.1	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.087	24%	0.238	C	C	.	.			trans	-85.6	125.4	178.5	-57.8	-176.5	0	0	0	108.7	A2 L71 N72 I78 Y79 N116	A2-I76 HydrophobicContact CB-CD1 4.28Å; A2-I76 HydrophobicContact CB-CG1 3.99Å; L71-I76 HydrophobicContact CD2-CD1 4.14Å; L71-I76 HydrophobicContact CG-CD1 4.22Å; L71-I76 VanDerWaalsContact O-CD1 3.29Å; L71-I76 WeakPolarHBondContact O-CD1 3.19Å; N72-I76 PolarHBondContact O-N 2.8Å; I76-I78 WeakPolarHBondContact CG2-O 3.37Å; I76-Y79 HydrophobicContact CB-CE1 4.36Å; I76-Y79 HydrophobicContact CB-CE2 4.14Å; I76-Y79 HydrophobicContact CD1-CE1 3.94Å; I76-Y79 HydrophobicContact CG2-CD1 4.27Å; I76-Y79 HydrophobicContact CG2-CD2 4.11Å; I76-Y79 HydrophobicContact CG2-CE1 3.94Å; I76-Y79 HydrophobicContact CG2-CE2 3.75Å; I76-Y79 HydrophobicContact CG2-CG 4.35Å; I76-N116 PolarHBondContact O-ND2 3.11Å
77	D	91.9	Very high	95.2	Very high	63 Å²	63	43.2 Å²	43.2	34%	0.337	24%	0.244	S	C	.	.			trans	-84.2	-49.1	176.2	-72.2	-72	0	0	0	112.9	R111 I117 L210	D77-R111 HydrophobicContact CB-CG 4.3Å; D77-R111 WeakPolarHBondContact O-CD 3.21Å; D77-R111 VanDerWaalsContact OD1-CD 3.31Å; D77-R111 WeakPolarHBondContact OD1-CD 3.35Å; D77-R111 WeakPolarHBondContact OD1-CG 3.39Å; D77-R111 IonicContact OD1-CZ 2.79Å; D77-R111 IonicContact OD1-NE 3.4Å; D77-R111 PolarHBondContact OD1-NE 3.09Å; D77-I117 PolarHBondContact O-N 2.92Å; D77-L210 HydrophobicContact CB-CD1 4.21Å; D77-L210 HydrophobicContact CB-CD2 3.43Å; D77-L210 VanDerWaalsContact CB-CD2 3.43Å; D77-L210 HydrophobicContact CB-CG 4.42Å
78	I	93.1	Very high	95.3	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.9	-172.8	-51.8	-151.7	0	0	0	109.5	I76 I117 I119 Q207 L210	I76-I78 WeakPolarHBondContact CG2-O 3.37Å; I78-I117 CarbonylContact C-O 3.58Å; I78-I117 WeakPolarHBondContact CA-O 3.48Å; I78-I117 HydrophobicContact CB-CB 4.48Å; I78-I117 HydrophobicContact CD1-CB 4.15Å; I78-I117 HydrophobicContact CD1-CD1 3.76Å; I78-I117 HydrophobicContact CD1-CG2 4.27Å; I78-I117 HydrophobicContact CG1-CB 4.04Å; I78-I117 HydrophobicContact CG1-CD1 4.08Å; I78-I117 HydrophobicContact CG2-CB 4.34Å; I78-I117 HydrophobicContact CG2-CG2 4.36Å; I78-I119 HydrophobicContact CG2-CD1 3.62Å; I78-I119 HydrophobicContact CG2-CG1 3.88Å; I78-Q207 HydrophobicContact CD1-CB 4.18Å; I78-Q207 HydrophobicContact CD1-CG 3.38Å; I78-Q207 HydrophobicContact CG1-CG 3.91Å; I78-L210 HydrophobicContact CD1-CD2 4.05Å; I78-L210 HydrophobicContact CG1-CD2 3.89Å
79	Y	95.4	Very high	95.3	Very high	20 Å²	20	42.2 Å²	42.2	8%	0.078	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.6	167.7	-61.7	-98.6	0	0	0	107.8	L71 Q73 I76 N116 I117 F118 I119	L71-Y79 PolarHBondContact O-OH 3.15Å; Q73-Y79 WeakPolarHBondContact CA-OH 3.44Å; Q73-Y79 WeakPolarHBondContact CG-OH 3.42Å; I76-Y79 HydrophobicContact CB-CE1 4.36Å; I76-Y79 HydrophobicContact CB-CE2 4.14Å; I76-Y79 HydrophobicContact CD1-CE1 3.94Å; I76-Y79 HydrophobicContact CG2-CD1 4.27Å; I76-Y79 HydrophobicContact CG2-CD2 4.11Å; I76-Y79 HydrophobicContact CG2-CE1 3.94Å; I76-Y79 HydrophobicContact CG2-CE2 3.75Å; I76-Y79 HydrophobicContact CG2-CG 4.35Å; Y79-N116 HydrophobicContact CD2-CB 4.05Å; Y79-N116 HydrophobicContact CE2-CB 3.81Å; Y79-I117 PolarHBondContact N-O 3.14Å; Y79-F118 HydrophobicContact CD1-CE1 4.48Å; Y79-F118 AromaticContact CD2-CD1 3.86Å; Y79-F118 HydrophobicContact CD2-CD1 3.86Å; Y79-F118 AromaticContact CD2-CE1 3.45Å; Y79-F118 HydrophobicContact CD2-CE1 3.45Å; Y79-F118 VanDerWaalsContact CD2-CE1 3.45Å; Y79-F118 HydrophobicContact CD2-CZ 4.14Å; Y79-F118 HydrophobicContact CE2-CE1 4.01Å; Y79-F118 HydrophobicContact CE2-CZ 4.39Å; Y79-F118 AromaticContact CG-CD1 3.93Å; Y79-F118 HydrophobicContact CG-CD1 3.93Å; Y79-F118 AromaticContact CG-CE1 3.74Å; Y79-F118 HydrophobicContact CG-CE1 3.74Å; Y79-I119 PolarHBondContact O-N 3.49Å
80	S	96	Very high	95.3	Very high	54 Å²	54	46.7 Å²	46.7	38%	0.378	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.6	173.8	-178.1	0	0	0	0	108.6
81	A	95.6	Very high	95.2	Very high	9 Å²	9	46.3 Å²	46.3	7%	0.074	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150	-178.6	0	0	0	0	0	111.2	I119 W120 A121	A81-I119 PolarHBondContact N-O 3.18Å; A81-W120 HydrophobicContact CB-CD2 3.9Å; A81-W120 HydrophobicContact CB-CE3 3.67Å; A81-W120 HydrophobicContact CB-CH2 3.6Å; A81-W120 HydrophobicContact CB-CZ2 3.8Å; A81-W120 HydrophobicContact CB-CZ3 3.52Å; A81-W120 WeakPolarHBondContact O-CA 3.44Å; A81-A121 PolarHBondContact O-N 3.03Å
82	S	93	Very high	95	Very high	29 Å²	29	46.8 Å²	46.8	20%	0.203	25%	0.249	C	C	.	.			trans	-143.3	28.4	177.4	72.3	0	0	0	0	111.8	H23 S197	H23-S82 PolarHBondContact CE1-OG 2.91Å; S82-S197 WeakPolarHBondContact CB-OG 3.11Å; S82-S197 WeakPolarHBondContact OG-CB 3.46Å; S82-S197 PolarHBondContact OG-OG 2.79Å
83	W	94.1	Very high	94.8	Very high	40 Å²	40	47.6 Å²	47.6	15%	0.152	25%	0.253	C	S	.	.			trans	-106.4	160.9	174.4	51	-97.2	0	0	0	108.7	M55 L56 E65 L69 W120 Y137	M55-W83 HydrophobicContact CE-CD2 4.41Å; M55-W83 HydrophobicContact CE-CH2 4.39Å; M55-W83 HydrophobicContact CE-CZ2 3.93Å; L56-W83 HydrophobicContact CD1-CB 4.21Å; L56-W83 HydrophobicContact CD2-CB 3.84Å; L56-W83 HydrophobicContact CD2-CG 3.99Å; E65-W83 HydrophobicContact CB-CH2 3.84Å; E65-W83 HydrophobicContact CB-CZ3 4.33Å; E65-W83 HydrophobicContact CG-CH2 3.63Å; E65-W83 HydrophobicContact CG-CZ3 3.64Å; L69-W83 HydrophobicContact CD1-CH2 4.39Å; L69-W83 HydrophobicContact CD2-CZ2 4.33Å; L69-W83 HydrophobicContact CG-CZ2 4.44Å; W83-W120 HydrophobicContact CD2-CH2 4.28Å; W83-W120 AromaticContact CD2-CZ2 3.79Å; W83-W120 HydrophobicContact CD2-CZ2 3.79Å; W83-W120 AromaticContact CE2-CH2 3.74Å; W83-W120 AromaticContact CE2-CZ2 3.74Å; W83-W120 HydrophobicContact CE3-CH2 4.44Å; W83-W120 AromaticContact CE3-CZ2 3.84Å; W83-W120 HydrophobicContact CE3-CZ2 3.84Å; W83-W120 AromaticContact CH2-CH2 3.6Å; W83-W120 HydrophobicContact CH2-CH2 3.6Å; W83-W120 AromaticContact CH2-CZ2 3.82Å; W83-W120 HydrophobicContact CH2-CZ2 3.82Å; W83-W120 AromaticContact CZ2-CH2 3.38Å; W83-W120 HydrophobicContact CZ2-CH2 3.38Å; W83-W120 AromaticContact CZ2-CZ2 3.77Å; W83-W120 HydrophobicContact CZ2-CZ2 3.77Å; W83-W120 HydrophobicContact CZ3-CH2 4.15Å; W83-W120 AromaticContact CZ3-CZ2 3.87Å; W83-W120 HydrophobicContact CZ3-CZ2 3.87Å; W83-W120 WeakPolarHBondContact O-CZ2 3.29Å; W83-W120 PolarHBondContact O-NE1 2.98Å; W83-Y137 HydrophobicContact CE3-CD1 4.44Å; W83-Y137 HydrophobicContact CE3-CE1 4.21Å; W83-Y137 HydrophobicContact CH2-CD1 4.1Å; W83-Y137 AromaticContact CH2-CE1 3.75Å; W83-Y137 HydrophobicContact CH2-CE1 3.75Å; W83-Y137 AromaticContact CZ3-CD1 3.7Å; W83-Y137 HydrophobicContact CZ3-CD1 3.7Å; W83-Y137 AromaticContact CZ3-CE1 3.23Å; W83-Y137 HydrophobicContact CZ3-CE1 3.23Å; W83-Y137 HydrophobicContact CZ3-CE2 4.4Å; W83-Y137 HydrophobicContact CZ3-CG 4.47Å; W83-Y137 AromaticContact CZ3-CZ 3.65Å
84	G	95	Very high	94.7	Very high	35 Å²	35	47.5 Å²	47.5	36%	0.361	26%	0.257	S	S	.	.			trans	176.7	-162.2	-174.5	0	0	0	0	0	109.5
85	P	95.6	Very high	94.4	Very high	19 Å²	19	43.4 Å²	43.4	12%	0.123	24%	0.235	C	C	.	.	S	Bend	trans	-61.4	171.9	170.5	-16.6	32.7	0	0	0	111.4	D87 T91 D93 D135	P85-D87 PolarHBondContact O-N 2.95Å; P85-T91 HydrophobicContact CB-CG2 3.72Å; P85-D93 HydrophobicContact CB-CB 3.93Å; P85-D93 HydrophobicContact CG-CB 3.82Å; P85-D93 VanDerWaalsContact CG-O 3.24Å; P85-D93 WeakPolarHBondContact CG-O 3.33Å; P85-D135 VanDerWaalsContact CD-CG 3.47Å; P85-D135 WeakPolarHBondContact CD-OD1 3.17Å; P85-D135 HydrophobicContact CG-CB 4.17Å
86	E	95	Very high	94	Very high	147 Å²	147	39.8 Å²	39.8	69%	0.687	23%	0.225	S	C	*	.			trans	-72.1	127.1	175.7	-163.7	156	-175	0	0	111	D88	E86-D88 HydrophobicContact CG-CB 4.25Å; E86-D88 PolarHBondContact O-N 2.65Å
87	D	96.9	Very high	93.7	Very high	44 Å²	44	49.6 Å²	49.6	24%	0.235	26%	0.262	C	S	.	.			trans	-76.1	47.2	-176.3	-66.7	-14.2	0	0	0	112.7	P85 N124 G125 H128	P85-D87 PolarHBondContact O-N 2.95Å; D87-N124 WeakPolarHBondContact OD2-CA 3.07Å; D87-N124 WeakPolarHBondContact OD2-CB 3.09Å; D87-N124 PolarHBondContact OD2-N 3.33Å; D87-G125 VanDerWaalsContact O-CA 3.31Å; D87-G125 WeakPolarHBondContact O-CA 3.3Å; D87-H128 PolarHBondContact O-CD2 2.81Å
88	D	97	Very high	93.4	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.139	26%	0.26	C	S	.	.	S	Bend	trans	-98.8	1.5	-168.5	63.3	10.5	0	0	0	114.7	E86 K90 T91 D130	E86-D88 HydrophobicContact CG-CB 4.25Å; E86-D88 PolarHBondContact O-N 2.65Å; D88-K90 HydrophobicContact CB-CG 4.22Å; D88-K90 VanDerWaalsContact CG-CE 3.47Å; D88-K90 PolarHBondContact O-N 3.31Å; D88-K90 WeakPolarHBondContact OD1-CG 3.36Å; D88-K90 PolarHBondContact OD1-N 3.07Å; D88-K90 WeakPolarHBondContact OD2-CE 3.42Å; D88-K90 VanDerWaalsContact OD2-CG 3.26Å; D88-K90 WeakPolarHBondContact OD2-CG 3.33Å; D88-K90 IonicContact OD2-NZ 3.11Å; D88-T91 WeakPolarHBondContact OD1-CB 3.35Å; D88-T91 PolarHBondContact OD1-N 3.18Å; D88-T91 PolarHBondContact OD1-OG1 2.91Å; D88-T91 PolarHBondContact OD2-OG1 3.37Å; D88-D130 PolarHBondContact N-OD2 2.77Å
89	G	96.9	Very high	93.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	74.6	11.3	-178.6	0	0	0	0	0	114.4	D130 D349	G89-D130 PolarHBondContact N-OD2 3.21Å; G89-D349 PolarHBondContact O-N 3.33Å
90	K	96.2	Very high	93.1	Very high	100 Å²	100	52.3 Å²	52.3	44%	0.435	28%	0.277	S	S	.	.	S	Bend	trans	-137.4	-22.8	179.9	59.9	173.5	-177.7	179.8	0	114.3	D88 R325 R346 D349	D88-K90 HydrophobicContact CB-CG 4.22Å; D88-K90 VanDerWaalsContact CG-CE 3.47Å; D88-K90 PolarHBondContact O-N 3.31Å; D88-K90 WeakPolarHBondContact OD1-CG 3.36Å; D88-K90 PolarHBondContact OD1-N 3.07Å; D88-K90 WeakPolarHBondContact OD2-CE 3.42Å; D88-K90 VanDerWaalsContact OD2-CG 3.26Å; D88-K90 WeakPolarHBondContact OD2-CG 3.33Å; D88-K90 IonicContact OD2-NZ 3.11Å; K90-R325 PolarHBondContact O-NH2 3.02Å; K90-R346 PolarHBondContact O-NH2 3.18Å; K90-D349 HydrophobicContact CB-CB 4.08Å
91	T	95.1	Very high	92.8	Very high	40 Å²	40	52.4 Å²	52.4	25%	0.245	28%	0.281	C	S	.	.			trans	-72.4	143.6	-178.7	-60.6	0	0	0	0	111.3	P85 D88 D93 C134 R346	P85-T91 HydrophobicContact CB-CG2 3.72Å; D88-T91 WeakPolarHBondContact OD1-CB 3.35Å; D88-T91 PolarHBondContact OD1-N 3.18Å; D88-T91 PolarHBondContact OD1-OG1 2.91Å; D88-T91 PolarHBondContact OD2-OG1 3.37Å; T91-D93 HydrophobicContact CG2-CB 4.15Å; T91-C134 WeakPolarHBondContact O-CB 3.41Å; T91-R346 PolarHBondContact O-NH1 2.94Å; T91-R346 PolarHBondContact O-NH2 2.68Å
92	F	93.3	Very high	92.8	Very high	31 Å²	31	52.2 Å²	52.2	14%	0.136	28%	0.28	C	S	.	.			trans	-129.4	111.4	167.1	-100	-101.3	0	0	0	105.1	C134 L343 F355 W358 F360	F92-C134 HydrophobicContact CD1-CB 4.09Å; F92-C134 HydrophobicContact CD2-CB 3.87Å; F92-C134 HydrophobicContact CE1-CB 4.01Å; F92-C134 HydrophobicContact CE2-CB 3.79Å; F92-C134 WeakPolarHBondContact CE2-SG 3.48Å; F92-C134 HydrophobicContact CG-CB 4.02Å; F92-C134 HydrophobicContact CZ-CB 3.85Å; F92-C134 WeakPolarHBondContact CZ-SG 3.29Å; F92-L343 HydrophobicContact CZ-CD1 4.03Å; F92-L343 HydrophobicContact CZ-CD2 4.45Å; F92-F355 AromaticContact CE1-CD1 3.89Å; F92-F355 HydrophobicContact CE1-CD1 3.89Å; F92-F355 AromaticContact CE1-CE1 3.89Å; F92-F355 HydrophobicContact CE1-CE1 3.89Å; F92-F355 AromaticContact CE2-CE1 3.96Å; F92-F355 HydrophobicContact CE2-CE1 3.96Å; F92-F355 AromaticContact CZ-CD1 3.94Å; F92-F355 HydrophobicContact CZ-CD1 3.94Å; F92-F355 AromaticContact CZ-CE1 3.44Å; F92-F355 HydrophobicContact CZ-CE1 3.44Å; F92-F355 VanDerWaalsContact CZ-CE1 3.44Å; F92-W358 AromaticContact CD1-CD2 3.6Å; F92-W358 HydrophobicContact CD1-CD2 3.6Å; F92-W358 AromaticContact CD1-CE2 3.51Å; F92-W358 AromaticContact CD1-CE3 3.93Å; F92-W358 HydrophobicContact CD1-CE3 3.93Å; F92-W358 HydrophobicContact CD1-CG 4.1Å; F92-W358 HydrophobicContact CD1-CH2 4.06Å; F92-W358 AromaticContact CD1-CZ2 3.76Å; F92-W358 HydrophobicContact CD1-CZ2 3.76Å; F92-W358 HydrophobicContact CD1-CZ3 4.14Å; F92-W358 AromaticContact CD1-NE1 3.91Å; F92-W358 AromaticContact CE1-CD1 3.78Å; F92-W358 AromaticContact CE1-CD2 3.91Å; F92-W358 HydrophobicContact CE1-CD2 3.91Å; F92-W358 AromaticContact CE1-CE2 3.68Å; F92-W358 AromaticContact CE1-CG 3.97Å; F92-W358 HydrophobicContact CE1-CG 3.97Å; F92-W358 HydrophobicContact CE1-CZ2 4.25Å; F92-W358 AromaticContact CE1-NE1 3.57Å; F92-F360 HydrophobicContact CE1-CE1 4.11Å; F92-F360 HydrophobicContact CE1-CZ 4.02Å; F92-F360 HydrophobicContact CZ-CE1 4.25Å; F92-F360 HydrophobicContact CZ-CZ 4.21Å
93	D	92.5	Very high	92.9	Very high	90 Å²	90	50.9 Å²	50.9	48%	0.481	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-157.9	163.3	178.6	-159.2	7.2	0	0	0	110.9	P85 T91 C134 G136 W358	P85-D93 HydrophobicContact CB-CB 3.93Å; P85-D93 HydrophobicContact CG-CB 3.82Å; P85-D93 VanDerWaalsContact CG-O 3.24Å; P85-D93 WeakPolarHBondContact CG-O 3.33Å; T91-D93 HydrophobicContact CG2-CB 4.15Å; D93-C134 PolarHBondContact N-O 3.11Å; D93-G136 PolarHBondContact O-N 2.89Å; D93-W358 WeakPolarHBondContact O-CH2 3.46Å
94	G	92.1	Very high	92.8	Very high	14 Å²	14	55.3 Å²	55.3	14%	0.144	29%	0.288	C	S	.	.			trans	-165.7	-176.2	-175.2	0	0	0	0	0	112.6	G96	G94-G96 PolarHBondContact O-N 2.88Å
95	P	90	Very high	92.7	Very high	8 Å²	8	57.4 Å²	57.4	5%	0.052	29%	0.288	C	S	.	.			trans	-62.5	133.9	-175.3	23.8	-32.4	0	0	0	111	T99 K100 F103 G136 Y137	P95-T99 HydrophobicContact CB-CG2 3.56Å; P95-K100 HydrophobicContact CB-CG 3.97Å; P95-K100 HydrophobicContact CG-CG 3.85Å; P95-K100 WeakPolarHBondContact O-CD 3.33Å; P95-K100 WeakPolarHBondContact O-CE 3.35Å; P95-K100 PolarHBondContact O-NZ 2.78Å; P95-F103 HydrophobicContact CB-CE2 4.18Å; P95-F103 HydrophobicContact CG-CE2 4.28Å; P95-G136 WeakPolarHBondContact CD-O 3.49Å; P95-Y137 HydrophobicContact CB-CD1 4.11Å; P95-Y137 HydrophobicContact CB-CE1 3.66Å; P95-Y137 HydrophobicContact CG-CD1 4.32Å; P95-Y137 HydrophobicContact CG-CE1 4.3Å
96	G	85.5	Confident	92.7	Very high	26 Å²	26	56.5 Å²	56.5	27%	0.268	28%	0.282	S	S	.	.			trans	-68.6	-172.9	171.2	0	0	0	0	0	112.2	D62 G94 K100	D62-G96 VanDerWaalsContact CG-CA 3.5Å; D62-G96 WeakPolarHBondContact OD1-CA 3.45Å; D62-G96 PolarHBondContact OD1-N 2.98Å; G94-G96 PolarHBondContact O-N 2.88Å; G96-K100 WeakPolarHBondContact O-CB 3.28Å; G96-K100 VanDerWaalsContact O-CG 3.3Å; G96-K100 WeakPolarHBondContact O-CG 3.35Å; G96-K100 PolarHBondContact O-N 2.81Å
97	R	87.1	Confident	92.5	Very high	224 Å²	224	51.3 Å²	51.3	85%	0.845	26%	0.259	S	S	*	.	H	α-helix	trans	-66.6	-41.7	-173.9	-177.2	-178.1	175.2	-167.3	-0.7	111.3	D62 A101	D62-R97 PolarHBondContact OD2-N 3.5Å; D62-R97 VanDerWaalsContact OD2-N 3.16Å; R97-A101 PolarHBondContact O-N 2.95Å; R97-A101 VanDerWaalsContact O-N 3.15Å
98	A	87	Confident	92.2	Very high	38 Å²	38	51.8 Å²	51.8	31%	0.314	26%	0.263	S	S	.	.	H	α-helix	trans	-69.3	-43.4	-179.2	0	0	0	0	0	110.6	D62 A66 A101 A102	D62-A98 PolarHBondContact OD1-N 2.95Å; D62-A98 WeakPolarHBondContact OD2-CB 3.37Å; D62-A98 PolarHBondContact OD2-N 3.49Å; A66-A98 VanDerWaalsContact CB-C 3.49Å; A66-A98 HydrophobicContact CB-CB 3.61Å; A98-A101 WeakPolarHBondContact O-CB 3.35Å; A98-A101 PolarHBondContact O-N 3.22Å; A98-A102 PolarHBondContact O-N 2.91Å
99	T	93.2	Very high	92.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.8	-41.9	178.7	-58.6	0	0	0	0	111.9	D62 E65 A66 L69 P95 A101 A102 F103 Y137	D62-T99 PolarHBondContact O-OG1 2.81Å; D62-T99 WeakPolarHBondContact OD1-CB 3.04Å; D62-T99 PolarHBondContact OD1-N 2.94Å; D62-T99 PolarHBondContact OD1-OG1 3.25Å; E65-T99 HydrophobicContact CB-CG2 4.04Å; E65-T99 WeakPolarHBondContact CB-OG1 3.48Å; E65-T99 PolarHBondContact OE2-OG1 3.24Å; A66-T99 PolarHBondContact N-OG1 3.35Å; L69-T99 HydrophobicContact CD1-CG2 3.67Å; P95-T99 HydrophobicContact CB-CG2 3.56Å; T99-A101 VanDerWaalsContact C-N 3.3Å; T99-A101 PolarHBondContact O-N 3.07Å; T99-A102 PolarHBondContact O-N 3.33Å; T99-A102 VanDerWaalsContact O-N 3.17Å; T99-F103 HydrophobicContact CG2-CD2 4.15Å; T99-F103 HydrophobicContact CG2-CE2 3.86Å; T99-F103 WeakPolarHBondContact O-CD2 3.45Å; T99-F103 PolarHBondContact O-N 3.18Å; T99-Y137 HydrophobicContact CG2-CE1 4.04Å
100	K	89	Confident	91.9	Very high	124 Å²	124	55.9 Å²	55.9	54%	0.539	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-40.6	172.4	-77.7	171.5	175.5	156.2	0	112.4	P95 G96 F103 Y104	P95-K100 HydrophobicContact CB-CG 3.97Å; P95-K100 HydrophobicContact CG-CG 3.85Å; P95-K100 WeakPolarHBondContact O-CD 3.33Å; P95-K100 WeakPolarHBondContact O-CE 3.35Å; P95-K100 PolarHBondContact O-NZ 2.78Å; G96-K100 WeakPolarHBondContact O-CB 3.28Å; G96-K100 VanDerWaalsContact O-CG 3.3Å; G96-K100 WeakPolarHBondContact O-CG 3.35Å; G96-K100 PolarHBondContact O-N 2.81Å; K100-F103 PolarHBondContact O-N 2.74Å; K100-Y104 PolarHBondContact O-N 2.95Å
101	A	89	Confident	91.7	Very high	57 Å²	57	51.4 Å²	51.4	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-39.6	175.9	0	0	0	0	0	111.9	R97 A98 T99 Y104 Q105	R97-A101 PolarHBondContact O-N 2.95Å; R97-A101 VanDerWaalsContact O-N 3.15Å; A98-A101 WeakPolarHBondContact O-CB 3.35Å; A98-A101 PolarHBondContact O-N 3.22Å; T99-A101 VanDerWaalsContact C-N 3.3Å; T99-A101 PolarHBondContact O-N 3.07Å; A101-Y104 PolarHBondContact O-N 2.77Å; A101-Q105 WeakPolarHBondContact O-CB 3.38Å; A101-Q105 PolarHBondContact O-N 3.11Å
102	A	96.2	Very high	91.6	Very high	5 Å²	5	55.9 Å²	55.9	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-40.9	176.3	0	0	0	0	0	112.3	A66 L69 Q73 A98 T99 G106	A66-A102 HydrophobicContact CB-CB 4.2Å; L69-A102 HydrophobicContact CB-CB 4.09Å; Q73-A102 PolarHBondContact NE2-O 3.07Å; A98-A102 PolarHBondContact O-N 2.91Å; T99-A102 PolarHBondContact O-N 3.33Å; T99-A102 VanDerWaalsContact O-N 3.17Å; A102-G106 PolarHBondContact O-N 3.38Å
103	F	94.2	Very high	91.4	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-51.2	171.3	-80.2	-58	0	0	0	111.8	L69 P95 T99 K100 Q105 G106 I107 F118 W120 Y137 Y142 T143	L69-F103 HydrophobicContact CD1-CD1 4.13Å; L69-F103 HydrophobicContact CD1-CD2 4.23Å; L69-F103 HydrophobicContact CD1-CE1 3.71Å; L69-F103 HydrophobicContact CD1-CE2 3.83Å; L69-F103 HydrophobicContact CD1-CG 4.37Å; L69-F103 HydrophobicContact CD1-CZ 3.56Å; L69-F103 HydrophobicContact CD2-CE1 4.49Å; P95-F103 HydrophobicContact CB-CE2 4.18Å; P95-F103 HydrophobicContact CG-CE2 4.28Å; T99-F103 HydrophobicContact CG2-CD2 4.15Å; T99-F103 HydrophobicContact CG2-CE2 3.86Å; T99-F103 WeakPolarHBondContact O-CD2 3.45Å; T99-F103 PolarHBondContact O-N 3.18Å; K100-F103 PolarHBondContact O-N 2.74Å; F103-Q105 VanDerWaalsContact C-N 3.34Å; F103-Q105 PolarHBondContact O-N 3.43Å; F103-G106 PolarHBondContact O-N 2.67Å; F103-G106 VanDerWaalsContact O-N 3.16Å; F103-I107 WeakPolarHBondContact O-CG1 3.23Å; F103-I107 PolarHBondContact O-N 2.63Å; F103-F118 HydrophobicContact CD1-CB 4.44Å; F103-F118 HydrophobicContact CD1-CD1 4.05Å; F103-F118 AromaticContact CD1-CD2 3.78Å; F103-F118 HydrophobicContact CD1-CD2 3.78Å; F103-F118 HydrophobicContact CD1-CE1 4.25Å; F103-F118 AromaticContact CD1-CE2 3.97Å; F103-F118 HydrophobicContact CD1-CE2 3.97Å; F103-F118 AromaticContact CD1-CG 3.82Å; F103-F118 HydrophobicContact CD1-CG 3.82Å; F103-F118 HydrophobicContact CD1-CZ 4.21Å; F103-F118 HydrophobicContact CE1-CB 4.04Å; F103-F118 AromaticContact CE1-CD1 3.87Å; F103-F118 HydrophobicContact CE1-CD1 3.87Å; F103-F118 HydrophobicContact CE1-CD2 4.21Å; F103-F118 HydrophobicContact CE1-CE1 4.41Å; F103-F118 AromaticContact CE1-CG 3.77Å; F103-F118 HydrophobicContact CE1-CG 3.77Å; F103-W120 HydrophobicContact CE1-CE3 4.4Å; F103-W120 HydrophobicContact CE1-CH2 4.4Å; F103-W120 AromaticContact CE1-CZ3 3.76Å; F103-W120 HydrophobicContact CE1-CZ3 3.76Å; F103-W120 HydrophobicContact CZ-CE3 4.26Å; F103-W120 AromaticContact CZ-CH2 3.77Å; F103-W120 HydrophobicContact CZ-CH2 3.77Å; F103-W120 AromaticContact CZ-CZ3 3.54Å; F103-W120 HydrophobicContact CZ-CZ3 3.54Å; F103-Y137 HydrophobicContact CE2-CD1 4.19Å; F103-Y137 HydrophobicContact CZ-CD1 4.35Å; F103-Y142 HydrophobicContact CB-CD2 3.8Å; F103-Y142 HydrophobicContact CB-CG 4.35Å; F103-T143 HydrophobicContact CE1-CG2 3.81Å; F103-T143 HydrophobicContact CZ-CG2 3.98Å
104	Y	91.9	Very high	91.1	Very high	133 Å²	133	56 Å²	56	52%	0.522	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-43.1	-178.4	-176.2	-98.9	0	0	0	111.9	K100 A101 I107 T108	K100-Y104 PolarHBondContact O-N 2.95Å; A101-Y104 PolarHBondContact O-N 2.77Å; Y104-I107 HydrophobicContact CD2-CD1 4.44Å; Y104-I107 WeakPolarHBondContact O-CG1 3.32Å; Y104-T108 HydrophobicContact CD1-CG2 4.48Å; Y104-T108 HydrophobicContact CD2-CG2 4.46Å; Y104-T108 HydrophobicContact CE1-CG2 4.11Å; Y104-T108 HydrophobicContact CE2-CG2 4.09Å; Y104-T108 WeakPolarHBondContact O-CB 3.23Å; Y104-T108 WeakPolarHBondContact O-CG2 3.37Å; Y104-T108 PolarHBondContact O-N 3.02Å; Y104-T108 PolarHBondContact O-OG1 2.76Å
105	Q	93.9	Very high	91.1	Very high	79 Å²	79	55.4 Å²	55.4	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-46	173.9	-172.2	-179.8	11.5	0	0	111.1	A101 F103 I107 T108 E109 G110	A101-Q105 WeakPolarHBondContact O-CB 3.38Å; A101-Q105 PolarHBondContact O-N 3.11Å; F103-Q105 VanDerWaalsContact C-N 3.34Å; F103-Q105 PolarHBondContact O-N 3.43Å; Q105-I107 PolarHBondContact O-N 3.46Å; Q105-T108 PolarHBondContact O-N 3.17Å; Q105-T108 PolarHBondContact O-OG1 2.67Å; Q105-E109 HydrophobicContact CG-CB 4.27Å; Q105-E109 HydrophobicContact CG-CG 4.35Å; Q105-E109 WeakPolarHBondContact CG-OE2 3.25Å; Q105-E109 PolarHBondContact NE2-OE2 3.24Å; Q105-E109 WeakPolarHBondContact O-CB 3.38Å; Q105-E109 PolarHBondContact O-N 3.05Å; Q105-G110 PolarHBondContact O-N 3.37Å
106	G	95	Very high	91.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-46.4	-178.6	0	0	0	0	0	112.5	Q73 A102 F103 T108 G110 G115 N116	Q73-G106 VanDerWaalsContact NE2-CA 3.26Å; A102-G106 PolarHBondContact O-N 3.38Å; F103-G106 PolarHBondContact O-N 2.67Å; F103-G106 VanDerWaalsContact O-N 3.16Å; G106-T108 VanDerWaalsContact C-N 3.34Å; G106-T108 PolarHBondContact O-N 3.03Å; G106-G110 VanDerWaalsContact O-CA 3.31Å; G106-G110 WeakPolarHBondContact O-CA 3.31Å; G106-G110 PolarHBondContact O-N 3.43Å; G106-G110 VanDerWaalsContact O-N 3.12Å; G106-G115 CarbonylContact O-C 3.56Å; G106-G115 VanDerWaalsContact O-CA 3.28Å; G106-G115 WeakPolarHBondContact O-CA 3.39Å; G106-N116 WeakPolarHBondContact CA-OD1 3.5Å; G106-N116 PolarHBondContact O-N 3.09Å; G106-N116 PolarHBondContact O-OD1 3.48Å; G106-N116 VanDerWaalsContact O-OD1 3.11Å
107	I	91.6	Very high	91.5	Very high	38 Å²	38	53.9 Å²	53.9	20%	0.195	27%	0.272	C	S	.	.	H	α-helix	trans	-74.1	-20	-179.6	63.1	92.4	0	0	0	114	F103 Y104 Q105 G115 F118 Y142	F103-I107 WeakPolarHBondContact O-CG1 3.23Å; F103-I107 PolarHBondContact O-N 2.63Å; Y104-I107 HydrophobicContact CD2-CD1 4.44Å; Y104-I107 WeakPolarHBondContact O-CG1 3.32Å; Q105-I107 PolarHBondContact O-N 3.46Å; I107-G115 WeakPolarHBondContact O-CA 3.44Å; I107-F118 HydrophobicContact CG2-CD2 3.96Å; I107-F118 HydrophobicContact CG2-CE2 3.83Å; I107-Y142 HydrophobicContact CD1-CD1 4.06Å; I107-Y142 HydrophobicContact CD1-CE1 4Å; I107-Y142 HydrophobicContact CG1-CD1 3.74Å; I107-Y142 HydrophobicContact CG1-CE1 4.1Å; I107-Y142 HydrophobicContact CG1-CG 4.3Å; I107-Y142 HydrophobicContact CG2-CD1 4.33Å; I107-Y142 HydrophobicContact CG2-CG 4.43Å
108	T	90.2	Very high	91.9	Very high	53 Å²	53	43.3 Å²	43.3	33%	0.325	23%	0.232	S	C	.	.	H	α-helix	trans	-98.4	-42.4	-179.2	52	0	0	0	0	113.5	Y104 Q105 G106	Y104-T108 HydrophobicContact CD1-CG2 4.48Å; Y104-T108 HydrophobicContact CD2-CG2 4.46Å; Y104-T108 HydrophobicContact CE1-CG2 4.11Å; Y104-T108 HydrophobicContact CE2-CG2 4.09Å; Y104-T108 WeakPolarHBondContact O-CB 3.23Å; Y104-T108 WeakPolarHBondContact O-CG2 3.37Å; Y104-T108 PolarHBondContact O-N 3.02Å; Y104-T108 PolarHBondContact O-OG1 2.76Å; Q105-T108 PolarHBondContact O-N 3.17Å; Q105-T108 PolarHBondContact O-OG1 2.67Å; G106-T108 VanDerWaalsContact C-N 3.34Å; G106-T108 PolarHBondContact O-N 3.03Å
109	E	93.5	Very high	92.3	Very high	113 Å²	113	41.5 Å²	41.5	53%	0.528	22%	0.217	S	C	.	.	H	α-helix	trans	-108.3	-28.2	-171.4	-62.7	175.9	-167.9	0	0	112.7	N74 Q105 G113	N74-E109 PolarHBondContact OD1-O 2.86Å; Q105-E109 HydrophobicContact CG-CB 4.27Å; Q105-E109 HydrophobicContact CG-CG 4.35Å; Q105-E109 WeakPolarHBondContact CG-OE2 3.25Å; Q105-E109 PolarHBondContact NE2-OE2 3.24Å; Q105-E109 WeakPolarHBondContact O-CB 3.38Å; Q105-E109 PolarHBondContact O-N 3.05Å; E109-G113 PolarHBondContact O-N 3.21Å
110	G	93.9	Very high	92.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	158.6	-177.3	0	0	0	0	0	114.2	Q105 G106 N112 G113 K114 G115 N116	Q105-G110 PolarHBondContact O-N 3.37Å; G106-G110 VanDerWaalsContact O-CA 3.31Å; G106-G110 WeakPolarHBondContact O-CA 3.31Å; G106-G110 PolarHBondContact O-N 3.43Å; G106-G110 VanDerWaalsContact O-N 3.12Å; G110-N112 PolarHBondContact O-N 3.46Å; G110-G113 PolarHBondContact O-N 2.94Å; G110-G113 VanDerWaalsContact O-N 3.08Å; G110-K114 PolarHBondContact O-N 3.45Å; G110-K114 VanDerWaalsContact O-N 3.1Å; G110-G115 WeakPolarHBondContact O-CA 3.35Å; G110-G115 PolarHBondContact O-N 3.01Å; G110-N116 VanDerWaalsContact CA-OD1 3.28Å; G110-N116 WeakPolarHBondContact CA-OD1 2.96Å
111	R	92.6	Very high	92.9	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	50.6	40.9	-175.7	-67.2	170.2	63.7	-139.8	1.5	112.6	Q73 N74 D77 K114 G115 L210 L212	Q73-R111 PolarHBondContact O-N 3.39Å; N74-R111 PolarHBondContact OD1-N 3.41Å; D77-R111 HydrophobicContact CB-CG 4.3Å; D77-R111 WeakPolarHBondContact O-CD 3.21Å; D77-R111 VanDerWaalsContact OD1-CD 3.31Å; D77-R111 WeakPolarHBondContact OD1-CD 3.35Å; D77-R111 WeakPolarHBondContact OD1-CG 3.39Å; D77-R111 IonicContact OD1-CZ 2.79Å; D77-R111 IonicContact OD1-NE 3.4Å; D77-R111 PolarHBondContact OD1-NE 3.09Å; R111-K114 HydrophobicContact CB-CB 3.98Å; R111-K114 WeakPolarHBondContact O-CG 3.49Å; R111-K114 PolarHBondContact O-N 2.93Å; R111-G115 VanDerWaalsContact CD-O 3.29Å; R111-G115 WeakPolarHBondContact CD-O 3.27Å; R111-G115 PolarHBondContact NH1-O 3.3Å; R111-L210 VanDerWaalsContact NH2-C 3.27Å; R111-L210 PolarHBondContact NH2-O 3.13Å; R111-L212 PolarHBondContact NH1-O 3.03Å; R111-L212 PolarHBondContact NH2-O 3.15Å; R111-L212 VanDerWaalsContact NH2-O 3.07Å
112	N	92.5	Very high	93.3	Very high	134 Å²	134	33.1 Å²	33.1	72%	0.717	17%	0.17	S	C	*	.	H	α-helix	trans	57.4	46.8	-177.2	-47.8	-70.9	0	0	0	112.3	N74 G110	N74-N112 PolarHBondContact OD1-N 2.8Å; G110-N112 PolarHBondContact O-N 3.46Å
113	G	89.4	Confident	93.3	Very high	43 Å²	43	33.1 Å²	33.1	44%	0.443	17%	0.171	S	C	.	.	H	α-helix	trans	83.6	5.6	178.8	0	0	0	0	0	115.8	E109 G110	E109-G113 PolarHBondContact O-N 3.21Å; G110-G113 PolarHBondContact O-N 2.94Å; G110-G113 VanDerWaalsContact O-N 3.08Å
114	K	85.8	Confident	93.5	Very high	82 Å²	82	35.2 Å²	35.2	36%	0.357	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-16.3	173.6	-63.7	178.8	-177.2	178.7	0	113	G110 R111 E213 V214	G110-K114 PolarHBondContact O-N 3.45Å; G110-K114 VanDerWaalsContact O-N 3.1Å; R111-K114 HydrophobicContact CB-CB 3.98Å; R111-K114 WeakPolarHBondContact O-CG 3.49Å; R111-K114 PolarHBondContact O-N 2.93Å; K114-E213 HydrophobicContact CB-CG 4.39Å; K114-E213 WeakPolarHBondContact O-CA 3.44Å; K114-E213 WeakPolarHBondContact O-CB 3.5Å; K114-V214 PolarHBondContact O-N 2.95Å
115	G	91.5	Very high	93.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.			trans	81.5	130.5	-175.1	0	0	0	0	0	113.1	G106 I107 G110 R111 V214	G106-G115 CarbonylContact O-C 3.56Å; G106-G115 VanDerWaalsContact O-CA 3.28Å; G106-G115 WeakPolarHBondContact O-CA 3.39Å; I107-G115 WeakPolarHBondContact O-CA 3.44Å; G110-G115 WeakPolarHBondContact O-CA 3.35Å; G110-G115 PolarHBondContact O-N 3.01Å; R111-G115 VanDerWaalsContact CD-O 3.29Å; R111-G115 WeakPolarHBondContact CD-O 3.27Å; R111-G115 PolarHBondContact NH1-O 3.3Å; G115-V214 WeakPolarHBondContact O-CG2 3.49Å
116	N	92.3	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.			trans	-63	147.4	170.5	-63.4	116.6	0	0	0	111.6	Q73 I76 Y79 G106 G110 F118 V214	Q73-N116 VanDerWaalsContact CB-OD1 3.26Å; Q73-N116 WeakPolarHBondContact CB-OD1 3.34Å; Q73-N116 VanDerWaalsContact CG-OD1 3.26Å; Q73-N116 WeakPolarHBondContact CG-OD1 2.94Å; Q73-N116 PolarHBondContact O-ND2 3.01Å; I76-N116 PolarHBondContact O-ND2 3.11Å; Y79-N116 HydrophobicContact CD2-CB 4.05Å; Y79-N116 HydrophobicContact CE2-CB 3.81Å; G106-N116 WeakPolarHBondContact CA-OD1 3.5Å; G106-N116 PolarHBondContact O-N 3.09Å; G106-N116 PolarHBondContact O-OD1 3.48Å; G106-N116 VanDerWaalsContact O-OD1 3.11Å; G110-N116 VanDerWaalsContact CA-OD1 3.28Å; G110-N116 WeakPolarHBondContact CA-OD1 2.96Å; N116-F118 HydrophobicContact CB-CE1 4.49Å; N116-F118 HydrophobicContact CB-CE2 3.85Å; N116-F118 HydrophobicContact CB-CZ 3.81Å; N116-V214 WeakPolarHBondContact O-CG2 3.2Å
117	I	92.6	Very high	93.7	Very high	3 Å²	3	28 Å²	28	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.4	176.2	-58	166.2	0	0	0	108	D77 I78 Y79 I119 L210 V214 M217	D77-I117 PolarHBondContact O-N 2.92Å; I78-I117 CarbonylContact C-O 3.58Å; I78-I117 WeakPolarHBondContact CA-O 3.48Å; I78-I117 HydrophobicContact CB-CB 4.48Å; I78-I117 HydrophobicContact CD1-CB 4.15Å; I78-I117 HydrophobicContact CD1-CD1 3.76Å; I78-I117 HydrophobicContact CD1-CG2 4.27Å; I78-I117 HydrophobicContact CG1-CB 4.04Å; I78-I117 HydrophobicContact CG1-CD1 4.08Å; I78-I117 HydrophobicContact CG2-CB 4.34Å; I78-I117 HydrophobicContact CG2-CG2 4.36Å; Y79-I117 PolarHBondContact N-O 3.14Å; I117-I119 HydrophobicContact CG2-CG1 4.1Å; I117-L210 HydrophobicContact CD1-CD2 4.19Å; I117-V214 HydrophobicContact CG1-CG2 4.34Å; I117-M217 HydrophobicContact CD1-CE 3.34Å
118	F	94.3	Very high	93.8	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.5	175.5	-59.8	-79.6	0	0	0	109.1	L69 Y79 F103 I107 N116 T143 L144	L69-F118 HydrophobicContact CB-CE1 4.28Å; L69-F118 HydrophobicContact CD2-CD1 4.01Å; L69-F118 HydrophobicContact CD2-CE1 3.97Å; Y79-F118 HydrophobicContact CD1-CE1 4.48Å; Y79-F118 AromaticContact CD2-CD1 3.86Å; Y79-F118 HydrophobicContact CD2-CD1 3.86Å; Y79-F118 AromaticContact CD2-CE1 3.45Å; Y79-F118 HydrophobicContact CD2-CE1 3.45Å; Y79-F118 VanDerWaalsContact CD2-CE1 3.45Å; Y79-F118 HydrophobicContact CD2-CZ 4.14Å; Y79-F118 HydrophobicContact CE2-CE1 4.01Å; Y79-F118 HydrophobicContact CE2-CZ 4.39Å; Y79-F118 AromaticContact CG-CD1 3.93Å; Y79-F118 HydrophobicContact CG-CD1 3.93Å; Y79-F118 AromaticContact CG-CE1 3.74Å; Y79-F118 HydrophobicContact CG-CE1 3.74Å; F103-F118 HydrophobicContact CD1-CB 4.44Å; F103-F118 HydrophobicContact CD1-CD1 4.05Å; F103-F118 AromaticContact CD1-CD2 3.78Å; F103-F118 HydrophobicContact CD1-CD2 3.78Å; F103-F118 HydrophobicContact CD1-CE1 4.25Å; F103-F118 AromaticContact CD1-CE2 3.97Å; F103-F118 HydrophobicContact CD1-CE2 3.97Å; F103-F118 AromaticContact CD1-CG 3.82Å; F103-F118 HydrophobicContact CD1-CG 3.82Å; F103-F118 HydrophobicContact CD1-CZ 4.21Å; F103-F118 HydrophobicContact CE1-CB 4.04Å; F103-F118 AromaticContact CE1-CD1 3.87Å; F103-F118 HydrophobicContact CE1-CD1 3.87Å; F103-F118 HydrophobicContact CE1-CD2 4.21Å; F103-F118 HydrophobicContact CE1-CE1 4.41Å; F103-F118 AromaticContact CE1-CG 3.77Å; F103-F118 HydrophobicContact CE1-CG 3.77Å; I107-F118 HydrophobicContact CG2-CD2 3.96Å; I107-F118 HydrophobicContact CG2-CE2 3.83Å; N116-F118 HydrophobicContact CB-CE1 4.49Å; N116-F118 HydrophobicContact CB-CE2 3.85Å; N116-F118 HydrophobicContact CB-CZ 3.81Å; F118-T143 HydrophobicContact CB-CG2 4.16Å; F118-T143 CarbonylContact O-C 3.44Å; F118-T143 WeakPolarHBondContact O-CA 3.42Å; F118-L144 PolarHBondContact O-N 2.94Å
119	I	95.2	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.5	175.1	-54.7	178.2	0	0	0	108.1	I78 Y79 A81 I117 V146 A200 A203 A204 S206	I78-I119 HydrophobicContact CG2-CD1 3.62Å; I78-I119 HydrophobicContact CG2-CG1 3.88Å; Y79-I119 PolarHBondContact O-N 3.49Å; A81-I119 PolarHBondContact N-O 3.18Å; I117-I119 HydrophobicContact CG2-CG1 4.1Å; I119-V146 HydrophobicContact CG2-CG2 3.82Å; I119-A200 HydrophobicContact CG2-CB 4.01Å; I119-A200 WeakPolarHBondContact CG2-O 3.43Å; I119-A203 HydrophobicContact CD1-CB 4.47Å; I119-A203 WeakPolarHBondContact CD1-O 3.45Å; I119-A203 HydrophobicContact CG2-CB 3.96Å; I119-A204 HydrophobicContact CD1-CB 4.29Å; I119-S206 WeakPolarHBondContact CD1-OG 3.45Å
120	W	97	Very high	94.2	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136	-176.4	-134.5	-90.2	0	0	0	111.8	L69 A81 W83 F103 Y137 T143 L144 S145 V146	L69-W120 HydrophobicContact CD2-CH2 4.32Å; L69-W120 HydrophobicContact CD2-CZ3 4.18Å; A81-W120 HydrophobicContact CB-CD2 3.9Å; A81-W120 HydrophobicContact CB-CE3 3.67Å; A81-W120 HydrophobicContact CB-CH2 3.6Å; A81-W120 HydrophobicContact CB-CZ2 3.8Å; A81-W120 HydrophobicContact CB-CZ3 3.52Å; A81-W120 WeakPolarHBondContact O-CA 3.44Å; W83-W120 HydrophobicContact CD2-CH2 4.28Å; W83-W120 AromaticContact CD2-CZ2 3.79Å; W83-W120 HydrophobicContact CD2-CZ2 3.79Å; W83-W120 AromaticContact CE2-CH2 3.74Å; W83-W120 AromaticContact CE2-CZ2 3.74Å; W83-W120 HydrophobicContact CE3-CH2 4.44Å; W83-W120 AromaticContact CE3-CZ2 3.84Å; W83-W120 HydrophobicContact CE3-CZ2 3.84Å; W83-W120 AromaticContact CH2-CH2 3.6Å; W83-W120 HydrophobicContact CH2-CH2 3.6Å; W83-W120 AromaticContact CH2-CZ2 3.82Å; W83-W120 HydrophobicContact CH2-CZ2 3.82Å; W83-W120 AromaticContact CZ2-CH2 3.38Å; W83-W120 HydrophobicContact CZ2-CH2 3.38Å; W83-W120 AromaticContact CZ2-CZ2 3.77Å; W83-W120 HydrophobicContact CZ2-CZ2 3.77Å; W83-W120 HydrophobicContact CZ3-CH2 4.15Å; W83-W120 AromaticContact CZ3-CZ2 3.87Å; W83-W120 HydrophobicContact CZ3-CZ2 3.87Å; W83-W120 WeakPolarHBondContact O-CZ2 3.29Å; W83-W120 PolarHBondContact O-NE1 2.98Å; F103-W120 HydrophobicContact CE1-CE3 4.4Å; F103-W120 HydrophobicContact CE1-CH2 4.4Å; F103-W120 AromaticContact CE1-CZ3 3.76Å; F103-W120 HydrophobicContact CE1-CZ3 3.76Å; F103-W120 HydrophobicContact CZ-CE3 4.26Å; F103-W120 AromaticContact CZ-CH2 3.77Å; F103-W120 HydrophobicContact CZ-CH2 3.77Å; F103-W120 AromaticContact CZ-CZ3 3.54Å; F103-W120 HydrophobicContact CZ-CZ3 3.54Å; W120-Y137 VanDerWaalsContact CE2-CB 3.5Å; W120-Y137 HydrophobicContact CH2-CD1 4.01Å; W120-Y137 AromaticContact CZ2-CD1 3.6Å; W120-Y137 HydrophobicContact CZ2-CD1 3.6Å; W120-Y137 AromaticContact CZ2-CG 3.83Å; W120-Y137 HydrophobicContact CZ2-CG 3.83Å; W120-T143 HydrophobicContact CB-CG2 4.39Å; W120-T143 HydrophobicContact CD2-CG2 4.22Å; W120-T143 HydrophobicContact CE3-CG2 3.75Å; W120-T143 HydrophobicContact CZ3-CG2 4.4Å; W120-L144 PolarHBondContact N-O 2.83Å; W120-S145 CarbonylContact O-C 3.54Å; W120-S145 WeakPolarHBondContact O-CA 3.18Å; W120-V146 PolarHBondContact O-N 2.93Å
121	A	97.7	Very high	94.3	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.2	168.8	0	0	0	0	0	110.1	A81 G123 T196 A200	A81-A121 PolarHBondContact O-N 3.03Å; A121-G123 PolarHBondContact O-N 2.87Å; A121-G123 VanDerWaalsContact O-N 3.12Å; A121-T196 HydrophobicContact CB-CG2 3.93Å; A121-T196 WeakPolarHBondContact CB-O 3.48Å; A121-A200 HydrophobicContact CB-CB 4Å
122	S	97.6	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.			trans	-77.4	14.9	-178.9	80.3	0	0	0	0	115.4	C132 V146 S147	S122-C132 VanDerWaalsContact O-CB 3.26Å; S122-C132 WeakPolarHBondContact O-CB 3.27Å; S122-V146 PolarHBondContact N-O 3.06Å; S122-S147 WeakPolarHBondContact OG-CB 3.48Å; S122-S147 PolarHBondContact OG-OG 3.11Å; S122-S147 VanDerWaalsContact OG-OG 3.11Å
123	G	97.2	Very high	94.9	Very high	6 Å²	6	18 Å²	18	6%	0.062	11%	0.106	C	C	.	.			trans	89.7	166.2	-179.8	0	0	0	0	0	116.1	A121 E160 T196	A121-G123 PolarHBondContact O-N 2.87Å; A121-G123 VanDerWaalsContact O-N 3.12Å; G123-E160 WeakPolarHBondContact CA-OE1 3.26Å; G123-T196 VanDerWaalsContact O-CB 3.3Å; G123-T196 WeakPolarHBondContact O-CB 3.4Å; G123-T196 PolarHBondContact O-OG1 3.26Å
124	N	96.9	Very high	95.3	Very high	45 Å²	45	16.2 Å²	16.2	24%	0.241	9%	0.086	C	C	.	.	S	Bend	trans	-123.5	11.7	-175.2	-59.9	-67	0	0	0	114.2	D87 G126 Y158 E160 G195 T196	D87-N124 WeakPolarHBondContact OD2-CA 3.07Å; D87-N124 WeakPolarHBondContact OD2-CB 3.09Å; D87-N124 PolarHBondContact OD2-N 3.33Å; N124-G126 VanDerWaalsContact C-N 3.25Å; N124-G126 PolarHBondContact O-N 2.85Å; N124-Y158 CarbonylContact C-O 3.48Å; N124-Y158 WeakPolarHBondContact CA-O 3.34Å; N124-E160 PolarHBondContact N-OE1 2.99Å; N124-G195 WeakPolarHBondContact OD1-CA 3.43Å; N124-T196 PolarHBondContact OD1-N 2.84Å; N124-T196 PolarHBondContact OD1-OG1 2.88Å
125	G	97.1	Very high	95.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-80.2	11.2	-174.9	0	0	0	0	0	115.6	D87 S127 H128 Q129 D130 Y158 E160	D87-G125 VanDerWaalsContact O-CA 3.31Å; D87-G125 WeakPolarHBondContact O-CA 3.3Å; G125-S127 VanDerWaalsContact C-N 3.26Å; G125-S127 PolarHBondContact O-N 3.09Å; G125-S127 VanDerWaalsContact O-N 3.16Å; G125-H128 CarbonylContact O-C 3.55Å; G125-H128 WeakPolarHBondContact O-CA 3.49Å; G125-H128 WeakPolarHBondContact O-CB 3.19Å; G125-H128 PolarHBondContact O-N 3Å; G125-Q129 PolarHBondContact O-N 3.47Å; G125-D130 WeakPolarHBondContact O-CB 3.4Å; G125-D130 PolarHBondContact O-N 3.48Å; G125-Y158 PolarHBondContact N-O 3.45Å; G125-E160 WeakPolarHBondContact CA-OE1 3.3Å; G125-E160 PolarHBondContact N-OE1 2.82Å
126	G	95.2	Very high	96.1	Very high	4 Å²	4	13.4 Å²	13.4	4%	0.041	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-55.8	-35.8	-176.5	0	0	0	0	0	114.5	N124 H128 Q129 W157 Y158 L159	N124-G126 VanDerWaalsContact C-N 3.25Å; N124-G126 PolarHBondContact O-N 2.85Å; G126-H128 VanDerWaalsContact C-N 3.27Å; G126-H128 PolarHBondContact O-N 3.39Å; G126-Q129 PolarHBondContact O-N 2.94Å; G126-Q129 VanDerWaalsContact O-N 3.15Å; G126-W157 CarbonylContact C-O 3.56Å; G126-Y158 PolarHBondContact N-O 3.43Å; G126-L159 VanDerWaalsContact CA-O 3.25Å; G126-L159 WeakPolarHBondContact CA-O 3.34Å
127	S	93.1	Very high	96.3	Very high	57 Å²	57	13.8 Å²	13.8	40%	0.399	8%	0.08	S	C	.	.	G	3₁₀ helix	trans	-72.4	-20.9	174.9	49.4	0	0	0	0	114	G125 Q129 W157	G125-S127 VanDerWaalsContact C-N 3.26Å; G125-S127 PolarHBondContact O-N 3.09Å; G125-S127 VanDerWaalsContact O-N 3.16Å; S127-Q129 VanDerWaalsContact C-N 3.29Å; S127-W157 PolarHBondContact N-O 2.83Å
128	H	93.3	Very high	96.5	Very high	88 Å²	88	13.7 Å²	13.7	41%	0.407	8%	0.079	S	C	.	.	G	3₁₀ helix	trans	-92.3	9	172.7	-61.8	-76.4	0	0	0	111.6	D87 G125 G126 D130 H348	D87-H128 PolarHBondContact O-CD2 2.81Å; G125-H128 CarbonylContact O-C 3.55Å; G125-H128 WeakPolarHBondContact O-CA 3.49Å; G125-H128 WeakPolarHBondContact O-CB 3.19Å; G125-H128 PolarHBondContact O-N 3Å; G126-H128 VanDerWaalsContact C-N 3.27Å; G126-H128 PolarHBondContact O-N 3.39Å; H128-D130 PolarHBondContact O-N 2.97Å; H128-H348 PolarHBondContact O-CD2 3.47Å
129	Q	94.6	Very high	96.6	Very high	28 Å²	28	13.8 Å²	13.8	13%	0.131	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	38.3	-175.1	-58.2	-179.5	44.3	0	0	111.9	G125 G126 S127	G125-Q129 PolarHBondContact O-N 3.47Å; G126-Q129 PolarHBondContact O-N 2.94Å; G126-Q129 VanDerWaalsContact O-N 3.15Å; S127-Q129 VanDerWaalsContact C-N 3.29Å
130	D	97.6	Very high	96.6	Very high	16 Å²	16	14.5 Å²	14.5	9%	0.086	9%	0.085	C	C	.	.			trans	-73.6	163.5	173.9	-147.2	-9.7	0	0	0	111.6	D88 G89 G125 H128 E160 R346	D88-D130 PolarHBondContact N-OD2 2.77Å; G89-D130 PolarHBondContact N-OD2 3.21Å; G125-D130 WeakPolarHBondContact O-CB 3.4Å; G125-D130 PolarHBondContact O-N 3.48Å; H128-D130 PolarHBondContact O-N 2.97Å; D130-E160 HydrophobicContact CB-CG 4.14Å; D130-R346 IonicContact OD1-CZ 2.77Å; D130-R346 IonicContact OD1-NH1 2.67Å; D130-R346 PolarHBondContact OD1-NH1 3.48Å
131	S	97.9	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.			trans	-133.1	117.6	177.6	162.2	0	0	0	0	108.1	S133 C134 E161 P344	S131-S133 PolarHBondContact O-N 3.15Å; S131-S133 WeakPolarHBondContact OG-CB 3.5Å; S131-S133 PolarHBondContact OG-N 2.85Å; S131-S133 PolarHBondContact OG-OG 3.38Å; S131-C134 WeakPolarHBondContact O-CB 3.13Å; S131-C134 PolarHBondContact O-N 3.35Å; S131-C134 PolarHBondContact O-SG 2.81Å; S131-E161 PolarHBondContact OG-O 2.93Å; S131-P344 VanDerWaalsContact OG-CD 3.3Å; S131-P344 WeakPolarHBondContact OG-CD 3.11Å
132	C	98.3	Very high	96.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-59.8	-10.9	178.6	42.9	0	0	0	0	114	S122 C134 D135 T138 T139 E160 E161 C162	S122-C132 VanDerWaalsContact O-CB 3.26Å; S122-C132 WeakPolarHBondContact O-CB 3.27Å; C132-C134 PolarHBondContact O-N 3.02Å; C132-C134 VanDerWaalsContact O-N 3.14Å; C132-D135 PolarHBondContact O-N 2.91Å; C132-D135 VanDerWaalsContact O-N 3.07Å; C132-T138 HydrophobicContact CB-CG2 3.76Å; C132-T138 WeakPolarHBondContact O-CG2 3.34Å; C132-T139 WeakPolarHBondContact O-CG2 3.27Å; C132-E160 WeakPolarHBondContact CA-OE2 3.42Å; C132-E160 HydrophobicContact CB-CB 3.98Å; C132-E160 PolarHBondContact N-OE2 2.84Å; C132-E160 VanDerWaalsContact N-OE2 3.14Å; C132-E161 VanDerWaalsContact SG-C 3.56Å; C132-C162 HydrophobicContact CB-CB 3.98Å; C132-C162 WeakPolarHBondContact CB-SG 3.41Å; C132-C162 WeakPolarHBondContact SG-CB 3.32Å; C132-C162 PolarHBondContact SG-N 3.15Å; C132-C162 VanDerWaalsContact SG-N 3.41Å; C132-C162 CovalentContact SG-SG 2.02Å; C132-C162 PolarHBondContact SG-SG 2.89Å
133	S	98.1	Very high	96.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-59	-16.9	165.1	-60.9	0	0	0	0	114.9	S131 C162 I342 W358	S131-S133 PolarHBondContact O-N 3.15Å; S131-S133 WeakPolarHBondContact OG-CB 3.5Å; S131-S133 PolarHBondContact OG-N 2.85Å; S131-S133 PolarHBondContact OG-OG 3.38Å; S133-C162 VanDerWaalsContact N-CB 3.32Å; S133-C162 VanDerWaalsContact OG-CB 3.29Å; S133-C162 WeakPolarHBondContact OG-CB 3.47Å; S133-I342 WeakPolarHBondContact CB-O 3.19Å; S133-I342 PolarHBondContact OG-O 2.87Å; S133-W358 PolarHBondContact O-NE1 2.96Å
134	C	97.6	Very high	96.1	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.027	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-93.3	-4.1	178.8	-44.4	0	0	0	0	112.3	T91 F92 D93 S131 C132 R346 W358	T91-C134 WeakPolarHBondContact O-CB 3.41Å; F92-C134 HydrophobicContact CD1-CB 4.09Å; F92-C134 HydrophobicContact CD2-CB 3.87Å; F92-C134 HydrophobicContact CE1-CB 4.01Å; F92-C134 HydrophobicContact CE2-CB 3.79Å; F92-C134 WeakPolarHBondContact CE2-SG 3.48Å; F92-C134 HydrophobicContact CG-CB 4.02Å; F92-C134 HydrophobicContact CZ-CB 3.85Å; F92-C134 WeakPolarHBondContact CZ-SG 3.29Å; D93-C134 PolarHBondContact N-O 3.11Å; S131-C134 WeakPolarHBondContact O-CB 3.13Å; S131-C134 PolarHBondContact O-N 3.35Å; S131-C134 PolarHBondContact O-SG 2.81Å; C132-C134 PolarHBondContact O-N 3.02Å; C132-C134 VanDerWaalsContact O-N 3.14Å; C134-R346 PolarHBondContact SG-NH1 3.12Å; C134-R346 VanDerWaalsContact SG-NH1 3.44Å; C134-W358 WeakPolarHBondContact O-CZ2 3.31Å
135	D	97.9	Very high	96.1	Very high	10 Å²	10	16 Å²	16	5%	0.053	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-101.3	112.9	174.5	167.5	4.3	0	0	0	109.4	P85 C132 Y137 T138 T139	P85-D135 VanDerWaalsContact CD-CG 3.47Å; P85-D135 WeakPolarHBondContact CD-OD1 3.17Å; P85-D135 HydrophobicContact CG-CB 4.17Å; C132-D135 PolarHBondContact O-N 2.91Å; C132-D135 VanDerWaalsContact O-N 3.07Å; D135-Y137 VanDerWaalsContact C-N 3.25Å; D135-Y137 PolarHBondContact O-N 2.78Å; D135-Y137 WeakPolarHBondContact OD1-CA 3.14Å; D135-Y137 VanDerWaalsContact OD1-CB 3.29Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.42Å; D135-Y137 VanDerWaalsContact OD1-CD2 3.26Å; D135-Y137 WeakPolarHBondContact OD1-CD2 3.22Å; D135-Y137 PolarHBondContact OD1-N 2.91Å; D135-T138 HydrophobicContact CB-CG2 3.54Å; D135-T138 VanDerWaalsContact CG-CG2 3.44Å; D135-T138 WeakPolarHBondContact O-CG2 3.32Å; D135-T138 PolarHBondContact OD1-N 2.82Å; D135-T138 VanDerWaalsContact OD2-CG2 3.32Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.38Å; D135-T139 WeakPolarHBondContact O-CB 3.33Å; D135-T139 VanDerWaalsContact O-CG2 3.3Å; D135-T139 WeakPolarHBondContact O-CG2 3.43Å; D135-T139 PolarHBondContact O-N 2.86Å; D135-T139 VanDerWaalsContact O-N 3.11Å; D135-T139 PolarHBondContact O-OG1 3.07Å
136	G	96.3	Very high	96.2	Very high	13 Å²	13	16 Å²	16	13%	0.134	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.7	-179.2	0	0	0	0	0	114.9	D93 P95 T139	D93-G136 PolarHBondContact O-N 2.89Å; P95-G136 WeakPolarHBondContact CD-O 3.49Å; G136-T139 VanDerWaalsContact CA-OG1 3.32Å; G136-T139 WeakPolarHBondContact CA-OG1 3.42Å
137	Y	96.9	Very high	96.3	Very high	9 Å²	9	15.9 Å²	15.9	4%	0.035	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-54.5	175.4	-58.9	-89.8	0	0	0	109.8	E65 W83 P95 T99 F103 W120 D135 T139 S140 T143	E65-Y137 PolarHBondContact OE1-OH 3.06Å; E65-Y137 PolarHBondContact OE2-OH 2.85Å; W83-Y137 HydrophobicContact CE3-CD1 4.44Å; W83-Y137 HydrophobicContact CE3-CE1 4.21Å; W83-Y137 HydrophobicContact CH2-CD1 4.1Å; W83-Y137 AromaticContact CH2-CE1 3.75Å; W83-Y137 HydrophobicContact CH2-CE1 3.75Å; W83-Y137 AromaticContact CZ3-CD1 3.7Å; W83-Y137 HydrophobicContact CZ3-CD1 3.7Å; W83-Y137 AromaticContact CZ3-CE1 3.23Å; W83-Y137 HydrophobicContact CZ3-CE1 3.23Å; W83-Y137 HydrophobicContact CZ3-CE2 4.4Å; W83-Y137 HydrophobicContact CZ3-CG 4.47Å; W83-Y137 AromaticContact CZ3-CZ 3.65Å; P95-Y137 HydrophobicContact CB-CD1 4.11Å; P95-Y137 HydrophobicContact CB-CE1 3.66Å; P95-Y137 HydrophobicContact CG-CD1 4.32Å; P95-Y137 HydrophobicContact CG-CE1 4.3Å; T99-Y137 HydrophobicContact CG2-CE1 4.04Å; F103-Y137 HydrophobicContact CE2-CD1 4.19Å; F103-Y137 HydrophobicContact CZ-CD1 4.35Å; W120-Y137 VanDerWaalsContact CE2-CB 3.5Å; W120-Y137 HydrophobicContact CH2-CD1 4.01Å; W120-Y137 AromaticContact CZ2-CD1 3.6Å; W120-Y137 HydrophobicContact CZ2-CD1 3.6Å; W120-Y137 AromaticContact CZ2-CG 3.83Å; W120-Y137 HydrophobicContact CZ2-CG 3.83Å; D135-Y137 VanDerWaalsContact C-N 3.25Å; D135-Y137 PolarHBondContact O-N 2.78Å; D135-Y137 WeakPolarHBondContact OD1-CA 3.14Å; D135-Y137 VanDerWaalsContact OD1-CB 3.29Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.42Å; D135-Y137 VanDerWaalsContact OD1-CD2 3.26Å; D135-Y137 WeakPolarHBondContact OD1-CD2 3.22Å; D135-Y137 PolarHBondContact OD1-N 2.91Å; Y137-T139 VanDerWaalsContact C-N 3.3Å; Y137-T139 PolarHBondContact O-N 3.41Å; Y137-S140 WeakPolarHBondContact O-CB 3.39Å; Y137-S140 PolarHBondContact O-N 2.84Å; Y137-S140 VanDerWaalsContact O-N 3.14Å; Y137-T143 WeakPolarHBondContact O-CG2 3.37Å; Y137-T143 PolarHBondContact O-OG1 3.27Å
138	T	96.1	Very high	96.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-25	179.8	-169	0	0	0	0	113.6	C132 D135 S140 S145	C132-T138 HydrophobicContact CB-CG2 3.76Å; C132-T138 WeakPolarHBondContact O-CG2 3.34Å; D135-T138 HydrophobicContact CB-CG2 3.54Å; D135-T138 VanDerWaalsContact CG-CG2 3.44Å; D135-T138 WeakPolarHBondContact O-CG2 3.32Å; D135-T138 PolarHBondContact OD1-N 2.82Å; D135-T138 VanDerWaalsContact OD2-CG2 3.32Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.38Å; T138-S140 VanDerWaalsContact C-N 3.33Å; T138-S145 WeakPolarHBondContact OG1-CB 3.33Å; T138-S145 PolarHBondContact OG1-OG 3.13Å
139	T	96.3	Very high	96.7	Very high	4 Å²	4	9 Å²	9	3%	0.025	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.4	173.9	54.6	0	0	0	0	113.9	C132 D135 G136 Y137 I141 M361	C132-T139 WeakPolarHBondContact O-CG2 3.27Å; D135-T139 WeakPolarHBondContact O-CB 3.33Å; D135-T139 VanDerWaalsContact O-CG2 3.3Å; D135-T139 WeakPolarHBondContact O-CG2 3.43Å; D135-T139 PolarHBondContact O-N 2.86Å; D135-T139 VanDerWaalsContact O-N 3.11Å; D135-T139 PolarHBondContact O-OG1 3.07Å; G136-T139 VanDerWaalsContact CA-OG1 3.32Å; G136-T139 WeakPolarHBondContact CA-OG1 3.42Å; Y137-T139 VanDerWaalsContact C-N 3.3Å; Y137-T139 PolarHBondContact O-N 3.41Å; T139-I141 PolarHBondContact O-N 3.07Å; T139-M361 WeakPolarHBondContact O-CB 3.49Å; T139-M361 WeakPolarHBondContact O-CE 3.34Å; T139-M361 WeakPolarHBondContact O-CG 3.29Å
140	S	95.8	Very high	96.7	Very high	15 Å²	15	7.8 Å²	7.8	11%	0.105	4%	0.041	C	C	.	.			trans	-68.6	130.5	176.3	179.9	0	0	0	0	110.9	Y137 T138 Y142 T143	Y137-S140 WeakPolarHBondContact O-CB 3.39Å; Y137-S140 PolarHBondContact O-N 2.84Å; Y137-S140 VanDerWaalsContact O-N 3.14Å; T138-S140 VanDerWaalsContact C-N 3.33Å; S140-Y142 PolarHBondContact O-N 3.4Å; S140-Y142 VanDerWaalsContact O-N 3.09Å; S140-Y142 WeakPolarHBondContact OG-CD2 3.36Å; S140-Y142 PolarHBondContact OG-N 2.94Å; S140-T143 PolarHBondContact O-N 3.42Å; S140-T143 PolarHBondContact O-OG1 3.35Å
141	I	95.2	Very high	96.5	Very high	11 Å²	11	13.1 Å²	13.1	6%	0.056	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.6	173.9	68.7	171	0	0	0	112.5	T139 T143 Q218 H313 Q315 M361 F398	T139-I141 PolarHBondContact O-N 3.07Å; I141-T143 VanDerWaalsContact C-N 3.3Å; I141-Q218 PolarHBondContact O-NE2 3.02Å; I141-H313 HydrophobicContact CB-CB 4.39Å; I141-H313 HydrophobicContact CG2-CB 3.64Å; I141-Q315 HydrophobicContact CG2-CG 4.42Å; I141-M361 HydrophobicContact CG2-CG 4.16Å; I141-F398 HydrophobicContact CD1-CD1 3.78Å; I141-F398 HydrophobicContact CD1-CE1 3.55Å; I141-F398 HydrophobicContact CD1-CE2 4.37Å; I141-F398 HydrophobicContact CD1-CG 4.29Å; I141-F398 HydrophobicContact CD1-CZ 3.87Å; I141-F398 HydrophobicContact CG2-CE2 4.46Å
142	Y	94.1	Very high	96.2	Very high	67 Å²	67	18.9 Å²	18.9	26%	0.263	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12	179.4	-50	-47	0	0	0	113.1	F103 I107 S140	F103-Y142 HydrophobicContact CB-CD2 3.8Å; F103-Y142 HydrophobicContact CB-CG 4.35Å; I107-Y142 HydrophobicContact CD1-CD1 4.06Å; I107-Y142 HydrophobicContact CD1-CE1 4Å; I107-Y142 HydrophobicContact CG1-CD1 3.74Å; I107-Y142 HydrophobicContact CG1-CE1 4.1Å; I107-Y142 HydrophobicContact CG1-CG 4.3Å; I107-Y142 HydrophobicContact CG2-CD1 4.33Å; I107-Y142 HydrophobicContact CG2-CG 4.43Å; S140-Y142 PolarHBondContact O-N 3.4Å; S140-Y142 VanDerWaalsContact O-N 3.09Å; S140-Y142 WeakPolarHBondContact OG-CD2 3.36Å; S140-Y142 PolarHBondContact OG-N 2.94Å
143	T	95	Very high	96	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.031	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.7	178.2	67.1	0	0	0	0	111.5	F103 F118 W120 Y137 S140 I141	F103-T143 HydrophobicContact CE1-CG2 3.81Å; F103-T143 HydrophobicContact CZ-CG2 3.98Å; F118-T143 HydrophobicContact CB-CG2 4.16Å; F118-T143 CarbonylContact O-C 3.44Å; F118-T143 WeakPolarHBondContact O-CA 3.42Å; W120-T143 HydrophobicContact CB-CG2 4.39Å; W120-T143 HydrophobicContact CD2-CG2 4.22Å; W120-T143 HydrophobicContact CE3-CG2 3.75Å; W120-T143 HydrophobicContact CZ3-CG2 4.4Å; Y137-T143 WeakPolarHBondContact O-CG2 3.37Å; Y137-T143 PolarHBondContact O-OG1 3.27Å; S140-T143 PolarHBondContact O-N 3.42Å; S140-T143 PolarHBondContact O-OG1 3.35Å; I141-T143 VanDerWaalsContact C-N 3.3Å
144	L	95.1	Very high	95.7	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	95.8	166.3	-166	163.1	0	0	0	107.1	F118 W120 V146 L166 M217 V221	F118-L144 PolarHBondContact O-N 2.94Å; W120-L144 PolarHBondContact N-O 2.83Å; L144-V146 HydrophobicContact CD2-CG2 3.4Å; L144-L166 HydrophobicContact CD1-CD2 4.31Å; L144-L166 HydrophobicContact CD2-CD2 4.31Å; L144-L166 HydrophobicContact CG-CD2 3.87Å; L144-M217 HydrophobicContact CD1-CG 4.18Å; L144-V221 HydrophobicContact CD1-CG2 4.12Å
145	S	97	Very high	95.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.6	179.2	-178.4	0	0	0	0	111.7	W120 T138 L166 A167	W120-S145 CarbonylContact O-C 3.54Å; W120-S145 WeakPolarHBondContact O-CA 3.18Å; T138-S145 WeakPolarHBondContact OG1-CB 3.33Å; T138-S145 PolarHBondContact OG1-OG 3.13Å; S145-L166 PolarHBondContact O-N 2.92Å; S145-A167 PolarHBondContact O-N 3.29Å
146	V	97.9	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.5	-174	-177.8	0	0	0	0	109.5	I119 W120 S122 L144 A167 T169 T196 A203	I119-V146 HydrophobicContact CG2-CG2 3.82Å; W120-V146 PolarHBondContact O-N 2.93Å; S122-V146 PolarHBondContact N-O 3.06Å; L144-V146 HydrophobicContact CD2-CG2 3.4Å; V146-A167 WeakPolarHBondContact CA-O 3.22Å; V146-T169 HydrophobicContact CG1-CG2 4.07Å; V146-T196 WeakPolarHBondContact O-CG2 3.45Å; V146-A203 HydrophobicContact CB-CB 4.3Å; V146-A203 HydrophobicContact CG1-CB 3.97Å; V146-A203 HydrophobicContact CG2-CB 3.5Å
147	S	98.1	Very high	95.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-171.1	173.1	-156	0	0	0	0	112.2	S122 L159 A167 T168 T169 S199 K248	S122-S147 WeakPolarHBondContact OG-CB 3.48Å; S122-S147 PolarHBondContact OG-OG 3.11Å; S122-S147 VanDerWaalsContact OG-OG 3.11Å; S147-L159 WeakPolarHBondContact OG-CD1 3.14Å; S147-L159 WeakPolarHBondContact OG-CG 3.47Å; S147-A167 PolarHBondContact N-O 3.38Å; S147-T168 WeakPolarHBondContact O-CA 3.44Å; S147-T169 PolarHBondContact O-N 3.41Å; S147-T169 VanDerWaalsContact O-N 3.12Å; S147-S199 WeakPolarHBondContact O-CB 3.37Å; S147-S199 PolarHBondContact O-OG 2.94Å; S147-K248 WeakPolarHBondContact CB-O 3.25Å; S147-K248 PolarHBondContact OG-O 2.84Å
148	S	98	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.5	-169.2	-56.9	0	0	0	0	113.3	P156 L159 T168 T169 T196 S199 F249	S148-P156 WeakPolarHBondContact O-CD 3.36Å; S148-P156 WeakPolarHBondContact O-CG 3.09Å; S148-L159 WeakPolarHBondContact O-CD1 3.18Å; S148-T168 VanDerWaalsContact C-CG2 3.42Å; S148-T169 CarbonylContact C-O 3.59Å; S148-T169 WeakPolarHBondContact CA-O 3.49Å; S148-T196 VanDerWaalsContact OG-CA 3.24Å; S148-T196 WeakPolarHBondContact OG-CA 3.48Å; S148-T196 PolarHBondContact OG-OG1 2.85Å; S148-S199 WeakPolarHBondContact CB-OG 3.29Å; S148-S199 PolarHBondContact OG-OG 3.34Å; S148-F249 WeakPolarHBondContact O-CE1 3.36Å
149	S	96.9	Very high	95.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.4	161.2	-168.8	0	0	0	0	110.6	H153 G154 T168 T169 Y170 S171 L230	S149-H153 WeakPolarHBondContact OG-CA 3.24Å; S149-G154 PolarHBondContact OG-O 2.93Å; S149-T168 VanDerWaalsContact N-CG2 3.3Å; S149-T169 PolarHBondContact N-O 3.29Å; S149-Y170 CarbonylContact O-C 3.58Å; S149-Y170 WeakPolarHBondContact O-CA 3.18Å; S149-S171 PolarHBondContact O-N 2.67Å; S149-L230 WeakPolarHBondContact OG-CD2 3.49Å
150	T	95.4	Very high	95.2	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	13%	0.131	C	C	.	.			trans	-74.9	165.4	173.4	83.2	0	0	0	0	110.7	Q152 H153 G154 P156 Y170 E177	T150-Q152 PolarHBondContact O-N 3.31Å; T150-Q152 VanDerWaalsContact O-N 3.15Å; T150-Q152 PolarHBondContact OG1-N 2.87Å; T150-H153 PolarHBondContact O-N 3.37Å; T150-G154 PolarHBondContact N-O 3.45Å; T150-G154 WeakPolarHBondContact OG1-CA 3.08Å; T150-G154 PolarHBondContact OG1-N 2.92Å; T150-P156 HydrophobicContact CG2-CB 3.98Å; T150-P156 HydrophobicContact CG2-CG 4.28Å; T150-Y170 WeakPolarHBondContact O-CD1 3.2Å; T150-Y170 WeakPolarHBondContact O-CE1 3.39Å; T150-E177 WeakPolarHBondContact CB-OE2 3.46Å; T150-E177 PolarHBondContact OG1-OE2 3.18Å
151	F	92.4	Very high	95.3	Very high	129 Å²	129	28.4 Å²	28.4	57%	0.566	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.4	176.4	179.7	-99.6	0	0	0	112.7	H153 E177 P178	F151-H153 PolarHBondContact O-N 3.02Å; F151-E177 PolarHBondContact N-OE2 3.27Å; F151-P178 HydrophobicContact CB-CG 4.31Å; F151-P178 HydrophobicContact CD1-CG 4.12Å; F151-P178 HydrophobicContact CD2-CG 4.31Å; F151-P178 HydrophobicContact CG-CB 4.49Å; F151-P178 HydrophobicContact CG-CG 3.98Å
152	Q	91.7	Very high	95.4	Very high	121 Å²	121	28 Å²	28	57%	0.565	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	16.6	178.3	-61	-172.9	-4.5	0	0	114.6	T150 G154 E177 K232	T150-Q152 PolarHBondContact O-N 3.31Å; T150-Q152 VanDerWaalsContact O-N 3.15Å; T150-Q152 PolarHBondContact OG1-N 2.87Å; Q152-G154 VanDerWaalsContact C-N 3.29Å; Q152-G154 PolarHBondContact O-N 3.35Å; Q152-E177 HydrophobicContact CG-CG 4.35Å; Q152-E177 PolarHBondContact N-OE2 2.9Å; Q152-K232 PolarHBondContact O-NZ 3.3Å
153	H	93.9	Very high	95.6	Very high	57 Å²	57	24.8 Å²	24.8	26%	0.264	12%	0.115	S	C	.	.	S	Bend	trans	59.5	41.2	-174.7	-43.9	-79.9	0	0	0	112	S149 T150 F151 Y170 A229 L230 K232 I233	S149-H153 WeakPolarHBondContact OG-CA 3.24Å; T150-H153 PolarHBondContact O-N 3.37Å; F151-H153 PolarHBondContact O-N 3.02Å; H153-Y170 PolarHBondContact CE1-OH 3.31Å; H153-Y170 AromaticContact ND1-CE1 3.95Å; H153-Y170 PolarHBondContact ND1-OH 2.83Å; H153-A229 HydrophobicContact CB-CB 4.28Å; H153-A229 WeakPolarHBondContact CB-O 3.49Å; H153-A229 WeakPolarHBondContact ND1-CB 3.36Å; H153-L230 HydrophobicContact CB-CD2 3.89Å; H153-K232 VanDerWaalsContact O-CE 3.29Å; H153-K232 WeakPolarHBondContact O-CE 3.43Å; H153-I233 VanDerWaalsContact O-CD1 3.3Å; H153-I233 WeakPolarHBondContact O-CD1 3.42Å
154	G	92.6	Very high	95.8	Very high	19 Å²	19	24.7 Å²	24.7	20%	0.196	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-92.6	168.8	176.6	0	0	0	0	0	113	S149 T150 Q152 I233	S149-G154 PolarHBondContact OG-O 2.93Å; T150-G154 PolarHBondContact N-O 3.45Å; T150-G154 WeakPolarHBondContact OG1-CA 3.08Å; T150-G154 PolarHBondContact OG1-N 2.92Å; Q152-G154 VanDerWaalsContact C-N 3.29Å; Q152-G154 PolarHBondContact O-N 3.35Å; G154-I233 VanDerWaalsContact C-CD1 3.49Å
155	K	94.1	Very high	95.9	Very high	43 Å²	43	24.5 Å²	24.5	19%	0.187	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-86.7	117	162	174.3	-175.1	171.2	172	0	107.9	L159 E161 I233 K248 F249 S464	K155-L159 HydrophobicContact CD-CD2 4.37Å; K155-L159 HydrophobicContact CG-CB 4.22Å; K155-L159 HydrophobicContact CG-CD1 4.37Å; K155-L159 HydrophobicContact CG-CD2 4.33Å; K155-E161 IonicContact NZ-OE1 3.41Å; K155-E161 PolarHBondContact NZ-OE1 3.04Å; K155-I233 HydrophobicContact CB-CD1 4.34Å; K155-K248 HydrophobicContact CD-CD 4.09Å; K155-K248 HydrophobicContact CD-CG 4.4Å; K155-F249 HydrophobicContact CB-CZ 4.03Å; K155-S464 PolarHBondContact NZ-O 3.3Å; K155-S464 PolarHBondContact NZ-OG 2.97Å
156	P	94.2	Very high	96	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.013	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-66.2	151.6	173	15.5	-16.4	0	0	0	111.9	S148 T150 Y158 L159	S148-P156 WeakPolarHBondContact O-CD 3.36Å; S148-P156 WeakPolarHBondContact O-CG 3.09Å; T150-P156 HydrophobicContact CG2-CB 3.98Å; T150-P156 HydrophobicContact CG2-CG 4.28Å; P156-Y158 VanDerWaalsContact C-N 3.26Å; P156-Y158 HydrophobicContact CB-CD1 3.99Å; P156-Y158 HydrophobicContact CB-CD2 4.28Å; P156-Y158 HydrophobicContact CB-CE1 3.45Å; P156-Y158 VanDerWaalsContact CB-CE1 3.45Å; P156-Y158 HydrophobicContact CB-CE2 3.79Å; P156-Y158 HydrophobicContact CB-CG 4.36Å; P156-Y158 HydrophobicContact CG-CE1 4.35Å; P156-Y158 HydrophobicContact CG-CE2 3.84Å; P156-Y158 PolarHBondContact O-N 3.33Å; P156-L159 HydrophobicContact CG-CB 4.11Å; P156-L159 HydrophobicContact CG-CD1 4.31Å; P156-L159 WeakPolarHBondContact O-CB 3.21Å; P156-L159 PolarHBondContact O-N 2.92Å
157	W	93.1	Very high	95.9	Very high	107 Å²	107	24.7 Å²	24.7	41%	0.405	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.7	-175.3	61.7	-91	0	0	0	113.8	G126 S127	G126-W157 CarbonylContact C-O 3.56Å; S127-W157 PolarHBondContact N-O 2.83Å
158	Y	94.7	Very high	95.9	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.024	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.9	179	54.4	-100.6	0	0	0	113.1	N124 G125 G126 P156 E160 S171 S172 G195	N124-Y158 CarbonylContact C-O 3.48Å; N124-Y158 WeakPolarHBondContact CA-O 3.34Å; G125-Y158 PolarHBondContact N-O 3.45Å; G126-Y158 PolarHBondContact N-O 3.43Å; P156-Y158 VanDerWaalsContact C-N 3.26Å; P156-Y158 HydrophobicContact CB-CD1 3.99Å; P156-Y158 HydrophobicContact CB-CD2 4.28Å; P156-Y158 HydrophobicContact CB-CE1 3.45Å; P156-Y158 VanDerWaalsContact CB-CE1 3.45Å; P156-Y158 HydrophobicContact CB-CE2 3.79Å; P156-Y158 HydrophobicContact CB-CG 4.36Å; P156-Y158 HydrophobicContact CG-CE1 4.35Å; P156-Y158 HydrophobicContact CG-CE2 3.84Å; P156-Y158 PolarHBondContact O-N 3.33Å; Y158-E160 PolarHBondContact O-N 2.9Å; Y158-S171 WeakPolarHBondContact OH-CB 3.23Å; Y158-S171 PolarHBondContact OH-OG 2.84Å; Y158-S172 WeakPolarHBondContact CE1-O 3.35Å; Y158-S172 VanDerWaalsContact CE1-OG 3.3Å; Y158-S172 WeakPolarHBondContact CE1-OG 3.14Å; Y158-S172 PolarHBondContact OH-O 3.49Å; Y158-S172 PolarHBondContact OH-OG 3.25Å; Y158-G195 VanDerWaalsContact CE2-C 3.48Å; Y158-G195 VanDerWaalsContact CE2-CA 3.48Å
159	L	96.6	Very high	95.9	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-64.5	127.6	-175.8	-177.5	148.4	0	0	0	112.4	G126 S147 S148 K155 P156 E161 K248 F249	G126-L159 VanDerWaalsContact CA-O 3.25Å; G126-L159 WeakPolarHBondContact CA-O 3.34Å; S147-L159 WeakPolarHBondContact OG-CD1 3.14Å; S147-L159 WeakPolarHBondContact OG-CG 3.47Å; S148-L159 WeakPolarHBondContact O-CD1 3.18Å; K155-L159 HydrophobicContact CD-CD2 4.37Å; K155-L159 HydrophobicContact CG-CB 4.22Å; K155-L159 HydrophobicContact CG-CD1 4.37Å; K155-L159 HydrophobicContact CG-CD2 4.33Å; P156-L159 HydrophobicContact CG-CB 4.11Å; P156-L159 HydrophobicContact CG-CD1 4.31Å; P156-L159 WeakPolarHBondContact O-CB 3.21Å; P156-L159 PolarHBondContact O-N 2.92Å; L159-E161 HydrophobicContact CD2-CG 3.79Å; L159-K248 HydrophobicContact CD2-CB 4.03Å; L159-K248 HydrophobicContact CD2-CG 4.13Å; L159-F249 HydrophobicContact CD1-CD1 4.32Å; L159-F249 HydrophobicContact CD1-CE1 3.98Å
160	E	98.1	Very high	95.9	Very high	3 Å²	3	29 Å²	29	1%	0.014	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-89.4	141.1	167.4	-63	-178.4	-138.5	0	0	111.6	G123 N124 G125 D130 C132 Y158	G123-E160 WeakPolarHBondContact CA-OE1 3.26Å; N124-E160 PolarHBondContact N-OE1 2.99Å; G125-E160 WeakPolarHBondContact CA-OE1 3.3Å; G125-E160 PolarHBondContact N-OE1 2.82Å; D130-E160 HydrophobicContact CB-CG 4.14Å; C132-E160 WeakPolarHBondContact CA-OE2 3.42Å; C132-E160 HydrophobicContact CB-CB 3.98Å; C132-E160 PolarHBondContact N-OE2 2.84Å; C132-E160 VanDerWaalsContact N-OE2 3.14Å; Y158-E160 PolarHBondContact O-N 2.9Å
161	E	97.3	Very high	96	Very high	16 Å²	16	29 Å²	29	8%	0.075	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-102.9	129.9	179.7	-59.8	-170.2	-157.8	0	0	110.5	S131 C132 K155 L159 S247 K248 R465	S131-E161 PolarHBondContact OG-O 2.93Å; C132-E161 VanDerWaalsContact SG-C 3.56Å; K155-E161 IonicContact NZ-OE1 3.41Å; K155-E161 PolarHBondContact NZ-OE1 3.04Å; L159-E161 HydrophobicContact CD2-CG 3.79Å; E161-S247 CarbonylContact C-O 3.56Å; E161-S247 VanDerWaalsContact CA-O 3.3Å; E161-S247 WeakPolarHBondContact CA-O 3.46Å; E161-K248 VanDerWaalsContact CD-CE 3.43Å; E161-K248 HydrophobicContact CG-CG 3.62Å; E161-K248 WeakPolarHBondContact OE1-CE 3.33Å; E161-K248 WeakPolarHBondContact OE1-CG 3.37Å; E161-K248 WeakPolarHBondContact OE2-CE 3.09Å; E161-K248 WeakPolarHBondContact OE2-CG 3.42Å; E161-R465 WeakPolarHBondContact OE1-CG 3.06Å; E161-R465 IonicContact OE1-NE 2.69Å; E161-R465 PolarHBondContact OE1-NE 2.85Å; E161-R465 IonicContact OE2-CZ 2.77Å; E161-R465 VanDerWaalsContact OE2-CZ 3.28Å; E161-R465 IonicContact OE2-NE 3.78Å; E161-R465 PolarHBondContact OE2-NE 2.82Å; E161-R465 IonicContact OE2-NH2 3.86Å; E161-R465 PolarHBondContact OE2-NH2 2.77Å
162	C	98	Very high	96.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.014	11%	0.107	C	C	.	.			trans	-159.7	152.7	170.4	56.6	0	0	0	0	111	C132 S133 S164 T165 S247	C132-C162 HydrophobicContact CB-CB 3.98Å; C132-C162 WeakPolarHBondContact CB-SG 3.41Å; C132-C162 WeakPolarHBondContact SG-CB 3.32Å; C132-C162 PolarHBondContact SG-N 3.15Å; C132-C162 VanDerWaalsContact SG-N 3.41Å; C132-C162 CovalentContact SG-SG 2.02Å; C132-C162 PolarHBondContact SG-SG 2.89Å; S133-C162 VanDerWaalsContact N-CB 3.32Å; S133-C162 VanDerWaalsContact OG-CB 3.29Å; S133-C162 WeakPolarHBondContact OG-CB 3.47Å; C162-S164 PolarHBondContact O-N 2.51Å; C162-S164 PolarHBondContact SG-OG 3.31Å; C162-T165 PolarHBondContact O-N 3.02Å; C162-S247 PolarHBondContact N-O 3.25Å; C162-S247 WeakPolarHBondContact O-CA 3.37Å
163	P	98.3	Very high	95.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-2.8	-179.7	30.3	-31.4	0	0	0	113.6	E341 I342 S362 V363 Q364	P163-E341 WeakPolarHBondContact CD-O 3.49Å; P163-E341 WeakPolarHBondContact CG-O 3.43Å; P163-I342 HydrophobicContact CG-CB 4.41Å; P163-I342 HydrophobicContact CG-CG2 3.9Å; P163-S362 WeakPolarHBondContact O-CA 3.32Å; P163-V363 VanDerWaalsContact O-CG2 3.24Å; P163-V363 WeakPolarHBondContact O-CG2 3.35Å; P163-V363 PolarHBondContact O-N 3.07Å; P163-Q364 HydrophobicContact CB-CG 3.89Å
164	S	98.1	Very high	95.4	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.014	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-18.6	172.5	50.2	0	0	0	0	114.1	C162 L166 M361	C162-S164 PolarHBondContact O-N 2.51Å; C162-S164 PolarHBondContact SG-OG 3.31Å; S164-L166 PolarHBondContact O-N 3.17Å; S164-M361 PolarHBondContact N-O 3.22Å
165	T	98.3	Very high	94.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	12%	0.123	C	C	.	.			trans	-60.9	121.9	177.2	-65	0	0	0	0	110.8	C162 G250 V363	C162-T165 PolarHBondContact O-N 3.02Å; T165-G250 WeakPolarHBondContact O-CA 3.47Å; T165-V363 WeakPolarHBondContact O-CG2 3.36Å
166	L	97.5	Very high	93.9	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.15	C	C	.	.			trans	-86.7	-43.6	-176.9	-158.5	90.9	0	0	0	112	L144 S145 S164 Q218 V221 V222 G250 Y251 V363 W366	L144-L166 HydrophobicContact CD1-CD2 4.31Å; L144-L166 HydrophobicContact CD2-CD2 4.31Å; L144-L166 HydrophobicContact CG-CD2 3.87Å; S145-L166 PolarHBondContact O-N 2.92Å; S164-L166 PolarHBondContact O-N 3.17Å; L166-Q218 HydrophobicContact CD2-CB 4.07Å; L166-Q218 HydrophobicContact CD2-CG 4.24Å; L166-V221 HydrophobicContact CD2-CB 3.86Å; L166-V221 HydrophobicContact CD2-CG1 3.66Å; L166-V221 HydrophobicContact CG-CG1 4.43Å; L166-V222 HydrophobicContact CD1-CG2 3.8Å; L166-V222 HydrophobicContact CD2-CG2 4.32Å; L166-V222 HydrophobicContact CG-CG2 4.04Å; L166-G250 WeakPolarHBondContact O-CA 3.46Å; L166-Y251 WeakPolarHBondContact O-CD2 3.29Å; L166-Y251 PolarHBondContact O-N 3Å; L166-V363 HydrophobicContact CD1-CB 4.13Å; L166-V363 HydrophobicContact CD1-CG1 3.87Å; L166-V363 HydrophobicContact CD1-CG2 4.21Å; L166-W366 HydrophobicContact CD1-CE3 4.14Å; L166-W366 HydrophobicContact CD1-CH2 4.46Å; L166-W366 HydrophobicContact CD1-CZ3 3.67Å
167	A	97.4	Very high	93.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	-178.8	-174.9	0	0	0	0	0	112.2	S145 V146 S147 V221 F249 M254	S145-A167 PolarHBondContact O-N 3.29Å; V146-A167 WeakPolarHBondContact CA-O 3.22Å; S147-A167 PolarHBondContact N-O 3.38Å; A167-V221 HydrophobicContact CB-CG1 3.51Å; A167-F249 CarbonylContact C-O 3.6Å; A167-M254 HydrophobicContact CB-CG 3.63Å; A167-M254 HydrophobicContact CB-SD 4.22Å
168	T	97.9	Very high	93.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.4	-178.5	-66.7	0	0	0	0	111	S147 S148 S149 F249 G252 I253 M254	S147-T168 WeakPolarHBondContact O-CA 3.44Å; S148-T168 VanDerWaalsContact C-CG2 3.42Å; S149-T168 VanDerWaalsContact N-CG2 3.3Å; T168-F249 HydrophobicContact CG2-CD1 4.08Å; T168-F249 VanDerWaalsContact OG1-C 3.3Å; T168-F249 WeakPolarHBondContact OG1-CA 3.35Å; T168-F249 WeakPolarHBondContact OG1-CB 3.26Å; T168-F249 PolarHBondContact OG1-O 3.22Å; T168-G252 PolarHBondContact N-O 2.83Å; T168-I253 CarbonylContact O-C 3.38Å; T168-I253 VanDerWaalsContact O-CA 3.27Å; T168-I253 WeakPolarHBondContact O-CA 3.33Å; T168-M254 PolarHBondContact O-N 3.05Å
169	T	97.5	Very high	93.4	Very high	6 Å²	6	30 Å²	30	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	176.6	163.5	60.3	0	0	0	0	109.9	V146 S147 S148 S149 S199 I202 A203 M254	V146-T169 HydrophobicContact CG1-CG2 4.07Å; S147-T169 PolarHBondContact O-N 3.41Å; S147-T169 VanDerWaalsContact O-N 3.12Å; S148-T169 CarbonylContact C-O 3.59Å; S148-T169 WeakPolarHBondContact CA-O 3.49Å; S149-T169 PolarHBondContact N-O 3.29Å; T169-S199 VanDerWaalsContact OG1-C 3.29Å; T169-S199 WeakPolarHBondContact OG1-CA 3.24Å; T169-S199 WeakPolarHBondContact OG1-CB 3.43Å; T169-S199 PolarHBondContact OG1-O 3.11Å; T169-I202 HydrophobicContact CG2-CB 4.36Å; T169-I202 HydrophobicContact CG2-CG2 4.02Å; T169-A203 HydrophobicContact CG2-CB 4.01Å; T169-M254 HydrophobicContact CG2-CB 4.17Å; T169-M254 HydrophobicContact CG2-CG 4.16Å; T169-M254 HydrophobicContact CG2-SD 3.91Å
170	Y	96.7	Very high	93.4	Very high	84 Å²	84	30.9 Å²	30.9	33%	0.329	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	147	177.3	-70.1	-73.3	0	0	0	112	S149 T150 H153 I202 I253	S149-Y170 CarbonylContact O-C 3.58Å; S149-Y170 WeakPolarHBondContact O-CA 3.18Å; T150-Y170 WeakPolarHBondContact O-CD1 3.2Å; T150-Y170 WeakPolarHBondContact O-CE1 3.39Å; H153-Y170 PolarHBondContact CE1-OH 3.31Å; H153-Y170 AromaticContact ND1-CE1 3.95Å; H153-Y170 PolarHBondContact ND1-OH 2.83Å; Y170-I202 VanDerWaalsContact O-CD1 3.3Å; Y170-I202 WeakPolarHBondContact O-CD1 3.3Å; Y170-I253 HydrophobicContact CE1-CD1 4.24Å; Y170-I253 HydrophobicContact CE2-CD1 4.44Å; Y170-I253 HydrophobicContact CE2-CG2 4.13Å
171	S	97.4	Very high	93.4	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.021	20%	0.2	C	C	.	.			trans	-152.3	-168.1	166.1	-177.9	0	0	0	0	109.4	S149 Y158 G195 S199	S149-S171 PolarHBondContact O-N 2.67Å; Y158-S171 WeakPolarHBondContact OH-CB 3.23Å; Y158-S171 PolarHBondContact OH-OG 2.84Å; S171-G195 PolarHBondContact OG-N 2.78Å; S171-G195 PolarHBondContact OG-O 3.17Å; S171-S199 VanDerWaalsContact CB-OG 3.31Å; S171-S199 WeakPolarHBondContact CB-OG 3.48Å
172	S	94	Very high	93.4	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.042	20%	0.199	C	C	.	.			trans	-58.6	153.2	176	58.2	0	0	0	0	114.2	Y158 T194 G195	Y158-S172 WeakPolarHBondContact CE1-O 3.35Å; Y158-S172 VanDerWaalsContact CE1-OG 3.3Å; Y158-S172 WeakPolarHBondContact CE1-OG 3.14Å; Y158-S172 PolarHBondContact OH-O 3.49Å; Y158-S172 PolarHBondContact OH-OG 3.25Å; S172-T194 WeakPolarHBondContact OG-CA 3.27Å; S172-T194 WeakPolarHBondContact OG-CB 3.37Å; S172-G195 PolarHBondContact OG-N 2.95Å
173	G	89.1	Confident	93.4	Very high	10 Å²	10	35.1 Å²	35.1	10%	0.103	21%	0.207	C	C	.	.			trans	-118.3	-144.6	175.6	0	0	0	0	0	113.7
174	I	83.3	Confident	93.2	Very high	110 Å²	110	36 Å²	36	56%	0.564	21%	0.212	S	C	*	.	S	Bend	trans	-73.2	170.3	168.3	57.7	169.9	0	0	0	110.8	G176 E177	I174-G176 PolarHBondContact O-N 2.93Å; I174-E177 HydrophobicContact CG1-CG 4.25Å; I174-E177 PolarHBondContact O-N 2.84Å; I174-E177 VanDerWaalsContact O-N 3.13Å
175	Y	73.4	Confident	92.8	Very high	177 Å²	177	37.3 Å²	37.3	69%	0.694	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	133	177.3	-171.6	-93.3	0	0	0	111.5	P509	Y175-P509 HydrophobicContact CD1-CG 3.8Å; Y175-P509 HydrophobicContact CE1-CG 3.65Å
176	G	80	Confident	92.4	Very high	73 Å²	73	40.1 Å²	40.1	75%	0.753	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	-16.7	-178.3	0	0	0	0	0	115	I174	I174-G176 PolarHBondContact O-N 2.93Å
177	E	87.3	Confident	91.9	Very high	32 Å²	32	46.5 Å²	46.5	15%	0.15	27%	0.27	C	S	.	.	S	Bend	trans	-77.3	145.9	167.1	-73.6	-168.9	-127.7	0	0	110.8	T150 F151 Q152 I174	T150-E177 WeakPolarHBondContact CB-OE2 3.46Å; T150-E177 PolarHBondContact OG1-OE2 3.18Å; F151-E177 PolarHBondContact N-OE2 3.27Å; Q152-E177 HydrophobicContact CG-CG 4.35Å; Q152-E177 PolarHBondContact N-OE2 2.9Å; I174-E177 HydrophobicContact CG1-CG 4.25Å; I174-E177 PolarHBondContact O-N 2.84Å; I174-E177 VanDerWaalsContact O-N 3.13Å
178	P	91.3	Very high	91.8	Very high	70 Å²	70	48.4 Å²	48.4	46%	0.455	28%	0.284	S	S	.	.			trans	-54.1	141.9	171.7	-24.7	33.9	0	0	0	111.9	F151	F151-P178 HydrophobicContact CB-CG 4.31Å; F151-P178 HydrophobicContact CD1-CG 4.12Å; F151-P178 HydrophobicContact CD2-CG 4.31Å; F151-P178 HydrophobicContact CG-CB 4.49Å; F151-P178 HydrophobicContact CG-CG 3.98Å
179	A	94.7	Very high	91.8	Very high	27 Å²	27	51.6 Å²	51.6	22%	0.223	31%	0.305	C	S	.	.			trans	-106.4	-175.1	166.8	0	0	0	0	0	109.4	I191 H193 T194	A179-I191 WeakPolarHBondContact CB-O 3.46Å; A179-H193 WeakPolarHBondContact CB-O 3.41Å; A179-T194 HydrophobicContact CB-CG2 4.22Å
180	I	96.7	Very high	91.7	Very high	22 Å²	22	51.9 Å²	51.9	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.5	-177	-63.1	-48	0	0	0	110.8	E30 T182 I191 H193 A198 I202	E30-I180 HydrophobicContact CG-CG2 3.74Å; E30-I180 WeakPolarHBondContact OE2-CG2 3.41Å; I180-T182 HydrophobicContact CG2-CG2 4.46Å; I180-I191 CarbonylContact O-C 3.56Å; I180-H193 HydrophobicContact CB-CB 4.1Å; I180-H193 HydrophobicContact CG2-CB 4.37Å; I180-H193 PolarHBondContact N-O 3Å; I180-H193 PolarHBondContact O-N 2.7Å; I180-A198 HydrophobicContact CB-CB 4.24Å; I180-A198 HydrophobicContact CG1-CB 3.72Å; I180-I202 HydrophobicContact CD1-CD1 3.76Å; I180-I202 HydrophobicContact CG1-CD1 4.27Å
181	A	97	Very high	91.6	Very high	71 Å²	71	53.1 Å²	53.1	59%	0.587	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.9	171.3	0	0	0	0	0	110.8	T190 I191	A181-T190 CarbonylContact C-O 3.58Å; A181-T190 VanDerWaalsContact CA-O 3.24Å; A181-T190 WeakPolarHBondContact CA-O 3.33Å; A181-I191 HydrophobicContact CB-CG2 4.09Å
182	T	97.8	Very high	91.4	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.049	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	178.4	-177.4	-171.9	0	0	0	0	112.1	R26 G29 E30 I180 C189 T190 H193	R26-T182 HydrophobicContact CB-CG2 3.69Å; R26-T182 HydrophobicContact CG-CG2 4.08Å; R26-T182 WeakPolarHBondContact O-CG2 3.38Å; R26-T182 PolarHBondContact O-OG1 3.11Å; G29-T182 VanDerWaalsContact C-OG1 3.31Å; G29-T182 WeakPolarHBondContact CA-OG1 3.4Å; E30-T182 HydrophobicContact CG-CG2 4.29Å; E30-T182 PolarHBondContact N-OG1 3.11Å; E30-T182 VanDerWaalsContact N-OG1 3.15Å; I180-T182 HydrophobicContact CG2-CG2 4.46Å; T182-C189 WeakPolarHBondContact O-CA 3.46Å; T182-T190 HydrophobicContact CG2-CG2 3.77Å; T182-T190 PolarHBondContact N-O 3.39Å; T182-T190 PolarHBondContact O-N 2.7Å; T182-H193 HydrophobicContact CG2-CB 3.97Å
183	T	97.1	Very high	91.5	Very high	30 Å²	30	59.1 Å²	59.1	18%	0.184	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	152	172	49.3	0	0	0	0	111.8	T25 R26 G29 A33	T25-T183 PolarHBondContact O-OG1 3.34Å; R26-T183 VanDerWaalsContact CA-O 3.26Å; R26-T183 WeakPolarHBondContact CA-O 3.37Å; R26-T183 VanDerWaalsContact CG-O 3.29Å; R26-T183 WeakPolarHBondContact CG-O 3.24Å; G29-T183 WeakPolarHBondContact CA-OG1 3.49Å; G29-T183 PolarHBondContact N-OG1 2.77Å; A33-T183 HydrophobicContact CB-CG2 4.27Å
184	D	95.4	Very high	91.7	Very high	19 Å²	19	62.4 Å²	62.4	10%	0.102	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	161.6	-179.1	-158.8	12.4	0	0	0	112	R26 N187 S188 T190	R26-D184 IonicContact CZ-OD1 3.67Å; R26-D184 IonicContact CZ-OD2 2.81Å; R26-D184 VanDerWaalsContact NE-CG 3.31Å; R26-D184 IonicContact NE-OD1 3.74Å; R26-D184 PolarHBondContact NE-OD1 3.35Å; R26-D184 IonicContact NE-OD2 2.58Å; R26-D184 PolarHBondContact NE-OD2 2.71Å; R26-D184 IonicContact NH2-OD1 2.75Å; R26-D184 PolarHBondContact NH2-OD1 2.68Å; R26-D184 IonicContact NH2-OD2 2.74Å; R26-D184 PolarHBondContact NH2-OD2 3.31Å; D184-N187 PolarHBondContact O-N 2.92Å; D184-S188 WeakPolarHBondContact CB-OG 3.27Å; D184-S188 PolarHBondContact N-O 2.85Å; D184-S188 PolarHBondContact O-N 2.91Å; D184-S188 PolarHBondContact O-OG 2.93Å; D184-T190 HydrophobicContact CB-CG2 4.08Å; D184-T190 WeakPolarHBondContact OD2-CB 3.37Å
185	M	89.2	Confident	92.2	Very high	31 Å²	31	57.4 Å²	57.4	15%	0.153	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	145.6	-178.2	-79.5	-67.5	-75.3	0	0	112.7	Y14 P15 K22 T25	Y14-M185 HydrophobicContact CE1-CE 4.27Å; P15-M185 HydrophobicContact CB-CE 4.11Å; P15-M185 HydrophobicContact CG-CE 3.95Å; P15-M185 HydrophobicContact CG-CG 4.44Å; K22-M185 HydrophobicContact CB-CB 4.17Å; T25-M185 HydrophobicContact CG2-CG 3.78Å; T25-M185 HydrophobicContact CG2-SD 4.21Å; T25-M185 VanDerWaalsContact OG1-CG 3.24Å; T25-M185 WeakPolarHBondContact OG1-CG 3.43Å
186	P	89.1	Confident	93.3	Very high	59 Å²	59	49 Å²	49	38%	0.383	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	cis	-80.3	137.4	-17.6	31.7	-32	0	0	0	111.2	S188	P186-S188 VanDerWaalsContact C-N 3.32Å; P186-S188 PolarHBondContact O-N 3.22Å; P186-S188 VanDerWaalsContact O-N 3.13Å
187	N	87.9	Confident	93.9	Very high	138 Å²	138	46 Å²	46	74%	0.738	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.1	51.6	172.4	-68.4	-18.6	0	0	0	114.7	W39 D184	W39-N187 WeakPolarHBondContact CZ2-O 3.47Å; D184-N187 PolarHBondContact O-N 2.92Å
188	S	95.1	Very high	94.3	Very high	41 Å²	41	44.5 Å²	44.5	29%	0.287	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	-175.4	-176.9	62.8	0	0	0	0	112	C40 D184 P186	C40-S188 PolarHBondContact SG-O 2.99Å; D184-S188 WeakPolarHBondContact CB-OG 3.27Å; D184-S188 PolarHBondContact N-O 2.85Å; D184-S188 PolarHBondContact O-N 2.91Å; D184-S188 PolarHBondContact O-OG 2.93Å; P186-S188 VanDerWaalsContact C-N 3.32Å; P186-S188 PolarHBondContact O-N 3.22Å; P186-S188 VanDerWaalsContact O-N 3.13Å
189	C	97.2	Very high	94.6	Very high	66 Å²	66	41.1 Å²	41.1	45%	0.446	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.6	177.5	-44.8	0	0	0	0	108.8	C40 T182	C40-C189 WeakPolarHBondContact CA-SG 3.31Å; C40-C189 HydrophobicContact CB-CB 3.75Å; C40-C189 WeakPolarHBondContact CB-SG 3.3Å; C40-C189 VanDerWaalsContact SG-CA 3.51Å; C40-C189 WeakPolarHBondContact SG-CB 3.36Å; C40-C189 CovalentContact SG-SG 2.02Å; C40-C189 PolarHBondContact SG-SG 2.96Å; T182-C189 WeakPolarHBondContact O-CA 3.46Å
190	T	95.9	Very high	94.7	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.08	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.9	173.2	-166.2	0	0	0	0	110.7	R26 A181 T182 D184 H192 H193	R26-T190 HydrophobicContact CG-CG2 4.1Å; A181-T190 CarbonylContact C-O 3.58Å; A181-T190 VanDerWaalsContact CA-O 3.24Å; A181-T190 WeakPolarHBondContact CA-O 3.33Å; T182-T190 HydrophobicContact CG2-CG2 3.77Å; T182-T190 PolarHBondContact N-O 3.39Å; T182-T190 PolarHBondContact O-N 2.7Å; D184-T190 HydrophobicContact CB-CG2 4.08Å; D184-T190 WeakPolarHBondContact OD2-CB 3.37Å; T190-H192 PolarHBondContact OG1-N 2.7Å; T190-H192 VanDerWaalsContact OG1-N 3.17Å; T190-H193 HydrophobicContact CG2-CB 4.21Å
191	I	95.2	Very high	94.6	Very high	110 Å²	110	38.9 Å²	38.9	56%	0.564	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114	18.4	167	60.5	168.6	0	0	0	110.9	A179 I180 A181	A179-I191 WeakPolarHBondContact CB-O 3.46Å; I180-I191 CarbonylContact O-C 3.56Å; A181-I191 HydrophobicContact CB-CG2 4.09Å
192	H	93.6	Very high	94.3	Very high	129 Å²	129	37.2 Å²	37.2	60%	0.597	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	30	-171.6	-57	-57.2	0	0	0	111.6	R26 T190	R26-H192 PolarHBondContact NH1-O 2.97Å; T190-H192 PolarHBondContact OG1-N 2.7Å; T190-H192 VanDerWaalsContact OG1-N 3.17Å
193	H	94.9	Very high	94	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.7	168.6	-169.9	33.9	0	0	0	110.1	E30 A179 I180 T182 T190 A198	E30-H193 IonicContact OE1-CD2 3.71Å; E30-H193 PolarHBondContact OE1-CD2 2.88Å; E30-H193 IonicContact OE1-NE2 2.65Å; E30-H193 PolarHBondContact OE1-NE2 3.23Å; A179-H193 WeakPolarHBondContact CB-O 3.41Å; I180-H193 HydrophobicContact CB-CB 4.1Å; I180-H193 HydrophobicContact CG2-CB 4.37Å; I180-H193 PolarHBondContact N-O 3Å; I180-H193 PolarHBondContact O-N 2.7Å; T182-H193 HydrophobicContact CG2-CB 3.97Å; T190-H193 HydrophobicContact CG2-CB 4.21Å; H193-A198 VanDerWaalsContact CD2-CB 3.5Å; H193-A198 WeakPolarHBondContact CD2-CB 3.26Å
194	T	94.4	Very high	93	Very high	78 Å²	78	35.5 Å²	35.5	48%	0.479	20%	0.2	S	C	.	.			trans	-138.4	167.8	-163.4	61.5	0	0	0	0	111.9	S172 A179	S172-T194 WeakPolarHBondContact OG-CA 3.27Å; S172-T194 WeakPolarHBondContact OG-CB 3.37Å; A179-T194 HydrophobicContact CB-CG2 4.22Å
195	G	94.1	Very high	91.7	Very high	6 Å²	6	35 Å²	35	6%	0.062	20%	0.198	C	C	.	.	S	Bend	trans	85.3	171.9	175	0	0	0	0	0	113.3	N124 Y158 S171 S172 S197 A198	N124-G195 WeakPolarHBondContact OD1-CA 3.43Å; Y158-G195 VanDerWaalsContact CE2-C 3.48Å; Y158-G195 VanDerWaalsContact CE2-CA 3.48Å; S171-G195 PolarHBondContact OG-N 2.78Å; S171-G195 PolarHBondContact OG-O 3.17Å; S172-G195 PolarHBondContact OG-N 2.95Å; G195-S197 PolarHBondContact O-N 2.78Å; G195-A198 PolarHBondContact O-N 2.84Å
196	T	94.9	Very high	90.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-20.4	176.1	-44.3	0	0	0	0	112	A121 G123 N124 V146 S148 A198 S199 A200	A121-T196 HydrophobicContact CB-CG2 3.93Å; A121-T196 WeakPolarHBondContact CB-O 3.48Å; G123-T196 VanDerWaalsContact O-CB 3.3Å; G123-T196 WeakPolarHBondContact O-CB 3.4Å; G123-T196 PolarHBondContact O-OG1 3.26Å; N124-T196 PolarHBondContact OD1-N 2.84Å; N124-T196 PolarHBondContact OD1-OG1 2.88Å; V146-T196 WeakPolarHBondContact O-CG2 3.45Å; S148-T196 VanDerWaalsContact OG-CA 3.24Å; S148-T196 WeakPolarHBondContact OG-CA 3.48Å; S148-T196 PolarHBondContact OG-OG1 2.85Å; T196-A198 PolarHBondContact O-N 2.97Å; T196-S199 WeakPolarHBondContact O-CB 3.26Å; T196-S199 PolarHBondContact O-N 3.19Å; T196-A200 PolarHBondContact O-N 3.48Å
197	S	93.4	Very high	89.1	Confident	10 Å²	10	32.3 Å²	32.3	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-25	170.5	-52.1	0	0	0	0	114.8	H23 S82 G195 P201	H23-S197 WeakPolarHBondContact NE2-CB 3.45Å; H23-S197 PolarHBondContact NE2-OG 3.26Å; S82-S197 WeakPolarHBondContact CB-OG 3.11Å; S82-S197 WeakPolarHBondContact OG-CB 3.46Å; S82-S197 PolarHBondContact OG-OG 2.79Å; G195-S197 PolarHBondContact O-N 2.78Å; S197-P201 WeakPolarHBondContact O-CD 3.41Å; S197-P201 VanDerWaalsContact O-CG 3.31Å; S197-P201 WeakPolarHBondContact O-CG 3.32Å
198	A	96.3	Very high	87.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-85.3	-21.1	172.6	0	0	0	0	0	111.7	I180 H193 G195 T196 I202	I180-A198 HydrophobicContact CB-CB 4.24Å; I180-A198 HydrophobicContact CG1-CB 3.72Å; H193-A198 VanDerWaalsContact CD2-CB 3.5Å; H193-A198 WeakPolarHBondContact CD2-CB 3.26Å; G195-A198 PolarHBondContact O-N 2.84Å; T196-A198 PolarHBondContact O-N 2.97Å; A198-I202 WeakPolarHBondContact O-CD1 3.39Å; A198-I202 WeakPolarHBondContact O-CG1 3.4Å
199	S	97.1	Very high	86.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-71.5	-44.9	176.4	-67.2	0	0	0	0	112.5	S147 S148 T169 S171 T196 I202 A203	S147-S199 WeakPolarHBondContact O-CB 3.37Å; S147-S199 PolarHBondContact O-OG 2.94Å; S148-S199 WeakPolarHBondContact CB-OG 3.29Å; S148-S199 PolarHBondContact OG-OG 3.34Å; T169-S199 VanDerWaalsContact OG1-C 3.29Å; T169-S199 WeakPolarHBondContact OG1-CA 3.24Å; T169-S199 WeakPolarHBondContact OG1-CB 3.43Å; T169-S199 PolarHBondContact OG1-O 3.11Å; S171-S199 VanDerWaalsContact CB-OG 3.31Å; S171-S199 WeakPolarHBondContact CB-OG 3.48Å; T196-S199 WeakPolarHBondContact O-CB 3.26Å; T196-S199 PolarHBondContact O-N 3.19Å; S199-I202 PolarHBondContact O-N 2.87Å; S199-I202 VanDerWaalsContact O-N 3.12Å; S199-A203 PolarHBondContact O-N 3.11Å; S199-A203 VanDerWaalsContact O-N 3.11Å
200	A	95.5	Very high	84.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-45.7	-178.6	0	0	0	0	0	113.9	I119 A121 T196 I202 A203 A204	I119-A200 HydrophobicContact CG2-CB 4.01Å; I119-A200 WeakPolarHBondContact CG2-O 3.43Å; A121-A200 HydrophobicContact CB-CB 4Å; T196-A200 PolarHBondContact O-N 3.48Å; A200-I202 VanDerWaalsContact C-N 3.33Å; A200-I202 PolarHBondContact O-N 3.11Å; A200-A203 WeakPolarHBondContact O-CB 3.36Å; A200-A203 PolarHBondContact O-N 2.9Å; A200-A203 VanDerWaalsContact O-N 3.14Å; A200-A204 PolarHBondContact O-N 3.1Å
201	P	94.6	Very high	82.8	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-38.8	173.6	-27.8	36.1	0	0	0	113.8	C27 E30 V31 S197 A203 A204	C27-P201 HydrophobicContact CB-CB 4.26Å; C27-P201 HydrophobicContact CB-CG 3.53Å; E30-P201 HydrophobicContact CB-CB 3.79Å; E30-P201 HydrophobicContact CG-CB 4.47Å; V31-P201 HydrophobicContact CG2-CB 3.96Å; S197-P201 WeakPolarHBondContact O-CD 3.41Å; S197-P201 VanDerWaalsContact O-CG 3.31Å; S197-P201 WeakPolarHBondContact O-CG 3.32Å; P201-A203 VanDerWaalsContact C-N 3.29Å; P201-A203 PolarHBondContact O-N 3.38Å; P201-A204 WeakPolarHBondContact O-CB 3.46Å; P201-A204 PolarHBondContact O-N 2.92Å
202	I	92.5	Very high	81.1	Confident	37 Å²	37	29.1 Å²	29.1	19%	0.19	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-34.5	177.7	-64.6	168.5	0	0	0	111	E30 V44 T169 Y170 I180 A198 S199 A200 A204 V205	E30-I202 HydrophobicContact CB-CG1 4.47Å; V44-I202 HydrophobicContact CG2-CG2 4.28Å; T169-I202 HydrophobicContact CG2-CB 4.36Å; T169-I202 HydrophobicContact CG2-CG2 4.02Å; Y170-I202 VanDerWaalsContact O-CD1 3.3Å; Y170-I202 WeakPolarHBondContact O-CD1 3.3Å; I180-I202 HydrophobicContact CD1-CD1 3.76Å; I180-I202 HydrophobicContact CG1-CD1 4.27Å; A198-I202 WeakPolarHBondContact O-CD1 3.39Å; A198-I202 WeakPolarHBondContact O-CG1 3.4Å; S199-I202 PolarHBondContact O-N 2.87Å; S199-I202 VanDerWaalsContact O-N 3.12Å; A200-I202 VanDerWaalsContact C-N 3.33Å; A200-I202 PolarHBondContact O-N 3.11Å; I202-A204 PolarHBondContact O-N 3.47Å; I202-A204 VanDerWaalsContact O-N 3.11Å; I202-V205 PolarHBondContact O-N 3.1Å
203	A	91.7	Very high	79.7	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66	-8.2	173.4	0	0	0	0	0	113.6	I119 V146 T169 S199 A200 P201 V205 S206 M254	I119-A203 HydrophobicContact CD1-CB 4.47Å; I119-A203 WeakPolarHBondContact CD1-O 3.45Å; I119-A203 HydrophobicContact CG2-CB 3.96Å; V146-A203 HydrophobicContact CB-CB 4.3Å; V146-A203 HydrophobicContact CG1-CB 3.97Å; V146-A203 HydrophobicContact CG2-CB 3.5Å; T169-A203 HydrophobicContact CG2-CB 4.01Å; S199-A203 PolarHBondContact O-N 3.11Å; S199-A203 VanDerWaalsContact O-N 3.11Å; A200-A203 WeakPolarHBondContact O-CB 3.36Å; A200-A203 PolarHBondContact O-N 2.9Å; A200-A203 VanDerWaalsContact O-N 3.14Å; P201-A203 VanDerWaalsContact C-N 3.29Å; P201-A203 PolarHBondContact O-N 3.38Å; A203-V205 PolarHBondContact O-N 3.5Å; A203-S206 WeakPolarHBondContact O-CB 3.2Å; A203-S206 PolarHBondContact O-N 2.93Å; A203-S206 PolarHBondContact O-OG 2.95Å; A203-M254 HydrophobicContact CB-CE 4.24Å; A203-M254 HydrophobicContact CB-SD 3.48Å; A203-M254 WeakPolarHBondContact CB-SD 3.04Å
204	A	74.7	Confident	78	Confident	2 Å²	2	25.8 Å²	25.8	2%	0.017	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-62.1	-3	164.2	0	0	0	0	0	112.8	V31 I119 A200 P201 I202 S206 Q207	V31-A204 HydrophobicContact CB-CB 4.47Å; V31-A204 HydrophobicContact CG1-CB 3.94Å; V31-A204 HydrophobicContact CG2-CB 3.85Å; I119-A204 HydrophobicContact CD1-CB 4.29Å; A200-A204 PolarHBondContact O-N 3.1Å; P201-A204 WeakPolarHBondContact O-CB 3.46Å; P201-A204 PolarHBondContact O-N 2.92Å; I202-A204 PolarHBondContact O-N 3.47Å; I202-A204 VanDerWaalsContact O-N 3.11Å; A204-S206 PolarHBondContact O-N 3.24Å; A204-Q207 HydrophobicContact CB-CG 4.42Å; A204-Q207 WeakPolarHBondContact O-CB 3.24Å; A204-Q207 WeakPolarHBondContact O-CG 3.45Å; A204-Q207 PolarHBondContact O-N 3.38Å
205	V	68.5	Low	76.7	Confident	9 Å²	9	24.1 Å²	24.1	6%	0.055	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-49.1	-25.9	158.1	77.2	0	0	0	0	112.8	V44 I202 A203 Q207 L208 M254 A256 I259	V44-V205 HydrophobicContact CG1-CB 3.72Å; V44-V205 HydrophobicContact CG1-CG2 3.87Å; I202-V205 PolarHBondContact O-N 3.1Å; A203-V205 PolarHBondContact O-N 3.5Å; V205-Q207 PolarHBondContact O-N 3.34Å; V205-Q207 VanDerWaalsContact O-N 3.13Å; V205-L208 HydrophobicContact CG2-CD1 3.66Å; V205-L208 HydrophobicContact CG2-CG 4.49Å; V205-L208 VanDerWaalsContact O-CB 3.29Å; V205-L208 WeakPolarHBondContact O-CB 3.37Å; V205-L208 WeakPolarHBondContact O-CG 3.39Å; V205-L208 PolarHBondContact O-N 2.8Å; V205-M254 HydrophobicContact CG1-CE 3.7Å; V205-A256 HydrophobicContact CG2-CB 3.41Å; V205-A256 VanDerWaalsContact CG2-CB 3.41Å; V205-I259 HydrophobicContact CG1-CD1 4.11Å
206	S	64.5	Low	76.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-57.3	-19.9	169.8	56.2	0	0	0	0	113.6	I119 A203 A204 L208 C209 M217	I119-S206 WeakPolarHBondContact CD1-OG 3.45Å; A203-S206 WeakPolarHBondContact O-CB 3.2Å; A203-S206 PolarHBondContact O-N 2.93Å; A203-S206 PolarHBondContact O-OG 2.95Å; A204-S206 PolarHBondContact O-N 3.24Å; S206-L208 PolarHBondContact O-N 3.38Å; S206-C209 WeakPolarHBondContact O-CB 3.36Å; S206-C209 PolarHBondContact O-N 3.06Å; S206-M217 WeakPolarHBondContact O-CE 3.33Å
207	Q	59.4	Low	75.7	Confident	33 Å²	33	24 Å²	24	15%	0.154	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-56.1	-22	169.4	-69.8	-178.6	20.7	0	0	112.8	I78 A204 V205 C209 L210	I78-Q207 HydrophobicContact CD1-CB 4.18Å; I78-Q207 HydrophobicContact CD1-CG 3.38Å; I78-Q207 HydrophobicContact CG1-CG 3.91Å; A204-Q207 HydrophobicContact CB-CG 4.42Å; A204-Q207 WeakPolarHBondContact O-CB 3.24Å; A204-Q207 WeakPolarHBondContact O-CG 3.45Å; A204-Q207 PolarHBondContact O-N 3.38Å; V205-Q207 PolarHBondContact O-N 3.34Å; V205-Q207 VanDerWaalsContact O-N 3.13Å; Q207-C209 PolarHBondContact O-N 2.81Å; Q207-C209 VanDerWaalsContact O-N 3.13Å; Q207-L210 HydrophobicContact CB-CD1 3.98Å; Q207-L210 HydrophobicContact CB-CG 4.3Å; Q207-L210 HydrophobicContact CG-CD1 4.32Å; Q207-L210 WeakPolarHBondContact O-CD1 3.47Å; Q207-L210 WeakPolarHBondContact O-CG 3.04Å; Q207-L210 PolarHBondContact O-N 2.98Å
208	L	60.1	Low	75.6	Confident	78 Å²	78	23.8 Å²	23.8	41%	0.408	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-71	-7.3	177	-55.3	175.2	0	0	0	112.6	V205 S206 I260	V205-L208 HydrophobicContact CG2-CD1 3.66Å; V205-L208 HydrophobicContact CG2-CG 4.49Å; V205-L208 VanDerWaalsContact O-CB 3.29Å; V205-L208 WeakPolarHBondContact O-CB 3.37Å; V205-L208 WeakPolarHBondContact O-CG 3.39Å; V205-L208 PolarHBondContact O-N 2.8Å; S206-L208 PolarHBondContact O-N 3.38Å; L208-I260 HydrophobicContact CB-CD1 4.32Å; L208-I260 HydrophobicContact CB-CG1 3.77Å; L208-I260 HydrophobicContact CD1-CD1 3.65Å; L208-I260 HydrophobicContact CD1-CG1 3.95Å; L208-I260 HydrophobicContact CG-CD1 4.49Å; L208-I260 HydrophobicContact CG-CG1 4.44Å
209	C	61.9	Low	75.5	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.014	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-112.7	18.1	178.4	-69.3	0	0	0	0	113.2	S206 Q207 L211 L212 M217 I259 A263	S206-C209 WeakPolarHBondContact O-CB 3.36Å; S206-C209 PolarHBondContact O-N 3.06Å; Q207-C209 PolarHBondContact O-N 2.81Å; Q207-C209 VanDerWaalsContact O-N 3.13Å; C209-L211 PolarHBondContact O-N 2.96Å; C209-L212 HydrophobicContact CB-CD1 4.32Å; C209-L212 WeakPolarHBondContact O-CB 3.39Å; C209-L212 PolarHBondContact O-N 3Å; C209-M217 HydrophobicContact CB-CE 3.28Å; C209-M217 HydrophobicContact CB-SD 3.47Å; C209-M217 WeakPolarHBondContact CB-SD 3.29Å; C209-I259 WeakPolarHBondContact SG-CG2 3.3Å; C209-A263 HydrophobicContact CB-CB 4.33Å; C209-A263 WeakPolarHBondContact SG-CB 3.37Å
210	L	62.4	Low	75.2	Confident	44 Å²	44	23.8 Å²	23.8	23%	0.23	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-3.1	-176.3	-74.7	173.2	0	0	0	116.3	D77 I78 R111 I117 Q207	D77-L210 HydrophobicContact CB-CD1 4.21Å; D77-L210 HydrophobicContact CB-CD2 3.43Å; D77-L210 VanDerWaalsContact CB-CD2 3.43Å; D77-L210 HydrophobicContact CB-CG 4.42Å; I78-L210 HydrophobicContact CD1-CD2 4.05Å; I78-L210 HydrophobicContact CG1-CD2 3.89Å; R111-L210 VanDerWaalsContact NH2-C 3.27Å; R111-L210 PolarHBondContact NH2-O 3.13Å; I117-L210 HydrophobicContact CD1-CD2 4.19Å; Q207-L210 HydrophobicContact CB-CD1 3.98Å; Q207-L210 HydrophobicContact CB-CG 4.3Å; Q207-L210 HydrophobicContact CG-CD1 4.32Å; Q207-L210 WeakPolarHBondContact O-CD1 3.47Å; Q207-L210 WeakPolarHBondContact O-CG 3.04Å; Q207-L210 PolarHBondContact O-N 2.98Å
211	L	59.6	Low	75.2	Confident	153 Å²	153	23.8 Å²	23.8	80%	0.801	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.7	169.5	-61.9	177.2	0	0	0	112.4	C209	C209-L211 PolarHBondContact O-N 2.96Å
212	L	59.5	Low	75.2	Confident	23 Å²	23	24 Å²	24	12%	0.12	13%	0.125	C	C	.	.	S	Bend	trans	-106.5	155.8	-172.1	-53.4	177	0	0	0	112.6	R111 C209 N216 I220 A263 W266	R111-L212 PolarHBondContact NH1-O 3.03Å; R111-L212 PolarHBondContact NH2-O 3.15Å; R111-L212 VanDerWaalsContact NH2-O 3.07Å; C209-L212 HydrophobicContact CB-CD1 4.32Å; C209-L212 WeakPolarHBondContact O-CB 3.39Å; C209-L212 PolarHBondContact O-N 3Å; L212-N216 HydrophobicContact CB-CB 3.92Å; L212-N216 HydrophobicContact CD1-CB 4.45Å; L212-I220 HydrophobicContact CD1-CD1 3.23Å; L212-A263 HydrophobicContact CD1-CB 3.85Å; L212-W266 HydrophobicContact CD1-CB 4.05Å; L212-W266 HydrophobicContact CD1-CG 4.17Å; L212-W266 HydrophobicContact CD2-CB 4.41Å
213	E	64.4	Low	75.2	Confident	54 Å²	54	25.8 Å²	25.8	25%	0.252	13%	0.129	S	C	.	.			trans	-77	162.1	173.9	-47	176.2	159.2	0	0	111.8	K114 N215 N216 M217 K268	K114-E213 HydrophobicContact CB-CG 4.39Å; K114-E213 WeakPolarHBondContact O-CA 3.44Å; K114-E213 WeakPolarHBondContact O-CB 3.5Å; E213-N215 PolarHBondContact O-N 3.25Å; E213-N216 VanDerWaalsContact CB-ND2 3.32Å; E213-N216 WeakPolarHBondContact CB-ND2 3.45Å; E213-N216 PolarHBondContact N-ND2 2.94Å; E213-N216 WeakPolarHBondContact O-CA 3.33Å; E213-N216 WeakPolarHBondContact O-CB 3.38Å; E213-N216 PolarHBondContact O-N 2.93Å; E213-N216 PolarHBondContact O-ND2 2.97Å; E213-M217 PolarHBondContact O-N 2.8Å; E213-K268 VanDerWaalsContact CD-CE 3.46Å; E213-K268 WeakPolarHBondContact OE1-CD 3.5Å; E213-K268 WeakPolarHBondContact OE1-CE 3.46Å; E213-K268 IonicContact OE1-NZ 2.65Å; E213-K268 PolarHBondContact OE1-NZ 3.37Å; E213-K268 VanDerWaalsContact OE2-CD 3.31Å; E213-K268 WeakPolarHBondContact OE2-CD 3.46Å; E213-K268 WeakPolarHBondContact OE2-CE 3.35Å; E213-K268 IonicContact OE2-NZ 3.02Å; E213-K268 PolarHBondContact OE2-NZ 2.84Å
214	V	59.4	Low	75.3	Confident	11 Å²	11	26.2 Å²	26.2	7%	0.067	13%	0.131	C	C	.	.	H	α-helix	trans	-55.3	-47.7	-171.9	-175.4	0	0	0	0	113.7	K114 G115 N116 I117 N216 M217 Q218	K114-V214 PolarHBondContact O-N 2.95Å; G115-V214 WeakPolarHBondContact O-CG2 3.49Å; N116-V214 WeakPolarHBondContact O-CG2 3.2Å; I117-V214 HydrophobicContact CG1-CG2 4.34Å; V214-N216 PolarHBondContact O-N 3.01Å; V214-M217 WeakPolarHBondContact O-CA 3.41Å; V214-M217 WeakPolarHBondContact O-CB 3.24Å; V214-M217 PolarHBondContact O-N 2.91Å; V214-Q218 PolarHBondContact O-N 3.49Å
215	N	65.6	Low	76.3	Confident	44 Å²	44	26.7 Å²	26.7	24%	0.235	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-33.2	-179.6	-70.2	1.7	0	0	0	111.3	E213 M217 H219 V269	E213-N215 PolarHBondContact O-N 3.25Å; N215-M217 VanDerWaalsContact C-N 3.27Å; N215-M217 PolarHBondContact O-N 2.85Å; N215-H219 WeakPolarHBondContact O-CB 3.47Å; N215-H219 PolarHBondContact O-CD2 3.5Å; N215-H219 PolarHBondContact O-N 3.11Å; N215-V269 HydrophobicContact CB-CG2 3.8Å
216	N	81.3	Confident	77.7	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-64.2	-34.7	174.1	-57.6	-71.3	0	0	0	111.9	L212 E213 V214 H219 I220 W266 K268 V269	L212-N216 HydrophobicContact CB-CB 3.92Å; L212-N216 HydrophobicContact CD1-CB 4.45Å; E213-N216 VanDerWaalsContact CB-ND2 3.32Å; E213-N216 WeakPolarHBondContact CB-ND2 3.45Å; E213-N216 PolarHBondContact N-ND2 2.94Å; E213-N216 WeakPolarHBondContact O-CA 3.33Å; E213-N216 WeakPolarHBondContact O-CB 3.38Å; E213-N216 PolarHBondContact O-N 2.93Å; E213-N216 PolarHBondContact O-ND2 2.97Å; V214-N216 PolarHBondContact O-N 3.01Å; N216-H219 PolarHBondContact O-N 2.91Å; N216-I220 WeakPolarHBondContact O-CB 3.28Å; N216-I220 VanDerWaalsContact O-CG1 3.27Å; N216-I220 WeakPolarHBondContact O-CG1 3.44Å; N216-I220 PolarHBondContact O-N 3.38Å; N216-W266 VanDerWaalsContact CB-NE1 3.33Å; N216-W266 PolarHBondContact OD1-NE1 3.25Å; N216-K268 WeakPolarHBondContact OD1-CA 3.35Å; N216-V269 PolarHBondContact OD1-N 2.59Å
217	M	87	Confident	79.2	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-52.4	179.7	-166.2	64.1	74	0	0	111.9	I117 L144 S206 C209 E213 V214 N215 H219 I220 V221	I117-M217 HydrophobicContact CD1-CE 3.34Å; L144-M217 HydrophobicContact CD1-CG 4.18Å; S206-M217 WeakPolarHBondContact O-CE 3.33Å; C209-M217 HydrophobicContact CB-CE 3.28Å; C209-M217 HydrophobicContact CB-SD 3.47Å; C209-M217 WeakPolarHBondContact CB-SD 3.29Å; E213-M217 PolarHBondContact O-N 2.8Å; V214-M217 WeakPolarHBondContact O-CA 3.41Å; V214-M217 WeakPolarHBondContact O-CB 3.24Å; V214-M217 PolarHBondContact O-N 2.91Å; N215-M217 VanDerWaalsContact C-N 3.27Å; N215-M217 PolarHBondContact O-N 2.85Å; M217-H219 VanDerWaalsContact C-N 3.28Å; M217-H219 PolarHBondContact O-N 2.99Å; M217-I220 PolarHBondContact O-N 2.96Å; M217-I220 VanDerWaalsContact O-N 3.11Å; M217-V221 WeakPolarHBondContact O-CG2 3.19Å; M217-V221 PolarHBondContact O-N 2.83Å
218	Q	92.7	Very high	81	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-40.6	-179.8	-62.7	-168.7	22	0	0	110.5	I141 L166 V214 I220 V221 V222 H313 W366	I141-Q218 PolarHBondContact O-NE2 3.02Å; L166-Q218 HydrophobicContact CD2-CB 4.07Å; L166-Q218 HydrophobicContact CD2-CG 4.24Å; V214-Q218 PolarHBondContact O-N 3.49Å; Q218-I220 VanDerWaalsContact C-N 3.33Å; Q218-I220 PolarHBondContact O-N 2.94Å; Q218-V221 PolarHBondContact O-N 3.44Å; Q218-V222 WeakPolarHBondContact O-CB 3.16Å; Q218-V222 VanDerWaalsContact O-CG2 3.26Å; Q218-V222 WeakPolarHBondContact O-CG2 3.13Å; Q218-V222 PolarHBondContact O-N 3.18Å; Q218-H313 PolarHBondContact OE1-NE2 3.28Å; Q218-W366 HydrophobicContact CB-CH2 3.61Å; Q218-W366 HydrophobicContact CB-CZ2 4.21Å; Q218-W366 HydrophobicContact CB-CZ3 4.4Å
219	H	93.2	Very high	82.7	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-57.6	-42.1	173.2	-88.9	-108.1	0	0	0	113.7	N215 N216 M217 R223 W266 V269 E312 W366 P404	N215-H219 WeakPolarHBondContact O-CB 3.47Å; N215-H219 PolarHBondContact O-CD2 3.5Å; N215-H219 PolarHBondContact O-N 3.11Å; N216-H219 PolarHBondContact O-N 2.91Å; M217-H219 VanDerWaalsContact C-N 3.28Å; M217-H219 PolarHBondContact O-N 2.99Å; H219-R223 VanDerWaalsContact CA-NH1 3.34Å; H219-R223 VanDerWaalsContact CG-NH1 3.32Å; H219-R223 PolarHBondContact ND1-NH1 2.67Å; H219-R223 PolarHBondContact ND1-NH2 3.27Å; H219-R223 WeakPolarHBondContact O-CD 3.14Å; H219-R223 VanDerWaalsContact O-CG 3.29Å; H219-R223 WeakPolarHBondContact O-CG 3.45Å; H219-R223 PolarHBondContact O-N 2.82Å; H219-R223 PolarHBondContact O-NH1 3.07Å; H219-W266 HydrophobicContact CB-CH2 3.72Å; H219-W266 HydrophobicContact CB-CZ2 3.42Å; H219-W266 VanDerWaalsContact CB-CZ2 3.42Å; H219-V269 HydrophobicContact CB-CG1 4.49Å; H219-E312 IonicContact CE1-OE1 3.77Å; H219-E312 VanDerWaalsContact NE2-CD 3.34Å; H219-E312 WeakPolarHBondContact NE2-CG 3.09Å; H219-E312 IonicContact NE2-OE1 3.56Å; H219-E312 PolarHBondContact NE2-OE1 2.92Å; H219-W366 AromaticContact CD2-CZ2 3.4Å; H219-W366 WeakPolarHBondContact CD2-CZ2 3.43Å; H219-W366 AromaticContact CD2-NE1 3.99Å; H219-W366 AromaticContact CE1-NE1 3.54Å; H219-W366 AromaticContact ND1-NE1 3.91Å; H219-W366 AromaticContact NE2-CE2 3.84Å; H219-W366 AromaticContact NE2-CZ2 3.49Å; H219-W366 WeakPolarHBondContact NE2-CZ2 3.36Å; H219-W366 AromaticContact NE2-NE1 3.57Å; H219-P404 VanDerWaalsContact CE1-CB 3.43Å; H219-P404 WeakPolarHBondContact CE1-CB 3.3Å; H219-P404 VanDerWaalsContact CE1-CG 3.45Å; H219-P404 WeakPolarHBondContact CE1-CG 3.43Å; H219-P404 WeakPolarHBondContact ND1-CB 3.28Å
220	I	91.9	Very high	84.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-51.1	177.6	-75	167.6	0	0	0	109.1	L212 N216 M217 Q218 V222 R223 T224 I259 L262 A263 W266	L212-I220 HydrophobicContact CD1-CD1 3.23Å; N216-I220 WeakPolarHBondContact O-CB 3.28Å; N216-I220 VanDerWaalsContact O-CG1 3.27Å; N216-I220 WeakPolarHBondContact O-CG1 3.44Å; N216-I220 PolarHBondContact O-N 3.38Å; M217-I220 PolarHBondContact O-N 2.96Å; M217-I220 VanDerWaalsContact O-N 3.11Å; Q218-I220 VanDerWaalsContact C-N 3.33Å; Q218-I220 PolarHBondContact O-N 2.94Å; I220-V222 PolarHBondContact O-N 2.8Å; I220-R223 CarbonylContact O-C 3.54Å; I220-R223 WeakPolarHBondContact O-CA 3.41Å; I220-R223 PolarHBondContact O-N 3.29Å; I220-T224 HydrophobicContact CG2-CG2 4.07Å; I220-T224 WeakPolarHBondContact O-CB 3.39Å; I220-T224 WeakPolarHBondContact O-CG2 3.14Å; I220-T224 PolarHBondContact O-N 3.23Å; I220-T224 PolarHBondContact O-OG1 3.16Å; I220-I259 HydrophobicContact CG2-CB 4.29Å; I220-I259 HydrophobicContact CG2-CG1 4.15Å; I220-I259 HydrophobicContact CG2-CG2 4.11Å; I220-L262 HydrophobicContact CB-CD2 4.41Å; I220-L262 HydrophobicContact CG1-CD2 4.11Å; I220-L262 HydrophobicContact CG1-CG 4.25Å; I220-L262 HydrophobicContact CG2-CD2 4.28Å; I220-A263 HydrophobicContact CD1-CB 4.03Å; I220-W266 HydrophobicContact CD1-CB 4.24Å; I220-W266 HydrophobicContact CD1-CD2 3.97Å; I220-W266 HydrophobicContact CD1-CE3 4.37Å; I220-W266 HydrophobicContact CD1-CG 3.91Å; I220-W266 HydrophobicContact CG1-CD2 3.77Å; I220-W266 HydrophobicContact CG1-CE3 3.79Å; I220-W266 HydrophobicContact CG1-CG 4.26Å; I220-W266 HydrophobicContact CG1-CH2 4.45Å; I220-W266 HydrophobicContact CG1-CZ2 4.46Å; I220-W266 HydrophobicContact CG1-CZ3 4.14Å
221	V	93.9	Very high	85.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-46.9	-179	173.4	0	0	0	0	111.8	L144 L166 A167 M217 Q218 R223 T224 S225 M254	L144-V221 HydrophobicContact CD1-CG2 4.12Å; L166-V221 HydrophobicContact CD2-CB 3.86Å; L166-V221 HydrophobicContact CD2-CG1 3.66Å; L166-V221 HydrophobicContact CG-CG1 4.43Å; A167-V221 HydrophobicContact CB-CG1 3.51Å; M217-V221 WeakPolarHBondContact O-CG2 3.19Å; M217-V221 PolarHBondContact O-N 2.83Å; Q218-V221 PolarHBondContact O-N 3.44Å; V221-R223 PolarHBondContact O-N 2.93Å; V221-T224 PolarHBondContact O-N 3.12Å; V221-S225 VanDerWaalsContact O-CB 3.32Å; V221-S225 WeakPolarHBondContact O-CB 3.32Å; V221-S225 PolarHBondContact O-N 3.43Å; V221-S225 PolarHBondContact O-OG 2.9Å; V221-M254 HydrophobicContact CG1-CE 4.33Å; V221-M254 HydrophobicContact CG1-CG 4.37Å; V221-M254 HydrophobicContact CG2-CE 3.75Å
222	V	94.8	Very high	87.4	Confident	5 Å²	5	32.2 Å²	32.2	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-33.2	175.7	169	0	0	0	0	112.6	L166 Q218 I220 Y251 W366	L166-V222 HydrophobicContact CD1-CG2 3.8Å; L166-V222 HydrophobicContact CD2-CG2 4.32Å; L166-V222 HydrophobicContact CG-CG2 4.04Å; Q218-V222 WeakPolarHBondContact O-CB 3.16Å; Q218-V222 VanDerWaalsContact O-CG2 3.26Å; Q218-V222 WeakPolarHBondContact O-CG2 3.13Å; Q218-V222 PolarHBondContact O-N 3.18Å; I220-V222 PolarHBondContact O-N 2.8Å; V222-Y251 HydrophobicContact CB-CD2 4.16Å; V222-Y251 HydrophobicContact CB-CE2 4.32Å; V222-Y251 HydrophobicContact CB-CG 4.43Å; V222-Y251 HydrophobicContact CG1-CD1 4.05Å; V222-Y251 HydrophobicContact CG1-CD2 3.98Å; V222-Y251 HydrophobicContact CG1-CE1 3.9Å; V222-Y251 HydrophobicContact CG1-CE2 3.82Å; V222-Y251 HydrophobicContact CG1-CG 4.09Å; V222-Y251 HydrophobicContact CG2-CD2 3.74Å; V222-Y251 HydrophobicContact CG2-CE2 3.77Å; V222-Y251 HydrophobicContact CG2-CG 4.47Å; V222-W366 HydrophobicContact CG1-CB 4.19Å; V222-W366 HydrophobicContact CG1-CD2 4.32Å; V222-W366 HydrophobicContact CG1-CG 3.93Å; V222-W366 HydrophobicContact CG2-CD2 3.8Å; V222-W366 HydrophobicContact CG2-CE3 3.82Å; V222-W366 HydrophobicContact CG2-CG 4.27Å; V222-W366 HydrophobicContact CG2-CZ3 4.23Å
223	R	93.7	Very high	89	Confident	75 Å²	75	32.4 Å²	32.4	28%	0.283	17%	0.17	S	C	.	.	H	α-helix	trans	-89.2	-22.2	-177.3	-72.7	172.7	-179.8	72.3	0.3	113.9	H219 I220 V221 L262	H219-R223 VanDerWaalsContact CA-NH1 3.34Å; H219-R223 VanDerWaalsContact CG-NH1 3.32Å; H219-R223 PolarHBondContact ND1-NH1 2.67Å; H219-R223 PolarHBondContact ND1-NH2 3.27Å; H219-R223 WeakPolarHBondContact O-CD 3.14Å; H219-R223 VanDerWaalsContact O-CG 3.29Å; H219-R223 WeakPolarHBondContact O-CG 3.45Å; H219-R223 PolarHBondContact O-N 2.82Å; H219-R223 PolarHBondContact O-NH1 3.07Å; I220-R223 CarbonylContact O-C 3.54Å; I220-R223 WeakPolarHBondContact O-CA 3.41Å; I220-R223 PolarHBondContact O-N 3.29Å; V221-R223 PolarHBondContact O-N 2.93Å; R223-L262 HydrophobicContact CB-CD2 3.89Å
224	T	93.5	Very high	90.4	Very high	8 Å²	8	33.2 Å²	33.2	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-109.7	-20.7	-171.7	56.6	0	0	0	0	113.6	I220 V221 K258 I259 L262	I220-T224 HydrophobicContact CG2-CG2 4.07Å; I220-T224 WeakPolarHBondContact O-CB 3.39Å; I220-T224 WeakPolarHBondContact O-CG2 3.14Å; I220-T224 PolarHBondContact O-N 3.23Å; I220-T224 PolarHBondContact O-OG1 3.16Å; V221-T224 PolarHBondContact O-N 3.12Å; T224-K258 HydrophobicContact CG2-CB 3.96Å; T224-K258 WeakPolarHBondContact CG2-O 3.41Å; T224-I259 WeakPolarHBondContact OG1-CG1 2.99Å; T224-L262 HydrophobicContact CG2-CB 3.92Å; T224-L262 HydrophobicContact CG2-CD2 3.52Å; T224-L262 HydrophobicContact CG2-CG 4.37Å
225	S	96.1	Very high	92	Very high	13 Å²	13	33.9 Å²	33.9	9%	0.091	19%	0.191	C	C	.	.			trans	-58.7	137.7	174.9	-70.1	0	0	0	0	111.1	V221 I253	V221-S225 VanDerWaalsContact O-CB 3.32Å; V221-S225 WeakPolarHBondContact O-CB 3.32Å; V221-S225 PolarHBondContact O-N 3.43Å; V221-S225 PolarHBondContact O-OG 2.9Å; S225-I253 CarbonylContact C-O 3.59Å; S225-I253 VanDerWaalsContact CA-O 3.3Å; S225-I253 WeakPolarHBondContact CA-O 3.16Å
226	D	96.1	Very high	93.5	Very high	48 Å²	48	33.6 Å²	33.6	26%	0.257	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-108.3	112.7	-173.9	-163.4	-27.2	0	0	0	111.1	T228 I253 K258	D226-T228 VanDerWaalsContact C-N 3.34Å; D226-T228 WeakPolarHBondContact OD1-CB 3.3Å; D226-T228 PolarHBondContact OD1-N 2.97Å; D226-T228 PolarHBondContact OD1-OG1 3.41Å; D226-I253 PolarHBondContact N-O 2.88Å; D226-I253 PolarHBondContact O-N 2.02Å; D226-K258 IonicContact OD2-NZ 2.72Å; D226-K258 PolarHBondContact OD2-NZ 2.8Å
227	P	97.3	Very high	94.1	Very high	24 Å²	24	36.2 Å²	36.2	16%	0.156	20%	0.202	C	C	.	.			trans	-81.5	-13.8	178.7	33.9	-36.2	0	0	0	112.8	A229 L230 L231 W236 K244	P227-A229 PolarHBondContact O-N 3.27Å; P227-L230 CarbonylContact O-C 3.44Å; P227-L230 WeakPolarHBondContact O-CA 3.4Å; P227-L230 WeakPolarHBondContact O-CB 3.48Å; P227-L230 PolarHBondContact O-N 2.83Å; P227-L231 HydrophobicContact CB-CD2 4.09Å; P227-L231 WeakPolarHBondContact O-CG 2.99Å; P227-L231 PolarHBondContact O-N 2.98Å; P227-L231 VanDerWaalsContact O-N 3.12Å; P227-W236 HydrophobicContact CB-CE3 4.22Å; P227-W236 HydrophobicContact CB-CH2 3.47Å; P227-W236 VanDerWaalsContact CB-CH2 3.47Å; P227-W236 HydrophobicContact CB-CZ2 4.04Å; P227-W236 HydrophobicContact CB-CZ3 3.57Å; P227-K244 HydrophobicContact CB-CB 4.21Å; P227-K244 HydrophobicContact CG-CB 4.02Å
228	T	97	Very high	94.6	Very high	96 Å²	96	39.6 Å²	39.6	59%	0.589	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-51.8	-50.3	-162.4	-57.5	0	0	0	0	113.1	D226 L230 L231	D226-T228 VanDerWaalsContact C-N 3.34Å; D226-T228 WeakPolarHBondContact OD1-CB 3.3Å; D226-T228 PolarHBondContact OD1-N 2.97Å; D226-T228 PolarHBondContact OD1-OG1 3.41Å; T228-L230 PolarHBondContact O-N 3.2Å; T228-L231 PolarHBondContact O-N 2.62Å
229	A	95.5	Very high	94.8	Very high	38 Å²	38	39.6 Å²	39.6	31%	0.314	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-67.6	-19.5	-177.2	0	0	0	0	0	113.6	H153 P227 I253	H153-A229 HydrophobicContact CB-CB 4.28Å; H153-A229 WeakPolarHBondContact CB-O 3.49Å; H153-A229 WeakPolarHBondContact ND1-CB 3.36Å; P227-A229 PolarHBondContact O-N 3.27Å; A229-I253 HydrophobicContact CB-CD1 4.44Å
230	L	96.6	Very high	94.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-102.2	-8	-175.9	-60.4	174.1	0	0	0	113.2	S149 H153 P227 T228 K232 I233 W236 F249 I253	S149-L230 WeakPolarHBondContact OG-CD2 3.49Å; H153-L230 HydrophobicContact CB-CD2 3.89Å; P227-L230 CarbonylContact O-C 3.44Å; P227-L230 WeakPolarHBondContact O-CA 3.4Å; P227-L230 WeakPolarHBondContact O-CB 3.48Å; P227-L230 PolarHBondContact O-N 2.83Å; T228-L230 PolarHBondContact O-N 3.2Å; L230-K232 PolarHBondContact O-N 3.21Å; L230-K232 VanDerWaalsContact O-N 3.08Å; L230-I233 WeakPolarHBondContact O-CB 3.49Å; L230-I233 PolarHBondContact O-N 2.9Å; L230-W236 HydrophobicContact CB-CZ2 3.59Å; L230-W236 HydrophobicContact CD1-CZ2 4.25Å; L230-W236 PolarHBondContact O-NE1 2.78Å; L230-F249 HydrophobicContact CB-CD2 4.14Å; L230-F249 HydrophobicContact CB-CE2 4.35Å; L230-F249 HydrophobicContact CD1-CB 3.88Å; L230-F249 HydrophobicContact CD1-CD1 4.03Å; L230-F249 HydrophobicContact CD1-CD2 4.01Å; L230-F249 HydrophobicContact CD1-CG 3.72Å; L230-F249 HydrophobicContact CD2-CE1 4.46Å; L230-F249 HydrophobicContact CD2-CE2 4.38Å; L230-F249 HydrophobicContact CD2-CZ 4.3Å; L230-F249 HydrophobicContact CG-CD2 4.5Å; L230-I253 HydrophobicContact CD1-CD1 4.09Å; L230-I253 HydrophobicContact CD1-CG1 3.53Å; L230-I253 HydrophobicContact CD2-CD1 4.31Å; L230-I253 HydrophobicContact CG-CD1 4.06Å; L230-I253 HydrophobicContact CG-CG1 4.04Å
231	L	94.9	Very high	95	Very high	81 Å²	81	42.3 Å²	42.3	42%	0.424	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21	-177	-70.1	-180	0	0	0	113.7	P227 T228 I233 W236 K244	P227-L231 HydrophobicContact CB-CD2 4.09Å; P227-L231 WeakPolarHBondContact O-CG 2.99Å; P227-L231 PolarHBondContact O-N 2.98Å; P227-L231 VanDerWaalsContact O-N 3.12Å; T228-L231 PolarHBondContact O-N 2.62Å; L231-I233 PolarHBondContact O-N 3.12Å; L231-W236 HydrophobicContact CD2-CD2 3.97Å; L231-W236 HydrophobicContact CD2-CE3 4.45Å; L231-W236 HydrophobicContact CD2-CG 3.98Å; L231-K244 HydrophobicContact CD2-CG 4.26Å
232	K	91.5	Very high	95	Very high	148 Å²	148	45 Å²	45	64%	0.643	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.9	173.7	66.7	-179.2	178.1	-180	0	113.5	Q152 H153 L230	Q152-K232 PolarHBondContact O-NZ 3.3Å; H153-K232 VanDerWaalsContact O-CE 3.29Å; H153-K232 WeakPolarHBondContact O-CE 3.43Å; L230-K232 PolarHBondContact O-N 3.21Å; L230-K232 VanDerWaalsContact O-N 3.08Å
233	I	93.8	Very high	95.1	Very high	27 Å²	27	48 Å²	48	14%	0.138	28%	0.284	C	S	.	.	S	Bend	trans	-87.7	133.5	179.6	-59.6	-176.2	0	0	0	109.3	H153 G154 K155 L230 L231 K248 F249	H153-I233 VanDerWaalsContact O-CD1 3.3Å; H153-I233 WeakPolarHBondContact O-CD1 3.42Å; G154-I233 VanDerWaalsContact C-CD1 3.49Å; K155-I233 HydrophobicContact CB-CD1 4.34Å; L230-I233 WeakPolarHBondContact O-CB 3.49Å; L230-I233 PolarHBondContact O-N 2.9Å; L231-I233 PolarHBondContact O-N 3.12Å; I233-K248 HydrophobicContact CG2-CD 4.09Å; I233-F249 HydrophobicContact CB-CE2 3.97Å; I233-F249 HydrophobicContact CD1-CE2 3.65Å; I233-F249 HydrophobicContact CD1-CZ 3.54Å; I233-F249 HydrophobicContact CG1-CE2 4.35Å; I233-F249 HydrophobicContact CG2-CE2 3.88Å; I233-F249 HydrophobicContact CG2-CZ 4.41Å
234	S	93.5	Very high	95.2	Very high	70 Å²	70	48.6 Å²	48.6	49%	0.49	29%	0.288	S	S	.	.	S	Bend	trans	-62.2	153.4	178.3	63.3	0	0	0	0	113	K248	S234-K248 PolarHBondContact O-NZ 3.43Å
235	G	92.5	Very high	95.5	Very high	26 Å²	26	48.3 Å²	48.3	27%	0.268	29%	0.286	S	S	.	.			trans	106.5	3.7	174	0	0	0	0	0	115.8
236	W	95.9	Very high	95.6	Very high	38 Å²	38	47.7 Å²	47.7	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.7	167.9	-68.6	99.7	0	0	0	111.3	P227 L230 L231 K244 V245 F249 G250	P227-W236 HydrophobicContact CB-CE3 4.22Å; P227-W236 HydrophobicContact CB-CH2 3.47Å; P227-W236 VanDerWaalsContact CB-CH2 3.47Å; P227-W236 HydrophobicContact CB-CZ2 4.04Å; P227-W236 HydrophobicContact CB-CZ3 3.57Å; L230-W236 HydrophobicContact CB-CZ2 3.59Å; L230-W236 HydrophobicContact CD1-CZ2 4.25Å; L230-W236 PolarHBondContact O-NE1 2.78Å; L231-W236 HydrophobicContact CD2-CD2 3.97Å; L231-W236 HydrophobicContact CD2-CE3 4.45Å; L231-W236 HydrophobicContact CD2-CG 3.98Å; W236-K244 HydrophobicContact CE3-CB 3.93Å; W236-K244 HydrophobicContact CZ3-CB 4.27Å; W236-V245 WeakPolarHBondContact CA-O 3.45Å; W236-V245 VanDerWaalsContact CE3-C 3.47Å; W236-F249 HydrophobicContact CH2-CB 3.91Å; W236-F249 HydrophobicContact CZ2-CB 3.89Å; W236-F249 AromaticContact CZ2-CD2 3.74Å; W236-F249 HydrophobicContact CZ2-CD2 3.74Å; W236-F249 HydrophobicContact CZ2-CG 4.25Å; W236-G250 WeakPolarHBondContact CZ3-O 3.34Å
237	T	95.6	Very high	95.6	Very high	55 Å²	55	46.1 Å²	46.1	34%	0.337	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	160.5	167.4	56.9	0	0	0	0	109.4	K244 V245	T237-K244 WeakPolarHBondContact O-CA 3.16Å; T237-V245 PolarHBondContact N-O 3.07Å; T237-V245 PolarHBondContact O-N 3.42Å; T237-V245 PolarHBondContact OG1-O 3.43Å
238	T	96.9	Very high	95.7	Very high	72 Å²	72	45.5 Å²	45.5	44%	0.442	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.9	166.1	-59	0	0	0	0	107	R243 K244	T238-R243 CarbonylContact C-O 3.56Å; T238-R243 WeakPolarHBondContact CA-O 3.42Å; T238-K244 WeakPolarHBondContact OG1-CE 3.34Å; T238-K244 PolarHBondContact OG1-NZ 2.89Å
239	N	97	Very high	95.7	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	24%	0.242	C	C	.	.			trans	-79.1	176.2	178.6	81	-8.1	0	0	0	111.9	V241 G242 R243 V245 T338 Q364 W366 E368	N239-V241 PolarHBondContact O-N 3.47Å; N239-V241 WeakPolarHBondContact OD1-CG2 3.47Å; N239-V241 PolarHBondContact OD1-N 3.07Å; N239-G242 PolarHBondContact O-N 2.72Å; N239-G242 PolarHBondContact OD1-N 2.79Å; N239-R243 PolarHBondContact N-O 3.12Å; N239-R243 PolarHBondContact OD1-N 2.83Å; N239-R243 PolarHBondContact OD1-O 3.14Å; N239-V245 HydrophobicContact CB-CG1 4.42Å; N239-T338 VanDerWaalsContact CA-OG1 3.23Å; N239-T338 WeakPolarHBondContact CA-OG1 3.38Å; N239-T338 HydrophobicContact CB-CG2 3.99Å; N239-Q364 WeakPolarHBondContact CB-O 3.07Å; N239-Q364 PolarHBondContact ND2-O 3.44Å; N239-W366 PolarHBondContact ND2-O 2.72Å; N239-E368 WeakPolarHBondContact CB-OE1 3.41Å
240	G	94.6	Very high	95.9	Very high	27 Å²	27	39.1 Å²	39.1	28%	0.278	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.7	-174.3	0	0	0	0	0	114.6	M336 T338 E368	G240-M336 WeakPolarHBondContact O-CE 3.3Å; G240-T338 PolarHBondContact N-OG1 3.14Å; G240-E368 PolarHBondContact N-OE1 3.5Å
241	V	95	Very high	96	Very high	31 Å²	31	39.3 Å²	39.3	19%	0.188	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	18.7	179.7	-55.4	0	0	0	0	112.6	N239 R243 M336 W366 E368 Y411	N239-V241 PolarHBondContact O-N 3.47Å; N239-V241 WeakPolarHBondContact OD1-CG2 3.47Å; N239-V241 PolarHBondContact OD1-N 3.07Å; V241-R243 HydrophobicContact CG2-CG 4.37Å; V241-R243 PolarHBondContact O-N 3.49Å; V241-M336 HydrophobicContact CG1-CE 4.4Å; V241-W366 WeakPolarHBondContact CG2-O 3.3Å; V241-E368 HydrophobicContact CG1-CB 4.42Å; V241-E368 HydrophobicContact CG1-CG 3.85Å; V241-Y411 HydrophobicContact CG1-CE1 4.18Å; V241-Y411 WeakPolarHBondContact CG1-OH 3.01Å
242	G	93.8	Very high	96.1	Very high	55 Å²	55	35.5 Å²	35.5	57%	0.567	21%	0.207	S	C	*	.	S	Bend	trans	82.4	6.1	170.4	0	0	0	0	0	115.6	N239	N239-G242 PolarHBondContact O-N 2.72Å; N239-G242 PolarHBondContact OD1-N 2.79Å
243	R	95.8	Very high	96.4	Very high	69 Å²	69	29.3 Å²	29.3	26%	0.26	18%	0.181	S	C	.	.			trans	-85.9	139.1	179.4	-63.4	-172.5	-176.8	91.2	17	111.4	T238 N239 V241 Y251 W366	T238-R243 CarbonylContact C-O 3.56Å; T238-R243 WeakPolarHBondContact CA-O 3.42Å; N239-R243 PolarHBondContact N-O 3.12Å; N239-R243 PolarHBondContact OD1-N 2.83Å; N239-R243 PolarHBondContact OD1-O 3.14Å; V241-R243 HydrophobicContact CG2-CG 4.37Å; V241-R243 PolarHBondContact O-N 3.49Å; R243-Y251 HydrophobicContact CB-CD1 4.25Å; R243-Y251 HydrophobicContact CB-CE1 3.82Å; R243-Y251 HydrophobicContact CG-CE1 4.48Å; R243-W366 PolarHBondContact NH1-O 3.19Å
244	K	97.5	Very high	96.5	Very high	88 Å²	88	29 Å²	29	38%	0.383	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.1	169	-68	-64.3	-174.2	-175.8	0	109.6	P227 L231 W236 T237 T238	P227-K244 HydrophobicContact CB-CB 4.21Å; P227-K244 HydrophobicContact CG-CB 4.02Å; L231-K244 HydrophobicContact CD2-CG 4.26Å; W236-K244 HydrophobicContact CE3-CB 3.93Å; W236-K244 HydrophobicContact CZ3-CB 4.27Å; T237-K244 WeakPolarHBondContact O-CA 3.16Å; T238-K244 WeakPolarHBondContact OG1-CE 3.34Å; T238-K244 PolarHBondContact OG1-NZ 2.89Å
245	V	98.2	Very high	96.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.2	178.3	67	0	0	0	0	110.7	W236 T237 N239 G250 Y251 Q364	W236-V245 WeakPolarHBondContact CA-O 3.45Å; W236-V245 VanDerWaalsContact CE3-C 3.47Å; T237-V245 PolarHBondContact N-O 3.07Å; T237-V245 PolarHBondContact O-N 3.42Å; T237-V245 PolarHBondContact OG1-O 3.43Å; N239-V245 HydrophobicContact CB-CG1 4.42Å; V245-G250 WeakPolarHBondContact CA-O 3.3Å; V245-Y251 HydrophobicContact CB-CD1 4.36Å; V245-Y251 HydrophobicContact CB-CE1 4.07Å; V245-Y251 HydrophobicContact CG2-CD1 4.44Å; V245-Y251 HydrophobicContact CG2-CD2 4.4Å; V245-Y251 HydrophobicContact CG2-CE1 4.19Å; V245-Y251 HydrophobicContact CG2-CE2 4.16Å; V245-Q364 HydrophobicContact CG1-CB 3.97Å; V245-Q364 HydrophobicContact CG1-CG 4.2Å; V245-Q364 HydrophobicContact CG2-CB 4.23Å; V245-Q364 HydrophobicContact CG2-CG 3.83Å
246	S	98	Very high	96.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.3	-178.3	171.6	0	0	0	0	110.7	K248 F249 G250	S246-K248 PolarHBondContact O-N 3.13Å; S246-K248 VanDerWaalsContact O-N 3.16Å; S246-K248 WeakPolarHBondContact OG-CB 3.48Å; S246-K248 PolarHBondContact OG-N 3.42Å; S246-K248 VanDerWaalsContact OG-N 3.08Å; S246-F249 PolarHBondContact O-N 3.44Å; S246-G250 PolarHBondContact N-O 3.03Å; S246-G250 VanDerWaalsContact O-CA 3.3Å; S246-G250 WeakPolarHBondContact O-CA 3.07Å; S246-G250 PolarHBondContact O-N 2.86Å
247	S	98	Very high	95.9	Very high	15 Å²	15	32.9 Å²	32.9	11%	0.105	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.7	170.9	-52.8	0	0	0	0	113.2	E161 C162 Q364	E161-S247 CarbonylContact C-O 3.56Å; E161-S247 VanDerWaalsContact CA-O 3.3Å; E161-S247 WeakPolarHBondContact CA-O 3.46Å; C162-S247 PolarHBondContact N-O 3.25Å; C162-S247 WeakPolarHBondContact O-CA 3.37Å; S247-Q364 PolarHBondContact OG-NE2 3.32Å
248	K	97.8	Very high	95.7	Very high	10 Å²	10	34 Å²	34	4%	0.043	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-41.9	173.3	-64.5	164.1	179.8	167.5	0	111.9	S147 K155 L159 E161 I233 S234 S246	S147-K248 WeakPolarHBondContact CB-O 3.25Å; S147-K248 PolarHBondContact OG-O 2.84Å; K155-K248 HydrophobicContact CD-CD 4.09Å; K155-K248 HydrophobicContact CD-CG 4.4Å; L159-K248 HydrophobicContact CD2-CB 4.03Å; L159-K248 HydrophobicContact CD2-CG 4.13Å; E161-K248 VanDerWaalsContact CD-CE 3.43Å; E161-K248 HydrophobicContact CG-CG 3.62Å; E161-K248 WeakPolarHBondContact OE1-CE 3.33Å; E161-K248 WeakPolarHBondContact OE1-CG 3.37Å; E161-K248 WeakPolarHBondContact OE2-CE 3.09Å; E161-K248 WeakPolarHBondContact OE2-CG 3.42Å; I233-K248 HydrophobicContact CG2-CD 4.09Å; S234-K248 PolarHBondContact O-NZ 3.43Å; S246-K248 PolarHBondContact O-N 3.13Å; S246-K248 VanDerWaalsContact O-N 3.16Å; S246-K248 WeakPolarHBondContact OG-CB 3.48Å; S246-K248 PolarHBondContact OG-N 3.42Å; S246-K248 VanDerWaalsContact OG-N 3.08Å
249	F	98.3	Very high	95.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	2.6	-162	-57.1	-56	0	0	0	114.6	S148 K155 L159 A167 T168 L230 I233 W236 S246 Y251 G252	S148-F249 WeakPolarHBondContact O-CE1 3.36Å; K155-F249 HydrophobicContact CB-CZ 4.03Å; L159-F249 HydrophobicContact CD1-CD1 4.32Å; L159-F249 HydrophobicContact CD1-CE1 3.98Å; A167-F249 CarbonylContact C-O 3.6Å; T168-F249 HydrophobicContact CG2-CD1 4.08Å; T168-F249 VanDerWaalsContact OG1-C 3.3Å; T168-F249 WeakPolarHBondContact OG1-CA 3.35Å; T168-F249 WeakPolarHBondContact OG1-CB 3.26Å; T168-F249 PolarHBondContact OG1-O 3.22Å; L230-F249 HydrophobicContact CB-CD2 4.14Å; L230-F249 HydrophobicContact CB-CE2 4.35Å; L230-F249 HydrophobicContact CD1-CB 3.88Å; L230-F249 HydrophobicContact CD1-CD1 4.03Å; L230-F249 HydrophobicContact CD1-CD2 4.01Å; L230-F249 HydrophobicContact CD1-CG 3.72Å; L230-F249 HydrophobicContact CD2-CE1 4.46Å; L230-F249 HydrophobicContact CD2-CE2 4.38Å; L230-F249 HydrophobicContact CD2-CZ 4.3Å; L230-F249 HydrophobicContact CG-CD2 4.5Å; I233-F249 HydrophobicContact CB-CE2 3.97Å; I233-F249 HydrophobicContact CD1-CE2 3.65Å; I233-F249 HydrophobicContact CD1-CZ 3.54Å; I233-F249 HydrophobicContact CG1-CE2 4.35Å; I233-F249 HydrophobicContact CG2-CE2 3.88Å; I233-F249 HydrophobicContact CG2-CZ 4.41Å; W236-F249 HydrophobicContact CH2-CB 3.91Å; W236-F249 HydrophobicContact CZ2-CB 3.89Å; W236-F249 AromaticContact CZ2-CD2 3.74Å; W236-F249 HydrophobicContact CZ2-CD2 3.74Å; W236-F249 HydrophobicContact CZ2-CG 4.25Å; S246-F249 PolarHBondContact O-N 3.44Å; F249-Y251 PolarHBondContact O-N 2.99Å; F249-G252 PolarHBondContact O-N 2.74Å
250	G	98.4	Very high	94.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	56.1	-131	-169.5	0	0	0	0	0	110.9	T165 L166 W236 V245 S246 G252	T165-G250 WeakPolarHBondContact O-CA 3.47Å; L166-G250 WeakPolarHBondContact O-CA 3.46Å; W236-G250 WeakPolarHBondContact CZ3-O 3.34Å; V245-G250 WeakPolarHBondContact CA-O 3.3Å; S246-G250 PolarHBondContact N-O 3.03Å; S246-G250 VanDerWaalsContact O-CA 3.3Å; S246-G250 WeakPolarHBondContact O-CA 3.07Å; S246-G250 PolarHBondContact O-N 2.86Å; G250-G252 VanDerWaalsContact C-N 3.28Å; G250-G252 PolarHBondContact O-N 2.88Å
251	Y	98.2	Very high	94.3	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.02	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	0.5	176.4	-73.1	-83.1	0	0	0	114.2	L166 V222 R243 V245 F249 V363 Q364 W366	L166-Y251 WeakPolarHBondContact O-CD2 3.29Å; L166-Y251 PolarHBondContact O-N 3Å; V222-Y251 HydrophobicContact CB-CD2 4.16Å; V222-Y251 HydrophobicContact CB-CE2 4.32Å; V222-Y251 HydrophobicContact CB-CG 4.43Å; V222-Y251 HydrophobicContact CG1-CD1 4.05Å; V222-Y251 HydrophobicContact CG1-CD2 3.98Å; V222-Y251 HydrophobicContact CG1-CE1 3.9Å; V222-Y251 HydrophobicContact CG1-CE2 3.82Å; V222-Y251 HydrophobicContact CG1-CG 4.09Å; V222-Y251 HydrophobicContact CG2-CD2 3.74Å; V222-Y251 HydrophobicContact CG2-CE2 3.77Å; V222-Y251 HydrophobicContact CG2-CG 4.47Å; R243-Y251 HydrophobicContact CB-CD1 4.25Å; R243-Y251 HydrophobicContact CB-CE1 3.82Å; R243-Y251 HydrophobicContact CG-CE1 4.48Å; V245-Y251 HydrophobicContact CB-CD1 4.36Å; V245-Y251 HydrophobicContact CB-CE1 4.07Å; V245-Y251 HydrophobicContact CG2-CD1 4.44Å; V245-Y251 HydrophobicContact CG2-CD2 4.4Å; V245-Y251 HydrophobicContact CG2-CE1 4.19Å; V245-Y251 HydrophobicContact CG2-CE2 4.16Å; F249-Y251 PolarHBondContact O-N 2.99Å; Y251-V363 HydrophobicContact CE2-CG2 4.38Å; Y251-V363 PolarHBondContact OH-O 3.28Å; Y251-Q364 PolarHBondContact OH-O 2.91Å; Y251-W366 HydrophobicContact CE2-CB 4.37Å; Y251-W366 WeakPolarHBondContact OH-CB 3.32Å
252	G	98.1	Very high	94	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.			trans	117.6	-164.3	177.3	0	0	0	0	0	113.9	T168 F249 G250	T168-G252 PolarHBondContact N-O 2.83Å; F249-G252 PolarHBondContact O-N 2.74Å; G250-G252 VanDerWaalsContact C-N 3.28Å; G250-G252 PolarHBondContact O-N 2.88Å
253	I	97.4	Very high	93.5	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.097	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-74.6	130.4	-177.2	-56.5	-178.5	0	0	0	109.4	T168 Y170 S225 D226 A229 L230 D255	T168-I253 CarbonylContact O-C 3.38Å; T168-I253 VanDerWaalsContact O-CA 3.27Å; T168-I253 WeakPolarHBondContact O-CA 3.33Å; Y170-I253 HydrophobicContact CE1-CD1 4.24Å; Y170-I253 HydrophobicContact CE2-CD1 4.44Å; Y170-I253 HydrophobicContact CE2-CG2 4.13Å; S225-I253 CarbonylContact C-O 3.59Å; S225-I253 VanDerWaalsContact CA-O 3.3Å; S225-I253 WeakPolarHBondContact CA-O 3.16Å; D226-I253 PolarHBondContact N-O 2.88Å; D226-I253 PolarHBondContact O-N 2.02Å; A229-I253 HydrophobicContact CB-CD1 4.44Å; L230-I253 HydrophobicContact CD1-CD1 4.09Å; L230-I253 HydrophobicContact CD1-CG1 3.53Å; L230-I253 HydrophobicContact CD2-CD1 4.31Å; L230-I253 HydrophobicContact CG-CD1 4.06Å; L230-I253 HydrophobicContact CG-CG1 4.04Å; I253-D255 PolarHBondContact O-N 2.78Å
254	M	96	Very high	93	Very high	19 Å²	19	38.3 Å²	38.3	9%	0.094	19%	0.191	C	C	.	.			trans	-63.1	128.1	175	-65.4	-176.1	69.7	0	0	110.9	A167 T168 T169 A203 V205 V221 I259	A167-M254 HydrophobicContact CB-CG 3.63Å; A167-M254 HydrophobicContact CB-SD 4.22Å; T168-M254 PolarHBondContact O-N 3.05Å; T169-M254 HydrophobicContact CG2-CB 4.17Å; T169-M254 HydrophobicContact CG2-CG 4.16Å; T169-M254 HydrophobicContact CG2-SD 3.91Å; A203-M254 HydrophobicContact CB-CE 4.24Å; A203-M254 HydrophobicContact CB-SD 3.48Å; A203-M254 WeakPolarHBondContact CB-SD 3.04Å; V205-M254 HydrophobicContact CG1-CE 3.7Å; V221-M254 HydrophobicContact CG1-CE 4.33Å; V221-M254 HydrophobicContact CG1-CG 4.37Å; V221-M254 HydrophobicContact CG2-CE 3.75Å; M254-I259 HydrophobicContact CB-CD1 4.3Å; M254-I259 HydrophobicContact CE-CD1 3.8Å
255	D	92.1	Very high	92.5	Very high	39 Å²	39	43 Å²	43	21%	0.209	21%	0.207	C	C	.	.			trans	-110.3	106.3	-178.5	-176.6	-38.6	0	0	0	109.8	I253 E257 K258 I259	I253-D255 PolarHBondContact O-N 2.78Å; D255-E257 VanDerWaalsContact C-N 3.3Å; D255-E257 PolarHBondContact O-N 2.91Å; D255-E257 PolarHBondContact OD1-N 3.08Å; D255-E257 VanDerWaalsContact OD1-N 3.1Å; D255-K258 HydrophobicContact CB-CB 4.02Å; D255-K258 HydrophobicContact CB-CD 4.02Å; D255-K258 HydrophobicContact CB-CG 4.19Å; D255-K258 VanDerWaalsContact CG-CG 3.5Å; D255-K258 PolarHBondContact O-N 3.01Å; D255-K258 PolarHBondContact OD1-N 3.4Å; D255-K258 WeakPolarHBondContact OD2-CD 3.02Å; D255-K258 WeakPolarHBondContact OD2-CE 3.32Å; D255-K258 WeakPolarHBondContact OD2-CG 3.42Å; D255-K258 IonicContact OD2-NZ 3.27Å; D255-K258 PolarHBondContact OD2-NZ 3.19Å; D255-I259 WeakPolarHBondContact O-CB 3.09Å; D255-I259 WeakPolarHBondContact O-CD1 3.22Å; D255-I259 WeakPolarHBondContact O-CG1 3.47Å; D255-I259 PolarHBondContact O-N 3.03Å
256	A	90	Very high	91.9	Very high	42 Å²	42	43.9 Å²	43.9	35%	0.347	21%	0.21	S	C	.	.	H	α-helix	trans	-56.2	-43.3	-176.4	0	0	0	0	0	112.8	V205 I259 I260	V205-A256 HydrophobicContact CG2-CB 3.41Å; V205-A256 VanDerWaalsContact CG2-CB 3.41Å; A256-I259 PolarHBondContact O-N 3.24Å; A256-I260 WeakPolarHBondContact O-CD1 3.42Å; A256-I260 VanDerWaalsContact O-CG1 3.24Å; A256-I260 WeakPolarHBondContact O-CG1 3.26Å; A256-I260 PolarHBondContact O-N 3.11Å; A256-I260 VanDerWaalsContact O-N 3.1Å
257	E	87.4	Confident	91.4	Very high	136 Å²	136	50.1 Å²	50.1	64%	0.636	24%	0.237	S	C	*	.	H	α-helix	trans	-67.6	-49.5	-177.4	-179.6	176.7	-158	0	0	110.3	D255 I259 I260 L261	D255-E257 VanDerWaalsContact C-N 3.3Å; D255-E257 PolarHBondContact O-N 2.91Å; D255-E257 PolarHBondContact OD1-N 3.08Å; D255-E257 VanDerWaalsContact OD1-N 3.1Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 PolarHBondContact O-N 3.14Å; E257-I260 PolarHBondContact O-N 2.97Å; E257-L261 HydrophobicContact CG-CD1 3.82Å; E257-L261 HydrophobicContact CG-CG 4.29Å; E257-L261 WeakPolarHBondContact O-CB 3.33Å; E257-L261 VanDerWaalsContact O-CG 3.28Å; E257-L261 WeakPolarHBondContact O-CG 3.29Å; E257-L261 PolarHBondContact O-N 3.29Å
258	K	91	Very high	90.8	Very high	78 Å²	78	55.9 Å²	55.9	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-39.2	178.2	-69.6	179.5	-169.2	132.2	0	111.9	T224 D226 D255 L261 L262	T224-K258 HydrophobicContact CG2-CB 3.96Å; T224-K258 WeakPolarHBondContact CG2-O 3.41Å; D226-K258 IonicContact OD2-NZ 2.72Å; D226-K258 PolarHBondContact OD2-NZ 2.8Å; D255-K258 HydrophobicContact CB-CB 4.02Å; D255-K258 HydrophobicContact CB-CD 4.02Å; D255-K258 HydrophobicContact CB-CG 4.19Å; D255-K258 VanDerWaalsContact CG-CG 3.5Å; D255-K258 PolarHBondContact O-N 3.01Å; D255-K258 PolarHBondContact OD1-N 3.4Å; D255-K258 WeakPolarHBondContact OD2-CD 3.02Å; D255-K258 WeakPolarHBondContact OD2-CE 3.32Å; D255-K258 WeakPolarHBondContact OD2-CG 3.42Å; D255-K258 IonicContact OD2-NZ 3.27Å; D255-K258 PolarHBondContact OD2-NZ 3.19Å; K258-L261 PolarHBondContact O-N 3.42Å; K258-L262 VanDerWaalsContact O-CB 3.3Å; K258-L262 WeakPolarHBondContact O-CB 3.39Å; K258-L262 PolarHBondContact O-N 3.14Å
259	I	88.8	Confident	90.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.1	-53.2	174.9	-75.4	169.8	0	0	0	110.1	V205 C209 I220 T224 M254 D255 A256 E257 L262 A263	V205-I259 HydrophobicContact CG1-CD1 4.11Å; C209-I259 WeakPolarHBondContact SG-CG2 3.3Å; I220-I259 HydrophobicContact CG2-CB 4.29Å; I220-I259 HydrophobicContact CG2-CG1 4.15Å; I220-I259 HydrophobicContact CG2-CG2 4.11Å; T224-I259 WeakPolarHBondContact OG1-CG1 2.99Å; M254-I259 HydrophobicContact CB-CD1 4.3Å; M254-I259 HydrophobicContact CE-CD1 3.8Å; D255-I259 WeakPolarHBondContact O-CB 3.09Å; D255-I259 WeakPolarHBondContact O-CD1 3.22Å; D255-I259 WeakPolarHBondContact O-CG1 3.47Å; D255-I259 PolarHBondContact O-N 3.03Å; A256-I259 PolarHBondContact O-N 3.24Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 PolarHBondContact O-N 3.14Å; I259-L262 PolarHBondContact O-N 2.73Å; I259-A263 VanDerWaalsContact O-CB 3.26Å; I259-A263 WeakPolarHBondContact O-CB 3.3Å; I259-A263 PolarHBondContact O-N 3.25Å
260	I	83.8	Confident	90.2	Very high	52 Å²	52	57 Å²	57	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-47.4	-179.5	-65	162.2	0	0	0	111.5	L208 A256 E257 L262 A263 K264	L208-I260 HydrophobicContact CB-CD1 4.32Å; L208-I260 HydrophobicContact CB-CG1 3.77Å; L208-I260 HydrophobicContact CD1-CD1 3.65Å; L208-I260 HydrophobicContact CD1-CG1 3.95Å; L208-I260 HydrophobicContact CG-CD1 4.49Å; L208-I260 HydrophobicContact CG-CG1 4.44Å; A256-I260 WeakPolarHBondContact O-CD1 3.42Å; A256-I260 VanDerWaalsContact O-CG1 3.24Å; A256-I260 WeakPolarHBondContact O-CG1 3.26Å; A256-I260 PolarHBondContact O-N 3.11Å; A256-I260 VanDerWaalsContact O-N 3.1Å; E257-I260 PolarHBondContact O-N 2.97Å; I260-L262 VanDerWaalsContact C-N 3.28Å; I260-L262 PolarHBondContact O-N 2.87Å; I260-A263 PolarHBondContact O-N 2.83Å; I260-K264 HydrophobicContact CG2-CD 4.3Å; I260-K264 WeakPolarHBondContact O-CG 3.38Å; I260-K264 PolarHBondContact O-N 2.93Å; I260-K264 VanDerWaalsContact O-N 3.07Å
261	L	86.7	Confident	89.8	Confident	92 Å²	92	61.8 Å²	61.8	48%	0.482	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-39.2	-177.3	-71.3	176.8	0	0	0	111.3	E257 K258	E257-L261 HydrophobicContact CG-CD1 3.82Å; E257-L261 HydrophobicContact CG-CG 4.29Å; E257-L261 WeakPolarHBondContact O-CB 3.33Å; E257-L261 VanDerWaalsContact O-CG 3.28Å; E257-L261 WeakPolarHBondContact O-CG 3.29Å; E257-L261 PolarHBondContact O-N 3.29Å; K258-L261 PolarHBondContact O-N 3.42Å
262	L	87.8	Confident	89.5	Confident	23 Å²	23	64.7 Å²	64.7	12%	0.12	31%	0.313	C	S	.	.	H	α-helix	trans	-71.2	-42.9	175.7	-174.7	57.2	0	0	0	111.7	I220 R223 T224 K258 I259 I260 K264 R265 W266	I220-L262 HydrophobicContact CB-CD2 4.41Å; I220-L262 HydrophobicContact CG1-CD2 4.11Å; I220-L262 HydrophobicContact CG1-CG 4.25Å; I220-L262 HydrophobicContact CG2-CD2 4.28Å; R223-L262 HydrophobicContact CB-CD2 3.89Å; T224-L262 HydrophobicContact CG2-CB 3.92Å; T224-L262 HydrophobicContact CG2-CD2 3.52Å; T224-L262 HydrophobicContact CG2-CG 4.37Å; K258-L262 VanDerWaalsContact O-CB 3.3Å; K258-L262 WeakPolarHBondContact O-CB 3.39Å; K258-L262 PolarHBondContact O-N 3.14Å; I259-L262 PolarHBondContact O-N 2.73Å; I260-L262 VanDerWaalsContact C-N 3.28Å; I260-L262 PolarHBondContact O-N 2.87Å; L262-K264 VanDerWaalsContact C-N 3.33Å; L262-K264 PolarHBondContact O-N 3.1Å; L262-R265 HydrophobicContact CD1-CG 4.46Å; L262-R265 VanDerWaalsContact O-CG 3.25Å; L262-R265 WeakPolarHBondContact O-CG 3.33Å; L262-R265 PolarHBondContact O-N 2.79Å; L262-W266 HydrophobicContact CD1-CE3 3.84Å; L262-W266 HydrophobicContact CD1-CZ3 4.05Å; L262-W266 HydrophobicContact CD2-CE3 4.03Å; L262-W266 HydrophobicContact CD2-CZ3 3.81Å; L262-W266 HydrophobicContact CG-CE3 3.68Å; L262-W266 HydrophobicContact CG-CZ3 3.97Å; L262-W266 PolarHBondContact O-N 3.34Å; L262-W266 VanDerWaalsContact O-N 3.09Å
263	A	85.1	Confident	89.4	Confident	16 Å²	16	66.9 Å²	66.9	13%	0.132	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-39.3	-179.2	0	0	0	0	0	113.6	C209 L212 I220 I259 I260 R265 W266	C209-A263 HydrophobicContact CB-CB 4.33Å; C209-A263 WeakPolarHBondContact SG-CB 3.37Å; L212-A263 HydrophobicContact CD1-CB 3.85Å; I220-A263 HydrophobicContact CD1-CB 4.03Å; I259-A263 VanDerWaalsContact O-CB 3.26Å; I259-A263 WeakPolarHBondContact O-CB 3.3Å; I259-A263 PolarHBondContact O-N 3.25Å; I260-A263 PolarHBondContact O-N 2.83Å; A263-R265 PolarHBondContact O-N 2.84Å; A263-R265 VanDerWaalsContact O-N 3.15Å; A263-W266 WeakPolarHBondContact O-CB 3.09Å; A263-W266 PolarHBondContact O-N 2.78Å; A263-W266 VanDerWaalsContact O-N 3.11Å
264	K	84	Confident	89.2	Confident	168 Å²	168	68.8 Å²	68.8	73%	0.73	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27	178.7	-77.3	175.9	178.1	177	0	114.1	I260 L262	I260-K264 HydrophobicContact CG2-CD 4.3Å; I260-K264 WeakPolarHBondContact O-CG 3.38Å; I260-K264 PolarHBondContact O-N 2.93Å; I260-K264 VanDerWaalsContact O-N 3.07Å; L262-K264 VanDerWaalsContact C-N 3.33Å; L262-K264 PolarHBondContact O-N 3.1Å
265	R	86.6	Confident	89.2	Confident	187 Å²	187	68 Å²	68	71%	0.706	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	5.5	-179.7	62.8	-178.9	179.7	-177.9	0	112.8	L262 A263 K267	L262-R265 HydrophobicContact CD1-CG 4.46Å; L262-R265 VanDerWaalsContact O-CG 3.25Å; L262-R265 WeakPolarHBondContact O-CG 3.33Å; L262-R265 PolarHBondContact O-N 2.79Å; A263-R265 PolarHBondContact O-N 2.84Å; A263-R265 VanDerWaalsContact O-N 3.15Å; R265-K267 PolarHBondContact O-N 3.2Å
266	W	87.2	Confident	89.4	Confident	20 Å²	20	69.4 Å²	69.4	8%	0.076	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-73.5	127.9	-173.1	-168.5	-97.6	0	0	0	110.8	L212 N216 H219 I220 L262 A263 V269 Q405	L212-W266 HydrophobicContact CD1-CB 4.05Å; L212-W266 HydrophobicContact CD1-CG 4.17Å; L212-W266 HydrophobicContact CD2-CB 4.41Å; N216-W266 VanDerWaalsContact CB-NE1 3.33Å; N216-W266 PolarHBondContact OD1-NE1 3.25Å; H219-W266 HydrophobicContact CB-CH2 3.72Å; H219-W266 HydrophobicContact CB-CZ2 3.42Å; H219-W266 VanDerWaalsContact CB-CZ2 3.42Å; I220-W266 HydrophobicContact CD1-CB 4.24Å; I220-W266 HydrophobicContact CD1-CD2 3.97Å; I220-W266 HydrophobicContact CD1-CE3 4.37Å; I220-W266 HydrophobicContact CD1-CG 3.91Å; I220-W266 HydrophobicContact CG1-CD2 3.77Å; I220-W266 HydrophobicContact CG1-CE3 3.79Å; I220-W266 HydrophobicContact CG1-CG 4.26Å; I220-W266 HydrophobicContact CG1-CH2 4.45Å; I220-W266 HydrophobicContact CG1-CZ2 4.46Å; I220-W266 HydrophobicContact CG1-CZ3 4.14Å; L262-W266 HydrophobicContact CD1-CE3 3.84Å; L262-W266 HydrophobicContact CD1-CZ3 4.05Å; L262-W266 HydrophobicContact CD2-CE3 4.03Å; L262-W266 HydrophobicContact CD2-CZ3 3.81Å; L262-W266 HydrophobicContact CG-CE3 3.68Å; L262-W266 HydrophobicContact CG-CZ3 3.97Å; L262-W266 PolarHBondContact O-N 3.34Å; L262-W266 VanDerWaalsContact O-N 3.09Å; A263-W266 WeakPolarHBondContact O-CB 3.09Å; A263-W266 PolarHBondContact O-N 2.78Å; A263-W266 VanDerWaalsContact O-N 3.11Å; W266-V269 HydrophobicContact CZ2-CG1 3.8Å; W266-Q405 HydrophobicContact CE3-CG 4.04Å; W266-Q405 HydrophobicContact CH2-CG 3.42Å; W266-Q405 VanDerWaalsContact CH2-CG 3.42Å; W266-Q405 HydrophobicContact CZ2-CG 3.94Å; W266-Q405 VanDerWaalsContact CZ2-NE2 3.26Å; W266-Q405 HydrophobicContact CZ3-CG 3.47Å; W266-Q405 VanDerWaalsContact CZ3-CG 3.47Å
267	K	86.4	Confident	89.7	Confident	132 Å²	132	69 Å²	69	57%	0.574	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-91.1	141.2	168.2	-64.9	-166.8	-172.9	177.2	0	109.4	R265 V269 Q405 P406	R265-K267 PolarHBondContact O-N 3.2Å; K267-V269 PolarHBondContact O-N 3.2Å; K267-Q405 PolarHBondContact O-NE2 2.87Å; K267-P406 HydrophobicContact CD-CG 3.69Å
268	K	86.2	Confident	90.1	Very high	135 Å²	135	65.2 Å²	65.2	59%	0.587	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-51.4	130.2	175.2	172.4	172.5	166.8	163.5	0	110.1	E213 N216	E213-K268 VanDerWaalsContact CD-CE 3.46Å; E213-K268 WeakPolarHBondContact OE1-CD 3.5Å; E213-K268 WeakPolarHBondContact OE1-CE 3.46Å; E213-K268 IonicContact OE1-NZ 2.65Å; E213-K268 PolarHBondContact OE1-NZ 3.37Å; E213-K268 VanDerWaalsContact OE2-CD 3.31Å; E213-K268 WeakPolarHBondContact OE2-CD 3.46Å; E213-K268 WeakPolarHBondContact OE2-CE 3.35Å; E213-K268 IonicContact OE2-NZ 3.02Å; E213-K268 PolarHBondContact OE2-NZ 2.84Å; N216-K268 WeakPolarHBondContact OD1-CA 3.35Å
269	V	90.4	Very high	90.3	Very high	6 Å²	6	64.5 Å²	64.5	4%	0.036	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.4	152	175.7	-64.9	0	0	0	0	110.9	N215 N216 H219 W266 K267 P404	N215-V269 HydrophobicContact CB-CG2 3.8Å; N216-V269 PolarHBondContact OD1-N 2.59Å; H219-V269 HydrophobicContact CB-CG1 4.49Å; W266-V269 HydrophobicContact CZ2-CG1 3.8Å; K267-V269 PolarHBondContact O-N 3.2Å; V269-P404 HydrophobicContact CG1-CB 4.03Å
270	P	92.1	Very high	90.1	Very high	27 Å²	27	72.2 Å²	72.2	18%	0.175	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-56.9	163.6	172.3	-21.9	32.9	0	0	0	112.7	Q272 T400 V402	P270-Q272 PolarHBondContact O-N 2.88Å; P270-T400 HydrophobicContact CB-CG2 3.94Å; P270-T400 HydrophobicContact CG-CG2 4.28Å; P270-V402 HydrophobicContact CB-CG2 3.58Å; P270-V402 HydrophobicContact CG-CG2 3.27Å
271	P	90.7	Very high	90.1	Very high	102 Å²	102	71.9 Å²	71.9	66%	0.662	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-53.5	135.2	173.1	-24.6	34.8	0	0	0	111.7
272	Q	91.7	Very high	90	Very high	65 Å²	65	75.4 Å²	75.4	30%	0.304	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-73.6	133.4	174.8	-173.5	-176.1	66.3	0	0	109.6	P270 E312 G399	P270-Q272 PolarHBondContact O-N 2.88Å; Q272-E312 PolarHBondContact NE2-OE2 2.97Å; Q272-G399 CarbonylContact C-O 3.58Å; Q272-G399 WeakPolarHBondContact CA-O 3.45Å
273	H	95.2	Very high	90.1	Very high	46 Å²	46	82 Å²	82	21%	0.213	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.5	170.3	-67	169.6	0	0	0	109.8	A306 R307 V308 F398 G399	H273-A306 HydrophobicContact CB-CB 3.99Å; H273-R307 PolarHBondContact ND1-N 2.96Å; H273-R307 PolarHBondContact ND1-O 2.98Å; H273-V308 HydrophobicContact CB-CG2 3.87Å; H273-F398 WeakPolarHBondContact O-CA 3.22Å; H273-G399 PolarHBondContact N-O 2.85Å; H273-G399 PolarHBondContact O-N 2.9Å; H273-G399 VanDerWaalsContact O-N 3.07Å
274	S	94.8	Very high	90.5	Very high	60 Å²	60	84.6 Å²	84.6	42%	0.42	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.1	171.6	-179.7	0	0	0	0	108.2	T396 L397 F398	S274-T396 WeakPolarHBondContact OG-CG2 3.27Å; S274-L397 CarbonylContact C-O 3.56Å; S274-L397 WeakPolarHBondContact CA-O 3.41Å; S274-F398 WeakPolarHBondContact OG-CE1 3.39Å
275	C	95.6	Very high	90.9	Very high	2 Å²	2	78.6 Å²	78.6	1%	0.014	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	116.3	-175.2	175.9	0	0	0	0	110	F277 G301 C302 V308 T396 L397	C275-F277 WeakPolarHBondContact SG-CE2 3.45Å; C275-F277 VanDerWaalsContact SG-CZ 3.52Å; C275-G301 VanDerWaalsContact SG-C 3.58Å; C275-C302 VanDerWaalsContact CA-SG 3.59Å; C275-C302 HydrophobicContact CB-CB 3.85Å; C275-C302 WeakPolarHBondContact CB-SG 3.45Å; C275-C302 WeakPolarHBondContact SG-CB 3.27Å; C275-C302 PolarHBondContact SG-N 2.87Å; C275-C302 CovalentContact SG-SG 2.02Å; C275-C302 PolarHBondContact SG-SG 3.42Å; C275-V308 HydrophobicContact CB-CG2 3.91Å; C275-T396 WeakPolarHBondContact O-CA 3.48Å; C275-L397 HydrophobicContact CB-CB 4.42Å; C275-L397 PolarHBondContact N-O 3.2Å; C275-L397 PolarHBondContact O-N 3.5Å
276	T	96.4	Very high	91.3	Very high	68 Å²	68	74.6 Å²	74.6	42%	0.417	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.5	-175.4	-56.2	0	0	0	0	111.4	Q394 I395 T396	T276-Q394 HydrophobicContact CG2-CB 4.29Å; T276-I395 CarbonylContact C-O 3.59Å; T276-I395 VanDerWaalsContact CA-O 3.31Å; T276-I395 WeakPolarHBondContact CA-O 3.31Å; T276-T396 WeakPolarHBondContact CG2-OG1 3.09Å; T276-T396 WeakPolarHBondContact OG1-CG2 3.28Å; T276-T396 PolarHBondContact OG1-OG1 3.2Å
277	F	96.9	Very high	91.7	Very high	35 Å²	35	74 Å²	74	15%	0.154	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.4	170	-58.8	-96	0	0	0	109.7	C275 L297 V299 D300 Q394 I395 L397	C275-F277 WeakPolarHBondContact SG-CE2 3.45Å; C275-F277 VanDerWaalsContact SG-CZ 3.52Å; F277-L297 HydrophobicContact CB-CD2 3.8Å; F277-L297 HydrophobicContact CB-CG 4.44Å; F277-V299 HydrophobicContact CB-CG1 4.07Å; F277-V299 HydrophobicContact CD1-CB 4.21Å; F277-V299 HydrophobicContact CD1-CG1 4.2Å; F277-V299 HydrophobicContact CD2-CB 3.77Å; F277-V299 HydrophobicContact CD2-CG1 3.65Å; F277-V299 HydrophobicContact CE1-CB 4.13Å; F277-V299 HydrophobicContact CE2-CB 3.66Å; F277-V299 HydrophobicContact CE2-CG1 4.1Å; F277-V299 HydrophobicContact CG-CB 4.05Å; F277-V299 HydrophobicContact CG-CG1 3.71Å; F277-V299 HydrophobicContact CZ-CB 3.87Å; F277-D300 VanDerWaalsContact CE1-OD1 3.29Å; F277-D300 WeakPolarHBondContact CE1-OD1 3.2Å; F277-D300 WeakPolarHBondContact CZ-OD1 3.49Å; F277-Q394 CarbonylContact O-C 3.59Å; F277-Q394 VanDerWaalsContact O-CA 3.3Å; F277-Q394 WeakPolarHBondContact O-CA 3.2Å; F277-I395 HydrophobicContact CB-CG2 3.92Å; F277-I395 HydrophobicContact CD2-CG2 4.25Å; F277-I395 PolarHBondContact N-O 3.32Å; F277-I395 PolarHBondContact O-N 3.31Å; F277-L397 HydrophobicContact CD2-CD1 4.25Å; F277-L397 HydrophobicContact CE2-CD1 3.84Å
278	T	95.8	Very high	92	Very high	56 Å²	56	71.9 Å²	71.9	34%	0.344	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.3	179.1	-52.3	0	0	0	0	109.4	E280 Q394	T278-E280 HydrophobicContact CG2-CG 3.39Å; T278-Q394 HydrophobicContact CG2-CG 3.88Å
279	Y	93.4	Very high	92.4	Very high	62 Å²	62	66.1 Å²	66.1	24%	0.243	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	97.8	162.9	-176	-84.1	0	0	0	107.4	M281 F295 S296 L297 W393	Y279-M281 HydrophobicContact CD1-CG 3.99Å; Y279-M281 HydrophobicContact CE1-CG 3.54Å; Y279-M281 HydrophobicContact CE1-SD 3.73Å; Y279-F295 HydrophobicContact CE1-CB 4.49Å; Y279-F295 HydrophobicContact CE1-CD1 4.17Å; Y279-S296 WeakPolarHBondContact CE2-O 3.37Å; Y279-L297 HydrophobicContact CD2-CB 4.31Å; Y279-L297 HydrophobicContact CD2-CD1 4.27Å; Y279-W393 AromaticContact CD1-CD1 3.62Å; Y279-W393 AromaticContact CD1-NE1 3.67Å; Y279-W393 AromaticContact CD2-NE1 3.71Å; Y279-W393 AromaticContact CG-CD1 3.55Å; Y279-W393 AromaticContact CG-NE1 3.22Å; Y279-W393 PolarHBondContact N-O 3.41Å
280	E	84.9	Confident	92.5	Very high	162 Å²	162	71.4 Å²	71.4	76%	0.757	39%	0.389	S	S	*	.			trans	-87.1	146.1	178.2	-63	-172.5	169.1	0	0	110.6	T278	T278-E280 HydrophobicContact CG2-CG 3.39Å
281	M	84.1	Confident	92.7	Very high	46 Å²	46	71.7 Å²	71.7	23%	0.227	39%	0.387	C	S	.	.			trans	-128.2	143.3	170.3	-63.5	-148.9	-57.8	0	0	110.2	Y279 Y283 I285 F390 D391	Y279-M281 HydrophobicContact CD1-CG 3.99Å; Y279-M281 HydrophobicContact CE1-CG 3.54Å; Y279-M281 HydrophobicContact CE1-SD 3.73Å; M281-Y283 PolarHBondContact O-N 3.4Å; M281-I285 HydrophobicContact CE-CB 3.84Å; M281-I285 HydrophobicContact CE-CD1 3.44Å; M281-I285 VanDerWaalsContact CE-CD1 3.44Å; M281-I285 HydrophobicContact CE-CG1 3.38Å; M281-I285 HydrophobicContact SD-CD1 3.23Å; M281-I285 WeakPolarHBondContact SD-CD1 3.4Å; M281-I285 HydrophobicContact SD-CG1 3.76Å; M281-F390 HydrophobicContact CE-CD1 3.66Å; M281-F390 HydrophobicContact CE-CE1 4.09Å; M281-F390 WeakPolarHBondContact CE-O 3.31Å; M281-D391 WeakPolarHBondContact CE-O 3.43Å
282	D	84.5	Confident	92.9	Very high	166 Å²	166	69.8 Å²	69.8	89%	0.888	38%	0.377	S	S	*	.	S	Bend	trans	-66.9	-24.5	178.1	-64.2	-38.2	0	0	0	112.3
283	Y	90	Very high	93.1	Very high	160 Å²	160	71 Å²	71	63%	0.627	38%	0.382	S	S	*	.	S	Bend	trans	-153	149.2	-179.9	52.3	-91	0	0	0	111.3	M281 I285	M281-Y283 PolarHBondContact O-N 3.4Å; Y283-I285 PolarHBondContact O-N 3.33Å
284	P	93	Very high	93.2	Very high	71 Å²	71	73.1 Å²	73.1	46%	0.461	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-55.8	133	172.5	-28.8	37.2	0	0	0	113.1	F390 D391	P284-F390 CarbonylContact C-O 3.47Å; P284-F390 WeakPolarHBondContact CA-O 3.01Å; P284-D391 VanDerWaalsContact CB-OD1 3.23Å; P284-D391 WeakPolarHBondContact CB-OD1 3.45Å; P284-D391 VanDerWaalsContact CG-OD1 3.32Å; P284-D391 WeakPolarHBondContact CG-OD1 3.16Å
285	I	93.9	Very high	93.3	Very high	43 Å²	43	70.4 Å²	70.4	22%	0.221	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	123.4	174	-78.1	170.4	0	0	0	109.5	M281 Y283 L287 F295 S389 F390	M281-I285 HydrophobicContact CE-CB 3.84Å; M281-I285 HydrophobicContact CE-CD1 3.44Å; M281-I285 VanDerWaalsContact CE-CD1 3.44Å; M281-I285 HydrophobicContact CE-CG1 3.38Å; M281-I285 HydrophobicContact SD-CD1 3.23Å; M281-I285 WeakPolarHBondContact SD-CD1 3.4Å; M281-I285 HydrophobicContact SD-CG1 3.76Å; Y283-I285 PolarHBondContact O-N 3.33Å; I285-L287 HydrophobicContact CG2-CD2 4.48Å; I285-L287 PolarHBondContact O-N 3.11Å; I285-F295 HydrophobicContact CD1-CE1 3.69Å; I285-S389 CarbonylContact O-C 3.55Å; I285-S389 VanDerWaalsContact O-CA 3.24Å; I285-S389 WeakPolarHBondContact O-CA 3.47Å; I285-F390 HydrophobicContact CB-CB 4.45Å; I285-F390 PolarHBondContact N-O 3.47Å; I285-F390 PolarHBondContact O-N 3.02Å
286	P	95.1	Very high	93.3	Very high	103 Å²	103	73.5 Å²	73.5	67%	0.669	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.2	175.7	27.5	-33.1	0	0	0	110.8
287	L	94.8	Very high	93.3	Very high	7 Å²	7	71.2 Å²	71.2	4%	0.037	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.1	172.8	-56.5	173.9	0	0	0	108.1	I285 F291 I320 F322 L378 H387 G388 F390	I285-L287 HydrophobicContact CG2-CD2 4.48Å; I285-L287 PolarHBondContact O-N 3.11Å; L287-F291 HydrophobicContact CB-CE1 3.89Å; L287-F291 HydrophobicContact CB-CZ 4.03Å; L287-F291 HydrophobicContact CD1-CZ 4.01Å; L287-F291 HydrophobicContact CD2-CD2 4.45Å; L287-F291 HydrophobicContact CD2-CE2 3.95Å; L287-F291 HydrophobicContact CD2-CZ 4.01Å; L287-F291 HydrophobicContact CG-CZ 4.25Å; L287-I320 HydrophobicContact CD1-CG2 3.97Å; L287-F322 HydrophobicContact CB-CD2 4.33Å; L287-F322 HydrophobicContact CB-CE2 3.95Å; L287-F322 HydrophobicContact CD1-CD2 4.12Å; L287-F322 HydrophobicContact CD1-CE2 4.31Å; L287-L378 HydrophobicContact CD1-CD2 3.41Å; L287-L378 VanDerWaalsContact CD1-CD2 3.41Å; L287-L378 HydrophobicContact CD2-CD2 4.01Å; L287-L378 HydrophobicContact CG-CD2 4.35Å; L287-H387 CarbonylContact O-C 3.51Å; L287-H387 WeakPolarHBondContact O-CA 3.43Å; L287-G388 PolarHBondContact N-O 3.14Å; L287-G388 PolarHBondContact O-N 2.95Å; L287-F390 HydrophobicContact CD1-CB 4.1Å; L287-F390 HydrophobicContact CD2-CB 4.24Å; L287-F390 HydrophobicContact CG-CB 4.25Å
288	S	93.2	Very high	93.3	Very high	87 Å²	87	77.8 Å²	77.8	61%	0.608	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.3	144.8	179.2	62.9	0	0	0	0	112.3
289	G	93.1	Very high	93.3	Very high	15 Å²	15	75.3 Å²	75.3	16%	0.155	40%	0.396	C	S	.	.	S	Bend	trans	62.2	-151.8	177.4	0	0	0	0	0	113.4	F291 N380 P384 R386	G289-F291 WeakPolarHBondContact O-CD1 3.12Å; G289-N380 PolarHBondContact O-ND2 3.33Å; G289-P384 VanDerWaalsContact CA-O 3.31Å; G289-P384 WeakPolarHBondContact CA-O 3.36Å; G289-R386 PolarHBondContact N-O 2.89Å
290	M	94.1	Very high	93.4	Very high	117 Å²	117	75.6 Å²	75.6	58%	0.576	40%	0.402	S	S	*	.	S	Bend	trans	-83.3	128.8	171.5	-69.3	174.9	63.5	0	0	109.4	N380 T381 P384	M290-N380 CarbonylContact C-O 3.53Å; M290-N380 WeakPolarHBondContact CA-O 3.35Å; M290-T381 WeakPolarHBondContact CE-O 3.24Å; M290-P384 HydrophobicContact CG-CB 4.35Å
291	F	94.8	Very high	93.9	Very high	32 Å²	32	67.9 Å²	67.9	14%	0.14	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	162.3	-176.8	67.2	-94.9	0	0	0	111.7	L287 G289 Q293 F322 L328 L378 E379 N380	L287-F291 HydrophobicContact CB-CE1 3.89Å; L287-F291 HydrophobicContact CB-CZ 4.03Å; L287-F291 HydrophobicContact CD1-CZ 4.01Å; L287-F291 HydrophobicContact CD2-CD2 4.45Å; L287-F291 HydrophobicContact CD2-CE2 3.95Å; L287-F291 HydrophobicContact CD2-CZ 4.01Å; L287-F291 HydrophobicContact CG-CZ 4.25Å; G289-F291 WeakPolarHBondContact O-CD1 3.12Å; F291-Q293 HydrophobicContact CD2-CB 4.26Å; F291-F322 AromaticContact CE1-CE2 3.74Å; F291-F322 HydrophobicContact CE1-CE2 3.74Å; F291-F322 AromaticContact CE1-CZ 3.78Å; F291-F322 HydrophobicContact CE1-CZ 3.78Å; F291-F322 HydrophobicContact CZ-CE2 4.1Å; F291-F322 HydrophobicContact CZ-CZ 4.27Å; F291-L328 HydrophobicContact CZ-CD2 4.16Å; F291-L378 WeakPolarHBondContact CD2-O 3.24Å; F291-L378 HydrophobicContact CE2-CB 4.21Å; F291-L378 HydrophobicContact CE2-CD2 3.97Å; F291-L378 HydrophobicContact CE2-CG 3.72Å; F291-L378 WeakPolarHBondContact CE2-O 3.21Å; F291-L378 HydrophobicContact CZ-CD2 4.18Å; F291-L378 HydrophobicContact CZ-CG 4.12Å; F291-E379 VanDerWaalsContact O-CA 3.31Å; F291-E379 WeakPolarHBondContact O-CA 3.44Å; F291-N380 HydrophobicContact CD1-CB 3.85Å; F291-N380 HydrophobicContact CE1-CB 3.45Å; F291-N380 VanDerWaalsContact CE1-CB 3.45Å; F291-N380 HydrophobicContact CZ-CB 3.91Å; F291-N380 PolarHBondContact N-O 3.43Å; F291-N380 PolarHBondContact O-N 3.26Å
292	S	96.4	Very high	94.4	Very high	63 Å²	63	67.3 Å²	67.3	44%	0.441	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	106.7	167.5	-179.6	0	0	0	0	106.7	L378 E379	S292-L378 WeakPolarHBondContact CA-O 3.5Å; S292-E379 PolarHBondContact OG-OE1 3.12Å
293	Q	95.4	Very high	94.7	Very high	90 Å²	90	61.6 Å²	61.6	42%	0.421	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.8	-171	-167.2	67.6	51.2	0	0	109.8	F291 F295 T377 L378	F291-Q293 HydrophobicContact CD2-CB 4.26Å; Q293-F295 HydrophobicContact CB-CE2 4.21Å; Q293-F295 HydrophobicContact CB-CZ 4.2Å; Q293-F295 HydrophobicContact CG-CE1 3.98Å; Q293-F295 HydrophobicContact CG-CE2 3.91Å; Q293-F295 HydrophobicContact CG-CZ 3.48Å; Q293-F295 VanDerWaalsContact CG-CZ 3.48Å; Q293-T377 CarbonylContact O-C 3.53Å; Q293-T377 WeakPolarHBondContact O-CA 3.19Å; Q293-L378 PolarHBondContact N-O 3.39Å; Q293-L378 PolarHBondContact O-N 2.65Å
294	N	96.5	Very high	94.5	Very high	90 Å²	90	63.5 Å²	63.5	48%	0.481	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.8	177.8	-71.5	-22	0	0	0	111	V375 L376 T377	N294-V375 HydrophobicContact CB-CG1 3.86Å; N294-L376 CarbonylContact C-O 3.59Å; N294-L376 WeakPolarHBondContact CA-O 3.17Å; N294-T377 WeakPolarHBondContact OD1-CB 3.46Å; N294-T377 VanDerWaalsContact OD1-CG2 3.3Å; N294-T377 WeakPolarHBondContact OD1-CG2 3.48Å; N294-T377 PolarHBondContact OD1-OG1 3.16Å
295	F	96.5	Very high	94.3	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.018	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	117.3	172.5	-53.4	-78.9	0	0	0	108.4	Y279 I285 Q293 V375 L376 L378 F390	Y279-F295 HydrophobicContact CE1-CB 4.49Å; Y279-F295 HydrophobicContact CE1-CD1 4.17Å; I285-F295 HydrophobicContact CD1-CE1 3.69Å; Q293-F295 HydrophobicContact CB-CE2 4.21Å; Q293-F295 HydrophobicContact CB-CZ 4.2Å; Q293-F295 HydrophobicContact CG-CE1 3.98Å; Q293-F295 HydrophobicContact CG-CE2 3.91Å; Q293-F295 HydrophobicContact CG-CZ 3.48Å; Q293-F295 VanDerWaalsContact CG-CZ 3.48Å; F295-V375 WeakPolarHBondContact O-CA 3.26Å; F295-L376 HydrophobicContact CB-CB 4.33Å; F295-L376 HydrophobicContact CD2-CD2 4.17Å; F295-L376 PolarHBondContact N-O 2.63Å; F295-L376 PolarHBondContact O-N 3.37Å; F295-L378 HydrophobicContact CE2-CB 4.24Å; F295-F390 HydrophobicContact CD1-CD1 4.15Å; F295-F390 AromaticContact CD1-CE1 3.82Å; F295-F390 HydrophobicContact CD1-CE1 3.82Å; F295-F390 HydrophobicContact CD2-CD1 4.43Å; F295-F390 HydrophobicContact CD2-CE1 4.08Å; F295-F390 HydrophobicContact CD2-CE2 4.46Å; F295-F390 HydrophobicContact CD2-CZ 4.1Å; F295-F390 AromaticContact CE1-CD1 3.62Å; F295-F390 HydrophobicContact CE1-CD1 3.62Å; F295-F390 AromaticContact CE1-CE1 3.8Å; F295-F390 HydrophobicContact CE1-CE1 3.8Å; F295-F390 HydrophobicContact CE1-CG 4.41Å; F295-F390 AromaticContact CE2-CD1 3.92Å; F295-F390 HydrophobicContact CE2-CD1 3.92Å; F295-F390 HydrophobicContact CE2-CD2 4.21Å; F295-F390 HydrophobicContact CE2-CE1 4.03Å; F295-F390 HydrophobicContact CE2-CE2 4.33Å; F295-F390 HydrophobicContact CE2-CG 4.02Å; F295-F390 HydrophobicContact CE2-CZ 4.24Å; F295-F390 AromaticContact CG-CE1 3.96Å; F295-F390 HydrophobicContact CG-CE1 3.96Å; F295-F390 HydrophobicContact CG-CZ 4.25Å; F295-F390 HydrophobicContact CZ-CB 4.29Å; F295-F390 AromaticContact CZ-CD1 3.47Å; F295-F390 HydrophobicContact CZ-CD1 3.47Å; F295-F390 VanDerWaalsContact CZ-CD1 3.47Å; F295-F390 HydrophobicContact CZ-CD2 4.45Å; F295-F390 AromaticContact CZ-CE1 3.88Å; F295-F390 HydrophobicContact CZ-CE1 3.88Å; F295-F390 AromaticContact CZ-CG 3.8Å; F295-F390 HydrophobicContact CZ-CG 3.8Å
296	S	96.7	Very high	94.1	Very high	67 Å²	67	62.7 Å²	62.7	47%	0.469	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.2	-175.1	-60.4	0	0	0	0	110.5	Y279 W374	Y279-S296 WeakPolarHBondContact CE2-O 3.37Å; S296-W374 CarbonylContact C-O 3.5Å; S296-W374 WeakPolarHBondContact CA-O 3.33Å
297	L	96.8	Very high	94.2	Very high	20 Å²	20	59.8 Å²	59.8	11%	0.105	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.8	177.6	-178.8	62.8	0	0	0	109.1	F277 Y279 V299 W374 W393 I395	F277-L297 HydrophobicContact CB-CD2 3.8Å; F277-L297 HydrophobicContact CB-CG 4.44Å; Y279-L297 HydrophobicContact CD2-CB 4.31Å; Y279-L297 HydrophobicContact CD2-CD1 4.27Å; L297-V299 HydrophobicContact CD2-CG1 4.35Å; L297-V299 HydrophobicContact CG-CG1 4.12Å; L297-W374 PolarHBondContact N-O 2.79Å; L297-W374 PolarHBondContact O-N 2.7Å; L297-W393 HydrophobicContact CB-CH2 3.9Å; L297-W393 HydrophobicContact CB-CZ2 3.38Å; L297-W393 HydrophobicContact CD2-CH2 4.03Å; L297-W393 HydrophobicContact CD2-CZ2 3.94Å; L297-W393 HydrophobicContact CG-CZ2 4.33Å; L297-I395 HydrophobicContact CD2-CG2 3.73Å
298	K	96.7	Very high	94.3	Very high	172 Å²	172	59.5 Å²	59.5	75%	0.748	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.2	174.4	-169	176.3	-178	-178.1	0	108.9	G372	K298-G372 WeakPolarHBondContact CA-O 3.31Å
299	V	96.3	Very high	94.4	Very high	4 Å²	4	60 Å²	60	2%	0.024	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.6	-179.9	-49.8	0	0	0	0	110.1	F277 L297 P370 G372 W374 I395 L397	F277-V299 HydrophobicContact CB-CG1 4.07Å; F277-V299 HydrophobicContact CD1-CB 4.21Å; F277-V299 HydrophobicContact CD1-CG1 4.2Å; F277-V299 HydrophobicContact CD2-CB 3.77Å; F277-V299 HydrophobicContact CD2-CG1 3.65Å; F277-V299 HydrophobicContact CE1-CB 4.13Å; F277-V299 HydrophobicContact CE2-CB 3.66Å; F277-V299 HydrophobicContact CE2-CG1 4.1Å; F277-V299 HydrophobicContact CG-CB 4.05Å; F277-V299 HydrophobicContact CG-CG1 3.71Å; F277-V299 HydrophobicContact CZ-CB 3.87Å; L297-V299 HydrophobicContact CD2-CG1 4.35Å; L297-V299 HydrophobicContact CG-CG1 4.12Å; V299-P370 WeakPolarHBondContact CG2-O 3.26Å; V299-G372 PolarHBondContact N-O 3.12Å; V299-G372 PolarHBondContact O-N 3.38Å; V299-W374 VanDerWaalsContact CG2-NE1 3.29Å; V299-I395 HydrophobicContact CG1-CG2 4.06Å; V299-L397 HydrophobicContact CG2-CD1 4.42Å
300	D	95.6	Very high	94.6	Very high	68 Å²	68	60 Å²	60	36%	0.364	33%	0.326	S	S	.	.			trans	-111.4	5.9	-179.3	70.9	-3	0	0	0	113.1	F277 C302	F277-D300 VanDerWaalsContact CE1-OD1 3.29Å; F277-D300 WeakPolarHBondContact CE1-OD1 3.2Å; F277-D300 WeakPolarHBondContact CZ-OD1 3.49Å; D300-C302 VanDerWaalsContact C-N 3.28Å; D300-C302 PolarHBondContact O-N 3.49Å; D300-C302 WeakPolarHBondContact OD1-CA 3.08Å; D300-C302 PolarHBondContact OD1-N 3.02Å
301	G	93.8	Very high	94.8	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.01	30%	0.299	C	S	.	.			trans	64.5	27.1	-177.1	0	0	0	0	0	114.2	C275 R307 V308	C275-G301 VanDerWaalsContact SG-C 3.58Å; G301-R307 CarbonylContact O-C 3.45Å; G301-R307 VanDerWaalsContact O-CA 3.28Å; G301-R307 WeakPolarHBondContact O-CA 3.33Å; G301-R307 WeakPolarHBondContact O-CG 3.31Å; G301-V308 PolarHBondContact O-N 2.86Å
302	C	95.6	Very high	94.9	Very high	34 Å²	34	53.1 Å²	53.1	23%	0.23	29%	0.292	C	S	.	.	S	Bend	trans	59	51.1	-177.4	-67.9	0	0	0	0	111.9	C275 D300 Q304 G305	C275-C302 VanDerWaalsContact CA-SG 3.59Å; C275-C302 HydrophobicContact CB-CB 3.85Å; C275-C302 WeakPolarHBondContact CB-SG 3.45Å; C275-C302 WeakPolarHBondContact SG-CB 3.27Å; C275-C302 PolarHBondContact SG-N 2.87Å; C275-C302 CovalentContact SG-SG 2.02Å; C275-C302 PolarHBondContact SG-SG 3.42Å; D300-C302 VanDerWaalsContact C-N 3.28Å; D300-C302 PolarHBondContact O-N 3.49Å; D300-C302 WeakPolarHBondContact OD1-CA 3.08Å; D300-C302 PolarHBondContact OD1-N 3.02Å; C302-Q304 PolarHBondContact O-N 2.93Å; C302-G305 PolarHBondContact O-N 3.39Å
303	A	89.6	Confident	95	Very high	45 Å²	45	50.2 Å²	50.2	37%	0.372	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.8	-174.2	0	0	0	0	0	114.7
304	Q	86.5	Confident	95.2	Very high	201 Å²	201	46 Å²	46	94%	0.939	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	10.3	-179.4	-58.2	178.5	18.5	0	0	113.9	C302	C302-Q304 PolarHBondContact O-N 2.93Å
305	G	88.7	Confident	95.2	Very high	52 Å²	52	43.2 Å²	43.2	54%	0.536	24%	0.236	S	C	.	.	S	Bend	trans	-146.3	-135.4	-175.2	0	0	0	0	0	112.9	C302 R307	C302-G305 PolarHBondContact O-N 3.39Å; G305-R307 PolarHBondContact O-N 3.25Å
306	A	90.6	Very high	95.3	Very high	45 Å²	45	43.1 Å²	43.1	37%	0.372	24%	0.236	S	C	.	.	S	Bend	trans	-71.2	78.9	174.6	0	0	0	0	0	110.1	H273	H273-A306 HydrophobicContact CB-CB 3.99Å
307	R	96.4	Very high	95.4	Very high	42 Å²	42	41.3 Å²	41.3	16%	0.158	22%	0.221	C	C	.	.			trans	-65.9	135.5	-170	-171.6	174.9	-173.2	147.5	4.3	112	H273 G301 G305 R309 E371 E401	H273-R307 PolarHBondContact ND1-N 2.96Å; H273-R307 PolarHBondContact ND1-O 2.98Å; G301-R307 CarbonylContact O-C 3.45Å; G301-R307 VanDerWaalsContact O-CA 3.28Å; G301-R307 WeakPolarHBondContact O-CA 3.33Å; G301-R307 WeakPolarHBondContact O-CG 3.31Å; G305-R307 PolarHBondContact O-N 3.25Å; R307-R309 HydrophobicContact CG-CG 4.1Å; R307-R309 VanDerWaalsContact CZ-NH2 3.33Å; R307-R309 VanDerWaalsContact NH1-NH2 3.13Å; R307-E371 IonicContact NH2-OE2 3.19Å; R307-E371 PolarHBondContact NH2-OE2 2.88Å; R307-E401 HydrophobicContact CB-CB 4.44Å; R307-E401 HydrophobicContact CB-CG 4.07Å; R307-E401 HydrophobicContact CG-CG 4.42Å; R307-E401 WeakPolarHBondContact O-CB 3.46Å
308	V	97.3	Very high	95.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.216	C	C	.	.			trans	-112	116.6	169.9	-178.8	0	0	0	0	108.6	H273 C275 G301 L311 P370 L397	H273-V308 HydrophobicContact CB-CG2 3.87Å; C275-V308 HydrophobicContact CB-CG2 3.91Å; G301-V308 PolarHBondContact O-N 2.86Å; V308-L311 HydrophobicContact CG1-CD2 4.09Å; V308-P370 HydrophobicContact CB-CG 4.44Å; V308-P370 HydrophobicContact CG1-CG 4.16Å; V308-P370 VanDerWaalsContact O-CG 3.24Å; V308-P370 WeakPolarHBondContact O-CG 3.43Å; V308-L397 HydrophobicContact CG1-CB 4.47Å
309	R	96.1	Very high	95.2	Very high	96 Å²	96	32.6 Å²	32.6	36%	0.362	18%	0.183	S	C	.	.	S	Bend	trans	-114.5	-23.5	174.4	-70.9	-168.3	178.5	-166.2	-2.1	113.4	R307 N369 T400 E401	R307-R309 HydrophobicContact CG-CG 4.1Å; R307-R309 VanDerWaalsContact CZ-NH2 3.33Å; R307-R309 VanDerWaalsContact NH1-NH2 3.13Å; R309-N369 VanDerWaalsContact O-CA 3.3Å; R309-N369 WeakPolarHBondContact O-CA 2.9Å; R309-T400 PolarHBondContact N-O 2.94Å; R309-E401 WeakPolarHBondContact CB-O 3.4Å; R309-E401 WeakPolarHBondContact CD-O 3.33Å
310	Y	96.3	Very high	95.2	Very high	17 Å²	17	32.5 Å²	32.5	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	104	179.7	-59.5	-92.6	0	0	0	107.7	G399 T400 E401 P403 Y411	Y310-G399 VanDerWaalsContact O-CA 3.27Å; Y310-G399 WeakPolarHBondContact O-CA 3.07Å; Y310-T400 PolarHBondContact N-O 3.16Å; Y310-T400 PolarHBondContact O-N 3.16Å; Y310-E401 WeakPolarHBondContact CE2-O 3.43Å; Y310-P403 HydrophobicContact CE1-CB 4.4Å; Y310-P403 HydrophobicContact CE1-CG 4.24Å; Y310-P403 HydrophobicContact CE2-CG 4.01Å; Y310-P403 WeakPolarHBondContact OH-CG 3.17Å; Y310-Y411 AromaticContact CD1-CD2 3.94Å; Y310-Y411 HydrophobicContact CD1-CD2 3.94Å; Y310-Y411 AromaticContact CD1-CE2 3.54Å; Y310-Y411 HydrophobicContact CD1-CE2 3.54Å; Y310-Y411 AromaticContact CE1-CD2 3.37Å; Y310-Y411 HydrophobicContact CE1-CD2 3.37Å; Y310-Y411 AromaticContact CE1-CE2 3.31Å; Y310-Y411 HydrophobicContact CE1-CE2 3.31Å; Y310-Y411 AromaticContact CZ-CD2 3.94Å
311	L	98	Very high	95.2	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	145.5	-176.9	-81.9	174.3	0	0	0	113.1	V308 V314 Q365 G367 E368 P370 W374 L397	V308-L311 HydrophobicContact CG1-CD2 4.09Å; L311-V314 HydrophobicContact CD1-CG2 3.89Å; L311-V314 HydrophobicContact CD2-CG2 3.94Å; L311-V314 HydrophobicContact CG-CG2 4.48Å; L311-Q365 WeakPolarHBondContact CB-O 3.13Å; L311-Q365 HydrophobicContact CD1-CB 3.84Å; L311-G367 PolarHBondContact O-N 3.48Å; L311-E368 WeakPolarHBondContact CB-O 3.46Å; L311-E368 HydrophobicContact CD1-CB 4.24Å; L311-E368 WeakPolarHBondContact CG-O 3.43Å; L311-E368 PolarHBondContact N-O 3.01Å; L311-P370 HydrophobicContact CD1-CB 3.91Å; L311-P370 HydrophobicContact CD2-CB 4.07Å; L311-P370 HydrophobicContact CD2-CG 4.37Å; L311-P370 HydrophobicContact CG-CB 3.94Å; L311-P370 HydrophobicContact CG-CG 4.25Å; L311-W374 HydrophobicContact CD1-CH2 3.96Å; L311-W374 HydrophobicContact CD1-CZ2 3.86Å; L311-L397 HydrophobicContact CD2-CB 3.91Å; L311-L397 HydrophobicContact CD2-CD2 4.03Å; L311-L397 HydrophobicContact CD2-CG 4.48Å
312	E	97.6	Very high	95.3	Very high	2 Å²	2	34 Å²	34	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-73.3	167.4	-67.8	172.4	-175.5	0	0	108.3	H219 Q272 W366 F398	H219-E312 IonicContact CE1-OE1 3.77Å; H219-E312 VanDerWaalsContact NE2-CD 3.34Å; H219-E312 WeakPolarHBondContact NE2-CG 3.09Å; H219-E312 IonicContact NE2-OE1 3.56Å; H219-E312 PolarHBondContact NE2-OE1 2.92Å; Q272-E312 PolarHBondContact NE2-OE2 2.97Å; E312-W366 HydrophobicContact CB-CH2 4.03Å; E312-W366 HydrophobicContact CB-CZ2 3.78Å; E312-W366 HydrophobicContact CB-CZ3 4.48Å; E312-W366 HydrophobicContact CG-CH2 4.47Å; E312-W366 HydrophobicContact CG-CZ2 3.78Å; E312-F398 PolarHBondContact N-O 3.19Å
313	H	98.3	Very high	95.3	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146.8	178.2	-42.3	85.8	0	0	0	111.1	I141 Q218 W366 F398	I141-H313 HydrophobicContact CB-CB 4.39Å; I141-H313 HydrophobicContact CG2-CB 3.64Å; Q218-H313 PolarHBondContact OE1-NE2 3.28Å; H313-W366 AromaticContact CE1-CH2 3.9Å; H313-W366 AromaticContact NE2-CH2 3.76Å; H313-W366 AromaticContact NE2-CZ3 3.75Å; H313-F398 HydrophobicContact CB-CB 4.01Å; H313-F398 HydrophobicContact CB-CD2 3.94Å; H313-F398 HydrophobicContact CB-CG 4.26Å; H313-F398 PolarHBondContact N-O 3.46Å; H313-F398 PolarHBondContact O-N 3.15Å
314	V	98.7	Very high	95.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.8	169.9	179.2	0	0	0	0	108.2	L311 V316 M361 S362 Q365 W374 I395 L397	L311-V314 HydrophobicContact CD1-CG2 3.89Å; L311-V314 HydrophobicContact CD2-CG2 3.94Å; L311-V314 HydrophobicContact CG-CG2 4.48Å; V314-V316 HydrophobicContact CG1-CG2 4.4Å; V314-M361 CarbonylContact O-C 3.57Å; V314-M361 WeakPolarHBondContact O-CA 3.09Å; V314-S362 PolarHBondContact N-O 3.07Å; V314-S362 PolarHBondContact O-N 3.08Å; V314-Q365 HydrophobicContact CG2-CB 4.28Å; V314-W374 HydrophobicContact CG1-CH2 4.22Å; V314-W374 HydrophobicContact CG1-CZ3 4.11Å; V314-W374 HydrophobicContact CG2-CH2 3.9Å; V314-I395 HydrophobicContact CG1-CD1 3.87Å; V314-I395 HydrophobicContact CG1-CG1 3.9Å; V314-L397 HydrophobicContact CG1-CD2 4.38Å; V314-L397 HydrophobicContact CG2-CD2 4.38Å
315	Q	98.5	Very high	96	Very high	32 Å²	32	25.8 Å²	25.8	15%	0.15	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.9	170.6	-74.6	-176.8	-34.8	0	0	110.6	I141 F360 M361 I395 T396 F398	I141-Q315 HydrophobicContact CG2-CG 4.42Å; Q315-F360 CarbonylContact C-O 3.58Å; Q315-F360 WeakPolarHBondContact CA-O 3.45Å; Q315-M361 HydrophobicContact CG-CB 4.28Å; Q315-M361 HydrophobicContact CG-CG 4.12Å; Q315-I395 CarbonylContact O-C 3.56Å; Q315-I395 WeakPolarHBondContact O-CA 3.4Å; Q315-T396 PolarHBondContact N-O 3.01Å; Q315-T396 PolarHBondContact O-N 3.22Å; Q315-F398 HydrophobicContact CB-CE2 4.29Å; Q315-F398 HydrophobicContact CG-CE2 3.97Å
316	V	98.4	Very high	96.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	106.1	174.6	-176.8	0	0	0	0	107.2	V314 L318 I332 I342 F360 L376 W393 Q394	V314-V316 HydrophobicContact CG1-CG2 4.4Å; V316-L318 HydrophobicContact CG1-CD1 4.28Å; V316-L318 HydrophobicContact CG1-CD2 3.73Å; V316-L318 HydrophobicContact CG1-CG 3.92Å; V316-I332 HydrophobicContact CG2-CB 4.18Å; V316-I332 HydrophobicContact CG2-CD1 4.19Å; V316-I332 HydrophobicContact CG2-CG1 3.94Å; V316-I332 HydrophobicContact CG2-CG2 4.4Å; V316-I342 HydrophobicContact CB-CD1 3.96Å; V316-I342 HydrophobicContact CG1-CD1 3.9Å; V316-I342 HydrophobicContact CG2-CD1 4.3Å; V316-F360 HydrophobicContact CB-CB 4.41Å; V316-F360 PolarHBondContact N-O 3.26Å; V316-F360 WeakPolarHBondContact O-CB 3.45Å; V316-F360 PolarHBondContact O-N 2.9Å; V316-L376 HydrophobicContact CG1-CD1 3.91Å; V316-W393 HydrophobicContact CG1-CE3 3.88Å; V316-W393 HydrophobicContact CG1-CZ3 4.26Å; V316-Q394 CarbonylContact C-O 3.58Å; V316-Q394 WeakPolarHBondContact CA-O 3.25Å
317	I	97.3	Very high	96.6	Very high	29 Å²	29	21.4 Å²	21.4	15%	0.149	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.5	-176.5	-52.6	172.1	0	0	0	107.8	K357 W358 P359 W393 Q394	I317-K357 HydrophobicContact CG2-CB 3.95Å; I317-W358 WeakPolarHBondContact CA-O 3.34Å; I317-P359 HydrophobicContact CG1-CB 4.19Å; I317-W393 CarbonylContact O-C 3.54Å; I317-W393 VanDerWaalsContact O-CA 3.28Å; I317-W393 WeakPolarHBondContact O-CA 3.42Å; I317-Q394 HydrophobicContact CB-CB 4.16Å; I317-Q394 HydrophobicContact CD1-CB 4.44Å; I317-Q394 PolarHBondContact N-O 2.02Å; I317-Q394 PolarHBondContact O-N 2.92Å
318	L	95.6	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140	-171.8	-61.1	-178.5	0	0	0	113	V316 I320 I330 I342 K357 W358 F360 L376 W393	V316-L318 HydrophobicContact CG1-CD1 4.28Å; V316-L318 HydrophobicContact CG1-CD2 3.73Å; V316-L318 HydrophobicContact CG1-CG 3.92Å; L318-I320 HydrophobicContact CB-CG1 4.44Å; L318-I320 HydrophobicContact CD1-CD1 4.43Å; L318-I330 HydrophobicContact CD1-CD1 3.77Å; L318-I330 HydrophobicContact CD1-CG2 3.88Å; L318-I342 HydrophobicContact CD1-CD1 4.24Å; L318-K357 WeakPolarHBondContact O-CA 3.26Å; L318-K357 PolarHBondContact O-N 3.12Å; L318-W358 PolarHBondContact N-O 3.34Å; L318-W358 VanDerWaalsContact N-O 3.11Å; L318-W358 PolarHBondContact O-N 3.08Å; L318-F360 HydrophobicContact CB-CD2 4.38Å; L318-F360 HydrophobicContact CB-CE2 4.2Å; L318-F360 HydrophobicContact CD1-CD2 3.72Å; L318-F360 HydrophobicContact CD1-CE2 3.72Å; L318-F360 HydrophobicContact CG-CD2 4.02Å; L318-F360 HydrophobicContact CG-CE2 4.2Å; L318-L376 HydrophobicContact CD1-CD1 4.28Å; L318-L376 HydrophobicContact CD2-CD1 4.13Å; L318-L376 HydrophobicContact CD2-CD2 3.57Å; L318-W393 HydrophobicContact CD2-CB 3.33Å; L318-W393 HydrophobicContact CD2-CG 4.27Å
319	S	94.4	Very high	96.6	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.063	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113.5	166.8	-56.2	0	0	0	0	109.3	F355 K357 D391 D392	S319-F355 CarbonylContact C-O 3.6Å; S319-F355 WeakPolarHBondContact CA-O 3.36Å; S319-K357 PolarHBondContact OG-N 2.89Å; S319-D391 PolarHBondContact O-N 3.28Å; S319-D392 PolarHBondContact N-O 3.24Å
320	I	95.4	Very high	96.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	126.8	-178.3	-48.3	-175.1	0	0	0	108.4	L287 L318 F322 L328 I330 G354 F355 L378 S389 F390	L287-I320 HydrophobicContact CD1-CG2 3.97Å; L318-I320 HydrophobicContact CB-CG1 4.44Å; L318-I320 HydrophobicContact CD1-CD1 4.43Å; I320-F322 HydrophobicContact CG2-CB 4.47Å; I320-L328 HydrophobicContact CG2-CD1 4.21Å; I320-I330 HydrophobicContact CD1-CD1 4.28Å; I320-G354 CarbonylContact O-C 3.53Å; I320-G354 WeakPolarHBondContact O-CA 3.47Å; I320-F355 HydrophobicContact CB-CD2 3.76Å; I320-F355 HydrophobicContact CB-CE2 4.33Å; I320-F355 HydrophobicContact CD1-CD2 3.91Å; I320-F355 HydrophobicContact CD1-CE2 4.08Å; I320-F355 HydrophobicContact CG1-CD2 3.9Å; I320-F355 HydrophobicContact CG1-CE2 4.49Å; I320-F355 PolarHBondContact N-O 3.29Å; I320-F355 PolarHBondContact O-N 3.34Å; I320-L378 HydrophobicContact CD1-CD1 3.68Å; I320-L378 HydrophobicContact CD1-CD2 3.92Å; I320-L378 HydrophobicContact CD1-CG 4.43Å; I320-L378 HydrophobicContact CG2-CD2 4.49Å; I320-S389 WeakPolarHBondContact CA-O 2.98Å; I320-S389 WeakPolarHBondContact CG2-O 3.26Å; I320-F390 HydrophobicContact CD1-CD2 4.04Å; I320-F390 HydrophobicContact CD1-CE2 4.44Å; I320-F390 HydrophobicContact CG1-CD2 3.9Å; I320-F390 HydrophobicContact CG1-CE2 4.39Å
321	H	95.4	Very high	96.8	Very high	96 Å²	96	17.3 Å²	17.3	44%	0.444	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131	165.4	-68	-65.9	0	0	0	109.4	G388 S389 D391	H321-G388 CarbonylContact O-C 3.56Å; H321-G388 WeakPolarHBondContact O-CA 3.09Å; H321-S389 PolarHBondContact N-O 2.9Å; H321-S389 PolarHBondContact O-N 3.48Å; H321-D391 IonicContact CD2-OD2 3.6Å; H321-D391 PolarHBondContact CD2-OD2 2.94Å; H321-D391 IonicContact NE2-OD2 2.99Å
322	F	96.1	Very high	96.9	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.018	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	137.1	-179.7	-152.9	-115.1	0	0	0	111.8	L287 F291 I320 R324 D327 L328 N352 N380 R386	L287-F322 HydrophobicContact CB-CD2 4.33Å; L287-F322 HydrophobicContact CB-CE2 3.95Å; L287-F322 HydrophobicContact CD1-CD2 4.12Å; L287-F322 HydrophobicContact CD1-CE2 4.31Å; F291-F322 AromaticContact CE1-CE2 3.74Å; F291-F322 HydrophobicContact CE1-CE2 3.74Å; F291-F322 AromaticContact CE1-CZ 3.78Å; F291-F322 HydrophobicContact CE1-CZ 3.78Å; F291-F322 HydrophobicContact CZ-CE2 4.1Å; F291-F322 HydrophobicContact CZ-CZ 4.27Å; I320-F322 HydrophobicContact CG2-CB 4.47Å; F322-R324 WeakPolarHBondContact CD1-O 3.44Å; F322-R324 PolarHBondContact O-N 3.16Å; F322-R324 VanDerWaalsContact O-N 3.11Å; F322-D327 HydrophobicContact CE1-CB 4.38Å; F322-L328 HydrophobicContact CB-CD1 3.78Å; F322-L328 HydrophobicContact CB-CG 4.33Å; F322-L328 HydrophobicContact CD1-CD1 3.93Å; F322-L328 HydrophobicContact CD1-CD2 3.49Å; F322-L328 VanDerWaalsContact CD1-CD2 3.49Å; F322-L328 HydrophobicContact CD1-CG 3.5Å; F322-L328 HydrophobicContact CD2-CD2 4.01Å; F322-L328 HydrophobicContact CE1-CD2 3.51Å; F322-L328 HydrophobicContact CE1-CG 3.9Å; F322-L328 HydrophobicContact CE2-CD2 4.05Å; F322-L328 HydrophobicContact CG-CD1 3.92Å; F322-L328 HydrophobicContact CG-CD2 3.77Å; F322-L328 HydrophobicContact CG-CG 3.94Å; F322-L328 HydrophobicContact CZ-CD2 3.81Å; F322-N352 CarbonylContact O-C 3.38Å; F322-N352 WeakPolarHBondContact O-CA 3.49Å; F322-N380 HydrophobicContact CE1-CB 4.41Å; F322-N380 HydrophobicContact CZ-CB 3.97Å; F322-R386 HydrophobicContact CE1-CB 3.64Å; F322-R386 HydrophobicContact CE1-CG 4.24Å; F322-R386 HydrophobicContact CE2-CB 4.44Å; F322-R386 HydrophobicContact CZ-CB 3.55Å
323	S	96.1	Very high	96.9	Very high	32 Å²	32	19.9 Å²	19.9	22%	0.224	9%	0.094	C	C	.	.	S	Bend	trans	-67.8	-13.3	-172.6	57.1	0	0	0	0	114.8	H387	S323-H387 WeakPolarHBondContact CB-O 2.86Å; S323-H387 PolarHBondContact N-O 3.47Å; S323-H387 PolarHBondContact OG-N 3.05Å; S323-H387 VanDerWaalsContact OG-N 3.1Å; S323-H387 PolarHBondContact OG-O 3.24Å; S323-H387 VanDerWaalsContact OG-O 3.11Å
324	R	95.8	Very high	96.9	Very high	50 Å²	50	19.9 Å²	19.9	19%	0.189	9%	0.094	C	C	.	.			trans	-152.2	99	167.2	-173.7	167.6	-170.4	-107.4	-0.4	111.1	F322 G326 D327 P347 S351 R386	F322-R324 WeakPolarHBondContact CD1-O 3.44Å; F322-R324 PolarHBondContact O-N 3.16Å; F322-R324 VanDerWaalsContact O-N 3.11Å; R324-G326 VanDerWaalsContact C-N 3.29Å; R324-G326 PolarHBondContact O-N 2.97Å; R324-D327 WeakPolarHBondContact CD-OD2 3.43Å; R324-D327 IonicContact CZ-OD1 3.64Å; R324-D327 IonicContact NH1-OD1 2.93Å; R324-D327 PolarHBondContact NH1-OD1 2.89Å; R324-D327 IonicContact NH1-OD2 3.32Å; R324-D327 PolarHBondContact O-N 2.79Å; R324-D327 VanDerWaalsContact O-N 3.11Å; R324-P347 PolarHBondContact NH2-O 3.2Å; R324-S351 CarbonylContact C-O 3.59Å; R324-S351 WeakPolarHBondContact CA-O 3.43Å; R324-R386 VanDerWaalsContact CD-CZ 3.41Å
325	R	95.8	Very high	96.9	Very high	26 Å²	26	22 Å²	22	10%	0.098	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-54.3	-41.2	-174.1	-172.7	169.5	65.9	-173.4	-0.4	113.5	K90 D327 L328 D349 S351 G354 F355	K90-R325 PolarHBondContact O-NH2 3.02Å; R325-D327 PolarHBondContact O-N 3.45Å; R325-D327 VanDerWaalsContact O-N 3.14Å; R325-L328 WeakPolarHBondContact O-CB 3.17Å; R325-L328 PolarHBondContact O-N 3.35Å; R325-L328 VanDerWaalsContact O-N 3.08Å; R325-D349 WeakPolarHBondContact CG-OD2 3.47Å; R325-D349 IonicContact CZ-OD1 3.41Å; R325-D349 IonicContact CZ-OD2 3.92Å; R325-D349 IonicContact NE-OD1 2.81Å; R325-D349 PolarHBondContact NE-OD1 3.48Å; R325-D349 IonicContact NE-OD2 3.27Å; R325-D349 PolarHBondContact NE-OD2 3.28Å; R325-D349 IonicContact NH2-OD1 3.81Å; R325-D349 PolarHBondContact NH2-OD1 3.27Å; R325-D349 IonicContact NH2-OD2 2.65Å; R325-S351 WeakPolarHBondContact CB-O 3.31Å; R325-S351 PolarHBondContact N-O 3.2Å; R325-G354 WeakPolarHBondContact CD-O 3.45Å; R325-G354 PolarHBondContact NH1-O 3.2Å; R325-F355 VanDerWaalsContact CD-CE1 3.45Å; R325-F355 HydrophobicContact CG-CD1 4.3Å; R325-F355 HydrophobicContact CG-CE1 3.46Å; R325-F355 VanDerWaalsContact CG-CE1 3.46Å; R325-F355 HydrophobicContact CG-CZ 3.6Å
326	G	96.3	Very high	96.9	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-64.4	-15.9	-179.5	0	0	0	0	0	116.3	R324 L328 V345 R346 D349	R324-G326 VanDerWaalsContact C-N 3.29Å; R324-G326 PolarHBondContact O-N 2.97Å; G326-L328 VanDerWaalsContact C-N 3.32Å; G326-V345 VanDerWaalsContact O-CG1 3.31Å; G326-V345 WeakPolarHBondContact O-CG1 3.36Å; G326-R346 VanDerWaalsContact CA-O 3.22Å; G326-R346 WeakPolarHBondContact CA-O 3.34Å; G326-R346 PolarHBondContact O-N 3.09Å; G326-D349 VanDerWaalsContact CA-O 3.27Å; G326-D349 WeakPolarHBondContact CA-O 3.21Å; G326-D349 PolarHBondContact N-O 3.11Å
327	D	96	Very high	96.8	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-80.7	-15.1	176.2	-72.2	-16.7	0	0	0	112.6	F322 R324 R325 R382 R386	F322-D327 HydrophobicContact CE1-CB 4.38Å; R324-D327 WeakPolarHBondContact CD-OD2 3.43Å; R324-D327 IonicContact CZ-OD1 3.64Å; R324-D327 IonicContact NH1-OD1 2.93Å; R324-D327 PolarHBondContact NH1-OD1 2.89Å; R324-D327 IonicContact NH1-OD2 3.32Å; R324-D327 PolarHBondContact O-N 2.79Å; R324-D327 VanDerWaalsContact O-N 3.11Å; R325-D327 PolarHBondContact O-N 3.45Å; R325-D327 VanDerWaalsContact O-N 3.14Å; D327-R382 HydrophobicContact CB-CB 4.24Å; D327-R386 HydrophobicContact CB-CG 4.44Å; D327-R386 WeakPolarHBondContact OD2-CD 3.17Å; D327-R386 VanDerWaalsContact OD2-CG 3.29Å; D327-R386 WeakPolarHBondContact OD2-CG 3.39Å; D327-R386 IonicContact OD2-CZ 2.65Å; D327-R386 IonicContact OD2-NE 3.26Å; D327-R386 PolarHBondContact OD2-NE 2.64Å; D327-R386 IonicContact OD2-NH2 3.39Å
328	L	96.3	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.6	179.1	-65.2	175.3	0	0	0	111.4	F291 I320 F322 R325 G326 F355 L378 E379	F291-L328 HydrophobicContact CZ-CD2 4.16Å; I320-L328 HydrophobicContact CG2-CD1 4.21Å; F322-L328 HydrophobicContact CB-CD1 3.78Å; F322-L328 HydrophobicContact CB-CG 4.33Å; F322-L328 HydrophobicContact CD1-CD1 3.93Å; F322-L328 HydrophobicContact CD1-CD2 3.49Å; F322-L328 VanDerWaalsContact CD1-CD2 3.49Å; F322-L328 HydrophobicContact CD1-CG 3.5Å; F322-L328 HydrophobicContact CD2-CD2 4.01Å; F322-L328 HydrophobicContact CE1-CD2 3.51Å; F322-L328 HydrophobicContact CE1-CG 3.9Å; F322-L328 HydrophobicContact CE2-CD2 4.05Å; F322-L328 HydrophobicContact CG-CD1 3.92Å; F322-L328 HydrophobicContact CG-CD2 3.77Å; F322-L328 HydrophobicContact CG-CG 3.94Å; F322-L328 HydrophobicContact CZ-CD2 3.81Å; R325-L328 WeakPolarHBondContact O-CB 3.17Å; R325-L328 PolarHBondContact O-N 3.35Å; R325-L328 VanDerWaalsContact O-N 3.08Å; G326-L328 VanDerWaalsContact C-N 3.32Å; L328-F355 HydrophobicContact CD1-CE2 3.48Å; L328-F355 VanDerWaalsContact CD1-CE2 3.48Å; L328-F355 HydrophobicContact CD1-CZ 3.9Å; L328-L378 HydrophobicContact CD2-CD1 4.03Å; L328-L378 HydrophobicContact CD2-CG 4.46Å; L328-E379 WeakPolarHBondContact CA-O 3.3Å
329	R	97.3	Very high	96.9	Very high	65 Å²	65	30 Å²	30	25%	0.245	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.6	170.9	-167.4	-177.4	-167.1	-159.8	-2.3	108.5	F331 E341 L343 V345 E379	R329-F331 HydrophobicContact CG-CE2 3.67Å; R329-F331 HydrophobicContact CG-CZ 3.92Å; R329-F331 VanDerWaalsContact NE-CZ 3.28Å; R329-E341 IonicContact CZ-OE1 3.86Å; R329-E341 IonicContact NE-OE1 3.68Å; R329-E341 PolarHBondContact NE-OE1 3.05Å; R329-E341 IonicContact NH2-OE1 3.79Å; R329-E341 PolarHBondContact NH2-OE1 3.2Å; R329-E341 IonicContact NH2-OE2 3.76Å; R329-L343 CarbonylContact C-O 3.58Å; R329-L343 WeakPolarHBondContact CA-O 3.49Å; R329-V345 HydrophobicContact CB-CG2 4.11Å; R329-V345 HydrophobicContact CG-CG2 4.49Å; R329-E379 HydrophobicContact CB-CB 4.32Å; R329-E379 PolarHBondContact N-O 3.19Å; R329-E379 PolarHBondContact O-N 3.46Å
330	I	98	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.5	-169.7	-43.1	-179.5	0	0	0	110.6	L318 I320 E341 I342 L343 F355 F360 L376 T377 L378	L318-I330 HydrophobicContact CD1-CD1 3.77Å; L318-I330 HydrophobicContact CD1-CG2 3.88Å; I320-I330 HydrophobicContact CD1-CD1 4.28Å; I330-E341 CarbonylContact O-C 3.54Å; I330-I342 HydrophobicContact CB-CD1 4.3Å; I330-I342 HydrophobicContact CB-CG1 3.84Å; I330-I342 HydrophobicContact CG2-CD1 3.66Å; I330-I342 HydrophobicContact CG2-CG1 3.72Å; I330-I342 WeakPolarHBondContact O-CG1 3.21Å; I330-I342 PolarHBondContact O-N 3.11Å; I330-L343 HydrophobicContact CB-CB 4.02Å; I330-L343 HydrophobicContact CD1-CB 4.08Å; I330-L343 HydrophobicContact CD1-CD2 3.78Å; I330-L343 HydrophobicContact CG1-CB 3.94Å; I330-L343 HydrophobicContact CG1-CD2 4.13Å; I330-L343 PolarHBondContact N-O 3.41Å; I330-L343 PolarHBondContact O-N 3.1Å; I330-F355 HydrophobicContact CD1-CD2 4.44Å; I330-F355 HydrophobicContact CD1-CE2 3.71Å; I330-F355 HydrophobicContact CD1-CZ 4.17Å; I330-F360 HydrophobicContact CD1-CE2 4.4Å; I330-F360 HydrophobicContact CD1-CZ 4.41Å; I330-L376 HydrophobicContact CG2-CD1 3.73Å; I330-T377 WeakPolarHBondContact CA-O 3.38Å; I330-L378 HydrophobicContact CD1-CD1 4.04Å; I330-L378 HydrophobicContact CG1-CD1 3.71Å
331	F	98.6	Very high	97.3	Very high	4 Å²	4	31 Å²	31	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.8	176.4	-54.6	-95.5	0	0	0	111.9	R329 R339 S340 E341 L376 T377 E379	R329-F331 HydrophobicContact CG-CE2 3.67Å; R329-F331 HydrophobicContact CG-CZ 3.92Å; R329-F331 VanDerWaalsContact NE-CZ 3.28Å; F331-R339 HydrophobicContact CB-CG 4.44Å; F331-R339 HydrophobicContact CD1-CG 4.39Å; F331-R339 VanDerWaalsContact CE1-CZ 3.47Å; F331-R339 VanDerWaalsContact CG-CZ 3.42Å; F331-R339 VanDerWaalsContact CZ-NH2 3.34Å; F331-S340 CarbonylContact C-O 3.41Å; F331-S340 WeakPolarHBondContact CA-O 3.34Å; F331-E341 HydrophobicContact CD1-CB 3.65Å; F331-E341 HydrophobicContact CD1-CG 4.02Å; F331-E341 HydrophobicContact CE1-CB 3.56Å; F331-E341 HydrophobicContact CE1-CG 3.63Å; F331-E341 HydrophobicContact CZ-CG 4.25Å; F331-L376 WeakPolarHBondContact O-CA 3.42Å; F331-T377 HydrophobicContact CD2-CG2 4.5Å; F331-T377 PolarHBondContact N-O 2.96Å; F331-T377 PolarHBondContact O-N 2.75Å; F331-E379 HydrophobicContact CE2-CG 4.47Å
332	I	98.5	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.4	167	-170.2	66.6	0	0	0	109.2	V316 R339 S340 I342 W374 L376 W393	V316-I332 HydrophobicContact CG2-CB 4.18Å; V316-I332 HydrophobicContact CG2-CD1 4.19Å; V316-I332 HydrophobicContact CG2-CG1 3.94Å; V316-I332 HydrophobicContact CG2-CG2 4.4Å; I332-R339 CarbonylContact O-C 2.98Å; I332-R339 WeakPolarHBondContact O-CA 3.3Å; I332-S340 PolarHBondContact N-O 3.42Å; I332-S340 PolarHBondContact O-N 2.97Å; I332-I342 HydrophobicContact CB-CG2 4.5Å; I332-I342 HydrophobicContact CG2-CG2 3.69Å; I332-W374 HydrophobicContact CD1-CE3 4.04Å; I332-W374 HydrophobicContact CG1-CE3 3.66Å; I332-W374 HydrophobicContact CG1-CZ3 4Å; I332-L376 HydrophobicContact CD1-CB 4.34Å; I332-W393 HydrophobicContact CD1-CH2 3.95Å; I332-W393 HydrophobicContact CD1-CZ3 3.85Å
333	L	98.7	Very high	97.4	Very high	58 Å²	58	26.4 Å²	26.4	30%	0.304	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.6	175.1	178.9	68.9	0	0	0	109.4	G337 R339 W374 V375	L333-G337 WeakPolarHBondContact CD1-O 3.44Å; L333-R339 HydrophobicContact CD1-CB 3.93Å; L333-W374 WeakPolarHBondContact O-CA 3.42Å; L333-V375 HydrophobicContact CB-CB 4.17Å; L333-V375 HydrophobicContact CD2-CB 4.46Å; L333-V375 HydrophobicContact CD2-CG2 4.46Å; L333-V375 PolarHBondContact N-O 2.8Å; L333-V375 PolarHBondContact O-N 3.35Å
334	S	98.6	Very high	97.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	13%	0.133	C	C	.	.			trans	-76.9	159.2	173.7	65.7	0	0	0	0	112.3	M336 G337 T338 E368	S334-M336 PolarHBondContact O-N 2.98Å; S334-M336 VanDerWaalsContact O-N 3.15Å; S334-G337 PolarHBondContact O-N 3.45Å; S334-G337 PolarHBondContact OG-N 2.81Å; S334-T338 PolarHBondContact N-O 2.65Å; S334-T338 WeakPolarHBondContact OG-CA 3.48Å; S334-T338 WeakPolarHBondContact OG-CB 3.42Å; S334-T338 PolarHBondContact OG-N 2.76Å; S334-T338 PolarHBondContact OG-O 2.65Å; S334-E368 WeakPolarHBondContact CB-OE2 3.47Å; S334-E368 PolarHBondContact OG-OE2 3.43Å; S334-E368 VanDerWaalsContact OG-OE2 3.05Å
335	P	98.2	Very high	97.5	Very high	45 Å²	45	23.6 Å²	23.6	29%	0.292	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.6	172.8	-26.6	34.5	0	0	0	114.5	G337 P370 E371 W374	P335-G337 VanDerWaalsContact C-N 3.26Å; P335-G337 PolarHBondContact O-N 3.08Å; P335-P370 WeakPolarHBondContact CG-O 3.5Å; P335-E371 WeakPolarHBondContact CB-O 3.14Å; P335-W374 VanDerWaalsContact CD-NE1 3.29Å; P335-W374 HydrophobicContact CG-CG 4.44Å
336	M	97.7	Very high	97.5	Very high	72 Å²	72	22.4 Å²	22.4	36%	0.355	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	5.7	178	-60.1	-171.4	72.6	0	0	113.7	G240 V241 S334 E368 N369	G240-M336 WeakPolarHBondContact O-CE 3.3Å; V241-M336 HydrophobicContact CG1-CE 4.4Å; S334-M336 PolarHBondContact O-N 2.98Å; S334-M336 VanDerWaalsContact O-N 3.15Å; M336-E368 HydrophobicContact CB-CG 4.36Å; M336-E368 HydrophobicContact CG-CB 4.41Å; M336-E368 HydrophobicContact CG-CG 4.49Å; M336-E368 HydrophobicContact SD-CB 3.57Å; M336-E368 VanDerWaalsContact SD-CB 3.57Å; M336-E368 HydrophobicContact SD-CG 3.71Å; M336-N369 HydrophobicContact SD-CB 4.37Å; M336-N369 PolarHBondContact SD-N 2.8Å; M336-N369 VanDerWaalsContact SD-N 3.39Å
337	G	96.5	Very high	97.4	Very high	53 Å²	53	24 Å²	24	55%	0.546	13%	0.131	S	C	.	.	S	Bend	trans	92.8	1	173.4	0	0	0	0	0	116.4	L333 S334 P335 R339	L333-G337 WeakPolarHBondContact CD1-O 3.44Å; S334-G337 PolarHBondContact O-N 3.45Å; S334-G337 PolarHBondContact OG-N 2.81Å; P335-G337 VanDerWaalsContact C-N 3.26Å; P335-G337 PolarHBondContact O-N 3.08Å; G337-R339 PolarHBondContact O-N 3.47Å
338	T	98.2	Very high	97.4	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	15%	0.151	C	C	.	.			trans	-74	114.2	175.7	-57.8	0	0	0	0	111.6	N239 G240 S334 Q364 Q365 E368	N239-T338 VanDerWaalsContact CA-OG1 3.23Å; N239-T338 WeakPolarHBondContact CA-OG1 3.38Å; N239-T338 HydrophobicContact CB-CG2 3.99Å; G240-T338 PolarHBondContact N-OG1 3.14Å; S334-T338 PolarHBondContact N-O 2.65Å; S334-T338 WeakPolarHBondContact OG-CA 3.48Å; S334-T338 WeakPolarHBondContact OG-CB 3.42Å; S334-T338 PolarHBondContact OG-N 2.76Å; S334-T338 PolarHBondContact OG-O 2.65Å; T338-Q364 HydrophobicContact CG2-CB 4.25Å; T338-Q365 HydrophobicContact CG2-CG 4.08Å; T338-E368 VanDerWaalsContact CB-OE1 3.27Å; T338-E368 WeakPolarHBondContact CB-OE1 3.44Å; T338-E368 PolarHBondContact OG1-OE1 2.74Å
339	R	98	Very high	97.4	Very high	102 Å²	102	28.4 Å²	28.4	39%	0.385	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120.9	177.7	-168.7	173.9	-175.1	-99.8	0.3	110.9	F331 I332 L333 G337	F331-R339 HydrophobicContact CB-CG 4.44Å; F331-R339 HydrophobicContact CD1-CG 4.39Å; F331-R339 VanDerWaalsContact CE1-CZ 3.47Å; F331-R339 VanDerWaalsContact CG-CZ 3.42Å; F331-R339 VanDerWaalsContact CZ-NH2 3.34Å; I332-R339 CarbonylContact O-C 2.98Å; I332-R339 WeakPolarHBondContact O-CA 3.3Å; L333-R339 HydrophobicContact CD1-CB 3.93Å; G337-R339 PolarHBondContact O-N 3.47Å
340	S	98.3	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.2	176.9	-59.1	0	0	0	0	110.6	F331 I332 I342 S362 Q364 Q365	F331-S340 CarbonylContact C-O 3.41Å; F331-S340 WeakPolarHBondContact CA-O 3.34Å; I332-S340 PolarHBondContact N-O 3.42Å; I332-S340 PolarHBondContact O-N 2.97Å; S340-I342 PolarHBondContact O-N 2.93Å; S340-S362 PolarHBondContact OG-OG 3.5Å; S340-Q364 VanDerWaalsContact CB-OE1 3.27Å; S340-Q364 PolarHBondContact OG-OE1 2.77Å; S340-Q365 PolarHBondContact OG-NE2 2.99Å
341	E	98	Very high	97.3	Very high	32 Å²	32	32.1 Å²	32.1	15%	0.15	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	98.7	168.4	-174.9	169.3	-146	0	0	108.3	P163 R329 I330 F331 P344	P163-E341 WeakPolarHBondContact CD-O 3.49Å; P163-E341 WeakPolarHBondContact CG-O 3.43Å; R329-E341 IonicContact CZ-OE1 3.86Å; R329-E341 IonicContact NE-OE1 3.68Å; R329-E341 PolarHBondContact NE-OE1 3.05Å; R329-E341 IonicContact NH2-OE1 3.79Å; R329-E341 PolarHBondContact NH2-OE1 3.2Å; R329-E341 IonicContact NH2-OE2 3.76Å; I330-E341 CarbonylContact O-C 3.54Å; F331-E341 HydrophobicContact CD1-CB 3.65Å; F331-E341 HydrophobicContact CD1-CG 4.02Å; F331-E341 HydrophobicContact CE1-CB 3.56Å; F331-E341 HydrophobicContact CE1-CG 3.63Å; F331-E341 HydrophobicContact CZ-CG 4.25Å; E341-P344 HydrophobicContact CG-CB 4.33Å
342	I	97.9	Very high	97.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-22.7	-176.6	58.5	171.6	0	0	0	112.5	S133 P163 V316 L318 I330 I332 S340 F360 L376	S133-I342 WeakPolarHBondContact CB-O 3.19Å; S133-I342 PolarHBondContact OG-O 2.87Å; P163-I342 HydrophobicContact CG-CB 4.41Å; P163-I342 HydrophobicContact CG-CG2 3.9Å; V316-I342 HydrophobicContact CB-CD1 3.96Å; V316-I342 HydrophobicContact CG1-CD1 3.9Å; V316-I342 HydrophobicContact CG2-CD1 4.3Å; L318-I342 HydrophobicContact CD1-CD1 4.24Å; I330-I342 HydrophobicContact CB-CD1 4.3Å; I330-I342 HydrophobicContact CB-CG1 3.84Å; I330-I342 HydrophobicContact CG2-CD1 3.66Å; I330-I342 HydrophobicContact CG2-CG1 3.72Å; I330-I342 WeakPolarHBondContact O-CG1 3.21Å; I330-I342 PolarHBondContact O-N 3.11Å; I332-I342 HydrophobicContact CB-CG2 4.5Å; I332-I342 HydrophobicContact CG2-CG2 3.69Å; S340-I342 PolarHBondContact O-N 2.93Å; I342-F360 HydrophobicContact CB-CB 4.1Å; I342-F360 HydrophobicContact CB-CD1 4.46Å; I342-F360 HydrophobicContact CB-CG 4.41Å; I342-F360 HydrophobicContact CD1-CB 3.97Å; I342-F360 HydrophobicContact CD1-CD2 4.33Å; I342-F360 HydrophobicContact CD1-CG 4.13Å; I342-F360 HydrophobicContact CG1-CB 4.48Å; I342-F360 HydrophobicContact CG1-CG 4.5Å; I342-F360 WeakPolarHBondContact O-CD1 3.41Å; I342-L376 HydrophobicContact CD1-CD1 4.28Å
343	L	97.7	Very high	96.7	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	112.4	169	-177.9	65.9	0	0	0	109.7	F92 R329 I330 F355 F360	F92-L343 HydrophobicContact CZ-CD1 4.03Å; F92-L343 HydrophobicContact CZ-CD2 4.45Å; R329-L343 CarbonylContact C-O 3.58Å; R329-L343 WeakPolarHBondContact CA-O 3.49Å; I330-L343 HydrophobicContact CB-CB 4.02Å; I330-L343 HydrophobicContact CD1-CB 4.08Å; I330-L343 HydrophobicContact CD1-CD2 3.78Å; I330-L343 HydrophobicContact CG1-CB 3.94Å; I330-L343 HydrophobicContact CG1-CD2 4.13Å; I330-L343 PolarHBondContact N-O 3.41Å; I330-L343 PolarHBondContact O-N 3.1Å; L343-F355 HydrophobicContact CD2-CE1 3.75Å; L343-F355 HydrophobicContact CD2-CE2 4.15Å; L343-F355 HydrophobicContact CD2-CZ 3.25Å; L343-F360 HydrophobicContact CB-CE1 3.93Å; L343-F360 HydrophobicContact CB-CZ 4.34Å; L343-F360 HydrophobicContact CD1-CE1 4.2Å; L343-F360 HydrophobicContact CD2-CE1 4.35Å; L343-F360 HydrophobicContact CD2-CZ 4.13Å; L343-F360 HydrophobicContact CG-CE1 4.39Å
344	P	96.6	Very high	96.3	Very high	18 Å²	18	38.7 Å²	38.7	12%	0.117	22%	0.22	C	C	.	.			trans	-76.7	166.5	167.3	34	-34.9	0	0	0	110.9	S131 E341 R346	S131-P344 VanDerWaalsContact OG-CD 3.3Å; S131-P344 WeakPolarHBondContact OG-CD 3.11Å; E341-P344 HydrophobicContact CG-CB 4.33Å; P344-R346 PolarHBondContact O-N 3.41Å
345	V	96.4	Very high	95.9	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	22%	0.221	C	C	.	.			trans	-59.3	133.7	170.5	173.4	0	0	0	0	109.6	G326 R329 P347 R382	G326-V345 VanDerWaalsContact O-CG1 3.31Å; G326-V345 WeakPolarHBondContact O-CG1 3.36Å; R329-V345 HydrophobicContact CB-CG2 4.11Å; R329-V345 HydrophobicContact CG-CG2 4.49Å; V345-P347 HydrophobicContact CG1-CG 4.42Å; V345-R382 HydrophobicContact CG1-CG 4.05Å; V345-R382 HydrophobicContact CG2-CG 4.46Å
346	R	96.3	Very high	95.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.008	25%	0.245	C	C	.	.			trans	-118	96.6	174.9	-63.4	-156.7	-52	165.8	2.9	110.6	K90 T91 D130 C134 G326 P344 H348 D349	K90-R346 PolarHBondContact O-NH2 3.18Å; T91-R346 PolarHBondContact O-NH1 2.94Å; T91-R346 PolarHBondContact O-NH2 2.68Å; D130-R346 IonicContact OD1-CZ 2.77Å; D130-R346 IonicContact OD1-NH1 2.67Å; D130-R346 PolarHBondContact OD1-NH1 3.48Å; C134-R346 PolarHBondContact SG-NH1 3.12Å; C134-R346 VanDerWaalsContact SG-NH1 3.44Å; G326-R346 VanDerWaalsContact CA-O 3.22Å; G326-R346 WeakPolarHBondContact CA-O 3.34Å; G326-R346 PolarHBondContact O-N 3.09Å; P344-R346 PolarHBondContact O-N 3.41Å; R346-H348 PolarHBondContact O-N 2.67Å; R346-H348 VanDerWaalsContact O-N 3.09Å; R346-D349 HydrophobicContact CB-CB 3.97Å; R346-D349 IonicContact CZ-OD2 3.57Å; R346-D349 IonicContact NE-OD2 2.81Å; R346-D349 IonicContact NH2-OD2 2.62Å; R346-D349 PolarHBondContact NH2-OD2 2.77Å; R346-D349 PolarHBondContact O-N 3.09Å; R346-D349 VanDerWaalsContact O-N 3.09Å
347	P	94.7	Very high	95.3	Very high	34 Å²	34	47.7 Å²	47.7	22%	0.221	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.6	-170.7	-26	36.4	0	0	0	115.6	R324 V345	R324-P347 PolarHBondContact NH2-O 3.2Å; V345-P347 HydrophobicContact CG1-CG 4.42Å
348	H	95.6	Very high	95.2	Very high	96 Å²	96	47 Å²	47	44%	0.444	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-13	179.3	-62.4	-75.2	0	0	0	113.1	H128 R346 D350	H128-H348 PolarHBondContact O-CD2 3.47Å; R346-H348 PolarHBondContact O-N 2.67Å; R346-H348 VanDerWaalsContact O-N 3.09Å; H348-D350 PolarHBondContact O-N 3.34Å
349	D	96.7	Very high	95.1	Very high	2 Å²	2	49 Å²	49	1%	0.011	25%	0.249	C	C	.	.			trans	-82.4	94	178.5	-171.8	1.2	0	0	0	111.2	G89 K90 R325 G326 R346 S351	G89-D349 PolarHBondContact O-N 3.33Å; K90-D349 HydrophobicContact CB-CB 4.08Å; R325-D349 WeakPolarHBondContact CG-OD2 3.47Å; R325-D349 IonicContact CZ-OD1 3.41Å; R325-D349 IonicContact CZ-OD2 3.92Å; R325-D349 IonicContact NE-OD1 2.81Å; R325-D349 PolarHBondContact NE-OD1 3.48Å; R325-D349 IonicContact NE-OD2 3.27Å; R325-D349 PolarHBondContact NE-OD2 3.28Å; R325-D349 IonicContact NH2-OD1 3.81Å; R325-D349 PolarHBondContact NH2-OD1 3.27Å; R325-D349 IonicContact NH2-OD2 2.65Å; G326-D349 VanDerWaalsContact CA-O 3.27Å; G326-D349 WeakPolarHBondContact CA-O 3.21Å; G326-D349 PolarHBondContact N-O 3.11Å; R346-D349 HydrophobicContact CB-CB 3.97Å; R346-D349 IonicContact CZ-OD2 3.57Å; R346-D349 IonicContact NE-OD2 2.81Å; R346-D349 IonicContact NH2-OD2 2.62Å; R346-D349 PolarHBondContact NH2-OD2 2.77Å; R346-D349 PolarHBondContact O-N 3.09Å; R346-D349 VanDerWaalsContact O-N 3.09Å; D349-S351 WeakPolarHBondContact OD1-CB 3.31Å; D349-S351 PolarHBondContact OD1-N 2.89Å
350	D	95.8	Very high	95.1	Very high	117 Å²	117	44.1 Å²	44.1	63%	0.626	23%	0.231	S	C	*	.			trans	-94	7.8	175.7	66.6	-11.8	0	0	0	114.1	H348	H348-D350 PolarHBondContact O-N 3.34Å
351	S	96.5	Very high	95.1	Very high	25 Å²	25	44.3 Å²	44.3	18%	0.175	23%	0.232	C	C	.	.			trans	-59.8	140.7	-179	179.1	0	0	0	0	112.2	R324 R325 D349 S353	R324-S351 CarbonylContact C-O 3.59Å; R324-S351 WeakPolarHBondContact CA-O 3.43Å; R325-S351 WeakPolarHBondContact CB-O 3.31Å; R325-S351 PolarHBondContact N-O 3.2Å; D349-S351 WeakPolarHBondContact OD1-CB 3.31Å; D349-S351 PolarHBondContact OD1-N 2.89Å; S351-S353 WeakPolarHBondContact OG-CB 2.75Å; S351-S353 PolarHBondContact OG-N 3.35Å; S351-S353 VanDerWaalsContact OG-N 3.11Å; S351-S353 PolarHBondContact OG-OG 3.2Å
352	N	94.7	Very high	95.1	Very high	122 Å²	122	42.9 Å²	42.9	65%	0.652	23%	0.225	S	C	*	.	S	Bend	trans	-99	5	172.1	66	-1.5	0	0	0	113	F322 G354	F322-N352 CarbonylContact O-C 3.38Å; F322-N352 WeakPolarHBondContact O-CA 3.49Å; N352-G354 VanDerWaalsContact C-N 3.31Å; N352-G354 PolarHBondContact O-N 3.15Å
353	S	89.4	Confident	95.2	Very high	76 Å²	76	43 Å²	43	53%	0.531	23%	0.225	S	C	.	.			trans	-74.9	-21.3	-175.9	-51.1	0	0	0	0	113.1	S351	S351-S353 WeakPolarHBondContact OG-CB 2.75Å; S351-S353 PolarHBondContact OG-N 3.35Å; S351-S353 VanDerWaalsContact OG-N 3.11Å; S351-S353 PolarHBondContact OG-OG 3.2Å
354	G	90.5	Very high	95.2	Very high	3 Å²	3	43 Å²	43	3%	0.031	23%	0.226	C	C	.	.			trans	63.9	-141.7	-174.2	0	0	0	0	0	112.7	I320 R325 N352	I320-G354 CarbonylContact O-C 3.53Å; I320-G354 WeakPolarHBondContact O-CA 3.47Å; R325-G354 WeakPolarHBondContact CD-O 3.45Å; R325-G354 PolarHBondContact NH1-O 3.2Å; N352-G354 VanDerWaalsContact C-N 3.31Å; N352-G354 PolarHBondContact O-N 3.15Å
355	F	90.8	Very high	95.3	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.4	174.9	-40.2	-68.5	0	0	0	109.5	F92 S319 I320 R325 L328 I330 L343 W358 F360	F92-F355 AromaticContact CE1-CD1 3.89Å; F92-F355 HydrophobicContact CE1-CD1 3.89Å; F92-F355 AromaticContact CE1-CE1 3.89Å; F92-F355 HydrophobicContact CE1-CE1 3.89Å; F92-F355 AromaticContact CE2-CE1 3.96Å; F92-F355 HydrophobicContact CE2-CE1 3.96Å; F92-F355 AromaticContact CZ-CD1 3.94Å; F92-F355 HydrophobicContact CZ-CD1 3.94Å; F92-F355 AromaticContact CZ-CE1 3.44Å; F92-F355 HydrophobicContact CZ-CE1 3.44Å; F92-F355 VanDerWaalsContact CZ-CE1 3.44Å; S319-F355 CarbonylContact C-O 3.6Å; S319-F355 WeakPolarHBondContact CA-O 3.36Å; I320-F355 HydrophobicContact CB-CD2 3.76Å; I320-F355 HydrophobicContact CB-CE2 4.33Å; I320-F355 HydrophobicContact CD1-CD2 3.91Å; I320-F355 HydrophobicContact CD1-CE2 4.08Å; I320-F355 HydrophobicContact CG1-CD2 3.9Å; I320-F355 HydrophobicContact CG1-CE2 4.49Å; I320-F355 PolarHBondContact N-O 3.29Å; I320-F355 PolarHBondContact O-N 3.34Å; R325-F355 VanDerWaalsContact CD-CE1 3.45Å; R325-F355 HydrophobicContact CG-CD1 4.3Å; R325-F355 HydrophobicContact CG-CE1 3.46Å; R325-F355 VanDerWaalsContact CG-CE1 3.46Å; R325-F355 HydrophobicContact CG-CZ 3.6Å; L328-F355 HydrophobicContact CD1-CE2 3.48Å; L328-F355 VanDerWaalsContact CD1-CE2 3.48Å; L328-F355 HydrophobicContact CD1-CZ 3.9Å; I330-F355 HydrophobicContact CD1-CD2 4.44Å; I330-F355 HydrophobicContact CD1-CE2 3.71Å; I330-F355 HydrophobicContact CD1-CZ 4.17Å; L343-F355 HydrophobicContact CD2-CE1 3.75Å; L343-F355 HydrophobicContact CD2-CE2 4.15Å; L343-F355 HydrophobicContact CD2-CZ 3.25Å; F355-W358 HydrophobicContact CB-CB 4.1Å; F355-F360 HydrophobicContact CD1-CE2 4.48Å; F355-F360 HydrophobicContact CD1-CZ 4.06Å; F355-F360 HydrophobicContact CE1-CZ 4.02Å; F355-F360 HydrophobicContact CG-CE2 4.44Å; F355-F360 HydrophobicContact CG-CZ 4.44Å; F355-F360 HydrophobicContact CZ-CZ 4.38Å
356	E	91.1	Very high	95.4	Very high	170 Å²	170	42.2 Å²	42.2	79%	0.794	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	105.7	170.4	-174.3	-179.6	176.7	0	0	108	W358	E356-W358 PolarHBondContact O-N 2.88Å; E356-W358 VanDerWaalsContact O-N 3.12Å
357	K	91.8	Very high	95.4	Very high	131 Å²	131	42.4 Å²	42.4	57%	0.57	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	46.4	42.1	-178.1	-60.7	-174.7	176.8	-179.3	0	114	I317 L318 S319 P359	I317-K357 HydrophobicContact CG2-CB 3.95Å; L318-K357 WeakPolarHBondContact O-CA 3.26Å; L318-K357 PolarHBondContact O-N 3.12Å; S319-K357 PolarHBondContact OG-N 2.89Å; K357-P359 WeakPolarHBondContact O-CD 3.05Å
358	W	95.5	Very high	95.5	Very high	40 Å²	40	40.8 Å²	40.8	15%	0.152	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.3	179.5	-174.1	-96.1	0	0	0	110.9	F92 D93 S133 C134 I317 L318 F355 E356 F360	F92-W358 AromaticContact CD1-CD2 3.6Å; F92-W358 HydrophobicContact CD1-CD2 3.6Å; F92-W358 AromaticContact CD1-CE2 3.51Å; F92-W358 AromaticContact CD1-CE3 3.93Å; F92-W358 HydrophobicContact CD1-CE3 3.93Å; F92-W358 HydrophobicContact CD1-CG 4.1Å; F92-W358 HydrophobicContact CD1-CH2 4.06Å; F92-W358 AromaticContact CD1-CZ2 3.76Å; F92-W358 HydrophobicContact CD1-CZ2 3.76Å; F92-W358 HydrophobicContact CD1-CZ3 4.14Å; F92-W358 AromaticContact CD1-NE1 3.91Å; F92-W358 AromaticContact CE1-CD1 3.78Å; F92-W358 AromaticContact CE1-CD2 3.91Å; F92-W358 HydrophobicContact CE1-CD2 3.91Å; F92-W358 AromaticContact CE1-CE2 3.68Å; F92-W358 AromaticContact CE1-CG 3.97Å; F92-W358 HydrophobicContact CE1-CG 3.97Å; F92-W358 HydrophobicContact CE1-CZ2 4.25Å; F92-W358 AromaticContact CE1-NE1 3.57Å; D93-W358 WeakPolarHBondContact O-CH2 3.46Å; S133-W358 PolarHBondContact O-NE1 2.96Å; C134-W358 WeakPolarHBondContact O-CZ2 3.31Å; I317-W358 WeakPolarHBondContact CA-O 3.34Å; L318-W358 PolarHBondContact N-O 3.34Å; L318-W358 VanDerWaalsContact N-O 3.11Å; L318-W358 PolarHBondContact O-N 3.08Å; F355-W358 HydrophobicContact CB-CB 4.1Å; E356-W358 PolarHBondContact O-N 2.88Å; E356-W358 VanDerWaalsContact O-N 3.12Å; W358-F360 HydrophobicContact CB-CE2 4.21Å; W358-F360 AromaticContact CD1-CD1 3.74Å; W358-F360 AromaticContact CD1-CD2 3.69Å; W358-F360 AromaticContact CD1-CE1 3.56Å; W358-F360 AromaticContact CD1-CE2 3.52Å; W358-F360 AromaticContact CD1-CG 3.79Å; W358-F360 AromaticContact CD1-CZ 3.45Å; W358-F360 VanDerWaalsContact CD1-CZ 3.45Å; W358-F360 HydrophobicContact CG-CE2 4.22Å; W358-F360 HydrophobicContact CG-CZ 4.28Å; W358-F360 AromaticContact NE1-CD1 3.97Å; W358-F360 AromaticContact NE1-CE1 3.85Å; W358-F360 PolarHBondContact O-N 2.68Å
359	P	95.2	Very high	95.6	Very high	44 Å²	44	37.1 Å²	37.1	29%	0.286	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	78.8	-174.8	36.2	-35	0	0	0	111.8	I317 K357 M361	I317-P359 HydrophobicContact CG1-CB 4.19Å; K357-P359 WeakPolarHBondContact O-CD 3.05Å; P359-M361 PolarHBondContact O-N 3.48Å
360	F	98	Very high	95.6	Very high	1 Å²	1	37 Å²	37	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	139.3	171.8	-65.8	-80.4	0	0	0	110.4	F92 Q315 V316 L318 I330 I342 L343 F355 W358	F92-F360 HydrophobicContact CE1-CE1 4.11Å; F92-F360 HydrophobicContact CE1-CZ 4.02Å; F92-F360 HydrophobicContact CZ-CE1 4.25Å; F92-F360 HydrophobicContact CZ-CZ 4.21Å; Q315-F360 CarbonylContact C-O 3.58Å; Q315-F360 WeakPolarHBondContact CA-O 3.45Å; V316-F360 HydrophobicContact CB-CB 4.41Å; V316-F360 PolarHBondContact N-O 3.26Å; V316-F360 WeakPolarHBondContact O-CB 3.45Å; V316-F360 PolarHBondContact O-N 2.9Å; L318-F360 HydrophobicContact CB-CD2 4.38Å; L318-F360 HydrophobicContact CB-CE2 4.2Å; L318-F360 HydrophobicContact CD1-CD2 3.72Å; L318-F360 HydrophobicContact CD1-CE2 3.72Å; L318-F360 HydrophobicContact CG-CD2 4.02Å; L318-F360 HydrophobicContact CG-CE2 4.2Å; I330-F360 HydrophobicContact CD1-CE2 4.4Å; I330-F360 HydrophobicContact CD1-CZ 4.41Å; I342-F360 HydrophobicContact CB-CB 4.1Å; I342-F360 HydrophobicContact CB-CD1 4.46Å; I342-F360 HydrophobicContact CB-CG 4.41Å; I342-F360 HydrophobicContact CD1-CB 3.97Å; I342-F360 HydrophobicContact CD1-CD2 4.33Å; I342-F360 HydrophobicContact CD1-CG 4.13Å; I342-F360 HydrophobicContact CG1-CB 4.48Å; I342-F360 HydrophobicContact CG1-CG 4.5Å; I342-F360 WeakPolarHBondContact O-CD1 3.41Å; L343-F360 HydrophobicContact CB-CE1 3.93Å; L343-F360 HydrophobicContact CB-CZ 4.34Å; L343-F360 HydrophobicContact CD1-CE1 4.2Å; L343-F360 HydrophobicContact CD2-CE1 4.35Å; L343-F360 HydrophobicContact CD2-CZ 4.13Å; L343-F360 HydrophobicContact CG-CE1 4.39Å; F355-F360 HydrophobicContact CD1-CE2 4.48Å; F355-F360 HydrophobicContact CD1-CZ 4.06Å; F355-F360 HydrophobicContact CE1-CZ 4.02Å; F355-F360 HydrophobicContact CG-CE2 4.44Å; F355-F360 HydrophobicContact CG-CZ 4.44Å; F355-F360 HydrophobicContact CZ-CZ 4.38Å; W358-F360 HydrophobicContact CB-CE2 4.21Å; W358-F360 AromaticContact CD1-CD1 3.74Å; W358-F360 AromaticContact CD1-CD2 3.69Å; W358-F360 AromaticContact CD1-CE1 3.56Å; W358-F360 AromaticContact CD1-CE2 3.52Å; W358-F360 AromaticContact CD1-CG 3.79Å; W358-F360 AromaticContact CD1-CZ 3.45Å; W358-F360 VanDerWaalsContact CD1-CZ 3.45Å; W358-F360 HydrophobicContact CG-CE2 4.22Å; W358-F360 HydrophobicContact CG-CZ 4.28Å; W358-F360 AromaticContact NE1-CD1 3.97Å; W358-F360 AromaticContact NE1-CE1 3.85Å; W358-F360 PolarHBondContact O-N 2.68Å
361	M	98.3	Very high	95.7	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.2	-175.5	-170.2	-85.5	-83.2	0	0	111.8	T139 I141 S164 V314 Q315 P359 V363	T139-M361 WeakPolarHBondContact O-CB 3.49Å; T139-M361 WeakPolarHBondContact O-CE 3.34Å; T139-M361 WeakPolarHBondContact O-CG 3.29Å; I141-M361 HydrophobicContact CG2-CG 4.16Å; S164-M361 PolarHBondContact N-O 3.22Å; V314-M361 CarbonylContact O-C 3.57Å; V314-M361 WeakPolarHBondContact O-CA 3.09Å; Q315-M361 HydrophobicContact CG-CB 4.28Å; Q315-M361 HydrophobicContact CG-CG 4.12Å; P359-M361 PolarHBondContact O-N 3.48Å; M361-V363 HydrophobicContact CE-CG1 4.23Å; M361-V363 HydrophobicContact SD-CG1 3.69Å
362	S	98.6	Very high	95.7	Very high	2 Å²	2	35 Å²	35	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.4	172.6	178.6	0	0	0	0	111.1	P163 V314 S340 Q364 Q365	P163-S362 WeakPolarHBondContact O-CA 3.32Å; V314-S362 PolarHBondContact N-O 3.07Å; V314-S362 PolarHBondContact O-N 3.08Å; S340-S362 PolarHBondContact OG-OG 3.5Å; S362-Q364 PolarHBondContact OG-N 3.11Å; S362-Q364 VanDerWaalsContact OG-N 3.15Å; S362-Q365 PolarHBondContact OG-OE1 2.66Å
363	V	98.5	Very high	95.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	18%	0.175	C	C	.	.			trans	-103.7	0.5	167.4	-65.1	0	0	0	0	112.3	P163 T165 L166 Y251 M361 Q365 W366	P163-V363 VanDerWaalsContact O-CG2 3.24Å; P163-V363 WeakPolarHBondContact O-CG2 3.35Å; P163-V363 PolarHBondContact O-N 3.07Å; T165-V363 WeakPolarHBondContact O-CG2 3.36Å; L166-V363 HydrophobicContact CD1-CB 4.13Å; L166-V363 HydrophobicContact CD1-CG1 3.87Å; L166-V363 HydrophobicContact CD1-CG2 4.21Å; Y251-V363 HydrophobicContact CE2-CG2 4.38Å; Y251-V363 PolarHBondContact OH-O 3.28Å; M361-V363 HydrophobicContact CE-CG1 4.23Å; M361-V363 HydrophobicContact SD-CG1 3.69Å; V363-Q365 VanDerWaalsContact C-N 3.25Å; V363-Q365 PolarHBondContact O-N 3.17Å; V363-W366 HydrophobicContact CB-CE3 3.99Å; V363-W366 HydrophobicContact CB-CZ3 4.35Å; V363-W366 HydrophobicContact CG1-CE3 4.15Å; V363-W366 HydrophobicContact CG1-CZ3 4.01Å; V363-W366 WeakPolarHBondContact O-CB 3.44Å; V363-W366 PolarHBondContact O-N 3.45Å; V363-W366 VanDerWaalsContact O-N 3.17Å
364	Q	98.7	Very high	96.3	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.023	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.1	-170.2	-60.4	-171.2	-20.8	0	0	113.6	P163 N239 V245 S247 Y251 T338 S340 S362 W366	P163-Q364 HydrophobicContact CB-CG 3.89Å; N239-Q364 WeakPolarHBondContact CB-O 3.07Å; N239-Q364 PolarHBondContact ND2-O 3.44Å; V245-Q364 HydrophobicContact CG1-CB 3.97Å; V245-Q364 HydrophobicContact CG1-CG 4.2Å; V245-Q364 HydrophobicContact CG2-CB 4.23Å; V245-Q364 HydrophobicContact CG2-CG 3.83Å; S247-Q364 PolarHBondContact OG-NE2 3.32Å; Y251-Q364 PolarHBondContact OH-O 2.91Å; T338-Q364 HydrophobicContact CG2-CB 4.25Å; S340-Q364 VanDerWaalsContact CB-OE1 3.27Å; S340-Q364 PolarHBondContact OG-OE1 2.77Å; S362-Q364 PolarHBondContact OG-N 3.11Å; S362-Q364 VanDerWaalsContact OG-N 3.15Å; Q364-W366 VanDerWaalsContact C-N 3.27Å; Q364-W366 PolarHBondContact O-N 3.16Å
365	Q	98.3	Very high	96.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	11.1	177.7	-63.4	77.6	11.9	0	0	113	L311 V314 T338 S340 S362 V363 G367 E368 W374	L311-Q365 WeakPolarHBondContact CB-O 3.13Å; L311-Q365 HydrophobicContact CD1-CB 3.84Å; V314-Q365 HydrophobicContact CG2-CB 4.28Å; T338-Q365 HydrophobicContact CG2-CG 4.08Å; S340-Q365 PolarHBondContact OG-NE2 2.99Å; S362-Q365 PolarHBondContact OG-OE1 2.66Å; V363-Q365 VanDerWaalsContact C-N 3.25Å; V363-Q365 PolarHBondContact O-N 3.17Å; Q365-G367 PolarHBondContact O-N 2.9Å; Q365-G367 VanDerWaalsContact O-N 3.11Å; Q365-E368 HydrophobicContact CB-CB 4.48Å; Q365-E368 HydrophobicContact CB-CG 4.48Å; Q365-E368 VanDerWaalsContact O-CB 3.27Å; Q365-E368 WeakPolarHBondContact O-CB 3.17Å; Q365-E368 WeakPolarHBondContact O-CG 3.21Å; Q365-E368 PolarHBondContact O-N 2.86Å; Q365-W374 HydrophobicContact CB-CH2 4.44Å; Q365-W374 HydrophobicContact CG-CH2 3.93Å; Q365-W374 HydrophobicContact CG-CZ3 4.28Å
366	W	97.9	Very high	97	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.008	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	121.4	-175	-155.4	-58.9	0	0	0	112.5	L166 Q218 H219 V222 N239 V241 R243 Y251 E312 H313 V363 Q364	L166-W366 HydrophobicContact CD1-CE3 4.14Å; L166-W366 HydrophobicContact CD1-CH2 4.46Å; L166-W366 HydrophobicContact CD1-CZ3 3.67Å; Q218-W366 HydrophobicContact CB-CH2 3.61Å; Q218-W366 HydrophobicContact CB-CZ2 4.21Å; Q218-W366 HydrophobicContact CB-CZ3 4.4Å; H219-W366 AromaticContact CD2-CZ2 3.4Å; H219-W366 WeakPolarHBondContact CD2-CZ2 3.43Å; H219-W366 AromaticContact CD2-NE1 3.99Å; H219-W366 AromaticContact CE1-NE1 3.54Å; H219-W366 AromaticContact ND1-NE1 3.91Å; H219-W366 AromaticContact NE2-CE2 3.84Å; H219-W366 AromaticContact NE2-CZ2 3.49Å; H219-W366 WeakPolarHBondContact NE2-CZ2 3.36Å; H219-W366 AromaticContact NE2-NE1 3.57Å; V222-W366 HydrophobicContact CG1-CB 4.19Å; V222-W366 HydrophobicContact CG1-CD2 4.32Å; V222-W366 HydrophobicContact CG1-CG 3.93Å; V222-W366 HydrophobicContact CG2-CD2 3.8Å; V222-W366 HydrophobicContact CG2-CE3 3.82Å; V222-W366 HydrophobicContact CG2-CG 4.27Å; V222-W366 HydrophobicContact CG2-CZ3 4.23Å; N239-W366 PolarHBondContact ND2-O 2.72Å; V241-W366 WeakPolarHBondContact CG2-O 3.3Å; R243-W366 PolarHBondContact NH1-O 3.19Å; Y251-W366 HydrophobicContact CE2-CB 4.37Å; Y251-W366 WeakPolarHBondContact OH-CB 3.32Å; E312-W366 HydrophobicContact CB-CH2 4.03Å; E312-W366 HydrophobicContact CB-CZ2 3.78Å; E312-W366 HydrophobicContact CB-CZ3 4.48Å; E312-W366 HydrophobicContact CG-CH2 4.47Å; E312-W366 HydrophobicContact CG-CZ2 3.78Å; H313-W366 AromaticContact CE1-CH2 3.9Å; H313-W366 AromaticContact NE2-CH2 3.76Å; H313-W366 AromaticContact NE2-CZ3 3.75Å; V363-W366 HydrophobicContact CB-CE3 3.99Å; V363-W366 HydrophobicContact CB-CZ3 4.35Å; V363-W366 HydrophobicContact CG1-CE3 4.15Å; V363-W366 HydrophobicContact CG1-CZ3 4.01Å; V363-W366 WeakPolarHBondContact O-CB 3.44Å; V363-W366 PolarHBondContact O-N 3.45Å; V363-W366 VanDerWaalsContact O-N 3.17Å; Q364-W366 VanDerWaalsContact C-N 3.27Å; Q364-W366 PolarHBondContact O-N 3.16Å
367	G	96.2	Very high	97.4	Very high	7 Å²	7	22.1 Å²	22.1	7%	0.072	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-10.7	179.7	0	0	0	0	0	114.7	L311 Q365 Y411	L311-G367 PolarHBondContact O-N 3.48Å; Q365-G367 PolarHBondContact O-N 2.9Å; Q365-G367 VanDerWaalsContact O-N 3.11Å; G367-Y411 VanDerWaalsContact O-CE2 3.28Å; G367-Y411 WeakPolarHBondContact O-CE2 3.45Å; G367-Y411 PolarHBondContact O-OH 3.13Å
368	E	97.7	Very high	97.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.			trans	-67.1	152.6	179.4	-70.2	176.9	-157	0	0	112.5	N239 G240 V241 L311 S334 M336 T338 Q365	N239-E368 WeakPolarHBondContact CB-OE1 3.41Å; G240-E368 PolarHBondContact N-OE1 3.5Å; V241-E368 HydrophobicContact CG1-CB 4.42Å; V241-E368 HydrophobicContact CG1-CG 3.85Å; L311-E368 WeakPolarHBondContact CB-O 3.46Å; L311-E368 HydrophobicContact CD1-CB 4.24Å; L311-E368 WeakPolarHBondContact CG-O 3.43Å; L311-E368 PolarHBondContact N-O 3.01Å; S334-E368 WeakPolarHBondContact CB-OE2 3.47Å; S334-E368 PolarHBondContact OG-OE2 3.43Å; S334-E368 VanDerWaalsContact OG-OE2 3.05Å; M336-E368 HydrophobicContact CB-CG 4.36Å; M336-E368 HydrophobicContact CG-CB 4.41Å; M336-E368 HydrophobicContact CG-CG 4.49Å; M336-E368 HydrophobicContact SD-CB 3.57Å; M336-E368 VanDerWaalsContact SD-CB 3.57Å; M336-E368 HydrophobicContact SD-CG 3.71Å; T338-E368 VanDerWaalsContact CB-OE1 3.27Å; T338-E368 WeakPolarHBondContact CB-OE1 3.44Å; T338-E368 PolarHBondContact OG1-OE1 2.74Å; Q365-E368 HydrophobicContact CB-CB 4.48Å; Q365-E368 HydrophobicContact CB-CG 4.48Å; Q365-E368 VanDerWaalsContact O-CB 3.27Å; Q365-E368 WeakPolarHBondContact O-CB 3.17Å; Q365-E368 WeakPolarHBondContact O-CG 3.21Å; Q365-E368 PolarHBondContact O-N 2.86Å
369	N	96.9	Very high	97.7	Very high	19 Å²	19	14.3 Å²	14.3	10%	0.102	9%	0.087	C	C	.	.			trans	-77.4	119.3	165	-177	-10.4	0	0	0	108.8	R309 M336 E371 Y411	R309-N369 VanDerWaalsContact O-CA 3.3Å; R309-N369 WeakPolarHBondContact O-CA 2.9Å; M336-N369 HydrophobicContact SD-CB 4.37Å; M336-N369 PolarHBondContact SD-N 2.8Å; M336-N369 VanDerWaalsContact SD-N 3.39Å; N369-E371 VanDerWaalsContact C-N 3.25Å; N369-E371 PolarHBondContact O-N 3.04Å; N369-E371 VanDerWaalsContact OD1-CB 3.27Å; N369-E371 WeakPolarHBondContact OD1-CB 3.41Å; N369-E371 PolarHBondContact OD1-N 3Å; N369-Y411 HydrophobicContact CB-CD2 4.49Å
370	P	97	Very high	97.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.073	C	C	.	.			trans	-77.1	-9.3	-176.7	32	-36	0	0	0	113.9	V299 V308 L311 P335 G372 W374 L397	V299-P370 WeakPolarHBondContact CG2-O 3.26Å; V308-P370 HydrophobicContact CB-CG 4.44Å; V308-P370 HydrophobicContact CG1-CG 4.16Å; V308-P370 VanDerWaalsContact O-CG 3.24Å; V308-P370 WeakPolarHBondContact O-CG 3.43Å; L311-P370 HydrophobicContact CD1-CB 3.91Å; L311-P370 HydrophobicContact CD2-CB 4.07Å; L311-P370 HydrophobicContact CD2-CG 4.37Å; L311-P370 HydrophobicContact CG-CB 3.94Å; L311-P370 HydrophobicContact CG-CG 4.25Å; P335-P370 WeakPolarHBondContact CG-O 3.5Å; P370-G372 PolarHBondContact O-N 3.43Å; P370-W374 HydrophobicContact CB-CZ2 4.17Å; P370-W374 PolarHBondContact O-NE1 3.06Å; P370-L397 HydrophobicContact CB-CD1 3.63Å; P370-L397 HydrophobicContact CB-CD2 4.25Å; P370-L397 HydrophobicContact CB-CG 4.47Å; P370-L397 HydrophobicContact CG-CD1 4.05Å
371	E	96.9	Very high	97.2	Very high	78 Å²	78	15.4 Å²	15.4	36%	0.364	9%	0.093	S	C	.	.			trans	-65.5	128.8	-175.2	-172.9	171.4	167.3	0	0	111.7	R307 P335 N369	R307-E371 IonicContact NH2-OE2 3.19Å; R307-E371 PolarHBondContact NH2-OE2 2.88Å; P335-E371 WeakPolarHBondContact CB-O 3.14Å; N369-E371 VanDerWaalsContact C-N 3.25Å; N369-E371 PolarHBondContact O-N 3.04Å; N369-E371 VanDerWaalsContact OD1-CB 3.27Å; N369-E371 WeakPolarHBondContact OD1-CB 3.41Å; N369-E371 PolarHBondContact OD1-N 3Å
372	G	97.4	Very high	96.6	Very high	22 Å²	22	18.9 Å²	18.9	23%	0.227	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.9	-152.7	179.9	0	0	0	0	0	112.9	K298 V299 P370	K298-G372 WeakPolarHBondContact CA-O 3.31Å; V299-G372 PolarHBondContact N-O 3.12Å; V299-G372 PolarHBondContact O-N 3.38Å; P370-G372 PolarHBondContact O-N 3.43Å
373	T	98.3	Very high	95.9	Very high	69 Å²	69	19.7 Å²	19.7	42%	0.423	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.3	-178.1	-56.5	0	0	0	0	110.8	V375	T373-V375 HydrophobicContact CG2-CG2 4.26Å
374	W	98.4	Very high	95.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.1	166.9	-70.3	75.1	0	0	0	109.9	S296 L297 V299 L311 V314 I332 L333 P335 Q365 P370 W393 I395 L397	S296-W374 CarbonylContact C-O 3.5Å; S296-W374 WeakPolarHBondContact CA-O 3.33Å; L297-W374 PolarHBondContact N-O 2.79Å; L297-W374 PolarHBondContact O-N 2.7Å; V299-W374 VanDerWaalsContact CG2-NE1 3.29Å; L311-W374 HydrophobicContact CD1-CH2 3.96Å; L311-W374 HydrophobicContact CD1-CZ2 3.86Å; V314-W374 HydrophobicContact CG1-CH2 4.22Å; V314-W374 HydrophobicContact CG1-CZ3 4.11Å; V314-W374 HydrophobicContact CG2-CH2 3.9Å; I332-W374 HydrophobicContact CD1-CE3 4.04Å; I332-W374 HydrophobicContact CG1-CE3 3.66Å; I332-W374 HydrophobicContact CG1-CZ3 4Å; L333-W374 WeakPolarHBondContact O-CA 3.42Å; P335-W374 VanDerWaalsContact CD-NE1 3.29Å; P335-W374 HydrophobicContact CG-CG 4.44Å; Q365-W374 HydrophobicContact CB-CH2 4.44Å; Q365-W374 HydrophobicContact CG-CH2 3.93Å; Q365-W374 HydrophobicContact CG-CZ3 4.28Å; P370-W374 HydrophobicContact CB-CZ2 4.17Å; P370-W374 PolarHBondContact O-NE1 3.06Å; W374-W393 HydrophobicContact CB-CH2 4.18Å; W374-I395 HydrophobicContact CB-CD1 4.29Å; W374-I395 HydrophobicContact CD2-CD1 3.39Å; W374-I395 HydrophobicContact CE3-CD1 3.46Å; W374-I395 VanDerWaalsContact CE3-CD1 3.46Å; W374-I395 HydrophobicContact CG-CD1 3.77Å; W374-I395 HydrophobicContact CH2-CD1 4.41Å; W374-I395 HydrophobicContact CZ2-CD1 4.38Å; W374-I395 HydrophobicContact CZ3-CD1 3.99Å; W374-L397 HydrophobicContact CZ2-CD2 4.05Å
375	V	98.5	Very high	94.9	Very high	23 Å²	23	30.1 Å²	30.1	14%	0.139	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	114.8	178.4	-172.5	0	0	0	0	109.9	N294 F295 L333 T373	N294-V375 HydrophobicContact CB-CG1 3.86Å; F295-V375 WeakPolarHBondContact O-CA 3.26Å; L333-V375 HydrophobicContact CB-CB 4.17Å; L333-V375 HydrophobicContact CD2-CB 4.46Å; L333-V375 HydrophobicContact CD2-CG2 4.46Å; L333-V375 PolarHBondContact N-O 2.8Å; L333-V375 PolarHBondContact O-N 3.35Å; T373-V375 HydrophobicContact CG2-CG2 4.26Å
376	L	98.5	Very high	94.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.6	167.5	179.8	75.5	0	0	0	108.5	N294 F295 V316 L318 I330 F331 I332 I342 F390 W393	N294-L376 CarbonylContact C-O 3.59Å; N294-L376 WeakPolarHBondContact CA-O 3.17Å; F295-L376 HydrophobicContact CB-CB 4.33Å; F295-L376 HydrophobicContact CD2-CD2 4.17Å; F295-L376 PolarHBondContact N-O 2.63Å; F295-L376 PolarHBondContact O-N 3.37Å; V316-L376 HydrophobicContact CG1-CD1 3.91Å; L318-L376 HydrophobicContact CD1-CD1 4.28Å; L318-L376 HydrophobicContact CD2-CD1 4.13Å; L318-L376 HydrophobicContact CD2-CD2 3.57Å; I330-L376 HydrophobicContact CG2-CD1 3.73Å; F331-L376 WeakPolarHBondContact O-CA 3.42Å; I332-L376 HydrophobicContact CD1-CB 4.34Å; I342-L376 HydrophobicContact CD1-CD1 4.28Å; L376-F390 HydrophobicContact CD2-CE2 3.94Å; L376-F390 HydrophobicContact CD2-CZ 4.04Å; L376-W393 HydrophobicContact CB-CD2 4.24Å; L376-W393 HydrophobicContact CB-CE3 4.49Å; L376-W393 HydrophobicContact CB-CH2 4.28Å; L376-W393 HydrophobicContact CB-CZ2 4.03Å; L376-W393 HydrophobicContact CB-CZ3 4.47Å; L376-W393 HydrophobicContact CD2-CB 4.05Å; L376-W393 HydrophobicContact CD2-CD2 3.91Å; L376-W393 HydrophobicContact CD2-CE3 4.44Å; L376-W393 HydrophobicContact CD2-CG 3.73Å
377	T	98.4	Very high	94.6	Very high	13 Å²	13	39.1 Å²	39.1	8%	0.08	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.7	173.6	-56.2	0	0	0	0	109.6	Q293 N294 I330 F331 E379	Q293-T377 CarbonylContact O-C 3.53Å; Q293-T377 WeakPolarHBondContact O-CA 3.19Å; N294-T377 WeakPolarHBondContact OD1-CB 3.46Å; N294-T377 VanDerWaalsContact OD1-CG2 3.3Å; N294-T377 WeakPolarHBondContact OD1-CG2 3.48Å; N294-T377 PolarHBondContact OD1-OG1 3.16Å; I330-T377 WeakPolarHBondContact CA-O 3.38Å; F331-T377 HydrophobicContact CD2-CG2 4.5Å; F331-T377 PolarHBondContact N-O 2.96Å; F331-T377 PolarHBondContact O-N 2.75Å; T377-E379 HydrophobicContact CG2-CG 3.79Å
378	L	97.1	Very high	94.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.6	172.6	-172.9	64.8	0	0	0	109.5	L287 F291 S292 Q293 F295 I320 L328 I330 F390	L287-L378 HydrophobicContact CD1-CD2 3.41Å; L287-L378 VanDerWaalsContact CD1-CD2 3.41Å; L287-L378 HydrophobicContact CD2-CD2 4.01Å; L287-L378 HydrophobicContact CG-CD2 4.35Å; F291-L378 WeakPolarHBondContact CD2-O 3.24Å; F291-L378 HydrophobicContact CE2-CB 4.21Å; F291-L378 HydrophobicContact CE2-CD2 3.97Å; F291-L378 HydrophobicContact CE2-CG 3.72Å; F291-L378 WeakPolarHBondContact CE2-O 3.21Å; F291-L378 HydrophobicContact CZ-CD2 4.18Å; F291-L378 HydrophobicContact CZ-CG 4.12Å; S292-L378 WeakPolarHBondContact CA-O 3.5Å; Q293-L378 PolarHBondContact N-O 3.39Å; Q293-L378 PolarHBondContact O-N 2.65Å; F295-L378 HydrophobicContact CE2-CB 4.24Å; I320-L378 HydrophobicContact CD1-CD1 3.68Å; I320-L378 HydrophobicContact CD1-CD2 3.92Å; I320-L378 HydrophobicContact CD1-CG 4.43Å; I320-L378 HydrophobicContact CG2-CD2 4.49Å; L328-L378 HydrophobicContact CD2-CD1 4.03Å; L328-L378 HydrophobicContact CD2-CG 4.46Å; I330-L378 HydrophobicContact CD1-CD1 4.04Å; I330-L378 HydrophobicContact CG1-CD1 3.71Å; L378-F390 HydrophobicContact CD2-CD2 4.31Å
379	E	97.2	Very high	94.4	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.8	178.7	-45.4	-168.8	130.6	0	0	112	F291 S292 L328 R329 F331 T377 T381 R444	F291-E379 VanDerWaalsContact O-CA 3.31Å; F291-E379 WeakPolarHBondContact O-CA 3.44Å; S292-E379 PolarHBondContact OG-OE1 3.12Å; L328-E379 WeakPolarHBondContact CA-O 3.3Å; R329-E379 HydrophobicContact CB-CB 4.32Å; R329-E379 PolarHBondContact N-O 3.19Å; R329-E379 PolarHBondContact O-N 3.46Å; F331-E379 HydrophobicContact CE2-CG 4.47Å; T377-E379 HydrophobicContact CG2-CG 3.79Å; E379-T381 HydrophobicContact CB-CG2 4.32Å; E379-R444 IonicContact OE1-NH1 3.38Å
380	N	95.5	Very high	94.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114	156.3	169.9	22.4	0	0	0	107.7	G289 M290 F291 F322 R382 S383	G289-N380 PolarHBondContact O-ND2 3.33Å; M290-N380 CarbonylContact C-O 3.53Å; M290-N380 WeakPolarHBondContact CA-O 3.35Å; F291-N380 HydrophobicContact CD1-CB 3.85Å; F291-N380 HydrophobicContact CE1-CB 3.45Å; F291-N380 VanDerWaalsContact CE1-CB 3.45Å; F291-N380 HydrophobicContact CZ-CB 3.91Å; F291-N380 PolarHBondContact N-O 3.43Å; F291-N380 PolarHBondContact O-N 3.26Å; F322-N380 HydrophobicContact CE1-CB 4.41Å; F322-N380 HydrophobicContact CZ-CB 3.97Å; N380-R382 PolarHBondContact OD1-N 2.03Å; N380-R382 VanDerWaalsContact OD1-N 3.14Å; N380-S383 PolarHBondContact ND2-O 3.24Å; N380-S383 PolarHBondContact OD1-N 3.2Å
381	T	86.6	Confident	94.2	Very high	67 Å²	67	41.8 Å²	41.8	41%	0.411	23%	0.23	S	C	.	.			trans	-114.7	0.3	-179.7	59	0	0	0	0	113	M290 E379	M290-T381 WeakPolarHBondContact CE-O 3.24Å; E379-T381 HydrophobicContact CB-CG2 4.32Å
382	R	86.1	Confident	94	Very high	78 Å²	78	40 Å²	40	29%	0.294	22%	0.223	S	C	.	.	S	Bend	trans	-95.1	-39.6	-170.5	-77.8	-69	-168.2	166.6	-0.3	113.6	D327 V345 N380 E461	D327-R382 HydrophobicContact CB-CB 4.24Å; V345-R382 HydrophobicContact CG1-CG 4.05Å; V345-R382 HydrophobicContact CG2-CG 4.46Å; N380-R382 PolarHBondContact OD1-N 2.03Å; N380-R382 VanDerWaalsContact OD1-N 3.14Å; R382-E461 IonicContact CZ-OE1 3.4Å; R382-E461 VanDerWaalsContact CZ-OE1 3.26Å; R382-E461 IonicContact NH1-OE1 3.44Å; R382-E461 PolarHBondContact NH1-OE1 3.43Å; R382-E461 IonicContact NH2-OE1 3.55Å; R382-E461 PolarHBondContact NH2-OE1 2.82Å
383	S	84	Confident	93.9	Very high	18 Å²	18	39 Å²	39	13%	0.126	21%	0.212	C	C	.	.			trans	-148.2	128.4	-172.5	172.6	0	0	0	0	113	N380 L385	N380-S383 PolarHBondContact ND2-O 3.24Å; N380-S383 PolarHBondContact OD1-N 3.2Å; S383-L385 PolarHBondContact O-N 3.31Å; S383-L385 PolarHBondContact OG-N 3.08Å
384	P	87.1	Confident	93.8	Very high	87 Å²	87	38 Å²	38	57%	0.565	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-1.8	175.4	33.6	-36.6	0	0	0	113.5	G289 M290	G289-P384 VanDerWaalsContact CA-O 3.31Å; G289-P384 WeakPolarHBondContact CA-O 3.36Å; M290-P384 HydrophobicContact CG-CB 4.35Å
385	L	89.2	Confident	93.8	Very high	140 Å²	140	38 Å²	38	73%	0.733	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.2	-179.3	-59.4	176.7	0	0	0	113.1	S383	S383-L385 PolarHBondContact O-N 3.31Å; S383-L385 PolarHBondContact OG-N 3.08Å
386	R	93.5	Very high	93.8	Very high	73 Å²	73	37.3 Å²	37.3	28%	0.275	20%	0.198	S	C	.	.			trans	-81.4	153.2	-178.4	-53.5	-57.4	-179.6	-161.1	-6.9	111.3	G289 F322 R324 D327	G289-R386 PolarHBondContact N-O 2.89Å; F322-R386 HydrophobicContact CE1-CB 3.64Å; F322-R386 HydrophobicContact CE1-CG 4.24Å; F322-R386 HydrophobicContact CE2-CB 4.44Å; F322-R386 HydrophobicContact CZ-CB 3.55Å; R324-R386 VanDerWaalsContact CD-CZ 3.41Å; D327-R386 HydrophobicContact CB-CG 4.44Å; D327-R386 WeakPolarHBondContact OD2-CD 3.17Å; D327-R386 VanDerWaalsContact OD2-CG 3.29Å; D327-R386 WeakPolarHBondContact OD2-CG 3.39Å; D327-R386 IonicContact OD2-CZ 2.65Å; D327-R386 IonicContact OD2-NE 3.26Å; D327-R386 PolarHBondContact OD2-NE 2.64Å; D327-R386 IonicContact OD2-NH2 3.39Å
387	H	95.3	Very high	93.8	Very high	120 Å²	120	37.2 Å²	37.2	56%	0.556	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-155.4	160.6	-176.3	59.5	-88.7	0	0	0	109.7	L287 S323	L287-H387 CarbonylContact O-C 3.51Å; L287-H387 WeakPolarHBondContact O-CA 3.43Å; S323-H387 WeakPolarHBondContact CB-O 2.86Å; S323-H387 PolarHBondContact N-O 3.47Å; S323-H387 PolarHBondContact OG-N 3.05Å; S323-H387 VanDerWaalsContact OG-N 3.1Å; S323-H387 PolarHBondContact OG-O 3.24Å; S323-H387 VanDerWaalsContact OG-O 3.11Å
388	G	95.6	Very high	93.8	Very high	22 Å²	22	37.5 Å²	37.5	23%	0.227	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	-159.8	179.3	0	0	0	0	0	112.2	L287 H321	L287-G388 PolarHBondContact N-O 3.14Å; L287-G388 PolarHBondContact O-N 2.95Å; H321-G388 CarbonylContact O-C 3.56Å; H321-G388 WeakPolarHBondContact O-CA 3.09Å
389	S	95.5	Very high	93.7	Very high	27 Å²	27	37.5 Å²	37.5	19%	0.189	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.4	174.8	61.9	0	0	0	0	111.5	I285 I320 H321 D391	I285-S389 CarbonylContact O-C 3.55Å; I285-S389 VanDerWaalsContact O-CA 3.24Å; I285-S389 WeakPolarHBondContact O-CA 3.47Å; I320-S389 WeakPolarHBondContact CA-O 2.98Å; I320-S389 WeakPolarHBondContact CG2-O 3.26Å; H321-S389 PolarHBondContact N-O 2.9Å; H321-S389 PolarHBondContact O-N 3.48Å; S389-D391 PolarHBondContact OG-OD1 2.85Å
390	F	95.6	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.4	168.1	175.2	-100.9	0	0	0	108.4	M281 P284 I285 L287 F295 I320 L376 L378 W393	M281-F390 HydrophobicContact CE-CD1 3.66Å; M281-F390 HydrophobicContact CE-CE1 4.09Å; M281-F390 WeakPolarHBondContact CE-O 3.31Å; P284-F390 CarbonylContact C-O 3.47Å; P284-F390 WeakPolarHBondContact CA-O 3.01Å; I285-F390 HydrophobicContact CB-CB 4.45Å; I285-F390 PolarHBondContact N-O 3.47Å; I285-F390 PolarHBondContact O-N 3.02Å; L287-F390 HydrophobicContact CD1-CB 4.1Å; L287-F390 HydrophobicContact CD2-CB 4.24Å; L287-F390 HydrophobicContact CG-CB 4.25Å; F295-F390 HydrophobicContact CD1-CD1 4.15Å; F295-F390 AromaticContact CD1-CE1 3.82Å; F295-F390 HydrophobicContact CD1-CE1 3.82Å; F295-F390 HydrophobicContact CD2-CD1 4.43Å; F295-F390 HydrophobicContact CD2-CE1 4.08Å; F295-F390 HydrophobicContact CD2-CE2 4.46Å; F295-F390 HydrophobicContact CD2-CZ 4.1Å; F295-F390 AromaticContact CE1-CD1 3.62Å; F295-F390 HydrophobicContact CE1-CD1 3.62Å; F295-F390 AromaticContact CE1-CE1 3.8Å; F295-F390 HydrophobicContact CE1-CE1 3.8Å; F295-F390 HydrophobicContact CE1-CG 4.41Å; F295-F390 AromaticContact CE2-CD1 3.92Å; F295-F390 HydrophobicContact CE2-CD1 3.92Å; F295-F390 HydrophobicContact CE2-CD2 4.21Å; F295-F390 HydrophobicContact CE2-CE1 4.03Å; F295-F390 HydrophobicContact CE2-CE2 4.33Å; F295-F390 HydrophobicContact CE2-CG 4.02Å; F295-F390 HydrophobicContact CE2-CZ 4.24Å; F295-F390 AromaticContact CG-CE1 3.96Å; F295-F390 HydrophobicContact CG-CE1 3.96Å; F295-F390 HydrophobicContact CG-CZ 4.25Å; F295-F390 HydrophobicContact CZ-CB 4.29Å; F295-F390 AromaticContact CZ-CD1 3.47Å; F295-F390 HydrophobicContact CZ-CD1 3.47Å; F295-F390 VanDerWaalsContact CZ-CD1 3.47Å; F295-F390 HydrophobicContact CZ-CD2 4.45Å; F295-F390 AromaticContact CZ-CE1 3.88Å; F295-F390 HydrophobicContact CZ-CE1 3.88Å; F295-F390 AromaticContact CZ-CG 3.8Å; F295-F390 HydrophobicContact CZ-CG 3.8Å; I320-F390 HydrophobicContact CD1-CD2 4.04Å; I320-F390 HydrophobicContact CD1-CE2 4.44Å; I320-F390 HydrophobicContact CG1-CD2 3.9Å; I320-F390 HydrophobicContact CG1-CE2 4.39Å; L376-F390 HydrophobicContact CD2-CE2 3.94Å; L376-F390 HydrophobicContact CD2-CZ 4.04Å; L378-F390 HydrophobicContact CD2-CD2 4.31Å; F390-W393 HydrophobicContact CE2-CB 4.47Å; F390-W393 HydrophobicContact CZ-CB 4.07Å; F390-W393 AromaticContact CZ-CD1 3.63Å; F390-W393 HydrophobicContact CZ-CG 4.15Å
391	D	92.8	Very high	93.6	Very high	33 Å²	33	41.3 Å²	41.3	18%	0.176	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-68.9	-173.9	-56.1	-35.1	0	0	0	110.8	M281 P284 S319 H321 S389	M281-D391 WeakPolarHBondContact CE-O 3.43Å; P284-D391 VanDerWaalsContact CB-OD1 3.23Å; P284-D391 WeakPolarHBondContact CB-OD1 3.45Å; P284-D391 VanDerWaalsContact CG-OD1 3.32Å; P284-D391 WeakPolarHBondContact CG-OD1 3.16Å; S319-D391 PolarHBondContact O-N 3.28Å; H321-D391 IonicContact CD2-OD2 3.6Å; H321-D391 PolarHBondContact CD2-OD2 2.94Å; H321-D391 IonicContact NE2-OD2 2.99Å; S389-D391 PolarHBondContact OG-OD1 2.85Å
392	D	92.5	Very high	93.9	Very high	41 Å²	41	41.9 Å²	41.9	22%	0.219	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	165.8	-177.2	70.1	93	0	0	0	111.5	S319	S319-D392 PolarHBondContact N-O 3.24Å
393	W	96.1	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.9	165.3	73.7	-70.6	0	0	0	113	Y279 L297 V316 I317 L318 I332 W374 L376 F390 I395	Y279-W393 AromaticContact CD1-CD1 3.62Å; Y279-W393 AromaticContact CD1-NE1 3.67Å; Y279-W393 AromaticContact CD2-NE1 3.71Å; Y279-W393 AromaticContact CG-CD1 3.55Å; Y279-W393 AromaticContact CG-NE1 3.22Å; Y279-W393 PolarHBondContact N-O 3.41Å; L297-W393 HydrophobicContact CB-CH2 3.9Å; L297-W393 HydrophobicContact CB-CZ2 3.38Å; L297-W393 HydrophobicContact CD2-CH2 4.03Å; L297-W393 HydrophobicContact CD2-CZ2 3.94Å; L297-W393 HydrophobicContact CG-CZ2 4.33Å; V316-W393 HydrophobicContact CG1-CE3 3.88Å; V316-W393 HydrophobicContact CG1-CZ3 4.26Å; I317-W393 CarbonylContact O-C 3.54Å; I317-W393 VanDerWaalsContact O-CA 3.28Å; I317-W393 WeakPolarHBondContact O-CA 3.42Å; L318-W393 HydrophobicContact CD2-CB 3.33Å; L318-W393 HydrophobicContact CD2-CG 4.27Å; I332-W393 HydrophobicContact CD1-CH2 3.95Å; I332-W393 HydrophobicContact CD1-CZ3 3.85Å; W374-W393 HydrophobicContact CB-CH2 4.18Å; L376-W393 HydrophobicContact CB-CD2 4.24Å; L376-W393 HydrophobicContact CB-CE3 4.49Å; L376-W393 HydrophobicContact CB-CH2 4.28Å; L376-W393 HydrophobicContact CB-CZ2 4.03Å; L376-W393 HydrophobicContact CB-CZ3 4.47Å; L376-W393 HydrophobicContact CD2-CB 4.05Å; L376-W393 HydrophobicContact CD2-CD2 3.91Å; L376-W393 HydrophobicContact CD2-CE3 4.44Å; L376-W393 HydrophobicContact CD2-CG 3.73Å; F390-W393 HydrophobicContact CE2-CB 4.47Å; F390-W393 HydrophobicContact CZ-CB 4.07Å; F390-W393 AromaticContact CZ-CD1 3.63Å; F390-W393 HydrophobicContact CZ-CG 4.15Å; W393-I395 HydrophobicContact CE3-CB 4.32Å; W393-I395 HydrophobicContact CH2-CB 4.38Å; W393-I395 HydrophobicContact CZ3-CB 3.69Å; W393-I395 HydrophobicContact CZ3-CD1 4.3Å; W393-I395 HydrophobicContact CZ3-CG1 4.38Å; W393-I395 HydrophobicContact CZ3-CG2 4.35Å
394	Q	97.2	Very high	94.5	Very high	48 Å²	48	39.6 Å²	39.6	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.3	171.5	-56.4	174.1	19.8	0	0	109.9	T276 F277 T278 V316 I317	T276-Q394 HydrophobicContact CG2-CB 4.29Å; F277-Q394 CarbonylContact O-C 3.59Å; F277-Q394 VanDerWaalsContact O-CA 3.3Å; F277-Q394 WeakPolarHBondContact O-CA 3.2Å; T278-Q394 HydrophobicContact CG2-CG 3.88Å; V316-Q394 CarbonylContact C-O 3.58Å; V316-Q394 WeakPolarHBondContact CA-O 3.25Å; I317-Q394 HydrophobicContact CB-CB 4.16Å; I317-Q394 HydrophobicContact CD1-CB 4.44Å; I317-Q394 PolarHBondContact N-O 2.02Å; I317-Q394 PolarHBondContact O-N 2.92Å
395	I	98.2	Very high	94.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.4	166.3	-166.1	169.7	0	0	0	108.9	T276 F277 L297 V299 V314 Q315 W374 W393 L397	T276-I395 CarbonylContact C-O 3.59Å; T276-I395 VanDerWaalsContact CA-O 3.31Å; T276-I395 WeakPolarHBondContact CA-O 3.31Å; F277-I395 HydrophobicContact CB-CG2 3.92Å; F277-I395 HydrophobicContact CD2-CG2 4.25Å; F277-I395 PolarHBondContact N-O 3.32Å; F277-I395 PolarHBondContact O-N 3.31Å; L297-I395 HydrophobicContact CD2-CG2 3.73Å; V299-I395 HydrophobicContact CG1-CG2 4.06Å; V314-I395 HydrophobicContact CG1-CD1 3.87Å; V314-I395 HydrophobicContact CG1-CG1 3.9Å; Q315-I395 CarbonylContact O-C 3.56Å; Q315-I395 WeakPolarHBondContact O-CA 3.4Å; W374-I395 HydrophobicContact CB-CD1 4.29Å; W374-I395 HydrophobicContact CD2-CD1 3.39Å; W374-I395 HydrophobicContact CE3-CD1 3.46Å; W374-I395 VanDerWaalsContact CE3-CD1 3.46Å; W374-I395 HydrophobicContact CG-CD1 3.77Å; W374-I395 HydrophobicContact CH2-CD1 4.41Å; W374-I395 HydrophobicContact CZ2-CD1 4.38Å; W374-I395 HydrophobicContact CZ3-CD1 3.99Å; W393-I395 HydrophobicContact CE3-CB 4.32Å; W393-I395 HydrophobicContact CH2-CB 4.38Å; W393-I395 HydrophobicContact CZ3-CB 3.69Å; W393-I395 HydrophobicContact CZ3-CD1 4.3Å; W393-I395 HydrophobicContact CZ3-CG1 4.38Å; W393-I395 HydrophobicContact CZ3-CG2 4.35Å; I395-L397 HydrophobicContact CD1-CD2 3.81Å; I395-L397 HydrophobicContact CG1-CD2 3.82Å
396	T	97.8	Very high	93.7	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.7	171.2	-58.4	0	0	0	0	108.9	S274 C275 T276 Q315 F398	S274-T396 WeakPolarHBondContact OG-CG2 3.27Å; C275-T396 WeakPolarHBondContact O-CA 3.48Å; T276-T396 WeakPolarHBondContact CG2-OG1 3.09Å; T276-T396 WeakPolarHBondContact OG1-CG2 3.28Å; T276-T396 PolarHBondContact OG1-OG1 3.2Å; Q315-T396 PolarHBondContact N-O 3.01Å; Q315-T396 PolarHBondContact O-N 3.22Å; T396-F398 HydrophobicContact CG2-CD2 4.16Å; T396-F398 HydrophobicContact CG2-CE1 4.27Å; T396-F398 HydrophobicContact CG2-CE2 3.43Å; T396-F398 VanDerWaalsContact CG2-CE2 3.43Å; T396-F398 HydrophobicContact CG2-CZ 3.5Å
397	L	98.3	Very high	92.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.3	-178.6	-51.1	172.4	0	0	0	108.2	S274 C275 F277 V299 V308 L311 V314 P370 W374 I395	S274-L397 CarbonylContact C-O 3.56Å; S274-L397 WeakPolarHBondContact CA-O 3.41Å; C275-L397 HydrophobicContact CB-CB 4.42Å; C275-L397 PolarHBondContact N-O 3.2Å; C275-L397 PolarHBondContact O-N 3.5Å; F277-L397 HydrophobicContact CD2-CD1 4.25Å; F277-L397 HydrophobicContact CE2-CD1 3.84Å; V299-L397 HydrophobicContact CG2-CD1 4.42Å; V308-L397 HydrophobicContact CG1-CB 4.47Å; L311-L397 HydrophobicContact CD2-CB 3.91Å; L311-L397 HydrophobicContact CD2-CD2 4.03Å; L311-L397 HydrophobicContact CD2-CG 4.48Å; V314-L397 HydrophobicContact CG1-CD2 4.38Å; V314-L397 HydrophobicContact CG2-CD2 4.38Å; P370-L397 HydrophobicContact CB-CD1 3.63Å; P370-L397 HydrophobicContact CB-CD2 4.25Å; P370-L397 HydrophobicContact CB-CG 4.47Å; P370-L397 HydrophobicContact CG-CD1 4.05Å; W374-L397 HydrophobicContact CZ2-CD2 4.05Å; I395-L397 HydrophobicContact CD1-CD2 3.81Å; I395-L397 HydrophobicContact CG1-CD2 3.82Å
398	F	97.7	Very high	90.5	Very high	19 Å²	19	31.3 Å²	31.3	8%	0.083	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.2	172.3	-60.1	-95	0	0	0	108.9	I141 H273 S274 E312 H313 Q315 T396	I141-F398 HydrophobicContact CD1-CD1 3.78Å; I141-F398 HydrophobicContact CD1-CE1 3.55Å; I141-F398 HydrophobicContact CD1-CE2 4.37Å; I141-F398 HydrophobicContact CD1-CG 4.29Å; I141-F398 HydrophobicContact CD1-CZ 3.87Å; I141-F398 HydrophobicContact CG2-CE2 4.46Å; H273-F398 WeakPolarHBondContact O-CA 3.22Å; S274-F398 WeakPolarHBondContact OG-CE1 3.39Å; E312-F398 PolarHBondContact N-O 3.19Å; H313-F398 HydrophobicContact CB-CB 4.01Å; H313-F398 HydrophobicContact CB-CD2 3.94Å; H313-F398 HydrophobicContact CB-CG 4.26Å; H313-F398 PolarHBondContact N-O 3.46Å; H313-F398 PolarHBondContact O-N 3.15Å; Q315-F398 HydrophobicContact CB-CE2 4.29Å; Q315-F398 HydrophobicContact CG-CE2 3.97Å; T396-F398 HydrophobicContact CG2-CD2 4.16Å; T396-F398 HydrophobicContact CG2-CE1 4.27Å; T396-F398 HydrophobicContact CG2-CE2 3.43Å; T396-F398 VanDerWaalsContact CG2-CE2 3.43Å; T396-F398 HydrophobicContact CG2-CZ 3.5Å
399	G	96.8	Very high	88.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-154.9	175.3	0	0	0	0	0	113.4	Q272 H273 Y310	Q272-G399 CarbonylContact C-O 3.58Å; Q272-G399 WeakPolarHBondContact CA-O 3.45Å; H273-G399 PolarHBondContact N-O 2.85Å; H273-G399 PolarHBondContact O-N 2.9Å; H273-G399 VanDerWaalsContact O-N 3.07Å; Y310-G399 VanDerWaalsContact O-CA 3.27Å; Y310-G399 WeakPolarHBondContact O-CA 3.07Å
400	T	95.7	Very high	85.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.9	-174.3	49.1	0	0	0	0	111.6	P270 R309 Y310 V402	P270-T400 HydrophobicContact CB-CG2 3.94Å; P270-T400 HydrophobicContact CG-CG2 4.28Å; R309-T400 PolarHBondContact N-O 2.94Å; Y310-T400 PolarHBondContact N-O 3.16Å; Y310-T400 PolarHBondContact O-N 3.16Å; T400-V402 WeakPolarHBondContact CB-O 3.48Å; T400-V402 PolarHBondContact OG1-O 3.15Å; T400-V402 VanDerWaalsContact OG1-O 3.14Å
401	E	94.7	Very high	83.2	Confident	87 Å²	87	47.1 Å²	47.1	41%	0.407	27%	0.27	S	S	.	.	S	Bend	trans	-76.4	-36.9	173.6	-178.9	171.3	-163.3	0	0	112	R307 R309 Y310	R307-E401 HydrophobicContact CB-CB 4.44Å; R307-E401 HydrophobicContact CB-CG 4.07Å; R307-E401 HydrophobicContact CG-CG 4.42Å; R307-E401 WeakPolarHBondContact O-CB 3.46Å; R309-E401 WeakPolarHBondContact CB-O 3.4Å; R309-E401 WeakPolarHBondContact CD-O 3.33Å; Y310-E401 WeakPolarHBondContact CE2-O 3.43Å
402	V	93.1	Very high	80.1	Confident	78 Å²	78	49.9 Å²	49.9	47%	0.473	29%	0.288	S	S	.	.	S	Bend	trans	-110.9	154.4	-176.8	-70.4	0	0	0	0	111.1	P270 T400	P270-V402 HydrophobicContact CB-CG2 3.58Å; P270-V402 HydrophobicContact CG-CG2 3.27Å; T400-V402 WeakPolarHBondContact CB-O 3.48Å; T400-V402 PolarHBondContact OG1-O 3.15Å; T400-V402 VanDerWaalsContact OG1-O 3.14Å
403	P	91.7	Very high	77.2	Confident	35 Å²	35	54.1 Å²	54.1	23%	0.227	31%	0.31	C	S	.	.			trans	-50.3	132.2	-179.8	-26.5	30.7	0	0	0	112.3	Y310 Q405 E410	Y310-P403 HydrophobicContact CE1-CB 4.4Å; Y310-P403 HydrophobicContact CE1-CG 4.24Å; Y310-P403 HydrophobicContact CE2-CG 4.01Å; Y310-P403 WeakPolarHBondContact OH-CG 3.17Å; P403-Q405 PolarHBondContact O-N 3.14Å; P403-Q405 VanDerWaalsContact O-N 3.11Å; P403-E410 HydrophobicContact CG-CG 4.39Å
404	P	89.8	Confident	73.9	Confident	13 Å²	13	60.2 Å²	60.2	8%	0.084	34%	0.343	C	S	.	.	S	Bend	trans	-63.1	-20.2	-178.5	-25.6	32.3	0	0	0	114.8	H219 V269	H219-P404 VanDerWaalsContact CE1-CB 3.43Å; H219-P404 WeakPolarHBondContact CE1-CB 3.3Å; H219-P404 VanDerWaalsContact CE1-CG 3.45Å; H219-P404 WeakPolarHBondContact CE1-CG 3.43Å; H219-P404 WeakPolarHBondContact ND1-CB 3.28Å; V269-P404 HydrophobicContact CG1-CB 4.03Å
405	Q	87.3	Confident	70.5	Confident	35 Å²	35	62.4 Å²	62.4	16%	0.164	37%	0.369	C	S	.	.	S	Bend	trans	-138.2	149.1	176.4	-69.8	-61.9	-69.7	0	0	110.7	W266 K267 P403 G407 G408	W266-Q405 HydrophobicContact CE3-CG 4.04Å; W266-Q405 HydrophobicContact CH2-CG 3.42Å; W266-Q405 VanDerWaalsContact CH2-CG 3.42Å; W266-Q405 HydrophobicContact CZ2-CG 3.94Å; W266-Q405 VanDerWaalsContact CZ2-NE2 3.26Å; W266-Q405 HydrophobicContact CZ3-CG 3.47Å; W266-Q405 VanDerWaalsContact CZ3-CG 3.47Å; K267-Q405 PolarHBondContact O-NE2 2.87Å; P403-Q405 PolarHBondContact O-N 3.14Å; P403-Q405 VanDerWaalsContact O-N 3.11Å; Q405-G407 PolarHBondContact O-N 2.65Å; Q405-G408 PolarHBondContact O-N 2.93Å
406	P	72.3	Confident	67.1	Low	89 Å²	89	66.6 Å²	66.6	58%	0.578	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	134.7	175	-15	26.7	0	0	0	111.6	K267 G408	K267-P406 HydrophobicContact CD-CG 3.69Å; P406-G408 VanDerWaalsContact C-N 3.28Å
407	G	65.8	Low	63.6	Low	86 Å²	86	74.1 Å²	74.1	89%	0.887	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	6.9	-177.7	0	0	0	0	0	114.5	Q405	Q405-G407 PolarHBondContact O-N 2.65Å
408	G	57.1	Low	60.2	Low	36 Å²	36	77.7 Å²	77.7	37%	0.371	48%	0.475	S	S	.	.			trans	-62.9	133.4	161.8	0	0	0	0	0	109.3	Q405 P406 E410	Q405-G408 PolarHBondContact O-N 2.93Å; P406-G408 VanDerWaalsContact C-N 3.28Å; G408-E410 PolarHBondContact O-N 3.14Å
409	E	47.1	Very low	56.7	Low	160 Å²	160	82.4 Å²	82.4	75%	0.748	51%	0.511	S	S	*	.			trans	-49.7	114.2	178.9	-68.1	-178.4	154.6	0	0	109.5	Y411	E409-Y411 PolarHBondContact O-N 3.45Å
410	E	41.5	Very low	53.3	Low	149 Å²	149	89.7 Å²	89.7	70%	0.696	55%	0.549	S	S	*	.			trans	-62.2	120.4	165.1	-88.8	-177.4	143.9	0	0	106.6	P403 G408 T412	P403-E410 HydrophobicContact CG-CG 4.39Å; G408-E410 PolarHBondContact O-N 3.14Å; E410-T412 PolarHBondContact O-N 2.92Å
411	Y	43	Very low	50.1	Low	72 Å²	72	98.9 Å²	98.9	28%	0.282	59%	0.589	S	S	.	*			trans	-67.9	82.7	169.6	-62.9	-67.9	0	0	0	108.4	V241 Y310 G367 N369 E409 L413	V241-Y411 HydrophobicContact CG1-CE1 4.18Å; V241-Y411 WeakPolarHBondContact CG1-OH 3.01Å; Y310-Y411 AromaticContact CD1-CD2 3.94Å; Y310-Y411 HydrophobicContact CD1-CD2 3.94Å; Y310-Y411 AromaticContact CD1-CE2 3.54Å; Y310-Y411 HydrophobicContact CD1-CE2 3.54Å; Y310-Y411 AromaticContact CE1-CD2 3.37Å; Y310-Y411 HydrophobicContact CE1-CD2 3.37Å; Y310-Y411 AromaticContact CE1-CE2 3.31Å; Y310-Y411 HydrophobicContact CE1-CE2 3.31Å; Y310-Y411 AromaticContact CZ-CD2 3.94Å; G367-Y411 VanDerWaalsContact O-CE2 3.28Å; G367-Y411 WeakPolarHBondContact O-CE2 3.45Å; G367-Y411 PolarHBondContact O-OH 3.13Å; N369-Y411 HydrophobicContact CB-CD2 4.49Å; E409-Y411 PolarHBondContact O-N 3.45Å; Y411-L413 PolarHBondContact O-N 2.82Å; Y411-L413 VanDerWaalsContact O-N 3.17Å
412	T	27.4	Very low	46.8	Very low	92 Å²	92	98.2 Å²	98.2	56%	0.564	61%	0.606	S	S	*	*			trans	-70.2	107	159.5	53.1	0	0	0	0	106.1	E410 D414	E410-T412 PolarHBondContact O-N 2.92Å; T412-D414 PolarHBondContact O-N 2.02Å; T412-D414 PolarHBondContact OG1-OD2 3.43Å
413	L	32.6	Very low	43.6	Very low	130 Å²	130	103 Å²	103	68%	0.681	62%	0.623	S	S	*	*			trans	-64.9	76.7	157	-76.7	165.6	0	0	0	106.3	Y411 A415	Y411-L413 PolarHBondContact O-N 2.82Å; Y411-L413 VanDerWaalsContact O-N 3.17Å; L413-A415 PolarHBondContact O-N 3.19Å
414	D	26.6	Very low	40.5	Very low	127 Å²	127	106.4 Å²	106.4	68%	0.679	65%	0.645	S	S	*	*			trans	-72.7	81.6	170.2	-83.3	-31.9	0	0	0	107.9	T412 S416	T412-D414 PolarHBondContact O-N 2.02Å; T412-D414 PolarHBondContact OG1-OD2 3.43Å; D414-S416 PolarHBondContact O-N 2.91Å
415	A	26.8	Very low	37.6	Very low	95 Å²	95	116.2 Å²	116.2	79%	0.785	69%	0.687	S	S	*	*			trans	-65.6	71.3	152.8	0	0	0	0	0	108.4	L413	L413-A415 PolarHBondContact O-N 3.19Å
416	S	25	Very low	34.7	Very low	88 Å²	88	119.5 Å²	119.5	62%	0.615	71%	0.709	S	S	*	*	S	Bend	trans	177.9	127.2	146.8	42.3	0	0	0	0	112.5	D414	D414-S416 PolarHBondContact O-N 2.91Å
417	N	25.4	Very low	32.6	Very low	165 Å²	165	120.4 Å²	120.4	88%	0.882	72%	0.715	S	S	*	*			trans	70.6	73.3	151.9	-63	-13.1	0	0	0	118.5
418	G	26.8	Very low	31.1	Very low	75 Å²	75	123.5 Å²	123.5	77%	0.773	72%	0.716	S	S	*	*			trans	-141.2	79.9	154.4	0	0	0	0	0	109.8	L420	G418-L420 PolarHBondContact O-N 3.39Å
419	S	24.9	Very low	29.9	Very low	119 Å²	119	126.7 Å²	126.7	83%	0.832	73%	0.729	S	S	*	*			trans	-55.2	99.9	173.9	53.2	0	0	0	0	111.5
420	L	25.5	Very low	29.5	Very low	153 Å²	153	122.5 Å²	122.5	80%	0.801	71%	0.711	S	S	*	*	S	Bend	trans	-130.5	92.9	150.3	-136.2	89.1	0	0	0	107.1	G418	G418-L420 PolarHBondContact O-N 3.39Å
421	F	27.3	Very low	29.6	Very low	193 Å²	193	121.7 Å²	121.7	85%	0.846	71%	0.71	S	S	*	*			trans	51.1	100.1	164	-63.1	-80.8	0	0	0	117.4
422	G	25.3	Very low	30	Very low	73 Å²	73	125 Å²	125	75%	0.753	72%	0.724	S	S	*	*			trans	-61.8	139.2	163.4	0	0	0	0	0	112.4
423	Q	26.6	Very low	31.4	Very low	177 Å²	177	128.2 Å²	128.2	83%	0.827	73%	0.732	S	S	*	*			trans	-138.4	149.9	133.9	-73.8	-161.8	-26.6	0	0	108.5
424	P	26.2	Very low	33.5	Very low	107 Å²	107	127.9 Å²	127.9	70%	0.695	73%	0.731	S	S	*	*			trans	-63.3	140.8	179.1	-3.3	18.6	0	0	0	108.8	V426	P424-V426 VanDerWaalsContact C-N 3.26Å; P424-V426 WeakPolarHBondContact O-CG2 3.04Å; P424-V426 PolarHBondContact O-N 3.31Å
425	F	28.8	Very low	36.1	Very low	219 Å²	219	123.5 Å²	123.5	96%	0.961	71%	0.71	S	S	*	*			trans	-64	90.7	167.8	-86.4	-94.5	0	0	0	109.1
426	V	27.2	Very low	39.2	Very low	104 Å²	104	121.2 Å²	121.2	63%	0.63	68%	0.683	S	S	*	*			trans	-76.6	144.3	166.4	-142.5	0	0	0	0	107.1	P424 V428	P424-V426 VanDerWaalsContact C-N 3.26Å; P424-V426 WeakPolarHBondContact O-CG2 3.04Å; P424-V426 PolarHBondContact O-N 3.31Å; V426-V428 PolarHBondContact O-N 2.94Å
427	P	28.3	Very low	42.4	Very low	108 Å²	108	121.3 Å²	121.3	70%	0.701	68%	0.681	S	S	*	*			trans	-57.9	135	179	-15	29.3	0	0	0	108.6	T429	P427-T429 VanDerWaalsContact C-N 3.3Å; P427-T429 PolarHBondContact O-N 2.85Å; P427-T429 PolarHBondContact O-OG1 3.15Å
428	V	33	Very low	45.6	Very low	151 Å²	151	114.9 Å²	114.9	92%	0.915	65%	0.646	S	S	*	*			trans	-53.8	95	-173.4	-178	0	0	0	0	109.7	V426	V426-V428 PolarHBondContact O-N 2.94Å
429	T	33.1	Very low	48.6	Very low	103 Å²	103	112.2 Å²	112.2	63%	0.632	62%	0.615	S	S	*	*			trans	-90.6	127.5	168.6	-44.5	0	0	0	0	105.3	P427 L431	P427-T429 VanDerWaalsContact C-N 3.3Å; P427-T429 PolarHBondContact O-N 2.85Å; P427-T429 PolarHBondContact O-OG1 3.15Å; T429-L431 PolarHBondContact O-N 3.48Å
430	I	39.3	Very low	51.7	Low	72 Å²	72	111.4 Å²	111.4	37%	0.369	60%	0.598	S	S	.	*			trans	-21.6	112.1	174.5	-57.3	165	0	0	0	111.7	Y432	I430-Y432 HydrophobicContact CB-CD2 4.06Å; I430-Y432 HydrophobicContact CB-CE2 3.62Å; I430-Y432 HydrophobicContact CD1-CE2 4.38Å; I430-Y432 HydrophobicContact CG2-CD2 3.84Å; I430-Y432 HydrophobicContact CG2-CE1 4.19Å; I430-Y432 HydrophobicContact CG2-CE2 3.48Å; I430-Y432 VanDerWaalsContact CG2-CE2 3.48Å; I430-Y432 HydrophobicContact CG2-CG 4.32Å; I430-Y432 WeakPolarHBondContact O-CD2 3.28Å; I430-Y432 PolarHBondContact O-N 3.32Å
431	L	42.2	Very low	54.3	Low	132 Å²	132	106.2 Å²	106.2	69%	0.691	58%	0.582	S	S	*	*			trans	-76.9	107.6	178.8	-131.2	92.6	0	0	0	109.2	T429 Q433	T429-L431 PolarHBondContact O-N 3.48Å; L431-Q433 PolarHBondContact O-N 3.49Å
432	Y	51.9	Low	56.9	Low	143 Å²	143	97.5 Å²	97.5	56%	0.561	55%	0.546	S	S	*	.			trans	-87.9	26.5	-166.6	-92	-75.6	0	0	0	116.4	I430 G441	I430-Y432 HydrophobicContact CB-CD2 4.06Å; I430-Y432 HydrophobicContact CB-CE2 3.62Å; I430-Y432 HydrophobicContact CD1-CE2 4.38Å; I430-Y432 HydrophobicContact CG2-CD2 3.84Å; I430-Y432 HydrophobicContact CG2-CE1 4.19Å; I430-Y432 HydrophobicContact CG2-CE2 3.48Å; I430-Y432 VanDerWaalsContact CG2-CE2 3.48Å; I430-Y432 HydrophobicContact CG2-CG 4.32Å; I430-Y432 WeakPolarHBondContact O-CD2 3.28Å; I430-Y432 PolarHBondContact O-N 3.32Å; Y432-G441 WeakPolarHBondContact CE1-O 3.24Å; Y432-G441 PolarHBondContact OH-O 3.05Å; Y432-G441 VanDerWaalsContact OH-O 3.11Å
433	Q	56.8	Low	59.5	Low	158 Å²	158	94.1 Å²	94.1	74%	0.738	51%	0.511	S	S	*	.	S	Bend	trans	-140.2	131.6	178.2	-68.2	-176.6	-13.5	0	0	112.4	L431	L431-Q433 PolarHBondContact O-N 3.49Å
434	N	76.6	Confident	61.7	Low	123 Å²	123	94 Å²	94	66%	0.658	50%	0.503	S	S	*	.	S	Bend	trans	75.7	41.2	-176	-54.6	-32.6	0	0	0	116.9	I446 N447	N434-I446 HydrophobicContact CB-CG2 3.84Å; N434-N447 PolarHBondContact O-N 2.81Å
435	C	82.1	Confident	63.8	Low	35 Å²	35	90.6 Å²	90.6	24%	0.236	48%	0.484	C	S	.	.			trans	-69.7	158.1	169.2	-60.7	0	0	0	0	112.5	C439 C443	C435-C439 HydrophobicContact CB-CB 3.97Å; C435-C443 WeakPolarHBondContact CA-SG 3.35Å; C435-C443 HydrophobicContact CB-CB 3.63Å; C435-C443 WeakPolarHBondContact CB-SG 3.3Å; C435-C443 WeakPolarHBondContact SG-CB 3.5Å; C435-C443 PolarHBondContact SG-N 2.8Å; C435-C443 CovalentContact SG-SG 2.03Å; C435-C443 PolarHBondContact SG-SG 2.69Å
436	H	90.3	Very high	66.3	Low	48 Å²	48	85.7 Å²	85.7	22%	0.222	47%	0.466	C	S	.	.			trans	-57.5	143.8	172.8	-173.9	-93	0	0	0	109.9	E438 C439 S448	H436-E438 WeakPolarHBondContact ND1-CB 3.41Å; H436-E438 PolarHBondContact ND1-N 2.88Å; H436-E438 PolarHBondContact O-N 2.94Å; H436-C439 WeakPolarHBondContact O-CB 3.46Å; H436-C439 PolarHBondContact O-N 3.13Å; H436-S448 WeakPolarHBondContact CB-O 3.47Å
437	P	92.4	Very high	68.8	Low	89 Å²	89	85.8 Å²	85.8	58%	0.578	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.4	-176.7	-28	35.4	0	0	0	115.4
438	E	93.8	Very high	71.4	Confident	30 Å²	30	81.8 Å²	81.8	14%	0.14	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.6	176.5	-61.7	-58.1	131.8	0	0	114.1	H436 K456 H457 C470 S472	H436-E438 WeakPolarHBondContact ND1-CB 3.41Å; H436-E438 PolarHBondContact ND1-N 2.88Å; H436-E438 PolarHBondContact O-N 2.94Å; E438-K456 WeakPolarHBondContact O-CB 3.29Å; E438-K456 PolarHBondContact O-N 3.22Å; E438-H457 IonicContact OE1-ND1 3.92Å; E438-H457 IonicContact OE2-CE1 2.95Å; E438-H457 IonicContact OE2-CG 3.9Å; E438-H457 IonicContact OE2-ND1 3.24Å; E438-H457 PolarHBondContact OE2-ND1 2.99Å; E438-C470 HydrophobicContact CB-CB 3.72Å; E438-C470 WeakPolarHBondContact O-CB 3.14Å; E438-S472 WeakPolarHBondContact OE2-CA 3.42Å; E438-S472 PolarHBondContact OE2-N 3.37Å
439	C	90	Very high	74.1	Confident	19 Å²	19	75.9 Å²	75.9	13%	0.128	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.4	173.2	-59.1	0	0	0	0	111.3	C435 H436 C452	C435-C439 HydrophobicContact CB-CB 3.97Å; H436-C439 WeakPolarHBondContact O-CB 3.46Å; H436-C439 PolarHBondContact O-N 3.13Å; C439-C452 WeakPolarHBondContact CA-SG 3.22Å; C439-C452 HydrophobicContact CB-CB 3.6Å; C439-C452 WeakPolarHBondContact CB-SG 3.3Å; C439-C452 VanDerWaalsContact SG-CA 3.52Å; C439-C452 WeakPolarHBondContact SG-CB 3.37Å; C439-C452 CovalentContact SG-SG 2.02Å; C439-C452 PolarHBondContact SG-SG 3.27Å
440	E	88.1	Confident	76.5	Confident	103 Å²	103	74 Å²	74	48%	0.481	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.7	169.7	-174.1	170.6	-143.6	0	0	109.3	G442 Q454 K456	E440-G442 PolarHBondContact O-N 2.79Å; E440-Q454 PolarHBondContact N-O 3.18Å; E440-Q454 PolarHBondContact O-N 2.79Å; E440-Q454 VanDerWaalsContact O-N 3.15Å; E440-K456 HydrophobicContact CB-CB 4.34Å
441	G	81.3	Confident	78.5	Confident	44 Å²	44	73.2 Å²	73.2	45%	0.454	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.1	1.8	178	0	0	0	0	0	116.1	Y432	Y432-G441 WeakPolarHBondContact CE1-O 3.24Å; Y432-G441 PolarHBondContact OH-O 3.05Å; Y432-G441 VanDerWaalsContact OH-O 3.11Å
442	G	80.6	Confident	80.4	Confident	9 Å²	9	68 Å²	68	9%	0.093	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.5	-178.5	176.7	0	0	0	0	0	113.4	E440 V453	E440-G442 PolarHBondContact O-N 2.79Å; G442-V453 PolarHBondContact O-N 2.87Å
443	C	80.3	Confident	81.9	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.014	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.8	178.2	59.1	0	0	0	0	110.8	C435 A445 D451	C435-C443 WeakPolarHBondContact CA-SG 3.35Å; C435-C443 HydrophobicContact CB-CB 3.63Å; C435-C443 WeakPolarHBondContact CB-SG 3.3Å; C435-C443 WeakPolarHBondContact SG-CB 3.5Å; C435-C443 PolarHBondContact SG-N 2.8Å; C435-C443 CovalentContact SG-SG 2.03Å; C435-C443 PolarHBondContact SG-SG 2.69Å; C443-A445 PolarHBondContact SG-O 3.4Å; C443-A445 VanDerWaalsContact SG-O 3.33Å; C443-D451 CarbonylContact C-O 3.49Å; C443-D451 WeakPolarHBondContact CA-O 3.5Å; C443-D451 WeakPolarHBondContact CB-O 3.29Å
444	R	74.3	Confident	83.3	Confident	174 Å²	174	61.7 Å²	61.7	66%	0.657	34%	0.34	S	S	*	.	S	Bend	trans	-96.2	-13.1	176.4	-54	178.5	-179.5	-173.1	-1.4	112.3	E379 D451	E379-R444 IonicContact OE1-NH1 3.38Å; R444-D451 HydrophobicContact CB-CB 4.15Å; R444-D451 PolarHBondContact N-O 2.87Å
445	A	70.1	Confident	84	Confident	36 Å²	36	56.1 Å²	56.1	30%	0.298	31%	0.311	S	S	.	.	S	Bend	trans	-141.7	143.7	174.5	0	0	0	0	0	111.5	C443 N447 D451	C443-A445 PolarHBondContact SG-O 3.4Å; C443-A445 VanDerWaalsContact SG-O 3.33Å; A445-N447 PolarHBondContact O-N 3.48Å; A445-D451 HydrophobicContact CB-CB 3.75Å
446	I	79.5	Confident	84.5	Confident	116 Å²	116	59.9 Å²	59.9	60%	0.595	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	129.5	-179.1	-65.4	171.6	0	0	0	109.9	N434 S448	N434-I446 HydrophobicContact CB-CG2 3.84Å; I446-S448 PolarHBondContact O-N 3.44Å
447	N	79.9	Confident	84.6	Confident	107 Å²	107	61 Å²	61	57%	0.572	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	24.9	176.6	-157.7	31.1	0	0	0	115.4	N434 A445	N434-N447 PolarHBondContact O-N 2.81Å; A445-N447 PolarHBondContact O-N 3.48Å
448	S	84.3	Confident	84.7	Confident	23 Å²	23	58.9 Å²	58.9	16%	0.161	31%	0.31	C	S	.	.			trans	-98.8	124.2	176.5	178.6	0	0	0	0	110.3	H436 I446 L450 D451	H436-S448 WeakPolarHBondContact CB-O 3.47Å; I446-S448 PolarHBondContact O-N 3.44Å; S448-L450 PolarHBondContact O-N 3.31Å; S448-L450 PolarHBondContact OG-N 3.22Å; S448-D451 VanDerWaalsContact CB-OD2 3.3Å; S448-D451 WeakPolarHBondContact CB-OD2 3.47Å; S448-D451 PolarHBondContact OG-OD2 3.01Å
449	S	88.2	Confident	84.4	Confident	27 Å²	27	60.4 Å²	60.4	19%	0.189	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.4	171.9	59.7	0	0	0	0	113.4	K469 C470	S449-K469 CarbonylContact O-C 3.6Å; S449-K469 VanDerWaalsContact O-CA 3.28Å; S449-K469 WeakPolarHBondContact O-CA 3.46Å; S449-C470 PolarHBondContact O-N 3.23Å
450	L	84.8	Confident	84.5	Confident	63 Å²	63	59.5 Å²	59.5	33%	0.33	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-20.8	-179.1	-66.7	154.6	0	0	0	112.7	S448 L462 K469	S448-L450 PolarHBondContact O-N 3.31Å; S448-L450 PolarHBondContact OG-N 3.22Å; L450-L462 HydrophobicContact CD2-CD1 3.31Å; L450-L462 HydrophobicContact CD2-CD2 4.13Å; L450-L462 HydrophobicContact CD2-CG 4.25Å; L450-K469 HydrophobicContact CD2-CB 3.97Å; L450-K469 HydrophobicContact CG-CB 4.37Å
451	D	80.2	Confident	83.8	Confident	57 Å²	57	56.2 Å²	56.2	31%	0.305	29%	0.293	S	S	.	.	S	Bend	trans	-116	22.6	-168.3	-63	-73.3	0	0	0	111.8	C443 R444 A445 S448	C443-D451 CarbonylContact C-O 3.49Å; C443-D451 WeakPolarHBondContact CA-O 3.5Å; C443-D451 WeakPolarHBondContact CB-O 3.29Å; R444-D451 HydrophobicContact CB-CB 4.15Å; R444-D451 PolarHBondContact N-O 2.87Å; A445-D451 HydrophobicContact CB-CB 3.75Å; S448-D451 VanDerWaalsContact CB-OD2 3.3Å; S448-D451 WeakPolarHBondContact CB-OD2 3.47Å; S448-D451 PolarHBondContact OG-OD2 3.01Å
452	C	83.8	Confident	83.5	Confident	21 Å²	21	55.5 Å²	55.5	14%	0.142	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.8	174.5	-55.9	0	0	0	0	110.5	C439 Q454 C470	C439-C452 WeakPolarHBondContact CA-SG 3.22Å; C439-C452 HydrophobicContact CB-CB 3.6Å; C439-C452 WeakPolarHBondContact CB-SG 3.3Å; C439-C452 VanDerWaalsContact SG-CA 3.52Å; C439-C452 WeakPolarHBondContact SG-CB 3.37Å; C439-C452 CovalentContact SG-SG 2.02Å; C439-C452 PolarHBondContact SG-SG 3.27Å; C452-Q454 VanDerWaalsContact C-N 3.35Å; C452-Q454 WeakPolarHBondContact CB-O 3.04Å; C452-C470 WeakPolarHBondContact CB-SG 3.21Å; C452-C470 PolarHBondContact SG-SG 2.89Å
453	V	82.2	Confident	82.9	Confident	71 Å²	71	59.7 Å²	59.7	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-43.7	168.5	173.7	0	0	0	0	109.7	G442	G442-V453 PolarHBondContact O-N 2.87Å
454	Q	86.6	Confident	81.8	Confident	98 Å²	98	61.6 Å²	61.6	46%	0.458	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.5	173.1	176	161.5	24.8	0	0	110.5	E440 C452 Y459	E440-Q454 PolarHBondContact N-O 3.18Å; E440-Q454 PolarHBondContact O-N 2.79Å; E440-Q454 VanDerWaalsContact O-N 3.15Å; C452-Q454 VanDerWaalsContact C-N 3.35Å; C452-Q454 WeakPolarHBondContact CB-O 3.04Å; Q454-Y459 VanDerWaalsContact CA-OH 3.3Å; Q454-Y459 WeakPolarHBondContact CA-OH 3.45Å; Q454-Y459 WeakPolarHBondContact CG-OH 3.42Å
455	C	90.7	Very high	80.5	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.2	171.5	-59.9	0	0	0	0	111.4	Y459 C470	C455-Y459 HydrophobicContact CB-CD1 4.16Å; C455-Y459 HydrophobicContact CB-CD2 4.11Å; C455-Y459 HydrophobicContact CB-CE1 4.04Å; C455-Y459 HydrophobicContact CB-CE2 3.99Å; C455-Y459 HydrophobicContact CB-CG 4.19Å; C455-Y459 PolarHBondContact N-OH 3.08Å; C455-Y459 WeakPolarHBondContact SG-CD1 3.46Å; C455-Y459 WeakPolarHBondContact SG-CE1 3Å; C455-Y459 VanDerWaalsContact SG-CG 3.6Å; C455-C470 WeakPolarHBondContact CA-SG 3.45Å; C455-C470 HydrophobicContact CB-CB 3.59Å; C455-C470 WeakPolarHBondContact CB-SG 3.45Å; C455-C470 WeakPolarHBondContact SG-CA 3.01Å; C455-C470 WeakPolarHBondContact SG-CB 3.49Å; C455-C470 CovalentContact SG-SG 2.02Å; C455-C470 PolarHBondContact SG-SG 2.74Å
456	K	92.5	Very high	79.5	Confident	114 Å²	114	54.1 Å²	54.1	50%	0.496	27%	0.271	S	S	.	.	S	Bend	trans	-61.9	-41.6	174.8	-175.3	178.8	179	179.9	0	112.4	E438 E440	E438-K456 WeakPolarHBondContact O-CB 3.29Å; E438-K456 PolarHBondContact O-N 3.22Å; E440-K456 HydrophobicContact CB-CB 4.34Å
457	H	93.5	Very high	78.9	Confident	73 Å²	73	49.5 Å²	49.5	34%	0.338	25%	0.252	S	S	.	.	S	Bend	trans	-113.8	-78	-179.4	-59.5	104.1	0	0	0	112	E438 V471	E438-H457 IonicContact OE1-ND1 3.92Å; E438-H457 IonicContact OE2-CE1 2.95Å; E438-H457 IonicContact OE2-CG 3.9Å; E438-H457 IonicContact OE2-ND1 3.24Å; E438-H457 PolarHBondContact OE2-ND1 2.99Å; H457-V471 WeakPolarHBondContact CB-O 3.48Å
458	F	93.5	Very high	79	Confident	44 Å²	44	46.4 Å²	46.4	19%	0.193	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.1	-172.6	-49.3	-64.6	0	0	0	112.4	C470 V471 S472 L480 K485	F458-C470 WeakPolarHBondContact O-CA 3.22Å; F458-V471 HydrophobicContact CB-CG2 4.17Å; F458-V471 PolarHBondContact N-O 2.58Å; F458-V471 VanDerWaalsContact N-O 3.15Å; F458-V471 PolarHBondContact O-N 2.76Å; F458-S472 WeakPolarHBondContact CD2-O 3.34Å; F458-S472 VanDerWaalsContact CE2-O 3.25Å; F458-S472 WeakPolarHBondContact CE2-O 3.4Å; F458-L480 HydrophobicContact CD1-CD1 3.56Å; F458-L480 HydrophobicContact CE1-CD1 3.69Å; F458-L480 HydrophobicContact CE1-CD2 4.1Å; F458-L480 HydrophobicContact CG-CD1 4.02Å; F458-L480 HydrophobicContact CZ-CD1 4.24Å; F458-L480 HydrophobicContact CZ-CD2 4.03Å; F458-K485 WeakPolarHBondContact CA-O 3.46Å; F458-K485 HydrophobicContact CD1-CB 4.16Å
459	Y	89.3	Confident	79.3	Confident	61 Å²	61	47 Å²	47	24%	0.239	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.6	166.4	-66.8	-90.8	0	0	0	108.9	Q454 C455 K485 R486 C487	Q454-Y459 VanDerWaalsContact CA-OH 3.3Å; Q454-Y459 WeakPolarHBondContact CA-OH 3.45Å; Q454-Y459 WeakPolarHBondContact CG-OH 3.42Å; C455-Y459 HydrophobicContact CB-CD1 4.16Å; C455-Y459 HydrophobicContact CB-CD2 4.11Å; C455-Y459 HydrophobicContact CB-CE1 4.04Å; C455-Y459 HydrophobicContact CB-CE2 3.99Å; C455-Y459 HydrophobicContact CB-CG 4.19Å; C455-Y459 PolarHBondContact N-OH 3.08Å; C455-Y459 WeakPolarHBondContact SG-CD1 3.46Å; C455-Y459 WeakPolarHBondContact SG-CE1 3Å; C455-Y459 VanDerWaalsContact SG-CG 3.6Å; Y459-K485 PolarHBondContact N-O 3.01Å; Y459-K485 VanDerWaalsContact N-O 3.11Å; Y459-R486 CarbonylContact O-C 3.57Å; Y459-R486 VanDerWaalsContact O-CA 3.26Å; Y459-R486 WeakPolarHBondContact O-CA 3.01Å; Y459-C487 PolarHBondContact O-N 2.64Å
460	Q	90.8	Very high	79.5	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.5	171.6	-177.8	174.9	-62.8	0	0	110.4	L462 S468 K469 V471 E475 Y478 C487	Q460-L462 PolarHBondContact O-N 2.84Å; Q460-S468 CarbonylContact O-C 3.45Å; Q460-S468 WeakPolarHBondContact O-CA 3.43Å; Q460-S468 WeakPolarHBondContact O-CB 3.01Å; Q460-K469 HydrophobicContact CB-CG 4.28Å; Q460-K469 PolarHBondContact N-O 3.48Å; Q460-K469 VanDerWaalsContact NE2-CE 3.27Å; Q460-K469 PolarHBondContact O-N 3.36Å; Q460-V471 HydrophobicContact CB-CG1 4.12Å; Q460-V471 HydrophobicContact CB-CG2 3.74Å; Q460-E475 VanDerWaalsContact NE2-CD 3.34Å; Q460-E475 PolarHBondContact NE2-OE2 2.75Å; Q460-Y478 HydrophobicContact CG-CD1 3.92Å; Q460-Y478 HydrophobicContact CG-CE1 3.74Å; Q460-Y478 HydrophobicContact CG-CE2 4.39Å; Q460-Y478 HydrophobicContact CG-CG 4.28Å; Q460-C487 HydrophobicContact CB-CB 3.77Å; Q460-C487 HydrophobicContact CG-CB 3.7Å
461	E	74.2	Confident	79.9	Confident	34 Å²	34	43.6 Å²	43.6	16%	0.159	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	135.5	172	-65.8	-159.8	142	0	0	110	R382 Y478 C487	R382-E461 IonicContact CZ-OE1 3.4Å; R382-E461 VanDerWaalsContact CZ-OE1 3.26Å; R382-E461 IonicContact NH1-OE1 3.44Å; R382-E461 PolarHBondContact NH1-OE1 3.43Å; R382-E461 IonicContact NH2-OE1 3.55Å; R382-E461 PolarHBondContact NH2-OE1 2.82Å; E461-Y478 WeakPolarHBondContact O-CE1 3.47Å; E461-Y478 PolarHBondContact O-OH 2.81Å; E461-C487 PolarHBondContact N-O 2.89Å
462	L	74.1	Confident	80.6	Confident	30 Å²	30	44 Å²	44	16%	0.157	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.7	177.8	-61.7	164.1	0	0	0	108.2	L450 Q460 S464 R465 G467 K469	L450-L462 HydrophobicContact CD2-CD1 3.31Å; L450-L462 HydrophobicContact CD2-CD2 4.13Å; L450-L462 HydrophobicContact CD2-CG 4.25Å; Q460-L462 PolarHBondContact O-N 2.84Å; L462-S464 PolarHBondContact O-N 3.11Å; L462-R465 HydrophobicContact CB-CB 3.94Å; L462-R465 HydrophobicContact CD1-CB 3.83Å; L462-R465 PolarHBondContact O-N 3.31Å; L462-G467 PolarHBondContact N-O 3.17Å; L462-G467 VanDerWaalsContact N-O 3.16Å; L462-K469 HydrophobicContact CD2-CB 4.21Å; L462-K469 HydrophobicContact CD2-CD 3.89Å; L462-K469 HydrophobicContact CD2-CG 3.79Å
463	R	68.2	Low	81	Confident	96 Å²	96	49.8 Å²	49.8	36%	0.362	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-24.2	-179.5	-68.5	-151.8	168.7	136.5	6.5	114.5	L476 G477 Y478 L489	R463-L476 PolarHBondContact NH2-O 3.05Å; R463-G477 PolarHBondContact NH2-O 2.02Å; R463-Y478 HydrophobicContact CG-CE2 3.95Å; R463-Y478 WeakPolarHBondContact CG-OH 3.24Å; R463-Y478 PolarHBondContact N-OH 3.2Å; R463-L489 HydrophobicContact CB-CD2 4.49Å; R463-L489 HydrophobicContact CG-CD1 4.14Å; R463-L489 HydrophobicContact CG-CD2 4.04Å; R463-L489 HydrophobicContact CG-CG 4.23Å
464	S	56.6	Low	81.4	Confident	42 Å²	42	48 Å²	48	29%	0.294	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.7	24.3	-165.8	62	0	0	0	0	112.8	K155 L462	K155-S464 PolarHBondContact NZ-O 3.3Å; K155-S464 PolarHBondContact NZ-OG 2.97Å; L462-S464 PolarHBondContact O-N 3.11Å
465	R	48.6	Very low	81.6	Confident	50 Å²	50	47.7 Å²	47.7	19%	0.189	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135	167.6	-77.8	-173.7	172	-167.6	-14.8	109.6	E161 L462 G467	E161-R465 WeakPolarHBondContact OE1-CG 3.06Å; E161-R465 IonicContact OE1-NE 2.69Å; E161-R465 PolarHBondContact OE1-NE 2.85Å; E161-R465 IonicContact OE2-CZ 2.77Å; E161-R465 VanDerWaalsContact OE2-CZ 3.28Å; E161-R465 IonicContact OE2-NE 3.78Å; E161-R465 PolarHBondContact OE2-NE 2.82Å; E161-R465 IonicContact OE2-NH2 3.86Å; E161-R465 PolarHBondContact OE2-NH2 2.77Å; L462-R465 HydrophobicContact CB-CB 3.94Å; L462-R465 HydrophobicContact CD1-CB 3.83Å; L462-R465 PolarHBondContact O-N 3.31Å; R465-G467 PolarHBondContact O-N 3.4Å
466	G	49	Very low	81.5	Confident	4 Å²	4	53.3 Å²	53.3	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	101.7	161.1	0	0	0	0	0	110
467	G	66.8	Low	81.3	Confident	19 Å²	19	48 Å²	48	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.9	177.5	-176.9	0	0	0	0	0	112.7	L462 R465	L462-G467 PolarHBondContact N-O 3.17Å; L462-G467 VanDerWaalsContact N-O 3.16Å; R465-G467 PolarHBondContact O-N 3.4Å
468	S	81	Confident	81.1	Confident	41 Å²	41	45.5 Å²	45.5	29%	0.287	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.6	176.8	51.6	0	0	0	0	110.5	Q460	Q460-S468 CarbonylContact O-C 3.45Å; Q460-S468 WeakPolarHBondContact O-CA 3.43Å; Q460-S468 WeakPolarHBondContact O-CB 3.01Å
469	K	90.4	Very high	81	Confident	36 Å²	36	45.7 Å²	45.7	16%	0.157	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.5	165.7	61.6	170.3	175.2	-175.6	0	110	S449 L450 Q460 L462 V471 E475	S449-K469 CarbonylContact O-C 3.6Å; S449-K469 VanDerWaalsContact O-CA 3.28Å; S449-K469 WeakPolarHBondContact O-CA 3.46Å; L450-K469 HydrophobicContact CD2-CB 3.97Å; L450-K469 HydrophobicContact CG-CB 4.37Å; Q460-K469 HydrophobicContact CB-CG 4.28Å; Q460-K469 PolarHBondContact N-O 3.48Å; Q460-K469 VanDerWaalsContact NE2-CE 3.27Å; Q460-K469 PolarHBondContact O-N 3.36Å; L462-K469 HydrophobicContact CD2-CB 4.21Å; L462-K469 HydrophobicContact CD2-CD 3.89Å; L462-K469 HydrophobicContact CD2-CG 3.79Å; K469-V471 HydrophobicContact CD-CG1 4.01Å; K469-V471 HydrophobicContact CG-CG1 4.02Å; K469-E475 WeakPolarHBondContact CE-OE2 3.26Å; K469-E475 IonicContact NZ-OE1 2.94Å; K469-E475 PolarHBondContact NZ-OE1 3.05Å; K469-E475 IonicContact NZ-OE2 3.95Å; K469-E475 PolarHBondContact NZ-OE2 2.93Å
470	C	92.4	Very high	81	Confident	6 Å²	6	45.9 Å²	45.9	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128	172.8	-57.8	0	0	0	0	111.4	E438 S449 C452 C455 F458	E438-C470 HydrophobicContact CB-CB 3.72Å; E438-C470 WeakPolarHBondContact O-CB 3.14Å; S449-C470 PolarHBondContact O-N 3.23Å; C452-C470 WeakPolarHBondContact CB-SG 3.21Å; C452-C470 PolarHBondContact SG-SG 2.89Å; C455-C470 WeakPolarHBondContact CA-SG 3.45Å; C455-C470 HydrophobicContact CB-CB 3.59Å; C455-C470 WeakPolarHBondContact CB-SG 3.45Å; C455-C470 WeakPolarHBondContact SG-CA 3.01Å; C455-C470 WeakPolarHBondContact SG-CB 3.49Å; C455-C470 CovalentContact SG-SG 2.02Å; C455-C470 PolarHBondContact SG-SG 2.74Å; F458-C470 WeakPolarHBondContact O-CA 3.22Å
471	V	94	Very high	80.7	Confident	12 Å²	12	48.2 Å²	48.2	7%	0.073	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.8	179.1	-62.2	0	0	0	0	110.4	H457 F458 Q460 K469 Q473	H457-V471 WeakPolarHBondContact CB-O 3.48Å; F458-V471 HydrophobicContact CB-CG2 4.17Å; F458-V471 PolarHBondContact N-O 2.58Å; F458-V471 VanDerWaalsContact N-O 3.15Å; F458-V471 PolarHBondContact O-N 2.76Å; Q460-V471 HydrophobicContact CB-CG1 4.12Å; Q460-V471 HydrophobicContact CB-CG2 3.74Å; K469-V471 HydrophobicContact CD-CG1 4.01Å; K469-V471 HydrophobicContact CG-CG1 4.02Å; V471-Q473 WeakPolarHBondContact CB-O 3.42Å; V471-Q473 VanDerWaalsContact CG2-O 3.29Å; V471-Q473 WeakPolarHBondContact CG2-O 3.34Å
472	S	94.1	Very high	81.1	Confident	65 Å²	65	53.2 Å²	53.2	46%	0.455	28%	0.278	S	S	.	.	S	Bend	trans	-77	-24.1	173.4	54	0	0	0	0	112.9	E438 F458	E438-S472 WeakPolarHBondContact OE2-CA 3.42Å; E438-S472 PolarHBondContact OE2-N 3.37Å; F458-S472 WeakPolarHBondContact CD2-O 3.34Å; F458-S472 VanDerWaalsContact CE2-O 3.25Å; F458-S472 WeakPolarHBondContact CE2-O 3.4Å
473	Q	92.6	Very high	81.3	Confident	144 Å²	144	60.4 Å²	60.4	67%	0.673	31%	0.308	S	S	*	.	S	Bend	trans	-152.1	151.9	177	63	-173.6	11.2	0	0	109.9	V471	V471-Q473 WeakPolarHBondContact CB-O 3.42Å; V471-Q473 VanDerWaalsContact CG2-O 3.29Å; V471-Q473 WeakPolarHBondContact CG2-O 3.34Å
474	C	90.3	Very high	81.8	Confident	34 Å²	34	60.9 Å²	60.9	23%	0.23	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66.1	134.4	177.8	-57.6	0	0	0	0	111.3	C487	C474-C487 WeakPolarHBondContact CA-SG 3.23Å; C474-C487 HydrophobicContact CB-CB 3.68Å; C474-C487 WeakPolarHBondContact CB-SG 3.29Å; C474-C487 VanDerWaalsContact SG-CA 3.56Å; C474-C487 WeakPolarHBondContact SG-CB 3.47Å; C474-C487 CovalentContact SG-SG 2.03Å; C474-C487 PolarHBondContact SG-SG 3.06Å
475	E	91.3	Very high	83.2	Confident	91 Å²	91	65 Å²	65	43%	0.425	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-74.1	165.9	177	-66.9	177.4	168.4	0	0	112.1	Q460 K469 G477 Y478	Q460-E475 VanDerWaalsContact NE2-CD 3.34Å; Q460-E475 PolarHBondContact NE2-OE2 2.75Å; K469-E475 WeakPolarHBondContact CE-OE2 3.26Å; K469-E475 IonicContact NZ-OE1 2.94Å; K469-E475 PolarHBondContact NZ-OE1 3.05Å; K469-E475 IonicContact NZ-OE2 3.95Å; K469-E475 PolarHBondContact NZ-OE2 2.93Å; E475-G477 PolarHBondContact O-N 2.03Å; E475-Y478 HydrophobicContact CB-CD2 4.29Å; E475-Y478 WeakPolarHBondContact O-CB 3.5Å; E475-Y478 WeakPolarHBondContact O-CD2 3.41Å; E475-Y478 PolarHBondContact O-N 2.89Å; E475-Y478 VanDerWaalsContact O-N 3.12Å
476	L	88.5	Confident	85.1	Confident	124 Å²	124	66.5 Å²	66.5	65%	0.649	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	133.5	178.8	-78.4	168.1	0	0	0	112.4	R463 A495 T496	R463-L476 PolarHBondContact NH2-O 3.05Å; L476-A495 WeakPolarHBondContact CD2-O 3.03Å; L476-T496 HydrophobicContact CD2-CG2 4.13Å
477	G	87.4	Confident	87.1	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.01	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	32	-174.2	0	0	0	0	0	113.6	R463 E475 C490 C494 A495	R463-G477 PolarHBondContact NH2-O 2.02Å; E475-G477 PolarHBondContact O-N 2.03Å; G477-C490 PolarHBondContact O-N 2.85Å; G477-C494 VanDerWaalsContact CA-O 3.25Å; G477-C494 WeakPolarHBondContact CA-O 3.05Å; G477-A495 WeakPolarHBondContact CA-O 3.29Å; G477-A495 PolarHBondContact N-O 3.15Å
478	Y	90.9	Very high	88	Confident	21 Å²	21	66.8 Å²	66.8	8%	0.082	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	153.8	162.7	-66.5	-100.1	0	0	0	110.1	Q460 E461 R463 E475 C487 N488 L489	Q460-Y478 HydrophobicContact CG-CD1 3.92Å; Q460-Y478 HydrophobicContact CG-CE1 3.74Å; Q460-Y478 HydrophobicContact CG-CE2 4.39Å; Q460-Y478 HydrophobicContact CG-CG 4.28Å; E461-Y478 WeakPolarHBondContact O-CE1 3.47Å; E461-Y478 PolarHBondContact O-OH 2.81Å; R463-Y478 HydrophobicContact CG-CE2 3.95Å; R463-Y478 WeakPolarHBondContact CG-OH 3.24Å; R463-Y478 PolarHBondContact N-OH 3.2Å; E475-Y478 HydrophobicContact CB-CD2 4.29Å; E475-Y478 WeakPolarHBondContact O-CB 3.5Å; E475-Y478 WeakPolarHBondContact O-CD2 3.41Å; E475-Y478 PolarHBondContact O-N 2.89Å; E475-Y478 VanDerWaalsContact O-N 3.12Å; Y478-C487 HydrophobicContact CD1-CB 4.31Å; Y478-N488 CarbonylContact C-O 3.59Å; Y478-N488 WeakPolarHBondContact CA-O 2.99Å; Y478-N488 WeakPolarHBondContact CB-O 3.44Å; Y478-N488 WeakPolarHBondContact CD1-O 3.42Å; Y478-L489 HydrophobicContact CD1-CD1 4.08Å; Y478-L489 HydrophobicContact CD1-CG 4.35Å; Y478-L489 HydrophobicContact CE1-CD1 3.34Å; Y478-L489 HydrophobicContact CE1-CG 3.95Å
479	Y	90.2	Very high	88.3	Confident	48 Å²	48	67.6 Å²	67.6	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.2	171.1	72	-82.6	0	0	0	111	C487 N488 L489 C497 A500	Y479-C487 WeakPolarHBondContact O-CA 3.48Å; Y479-N488 HydrophobicContact CD1-CB 4.02Å; Y479-N488 WeakPolarHBondContact CD1-O 3Å; Y479-N488 HydrophobicContact CE1-CB 3.51Å; Y479-N488 HydrophobicContact CE2-CB 4.21Å; Y479-N488 PolarHBondContact N-O 3.12Å; Y479-N488 PolarHBondContact O-N 3.4Å; Y479-L489 WeakPolarHBondContact CE1-O 2.94Å; Y479-C497 WeakPolarHBondContact CB-O 3.43Å; Y479-C497 WeakPolarHBondContact CD1-SG 3.44Å; Y479-A500 HydrophobicContact CE1-CB 4.05Å
480	L	89.5	Confident	88.2	Confident	66 Å²	66	66.4 Å²	66.4	35%	0.346	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.4	-179.2	-179.8	60.9	0	0	0	110.6	F458 L482	F458-L480 HydrophobicContact CD1-CD1 3.56Å; F458-L480 HydrophobicContact CE1-CD1 3.69Å; F458-L480 HydrophobicContact CE1-CD2 4.1Å; F458-L480 HydrophobicContact CG-CD1 4.02Å; F458-L480 HydrophobicContact CZ-CD1 4.24Å; F458-L480 HydrophobicContact CZ-CD2 4.03Å; L480-L482 HydrophobicContact CD2-CD2 3.65Å; L480-L482 HydrophobicContact CD2-CG 4.19Å; L480-L482 HydrophobicContact CG-CD2 4.18Å; L480-L482 HydrophobicContact CG-CG 4.29Å; L480-L482 PolarHBondContact O-N 3.27Å
481	D	85.5	Confident	87.9	Confident	49 Å²	49	69 Å²	69	26%	0.262	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	101.6	161.8	-171.1	-27	0	0	0	109	K483 E484 K485 R486 N488	D481-K483 PolarHBondContact O-N 2.93Å; D481-K483 WeakPolarHBondContact OD1-CA 3.41Å; D481-K483 VanDerWaalsContact OD1-CB 3.24Å; D481-K483 WeakPolarHBondContact OD1-CB 3.38Å; D481-K483 PolarHBondContact OD1-N 3.28Å; D481-E484 PolarHBondContact O-N 3.41Å; D481-E484 PolarHBondContact OD1-N 2.89Å; D481-K485 WeakPolarHBondContact O-CA 3.42Å; D481-K485 PolarHBondContact O-N 3.32Å; D481-R486 PolarHBondContact N-O 3.38Å; D481-R486 PolarHBondContact O-N 3.13Å; D481-N488 WeakPolarHBondContact CB-ND2 3.25Å
482	L	81.9	Confident	87.4	Confident	139 Å²	139	77 Å²	77	73%	0.728	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.4	179	-75.6	168.5	0	0	0	113	L480	L480-L482 HydrophobicContact CD2-CD2 3.65Å; L480-L482 HydrophobicContact CD2-CG 4.19Å; L480-L482 HydrophobicContact CG-CD2 4.18Å; L480-L482 HydrophobicContact CG-CG 4.29Å; L480-L482 PolarHBondContact O-N 3.27Å
483	K	78.6	Confident	87	Confident	181 Å²	181	75 Å²	75	79%	0.787	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-41.4	-178.5	-168.4	-173.6	174	-168.7	0	110.6	D481	D481-K483 PolarHBondContact O-N 2.93Å; D481-K483 WeakPolarHBondContact OD1-CA 3.41Å; D481-K483 VanDerWaalsContact OD1-CB 3.24Å; D481-K483 WeakPolarHBondContact OD1-CB 3.38Å; D481-K483 PolarHBondContact OD1-N 3.28Å
484	E	78.6	Confident	86.8	Confident	105 Å²	105	68.2 Å²	68.2	49%	0.491	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-1.8	-176.6	-60.5	-60.2	143.8	0	0	113.7	D481 R486	D481-E484 PolarHBondContact O-N 3.41Å; D481-E484 PolarHBondContact OD1-N 2.89Å; E484-R486 HydrophobicContact CB-CB 4.19Å; E484-R486 HydrophobicContact CB-CG 4.25Å; E484-R486 WeakPolarHBondContact O-CG 3.24Å; E484-R486 PolarHBondContact O-N 2.74Å
485	K	86.2	Confident	86.7	Confident	128 Å²	128	67 Å²	67	56%	0.557	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	42.2	-170.2	-66.8	-171.8	174.3	-173.7	0	112.2	F458 Y459 D481	F458-K485 WeakPolarHBondContact CA-O 3.46Å; F458-K485 HydrophobicContact CD1-CB 4.16Å; Y459-K485 PolarHBondContact N-O 3.01Å; Y459-K485 VanDerWaalsContact N-O 3.11Å; D481-K485 WeakPolarHBondContact O-CA 3.42Å; D481-K485 PolarHBondContact O-N 3.32Å
486	R	88.9	Confident	86.6	Confident	82 Å²	82	65.4 Å²	65.4	31%	0.309	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.8	-175	-81.4	175	-169.6	-120.9	3	111.7	Y459 D481 E484	Y459-R486 CarbonylContact O-C 3.57Å; Y459-R486 VanDerWaalsContact O-CA 3.26Å; Y459-R486 WeakPolarHBondContact O-CA 3.01Å; D481-R486 PolarHBondContact N-O 3.38Å; D481-R486 PolarHBondContact O-N 3.13Å; E484-R486 HydrophobicContact CB-CB 4.19Å; E484-R486 HydrophobicContact CB-CG 4.25Å; E484-R486 WeakPolarHBondContact O-CG 3.24Å; E484-R486 PolarHBondContact O-N 2.74Å
487	C	90.8	Very high	86.6	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.4	169	-58.8	0	0	0	0	108.8	Y459 Q460 E461 C474 Y478 Y479	Y459-C487 PolarHBondContact O-N 2.64Å; Q460-C487 HydrophobicContact CB-CB 3.77Å; Q460-C487 HydrophobicContact CG-CB 3.7Å; E461-C487 PolarHBondContact N-O 2.89Å; C474-C487 WeakPolarHBondContact CA-SG 3.23Å; C474-C487 HydrophobicContact CB-CB 3.68Å; C474-C487 WeakPolarHBondContact CB-SG 3.29Å; C474-C487 VanDerWaalsContact SG-CA 3.56Å; C474-C487 WeakPolarHBondContact SG-CB 3.47Å; C474-C487 CovalentContact SG-SG 2.03Å; C474-C487 PolarHBondContact SG-SG 3.06Å; Y478-C487 HydrophobicContact CD1-CB 4.31Å; Y479-C487 WeakPolarHBondContact O-CA 3.48Å
488	N	85.7	Confident	86.5	Confident	30 Å²	30	63.8 Å²	63.8	16%	0.16	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	152	-178.4	-67.5	-34.3	0	0	0	110.7	Y478 Y479 D481	Y478-N488 CarbonylContact C-O 3.59Å; Y478-N488 WeakPolarHBondContact CA-O 2.99Å; Y478-N488 WeakPolarHBondContact CB-O 3.44Å; Y478-N488 WeakPolarHBondContact CD1-O 3.42Å; Y479-N488 HydrophobicContact CD1-CB 4.02Å; Y479-N488 WeakPolarHBondContact CD1-O 3Å; Y479-N488 HydrophobicContact CE1-CB 3.51Å; Y479-N488 HydrophobicContact CE2-CB 4.21Å; Y479-N488 PolarHBondContact N-O 3.12Å; Y479-N488 PolarHBondContact O-N 3.4Å; D481-N488 WeakPolarHBondContact CB-ND2 3.25Å
489	L	86.6	Confident	86.2	Confident	57 Å²	57	64.4 Å²	64.4	30%	0.298	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	140.6	-179.2	-102	87.7	0	0	0	112.4	R463 Y478 Y479	R463-L489 HydrophobicContact CB-CD2 4.49Å; R463-L489 HydrophobicContact CG-CD1 4.14Å; R463-L489 HydrophobicContact CG-CD2 4.04Å; R463-L489 HydrophobicContact CG-CG 4.23Å; Y478-L489 HydrophobicContact CD1-CD1 4.08Å; Y478-L489 HydrophobicContact CD1-CG 4.35Å; Y478-L489 HydrophobicContact CE1-CD1 3.34Å; Y478-L489 HydrophobicContact CE1-CG 3.95Å; Y479-L489 WeakPolarHBondContact CE1-O 2.94Å
490	C	88.9	Confident	85.7	Confident	11 Å²	11	64.8 Å²	64.8	7%	0.074	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-74.9	168.7	161.5	-62.7	0	0	0	0	112.1	G477 C494 C497	G477-C490 PolarHBondContact O-N 2.85Å; C490-C494 HydrophobicContact CB-CB 3.64Å; C490-C497 WeakPolarHBondContact CA-SG 3.34Å; C490-C497 HydrophobicContact CB-CB 3.73Å; C490-C497 WeakPolarHBondContact CB-SG 3.08Å; C490-C497 WeakPolarHBondContact SG-CB 2.93Å; C490-C497 PolarHBondContact SG-N 3.39Å; C490-C497 VanDerWaalsContact SG-N 3.4Å; C490-C497 CovalentContact SG-SG 2.02Å; C490-C497 PolarHBondContact SG-SG 2.81Å
491	L	84.6	Confident	85.4	Confident	62 Å²	62	64.2 Å²	64.2	33%	0.325	34%	0.339	S	S	.	.	S	Bend	trans	-52.7	152.7	166.3	-78.8	173.2	0	0	0	111.9	G493 C494 A500 A501	L491-G493 PolarHBondContact O-N 2.71Å; L491-C494 HydrophobicContact CB-CB 4.49Å; L491-C494 WeakPolarHBondContact O-CB 3.37Å; L491-C494 PolarHBondContact O-N 2.02Å; L491-A500 WeakPolarHBondContact CG-O 3.25Å; L491-A501 VanDerWaalsContact CD1-O 3.25Å; L491-A501 WeakPolarHBondContact CD1-O 3.25Å
492	R	83.7	Confident	85.4	Confident	180 Å²	180	66 Å²	66	68%	0.679	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	135.6	177.1	-171	-179.6	-176.8	177.1	5.2	110.8	C494	R492-C494 PolarHBondContact O-N 2.96Å
493	G	86	Confident	85.7	Confident	22 Å²	22	59.7 Å²	59.7	23%	0.227	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-1.5	-179.3	0	0	0	0	0	114.6	L491 M507	L491-G493 PolarHBondContact O-N 2.71Å; G493-M507 WeakPolarHBondContact O-CB 3.44Å; G493-M507 PolarHBondContact O-N 2.02Å
494	C	89	Confident	86.2	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.3	-178.8	-166	0	0	0	0	112.7	G477 C490 L491 R492 T496 C503 M507	G477-C494 VanDerWaalsContact CA-O 3.25Å; G477-C494 WeakPolarHBondContact CA-O 3.05Å; C490-C494 HydrophobicContact CB-CB 3.64Å; L491-C494 HydrophobicContact CB-CB 4.49Å; L491-C494 WeakPolarHBondContact O-CB 3.37Å; L491-C494 PolarHBondContact O-N 2.02Å; R492-C494 PolarHBondContact O-N 2.96Å; C494-T496 VanDerWaalsContact SG-C 3.52Å; C494-T496 PolarHBondContact SG-O 2.02Å; C494-C503 WeakPolarHBondContact CA-SG 3.41Å; C494-C503 HydrophobicContact CB-CB 3.82Å; C494-C503 WeakPolarHBondContact CB-SG 3.2Å; C494-C503 WeakPolarHBondContact SG-CA 3.34Å; C494-C503 WeakPolarHBondContact SG-CB 2.98Å; C494-C503 CovalentContact SG-SG 2.02Å; C494-C503 PolarHBondContact SG-SG 3.4Å; C494-M507 VanDerWaalsContact O-CE 3.23Å; C494-M507 WeakPolarHBondContact O-CE 3.47Å
495	A	87.8	Confident	86.7	Confident	9 Å²	9	50.8 Å²	50.8	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-39.4	175	0	0	0	0	0	112.3	L476 G477 T505 M507	L476-A495 WeakPolarHBondContact CD2-O 3.03Å; G477-A495 WeakPolarHBondContact CA-O 3.29Å; G477-A495 PolarHBondContact N-O 3.15Å; A495-T505 WeakPolarHBondContact CA-O 3.29Å; A495-T505 PolarHBondContact N-O 2.91Å; A495-M507 HydrophobicContact CB-CG 3.89Å
496	T	89.6	Confident	86.7	Confident	56 Å²	56	44.7 Å²	44.7	34%	0.344	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.9	171.4	64.3	0	0	0	0	110.3	L476 C494 D504 T505	L476-T496 HydrophobicContact CD2-CG2 4.13Å; C494-T496 VanDerWaalsContact SG-C 3.52Å; C494-T496 PolarHBondContact SG-O 2.02Å; T496-D504 WeakPolarHBondContact O-CA 3.13Å; T496-D504 WeakPolarHBondContact O-CB 3.18Å; T496-D504 PolarHBondContact O-N 3.5Å; T496-T505 PolarHBondContact N-O 3.44Å; T496-T505 PolarHBondContact N-OG1 3.17Å; T496-T505 PolarHBondContact O-N 3.34Å; T496-T505 VanDerWaalsContact O-N 3.09Å; T496-T505 PolarHBondContact OG1-OG1 2.83Å
497	C	89.4	Confident	86.6	Confident	11 Å²	11	43.8 Å²	43.8	7%	0.074	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.8	176.5	65.1	0	0	0	0	111	Y479 C490 F502 D504	Y479-C497 WeakPolarHBondContact CB-O 3.43Å; Y479-C497 WeakPolarHBondContact CD1-SG 3.44Å; C490-C497 WeakPolarHBondContact CA-SG 3.34Å; C490-C497 HydrophobicContact CB-CB 3.73Å; C490-C497 WeakPolarHBondContact CB-SG 3.08Å; C490-C497 WeakPolarHBondContact SG-CB 2.93Å; C490-C497 PolarHBondContact SG-N 3.39Å; C490-C497 VanDerWaalsContact SG-N 3.4Å; C490-C497 CovalentContact SG-SG 2.02Å; C490-C497 PolarHBondContact SG-SG 2.81Å; C497-F502 WeakPolarHBondContact CB-O 3.29Å; C497-D504 VanDerWaalsContact CA-OD2 3.23Å; C497-D504 WeakPolarHBondContact CA-OD2 3.47Å
498	S	84	Confident	86.1	Confident	80 Å²	80	48.5 Å²	48.5	56%	0.559	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	-14.8	175.5	47.1	0	0	0	0	112.1	D504	S498-D504 PolarHBondContact N-OD2 3.48Å; S498-D504 PolarHBondContact OG-OD1 2.79Å
499	S	84	Confident	86	Confident	35 Å²	35	50.1 Å²	50.1	25%	0.245	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	168.6	176	70.3	0	0	0	0	111.5	A501 F502	S499-A501 PolarHBondContact O-N 3.42Å; S499-A501 VanDerWaalsContact O-N 3.12Å; S499-A501 PolarHBondContact OG-N 3.32Å; S499-F502 PolarHBondContact OG-N 3.12Å
500	A	81	Confident	86	Confident	55 Å²	55	48.9 Å²	48.9	46%	0.455	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.8	173.7	0	0	0	0	0	114.3	Y479 L491	Y479-A500 HydrophobicContact CE1-CB 4.05Å; L491-A500 WeakPolarHBondContact CG-O 3.25Å
501	A	82.2	Confident	85.9	Confident	55 Å²	55	50.6 Å²	50.6	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-18	-173.6	0	0	0	0	0	114.4	L491 S499	L491-A501 VanDerWaalsContact CD1-O 3.25Å; L491-A501 WeakPolarHBondContact CD1-O 3.25Å; S499-A501 PolarHBondContact O-N 3.42Å; S499-A501 VanDerWaalsContact O-N 3.12Å; S499-A501 PolarHBondContact OG-N 3.32Å
502	F	85.2	Confident	86.1	Confident	85 Å²	85	48.1 Å²	48.1	37%	0.373	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127	-172.4	-57.9	-72.1	0	0	0	111	C497 S499 H522	C497-F502 WeakPolarHBondContact CB-O 3.29Å; S499-F502 PolarHBondContact OG-N 3.12Å; F502-H522 AromaticContact CD1-CD2 3.97Å
503	C	89.8	Confident	86.2	Confident	7 Å²	7	39.8 Å²	39.8	5%	0.047	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	135.7	172.3	-166.7	0	0	0	0	111.4	C494 T505 L512 G523 C525	C494-C503 WeakPolarHBondContact CA-SG 3.41Å; C494-C503 HydrophobicContact CB-CB 3.82Å; C494-C503 WeakPolarHBondContact CB-SG 3.2Å; C494-C503 WeakPolarHBondContact SG-CA 3.34Å; C494-C503 WeakPolarHBondContact SG-CB 2.98Å; C494-C503 CovalentContact SG-SG 2.02Å; C494-C503 PolarHBondContact SG-SG 3.4Å; C503-T505 PolarHBondContact SG-O 2.81Å; C503-L512 HydrophobicContact CB-CD1 3.92Å; C503-L512 WeakPolarHBondContact O-CD1 3.5Å; C503-G523 WeakPolarHBondContact CA-O 3.25Å; C503-G523 WeakPolarHBondContact CB-O 3.35Å; C503-G523 PolarHBondContact N-O 3.44Å; C503-C525 PolarHBondContact SG-SG 2.92Å
504	D	87.8	Confident	86.2	Confident	73 Å²	73	40 Å²	40	39%	0.39	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-37.7	174.8	-55.3	-37.2	0	0	0	110.7	T496 C497 S498 L512	T496-D504 WeakPolarHBondContact O-CA 3.13Å; T496-D504 WeakPolarHBondContact O-CB 3.18Å; T496-D504 PolarHBondContact O-N 3.5Å; C497-D504 VanDerWaalsContact CA-OD2 3.23Å; C497-D504 WeakPolarHBondContact CA-OD2 3.47Å; S498-D504 PolarHBondContact N-OD2 3.48Å; S498-D504 PolarHBondContact OG-OD1 2.79Å; D504-L512 VanDerWaalsContact O-CD2 3.26Å; D504-L512 WeakPolarHBondContact O-CD2 3.42Å
505	T	89	Confident	85.5	Confident	27 Å²	27	40.4 Å²	40.4	17%	0.166	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.5	175.8	67.6	0	0	0	0	112.2	A495 T496 C503	A495-T505 WeakPolarHBondContact CA-O 3.29Å; A495-T505 PolarHBondContact N-O 2.91Å; T496-T505 PolarHBondContact N-O 3.44Å; T496-T505 PolarHBondContact N-OG1 3.17Å; T496-T505 PolarHBondContact O-N 3.34Å; T496-T505 VanDerWaalsContact O-N 3.09Å; T496-T505 PolarHBondContact OG1-OG1 2.83Å; C503-T505 PolarHBondContact SG-O 2.81Å
506	C	87.6	Confident	84.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	148.4	-179	-61.5	0	0	0	0	112.7	S508 L510 L512 C525 H557	C506-S508 PolarHBondContact O-N 3.36Å; C506-L510 HydrophobicContact CB-CB 3.88Å; C506-L510 WeakPolarHBondContact CB-O 2.98Å; C506-L512 WeakPolarHBondContact SG-CA 3.44Å; C506-L512 VanDerWaalsContact SG-CB 3.52Å; C506-C525 WeakPolarHBondContact CA-SG 3.45Å; C506-C525 HydrophobicContact CB-CB 3.71Å; C506-C525 WeakPolarHBondContact CB-SG 3.2Å; C506-C525 WeakPolarHBondContact SG-CA 3.3Å; C506-C525 WeakPolarHBondContact SG-CB 3.49Å; C506-C525 CovalentContact SG-SG 2.02Å; C506-C525 PolarHBondContact SG-SG 3.49Å; C506-H557 PolarHBondContact O-CE1 2.96Å; C506-H557 PolarHBondContact O-ND1 2.78Å
507	M	85.8	Confident	83.6	Confident	63 Å²	63	43.8 Å²	43.8	31%	0.31	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-61.8	133.8	168.1	-64.8	-173.8	175.5	0	0	109.4	G493 C494 A495 L510	G493-M507 WeakPolarHBondContact O-CB 3.44Å; G493-M507 PolarHBondContact O-N 2.02Å; C494-M507 VanDerWaalsContact O-CE 3.23Å; C494-M507 WeakPolarHBondContact O-CE 3.47Å; A495-M507 HydrophobicContact CB-CG 3.89Å; M507-L510 VanDerWaalsContact O-CB 3.29Å; M507-L510 WeakPolarHBondContact O-CB 3.42Å; M507-L510 WeakPolarHBondContact O-CG 3.42Å; M507-L510 PolarHBondContact O-N 3.18Å
508	S	80	Confident	82.5	Confident	99 Å²	99	51.9 Å²	51.9	69%	0.692	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	136.3	175.8	-170.7	0	0	0	0	110.3	C506	C506-S508 PolarHBondContact O-N 3.36Å
509	P	83.8	Confident	81.8	Confident	64 Å²	64	50.2 Å²	50.2	42%	0.416	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	cis	-100.5	23.8	9.1	39	-34.8	0	0	0	115.3	Y175	Y175-P509 HydrophobicContact CD1-CG 3.8Å; Y175-P509 HydrophobicContact CE1-CG 3.65Å
510	L	86.2	Confident	81.3	Confident	30 Å²	30	56 Å²	56	16%	0.157	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-72.3	147.7	-174.1	-58.1	173	0	0	0	112.8	C506 M507 C525 E526 T527 P558	C506-L510 HydrophobicContact CB-CB 3.88Å; C506-L510 WeakPolarHBondContact CB-O 2.98Å; M507-L510 VanDerWaalsContact O-CB 3.29Å; M507-L510 WeakPolarHBondContact O-CB 3.42Å; M507-L510 WeakPolarHBondContact O-CG 3.42Å; M507-L510 PolarHBondContact O-N 3.18Å; L510-C525 HydrophobicContact CB-CB 4.1Å; L510-C525 HydrophobicContact CD1-CB 3.91Å; L510-E526 CarbonylContact C-O 3.32Å; L510-E526 WeakPolarHBondContact CA-O 3.39Å; L510-T527 HydrophobicContact CD2-CG2 3.61Å; L510-P558 WeakPolarHBondContact O-CG 3.41Å
511	Y	87.9	Confident	81.2	Confident	47 Å²	47	55.3 Å²	55.3	18%	0.184	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.3	174.4	-64.6	-101.7	0	0	0	111.3	C525 E526 P535 L537 P558 C560	Y511-C525 WeakPolarHBondContact O-CA 3.21Å; Y511-E526 PolarHBondContact N-O 3.07Å; Y511-E526 PolarHBondContact O-N 3.08Å; Y511-P535 HydrophobicContact CD1-CB 4.17Å; Y511-P535 HydrophobicContact CE1-CB 3.5Å; Y511-P535 VanDerWaalsContact CE1-CB 3.5Å; Y511-L537 HydrophobicContact CE1-CD2 4.31Å; Y511-P558 WeakPolarHBondContact CA-O 2.96Å; Y511-P558 HydrophobicContact CD1-CB 3.59Å; Y511-P558 HydrophobicContact CD1-CG 4.16Å; Y511-P558 HydrophobicContact CE1-CB 3.56Å; Y511-P558 HydrophobicContact CE1-CG 4.27Å; Y511-P558 HydrophobicContact CG-CB 4.25Å; Y511-P558 HydrophobicContact CG-CG 4.34Å; Y511-C560 WeakPolarHBondContact CB-SG 3.42Å
512	L	88.9	Confident	81.3	Confident	11 Å²	11	55 Å²	55	6%	0.058	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.1	170.4	-176.5	69.4	0	0	0	110.9	C503 D504 C506 V514 P558 K559 C560	C503-L512 HydrophobicContact CB-CD1 3.92Å; C503-L512 WeakPolarHBondContact O-CD1 3.5Å; D504-L512 VanDerWaalsContact O-CD2 3.26Å; D504-L512 WeakPolarHBondContact O-CD2 3.42Å; C506-L512 WeakPolarHBondContact SG-CA 3.44Å; C506-L512 VanDerWaalsContact SG-CB 3.52Å; L512-V514 HydrophobicContact CD2-CG2 4.21Å; L512-V514 HydrophobicContact CG-CG2 4.3Å; L512-V514 PolarHBondContact O-N 2.74Å; L512-P558 PolarHBondContact N-O 2.67Å; L512-K559 HydrophobicContact CB-CG 4.34Å; L512-K559 CarbonylContact O-C 3.52Å; L512-K559 WeakPolarHBondContact O-CA 3.26Å; L512-C560 PolarHBondContact O-N 3.05Å
513	I	86.1	Confident	81.3	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.1	173.7	-60.8	174.5	0	0	0	110	S521 G523 K524 E526 P530 F533 C560	I513-S521 WeakPolarHBondContact CB-O 3.48Å; I513-S521 WeakPolarHBondContact CG2-O 3.43Å; I513-G523 PolarHBondContact O-N 3.22Å; I513-K524 HydrophobicContact CD1-CB 4.43Å; I513-K524 PolarHBondContact N-O 2.88Å; I513-E526 HydrophobicContact CD1-CB 4.46Å; I513-E526 HydrophobicContact CD1-CG 3.68Å; I513-E526 HydrophobicContact CG1-CG 4.42Å; I513-P530 HydrophobicContact CD1-CG 3.87Å; I513-P530 HydrophobicContact CG1-CG 4.42Å; I513-F533 HydrophobicContact CG2-CD1 4.4Å; I513-F533 HydrophobicContact CG2-CE1 3.97Å; I513-F533 HydrophobicContact CG2-CZ 4.27Å; I513-C560 HydrophobicContact CG1-CB 4.37Å
514	V	84.5	Confident	81.3	Confident	28 Å²	28	55 Å²	55	17%	0.17	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	97.1	176	-174.3	0	0	0	0	109.8	L512 K559 C560 L574	L512-V514 HydrophobicContact CD2-CG2 4.21Å; L512-V514 HydrophobicContact CG-CG2 4.3Å; L512-V514 PolarHBondContact O-N 2.74Å; V514-K559 HydrophobicContact CG2-CB 4.47Å; V514-K559 HydrophobicContact CG2-CD 4Å; V514-C560 PolarHBondContact N-O 3.26Å; V514-L574 HydrophobicContact CG1-CD2 4.33Å
515	S	74.5	Confident	81.4	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.063	29%	0.287	C	S	.	.			trans	-125.4	-161.6	178.8	53.7	0	0	0	0	112.2	D519 H522	S515-D519 WeakPolarHBondContact OG-CB 3.33Å; S515-H522 VanDerWaalsContact C-ND1 3.34Å; S515-H522 PolarHBondContact N-ND1 2.9Å; S515-H522 VanDerWaalsContact N-ND1 3.2Å; S515-H522 PolarHBondContact O-CE1 2.98Å; S515-H522 VanDerWaalsContact O-CE1 3.23Å; S515-H522 PolarHBondContact O-ND1 3.47Å; S515-H522 WeakPolarHBondContact OG-CA 3.47Å; S515-H522 WeakPolarHBondContact OG-CB 3.23Å; S515-H522 PolarHBondContact OG-N 2.92Å
516	D	68.9	Low	81.4	Confident	48 Å²	48	55.1 Å²	55.1	26%	0.257	30%	0.298	S	S	.	.			trans	-65.2	141.5	170.5	-156.8	-78.7	0	0	0	109.9	E518 D519 H522 P576	D516-E518 PolarHBondContact O-N 3.09Å; D516-E518 VanDerWaalsContact O-N 3.11Å; D516-E518 WeakPolarHBondContact OD1-CB 3.02Å; D516-E518 PolarHBondContact OD1-N 2.92Å; D516-D519 HydrophobicContact CB-CB 4.45Å; D516-D519 WeakPolarHBondContact O-CB 3.49Å; D516-D519 PolarHBondContact O-N 3.36Å; D516-H522 VanDerWaalsContact O-CB 3.31Å; D516-H522 WeakPolarHBondContact O-CB 3.35Å; D516-P576 HydrophobicContact CB-CG 3.49Å; D516-P576 VanDerWaalsContact CB-CG 3.49Å
517	P	69.3	Low	81.3	Confident	89 Å²	89	59.4 Å²	59.4	58%	0.578	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.8	170.3	-26.8	35.5	0	0	0	115	D519	P517-D519 VanDerWaalsContact C-N 3.34Å
518	E	65.8	Low	81.3	Confident	181 Å²	181	61.6 Å²	61.6	85%	0.846	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-12.7	172.9	-66.1	-173.7	-179.7	0	0	113.7	D516	D516-E518 PolarHBondContact O-N 3.09Å; D516-E518 VanDerWaalsContact O-N 3.11Å; D516-E518 WeakPolarHBondContact OD1-CB 3.02Å; D516-E518 PolarHBondContact OD1-N 2.92Å
519	D	70	Confident	81.4	Confident	45 Å²	45	57.8 Å²	57.8	24%	0.241	31%	0.31	C	S	.	.	S	Bend	trans	-75.5	127	176.2	-171.2	-35.7	0	0	0	110.3	S515 D516 P517 S521 H522	S515-D519 WeakPolarHBondContact OG-CB 3.33Å; D516-D519 HydrophobicContact CB-CB 4.45Å; D516-D519 WeakPolarHBondContact O-CB 3.49Å; D516-D519 PolarHBondContact O-N 3.36Å; P517-D519 VanDerWaalsContact C-N 3.34Å; D519-S521 PolarHBondContact O-N 3.31Å; D519-S521 VanDerWaalsContact OD1-CB 3.25Å; D519-S521 WeakPolarHBondContact OD1-CB 3.39Å; D519-S521 PolarHBondContact OD1-N 2.87Å; D519-S521 PolarHBondContact OD1-OG 2.82Å; D519-H522 HydrophobicContact CB-CB 4.5Å; D519-H522 VanDerWaalsContact O-CB 3.3Å; D519-H522 WeakPolarHBondContact O-CB 3.37Å; D519-H522 PolarHBondContact O-N 2.94Å
520	L	73.5	Confident	81.2	Confident	155 Å²	155	57 Å²	57	81%	0.812	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-14.7	178.1	-69.6	167.5	0	0	0	114.2	K524	L520-K524 WeakPolarHBondContact O-CE 3.31Å; L520-K524 PolarHBondContact O-NZ 3.11Å
521	S	78.9	Confident	80.6	Confident	42 Å²	42	64.7 Å²	64.7	29%	0.294	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-13.8	179.7	-36.7	0	0	0	0	112.6	I513 D519 G523 K524	I513-S521 WeakPolarHBondContact CB-O 3.48Å; I513-S521 WeakPolarHBondContact CG2-O 3.43Å; D519-S521 PolarHBondContact O-N 3.31Å; D519-S521 VanDerWaalsContact OD1-CB 3.25Å; D519-S521 WeakPolarHBondContact OD1-CB 3.39Å; D519-S521 PolarHBondContact OD1-N 2.87Å; D519-S521 PolarHBondContact OD1-OG 2.82Å; S521-G523 PolarHBondContact O-N 3Å; S521-K524 PolarHBondContact O-N 2.79Å
522	H	83.8	Confident	79.7	Confident	48 Å²	48	63.9 Å²	63.9	22%	0.222	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	134.4	-178.6	-173.6	84.5	0	0	0	111.3	F502 S515 D516 D519 K524	F502-H522 AromaticContact CD1-CD2 3.97Å; S515-H522 VanDerWaalsContact C-ND1 3.34Å; S515-H522 PolarHBondContact N-ND1 2.9Å; S515-H522 VanDerWaalsContact N-ND1 3.2Å; S515-H522 PolarHBondContact O-CE1 2.98Å; S515-H522 VanDerWaalsContact O-CE1 3.23Å; S515-H522 PolarHBondContact O-ND1 3.47Å; S515-H522 WeakPolarHBondContact OG-CA 3.47Å; S515-H522 WeakPolarHBondContact OG-CB 3.23Å; S515-H522 PolarHBondContact OG-N 2.92Å; D516-H522 VanDerWaalsContact O-CB 3.31Å; D516-H522 WeakPolarHBondContact O-CB 3.35Å; D519-H522 HydrophobicContact CB-CB 4.5Å; D519-H522 VanDerWaalsContact O-CB 3.3Å; D519-H522 WeakPolarHBondContact O-CB 3.37Å; D519-H522 PolarHBondContact O-N 2.94Å; H522-K524 VanDerWaalsContact C-N 3.26Å; H522-K524 PolarHBondContact O-N 2.99Å
523	G	85.9	Confident	79.1	Confident	3 Å²	3	64.9 Å²	64.9	3%	0.031	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	16.5	176.3	0	0	0	0	0	114.3	C503 I513 S521	C503-G523 WeakPolarHBondContact CA-O 3.25Å; C503-G523 WeakPolarHBondContact CB-O 3.35Å; C503-G523 PolarHBondContact N-O 3.44Å; I513-G523 PolarHBondContact O-N 3.22Å; S521-G523 PolarHBondContact O-N 3Å
524	K	89.4	Confident	78.7	Confident	90 Å²	90	67.4 Å²	67.4	39%	0.391	36%	0.361	S	S	.	.			trans	-96	153.8	170.1	-68.3	-177.9	178.2	162.4	0	111.7	I513 L520 S521 H522	I513-K524 HydrophobicContact CD1-CB 4.43Å; I513-K524 PolarHBondContact N-O 2.88Å; L520-K524 WeakPolarHBondContact O-CE 3.31Å; L520-K524 PolarHBondContact O-NZ 3.11Å; S521-K524 PolarHBondContact O-N 2.79Å; H522-K524 VanDerWaalsContact C-N 3.26Å; H522-K524 PolarHBondContact O-N 2.99Å
525	C	89.7	Confident	78.5	Confident	17 Å²	17	68.7 Å²	68.7	12%	0.115	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.3	177.9	-64	0	0	0	0	110.1	C503 C506 L510 Y511	C503-C525 PolarHBondContact SG-SG 2.92Å; C506-C525 WeakPolarHBondContact CA-SG 3.45Å; C506-C525 HydrophobicContact CB-CB 3.71Å; C506-C525 WeakPolarHBondContact CB-SG 3.2Å; C506-C525 WeakPolarHBondContact SG-CA 3.3Å; C506-C525 WeakPolarHBondContact SG-CB 3.49Å; C506-C525 CovalentContact SG-SG 2.02Å; C506-C525 PolarHBondContact SG-SG 3.49Å; L510-C525 HydrophobicContact CB-CB 4.1Å; L510-C525 HydrophobicContact CD1-CB 3.91Å; Y511-C525 WeakPolarHBondContact O-CA 3.21Å
526	E	89	Confident	78.5	Confident	85 Å²	85	68.9 Å²	68.9	40%	0.397	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.9	-177.2	-68.4	-62.4	166.6	0	0	111.7	L510 Y511 I513 D528	L510-E526 CarbonylContact C-O 3.32Å; L510-E526 WeakPolarHBondContact CA-O 3.39Å; Y511-E526 PolarHBondContact N-O 3.07Å; Y511-E526 PolarHBondContact O-N 3.08Å; I513-E526 HydrophobicContact CD1-CB 4.46Å; I513-E526 HydrophobicContact CD1-CG 3.68Å; I513-E526 HydrophobicContact CG1-CG 4.42Å; E526-D528 VanDerWaalsContact C-N 3.31Å; E526-D528 WeakPolarHBondContact CB-O 3.13Å
527	T	85.6	Confident	78.3	Confident	90 Å²	90	70.5 Å²	70.5	55%	0.552	38%	0.378	S	S	*	.	S	Bend	trans	-72.6	-25.2	178.9	50.5	0	0	0	0	113.1	L510	L510-T527 HydrophobicContact CD2-CG2 3.61Å
528	D	85	Confident	77.9	Confident	109 Å²	109	73 Å²	73	58%	0.583	38%	0.376	S	S	*	.	S	Bend	trans	-146.1	163	177.6	-158.2	-4.1	0	0	0	110.3	E526	E526-D528 VanDerWaalsContact C-N 3.31Å; E526-D528 WeakPolarHBondContact CB-O 3.13Å
529	C	82.6	Confident	77.1	Confident	19 Å²	19	68.2 Å²	68.2	13%	0.128	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-74.8	126.1	179	-65.4	0	0	0	0	111.7	F533 F534 P535 C560	C529-F533 HydrophobicContact CB-CB 3.99Å; C529-F534 VanDerWaalsContact SG-C 3.52Å; C529-P535 VanDerWaalsContact SG-CA 3.52Å; C529-P535 VanDerWaalsContact SG-N 3.36Å; C529-C560 WeakPolarHBondContact CA-SG 3.33Å; C529-C560 HydrophobicContact CB-CB 3.81Å; C529-C560 WeakPolarHBondContact CB-SG 3.44Å; C529-C560 WeakPolarHBondContact SG-CA 3.03Å; C529-C560 WeakPolarHBondContact SG-CB 3.44Å; C529-C560 CovalentContact SG-SG 2.03Å; C529-C560 PolarHBondContact SG-SG 2.75Å
530	P	80.1	Confident	76	Confident	46 Å²	46	73 Å²	73	30%	0.299	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-65.3	162.7	179.5	25.3	-31.7	0	0	0	111.4	I513 G532 F533	I513-P530 HydrophobicContact CD1-CG 3.87Å; I513-P530 HydrophobicContact CG1-CG 4.42Å; P530-G532 PolarHBondContact O-N 3.5Å; P530-G532 VanDerWaalsContact O-N 3.17Å; P530-F533 HydrophobicContact CB-CD2 4.45Å; P530-F533 HydrophobicContact CG-CB 4.39Å; P530-F533 HydrophobicContact CG-CD2 3.69Å; P530-F533 HydrophobicContact CG-CE2 4.24Å; P530-F533 HydrophobicContact CG-CG 4.15Å; P530-F533 WeakPolarHBondContact O-CB 3.02Å; P530-F533 PolarHBondContact O-N 2.93Å
531	E	73.5	Confident	74.3	Confident	193 Å²	193	72.2 Å²	72.2	90%	0.902	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	123.6	-176.2	-165.6	-175.8	172.3	0	0	111.6
532	G	69.1	Low	72.4	Confident	29 Å²	29	73.3 Å²	73.3	30%	0.299	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-14.8	-175.2	0	0	0	0	0	116.1	P530 M562	P530-G532 PolarHBondContact O-N 3.5Å; P530-G532 VanDerWaalsContact O-N 3.17Å; G532-M562 WeakPolarHBondContact O-CG 3.17Å
533	F	76.7	Confident	70.1	Confident	32 Å²	32	80.4 Å²	80.4	14%	0.14	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	155.3	173	-64.1	-103.6	0	0	0	109.7	I513 C529 P530 C560 R561 M562	I513-F533 HydrophobicContact CG2-CD1 4.4Å; I513-F533 HydrophobicContact CG2-CE1 3.97Å; I513-F533 HydrophobicContact CG2-CZ 4.27Å; C529-F533 HydrophobicContact CB-CB 3.99Å; P530-F533 HydrophobicContact CB-CD2 4.45Å; P530-F533 HydrophobicContact CG-CB 4.39Å; P530-F533 HydrophobicContact CG-CD2 3.69Å; P530-F533 HydrophobicContact CG-CE2 4.24Å; P530-F533 HydrophobicContact CG-CG 4.15Å; P530-F533 WeakPolarHBondContact O-CB 3.02Å; P530-F533 PolarHBondContact O-N 2.93Å; F533-C560 HydrophobicContact CB-CB 4.04Å; F533-C560 HydrophobicContact CD1-CB 4.41Å; F533-R561 CarbonylContact C-O 3.45Å; F533-R561 WeakPolarHBondContact CA-O 3.45Å; F533-M562 HydrophobicContact CD1-CB 4.16Å; F533-M562 HydrophobicContact CE1-CB 4.05Å
534	F	76.9	Confident	67.7	Low	58 Å²	58	87.4 Å²	87.4	25%	0.254	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.5	174.4	66.7	-84.4	0	0	0	109.6	C529 D536 R561 M562 R563	C529-F534 VanDerWaalsContact SG-C 3.52Å; F534-D536 HydrophobicContact CE2-CB 4.39Å; F534-D536 PolarHBondContact O-N 3.02Å; F534-R561 WeakPolarHBondContact CD1-O 3.04Å; F534-R561 HydrophobicContact CE1-CB 3.94Å; F534-R561 VanDerWaalsContact CE1-O 3.27Å; F534-R561 WeakPolarHBondContact CE1-O 3.45Å; F534-R561 HydrophobicContact CE2-CB 4.43Å; F534-R561 HydrophobicContact CZ-CB 3.89Å; F534-R561 PolarHBondContact N-O 3.26Å; F534-R561 PolarHBondContact O-N 3.37Å; F534-M562 VanDerWaalsContact CE1-C 3.5Å; F534-R563 HydrophobicContact CD1-CB 4.22Å; F534-R563 HydrophobicContact CD1-CG 3.49Å; F534-R563 VanDerWaalsContact CD1-CG 3.49Å; F534-R563 HydrophobicContact CE1-CB 4.12Å; F534-R563 HydrophobicContact CE1-CG 3.47Å; F534-R563 VanDerWaalsContact CE1-CG 3.47Å; F534-R563 HydrophobicContact CG-CG 4.36Å; F534-R563 HydrophobicContact CZ-CG 4.33Å
535	P	79.4	Confident	64.8	Low	55 Å²	55	91.2 Å²	91.2	36%	0.357	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	118.7	175.3	26.3	-32.5	0	0	0	109.7	Y511 C529 L537	Y511-P535 HydrophobicContact CD1-CB 4.17Å; Y511-P535 HydrophobicContact CE1-CB 3.5Å; Y511-P535 VanDerWaalsContact CE1-CB 3.5Å; C529-P535 VanDerWaalsContact SG-CA 3.52Å; C529-P535 VanDerWaalsContact SG-N 3.36Å; P535-L537 HydrophobicContact CB-CG 4.44Å; P535-L537 PolarHBondContact O-N 2.03Å
536	D	74.6	Confident	62	Low	13 Å²	13	98.1 Å²	98.1	7%	0.07	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	94	171.7	-168.2	-7.1	0	0	0	109.6	F534 R538 K559 R561	F534-D536 HydrophobicContact CE2-CB 4.39Å; F534-D536 PolarHBondContact O-N 3.02Å; D536-R538 VanDerWaalsContact C-N 3.33Å; D536-R538 WeakPolarHBondContact OD1-CB 3.27Å; D536-R538 WeakPolarHBondContact OD1-CG 3.35Å; D536-R538 IonicContact OD1-CZ 3.45Å; D536-R538 PolarHBondContact OD1-N 3.45Å; D536-R538 VanDerWaalsContact OD1-N 3.11Å; D536-R538 IonicContact OD1-NE 3.64Å; D536-R538 PolarHBondContact OD1-NE 3.01Å; D536-R538 IonicContact OD1-NH2 2.83Å; D536-R538 IonicContact OD2-CZ 3.67Å; D536-R538 IonicContact OD2-NE 2.74Å; D536-R538 PolarHBondContact OD2-NE 3.2Å; D536-R538 IonicContact OD2-NH2 2.78Å; D536-R538 PolarHBondContact OD2-NH2 3.23Å; D536-K559 PolarHBondContact N-O 3.43Å; D536-R561 HydrophobicContact CB-CG 4.06Å; D536-R561 VanDerWaalsContact OD2-CD 3.24Å; D536-R561 WeakPolarHBondContact OD2-CD 3.04Å; D536-R561 IonicContact OD2-CZ 2.96Å; D536-R561 IonicContact OD2-NE 3.65Å; D536-R561 PolarHBondContact OD2-NE 2.94Å; D536-R561 IonicContact OD2-NH1 3.38Å; D536-R561 PolarHBondContact OD2-NH1 3.17Å; D536-R561 IonicContact OD2-NH2 3.41Å; D536-R561 PolarHBondContact OD2-NH2 2.89Å
537	L	66	Low	59.3	Low	81 Å²	81	103.7 Å²	103.7	42%	0.424	54%	0.538	S	S	.	.			trans	-90.3	10	178.4	-60.5	176.4	0	0	0	113	Y511 P535 N539 F540	Y511-L537 HydrophobicContact CE1-CD2 4.31Å; P535-L537 HydrophobicContact CB-CG 4.44Å; P535-L537 PolarHBondContact O-N 2.03Å; L537-N539 PolarHBondContact O-N 3.01Å; L537-F540 HydrophobicContact CB-CB 4.21Å; L537-F540 HydrophobicContact CD2-CB 4.35Å; L537-F540 WeakPolarHBondContact O-CB 3.34Å; L537-F540 PolarHBondContact O-N 2.82Å
538	R	60.8	Low	56.6	Low	142 Å²	142	105.9 Å²	105.9	54%	0.536	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-12.4	-179.4	-73.1	-178.1	-79.3	-179.8	-3.5	113.8	D536 E573	D536-R538 VanDerWaalsContact C-N 3.33Å; D536-R538 WeakPolarHBondContact OD1-CB 3.27Å; D536-R538 WeakPolarHBondContact OD1-CG 3.35Å; D536-R538 IonicContact OD1-CZ 3.45Å; D536-R538 PolarHBondContact OD1-N 3.45Å; D536-R538 VanDerWaalsContact OD1-N 3.11Å; D536-R538 IonicContact OD1-NE 3.64Å; D536-R538 PolarHBondContact OD1-NE 3.01Å; D536-R538 IonicContact OD1-NH2 2.83Å; D536-R538 IonicContact OD2-CZ 3.67Å; D536-R538 IonicContact OD2-NE 2.74Å; D536-R538 PolarHBondContact OD2-NE 3.2Å; D536-R538 IonicContact OD2-NH2 2.78Å; D536-R538 PolarHBondContact OD2-NH2 3.23Å; R538-E573 IonicContact NH1-OE2 3.06Å; R538-E573 PolarHBondContact NH1-OE2 2.82Å
539	N	49.3	Very low	53.9	Low	81 Å²	81	110.1 Å²	110.1	43%	0.433	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.2	0	176.5	-81.9	-27.1	0	0	0	115	L537 K556	L537-N539 PolarHBondContact O-N 3.01Å; N539-K556 HydrophobicContact CB-CB 3.86Å; N539-K556 HydrophobicContact CB-CD 3.75Å; N539-K556 HydrophobicContact CB-CG 4.34Å; N539-K556 PolarHBondContact OD1-NZ 3.43Å
540	F	46.5	Very low	51.2	Low	144 Å²	144	116.1 Å²	116.1	63%	0.632	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-18.3	179.6	-158.1	-102.9	0	0	0	112.6	L537 G542	L537-F540 HydrophobicContact CB-CB 4.21Å; L537-F540 HydrophobicContact CD2-CB 4.35Å; L537-F540 WeakPolarHBondContact O-CB 3.34Å; L537-F540 PolarHBondContact O-N 2.82Å; F540-G542 VanDerWaalsContact C-N 3.34Å; F540-G542 PolarHBondContact O-N 2.8Å
541	V	38.4	Very low	48.7	Very low	140 Å²	140	123.2 Å²	123.2	85%	0.848	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	72.3	-177.7	-161.9	0	0	0	0	110.5
542	G	39.1	Very low	46.5	Very low	64 Å²	64	120.1 Å²	120.1	66%	0.66	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	4.1	168.3	0	0	0	0	0	113.7	F540	F540-G542 VanDerWaalsContact C-N 3.34Å; F540-G542 PolarHBondContact O-N 2.8Å
543	F	34.7	Very low	44.6	Very low	197 Å²	197	121.1 Å²	121.1	86%	0.864	62%	0.622	S	S	*	*			trans	-107.7	41.7	-172.7	-87.6	-79.9	0	0	0	113.5
544	I	34.7	Very low	42.6	Very low	150 Å²	150	126.1 Å²	126.1	77%	0.769	65%	0.65	S	S	*	*	S	Bend	trans	-147.8	112.9	158.8	-49.2	179.4	0	0	0	106.5
545	H	29.5	Very low	41	Very low	171 Å²	171	129 Å²	129	79%	0.792	67%	0.673	S	S	*	*	S	Bend	trans	86.7	87.6	-173.7	-61.3	-86.7	0	0	0	116.6
546	D	31.6	Very low	39.9	Very low	161 Å²	161	132.9 Å²	132.9	86%	0.861	68%	0.684	S	S	*	*				177.3	144.7	92.5	-116.1	-23.7	0	0	0	112.1
547	F	31.4	Very low	39.5	Very low	202 Å²	202	134.4 Å²	134.4	89%	0.886	69%	0.691	S	S	*	*			trans	-85.9	105.6	168.5	-105.6	-102.7	0	0	0	107.8
548	D	29.4	Very low	40	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	68%	0.677	S	S	*	*			trans	159.6	138.3	134.3	-99.7	-28.4	0	0	0	114
549	Y	27.1	Very low	41.1	Very low	198 Å²	198	128.3 Å²	128.3	78%	0.776	67%	0.667	S	S	*	*			trans	48.8	118.6	150.4	-89.8	-96.5	0	0	0	122.6
550	N	25.9	Very low	42.8	Very low	144 Å²	144	124.4 Å²	124.4	77%	0.77	65%	0.646	S	S	*	*			trans	58.9	85	149.5	-75	-14.6	0	0	0	118.1
551	F	29.3	Very low	44.1	Very low	196 Å²	196	119.2 Å²	119.2	86%	0.86	62%	0.622	S	S	*	*			trans	-128.2	98	155.5	-140.3	-96.7	0	0	0	111.1	G553	F551-G553 PolarHBondContact O-N 3.46Å
552	S	27	Very low	45.5	Very low	128 Å²	128	113.4 Å²	113.4	90%	0.895	59%	0.586	S	S	*	*			trans	-75.5	99	160.5	51.2	0	0	0	0	108.3
553	G	27.8	Very low	46.6	Very low	49 Å²	49	119.2 Å²	119.2	51%	0.505	59%	0.588	S	S	.	*	S	Bend	trans	178.2	92.1	179.1	0	0	0	0	0	113.3	F551	F551-G553 PolarHBondContact O-N 3.46Å
554	D	35.2	Very low	48.1	Very low	137 Å²	137	112.5 Å²	112.5	73%	0.733	57%	0.565	S	S	*	*			trans	36.8	87.2	152.5	-129.7	4	0	0	0	116.9	K556	D554-K556 PolarHBondContact O-N 3.39Å; D554-K556 VanDerWaalsContact O-N 3.13Å
555	T	43.3	Very low	49.7	Very low	118 Å²	118	107.6 Å²	107.6	72%	0.724	54%	0.54	S	S	*	.			trans	-61	114.9	171.4	44.2	0	0	0	0	110.3	H557	T555-H557 PolarHBondContact O-CD2 3.39Å; T555-H557 PolarHBondContact O-N 3.19Å
556	K	56.4	Low	51.7	Low	138 Å²	138	103.9 Å²	103.9	60%	0.6	53%	0.534	S	S	*	.			trans	-68.1	113.7	-168.7	-62.8	164.2	170.9	-174.9	0	112.9	N539 D554	N539-K556 HydrophobicContact CB-CB 3.86Å; N539-K556 HydrophobicContact CB-CD 3.75Å; N539-K556 HydrophobicContact CB-CG 4.34Å; N539-K556 PolarHBondContact OD1-NZ 3.43Å; D554-K556 PolarHBondContact O-N 3.39Å; D554-K556 VanDerWaalsContact O-N 3.13Å
557	H	66	Low	53.9	Low	44 Å²	44	96.2 Å²	96.2	20%	0.204	49%	0.493	C	S	.	.			trans	-73.8	144.3	177.1	-60.7	-76.7	0	0	0	113	C506 T555	C506-H557 PolarHBondContact O-CE1 2.96Å; C506-H557 PolarHBondContact O-ND1 2.78Å; T555-H557 PolarHBondContact O-CD2 3.39Å; T555-H557 PolarHBondContact O-N 3.19Å
558	P	76.4	Confident	56.1	Low	22 Å²	22	87.2 Å²	87.2	14%	0.143	46%	0.455	C	S	.	.			trans	-69.9	148.2	-179.1	31.4	-34.7	0	0	0	111.3	L510 Y511 L512	L510-P558 WeakPolarHBondContact O-CG 3.41Å; Y511-P558 WeakPolarHBondContact CA-O 2.96Å; Y511-P558 HydrophobicContact CD1-CB 3.59Å; Y511-P558 HydrophobicContact CD1-CG 4.16Å; Y511-P558 HydrophobicContact CE1-CB 3.56Å; Y511-P558 HydrophobicContact CE1-CG 4.27Å; Y511-P558 HydrophobicContact CG-CB 4.25Å; Y511-P558 HydrophobicContact CG-CG 4.34Å; L512-P558 PolarHBondContact N-O 2.67Å
559	K	84.9	Confident	58.3	Low	73 Å²	73	85.9 Å²	85.9	32%	0.317	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.2	-175	-60.3	-170.2	173.5	-169.4	0	111.5	L512 V514 D536	L512-K559 HydrophobicContact CB-CG 4.34Å; L512-K559 CarbonylContact O-C 3.52Å; L512-K559 WeakPolarHBondContact O-CA 3.26Å; V514-K559 HydrophobicContact CG2-CB 4.47Å; V514-K559 HydrophobicContact CG2-CD 4Å; D536-K559 PolarHBondContact N-O 3.43Å
560	C	84.3	Confident	60	Low	0 Å²	0	80.7 Å²	80.7	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.7	168.7	-67.1	0	0	0	0	109.7	Y511 L512 I513 V514 C529 F533	Y511-C560 WeakPolarHBondContact CB-SG 3.42Å; L512-C560 PolarHBondContact O-N 3.05Å; I513-C560 HydrophobicContact CG1-CB 4.37Å; V514-C560 PolarHBondContact N-O 3.26Å; C529-C560 WeakPolarHBondContact CA-SG 3.33Å; C529-C560 HydrophobicContact CB-CB 3.81Å; C529-C560 WeakPolarHBondContact CB-SG 3.44Å; C529-C560 WeakPolarHBondContact SG-CA 3.03Å; C529-C560 WeakPolarHBondContact SG-CB 3.44Å; C529-C560 CovalentContact SG-SG 2.03Å; C529-C560 PolarHBondContact SG-SG 2.75Å; F533-C560 HydrophobicContact CB-CB 4.04Å; F533-C560 HydrophobicContact CD1-CB 4.41Å
561	R	74.3	Confident	61.8	Low	34 Å²	34	76.1 Å²	76.1	13%	0.128	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.2	179.1	-64.2	-169.4	-174.5	-169.1	10.2	110.6	F533 F534 D536 E573 L574	F533-R561 CarbonylContact C-O 3.45Å; F533-R561 WeakPolarHBondContact CA-O 3.45Å; F534-R561 WeakPolarHBondContact CD1-O 3.04Å; F534-R561 HydrophobicContact CE1-CB 3.94Å; F534-R561 VanDerWaalsContact CE1-O 3.27Å; F534-R561 WeakPolarHBondContact CE1-O 3.45Å; F534-R561 HydrophobicContact CE2-CB 4.43Å; F534-R561 HydrophobicContact CZ-CB 3.89Å; F534-R561 PolarHBondContact N-O 3.26Å; F534-R561 PolarHBondContact O-N 3.37Å; D536-R561 HydrophobicContact CB-CG 4.06Å; D536-R561 VanDerWaalsContact OD2-CD 3.24Å; D536-R561 WeakPolarHBondContact OD2-CD 3.04Å; D536-R561 IonicContact OD2-CZ 2.96Å; D536-R561 IonicContact OD2-NE 3.65Å; D536-R561 PolarHBondContact OD2-NE 2.94Å; D536-R561 IonicContact OD2-NH1 3.38Å; D536-R561 PolarHBondContact OD2-NH1 3.17Å; D536-R561 IonicContact OD2-NH2 3.41Å; D536-R561 PolarHBondContact OD2-NH2 2.89Å; R561-E573 PolarHBondContact NH1-O 3.46Å; R561-L574 VanDerWaalsContact NE-CD2 3.35Å
562	M	67.5	Low	62.8	Low	18 Å²	18	71.4 Å²	71.4	9%	0.089	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.4	173.4	-164.7	163.6	69.5	0	0	110.6	G532 F533 F534 P576 R591	G532-M562 WeakPolarHBondContact O-CG 3.17Å; F533-M562 HydrophobicContact CD1-CB 4.16Å; F533-M562 HydrophobicContact CE1-CB 4.05Å; F534-M562 VanDerWaalsContact CE1-C 3.5Å; M562-P576 HydrophobicContact CE-CB 3.45Å; M562-P576 VanDerWaalsContact CE-CB 3.45Å; M562-P576 HydrophobicContact CE-CG 4.46Å; M562-R591 HydrophobicContact CE-CG 4.48Å; M562-R591 HydrophobicContact SD-CG 4.35Å
563	R	62.6	Low	64	Low	187 Å²	187	72.1 Å²	72.1	71%	0.706	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-71	137.7	172.2	-91.2	-176.5	-178.5	178.5	-0.3	108.8	F534 D565	F534-R563 HydrophobicContact CD1-CB 4.22Å; F534-R563 HydrophobicContact CD1-CG 3.49Å; F534-R563 VanDerWaalsContact CD1-CG 3.49Å; F534-R563 HydrophobicContact CE1-CB 4.12Å; F534-R563 HydrophobicContact CE1-CG 3.47Å; F534-R563 VanDerWaalsContact CE1-CG 3.47Å; F534-R563 HydrophobicContact CG-CG 4.36Å; F534-R563 HydrophobicContact CZ-CG 4.33Å; R563-D565 PolarHBondContact O-N 3.36Å
564	C	66	Low	65	Low	56 Å²	56	73.9 Å²	73.9	38%	0.378	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-65.7	126.2	173.4	-54.3	0	0	0	0	110.3	C571	C564-C571 HydrophobicContact CB-CB 3.76Å; C564-C571 WeakPolarHBondContact CB-SG 3.4Å; C564-C571 WeakPolarHBondContact SG-CB 3.15Å; C564-C571 CovalentContact SG-SG 2.01Å; C564-C571 PolarHBondContact SG-SG 2.93Å
565	D	68.5	Low	66	Low	46 Å²	46	68 Å²	68	25%	0.246	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.1	174.5	-64.8	-37.8	0	0	0	110.6	R563 G567 C568 R591 C592	R563-D565 PolarHBondContact O-N 3.36Å; D565-G567 PolarHBondContact O-N 3.35Å; D565-C568 VanDerWaalsContact O-CB 3.24Å; D565-C568 WeakPolarHBondContact O-CB 3.42Å; D565-C568 PolarHBondContact O-N 2.83Å; D565-R591 WeakPolarHBondContact OD2-CA 3.39Å; D565-R591 VanDerWaalsContact OD2-CB 3.28Å; D565-R591 WeakPolarHBondContact OD2-CB 3.38Å; D565-R591 WeakPolarHBondContact OD2-CG 3.24Å; D565-C592 HydrophobicContact CB-CB 4.34Å; D565-C592 PolarHBondContact OD2-N 3.43Å
566	S	72.1	Confident	67.1	Low	94 Å²	94	63 Å²	63	66%	0.657	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.1	176.5	58.5	0	0	0	0	112.8	C568 K581	S566-C568 VanDerWaalsContact C-N 3.33Å; S566-K581 WeakPolarHBondContact O-CD 3.46Å; S566-K581 WeakPolarHBondContact O-CE 3.48Å; S566-K581 PolarHBondContact O-NZ 3.14Å
567	G	76.3	Confident	68	Low	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.1	174.3	0	0	0	0	0	115.3	D565 C580 K581	D565-G567 PolarHBondContact O-N 3.35Å; G567-C580 CarbonylContact O-C 3.59Å; G567-C580 WeakPolarHBondContact O-CA 3.29Å; G567-K581 VanDerWaalsContact O-CB 3.29Å; G567-K581 WeakPolarHBondContact O-CB 3.28Å; G567-K581 WeakPolarHBondContact O-CG 3.13Å; G567-K581 PolarHBondContact O-N 3.13Å
568	C	79	Confident	68.4	Low	13 Å²	13	62.9 Å²	62.9	9%	0.088	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-85.2	133.1	-177.5	-167.7	0	0	0	0	113	D565 S566 N570 C577 K581	D565-C568 VanDerWaalsContact O-CB 3.24Å; D565-C568 WeakPolarHBondContact O-CB 3.42Å; D565-C568 PolarHBondContact O-N 2.83Å; S566-C568 VanDerWaalsContact C-N 3.33Å; C568-N570 VanDerWaalsContact SG-C 3.56Å; C568-C577 WeakPolarHBondContact CA-SG 3.24Å; C568-C577 HydrophobicContact CB-CB 3.74Å; C568-C577 WeakPolarHBondContact CB-SG 2.9Å; C568-C577 WeakPolarHBondContact SG-CA 3.21Å; C568-C577 WeakPolarHBondContact SG-CB 3.27Å; C568-C577 CovalentContact SG-SG 2.02Å; C568-C577 PolarHBondContact SG-SG 3.38Å; C568-K581 VanDerWaalsContact O-CE 3.26Å; C568-K581 WeakPolarHBondContact O-CE 3.49Å
569	L	74.1	Confident	68.5	Low	109 Å²	109	69.1 Å²	69.1	57%	0.571	34%	0.343	S	S	*	.	S	Bend	trans	-86.7	-39.4	175	-86.3	162.9	0	0	0	112.8	Y579 C580 K581	L569-Y579 WeakPolarHBondContact CB-O 3.43Å; L569-Y579 PolarHBondContact N-O 2.96Å; L569-C580 VanDerWaalsContact CD1-O 3.32Å; L569-C580 WeakPolarHBondContact CD1-O 3.5Å; L569-K581 HydrophobicContact CD2-CG 3.94Å; L569-K581 HydrophobicContact CG-CB 4.27Å; L569-K581 HydrophobicContact CG-CG 3.65Å
570	N	62.5	Low	68.4	Low	88 Å²	88	65.9 Å²	65.9	47%	0.471	33%	0.33	S	S	.	.			trans	-134.2	90.2	-176.9	-169.2	-4.6	0	0	0	108.2	C568 Y579	C568-N570 VanDerWaalsContact SG-C 3.56Å; N570-Y579 HydrophobicContact CB-CD2 4.22Å
571	C	64.4	Low	68.4	Low	48 Å²	48	70.3 Å²	70.3	32%	0.324	35%	0.349	S	S	.	.			trans	-111.7	126.1	155.3	88.4	0	0	0	0	107.4	C564	C564-C571 HydrophobicContact CB-CB 3.76Å; C564-C571 WeakPolarHBondContact CB-SG 3.4Å; C564-C571 WeakPolarHBondContact SG-CB 3.15Å; C564-C571 CovalentContact SG-SG 2.01Å; C564-C571 PolarHBondContact SG-SG 2.93Å
572	T	51.2	Low	68.9	Low	97 Å²	97	73.3 Å²	73.3	60%	0.595	38%	0.375	S	S	*	.			trans	-71.5	157.9	151.3	40	0	0	0	0	107.3	L574	T572-L574 PolarHBondContact O-N 3.28Å
573	E	50.8	Low	69.7	Low	144 Å²	144	74.8 Å²	74.8	67%	0.673	40%	0.395	S	S	*	.	S	Bend	trans	-61.9	21.9	-177.6	-63.2	-167.5	173.8	0	0	116	R538 R561	R538-E573 IonicContact NH1-OE2 3.06Å; R538-E573 PolarHBondContact NH1-OE2 2.82Å; R561-E573 PolarHBondContact NH1-O 3.46Å
574	L	49.6	Very low	71	Confident	86 Å²	86	69.1 Å²	69.1	45%	0.45	38%	0.375	S	S	.	.	S	Bend	trans	-153.1	97.5	-171.3	-79.3	161.5	0	0	0	108.3	V514 R561 T572	V514-L574 HydrophobicContact CG1-CD2 4.33Å; R561-L574 VanDerWaalsContact NE-CD2 3.35Å; T572-L574 PolarHBondContact O-N 3.28Å
575	G	56.3	Low	72.1	Confident	12 Å²	12	68.3 Å²	68.3	12%	0.124	37%	0.365	C	S	.	.	S	Bend	trans	117.7	170.9	160.9	0	0	0	0	0	117.9
576	P	65.5	Low	73	Confident	15 Å²	15	67.2 Å²	67.2	10%	0.097	36%	0.358	C	S	.	.	S	Bend	trans	-60.4	154.5	178.5	15.8	-23.6	0	0	0	114.3	D516 M562 R578	D516-P576 HydrophobicContact CB-CG 3.49Å; D516-P576 VanDerWaalsContact CB-CG 3.49Å; M562-P576 HydrophobicContact CE-CB 3.45Å; M562-P576 VanDerWaalsContact CE-CB 3.45Å; M562-P576 HydrophobicContact CE-CG 4.46Å; P576-R578 PolarHBondContact O-N 2.76Å
577	C	74.8	Confident	73.6	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.054	33%	0.331	C	S	.	.			trans	-67.6	124.8	-177	-168.8	0	0	0	0	110.9	C568 Y579 L586 G590 C592	C568-C577 WeakPolarHBondContact CA-SG 3.24Å; C568-C577 HydrophobicContact CB-CB 3.74Å; C568-C577 WeakPolarHBondContact CB-SG 2.9Å; C568-C577 WeakPolarHBondContact SG-CA 3.21Å; C568-C577 WeakPolarHBondContact SG-CB 3.27Å; C568-C577 CovalentContact SG-SG 2.02Å; C568-C577 PolarHBondContact SG-SG 3.38Å; C577-Y579 VanDerWaalsContact SG-C 3.54Å; C577-Y579 PolarHBondContact SG-O 2.94Å; C577-L586 HydrophobicContact CB-CD1 4.34Å; C577-L586 WeakPolarHBondContact O-CD1 3.41Å; C577-G590 WeakPolarHBondContact CB-O 3.03Å; C577-G590 PolarHBondContact N-O 3.38Å; C577-C592 PolarHBondContact SG-SG 3.47Å
578	R	74.4	Confident	73.7	Confident	171 Å²	171	69.6 Å²	69.6	65%	0.645	36%	0.364	S	S	*	.	S	Bend	trans	-82.4	-30.2	174.1	-76.9	-172.6	172.9	-175.2	-1.4	113.4	P576	P576-R578 PolarHBondContact O-N 2.76Å
579	Y	79.4	Confident	73.4	Confident	152 Å²	152	74.8 Å²	74.8	60%	0.596	39%	0.387	S	S	*	.	S	Bend	trans	-140.7	124	-175	-62	-78.6	0	0	0	111.2	L569 N570 C577	L569-Y579 WeakPolarHBondContact CB-O 3.43Å; L569-Y579 PolarHBondContact N-O 2.96Å; N570-Y579 HydrophobicContact CB-CD2 4.22Å; C577-Y579 VanDerWaalsContact SG-C 3.54Å; C577-Y579 PolarHBondContact SG-O 2.94Å
580	C	83.1	Confident	73.6	Confident	6 Å²	6	70.1 Å²	70.1	4%	0.041	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-88	141.8	178	-60.1	0	0	0	0	112.7	G567 L569 C592 R607	G567-C580 CarbonylContact O-C 3.59Å; G567-C580 WeakPolarHBondContact O-CA 3.29Å; L569-C580 VanDerWaalsContact CD1-O 3.32Å; L569-C580 WeakPolarHBondContact CD1-O 3.5Å; C580-C592 WeakPolarHBondContact CA-SG 3.36Å; C580-C592 HydrophobicContact CB-CB 3.85Å; C580-C592 WeakPolarHBondContact CB-SG 3.21Å; C580-C592 WeakPolarHBondContact SG-CA 3.35Å; C580-C592 WeakPolarHBondContact SG-CB 3.46Å; C580-C592 CovalentContact SG-SG 2.03Å; C580-C592 PolarHBondContact SG-SG 3.06Å; C580-R607 PolarHBondContact O-NH1 2.9Å
581	K	84.6	Confident	74.4	Confident	92 Å²	92	70.4 Å²	70.4	40%	0.4	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-52.5	156.9	167.7	-71.3	177.2	-177.8	167.1	0	110.1	S566 G567 C568 L569 G583 Y584	S566-K581 WeakPolarHBondContact O-CD 3.46Å; S566-K581 WeakPolarHBondContact O-CE 3.48Å; S566-K581 PolarHBondContact O-NZ 3.14Å; G567-K581 VanDerWaalsContact O-CB 3.29Å; G567-K581 WeakPolarHBondContact O-CB 3.28Å; G567-K581 WeakPolarHBondContact O-CG 3.13Å; G567-K581 PolarHBondContact O-N 3.13Å; C568-K581 VanDerWaalsContact O-CE 3.26Å; C568-K581 WeakPolarHBondContact O-CE 3.49Å; L569-K581 HydrophobicContact CD2-CG 3.94Å; L569-K581 HydrophobicContact CG-CB 4.27Å; L569-K581 HydrophobicContact CG-CG 3.65Å; K581-G583 PolarHBondContact O-N 2.9Å; K581-Y584 HydrophobicContact CB-CD2 4.21Å; K581-Y584 PolarHBondContact O-N 3.29Å; K581-Y584 VanDerWaalsContact O-N 3.1Å
582	S	83.9	Confident	75.4	Confident	97 Å²	97	68.6 Å²	68.6	68%	0.678	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	136.6	175.1	-161.5	0	0	0	0	110.5
583	G	84.9	Confident	77.1	Confident	49 Å²	49	66 Å²	66	51%	0.505	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-1.4	-175.5	0	0	0	0	0	115.4	K581	K581-G583 PolarHBondContact O-N 2.9Å
584	Y	89.9	Confident	78.9	Confident	69 Å²	69	63.1 Å²	63.1	27%	0.271	32%	0.323	S	S	.	.			trans	-118.4	151.9	175.4	-68.5	-100.9	0	0	0	111.4	K581 C592 V593 T594	K581-Y584 HydrophobicContact CB-CD2 4.21Å; K581-Y584 PolarHBondContact O-N 3.29Å; K581-Y584 VanDerWaalsContact O-N 3.1Å; Y584-C592 HydrophobicContact CD1-CB 4.14Å; Y584-C592 WeakPolarHBondContact CD1-O 3.25Å; Y584-C592 HydrophobicContact CG-CB 4.39Å; Y584-V593 CarbonylContact C-O 3.57Å; Y584-V593 WeakPolarHBondContact CA-O 3.22Å; Y584-T594 HydrophobicContact CD1-CG2 3.85Å; Y584-T594 HydrophobicContact CE1-CG2 3.6Å; Y584-T594 HydrophobicContact CE2-CG2 4.32Å; Y584-T594 HydrophobicContact CG-CG2 4.32Å
585	F	89.1	Confident	80.8	Confident	39 Å²	39	64.5 Å²	64.5	17%	0.171	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.2	-179.3	-55.4	-83.5	0	0	0	110	V593 A602 R607	F585-V593 PolarHBondContact N-O 3.04Å; F585-V593 PolarHBondContact O-N 2.91Å; F585-A602 HydrophobicContact CD1-CB 3.79Å; F585-A602 HydrophobicContact CD2-CB 3.93Å; F585-A602 HydrophobicContact CE1-CB 3.66Å; F585-A602 HydrophobicContact CE2-CB 3.8Å; F585-A602 HydrophobicContact CG-CB 3.94Å; F585-A602 HydrophobicContact CZ-CB 3.67Å; F585-R607 CarbonylContact C-O 3.52Å; F585-R607 WeakPolarHBondContact CA-O 3.36Å
586	L	86.3	Confident	82.4	Confident	22 Å²	22	64.8 Å²	64.8	12%	0.115	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.4	-179.1	-173.5	64.1	0	0	0	111	C577 R591 R607 K608 C609	C577-L586 HydrophobicContact CB-CD1 4.34Å; C577-L586 WeakPolarHBondContact O-CD1 3.41Å; L586-R591 CarbonylContact C-O 3.55Å; L586-R591 WeakPolarHBondContact CA-O 3.45Å; L586-R607 PolarHBondContact N-O 2.02Å; L586-K608 HydrophobicContact CB-CG 4.25Å; L586-K608 CarbonylContact O-C 3.58Å; L586-K608 WeakPolarHBondContact O-CA 3.47Å; L586-C609 PolarHBondContact O-N 3.04Å
587	T	84.6	Confident	83.4	Confident	14 Å²	14	66.6 Å²	66.6	9%	0.086	35%	0.347	C	S	.	.			trans	-81	167.1	173.1	71	0	0	0	0	111.7	Q589 G590 R591 V593	T587-Q589 PolarHBondContact O-N 2.84Å; T587-Q589 PolarHBondContact OG1-N 2.95Å; T587-Q589 PolarHBondContact OG1-OE1 3.47Å; T587-G590 PolarHBondContact O-N 3.01Å; T587-R591 PolarHBondContact N-O 2.88Å; T587-R591 PolarHBondContact OG1-N 2.85Å; T587-R591 PolarHBondContact OG1-O 2.04Å; T587-V593 HydrophobicContact CG2-CB 4.45Å; T587-V593 HydrophobicContact CG2-CG1 3.94Å; T587-V593 HydrophobicContact CG2-CG2 3.63Å
588	L	78.9	Confident	83.9	Confident	130 Å²	130	71.8 Å²	71.8	68%	0.681	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.7	173.4	-79.5	161.7	0	0	0	112.8	G590 Y600	L588-G590 PolarHBondContact O-N 3.32Å; L588-Y600 HydrophobicContact CD1-CE1 3.56Å; L588-Y600 WeakPolarHBondContact CD1-OH 3.05Å; L588-Y600 HydrophobicContact CG-CE1 4.45Å
589	Q	73.9	Confident	84.3	Confident	122 Å²	122	71.3 Å²	71.3	57%	0.57	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	9.3	176.8	-58.4	80.7	9.8	0	0	112.9	T587 R591	T587-Q589 PolarHBondContact O-N 2.84Å; T587-Q589 PolarHBondContact OG1-N 2.95Å; T587-Q589 PolarHBondContact OG1-OE1 3.47Å; Q589-R591 PolarHBondContact O-N 2.83Å
590	G	77.4	Confident	84.7	Confident	11 Å²	11	66.6 Å²	66.6	11%	0.113	36%	0.364	C	S	.	.	S	Bend	trans	74.9	23.5	176.3	0	0	0	0	0	115	C577 T587 L588	C577-G590 WeakPolarHBondContact CB-O 3.03Å; C577-G590 PolarHBondContact N-O 3.38Å; T587-G590 PolarHBondContact O-N 3.01Å; L588-G590 PolarHBondContact O-N 3.32Å
591	R	78.6	Confident	84.9	Confident	95 Å²	95	69.8 Å²	69.8	36%	0.358	38%	0.378	S	S	.	.			trans	-102.7	146.9	176.4	-70.5	-167.4	176.2	176.1	2.4	112.5	M562 D565 L586 T587 Q589	M562-R591 HydrophobicContact CE-CG 4.48Å; M562-R591 HydrophobicContact SD-CG 4.35Å; D565-R591 WeakPolarHBondContact OD2-CA 3.39Å; D565-R591 VanDerWaalsContact OD2-CB 3.28Å; D565-R591 WeakPolarHBondContact OD2-CB 3.38Å; D565-R591 WeakPolarHBondContact OD2-CG 3.24Å; L586-R591 CarbonylContact C-O 3.55Å; L586-R591 WeakPolarHBondContact CA-O 3.45Å; T587-R591 PolarHBondContact N-O 2.88Å; T587-R591 PolarHBondContact OG1-N 2.85Å; T587-R591 PolarHBondContact OG1-O 2.04Å; Q589-R591 PolarHBondContact O-N 2.83Å
592	C	86	Confident	85.1	Confident	9 Å²	9	67.6 Å²	67.6	6%	0.061	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114	175.5	-69.7	0	0	0	0	110.8	D565 C577 C580 Y584	D565-C592 HydrophobicContact CB-CB 4.34Å; D565-C592 PolarHBondContact OD2-N 3.43Å; C577-C592 PolarHBondContact SG-SG 3.47Å; C580-C592 WeakPolarHBondContact CA-SG 3.36Å; C580-C592 HydrophobicContact CB-CB 3.85Å; C580-C592 WeakPolarHBondContact CB-SG 3.21Å; C580-C592 WeakPolarHBondContact SG-CA 3.35Å; C580-C592 WeakPolarHBondContact SG-CB 3.46Å; C580-C592 CovalentContact SG-SG 2.03Å; C580-C592 PolarHBondContact SG-SG 3.06Å; Y584-C592 HydrophobicContact CD1-CB 4.14Å; Y584-C592 WeakPolarHBondContact CD1-O 3.25Å; Y584-C592 HydrophobicContact CG-CB 4.39Å
593	V	87.2	Confident	85.2	Confident	42 Å²	42	64.6 Å²	64.6	26%	0.255	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.3	-178.7	-61.4	0	0	0	0	111.9	Y584 F585 T587 V595	Y584-V593 CarbonylContact C-O 3.57Å; Y584-V593 WeakPolarHBondContact CA-O 3.22Å; F585-V593 PolarHBondContact N-O 3.04Å; F585-V593 PolarHBondContact O-N 2.91Å; T587-V593 HydrophobicContact CG2-CB 4.45Å; T587-V593 HydrophobicContact CG2-CG1 3.94Å; T587-V593 HydrophobicContact CG2-CG2 3.63Å; V593-V595 VanDerWaalsContact CG2-O 3.25Å; V593-V595 WeakPolarHBondContact CG2-O 2.96Å
594	T	88.5	Confident	85.1	Confident	85 Å²	85	67 Å²	67	52%	0.521	36%	0.362	S	S	.	.	S	Bend	trans	-80.8	-22.8	175	52	0	0	0	0	112.7	Y584	Y584-T594 HydrophobicContact CD1-CG2 3.85Å; Y584-T594 HydrophobicContact CE1-CG2 3.6Å; Y584-T594 HydrophobicContact CE2-CG2 4.32Å; Y584-T594 HydrophobicContact CG-CG2 4.32Å
595	V	90.2	Very high	84.6	Confident	115 Å²	115	69.9 Å²	69.9	70%	0.697	39%	0.386	S	S	*	.	S	Bend	trans	-131.6	126.8	178.4	-176.7	0	0	0	0	108.6	V593	V593-V595 VanDerWaalsContact CG2-O 3.25Å; V593-V595 WeakPolarHBondContact CG2-O 2.96Å
596	C	88.4	Confident	84.3	Confident	18 Å²	18	71.3 Å²	71.3	12%	0.122	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-69.5	146.3	179.1	-70.8	0	0	0	0	111.9	A602 C609	C596-A602 VanDerWaalsContact SG-CA 3.57Å; C596-C609 WeakPolarHBondContact CA-SG 2.94Å; C596-C609 HydrophobicContact CB-CB 3.8Å; C596-C609 WeakPolarHBondContact CB-SG 2.96Å; C596-C609 WeakPolarHBondContact SG-CA 3.37Å; C596-C609 WeakPolarHBondContact SG-CB 3.29Å; C596-C609 CovalentContact SG-SG 2.04Å; C596-C609 PolarHBondContact SG-SG 2.85Å
597	P	86.8	Confident	84.3	Confident	52 Å²	52	75.4 Å²	75.4	34%	0.338	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-62.6	159.3	178.6	23.5	-31.5	0	0	0	111.9	K599 Y600	P597-K599 PolarHBondContact O-N 2.86Å; P597-Y600 HydrophobicContact CG-CD2 4.03Å; P597-Y600 HydrophobicContact CG-CG 4.35Å; P597-Y600 WeakPolarHBondContact O-CB 3.24Å; P597-Y600 PolarHBondContact O-N 2.95Å; P597-Y600 VanDerWaalsContact O-N 3.08Å
598	P	84.9	Confident	84.5	Confident	117 Å²	117	80 Å²	80	76%	0.76	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	142.1	176.8	-25.6	33.7	0	0	0	112	Y600	P598-Y600 VanDerWaalsContact C-N 3.3Å; P598-Y600 WeakPolarHBondContact O-CD2 3.46Å
599	K	83.2	Confident	85	Confident	161 Å²	161	74.3 Å²	74.3	70%	0.7	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	8	-172.9	-48.4	177.9	-179.6	177.6	0	115.8	P597 Y612	P597-K599 PolarHBondContact O-N 2.86Å; K599-Y612 WeakPolarHBondContact O-CD2 3.47Å; K599-Y612 PolarHBondContact O-N 3.43Å
600	Y	87.8	Confident	85.6	Confident	53 Å²	53	72.2 Å²	72.2	21%	0.208	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.8	172.3	-63.9	-106.4	0	0	0	110.3	L588 P597 P598 C609 M610 K611	L588-Y600 HydrophobicContact CD1-CE1 3.56Å; L588-Y600 WeakPolarHBondContact CD1-OH 3.05Å; L588-Y600 HydrophobicContact CG-CE1 4.45Å; P597-Y600 HydrophobicContact CG-CD2 4.03Å; P597-Y600 HydrophobicContact CG-CG 4.35Å; P597-Y600 WeakPolarHBondContact O-CB 3.24Å; P597-Y600 PolarHBondContact O-N 2.95Å; P597-Y600 VanDerWaalsContact O-N 3.08Å; P598-Y600 VanDerWaalsContact C-N 3.3Å; P598-Y600 WeakPolarHBondContact O-CD2 3.46Å; Y600-C609 HydrophobicContact CD1-CB 4.38Å; Y600-M610 CarbonylContact C-O 3.58Å; Y600-M610 WeakPolarHBondContact CA-O 2.94Å; Y600-M610 VanDerWaalsContact CD1-C 3.46Å; Y600-K611 VanDerWaalsContact CD1-CA 3.46Å; Y600-K611 HydrophobicContact CD1-CB 3.91Å; Y600-K611 HydrophobicContact CD1-CG 4.47Å; Y600-K611 HydrophobicContact CE1-CB 3.59Å; Y600-K611 HydrophobicContact CE1-CD 4.5Å; Y600-K611 HydrophobicContact CE1-CG 4.02Å; Y600-K611 HydrophobicContact CE2-CG 4.38Å
601	F	88.1	Confident	85.9	Confident	74 Å²	74	77.7 Å²	77.7	33%	0.325	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.4	168.5	67.8	-84	0	0	0	110.8	N603 M610 Y612	F601-N603 HydrophobicContact CE2-CB 4.15Å; F601-N603 PolarHBondContact O-N 3.11Å; F601-M610 HydrophobicContact CD1-CB 4.4Å; F601-M610 VanDerWaalsContact CD1-O 3.29Å; F601-M610 WeakPolarHBondContact CD1-O 3.45Å; F601-M610 HydrophobicContact CE1-CB 3.86Å; F601-M610 HydrophobicContact CE2-CB 4.3Å; F601-M610 HydrophobicContact CZ-CB 3.81Å; F601-M610 PolarHBondContact N-O 3.24Å; F601-M610 PolarHBondContact O-N 2.83Å; F601-Y612 HydrophobicContact CB-CD1 4.49Å; F601-Y612 HydrophobicContact CB-CE1 3.69Å; F601-Y612 AromaticContact CD1-CD1 3.71Å; F601-Y612 HydrophobicContact CD1-CD1 3.71Å; F601-Y612 AromaticContact CD1-CE1 3.77Å; F601-Y612 HydrophobicContact CD1-CE1 3.77Å; F601-Y612 HydrophobicContact CD1-CG 4.32Å; F601-Y612 HydrophobicContact CE1-CD1 4.46Å; F601-Y612 HydrophobicContact CG-CD1 4.49Å; F601-Y612 HydrophobicContact CG-CE1 4.09Å
602	A	89.3	Confident	85.6	Confident	46 Å²	46	80.5 Å²	80.5	38%	0.38	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	110.8	174.8	0	0	0	0	0	110	F585 C596 S604	F585-A602 HydrophobicContact CD1-CB 3.79Å; F585-A602 HydrophobicContact CD2-CB 3.93Å; F585-A602 HydrophobicContact CE1-CB 3.66Å; F585-A602 HydrophobicContact CE2-CB 3.8Å; F585-A602 HydrophobicContact CG-CB 3.94Å; F585-A602 HydrophobicContact CZ-CB 3.67Å; C596-A602 VanDerWaalsContact SG-CA 3.57Å; A602-S604 PolarHBondContact O-N 3.41Å
603	N	85.4	Confident	84.4	Confident	34 Å²	34	83.6 Å²	83.6	18%	0.182	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	109.2	171.2	-175.6	-36.4	0	0	0	108.9	F601 V605 T606 R607 K608 M610	F601-N603 HydrophobicContact CE2-CB 4.15Å; F601-N603 PolarHBondContact O-N 3.11Å; N603-V605 VanDerWaalsContact C-N 3.27Å; N603-V605 PolarHBondContact O-N 3.38Å; N603-V605 WeakPolarHBondContact OD1-CA 3.37Å; N603-V605 WeakPolarHBondContact OD1-CB 3.32Å; N603-V605 PolarHBondContact OD1-N 2.01Å; N603-T606 WeakPolarHBondContact CB-OG1 3.36Å; N603-T606 PolarHBondContact OD1-N 3.32Å; N603-T606 PolarHBondContact OD1-OG1 2.64Å; N603-R607 VanDerWaalsContact O-CA 3.24Å; N603-R607 WeakPolarHBondContact O-CA 3.02Å; N603-R607 PolarHBondContact O-N 2.96Å; N603-K608 PolarHBondContact N-O 3.32Å; N603-M610 HydrophobicContact CB-CG 4.02Å; N603-M610 HydrophobicContact CB-SD 3.73Å; N603-M610 PolarHBondContact ND2-SD 3.41Å
604	S	81.9	Confident	82.3	Confident	98 Å²	98	89.3 Å²	89.3	69%	0.685	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.3	-178.5	53.8	0	0	0	0	114	A602	A602-S604 PolarHBondContact O-N 3.41Å
605	V	80.6	Confident	80.2	Confident	130 Å²	130	91.1 Å²	91.1	79%	0.788	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-50.5	179.3	-177.8	0	0	0	0	110.4	N603	N603-V605 VanDerWaalsContact C-N 3.27Å; N603-V605 PolarHBondContact O-N 3.38Å; N603-V605 WeakPolarHBondContact OD1-CA 3.37Å; N603-V605 WeakPolarHBondContact OD1-CB 3.32Å; N603-V605 PolarHBondContact OD1-N 2.01Å
606	T	83.1	Confident	77.6	Confident	70 Å²	70	93.7 Å²	93.7	43%	0.429	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.6	-177.9	60.8	0	0	0	0	113	N603 K608	N603-T606 WeakPolarHBondContact CB-OG1 3.36Å; N603-T606 PolarHBondContact OD1-N 3.32Å; N603-T606 PolarHBondContact OD1-OG1 2.64Å; T606-K608 WeakPolarHBondContact O-CG 3.45Å; T606-K608 PolarHBondContact O-N 2.03Å
607	R	86.2	Confident	75.1	Confident	108 Å²	108	99.2 Å²	99.2	41%	0.408	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	38.1	-170.1	-60.6	-171.5	-178.4	178.7	2.1	112.5	C580 F585 L586 N603	C580-R607 PolarHBondContact O-NH1 2.9Å; F585-R607 CarbonylContact C-O 3.52Å; F585-R607 WeakPolarHBondContact CA-O 3.36Å; L586-R607 PolarHBondContact N-O 2.02Å; N603-R607 VanDerWaalsContact O-CA 3.24Å; N603-R607 WeakPolarHBondContact O-CA 3.02Å; N603-R607 PolarHBondContact O-N 2.96Å
608	K	88.5	Confident	72.7	Confident	111 Å²	111	101.1 Å²	101.1	48%	0.483	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.8	176.8	-58.1	-166.2	177.8	-174.7	0	110.8	L586 N603 T606 M610	L586-K608 HydrophobicContact CB-CG 4.25Å; L586-K608 CarbonylContact O-C 3.58Å; L586-K608 WeakPolarHBondContact O-CA 3.47Å; N603-K608 PolarHBondContact N-O 3.32Å; T606-K608 WeakPolarHBondContact O-CG 3.45Å; T606-K608 PolarHBondContact O-N 2.03Å; K608-M610 PolarHBondContact O-N 2.82Å
609	C	88.7	Confident	70.4	Confident	9 Å²	9	101.7 Å²	101.7	6%	0.061	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.6	164.8	-66.8	0	0	0	0	108.8	L586 C596 Y600	L586-C609 PolarHBondContact O-N 3.04Å; C596-C609 WeakPolarHBondContact CA-SG 2.94Å; C596-C609 HydrophobicContact CB-CB 3.8Å; C596-C609 WeakPolarHBondContact CB-SG 2.96Å; C596-C609 WeakPolarHBondContact SG-CA 3.37Å; C596-C609 WeakPolarHBondContact SG-CB 3.29Å; C596-C609 CovalentContact SG-SG 2.04Å; C596-C609 PolarHBondContact SG-SG 2.85Å; Y600-C609 HydrophobicContact CD1-CB 4.38Å
610	M	86.5	Confident	68.1	Low	79 Å²	79	102 Å²	102	39%	0.389	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.6	180	-66.7	-172.1	69.3	0	0	109.8	Y600 F601 N603 K608	Y600-M610 CarbonylContact C-O 3.58Å; Y600-M610 WeakPolarHBondContact CA-O 2.94Å; Y600-M610 VanDerWaalsContact CD1-C 3.46Å; F601-M610 HydrophobicContact CD1-CB 4.4Å; F601-M610 VanDerWaalsContact CD1-O 3.29Å; F601-M610 WeakPolarHBondContact CD1-O 3.45Å; F601-M610 HydrophobicContact CE1-CB 3.86Å; F601-M610 HydrophobicContact CE2-CB 4.3Å; F601-M610 HydrophobicContact CZ-CB 3.81Å; F601-M610 PolarHBondContact N-O 3.24Å; F601-M610 PolarHBondContact O-N 2.83Å; N603-M610 HydrophobicContact CB-CG 4.02Å; N603-M610 HydrophobicContact CB-SD 3.73Å; N603-M610 PolarHBondContact ND2-SD 3.41Å; K608-M610 PolarHBondContact O-N 2.82Å
611	K	83.2	Confident	65.6	Low	126 Å²	126	111.2 Å²	111.2	55%	0.548	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-62.2	145.2	176.4	-159.8	172.9	-177	177.3	0	108.3	Y600 A613	Y600-K611 VanDerWaalsContact CD1-CA 3.46Å; Y600-K611 HydrophobicContact CD1-CB 3.91Å; Y600-K611 HydrophobicContact CD1-CG 4.47Å; Y600-K611 HydrophobicContact CE1-CB 3.59Å; Y600-K611 HydrophobicContact CE1-CD 4.5Å; Y600-K611 HydrophobicContact CE1-CG 4.02Å; Y600-K611 HydrophobicContact CE2-CG 4.38Å; K611-A613 PolarHBondContact O-N 2.76Å
612	Y	74	Confident	63.1	Low	153 Å²	153	111.7 Å²	111.7	60%	0.6	59%	0.592	S	S	*	*			trans	-65	86.4	164.8	-62.1	-77.8	0	0	0	108.2	K599 F601	K599-Y612 WeakPolarHBondContact O-CD2 3.47Å; K599-Y612 PolarHBondContact O-N 3.43Å; F601-Y612 HydrophobicContact CB-CD1 4.49Å; F601-Y612 HydrophobicContact CB-CE1 3.69Å; F601-Y612 AromaticContact CD1-CD1 3.71Å; F601-Y612 HydrophobicContact CD1-CD1 3.71Å; F601-Y612 AromaticContact CD1-CE1 3.77Å; F601-Y612 HydrophobicContact CD1-CE1 3.77Å; F601-Y612 HydrophobicContact CD1-CG 4.32Å; F601-Y612 HydrophobicContact CE1-CD1 4.46Å; F601-Y612 HydrophobicContact CG-CD1 4.49Å; F601-Y612 HydrophobicContact CG-CE1 4.09Å
613	A	59.2	Low	60.5	Low	74 Å²	74	113.6 Å²	113.6	61%	0.612	62%	0.616	S	S	*	*			trans	-82.7	132.7	170.6	0	0	0	0	0	108.2	K611 L615	K611-A613 PolarHBondContact O-N 2.76Å; A613-L615 PolarHBondContact O-N 3.06Å
614	L	44.5	Very low	58.2	Low	162 Å²	162	121 Å²	121	85%	0.848	65%	0.647	S	S	*	*			trans	-25.5	86.1	168.8	-75.9	121.8	0	0	0	114.3	M616	L614-M616 VanDerWaalsContact C-N 3.25Å; L614-M616 PolarHBondContact O-N 3.1Å
615	L	42.9	Very low	55.8	Low	123 Å²	123	122.8 Å²	122.8	64%	0.644	65%	0.653	S	S	*	*			trans	-96.7	37.9	169.2	-103.8	155.3	0	0	0	110.3	A613	A613-L615 PolarHBondContact O-N 3.06Å
616	M	37	Very low	53.8	Low	170 Å²	170	123.2 Å²	123.2	84%	0.837	66%	0.655	S	S	*	*			trans	-99.5	10.9	175.7	-89.6	-117.6	-121.2	0	0	113.6	L614	L614-M616 VanDerWaalsContact C-N 3.25Å; L614-M616 PolarHBondContact O-N 3.1Å
617	T	35.1	Very low	51.5	Low	134 Å²	134	127.7 Å²	127.7	82%	0.822	67%	0.671	S	S	*	*	S	Bend	trans	-126.5	7.9	-175.7	41.1	0	0	0	0	116.2
618	S	35.9	Very low	48.8	Very low	91 Å²	91	130.1 Å²	130.1	64%	0.636	69%	0.692	S	S	*	*	S	Bend	trans	-133.1	6.2	176.5	73.8	0	0	0	0	116.8
619	L	36.6	Very low	46	Very low	129 Å²	129	130.5 Å²	130.5	68%	0.675	71%	0.707	S	S	*	*	S	Bend	trans	-107.8	6.1	-179.5	-86.1	157.6	0	0	0	115	R621	L619-R621 VanDerWaalsContact C-N 3.28Å; L619-R621 PolarHBondContact O-N 3.07Å
620	L	35.3	Very low	43.2	Very low	168 Å²	168	138.2 Å²	138.2	88%	0.88	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	14.7	175.5	-83.7	162.6	0	0	0	114.5
621	R	35.7	Very low	40.7	Very low	246 Å²	246	139.4 Å²	139.4	93%	0.928	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	6.2	-174.6	-84.6	-169.6	179.2	-170.3	1	117.9	L619	L619-R621 VanDerWaalsContact C-N 3.28Å; L619-R621 PolarHBondContact O-N 3.07Å
622	S	36.6	Very low	38.2	Very low	85 Å²	85	139.3 Å²	139.3	59%	0.594	78%	0.776	S	S	*	*			trans	-144	105.9	172.3	51.7	0	0	0	0	111.2	F624	S622-F624 PolarHBondContact O-N 2.79Å
623	G	34.1	Very low	36.2	Very low	85 Å²	85	137.3 Å²	137.3	88%	0.876	77%	0.772	S	S	*	*			trans	-67.8	84	179.7	0	0	0	0	0	113.5
624	F	36.7	Very low	35.2	Very low	191 Å²	191	139.4 Å²	139.4	84%	0.838	78%	0.779	S	S	*	*			trans	-128	117.8	162.8	-87.9	-84.9	0	0	0	110.3	S622	S622-F624 PolarHBondContact O-N 2.79Å
625	V	32.4	Very low	34.8	Very low	135 Å²	135	135.8 Å²	135.8	82%	0.818	77%	0.773	S	S	*	*			trans	-71.7	125.9	168.6	173.9	0	0	0	0	108.5
626	V	37	Very low	34.4	Very low	138 Å²	138	136.3 Å²	136.3	84%	0.836	78%	0.784	S	S	*	*			trans	-136.4	116.6	156.8	-178	0	0	0	0	109
627	Q	35.1	Very low	34.4	Very low	164 Å²	164	132.4 Å²	132.4	77%	0.766	79%	0.787	S	S	*	*			trans	-88.2	158.6	169	-170.6	172.8	1.7	0	0	109.4
628	L	30.9	Very low	34.4	Very low	159 Å²	159	131 Å²	131	83%	0.832	78%	0.782	S	S	*	*			trans	113.3	127	166.5	-66.8	150.2	0	0	0	113.3
629	C	29.8	Very low	34.2	Very low	120 Å²	120	131.8 Å²	131.8	81%	0.811	79%	0.788	S	S	*	*			cis	-147.5	144.9	21.3	-93	0	0	0	0	112.4
630	K	30	Very low	34.1	Very low	170 Å²	170	132.8 Å²	132.8	74%	0.739	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-102.7	132.1	162.5	-159.6	173.7	-169	163.3	0	106.5
631	A	33.8	Very low	34.1	Very low	104 Å²	104	129.5 Å²	129.5	86%	0.86	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-92.7	131.6	169.3	0	0	0	0	0	110.2
632	C	29.8	Very low	33.7	Very low	125 Å²	125	127.2 Å²	127.2	85%	0.845	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82	151.9	178.5	-63.6	0	0	0	0	112.2
633	H	32.2	Very low	33.3	Very low	110 Å²	110	128 Å²	128	51%	0.509	79%	0.786	S	S	.	*	P	Polyproline II helix	trans	-82.1	154.6	161.1	-102.2	-78.2	0	0	0	111.6	C643	H633-C643 VanDerWaalsContact CD2-CB 3.46Å; H633-C643 WeakPolarHBondContact CD2-CB 3.26Å; H633-C643 PolarHBondContact CD2-O 3.45Å; H633-C643 VanDerWaalsContact CD2-O 3.26Å; H633-C643 PolarHBondContact CE1-N 2.73Å; H633-C643 WeakPolarHBondContact NE2-CA 3.49Å; H633-C643 WeakPolarHBondContact NE2-CB 3.32Å; H633-C643 PolarHBondContact NE2-N 3.39Å
634	P	38.4	Very low	33.2	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-99.2	158.1	152.7	29.1	-15.3	0	0	0	112.8
635	A	35.1	Very low	32.8	Very low	85 Å²	85	126.4 Å²	126.4	70%	0.702	78%	0.776	S	S	*	*			trans	-84.3	-178.7	-161.6	0	0	0	0	0	115.2
636	P	35.9	Very low	32.6	Very low	135 Å²	135	127.5 Å²	127.5	88%	0.877	78%	0.777	S	S	*	*	S	Bend	trans	-81.3	138.4	-159.9	33.9	-33.4	0	0	0	113.7
637	G	36.2	Very low	32.2	Very low	88 Å²	88	126.9 Å²	126.9	91%	0.907	77%	0.773	S	S	*	*	S	Bend	trans	151.3	-14.2	-179.2	0	0	0	0	0	113.3
638	S	35.8	Very low	32	Very low	103 Å²	103	125.7 Å²	125.7	72%	0.72	77%	0.771	S	S	*	*	S	Bend	trans	-113.3	134	169.1	57.3	0	0	0	0	110.3	N640	S638-N640 PolarHBondContact O-N 2.86Å
639	S	31.9	Very low	32	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	79%	0.79	S	S	*	*	S	Bend	trans	-56.8	128.7	177	47.9	0	0	0	0	111.8
640	N	33.6	Very low	32.2	Very low	149 Å²	149	131.3 Å²	131.3	80%	0.797	79%	0.789	S	S	*	*	S	Bend	trans	104.9	100.3	163.7	-59.1	-16.1	0	0	0	118.6	S638	S638-N640 PolarHBondContact O-N 2.86Å
641	S	34.3	Very low	32.3	Very low	99 Å²	99	129.3 Å²	129.3	69%	0.692	79%	0.792	S	S	*	*			trans	70	99.9	136.6	54	0	0	0	0	122.5
642	F	27.6	Very low	32.2	Very low	198 Å²	198	130.7 Å²	130.7	87%	0.868	79%	0.788	S	S	*	*			trans	12.3	128	140.4	-73.6	-93.2	0	0	0	122.8
643	C	29.2	Very low	32.3	Very low	101 Å²	101	131 Å²	131	68%	0.682	78%	0.784	S	S	*	*				-142.3	129.1	126.2	-71.1	0	0	0	0	110.5	H633	H633-C643 VanDerWaalsContact CD2-CB 3.46Å; H633-C643 WeakPolarHBondContact CD2-CB 3.26Å; H633-C643 PolarHBondContact CD2-O 3.45Å; H633-C643 VanDerWaalsContact CD2-O 3.26Å; H633-C643 PolarHBondContact CE1-N 2.73Å; H633-C643 WeakPolarHBondContact NE2-CA 3.49Å; H633-C643 WeakPolarHBondContact NE2-CB 3.32Å; H633-C643 PolarHBondContact NE2-N 3.39Å
644	G	31.3	Very low	32.3	Very low	75 Å²	75	132.3 Å²	132.3	77%	0.773	80%	0.802	S	S	*	*			trans	-123.2	148.2	171.7	0	0	0	0	0	111.6
645	K	28.5	Very low	31.9	Very low	169 Å²	169	133.2 Å²	133.2	74%	0.735	80%	0.804	S	S	*	*			trans	-67	148.2	-177.4	-90	167	160.9	176.2	0	113.8
646	L	27.4	Very low	31.7	Very low	157 Å²	157	136.6 Å²	136.6	82%	0.822	81%	0.811	S	S	*	*			trans	-103.6	129.7	150.9	-142.2	93.5	0	0	0	108.5	I648	L646-I648 HydrophobicContact CD2-CD1 4.33Å; L646-I648 HydrophobicContact CD2-CG1 4Å
647	V	29.9	Very low	31.4	Very low	125 Å²	125	136.8 Å²	136.8	76%	0.758	81%	0.806	S	S	*	*			trans	-114.6	131.7	161.5	173.2	0	0	0	0	105.1
648	I	30	Very low	31	Very low	140 Å²	140	140.8 Å²	140.8	72%	0.718	80%	0.797	S	S	*	*			trans	-103.7	136.6	170.8	-53.8	176.8	0	0	0	105.7	L646	L646-I648 HydrophobicContact CD2-CD1 4.33Å; L646-I648 HydrophobicContact CD2-CG1 4Å
649	E	32.5	Very low	30.5	Very low	265 Å²	265	144.3 Å²	144.3	100%	1.238	80%	0.804	S	S	*	*			trans	-60.5	0	166.2	-79.8	-175.2	150.3	0	0	112.6

Retrieved 649 of 649 residues in 839.7 ms (Link to these results)

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